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 170:sc= 0 USER MOD Single : A 9 SER OG : rot -63:sc= 0.918 USER MOD Single : A 10 SER OG : rot 80:sc= 1.2 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+ -177:sc= 0 (180deg=-0.00535) USER MOD Single : A 20 LYS NZ :NH3+ -162:sc= 1.23 (180deg=1.16) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N ASP A 3 35.045 17.197 16.778 1.00 10.00 N ATOM 19 CA ASP A 3 35.005 18.247 17.866 1.00 10.00 C ATOM 20 C ASP A 3 35.969 19.438 17.689 1.00 10.00 C ATOM 21 O ASP A 3 35.612 20.525 18.227 1.00 10.00 O ATOM 22 CB ASP A 3 35.327 17.523 19.176 1.00 10.00 C ATOM 23 CG ASP A 3 35.274 18.307 20.499 1.00 10.00 C ATOM 24 OD1 ASP A 3 34.543 19.362 20.494 1.00 10.00 O ATOM 25 OD2 ASP A 3 35.868 17.871 21.525 1.00 10.00 O ATOM 0 HA ASP A 3 34.014 18.701 17.841 1.00 10.00 H new ATOM 0 HB2 ASP A 3 34.638 16.683 19.265 1.00 10.00 H new ATOM 0 HB3 ASP A 3 36.329 17.105 19.082 1.00 10.00 H new ATOM 30 N ALA A 4 37.015 19.335 16.846 1.00 10.00 N ATOM 31 CA ALA A 4 37.849 20.400 16.410 1.00 10.00 C ATOM 32 C ALA A 4 37.152 21.607 15.649 1.00 10.00 C ATOM 33 O ALA A 4 37.659 22.759 15.780 1.00 10.00 O ATOM 34 CB ALA A 4 38.940 19.742 15.536 1.00 10.00 C ATOM 0 H ALA A 4 37.291 18.439 16.444 1.00 10.00 H new ATOM 0 HA ALA A 4 38.234 20.900 17.299 1.00 10.00 H new ATOM 0 HB1 ALA A 4 39.620 20.509 15.165 1.00 10.00 H new ATOM 0 HB2 ALA A 4 39.497 19.020 16.132 1.00 10.00 H new ATOM 0 HB3 ALA A 4 38.473 19.233 14.693 1.00 10.00 H new ATOM 40 N ALA A 5 36.015 21.354 14.956 1.00 10.00 N ATOM 41 CA ALA A 5 35.176 22.397 14.487 1.00 10.00 C ATOM 42 C ALA A 5 34.342 23.139 15.589 1.00 10.00 C ATOM 43 O ALA A 5 33.731 24.152 15.314 1.00 10.00 O ATOM 44 CB ALA A 5 34.161 21.845 13.434 1.00 10.00 C ATOM 0 H ALA A 5 35.687 20.416 14.726 1.00 10.00 H new ATOM 0 HA ALA A 5 35.871 23.122 14.063 1.00 10.00 H new ATOM 0 HB1 ALA A 5 33.524 22.656 13.083 1.00 10.00 H new ATOM 0 HB2 ALA A 5 34.706 21.421 12.591 1.00 10.00 H new ATOM 0 HB3 ALA A 5 33.545 21.072 13.893 1.00 10.00 H new ATOM 50 N VAL A 6 34.305 22.608 16.881 1.00 10.00 N ATOM 51 CA VAL A 6 33.866 23.334 18.102 1.00 10.00 C ATOM 52 C VAL A 6 35.126 23.652 19.045 1.00 10.00 C ATOM 53 O VAL A 6 35.046 23.712 20.305 1.00 10.00 O ATOM 54 CB VAL A 6 32.878 22.394 18.732 1.00 10.00 C ATOM 55 CG1 VAL A 6 32.081 23.067 19.844 1.00 10.00 C ATOM 56 CG2 VAL A 6 31.873 21.788 17.727 1.00 10.00 C ATOM 0 H VAL A 6 34.589 21.648 17.078 1.00 10.00 H new ATOM 0 HA VAL A 6 33.417 24.308 17.905 1.00 10.00 H new ATOM 0 HB VAL A 6 33.492 21.590 19.138 1.00 10.00 H new ATOM 0 HG11 VAL A 6 31.379 22.352 20.272 1.00 10.00 H new ATOM 0 HG12 VAL A 6 32.762 23.416 20.620 1.00 10.00 H new ATOM 0 HG13 VAL A 6 31.532 23.915 19.436 1.00 10.00 H new ATOM 0 HG21 VAL A 6 31.191 21.120 18.253 1.00 10.00 H new ATOM 0 HG22 VAL A 6 31.304 22.588 17.254 1.00 10.00 H new ATOM 0 HG23 VAL A 6 32.414 21.228 16.964 1.00 10.00 H new ATOM 66 N ASP A 7 36.217 23.701 18.324 1.00 10.00 N ATOM 67 CA ASP A 7 37.565 23.932 18.894 1.00 10.00 C ATOM 68 C ASP A 7 38.015 22.962 20.019 1.00 10.00 C ATOM 69 O ASP A 7 38.768 23.395 20.874 1.00 10.00 O ATOM 70 CB ASP A 7 37.875 25.407 19.148 1.00 10.00 C ATOM 71 CG ASP A 7 39.345 25.630 19.282 1.00 10.00 C ATOM 72 OD1 ASP A 7 40.171 25.523 18.381 1.00 10.00 O ATOM 73 OD2 ASP A 7 39.791 25.992 20.401 1.00 10.00 O ATOM 0 H ASP A 7 36.219 23.583 17.311 1.00 10.00 H new ATOM 0 HA ASP A 7 38.232 23.637 18.084 1.00 10.00 H new ATOM 0 HB2 ASP A 7 37.485 26.010 18.328 1.00 10.00 H new ATOM 0 HB3 ASP A 7 37.369 25.737 20.055 1.00 10.00 H new ATOM 78 N THR A 8 37.502 21.735 19.961 1.00 10.00 N ATOM 79 CA THR A 8 37.811 20.657 20.924 1.00 10.00 C ATOM 80 C THR A 8 37.213 21.035 22.275 1.00 10.00 C ATOM 81 O THR A 8 37.936 21.459 23.197 1.00 10.00 O ATOM 82 CB THR A 8 39.280 20.262 21.002 1.00 10.00 C ATOM 83 OG1 THR A 8 40.003 20.170 19.749 1.00 10.00 O ATOM 84 CG2 THR A 8 39.515 18.907 21.617 1.00 10.00 C ATOM 0 H THR A 8 36.847 21.447 19.234 1.00 10.00 H new ATOM 0 HA THR A 8 37.347 19.740 20.559 1.00 10.00 H new ATOM 0 HB THR A 8 39.646 21.095 21.602 1.00 10.00 H new ATOM 0 HG1 THR A 8 40.961 20.070 19.931 1.00 10.00 H new ATOM 0 HG21 THR A 8 40.584 18.697 21.637 1.00 10.00 H new ATOM 0 HG22 THR A 8 39.124 18.896 22.634 1.00 10.00 H new ATOM 0 HG23 THR A 8 39.007 18.146 21.025 1.00 10.00 H new ATOM 92 N SER A 9 35.892 20.861 22.411 1.00 10.00 N ATOM 93 CA SER A 9 35.145 21.048 23.676 1.00 10.00 C ATOM 94 C SER A 9 35.533 20.048 24.759 1.00 10.00 C ATOM 95 O SER A 9 35.324 20.224 25.968 1.00 10.00 O ATOM 96 CB SER A 9 33.612 21.091 23.460 1.00 10.00 C ATOM 97 OG SER A 9 33.196 19.803 22.960 1.00 10.00 O ATOM 0 H SER A 9 35.295 20.581 21.633 1.00 10.00 H new ATOM 0 HA SER A 9 35.445 22.029 24.044 1.00 10.00 H new ATOM 0 HB2 SER A 9 33.102 21.320 24.396 1.00 10.00 H new ATOM 0 HB3 SER A 9 33.349 21.878 22.753 1.00 10.00 H new ATOM 0 HG SER A 9 33.619 19.637 22.092 1.00 10.00 H new ATOM 103 N SER A 10 36.143 18.955 24.280 1.00 10.00 N ATOM 104 CA SER A 10 36.663 17.923 25.198 1.00 10.00 C ATOM 105 C SER A 10 37.910 18.424 25.949 1.00 10.00 C ATOM 106 O SER A 10 38.248 17.870 27.016 1.00 10.00 O ATOM 107 CB SER A 10 37.007 16.677 24.371 1.00 10.00 C ATOM 108 OG SER A 10 35.947 16.278 23.583 1.00 10.00 O ATOM 0 H SER A 10 36.288 18.762 23.289 1.00 10.00 H new ATOM 0 HA SER A 10 35.906 17.687 25.946 1.00 10.00 H new ATOM 0 HB2 SER A 10 37.871 16.886 23.740 1.00 10.00 H new ATOM 0 HB3 SER A 10 37.290 15.864 25.039 1.00 10.00 H new ATOM 0 HG SER A 10 35.906 16.840 22.781 1.00 10.00 H new ATOM 114 N GLU A 11 38.524 19.572 25.537 1.00 10.00 N ATOM 115 CA GLU A 11 39.579 20.221 26.390 1.00 10.00 C ATOM 116 C GLU A 11 38.944 21.122 27.463 1.00 10.00 C ATOM 117 O GLU A 11 39.304 21.068 28.687 1.00 10.00 O ATOM 118 CB GLU A 11 40.642 20.862 25.510 1.00 10.00 C ATOM 119 CG GLU A 11 41.587 20.026 24.596 1.00 10.00 C ATOM 120 CD GLU A 11 42.755 21.015 24.058 1.00 10.00 C ATOM 121 OE1 GLU A 11 43.629 21.354 24.919 1.00 10.00 O ATOM 122 OE2 GLU A 11 42.831 21.487 22.914 1.00 10.00 O ATOM 0 H GLU A 11 38.323 20.053 24.661 1.00 10.00 H new ATOM 0 HA GLU A 11 40.119 19.474 26.972 1.00 10.00 H new ATOM 0 HB2 GLU A 11 40.125 21.569 24.861 1.00 10.00 H new ATOM 0 HB3 GLU A 11 41.283 21.446 26.170 1.00 10.00 H new ATOM 0 HG2 GLU A 11 42.017 19.193 25.151 1.00 10.00 H new ATOM 0 HG3 GLU A 11 41.032 19.600 23.760 1.00 10.00 H new ATOM 129 N ILE A 12 38.044 22.025 27.099 1.00 10.00 N ATOM 130 CA ILE A 12 37.467 23.103 27.919 1.00 10.00 C ATOM 131 C ILE A 12 36.238 22.804 28.807 1.00 10.00 C ATOM 132 O ILE A 12 35.804 23.537 29.690 1.00 10.00 O ATOM 133 CB ILE A 12 37.048 24.301 26.960 1.00 10.00 C ATOM 134 CG1 ILE A 12 35.804 24.075 26.184 1.00 10.00 C ATOM 135 CG2 ILE A 12 38.231 24.743 26.068 1.00 10.00 C ATOM 136 CD1 ILE A 12 34.568 24.814 26.595 1.00 10.00 C ATOM 0 H ILE A 12 37.664 22.031 26.153 1.00 10.00 H new ATOM 0 HA ILE A 12 38.271 23.311 28.625 1.00 10.00 H new ATOM 0 HB ILE A 12 36.794 25.128 27.623 1.00 10.00 H new ATOM 0 HG12 ILE A 12 36.011 24.325 25.144 1.00 10.00 H new ATOM 0 HG13 ILE A 12 35.580 23.009 26.217 1.00 10.00 H new ATOM 0 HG21 ILE A 12 37.914 25.563 25.424 1.00 10.00 H new ATOM 0 HG22 ILE A 12 39.057 25.074 26.697 1.00 10.00 H new ATOM 0 HG23 ILE A 12 38.557 23.904 25.454 1.00 10.00 H new ATOM 0 HD11 ILE A 12 33.745 24.543 25.933 1.00 10.00 H new ATOM 0 HD12 ILE A 12 34.310 24.550 27.621 1.00 10.00 H new ATOM 0 HD13 ILE A 12 34.747 25.887 26.531 1.00 10.00 H new ATOM 148 N THR A 13 35.559 21.663 28.585 1.00 10.00 N ATOM 149 CA THR A 13 34.370 21.059 29.260 1.00 10.00 C ATOM 150 C THR A 13 34.287 21.347 30.748 1.00 10.00 C ATOM 151 O THR A 13 33.164 21.472 31.218 1.00 10.00 O ATOM 152 CB THR A 13 34.243 19.583 28.928 1.00 10.00 C ATOM 153 OG1 THR A 13 33.332 18.908 29.687 1.00 10.00 O ATOM 154 CG2 THR A 13 35.574 18.833 28.940 1.00 10.00 C ATOM 0 H THR A 13 35.865 21.053 27.827 1.00 10.00 H new ATOM 0 HA THR A 13 33.496 21.562 28.847 1.00 10.00 H new ATOM 0 HB THR A 13 33.868 19.601 27.905 1.00 10.00 H new ATOM 0 HG1 THR A 13 33.309 17.968 29.411 1.00 10.00 H new ATOM 0 HG21 THR A 13 35.403 17.785 28.694 1.00 10.00 H new ATOM 0 HG22 THR A 13 36.247 19.274 28.204 1.00 10.00 H new ATOM 0 HG23 THR A 13 36.023 18.905 29.931 1.00 10.00 H new ATOM 162 N THR A 14 35.334 21.454 31.553 1.00 10.00 N ATOM 163 CA THR A 14 35.079 21.619 33.064 1.00 10.00 C ATOM 164 C THR A 14 34.357 22.873 33.277 1.00 10.00 C ATOM 165 O THR A 14 33.423 22.820 33.989 1.00 10.00 O ATOM 166 CB THR A 14 36.257 21.459 33.952 1.00 10.00 C ATOM 167 OG1 THR A 14 37.090 20.467 33.412 1.00 10.00 O ATOM 168 CG2 THR A 14 35.553 21.003 35.250 1.00 10.00 C ATOM 0 H THR A 14 36.312 21.437 31.263 1.00 10.00 H new ATOM 0 HA THR A 14 34.466 20.773 33.375 1.00 10.00 H new ATOM 0 HB THR A 14 36.896 22.331 34.092 1.00 10.00 H new ATOM 0 HG1 THR A 14 37.875 20.350 33.987 1.00 10.00 H new ATOM 0 HG21 THR A 14 36.298 20.836 36.028 1.00 10.00 H new ATOM 0 HG22 THR A 14 34.854 21.774 35.575 1.00 10.00 H new ATOM 0 HG23 THR A 14 35.010 20.077 35.063 1.00 10.00 H new ATOM 176 N LYS A 15 34.701 23.981 32.508 1.00 10.00 N ATOM 177 CA LYS A 15 33.965 25.262 32.363 1.00 10.00 C ATOM 178 C LYS A 15 32.534 25.170 31.999 1.00 10.00 C ATOM 179 O LYS A 15 31.709 25.816 32.649 1.00 10.00 O ATOM 180 CB LYS A 15 34.723 26.076 31.258 1.00 10.00 C ATOM 181 CG LYS A 15 36.266 26.177 31.497 1.00 10.00 C ATOM 182 CD LYS A 15 36.998 27.258 30.730 1.00 10.00 C ATOM 183 CE LYS A 15 36.408 28.608 31.029 1.00 10.00 C ATOM 184 NZ LYS A 15 37.193 29.717 30.546 1.00 10.00 N ATOM 0 H LYS A 15 35.554 23.979 31.949 1.00 10.00 H new ATOM 0 HA LYS A 15 33.951 25.730 33.347 1.00 10.00 H new ATOM 0 HB2 LYS A 15 34.544 25.610 30.289 1.00 10.00 H new ATOM 0 HB3 LYS A 15 34.305 27.082 31.210 1.00 10.00 H new ATOM 0 HG2 LYS A 15 36.437 26.338 32.561 1.00 10.00 H new ATOM 0 HG3 LYS A 15 36.714 25.216 31.244 1.00 10.00 H new ATOM 0 HD2 LYS A 15 38.055 27.249 30.997 1.00 10.00 H new ATOM 0 HD3 LYS A 15 36.938 27.057 29.660 1.00 10.00 H new ATOM 0 HE2 LYS A 15 35.413 28.663 30.588 1.00 10.00 H new ATOM 0 HE3 LYS A 15 36.285 28.707 32.107 1.00 10.00 H new ATOM 0 HZ1 LYS A 15 36.720 30.610 30.791 1.00 10.00 H new ATOM 0 HZ2 LYS A 15 38.135 29.692 30.985 1.00 10.00 H new ATOM 0 HZ3 LYS A 15 37.291 29.649 29.513 1.00 10.00 H new ATOM 198 N ASP A 16 32.132 24.335 31.051 1.00 10.00 N ATOM 199 CA ASP A 16 30.751 24.034 30.613 1.00 10.00 C ATOM 200 C ASP A 16 30.061 23.214 31.729 1.00 10.00 C ATOM 201 O ASP A 16 28.873 23.465 31.951 1.00 10.00 O ATOM 202 CB ASP A 16 30.764 23.234 29.319 1.00 10.00 C ATOM 203 CG ASP A 16 29.396 23.033 28.758 1.00 10.00 C ATOM 204 OD1 ASP A 16 28.741 22.013 29.116 1.00 10.00 O ATOM 205 OD2 ASP A 16 29.047 23.831 27.921 1.00 10.00 O ATOM 0 H ASP A 16 32.813 23.798 30.514 1.00 10.00 H new ATOM 0 HA ASP A 16 30.211 24.963 30.431 1.00 10.00 H new ATOM 0 HB2 ASP A 16 31.383 23.748 28.584 1.00 10.00 H new ATOM 0 HB3 ASP A 16 31.225 22.263 29.500 1.00 10.00 H new ATOM 210 N LEU A 17 30.738 22.371 32.481 1.00 10.00 N ATOM 211 CA LEU A 17 30.107 21.667 33.580 1.00 10.00 C ATOM 212 C LEU A 17 29.809 22.567 34.772 1.00 10.00 C ATOM 213 O LEU A 17 28.689 22.508 35.332 1.00 10.00 O ATOM 214 CB LEU A 17 30.804 20.372 33.975 1.00 10.00 C ATOM 215 CG LEU A 17 30.610 19.349 32.817 1.00 10.00 C ATOM 216 CD1 LEU A 17 31.602 18.184 33.057 1.00 10.00 C ATOM 217 CD2 LEU A 17 29.224 18.684 32.938 1.00 10.00 C ATOM 0 H LEU A 17 31.727 22.156 32.352 1.00 10.00 H new ATOM 0 HA LEU A 17 29.140 21.353 33.186 1.00 10.00 H new ATOM 0 HB2 LEU A 17 31.865 20.549 34.153 1.00 10.00 H new ATOM 0 HB3 LEU A 17 30.386 19.982 34.903 1.00 10.00 H new ATOM 0 HG LEU A 17 30.740 19.862 31.864 1.00 10.00 H new ATOM 0 HD11 LEU A 17 31.495 17.445 32.263 1.00 10.00 H new ATOM 0 HD12 LEU A 17 32.622 18.569 33.059 1.00 10.00 H new ATOM 0 HD13 LEU A 17 31.389 17.717 34.018 1.00 10.00 H new ATOM 0 HD21 LEU A 17 29.091 17.969 32.126 1.00 10.00 H new ATOM 0 HD22 LEU A 17 29.151 18.165 33.894 1.00 10.00 H new ATOM 0 HD23 LEU A 17 28.448 19.447 32.879 1.00 10.00 H new ATOM 229 N LYS A 18 30.671 23.522 35.110 1.00 10.00 N ATOM 230 CA LYS A 18 30.351 24.657 35.964 1.00 10.00 C ATOM 231 C LYS A 18 29.090 25.400 35.451 1.00 10.00 C ATOM 232 O LYS A 18 28.546 26.157 36.307 1.00 10.00 O ATOM 233 CB LYS A 18 31.563 25.614 36.086 1.00 10.00 C ATOM 234 CG LYS A 18 32.607 25.464 37.165 1.00 10.00 C ATOM 235 CD LYS A 18 33.517 24.220 37.097 1.00 10.00 C ATOM 236 CE LYS A 18 34.613 24.259 38.160 1.00 10.00 C ATOM 237 NZ LYS A 18 35.675 25.172 37.839 1.00 10.00 N ATOM 0 H LYS A 18 31.638 23.526 34.787 1.00 10.00 H new ATOM 0 HA LYS A 18 30.126 24.280 36.962 1.00 10.00 H new ATOM 0 HB2 LYS A 18 32.091 25.573 35.133 1.00 10.00 H new ATOM 0 HB3 LYS A 18 31.157 26.621 36.182 1.00 10.00 H new ATOM 0 HG2 LYS A 18 33.243 26.349 37.145 1.00 10.00 H new ATOM 0 HG3 LYS A 18 32.098 25.458 38.129 1.00 10.00 H new ATOM 0 HD2 LYS A 18 32.914 23.321 37.229 1.00 10.00 H new ATOM 0 HD3 LYS A 18 33.972 24.156 36.108 1.00 10.00 H new ATOM 0 HE2 LYS A 18 34.174 24.543 39.116 1.00 10.00 H new ATOM 0 HE3 LYS A 18 35.027 23.258 38.284 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 36.412 25.118 38.570 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 36.083 24.919 36.916 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 35.299 26.141 37.798 1.00 10.00 H new ATOM 251 N GLU A 19 28.831 25.409 34.185 1.00 10.00 N ATOM 252 CA GLU A 19 27.542 25.870 33.706 1.00 10.00 C ATOM 253 C GLU A 19 26.527 24.847 34.129 1.00 10.00 C ATOM 254 O GLU A 19 25.585 25.211 34.856 1.00 10.00 O ATOM 255 CB GLU A 19 27.436 26.138 32.231 1.00 10.00 C ATOM 256 CG GLU A 19 27.331 27.638 31.917 1.00 10.00 C ATOM 257 CD GLU A 19 27.177 28.115 30.490 1.00 10.00 C ATOM 258 OE1 GLU A 19 26.800 27.247 29.634 1.00 10.00 O ATOM 259 OE2 GLU A 19 27.591 29.199 30.120 1.00 10.00 O ATOM 0 H GLU A 19 29.480 25.108 33.458 1.00 10.00 H new ATOM 0 HA GLU A 19 27.372 26.852 34.148 1.00 10.00 H new ATOM 0 HB2 GLU A 19 28.308 25.723 31.725 1.00 10.00 H new ATOM 0 HB3 GLU A 19 26.562 25.624 31.832 1.00 10.00 H new ATOM 0 HG2 GLU A 19 26.481 28.026 32.479 1.00 10.00 H new ATOM 0 HG3 GLU A 19 28.224 28.114 32.321 1.00 10.00 H new ATOM 266 N LYS A 20 26.601 23.588 33.657 1.00 10.00 N ATOM 267 CA LYS A 20 25.551 22.610 33.883 1.00 10.00 C ATOM 268 C LYS A 20 25.188 22.381 35.353 1.00 10.00 C ATOM 269 O LYS A 20 24.122 21.897 35.656 1.00 10.00 O ATOM 270 CB LYS A 20 25.803 21.243 33.255 1.00 10.00 C ATOM 271 CG LYS A 20 25.975 21.222 31.761 1.00 10.00 C ATOM 272 CD LYS A 20 24.916 22.053 30.962 1.00 10.00 C ATOM 273 CE LYS A 20 24.993 21.683 29.436 1.00 10.00 C ATOM 274 NZ LYS A 20 26.043 22.402 28.722 1.00 10.00 N ATOM 0 H LYS A 20 27.389 23.235 33.114 1.00 10.00 H new ATOM 0 HA LYS A 20 24.713 23.090 33.377 1.00 10.00 H new ATOM 0 HB2 LYS A 20 26.697 20.817 33.709 1.00 10.00 H new ATOM 0 HB3 LYS A 20 24.971 20.588 33.514 1.00 10.00 H new ATOM 0 HG2 LYS A 20 26.969 21.599 31.519 1.00 10.00 H new ATOM 0 HG3 LYS A 20 25.935 20.187 31.420 1.00 10.00 H new ATOM 0 HD2 LYS A 20 23.916 21.850 31.345 1.00 10.00 H new ATOM 0 HD3 LYS A 20 25.099 23.119 31.097 1.00 10.00 H new ATOM 0 HE2 LYS A 20 25.164 20.611 29.337 1.00 10.00 H new ATOM 0 HE3 LYS A 20 24.032 21.897 28.968 1.00 10.00 H new ATOM 0 HZ1 LYS A 20 25.859 22.360 27.699 1.00 10.00 H new ATOM 0 HZ2 LYS A 20 26.055 23.395 29.031 1.00 10.00 H new ATOM 0 HZ3 LYS A 20 26.964 21.964 28.926 1.00 10.00 H new ATOM 288 N LYS A 21 26.141 22.492 36.286 1.00 10.00 N ATOM 289 CA LYS A 21 25.918 22.242 37.776 1.00 10.00 C ATOM 290 C LYS A 21 25.479 23.548 38.543 1.00 10.00 C ATOM 291 O LYS A 21 25.005 23.466 39.674 1.00 10.00 O ATOM 292 CB LYS A 21 27.189 21.520 38.322 1.00 10.00 C ATOM 293 CG LYS A 21 27.224 20.107 37.785 1.00 10.00 C ATOM 294 CD LYS A 21 26.264 19.144 38.471 1.00 10.00 C ATOM 295 CE LYS A 21 26.720 17.805 37.936 1.00 10.00 C ATOM 296 NZ LYS A 21 26.193 16.730 38.795 1.00 10.00 N ATOM 0 H LYS A 21 27.101 22.756 36.063 1.00 10.00 H new ATOM 0 HA LYS A 21 25.068 21.582 37.950 1.00 10.00 H new ATOM 0 HB2 LYS A 21 28.087 22.059 38.020 1.00 10.00 H new ATOM 0 HB3 LYS A 21 27.176 21.508 39.412 1.00 10.00 H new ATOM 0 HG2 LYS A 21 26.994 20.131 36.720 1.00 10.00 H new ATOM 0 HG3 LYS A 21 28.238 19.720 37.883 1.00 10.00 H new ATOM 0 HD2 LYS A 21 26.341 19.196 39.557 1.00 10.00 H new ATOM 0 HD3 LYS A 21 25.225 19.353 38.215 1.00 10.00 H new ATOM 0 HE2 LYS A 21 26.370 17.672 36.912 1.00 10.00 H new ATOM 0 HE3 LYS A 21 27.809 17.763 37.909 1.00 10.00 H new ATOM 0 HZ1 LYS A 21 26.506 15.808 38.429 1.00 10.00 H new ATOM 0 HZ2 LYS A 21 26.547 16.855 39.765 1.00 10.00 H new ATOM 0 HZ3 LYS A 21 25.154 16.767 38.799 1.00 10.00 H new ATOM 310 N GLU A 22 25.652 24.674 37.805 1.00 10.00 N ATOM 311 CA GLU A 22 25.016 25.991 38.190 1.00 10.00 C ATOM 312 C GLU A 22 23.619 26.105 37.595 1.00 10.00 C ATOM 313 O GLU A 22 22.668 26.393 38.356 1.00 10.00 O ATOM 314 CB GLU A 22 25.924 27.251 37.914 1.00 10.00 C ATOM 315 CG GLU A 22 25.371 28.474 38.670 1.00 10.00 C ATOM 316 CD GLU A 22 26.402 29.618 38.677 1.00 10.00 C ATOM 317 OE1 GLU A 22 27.460 29.500 39.364 1.00 10.00 O ATOM 318 OE2 GLU A 22 26.080 30.635 37.988 1.00 10.00 O ATOM 0 H GLU A 22 26.213 24.713 36.954 1.00 10.00 H new ATOM 0 HA GLU A 22 24.912 25.987 39.275 1.00 10.00 H new ATOM 0 HB2 GLU A 22 26.947 27.049 38.231 1.00 10.00 H new ATOM 0 HB3 GLU A 22 25.957 27.459 36.844 1.00 10.00 H new ATOM 0 HG2 GLU A 22 24.448 28.812 38.200 1.00 10.00 H new ATOM 0 HG3 GLU A 22 25.123 28.194 39.694 1.00 10.00 H new ATOM 325 N VAL A 23 23.405 26.033 36.287 1.00 10.00 N ATOM 326 CA VAL A 23 22.063 25.882 35.668 1.00 10.00 C ATOM 327 C VAL A 23 21.224 24.823 36.314 1.00 10.00 C ATOM 328 O VAL A 23 20.008 24.972 36.477 1.00 10.00 O ATOM 329 CB VAL A 23 22.146 25.662 34.128 1.00 10.00 C ATOM 330 CG1 VAL A 23 22.208 24.180 33.755 1.00 10.00 C ATOM 331 CG2 VAL A 23 20.942 26.179 33.368 1.00 10.00 C ATOM 0 H VAL A 23 24.160 26.077 35.603 1.00 10.00 H new ATOM 0 HA VAL A 23 21.559 26.832 35.847 1.00 10.00 H new ATOM 0 HB VAL A 23 23.050 26.207 33.856 1.00 10.00 H new ATOM 0 HG11 VAL A 23 22.265 24.080 32.671 1.00 10.00 H new ATOM 0 HG12 VAL A 23 23.090 23.727 34.208 1.00 10.00 H new ATOM 0 HG13 VAL A 23 21.313 23.675 34.120 1.00 10.00 H new ATOM 0 HG21 VAL A 23 21.075 25.989 32.303 1.00 10.00 H new ATOM 0 HG22 VAL A 23 20.044 25.669 33.718 1.00 10.00 H new ATOM 0 HG23 VAL A 23 20.839 27.251 33.535 1.00 10.00 H new ATOM 341 N VAL A 24 21.929 23.708 36.693 1.00 10.00 N ATOM 342 CA VAL A 24 21.161 22.566 37.321 1.00 10.00 C ATOM 343 C VAL A 24 20.888 22.759 38.817 1.00 10.00 C ATOM 344 O VAL A 24 20.025 22.172 39.410 1.00 10.00 O ATOM 345 CB VAL A 24 21.524 21.155 36.906 1.00 10.00 C ATOM 346 CG1 VAL A 24 22.365 20.314 37.968 1.00 10.00 C ATOM 347 CG2 VAL A 24 20.295 20.334 36.725 1.00 10.00 C ATOM 0 H VAL A 24 22.935 23.573 36.591 1.00 10.00 H new ATOM 0 HA VAL A 24 20.191 22.652 36.832 1.00 10.00 H new ATOM 0 HB VAL A 24 22.116 21.317 36.005 1.00 10.00 H new ATOM 0 HG11 VAL A 24 22.568 19.321 37.567 1.00 10.00 H new ATOM 0 HG12 VAL A 24 23.307 20.823 38.171 1.00 10.00 H new ATOM 0 HG13 VAL A 24 21.795 20.222 38.893 1.00 10.00 H new ATOM 0 HG21 VAL A 24 20.573 19.323 36.427 1.00 10.00 H new ATOM 0 HG22 VAL A 24 19.741 20.296 37.663 1.00 10.00 H new ATOM 0 HG23 VAL A 24 19.669 20.781 35.952 1.00 10.00 H new ATOM 357 N GLU A 25 21.608 23.650 39.439 1.00 10.00 N ATOM 358 CA GLU A 25 21.342 24.190 40.786 1.00 10.00 C ATOM 359 C GLU A 25 20.341 25.302 40.936 1.00 10.00 C ATOM 360 O GLU A 25 19.506 25.261 41.849 1.00 10.00 O ATOM 361 CB GLU A 25 22.680 24.449 41.533 1.00 10.00 C ATOM 362 CG GLU A 25 22.530 24.990 42.950 1.00 10.00 C ATOM 363 CD GLU A 25 23.848 25.327 43.648 1.00 10.00 C ATOM 364 OE1 GLU A 25 24.979 24.786 43.438 1.00 10.00 O ATOM 365 OE2 GLU A 25 23.828 26.355 44.387 1.00 10.00 O ATOM 0 H GLU A 25 22.444 24.054 39.017 1.00 10.00 H new ATOM 0 HA GLU A 25 20.787 23.391 41.278 1.00 10.00 H new ATOM 0 HB2 GLU A 25 23.243 23.517 41.574 1.00 10.00 H new ATOM 0 HB3 GLU A 25 23.273 25.155 40.951 1.00 10.00 H new ATOM 0 HG2 GLU A 25 21.912 25.887 42.918 1.00 10.00 H new ATOM 0 HG3 GLU A 25 21.994 24.255 43.550 1.00 10.00 H new ATOM 372 N GLU A 26 20.206 26.176 39.860 1.00 10.00 N ATOM 373 CA GLU A 26 19.106 27.192 39.876 1.00 10.00 C ATOM 374 C GLU A 26 17.757 26.561 39.388 1.00 10.00 C ATOM 375 O GLU A 26 16.738 26.952 39.940 1.00 10.00 O ATOM 376 CB GLU A 26 19.561 28.254 38.852 1.00 10.00 C ATOM 377 CG GLU A 26 18.510 29.420 38.835 1.00 10.00 C ATOM 378 CD GLU A 26 19.251 30.758 38.483 1.00 10.00 C ATOM 379 OE1 GLU A 26 19.890 31.355 39.380 1.00 10.00 O ATOM 380 OE2 GLU A 26 19.236 31.090 37.287 1.00 10.00 O ATOM 0 H GLU A 26 20.806 26.190 39.035 1.00 10.00 H new ATOM 0 HA GLU A 26 18.935 27.591 40.876 1.00 10.00 H new ATOM 0 HB2 GLU A 26 20.546 28.637 39.118 1.00 10.00 H new ATOM 0 HB3 GLU A 26 19.649 27.810 37.861 1.00 10.00 H new ATOM 0 HG2 GLU A 26 17.730 29.215 38.102 1.00 10.00 H new ATOM 0 HG3 GLU A 26 18.021 29.503 39.806 1.00 10.00 H new ATOM 387 N ALA A 27 17.758 25.432 38.642 1.00 10.00 N ATOM 388 CA ALA A 27 16.581 24.611 38.272 1.00 10.00 C ATOM 389 C ALA A 27 15.894 23.841 39.426 1.00 10.00 C ATOM 390 O ALA A 27 14.740 23.483 39.380 1.00 10.00 O ATOM 391 CB ALA A 27 17.068 23.657 37.149 1.00 10.00 C ATOM 0 H ALA A 27 18.624 25.049 38.262 1.00 10.00 H new ATOM 0 HA ALA A 27 15.785 25.280 37.946 1.00 10.00 H new ATOM 0 HB1 ALA A 27 16.243 23.020 36.829 1.00 10.00 H new ATOM 0 HB2 ALA A 27 17.423 24.244 36.302 1.00 10.00 H new ATOM 0 HB3 ALA A 27 17.881 23.036 37.526 1.00 10.00 H new