USER MOD reduce.3.24.130724 H: found=0, std=0, add=188, rem=0, adj=6 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 -51:sc= 1.28 USER MOD Single : A 10 SER OG : rot 83:sc= 0.764 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+ 166:sc= 0.265 (180deg=0.153) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N ASP A 3 36.290 17.359 17.334 1.00 10.00 N ATOM 19 CA ASP A 3 36.581 18.480 18.206 1.00 10.00 C ATOM 20 C ASP A 3 37.359 19.733 17.728 1.00 10.00 C ATOM 21 O ASP A 3 37.211 20.844 18.292 1.00 10.00 O ATOM 22 CB ASP A 3 37.258 17.872 19.465 1.00 10.00 C ATOM 23 CG ASP A 3 36.956 18.672 20.755 1.00 10.00 C ATOM 24 OD1 ASP A 3 35.924 19.393 20.831 1.00 10.00 O ATOM 25 OD2 ASP A 3 37.704 18.549 21.743 1.00 10.00 O ATOM 0 HA ASP A 3 35.607 18.951 18.337 1.00 10.00 H new ATOM 0 HB2 ASP A 3 36.919 16.844 19.593 1.00 10.00 H new ATOM 0 HB3 ASP A 3 38.336 17.835 19.310 1.00 10.00 H new ATOM 30 N ALA A 4 38.151 19.470 16.708 1.00 10.00 N ATOM 31 CA ALA A 4 38.782 20.487 15.844 1.00 10.00 C ATOM 32 C ALA A 4 37.675 21.474 15.300 1.00 10.00 C ATOM 33 O ALA A 4 37.943 22.632 15.450 1.00 10.00 O ATOM 34 CB ALA A 4 39.454 19.759 14.679 1.00 10.00 C ATOM 0 H ALA A 4 38.390 18.516 16.437 1.00 10.00 H new ATOM 0 HA ALA A 4 39.519 21.065 16.401 1.00 10.00 H new ATOM 0 HB1 ALA A 4 39.930 20.486 14.022 1.00 10.00 H new ATOM 0 HB2 ALA A 4 40.207 19.072 15.065 1.00 10.00 H new ATOM 0 HB3 ALA A 4 38.705 19.199 14.119 1.00 10.00 H new ATOM 40 N ALA A 5 36.567 20.993 14.829 1.00 10.00 N ATOM 41 CA ALA A 5 35.422 21.830 14.474 1.00 10.00 C ATOM 42 C ALA A 5 34.797 22.706 15.671 1.00 10.00 C ATOM 43 O ALA A 5 33.961 23.612 15.438 1.00 10.00 O ATOM 44 CB ALA A 5 34.268 21.021 13.728 1.00 10.00 C ATOM 0 H ALA A 5 36.412 19.997 14.672 1.00 10.00 H new ATOM 0 HA ALA A 5 35.862 22.546 13.780 1.00 10.00 H new ATOM 0 HB1 ALA A 5 33.446 21.696 13.490 1.00 10.00 H new ATOM 0 HB2 ALA A 5 34.662 20.591 12.807 1.00 10.00 H new ATOM 0 HB3 ALA A 5 33.906 20.222 14.376 1.00 10.00 H new ATOM 50 N VAL A 6 35.225 22.560 16.947 1.00 10.00 N ATOM 51 CA VAL A 6 34.756 23.333 18.124 1.00 10.00 C ATOM 52 C VAL A 6 35.886 24.098 18.879 1.00 10.00 C ATOM 53 O VAL A 6 35.634 24.631 19.974 1.00 10.00 O ATOM 54 CB VAL A 6 33.827 22.418 19.043 1.00 10.00 C ATOM 55 CG1 VAL A 6 32.835 23.244 19.914 1.00 10.00 C ATOM 56 CG2 VAL A 6 32.981 21.408 18.270 1.00 10.00 C ATOM 0 H VAL A 6 35.936 21.872 17.196 1.00 10.00 H new ATOM 0 HA VAL A 6 34.135 24.152 17.762 1.00 10.00 H new ATOM 0 HB VAL A 6 34.551 21.891 19.665 1.00 10.00 H new ATOM 0 HG11 VAL A 6 32.230 22.567 20.517 1.00 10.00 H new ATOM 0 HG12 VAL A 6 33.395 23.912 20.569 1.00 10.00 H new ATOM 0 HG13 VAL A 6 32.185 23.832 19.266 1.00 10.00 H new ATOM 0 HG21 VAL A 6 32.379 20.827 18.969 1.00 10.00 H new ATOM 0 HG22 VAL A 6 32.325 21.937 17.579 1.00 10.00 H new ATOM 0 HG23 VAL A 6 33.634 20.739 17.710 1.00 10.00 H new ATOM 66 N ASP A 7 37.072 24.224 18.357 1.00 10.00 N ATOM 67 CA ASP A 7 38.303 24.697 19.038 1.00 10.00 C ATOM 68 C ASP A 7 38.779 23.867 20.241 1.00 10.00 C ATOM 69 O ASP A 7 39.031 24.389 21.300 1.00 10.00 O ATOM 70 CB ASP A 7 38.133 26.221 19.328 1.00 10.00 C ATOM 71 CG ASP A 7 39.519 26.876 19.533 1.00 10.00 C ATOM 72 OD1 ASP A 7 40.283 26.859 18.566 1.00 10.00 O ATOM 73 OD2 ASP A 7 39.805 27.462 20.643 1.00 10.00 O ATOM 0 H ASP A 7 37.246 23.990 17.379 1.00 10.00 H new ATOM 0 HA ASP A 7 39.141 24.540 18.359 1.00 10.00 H new ATOM 0 HB2 ASP A 7 37.613 26.702 18.500 1.00 10.00 H new ATOM 0 HB3 ASP A 7 37.518 26.365 20.217 1.00 10.00 H new ATOM 78 N THR A 8 38.829 22.591 20.052 1.00 10.00 N ATOM 79 CA THR A 8 39.142 21.464 20.949 1.00 10.00 C ATOM 80 C THR A 8 38.404 21.616 22.283 1.00 10.00 C ATOM 81 O THR A 8 39.040 21.681 23.339 1.00 10.00 O ATOM 82 CB THR A 8 40.674 21.097 20.954 1.00 10.00 C ATOM 83 OG1 THR A 8 41.329 21.367 19.741 1.00 10.00 O ATOM 84 CG2 THR A 8 40.910 19.674 21.583 1.00 10.00 C ATOM 0 H THR A 8 38.621 22.231 19.120 1.00 10.00 H new ATOM 0 HA THR A 8 38.731 20.533 20.558 1.00 10.00 H new ATOM 0 HB THR A 8 41.186 21.786 21.626 1.00 10.00 H new ATOM 0 HG1 THR A 8 42.274 21.117 19.817 1.00 10.00 H new ATOM 0 HG21 THR A 8 41.976 19.445 21.575 1.00 10.00 H new ATOM 0 HG22 THR A 8 40.545 19.665 22.610 1.00 10.00 H new ATOM 0 HG23 THR A 8 40.373 18.925 21.001 1.00 10.00 H new ATOM 92 N SER A 9 37.109 21.735 22.292 1.00 10.00 N ATOM 93 CA SER A 9 36.207 21.724 23.513 1.00 10.00 C ATOM 94 C SER A 9 36.420 20.668 24.622 1.00 10.00 C ATOM 95 O SER A 9 36.048 21.026 25.784 1.00 10.00 O ATOM 96 CB SER A 9 34.784 21.688 23.010 1.00 10.00 C ATOM 97 OG SER A 9 34.494 20.358 22.727 1.00 10.00 O ATOM 0 H SER A 9 36.581 21.851 21.427 1.00 10.00 H new ATOM 0 HA SER A 9 36.479 22.629 24.056 1.00 10.00 H new ATOM 0 HB2 SER A 9 34.098 22.083 23.760 1.00 10.00 H new ATOM 0 HB3 SER A 9 34.673 22.306 22.119 1.00 10.00 H new ATOM 0 HG SER A 9 35.195 19.986 22.152 1.00 10.00 H new ATOM 103 N SER A 10 37.023 19.472 24.387 1.00 10.00 N ATOM 104 CA SER A 10 37.340 18.470 25.441 1.00 10.00 C ATOM 105 C SER A 10 38.477 18.913 26.396 1.00 10.00 C ATOM 106 O SER A 10 38.872 18.147 27.355 1.00 10.00 O ATOM 107 CB SER A 10 37.558 17.082 24.828 1.00 10.00 C ATOM 108 OG SER A 10 36.580 16.903 23.785 1.00 10.00 O ATOM 0 H SER A 10 37.305 19.174 23.453 1.00 10.00 H new ATOM 0 HA SER A 10 36.466 18.399 26.089 1.00 10.00 H new ATOM 0 HB2 SER A 10 38.567 16.997 24.424 1.00 10.00 H new ATOM 0 HB3 SER A 10 37.452 16.308 25.588 1.00 10.00 H new ATOM 0 HG SER A 10 36.903 17.320 22.959 1.00 10.00 H new ATOM 114 N GLU A 11 39.036 20.110 26.248 1.00 10.00 N ATOM 115 CA GLU A 11 39.980 20.755 27.134 1.00 10.00 C ATOM 116 C GLU A 11 39.221 21.605 28.131 1.00 10.00 C ATOM 117 O GLU A 11 39.554 21.700 29.285 1.00 10.00 O ATOM 118 CB GLU A 11 41.014 21.547 26.347 1.00 10.00 C ATOM 119 CG GLU A 11 42.022 20.522 25.684 1.00 10.00 C ATOM 120 CD GLU A 11 43.108 21.315 24.928 1.00 10.00 C ATOM 121 OE1 GLU A 11 44.118 21.614 25.600 1.00 10.00 O ATOM 122 OE2 GLU A 11 42.966 21.688 23.736 1.00 10.00 O ATOM 0 H GLU A 11 38.819 20.694 25.440 1.00 10.00 H new ATOM 0 HA GLU A 11 40.540 20.004 27.691 1.00 10.00 H new ATOM 0 HB2 GLU A 11 40.528 22.151 25.581 1.00 10.00 H new ATOM 0 HB3 GLU A 11 41.547 22.234 27.004 1.00 10.00 H new ATOM 0 HG2 GLU A 11 42.477 19.892 26.448 1.00 10.00 H new ATOM 0 HG3 GLU A 11 41.492 19.860 24.999 1.00 10.00 H new ATOM 129 N ILE A 12 38.257 22.343 27.626 1.00 10.00 N ATOM 130 CA ILE A 12 37.563 23.415 28.294 1.00 10.00 C ATOM 131 C ILE A 12 36.266 23.024 29.067 1.00 10.00 C ATOM 132 O ILE A 12 35.765 23.845 29.813 1.00 10.00 O ATOM 133 CB ILE A 12 37.338 24.662 27.422 1.00 10.00 C ATOM 134 CG1 ILE A 12 36.196 24.297 26.426 1.00 10.00 C ATOM 135 CG2 ILE A 12 38.593 25.310 26.741 1.00 10.00 C ATOM 136 CD1 ILE A 12 35.485 25.471 25.785 1.00 10.00 C ATOM 0 H ILE A 12 37.917 22.198 26.675 1.00 10.00 H new ATOM 0 HA ILE A 12 38.282 23.681 29.069 1.00 10.00 H new ATOM 0 HB ILE A 12 37.059 25.484 28.081 1.00 10.00 H new ATOM 0 HG12 ILE A 12 36.613 23.673 25.636 1.00 10.00 H new ATOM 0 HG13 ILE A 12 35.458 23.692 26.953 1.00 10.00 H new ATOM 0 HG21 ILE A 12 38.284 26.178 26.159 1.00 10.00 H new ATOM 0 HG22 ILE A 12 39.303 25.621 27.507 1.00 10.00 H new ATOM 0 HG23 ILE A 12 39.066 24.582 26.082 1.00 10.00 H new ATOM 0 HD11 ILE A 12 34.711 25.104 25.111 1.00 10.00 H new ATOM 0 HD12 ILE A 12 35.029 26.088 26.560 1.00 10.00 H new ATOM 0 HD13 ILE A 12 36.203 26.068 25.222 1.00 10.00 H new ATOM 148 N THR A 13 35.787 21.829 28.787 1.00 10.00 N ATOM 149 CA THR A 13 34.551 21.229 29.297 1.00 10.00 C ATOM 150 C THR A 13 34.277 21.327 30.783 1.00 10.00 C ATOM 151 O THR A 13 33.127 21.474 31.088 1.00 10.00 O ATOM 152 CB THR A 13 34.622 19.783 28.887 1.00 10.00 C ATOM 153 OG1 THR A 13 33.569 19.101 29.402 1.00 10.00 O ATOM 154 CG2 THR A 13 35.878 19.026 29.131 1.00 10.00 C ATOM 0 H THR A 13 36.279 21.200 28.153 1.00 10.00 H new ATOM 0 HA THR A 13 33.722 21.798 28.875 1.00 10.00 H new ATOM 0 HB THR A 13 34.594 19.851 27.799 1.00 10.00 H new ATOM 0 HG1 THR A 13 33.623 18.161 29.129 1.00 10.00 H new ATOM 0 HG21 THR A 13 35.760 18.002 28.777 1.00 10.00 H new ATOM 0 HG22 THR A 13 36.700 19.502 28.596 1.00 10.00 H new ATOM 0 HG23 THR A 13 36.096 19.018 30.199 1.00 10.00 H new ATOM 162 N THR A 14 35.332 21.539 31.619 1.00 10.00 N ATOM 163 CA THR A 14 35.024 21.702 33.129 1.00 10.00 C ATOM 164 C THR A 14 34.289 22.990 33.307 1.00 10.00 C ATOM 165 O THR A 14 33.341 23.024 34.078 1.00 10.00 O ATOM 166 CB THR A 14 36.276 21.611 34.141 1.00 10.00 C ATOM 167 OG1 THR A 14 37.093 20.516 33.851 1.00 10.00 O ATOM 168 CG2 THR A 14 35.739 21.329 35.518 1.00 10.00 C ATOM 0 H THR A 14 36.313 21.601 31.346 1.00 10.00 H new ATOM 0 HA THR A 14 34.426 20.835 33.411 1.00 10.00 H new ATOM 0 HB THR A 14 36.835 22.543 34.060 1.00 10.00 H new ATOM 0 HG1 THR A 14 37.843 20.491 34.482 1.00 10.00 H new ATOM 0 HG21 THR A 14 36.566 21.262 36.225 1.00 10.00 H new ATOM 0 HG22 THR A 14 35.069 22.134 35.819 1.00 10.00 H new ATOM 0 HG23 THR A 14 35.192 20.386 35.509 1.00 10.00 H new ATOM 176 N LYS A 15 34.631 24.094 32.580 1.00 10.00 N ATOM 177 CA LYS A 15 33.827 25.344 32.645 1.00 10.00 C ATOM 178 C LYS A 15 32.353 25.037 32.239 1.00 10.00 C ATOM 179 O LYS A 15 31.369 25.468 32.842 1.00 10.00 O ATOM 180 CB LYS A 15 34.412 26.433 31.738 1.00 10.00 C ATOM 181 CG LYS A 15 35.719 26.863 32.287 1.00 10.00 C ATOM 182 CD LYS A 15 36.591 27.504 31.174 1.00 10.00 C ATOM 183 CE LYS A 15 37.865 28.157 31.714 1.00 10.00 C ATOM 184 NZ LYS A 15 38.441 29.128 30.859 1.00 10.00 N ATOM 0 H LYS A 15 35.438 24.141 31.958 1.00 10.00 H new ATOM 0 HA LYS A 15 33.854 25.718 33.669 1.00 10.00 H new ATOM 0 HB2 LYS A 15 34.536 26.053 30.724 1.00 10.00 H new ATOM 0 HB3 LYS A 15 33.730 27.281 31.679 1.00 10.00 H new ATOM 0 HG2 LYS A 15 35.563 27.580 33.093 1.00 10.00 H new ATOM 0 HG3 LYS A 15 36.239 26.007 32.717 1.00 10.00 H new ATOM 0 HD2 LYS A 15 36.862 26.739 30.447 1.00 10.00 H new ATOM 0 HD3 LYS A 15 36.002 28.253 30.645 1.00 10.00 H new ATOM 0 HE2 LYS A 15 37.639 28.625 32.672 1.00 10.00 H new ATOM 0 HE3 LYS A 15 38.603 27.378 31.906 1.00 10.00 H new ATOM 0 HZ1 LYS A 15 39.297 29.517 31.303 1.00 10.00 H new ATOM 0 HZ2 LYS A 15 38.692 28.686 29.951 1.00 10.00 H new ATOM 0 HZ3 LYS A 15 37.758 29.894 30.694 1.00 10.00 H new ATOM 198 N ASP A 16 32.159 24.445 31.031 1.00 10.00 N ATOM 199 CA ASP A 16 30.822 23.951 30.587 1.00 10.00 C ATOM 200 C ASP A 16 30.158 23.039 31.576 1.00 10.00 C ATOM 201 O ASP A 16 28.922 22.921 31.541 1.00 10.00 O ATOM 202 CB ASP A 16 30.915 23.257 29.210 1.00 10.00 C ATOM 203 CG ASP A 16 29.511 22.797 28.790 1.00 10.00 C ATOM 204 OD1 ASP A 16 28.788 23.675 28.198 1.00 10.00 O ATOM 205 OD2 ASP A 16 29.152 21.597 28.960 1.00 10.00 O ATOM 0 H ASP A 16 32.904 24.298 30.350 1.00 10.00 H new ATOM 0 HA ASP A 16 30.195 24.839 30.507 1.00 10.00 H new ATOM 0 HB2 ASP A 16 31.324 23.943 28.469 1.00 10.00 H new ATOM 0 HB3 ASP A 16 31.591 22.404 29.263 1.00 10.00 H new ATOM 210 N LEU A 17 30.830 22.339 32.474 1.00 10.00 N ATOM 211 CA LEU A 17 30.231 21.427 33.534 1.00 10.00 C ATOM 212 C LEU A 17 29.873 22.138 34.828 1.00 10.00 C ATOM 213 O LEU A 17 28.997 21.809 35.525 1.00 10.00 O ATOM 214 CB LEU A 17 31.062 20.135 33.628 1.00 10.00 C ATOM 215 CG LEU A 17 31.070 19.281 32.304 1.00 10.00 C ATOM 216 CD1 LEU A 17 32.305 18.367 32.314 1.00 10.00 C ATOM 217 CD2 LEU A 17 29.801 18.476 32.249 1.00 10.00 C ATOM 0 H LEU A 17 31.849 22.365 32.518 1.00 10.00 H new ATOM 0 HA LEU A 17 29.237 21.102 33.226 1.00 10.00 H new ATOM 0 HB2 LEU A 17 32.089 20.393 33.888 1.00 10.00 H new ATOM 0 HB3 LEU A 17 30.672 19.523 34.441 1.00 10.00 H new ATOM 0 HG LEU A 17 31.119 19.921 31.423 1.00 10.00 H new ATOM 0 HD11 LEU A 17 32.323 17.770 31.402 1.00 10.00 H new ATOM 0 HD12 LEU A 17 33.208 18.976 32.367 1.00 10.00 H new ATOM 0 HD13 LEU A 17 32.262 17.706 33.180 1.00 10.00 H new ATOM 0 HD21 LEU A 17 29.789 17.878 31.338 1.00 10.00 H new ATOM 0 HD22 LEU A 17 29.750 17.818 33.116 1.00 10.00 H new ATOM 0 HD23 LEU A 17 28.943 19.148 32.253 1.00 10.00 H new ATOM 229 N LYS A 18 30.566 23.207 35.147 1.00 10.00 N ATOM 230 CA LYS A 18 30.221 24.152 36.212 1.00 10.00 C ATOM 231 C LYS A 18 29.105 25.039 35.747 1.00 10.00 C ATOM 232 O LYS A 18 28.210 25.447 36.510 1.00 10.00 O ATOM 233 CB LYS A 18 31.463 25.004 36.618 1.00 10.00 C ATOM 234 CG LYS A 18 32.210 24.313 37.804 1.00 10.00 C ATOM 235 CD LYS A 18 33.111 23.210 37.382 1.00 10.00 C ATOM 236 CE LYS A 18 33.730 22.475 38.572 1.00 10.00 C ATOM 237 NZ LYS A 18 34.508 23.264 39.512 1.00 10.00 N ATOM 0 H LYS A 18 31.424 23.462 34.657 1.00 10.00 H new ATOM 0 HA LYS A 18 29.896 23.595 37.091 1.00 10.00 H new ATOM 0 HB2 LYS A 18 32.135 25.114 35.767 1.00 10.00 H new ATOM 0 HB3 LYS A 18 31.149 26.007 36.908 1.00 10.00 H new ATOM 0 HG2 LYS A 18 32.793 25.062 38.340 1.00 10.00 H new ATOM 0 HG3 LYS A 18 31.474 23.921 38.506 1.00 10.00 H new ATOM 0 HD2 LYS A 18 32.552 22.501 36.772 1.00 10.00 H new ATOM 0 HD3 LYS A 18 33.906 23.614 36.754 1.00 10.00 H new ATOM 0 HE2 LYS A 18 32.925 21.990 39.124 1.00 10.00 H new ATOM 0 HE3 LYS A 18 34.372 21.684 38.183 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 34.869 22.647 40.267 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 35.307 23.707 39.015 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 33.905 24.003 39.927 1.00 10.00 H new ATOM 251 N GLU A 19 28.886 25.114 34.408 1.00 10.00 N ATOM 252 CA GLU A 19 27.710 25.719 33.734 1.00 10.00 C ATOM 253 C GLU A 19 26.560 24.829 33.936 1.00 10.00 C ATOM 254 O GLU A 19 25.518 25.250 34.458 1.00 10.00 O ATOM 255 CB GLU A 19 28.025 26.031 32.233 1.00 10.00 C ATOM 256 CG GLU A 19 27.011 27.000 31.683 1.00 10.00 C ATOM 257 CD GLU A 19 27.457 27.554 30.262 1.00 10.00 C ATOM 258 OE1 GLU A 19 27.163 26.947 29.253 1.00 10.00 O ATOM 259 OE2 GLU A 19 28.088 28.660 30.243 1.00 10.00 O ATOM 0 H GLU A 19 29.557 24.736 33.739 1.00 10.00 H new ATOM 0 HA GLU A 19 27.460 26.686 34.170 1.00 10.00 H new ATOM 0 HB2 GLU A 19 29.027 26.451 32.143 1.00 10.00 H new ATOM 0 HB3 GLU A 19 28.012 25.109 31.651 1.00 10.00 H new ATOM 0 HG2 GLU A 19 26.043 26.507 31.596 1.00 10.00 H new ATOM 0 HG3 GLU A 19 26.885 27.831 32.377 1.00 10.00 H new ATOM 266 N LYS A 20 26.715 23.559 33.638 1.00 10.00 N ATOM 267 CA LYS A 20 25.744 22.497 33.983 1.00 10.00 C ATOM 268 C LYS A 20 25.393 22.401 35.409 1.00 10.00 C ATOM 269 O LYS A 20 24.307 21.970 35.687 1.00 10.00 O ATOM 270 CB LYS A 20 26.231 21.089 33.524 1.00 10.00 C ATOM 271 CG LYS A 20 26.345 20.953 32.046 1.00 10.00 C ATOM 272 CD LYS A 20 25.197 21.520 31.166 1.00 10.00 C ATOM 273 CE LYS A 20 25.266 20.862 29.814 1.00 10.00 C ATOM 274 NZ LYS A 20 26.425 21.175 28.998 1.00 10.00 N ATOM 0 H LYS A 20 27.532 23.208 33.138 1.00 10.00 H new ATOM 0 HA LYS A 20 24.849 22.804 33.442 1.00 10.00 H new ATOM 0 HB2 LYS A 20 27.202 20.884 33.976 1.00 10.00 H new ATOM 0 HB3 LYS A 20 25.539 20.334 33.898 1.00 10.00 H new ATOM 0 HG2 LYS A 20 27.271 21.438 31.738 1.00 10.00 H new ATOM 0 HG3 LYS A 20 26.448 19.893 31.816 1.00 10.00 H new ATOM 0 HD2 LYS A 20 24.231 21.328 31.633 1.00 10.00 H new ATOM 0 HD3 LYS A 20 25.293 22.601 31.067 1.00 10.00 H new ATOM 0 HE2 LYS A 20 25.232 19.782 29.958 1.00 10.00 H new ATOM 0 HE3 LYS A 20 24.371 21.137 29.255 1.00 10.00 H new ATOM 0 HZ1 LYS A 20 26.488 20.499 28.210 1.00 10.00 H new ATOM 0 HZ2 LYS A 20 26.333 22.140 28.620 1.00 10.00 H new ATOM 0 HZ3 LYS A 20 27.286 21.111 29.578 1.00 10.00 H new ATOM 288 N LYS A 21 26.260 22.876 36.364 1.00 10.00 N ATOM 289 CA LYS A 21 25.955 22.892 37.811 1.00 10.00 C ATOM 290 C LYS A 21 25.134 24.086 38.227 1.00 10.00 C ATOM 291 O LYS A 21 24.207 23.979 39.058 1.00 10.00 O ATOM 292 CB LYS A 21 27.241 22.703 38.651 1.00 10.00 C ATOM 293 CG LYS A 21 27.818 21.237 38.704 1.00 10.00 C ATOM 294 CD LYS A 21 26.899 20.296 39.399 1.00 10.00 C ATOM 295 CE LYS A 21 27.475 18.934 39.585 1.00 10.00 C ATOM 296 NZ LYS A 21 26.632 18.042 40.397 1.00 10.00 N ATOM 0 H LYS A 21 27.181 23.253 36.139 1.00 10.00 H new ATOM 0 HA LYS A 21 25.314 22.035 38.019 1.00 10.00 H new ATOM 0 HB2 LYS A 21 28.012 23.362 38.253 1.00 10.00 H new ATOM 0 HB3 LYS A 21 27.037 23.030 39.671 1.00 10.00 H new ATOM 0 HG2 LYS A 21 27.999 20.883 37.689 1.00 10.00 H new ATOM 0 HG3 LYS A 21 28.781 21.246 39.215 1.00 10.00 H new ATOM 0 HD2 LYS A 21 26.638 20.708 40.374 1.00 10.00 H new ATOM 0 HD3 LYS A 21 25.974 20.216 38.829 1.00 10.00 H new ATOM 0 HE2 LYS A 21 27.633 18.479 38.607 1.00 10.00 H new ATOM 0 HE3 LYS A 21 28.453 19.024 40.057 1.00 10.00 H new ATOM 0 HZ1 LYS A 21 27.093 17.114 40.485 1.00 10.00 H new ATOM 0 HZ2 LYS A 21 26.500 18.454 41.343 1.00 10.00 H new ATOM 0 HZ3 LYS A 21 25.706 17.926 39.938 1.00 10.00 H new ATOM 310 N GLU A 22 25.349 25.241 37.535 1.00 10.00 N ATOM 311 CA GLU A 22 24.750 26.494 37.836 1.00 10.00 C ATOM 312 C GLU A 22 23.311 26.582 37.298 1.00 10.00 C ATOM 313 O GLU A 22 22.409 27.086 37.992 1.00 10.00 O ATOM 314 CB GLU A 22 25.657 27.633 37.306 1.00 10.00 C ATOM 315 CG GLU A 22 25.508 28.892 38.050 1.00 10.00 C ATOM 316 CD GLU A 22 26.283 30.015 37.506 1.00 10.00 C ATOM 317 OE1 GLU A 22 27.442 30.127 38.018 1.00 10.00 O ATOM 318 OE2 GLU A 22 25.739 30.780 36.692 1.00 10.00 O ATOM 0 H GLU A 22 25.974 25.284 36.730 1.00 10.00 H new ATOM 0 HA GLU A 22 24.664 26.601 38.917 1.00 10.00 H new ATOM 0 HB2 GLU A 22 26.697 27.312 37.355 1.00 10.00 H new ATOM 0 HB3 GLU A 22 25.428 27.811 36.255 1.00 10.00 H new ATOM 0 HG2 GLU A 22 24.454 29.168 38.065 1.00 10.00 H new ATOM 0 HG3 GLU A 22 25.809 28.726 39.084 1.00 10.00 H new ATOM 325 N VAL A 23 23.151 26.027 36.098 1.00 10.00 N ATOM 326 CA VAL A 23 21.950 25.735 35.408 1.00 10.00 C ATOM 327 C VAL A 23 21.066 24.728 36.117 1.00 10.00 C ATOM 328 O VAL A 23 19.896 24.919 36.253 1.00 10.00 O ATOM 329 CB VAL A 23 22.164 25.287 33.893 1.00 10.00 C ATOM 330 CG1 VAL A 23 22.389 23.816 33.555 1.00 10.00 C ATOM 331 CG2 VAL A 23 20.830 25.752 33.201 1.00 10.00 C ATOM 0 H VAL A 23 23.964 25.751 35.548 1.00 10.00 H new ATOM 0 HA VAL A 23 21.432 26.694 35.402 1.00 10.00 H new ATOM 0 HB VAL A 23 23.107 25.725 33.567 1.00 10.00 H new ATOM 0 HG11 VAL A 23 22.514 23.705 32.478 1.00 10.00 H new ATOM 0 HG12 VAL A 23 23.285 23.459 34.063 1.00 10.00 H new ATOM 0 HG13 VAL A 23 21.529 23.232 33.882 1.00 10.00 H new ATOM 0 HG21 VAL A 23 20.860 25.495 32.142 1.00 10.00 H new ATOM 0 HG22 VAL A 23 19.983 25.253 33.672 1.00 10.00 H new ATOM 0 HG23 VAL A 23 20.721 26.831 33.309 1.00 10.00 H new ATOM 341 N VAL A 24 21.659 23.666 36.612 1.00 10.00 N ATOM 342 CA VAL A 24 20.958 22.523 37.249 1.00 10.00 C ATOM 343 C VAL A 24 20.526 22.772 38.681 1.00 10.00 C ATOM 344 O VAL A 24 19.497 22.300 39.175 1.00 10.00 O ATOM 345 CB VAL A 24 21.715 21.236 37.035 1.00 10.00 C ATOM 346 CG1 VAL A 24 22.741 20.905 38.145 1.00 10.00 C ATOM 347 CG2 VAL A 24 20.661 20.099 36.872 1.00 10.00 C ATOM 0 H VAL A 24 22.672 23.549 36.593 1.00 10.00 H new ATOM 0 HA VAL A 24 20.005 22.411 36.733 1.00 10.00 H new ATOM 0 HB VAL A 24 22.326 21.343 36.139 1.00 10.00 H new ATOM 0 HG11 VAL A 24 23.239 19.964 37.911 1.00 10.00 H new ATOM 0 HG12 VAL A 24 23.482 21.702 38.205 1.00 10.00 H new ATOM 0 HG13 VAL A 24 22.226 20.815 39.101 1.00 10.00 H new ATOM 0 HG21 VAL A 24 21.172 19.149 36.715 1.00 10.00 H new ATOM 0 HG22 VAL A 24 20.050 20.038 37.772 1.00 10.00 H new ATOM 0 HG23 VAL A 24 20.023 20.314 36.015 1.00 10.00 H new ATOM 357 N GLU A 25 21.346 23.499 39.487 1.00 10.00 N ATOM 358 CA GLU A 25 20.974 23.915 40.845 1.00 10.00 C ATOM 359 C GLU A 25 19.921 25.042 40.856 1.00 10.00 C ATOM 360 O GLU A 25 19.155 24.989 41.849 1.00 10.00 O ATOM 361 CB GLU A 25 22.204 24.351 41.679 1.00 10.00 C ATOM 362 CG GLU A 25 23.204 23.260 42.039 1.00 10.00 C ATOM 363 CD GLU A 25 22.505 22.257 42.958 1.00 10.00 C ATOM 364 OE1 GLU A 25 22.554 22.513 44.183 1.00 10.00 O ATOM 365 OE2 GLU A 25 21.945 21.260 42.468 1.00 10.00 O ATOM 0 H GLU A 25 22.277 23.806 39.205 1.00 10.00 H new ATOM 0 HA GLU A 25 20.532 23.031 41.305 1.00 10.00 H new ATOM 0 HB2 GLU A 25 22.732 25.129 41.127 1.00 10.00 H new ATOM 0 HB3 GLU A 25 21.846 24.804 42.604 1.00 10.00 H new ATOM 0 HG2 GLU A 25 23.565 22.763 41.139 1.00 10.00 H new ATOM 0 HG3 GLU A 25 24.073 23.690 42.537 1.00 10.00 H new ATOM 372 N GLU A 26 19.883 25.999 39.925 1.00 10.00 N ATOM 373 CA GLU A 26 18.843 27.062 39.823 1.00 10.00 C ATOM 374 C GLU A 26 17.512 26.563 39.276 1.00 10.00 C ATOM 375 O GLU A 26 16.448 27.147 39.543 1.00 10.00 O ATOM 376 CB GLU A 26 19.454 28.214 38.906 1.00 10.00 C ATOM 377 CG GLU A 26 20.523 29.088 39.655 1.00 10.00 C ATOM 378 CD GLU A 26 19.962 29.909 40.840 1.00 10.00 C ATOM 379 OE1 GLU A 26 19.914 29.453 41.967 1.00 10.00 O ATOM 380 OE2 GLU A 26 19.686 31.092 40.577 1.00 10.00 O ATOM 0 H GLU A 26 20.590 26.070 39.193 1.00 10.00 H new ATOM 0 HA GLU A 26 18.604 27.429 40.821 1.00 10.00 H new ATOM 0 HB2 GLU A 26 19.912 27.765 38.024 1.00 10.00 H new ATOM 0 HB3 GLU A 26 18.648 28.858 38.554 1.00 10.00 H new ATOM 0 HG2 GLU A 26 21.314 28.435 40.024 1.00 10.00 H new ATOM 0 HG3 GLU A 26 20.981 29.772 38.940 1.00 10.00 H new ATOM 387 N ALA A 27 17.586 25.414 38.561 1.00 10.00 N ATOM 388 CA ALA A 27 16.395 24.733 38.140 1.00 10.00 C ATOM 389 C ALA A 27 15.851 23.905 39.290 1.00 10.00 C ATOM 390 O ALA A 27 14.651 23.710 39.355 1.00 10.00 O ATOM 391 CB ALA A 27 16.731 23.892 36.939 1.00 10.00 C ATOM 0 H ALA A 27 18.458 24.965 38.280 1.00 10.00 H new ATOM 0 HA ALA A 27 15.615 25.440 37.857 1.00 10.00 H new ATOM 0 HB1 ALA A 27 15.838 23.365 36.602 1.00 10.00 H new ATOM 0 HB2 ALA A 27 17.098 24.533 36.137 1.00 10.00 H new ATOM 0 HB3 ALA A 27 17.501 23.168 37.206 1.00 10.00 H new