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 -11:sc= 1.09 USER MOD Single : A 10 SER OG : rot 77:sc= 1.17 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+ -174:sc= 1.25 (180deg=1.09) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N ASP A 3 36.126 18.407 16.655 1.00 10.00 N ATOM 19 CA ASP A 3 36.154 19.485 17.623 1.00 10.00 C ATOM 20 C ASP A 3 36.262 20.912 17.011 1.00 10.00 C ATOM 21 O ASP A 3 36.131 21.907 17.734 1.00 10.00 O ATOM 22 CB ASP A 3 37.214 19.125 18.758 1.00 10.00 C ATOM 23 CG ASP A 3 36.835 19.698 20.155 1.00 10.00 C ATOM 24 OD1 ASP A 3 35.674 20.103 20.391 1.00 10.00 O ATOM 25 OD2 ASP A 3 37.687 19.517 21.081 1.00 10.00 O ATOM 0 HA ASP A 3 35.177 19.557 18.100 1.00 10.00 H new ATOM 0 HB2 ASP A 3 37.306 18.041 18.830 1.00 10.00 H new ATOM 0 HB3 ASP A 3 38.192 19.509 18.468 1.00 10.00 H new ATOM 30 N ALA A 4 36.657 21.093 15.769 1.00 10.00 N ATOM 31 CA ALA A 4 36.936 22.404 15.224 1.00 10.00 C ATOM 32 C ALA A 4 35.695 23.160 14.776 1.00 10.00 C ATOM 33 O ALA A 4 35.617 24.373 14.976 1.00 10.00 O ATOM 34 CB ALA A 4 37.925 22.304 14.060 1.00 10.00 C ATOM 0 H ALA A 4 36.794 20.331 15.106 1.00 10.00 H new ATOM 0 HA ALA A 4 37.374 22.976 16.042 1.00 10.00 H new ATOM 0 HB1 ALA A 4 38.122 23.300 13.664 1.00 10.00 H new ATOM 0 HB2 ALA A 4 38.857 21.862 14.412 1.00 10.00 H new ATOM 0 HB3 ALA A 4 37.501 21.678 13.275 1.00 10.00 H new ATOM 40 N ALA A 5 34.606 22.396 14.397 1.00 10.00 N ATOM 41 CA ALA A 5 33.258 22.944 14.289 1.00 10.00 C ATOM 42 C ALA A 5 32.531 23.180 15.681 1.00 10.00 C ATOM 43 O ALA A 5 31.401 23.637 15.751 1.00 10.00 O ATOM 44 CB ALA A 5 32.476 22.038 13.338 1.00 10.00 C ATOM 0 H ALA A 5 34.668 21.404 14.168 1.00 10.00 H new ATOM 0 HA ALA A 5 33.314 23.954 13.884 1.00 10.00 H new ATOM 0 HB1 ALA A 5 31.459 22.415 13.230 1.00 10.00 H new ATOM 0 HB2 ALA A 5 32.964 22.026 12.363 1.00 10.00 H new ATOM 0 HB3 ALA A 5 32.447 21.026 13.741 1.00 10.00 H new ATOM 50 N VAL A 6 33.319 23.066 16.733 1.00 10.00 N ATOM 51 CA VAL A 6 33.044 23.412 18.149 1.00 10.00 C ATOM 52 C VAL A 6 34.162 24.184 18.944 1.00 10.00 C ATOM 53 O VAL A 6 34.201 24.339 20.218 1.00 10.00 O ATOM 54 CB VAL A 6 32.742 22.204 19.059 1.00 10.00 C ATOM 55 CG1 VAL A 6 31.780 22.651 20.201 1.00 10.00 C ATOM 56 CG2 VAL A 6 32.242 20.943 18.318 1.00 10.00 C ATOM 0 H VAL A 6 34.263 22.695 16.627 1.00 10.00 H new ATOM 0 HA VAL A 6 32.184 24.059 17.976 1.00 10.00 H new ATOM 0 HB VAL A 6 33.690 21.880 19.488 1.00 10.00 H new ATOM 0 HG11 VAL A 6 31.563 21.801 20.848 1.00 10.00 H new ATOM 0 HG12 VAL A 6 32.252 23.441 20.786 1.00 10.00 H new ATOM 0 HG13 VAL A 6 30.852 23.025 19.769 1.00 10.00 H new ATOM 0 HG21 VAL A 6 32.056 20.147 19.039 1.00 10.00 H new ATOM 0 HG22 VAL A 6 31.318 21.175 17.788 1.00 10.00 H new ATOM 0 HG23 VAL A 6 32.998 20.617 17.604 1.00 10.00 H new ATOM 66 N ASP A 7 35.087 24.677 18.100 1.00 10.00 N ATOM 67 CA ASP A 7 36.204 25.475 18.564 1.00 10.00 C ATOM 68 C ASP A 7 37.067 24.939 19.724 1.00 10.00 C ATOM 69 O ASP A 7 37.462 25.691 20.660 1.00 10.00 O ATOM 70 CB ASP A 7 35.830 27.012 18.739 1.00 10.00 C ATOM 71 CG ASP A 7 37.040 27.917 18.693 1.00 10.00 C ATOM 72 OD1 ASP A 7 38.104 27.575 18.190 1.00 10.00 O ATOM 73 OD2 ASP A 7 36.939 29.124 19.095 1.00 10.00 O ATOM 0 H ASP A 7 35.070 24.528 17.091 1.00 10.00 H new ATOM 0 HA ASP A 7 36.894 25.371 17.726 1.00 10.00 H new ATOM 0 HB2 ASP A 7 35.133 27.304 17.953 1.00 10.00 H new ATOM 0 HB3 ASP A 7 35.314 27.150 19.689 1.00 10.00 H new ATOM 78 N THR A 8 37.488 23.680 19.650 1.00 10.00 N ATOM 79 CA THR A 8 38.322 23.040 20.688 1.00 10.00 C ATOM 80 C THR A 8 37.610 22.868 22.080 1.00 10.00 C ATOM 81 O THR A 8 38.144 23.157 23.139 1.00 10.00 O ATOM 82 CB THR A 8 39.770 23.595 20.667 1.00 10.00 C ATOM 83 OG1 THR A 8 40.186 23.399 19.297 1.00 10.00 O ATOM 84 CG2 THR A 8 40.660 22.739 21.522 1.00 10.00 C ATOM 0 H THR A 8 37.265 23.064 18.869 1.00 10.00 H new ATOM 0 HA THR A 8 38.451 21.989 20.428 1.00 10.00 H new ATOM 0 HB THR A 8 39.822 24.625 21.021 1.00 10.00 H new ATOM 0 HG1 THR A 8 41.103 23.726 19.184 1.00 10.00 H new ATOM 0 HG21 THR A 8 41.675 23.136 21.502 1.00 10.00 H new ATOM 0 HG22 THR A 8 40.290 22.740 22.547 1.00 10.00 H new ATOM 0 HG23 THR A 8 40.661 21.719 21.138 1.00 10.00 H new ATOM 92 N SER A 9 36.374 22.400 22.029 1.00 10.00 N ATOM 93 CA SER A 9 35.459 22.304 23.241 1.00 10.00 C ATOM 94 C SER A 9 35.879 21.236 24.227 1.00 10.00 C ATOM 95 O SER A 9 35.591 21.263 25.381 1.00 10.00 O ATOM 96 CB SER A 9 34.063 21.907 22.861 1.00 10.00 C ATOM 97 OG SER A 9 33.984 20.638 22.128 1.00 10.00 O ATOM 0 H SER A 9 35.942 22.067 21.167 1.00 10.00 H new ATOM 0 HA SER A 9 35.516 23.301 23.678 1.00 10.00 H new ATOM 0 HB2 SER A 9 33.459 21.831 23.765 1.00 10.00 H new ATOM 0 HB3 SER A 9 33.625 22.696 22.250 1.00 10.00 H new ATOM 0 HG SER A 9 34.885 20.354 21.868 1.00 10.00 H new ATOM 103 N SER A 10 36.866 20.413 23.838 1.00 10.00 N ATOM 104 CA SER A 10 37.584 19.489 24.726 1.00 10.00 C ATOM 105 C SER A 10 38.368 20.325 25.757 1.00 10.00 C ATOM 106 O SER A 10 38.700 19.799 26.828 1.00 10.00 O ATOM 107 CB SER A 10 38.641 18.656 24.010 1.00 10.00 C ATOM 108 OG SER A 10 38.006 17.877 23.082 1.00 10.00 O ATOM 0 H SER A 10 37.194 20.372 22.873 1.00 10.00 H new ATOM 0 HA SER A 10 36.830 18.829 25.155 1.00 10.00 H new ATOM 0 HB2 SER A 10 39.374 19.303 23.528 1.00 10.00 H new ATOM 0 HB3 SER A 10 39.184 18.035 24.722 1.00 10.00 H new ATOM 0 HG SER A 10 37.762 18.425 22.307 1.00 10.00 H new ATOM 114 N GLU A 11 38.748 21.590 25.491 1.00 10.00 N ATOM 115 CA GLU A 11 39.492 22.478 26.482 1.00 10.00 C ATOM 116 C GLU A 11 38.627 23.463 27.348 1.00 10.00 C ATOM 117 O GLU A 11 39.144 24.100 28.286 1.00 10.00 O ATOM 118 CB GLU A 11 40.564 23.220 25.637 1.00 10.00 C ATOM 119 CG GLU A 11 41.824 22.472 25.304 1.00 10.00 C ATOM 120 CD GLU A 11 42.949 23.409 24.739 1.00 10.00 C ATOM 121 OE1 GLU A 11 42.979 24.649 24.995 1.00 10.00 O ATOM 122 OE2 GLU A 11 43.819 22.953 23.991 1.00 10.00 O ATOM 0 H GLU A 11 38.562 22.047 24.598 1.00 10.00 H new ATOM 0 HA GLU A 11 39.915 21.845 27.262 1.00 10.00 H new ATOM 0 HB2 GLU A 11 40.099 23.530 24.701 1.00 10.00 H new ATOM 0 HB3 GLU A 11 40.843 24.129 26.170 1.00 10.00 H new ATOM 0 HG2 GLU A 11 42.191 21.968 26.198 1.00 10.00 H new ATOM 0 HG3 GLU A 11 41.599 21.697 24.571 1.00 10.00 H new ATOM 129 N ILE A 12 37.368 23.652 26.981 1.00 10.00 N ATOM 130 CA ILE A 12 36.382 24.389 27.786 1.00 10.00 C ATOM 131 C ILE A 12 35.517 23.530 28.687 1.00 10.00 C ATOM 132 O ILE A 12 34.833 24.121 29.557 1.00 10.00 O ATOM 133 CB ILE A 12 35.556 25.389 26.948 1.00 10.00 C ATOM 134 CG1 ILE A 12 34.513 24.742 25.970 1.00 10.00 C ATOM 135 CG2 ILE A 12 36.459 26.361 26.233 1.00 10.00 C ATOM 136 CD1 ILE A 12 33.237 25.588 25.882 1.00 10.00 C ATOM 0 H ILE A 12 36.989 23.296 26.104 1.00 10.00 H new ATOM 0 HA ILE A 12 36.989 24.975 28.477 1.00 10.00 H new ATOM 0 HB ILE A 12 34.945 25.929 27.671 1.00 10.00 H new ATOM 0 HG12 ILE A 12 34.954 24.641 24.979 1.00 10.00 H new ATOM 0 HG13 ILE A 12 34.264 23.738 26.312 1.00 10.00 H new ATOM 0 HG21 ILE A 12 35.856 27.056 25.649 1.00 10.00 H new ATOM 0 HG22 ILE A 12 37.047 26.916 26.964 1.00 10.00 H new ATOM 0 HG23 ILE A 12 37.128 25.815 25.569 1.00 10.00 H new ATOM 0 HD11 ILE A 12 32.533 25.115 25.197 1.00 10.00 H new ATOM 0 HD12 ILE A 12 32.784 25.667 26.870 1.00 10.00 H new ATOM 0 HD13 ILE A 12 33.485 26.584 25.516 1.00 10.00 H new ATOM 148 N THR A 13 35.463 22.266 28.472 1.00 10.00 N ATOM 149 CA THR A 13 34.553 21.314 29.130 1.00 10.00 C ATOM 150 C THR A 13 34.433 21.302 30.642 1.00 10.00 C ATOM 151 O THR A 13 33.359 20.907 31.108 1.00 10.00 O ATOM 152 CB THR A 13 34.755 19.924 28.474 1.00 10.00 C ATOM 153 OG1 THR A 13 33.828 18.942 28.943 1.00 10.00 O ATOM 154 CG2 THR A 13 36.201 19.418 28.670 1.00 10.00 C ATOM 0 H THR A 13 36.077 21.811 27.797 1.00 10.00 H new ATOM 0 HA THR A 13 33.551 21.700 28.940 1.00 10.00 H new ATOM 0 HB THR A 13 34.564 20.067 27.410 1.00 10.00 H new ATOM 0 HG1 THR A 13 34.001 18.088 28.495 1.00 10.00 H new ATOM 0 HG21 THR A 13 36.312 18.441 28.199 1.00 10.00 H new ATOM 0 HG22 THR A 13 36.898 20.122 28.214 1.00 10.00 H new ATOM 0 HG23 THR A 13 36.416 19.334 29.735 1.00 10.00 H new ATOM 162 N THR A 14 35.442 21.691 31.364 1.00 10.00 N ATOM 163 CA THR A 14 35.247 21.764 32.896 1.00 10.00 C ATOM 164 C THR A 14 34.593 23.043 33.296 1.00 10.00 C ATOM 165 O THR A 14 33.752 23.064 34.163 1.00 10.00 O ATOM 166 CB THR A 14 36.556 21.556 33.623 1.00 10.00 C ATOM 167 OG1 THR A 14 37.145 20.376 33.086 1.00 10.00 O ATOM 168 CG2 THR A 14 36.504 21.435 35.159 1.00 10.00 C ATOM 0 H THR A 14 36.362 21.956 31.013 1.00 10.00 H new ATOM 0 HA THR A 14 34.580 20.953 33.187 1.00 10.00 H new ATOM 0 HB THR A 14 37.131 22.467 33.459 1.00 10.00 H new ATOM 0 HG1 THR A 14 38.001 20.206 33.532 1.00 10.00 H new ATOM 0 HG21 THR A 14 37.512 21.289 35.547 1.00 10.00 H new ATOM 0 HG22 THR A 14 36.081 22.346 35.582 1.00 10.00 H new ATOM 0 HG23 THR A 14 35.882 20.584 35.436 1.00 10.00 H new ATOM 176 N LYS A 15 34.882 24.077 32.575 1.00 10.00 N ATOM 177 CA LYS A 15 34.228 25.380 32.497 1.00 10.00 C ATOM 178 C LYS A 15 32.761 25.295 32.122 1.00 10.00 C ATOM 179 O LYS A 15 31.914 25.784 32.872 1.00 10.00 O ATOM 180 CB LYS A 15 34.975 26.494 31.743 1.00 10.00 C ATOM 181 CG LYS A 15 36.519 26.358 31.786 1.00 10.00 C ATOM 182 CD LYS A 15 37.021 27.275 30.634 1.00 10.00 C ATOM 183 CE LYS A 15 38.537 26.943 30.347 1.00 10.00 C ATOM 184 NZ LYS A 15 39.128 28.070 29.591 1.00 10.00 N ATOM 0 H LYS A 15 35.680 24.042 31.941 1.00 10.00 H new ATOM 0 HA LYS A 15 34.279 25.720 33.531 1.00 10.00 H new ATOM 0 HB2 LYS A 15 34.649 26.496 30.703 1.00 10.00 H new ATOM 0 HB3 LYS A 15 34.693 27.458 32.167 1.00 10.00 H new ATOM 0 HG2 LYS A 15 36.919 26.675 32.749 1.00 10.00 H new ATOM 0 HG3 LYS A 15 36.831 25.324 31.636 1.00 10.00 H new ATOM 0 HD2 LYS A 15 36.423 27.116 29.737 1.00 10.00 H new ATOM 0 HD3 LYS A 15 36.909 28.324 30.910 1.00 10.00 H new ATOM 0 HE2 LYS A 15 39.075 26.790 31.282 1.00 10.00 H new ATOM 0 HE3 LYS A 15 38.621 26.018 29.776 1.00 10.00 H new ATOM 0 HZ1 LYS A 15 40.129 27.868 29.393 1.00 10.00 H new ATOM 0 HZ2 LYS A 15 38.615 28.193 28.695 1.00 10.00 H new ATOM 0 HZ3 LYS A 15 39.056 28.941 30.154 1.00 10.00 H new ATOM 198 N ASP A 16 32.416 24.564 31.071 1.00 10.00 N ATOM 199 CA ASP A 16 31.028 24.222 30.653 1.00 10.00 C ATOM 200 C ASP A 16 30.382 23.385 31.730 1.00 10.00 C ATOM 201 O ASP A 16 29.252 23.581 32.053 1.00 10.00 O ATOM 202 CB ASP A 16 31.077 23.392 29.380 1.00 10.00 C ATOM 203 CG ASP A 16 29.700 23.018 28.802 1.00 10.00 C ATOM 204 OD1 ASP A 16 28.959 23.931 28.375 1.00 10.00 O ATOM 205 OD2 ASP A 16 29.202 21.834 28.853 1.00 10.00 O ATOM 0 H ASP A 16 33.116 24.166 30.445 1.00 10.00 H new ATOM 0 HA ASP A 16 30.463 25.139 30.488 1.00 10.00 H new ATOM 0 HB2 ASP A 16 31.635 23.944 28.624 1.00 10.00 H new ATOM 0 HB3 ASP A 16 31.632 22.476 29.581 1.00 10.00 H new ATOM 210 N LEU A 17 31.125 22.505 32.521 1.00 10.00 N ATOM 211 CA LEU A 17 30.441 21.678 33.460 1.00 10.00 C ATOM 212 C LEU A 17 30.061 22.283 34.797 1.00 10.00 C ATOM 213 O LEU A 17 29.132 21.765 35.404 1.00 10.00 O ATOM 214 CB LEU A 17 31.171 20.332 33.627 1.00 10.00 C ATOM 215 CG LEU A 17 30.924 19.476 32.377 1.00 10.00 C ATOM 216 CD1 LEU A 17 31.932 18.282 32.273 1.00 10.00 C ATOM 217 CD2 LEU A 17 29.510 18.848 32.442 1.00 10.00 C ATOM 0 H LEU A 17 32.139 22.395 32.490 1.00 10.00 H new ATOM 0 HA LEU A 17 29.464 21.532 32.999 1.00 10.00 H new ATOM 0 HB2 LEU A 17 32.239 20.497 33.766 1.00 10.00 H new ATOM 0 HB3 LEU A 17 30.810 19.815 34.516 1.00 10.00 H new ATOM 0 HG LEU A 17 31.042 20.139 31.520 1.00 10.00 H new ATOM 0 HD11 LEU A 17 31.720 17.704 31.374 1.00 10.00 H new ATOM 0 HD12 LEU A 17 32.950 18.668 32.224 1.00 10.00 H new ATOM 0 HD13 LEU A 17 31.829 17.641 33.149 1.00 10.00 H new ATOM 0 HD21 LEU A 17 29.340 18.242 31.552 1.00 10.00 H new ATOM 0 HD22 LEU A 17 29.431 18.220 33.330 1.00 10.00 H new ATOM 0 HD23 LEU A 17 28.762 19.640 32.490 1.00 10.00 H new ATOM 229 N LYS A 18 30.661 23.441 35.143 1.00 10.00 N ATOM 230 CA LYS A 18 30.261 24.345 36.246 1.00 10.00 C ATOM 231 C LYS A 18 28.980 25.036 35.910 1.00 10.00 C ATOM 232 O LYS A 18 28.254 25.331 36.856 1.00 10.00 O ATOM 233 CB LYS A 18 31.395 25.289 36.597 1.00 10.00 C ATOM 234 CG LYS A 18 32.184 24.856 37.768 1.00 10.00 C ATOM 235 CD LYS A 18 32.993 23.595 37.425 1.00 10.00 C ATOM 236 CE LYS A 18 33.575 22.949 38.756 1.00 10.00 C ATOM 237 NZ LYS A 18 34.594 23.783 39.345 1.00 10.00 N ATOM 0 H LYS A 18 31.476 23.789 34.638 1.00 10.00 H new ATOM 0 HA LYS A 18 30.065 23.765 37.148 1.00 10.00 H new ATOM 0 HB2 LYS A 18 32.058 25.382 35.737 1.00 10.00 H new ATOM 0 HB3 LYS A 18 30.985 26.280 36.792 1.00 10.00 H new ATOM 0 HG2 LYS A 18 32.857 25.655 38.078 1.00 10.00 H new ATOM 0 HG3 LYS A 18 31.520 24.654 38.609 1.00 10.00 H new ATOM 0 HD2 LYS A 18 32.359 22.875 36.908 1.00 10.00 H new ATOM 0 HD3 LYS A 18 33.808 23.848 36.746 1.00 10.00 H new ATOM 0 HE2 LYS A 18 32.767 22.798 39.472 1.00 10.00 H new ATOM 0 HE3 LYS A 18 33.991 21.966 38.533 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 34.953 23.333 40.211 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 35.375 23.906 38.670 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 34.190 24.712 39.579 1.00 10.00 H new ATOM 251 N GLU A 19 28.731 25.251 34.590 1.00 10.00 N ATOM 252 CA GLU A 19 27.531 25.756 34.042 1.00 10.00 C ATOM 253 C GLU A 19 26.474 24.732 34.124 1.00 10.00 C ATOM 254 O GLU A 19 25.449 24.997 34.787 1.00 10.00 O ATOM 255 CB GLU A 19 27.831 26.148 32.585 1.00 10.00 C ATOM 256 CG GLU A 19 26.901 27.346 32.231 1.00 10.00 C ATOM 257 CD GLU A 19 27.119 27.804 30.763 1.00 10.00 C ATOM 258 OE1 GLU A 19 28.030 28.650 30.525 1.00 10.00 O ATOM 259 OE2 GLU A 19 26.477 27.287 29.811 1.00 10.00 O ATOM 0 H GLU A 19 29.430 25.052 33.874 1.00 10.00 H new ATOM 0 HA GLU A 19 27.174 26.627 34.592 1.00 10.00 H new ATOM 0 HB2 GLU A 19 28.878 26.426 32.469 1.00 10.00 H new ATOM 0 HB3 GLU A 19 27.649 25.308 31.915 1.00 10.00 H new ATOM 0 HG2 GLU A 19 25.860 27.058 32.375 1.00 10.00 H new ATOM 0 HG3 GLU A 19 27.098 28.177 32.908 1.00 10.00 H new ATOM 266 N LYS A 20 26.723 23.505 33.809 1.00 10.00 N ATOM 267 CA LYS A 20 25.788 22.342 33.786 1.00 10.00 C ATOM 268 C LYS A 20 25.333 21.936 35.198 1.00 10.00 C ATOM 269 O LYS A 20 24.455 21.043 35.370 1.00 10.00 O ATOM 270 CB LYS A 20 26.464 21.105 33.071 1.00 10.00 C ATOM 271 CG LYS A 20 26.701 21.331 31.543 1.00 10.00 C ATOM 272 CD LYS A 20 25.501 21.739 30.662 1.00 10.00 C ATOM 273 CE LYS A 20 25.627 21.198 29.221 1.00 10.00 C ATOM 274 NZ LYS A 20 26.574 21.853 28.383 1.00 10.00 N ATOM 0 H LYS A 20 27.663 23.225 33.529 1.00 10.00 H new ATOM 0 HA LYS A 20 24.906 22.653 33.226 1.00 10.00 H new ATOM 0 HB2 LYS A 20 27.418 20.892 33.553 1.00 10.00 H new ATOM 0 HB3 LYS A 20 25.835 20.226 33.208 1.00 10.00 H new ATOM 0 HG2 LYS A 20 27.466 22.100 31.437 1.00 10.00 H new ATOM 0 HG3 LYS A 20 27.115 20.410 31.132 1.00 10.00 H new ATOM 0 HD2 LYS A 20 24.580 21.366 31.110 1.00 10.00 H new ATOM 0 HD3 LYS A 20 25.425 22.826 30.635 1.00 10.00 H new ATOM 0 HE2 LYS A 20 25.890 20.141 29.274 1.00 10.00 H new ATOM 0 HE3 LYS A 20 24.648 21.260 28.745 1.00 10.00 H new ATOM 0 HZ1 LYS A 20 26.501 21.476 27.416 1.00 10.00 H new ATOM 0 HZ2 LYS A 20 26.380 22.875 28.372 1.00 10.00 H new ATOM 0 HZ3 LYS A 20 27.534 21.687 28.748 1.00 10.00 H new ATOM 288 N LYS A 21 26.089 22.405 36.186 1.00 10.00 N ATOM 289 CA LYS A 21 25.874 22.308 37.654 1.00 10.00 C ATOM 290 C LYS A 21 25.120 23.516 38.219 1.00 10.00 C ATOM 291 O LYS A 21 24.449 23.385 39.225 1.00 10.00 O ATOM 292 CB LYS A 21 27.165 22.121 38.456 1.00 10.00 C ATOM 293 CG LYS A 21 27.759 20.686 38.259 1.00 10.00 C ATOM 294 CD LYS A 21 29.103 20.526 38.935 1.00 10.00 C ATOM 295 CE LYS A 21 29.493 19.035 38.978 1.00 10.00 C ATOM 296 NZ LYS A 21 30.523 18.822 40.067 1.00 10.00 N ATOM 0 H LYS A 21 26.950 22.911 35.977 1.00 10.00 H new ATOM 0 HA LYS A 21 25.266 21.411 37.770 1.00 10.00 H new ATOM 0 HB2 LYS A 21 27.898 22.865 38.146 1.00 10.00 H new ATOM 0 HB3 LYS A 21 26.965 22.291 39.514 1.00 10.00 H new ATOM 0 HG2 LYS A 21 27.063 19.949 38.659 1.00 10.00 H new ATOM 0 HG3 LYS A 21 27.863 20.481 37.194 1.00 10.00 H new ATOM 0 HD2 LYS A 21 29.861 21.094 38.396 1.00 10.00 H new ATOM 0 HD3 LYS A 21 29.062 20.930 39.947 1.00 10.00 H new ATOM 0 HE2 LYS A 21 28.612 18.422 39.169 1.00 10.00 H new ATOM 0 HE3 LYS A 21 29.896 18.724 38.014 1.00 10.00 H new ATOM 0 HZ1 LYS A 21 30.790 17.817 40.101 1.00 10.00 H new ATOM 0 HZ2 LYS A 21 31.365 19.398 39.865 1.00 10.00 H new ATOM 0 HZ3 LYS A 21 30.122 19.105 40.984 1.00 10.00 H new ATOM 310 N GLU A 22 25.198 24.673 37.584 1.00 10.00 N ATOM 311 CA GLU A 22 24.568 25.998 37.993 1.00 10.00 C ATOM 312 C GLU A 22 23.178 26.049 37.429 1.00 10.00 C ATOM 313 O GLU A 22 22.160 26.176 38.105 1.00 10.00 O ATOM 314 CB GLU A 22 25.362 27.149 37.382 1.00 10.00 C ATOM 315 CG GLU A 22 24.958 28.576 37.895 1.00 10.00 C ATOM 316 CD GLU A 22 25.959 29.646 37.494 1.00 10.00 C ATOM 317 OE1 GLU A 22 27.251 29.588 37.618 1.00 10.00 O ATOM 318 OE2 GLU A 22 25.514 30.633 36.821 1.00 10.00 O ATOM 0 H GLU A 22 25.724 24.759 36.715 1.00 10.00 H new ATOM 0 HA GLU A 22 24.560 26.083 39.080 1.00 10.00 H new ATOM 0 HB2 GLU A 22 26.421 26.991 37.588 1.00 10.00 H new ATOM 0 HB3 GLU A 22 25.241 27.120 36.299 1.00 10.00 H new ATOM 0 HG2 GLU A 22 23.976 28.836 37.499 1.00 10.00 H new ATOM 0 HG3 GLU A 22 24.869 28.556 38.981 1.00 10.00 H new ATOM 325 N VAL A 23 23.063 25.748 36.138 1.00 10.00 N ATOM 326 CA VAL A 23 21.829 25.538 35.362 1.00 10.00 C ATOM 327 C VAL A 23 20.972 24.476 36.015 1.00 10.00 C ATOM 328 O VAL A 23 19.766 24.535 36.007 1.00 10.00 O ATOM 329 CB VAL A 23 22.088 25.110 33.924 1.00 10.00 C ATOM 330 CG1 VAL A 23 22.634 23.671 33.727 1.00 10.00 C ATOM 331 CG2 VAL A 23 20.915 25.417 33.032 1.00 10.00 C ATOM 0 H VAL A 23 23.892 25.634 35.555 1.00 10.00 H new ATOM 0 HA VAL A 23 21.322 26.503 35.346 1.00 10.00 H new ATOM 0 HB VAL A 23 22.927 25.731 33.608 1.00 10.00 H new ATOM 0 HG11 VAL A 23 22.779 23.479 32.664 1.00 10.00 H new ATOM 0 HG12 VAL A 23 23.586 23.569 34.248 1.00 10.00 H new ATOM 0 HG13 VAL A 23 21.921 22.953 34.131 1.00 10.00 H new ATOM 0 HG21 VAL A 23 21.138 25.097 32.014 1.00 10.00 H new ATOM 0 HG22 VAL A 23 20.034 24.887 33.394 1.00 10.00 H new ATOM 0 HG23 VAL A 23 20.722 26.490 33.041 1.00 10.00 H new ATOM 341 N VAL A 24 21.681 23.587 36.655 1.00 10.00 N ATOM 342 CA VAL A 24 20.950 22.448 37.285 1.00 10.00 C ATOM 343 C VAL A 24 20.592 22.583 38.751 1.00 10.00 C ATOM 344 O VAL A 24 19.507 22.137 39.193 1.00 10.00 O ATOM 345 CB VAL A 24 21.639 21.127 36.934 1.00 10.00 C ATOM 346 CG1 VAL A 24 22.626 20.675 38.099 1.00 10.00 C ATOM 347 CG2 VAL A 24 20.622 20.051 36.587 1.00 10.00 C ATOM 0 H VAL A 24 22.695 23.594 36.768 1.00 10.00 H new ATOM 0 HA VAL A 24 19.956 22.463 36.838 1.00 10.00 H new ATOM 0 HB VAL A 24 22.246 21.283 36.042 1.00 10.00 H new ATOM 0 HG11 VAL A 24 23.104 19.734 37.826 1.00 10.00 H new ATOM 0 HG12 VAL A 24 23.389 21.440 38.247 1.00 10.00 H new ATOM 0 HG13 VAL A 24 22.062 20.542 39.022 1.00 10.00 H new ATOM 0 HG21 VAL A 24 21.142 19.125 36.342 1.00 10.00 H new ATOM 0 HG22 VAL A 24 19.964 19.884 37.440 1.00 10.00 H new ATOM 0 HG23 VAL A 24 20.030 20.372 35.730 1.00 10.00 H new ATOM 357 N GLU A 25 21.351 23.355 39.495 1.00 10.00 N ATOM 358 CA GLU A 25 20.895 23.805 40.803 1.00 10.00 C ATOM 359 C GLU A 25 19.775 24.871 40.827 1.00 10.00 C ATOM 360 O GLU A 25 18.862 24.832 41.638 1.00 10.00 O ATOM 361 CB GLU A 25 22.107 24.453 41.459 1.00 10.00 C ATOM 362 CG GLU A 25 23.061 23.391 42.070 1.00 10.00 C ATOM 363 CD GLU A 25 22.447 22.784 43.367 1.00 10.00 C ATOM 364 OE1 GLU A 25 21.457 22.044 43.241 1.00 10.00 O ATOM 365 OE2 GLU A 25 23.157 22.820 44.394 1.00 10.00 O ATOM 0 H GLU A 25 22.278 23.685 39.226 1.00 10.00 H new ATOM 0 HA GLU A 25 20.476 22.927 41.295 1.00 10.00 H new ATOM 0 HB2 GLU A 25 22.647 25.047 40.721 1.00 10.00 H new ATOM 0 HB3 GLU A 25 21.776 25.138 42.240 1.00 10.00 H new ATOM 0 HG2 GLU A 25 23.246 22.600 41.344 1.00 10.00 H new ATOM 0 HG3 GLU A 25 24.025 23.847 42.296 1.00 10.00 H new ATOM 372 N GLU A 26 19.930 25.871 39.924 1.00 10.00 N ATOM 373 CA GLU A 26 18.887 26.863 39.606 1.00 10.00 C ATOM 374 C GLU A 26 17.530 26.305 39.220 1.00 10.00 C ATOM 375 O GLU A 26 16.486 26.909 39.504 1.00 10.00 O ATOM 376 CB GLU A 26 19.401 27.960 38.629 1.00 10.00 C ATOM 377 CG GLU A 26 20.463 28.786 39.303 1.00 10.00 C ATOM 378 CD GLU A 26 19.910 29.572 40.490 1.00 10.00 C ATOM 379 OE1 GLU A 26 19.172 30.571 40.363 1.00 10.00 O ATOM 380 OE2 GLU A 26 20.252 29.187 41.638 1.00 10.00 O ATOM 0 H GLU A 26 20.791 26.008 39.395 1.00 10.00 H new ATOM 0 HA GLU A 26 18.681 27.345 40.562 1.00 10.00 H new ATOM 0 HB2 GLU A 26 19.804 27.498 37.728 1.00 10.00 H new ATOM 0 HB3 GLU A 26 18.574 28.598 38.317 1.00 10.00 H new ATOM 0 HG2 GLU A 26 21.268 28.134 39.643 1.00 10.00 H new ATOM 0 HG3 GLU A 26 20.897 29.478 38.581 1.00 10.00 H new ATOM 387 N ALA A 27 17.529 25.115 38.598 1.00 10.00 N ATOM 388 CA ALA A 27 16.224 24.445 38.383 1.00 10.00 C ATOM 389 C ALA A 27 15.489 24.013 39.640 1.00 10.00 C ATOM 390 O ALA A 27 14.274 24.263 39.776 1.00 10.00 O ATOM 391 CB ALA A 27 16.386 23.353 37.364 1.00 10.00 C ATOM 0 H ALA A 27 18.352 24.620 38.254 1.00 10.00 H new ATOM 0 HA ALA A 27 15.544 25.199 37.986 1.00 10.00 H new ATOM 0 HB1 ALA A 27 15.428 22.859 37.204 1.00 10.00 H new ATOM 0 HB2 ALA A 27 16.734 23.781 36.424 1.00 10.00 H new ATOM 0 HB3 ALA A 27 17.114 22.625 37.723 1.00 10.00 H new