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 -83:sc= 1.23 USER MOD Single : A 10 SER OG : rot 88:sc= 1.27 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+ -179:sc= 0 (180deg=-0.00276) USER MOD Single : A 20 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.242) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N ASP A 3 35.669 18.009 16.305 1.00 10.00 N ATOM 19 CA ASP A 3 35.557 19.015 17.370 1.00 10.00 C ATOM 20 C ASP A 3 36.072 20.427 16.891 1.00 10.00 C ATOM 21 O ASP A 3 35.868 21.437 17.609 1.00 10.00 O ATOM 22 CB ASP A 3 36.042 18.456 18.694 1.00 10.00 C ATOM 23 CG ASP A 3 35.665 19.258 19.918 1.00 10.00 C ATOM 24 OD1 ASP A 3 34.476 19.666 19.992 1.00 10.00 O ATOM 25 OD2 ASP A 3 36.453 19.399 20.932 1.00 10.00 O ATOM 0 HA ASP A 3 34.515 19.243 17.594 1.00 10.00 H new ATOM 0 HB2 ASP A 3 35.648 17.446 18.808 1.00 10.00 H new ATOM 0 HB3 ASP A 3 37.128 18.372 18.657 1.00 10.00 H new ATOM 30 N ALA A 4 36.677 20.484 15.685 1.00 10.00 N ATOM 31 CA ALA A 4 37.090 21.798 15.054 1.00 10.00 C ATOM 32 C ALA A 4 35.801 22.636 14.665 1.00 10.00 C ATOM 33 O ALA A 4 35.830 23.785 14.977 1.00 10.00 O ATOM 34 CB ALA A 4 38.101 21.572 13.962 1.00 10.00 C ATOM 0 H ALA A 4 36.896 19.662 15.122 1.00 10.00 H new ATOM 0 HA ALA A 4 37.622 22.427 15.767 1.00 10.00 H new ATOM 0 HB1 ALA A 4 38.383 22.529 13.523 1.00 10.00 H new ATOM 0 HB2 ALA A 4 38.985 21.089 14.379 1.00 10.00 H new ATOM 0 HB3 ALA A 4 37.668 20.933 13.192 1.00 10.00 H new ATOM 40 N ALA A 5 34.788 22.044 14.028 1.00 10.00 N ATOM 41 CA ALA A 5 33.442 22.658 13.799 1.00 10.00 C ATOM 42 C ALA A 5 32.721 23.098 15.020 1.00 10.00 C ATOM 43 O ALA A 5 31.613 23.678 14.864 1.00 10.00 O ATOM 44 CB ALA A 5 32.653 21.594 13.004 1.00 10.00 C ATOM 0 H ALA A 5 34.864 21.103 13.642 1.00 10.00 H new ATOM 0 HA ALA A 5 33.556 23.598 13.259 1.00 10.00 H new ATOM 0 HB1 ALA A 5 31.650 21.966 12.794 1.00 10.00 H new ATOM 0 HB2 ALA A 5 33.167 21.386 12.066 1.00 10.00 H new ATOM 0 HB3 ALA A 5 32.584 20.678 13.591 1.00 10.00 H new ATOM 50 N VAL A 6 33.258 22.774 16.209 1.00 10.00 N ATOM 51 CA VAL A 6 32.626 23.177 17.477 1.00 10.00 C ATOM 52 C VAL A 6 33.596 24.197 18.224 1.00 10.00 C ATOM 53 O VAL A 6 33.404 24.681 19.342 1.00 10.00 O ATOM 54 CB VAL A 6 32.278 21.988 18.416 1.00 10.00 C ATOM 55 CG1 VAL A 6 31.171 22.407 19.433 1.00 10.00 C ATOM 56 CG2 VAL A 6 31.714 20.747 17.692 1.00 10.00 C ATOM 0 H VAL A 6 34.120 22.239 16.318 1.00 10.00 H new ATOM 0 HA VAL A 6 31.673 23.644 17.229 1.00 10.00 H new ATOM 0 HB VAL A 6 33.227 21.732 18.886 1.00 10.00 H new ATOM 0 HG11 VAL A 6 30.937 21.565 20.084 1.00 10.00 H new ATOM 0 HG12 VAL A 6 31.527 23.243 20.035 1.00 10.00 H new ATOM 0 HG13 VAL A 6 30.274 22.707 18.891 1.00 10.00 H new ATOM 0 HG21 VAL A 6 31.499 19.966 18.422 1.00 10.00 H new ATOM 0 HG22 VAL A 6 30.797 21.017 17.168 1.00 10.00 H new ATOM 0 HG23 VAL A 6 32.447 20.380 16.974 1.00 10.00 H new ATOM 66 N ASP A 7 34.723 24.514 17.501 1.00 10.00 N ATOM 67 CA ASP A 7 35.824 25.274 18.004 1.00 10.00 C ATOM 68 C ASP A 7 36.485 24.724 19.276 1.00 10.00 C ATOM 69 O ASP A 7 36.849 25.408 20.220 1.00 10.00 O ATOM 70 CB ASP A 7 35.410 26.797 18.159 1.00 10.00 C ATOM 71 CG ASP A 7 36.542 27.726 18.499 1.00 10.00 C ATOM 72 OD1 ASP A 7 37.622 27.478 17.950 1.00 10.00 O ATOM 73 OD2 ASP A 7 36.485 28.607 19.405 1.00 10.00 O ATOM 0 H ASP A 7 34.851 24.220 16.533 1.00 10.00 H new ATOM 0 HA ASP A 7 36.609 25.182 17.254 1.00 10.00 H new ATOM 0 HB2 ASP A 7 34.951 27.131 17.228 1.00 10.00 H new ATOM 0 HB3 ASP A 7 34.649 26.875 18.935 1.00 10.00 H new ATOM 78 N THR A 8 36.727 23.439 19.303 1.00 10.00 N ATOM 79 CA THR A 8 37.365 22.665 20.284 1.00 10.00 C ATOM 80 C THR A 8 36.610 22.715 21.626 1.00 10.00 C ATOM 81 O THR A 8 37.214 23.181 22.604 1.00 10.00 O ATOM 82 CB THR A 8 38.931 22.846 20.412 1.00 10.00 C ATOM 83 OG1 THR A 8 39.548 22.734 19.156 1.00 10.00 O ATOM 84 CG2 THR A 8 39.629 21.819 21.346 1.00 10.00 C ATOM 0 H THR A 8 36.433 22.853 18.522 1.00 10.00 H new ATOM 0 HA THR A 8 37.299 21.642 19.914 1.00 10.00 H new ATOM 0 HB THR A 8 39.049 23.839 20.847 1.00 10.00 H new ATOM 0 HG1 THR A 8 40.516 22.851 19.255 1.00 10.00 H new ATOM 0 HG21 THR A 8 40.700 22.020 21.372 1.00 10.00 H new ATOM 0 HG22 THR A 8 39.219 21.905 22.352 1.00 10.00 H new ATOM 0 HG23 THR A 8 39.458 20.810 20.970 1.00 10.00 H new ATOM 92 N SER A 9 35.434 22.044 21.725 1.00 10.00 N ATOM 93 CA SER A 9 34.706 21.879 22.993 1.00 10.00 C ATOM 94 C SER A 9 35.524 21.106 24.076 1.00 10.00 C ATOM 95 O SER A 9 35.398 21.477 25.256 1.00 10.00 O ATOM 96 CB SER A 9 33.338 21.293 22.759 1.00 10.00 C ATOM 97 OG SER A 9 33.405 19.978 22.286 1.00 10.00 O ATOM 0 H SER A 9 34.972 21.607 20.927 1.00 10.00 H new ATOM 0 HA SER A 9 34.563 22.876 23.411 1.00 10.00 H new ATOM 0 HB2 SER A 9 32.770 21.315 23.689 1.00 10.00 H new ATOM 0 HB3 SER A 9 32.798 21.910 22.041 1.00 10.00 H new ATOM 0 HG SER A 9 33.554 19.986 21.317 1.00 10.00 H new ATOM 103 N SER A 10 36.442 20.223 23.660 1.00 10.00 N ATOM 104 CA SER A 10 37.293 19.448 24.511 1.00 10.00 C ATOM 105 C SER A 10 38.339 20.215 25.358 1.00 10.00 C ATOM 106 O SER A 10 38.974 19.552 26.203 1.00 10.00 O ATOM 107 CB SER A 10 37.959 18.416 23.658 1.00 10.00 C ATOM 108 OG SER A 10 36.996 17.653 22.900 1.00 10.00 O ATOM 0 H SER A 10 36.603 20.036 22.670 1.00 10.00 H new ATOM 0 HA SER A 10 36.643 19.020 25.274 1.00 10.00 H new ATOM 0 HB2 SER A 10 38.657 18.902 22.976 1.00 10.00 H new ATOM 0 HB3 SER A 10 38.543 17.744 24.287 1.00 10.00 H new ATOM 0 HG SER A 10 36.817 18.105 22.049 1.00 10.00 H new ATOM 114 N GLU A 11 38.475 21.480 25.078 1.00 10.00 N ATOM 115 CA GLU A 11 39.363 22.301 25.889 1.00 10.00 C ATOM 116 C GLU A 11 38.592 23.152 26.912 1.00 10.00 C ATOM 117 O GLU A 11 39.136 23.393 27.998 1.00 10.00 O ATOM 118 CB GLU A 11 40.526 22.934 25.183 1.00 10.00 C ATOM 119 CG GLU A 11 41.593 21.980 24.608 1.00 10.00 C ATOM 120 CD GLU A 11 42.640 22.857 23.788 1.00 10.00 C ATOM 121 OE1 GLU A 11 42.441 23.091 22.595 1.00 10.00 O ATOM 122 OE2 GLU A 11 43.589 23.349 24.392 1.00 10.00 O ATOM 0 H GLU A 11 38.001 21.966 24.317 1.00 10.00 H new ATOM 0 HA GLU A 11 39.933 21.604 26.503 1.00 10.00 H new ATOM 0 HB2 GLU A 11 40.138 23.542 24.366 1.00 10.00 H new ATOM 0 HB3 GLU A 11 41.017 23.613 25.879 1.00 10.00 H new ATOM 0 HG2 GLU A 11 42.094 21.439 25.411 1.00 10.00 H new ATOM 0 HG3 GLU A 11 41.130 21.234 23.962 1.00 10.00 H new ATOM 129 N ILE A 12 37.365 23.593 26.559 1.00 10.00 N ATOM 130 CA ILE A 12 36.562 24.435 27.495 1.00 10.00 C ATOM 131 C ILE A 12 35.666 23.662 28.359 1.00 10.00 C ATOM 132 O ILE A 12 35.293 24.158 29.385 1.00 10.00 O ATOM 133 CB ILE A 12 35.654 25.487 26.765 1.00 10.00 C ATOM 134 CG1 ILE A 12 34.774 24.735 25.663 1.00 10.00 C ATOM 135 CG2 ILE A 12 36.516 26.592 26.098 1.00 10.00 C ATOM 136 CD1 ILE A 12 33.571 25.619 25.205 1.00 10.00 C ATOM 0 H ILE A 12 36.914 23.393 25.666 1.00 10.00 H new ATOM 0 HA ILE A 12 37.331 24.932 28.087 1.00 10.00 H new ATOM 0 HB ILE A 12 35.002 25.966 27.496 1.00 10.00 H new ATOM 0 HG12 ILE A 12 35.396 24.488 24.803 1.00 10.00 H new ATOM 0 HG13 ILE A 12 34.404 23.794 26.069 1.00 10.00 H new ATOM 0 HG21 ILE A 12 35.865 27.309 25.598 1.00 10.00 H new ATOM 0 HG22 ILE A 12 37.104 27.104 26.860 1.00 10.00 H new ATOM 0 HG23 ILE A 12 37.186 26.139 25.367 1.00 10.00 H new ATOM 0 HD11 ILE A 12 32.990 25.082 24.455 1.00 10.00 H new ATOM 0 HD12 ILE A 12 32.937 25.844 26.063 1.00 10.00 H new ATOM 0 HD13 ILE A 12 33.945 26.549 24.777 1.00 10.00 H new ATOM 148 N THR A 13 35.384 22.392 28.038 1.00 10.00 N ATOM 149 CA THR A 13 34.396 21.575 28.751 1.00 10.00 C ATOM 150 C THR A 13 34.397 21.550 30.281 1.00 10.00 C ATOM 151 O THR A 13 33.323 21.459 30.839 1.00 10.00 O ATOM 152 CB THR A 13 34.478 20.114 28.266 1.00 10.00 C ATOM 153 OG1 THR A 13 33.761 19.193 29.089 1.00 10.00 O ATOM 154 CG2 THR A 13 35.936 19.586 28.415 1.00 10.00 C ATOM 0 H THR A 13 35.840 21.900 27.270 1.00 10.00 H new ATOM 0 HA THR A 13 33.471 22.093 28.498 1.00 10.00 H new ATOM 0 HB THR A 13 34.086 20.151 27.250 1.00 10.00 H new ATOM 0 HG1 THR A 13 33.854 18.288 28.725 1.00 10.00 H new ATOM 0 HG21 THR A 13 35.986 18.553 28.070 1.00 10.00 H new ATOM 0 HG22 THR A 13 36.609 20.201 27.817 1.00 10.00 H new ATOM 0 HG23 THR A 13 36.235 19.634 29.462 1.00 10.00 H new ATOM 162 N THR A 14 35.513 21.735 31.044 1.00 10.00 N ATOM 163 CA THR A 14 35.408 21.849 32.477 1.00 10.00 C ATOM 164 C THR A 14 34.736 23.144 32.877 1.00 10.00 C ATOM 165 O THR A 14 33.992 23.253 33.894 1.00 10.00 O ATOM 166 CB THR A 14 36.849 21.574 33.087 1.00 10.00 C ATOM 167 OG1 THR A 14 37.396 20.399 32.548 1.00 10.00 O ATOM 168 CG2 THR A 14 36.680 21.253 34.606 1.00 10.00 C ATOM 0 H THR A 14 36.461 21.803 30.675 1.00 10.00 H new ATOM 0 HA THR A 14 34.743 21.099 32.906 1.00 10.00 H new ATOM 0 HB THR A 14 37.474 22.443 32.882 1.00 10.00 H new ATOM 0 HG1 THR A 14 38.284 20.245 32.933 1.00 10.00 H new ATOM 0 HG21 THR A 14 37.657 21.060 35.048 1.00 10.00 H new ATOM 0 HG22 THR A 14 36.216 22.102 35.108 1.00 10.00 H new ATOM 0 HG23 THR A 14 36.048 20.372 34.724 1.00 10.00 H new ATOM 176 N LYS A 15 34.977 24.250 32.190 1.00 10.00 N ATOM 177 CA LYS A 15 34.275 25.596 32.433 1.00 10.00 C ATOM 178 C LYS A 15 32.761 25.454 32.200 1.00 10.00 C ATOM 179 O LYS A 15 31.919 26.012 32.857 1.00 10.00 O ATOM 180 CB LYS A 15 34.917 26.646 31.546 1.00 10.00 C ATOM 181 CG LYS A 15 36.484 26.845 31.658 1.00 10.00 C ATOM 182 CD LYS A 15 37.041 27.839 30.727 1.00 10.00 C ATOM 183 CE LYS A 15 38.507 28.160 31.087 1.00 10.00 C ATOM 184 NZ LYS A 15 39.068 29.148 30.132 1.00 10.00 N ATOM 0 H LYS A 15 35.661 24.287 31.434 1.00 10.00 H new ATOM 0 HA LYS A 15 34.396 25.915 33.468 1.00 10.00 H new ATOM 0 HB2 LYS A 15 34.683 26.399 30.510 1.00 10.00 H new ATOM 0 HB3 LYS A 15 34.441 27.603 31.760 1.00 10.00 H new ATOM 0 HG2 LYS A 15 36.728 27.144 32.677 1.00 10.00 H new ATOM 0 HG3 LYS A 15 36.973 25.887 31.482 1.00 10.00 H new ATOM 0 HD2 LYS A 15 36.986 27.460 29.707 1.00 10.00 H new ATOM 0 HD3 LYS A 15 36.445 28.751 30.761 1.00 10.00 H new ATOM 0 HE2 LYS A 15 38.561 28.554 32.102 1.00 10.00 H new ATOM 0 HE3 LYS A 15 39.102 27.247 31.067 1.00 10.00 H new ATOM 0 HZ1 LYS A 15 40.055 29.355 30.386 1.00 10.00 H new ATOM 0 HZ2 LYS A 15 39.033 28.758 29.169 1.00 10.00 H new ATOM 0 HZ3 LYS A 15 38.510 30.024 30.171 1.00 10.00 H new ATOM 198 N ASP A 16 32.375 24.572 31.337 1.00 10.00 N ATOM 199 CA ASP A 16 31.014 24.269 30.889 1.00 10.00 C ATOM 200 C ASP A 16 30.361 23.255 31.869 1.00 10.00 C ATOM 201 O ASP A 16 29.170 23.167 31.982 1.00 10.00 O ATOM 202 CB ASP A 16 31.063 23.732 29.469 1.00 10.00 C ATOM 203 CG ASP A 16 29.815 23.529 28.687 1.00 10.00 C ATOM 204 OD1 ASP A 16 29.124 24.577 28.407 1.00 10.00 O ATOM 205 OD2 ASP A 16 29.482 22.357 28.366 1.00 10.00 O ATOM 0 H ASP A 16 33.057 23.975 30.869 1.00 10.00 H new ATOM 0 HA ASP A 16 30.403 25.171 30.887 1.00 10.00 H new ATOM 0 HB2 ASP A 16 31.695 24.408 28.893 1.00 10.00 H new ATOM 0 HB3 ASP A 16 31.576 22.771 29.508 1.00 10.00 H new ATOM 210 N LEU A 17 31.134 22.500 32.675 1.00 10.00 N ATOM 211 CA LEU A 17 30.576 21.494 33.573 1.00 10.00 C ATOM 212 C LEU A 17 30.238 22.026 34.989 1.00 10.00 C ATOM 213 O LEU A 17 29.301 21.575 35.650 1.00 10.00 O ATOM 214 CB LEU A 17 31.480 20.275 33.540 1.00 10.00 C ATOM 215 CG LEU A 17 31.268 19.330 32.356 1.00 10.00 C ATOM 216 CD1 LEU A 17 32.416 18.384 32.062 1.00 10.00 C ATOM 217 CD2 LEU A 17 29.941 18.619 32.404 1.00 10.00 C ATOM 0 H LEU A 17 32.150 22.576 32.715 1.00 10.00 H new ATOM 0 HA LEU A 17 29.591 21.196 33.214 1.00 10.00 H new ATOM 0 HB2 LEU A 17 32.516 20.613 33.532 1.00 10.00 H new ATOM 0 HB3 LEU A 17 31.336 19.712 34.462 1.00 10.00 H new ATOM 0 HG LEU A 17 31.247 20.001 31.497 1.00 10.00 H new ATOM 0 HD11 LEU A 17 32.163 17.759 31.205 1.00 10.00 H new ATOM 0 HD12 LEU A 17 33.314 18.960 31.838 1.00 10.00 H new ATOM 0 HD13 LEU A 17 32.598 17.752 32.931 1.00 10.00 H new ATOM 0 HD21 LEU A 17 29.848 17.963 31.538 1.00 10.00 H new ATOM 0 HD22 LEU A 17 29.879 18.026 33.317 1.00 10.00 H new ATOM 0 HD23 LEU A 17 29.135 19.352 32.392 1.00 10.00 H new ATOM 229 N LYS A 18 30.809 23.173 35.316 1.00 10.00 N ATOM 230 CA LYS A 18 30.355 23.978 36.484 1.00 10.00 C ATOM 231 C LYS A 18 29.074 24.737 36.058 1.00 10.00 C ATOM 232 O LYS A 18 28.247 25.086 36.924 1.00 10.00 O ATOM 233 CB LYS A 18 31.455 24.904 36.923 1.00 10.00 C ATOM 234 CG LYS A 18 32.551 24.311 37.859 1.00 10.00 C ATOM 235 CD LYS A 18 33.720 23.740 37.016 1.00 10.00 C ATOM 236 CE LYS A 18 34.766 23.045 37.874 1.00 10.00 C ATOM 237 NZ LYS A 18 35.313 23.882 38.989 1.00 10.00 N ATOM 0 H LYS A 18 31.588 23.584 34.802 1.00 10.00 H new ATOM 0 HA LYS A 18 30.121 23.346 37.341 1.00 10.00 H new ATOM 0 HB2 LYS A 18 31.946 25.293 36.031 1.00 10.00 H new ATOM 0 HB3 LYS A 18 30.999 25.753 37.432 1.00 10.00 H new ATOM 0 HG2 LYS A 18 32.922 25.084 38.533 1.00 10.00 H new ATOM 0 HG3 LYS A 18 32.123 23.525 38.481 1.00 10.00 H new ATOM 0 HD2 LYS A 18 33.326 23.034 36.284 1.00 10.00 H new ATOM 0 HD3 LYS A 18 34.191 24.549 36.457 1.00 10.00 H new ATOM 0 HE2 LYS A 18 34.328 22.141 38.297 1.00 10.00 H new ATOM 0 HE3 LYS A 18 35.591 22.730 37.235 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 36.030 23.339 39.511 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 35.748 24.742 38.597 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 34.542 24.148 39.634 1.00 10.00 H new ATOM 251 N GLU A 19 28.904 24.962 34.787 1.00 10.00 N ATOM 252 CA GLU A 19 27.694 25.545 34.175 1.00 10.00 C ATOM 253 C GLU A 19 26.488 24.576 34.226 1.00 10.00 C ATOM 254 O GLU A 19 25.441 24.977 34.759 1.00 10.00 O ATOM 255 CB GLU A 19 28.006 25.868 32.738 1.00 10.00 C ATOM 256 CG GLU A 19 27.869 27.392 32.672 1.00 10.00 C ATOM 257 CD GLU A 19 28.339 28.004 31.362 1.00 10.00 C ATOM 258 OE1 GLU A 19 27.579 27.988 30.335 1.00 10.00 O ATOM 259 OE2 GLU A 19 29.476 28.552 31.392 1.00 10.00 O ATOM 0 H GLU A 19 29.624 24.742 34.099 1.00 10.00 H new ATOM 0 HA GLU A 19 27.419 26.438 34.736 1.00 10.00 H new ATOM 0 HB2 GLU A 19 29.010 25.544 32.463 1.00 10.00 H new ATOM 0 HB3 GLU A 19 27.314 25.374 32.057 1.00 10.00 H new ATOM 0 HG2 GLU A 19 26.824 27.659 32.830 1.00 10.00 H new ATOM 0 HG3 GLU A 19 28.438 27.832 33.491 1.00 10.00 H new ATOM 266 N LYS A 20 26.787 23.329 33.865 1.00 10.00 N ATOM 267 CA LYS A 20 25.760 22.287 33.901 1.00 10.00 C ATOM 268 C LYS A 20 25.324 21.928 35.358 1.00 10.00 C ATOM 269 O LYS A 20 24.269 21.388 35.493 1.00 10.00 O ATOM 270 CB LYS A 20 26.248 21.026 33.223 1.00 10.00 C ATOM 271 CG LYS A 20 26.419 21.027 31.678 1.00 10.00 C ATOM 272 CD LYS A 20 25.245 21.528 30.800 1.00 10.00 C ATOM 273 CE LYS A 20 25.298 21.034 29.407 1.00 10.00 C ATOM 274 NZ LYS A 20 26.521 21.535 28.823 1.00 10.00 N ATOM 0 H LYS A 20 27.707 23.020 33.552 1.00 10.00 H new ATOM 0 HA LYS A 20 24.899 22.693 33.370 1.00 10.00 H new ATOM 0 HB2 LYS A 20 27.211 20.766 33.662 1.00 10.00 H new ATOM 0 HB3 LYS A 20 25.555 20.224 33.478 1.00 10.00 H new ATOM 0 HG2 LYS A 20 27.291 21.636 31.442 1.00 10.00 H new ATOM 0 HG3 LYS A 20 26.650 20.007 31.370 1.00 10.00 H new ATOM 0 HD2 LYS A 20 24.304 21.215 31.253 1.00 10.00 H new ATOM 0 HD3 LYS A 20 25.248 22.618 30.791 1.00 10.00 H new ATOM 0 HE2 LYS A 20 25.279 19.944 29.384 1.00 10.00 H new ATOM 0 HE3 LYS A 20 24.432 21.380 28.843 1.00 10.00 H new ATOM 0 HZ1 LYS A 20 26.473 21.446 27.788 1.00 10.00 H new ATOM 0 HZ2 LYS A 20 26.644 22.535 29.080 1.00 10.00 H new ATOM 0 HZ3 LYS A 20 27.328 20.984 29.181 1.00 10.00 H new ATOM 288 N LYS A 21 26.099 22.294 36.347 1.00 10.00 N ATOM 289 CA LYS A 21 25.737 22.176 37.818 1.00 10.00 C ATOM 290 C LYS A 21 25.137 23.492 38.428 1.00 10.00 C ATOM 291 O LYS A 21 24.569 23.470 39.535 1.00 10.00 O ATOM 292 CB LYS A 21 26.978 21.730 38.626 1.00 10.00 C ATOM 293 CG LYS A 21 27.370 20.259 38.389 1.00 10.00 C ATOM 294 CD LYS A 21 28.740 19.856 39.040 1.00 10.00 C ATOM 295 CE LYS A 21 29.181 18.418 38.732 1.00 10.00 C ATOM 296 NZ LYS A 21 28.322 17.413 39.323 1.00 10.00 N ATOM 0 H LYS A 21 27.025 22.695 36.196 1.00 10.00 H new ATOM 0 HA LYS A 21 24.950 21.425 37.886 1.00 10.00 H new ATOM 0 HB2 LYS A 21 27.821 22.369 38.364 1.00 10.00 H new ATOM 0 HB3 LYS A 21 26.783 21.879 39.688 1.00 10.00 H new ATOM 0 HG2 LYS A 21 26.586 19.615 38.787 1.00 10.00 H new ATOM 0 HG3 LYS A 21 27.420 20.074 37.316 1.00 10.00 H new ATOM 0 HD2 LYS A 21 29.511 20.543 38.693 1.00 10.00 H new ATOM 0 HD3 LYS A 21 28.667 19.979 40.121 1.00 10.00 H new ATOM 0 HE2 LYS A 21 29.203 18.276 37.651 1.00 10.00 H new ATOM 0 HE3 LYS A 21 30.199 18.273 39.093 1.00 10.00 H new ATOM 0 HZ1 LYS A 21 28.675 16.466 39.077 1.00 10.00 H new ATOM 0 HZ2 LYS A 21 28.319 17.523 40.357 1.00 10.00 H new ATOM 0 HZ3 LYS A 21 27.354 17.527 38.960 1.00 10.00 H new ATOM 310 N GLU A 22 25.315 24.632 37.781 1.00 10.00 N ATOM 311 CA GLU A 22 24.773 25.975 38.116 1.00 10.00 C ATOM 312 C GLU A 22 23.348 26.211 37.561 1.00 10.00 C ATOM 313 O GLU A 22 22.414 26.413 38.316 1.00 10.00 O ATOM 314 CB GLU A 22 25.808 26.954 37.659 1.00 10.00 C ATOM 315 CG GLU A 22 25.472 28.402 38.036 1.00 10.00 C ATOM 316 CD GLU A 22 26.573 29.480 37.787 1.00 10.00 C ATOM 317 OE1 GLU A 22 26.971 29.628 36.577 1.00 10.00 O ATOM 318 OE2 GLU A 22 27.116 30.234 38.611 1.00 10.00 O ATOM 0 H GLU A 22 25.886 24.664 36.936 1.00 10.00 H new ATOM 0 HA GLU A 22 24.610 26.091 39.187 1.00 10.00 H new ATOM 0 HB2 GLU A 22 26.771 26.685 38.094 1.00 10.00 H new ATOM 0 HB3 GLU A 22 25.915 26.882 36.577 1.00 10.00 H new ATOM 0 HG2 GLU A 22 24.580 28.696 37.483 1.00 10.00 H new ATOM 0 HG3 GLU A 22 25.212 28.423 39.094 1.00 10.00 H new ATOM 325 N VAL A 23 23.203 25.905 36.278 1.00 10.00 N ATOM 326 CA VAL A 23 21.951 25.784 35.590 1.00 10.00 C ATOM 327 C VAL A 23 21.116 24.685 36.236 1.00 10.00 C ATOM 328 O VAL A 23 19.904 24.880 36.510 1.00 10.00 O ATOM 329 CB VAL A 23 22.147 25.522 34.064 1.00 10.00 C ATOM 330 CG1 VAL A 23 22.427 24.033 33.643 1.00 10.00 C ATOM 331 CG2 VAL A 23 20.989 25.945 33.261 1.00 10.00 C ATOM 0 H VAL A 23 24.003 25.728 35.671 1.00 10.00 H new ATOM 0 HA VAL A 23 21.420 26.732 35.677 1.00 10.00 H new ATOM 0 HB VAL A 23 23.038 26.118 33.865 1.00 10.00 H new ATOM 0 HG11 VAL A 23 22.545 23.977 32.561 1.00 10.00 H new ATOM 0 HG12 VAL A 23 23.339 23.684 34.126 1.00 10.00 H new ATOM 0 HG13 VAL A 23 21.591 23.405 33.950 1.00 10.00 H new ATOM 0 HG21 VAL A 23 21.181 25.739 32.208 1.00 10.00 H new ATOM 0 HG22 VAL A 23 20.104 25.396 33.582 1.00 10.00 H new ATOM 0 HG23 VAL A 23 20.823 27.014 33.397 1.00 10.00 H new ATOM 341 N VAL A 24 21.782 23.544 36.638 1.00 10.00 N ATOM 342 CA VAL A 24 20.924 22.483 37.268 1.00 10.00 C ATOM 343 C VAL A 24 20.524 22.705 38.765 1.00 10.00 C ATOM 344 O VAL A 24 19.477 22.216 39.166 1.00 10.00 O ATOM 345 CB VAL A 24 21.526 21.116 36.975 1.00 10.00 C ATOM 346 CG1 VAL A 24 22.513 20.662 38.105 1.00 10.00 C ATOM 347 CG2 VAL A 24 20.548 19.955 36.790 1.00 10.00 C ATOM 0 H VAL A 24 22.780 23.351 36.553 1.00 10.00 H new ATOM 0 HA VAL A 24 19.945 22.552 36.793 1.00 10.00 H new ATOM 0 HB VAL A 24 22.015 21.298 36.018 1.00 10.00 H new ATOM 0 HG11 VAL A 24 22.922 19.682 37.859 1.00 10.00 H new ATOM 0 HG12 VAL A 24 23.326 21.383 38.189 1.00 10.00 H new ATOM 0 HG13 VAL A 24 21.979 20.605 39.053 1.00 10.00 H new ATOM 0 HG21 VAL A 24 21.104 19.040 36.587 1.00 10.00 H new ATOM 0 HG22 VAL A 24 19.958 19.828 37.698 1.00 10.00 H new ATOM 0 HG23 VAL A 24 19.884 20.169 35.953 1.00 10.00 H new ATOM 357 N GLU A 25 21.169 23.566 39.488 1.00 10.00 N ATOM 358 CA GLU A 25 20.799 24.099 40.775 1.00 10.00 C ATOM 359 C GLU A 25 19.805 25.178 40.700 1.00 10.00 C ATOM 360 O GLU A 25 18.987 25.326 41.589 1.00 10.00 O ATOM 361 CB GLU A 25 22.012 24.613 41.547 1.00 10.00 C ATOM 362 CG GLU A 25 22.744 23.451 42.169 1.00 10.00 C ATOM 363 CD GLU A 25 22.097 22.793 43.363 1.00 10.00 C ATOM 364 OE1 GLU A 25 21.069 22.099 43.160 1.00 10.00 O ATOM 365 OE2 GLU A 25 22.753 22.675 44.399 1.00 10.00 O ATOM 0 H GLU A 25 22.055 23.955 39.166 1.00 10.00 H new ATOM 0 HA GLU A 25 20.349 23.257 41.301 1.00 10.00 H new ATOM 0 HB2 GLU A 25 22.677 25.159 40.878 1.00 10.00 H new ATOM 0 HB3 GLU A 25 21.694 25.312 42.321 1.00 10.00 H new ATOM 0 HG2 GLU A 25 22.888 22.691 41.401 1.00 10.00 H new ATOM 0 HG3 GLU A 25 23.734 23.795 42.467 1.00 10.00 H new ATOM 372 N GLU A 26 19.823 25.984 39.642 1.00 10.00 N ATOM 373 CA GLU A 26 18.620 26.888 39.365 1.00 10.00 C ATOM 374 C GLU A 26 17.312 26.116 39.104 1.00 10.00 C ATOM 375 O GLU A 26 16.238 26.714 39.371 1.00 10.00 O ATOM 376 CB GLU A 26 18.960 27.840 38.204 1.00 10.00 C ATOM 377 CG GLU A 26 19.861 29.026 38.587 1.00 10.00 C ATOM 378 CD GLU A 26 19.424 29.777 39.805 1.00 10.00 C ATOM 379 OE1 GLU A 26 18.245 30.252 39.871 1.00 10.00 O ATOM 380 OE2 GLU A 26 20.161 29.679 40.856 1.00 10.00 O ATOM 0 H GLU A 26 20.591 26.059 38.975 1.00 10.00 H new ATOM 0 HA GLU A 26 18.427 27.465 40.270 1.00 10.00 H new ATOM 0 HB2 GLU A 26 19.450 27.269 37.416 1.00 10.00 H new ATOM 0 HB3 GLU A 26 18.031 28.227 37.786 1.00 10.00 H new ATOM 0 HG2 GLU A 26 20.874 28.657 38.748 1.00 10.00 H new ATOM 0 HG3 GLU A 26 19.904 29.718 37.746 1.00 10.00 H new ATOM 387 N ALA A 27 17.322 24.896 38.549 1.00 10.00 N ATOM 388 CA ALA A 27 16.076 24.087 38.312 1.00 10.00 C ATOM 389 C ALA A 27 15.301 23.766 39.635 1.00 10.00 C ATOM 390 O ALA A 27 14.068 23.706 39.681 1.00 10.00 O ATOM 391 CB ALA A 27 16.447 22.867 37.499 1.00 10.00 C ATOM 0 H ALA A 27 18.177 24.428 38.247 1.00 10.00 H new ATOM 0 HA ALA A 27 15.359 24.674 37.737 1.00 10.00 H new ATOM 0 HB1 ALA A 27 15.556 22.267 37.316 1.00 10.00 H new ATOM 0 HB2 ALA A 27 16.875 23.181 36.547 1.00 10.00 H new ATOM 0 HB3 ALA A 27 17.178 22.273 38.047 1.00 10.00 H new