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 -63:sc= 1.2 USER MOD Single : A 10 SER OG : rot 83:sc= 1.14 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= -0.0166 (180deg=-0.0207) USER MOD Single : A 20 LYS NZ :NH3+ -155:sc= 1.3 (180deg=0.996) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N ASP A 3 35.036 19.060 16.358 1.00 10.00 N ATOM 19 CA ASP A 3 34.894 20.093 17.413 1.00 10.00 C ATOM 20 C ASP A 3 35.006 21.492 16.806 1.00 10.00 C ATOM 21 O ASP A 3 34.752 22.471 17.471 1.00 10.00 O ATOM 22 CB ASP A 3 35.900 19.734 18.602 1.00 10.00 C ATOM 23 CG ASP A 3 35.632 20.455 19.912 1.00 10.00 C ATOM 24 OD1 ASP A 3 34.567 21.075 20.042 1.00 10.00 O ATOM 25 OD2 ASP A 3 36.530 20.355 20.798 1.00 10.00 O ATOM 0 HA ASP A 3 33.902 20.101 17.865 1.00 10.00 H new ATOM 0 HB2 ASP A 3 35.858 18.660 18.781 1.00 10.00 H new ATOM 0 HB3 ASP A 3 36.916 19.964 18.280 1.00 10.00 H new ATOM 30 N ALA A 4 35.382 21.718 15.470 1.00 10.00 N ATOM 31 CA ALA A 4 35.525 23.043 14.873 1.00 10.00 C ATOM 32 C ALA A 4 34.207 23.727 14.798 1.00 10.00 C ATOM 33 O ALA A 4 34.007 24.831 15.215 1.00 10.00 O ATOM 34 CB ALA A 4 36.178 22.695 13.530 1.00 10.00 C ATOM 0 H ALA A 4 35.583 20.959 14.819 1.00 10.00 H new ATOM 0 HA ALA A 4 36.124 23.766 15.428 1.00 10.00 H new ATOM 0 HB1 ALA A 4 36.349 23.609 12.961 1.00 10.00 H new ATOM 0 HB2 ALA A 4 37.130 22.194 13.707 1.00 10.00 H new ATOM 0 HB3 ALA A 4 35.520 22.034 12.966 1.00 10.00 H new ATOM 40 N ALA A 5 33.143 22.978 14.412 1.00 10.00 N ATOM 41 CA ALA A 5 31.735 23.354 14.380 1.00 10.00 C ATOM 42 C ALA A 5 31.079 23.440 15.777 1.00 10.00 C ATOM 43 O ALA A 5 29.871 23.801 15.834 1.00 10.00 O ATOM 44 CB ALA A 5 31.057 22.487 13.373 1.00 10.00 C ATOM 0 H ALA A 5 33.275 22.019 14.091 1.00 10.00 H new ATOM 0 HA ALA A 5 31.620 24.386 14.050 1.00 10.00 H new ATOM 0 HB1 ALA A 5 29.999 22.744 13.325 1.00 10.00 H new ATOM 0 HB2 ALA A 5 31.513 22.641 12.395 1.00 10.00 H new ATOM 0 HB3 ALA A 5 31.163 21.442 13.662 1.00 10.00 H new ATOM 50 N VAL A 6 31.867 23.284 16.837 1.00 10.00 N ATOM 51 CA VAL A 6 31.387 23.701 18.224 1.00 10.00 C ATOM 52 C VAL A 6 32.495 24.617 18.995 1.00 10.00 C ATOM 53 O VAL A 6 32.428 24.982 20.145 1.00 10.00 O ATOM 54 CB VAL A 6 31.032 22.348 18.995 1.00 10.00 C ATOM 55 CG1 VAL A 6 30.397 22.774 20.343 1.00 10.00 C ATOM 56 CG2 VAL A 6 30.089 21.355 18.190 1.00 10.00 C ATOM 0 H VAL A 6 32.808 22.892 16.806 1.00 10.00 H new ATOM 0 HA VAL A 6 30.505 24.340 18.171 1.00 10.00 H new ATOM 0 HB VAL A 6 31.944 21.768 19.135 1.00 10.00 H new ATOM 0 HG11 VAL A 6 30.132 21.886 20.917 1.00 10.00 H new ATOM 0 HG12 VAL A 6 31.111 23.372 20.909 1.00 10.00 H new ATOM 0 HG13 VAL A 6 29.500 23.364 20.153 1.00 10.00 H new ATOM 0 HG21 VAL A 6 29.902 20.465 18.790 1.00 10.00 H new ATOM 0 HG22 VAL A 6 29.143 21.850 17.970 1.00 10.00 H new ATOM 0 HG23 VAL A 6 30.574 21.068 17.257 1.00 10.00 H new ATOM 66 N ASP A 7 33.470 25.123 18.234 1.00 10.00 N ATOM 67 CA ASP A 7 34.568 26.045 18.689 1.00 10.00 C ATOM 68 C ASP A 7 35.497 25.535 19.732 1.00 10.00 C ATOM 69 O ASP A 7 35.772 26.225 20.716 1.00 10.00 O ATOM 70 CB ASP A 7 34.089 27.561 18.880 1.00 10.00 C ATOM 71 CG ASP A 7 35.110 28.627 18.480 1.00 10.00 C ATOM 72 OD1 ASP A 7 36.291 28.332 18.246 1.00 10.00 O ATOM 73 OD2 ASP A 7 34.717 29.791 18.417 1.00 10.00 O ATOM 0 H ASP A 7 33.538 24.905 17.240 1.00 10.00 H new ATOM 0 HA ASP A 7 35.238 26.060 17.830 1.00 10.00 H new ATOM 0 HB2 ASP A 7 33.182 27.714 18.296 1.00 10.00 H new ATOM 0 HB3 ASP A 7 33.823 27.711 19.926 1.00 10.00 H new ATOM 78 N THR A 8 36.080 24.369 19.567 1.00 10.00 N ATOM 79 CA THR A 8 36.940 23.640 20.506 1.00 10.00 C ATOM 80 C THR A 8 36.335 23.558 21.892 1.00 10.00 C ATOM 81 O THR A 8 36.933 23.925 22.883 1.00 10.00 O ATOM 82 CB THR A 8 38.317 24.127 20.614 1.00 10.00 C ATOM 83 OG1 THR A 8 38.741 24.455 19.282 1.00 10.00 O ATOM 84 CG2 THR A 8 39.335 23.083 21.188 1.00 10.00 C ATOM 0 H THR A 8 35.961 23.850 18.697 1.00 10.00 H new ATOM 0 HA THR A 8 36.998 22.647 20.059 1.00 10.00 H new ATOM 0 HB THR A 8 38.312 24.968 21.307 1.00 10.00 H new ATOM 0 HG1 THR A 8 39.662 24.789 19.305 1.00 10.00 H new ATOM 0 HG21 THR A 8 40.328 23.530 21.232 1.00 10.00 H new ATOM 0 HG22 THR A 8 39.026 22.786 22.190 1.00 10.00 H new ATOM 0 HG23 THR A 8 39.360 22.206 20.541 1.00 10.00 H new ATOM 92 N SER A 9 35.134 22.985 21.947 1.00 10.00 N ATOM 93 CA SER A 9 34.458 22.674 23.236 1.00 10.00 C ATOM 94 C SER A 9 35.202 21.783 24.217 1.00 10.00 C ATOM 95 O SER A 9 35.215 22.008 25.427 1.00 10.00 O ATOM 96 CB SER A 9 33.068 22.121 23.021 1.00 10.00 C ATOM 97 OG SER A 9 33.072 20.981 22.202 1.00 10.00 O ATOM 0 H SER A 9 34.597 22.721 21.121 1.00 10.00 H new ATOM 0 HA SER A 9 34.426 23.653 23.714 1.00 10.00 H new ATOM 0 HB2 SER A 9 32.625 21.872 23.985 1.00 10.00 H new ATOM 0 HB3 SER A 9 32.439 22.888 22.570 1.00 10.00 H new ATOM 0 HG SER A 9 33.395 21.221 21.309 1.00 10.00 H new ATOM 103 N SER A 10 35.890 20.826 23.653 1.00 10.00 N ATOM 104 CA SER A 10 36.814 19.913 24.321 1.00 10.00 C ATOM 105 C SER A 10 37.959 20.524 25.073 1.00 10.00 C ATOM 106 O SER A 10 38.789 19.809 25.648 1.00 10.00 O ATOM 107 CB SER A 10 37.359 18.855 23.392 1.00 10.00 C ATOM 108 OG SER A 10 36.343 18.397 22.478 1.00 10.00 O ATOM 0 H SER A 10 35.824 20.642 22.652 1.00 10.00 H new ATOM 0 HA SER A 10 36.163 19.474 25.077 1.00 10.00 H new ATOM 0 HB2 SER A 10 38.203 19.258 22.831 1.00 10.00 H new ATOM 0 HB3 SER A 10 37.736 18.014 23.974 1.00 10.00 H new ATOM 0 HG SER A 10 36.280 19.017 21.722 1.00 10.00 H new ATOM 114 N GLU A 11 38.184 21.862 25.040 1.00 10.00 N ATOM 115 CA GLU A 11 39.176 22.550 25.881 1.00 10.00 C ATOM 116 C GLU A 11 38.506 23.431 26.990 1.00 10.00 C ATOM 117 O GLU A 11 39.118 23.707 27.982 1.00 10.00 O ATOM 118 CB GLU A 11 40.146 23.270 24.938 1.00 10.00 C ATOM 119 CG GLU A 11 41.304 22.370 24.436 1.00 10.00 C ATOM 120 CD GLU A 11 42.645 23.040 24.076 1.00 10.00 C ATOM 121 OE1 GLU A 11 42.644 24.182 23.542 1.00 10.00 O ATOM 122 OE2 GLU A 11 43.682 22.298 24.104 1.00 10.00 O ATOM 0 H GLU A 11 37.674 22.492 24.421 1.00 10.00 H new ATOM 0 HA GLU A 11 39.759 21.848 26.477 1.00 10.00 H new ATOM 0 HB2 GLU A 11 39.592 23.648 24.079 1.00 10.00 H new ATOM 0 HB3 GLU A 11 40.565 24.135 25.452 1.00 10.00 H new ATOM 0 HG2 GLU A 11 41.501 21.622 25.204 1.00 10.00 H new ATOM 0 HG3 GLU A 11 40.952 21.836 23.554 1.00 10.00 H new ATOM 129 N ILE A 12 37.223 23.889 26.827 1.00 10.00 N ATOM 130 CA ILE A 12 36.449 24.616 27.807 1.00 10.00 C ATOM 131 C ILE A 12 35.568 23.751 28.654 1.00 10.00 C ATOM 132 O ILE A 12 34.956 24.215 29.583 1.00 10.00 O ATOM 133 CB ILE A 12 35.600 25.738 27.188 1.00 10.00 C ATOM 134 CG1 ILE A 12 34.588 25.226 26.159 1.00 10.00 C ATOM 135 CG2 ILE A 12 36.423 26.896 26.622 1.00 10.00 C ATOM 136 CD1 ILE A 12 33.547 26.249 25.784 1.00 10.00 C ATOM 0 H ILE A 12 36.707 23.738 25.960 1.00 10.00 H new ATOM 0 HA ILE A 12 37.208 25.056 28.453 1.00 10.00 H new ATOM 0 HB ILE A 12 35.035 26.142 28.028 1.00 10.00 H new ATOM 0 HG12 ILE A 12 35.121 24.914 25.261 1.00 10.00 H new ATOM 0 HG13 ILE A 12 34.091 24.342 26.558 1.00 10.00 H new ATOM 0 HG21 ILE A 12 35.754 27.647 26.203 1.00 10.00 H new ATOM 0 HG22 ILE A 12 37.018 27.343 27.419 1.00 10.00 H new ATOM 0 HG23 ILE A 12 37.085 26.524 25.840 1.00 10.00 H new ATOM 0 HD11 ILE A 12 32.863 25.820 25.052 1.00 10.00 H new ATOM 0 HD12 ILE A 12 32.989 26.543 26.673 1.00 10.00 H new ATOM 0 HD13 ILE A 12 34.035 27.124 25.355 1.00 10.00 H new ATOM 148 N THR A 13 35.251 22.511 28.238 1.00 10.00 N ATOM 149 CA THR A 13 34.246 21.558 28.833 1.00 10.00 C ATOM 150 C THR A 13 34.203 21.577 30.343 1.00 10.00 C ATOM 151 O THR A 13 33.125 21.319 30.904 1.00 10.00 O ATOM 152 CB THR A 13 34.527 20.201 28.178 1.00 10.00 C ATOM 153 OG1 THR A 13 33.714 19.203 28.728 1.00 10.00 O ATOM 154 CG2 THR A 13 36.042 19.669 28.223 1.00 10.00 C ATOM 0 H THR A 13 35.711 22.104 27.424 1.00 10.00 H new ATOM 0 HA THR A 13 33.222 21.858 28.612 1.00 10.00 H new ATOM 0 HB THR A 13 34.306 20.397 27.129 1.00 10.00 H new ATOM 0 HG1 THR A 13 33.909 18.346 28.294 1.00 10.00 H new ATOM 0 HG21 THR A 13 36.103 18.701 27.726 1.00 10.00 H new ATOM 0 HG22 THR A 13 36.693 20.380 27.714 1.00 10.00 H new ATOM 0 HG23 THR A 13 36.360 19.565 29.260 1.00 10.00 H new ATOM 162 N THR A 14 35.287 21.763 31.022 1.00 10.00 N ATOM 163 CA THR A 14 35.317 21.951 32.503 1.00 10.00 C ATOM 164 C THR A 14 34.498 23.150 32.925 1.00 10.00 C ATOM 165 O THR A 14 33.624 23.018 33.673 1.00 10.00 O ATOM 166 CB THR A 14 36.649 22.007 33.132 1.00 10.00 C ATOM 167 OG1 THR A 14 37.495 20.884 32.806 1.00 10.00 O ATOM 168 CG2 THR A 14 36.503 21.875 34.636 1.00 10.00 C ATOM 0 H THR A 14 36.211 21.795 30.591 1.00 10.00 H new ATOM 0 HA THR A 14 34.870 21.030 32.877 1.00 10.00 H new ATOM 0 HB THR A 14 37.079 22.945 32.780 1.00 10.00 H new ATOM 0 HG1 THR A 14 38.361 20.986 33.254 1.00 10.00 H new ATOM 0 HG21 THR A 14 37.487 21.916 35.102 1.00 10.00 H new ATOM 0 HG22 THR A 14 35.888 22.691 35.015 1.00 10.00 H new ATOM 0 HG23 THR A 14 36.029 20.923 34.873 1.00 10.00 H new ATOM 176 N LYS A 15 34.698 24.364 32.366 1.00 10.00 N ATOM 177 CA LYS A 15 33.936 25.606 32.590 1.00 10.00 C ATOM 178 C LYS A 15 32.435 25.372 32.246 1.00 10.00 C ATOM 179 O LYS A 15 31.526 25.737 33.008 1.00 10.00 O ATOM 180 CB LYS A 15 34.467 26.756 31.822 1.00 10.00 C ATOM 181 CG LYS A 15 35.906 27.226 32.168 1.00 10.00 C ATOM 182 CD LYS A 15 36.521 28.096 31.106 1.00 10.00 C ATOM 183 CE LYS A 15 38.041 28.330 31.217 1.00 10.00 C ATOM 184 NZ LYS A 15 38.559 29.332 30.309 1.00 10.00 N ATOM 0 H LYS A 15 35.454 24.509 31.697 1.00 10.00 H new ATOM 0 HA LYS A 15 34.040 25.862 33.644 1.00 10.00 H new ATOM 0 HB2 LYS A 15 34.439 26.499 30.763 1.00 10.00 H new ATOM 0 HB3 LYS A 15 33.791 27.600 31.963 1.00 10.00 H new ATOM 0 HG2 LYS A 15 35.885 27.775 33.110 1.00 10.00 H new ATOM 0 HG3 LYS A 15 36.539 26.352 32.323 1.00 10.00 H new ATOM 0 HD2 LYS A 15 36.313 27.650 30.134 1.00 10.00 H new ATOM 0 HD3 LYS A 15 36.022 29.065 31.125 1.00 10.00 H new ATOM 0 HE2 LYS A 15 38.277 28.626 32.239 1.00 10.00 H new ATOM 0 HE3 LYS A 15 38.556 27.388 31.031 1.00 10.00 H new ATOM 0 HZ1 LYS A 15 39.585 29.428 30.447 1.00 10.00 H new ATOM 0 HZ2 LYS A 15 38.367 29.044 29.328 1.00 10.00 H new ATOM 0 HZ3 LYS A 15 38.097 30.244 30.499 1.00 10.00 H new ATOM 198 N ASP A 16 32.176 24.585 31.200 1.00 10.00 N ATOM 199 CA ASP A 16 30.856 24.161 30.789 1.00 10.00 C ATOM 200 C ASP A 16 30.213 23.297 31.866 1.00 10.00 C ATOM 201 O ASP A 16 28.985 23.373 32.038 1.00 10.00 O ATOM 202 CB ASP A 16 30.895 23.413 29.436 1.00 10.00 C ATOM 203 CG ASP A 16 29.468 23.158 28.992 1.00 10.00 C ATOM 204 OD1 ASP A 16 28.745 24.077 28.564 1.00 10.00 O ATOM 205 OD2 ASP A 16 29.082 21.950 29.102 1.00 10.00 O ATOM 0 H ASP A 16 32.914 24.217 30.600 1.00 10.00 H new ATOM 0 HA ASP A 16 30.247 25.055 30.652 1.00 10.00 H new ATOM 0 HB2 ASP A 16 31.425 24.005 28.690 1.00 10.00 H new ATOM 0 HB3 ASP A 16 31.435 22.472 29.538 1.00 10.00 H new ATOM 210 N LEU A 17 31.028 22.494 32.605 1.00 10.00 N ATOM 211 CA LEU A 17 30.380 21.544 33.554 1.00 10.00 C ATOM 212 C LEU A 17 30.061 22.251 34.912 1.00 10.00 C ATOM 213 O LEU A 17 29.055 21.860 35.457 1.00 10.00 O ATOM 214 CB LEU A 17 31.218 20.179 33.586 1.00 10.00 C ATOM 215 CG LEU A 17 30.916 19.107 32.488 1.00 10.00 C ATOM 216 CD1 LEU A 17 32.091 18.208 32.069 1.00 10.00 C ATOM 217 CD2 LEU A 17 29.809 18.166 32.980 1.00 10.00 C ATOM 0 H LEU A 17 32.047 22.479 32.573 1.00 10.00 H new ATOM 0 HA LEU A 17 29.389 21.232 33.223 1.00 10.00 H new ATOM 0 HB2 LEU A 17 32.276 20.435 33.521 1.00 10.00 H new ATOM 0 HB3 LEU A 17 31.062 19.714 34.559 1.00 10.00 H new ATOM 0 HG LEU A 17 30.642 19.702 31.617 1.00 10.00 H new ATOM 0 HD11 LEU A 17 31.758 17.507 31.304 1.00 10.00 H new ATOM 0 HD12 LEU A 17 32.897 18.825 31.671 1.00 10.00 H new ATOM 0 HD13 LEU A 17 32.452 17.654 32.935 1.00 10.00 H new ATOM 0 HD21 LEU A 17 29.599 17.419 32.214 1.00 10.00 H new ATOM 0 HD22 LEU A 17 30.134 17.668 33.893 1.00 10.00 H new ATOM 0 HD23 LEU A 17 28.906 18.741 33.183 1.00 10.00 H new ATOM 229 N LYS A 18 30.793 23.295 35.326 1.00 10.00 N ATOM 230 CA LYS A 18 30.273 24.215 36.427 1.00 10.00 C ATOM 231 C LYS A 18 29.058 24.974 36.016 1.00 10.00 C ATOM 232 O LYS A 18 28.220 25.220 36.817 1.00 10.00 O ATOM 233 CB LYS A 18 31.371 25.180 36.961 1.00 10.00 C ATOM 234 CG LYS A 18 32.555 24.479 37.755 1.00 10.00 C ATOM 235 CD LYS A 18 33.669 23.886 36.943 1.00 10.00 C ATOM 236 CE LYS A 18 34.980 23.453 37.728 1.00 10.00 C ATOM 237 NZ LYS A 18 35.479 24.369 38.719 1.00 10.00 N ATOM 0 H LYS A 18 31.710 23.543 34.955 1.00 10.00 H new ATOM 0 HA LYS A 18 29.984 23.556 37.246 1.00 10.00 H new ATOM 0 HB2 LYS A 18 31.793 25.727 36.118 1.00 10.00 H new ATOM 0 HB3 LYS A 18 30.901 25.915 37.615 1.00 10.00 H new ATOM 0 HG2 LYS A 18 32.987 25.213 38.435 1.00 10.00 H new ATOM 0 HG3 LYS A 18 32.127 23.687 38.370 1.00 10.00 H new ATOM 0 HD2 LYS A 18 33.281 23.010 36.423 1.00 10.00 H new ATOM 0 HD3 LYS A 18 33.954 24.610 36.180 1.00 10.00 H new ATOM 0 HE2 LYS A 18 34.783 22.499 38.217 1.00 10.00 H new ATOM 0 HE3 LYS A 18 35.771 23.280 36.998 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 36.344 23.981 39.146 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 35.694 25.282 38.270 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 34.760 24.507 39.457 1.00 10.00 H new ATOM 251 N GLU A 19 28.854 25.161 34.694 1.00 10.00 N ATOM 252 CA GLU A 19 27.554 25.620 34.089 1.00 10.00 C ATOM 253 C GLU A 19 26.515 24.568 34.220 1.00 10.00 C ATOM 254 O GLU A 19 25.473 24.917 34.768 1.00 10.00 O ATOM 255 CB GLU A 19 27.623 26.214 32.666 1.00 10.00 C ATOM 256 CG GLU A 19 28.199 27.706 32.632 1.00 10.00 C ATOM 257 CD GLU A 19 28.217 28.130 31.204 1.00 10.00 C ATOM 258 OE1 GLU A 19 29.142 27.678 30.444 1.00 10.00 O ATOM 259 OE2 GLU A 19 27.422 28.959 30.781 1.00 10.00 O ATOM 0 H GLU A 19 29.583 25.000 33.999 1.00 10.00 H new ATOM 0 HA GLU A 19 27.267 26.487 34.684 1.00 10.00 H new ATOM 0 HB2 GLU A 19 28.249 25.576 32.043 1.00 10.00 H new ATOM 0 HB3 GLU A 19 26.625 26.207 32.228 1.00 10.00 H new ATOM 0 HG2 GLU A 19 27.575 28.374 33.226 1.00 10.00 H new ATOM 0 HG3 GLU A 19 29.201 27.743 33.059 1.00 10.00 H new ATOM 266 N LYS A 20 26.832 23.300 33.902 1.00 10.00 N ATOM 267 CA LYS A 20 25.910 22.249 33.990 1.00 10.00 C ATOM 268 C LYS A 20 25.607 21.914 35.414 1.00 10.00 C ATOM 269 O LYS A 20 24.660 21.228 35.715 1.00 10.00 O ATOM 270 CB LYS A 20 26.453 20.931 33.369 1.00 10.00 C ATOM 271 CG LYS A 20 26.635 20.968 31.830 1.00 10.00 C ATOM 272 CD LYS A 20 25.386 21.253 31.040 1.00 10.00 C ATOM 273 CE LYS A 20 25.583 21.020 29.579 1.00 10.00 C ATOM 274 NZ LYS A 20 26.327 21.962 28.787 1.00 10.00 N ATOM 0 H LYS A 20 27.756 23.015 33.577 1.00 10.00 H new ATOM 0 HA LYS A 20 25.029 22.601 33.453 1.00 10.00 H new ATOM 0 HB2 LYS A 20 27.413 20.697 33.829 1.00 10.00 H new ATOM 0 HB3 LYS A 20 25.772 20.119 33.621 1.00 10.00 H new ATOM 0 HG2 LYS A 20 27.379 21.726 31.587 1.00 10.00 H new ATOM 0 HG3 LYS A 20 27.039 20.009 31.506 1.00 10.00 H new ATOM 0 HD2 LYS A 20 24.576 20.620 31.402 1.00 10.00 H new ATOM 0 HD3 LYS A 20 25.081 22.286 31.204 1.00 10.00 H new ATOM 0 HE2 LYS A 20 26.070 20.051 29.470 1.00 10.00 H new ATOM 0 HE3 LYS A 20 24.594 20.932 29.130 1.00 10.00 H new ATOM 0 HZ1 LYS A 20 26.024 21.896 27.794 1.00 10.00 H new ATOM 0 HZ2 LYS A 20 26.153 22.925 29.139 1.00 10.00 H new ATOM 0 HZ3 LYS A 20 27.342 21.747 28.854 1.00 10.00 H new ATOM 288 N LYS A 21 26.416 22.302 36.408 1.00 10.00 N ATOM 289 CA LYS A 21 26.181 22.247 37.857 1.00 10.00 C ATOM 290 C LYS A 21 25.497 23.478 38.530 1.00 10.00 C ATOM 291 O LYS A 21 25.125 23.369 39.671 1.00 10.00 O ATOM 292 CB LYS A 21 27.463 21.937 38.602 1.00 10.00 C ATOM 293 CG LYS A 21 27.819 20.501 38.326 1.00 10.00 C ATOM 294 CD LYS A 21 28.880 19.953 39.327 1.00 10.00 C ATOM 295 CE LYS A 21 29.424 18.606 38.932 1.00 10.00 C ATOM 296 NZ LYS A 21 30.318 18.009 39.953 1.00 10.00 N ATOM 0 H LYS A 21 27.333 22.697 36.200 1.00 10.00 H new ATOM 0 HA LYS A 21 25.448 21.445 37.939 1.00 10.00 H new ATOM 0 HB2 LYS A 21 28.265 22.599 38.275 1.00 10.00 H new ATOM 0 HB3 LYS A 21 27.332 22.099 39.672 1.00 10.00 H new ATOM 0 HG2 LYS A 21 26.919 19.888 38.382 1.00 10.00 H new ATOM 0 HG3 LYS A 21 28.202 20.413 37.309 1.00 10.00 H new ATOM 0 HD2 LYS A 21 29.703 20.664 39.400 1.00 10.00 H new ATOM 0 HD3 LYS A 21 28.433 19.881 40.318 1.00 10.00 H new ATOM 0 HE2 LYS A 21 28.592 17.927 38.747 1.00 10.00 H new ATOM 0 HE3 LYS A 21 29.971 18.704 37.994 1.00 10.00 H new ATOM 0 HZ1 LYS A 21 30.657 17.084 39.619 1.00 10.00 H new ATOM 0 HZ2 LYS A 21 31.130 18.638 40.114 1.00 10.00 H new ATOM 0 HZ3 LYS A 21 29.794 17.885 40.843 1.00 10.00 H new ATOM 310 N GLU A 22 25.422 24.538 37.773 1.00 10.00 N ATOM 311 CA GLU A 22 24.924 25.841 38.089 1.00 10.00 C ATOM 312 C GLU A 22 23.428 25.804 37.687 1.00 10.00 C ATOM 313 O GLU A 22 22.561 25.568 38.511 1.00 10.00 O ATOM 314 CB GLU A 22 25.737 27.067 37.620 1.00 10.00 C ATOM 315 CG GLU A 22 25.078 28.369 38.004 1.00 10.00 C ATOM 316 CD GLU A 22 26.001 29.580 37.784 1.00 10.00 C ATOM 317 OE1 GLU A 22 26.638 29.663 36.722 1.00 10.00 O ATOM 318 OE2 GLU A 22 26.172 30.360 38.702 1.00 10.00 O ATOM 0 H GLU A 22 25.748 24.500 36.807 1.00 10.00 H new ATOM 0 HA GLU A 22 25.047 26.032 39.155 1.00 10.00 H new ATOM 0 HB2 GLU A 22 26.736 27.026 38.054 1.00 10.00 H new ATOM 0 HB3 GLU A 22 25.858 27.028 36.537 1.00 10.00 H new ATOM 0 HG2 GLU A 22 24.167 28.499 37.419 1.00 10.00 H new ATOM 0 HG3 GLU A 22 24.781 28.328 39.052 1.00 10.00 H new ATOM 325 N VAL A 23 23.198 25.786 36.362 1.00 10.00 N ATOM 326 CA VAL A 23 21.899 25.489 35.694 1.00 10.00 C ATOM 327 C VAL A 23 21.085 24.406 36.403 1.00 10.00 C ATOM 328 O VAL A 23 19.840 24.417 36.504 1.00 10.00 O ATOM 329 CB VAL A 23 22.115 25.069 34.176 1.00 10.00 C ATOM 330 CG1 VAL A 23 22.435 23.554 33.922 1.00 10.00 C ATOM 331 CG2 VAL A 23 20.852 25.414 33.367 1.00 10.00 C ATOM 0 H VAL A 23 23.939 25.986 35.690 1.00 10.00 H new ATOM 0 HA VAL A 23 21.329 26.417 35.746 1.00 10.00 H new ATOM 0 HB VAL A 23 22.997 25.628 33.863 1.00 10.00 H new ATOM 0 HG11 VAL A 23 22.563 23.383 32.853 1.00 10.00 H new ATOM 0 HG12 VAL A 23 23.352 23.283 34.445 1.00 10.00 H new ATOM 0 HG13 VAL A 23 21.613 22.941 34.292 1.00 10.00 H new ATOM 0 HG21 VAL A 23 20.997 25.127 32.326 1.00 10.00 H new ATOM 0 HG22 VAL A 23 19.999 24.874 33.777 1.00 10.00 H new ATOM 0 HG23 VAL A 23 20.664 26.486 33.425 1.00 10.00 H new ATOM 341 N VAL A 24 21.821 23.361 36.829 1.00 10.00 N ATOM 342 CA VAL A 24 21.104 22.149 37.362 1.00 10.00 C ATOM 343 C VAL A 24 20.554 22.456 38.780 1.00 10.00 C ATOM 344 O VAL A 24 19.488 21.967 39.112 1.00 10.00 O ATOM 345 CB VAL A 24 21.934 20.914 37.063 1.00 10.00 C ATOM 346 CG1 VAL A 24 22.881 20.785 38.252 1.00 10.00 C ATOM 347 CG2 VAL A 24 21.091 19.623 36.892 1.00 10.00 C ATOM 0 H VAL A 24 22.840 23.311 36.825 1.00 10.00 H new ATOM 0 HA VAL A 24 20.174 21.886 36.857 1.00 10.00 H new ATOM 0 HB VAL A 24 22.451 21.027 36.110 1.00 10.00 H new ATOM 0 HG11 VAL A 24 23.520 19.913 38.115 1.00 10.00 H new ATOM 0 HG12 VAL A 24 23.499 21.680 38.323 1.00 10.00 H new ATOM 0 HG13 VAL A 24 22.301 20.670 39.168 1.00 10.00 H new ATOM 0 HG21 VAL A 24 21.752 18.782 36.681 1.00 10.00 H new ATOM 0 HG22 VAL A 24 20.536 19.427 37.809 1.00 10.00 H new ATOM 0 HG23 VAL A 24 20.392 19.752 36.066 1.00 10.00 H new ATOM 357 N GLU A 25 21.277 23.249 39.568 1.00 10.00 N ATOM 358 CA GLU A 25 20.837 23.698 40.941 1.00 10.00 C ATOM 359 C GLU A 25 19.734 24.800 40.841 1.00 10.00 C ATOM 360 O GLU A 25 18.815 24.884 41.585 1.00 10.00 O ATOM 361 CB GLU A 25 22.043 24.132 41.726 1.00 10.00 C ATOM 362 CG GLU A 25 23.030 23.064 42.070 1.00 10.00 C ATOM 363 CD GLU A 25 22.830 22.443 43.446 1.00 10.00 C ATOM 364 OE1 GLU A 25 21.707 21.937 43.744 1.00 10.00 O ATOM 365 OE2 GLU A 25 23.760 22.503 44.301 1.00 10.00 O ATOM 0 H GLU A 25 22.190 23.614 39.297 1.00 10.00 H new ATOM 0 HA GLU A 25 20.376 22.869 41.478 1.00 10.00 H new ATOM 0 HB2 GLU A 25 22.560 24.906 41.158 1.00 10.00 H new ATOM 0 HB3 GLU A 25 21.700 24.592 42.653 1.00 10.00 H new ATOM 0 HG2 GLU A 25 22.973 22.277 41.318 1.00 10.00 H new ATOM 0 HG3 GLU A 25 24.035 23.484 42.017 1.00 10.00 H new ATOM 372 N GLU A 26 19.907 25.730 39.909 1.00 10.00 N ATOM 373 CA GLU A 26 18.941 26.745 39.597 1.00 10.00 C ATOM 374 C GLU A 26 17.592 26.213 39.162 1.00 10.00 C ATOM 375 O GLU A 26 16.561 26.889 39.354 1.00 10.00 O ATOM 376 CB GLU A 26 19.482 27.694 38.542 1.00 10.00 C ATOM 377 CG GLU A 26 20.597 28.716 38.843 1.00 10.00 C ATOM 378 CD GLU A 26 20.416 29.447 40.166 1.00 10.00 C ATOM 379 OE1 GLU A 26 19.376 30.156 40.322 1.00 10.00 O ATOM 380 OE2 GLU A 26 21.251 29.306 41.150 1.00 10.00 O ATOM 0 H GLU A 26 20.752 25.790 39.340 1.00 10.00 H new ATOM 0 HA GLU A 26 18.772 27.276 40.534 1.00 10.00 H new ATOM 0 HB2 GLU A 26 19.840 27.075 37.719 1.00 10.00 H new ATOM 0 HB3 GLU A 26 18.631 28.262 38.167 1.00 10.00 H new ATOM 0 HG2 GLU A 26 21.557 28.201 38.851 1.00 10.00 H new ATOM 0 HG3 GLU A 26 20.635 29.448 38.036 1.00 10.00 H new ATOM 387 N ALA A 27 17.529 25.067 38.464 1.00 10.00 N ATOM 388 CA ALA A 27 16.256 24.441 38.127 1.00 10.00 C ATOM 389 C ALA A 27 15.475 23.988 39.313 1.00 10.00 C ATOM 390 O ALA A 27 14.230 23.914 39.289 1.00 10.00 O ATOM 391 CB ALA A 27 16.555 23.290 37.105 1.00 10.00 C ATOM 0 H ALA A 27 18.348 24.562 38.126 1.00 10.00 H new ATOM 0 HA ALA A 27 15.599 25.182 37.671 1.00 10.00 H new ATOM 0 HB1 ALA A 27 15.623 22.797 36.829 1.00 10.00 H new ATOM 0 HB2 ALA A 27 17.022 23.708 36.213 1.00 10.00 H new ATOM 0 HB3 ALA A 27 17.228 22.564 37.561 1.00 10.00 H new