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 -31:sc= 1.25 USER MOD Single : A 10 SER OG : rot 79:sc= 1.01 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+ -143:sc= 0.354 (180deg=0.0727) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N ASP A 3 35.285 14.807 18.970 1.00 10.00 N ATOM 19 CA ASP A 3 35.573 16.042 19.706 1.00 10.00 C ATOM 20 C ASP A 3 36.531 16.944 18.943 1.00 10.00 C ATOM 21 O ASP A 3 36.615 18.172 19.154 1.00 10.00 O ATOM 22 CB ASP A 3 36.240 15.606 21.024 1.00 10.00 C ATOM 23 CG ASP A 3 36.601 16.702 21.994 1.00 10.00 C ATOM 24 OD1 ASP A 3 35.786 17.605 22.169 1.00 10.00 O ATOM 25 OD2 ASP A 3 37.756 16.651 22.509 1.00 10.00 O ATOM 0 HA ASP A 3 34.654 16.607 19.863 1.00 10.00 H new ATOM 0 HB2 ASP A 3 35.571 14.910 21.530 1.00 10.00 H new ATOM 0 HB3 ASP A 3 37.148 15.055 20.780 1.00 10.00 H new ATOM 30 N ALA A 4 37.180 16.509 17.832 1.00 10.00 N ATOM 31 CA ALA A 4 38.206 17.285 17.072 1.00 10.00 C ATOM 32 C ALA A 4 37.557 18.405 16.213 1.00 10.00 C ATOM 33 O ALA A 4 38.243 19.343 15.886 1.00 10.00 O ATOM 34 CB ALA A 4 39.048 16.370 16.115 1.00 10.00 C ATOM 0 H ALA A 4 37.004 15.589 17.427 1.00 10.00 H new ATOM 0 HA ALA A 4 38.860 17.724 17.825 1.00 10.00 H new ATOM 0 HB1 ALA A 4 39.781 16.977 15.583 1.00 10.00 H new ATOM 0 HB2 ALA A 4 39.563 15.608 16.700 1.00 10.00 H new ATOM 0 HB3 ALA A 4 38.385 15.888 15.396 1.00 10.00 H new ATOM 40 N ALA A 5 36.311 18.169 15.844 1.00 10.00 N ATOM 41 CA ALA A 5 35.400 19.077 15.209 1.00 10.00 C ATOM 42 C ALA A 5 34.891 20.190 16.133 1.00 10.00 C ATOM 43 O ALA A 5 34.669 21.293 15.699 1.00 10.00 O ATOM 44 CB ALA A 5 34.232 18.255 14.796 1.00 10.00 C ATOM 0 H ALA A 5 35.883 17.256 15.999 1.00 10.00 H new ATOM 0 HA ALA A 5 35.917 19.570 14.386 1.00 10.00 H new ATOM 0 HB1 ALA A 5 33.496 18.890 14.303 1.00 10.00 H new ATOM 0 HB2 ALA A 5 34.560 17.477 14.106 1.00 10.00 H new ATOM 0 HB3 ALA A 5 33.782 17.794 15.675 1.00 10.00 H new ATOM 50 N VAL A 6 34.850 19.880 17.455 1.00 10.00 N ATOM 51 CA VAL A 6 34.696 20.898 18.470 1.00 10.00 C ATOM 52 C VAL A 6 36.030 21.585 18.797 1.00 10.00 C ATOM 53 O VAL A 6 36.188 22.328 19.771 1.00 10.00 O ATOM 54 CB VAL A 6 33.863 20.353 19.630 1.00 10.00 C ATOM 55 CG1 VAL A 6 33.211 21.559 20.383 1.00 10.00 C ATOM 56 CG2 VAL A 6 32.794 19.343 19.333 1.00 10.00 C ATOM 0 H VAL A 6 34.923 18.930 17.819 1.00 10.00 H new ATOM 0 HA VAL A 6 34.107 21.738 18.101 1.00 10.00 H new ATOM 0 HB VAL A 6 34.587 19.790 20.219 1.00 10.00 H new ATOM 0 HG11 VAL A 6 32.612 21.188 21.215 1.00 10.00 H new ATOM 0 HG12 VAL A 6 33.993 22.216 20.764 1.00 10.00 H new ATOM 0 HG13 VAL A 6 32.573 22.115 19.696 1.00 10.00 H new ATOM 0 HG21 VAL A 6 32.296 19.057 20.259 1.00 10.00 H new ATOM 0 HG22 VAL A 6 32.065 19.775 18.647 1.00 10.00 H new ATOM 0 HG23 VAL A 6 33.243 18.461 18.876 1.00 10.00 H new ATOM 66 N ASP A 7 37.090 21.278 18.026 1.00 10.00 N ATOM 67 CA ASP A 7 38.542 21.571 18.306 1.00 10.00 C ATOM 68 C ASP A 7 39.030 21.119 19.693 1.00 10.00 C ATOM 69 O ASP A 7 39.629 21.904 20.386 1.00 10.00 O ATOM 70 CB ASP A 7 38.771 23.064 18.066 1.00 10.00 C ATOM 71 CG ASP A 7 40.211 23.450 17.793 1.00 10.00 C ATOM 72 OD1 ASP A 7 40.892 22.709 16.980 1.00 10.00 O ATOM 73 OD2 ASP A 7 40.682 24.451 18.374 1.00 10.00 O ATOM 0 H ASP A 7 36.969 20.792 17.138 1.00 10.00 H new ATOM 0 HA ASP A 7 39.148 20.975 17.623 1.00 10.00 H new ATOM 0 HB2 ASP A 7 38.158 23.380 17.222 1.00 10.00 H new ATOM 0 HB3 ASP A 7 38.421 23.616 18.938 1.00 10.00 H new ATOM 78 N THR A 8 38.830 19.891 20.066 1.00 10.00 N ATOM 79 CA THR A 8 39.158 19.236 21.317 1.00 10.00 C ATOM 80 C THR A 8 38.492 20.049 22.476 1.00 10.00 C ATOM 81 O THR A 8 39.228 20.677 23.225 1.00 10.00 O ATOM 82 CB THR A 8 40.676 19.199 21.506 1.00 10.00 C ATOM 83 OG1 THR A 8 41.304 18.825 20.310 1.00 10.00 O ATOM 84 CG2 THR A 8 41.139 18.298 22.640 1.00 10.00 C ATOM 0 H THR A 8 38.378 19.236 19.428 1.00 10.00 H new ATOM 0 HA THR A 8 38.790 18.210 21.316 1.00 10.00 H new ATOM 0 HB THR A 8 40.966 20.212 21.786 1.00 10.00 H new ATOM 0 HG1 THR A 8 42.275 18.806 20.442 1.00 10.00 H new ATOM 0 HG21 THR A 8 42.227 18.328 22.707 1.00 10.00 H new ATOM 0 HG22 THR A 8 40.708 18.644 23.579 1.00 10.00 H new ATOM 0 HG23 THR A 8 40.815 17.275 22.447 1.00 10.00 H new ATOM 92 N SER A 9 37.182 19.993 22.598 1.00 10.00 N ATOM 93 CA SER A 9 36.487 20.553 23.793 1.00 10.00 C ATOM 94 C SER A 9 36.833 19.877 25.167 1.00 10.00 C ATOM 95 O SER A 9 36.509 20.477 26.224 1.00 10.00 O ATOM 96 CB SER A 9 34.962 20.476 23.591 1.00 10.00 C ATOM 97 OG SER A 9 34.413 19.145 23.704 1.00 10.00 O ATOM 0 H SER A 9 36.561 19.575 21.905 1.00 10.00 H new ATOM 0 HA SER A 9 36.851 21.578 23.861 1.00 10.00 H new ATOM 0 HB2 SER A 9 34.477 21.120 24.325 1.00 10.00 H new ATOM 0 HB3 SER A 9 34.717 20.875 22.607 1.00 10.00 H new ATOM 0 HG SER A 9 35.077 18.491 23.402 1.00 10.00 H new ATOM 103 N SER A 10 37.519 18.687 25.137 1.00 10.00 N ATOM 104 CA SER A 10 38.017 17.988 26.352 1.00 10.00 C ATOM 105 C SER A 10 38.871 18.856 27.326 1.00 10.00 C ATOM 106 O SER A 10 38.823 18.584 28.550 1.00 10.00 O ATOM 107 CB SER A 10 38.714 16.705 26.018 1.00 10.00 C ATOM 108 OG SER A 10 37.933 15.923 25.212 1.00 10.00 O ATOM 0 H SER A 10 37.736 18.196 24.270 1.00 10.00 H new ATOM 0 HA SER A 10 37.108 17.760 26.908 1.00 10.00 H new ATOM 0 HB2 SER A 10 39.659 16.919 25.519 1.00 10.00 H new ATOM 0 HB3 SER A 10 38.952 16.166 26.935 1.00 10.00 H new ATOM 0 HG SER A 10 37.987 16.248 24.289 1.00 10.00 H new ATOM 114 N GLU A 11 39.675 19.811 26.804 1.00 10.00 N ATOM 115 CA GLU A 11 40.346 20.791 27.715 1.00 10.00 C ATOM 116 C GLU A 11 39.459 21.807 28.451 1.00 10.00 C ATOM 117 O GLU A 11 39.724 22.118 29.607 1.00 10.00 O ATOM 118 CB GLU A 11 41.521 21.571 27.042 1.00 10.00 C ATOM 119 CG GLU A 11 42.817 20.752 26.820 1.00 10.00 C ATOM 120 CD GLU A 11 43.789 21.496 25.929 1.00 10.00 C ATOM 121 OE1 GLU A 11 43.449 22.082 24.852 1.00 10.00 O ATOM 122 OE2 GLU A 11 44.973 21.468 26.209 1.00 10.00 O ATOM 0 H GLU A 11 39.874 19.930 25.811 1.00 10.00 H new ATOM 0 HA GLU A 11 40.718 20.104 28.476 1.00 10.00 H new ATOM 0 HB2 GLU A 11 41.180 21.949 26.078 1.00 10.00 H new ATOM 0 HB3 GLU A 11 41.760 22.438 27.658 1.00 10.00 H new ATOM 0 HG2 GLU A 11 43.287 20.543 27.781 1.00 10.00 H new ATOM 0 HG3 GLU A 11 42.570 19.790 26.370 1.00 10.00 H new ATOM 129 N ILE A 12 38.405 22.242 27.764 1.00 10.00 N ATOM 130 CA ILE A 12 37.524 23.304 28.325 1.00 10.00 C ATOM 131 C ILE A 12 36.268 22.882 29.085 1.00 10.00 C ATOM 132 O ILE A 12 35.632 23.663 29.764 1.00 10.00 O ATOM 133 CB ILE A 12 37.259 24.505 27.347 1.00 10.00 C ATOM 134 CG1 ILE A 12 36.352 24.006 26.172 1.00 10.00 C ATOM 135 CG2 ILE A 12 38.540 25.194 26.888 1.00 10.00 C ATOM 136 CD1 ILE A 12 35.640 25.286 25.631 1.00 10.00 C ATOM 0 H ILE A 12 38.132 21.898 26.843 1.00 10.00 H new ATOM 0 HA ILE A 12 38.165 23.665 29.130 1.00 10.00 H new ATOM 0 HB ILE A 12 36.725 25.291 27.881 1.00 10.00 H new ATOM 0 HG12 ILE A 12 36.945 23.527 25.393 1.00 10.00 H new ATOM 0 HG13 ILE A 12 35.627 23.270 26.520 1.00 10.00 H new ATOM 0 HG21 ILE A 12 38.291 26.014 26.215 1.00 10.00 H new ATOM 0 HG22 ILE A 12 39.074 25.585 27.754 1.00 10.00 H new ATOM 0 HG23 ILE A 12 39.172 24.476 26.366 1.00 10.00 H new ATOM 0 HD11 ILE A 12 34.985 25.015 24.803 1.00 10.00 H new ATOM 0 HD12 ILE A 12 35.050 25.738 26.428 1.00 10.00 H new ATOM 0 HD13 ILE A 12 36.388 25.999 25.284 1.00 10.00 H new ATOM 148 N THR A 13 35.761 21.686 28.829 1.00 10.00 N ATOM 149 CA THR A 13 34.468 21.235 29.279 1.00 10.00 C ATOM 150 C THR A 13 34.241 21.396 30.785 1.00 10.00 C ATOM 151 O THR A 13 33.080 21.519 31.126 1.00 10.00 O ATOM 152 CB THR A 13 34.297 19.760 28.760 1.00 10.00 C ATOM 153 OG1 THR A 13 33.206 19.131 29.430 1.00 10.00 O ATOM 154 CG2 THR A 13 35.527 18.899 28.982 1.00 10.00 C ATOM 0 H THR A 13 36.261 20.984 28.283 1.00 10.00 H new ATOM 0 HA THR A 13 33.686 21.870 28.862 1.00 10.00 H new ATOM 0 HB THR A 13 34.122 19.840 27.687 1.00 10.00 H new ATOM 0 HG1 THR A 13 33.105 18.214 29.100 1.00 10.00 H new ATOM 0 HG21 THR A 13 35.342 17.895 28.601 1.00 10.00 H new ATOM 0 HG22 THR A 13 36.376 19.335 28.456 1.00 10.00 H new ATOM 0 HG23 THR A 13 35.748 18.848 30.048 1.00 10.00 H new ATOM 162 N THR A 14 35.264 21.440 31.681 1.00 10.00 N ATOM 163 CA THR A 14 34.888 21.739 33.110 1.00 10.00 C ATOM 164 C THR A 14 34.248 23.103 33.246 1.00 10.00 C ATOM 165 O THR A 14 33.381 23.254 34.087 1.00 10.00 O ATOM 166 CB THR A 14 36.146 21.585 33.926 1.00 10.00 C ATOM 167 OG1 THR A 14 36.495 20.196 33.739 1.00 10.00 O ATOM 168 CG2 THR A 14 35.978 21.591 35.441 1.00 10.00 C ATOM 0 H THR A 14 36.254 21.292 31.484 1.00 10.00 H new ATOM 0 HA THR A 14 34.128 21.048 33.474 1.00 10.00 H new ATOM 0 HB THR A 14 36.810 22.393 33.621 1.00 10.00 H new ATOM 0 HG1 THR A 14 37.314 19.995 34.237 1.00 10.00 H new ATOM 0 HG21 THR A 14 36.952 21.473 35.916 1.00 10.00 H new ATOM 0 HG22 THR A 14 35.534 22.536 35.754 1.00 10.00 H new ATOM 0 HG23 THR A 14 35.328 20.768 35.738 1.00 10.00 H new ATOM 176 N LYS A 15 34.707 24.146 32.461 1.00 10.00 N ATOM 177 CA LYS A 15 34.063 25.472 32.328 1.00 10.00 C ATOM 178 C LYS A 15 32.601 25.294 31.985 1.00 10.00 C ATOM 179 O LYS A 15 31.764 25.749 32.804 1.00 10.00 O ATOM 180 CB LYS A 15 34.810 26.288 31.349 1.00 10.00 C ATOM 181 CG LYS A 15 36.239 26.421 31.883 1.00 10.00 C ATOM 182 CD LYS A 15 36.974 27.429 31.039 1.00 10.00 C ATOM 183 CE LYS A 15 36.332 28.819 30.780 1.00 10.00 C ATOM 184 NZ LYS A 15 37.178 29.724 29.977 1.00 10.00 N ATOM 0 H LYS A 15 35.555 24.065 31.899 1.00 10.00 H new ATOM 0 HA LYS A 15 34.094 26.016 33.272 1.00 10.00 H new ATOM 0 HB2 LYS A 15 34.807 25.814 30.368 1.00 10.00 H new ATOM 0 HB3 LYS A 15 34.349 27.268 31.231 1.00 10.00 H new ATOM 0 HG2 LYS A 15 36.225 26.738 32.926 1.00 10.00 H new ATOM 0 HG3 LYS A 15 36.747 25.457 31.850 1.00 10.00 H new ATOM 0 HD2 LYS A 15 37.945 27.599 31.504 1.00 10.00 H new ATOM 0 HD3 LYS A 15 37.161 26.969 30.069 1.00 10.00 H new ATOM 0 HE2 LYS A 15 35.379 28.680 30.270 1.00 10.00 H new ATOM 0 HE3 LYS A 15 36.115 29.293 31.737 1.00 10.00 H new ATOM 0 HZ1 LYS A 15 36.687 30.631 29.844 1.00 10.00 H new ATOM 0 HZ2 LYS A 15 38.079 29.887 30.471 1.00 10.00 H new ATOM 0 HZ3 LYS A 15 37.365 29.292 29.049 1.00 10.00 H new ATOM 198 N ASP A 16 32.220 24.445 31.052 1.00 10.00 N ATOM 199 CA ASP A 16 30.810 24.173 30.647 1.00 10.00 C ATOM 200 C ASP A 16 30.090 23.368 31.730 1.00 10.00 C ATOM 201 O ASP A 16 28.861 23.385 31.882 1.00 10.00 O ATOM 202 CB ASP A 16 30.658 23.640 29.180 1.00 10.00 C ATOM 203 CG ASP A 16 29.256 23.157 28.882 1.00 10.00 C ATOM 204 OD1 ASP A 16 28.955 21.925 29.157 1.00 10.00 O ATOM 205 OD2 ASP A 16 28.480 24.025 28.375 1.00 10.00 O ATOM 0 H ASP A 16 32.892 23.892 30.520 1.00 10.00 H new ATOM 0 HA ASP A 16 30.284 25.126 30.586 1.00 10.00 H new ATOM 0 HB2 ASP A 16 30.922 24.432 28.480 1.00 10.00 H new ATOM 0 HB3 ASP A 16 31.362 22.824 29.019 1.00 10.00 H new ATOM 210 N LEU A 17 30.836 22.608 32.571 1.00 10.00 N ATOM 211 CA LEU A 17 30.143 21.728 33.485 1.00 10.00 C ATOM 212 C LEU A 17 29.767 22.370 34.841 1.00 10.00 C ATOM 213 O LEU A 17 28.790 21.988 35.499 1.00 10.00 O ATOM 214 CB LEU A 17 30.966 20.496 33.668 1.00 10.00 C ATOM 215 CG LEU A 17 31.001 19.519 32.510 1.00 10.00 C ATOM 216 CD1 LEU A 17 32.056 18.482 32.747 1.00 10.00 C ATOM 217 CD2 LEU A 17 29.655 18.762 32.312 1.00 10.00 C ATOM 0 H LEU A 17 31.855 22.597 32.622 1.00 10.00 H new ATOM 0 HA LEU A 17 29.180 21.485 33.036 1.00 10.00 H new ATOM 0 HB2 LEU A 17 31.990 20.801 33.886 1.00 10.00 H new ATOM 0 HB3 LEU A 17 30.596 19.968 34.547 1.00 10.00 H new ATOM 0 HG LEU A 17 31.206 20.116 31.621 1.00 10.00 H new ATOM 0 HD11 LEU A 17 32.074 17.784 31.910 1.00 10.00 H new ATOM 0 HD12 LEU A 17 33.028 18.966 32.837 1.00 10.00 H new ATOM 0 HD13 LEU A 17 31.834 17.940 33.666 1.00 10.00 H new ATOM 0 HD21 LEU A 17 29.743 18.078 31.468 1.00 10.00 H new ATOM 0 HD22 LEU A 17 29.419 18.198 33.214 1.00 10.00 H new ATOM 0 HD23 LEU A 17 28.859 19.480 32.115 1.00 10.00 H new ATOM 229 N LYS A 18 30.524 23.407 35.326 1.00 10.00 N ATOM 230 CA LYS A 18 30.045 24.279 36.401 1.00 10.00 C ATOM 231 C LYS A 18 28.875 25.055 35.801 1.00 10.00 C ATOM 232 O LYS A 18 27.940 25.233 36.549 1.00 10.00 O ATOM 233 CB LYS A 18 31.142 25.320 36.769 1.00 10.00 C ATOM 234 CG LYS A 18 32.144 24.934 37.757 1.00 10.00 C ATOM 235 CD LYS A 18 32.864 23.576 37.375 1.00 10.00 C ATOM 236 CE LYS A 18 33.657 23.082 38.621 1.00 10.00 C ATOM 237 NZ LYS A 18 34.833 23.907 38.912 1.00 10.00 N ATOM 0 H LYS A 18 31.455 23.640 34.980 1.00 10.00 H new ATOM 0 HA LYS A 18 29.781 23.701 37.286 1.00 10.00 H new ATOM 0 HB2 LYS A 18 31.664 25.594 35.852 1.00 10.00 H new ATOM 0 HB3 LYS A 18 30.643 26.218 37.132 1.00 10.00 H new ATOM 0 HG2 LYS A 18 32.888 25.726 37.847 1.00 10.00 H new ATOM 0 HG3 LYS A 18 31.669 24.830 38.733 1.00 10.00 H new ATOM 0 HD2 LYS A 18 32.131 22.829 37.070 1.00 10.00 H new ATOM 0 HD3 LYS A 18 33.537 23.726 36.531 1.00 10.00 H new ATOM 0 HE2 LYS A 18 32.997 23.080 39.488 1.00 10.00 H new ATOM 0 HE3 LYS A 18 33.973 22.052 38.459 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 35.321 23.532 39.750 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 35.480 23.889 38.098 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 34.534 24.886 39.095 1.00 10.00 H new ATOM 251 N GLU A 19 28.906 25.327 34.483 1.00 10.00 N ATOM 252 CA GLU A 19 27.626 25.784 33.870 1.00 10.00 C ATOM 253 C GLU A 19 26.425 24.826 34.121 1.00 10.00 C ATOM 254 O GLU A 19 25.313 25.191 34.585 1.00 10.00 O ATOM 255 CB GLU A 19 27.824 26.119 32.389 1.00 10.00 C ATOM 256 CG GLU A 19 27.518 27.551 31.950 1.00 10.00 C ATOM 257 CD GLU A 19 27.608 27.820 30.466 1.00 10.00 C ATOM 258 OE1 GLU A 19 26.581 27.668 29.758 1.00 10.00 O ATOM 259 OE2 GLU A 19 28.637 28.450 30.036 1.00 10.00 O ATOM 0 H GLU A 19 29.714 25.252 33.864 1.00 10.00 H new ATOM 0 HA GLU A 19 27.344 26.702 34.385 1.00 10.00 H new ATOM 0 HB2 GLU A 19 28.859 25.900 32.128 1.00 10.00 H new ATOM 0 HB3 GLU A 19 27.198 25.445 31.804 1.00 10.00 H new ATOM 0 HG2 GLU A 19 26.513 27.806 32.286 1.00 10.00 H new ATOM 0 HG3 GLU A 19 28.206 28.223 32.464 1.00 10.00 H new ATOM 266 N LYS A 20 26.692 23.582 33.781 1.00 10.00 N ATOM 267 CA LYS A 20 25.689 22.474 33.815 1.00 10.00 C ATOM 268 C LYS A 20 25.239 22.164 35.264 1.00 10.00 C ATOM 269 O LYS A 20 24.088 21.688 35.379 1.00 10.00 O ATOM 270 CB LYS A 20 26.233 21.201 33.162 1.00 10.00 C ATOM 271 CG LYS A 20 26.429 21.293 31.654 1.00 10.00 C ATOM 272 CD LYS A 20 25.114 21.121 30.770 1.00 10.00 C ATOM 273 CE LYS A 20 25.326 21.104 29.254 1.00 10.00 C ATOM 274 NZ LYS A 20 26.133 22.315 28.827 1.00 10.00 N ATOM 0 H LYS A 20 27.615 23.282 33.466 1.00 10.00 H new ATOM 0 HA LYS A 20 24.825 22.815 33.244 1.00 10.00 H new ATOM 0 HB2 LYS A 20 27.188 20.951 33.624 1.00 10.00 H new ATOM 0 HB3 LYS A 20 25.550 20.379 33.377 1.00 10.00 H new ATOM 0 HG2 LYS A 20 26.875 22.261 31.423 1.00 10.00 H new ATOM 0 HG3 LYS A 20 27.148 20.531 31.353 1.00 10.00 H new ATOM 0 HD2 LYS A 20 24.624 20.191 31.059 1.00 10.00 H new ATOM 0 HD3 LYS A 20 24.428 21.932 31.013 1.00 10.00 H new ATOM 0 HE2 LYS A 20 25.844 20.191 28.962 1.00 10.00 H new ATOM 0 HE3 LYS A 20 24.363 21.101 28.744 1.00 10.00 H new ATOM 0 HZ1 LYS A 20 25.782 22.661 27.911 1.00 10.00 H new ATOM 0 HZ2 LYS A 20 26.037 23.066 29.540 1.00 10.00 H new ATOM 0 HZ3 LYS A 20 27.135 22.050 28.736 1.00 10.00 H new ATOM 288 N LYS A 21 26.031 22.485 36.299 1.00 10.00 N ATOM 289 CA LYS A 21 25.639 22.324 37.661 1.00 10.00 C ATOM 290 C LYS A 21 24.974 23.527 38.291 1.00 10.00 C ATOM 291 O LYS A 21 24.405 23.457 39.422 1.00 10.00 O ATOM 292 CB LYS A 21 26.880 21.938 38.523 1.00 10.00 C ATOM 293 CG LYS A 21 27.337 20.474 38.299 1.00 10.00 C ATOM 294 CD LYS A 21 26.374 19.483 38.996 1.00 10.00 C ATOM 295 CE LYS A 21 26.798 18.012 38.744 1.00 10.00 C ATOM 296 NZ LYS A 21 25.744 17.052 39.155 1.00 10.00 N ATOM 0 H LYS A 21 26.970 22.867 36.185 1.00 10.00 H new ATOM 0 HA LYS A 21 24.887 21.536 37.644 1.00 10.00 H new ATOM 0 HB2 LYS A 21 27.704 22.611 38.286 1.00 10.00 H new ATOM 0 HB3 LYS A 21 26.643 22.082 39.577 1.00 10.00 H new ATOM 0 HG2 LYS A 21 27.375 20.260 37.231 1.00 10.00 H new ATOM 0 HG3 LYS A 21 28.347 20.340 38.687 1.00 10.00 H new ATOM 0 HD2 LYS A 21 26.359 19.681 40.068 1.00 10.00 H new ATOM 0 HD3 LYS A 21 25.360 19.639 38.629 1.00 10.00 H new ATOM 0 HE2 LYS A 21 27.021 17.875 37.686 1.00 10.00 H new ATOM 0 HE3 LYS A 21 27.716 17.800 39.293 1.00 10.00 H new ATOM 0 HZ1 LYS A 21 26.067 16.081 38.970 1.00 10.00 H new ATOM 0 HZ2 LYS A 21 25.549 17.164 40.170 1.00 10.00 H new ATOM 0 HZ3 LYS A 21 24.876 17.237 38.613 1.00 10.00 H new ATOM 310 N GLU A 22 25.190 24.657 37.655 1.00 10.00 N ATOM 311 CA GLU A 22 24.750 25.924 38.020 1.00 10.00 C ATOM 312 C GLU A 22 23.329 26.032 37.412 1.00 10.00 C ATOM 313 O GLU A 22 22.492 26.289 38.244 1.00 10.00 O ATOM 314 CB GLU A 22 25.828 26.994 37.612 1.00 10.00 C ATOM 315 CG GLU A 22 25.430 28.370 38.128 1.00 10.00 C ATOM 316 CD GLU A 22 26.377 29.576 37.702 1.00 10.00 C ATOM 317 OE1 GLU A 22 26.944 29.561 36.611 1.00 10.00 O ATOM 318 OE2 GLU A 22 26.483 30.585 38.481 1.00 10.00 O ATOM 0 H GLU A 22 25.733 24.680 36.792 1.00 10.00 H new ATOM 0 HA GLU A 22 24.651 26.113 39.089 1.00 10.00 H new ATOM 0 HB2 GLU A 22 26.800 26.713 38.018 1.00 10.00 H new ATOM 0 HB3 GLU A 22 25.931 27.021 36.527 1.00 10.00 H new ATOM 0 HG2 GLU A 22 24.420 28.588 37.782 1.00 10.00 H new ATOM 0 HG3 GLU A 22 25.392 28.331 39.217 1.00 10.00 H new ATOM 325 N VAL A 23 23.111 25.824 36.117 1.00 10.00 N ATOM 326 CA VAL A 23 21.801 25.763 35.544 1.00 10.00 C ATOM 327 C VAL A 23 20.949 24.837 36.415 1.00 10.00 C ATOM 328 O VAL A 23 19.761 25.047 36.708 1.00 10.00 O ATOM 329 CB VAL A 23 22.022 25.423 34.034 1.00 10.00 C ATOM 330 CG1 VAL A 23 22.315 23.941 33.614 1.00 10.00 C ATOM 331 CG2 VAL A 23 20.869 25.822 33.145 1.00 10.00 C ATOM 0 H VAL A 23 23.861 25.693 35.439 1.00 10.00 H new ATOM 0 HA VAL A 23 21.213 26.681 35.540 1.00 10.00 H new ATOM 0 HB VAL A 23 22.931 26.009 33.896 1.00 10.00 H new ATOM 0 HG11 VAL A 23 22.442 23.888 32.533 1.00 10.00 H new ATOM 0 HG12 VAL A 23 23.226 23.598 34.103 1.00 10.00 H new ATOM 0 HG13 VAL A 23 21.481 23.306 33.914 1.00 10.00 H new ATOM 0 HG21 VAL A 23 21.096 25.554 32.113 1.00 10.00 H new ATOM 0 HG22 VAL A 23 19.966 25.302 33.465 1.00 10.00 H new ATOM 0 HG23 VAL A 23 20.712 26.898 33.214 1.00 10.00 H new ATOM 341 N VAL A 24 21.543 23.746 36.790 1.00 10.00 N ATOM 342 CA VAL A 24 20.762 22.593 37.445 1.00 10.00 C ATOM 343 C VAL A 24 20.423 22.872 38.891 1.00 10.00 C ATOM 344 O VAL A 24 19.362 22.499 39.351 1.00 10.00 O ATOM 345 CB VAL A 24 21.467 21.287 37.224 1.00 10.00 C ATOM 346 CG1 VAL A 24 22.427 20.899 38.383 1.00 10.00 C ATOM 347 CG2 VAL A 24 20.510 20.185 36.887 1.00 10.00 C ATOM 0 H VAL A 24 22.543 23.574 36.683 1.00 10.00 H new ATOM 0 HA VAL A 24 19.794 22.511 36.951 1.00 10.00 H new ATOM 0 HB VAL A 24 22.106 21.437 36.354 1.00 10.00 H new ATOM 0 HG11 VAL A 24 22.903 19.945 38.157 1.00 10.00 H new ATOM 0 HG12 VAL A 24 23.191 21.668 38.495 1.00 10.00 H new ATOM 0 HG13 VAL A 24 21.861 20.812 39.310 1.00 10.00 H new ATOM 0 HG21 VAL A 24 21.062 19.258 36.735 1.00 10.00 H new ATOM 0 HG22 VAL A 24 19.801 20.056 37.705 1.00 10.00 H new ATOM 0 HG23 VAL A 24 19.969 20.439 35.975 1.00 10.00 H new ATOM 357 N GLU A 25 21.321 23.618 39.673 1.00 10.00 N ATOM 358 CA GLU A 25 21.008 24.064 40.993 1.00 10.00 C ATOM 359 C GLU A 25 20.098 25.363 41.030 1.00 10.00 C ATOM 360 O GLU A 25 19.243 25.470 41.987 1.00 10.00 O ATOM 361 CB GLU A 25 22.273 24.118 41.865 1.00 10.00 C ATOM 362 CG GLU A 25 22.767 22.703 42.258 1.00 10.00 C ATOM 363 CD GLU A 25 23.963 22.858 43.173 1.00 10.00 C ATOM 364 OE1 GLU A 25 23.927 23.639 44.170 1.00 10.00 O ATOM 365 OE2 GLU A 25 24.872 22.053 43.013 1.00 10.00 O ATOM 0 H GLU A 25 22.251 23.890 39.354 1.00 10.00 H new ATOM 0 HA GLU A 25 20.362 23.317 41.454 1.00 10.00 H new ATOM 0 HB2 GLU A 25 23.063 24.641 41.326 1.00 10.00 H new ATOM 0 HB3 GLU A 25 22.067 24.694 42.767 1.00 10.00 H new ATOM 0 HG2 GLU A 25 21.974 22.149 42.760 1.00 10.00 H new ATOM 0 HG3 GLU A 25 23.040 22.135 41.369 1.00 10.00 H new ATOM 372 N GLU A 26 20.044 26.018 39.887 1.00 10.00 N ATOM 373 CA GLU A 26 18.970 27.086 39.625 1.00 10.00 C ATOM 374 C GLU A 26 17.618 26.466 39.152 1.00 10.00 C ATOM 375 O GLU A 26 16.503 27.014 39.609 1.00 10.00 O ATOM 376 CB GLU A 26 19.424 28.057 38.544 1.00 10.00 C ATOM 377 CG GLU A 26 20.539 29.002 38.869 1.00 10.00 C ATOM 378 CD GLU A 26 20.306 29.584 40.306 1.00 10.00 C ATOM 379 OE1 GLU A 26 19.337 30.391 40.377 1.00 10.00 O ATOM 380 OE2 GLU A 26 21.085 29.376 41.240 1.00 10.00 O ATOM 0 H GLU A 26 20.691 25.870 39.113 1.00 10.00 H new ATOM 0 HA GLU A 26 18.823 27.598 40.576 1.00 10.00 H new ATOM 0 HB2 GLU A 26 19.725 27.472 37.675 1.00 10.00 H new ATOM 0 HB3 GLU A 26 18.560 28.651 38.245 1.00 10.00 H new ATOM 0 HG2 GLU A 26 21.497 28.485 38.822 1.00 10.00 H new ATOM 0 HG3 GLU A 26 20.576 29.808 38.137 1.00 10.00 H new ATOM 387 N ALA A 27 17.634 25.344 38.417 1.00 10.00 N ATOM 388 CA ALA A 27 16.483 24.505 37.998 1.00 10.00 C ATOM 389 C ALA A 27 15.961 23.773 39.223 1.00 10.00 C ATOM 390 O ALA A 27 14.725 23.586 39.383 1.00 10.00 O ATOM 391 CB ALA A 27 17.023 23.486 36.964 1.00 10.00 C ATOM 0 H ALA A 27 18.515 24.964 38.070 1.00 10.00 H new ATOM 0 HA ALA A 27 15.678 25.098 37.564 1.00 10.00 H new ATOM 0 HB1 ALA A 27 16.209 22.845 36.626 1.00 10.00 H new ATOM 0 HB2 ALA A 27 17.442 24.020 36.111 1.00 10.00 H new ATOM 0 HB3 ALA A 27 17.798 22.875 37.426 1.00 10.00 H new