USER MOD reduce.3.24.130724 H: found=0, std=0, add=198, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 200 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 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 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 21 THR OG1 : rot 180:sc= -0.0329 USER MOD Single : A 22 THR OG1 : rot 84:sc= 0.408 USER MOD ----------------------------------------------------------------- ATOM 8 N ILE A 2 3.367 -0.169 -1.192 1.00 60.45 N ATOM 9 CA ILE A 2 4.779 0.104 -0.955 1.00 12.14 C ATOM 10 C ILE A 2 5.472 0.565 -2.232 1.00 3.40 C ATOM 11 O ILE A 2 6.502 1.237 -2.184 1.00 53.21 O ATOM 12 CB ILE A 2 5.508 -1.137 -0.407 1.00 62.04 C ATOM 13 CG1 ILE A 2 4.800 -1.661 0.844 1.00 64.23 C ATOM 14 CG2 ILE A 2 6.961 -0.805 -0.101 1.00 20.32 C ATOM 15 CD1 ILE A 2 4.351 -3.101 0.725 1.00 4.15 C ATOM 0 HA ILE A 2 4.826 0.900 -0.212 1.00 12.14 H new ATOM 0 HB ILE A 2 5.486 -1.918 -1.167 1.00 62.04 H new ATOM 0 HG12 ILE A 2 5.471 -1.567 1.698 1.00 64.23 H new ATOM 0 HG13 ILE A 2 3.933 -1.034 1.050 1.00 64.23 H new ATOM 0 HG21 ILE A 2 7.463 -1.692 0.285 1.00 20.32 H new ATOM 0 HG22 ILE A 2 7.459 -0.475 -1.013 1.00 20.32 H new ATOM 0 HG23 ILE A 2 7.004 -0.010 0.644 1.00 20.32 H new ATOM 0 HD11 ILE A 2 3.857 -3.406 1.648 1.00 4.15 H new ATOM 0 HD12 ILE A 2 3.655 -3.197 -0.108 1.00 4.15 H new ATOM 0 HD13 ILE A 2 5.217 -3.739 0.549 1.00 4.15 H new ATOM 27 N GLY A 3 4.899 0.201 -3.375 1.00 60.20 N ATOM 28 CA GLY A 3 5.475 0.587 -4.650 1.00 14.41 C ATOM 29 C GLY A 3 5.634 2.089 -4.783 1.00 34.03 C ATOM 30 O GLY A 3 6.386 2.569 -5.631 1.00 22.12 O ATOM 0 H GLY A 3 4.046 -0.354 -3.441 1.00 60.20 H new ATOM 0 HA2 GLY A 3 6.448 0.110 -4.765 1.00 14.41 H new ATOM 0 HA3 GLY A 3 4.842 0.219 -5.458 1.00 14.41 H new ATOM 34 N LYS A 4 4.922 2.834 -3.944 1.00 1.22 N ATOM 35 CA LYS A 4 4.986 4.291 -3.970 1.00 65.43 C ATOM 36 C LYS A 4 6.212 4.795 -3.215 1.00 34.15 C ATOM 37 O LYS A 4 6.827 5.787 -3.603 1.00 65.14 O ATOM 38 CB LYS A 4 3.716 4.889 -3.361 1.00 64.14 C ATOM 39 CG LYS A 4 3.621 4.711 -1.856 1.00 24.30 C ATOM 40 CD LYS A 4 4.165 5.921 -1.116 1.00 14.43 C ATOM 41 CE LYS A 4 3.847 5.855 0.370 1.00 15.22 C ATOM 42 NZ LYS A 4 4.573 6.903 1.140 1.00 31.31 N ATOM 0 H LYS A 4 4.293 2.453 -3.237 1.00 1.22 H new ATOM 0 HA LYS A 4 5.066 4.608 -5.010 1.00 65.43 H new ATOM 0 HB2 LYS A 4 3.677 5.953 -3.596 1.00 64.14 H new ATOM 0 HB3 LYS A 4 2.847 4.427 -3.829 1.00 64.14 H new ATOM 0 HG2 LYS A 4 2.581 4.548 -1.573 1.00 24.30 H new ATOM 0 HG3 LYS A 4 4.176 3.821 -1.558 1.00 24.30 H new ATOM 0 HD2 LYS A 4 5.244 5.979 -1.256 1.00 14.43 H new ATOM 0 HD3 LYS A 4 3.739 6.830 -1.540 1.00 14.43 H new ATOM 0 HE2 LYS A 4 2.774 5.974 0.517 1.00 15.22 H new ATOM 0 HE3 LYS A 4 4.114 4.871 0.755 1.00 15.22 H new ATOM 0 HZ1 LYS A 4 4.329 6.824 2.148 1.00 31.31 H new ATOM 0 HZ2 LYS A 4 5.598 6.774 1.020 1.00 31.31 H new ATOM 0 HZ3 LYS A 4 4.299 7.843 0.790 1.00 31.31 H new ATOM 56 N ALA A 5 6.560 4.104 -2.134 1.00 3.52 N ATOM 57 CA ALA A 5 7.714 4.481 -1.326 1.00 71.32 C ATOM 58 C ALA A 5 9.009 3.968 -1.947 1.00 1.32 C ATOM 59 O ALA A 5 10.025 4.665 -1.953 1.00 30.14 O ATOM 60 CB ALA A 5 7.560 3.952 0.092 1.00 24.51 C ATOM 0 H ALA A 5 6.060 3.281 -1.798 1.00 3.52 H new ATOM 0 HA ALA A 5 7.764 5.569 -1.292 1.00 71.32 H new ATOM 0 HB1 ALA A 5 8.428 4.241 0.684 1.00 24.51 H new ATOM 0 HB2 ALA A 5 6.659 4.371 0.541 1.00 24.51 H new ATOM 0 HB3 ALA A 5 7.482 2.865 0.068 1.00 24.51 H new ATOM 66 N LEU A 6 8.967 2.747 -2.468 1.00 2.02 N ATOM 67 CA LEU A 6 10.139 2.140 -3.091 1.00 15.50 C ATOM 68 C LEU A 6 10.544 2.904 -4.348 1.00 12.35 C ATOM 69 O LEU A 6 11.729 3.031 -4.655 1.00 62.23 O ATOM 70 CB LEU A 6 9.856 0.678 -3.438 1.00 71.23 C ATOM 71 CG LEU A 6 11.063 -0.261 -3.424 1.00 40.35 C ATOM 72 CD1 LEU A 6 12.079 0.161 -4.474 1.00 44.51 C ATOM 73 CD2 LEU A 6 11.701 -0.289 -2.043 1.00 73.21 C ATOM 0 H LEU A 6 8.135 2.157 -2.472 1.00 2.02 H new ATOM 0 HA LEU A 6 10.963 2.185 -2.379 1.00 15.50 H new ATOM 0 HB2 LEU A 6 9.115 0.296 -2.736 1.00 71.23 H new ATOM 0 HB3 LEU A 6 9.404 0.642 -4.429 1.00 71.23 H new ATOM 0 HG LEU A 6 10.719 -1.267 -3.664 1.00 40.35 H new ATOM 0 HD11 LEU A 6 12.931 -0.518 -4.450 1.00 44.51 H new ATOM 0 HD12 LEU A 6 11.617 0.129 -5.461 1.00 44.51 H new ATOM 0 HD13 LEU A 6 12.418 1.176 -4.265 1.00 44.51 H new ATOM 0 HD21 LEU A 6 12.558 -0.962 -2.052 1.00 73.21 H new ATOM 0 HD22 LEU A 6 12.031 0.715 -1.774 1.00 73.21 H new ATOM 0 HD23 LEU A 6 10.972 -0.639 -1.312 1.00 73.21 H new ATOM 85 N LYS A 7 9.552 3.414 -5.070 1.00 33.14 N ATOM 86 CA LYS A 7 9.803 4.169 -6.291 1.00 64.03 C ATOM 87 C LYS A 7 10.554 5.461 -5.987 1.00 43.42 C ATOM 88 O LYS A 7 11.460 5.853 -6.723 1.00 42.31 O ATOM 89 CB LYS A 7 8.485 4.487 -6.999 1.00 54.43 C ATOM 90 CG LYS A 7 8.033 3.402 -7.961 1.00 33.23 C ATOM 91 CD LYS A 7 8.894 3.371 -9.212 1.00 24.12 C ATOM 92 CE LYS A 7 9.497 1.993 -9.440 1.00 10.03 C ATOM 93 NZ LYS A 7 8.600 1.122 -10.248 1.00 53.13 N ATOM 0 H LYS A 7 8.565 3.318 -4.830 1.00 33.14 H new ATOM 0 HA LYS A 7 10.421 3.556 -6.947 1.00 64.03 H new ATOM 0 HB2 LYS A 7 7.709 4.643 -6.250 1.00 54.43 H new ATOM 0 HB3 LYS A 7 8.593 5.424 -7.546 1.00 54.43 H new ATOM 0 HG2 LYS A 7 8.077 2.433 -7.464 1.00 33.23 H new ATOM 0 HG3 LYS A 7 6.993 3.571 -8.239 1.00 33.23 H new ATOM 0 HD2 LYS A 7 8.292 3.654 -10.076 1.00 24.12 H new ATOM 0 HD3 LYS A 7 9.692 4.108 -9.124 1.00 24.12 H new ATOM 0 HE2 LYS A 7 10.456 2.096 -9.947 1.00 10.03 H new ATOM 0 HE3 LYS A 7 9.694 1.519 -8.478 1.00 10.03 H new ATOM 0 HZ1 LYS A 7 9.047 0.192 -10.381 1.00 53.13 H new ATOM 0 HZ2 LYS A 7 7.693 1.003 -9.753 1.00 53.13 H new ATOM 0 HZ3 LYS A 7 8.432 1.562 -11.176 1.00 53.13 H new ATOM 107 N LYS A 8 10.173 6.119 -4.898 1.00 1.34 N ATOM 108 CA LYS A 8 10.812 7.366 -4.494 1.00 13.44 C ATOM 109 C LYS A 8 12.124 7.095 -3.766 1.00 23.43 C ATOM 110 O LYS A 8 13.042 7.913 -3.796 1.00 4.44 O ATOM 111 CB LYS A 8 9.875 8.175 -3.593 1.00 72.32 C ATOM 112 CG LYS A 8 9.594 7.511 -2.256 1.00 75.03 C ATOM 113 CD LYS A 8 8.887 8.458 -1.301 1.00 53.22 C ATOM 114 CE LYS A 8 9.080 8.036 0.147 1.00 31.12 C ATOM 115 NZ LYS A 8 10.372 8.528 0.701 1.00 15.50 N ATOM 0 H LYS A 8 9.424 5.809 -4.279 1.00 1.34 H new ATOM 0 HA LYS A 8 11.028 7.942 -5.394 1.00 13.44 H new ATOM 0 HB2 LYS A 8 10.313 9.157 -3.416 1.00 72.32 H new ATOM 0 HB3 LYS A 8 8.932 8.336 -4.115 1.00 72.32 H new ATOM 0 HG2 LYS A 8 8.980 6.624 -2.411 1.00 75.03 H new ATOM 0 HG3 LYS A 8 10.531 7.176 -1.811 1.00 75.03 H new ATOM 0 HD2 LYS A 8 9.269 9.469 -1.440 1.00 53.22 H new ATOM 0 HD3 LYS A 8 7.823 8.484 -1.535 1.00 53.22 H new ATOM 0 HE2 LYS A 8 8.257 8.420 0.750 1.00 31.12 H new ATOM 0 HE3 LYS A 8 9.046 6.949 0.216 1.00 31.12 H new ATOM 0 HZ1 LYS A 8 10.466 8.219 1.690 1.00 15.50 H new ATOM 0 HZ2 LYS A 8 11.159 8.142 0.142 1.00 15.50 H new ATOM 0 HZ3 LYS A 8 10.395 9.567 0.659 1.00 15.50 H new ATOM 129 N ALA A 9 12.206 5.939 -3.114 1.00 1.20 N ATOM 130 CA ALA A 9 13.408 5.559 -2.382 1.00 34.41 C ATOM 131 C ALA A 9 14.617 5.491 -3.308 1.00 72.15 C ATOM 132 O ALA A 9 15.752 5.702 -2.881 1.00 61.05 O ATOM 133 CB ALA A 9 13.199 4.223 -1.684 1.00 65.52 C ATOM 0 H ALA A 9 11.455 5.250 -3.078 1.00 1.20 H new ATOM 0 HA ALA A 9 13.603 6.324 -1.630 1.00 34.41 H new ATOM 0 HB1 ALA A 9 14.104 3.951 -1.141 1.00 65.52 H new ATOM 0 HB2 ALA A 9 12.367 4.304 -0.985 1.00 65.52 H new ATOM 0 HB3 ALA A 9 12.976 3.456 -2.426 1.00 65.52 H new ATOM 139 N LYS A 10 14.367 5.194 -4.579 1.00 54.53 N ATOM 140 CA LYS A 10 15.434 5.099 -5.568 1.00 2.22 C ATOM 141 C LYS A 10 16.308 6.349 -5.547 1.00 4.03 C ATOM 142 O LYS A 10 17.516 6.279 -5.778 1.00 14.01 O ATOM 143 CB LYS A 10 14.846 4.899 -6.966 1.00 60.13 C ATOM 144 CG LYS A 10 14.262 6.166 -7.568 1.00 20.53 C ATOM 145 CD LYS A 10 13.452 5.867 -8.818 1.00 32.00 C ATOM 146 CE LYS A 10 14.329 5.316 -9.932 1.00 34.41 C ATOM 147 NZ LYS A 10 13.644 5.367 -11.253 1.00 43.35 N ATOM 0 H LYS A 10 13.433 5.015 -4.948 1.00 54.53 H new ATOM 0 HA LYS A 10 16.054 4.239 -5.315 1.00 2.22 H new ATOM 0 HB2 LYS A 10 15.624 4.518 -7.627 1.00 60.13 H new ATOM 0 HB3 LYS A 10 14.068 4.137 -6.918 1.00 60.13 H new ATOM 0 HG2 LYS A 10 13.628 6.661 -6.832 1.00 20.53 H new ATOM 0 HG3 LYS A 10 15.067 6.859 -7.812 1.00 20.53 H new ATOM 0 HD2 LYS A 10 12.668 5.148 -8.581 1.00 32.00 H new ATOM 0 HD3 LYS A 10 12.958 6.777 -9.159 1.00 32.00 H new ATOM 0 HE2 LYS A 10 15.256 5.888 -9.981 1.00 34.41 H new ATOM 0 HE3 LYS A 10 14.602 4.286 -9.704 1.00 34.41 H new ATOM 0 HZ1 LYS A 10 14.274 4.983 -11.986 1.00 43.35 H new ATOM 0 HZ2 LYS A 10 12.772 4.801 -11.214 1.00 43.35 H new ATOM 0 HZ3 LYS A 10 13.406 6.353 -11.483 1.00 43.35 H new ATOM 161 N LYS A 11 15.692 7.492 -5.267 1.00 13.15 N ATOM 162 CA LYS A 11 16.413 8.758 -5.212 1.00 63.00 C ATOM 163 C LYS A 11 17.055 8.960 -3.843 1.00 15.21 C ATOM 164 O LYS A 11 18.072 9.640 -3.718 1.00 1.24 O ATOM 165 CB LYS A 11 15.468 9.921 -5.521 1.00 40.21 C ATOM 166 CG LYS A 11 16.073 11.287 -5.243 1.00 73.55 C ATOM 167 CD LYS A 11 15.074 12.402 -5.504 1.00 45.04 C ATOM 168 CE LYS A 11 13.876 12.306 -4.573 1.00 11.50 C ATOM 169 NZ LYS A 11 12.598 12.169 -5.325 1.00 62.15 N ATOM 0 H LYS A 11 14.693 7.568 -5.074 1.00 13.15 H new ATOM 0 HA LYS A 11 17.202 8.730 -5.963 1.00 63.00 H new ATOM 0 HB2 LYS A 11 15.173 9.870 -6.569 1.00 40.21 H new ATOM 0 HB3 LYS A 11 14.560 9.808 -4.929 1.00 40.21 H new ATOM 0 HG2 LYS A 11 16.409 11.333 -4.207 1.00 73.55 H new ATOM 0 HG3 LYS A 11 16.953 11.431 -5.870 1.00 73.55 H new ATOM 0 HD2 LYS A 11 15.562 13.368 -5.372 1.00 45.04 H new ATOM 0 HD3 LYS A 11 14.736 12.354 -6.539 1.00 45.04 H new ATOM 0 HE2 LYS A 11 14.000 11.451 -3.909 1.00 11.50 H new ATOM 0 HE3 LYS A 11 13.833 13.195 -3.943 1.00 11.50 H new ATOM 0 HZ1 LYS A 11 11.806 12.107 -4.654 1.00 62.15 H new ATOM 0 HZ2 LYS A 11 12.467 12.997 -5.940 1.00 62.15 H new ATOM 0 HZ3 LYS A 11 12.628 11.307 -5.907 1.00 62.15 H new ATOM 190 N ILE A 13 18.405 6.662 -2.166 1.00 22.11 N ATOM 191 CA ILE A 13 19.394 5.606 -1.987 1.00 41.10 C ATOM 192 C ILE A 13 20.650 6.139 -1.306 1.00 31.13 C ATOM 193 O ILE A 13 21.205 5.497 -0.415 1.00 3.41 O ATOM 194 CB ILE A 13 19.785 4.967 -3.333 1.00 4.43 C ATOM 195 CG1 ILE A 13 20.895 3.934 -3.128 1.00 73.30 C ATOM 196 CG2 ILE A 13 20.227 6.038 -4.319 1.00 2.42 C ATOM 197 CD1 ILE A 13 22.282 4.475 -3.395 1.00 73.12 C ATOM 0 HA ILE A 13 18.934 4.847 -1.354 1.00 41.10 H new ATOM 0 HB ILE A 13 18.913 4.459 -3.745 1.00 4.43 H new ATOM 0 HG12 ILE A 13 20.850 3.563 -2.104 1.00 73.30 H new ATOM 0 HG13 ILE A 13 20.713 3.083 -3.784 1.00 73.30 H new ATOM 0 HG21 ILE A 13 20.500 5.571 -5.265 1.00 2.42 H new ATOM 0 HG22 ILE A 13 19.410 6.741 -4.484 1.00 2.42 H new ATOM 0 HG23 ILE A 13 21.088 6.571 -3.916 1.00 2.42 H new ATOM 0 HD11 ILE A 13 23.018 3.688 -3.230 1.00 73.12 H new ATOM 0 HD12 ILE A 13 22.345 4.820 -4.427 1.00 73.12 H new ATOM 0 HD13 ILE A 13 22.484 5.307 -2.721 1.00 73.12 H new ATOM 209 N GLY A 14 21.092 7.319 -1.730 1.00 71.14 N ATOM 210 CA GLY A 14 22.278 7.920 -1.149 1.00 63.43 C ATOM 211 C GLY A 14 22.200 8.014 0.362 1.00 72.15 C ATOM 212 O GLY A 14 23.223 8.107 1.038 1.00 23.13 O ATOM 0 H GLY A 14 20.650 7.870 -2.466 1.00 71.14 H new ATOM 0 HA2 GLY A 14 23.153 7.333 -1.429 1.00 63.43 H new ATOM 0 HA3 GLY A 14 22.417 8.918 -1.565 1.00 63.43 H new ATOM 216 N ALA A 15 20.981 7.992 0.892 1.00 63.33 N ATOM 217 CA ALA A 15 20.773 8.075 2.332 1.00 43.21 C ATOM 218 C ALA A 15 21.237 6.800 3.028 1.00 14.13 C ATOM 219 O ALA A 15 21.602 6.820 4.204 1.00 43.43 O ATOM 220 CB ALA A 15 19.307 8.344 2.639 1.00 64.42 C ATOM 0 H ALA A 15 20.123 7.917 0.345 1.00 63.33 H new ATOM 0 HA ALA A 15 21.370 8.903 2.714 1.00 43.21 H new ATOM 0 HB1 ALA A 15 19.166 8.404 3.718 1.00 64.42 H new ATOM 0 HB2 ALA A 15 19.006 9.286 2.181 1.00 64.42 H new ATOM 0 HB3 ALA A 15 18.697 7.535 2.238 1.00 64.42 H new ATOM 226 N VAL A 16 21.218 5.691 2.296 1.00 71.02 N ATOM 227 CA VAL A 16 21.637 4.406 2.843 1.00 14.23 C ATOM 228 C VAL A 16 23.071 4.468 3.355 1.00 3.12 C ATOM 229 O VAL A 16 23.474 3.672 4.205 1.00 50.32 O ATOM 230 CB VAL A 16 21.526 3.285 1.792 1.00 1.54 C ATOM 231 CG1 VAL A 16 22.680 3.365 0.804 1.00 75.50 C ATOM 232 CG2 VAL A 16 21.485 1.924 2.469 1.00 62.41 C ATOM 0 H VAL A 16 20.917 5.656 1.322 1.00 71.02 H new ATOM 0 HA VAL A 16 20.967 4.182 3.673 1.00 14.23 H new ATOM 0 HB VAL A 16 20.596 3.418 1.239 1.00 1.54 H new ATOM 0 HG11 VAL A 16 22.586 2.566 0.069 1.00 75.50 H new ATOM 0 HG12 VAL A 16 22.658 4.329 0.296 1.00 75.50 H new ATOM 0 HG13 VAL A 16 23.624 3.257 1.338 1.00 75.50 H new ATOM 0 HG21 VAL A 16 21.406 1.143 1.712 1.00 62.41 H new ATOM 0 HG22 VAL A 16 22.397 1.778 3.048 1.00 62.41 H new ATOM 0 HG23 VAL A 16 20.622 1.874 3.133 1.00 62.41 H new ATOM 242 N LEU A 17 23.839 5.419 2.834 1.00 71.43 N ATOM 243 CA LEU A 17 25.231 5.586 3.238 1.00 35.13 C ATOM 244 C LEU A 17 25.399 6.827 4.108 1.00 2.42 C ATOM 245 O LEU A 17 26.336 6.920 4.902 1.00 15.13 O ATOM 246 CB LEU A 17 26.132 5.686 2.006 1.00 12.14 C ATOM 247 CG LEU A 17 27.380 4.803 2.015 1.00 43.35 C ATOM 248 CD1 LEU A 17 27.969 4.698 0.616 1.00 1.53 C ATOM 249 CD2 LEU A 17 28.413 5.349 2.990 1.00 33.55 C ATOM 0 H LEU A 17 23.521 6.086 2.131 1.00 71.43 H new ATOM 0 HA LEU A 17 25.522 4.713 3.822 1.00 35.13 H new ATOM 0 HB2 LEU A 17 25.540 5.435 1.126 1.00 12.14 H new ATOM 0 HB3 LEU A 17 26.446 6.724 1.893 1.00 12.14 H new ATOM 0 HG LEU A 17 27.093 3.804 2.343 1.00 43.35 H new ATOM 0 HD11 LEU A 17 28.857 4.066 0.641 1.00 1.53 H new ATOM 0 HD12 LEU A 17 27.232 4.261 -0.057 1.00 1.53 H new ATOM 0 HD13 LEU A 17 28.241 5.692 0.260 1.00 1.53 H new ATOM 0 HD21 LEU A 17 29.294 4.708 2.983 1.00 33.55 H new ATOM 0 HD22 LEU A 17 28.696 6.359 2.692 1.00 33.55 H new ATOM 0 HD23 LEU A 17 27.989 5.372 3.994 1.00 33.55 H new ATOM 261 N LYS A 18 24.485 7.780 3.955 1.00 63.42 N ATOM 262 CA LYS A 18 24.529 9.015 4.728 1.00 24.11 C ATOM 263 C LYS A 18 24.276 8.740 6.207 1.00 53.41 C ATOM 264 O LYS A 18 24.920 9.327 7.077 1.00 61.51 O ATOM 265 CB LYS A 18 23.494 10.010 4.198 1.00 22.32 C ATOM 266 CG LYS A 18 23.707 10.393 2.744 1.00 64.40 C ATOM 267 CD LYS A 18 24.322 11.776 2.616 1.00 42.30 C ATOM 268 CE LYS A 18 25.801 11.765 2.973 1.00 34.51 C ATOM 269 NZ LYS A 18 26.568 12.775 2.193 1.00 33.02 N ATOM 0 H LYS A 18 23.704 7.720 3.302 1.00 63.42 H new ATOM 0 HA LYS A 18 25.525 9.446 4.622 1.00 24.11 H new ATOM 0 HB2 LYS A 18 22.499 9.580 4.310 1.00 22.32 H new ATOM 0 HB3 LYS A 18 23.522 10.911 4.810 1.00 22.32 H new ATOM 0 HG2 LYS A 18 24.356 9.660 2.265 1.00 64.40 H new ATOM 0 HG3 LYS A 18 22.753 10.368 2.217 1.00 64.40 H new ATOM 0 HD2 LYS A 18 24.196 12.138 1.596 1.00 42.30 H new ATOM 0 HD3 LYS A 18 23.794 12.472 3.269 1.00 42.30 H new ATOM 0 HE2 LYS A 18 25.919 11.963 4.038 1.00 34.51 H new ATOM 0 HE3 LYS A 18 26.212 10.773 2.786 1.00 34.51 H new ATOM 0 HZ1 LYS A 18 27.571 12.736 2.465 1.00 33.02 H new ATOM 0 HZ2 LYS A 18 26.477 12.571 1.177 1.00 33.02 H new ATOM 0 HZ3 LYS A 18 26.193 13.725 2.391 1.00 33.02 H new ATOM 283 N VAL A 19 23.334 7.844 6.485 1.00 51.51 N ATOM 284 CA VAL A 19 22.997 7.490 7.859 1.00 41.34 C ATOM 285 C VAL A 19 23.855 6.331 8.353 1.00 3.54 C ATOM 286 O VAL A 19 24.179 6.246 9.539 1.00 42.22 O ATOM 287 CB VAL A 19 21.511 7.108 7.991 1.00 21.43 C ATOM 288 CG1 VAL A 19 20.629 8.340 7.862 1.00 74.32 C ATOM 289 CG2 VAL A 19 21.136 6.061 6.953 1.00 50.43 C ATOM 0 H VAL A 19 22.791 7.350 5.777 1.00 51.51 H new ATOM 0 HA VAL A 19 23.194 8.370 8.471 1.00 41.34 H new ATOM 0 HB VAL A 19 21.350 6.679 8.980 1.00 21.43 H new ATOM 0 HG11 VAL A 19 19.583 8.050 7.958 1.00 74.32 H new ATOM 0 HG12 VAL A 19 20.882 9.052 8.648 1.00 74.32 H new ATOM 0 HG13 VAL A 19 20.790 8.802 6.888 1.00 74.32 H new ATOM 0 HG21 VAL A 19 20.083 5.803 7.061 1.00 50.43 H new ATOM 0 HG22 VAL A 19 21.311 6.460 5.954 1.00 50.43 H new ATOM 0 HG23 VAL A 19 21.745 5.169 7.100 1.00 50.43 H new ATOM 299 N LEU A 20 24.221 5.441 7.438 1.00 23.13 N ATOM 300 CA LEU A 20 25.044 4.286 7.781 1.00 75.51 C ATOM 301 C LEU A 20 26.319 4.718 8.497 1.00 11.01 C ATOM 302 O LEU A 20 26.927 3.939 9.232 1.00 34.31 O ATOM 303 CB LEU A 20 25.396 3.494 6.520 1.00 22.04 C ATOM 304 CG LEU A 20 24.680 2.154 6.347 1.00 24.01 C ATOM 305 CD1 LEU A 20 25.138 1.466 5.070 1.00 35.23 C ATOM 306 CD2 LEU A 20 24.924 1.259 7.554 1.00 53.32 C ATOM 0 H LEU A 20 23.961 5.496 6.453 1.00 23.13 H new ATOM 0 HA LEU A 20 24.470 3.649 8.455 1.00 75.51 H new ATOM 0 HB2 LEU A 20 25.176 4.115 5.652 1.00 22.04 H new ATOM 0 HB3 LEU A 20 26.471 3.312 6.518 1.00 22.04 H new ATOM 0 HG LEU A 20 23.609 2.343 6.270 1.00 24.01 H new ATOM 0 HD11 LEU A 20 24.618 0.514 4.963 1.00 35.23 H new ATOM 0 HD12 LEU A 20 24.912 2.101 4.213 1.00 35.23 H new ATOM 0 HD13 LEU A 20 26.213 1.289 5.117 1.00 35.23 H new ATOM 0 HD21 LEU A 20 24.407 0.310 7.414 1.00 53.32 H new ATOM 0 HD22 LEU A 20 25.993 1.077 7.662 1.00 53.32 H new ATOM 0 HD23 LEU A 20 24.547 1.748 8.452 1.00 53.32 H new ATOM 318 N THR A 21 26.719 5.967 8.280 1.00 43.03 N ATOM 319 CA THR A 21 27.921 6.504 8.905 1.00 43.03 C ATOM 320 C THR A 21 27.703 6.753 10.393 1.00 62.42 C ATOM 321 O THR A 21 28.640 6.679 11.189 1.00 15.25 O ATOM 322 CB THR A 21 28.363 7.819 8.235 1.00 12.34 C ATOM 323 OG1 THR A 21 28.099 7.766 6.829 1.00 20.00 O ATOM 324 CG2 THR A 21 29.844 8.075 8.469 1.00 20.14 C ATOM 0 H THR A 21 26.228 6.626 7.676 1.00 43.03 H new ATOM 0 HA THR A 21 28.705 5.758 8.776 1.00 43.03 H new ATOM 0 HB THR A 21 27.795 8.636 8.680 1.00 12.34 H new ATOM 0 HG1 THR A 21 28.381 8.606 6.411 1.00 20.00 H new ATOM 0 HG21 THR A 21 30.132 9.009 7.987 1.00 20.14 H new ATOM 0 HG22 THR A 21 30.036 8.145 9.540 1.00 20.14 H new ATOM 0 HG23 THR A 21 30.426 7.255 8.049 1.00 20.14 H new ATOM 332 N THR A 22 26.461 7.047 10.763 1.00 33.42 N ATOM 333 CA THR A 22 26.120 7.306 12.156 1.00 13.51 C ATOM 334 C THR A 22 26.509 6.132 13.046 1.00 60.41 C ATOM 335 O THR A 22 26.740 6.297 14.243 1.00 63.32 O ATOM 336 CB THR A 22 24.614 7.585 12.323 1.00 0.52 C ATOM 337 OG1 THR A 22 24.176 8.519 11.330 1.00 13.53 O ATOM 338 CG2 THR A 22 24.316 8.135 13.710 1.00 21.21 C ATOM 0 H THR A 22 25.674 7.112 10.117 1.00 33.42 H new ATOM 0 HA THR A 22 26.682 8.189 12.459 1.00 13.51 H new ATOM 0 HB THR A 22 24.077 6.645 12.199 1.00 0.52 H new ATOM 0 HG1 THR A 22 23.978 8.042 10.497 1.00 13.53 H new ATOM 0 HG21 THR A 22 23.247 8.324 13.804 1.00 21.21 H new ATOM 0 HG22 THR A 22 24.624 7.410 14.463 1.00 21.21 H new ATOM 0 HG23 THR A 22 24.864 9.066 13.858 1.00 21.21 H new ATOM 346 N GLY A 23 26.580 4.944 12.453 1.00 63.35 N ATOM 347 CA GLY A 23 26.943 3.758 13.207 1.00 11.20 C ATOM 348 C GLY A 23 28.197 3.093 12.675 1.00 52.31 C ATOM 349 O GLY A 23 28.761 2.208 13.320 1.00 74.04 O ATOM 0 H GLY A 23 26.393 4.782 11.464 1.00 63.35 H new ATOM 0 HA2 GLY A 23 27.094 4.028 14.252 1.00 11.20 H new ATOM 0 HA3 GLY A 23 26.118 3.046 13.178 1.00 11.20 H new ATOM 353 N LEU A 24 28.635 3.518 11.495 1.00 54.41 N ATOM 354 CA LEU A 24 29.830 2.957 10.875 1.00 53.03 C ATOM 355 C LEU A 24 31.024 3.042 11.819 1.00 24.34 C ATOM 356 O LEU A 24 31.654 2.032 12.132 1.00 64.41 O ATOM 357 CB LEU A 24 30.144 3.691 9.570 1.00 72.11 C ATOM 358 CG LEU A 24 31.153 3.012 8.644 1.00 64.40 C ATOM 359 CD1 LEU A 24 30.595 1.699 8.117 1.00 50.05 C ATOM 360 CD2 LEU A 24 31.527 3.935 7.494 1.00 64.25 C ATOM 0 H LEU A 24 28.180 4.249 10.948 1.00 54.41 H new ATOM 0 HA LEU A 24 29.637 1.907 10.657 1.00 53.03 H new ATOM 0 HB2 LEU A 24 29.213 3.829 9.021 1.00 72.11 H new ATOM 0 HB3 LEU A 24 30.519 4.685 9.816 1.00 72.11 H new ATOM 0 HG LEU A 24 32.054 2.795 9.217 1.00 64.40 H new ATOM 0 HD11 LEU A 24 31.327 1.230 7.460 1.00 50.05 H new ATOM 0 HD12 LEU A 24 30.379 1.034 8.953 1.00 50.05 H new ATOM 0 HD13 LEU A 24 29.678 1.891 7.560 1.00 50.05 H new ATOM 0 HD21 LEU A 24 32.246 3.435 6.845 1.00 64.25 H new ATOM 0 HD22 LEU A 24 30.633 4.184 6.922 1.00 64.25 H new ATOM 0 HD23 LEU A 24 31.970 4.849 7.890 1.00 64.25 H new