USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 398 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 1 VAL N :NH3+ -163:sc= -0.12 (180deg=-0.679) USER MOD Single : A 6 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 9 CYS SG : rot 180:sc= -0.366 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 LYS N :NH3+ -155:sc= 0.45 (180deg=-0.0385) USER MOD Single : B 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 TYR OH : rot 180:sc= 0 USER MOD Single : B 5 THR OG1 : rot 180:sc= 0.0097 USER MOD Single : B 6 THR OG1 : rot -146:sc= 0.62 USER MOD Single : B 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 9 ASN : amide:sc= -1.3 K(o=-1.3,f=0.8) USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 THR OG1 : rot 52:sc= -0.0185 USER MOD Single : B 16 HIS : no HD1:sc= -1.05 X(o=-1.1,f=-0.62) USER MOD Single : B 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 25 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 THR OG1 : rot 150:sc= -0.863 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -6.107 -2.019 -16.736 1.00 3.00 N ATOM 2 CA VAL A 1 -6.404 -0.610 -16.971 1.00 12.15 C ATOM 3 C VAL A 1 -5.272 0.280 -16.470 1.00 23.22 C ATOM 4 O VAL A 1 -5.367 0.879 -15.399 1.00 42.52 O ATOM 5 CB VAL A 1 -7.716 -0.191 -16.281 1.00 11.11 C ATOM 6 CG1 VAL A 1 -8.064 1.249 -16.627 1.00 53.03 C ATOM 7 CG2 VAL A 1 -8.846 -1.130 -16.673 1.00 14.42 C ATOM 0 H1 VAL A 1 -6.729 -2.608 -17.325 1.00 3.00 H new ATOM 0 H2 VAL A 1 -5.115 -2.210 -16.982 1.00 3.00 H new ATOM 0 H3 VAL A 1 -6.265 -2.244 -15.733 1.00 3.00 H new ATOM 0 HA VAL A 1 -6.512 -0.484 -18.048 1.00 12.15 H new ATOM 0 HB VAL A 1 -7.577 -0.257 -15.202 1.00 11.11 H new ATOM 0 HG11 VAL A 1 -8.994 1.528 -16.131 1.00 53.03 H new ATOM 0 HG12 VAL A 1 -7.262 1.908 -16.292 1.00 53.03 H new ATOM 0 HG13 VAL A 1 -8.186 1.345 -17.706 1.00 53.03 H new ATOM 0 HG21 VAL A 1 -9.766 -0.820 -16.177 1.00 14.42 H new ATOM 0 HG22 VAL A 1 -8.988 -1.098 -17.753 1.00 14.42 H new ATOM 0 HG23 VAL A 1 -8.596 -2.147 -16.370 1.00 14.42 H new ATOM 17 N ALA A 2 -4.201 0.362 -17.251 1.00 74.25 N ATOM 18 CA ALA A 2 -3.051 1.182 -16.889 1.00 53.51 C ATOM 19 C ALA A 2 -2.948 2.411 -17.787 1.00 12.40 C ATOM 20 O ALA A 2 -2.010 2.539 -18.573 1.00 54.30 O ATOM 21 CB ALA A 2 -1.773 0.361 -16.966 1.00 12.10 C ATOM 0 H ALA A 2 -4.105 -0.130 -18.140 1.00 74.25 H new ATOM 0 HA ALA A 2 -3.189 1.525 -15.863 1.00 53.51 H new ATOM 0 HB1 ALA A 2 -0.922 0.986 -16.693 1.00 12.10 H new ATOM 0 HB2 ALA A 2 -1.840 -0.482 -16.278 1.00 12.10 H new ATOM 0 HB3 ALA A 2 -1.640 -0.010 -17.982 1.00 12.10 H new ATOM 27 N ARG A 3 -3.918 3.311 -17.663 1.00 54.04 N ATOM 28 CA ARG A 3 -3.936 4.528 -18.465 1.00 44.22 C ATOM 29 C ARG A 3 -3.913 5.767 -17.574 1.00 31.13 C ATOM 30 O ARG A 3 -3.704 6.882 -18.049 1.00 44.21 O ATOM 31 CB ARG A 3 -5.176 4.555 -19.361 1.00 43.00 C ATOM 32 CG ARG A 3 -5.838 3.197 -19.527 1.00 10.24 C ATOM 33 CD ARG A 3 -7.055 3.277 -20.434 1.00 50.44 C ATOM 34 NE ARG A 3 -8.267 3.619 -19.695 1.00 50.10 N ATOM 35 CZ ARG A 3 -9.486 3.578 -20.222 1.00 52.11 C ATOM 36 NH1 ARG A 3 -9.654 3.212 -21.486 1.00 24.35 N ATOM 37 NH2 ARG A 3 -10.541 3.904 -19.485 1.00 33.22 N ATOM 0 H ARG A 3 -4.701 3.220 -17.015 1.00 54.04 H new ATOM 0 HA ARG A 3 -3.043 4.534 -19.090 1.00 44.22 H new ATOM 0 HB2 ARG A 3 -5.900 5.254 -18.943 1.00 43.00 H new ATOM 0 HB3 ARG A 3 -4.896 4.935 -20.343 1.00 43.00 H new ATOM 0 HG2 ARG A 3 -5.120 2.489 -19.942 1.00 10.24 H new ATOM 0 HG3 ARG A 3 -6.135 2.814 -18.551 1.00 10.24 H new ATOM 0 HD2 ARG A 3 -6.881 4.023 -21.209 1.00 50.44 H new ATOM 0 HD3 ARG A 3 -7.195 2.321 -20.938 1.00 50.44 H new ATOM 0 HE ARG A 3 -8.173 3.905 -18.721 1.00 50.10 H new ATOM 0 HH11 ARG A 3 -8.846 2.961 -22.056 1.00 24.35 H new ATOM 0 HH12 ARG A 3 -10.591 3.181 -21.888 1.00 24.35 H new ATOM 0 HH21 ARG A 3 -10.416 4.186 -18.513 1.00 33.22 H new ATOM 0 HH22 ARG A 3 -11.476 3.872 -19.891 1.00 33.22 H new ATOM 51 N GLY A 4 -4.129 5.561 -16.278 1.00 21.02 N ATOM 52 CA GLY A 4 -4.129 6.669 -15.341 1.00 61.44 C ATOM 53 C GLY A 4 -2.728 7.105 -14.959 1.00 62.21 C ATOM 54 O GLY A 4 -2.543 8.157 -14.346 1.00 52.22 O ATOM 0 H GLY A 4 -4.304 4.647 -15.861 1.00 21.02 H new ATOM 0 HA2 GLY A 4 -4.662 7.512 -15.780 1.00 61.44 H new ATOM 0 HA3 GLY A 4 -4.674 6.381 -14.442 1.00 61.44 H new ATOM 58 N TRP A 5 -1.739 6.295 -15.319 1.00 43.43 N ATOM 59 CA TRP A 5 -0.348 6.602 -15.008 1.00 30.54 C ATOM 60 C TRP A 5 0.500 6.631 -16.274 1.00 14.21 C ATOM 61 O TRP A 5 1.598 7.187 -16.287 1.00 61.32 O ATOM 62 CB TRP A 5 0.216 5.574 -14.025 1.00 64.01 C ATOM 63 CG TRP A 5 -0.845 4.800 -13.303 1.00 40.12 C ATOM 64 CD1 TRP A 5 -1.770 5.296 -12.428 1.00 13.11 C ATOM 65 CD2 TRP A 5 -1.088 3.392 -13.391 1.00 53.01 C ATOM 66 NE1 TRP A 5 -2.573 4.281 -11.968 1.00 1.31 N ATOM 67 CE2 TRP A 5 -2.176 3.103 -12.544 1.00 11.34 C ATOM 68 CE3 TRP A 5 -0.494 2.347 -14.105 1.00 42.32 C ATOM 69 CZ2 TRP A 5 -2.679 1.813 -12.393 1.00 45.44 C ATOM 70 CZ3 TRP A 5 -0.995 1.069 -13.953 1.00 12.04 C ATOM 71 CH2 TRP A 5 -2.079 0.810 -13.103 1.00 70.44 C ATOM 0 H TRP A 5 -1.875 5.421 -15.827 1.00 43.43 H new ATOM 0 HA TRP A 5 -0.315 7.590 -14.549 1.00 30.54 H new ATOM 0 HB2 TRP A 5 0.859 4.879 -14.566 1.00 64.01 H new ATOM 0 HB3 TRP A 5 0.843 6.086 -13.295 1.00 64.01 H new ATOM 0 HD1 TRP A 5 -1.857 6.333 -12.140 1.00 13.11 H new ATOM 0 HE1 TRP A 5 -3.341 4.387 -11.305 1.00 1.31 H new ATOM 0 HE3 TRP A 5 0.341 2.536 -14.763 1.00 42.32 H new ATOM 0 HZ2 TRP A 5 -3.514 1.612 -11.738 1.00 45.44 H new ATOM 0 HZ3 TRP A 5 -0.543 0.254 -14.499 1.00 12.04 H new ATOM 0 HH2 TRP A 5 -2.447 -0.201 -13.007 1.00 70.44 H new ATOM 82 N LYS A 6 -0.016 6.027 -17.340 1.00 34.42 N ATOM 83 CA LYS A 6 0.692 5.983 -18.614 1.00 24.41 C ATOM 84 C LYS A 6 0.578 7.318 -19.345 1.00 35.52 C ATOM 85 O LYS A 6 1.471 7.698 -20.104 1.00 42.22 O ATOM 86 CB LYS A 6 0.139 4.859 -19.491 1.00 51.41 C ATOM 87 CG LYS A 6 1.202 3.895 -19.987 1.00 54.51 C ATOM 88 CD LYS A 6 2.466 4.625 -20.405 1.00 62.33 C ATOM 89 CE LYS A 6 3.130 3.953 -21.597 1.00 61.00 C ATOM 90 NZ LYS A 6 2.464 4.314 -22.878 1.00 74.24 N ATOM 0 H LYS A 6 -0.923 5.561 -17.346 1.00 34.42 H new ATOM 0 HA LYS A 6 1.745 5.789 -18.410 1.00 24.41 H new ATOM 0 HB2 LYS A 6 -0.608 4.303 -18.925 1.00 51.41 H new ATOM 0 HB3 LYS A 6 -0.371 5.297 -20.349 1.00 51.41 H new ATOM 0 HG2 LYS A 6 1.438 3.177 -19.201 1.00 54.51 H new ATOM 0 HG3 LYS A 6 0.813 3.326 -20.832 1.00 54.51 H new ATOM 0 HD2 LYS A 6 2.225 5.658 -20.656 1.00 62.33 H new ATOM 0 HD3 LYS A 6 3.164 4.655 -19.568 1.00 62.33 H new ATOM 0 HE2 LYS A 6 4.180 4.243 -21.639 1.00 61.00 H new ATOM 0 HE3 LYS A 6 3.103 2.871 -21.466 1.00 61.00 H new ATOM 0 HZ1 LYS A 6 2.946 3.836 -23.666 1.00 74.24 H new ATOM 0 HZ2 LYS A 6 1.468 4.015 -22.848 1.00 74.24 H new ATOM 0 HZ3 LYS A 6 2.512 5.344 -23.016 1.00 74.24 H new ATOM 104 N ARG A 7 -0.522 8.024 -19.111 1.00 1.13 N ATOM 105 CA ARG A 7 -0.752 9.315 -19.748 1.00 5.42 C ATOM 106 C ARG A 7 -0.821 10.429 -18.707 1.00 70.11 C ATOM 107 O ARG A 7 -0.552 11.592 -19.009 1.00 20.33 O ATOM 108 CB ARG A 7 -2.046 9.283 -20.562 1.00 33.31 C ATOM 109 CG ARG A 7 -2.153 8.081 -21.487 1.00 52.31 C ATOM 110 CD ARG A 7 -2.887 6.928 -20.819 1.00 62.24 C ATOM 111 NE ARG A 7 -2.931 5.741 -21.670 1.00 42.24 N ATOM 112 CZ ARG A 7 -3.773 5.597 -22.687 1.00 42.12 C ATOM 113 NH1 ARG A 7 -4.637 6.561 -22.979 1.00 25.13 N ATOM 114 NH2 ARG A 7 -3.754 4.488 -23.414 1.00 73.41 N ATOM 0 H ARG A 7 -1.269 7.724 -18.485 1.00 1.13 H new ATOM 0 HA ARG A 7 0.085 9.516 -20.417 1.00 5.42 H new ATOM 0 HB2 ARG A 7 -2.895 9.282 -19.879 1.00 33.31 H new ATOM 0 HB3 ARG A 7 -2.115 10.195 -21.155 1.00 33.31 H new ATOM 0 HG2 ARG A 7 -2.677 8.368 -22.399 1.00 52.31 H new ATOM 0 HG3 ARG A 7 -1.155 7.757 -21.781 1.00 52.31 H new ATOM 0 HD2 ARG A 7 -2.395 6.682 -19.878 1.00 62.24 H new ATOM 0 HD3 ARG A 7 -3.903 7.238 -20.576 1.00 62.24 H new ATOM 0 HE ARG A 7 -2.279 4.982 -21.472 1.00 42.24 H new ATOM 0 HH11 ARG A 7 -4.656 7.415 -22.422 1.00 25.13 H new ATOM 0 HH12 ARG A 7 -5.282 6.448 -23.761 1.00 25.13 H new ATOM 0 HH21 ARG A 7 -3.092 3.744 -23.192 1.00 73.41 H new ATOM 0 HH22 ARG A 7 -4.401 4.379 -24.195 1.00 73.41 H new ATOM 128 N LYS A 8 -1.184 10.066 -17.481 1.00 55.34 N ATOM 129 CA LYS A 8 -1.289 11.033 -16.396 1.00 41.14 C ATOM 130 C LYS A 8 -0.212 10.788 -15.344 1.00 4.13 C ATOM 131 O LYS A 8 -0.488 10.810 -14.143 1.00 42.31 O ATOM 132 CB LYS A 8 -2.675 10.959 -15.750 1.00 73.33 C ATOM 133 CG LYS A 8 -3.741 10.381 -16.664 1.00 74.24 C ATOM 134 CD LYS A 8 -3.956 11.252 -17.891 1.00 71.30 C ATOM 135 CE LYS A 8 -5.321 11.923 -17.866 1.00 44.22 C ATOM 136 NZ LYS A 8 -6.286 11.252 -18.781 1.00 62.42 N ATOM 0 H LYS A 8 -1.410 9.108 -17.215 1.00 55.34 H new ATOM 0 HA LYS A 8 -1.144 12.029 -16.815 1.00 41.14 H new ATOM 0 HB2 LYS A 8 -2.614 10.351 -14.847 1.00 73.33 H new ATOM 0 HB3 LYS A 8 -2.977 11.960 -15.441 1.00 73.33 H new ATOM 0 HG2 LYS A 8 -3.450 9.378 -16.975 1.00 74.24 H new ATOM 0 HG3 LYS A 8 -4.678 10.285 -16.116 1.00 74.24 H new ATOM 0 HD2 LYS A 8 -3.176 12.012 -17.940 1.00 71.30 H new ATOM 0 HD3 LYS A 8 -3.865 10.644 -18.791 1.00 71.30 H new ATOM 0 HE2 LYS A 8 -5.714 11.908 -16.850 1.00 44.22 H new ATOM 0 HE3 LYS A 8 -5.217 12.969 -18.152 1.00 44.22 H new ATOM 0 HZ1 LYS A 8 -7.204 11.739 -18.735 1.00 62.42 H new ATOM 0 HZ2 LYS A 8 -5.923 11.288 -19.755 1.00 62.42 H new ATOM 0 HZ3 LYS A 8 -6.406 10.260 -18.493 1.00 62.42 H new ATOM 150 N CYS A 9 1.013 10.555 -15.800 1.00 22.11 N ATOM 151 CA CYS A 9 2.131 10.306 -14.897 1.00 72.13 C ATOM 152 C CYS A 9 2.557 11.591 -14.193 1.00 12.33 C ATOM 153 O CYS A 9 2.537 11.690 -12.965 1.00 33.01 O ATOM 154 CB CYS A 9 3.313 9.717 -15.667 1.00 33.51 C ATOM 155 SG CYS A 9 4.929 10.126 -14.966 1.00 25.23 S ATOM 0 H CYS A 9 1.258 10.533 -16.790 1.00 22.11 H new ATOM 0 HA CYS A 9 1.805 9.590 -14.142 1.00 72.13 H new ATOM 0 HB2 CYS A 9 3.207 8.633 -15.700 1.00 33.51 H new ATOM 0 HB3 CYS A 9 3.275 10.072 -16.697 1.00 33.51 H new ATOM 0 HG CYS A 9 5.865 9.581 -15.686 1.00 25.23 H new ATOM 161 N PRO A 10 2.953 12.597 -14.985 1.00 43.30 N ATOM 162 CA PRO A 10 3.392 13.893 -14.458 1.00 74.45 C ATOM 163 C PRO A 10 2.244 14.692 -13.851 1.00 53.35 C ATOM 164 O PRO A 10 2.464 15.663 -13.127 1.00 42.31 O ATOM 165 CB PRO A 10 3.947 14.608 -15.693 1.00 41.31 C ATOM 166 CG PRO A 10 3.236 13.982 -16.843 1.00 73.45 C ATOM 167 CD PRO A 10 3.001 12.549 -16.456 1.00 41.21 C ATOM 0 HA PRO A 10 4.117 13.780 -13.651 1.00 74.45 H new ATOM 0 HB2 PRO A 10 3.759 15.681 -15.648 1.00 41.31 H new ATOM 0 HB3 PRO A 10 5.026 14.477 -15.775 1.00 41.31 H new ATOM 0 HG2 PRO A 10 2.293 14.492 -17.043 1.00 73.45 H new ATOM 0 HG3 PRO A 10 3.833 14.047 -17.753 1.00 73.45 H new ATOM 0 HD2 PRO A 10 2.071 12.167 -16.876 1.00 41.21 H new ATOM 0 HD3 PRO A 10 3.802 11.900 -16.811 1.00 41.21 H new ATOM 175 N LEU A 11 1.018 14.277 -14.151 1.00 42.15 N ATOM 176 CA LEU A 11 -0.167 14.954 -13.634 1.00 31.10 C ATOM 177 C LEU A 11 -0.680 14.265 -12.374 1.00 43.44 C ATOM 178 O LEU A 11 -0.471 14.748 -11.261 1.00 44.21 O ATOM 179 CB LEU A 11 -1.266 14.984 -14.698 1.00 40.12 C ATOM 180 CG LEU A 11 -1.206 16.144 -15.692 1.00 11.43 C ATOM 181 CD1 LEU A 11 -1.746 15.714 -17.048 1.00 31.34 C ATOM 182 CD2 LEU A 11 -1.984 17.341 -15.163 1.00 51.11 C ATOM 0 H LEU A 11 0.818 13.475 -14.749 1.00 42.15 H new ATOM 0 HA LEU A 11 0.110 15.977 -13.379 1.00 31.10 H new ATOM 0 HB2 LEU A 11 -1.227 14.050 -15.258 1.00 40.12 H new ATOM 0 HB3 LEU A 11 -2.232 15.014 -14.193 1.00 40.12 H new ATOM 0 HG LEU A 11 -0.164 16.438 -15.815 1.00 11.43 H new ATOM 0 HD11 LEU A 11 -1.695 16.553 -17.742 1.00 31.34 H new ATOM 0 HD12 LEU A 11 -1.148 14.888 -17.433 1.00 31.34 H new ATOM 0 HD13 LEU A 11 -2.782 15.393 -16.942 1.00 31.34 H new ATOM 0 HD21 LEU A 11 -1.930 18.157 -15.884 1.00 51.11 H new ATOM 0 HD22 LEU A 11 -3.026 17.059 -15.011 1.00 51.11 H new ATOM 0 HD23 LEU A 11 -1.554 17.665 -14.215 1.00 51.11 H new ATOM 194 N PHE A 12 -1.353 13.135 -12.556 1.00 34.44 N ATOM 195 CA PHE A 12 -1.896 12.379 -11.434 1.00 34.14 C ATOM 196 C PHE A 12 -0.796 12.010 -10.443 1.00 73.00 C ATOM 197 O PHE A 12 -1.058 11.785 -9.262 1.00 51.43 O ATOM 198 CB PHE A 12 -2.592 11.110 -11.934 1.00 71.42 C ATOM 199 CG PHE A 12 -4.070 11.095 -11.671 1.00 53.41 C ATOM 200 CD1 PHE A 12 -4.966 10.802 -12.687 1.00 41.15 C ATOM 201 CD2 PHE A 12 -4.566 11.373 -10.407 1.00 21.41 C ATOM 202 CE1 PHE A 12 -6.327 10.787 -12.449 1.00 23.13 C ATOM 203 CE2 PHE A 12 -5.925 11.359 -10.162 1.00 15.23 C ATOM 204 CZ PHE A 12 -6.808 11.066 -11.184 1.00 2.05 C ATOM 0 H PHE A 12 -1.536 12.722 -13.471 1.00 34.44 H new ATOM 0 HA PHE A 12 -2.625 13.009 -10.924 1.00 34.14 H new ATOM 0 HB2 PHE A 12 -2.421 11.009 -13.006 1.00 71.42 H new ATOM 0 HB3 PHE A 12 -2.137 10.243 -11.455 1.00 71.42 H new ATOM 0 HD1 PHE A 12 -4.596 10.583 -13.677 1.00 41.15 H new ATOM 0 HD2 PHE A 12 -3.881 11.603 -9.604 1.00 21.41 H new ATOM 0 HE1 PHE A 12 -7.014 10.558 -13.250 1.00 23.13 H new ATOM 0 HE2 PHE A 12 -6.298 11.577 -9.172 1.00 15.23 H new ATOM 0 HZ PHE A 12 -7.871 11.055 -10.994 1.00 2.05 H new ATOM 214 N GLY A 13 0.438 11.950 -10.934 1.00 63.41 N ATOM 215 CA GLY A 13 1.560 11.609 -10.079 1.00 32.52 C ATOM 216 C GLY A 13 1.926 12.730 -9.126 1.00 12.33 C ATOM 217 O GLY A 13 1.489 12.743 -7.975 1.00 31.51 O ATOM 0 H GLY A 13 0.681 12.131 -11.908 1.00 63.41 H new ATOM 0 HA2 GLY A 13 1.317 10.714 -9.506 1.00 32.52 H new ATOM 0 HA3 GLY A 13 2.424 11.366 -10.698 1.00 32.52 H new ATOM 221 N LYS A 14 2.731 13.672 -9.605 1.00 70.30 N ATOM 222 CA LYS A 14 3.157 14.803 -8.788 1.00 55.34 C ATOM 223 C LYS A 14 2.366 16.058 -9.143 1.00 54.21 C ATOM 224 O LYS A 14 2.304 17.006 -8.362 1.00 62.03 O ATOM 225 CB LYS A 14 4.653 15.060 -8.977 1.00 11.03 C ATOM 226 CG LYS A 14 5.013 15.574 -10.359 1.00 74.41 C ATOM 227 CD LYS A 14 6.403 15.125 -10.777 1.00 65.41 C ATOM 228 CE LYS A 14 7.189 16.264 -11.413 1.00 12.31 C ATOM 229 NZ LYS A 14 8.623 15.911 -11.600 1.00 15.21 N ATOM 0 H LYS A 14 3.102 13.675 -10.555 1.00 70.30 H new ATOM 0 HA LYS A 14 2.966 14.557 -7.743 1.00 55.34 H new ATOM 0 HB2 LYS A 14 4.986 15.783 -8.232 1.00 11.03 H new ATOM 0 HB3 LYS A 14 5.198 14.135 -8.789 1.00 11.03 H new ATOM 0 HG2 LYS A 14 4.281 15.216 -11.083 1.00 74.41 H new ATOM 0 HG3 LYS A 14 4.964 16.663 -10.367 1.00 74.41 H new ATOM 0 HD2 LYS A 14 6.943 14.750 -9.907 1.00 65.41 H new ATOM 0 HD3 LYS A 14 6.323 14.298 -11.483 1.00 65.41 H new ATOM 0 HE2 LYS A 14 6.748 16.515 -12.378 1.00 12.31 H new ATOM 0 HE3 LYS A 14 7.112 17.153 -10.786 1.00 12.31 H new ATOM 0 HZ1 LYS A 14 9.124 16.712 -12.035 1.00 15.21 H new ATOM 0 HZ2 LYS A 14 9.051 15.696 -10.677 1.00 15.21 H new ATOM 0 HZ3 LYS A 14 8.698 15.078 -12.219 1.00 15.21 H new ATOM 243 N GLY A 15 1.762 16.057 -10.328 1.00 14.41 N ATOM 244 CA GLY A 15 0.982 17.200 -10.765 1.00 5.11 C ATOM 245 C GLY A 15 -0.204 17.472 -9.861 1.00 73.13 C ATOM 246 O GLY A 15 -0.738 18.581 -9.842 1.00 34.33 O ATOM 0 H GLY A 15 1.799 15.285 -10.993 1.00 14.41 H new ATOM 0 HA2 GLY A 15 1.622 18.082 -10.796 1.00 5.11 H new ATOM 0 HA3 GLY A 15 0.628 17.027 -11.781 1.00 5.11 H new ATOM 250 N GLY A 16 -0.620 16.456 -9.111 1.00 64.21 N ATOM 251 CA GLY A 16 -1.750 16.611 -8.213 1.00 34.31 C ATOM 252 C GLY A 16 -1.337 17.115 -6.844 1.00 14.54 C ATOM 253 O GLY A 16 -0.974 18.279 -6.686 1.00 31.33 O ATOM 0 H GLY A 16 -0.195 15.529 -9.109 1.00 64.21 H new ATOM 0 HA2 GLY A 16 -2.466 17.306 -8.652 1.00 34.31 H new ATOM 0 HA3 GLY A 16 -2.259 15.653 -8.106 1.00 34.31 H new TER 257 GLY A 16 ATOM 258 N LYS B 1 -9.232 12.348 -9.425 1.00 32.33 N ATOM 259 CA LYS B 1 -9.437 11.282 -8.451 1.00 62.11 C ATOM 260 C LYS B 1 -8.720 10.006 -8.881 1.00 61.14 C ATOM 261 O LYS B 1 -9.047 9.417 -9.911 1.00 60.33 O ATOM 262 CB LYS B 1 -10.931 11.006 -8.274 1.00 41.31 C ATOM 263 CG LYS B 1 -11.498 11.540 -6.970 1.00 50.13 C ATOM 264 CD LYS B 1 -13.001 11.330 -6.888 1.00 50.30 C ATOM 265 CE LYS B 1 -13.587 11.977 -5.643 1.00 42.51 C ATOM 266 NZ LYS B 1 -13.653 11.025 -4.500 1.00 71.22 N ATOM 0 H1 LYS B 1 -9.339 13.271 -8.957 1.00 32.33 H new ATOM 0 H2 LYS B 1 -8.276 12.272 -9.827 1.00 32.33 H new ATOM 0 H3 LYS B 1 -9.935 12.262 -10.186 1.00 32.33 H new ATOM 0 HA LYS B 1 -9.019 11.609 -7.499 1.00 62.11 H new ATOM 0 HB2 LYS B 1 -11.475 11.452 -9.107 1.00 41.31 H new ATOM 0 HB3 LYS B 1 -11.101 9.930 -8.321 1.00 41.31 H new ATOM 0 HG2 LYS B 1 -11.014 11.041 -6.130 1.00 50.13 H new ATOM 0 HG3 LYS B 1 -11.273 12.603 -6.882 1.00 50.13 H new ATOM 0 HD2 LYS B 1 -13.477 11.748 -7.775 1.00 50.30 H new ATOM 0 HD3 LYS B 1 -13.220 10.262 -6.882 1.00 50.30 H new ATOM 0 HE2 LYS B 1 -12.981 12.839 -5.363 1.00 42.51 H new ATOM 0 HE3 LYS B 1 -14.588 12.349 -5.864 1.00 42.51 H new ATOM 0 HZ1 LYS B 1 -14.058 11.505 -3.671 1.00 71.22 H new ATOM 0 HZ2 LYS B 1 -14.252 10.214 -4.757 1.00 71.22 H new ATOM 0 HZ3 LYS B 1 -12.695 10.690 -4.272 1.00 71.22 H new ATOM 280 N TYR B 2 -7.744 9.585 -8.085 1.00 10.12 N ATOM 281 CA TYR B 2 -6.981 8.378 -8.384 1.00 62.33 C ATOM 282 C TYR B 2 -7.543 7.177 -7.630 1.00 64.53 C ATOM 283 O TYR B 2 -6.808 6.456 -6.955 1.00 72.32 O ATOM 284 CB TYR B 2 -5.508 8.578 -8.023 1.00 43.35 C ATOM 285 CG TYR B 2 -5.299 9.274 -6.697 1.00 13.30 C ATOM 286 CD1 TYR B 2 -5.241 8.548 -5.512 1.00 40.05 C ATOM 287 CD2 TYR B 2 -5.160 10.654 -6.627 1.00 45.02 C ATOM 288 CE1 TYR B 2 -5.051 9.179 -4.298 1.00 13.53 C ATOM 289 CE2 TYR B 2 -4.968 11.292 -5.417 1.00 3.41 C ATOM 290 CZ TYR B 2 -4.915 10.550 -4.256 1.00 24.32 C ATOM 291 OH TYR B 2 -4.725 11.182 -3.048 1.00 62.24 O ATOM 0 H TYR B 2 -7.462 10.061 -7.228 1.00 10.12 H new ATOM 0 HA TYR B 2 -7.063 8.183 -9.453 1.00 62.33 H new ATOM 0 HB2 TYR B 2 -5.014 7.607 -7.996 1.00 43.35 H new ATOM 0 HB3 TYR B 2 -5.026 9.159 -8.809 1.00 43.35 H new ATOM 0 HD1 TYR B 2 -5.346 7.474 -5.542 1.00 40.05 H new ATOM 0 HD2 TYR B 2 -5.203 11.238 -7.534 1.00 45.02 H new ATOM 0 HE1 TYR B 2 -5.009 8.601 -3.387 1.00 13.53 H new ATOM 0 HE2 TYR B 2 -4.860 12.366 -5.380 1.00 3.41 H new ATOM 0 HH TYR B 2 -4.647 12.148 -3.193 1.00 62.24 H new ATOM 301 N GLU B 3 -8.851 6.970 -7.750 1.00 24.51 N ATOM 302 CA GLU B 3 -9.511 5.857 -7.079 1.00 35.22 C ATOM 303 C GLU B 3 -10.181 4.933 -8.092 1.00 13.44 C ATOM 304 O GLU B 3 -10.866 3.979 -7.719 1.00 24.01 O ATOM 305 CB GLU B 3 -10.548 6.376 -6.081 1.00 14.12 C ATOM 306 CG GLU B 3 -9.990 6.600 -4.686 1.00 65.40 C ATOM 307 CD GLU B 3 -10.983 7.281 -3.763 1.00 52.10 C ATOM 308 OE1 GLU B 3 -10.677 8.390 -3.278 1.00 12.31 O ATOM 309 OE2 GLU B 3 -12.065 6.704 -3.527 1.00 44.20 O ATOM 0 H GLU B 3 -9.473 7.558 -8.305 1.00 24.51 H new ATOM 0 HA GLU B 3 -8.753 5.289 -6.540 1.00 35.22 H new ATOM 0 HB2 GLU B 3 -10.961 7.314 -6.453 1.00 14.12 H new ATOM 0 HB3 GLU B 3 -11.372 5.665 -6.024 1.00 14.12 H new ATOM 0 HG2 GLU B 3 -9.699 5.641 -4.257 1.00 65.40 H new ATOM 0 HG3 GLU B 3 -9.087 7.206 -4.753 1.00 65.40 H new ATOM 316 N ILE B 4 -9.981 5.222 -9.373 1.00 21.34 N ATOM 317 CA ILE B 4 -10.565 4.418 -10.438 1.00 33.13 C ATOM 318 C ILE B 4 -9.483 3.824 -11.335 1.00 41.41 C ATOM 319 O ILE B 4 -9.575 2.670 -11.756 1.00 20.24 O ATOM 320 CB ILE B 4 -11.534 5.246 -11.302 1.00 21.11 C ATOM 321 CG1 ILE B 4 -12.589 5.919 -10.421 1.00 23.23 C ATOM 322 CG2 ILE B 4 -12.196 4.363 -12.350 1.00 44.03 C ATOM 323 CD1 ILE B 4 -12.417 7.418 -10.312 1.00 53.54 C ATOM 0 H ILE B 4 -9.418 6.008 -9.698 1.00 21.34 H new ATOM 0 HA ILE B 4 -11.119 3.612 -9.957 1.00 33.13 H new ATOM 0 HB ILE B 4 -10.967 6.023 -11.815 1.00 21.11 H new ATOM 0 HG12 ILE B 4 -13.579 5.703 -10.824 1.00 23.23 H new ATOM 0 HG13 ILE B 4 -12.549 5.483 -9.423 1.00 23.23 H new ATOM 0 HG21 ILE B 4 -12.878 4.963 -12.953 1.00 44.03 H new ATOM 0 HG22 ILE B 4 -11.432 3.926 -12.993 1.00 44.03 H new ATOM 0 HG23 ILE B 4 -12.753 3.567 -11.856 1.00 44.03 H new ATOM 0 HD11 ILE B 4 -13.199 7.828 -9.673 1.00 53.54 H new ATOM 0 HD12 ILE B 4 -11.441 7.642 -9.881 1.00 53.54 H new ATOM 0 HD13 ILE B 4 -12.487 7.865 -11.304 1.00 53.54 H new ATOM 335 N THR B 5 -8.458 4.620 -11.622 1.00 35.14 N ATOM 336 CA THR B 5 -7.358 4.173 -12.468 1.00 22.04 C ATOM 337 C THR B 5 -6.187 3.674 -11.629 1.00 10.52 C ATOM 338 O THR B 5 -5.182 3.202 -12.163 1.00 45.52 O ATOM 339 CB THR B 5 -6.867 5.301 -13.394 1.00 45.42 C ATOM 340 OG1 THR B 5 -7.758 6.420 -13.316 1.00 75.40 O ATOM 341 CG2 THR B 5 -6.775 4.819 -14.833 1.00 33.00 C ATOM 0 H THR B 5 -8.366 5.577 -11.281 1.00 35.14 H new ATOM 0 HA THR B 5 -7.741 3.354 -13.077 1.00 22.04 H new ATOM 0 HB THR B 5 -5.873 5.604 -13.066 1.00 45.42 H new ATOM 0 HG1 THR B 5 -7.439 7.134 -13.906 1.00 75.40 H new ATOM 0 HG21 THR B 5 -6.426 5.633 -15.468 1.00 33.00 H new ATOM 0 HG22 THR B 5 -6.075 3.986 -14.894 1.00 33.00 H new ATOM 0 HG23 THR B 5 -7.758 4.492 -15.171 1.00 33.00 H new ATOM 349 N THR B 6 -6.322 3.780 -10.311 1.00 3.45 N ATOM 350 CA THR B 6 -5.275 3.339 -9.397 1.00 71.11 C ATOM 351 C THR B 6 -5.786 2.256 -8.454 1.00 55.13 C ATOM 352 O THR B 6 -5.003 1.504 -7.875 1.00 24.42 O ATOM 353 CB THR B 6 -4.727 4.513 -8.562 1.00 60.13 C ATOM 354 OG1 THR B 6 -3.329 4.685 -8.818 1.00 42.24 O ATOM 355 CG2 THR B 6 -4.951 4.272 -7.077 1.00 31.12 C ATOM 0 H THR B 6 -7.146 4.168 -9.852 1.00 3.45 H new ATOM 0 HA THR B 6 -4.472 2.932 -10.011 1.00 71.11 H new ATOM 0 HB THR B 6 -5.262 5.417 -8.851 1.00 60.13 H new ATOM 0 HG1 THR B 6 -2.882 4.989 -8.001 1.00 42.24 H new ATOM 0 HG21 THR B 6 -4.556 5.114 -6.508 1.00 31.12 H new ATOM 0 HG22 THR B 6 -6.019 4.171 -6.882 1.00 31.12 H new ATOM 0 HG23 THR B 6 -4.439 3.358 -6.775 1.00 31.12 H new ATOM 363 N ILE B 7 -7.105 2.181 -8.307 1.00 22.31 N ATOM 364 CA ILE B 7 -7.720 1.187 -7.435 1.00 75.25 C ATOM 365 C ILE B 7 -7.430 -0.227 -7.925 1.00 51.30 C ATOM 366 O ILE B 7 -7.193 -1.136 -7.128 1.00 64.54 O ATOM 367 CB ILE B 7 -9.245 1.385 -7.346 1.00 25.45 C ATOM 368 CG1 ILE B 7 -9.882 0.250 -6.541 1.00 70.55 C ATOM 369 CG2 ILE B 7 -9.852 1.460 -8.738 1.00 53.35 C ATOM 370 CD1 ILE B 7 -10.392 -0.886 -7.399 1.00 23.25 C ATOM 0 H ILE B 7 -7.768 2.796 -8.780 1.00 22.31 H new ATOM 0 HA ILE B 7 -7.285 1.322 -6.445 1.00 75.25 H new ATOM 0 HB ILE B 7 -9.445 2.326 -6.833 1.00 25.45 H new ATOM 0 HG12 ILE B 7 -9.149 -0.140 -5.835 1.00 70.55 H new ATOM 0 HG13 ILE B 7 -10.708 0.651 -5.954 1.00 70.55 H new ATOM 0 HG21 ILE B 7 -10.930 1.600 -8.658 1.00 53.35 H new ATOM 0 HG22 ILE B 7 -9.416 2.299 -9.280 1.00 53.35 H new ATOM 0 HG23 ILE B 7 -9.645 0.534 -9.275 1.00 53.35 H new ATOM 0 HD11 ILE B 7 -10.830 -1.654 -6.762 1.00 23.25 H new ATOM 0 HD12 ILE B 7 -11.149 -0.510 -8.088 1.00 23.25 H new ATOM 0 HD13 ILE B 7 -9.565 -1.313 -7.966 1.00 23.25 H new ATOM 382 N HIS B 8 -7.450 -0.408 -9.242 1.00 72.32 N ATOM 383 CA HIS B 8 -7.187 -1.713 -9.839 1.00 61.12 C ATOM 384 C HIS B 8 -5.765 -2.172 -9.533 1.00 15.55 C ATOM 385 O HIS B 8 -5.442 -3.353 -9.667 1.00 23.31 O ATOM 386 CB HIS B 8 -7.404 -1.658 -11.352 1.00 4.34 C ATOM 387 CG HIS B 8 -8.772 -2.095 -11.776 1.00 62.33 C ATOM 388 ND1 HIS B 8 -9.178 -3.413 -11.769 1.00 4.01 N ATOM 389 CD2 HIS B 8 -9.831 -1.380 -12.222 1.00 50.22 C ATOM 390 CE1 HIS B 8 -10.427 -3.489 -12.193 1.00 4.34 C ATOM 391 NE2 HIS B 8 -10.847 -2.269 -12.474 1.00 72.22 N ATOM 0 H HIS B 8 -7.646 0.332 -9.916 1.00 72.32 H new ATOM 0 HA HIS B 8 -7.883 -2.431 -9.406 1.00 61.12 H new ATOM 0 HB2 HIS B 8 -7.233 -0.639 -11.699 1.00 4.34 H new ATOM 0 HB3 HIS B 8 -6.662 -2.289 -11.841 1.00 4.34 H new ATOM 0 HD2 HIS B 8 -9.870 -0.309 -12.355 1.00 50.22 H new ATOM 0 HE1 HIS B 8 -11.006 -4.395 -12.293 1.00 4.34 H new ATOM 0 HE2 HIS B 8 -11.775 -2.026 -12.822 1.00 72.22 H new ATOM 399 N ASN B 9 -4.919 -1.233 -9.124 1.00 25.15 N ATOM 400 CA ASN B 9 -3.531 -1.543 -8.800 1.00 64.21 C ATOM 401 C ASN B 9 -3.440 -2.356 -7.513 1.00 14.33 C ATOM 402 O ASN B 9 -2.380 -2.879 -7.169 1.00 33.23 O ATOM 403 CB ASN B 9 -2.719 -0.254 -8.660 1.00 64.23 C ATOM 404 CG ASN B 9 -2.330 0.031 -7.222 1.00 62.52 C ATOM 405 OD1 ASN B 9 -3.152 0.480 -6.423 1.00 72.33 O ATOM 406 ND2 ASN B 9 -1.071 -0.227 -6.888 1.00 11.12 N ATOM 0 H ASN B 9 -5.170 -0.251 -9.009 1.00 25.15 H new ATOM 0 HA ASN B 9 -3.119 -2.139 -9.614 1.00 64.21 H new ATOM 0 HB2 ASN B 9 -1.818 -0.327 -9.269 1.00 64.23 H new ATOM 0 HB3 ASN B 9 -3.300 0.582 -9.049 1.00 64.23 H new ATOM 0 HD21 ASN B 9 -0.750 -0.053 -5.935 1.00 11.12 H new ATOM 0 HD22 ASN B 9 -0.425 -0.599 -7.584 1.00 11.12 H new ATOM 413 N LEU B 10 -4.560 -2.459 -6.805 1.00 34.14 N ATOM 414 CA LEU B 10 -4.608 -3.210 -5.556 1.00 1.45 C ATOM 415 C LEU B 10 -4.606 -4.713 -5.822 1.00 45.33 C ATOM 416 O LEU B 10 -4.539 -5.517 -4.893 1.00 14.15 O ATOM 417 CB LEU B 10 -5.853 -2.825 -4.753 1.00 71.24 C ATOM 418 CG LEU B 10 -7.147 -3.544 -5.135 1.00 33.22 C ATOM 419 CD1 LEU B 10 -7.308 -4.819 -4.323 1.00 11.40 C ATOM 420 CD2 LEU B 10 -8.345 -2.627 -4.936 1.00 1.13 C ATOM 0 H LEU B 10 -5.446 -2.032 -7.075 1.00 34.14 H new ATOM 0 HA LEU B 10 -3.718 -2.961 -4.978 1.00 1.45 H new ATOM 0 HB2 LEU B 10 -5.653 -3.014 -3.698 1.00 71.24 H new ATOM 0 HB3 LEU B 10 -6.012 -1.752 -4.860 1.00 71.24 H new ATOM 0 HG LEU B 10 -7.093 -3.814 -6.190 1.00 33.22 H new ATOM 0 HD11 LEU B 10 -8.234 -5.317 -4.608 1.00 11.40 H new ATOM 0 HD12 LEU B 10 -6.465 -5.482 -4.516 1.00 11.40 H new ATOM 0 HD13 LEU B 10 -7.340 -4.573 -3.262 1.00 11.40 H new ATOM 0 HD21 LEU B 10 -9.257 -3.155 -5.213 1.00 1.13 H new ATOM 0 HD22 LEU B 10 -8.403 -2.326 -3.890 1.00 1.13 H new ATOM 0 HD23 LEU B 10 -8.234 -1.742 -5.563 1.00 1.13 H new ATOM 432 N PHE B 11 -4.680 -5.082 -7.096 1.00 1.33 N ATOM 433 CA PHE B 11 -4.686 -6.488 -7.485 1.00 23.31 C ATOM 434 C PHE B 11 -3.301 -7.104 -7.314 1.00 33.14 C ATOM 435 O PHE B 11 -2.609 -7.386 -8.293 1.00 71.14 O ATOM 436 CB PHE B 11 -5.146 -6.634 -8.937 1.00 31.12 C ATOM 437 CG PHE B 11 -6.547 -7.159 -9.070 1.00 72.14 C ATOM 438 CD1 PHE B 11 -7.531 -6.779 -8.173 1.00 51.51 C ATOM 439 CD2 PHE B 11 -6.879 -8.033 -10.094 1.00 50.34 C ATOM 440 CE1 PHE B 11 -8.823 -7.260 -8.293 1.00 74.32 C ATOM 441 CE2 PHE B 11 -8.167 -8.516 -10.220 1.00 51.33 C ATOM 442 CZ PHE B 11 -9.140 -8.130 -9.318 1.00 74.34 C ATOM 0 H PHE B 11 -4.737 -4.428 -7.877 1.00 1.33 H new ATOM 0 HA PHE B 11 -5.383 -7.017 -6.835 1.00 23.31 H new ATOM 0 HB2 PHE B 11 -5.081 -5.664 -9.430 1.00 31.12 H new ATOM 0 HB3 PHE B 11 -4.464 -7.304 -9.461 1.00 31.12 H new ATOM 0 HD1 PHE B 11 -7.287 -6.099 -7.370 1.00 51.51 H new ATOM 0 HD2 PHE B 11 -6.122 -8.340 -10.801 1.00 50.34 H new ATOM 0 HE1 PHE B 11 -9.582 -6.956 -7.587 1.00 74.32 H new ATOM 0 HE2 PHE B 11 -8.413 -9.195 -11.023 1.00 51.33 H new ATOM 0 HZ PHE B 11 -10.147 -8.508 -9.414 1.00 74.34 H new ATOM 452 N ARG B 12 -2.902 -7.312 -6.063 1.00 22.34 N ATOM 453 CA ARG B 12 -1.600 -7.894 -5.762 1.00 34.33 C ATOM 454 C ARG B 12 -1.398 -9.199 -6.527 1.00 73.52 C ATOM 455 O ARG B 12 -0.279 -9.540 -6.910 1.00 31.04 O ATOM 456 CB ARG B 12 -1.463 -8.145 -4.260 1.00 51.41 C ATOM 457 CG ARG B 12 -2.463 -9.153 -3.717 1.00 72.01 C ATOM 458 CD ARG B 12 -1.851 -10.540 -3.607 1.00 12.03 C ATOM 459 NE ARG B 12 -1.489 -10.871 -2.231 1.00 51.21 N ATOM 460 CZ ARG B 12 -0.703 -11.890 -1.903 1.00 14.15 C ATOM 461 NH1 ARG B 12 -0.200 -12.674 -2.846 1.00 14.25 N ATOM 462 NH2 ARG B 12 -0.419 -12.127 -0.628 1.00 14.00 N ATOM 0 H ARG B 12 -3.463 -7.086 -5.241 1.00 22.34 H new ATOM 0 HA ARG B 12 -0.833 -7.186 -6.076 1.00 34.33 H new ATOM 0 HB2 ARG B 12 -0.453 -8.498 -4.050 1.00 51.41 H new ATOM 0 HB3 ARG B 12 -1.587 -7.201 -3.730 1.00 51.41 H new ATOM 0 HG2 ARG B 12 -2.812 -8.829 -2.736 1.00 72.01 H new ATOM 0 HG3 ARG B 12 -3.335 -9.190 -4.370 1.00 72.01 H new ATOM 0 HD2 ARG B 12 -2.558 -11.279 -3.984 1.00 12.03 H new ATOM 0 HD3 ARG B 12 -0.964 -10.596 -4.239 1.00 12.03 H new ATOM 0 HE ARG B 12 -1.860 -10.288 -1.481 1.00 51.21 H new ATOM 0 HH11 ARG B 12 -0.416 -12.495 -3.827 1.00 14.25 H new ATOM 0 HH12 ARG B 12 0.403 -13.456 -2.591 1.00 14.25 H new ATOM 0 HH21 ARG B 12 -0.805 -11.526 0.101 1.00 14.00 H new ATOM 0 HH22 ARG B 12 0.185 -12.910 -0.377 1.00 14.00 H new ATOM 476 N LYS B 13 -2.488 -9.925 -6.745 1.00 14.41 N ATOM 477 CA LYS B 13 -2.433 -11.193 -7.465 1.00 44.02 C ATOM 478 C LYS B 13 -1.942 -10.987 -8.894 1.00 44.42 C ATOM 479 O LYS B 13 -1.258 -11.843 -9.456 1.00 12.23 O ATOM 480 CB LYS B 13 -3.813 -11.855 -7.479 1.00 12.30 C ATOM 481 CG LYS B 13 -3.762 -13.368 -7.364 1.00 54.10 C ATOM 482 CD LYS B 13 -4.956 -14.020 -8.042 1.00 61.45 C ATOM 483 CE LYS B 13 -5.434 -15.244 -7.276 1.00 21.31 C ATOM 484 NZ LYS B 13 -5.186 -16.503 -8.032 1.00 51.43 N ATOM 0 H LYS B 13 -3.422 -9.658 -6.433 1.00 14.41 H new ATOM 0 HA LYS B 13 -1.729 -11.845 -6.948 1.00 44.02 H new ATOM 0 HB2 LYS B 13 -4.407 -11.456 -6.656 1.00 12.30 H new ATOM 0 HB3 LYS B 13 -4.326 -11.586 -8.402 1.00 12.30 H new ATOM 0 HG2 LYS B 13 -2.841 -13.737 -7.814 1.00 54.10 H new ATOM 0 HG3 LYS B 13 -3.739 -13.653 -6.312 1.00 54.10 H new ATOM 0 HD2 LYS B 13 -5.769 -13.299 -8.121 1.00 61.45 H new ATOM 0 HD3 LYS B 13 -4.686 -14.308 -9.058 1.00 61.45 H new ATOM 0 HE2 LYS B 13 -4.925 -15.292 -6.314 1.00 21.31 H new ATOM 0 HE3 LYS B 13 -6.500 -15.149 -7.068 1.00 21.31 H new ATOM 0 HZ1 LYS B 13 -5.526 -17.314 -7.477 1.00 51.43 H new ATOM 0 HZ2 LYS B 13 -5.693 -16.468 -8.940 1.00 51.43 H new ATOM 0 HZ3 LYS B 13 -4.166 -16.607 -8.208 1.00 51.43 H new ATOM 498 N LEU B 14 -2.293 -9.845 -9.477 1.00 4.14 N ATOM 499 CA LEU B 14 -1.885 -9.526 -10.840 1.00 44.31 C ATOM 500 C LEU B 14 -0.716 -8.546 -10.844 1.00 35.00 C ATOM 501 O LEU B 14 0.433 -8.934 -11.058 1.00 3.42 O ATOM 502 CB LEU B 14 -3.062 -8.936 -11.620 1.00 4.24 C ATOM 503 CG LEU B 14 -3.956 -9.941 -12.346 1.00 51.32 C ATOM 504 CD1 LEU B 14 -5.118 -9.230 -13.025 1.00 23.43 C ATOM 505 CD2 LEU B 14 -3.150 -10.736 -13.362 1.00 74.12 C ATOM 0 H LEU B 14 -2.859 -9.126 -9.027 1.00 4.14 H new ATOM 0 HA LEU B 14 -1.563 -10.449 -11.322 1.00 44.31 H new ATOM 0 HB2 LEU B 14 -3.680 -8.363 -10.928 1.00 4.24 H new ATOM 0 HB3 LEU B 14 -2.669 -8.232 -12.354 1.00 4.24 H new ATOM 0 HG LEU B 14 -4.361 -10.635 -11.609 1.00 51.32 H new ATOM 0 HD11 LEU B 14 -5.743 -9.962 -13.537 1.00 23.43 H new ATOM 0 HD12 LEU B 14 -5.712 -8.706 -12.276 1.00 23.43 H new ATOM 0 HD13 LEU B 14 -4.732 -8.513 -13.749 1.00 23.43 H new ATOM 0 HD21 LEU B 14 -3.803 -11.446 -13.869 1.00 74.12 H new ATOM 0 HD22 LEU B 14 -2.716 -10.056 -14.095 1.00 74.12 H new ATOM 0 HD23 LEU B 14 -2.353 -11.276 -12.851 1.00 74.12 H new ATOM 517 N THR B 15 -1.017 -7.273 -10.604 1.00 21.50 N ATOM 518 CA THR B 15 0.009 -6.238 -10.578 1.00 42.23 C ATOM 519 C THR B 15 0.048 -5.536 -9.225 1.00 34.32 C ATOM 520 O THR B 15 -0.936 -4.933 -8.799 1.00 63.33 O ATOM 521 CB THR B 15 -0.226 -5.188 -11.681 1.00 31.52 C ATOM 522 OG1 THR B 15 -1.594 -5.216 -12.101 1.00 71.10 O ATOM 523 CG2 THR B 15 0.683 -5.446 -12.874 1.00 73.14 C ATOM 0 H THR B 15 -1.962 -6.935 -10.425 1.00 21.50 H new ATOM 0 HA THR B 15 0.963 -6.734 -10.755 1.00 42.23 H new ATOM 0 HB THR B 15 0.007 -4.205 -11.273 1.00 31.52 H new ATOM 0 HG1 THR B 15 -2.178 -5.146 -11.317 1.00 71.10 H new ATOM 0 HG21 THR B 15 0.500 -4.693 -13.640 1.00 73.14 H new ATOM 0 HG22 THR B 15 1.724 -5.394 -12.556 1.00 73.14 H new ATOM 0 HG23 THR B 15 0.477 -6.436 -13.281 1.00 73.14 H new ATOM 531 N HIS B 16 1.193 -5.620 -8.554 1.00 70.31 N ATOM 532 CA HIS B 16 1.361 -4.991 -7.249 1.00 22.43 C ATOM 533 C HIS B 16 2.479 -3.954 -7.286 1.00 22.24 C ATOM 534 O HIS B 16 2.595 -3.119 -6.388 1.00 33.11 O ATOM 535 CB HIS B 16 1.663 -6.047 -6.185 1.00 75.22 C ATOM 536 CG HIS B 16 1.097 -5.720 -4.838 1.00 42.33 C ATOM 537 ND1 HIS B 16 1.745 -6.014 -3.658 1.00 24.43 N ATOM 538 CD2 HIS B 16 -0.066 -5.119 -4.488 1.00 34.54 C ATOM 539 CE1 HIS B 16 1.006 -5.610 -2.640 1.00 64.41 C ATOM 540 NE2 HIS B 16 -0.097 -5.063 -3.117 1.00 44.12 N ATOM 0 H HIS B 16 2.017 -6.117 -8.892 1.00 70.31 H new ATOM 0 HA HIS B 16 0.429 -4.486 -6.994 1.00 22.43 H new ATOM 0 HB2 HIS B 16 1.264 -7.007 -6.514 1.00 75.22 H new ATOM 0 HB3 HIS B 16 2.743 -6.164 -6.097 1.00 75.22 H new ATOM 0 HD2 HIS B 16 -0.826 -4.753 -5.162 1.00 34.54 H new ATOM 0 HE1 HIS B 16 1.261 -5.710 -1.595 1.00 64.41 H new ATOM 0 HE2 HIS B 16 -0.850 -4.663 -2.557 1.00 44.12 H new ATOM 548 N ARG B 17 3.302 -4.014 -8.327 1.00 50.15 N ATOM 549 CA ARG B 17 4.412 -3.082 -8.480 1.00 21.34 C ATOM 550 C ARG B 17 4.278 -2.283 -9.772 1.00 70.54 C ATOM 551 O ARG B 17 5.231 -2.165 -10.544 1.00 32.14 O ATOM 552 CB ARG B 17 5.744 -3.835 -8.468 1.00 71.02 C ATOM 553 CG ARG B 17 5.745 -5.082 -9.338 1.00 12.02 C ATOM 554 CD ARG B 17 7.090 -5.286 -10.018 1.00 43.02 C ATOM 555 NE ARG B 17 7.715 -6.546 -9.627 1.00 60.15 N ATOM 556 CZ ARG B 17 7.370 -7.725 -10.132 1.00 33.02 C ATOM 557 NH1 ARG B 17 6.409 -7.805 -11.043 1.00 65.42 N ATOM 558 NH2 ARG B 17 7.986 -8.828 -9.726 1.00 75.22 N ATOM 0 H ARG B 17 3.221 -4.699 -9.078 1.00 50.15 H new ATOM 0 HA ARG B 17 4.388 -2.387 -7.640 1.00 21.34 H new ATOM 0 HB2 ARG B 17 6.534 -3.165 -8.807 1.00 71.02 H new ATOM 0 HB3 ARG B 17 5.983 -4.117 -7.443 1.00 71.02 H new ATOM 0 HG2 ARG B 17 5.509 -5.953 -8.727 1.00 12.02 H new ATOM 0 HG3 ARG B 17 4.963 -5.001 -10.093 1.00 12.02 H new ATOM 0 HD2 ARG B 17 6.956 -5.268 -11.100 1.00 43.02 H new ATOM 0 HD3 ARG B 17 7.753 -4.459 -9.765 1.00 43.02 H new ATOM 0 HE ARG B 17 8.457 -6.520 -8.928 1.00 60.15 H new ATOM 0 HH11 ARG B 17 5.933 -6.960 -11.358 1.00 65.42 H new ATOM 0 HH12 ARG B 17 6.146 -8.712 -11.429 1.00 65.42 H new ATOM 0 HH21 ARG B 17 8.725 -8.771 -9.025 1.00 75.22 H new ATOM 0 HH22 ARG B 17 7.720 -9.733 -10.114 1.00 75.22 H new ATOM 572 N LEU B 18 3.090 -1.735 -10.003 1.00 74.30 N ATOM 573 CA LEU B 18 2.831 -0.947 -11.203 1.00 62.23 C ATOM 574 C LEU B 18 2.322 0.445 -10.841 1.00 14.04 C ATOM 575 O LEU B 18 1.908 1.211 -11.711 1.00 4.43 O ATOM 576 CB LEU B 18 1.812 -1.659 -12.094 1.00 22.31 C ATOM 577 CG LEU B 18 0.340 -1.399 -11.770 1.00 54.32 C ATOM 578 CD1 LEU B 18 -0.560 -2.155 -12.736 1.00 41.04 C ATOM 579 CD2 LEU B 18 0.033 -1.794 -10.333 1.00 15.10 C ATOM 0 H LEU B 18 2.291 -1.822 -9.375 1.00 74.30 H new ATOM 0 HA LEU B 18 3.769 -0.841 -11.748 1.00 62.23 H new ATOM 0 HB2 LEU B 18 1.994 -1.364 -13.127 1.00 22.31 H new ATOM 0 HB3 LEU B 18 1.993 -2.732 -12.033 1.00 22.31 H new ATOM 0 HG LEU B 18 0.145 -0.332 -11.882 1.00 54.32 H new ATOM 0 HD11 LEU B 18 -1.604 -1.958 -12.491 1.00 41.04 H new ATOM 0 HD12 LEU B 18 -0.358 -1.825 -13.755 1.00 41.04 H new ATOM 0 HD13 LEU B 18 -0.364 -3.224 -12.655 1.00 41.04 H new ATOM 0 HD21 LEU B 18 -1.019 -1.602 -10.120 1.00 15.10 H new ATOM 0 HD22 LEU B 18 0.244 -2.854 -10.194 1.00 15.10 H new ATOM 0 HD23 LEU B 18 0.653 -1.209 -9.654 1.00 15.10 H new ATOM 591 N PHE B 19 2.359 0.766 -9.552 1.00 0.30 N ATOM 592 CA PHE B 19 1.903 2.066 -9.074 1.00 72.05 C ATOM 593 C PHE B 19 3.019 2.796 -8.333 1.00 34.05 C ATOM 594 O PHE B 19 3.409 3.901 -8.708 1.00 33.13 O ATOM 595 CB PHE B 19 0.690 1.900 -8.157 1.00 33.22 C ATOM 596 CG PHE B 19 0.178 3.196 -7.599 1.00 1.21 C ATOM 597 CD1 PHE B 19 -0.211 4.223 -8.444 1.00 25.40 C ATOM 598 CD2 PHE B 19 0.084 3.388 -6.230 1.00 62.14 C ATOM 599 CE1 PHE B 19 -0.684 5.419 -7.934 1.00 31.41 C ATOM 600 CE2 PHE B 19 -0.388 4.581 -5.715 1.00 1.13 C ATOM 601 CZ PHE B 19 -0.771 5.597 -6.568 1.00 65.31 C ATOM 0 H PHE B 19 2.700 0.144 -8.820 1.00 0.30 H new ATOM 0 HA PHE B 19 1.616 2.662 -9.940 1.00 72.05 H new ATOM 0 HB2 PHE B 19 -0.111 1.411 -8.712 1.00 33.22 H new ATOM 0 HB3 PHE B 19 0.956 1.239 -7.332 1.00 33.22 H new ATOM 0 HD1 PHE B 19 -0.144 4.088 -9.513 1.00 25.40 H new ATOM 0 HD2 PHE B 19 0.383 2.597 -5.558 1.00 62.14 H new ATOM 0 HE1 PHE B 19 -0.984 6.212 -8.603 1.00 31.41 H new ATOM 0 HE2 PHE B 19 -0.457 4.718 -4.646 1.00 1.13 H new ATOM 0 HZ PHE B 19 -1.138 6.530 -6.167 1.00 65.31 H new ATOM 611 N ARG B 20 3.528 2.169 -7.277 1.00 35.23 N ATOM 612 CA ARG B 20 4.599 2.758 -6.481 1.00 11.32 C ATOM 613 C ARG B 20 5.963 2.266 -6.956 1.00 73.12 C ATOM 614 O ARG B 20 6.978 2.487 -6.296 1.00 45.45 O ATOM 615 CB ARG B 20 4.409 2.417 -5.002 1.00 45.54 C ATOM 616 CG ARG B 20 3.016 2.730 -4.479 1.00 41.35 C ATOM 617 CD ARG B 20 2.246 1.460 -4.153 1.00 50.42 C ATOM 618 NE ARG B 20 2.817 0.751 -3.012 1.00 31.54 N ATOM 619 CZ ARG B 20 2.728 1.182 -1.759 1.00 22.22 C ATOM 620 NH1 ARG B 20 2.093 2.314 -1.487 1.00 2.54 N ATOM 621 NH2 ARG B 20 3.275 0.480 -0.774 1.00 60.31 N ATOM 0 H ARG B 20 3.216 1.254 -6.953 1.00 35.23 H new ATOM 0 HA ARG B 20 4.559 3.840 -6.606 1.00 11.32 H new ATOM 0 HB2 ARG B 20 4.614 1.357 -4.853 1.00 45.54 H new ATOM 0 HB3 ARG B 20 5.142 2.969 -4.413 1.00 45.54 H new ATOM 0 HG2 ARG B 20 3.092 3.350 -3.586 1.00 41.35 H new ATOM 0 HG3 ARG B 20 2.468 3.308 -5.223 1.00 41.35 H new ATOM 0 HD2 ARG B 20 1.207 1.711 -3.941 1.00 50.42 H new ATOM 0 HD3 ARG B 20 2.244 0.804 -5.023 1.00 50.42 H new ATOM 0 HE ARG B 20 3.312 -0.124 -3.187 1.00 31.54 H new ATOM 0 HH11 ARG B 20 1.671 2.856 -2.241 1.00 2.54 H new ATOM 0 HH12 ARG B 20 2.026 2.643 -0.524 1.00 2.54 H new ATOM 0 HH21 ARG B 20 3.764 -0.391 -0.979 1.00 60.31 H new ATOM 0 HH22 ARG B 20 3.206 0.812 0.188 1.00 60.31 H new ATOM 635 N ARG B 21 5.979 1.597 -8.104 1.00 41.13 N ATOM 636 CA ARG B 21 7.217 1.073 -8.667 1.00 25.53 C ATOM 637 C ARG B 21 7.919 2.129 -9.514 1.00 73.44 C ATOM 638 O ARG B 21 9.108 2.391 -9.338 1.00 74.43 O ATOM 639 CB ARG B 21 6.934 -0.170 -9.512 1.00 40.14 C ATOM 640 CG ARG B 21 8.163 -1.024 -9.773 1.00 65.34 C ATOM 641 CD ARG B 21 8.654 -1.698 -8.500 1.00 42.44 C ATOM 642 NE ARG B 21 10.083 -1.490 -8.287 1.00 35.40 N ATOM 643 CZ ARG B 21 10.760 -2.023 -7.276 1.00 61.42 C ATOM 644 NH1 ARG B 21 10.140 -2.791 -6.391 1.00 20.52 N ATOM 645 NH2 ARG B 21 12.060 -1.788 -7.149 1.00 62.31 N ATOM 0 H ARG B 21 5.148 1.405 -8.663 1.00 41.13 H new ATOM 0 HA ARG B 21 7.874 0.799 -7.841 1.00 25.53 H new ATOM 0 HB2 ARG B 21 6.181 -0.777 -9.009 1.00 40.14 H new ATOM 0 HB3 ARG B 21 6.508 0.140 -10.466 1.00 40.14 H new ATOM 0 HG2 ARG B 21 7.929 -1.782 -10.520 1.00 65.34 H new ATOM 0 HG3 ARG B 21 8.958 -0.403 -10.187 1.00 65.34 H new ATOM 0 HD2 ARG B 21 8.100 -1.308 -7.646 1.00 42.44 H new ATOM 0 HD3 ARG B 21 8.447 -2.767 -8.553 1.00 42.44 H new ATOM 0 HE ARG B 21 10.589 -0.904 -8.950 1.00 35.40 H new ATOM 0 HH11 ARG B 21 9.141 -2.974 -6.486 1.00 20.52 H new ATOM 0 HH12 ARG B 21 10.662 -3.199 -5.616 1.00 20.52 H new ATOM 0 HH21 ARG B 21 12.540 -1.198 -7.828 1.00 62.31 H new ATOM 0 HH22 ARG B 21 12.579 -2.198 -6.372 1.00 62.31 H new ATOM 659 N ASN B 22 7.174 2.732 -10.435 1.00 62.21 N ATOM 660 CA ASN B 22 7.726 3.759 -11.312 1.00 5.02 C ATOM 661 C ASN B 22 6.966 5.073 -11.157 1.00 4.55 C ATOM 662 O ASN B 22 7.543 6.154 -11.266 1.00 74.50 O ATOM 663 CB ASN B 22 7.674 3.297 -12.769 1.00 71.20 C ATOM 664 CG ASN B 22 8.990 2.706 -13.236 1.00 22.35 C ATOM 665 OD1 ASN B 22 9.984 3.417 -13.386 1.00 13.42 O ATOM 666 ND2 ASN B 22 9.002 1.398 -13.467 1.00 14.04 N ATOM 0 H ASN B 22 6.187 2.528 -10.593 1.00 62.21 H new ATOM 0 HA ASN B 22 8.765 3.924 -11.027 1.00 5.02 H new ATOM 0 HB2 ASN B 22 6.884 2.554 -12.884 1.00 71.20 H new ATOM 0 HB3 ASN B 22 7.412 4.142 -13.406 1.00 71.20 H new ATOM 0 HD21 ASN B 22 9.859 0.944 -13.782 1.00 14.04 H new ATOM 0 HD22 ASN B 22 8.154 0.848 -13.329 1.00 14.04 H new ATOM 673 N PHE B 23 5.666 4.972 -10.898 1.00 15.24 N ATOM 674 CA PHE B 23 4.826 6.150 -10.727 1.00 2.03 C ATOM 675 C PHE B 23 4.834 6.618 -9.275 1.00 65.12 C ATOM 676 O PHE B 23 4.222 7.629 -8.933 1.00 73.52 O ATOM 677 CB PHE B 23 3.392 5.850 -11.169 1.00 51.02 C ATOM 678 CG PHE B 23 3.309 5.102 -12.469 1.00 22.41 C ATOM 679 CD1 PHE B 23 3.853 5.637 -13.626 1.00 52.12 C ATOM 680 CD2 PHE B 23 2.689 3.865 -12.534 1.00 60.03 C ATOM 681 CE1 PHE B 23 3.778 4.953 -14.824 1.00 33.54 C ATOM 682 CE2 PHE B 23 2.613 3.175 -13.729 1.00 51.40 C ATOM 683 CZ PHE B 23 3.157 3.720 -14.876 1.00 72.42 C ATOM 0 H PHE B 23 5.172 4.085 -10.802 1.00 15.24 H new ATOM 0 HA PHE B 23 5.232 6.947 -11.350 1.00 2.03 H new ATOM 0 HB2 PHE B 23 2.895 5.269 -10.392 1.00 51.02 H new ATOM 0 HB3 PHE B 23 2.846 6.788 -11.264 1.00 51.02 H new ATOM 0 HD1 PHE B 23 4.341 6.600 -13.591 1.00 52.12 H new ATOM 0 HD2 PHE B 23 2.260 3.435 -11.641 1.00 60.03 H new ATOM 0 HE1 PHE B 23 4.204 5.382 -15.719 1.00 33.54 H new ATOM 0 HE2 PHE B 23 2.129 2.210 -13.766 1.00 51.40 H new ATOM 0 HZ PHE B 23 3.097 3.183 -15.811 1.00 72.42 H new ATOM 693 N GLY B 24 5.533 5.874 -8.423 1.00 64.31 N ATOM 694 CA GLY B 24 5.609 6.228 -7.018 1.00 31.11 C ATOM 695 C GLY B 24 6.679 7.265 -6.737 1.00 0.42 C ATOM 696 O GLY B 24 6.528 8.095 -5.841 1.00 21.42 O ATOM 0 H GLY B 24 6.048 5.032 -8.681 1.00 64.31 H new ATOM 0 HA2 GLY B 24 4.642 6.610 -6.690 1.00 31.11 H new ATOM 0 HA3 GLY B 24 5.813 5.332 -6.432 1.00 31.11 H new ATOM 700 N TYR B 25 7.762 7.218 -7.504 1.00 34.05 N ATOM 701 CA TYR B 25 8.863 8.157 -7.331 1.00 21.25 C ATOM 702 C TYR B 25 8.405 9.587 -7.601 1.00 62.45 C ATOM 703 O TYR B 25 9.044 10.548 -7.170 1.00 42.31 O ATOM 704 CB TYR B 25 10.021 7.795 -8.263 1.00 2.11 C ATOM 705 CG TYR B 25 11.305 7.468 -7.533 1.00 12.21 C ATOM 706 CD1 TYR B 25 11.466 6.250 -6.883 1.00 33.20 C ATOM 707 CD2 TYR B 25 12.356 8.376 -7.493 1.00 74.03 C ATOM 708 CE1 TYR B 25 12.636 5.947 -6.216 1.00 20.13 C ATOM 709 CE2 TYR B 25 13.530 8.080 -6.829 1.00 54.12 C ATOM 710 CZ TYR B 25 13.665 6.864 -6.192 1.00 70.33 C ATOM 711 OH TYR B 25 14.833 6.566 -5.528 1.00 22.55 O ATOM 0 H TYR B 25 7.901 6.539 -8.252 1.00 34.05 H new ATOM 0 HA TYR B 25 9.204 8.093 -6.298 1.00 21.25 H new ATOM 0 HB2 TYR B 25 9.732 6.940 -8.873 1.00 2.11 H new ATOM 0 HB3 TYR B 25 10.202 8.626 -8.945 1.00 2.11 H new ATOM 0 HD1 TYR B 25 10.662 5.529 -6.900 1.00 33.20 H new ATOM 0 HD2 TYR B 25 12.253 9.329 -7.990 1.00 74.03 H new ATOM 0 HE1 TYR B 25 12.745 4.996 -5.715 1.00 20.13 H new ATOM 0 HE2 TYR B 25 14.338 8.796 -6.809 1.00 54.12 H new ATOM 0 HH TYR B 25 15.456 7.318 -5.608 1.00 22.55 H new ATOM 721 N THR B 26 7.294 9.721 -8.318 1.00 35.13 N ATOM 722 CA THR B 26 6.750 11.032 -8.648 1.00 24.44 C ATOM 723 C THR B 26 6.562 11.879 -7.395 1.00 44.24 C ATOM 724 O THR B 26 6.709 13.101 -7.432 1.00 24.22 O ATOM 725 CB THR B 26 5.401 10.912 -9.381 1.00 52.40 C ATOM 726 OG1 THR B 26 5.057 12.165 -9.982 1.00 71.24 O ATOM 727 CG2 THR B 26 4.300 10.484 -8.422 1.00 24.32 C ATOM 0 H THR B 26 6.753 8.937 -8.682 1.00 35.13 H new ATOM 0 HA THR B 26 7.470 11.517 -9.307 1.00 24.44 H new ATOM 0 HB THR B 26 5.500 10.153 -10.157 1.00 52.40 H new ATOM 0 HG1 THR B 26 4.525 12.005 -10.789 1.00 71.24 H new ATOM 0 HG21 THR B 26 3.357 10.406 -8.963 1.00 24.32 H new ATOM 0 HG22 THR B 26 4.551 9.516 -7.989 1.00 24.32 H new ATOM 0 HG23 THR B 26 4.202 11.223 -7.627 1.00 24.32 H new ATOM 735 N LEU B 27 6.234 11.224 -6.286 1.00 73.31 N ATOM 736 CA LEU B 27 6.026 11.918 -5.020 1.00 14.21 C ATOM 737 C LEU B 27 7.352 12.153 -4.304 1.00 51.31 C ATOM 738 O LEU B 27 7.517 13.144 -3.593 1.00 4.02 O ATOM 739 CB LEU B 27 5.084 11.112 -4.124 1.00 35.15 C ATOM 740 CG LEU B 27 3.636 10.998 -4.602 1.00 24.33 C ATOM 741 CD1 LEU B 27 3.235 9.538 -4.748 1.00 44.04 C ATOM 742 CD2 LEU B 27 2.700 11.718 -3.641 1.00 14.14 C ATOM 0 H LEU B 27 6.106 10.213 -6.238 1.00 73.31 H new ATOM 0 HA LEU B 27 5.574 12.886 -5.234 1.00 14.21 H new ATOM 0 HB2 LEU B 27 5.490 10.106 -4.016 1.00 35.15 H new ATOM 0 HB3 LEU B 27 5.083 11.564 -3.132 1.00 35.15 H new ATOM 0 HG LEU B 27 3.557 11.474 -5.580 1.00 24.33 H new ATOM 0 HD11 LEU B 27 2.202 9.477 -5.089 1.00 44.04 H new ATOM 0 HD12 LEU B 27 3.886 9.053 -5.475 1.00 44.04 H new ATOM 0 HD13 LEU B 27 3.330 9.037 -3.785 1.00 44.04 H new ATOM 0 HD21 LEU B 27 1.674 11.627 -3.996 1.00 14.14 H new ATOM 0 HD22 LEU B 27 2.782 11.271 -2.650 1.00 14.14 H new ATOM 0 HD23 LEU B 27 2.973 12.772 -3.588 1.00 14.14 H new ATOM 754 N ARG B 28 8.294 11.236 -4.498 1.00 13.01 N ATOM 755 CA ARG B 28 9.606 11.344 -3.871 1.00 71.01 C ATOM 756 C ARG B 28 10.694 11.551 -4.920 1.00 74.21 C ATOM 757 O ARG B 28 11.745 12.125 -4.634 1.00 53.45 O ATOM 758 CB ARG B 28 9.906 10.090 -3.049 1.00 30.25 C ATOM 759 CG ARG B 28 9.942 8.815 -3.874 1.00 13.35 C ATOM 760 CD ARG B 28 10.282 7.605 -3.017 1.00 1.21 C ATOM 761 NE ARG B 28 11.670 7.628 -2.564 1.00 65.13 N ATOM 762 CZ ARG B 28 12.133 6.872 -1.575 1.00 72.50 C ATOM 763 NH1 ARG B 28 11.324 6.037 -0.940 1.00 15.54 N ATOM 764 NH2 ARG B 28 13.410 6.949 -1.221 1.00 33.21 N ATOM 0 H ARG B 28 8.173 10.410 -5.084 1.00 13.01 H new ATOM 0 HA ARG B 28 9.595 12.210 -3.209 1.00 71.01 H new ATOM 0 HB2 ARG B 28 10.866 10.216 -2.548 1.00 30.25 H new ATOM 0 HB3 ARG B 28 9.151 9.987 -2.270 1.00 30.25 H new ATOM 0 HG2 ARG B 28 8.975 8.663 -4.353 1.00 13.35 H new ATOM 0 HG3 ARG B 28 10.679 8.917 -4.670 1.00 13.35 H new ATOM 0 HD2 ARG B 28 9.619 7.575 -2.152 1.00 1.21 H new ATOM 0 HD3 ARG B 28 10.102 6.694 -3.588 1.00 1.21 H new ATOM 0 HE ARG B 28 12.320 8.259 -3.033 1.00 65.13 H new ATOM 0 HH11 ARG B 28 10.343 5.973 -1.210 1.00 15.54 H new ATOM 0 HH12 ARG B 28 11.683 5.458 -0.181 1.00 15.54 H new ATOM 0 HH21 ARG B 28 14.037 7.589 -1.709 1.00 33.21 H new ATOM 0 HH22 ARG B 28 13.765 6.368 -0.461 1.00 33.21 H new TER 778 ARG B 28