USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=10 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+ 142:sc= -0.0438 (180deg=-0.394) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -140:sc= 0.449 (180deg=-0.254!) USER MOD Single : A 9 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 LYS N :NH3+ 180:sc= 0 (180deg=0) 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 -16:sc= 0.953 USER MOD Single : B 6 THR OG1 : rot 180:sc= -0.125 USER MOD Single : B 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 9 ASN : amide:sc= -6.42! C(o=-6.4!,f=-7.2!) USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 THR OG1 : rot 180:sc= 0 USER MOD Single : B 16 HIS : no HE2:sc= 0.11 K(o=0.11,f=-2.1) USER MOD Single : B 22 ASN : amide:sc= -1.71 K(o=-1.7,f=-6.9!) USER MOD Single : B 25 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 THR OG1 : rot 180:sc= 0.132 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 10.281 7.517 -1.588 1.00 3.00 N ATOM 2 CA VAL A 1 9.550 8.769 -1.424 1.00 12.15 C ATOM 3 C VAL A 1 8.234 8.740 -2.193 1.00 41.34 C ATOM 4 O VAL A 1 8.150 8.169 -3.280 1.00 2.22 O ATOM 5 CB VAL A 1 10.385 9.971 -1.901 1.00 65.42 C ATOM 6 CG1 VAL A 1 10.796 9.794 -3.355 1.00 4.31 C ATOM 7 CG2 VAL A 1 9.608 11.266 -1.713 1.00 51.14 C ATOM 0 H1 VAL A 1 11.299 7.716 -1.661 1.00 3.00 H new ATOM 0 H2 VAL A 1 10.107 6.903 -0.767 1.00 3.00 H new ATOM 0 H3 VAL A 1 9.959 7.038 -2.453 1.00 3.00 H new ATOM 0 HA VAL A 1 9.343 8.880 -0.360 1.00 12.15 H new ATOM 0 HB VAL A 1 11.291 10.025 -1.297 1.00 65.42 H new ATOM 0 HG11 VAL A 1 11.385 10.654 -3.674 1.00 4.31 H new ATOM 0 HG12 VAL A 1 11.392 8.887 -3.457 1.00 4.31 H new ATOM 0 HG13 VAL A 1 9.905 9.714 -3.978 1.00 4.31 H new ATOM 0 HG21 VAL A 1 10.213 12.106 -2.055 1.00 51.14 H new ATOM 0 HG22 VAL A 1 8.685 11.224 -2.291 1.00 51.14 H new ATOM 0 HG23 VAL A 1 9.369 11.397 -0.658 1.00 51.14 H new ATOM 17 N ALA A 2 7.207 9.360 -1.619 1.00 21.40 N ATOM 18 CA ALA A 2 5.895 9.408 -2.252 1.00 44.52 C ATOM 19 C ALA A 2 5.871 10.422 -3.391 1.00 22.40 C ATOM 20 O ALA A 2 5.632 11.610 -3.173 1.00 24.24 O ATOM 21 CB ALA A 2 4.826 9.743 -1.223 1.00 42.33 C ATOM 0 H ALA A 2 7.259 9.835 -0.718 1.00 21.40 H new ATOM 0 HA ALA A 2 5.685 8.424 -2.672 1.00 44.52 H new ATOM 0 HB1 ALA A 2 3.851 9.776 -1.709 1.00 42.33 H new ATOM 0 HB2 ALA A 2 4.818 8.980 -0.445 1.00 42.33 H new ATOM 0 HB3 ALA A 2 5.042 10.714 -0.777 1.00 42.33 H new ATOM 27 N ARG A 3 6.120 9.945 -4.606 1.00 45.01 N ATOM 28 CA ARG A 3 6.129 10.811 -5.779 1.00 31.34 C ATOM 29 C ARG A 3 5.061 10.380 -6.781 1.00 4.21 C ATOM 30 O ARG A 3 4.645 11.161 -7.634 1.00 65.14 O ATOM 31 CB ARG A 3 7.506 10.788 -6.446 1.00 5.50 C ATOM 32 CG ARG A 3 8.169 9.421 -6.429 1.00 53.41 C ATOM 33 CD ARG A 3 9.216 9.296 -7.525 1.00 55.33 C ATOM 34 NE ARG A 3 9.286 7.938 -8.061 1.00 65.51 N ATOM 35 CZ ARG A 3 8.387 7.429 -8.895 1.00 64.45 C ATOM 36 NH1 ARG A 3 7.353 8.162 -9.287 1.00 51.51 N ATOM 37 NH2 ARG A 3 8.521 6.187 -9.340 1.00 73.34 N ATOM 0 H ARG A 3 6.318 8.964 -4.804 1.00 45.01 H new ATOM 0 HA ARG A 3 5.908 11.827 -5.451 1.00 31.34 H new ATOM 0 HB2 ARG A 3 7.405 11.121 -7.479 1.00 5.50 H new ATOM 0 HB3 ARG A 3 8.156 11.504 -5.943 1.00 5.50 H new ATOM 0 HG2 ARG A 3 8.635 9.254 -5.458 1.00 53.41 H new ATOM 0 HG3 ARG A 3 7.412 8.647 -6.557 1.00 53.41 H new ATOM 0 HD2 ARG A 3 8.983 9.992 -8.330 1.00 55.33 H new ATOM 0 HD3 ARG A 3 10.191 9.581 -7.130 1.00 55.33 H new ATOM 0 HE ARG A 3 10.069 7.349 -7.779 1.00 65.51 H new ATOM 0 HH11 ARG A 3 7.248 9.118 -8.948 1.00 51.51 H new ATOM 0 HH12 ARG A 3 6.663 7.769 -9.928 1.00 51.51 H new ATOM 0 HH21 ARG A 3 9.316 5.621 -9.042 1.00 73.34 H new ATOM 0 HH22 ARG A 3 7.829 5.797 -9.981 1.00 73.34 H new ATOM 51 N GLY A 4 4.622 9.130 -6.669 1.00 33.52 N ATOM 52 CA GLY A 4 3.607 8.617 -7.571 1.00 12.05 C ATOM 53 C GLY A 4 2.290 9.355 -7.442 1.00 40.24 C ATOM 54 O GLY A 4 1.449 9.300 -8.340 1.00 4.35 O ATOM 0 H GLY A 4 4.951 8.464 -5.970 1.00 33.52 H new ATOM 0 HA2 GLY A 4 3.965 8.695 -8.598 1.00 12.05 H new ATOM 0 HA3 GLY A 4 3.448 7.558 -7.369 1.00 12.05 H new ATOM 58 N TRP A 5 2.109 10.047 -6.322 1.00 73.22 N ATOM 59 CA TRP A 5 0.882 10.798 -6.079 1.00 23.03 C ATOM 60 C TRP A 5 1.186 12.273 -5.843 1.00 24.12 C ATOM 61 O TRP A 5 0.277 13.095 -5.732 1.00 53.04 O ATOM 62 CB TRP A 5 0.137 10.219 -4.875 1.00 71.12 C ATOM 63 CG TRP A 5 0.369 8.751 -4.682 1.00 74.45 C ATOM 64 CD1 TRP A 5 0.190 7.764 -5.610 1.00 44.13 C ATOM 65 CD2 TRP A 5 0.820 8.105 -3.488 1.00 1.13 C ATOM 66 NE1 TRP A 5 0.503 6.543 -5.063 1.00 51.31 N ATOM 67 CE2 TRP A 5 0.893 6.725 -3.763 1.00 2.42 C ATOM 68 CE3 TRP A 5 1.171 8.557 -2.213 1.00 14.22 C ATOM 69 CZ2 TRP A 5 1.302 5.797 -2.809 1.00 62.13 C ATOM 70 CZ3 TRP A 5 1.576 7.634 -1.267 1.00 65.31 C ATOM 71 CH2 TRP A 5 1.640 6.267 -1.569 1.00 60.30 C ATOM 0 H TRP A 5 2.795 10.104 -5.569 1.00 73.22 H new ATOM 0 HA TRP A 5 0.251 10.713 -6.964 1.00 23.03 H new ATOM 0 HB2 TRP A 5 0.448 10.750 -3.975 1.00 71.12 H new ATOM 0 HB3 TRP A 5 -0.931 10.398 -4.998 1.00 71.12 H new ATOM 0 HD1 TRP A 5 -0.148 7.921 -6.624 1.00 44.13 H new ATOM 0 HE1 TRP A 5 0.453 5.646 -5.547 1.00 51.31 H new ATOM 0 HE3 TRP A 5 1.127 9.609 -1.971 1.00 14.22 H new ATOM 0 HZ2 TRP A 5 1.351 4.743 -3.040 1.00 62.13 H new ATOM 0 HZ3 TRP A 5 1.848 7.972 -0.278 1.00 65.31 H new ATOM 0 HH2 TRP A 5 1.962 5.571 -0.809 1.00 60.30 H new ATOM 82 N LYS A 6 2.471 12.604 -5.766 1.00 43.40 N ATOM 83 CA LYS A 6 2.895 13.981 -5.545 1.00 1.43 C ATOM 84 C LYS A 6 3.405 14.608 -6.838 1.00 51.22 C ATOM 85 O LYS A 6 3.491 15.830 -6.954 1.00 62.34 O ATOM 86 CB LYS A 6 3.989 14.034 -4.474 1.00 55.03 C ATOM 87 CG LYS A 6 3.449 14.139 -3.058 1.00 64.40 C ATOM 88 CD LYS A 6 2.664 12.899 -2.667 1.00 21.30 C ATOM 89 CE LYS A 6 3.058 12.404 -1.284 1.00 14.22 C ATOM 90 NZ LYS A 6 2.519 13.279 -0.207 1.00 21.10 N ATOM 0 H LYS A 6 3.237 11.936 -5.854 1.00 43.40 H new ATOM 0 HA LYS A 6 2.031 14.550 -5.202 1.00 1.43 H new ATOM 0 HB2 LYS A 6 4.607 13.139 -4.553 1.00 55.03 H new ATOM 0 HB3 LYS A 6 4.638 14.888 -4.671 1.00 55.03 H new ATOM 0 HG2 LYS A 6 4.276 14.282 -2.362 1.00 64.40 H new ATOM 0 HG3 LYS A 6 2.808 15.017 -2.976 1.00 64.40 H new ATOM 0 HD2 LYS A 6 1.597 13.122 -2.685 1.00 21.30 H new ATOM 0 HD3 LYS A 6 2.837 12.111 -3.400 1.00 21.30 H new ATOM 0 HE2 LYS A 6 2.690 11.387 -1.144 1.00 14.22 H new ATOM 0 HE3 LYS A 6 4.145 12.363 -1.209 1.00 14.22 H new ATOM 0 HZ1 LYS A 6 2.810 12.908 0.720 1.00 21.10 H new ATOM 0 HZ2 LYS A 6 2.890 14.244 -0.325 1.00 21.10 H new ATOM 0 HZ3 LYS A 6 1.481 13.298 -0.262 1.00 21.10 H new ATOM 104 N ARG A 7 3.740 13.764 -7.808 1.00 10.20 N ATOM 105 CA ARG A 7 4.241 14.236 -9.092 1.00 73.54 C ATOM 106 C ARG A 7 3.197 14.038 -10.189 1.00 10.01 C ATOM 107 O ARG A 7 3.113 14.827 -11.131 1.00 42.44 O ATOM 108 CB ARG A 7 5.530 13.500 -9.464 1.00 62.23 C ATOM 109 CG ARG A 7 6.020 13.801 -10.871 1.00 41.34 C ATOM 110 CD ARG A 7 6.019 12.554 -11.740 1.00 71.00 C ATOM 111 NE ARG A 7 5.700 12.856 -13.132 1.00 63.21 N ATOM 112 CZ ARG A 7 5.777 11.965 -14.114 1.00 24.13 C ATOM 113 NH1 ARG A 7 6.159 10.722 -13.858 1.00 5.33 N ATOM 114 NH2 ARG A 7 5.470 12.316 -15.357 1.00 45.04 N ATOM 0 H ARG A 7 3.673 12.749 -7.729 1.00 10.20 H new ATOM 0 HA ARG A 7 4.452 15.301 -9.001 1.00 73.54 H new ATOM 0 HB2 ARG A 7 6.310 13.769 -8.752 1.00 62.23 H new ATOM 0 HB3 ARG A 7 5.366 12.427 -9.367 1.00 62.23 H new ATOM 0 HG2 ARG A 7 5.384 14.562 -11.324 1.00 41.34 H new ATOM 0 HG3 ARG A 7 7.028 14.214 -10.826 1.00 41.34 H new ATOM 0 HD2 ARG A 7 6.997 12.076 -11.688 1.00 71.00 H new ATOM 0 HD3 ARG A 7 5.294 11.840 -11.349 1.00 71.00 H new ATOM 0 HE ARG A 7 5.401 13.804 -13.363 1.00 63.21 H new ATOM 0 HH11 ARG A 7 6.395 10.447 -12.904 1.00 5.33 H new ATOM 0 HH12 ARG A 7 6.217 10.040 -14.614 1.00 5.33 H new ATOM 0 HH21 ARG A 7 5.174 13.271 -15.559 1.00 45.04 H new ATOM 0 HH22 ARG A 7 5.530 11.631 -16.110 1.00 45.04 H new ATOM 128 N LYS A 8 2.405 12.980 -10.059 1.00 54.35 N ATOM 129 CA LYS A 8 1.366 12.677 -11.036 1.00 70.45 C ATOM 130 C LYS A 8 0.213 13.672 -10.932 1.00 1.04 C ATOM 131 O LYS A 8 -0.805 13.391 -10.298 1.00 4.23 O ATOM 132 CB LYS A 8 0.844 11.253 -10.833 1.00 63.32 C ATOM 133 CG LYS A 8 1.597 10.209 -11.640 1.00 52.14 C ATOM 134 CD LYS A 8 3.027 10.051 -11.152 1.00 64.32 C ATOM 135 CE LYS A 8 3.865 9.246 -12.134 1.00 43.42 C ATOM 136 NZ LYS A 8 3.278 7.903 -12.392 1.00 13.22 N ATOM 0 H LYS A 8 2.463 12.317 -9.286 1.00 54.35 H new ATOM 0 HA LYS A 8 1.804 12.758 -12.031 1.00 70.45 H new ATOM 0 HB2 LYS A 8 0.909 10.999 -9.775 1.00 63.32 H new ATOM 0 HB3 LYS A 8 -0.211 11.219 -11.105 1.00 63.32 H new ATOM 0 HG2 LYS A 8 1.080 9.252 -11.570 1.00 52.14 H new ATOM 0 HG3 LYS A 8 1.600 10.494 -12.692 1.00 52.14 H new ATOM 0 HD2 LYS A 8 3.475 11.035 -11.010 1.00 64.32 H new ATOM 0 HD3 LYS A 8 3.029 9.557 -10.180 1.00 64.32 H new ATOM 0 HE2 LYS A 8 3.949 9.792 -13.073 1.00 43.42 H new ATOM 0 HE3 LYS A 8 4.875 9.131 -11.741 1.00 43.42 H new ATOM 0 HZ1 LYS A 8 4.039 7.196 -12.443 1.00 13.22 H new ATOM 0 HZ2 LYS A 8 2.626 7.655 -11.621 1.00 13.22 H new ATOM 0 HZ3 LYS A 8 2.759 7.918 -13.293 1.00 13.22 H new ATOM 150 N CYS A 9 0.380 14.832 -11.557 1.00 0.43 N ATOM 151 CA CYS A 9 -0.646 15.867 -11.534 1.00 52.23 C ATOM 152 C CYS A 9 -1.814 15.495 -12.442 1.00 63.21 C ATOM 153 O CYS A 9 -2.955 15.353 -12.002 1.00 61.23 O ATOM 154 CB CYS A 9 -0.055 17.210 -11.965 1.00 74.45 C ATOM 155 SG CYS A 9 -0.091 18.480 -10.680 1.00 4.55 S ATOM 0 H CYS A 9 1.216 15.079 -12.086 1.00 0.43 H new ATOM 0 HA CYS A 9 -1.017 15.954 -10.513 1.00 52.23 H new ATOM 0 HB2 CYS A 9 0.977 17.056 -12.280 1.00 74.45 H new ATOM 0 HB3 CYS A 9 -0.602 17.573 -12.835 1.00 74.45 H new ATOM 0 HG CYS A 9 0.432 19.578 -11.140 1.00 4.55 H new ATOM 161 N PRO A 10 -1.525 15.337 -13.742 1.00 32.41 N ATOM 162 CA PRO A 10 -2.538 14.981 -14.741 1.00 31.42 C ATOM 163 C PRO A 10 -3.036 13.550 -14.576 1.00 33.01 C ATOM 164 O PRO A 10 -4.084 13.181 -15.109 1.00 23.53 O ATOM 165 CB PRO A 10 -1.795 15.139 -16.071 1.00 43.53 C ATOM 166 CG PRO A 10 -0.359 14.945 -15.728 1.00 51.33 C ATOM 167 CD PRO A 10 -0.187 15.492 -14.338 1.00 32.44 C ATOM 0 HA PRO A 10 -3.429 15.603 -14.658 1.00 31.42 H new ATOM 0 HB2 PRO A 10 -2.130 14.403 -16.802 1.00 43.53 H new ATOM 0 HB3 PRO A 10 -1.968 16.123 -16.507 1.00 43.53 H new ATOM 0 HG2 PRO A 10 -0.087 13.890 -15.769 1.00 51.33 H new ATOM 0 HG3 PRO A 10 0.285 15.467 -16.435 1.00 51.33 H new ATOM 0 HD2 PRO A 10 0.568 14.939 -13.779 1.00 32.44 H new ATOM 0 HD3 PRO A 10 0.128 16.535 -14.353 1.00 32.44 H new ATOM 175 N LEU A 11 -2.281 12.747 -13.835 1.00 34.00 N ATOM 176 CA LEU A 11 -2.648 11.354 -13.599 1.00 25.33 C ATOM 177 C LEU A 11 -3.561 11.230 -12.384 1.00 35.10 C ATOM 178 O LEU A 11 -4.747 10.923 -12.515 1.00 30.54 O ATOM 179 CB LEU A 11 -1.392 10.504 -13.396 1.00 35.41 C ATOM 180 CG LEU A 11 -0.887 9.749 -14.627 1.00 24.02 C ATOM 181 CD1 LEU A 11 0.357 8.944 -14.285 1.00 30.20 C ATOM 182 CD2 LEU A 11 -1.976 8.844 -15.182 1.00 33.14 C ATOM 0 H LEU A 11 -1.411 13.036 -13.387 1.00 34.00 H new ATOM 0 HA LEU A 11 -3.188 10.992 -14.474 1.00 25.33 H new ATOM 0 HB2 LEU A 11 -0.592 11.153 -13.039 1.00 35.41 H new ATOM 0 HB3 LEU A 11 -1.591 9.779 -12.606 1.00 35.41 H new ATOM 0 HG LEU A 11 -0.624 10.477 -15.394 1.00 24.02 H new ATOM 0 HD11 LEU A 11 0.702 8.413 -15.172 1.00 30.20 H new ATOM 0 HD12 LEU A 11 1.141 9.616 -13.936 1.00 30.20 H new ATOM 0 HD13 LEU A 11 0.121 8.224 -13.501 1.00 30.20 H new ATOM 0 HD21 LEU A 11 -1.599 8.315 -16.057 1.00 33.14 H new ATOM 0 HD22 LEU A 11 -2.272 8.122 -14.421 1.00 33.14 H new ATOM 0 HD23 LEU A 11 -2.839 9.446 -15.466 1.00 33.14 H new ATOM 194 N PHE A 12 -3.003 11.472 -11.203 1.00 71.42 N ATOM 195 CA PHE A 12 -3.768 11.389 -9.964 1.00 74.03 C ATOM 196 C PHE A 12 -4.793 12.516 -9.880 1.00 75.51 C ATOM 197 O PHE A 12 -5.718 12.470 -9.071 1.00 12.31 O ATOM 198 CB PHE A 12 -2.831 11.446 -8.756 1.00 33.02 C ATOM 199 CG PHE A 12 -3.550 11.586 -7.446 1.00 4.50 C ATOM 200 CD1 PHE A 12 -3.219 12.602 -6.564 1.00 50.14 C ATOM 201 CD2 PHE A 12 -4.557 10.701 -7.094 1.00 33.22 C ATOM 202 CE1 PHE A 12 -3.881 12.735 -5.357 1.00 2.14 C ATOM 203 CE2 PHE A 12 -5.221 10.829 -5.889 1.00 32.30 C ATOM 204 CZ PHE A 12 -4.881 11.846 -5.019 1.00 54.33 C ATOM 0 H PHE A 12 -2.023 11.727 -11.077 1.00 71.42 H new ATOM 0 HA PHE A 12 -4.300 10.437 -9.958 1.00 74.03 H new ATOM 0 HB2 PHE A 12 -2.225 10.540 -8.734 1.00 33.02 H new ATOM 0 HB3 PHE A 12 -2.146 12.285 -8.877 1.00 33.02 H new ATOM 0 HD1 PHE A 12 -2.435 13.298 -6.822 1.00 50.14 H new ATOM 0 HD2 PHE A 12 -4.826 9.902 -7.769 1.00 33.22 H new ATOM 0 HE1 PHE A 12 -3.616 13.533 -4.680 1.00 2.14 H new ATOM 0 HE2 PHE A 12 -6.005 10.134 -5.628 1.00 32.30 H new ATOM 0 HZ PHE A 12 -5.397 11.946 -4.075 1.00 54.33 H new ATOM 214 N GLY A 13 -4.621 13.529 -10.725 1.00 34.11 N ATOM 215 CA GLY A 13 -5.537 14.654 -10.731 1.00 24.02 C ATOM 216 C GLY A 13 -6.666 14.478 -11.727 1.00 15.42 C ATOM 217 O GLY A 13 -7.504 13.588 -11.575 1.00 35.43 O ATOM 0 H GLY A 13 -3.863 13.590 -11.405 1.00 34.11 H new ATOM 0 HA2 GLY A 13 -5.955 14.784 -9.733 1.00 24.02 H new ATOM 0 HA3 GLY A 13 -4.987 15.565 -10.967 1.00 24.02 H new ATOM 221 N LYS A 14 -6.691 15.327 -12.748 1.00 54.10 N ATOM 222 CA LYS A 14 -7.726 15.263 -13.773 1.00 3.45 C ATOM 223 C LYS A 14 -7.841 13.851 -14.341 1.00 24.44 C ATOM 224 O LYS A 14 -8.916 13.428 -14.762 1.00 54.23 O ATOM 225 CB LYS A 14 -7.420 16.254 -14.898 1.00 15.43 C ATOM 226 CG LYS A 14 -6.061 16.043 -15.542 1.00 2.10 C ATOM 227 CD LYS A 14 -6.149 15.106 -16.735 1.00 34.21 C ATOM 228 CE LYS A 14 -5.733 15.802 -18.022 1.00 0.21 C ATOM 229 NZ LYS A 14 -5.108 14.855 -18.987 1.00 41.14 N ATOM 0 H LYS A 14 -6.005 16.069 -12.888 1.00 54.10 H new ATOM 0 HA LYS A 14 -8.677 15.529 -13.312 1.00 3.45 H new ATOM 0 HB2 LYS A 14 -8.192 16.172 -15.663 1.00 15.43 H new ATOM 0 HB3 LYS A 14 -7.471 17.268 -14.501 1.00 15.43 H new ATOM 0 HG2 LYS A 14 -5.656 17.003 -15.861 1.00 2.10 H new ATOM 0 HG3 LYS A 14 -5.368 15.633 -14.807 1.00 2.10 H new ATOM 0 HD2 LYS A 14 -5.510 14.239 -16.566 1.00 34.21 H new ATOM 0 HD3 LYS A 14 -7.169 14.736 -16.834 1.00 34.21 H new ATOM 0 HE2 LYS A 14 -6.605 16.267 -18.482 1.00 0.21 H new ATOM 0 HE3 LYS A 14 -5.030 16.602 -17.791 1.00 0.21 H new ATOM 0 HZ1 LYS A 14 -4.838 15.367 -19.851 1.00 41.14 H new ATOM 0 HZ2 LYS A 14 -4.261 14.430 -18.558 1.00 41.14 H new ATOM 0 HZ3 LYS A 14 -5.787 14.105 -19.227 1.00 41.14 H new ATOM 243 N GLY A 15 -6.725 13.128 -14.350 1.00 42.31 N ATOM 244 CA GLY A 15 -6.723 11.773 -14.868 1.00 3.54 C ATOM 245 C GLY A 15 -7.797 10.909 -14.235 1.00 60.13 C ATOM 246 O GLY A 15 -8.280 9.959 -14.849 1.00 32.21 O ATOM 0 H GLY A 15 -5.822 13.457 -14.008 1.00 42.31 H new ATOM 0 HA2 GLY A 15 -6.872 11.800 -15.947 1.00 3.54 H new ATOM 0 HA3 GLY A 15 -5.747 11.321 -14.692 1.00 3.54 H new ATOM 250 N GLY A 16 -8.171 11.240 -13.003 1.00 42.33 N ATOM 251 CA GLY A 16 -9.191 10.477 -12.307 1.00 73.34 C ATOM 252 C GLY A 16 -10.595 10.918 -12.672 1.00 33.02 C ATOM 253 O GLY A 16 -11.116 10.546 -13.723 1.00 5.33 O ATOM 0 H GLY A 16 -7.786 12.023 -12.474 1.00 42.33 H new ATOM 0 HA2 GLY A 16 -9.073 9.419 -12.542 1.00 73.34 H new ATOM 0 HA3 GLY A 16 -9.048 10.582 -11.231 1.00 73.34 H new TER 257 GLY A 16 ATOM 258 N LYS B 1 -2.179 10.803 -1.898 1.00 65.13 N ATOM 259 CA LYS B 1 -3.380 9.990 -1.754 1.00 12.01 C ATOM 260 C LYS B 1 -3.431 8.901 -2.821 1.00 10.32 C ATOM 261 O LYS B 1 -3.442 9.190 -4.017 1.00 52.32 O ATOM 262 CB LYS B 1 -4.630 10.869 -1.847 1.00 31.31 C ATOM 263 CG LYS B 1 -5.490 10.839 -0.596 1.00 12.24 C ATOM 264 CD LYS B 1 -6.275 12.129 -0.427 1.00 15.43 C ATOM 265 CE LYS B 1 -7.465 11.940 0.501 1.00 1.52 C ATOM 266 NZ LYS B 1 -8.698 12.574 -0.042 1.00 14.43 N ATOM 0 H1 LYS B 1 -2.166 11.537 -1.161 1.00 65.13 H new ATOM 0 H2 LYS B 1 -1.338 10.200 -1.800 1.00 65.13 H new ATOM 0 H3 LYS B 1 -2.175 11.253 -2.835 1.00 65.13 H new ATOM 0 HA LYS B 1 -3.350 9.513 -0.774 1.00 12.01 H new ATOM 0 HB2 LYS B 1 -4.327 11.897 -2.045 1.00 31.31 H new ATOM 0 HB3 LYS B 1 -5.229 10.544 -2.698 1.00 31.31 H new ATOM 0 HG2 LYS B 1 -6.180 9.997 -0.648 1.00 12.24 H new ATOM 0 HG3 LYS B 1 -4.858 10.680 0.277 1.00 12.24 H new ATOM 0 HD2 LYS B 1 -5.621 12.905 -0.028 1.00 15.43 H new ATOM 0 HD3 LYS B 1 -6.623 12.475 -1.400 1.00 15.43 H new ATOM 0 HE2 LYS B 1 -7.641 10.875 0.653 1.00 1.52 H new ATOM 0 HE3 LYS B 1 -7.236 12.368 1.477 1.00 1.52 H new ATOM 0 HZ1 LYS B 1 -9.486 12.423 0.619 1.00 14.43 H new ATOM 0 HZ2 LYS B 1 -8.539 13.595 -0.164 1.00 14.43 H new ATOM 0 HZ3 LYS B 1 -8.931 12.148 -0.962 1.00 14.43 H new ATOM 280 N TYR B 2 -3.463 7.648 -2.379 1.00 72.33 N ATOM 281 CA TYR B 2 -3.512 6.516 -3.296 1.00 3.11 C ATOM 282 C TYR B 2 -4.897 5.876 -3.299 1.00 41.05 C ATOM 283 O TYR B 2 -5.064 4.730 -2.883 1.00 70.24 O ATOM 284 CB TYR B 2 -2.459 5.475 -2.911 1.00 22.31 C ATOM 285 CG TYR B 2 -2.325 5.273 -1.418 1.00 35.53 C ATOM 286 CD1 TYR B 2 -3.056 4.290 -0.763 1.00 1.35 C ATOM 287 CD2 TYR B 2 -1.469 6.066 -0.664 1.00 21.22 C ATOM 288 CE1 TYR B 2 -2.937 4.102 0.601 1.00 40.11 C ATOM 289 CE2 TYR B 2 -1.343 5.883 0.700 1.00 62.32 C ATOM 290 CZ TYR B 2 -2.079 4.901 1.328 1.00 74.42 C ATOM 291 OH TYR B 2 -1.957 4.718 2.686 1.00 55.41 O ATOM 0 H TYR B 2 -3.456 7.391 -1.392 1.00 72.33 H new ATOM 0 HA TYR B 2 -3.300 6.885 -4.299 1.00 3.11 H new ATOM 0 HB2 TYR B 2 -2.714 4.523 -3.377 1.00 22.31 H new ATOM 0 HB3 TYR B 2 -1.494 5.780 -3.316 1.00 22.31 H new ATOM 0 HD1 TYR B 2 -3.728 3.662 -1.329 1.00 1.35 H new ATOM 0 HD2 TYR B 2 -0.893 6.838 -1.152 1.00 21.22 H new ATOM 0 HE1 TYR B 2 -3.513 3.333 1.095 1.00 40.11 H new ATOM 0 HE2 TYR B 2 -0.671 6.506 1.271 1.00 62.32 H new ATOM 0 HH TYR B 2 -1.312 5.362 3.046 1.00 55.41 H new ATOM 301 N GLU B 3 -5.887 6.627 -3.773 1.00 64.12 N ATOM 302 CA GLU B 3 -7.258 6.134 -3.830 1.00 63.41 C ATOM 303 C GLU B 3 -7.781 6.148 -5.264 1.00 41.51 C ATOM 304 O GLU B 3 -8.599 5.310 -5.645 1.00 35.00 O ATOM 305 CB GLU B 3 -8.166 6.982 -2.937 1.00 50.50 C ATOM 306 CG GLU B 3 -8.339 6.418 -1.536 1.00 32.34 C ATOM 307 CD GLU B 3 -8.977 5.043 -1.535 1.00 73.12 C ATOM 308 OE1 GLU B 3 -9.890 4.812 -2.356 1.00 1.04 O ATOM 309 OE2 GLU B 3 -8.564 4.196 -0.715 1.00 22.32 O ATOM 0 H GLU B 3 -5.765 7.577 -4.122 1.00 64.12 H new ATOM 0 HA GLU B 3 -7.263 5.106 -3.469 1.00 63.41 H new ATOM 0 HB2 GLU B 3 -7.754 7.989 -2.866 1.00 50.50 H new ATOM 0 HB3 GLU B 3 -9.145 7.070 -3.408 1.00 50.50 H new ATOM 0 HG2 GLU B 3 -7.366 6.363 -1.048 1.00 32.34 H new ATOM 0 HG3 GLU B 3 -8.953 7.100 -0.947 1.00 32.34 H new ATOM 316 N ILE B 4 -7.305 7.105 -6.052 1.00 23.34 N ATOM 317 CA ILE B 4 -7.723 7.227 -7.443 1.00 44.11 C ATOM 318 C ILE B 4 -6.583 6.878 -8.393 1.00 63.10 C ATOM 319 O ILE B 4 -6.805 6.327 -9.472 1.00 41.33 O ATOM 320 CB ILE B 4 -8.220 8.651 -7.758 1.00 53.12 C ATOM 321 CG1 ILE B 4 -9.364 9.035 -6.817 1.00 20.12 C ATOM 322 CG2 ILE B 4 -8.666 8.747 -9.209 1.00 73.23 C ATOM 323 CD1 ILE B 4 -8.898 9.691 -5.536 1.00 74.23 C ATOM 0 H ILE B 4 -6.629 7.808 -5.751 1.00 23.34 H new ATOM 0 HA ILE B 4 -8.542 6.523 -7.589 1.00 44.11 H new ATOM 0 HB ILE B 4 -7.398 9.350 -7.604 1.00 53.12 H new ATOM 0 HG12 ILE B 4 -10.040 9.713 -7.338 1.00 20.12 H new ATOM 0 HG13 ILE B 4 -9.937 8.141 -6.570 1.00 20.12 H new ATOM 0 HG21 ILE B 4 -9.014 9.759 -9.416 1.00 73.23 H new ATOM 0 HG22 ILE B 4 -7.827 8.511 -9.864 1.00 73.23 H new ATOM 0 HG23 ILE B 4 -9.476 8.040 -9.388 1.00 73.23 H new ATOM 0 HD11 ILE B 4 -9.762 9.936 -4.918 1.00 74.23 H new ATOM 0 HD12 ILE B 4 -8.245 9.007 -4.993 1.00 74.23 H new ATOM 0 HD13 ILE B 4 -8.351 10.603 -5.773 1.00 74.23 H new ATOM 335 N THR B 5 -5.359 7.200 -7.985 1.00 42.43 N ATOM 336 CA THR B 5 -4.184 6.920 -8.799 1.00 20.34 C ATOM 337 C THR B 5 -3.599 5.551 -8.468 1.00 42.21 C ATOM 338 O THR B 5 -2.604 5.129 -9.058 1.00 43.02 O ATOM 339 CB THR B 5 -3.095 7.991 -8.602 1.00 4.23 C ATOM 340 OG1 THR B 5 -1.950 7.681 -9.403 1.00 31.45 O ATOM 341 CG2 THR B 5 -2.686 8.086 -7.139 1.00 35.04 C ATOM 0 H THR B 5 -5.157 7.655 -7.095 1.00 42.43 H new ATOM 0 HA THR B 5 -4.511 6.931 -9.839 1.00 20.34 H new ATOM 0 HB THR B 5 -3.504 8.953 -8.912 1.00 4.23 H new ATOM 0 HG1 THR B 5 -1.999 6.747 -9.697 1.00 31.45 H new ATOM 0 HG21 THR B 5 -1.916 8.849 -7.025 1.00 35.04 H new ATOM 0 HG22 THR B 5 -3.553 8.353 -6.535 1.00 35.04 H new ATOM 0 HG23 THR B 5 -2.295 7.124 -6.807 1.00 35.04 H new ATOM 349 N THR B 6 -4.223 4.860 -7.519 1.00 13.40 N ATOM 350 CA THR B 6 -3.765 3.538 -7.109 1.00 64.11 C ATOM 351 C THR B 6 -4.855 2.492 -7.309 1.00 53.32 C ATOM 352 O THR B 6 -4.566 1.307 -7.481 1.00 42.22 O ATOM 353 CB THR B 6 -3.325 3.530 -5.632 1.00 32.10 C ATOM 354 OG1 THR B 6 -2.004 2.989 -5.518 1.00 40.13 O ATOM 355 CG2 THR B 6 -4.289 2.713 -4.785 1.00 34.35 C ATOM 0 H THR B 6 -5.047 5.194 -7.020 1.00 13.40 H new ATOM 0 HA THR B 6 -2.909 3.290 -7.737 1.00 64.11 H new ATOM 0 HB THR B 6 -3.329 4.558 -5.268 1.00 32.10 H new ATOM 0 HG1 THR B 6 -1.731 2.988 -4.577 1.00 40.13 H new ATOM 0 HG21 THR B 6 -3.958 2.722 -3.746 1.00 34.35 H new ATOM 0 HG22 THR B 6 -5.288 3.145 -4.851 1.00 34.35 H new ATOM 0 HG23 THR B 6 -4.313 1.686 -5.149 1.00 34.35 H new ATOM 363 N ILE B 7 -6.107 2.937 -7.285 1.00 34.25 N ATOM 364 CA ILE B 7 -7.239 2.037 -7.465 1.00 53.20 C ATOM 365 C ILE B 7 -7.098 1.226 -8.749 1.00 14.42 C ATOM 366 O ILE B 7 -7.394 0.031 -8.777 1.00 11.11 O ATOM 367 CB ILE B 7 -8.571 2.810 -7.504 1.00 53.11 C ATOM 368 CG1 ILE B 7 -9.714 1.880 -7.918 1.00 30.44 C ATOM 369 CG2 ILE B 7 -8.471 3.992 -8.456 1.00 24.15 C ATOM 370 CD1 ILE B 7 -10.013 1.915 -9.401 1.00 1.21 C ATOM 0 H ILE B 7 -6.363 3.914 -7.143 1.00 34.25 H new ATOM 0 HA ILE B 7 -7.244 1.361 -6.610 1.00 53.20 H new ATOM 0 HB ILE B 7 -8.782 3.191 -6.505 1.00 53.11 H new ATOM 0 HG12 ILE B 7 -9.464 0.859 -7.630 1.00 30.44 H new ATOM 0 HG13 ILE B 7 -10.614 2.155 -7.367 1.00 30.44 H new ATOM 0 HG21 ILE B 7 -9.420 4.528 -8.472 1.00 24.15 H new ATOM 0 HG22 ILE B 7 -7.681 4.664 -8.120 1.00 24.15 H new ATOM 0 HG23 ILE B 7 -8.240 3.633 -9.459 1.00 24.15 H new ATOM 0 HD11 ILE B 7 -10.833 1.232 -9.623 1.00 1.21 H new ATOM 0 HD12 ILE B 7 -10.294 2.927 -9.692 1.00 1.21 H new ATOM 0 HD13 ILE B 7 -9.127 1.611 -9.958 1.00 1.21 H new ATOM 382 N HIS B 8 -6.643 1.884 -9.811 1.00 12.52 N ATOM 383 CA HIS B 8 -6.460 1.222 -11.098 1.00 2.05 C ATOM 384 C HIS B 8 -5.189 0.378 -11.099 1.00 52.24 C ATOM 385 O HIS B 8 -4.981 -0.448 -11.988 1.00 54.25 O ATOM 386 CB HIS B 8 -6.399 2.257 -12.222 1.00 54.14 C ATOM 387 CG HIS B 8 -7.556 2.179 -13.170 1.00 44.03 C ATOM 388 ND1 HIS B 8 -7.547 1.400 -14.307 1.00 35.01 N ATOM 389 CD2 HIS B 8 -8.764 2.791 -13.145 1.00 71.01 C ATOM 390 CE1 HIS B 8 -8.699 1.534 -14.940 1.00 33.13 C ATOM 391 NE2 HIS B 8 -9.455 2.372 -14.255 1.00 64.42 N ATOM 0 H HIS B 8 -6.395 2.873 -9.806 1.00 12.52 H new ATOM 0 HA HIS B 8 -7.312 0.564 -11.265 1.00 2.05 H new ATOM 0 HB2 HIS B 8 -6.365 3.255 -11.785 1.00 54.14 H new ATOM 0 HB3 HIS B 8 -5.473 2.121 -12.780 1.00 54.14 H new ATOM 0 HD2 HIS B 8 -9.118 3.480 -12.392 1.00 71.01 H new ATOM 0 HE1 HIS B 8 -8.975 1.042 -15.861 1.00 33.13 H new ATOM 0 HE2 HIS B 8 -10.399 2.661 -14.509 1.00 64.42 H new ATOM 399 N ASN B 9 -4.341 0.591 -10.098 1.00 74.50 N ATOM 400 CA ASN B 9 -3.090 -0.150 -9.985 1.00 45.55 C ATOM 401 C ASN B 9 -3.283 -1.420 -9.161 1.00 75.44 C ATOM 402 O ASN B 9 -2.457 -2.332 -9.205 1.00 4.11 O ATOM 403 CB ASN B 9 -2.011 0.726 -9.346 1.00 71.43 C ATOM 404 CG ASN B 9 -1.483 1.781 -10.300 1.00 43.42 C ATOM 405 OD1 ASN B 9 -1.528 2.976 -10.007 1.00 0.24 O ATOM 406 ND2 ASN B 9 -0.980 1.342 -11.447 1.00 62.32 N ATOM 0 H ASN B 9 -4.497 1.271 -9.354 1.00 74.50 H new ATOM 0 HA ASN B 9 -2.772 -0.433 -10.988 1.00 45.55 H new ATOM 0 HB2 ASN B 9 -2.419 1.213 -8.460 1.00 71.43 H new ATOM 0 HB3 ASN B 9 -1.186 0.096 -9.012 1.00 71.43 H new ATOM 0 HD21 ASN B 9 -0.610 2.005 -12.128 1.00 62.32 H new ATOM 0 HD22 ASN B 9 -0.963 0.342 -11.647 1.00 62.32 H new ATOM 413 N LEU B 10 -4.379 -1.473 -8.413 1.00 23.41 N ATOM 414 CA LEU B 10 -4.682 -2.632 -7.580 1.00 64.34 C ATOM 415 C LEU B 10 -5.174 -3.798 -8.429 1.00 33.01 C ATOM 416 O LEU B 10 -5.378 -4.903 -7.926 1.00 53.35 O ATOM 417 CB LEU B 10 -5.734 -2.268 -6.530 1.00 74.51 C ATOM 418 CG LEU B 10 -7.192 -2.345 -6.988 1.00 12.44 C ATOM 419 CD1 LEU B 10 -7.758 -3.734 -6.735 1.00 44.12 C ATOM 420 CD2 LEU B 10 -8.028 -1.289 -6.281 1.00 11.51 C ATOM 0 H LEU B 10 -5.073 -0.727 -8.366 1.00 23.41 H new ATOM 0 HA LEU B 10 -3.765 -2.937 -7.075 1.00 64.34 H new ATOM 0 HB2 LEU B 10 -5.608 -2.930 -5.673 1.00 74.51 H new ATOM 0 HB3 LEU B 10 -5.536 -1.254 -6.182 1.00 74.51 H new ATOM 0 HG LEU B 10 -7.228 -2.151 -8.060 1.00 12.44 H new ATOM 0 HD11 LEU B 10 -8.796 -3.770 -7.067 1.00 44.12 H new ATOM 0 HD12 LEU B 10 -7.175 -4.471 -7.287 1.00 44.12 H new ATOM 0 HD13 LEU B 10 -7.710 -3.958 -5.669 1.00 44.12 H new ATOM 0 HD21 LEU B 10 -9.062 -1.358 -6.618 1.00 11.51 H new ATOM 0 HD22 LEU B 10 -7.986 -1.453 -5.204 1.00 11.51 H new ATOM 0 HD23 LEU B 10 -7.636 -0.299 -6.513 1.00 11.51 H new ATOM 432 N PHE B 11 -5.361 -3.546 -9.721 1.00 52.41 N ATOM 433 CA PHE B 11 -5.829 -4.577 -10.640 1.00 32.24 C ATOM 434 C PHE B 11 -4.720 -5.582 -10.940 1.00 60.30 C ATOM 435 O PHE B 11 -4.180 -5.613 -12.046 1.00 23.14 O ATOM 436 CB PHE B 11 -6.323 -3.942 -11.942 1.00 52.41 C ATOM 437 CG PHE B 11 -7.820 -3.855 -12.036 1.00 31.14 C ATOM 438 CD1 PHE B 11 -8.586 -3.613 -10.906 1.00 22.30 C ATOM 439 CD2 PHE B 11 -8.462 -4.017 -13.253 1.00 12.14 C ATOM 440 CE1 PHE B 11 -9.962 -3.533 -10.989 1.00 41.15 C ATOM 441 CE2 PHE B 11 -9.838 -3.937 -13.342 1.00 31.20 C ATOM 442 CZ PHE B 11 -10.590 -3.696 -12.209 1.00 30.34 C ATOM 0 H PHE B 11 -5.196 -2.638 -10.154 1.00 52.41 H new ATOM 0 HA PHE B 11 -6.655 -5.105 -10.165 1.00 32.24 H new ATOM 0 HB2 PHE B 11 -5.902 -2.940 -12.031 1.00 52.41 H new ATOM 0 HB3 PHE B 11 -5.947 -4.522 -12.785 1.00 52.41 H new ATOM 0 HD1 PHE B 11 -8.101 -3.486 -9.950 1.00 22.30 H new ATOM 0 HD2 PHE B 11 -7.880 -4.208 -14.142 1.00 12.14 H new ATOM 0 HE1 PHE B 11 -10.547 -3.343 -10.101 1.00 41.15 H new ATOM 0 HE2 PHE B 11 -10.326 -4.063 -14.297 1.00 31.20 H new ATOM 0 HZ PHE B 11 -11.666 -3.635 -12.276 1.00 30.34 H new ATOM 452 N ARG B 12 -4.388 -6.400 -9.948 1.00 32.25 N ATOM 453 CA ARG B 12 -3.342 -7.405 -10.104 1.00 51.42 C ATOM 454 C ARG B 12 -3.628 -8.305 -11.303 1.00 60.30 C ATOM 455 O ARG B 12 -2.712 -8.866 -11.904 1.00 32.14 O ATOM 456 CB ARG B 12 -3.225 -8.250 -8.835 1.00 2.43 C ATOM 457 CG ARG B 12 -4.551 -8.814 -8.353 1.00 61.24 C ATOM 458 CD ARG B 12 -4.348 -9.948 -7.361 1.00 4.31 C ATOM 459 NE ARG B 12 -5.177 -9.789 -6.169 1.00 23.30 N ATOM 460 CZ ARG B 12 -4.934 -8.893 -5.219 1.00 53.02 C ATOM 461 NH1 ARG B 12 -3.891 -8.081 -5.320 1.00 74.41 N ATOM 462 NH2 ARG B 12 -5.735 -8.809 -4.165 1.00 53.22 N ATOM 0 H ARG B 12 -4.827 -6.388 -9.028 1.00 32.25 H new ATOM 0 HA ARG B 12 -2.398 -6.888 -10.276 1.00 51.42 H new ATOM 0 HB2 ARG B 12 -2.535 -9.074 -9.020 1.00 2.43 H new ATOM 0 HB3 ARG B 12 -2.789 -7.641 -8.043 1.00 2.43 H new ATOM 0 HG2 ARG B 12 -5.136 -8.022 -7.886 1.00 61.24 H new ATOM 0 HG3 ARG B 12 -5.126 -9.174 -9.206 1.00 61.24 H new ATOM 0 HD2 ARG B 12 -4.584 -10.897 -7.842 1.00 4.31 H new ATOM 0 HD3 ARG B 12 -3.299 -9.991 -7.069 1.00 4.31 H new ATOM 0 HE ARG B 12 -5.987 -10.399 -6.060 1.00 23.30 H new ATOM 0 HH11 ARG B 12 -3.273 -8.143 -6.129 1.00 74.41 H new ATOM 0 HH12 ARG B 12 -3.707 -7.394 -4.589 1.00 74.41 H new ATOM 0 HH21 ARG B 12 -6.538 -9.433 -4.084 1.00 53.22 H new ATOM 0 HH22 ARG B 12 -5.548 -8.121 -3.436 1.00 53.22 H new ATOM 476 N LYS B 13 -4.905 -8.438 -11.645 1.00 71.53 N ATOM 477 CA LYS B 13 -5.313 -9.268 -12.772 1.00 22.11 C ATOM 478 C LYS B 13 -4.831 -8.671 -14.091 1.00 51.23 C ATOM 479 O LYS B 13 -4.583 -9.393 -15.057 1.00 32.13 O ATOM 480 CB LYS B 13 -6.835 -9.420 -12.795 1.00 51.04 C ATOM 481 CG LYS B 13 -7.325 -10.504 -13.740 1.00 23.33 C ATOM 482 CD LYS B 13 -8.090 -9.917 -14.914 1.00 31.50 C ATOM 483 CE LYS B 13 -9.545 -9.659 -14.558 1.00 44.44 C ATOM 484 NZ LYS B 13 -10.408 -9.581 -15.769 1.00 60.11 N ATOM 0 H LYS B 13 -5.676 -7.981 -11.157 1.00 71.53 H new ATOM 0 HA LYS B 13 -4.857 -10.251 -12.651 1.00 22.11 H new ATOM 0 HB2 LYS B 13 -7.184 -9.644 -11.787 1.00 51.04 H new ATOM 0 HB3 LYS B 13 -7.282 -8.469 -13.084 1.00 51.04 H new ATOM 0 HG2 LYS B 13 -6.475 -11.078 -14.109 1.00 23.33 H new ATOM 0 HG3 LYS B 13 -7.967 -11.198 -13.197 1.00 23.33 H new ATOM 0 HD2 LYS B 13 -7.620 -8.984 -15.226 1.00 31.50 H new ATOM 0 HD3 LYS B 13 -8.037 -10.600 -15.762 1.00 31.50 H new ATOM 0 HE2 LYS B 13 -9.906 -10.455 -13.906 1.00 44.44 H new ATOM 0 HE3 LYS B 13 -9.622 -8.728 -13.997 1.00 44.44 H new ATOM 0 HZ1 LYS B 13 -11.392 -9.404 -15.483 1.00 60.11 H new ATOM 0 HZ2 LYS B 13 -10.080 -8.806 -16.380 1.00 60.11 H new ATOM 0 HZ3 LYS B 13 -10.355 -10.479 -16.291 1.00 60.11 H new ATOM 498 N LEU B 14 -4.699 -7.349 -14.123 1.00 33.33 N ATOM 499 CA LEU B 14 -4.245 -6.656 -15.323 1.00 25.41 C ATOM 500 C LEU B 14 -2.778 -6.256 -15.198 1.00 73.15 C ATOM 501 O LEU B 14 -1.896 -6.906 -15.760 1.00 72.34 O ATOM 502 CB LEU B 14 -5.104 -5.414 -15.574 1.00 34.31 C ATOM 503 CG LEU B 14 -6.322 -5.613 -16.477 1.00 52.33 C ATOM 504 CD1 LEU B 14 -7.103 -4.315 -16.612 1.00 13.10 C ATOM 505 CD2 LEU B 14 -5.895 -6.126 -17.845 1.00 1.32 C ATOM 0 H LEU B 14 -4.900 -6.737 -13.332 1.00 33.33 H new ATOM 0 HA LEU B 14 -4.346 -7.338 -16.167 1.00 25.41 H new ATOM 0 HB2 LEU B 14 -5.448 -5.034 -14.612 1.00 34.31 H new ATOM 0 HB3 LEU B 14 -4.472 -4.642 -16.014 1.00 34.31 H new ATOM 0 HG LEU B 14 -6.972 -6.359 -16.019 1.00 52.33 H new ATOM 0 HD11 LEU B 14 -7.966 -4.475 -17.258 1.00 13.10 H new ATOM 0 HD12 LEU B 14 -7.441 -3.990 -15.628 1.00 13.10 H new ATOM 0 HD13 LEU B 14 -6.462 -3.548 -17.047 1.00 13.10 H new ATOM 0 HD21 LEU B 14 -6.775 -6.262 -18.474 1.00 1.32 H new ATOM 0 HD22 LEU B 14 -5.224 -5.404 -18.311 1.00 1.32 H new ATOM 0 HD23 LEU B 14 -5.380 -7.080 -17.731 1.00 1.32 H new ATOM 517 N THR B 15 -2.523 -5.182 -14.457 1.00 64.34 N ATOM 518 CA THR B 15 -1.164 -4.696 -14.257 1.00 63.31 C ATOM 519 C THR B 15 -0.796 -4.683 -12.779 1.00 45.43 C ATOM 520 O THR B 15 -1.444 -4.013 -11.973 1.00 13.12 O ATOM 521 CB THR B 15 -0.984 -3.279 -14.832 1.00 61.54 C ATOM 522 OG1 THR B 15 -2.256 -2.630 -14.943 1.00 62.55 O ATOM 523 CG2 THR B 15 -0.314 -3.328 -16.197 1.00 43.20 C ATOM 0 H THR B 15 -3.241 -4.632 -13.985 1.00 64.34 H new ATOM 0 HA THR B 15 -0.503 -5.382 -14.787 1.00 63.31 H new ATOM 0 HB THR B 15 -0.346 -2.714 -14.152 1.00 61.54 H new ATOM 0 HG1 THR B 15 -2.133 -1.729 -15.308 1.00 62.55 H new ATOM 0 HG21 THR B 15 -0.198 -2.315 -16.582 1.00 43.20 H new ATOM 0 HG22 THR B 15 0.666 -3.795 -16.105 1.00 43.20 H new ATOM 0 HG23 THR B 15 -0.930 -3.909 -16.884 1.00 43.20 H new ATOM 531 N HIS B 16 0.248 -5.427 -12.426 1.00 42.14 N ATOM 532 CA HIS B 16 0.703 -5.498 -11.042 1.00 55.43 C ATOM 533 C HIS B 16 2.152 -5.036 -10.921 1.00 44.14 C ATOM 534 O HIS B 16 2.801 -5.258 -9.899 1.00 12.10 O ATOM 535 CB HIS B 16 0.566 -6.927 -10.512 1.00 44.01 C ATOM 536 CG HIS B 16 0.884 -7.977 -11.532 1.00 64.35 C ATOM 537 ND1 HIS B 16 -0.006 -8.370 -12.509 1.00 24.53 N ATOM 538 CD2 HIS B 16 2.001 -8.716 -11.724 1.00 4.31 C ATOM 539 CE1 HIS B 16 0.551 -9.307 -13.257 1.00 65.24 C ATOM 540 NE2 HIS B 16 1.769 -9.534 -12.802 1.00 44.41 N ATOM 0 H HIS B 16 0.794 -5.989 -13.079 1.00 42.14 H new ATOM 0 HA HIS B 16 0.078 -4.834 -10.445 1.00 55.43 H new ATOM 0 HB2 HIS B 16 1.227 -7.053 -9.655 1.00 44.01 H new ATOM 0 HB3 HIS B 16 -0.452 -7.077 -10.154 1.00 44.01 H new ATOM 0 HD1 HIS B 16 -0.947 -7.996 -12.635 1.00 24.53 H new ATOM 0 HD2 HIS B 16 2.907 -8.671 -11.138 1.00 4.31 H new ATOM 0 HE1 HIS B 16 0.088 -9.803 -14.098 1.00 65.24 H new ATOM 548 N ARG B 17 2.651 -4.391 -11.971 1.00 43.41 N ATOM 549 CA ARG B 17 4.023 -3.898 -11.983 1.00 43.13 C ATOM 550 C ARG B 17 4.066 -2.402 -11.680 1.00 53.03 C ATOM 551 O ARG B 17 5.020 -1.907 -11.077 1.00 52.03 O ATOM 552 CB ARG B 17 4.675 -4.173 -13.338 1.00 73.31 C ATOM 553 CG ARG B 17 4.637 -5.637 -13.745 1.00 22.32 C ATOM 554 CD ARG B 17 5.656 -6.458 -12.971 1.00 23.33 C ATOM 555 NE ARG B 17 7.004 -6.313 -13.517 1.00 15.32 N ATOM 556 CZ ARG B 17 7.406 -6.892 -14.642 1.00 12.15 C ATOM 557 NH1 ARG B 17 6.570 -7.650 -15.338 1.00 2.44 N ATOM 558 NH2 ARG B 17 8.648 -6.714 -15.074 1.00 61.14 N ATOM 0 H ARG B 17 2.126 -4.198 -12.824 1.00 43.41 H new ATOM 0 HA ARG B 17 4.578 -4.425 -11.207 1.00 43.13 H new ATOM 0 HB2 ARG B 17 4.172 -3.579 -14.101 1.00 73.31 H new ATOM 0 HB3 ARG B 17 5.712 -3.840 -13.307 1.00 73.31 H new ATOM 0 HG2 ARG B 17 3.638 -6.038 -13.572 1.00 22.32 H new ATOM 0 HG3 ARG B 17 4.834 -5.724 -14.813 1.00 22.32 H new ATOM 0 HD2 ARG B 17 5.653 -6.148 -11.926 1.00 23.33 H new ATOM 0 HD3 ARG B 17 5.367 -7.509 -12.993 1.00 23.33 H new ATOM 0 HE ARG B 17 7.672 -5.736 -13.006 1.00 15.32 H new ATOM 0 HH11 ARG B 17 5.615 -7.790 -15.010 1.00 2.44 H new ATOM 0 HH12 ARG B 17 6.882 -8.093 -16.202 1.00 2.44 H new ATOM 0 HH21 ARG B 17 9.295 -6.132 -14.542 1.00 61.14 H new ATOM 0 HH22 ARG B 17 8.956 -7.159 -15.938 1.00 61.14 H new ATOM 572 N LEU B 18 3.029 -1.689 -12.102 1.00 51.24 N ATOM 573 CA LEU B 18 2.947 -0.249 -11.878 1.00 13.22 C ATOM 574 C LEU B 18 2.181 0.059 -10.594 1.00 33.44 C ATOM 575 O LEU B 18 1.582 1.126 -10.459 1.00 12.42 O ATOM 576 CB LEU B 18 2.270 0.435 -13.066 1.00 24.41 C ATOM 577 CG LEU B 18 1.118 -0.333 -13.716 1.00 22.22 C ATOM 578 CD1 LEU B 18 0.053 0.629 -14.219 1.00 14.24 C ATOM 579 CD2 LEU B 18 1.632 -1.205 -14.852 1.00 21.53 C ATOM 0 H LEU B 18 2.232 -2.084 -12.602 1.00 51.24 H new ATOM 0 HA LEU B 18 3.962 0.136 -11.776 1.00 13.22 H new ATOM 0 HB2 LEU B 18 1.894 1.403 -12.736 1.00 24.41 H new ATOM 0 HB3 LEU B 18 3.026 0.629 -13.827 1.00 24.41 H new ATOM 0 HG LEU B 18 0.668 -0.981 -12.964 1.00 22.22 H new ATOM 0 HD11 LEU B 18 -0.759 0.065 -14.678 1.00 14.24 H new ATOM 0 HD12 LEU B 18 -0.336 1.210 -13.383 1.00 14.24 H new ATOM 0 HD13 LEU B 18 0.490 1.302 -14.957 1.00 14.24 H new ATOM 0 HD21 LEU B 18 0.799 -1.744 -15.303 1.00 21.53 H new ATOM 0 HD22 LEU B 18 2.108 -0.578 -15.605 1.00 21.53 H new ATOM 0 HD23 LEU B 18 2.358 -1.919 -14.463 1.00 21.53 H new ATOM 591 N PHE B 19 2.209 -0.880 -9.655 1.00 14.11 N ATOM 592 CA PHE B 19 1.519 -0.709 -8.383 1.00 42.42 C ATOM 593 C PHE B 19 2.497 -0.805 -7.216 1.00 44.30 C ATOM 594 O PHE B 19 2.440 -0.011 -6.276 1.00 73.14 O ATOM 595 CB PHE B 19 0.419 -1.762 -8.228 1.00 63.30 C ATOM 596 CG PHE B 19 -0.387 -1.607 -6.970 1.00 5.21 C ATOM 597 CD1 PHE B 19 -0.783 -2.718 -6.244 1.00 54.23 C ATOM 598 CD2 PHE B 19 -0.748 -0.349 -6.513 1.00 55.44 C ATOM 599 CE1 PHE B 19 -1.524 -2.580 -5.085 1.00 71.42 C ATOM 600 CE2 PHE B 19 -1.489 -0.204 -5.356 1.00 51.40 C ATOM 601 CZ PHE B 19 -1.879 -1.321 -4.642 1.00 4.05 C ATOM 0 H PHE B 19 2.702 -1.768 -9.751 1.00 14.11 H new ATOM 0 HA PHE B 19 1.067 0.283 -8.375 1.00 42.42 H new ATOM 0 HB2 PHE B 19 -0.249 -1.707 -9.087 1.00 63.30 H new ATOM 0 HB3 PHE B 19 0.872 -2.753 -8.240 1.00 63.30 H new ATOM 0 HD1 PHE B 19 -0.509 -3.705 -6.588 1.00 54.23 H new ATOM 0 HD2 PHE B 19 -0.447 0.527 -7.068 1.00 55.44 H new ATOM 0 HE1 PHE B 19 -1.825 -3.455 -4.527 1.00 71.42 H new ATOM 0 HE2 PHE B 19 -1.763 0.782 -5.010 1.00 51.40 H new ATOM 0 HZ PHE B 19 -2.461 -1.210 -3.739 1.00 4.05 H new ATOM 611 N ARG B 20 3.395 -1.783 -7.282 1.00 71.43 N ATOM 612 CA ARG B 20 4.385 -1.985 -6.232 1.00 42.35 C ATOM 613 C ARG B 20 5.793 -1.713 -6.752 1.00 62.53 C ATOM 614 O ARG B 20 6.666 -1.266 -6.008 1.00 14.43 O ATOM 615 CB ARG B 20 4.297 -3.412 -5.687 1.00 4.21 C ATOM 616 CG ARG B 20 4.631 -4.478 -6.716 1.00 75.22 C ATOM 617 CD ARG B 20 3.982 -5.809 -6.369 1.00 32.53 C ATOM 618 NE ARG B 20 4.213 -6.816 -7.402 1.00 43.03 N ATOM 619 CZ ARG B 20 5.371 -7.446 -7.570 1.00 41.35 C ATOM 620 NH1 ARG B 20 6.397 -7.175 -6.777 1.00 2.35 N ATOM 621 NH2 ARG B 20 5.502 -8.350 -8.532 1.00 75.44 N ATOM 0 H ARG B 20 3.457 -2.448 -8.053 1.00 71.43 H new ATOM 0 HA ARG B 20 4.172 -1.282 -5.427 1.00 42.35 H new ATOM 0 HB2 ARG B 20 4.976 -3.511 -4.840 1.00 4.21 H new ATOM 0 HB3 ARG B 20 3.289 -3.586 -5.310 1.00 4.21 H new ATOM 0 HG2 ARG B 20 4.294 -4.153 -7.701 1.00 75.22 H new ATOM 0 HG3 ARG B 20 5.712 -4.603 -6.774 1.00 75.22 H new ATOM 0 HD2 ARG B 20 4.376 -6.168 -5.418 1.00 32.53 H new ATOM 0 HD3 ARG B 20 2.910 -5.666 -6.236 1.00 32.53 H new ATOM 0 HE ARG B 20 3.443 -7.048 -8.029 1.00 43.03 H new ATOM 0 HH11 ARG B 20 6.299 -6.481 -6.035 1.00 2.35 H new ATOM 0 HH12 ARG B 20 7.285 -7.660 -6.908 1.00 2.35 H new ATOM 0 HH21 ARG B 20 4.714 -8.562 -9.143 1.00 75.44 H new ATOM 0 HH22 ARG B 20 6.391 -8.833 -8.660 1.00 75.44 H new ATOM 635 N ARG B 21 6.007 -1.985 -8.036 1.00 12.13 N ATOM 636 CA ARG B 21 7.309 -1.773 -8.656 1.00 43.24 C ATOM 637 C ARG B 21 7.469 -0.321 -9.098 1.00 22.12 C ATOM 638 O ARG B 21 8.570 0.120 -9.428 1.00 51.32 O ATOM 639 CB ARG B 21 7.485 -2.705 -9.855 1.00 2.14 C ATOM 640 CG ARG B 21 8.886 -3.287 -9.973 1.00 52.24 C ATOM 641 CD ARG B 21 8.847 -4.791 -10.196 1.00 72.32 C ATOM 642 NE ARG B 21 9.767 -5.211 -11.249 1.00 73.03 N ATOM 643 CZ ARG B 21 10.063 -6.482 -11.502 1.00 42.34 C ATOM 644 NH1 ARG B 21 9.513 -7.449 -10.782 1.00 13.22 N ATOM 645 NH2 ARG B 21 10.909 -6.786 -12.477 1.00 64.41 N ATOM 0 H ARG B 21 5.295 -2.353 -8.667 1.00 12.13 H new ATOM 0 HA ARG B 21 8.077 -1.997 -7.916 1.00 43.24 H new ATOM 0 HB2 ARG B 21 6.767 -3.521 -9.779 1.00 2.14 H new ATOM 0 HB3 ARG B 21 7.250 -2.158 -10.768 1.00 2.14 H new ATOM 0 HG2 ARG B 21 9.411 -2.809 -10.800 1.00 52.24 H new ATOM 0 HG3 ARG B 21 9.450 -3.067 -9.067 1.00 52.24 H new ATOM 0 HD2 ARG B 21 9.101 -5.302 -9.267 1.00 72.32 H new ATOM 0 HD3 ARG B 21 7.833 -5.093 -10.459 1.00 72.32 H new ATOM 0 HE ARG B 21 10.206 -4.490 -11.821 1.00 73.03 H new ATOM 0 HH11 ARG B 21 8.861 -7.219 -10.032 1.00 13.22 H new ATOM 0 HH12 ARG B 21 9.741 -8.424 -10.978 1.00 13.22 H new ATOM 0 HH21 ARG B 21 11.333 -6.044 -13.034 1.00 64.41 H new ATOM 0 HH22 ARG B 21 11.135 -7.762 -12.670 1.00 64.41 H new ATOM 659 N ASN B 22 6.363 0.415 -9.104 1.00 64.35 N ATOM 660 CA ASN B 22 6.380 1.817 -9.507 1.00 21.40 C ATOM 661 C ASN B 22 5.878 2.714 -8.380 1.00 73.34 C ATOM 662 O ASN B 22 6.591 3.602 -7.913 1.00 30.54 O ATOM 663 CB ASN B 22 5.522 2.020 -10.758 1.00 0.11 C ATOM 664 CG ASN B 22 6.117 1.351 -11.982 1.00 51.11 C ATOM 665 OD1 ASN B 22 6.964 0.466 -11.869 1.00 33.14 O ATOM 666 ND2 ASN B 22 5.674 1.774 -13.161 1.00 11.51 N ATOM 0 H ASN B 22 5.444 0.065 -8.835 1.00 64.35 H new ATOM 0 HA ASN B 22 7.410 2.092 -9.733 1.00 21.40 H new ATOM 0 HB2 ASN B 22 4.523 1.622 -10.579 1.00 0.11 H new ATOM 0 HB3 ASN B 22 5.410 3.087 -10.949 1.00 0.11 H new ATOM 0 HD21 ASN B 22 6.038 1.362 -14.020 1.00 11.51 H new ATOM 0 HD22 ASN B 22 4.970 2.511 -13.207 1.00 11.51 H new ATOM 673 N PHE B 23 4.644 2.476 -7.948 1.00 52.34 N ATOM 674 CA PHE B 23 4.044 3.262 -6.876 1.00 22.11 C ATOM 675 C PHE B 23 4.277 2.600 -5.521 1.00 63.32 C ATOM 676 O PHE B 23 3.668 2.979 -4.521 1.00 3.45 O ATOM 677 CB PHE B 23 2.544 3.436 -7.120 1.00 15.22 C ATOM 678 CG PHE B 23 2.224 4.191 -8.378 1.00 64.51 C ATOM 679 CD1 PHE B 23 2.905 5.356 -8.694 1.00 53.34 C ATOM 680 CD2 PHE B 23 1.243 3.737 -9.245 1.00 24.43 C ATOM 681 CE1 PHE B 23 2.614 6.054 -9.852 1.00 13.33 C ATOM 682 CE2 PHE B 23 0.949 4.430 -10.404 1.00 75.33 C ATOM 683 CZ PHE B 23 1.634 5.590 -10.707 1.00 4.10 C ATOM 0 H PHE B 23 4.040 1.745 -8.324 1.00 52.34 H new ATOM 0 HA PHE B 23 4.520 4.243 -6.868 1.00 22.11 H new ATOM 0 HB2 PHE B 23 2.075 2.453 -7.167 1.00 15.22 H new ATOM 0 HB3 PHE B 23 2.104 3.959 -6.271 1.00 15.22 H new ATOM 0 HD1 PHE B 23 3.672 5.723 -8.028 1.00 53.34 H new ATOM 0 HD2 PHE B 23 0.702 2.832 -9.012 1.00 24.43 H new ATOM 0 HE1 PHE B 23 3.152 6.960 -10.087 1.00 13.33 H new ATOM 0 HE2 PHE B 23 0.184 4.064 -11.073 1.00 75.33 H new ATOM 0 HZ PHE B 23 1.404 6.134 -11.611 1.00 4.10 H new ATOM 693 N GLY B 24 5.162 1.609 -5.497 1.00 15.05 N ATOM 694 CA GLY B 24 5.459 0.909 -4.262 1.00 4.55 C ATOM 695 C GLY B 24 6.806 1.299 -3.684 1.00 51.03 C ATOM 696 O GLY B 24 7.145 0.913 -2.566 1.00 1.43 O ATOM 0 H GLY B 24 5.679 1.278 -6.312 1.00 15.05 H new ATOM 0 HA2 GLY B 24 4.678 1.121 -3.531 1.00 4.55 H new ATOM 0 HA3 GLY B 24 5.442 -0.166 -4.444 1.00 4.55 H new ATOM 700 N TYR B 25 7.576 2.064 -4.449 1.00 21.32 N ATOM 701 CA TYR B 25 8.896 2.503 -4.010 1.00 40.31 C ATOM 702 C TYR B 25 8.801 3.287 -2.704 1.00 1.13 C ATOM 703 O TYR B 25 9.773 3.386 -1.954 1.00 2.01 O ATOM 704 CB TYR B 25 9.556 3.363 -5.088 1.00 53.03 C ATOM 705 CG TYR B 25 11.020 3.051 -5.299 1.00 32.20 C ATOM 706 CD1 TYR B 25 11.997 4.005 -5.042 1.00 4.32 C ATOM 707 CD2 TYR B 25 11.426 1.805 -5.757 1.00 14.54 C ATOM 708 CE1 TYR B 25 13.337 3.724 -5.233 1.00 60.14 C ATOM 709 CE2 TYR B 25 12.763 1.515 -5.951 1.00 1.13 C ATOM 710 CZ TYR B 25 13.715 2.478 -5.688 1.00 53.14 C ATOM 711 OH TYR B 25 15.047 2.194 -5.881 1.00 21.02 O ATOM 0 H TYR B 25 7.309 2.393 -5.377 1.00 21.32 H new ATOM 0 HA TYR B 25 9.508 1.617 -3.838 1.00 40.31 H new ATOM 0 HB2 TYR B 25 9.024 3.223 -6.029 1.00 53.03 H new ATOM 0 HB3 TYR B 25 9.452 4.414 -4.817 1.00 53.03 H new ATOM 0 HD1 TYR B 25 11.705 4.982 -4.687 1.00 4.32 H new ATOM 0 HD2 TYR B 25 10.684 1.049 -5.965 1.00 14.54 H new ATOM 0 HE1 TYR B 25 14.084 4.476 -5.027 1.00 60.14 H new ATOM 0 HE2 TYR B 25 13.061 0.540 -6.307 1.00 1.13 H new ATOM 0 HH TYR B 25 15.142 1.273 -6.203 1.00 21.02 H new ATOM 721 N THR B 26 7.624 3.842 -2.438 1.00 41.05 N ATOM 722 CA THR B 26 7.400 4.617 -1.225 1.00 44.34 C ATOM 723 C THR B 26 7.844 3.844 0.012 1.00 52.04 C ATOM 724 O THR B 26 7.326 2.764 0.299 1.00 30.14 O ATOM 725 CB THR B 26 5.917 5.005 -1.070 1.00 73.41 C ATOM 726 OG1 THR B 26 5.180 4.592 -2.226 1.00 40.21 O ATOM 727 CG2 THR B 26 5.767 6.506 -0.877 1.00 11.35 C ATOM 0 H THR B 26 6.809 3.769 -3.048 1.00 41.05 H new ATOM 0 HA THR B 26 7.997 5.525 -1.316 1.00 44.34 H new ATOM 0 HB THR B 26 5.523 4.500 -0.188 1.00 73.41 H new ATOM 0 HG1 THR B 26 4.238 4.840 -2.119 1.00 40.21 H new ATOM 0 HG21 THR B 26 4.711 6.755 -0.770 1.00 11.35 H new ATOM 0 HG22 THR B 26 6.305 6.813 0.020 1.00 11.35 H new ATOM 0 HG23 THR B 26 6.177 7.027 -1.742 1.00 11.35 H new ATOM 735 N LEU B 27 8.803 4.404 0.741 1.00 15.53 N ATOM 736 CA LEU B 27 9.315 3.766 1.949 1.00 14.14 C ATOM 737 C LEU B 27 8.818 4.485 3.198 1.00 43.35 C ATOM 738 O LEU B 27 9.533 5.299 3.783 1.00 60.31 O ATOM 739 CB LEU B 27 10.845 3.749 1.930 1.00 51.32 C ATOM 740 CG LEU B 27 11.496 3.293 0.624 1.00 14.11 C ATOM 741 CD1 LEU B 27 13.010 3.405 0.714 1.00 70.23 C ATOM 742 CD2 LEU B 27 11.084 1.865 0.293 1.00 43.13 C ATOM 0 H LEU B 27 9.241 5.297 0.517 1.00 15.53 H new ATOM 0 HA LEU B 27 8.946 2.741 1.973 1.00 14.14 H new ATOM 0 HB2 LEU B 27 11.202 4.753 2.159 1.00 51.32 H new ATOM 0 HB3 LEU B 27 11.191 3.097 2.732 1.00 51.32 H new ATOM 0 HG LEU B 27 11.151 3.945 -0.178 1.00 14.11 H new ATOM 0 HD11 LEU B 27 13.456 3.076 -0.225 1.00 70.23 H new ATOM 0 HD12 LEU B 27 13.287 4.442 0.904 1.00 70.23 H new ATOM 0 HD13 LEU B 27 13.374 2.777 1.528 1.00 70.23 H new ATOM 0 HD21 LEU B 27 11.557 1.557 -0.640 1.00 43.13 H new ATOM 0 HD22 LEU B 27 11.399 1.200 1.097 1.00 43.13 H new ATOM 0 HD23 LEU B 27 10.001 1.815 0.185 1.00 43.13 H new ATOM 754 N ARG B 28 7.589 4.179 3.602 1.00 2.24 N ATOM 755 CA ARG B 28 6.997 4.796 4.783 1.00 63.30 C ATOM 756 C ARG B 28 7.898 4.614 6.001 1.00 53.33 C ATOM 757 O ARG B 28 8.111 3.493 6.464 1.00 12.34 O ATOM 758 CB ARG B 28 5.617 4.197 5.060 1.00 22.31 C ATOM 759 CG ARG B 28 4.502 5.228 5.099 1.00 65.43 C ATOM 760 CD ARG B 28 3.315 4.735 5.910 1.00 42.43 C ATOM 761 NE ARG B 28 2.267 5.748 6.021 1.00 11.05 N ATOM 762 CZ ARG B 28 1.142 5.570 6.704 1.00 31.35 C ATOM 763 NH1 ARG B 28 0.921 4.425 7.335 1.00 52.31 N ATOM 764 NH2 ARG B 28 0.237 6.539 6.758 1.00 32.02 N ATOM 0 H ARG B 28 6.984 3.508 3.129 1.00 2.24 H new ATOM 0 HA ARG B 28 6.889 5.863 4.590 1.00 63.30 H new ATOM 0 HB2 ARG B 28 5.390 3.458 4.291 1.00 22.31 H new ATOM 0 HB3 ARG B 28 5.645 3.668 6.013 1.00 22.31 H new ATOM 0 HG2 ARG B 28 4.878 6.156 5.530 1.00 65.43 H new ATOM 0 HG3 ARG B 28 4.180 5.456 4.083 1.00 65.43 H new ATOM 0 HD2 ARG B 28 2.905 3.839 5.444 1.00 42.43 H new ATOM 0 HD3 ARG B 28 3.651 4.450 6.907 1.00 42.43 H new ATOM 0 HE ARG B 28 2.407 6.641 5.548 1.00 11.05 H new ATOM 0 HH11 ARG B 28 1.616 3.679 7.296 1.00 52.31 H new ATOM 0 HH12 ARG B 28 0.056 4.290 7.859 1.00 52.31 H new ATOM 0 HH21 ARG B 28 0.405 7.421 6.275 1.00 32.02 H new ATOM 0 HH22 ARG B 28 -0.627 6.401 7.283 1.00 32.02 H new TER 778 ARG B 28