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 Set 1.1: A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: B 5 THR OG1 : rot 80:sc= -0.394 USER MOD Single : A 1 VAL N :NH3+ -163:sc= -0.0824 (180deg=-0.544) USER MOD Single : A 6 LYS NZ :NH3+ -120:sc= -0.261 (180deg=-1.32) USER MOD Single : A 9 CYS SG : rot 180:sc= -0.213 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+ 168:sc= 0 (180deg=-0.05) USER MOD Single : B 2 TYR OH : rot 180:sc= 0 USER MOD Single : B 6 THR OG1 : rot -175:sc= 2.02 USER MOD Single : B 8 HIS : no HD1:sc=-0.00172 X(o=-0.0017,f=-0.017) USER MOD Single : B 9 ASN : amide:sc= -0.0623 K(o=-0.062,f=-1.2!) USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 THR OG1 : rot 180:sc= 0.095 USER MOD Single : B 16 HIS : no HD1:sc= -0.0527 X(o=-0.053,f=0) USER MOD Single : B 22 ASN : amide:sc= -0.0745 K(o=-0.075,f=-1.7!) USER MOD Single : B 25 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 THR OG1 : rot -168:sc= 1.17 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -8.646 4.393 -16.937 1.00 3.00 N ATOM 2 CA VAL A 1 -9.075 5.004 -15.684 1.00 12.15 C ATOM 3 C VAL A 1 -7.907 5.679 -14.974 1.00 13.13 C ATOM 4 O VAL A 1 -7.333 5.124 -14.037 1.00 51.43 O ATOM 5 CB VAL A 1 -9.704 3.963 -14.739 1.00 15.11 C ATOM 6 CG1 VAL A 1 -10.147 4.620 -13.441 1.00 62.31 C ATOM 7 CG2 VAL A 1 -10.871 3.264 -15.419 1.00 70.41 C ATOM 0 H1 VAL A 1 -9.477 4.199 -17.531 1.00 3.00 H new ATOM 0 H2 VAL A 1 -8.006 5.042 -17.438 1.00 3.00 H new ATOM 0 H3 VAL A 1 -8.148 3.502 -16.736 1.00 3.00 H new ATOM 0 HA VAL A 1 -9.825 5.754 -15.937 1.00 12.15 H new ATOM 0 HB VAL A 1 -8.951 3.212 -14.499 1.00 15.11 H new ATOM 0 HG11 VAL A 1 -10.589 3.869 -12.786 1.00 62.31 H new ATOM 0 HG12 VAL A 1 -9.285 5.070 -12.948 1.00 62.31 H new ATOM 0 HG13 VAL A 1 -10.885 5.392 -13.658 1.00 62.31 H new ATOM 0 HG21 VAL A 1 -11.304 2.532 -14.737 1.00 70.41 H new ATOM 0 HG22 VAL A 1 -11.628 4.000 -15.690 1.00 70.41 H new ATOM 0 HG23 VAL A 1 -10.519 2.759 -16.318 1.00 70.41 H new ATOM 17 N ALA A 2 -7.559 6.879 -15.427 1.00 4.15 N ATOM 18 CA ALA A 2 -6.462 7.633 -14.833 1.00 32.55 C ATOM 19 C ALA A 2 -6.982 8.801 -14.005 1.00 5.51 C ATOM 20 O ALA A 2 -6.701 9.962 -14.307 1.00 4.24 O ATOM 21 CB ALA A 2 -5.517 8.129 -15.917 1.00 74.12 C ATOM 0 H ALA A 2 -8.022 7.350 -16.204 1.00 4.15 H new ATOM 0 HA ALA A 2 -5.915 6.967 -14.166 1.00 32.55 H new ATOM 0 HB1 ALA A 2 -4.702 8.691 -15.460 1.00 74.12 H new ATOM 0 HB2 ALA A 2 -5.110 7.278 -16.462 1.00 74.12 H new ATOM 0 HB3 ALA A 2 -6.061 8.775 -16.606 1.00 74.12 H new ATOM 27 N ARG A 3 -7.742 8.490 -12.960 1.00 30.35 N ATOM 28 CA ARG A 3 -8.304 9.515 -12.090 1.00 24.11 C ATOM 29 C ARG A 3 -7.837 9.322 -10.651 1.00 71.42 C ATOM 30 O ARG A 3 -8.081 10.167 -9.789 1.00 32.15 O ATOM 31 CB ARG A 3 -9.832 9.485 -12.150 1.00 31.14 C ATOM 32 CG ARG A 3 -10.381 8.657 -13.302 1.00 75.10 C ATOM 33 CD ARG A 3 -11.901 8.644 -13.303 1.00 33.35 C ATOM 34 NE ARG A 3 -12.457 9.655 -14.198 1.00 15.30 N ATOM 35 CZ ARG A 3 -13.759 9.856 -14.362 1.00 60.05 C ATOM 36 NH1 ARG A 3 -14.636 9.120 -13.693 1.00 12.23 N ATOM 37 NH2 ARG A 3 -14.187 10.797 -15.194 1.00 3.34 N ATOM 0 H ARG A 3 -7.983 7.535 -12.695 1.00 30.35 H new ATOM 0 HA ARG A 3 -7.953 10.485 -12.441 1.00 24.11 H new ATOM 0 HB2 ARG A 3 -10.216 9.086 -11.211 1.00 31.14 H new ATOM 0 HB3 ARG A 3 -10.204 10.506 -12.238 1.00 31.14 H new ATOM 0 HG2 ARG A 3 -10.019 9.061 -14.247 1.00 75.10 H new ATOM 0 HG3 ARG A 3 -10.007 7.636 -13.228 1.00 75.10 H new ATOM 0 HD2 ARG A 3 -12.255 7.658 -13.605 1.00 33.35 H new ATOM 0 HD3 ARG A 3 -12.266 8.817 -12.290 1.00 33.35 H new ATOM 0 HE ARG A 3 -11.809 10.239 -14.727 1.00 15.30 H new ATOM 0 HH11 ARG A 3 -14.311 8.398 -13.051 1.00 12.23 H new ATOM 0 HH12 ARG A 3 -15.636 9.276 -13.821 1.00 12.23 H new ATOM 0 HH21 ARG A 3 -13.515 11.367 -15.708 1.00 3.34 H new ATOM 0 HH22 ARG A 3 -15.188 10.950 -15.319 1.00 3.34 H new ATOM 51 N GLY A 4 -7.165 8.203 -10.397 1.00 63.44 N ATOM 52 CA GLY A 4 -6.676 7.918 -9.061 1.00 45.23 C ATOM 53 C GLY A 4 -5.271 8.438 -8.835 1.00 41.11 C ATOM 54 O GLY A 4 -4.748 8.369 -7.723 1.00 55.32 O ATOM 0 H GLY A 4 -6.951 7.489 -11.093 1.00 63.44 H new ATOM 0 HA2 GLY A 4 -7.348 8.365 -8.328 1.00 45.23 H new ATOM 0 HA3 GLY A 4 -6.693 6.841 -8.893 1.00 45.23 H new ATOM 58 N TRP A 5 -4.657 8.958 -9.892 1.00 71.31 N ATOM 59 CA TRP A 5 -3.302 9.491 -9.804 1.00 31.33 C ATOM 60 C TRP A 5 -3.266 10.958 -10.216 1.00 73.14 C ATOM 61 O TRP A 5 -2.216 11.600 -10.173 1.00 24.33 O ATOM 62 CB TRP A 5 -2.354 8.677 -10.687 1.00 62.51 C ATOM 63 CG TRP A 5 -2.834 7.281 -10.943 1.00 34.52 C ATOM 64 CD1 TRP A 5 -3.126 6.329 -10.008 1.00 23.01 C ATOM 65 CD2 TRP A 5 -3.075 6.678 -12.220 1.00 5.24 C ATOM 66 NE1 TRP A 5 -3.535 5.171 -10.626 1.00 13.20 N ATOM 67 CE2 TRP A 5 -3.513 5.360 -11.983 1.00 11.13 C ATOM 68 CE3 TRP A 5 -2.966 7.125 -13.540 1.00 60.23 C ATOM 69 CZ2 TRP A 5 -3.839 4.487 -13.018 1.00 13.20 C ATOM 70 CZ3 TRP A 5 -3.290 6.257 -14.565 1.00 14.42 C ATOM 71 CH2 TRP A 5 -3.722 4.951 -14.300 1.00 23.12 C ATOM 0 H TRP A 5 -5.076 9.022 -10.820 1.00 71.31 H new ATOM 0 HA TRP A 5 -2.976 9.417 -8.767 1.00 31.33 H new ATOM 0 HB2 TRP A 5 -2.226 9.190 -11.640 1.00 62.51 H new ATOM 0 HB3 TRP A 5 -1.373 8.635 -10.213 1.00 62.51 H new ATOM 0 HD1 TRP A 5 -3.047 6.466 -8.940 1.00 23.01 H new ATOM 0 HE1 TRP A 5 -3.810 4.311 -10.152 1.00 13.20 H new ATOM 0 HE3 TRP A 5 -2.635 8.130 -13.755 1.00 60.23 H new ATOM 0 HZ2 TRP A 5 -4.172 3.480 -12.816 1.00 13.20 H new ATOM 0 HZ3 TRP A 5 -3.209 6.591 -15.589 1.00 14.42 H new ATOM 0 HH2 TRP A 5 -3.968 4.297 -15.124 1.00 23.12 H new ATOM 82 N LYS A 6 -4.419 11.484 -10.615 1.00 51.12 N ATOM 83 CA LYS A 6 -4.520 12.877 -11.034 1.00 44.11 C ATOM 84 C LYS A 6 -5.505 13.640 -10.154 1.00 20.31 C ATOM 85 O LYS A 6 -5.590 14.866 -10.219 1.00 2.45 O ATOM 86 CB LYS A 6 -4.958 12.960 -12.498 1.00 41.31 C ATOM 87 CG LYS A 6 -3.859 12.600 -13.483 1.00 40.12 C ATOM 88 CD LYS A 6 -3.720 11.095 -13.638 1.00 45.14 C ATOM 89 CE LYS A 6 -3.249 10.719 -15.034 1.00 61.24 C ATOM 90 NZ LYS A 6 -2.025 11.471 -15.427 1.00 75.22 N ATOM 0 H LYS A 6 -5.297 10.966 -10.657 1.00 51.12 H new ATOM 0 HA LYS A 6 -3.536 13.334 -10.929 1.00 44.11 H new ATOM 0 HB2 LYS A 6 -5.806 12.293 -12.653 1.00 41.31 H new ATOM 0 HB3 LYS A 6 -5.305 13.972 -12.708 1.00 41.31 H new ATOM 0 HG2 LYS A 6 -4.077 13.048 -14.453 1.00 40.12 H new ATOM 0 HG3 LYS A 6 -2.913 13.021 -13.143 1.00 40.12 H new ATOM 0 HD2 LYS A 6 -3.013 10.716 -12.900 1.00 45.14 H new ATOM 0 HD3 LYS A 6 -4.679 10.617 -13.435 1.00 45.14 H new ATOM 0 HE2 LYS A 6 -3.046 9.649 -15.073 1.00 61.24 H new ATOM 0 HE3 LYS A 6 -4.044 10.919 -15.752 1.00 61.24 H new ATOM 0 HZ1 LYS A 6 -2.221 12.032 -16.280 1.00 75.22 H new ATOM 0 HZ2 LYS A 6 -1.744 12.106 -14.653 1.00 75.22 H new ATOM 0 HZ3 LYS A 6 -1.254 10.801 -15.623 1.00 75.22 H new ATOM 104 N ARG A 7 -6.246 12.907 -9.329 1.00 55.10 N ATOM 105 CA ARG A 7 -7.224 13.515 -8.436 1.00 70.44 C ATOM 106 C ARG A 7 -6.629 13.735 -7.048 1.00 65.31 C ATOM 107 O ARG A 7 -7.056 14.625 -6.311 1.00 34.34 O ATOM 108 CB ARG A 7 -8.471 12.634 -8.335 1.00 72.11 C ATOM 109 CG ARG A 7 -9.487 13.131 -7.320 1.00 11.13 C ATOM 110 CD ARG A 7 -9.573 12.204 -6.118 1.00 41.32 C ATOM 111 NE ARG A 7 -9.951 12.920 -4.901 1.00 32.53 N ATOM 112 CZ ARG A 7 -10.439 12.323 -3.820 1.00 71.54 C ATOM 113 NH1 ARG A 7 -10.607 11.008 -3.802 1.00 31.43 N ATOM 114 NH2 ARG A 7 -10.759 13.042 -2.752 1.00 62.21 N ATOM 0 H ARG A 7 -6.187 11.891 -9.261 1.00 55.10 H new ATOM 0 HA ARG A 7 -7.505 14.484 -8.850 1.00 70.44 H new ATOM 0 HB2 ARG A 7 -8.946 12.578 -9.314 1.00 72.11 H new ATOM 0 HB3 ARG A 7 -8.169 11.621 -8.068 1.00 72.11 H new ATOM 0 HG2 ARG A 7 -9.212 14.133 -6.989 1.00 11.13 H new ATOM 0 HG3 ARG A 7 -10.466 13.208 -7.792 1.00 11.13 H new ATOM 0 HD2 ARG A 7 -10.302 11.418 -6.317 1.00 41.32 H new ATOM 0 HD3 ARG A 7 -8.610 11.715 -5.967 1.00 41.32 H new ATOM 0 HE ARG A 7 -9.834 13.933 -4.881 1.00 32.53 H new ATOM 0 HH11 ARG A 7 -10.361 10.451 -4.620 1.00 31.43 H new ATOM 0 HH12 ARG A 7 -10.982 10.553 -2.970 1.00 31.43 H new ATOM 0 HH21 ARG A 7 -10.630 14.054 -2.761 1.00 62.21 H new ATOM 0 HH22 ARG A 7 -11.134 12.583 -1.922 1.00 62.21 H new ATOM 128 N LYS A 8 -5.643 12.917 -6.696 1.00 65.41 N ATOM 129 CA LYS A 8 -4.989 13.021 -5.397 1.00 33.23 C ATOM 130 C LYS A 8 -3.831 14.012 -5.450 1.00 42.34 C ATOM 131 O LYS A 8 -3.969 15.164 -5.033 1.00 55.31 O ATOM 132 CB LYS A 8 -4.479 11.650 -4.948 1.00 61.22 C ATOM 133 CG LYS A 8 -5.452 10.904 -4.050 1.00 63.15 C ATOM 134 CD LYS A 8 -6.297 9.918 -4.839 1.00 55.31 C ATOM 135 CE LYS A 8 -7.660 9.715 -4.198 1.00 31.35 C ATOM 136 NZ LYS A 8 -7.558 9.023 -2.883 1.00 3.04 N ATOM 0 H LYS A 8 -5.279 12.174 -7.293 1.00 65.41 H new ATOM 0 HA LYS A 8 -5.723 13.383 -4.677 1.00 33.23 H new ATOM 0 HB2 LYS A 8 -4.271 11.042 -5.829 1.00 61.22 H new ATOM 0 HB3 LYS A 8 -3.534 11.778 -4.419 1.00 61.22 H new ATOM 0 HG2 LYS A 8 -4.899 10.372 -3.276 1.00 63.15 H new ATOM 0 HG3 LYS A 8 -6.102 11.618 -3.544 1.00 63.15 H new ATOM 0 HD2 LYS A 8 -6.424 10.281 -5.859 1.00 55.31 H new ATOM 0 HD3 LYS A 8 -5.778 8.962 -4.903 1.00 55.31 H new ATOM 0 HE2 LYS A 8 -8.145 10.682 -4.063 1.00 31.35 H new ATOM 0 HE3 LYS A 8 -8.293 9.132 -4.867 1.00 31.35 H new ATOM 0 HZ1 LYS A 8 -8.509 8.904 -2.479 1.00 3.04 H new ATOM 0 HZ2 LYS A 8 -7.118 8.090 -3.015 1.00 3.04 H new ATOM 0 HZ3 LYS A 8 -6.976 9.592 -2.236 1.00 3.04 H new ATOM 150 N CYS A 9 -2.693 13.559 -5.963 1.00 42.21 N ATOM 151 CA CYS A 9 -1.511 14.408 -6.071 1.00 73.44 C ATOM 152 C CYS A 9 -1.001 14.451 -7.507 1.00 73.41 C ATOM 153 O CYS A 9 -0.900 13.429 -8.186 1.00 1.34 O ATOM 154 CB CYS A 9 -0.408 13.901 -5.140 1.00 43.22 C ATOM 155 SG CYS A 9 0.267 15.167 -4.038 1.00 23.15 S ATOM 0 H CYS A 9 -2.563 12.609 -6.311 1.00 42.21 H new ATOM 0 HA CYS A 9 -1.791 15.419 -5.775 1.00 73.44 H new ATOM 0 HB2 CYS A 9 -0.803 13.083 -4.537 1.00 43.22 H new ATOM 0 HB3 CYS A 9 0.402 13.490 -5.743 1.00 43.22 H new ATOM 0 HG CYS A 9 1.191 14.642 -3.289 1.00 23.15 H new ATOM 161 N PRO A 10 -0.673 15.661 -7.983 1.00 10.21 N ATOM 162 CA PRO A 10 -0.168 15.867 -9.344 1.00 21.55 C ATOM 163 C PRO A 10 1.236 15.303 -9.534 1.00 63.52 C ATOM 164 O PRO A 10 2.033 15.840 -10.304 1.00 50.34 O ATOM 165 CB PRO A 10 -0.157 17.390 -9.492 1.00 63.02 C ATOM 166 CG PRO A 10 -0.035 17.906 -8.099 1.00 20.45 C ATOM 167 CD PRO A 10 -0.768 16.922 -7.228 1.00 13.23 C ATOM 0 HA PRO A 10 -0.781 15.357 -10.087 1.00 21.55 H new ATOM 0 HB2 PRO A 10 0.677 17.721 -10.111 1.00 63.02 H new ATOM 0 HB3 PRO A 10 -1.070 17.748 -9.968 1.00 63.02 H new ATOM 0 HG2 PRO A 10 1.011 17.986 -7.803 1.00 20.45 H new ATOM 0 HG3 PRO A 10 -0.468 18.902 -8.012 1.00 20.45 H new ATOM 0 HD2 PRO A 10 -0.308 16.836 -6.243 1.00 13.23 H new ATOM 0 HD3 PRO A 10 -1.805 17.219 -7.071 1.00 13.23 H new ATOM 175 N LEU A 11 1.532 14.217 -8.828 1.00 43.30 N ATOM 176 CA LEU A 11 2.841 13.580 -8.919 1.00 14.30 C ATOM 177 C LEU A 11 2.707 12.119 -9.335 1.00 75.21 C ATOM 178 O LEU A 11 3.547 11.589 -10.063 1.00 54.23 O ATOM 179 CB LEU A 11 3.571 13.676 -7.578 1.00 14.14 C ATOM 180 CG LEU A 11 3.781 15.087 -7.028 1.00 53.15 C ATOM 181 CD1 LEU A 11 4.138 15.036 -5.550 1.00 13.05 C ATOM 182 CD2 LEU A 11 4.863 15.811 -7.815 1.00 1.34 C ATOM 0 H LEU A 11 0.884 13.760 -8.187 1.00 43.30 H new ATOM 0 HA LEU A 11 3.421 14.103 -9.679 1.00 14.30 H new ATOM 0 HB2 LEU A 11 3.012 13.100 -6.841 1.00 14.14 H new ATOM 0 HB3 LEU A 11 4.546 13.200 -7.683 1.00 14.14 H new ATOM 0 HG LEU A 11 2.849 15.641 -7.137 1.00 53.15 H new ATOM 0 HD11 LEU A 11 4.284 16.049 -5.176 1.00 13.05 H new ATOM 0 HD12 LEU A 11 3.330 14.558 -4.997 1.00 13.05 H new ATOM 0 HD13 LEU A 11 5.057 14.464 -5.417 1.00 13.05 H new ATOM 0 HD21 LEU A 11 4.999 16.814 -7.409 1.00 1.34 H new ATOM 0 HD22 LEU A 11 5.800 15.259 -7.739 1.00 1.34 H new ATOM 0 HD23 LEU A 11 4.567 15.880 -8.862 1.00 1.34 H new ATOM 194 N PHE A 12 1.644 11.471 -8.869 1.00 11.10 N ATOM 195 CA PHE A 12 1.399 10.070 -9.193 1.00 45.12 C ATOM 196 C PHE A 12 0.850 9.929 -10.609 1.00 24.24 C ATOM 197 O PHE A 12 0.832 8.835 -11.173 1.00 43.41 O ATOM 198 CB PHE A 12 0.419 9.457 -8.191 1.00 73.22 C ATOM 199 CG PHE A 12 0.735 8.030 -7.841 1.00 64.13 C ATOM 200 CD1 PHE A 12 -0.101 7.002 -8.246 1.00 44.41 C ATOM 201 CD2 PHE A 12 1.868 7.718 -7.107 1.00 32.40 C ATOM 202 CE1 PHE A 12 0.185 5.689 -7.926 1.00 73.10 C ATOM 203 CE2 PHE A 12 2.161 6.406 -6.785 1.00 63.20 C ATOM 204 CZ PHE A 12 1.318 5.391 -7.194 1.00 72.30 C ATOM 0 H PHE A 12 0.938 11.894 -8.266 1.00 11.10 H new ATOM 0 HA PHE A 12 2.348 9.537 -9.135 1.00 45.12 H new ATOM 0 HB2 PHE A 12 0.421 10.055 -7.280 1.00 73.22 H new ATOM 0 HB3 PHE A 12 -0.589 9.507 -8.603 1.00 73.22 H new ATOM 0 HD1 PHE A 12 -0.987 7.230 -8.819 1.00 44.41 H new ATOM 0 HD2 PHE A 12 2.529 8.508 -6.783 1.00 32.40 H new ATOM 0 HE1 PHE A 12 -0.476 4.897 -8.247 1.00 73.10 H new ATOM 0 HE2 PHE A 12 3.048 6.175 -6.214 1.00 63.20 H new ATOM 0 HZ PHE A 12 1.544 4.366 -6.942 1.00 72.30 H new ATOM 214 N GLY A 13 0.401 11.043 -11.180 1.00 72.34 N ATOM 215 CA GLY A 13 -0.143 11.022 -12.524 1.00 41.32 C ATOM 216 C GLY A 13 0.645 11.893 -13.482 1.00 12.12 C ATOM 217 O GLY A 13 1.587 11.428 -14.125 1.00 12.04 O ATOM 0 H GLY A 13 0.405 11.960 -10.734 1.00 72.34 H new ATOM 0 HA2 GLY A 13 -0.151 9.996 -12.893 1.00 41.32 H new ATOM 0 HA3 GLY A 13 -1.179 11.360 -12.499 1.00 41.32 H new ATOM 221 N LYS A 14 0.260 13.161 -13.581 1.00 53.11 N ATOM 222 CA LYS A 14 0.936 14.100 -14.467 1.00 1.32 C ATOM 223 C LYS A 14 2.412 14.227 -14.102 1.00 31.24 C ATOM 224 O LYS A 14 3.231 14.643 -14.922 1.00 25.43 O ATOM 225 CB LYS A 14 0.263 15.473 -14.399 1.00 63.12 C ATOM 226 CG LYS A 14 0.149 16.024 -12.989 1.00 43.11 C ATOM 227 CD LYS A 14 -1.249 16.552 -12.708 1.00 52.20 C ATOM 228 CE LYS A 14 -1.445 17.945 -13.286 1.00 73.23 C ATOM 229 NZ LYS A 14 -2.487 18.711 -12.547 1.00 34.31 N ATOM 0 H LYS A 14 -0.518 13.562 -13.057 1.00 53.11 H new ATOM 0 HA LYS A 14 0.863 13.717 -15.485 1.00 1.32 H new ATOM 0 HB2 LYS A 14 0.828 16.176 -15.010 1.00 63.12 H new ATOM 0 HB3 LYS A 14 -0.734 15.402 -14.834 1.00 63.12 H new ATOM 0 HG2 LYS A 14 0.395 15.242 -12.271 1.00 43.11 H new ATOM 0 HG3 LYS A 14 0.876 16.824 -12.850 1.00 43.11 H new ATOM 0 HD2 LYS A 14 -1.988 15.873 -13.134 1.00 52.20 H new ATOM 0 HD3 LYS A 14 -1.421 16.576 -11.632 1.00 52.20 H new ATOM 0 HE2 LYS A 14 -0.501 18.489 -13.251 1.00 73.23 H new ATOM 0 HE3 LYS A 14 -1.728 17.866 -14.336 1.00 73.23 H new ATOM 0 HZ1 LYS A 14 -2.591 19.655 -12.972 1.00 34.31 H new ATOM 0 HZ2 LYS A 14 -3.394 18.205 -12.602 1.00 34.31 H new ATOM 0 HZ3 LYS A 14 -2.205 18.809 -11.551 1.00 34.31 H new ATOM 243 N GLY A 15 2.745 13.864 -12.867 1.00 41.41 N ATOM 244 CA GLY A 15 4.122 13.944 -12.417 1.00 23.24 C ATOM 245 C GLY A 15 5.082 13.246 -13.360 1.00 21.40 C ATOM 246 O GLY A 15 6.252 13.612 -13.449 1.00 31.23 O ATOM 0 H GLY A 15 2.086 13.516 -12.171 1.00 41.41 H new ATOM 0 HA2 GLY A 15 4.409 14.991 -12.321 1.00 23.24 H new ATOM 0 HA3 GLY A 15 4.203 13.499 -11.425 1.00 23.24 H new ATOM 250 N GLY A 16 4.585 12.232 -14.064 1.00 43.50 N ATOM 251 CA GLY A 16 5.421 11.495 -14.994 1.00 40.15 C ATOM 252 C GLY A 16 6.120 12.401 -15.988 1.00 23.35 C ATOM 253 O GLY A 16 7.199 12.077 -16.482 1.00 62.14 O ATOM 0 H GLY A 16 3.619 11.909 -14.007 1.00 43.50 H new ATOM 0 HA2 GLY A 16 6.167 10.928 -14.437 1.00 40.15 H new ATOM 0 HA3 GLY A 16 4.809 10.772 -15.534 1.00 40.15 H new TER 257 GLY A 16 ATOM 258 N LYS B 1 -1.655 10.288 -0.989 1.00 33.33 N ATOM 259 CA LYS B 1 -2.561 9.355 -0.329 1.00 43.41 C ATOM 260 C LYS B 1 -3.316 8.514 -1.352 1.00 34.10 C ATOM 261 O LYS B 1 -4.477 8.785 -1.658 1.00 12.42 O ATOM 262 CB LYS B 1 -3.554 10.116 0.553 1.00 54.13 C ATOM 263 CG LYS B 1 -4.516 9.213 1.304 1.00 20.44 C ATOM 264 CD LYS B 1 -4.639 9.618 2.763 1.00 53.34 C ATOM 265 CE LYS B 1 -5.033 8.439 3.639 1.00 13.03 C ATOM 266 NZ LYS B 1 -3.894 7.506 3.858 1.00 73.45 N ATOM 0 H1 LYS B 1 -1.152 10.849 -0.272 1.00 33.33 H new ATOM 0 H2 LYS B 1 -0.966 9.758 -1.560 1.00 33.33 H new ATOM 0 H3 LYS B 1 -2.200 10.923 -1.606 1.00 33.33 H new ATOM 0 HA LYS B 1 -1.965 8.688 0.295 1.00 43.41 H new ATOM 0 HB2 LYS B 1 -3.000 10.720 1.271 1.00 54.13 H new ATOM 0 HB3 LYS B 1 -4.126 10.805 -0.069 1.00 54.13 H new ATOM 0 HG2 LYS B 1 -5.497 9.252 0.831 1.00 20.44 H new ATOM 0 HG3 LYS B 1 -4.172 8.181 1.240 1.00 20.44 H new ATOM 0 HD2 LYS B 1 -3.690 10.028 3.109 1.00 53.34 H new ATOM 0 HD3 LYS B 1 -5.383 10.409 2.860 1.00 53.34 H new ATOM 0 HE2 LYS B 1 -5.393 8.805 4.601 1.00 13.03 H new ATOM 0 HE3 LYS B 1 -5.859 7.901 3.174 1.00 13.03 H new ATOM 0 HZ1 LYS B 1 -4.136 6.834 4.614 1.00 73.45 H new ATOM 0 HZ2 LYS B 1 -3.699 6.984 2.980 1.00 73.45 H new ATOM 0 HZ3 LYS B 1 -3.050 8.047 4.134 1.00 73.45 H new ATOM 280 N TYR B 2 -2.650 7.491 -1.877 1.00 71.41 N ATOM 281 CA TYR B 2 -3.258 6.609 -2.867 1.00 44.11 C ATOM 282 C TYR B 2 -3.590 5.251 -2.255 1.00 13.45 C ATOM 283 O TYR B 2 -3.046 4.226 -2.664 1.00 0.45 O ATOM 284 CB TYR B 2 -2.322 6.428 -4.062 1.00 34.12 C ATOM 285 CG TYR B 2 -0.870 6.261 -3.675 1.00 11.41 C ATOM 286 CD1 TYR B 2 -0.044 7.366 -3.506 1.00 71.23 C ATOM 287 CD2 TYR B 2 -0.324 4.999 -3.480 1.00 72.45 C ATOM 288 CE1 TYR B 2 1.284 7.218 -3.152 1.00 23.13 C ATOM 289 CE2 TYR B 2 1.002 4.841 -3.125 1.00 44.34 C ATOM 290 CZ TYR B 2 1.801 5.954 -2.963 1.00 72.41 C ATOM 291 OH TYR B 2 3.123 5.801 -2.610 1.00 13.13 O ATOM 0 H TYR B 2 -1.689 7.252 -1.633 1.00 71.41 H new ATOM 0 HA TYR B 2 -4.185 7.070 -3.207 1.00 44.11 H new ATOM 0 HB2 TYR B 2 -2.640 5.555 -4.633 1.00 34.12 H new ATOM 0 HB3 TYR B 2 -2.417 7.291 -4.721 1.00 34.12 H new ATOM 0 HD1 TYR B 2 -0.447 8.357 -3.654 1.00 71.23 H new ATOM 0 HD2 TYR B 2 -0.947 4.126 -3.608 1.00 72.45 H new ATOM 0 HE1 TYR B 2 1.913 8.087 -3.024 1.00 23.13 H new ATOM 0 HE2 TYR B 2 1.410 3.852 -2.975 1.00 44.34 H new ATOM 0 HH TYR B 2 3.328 4.847 -2.515 1.00 13.13 H new ATOM 301 N GLU B 3 -4.488 5.254 -1.275 1.00 14.53 N ATOM 302 CA GLU B 3 -4.893 4.023 -0.608 1.00 63.00 C ATOM 303 C GLU B 3 -6.375 3.743 -0.837 1.00 31.50 C ATOM 304 O GLU B 3 -6.928 2.787 -0.290 1.00 20.13 O ATOM 305 CB GLU B 3 -4.606 4.112 0.892 1.00 55.03 C ATOM 306 CG GLU B 3 -3.138 3.926 1.243 1.00 60.10 C ATOM 307 CD GLU B 3 -2.780 2.475 1.500 1.00 53.42 C ATOM 308 OE1 GLU B 3 -3.436 1.845 2.357 1.00 12.32 O ATOM 309 OE2 GLU B 3 -1.843 1.971 0.847 1.00 34.51 O ATOM 0 H GLU B 3 -4.948 6.095 -0.926 1.00 14.53 H new ATOM 0 HA GLU B 3 -4.316 3.202 -1.033 1.00 63.00 H new ATOM 0 HB2 GLU B 3 -4.939 5.082 1.260 1.00 55.03 H new ATOM 0 HB3 GLU B 3 -5.194 3.355 1.411 1.00 55.03 H new ATOM 0 HG2 GLU B 3 -2.522 4.310 0.430 1.00 60.10 H new ATOM 0 HG3 GLU B 3 -2.902 4.517 2.128 1.00 60.10 H new ATOM 316 N ILE B 4 -7.012 4.581 -1.647 1.00 34.54 N ATOM 317 CA ILE B 4 -8.429 4.423 -1.949 1.00 32.12 C ATOM 318 C ILE B 4 -8.653 4.223 -3.444 1.00 24.12 C ATOM 319 O ILE B 4 -9.569 3.510 -3.857 1.00 40.22 O ATOM 320 CB ILE B 4 -9.244 5.641 -1.478 1.00 61.25 C ATOM 321 CG1 ILE B 4 -8.983 5.913 0.006 1.00 2.14 C ATOM 322 CG2 ILE B 4 -10.727 5.414 -1.726 1.00 24.32 C ATOM 323 CD1 ILE B 4 -8.161 7.159 0.255 1.00 62.12 C ATOM 0 H ILE B 4 -6.569 5.377 -2.106 1.00 34.54 H new ATOM 0 HA ILE B 4 -8.770 3.538 -1.411 1.00 32.12 H new ATOM 0 HB ILE B 4 -8.929 6.514 -2.050 1.00 61.25 H new ATOM 0 HG12 ILE B 4 -9.938 6.008 0.523 1.00 2.14 H new ATOM 0 HG13 ILE B 4 -8.469 5.055 0.440 1.00 2.14 H new ATOM 0 HG21 ILE B 4 -11.290 6.284 -1.388 1.00 24.32 H new ATOM 0 HG22 ILE B 4 -10.899 5.263 -2.792 1.00 24.32 H new ATOM 0 HG23 ILE B 4 -11.057 4.532 -1.177 1.00 24.32 H new ATOM 0 HD11 ILE B 4 -8.015 7.290 1.327 1.00 62.12 H new ATOM 0 HD12 ILE B 4 -7.192 7.059 -0.234 1.00 62.12 H new ATOM 0 HD13 ILE B 4 -8.683 8.026 -0.149 1.00 62.12 H new ATOM 335 N THR B 5 -7.810 4.856 -4.253 1.00 2.44 N ATOM 336 CA THR B 5 -7.917 4.748 -5.703 1.00 55.54 C ATOM 337 C THR B 5 -6.982 3.672 -6.244 1.00 33.51 C ATOM 338 O THR B 5 -6.954 3.405 -7.446 1.00 50.03 O ATOM 339 CB THR B 5 -7.590 6.088 -6.391 1.00 21.34 C ATOM 340 OG1 THR B 5 -7.097 7.026 -5.429 1.00 25.01 O ATOM 341 CG2 THR B 5 -8.823 6.656 -7.078 1.00 3.43 C ATOM 0 H THR B 5 -7.046 5.449 -3.929 1.00 2.44 H new ATOM 0 HA THR B 5 -8.949 4.475 -5.925 1.00 55.54 H new ATOM 0 HB THR B 5 -6.824 5.908 -7.145 1.00 21.34 H new ATOM 0 HG1 THR B 5 -6.152 6.842 -5.248 1.00 25.01 H new ATOM 0 HG21 THR B 5 -8.569 7.602 -7.557 1.00 3.43 H new ATOM 0 HG22 THR B 5 -9.177 5.952 -7.831 1.00 3.43 H new ATOM 0 HG23 THR B 5 -9.607 6.822 -6.339 1.00 3.43 H new ATOM 349 N THR B 6 -6.218 3.054 -5.348 1.00 12.11 N ATOM 350 CA THR B 6 -5.282 2.006 -5.736 1.00 55.11 C ATOM 351 C THR B 6 -5.607 0.691 -5.036 1.00 65.21 C ATOM 352 O THR B 6 -5.343 -0.388 -5.568 1.00 45.22 O ATOM 353 CB THR B 6 -3.829 2.402 -5.410 1.00 72.51 C ATOM 354 OG1 THR B 6 -2.968 2.042 -6.496 1.00 24.34 O ATOM 355 CG2 THR B 6 -3.357 1.721 -4.134 1.00 12.21 C ATOM 0 H THR B 6 -6.229 3.261 -4.349 1.00 12.11 H new ATOM 0 HA THR B 6 -5.383 1.875 -6.813 1.00 55.11 H new ATOM 0 HB THR B 6 -3.794 3.481 -5.262 1.00 72.51 H new ATOM 0 HG1 THR B 6 -2.037 2.227 -6.251 1.00 24.34 H new ATOM 0 HG21 THR B 6 -2.329 2.015 -3.924 1.00 12.21 H new ATOM 0 HG22 THR B 6 -3.997 2.020 -3.304 1.00 12.21 H new ATOM 0 HG23 THR B 6 -3.406 0.639 -4.259 1.00 12.21 H new ATOM 363 N ILE B 7 -6.184 0.789 -3.843 1.00 31.12 N ATOM 364 CA ILE B 7 -6.547 -0.394 -3.072 1.00 43.23 C ATOM 365 C ILE B 7 -7.414 -1.341 -3.894 1.00 25.34 C ATOM 366 O ILE B 7 -7.235 -2.559 -3.852 1.00 55.21 O ATOM 367 CB ILE B 7 -7.301 -0.016 -1.783 1.00 41.44 C ATOM 368 CG1 ILE B 7 -7.864 -1.269 -1.109 1.00 4.24 C ATOM 369 CG2 ILE B 7 -8.415 0.974 -2.091 1.00 12.31 C ATOM 370 CD1 ILE B 7 -9.301 -1.562 -1.484 1.00 15.55 C ATOM 0 H ILE B 7 -6.410 1.674 -3.390 1.00 31.12 H new ATOM 0 HA ILE B 7 -5.616 -0.895 -2.806 1.00 43.23 H new ATOM 0 HB ILE B 7 -6.600 0.459 -1.096 1.00 41.44 H new ATOM 0 HG12 ILE B 7 -7.245 -2.125 -1.377 1.00 4.24 H new ATOM 0 HG13 ILE B 7 -7.796 -1.152 -0.027 1.00 4.24 H new ATOM 0 HG21 ILE B 7 -8.938 1.231 -1.170 1.00 12.31 H new ATOM 0 HG22 ILE B 7 -7.989 1.876 -2.530 1.00 12.31 H new ATOM 0 HG23 ILE B 7 -9.117 0.525 -2.794 1.00 12.31 H new ATOM 0 HD11 ILE B 7 -9.635 -2.463 -0.970 1.00 15.55 H new ATOM 0 HD12 ILE B 7 -9.932 -0.723 -1.191 1.00 15.55 H new ATOM 0 HD13 ILE B 7 -9.373 -1.711 -2.561 1.00 15.55 H new ATOM 382 N HIS B 8 -8.355 -0.774 -4.644 1.00 74.31 N ATOM 383 CA HIS B 8 -9.249 -1.569 -5.479 1.00 53.52 C ATOM 384 C HIS B 8 -8.824 -1.504 -6.943 1.00 10.22 C ATOM 385 O HIS B 8 -9.427 -2.145 -7.803 1.00 43.21 O ATOM 386 CB HIS B 8 -10.688 -1.077 -5.332 1.00 24.50 C ATOM 387 CG HIS B 8 -11.605 -2.089 -4.716 1.00 64.43 C ATOM 388 ND1 HIS B 8 -12.317 -1.854 -3.558 1.00 51.04 N ATOM 389 CD2 HIS B 8 -11.927 -3.346 -5.104 1.00 11.32 C ATOM 390 CE1 HIS B 8 -13.035 -2.922 -3.259 1.00 15.41 C ATOM 391 NE2 HIS B 8 -12.817 -3.841 -4.183 1.00 70.10 N ATOM 0 H HIS B 8 -8.518 0.232 -4.690 1.00 74.31 H new ATOM 0 HA HIS B 8 -9.191 -2.606 -5.147 1.00 53.52 H new ATOM 0 HB2 HIS B 8 -10.694 -0.174 -4.722 1.00 24.50 H new ATOM 0 HB3 HIS B 8 -11.072 -0.801 -6.314 1.00 24.50 H new ATOM 0 HD2 HIS B 8 -11.553 -3.863 -5.976 1.00 11.32 H new ATOM 0 HE1 HIS B 8 -13.688 -3.026 -2.405 1.00 15.41 H new ATOM 0 HE2 HIS B 8 -13.241 -4.768 -4.208 1.00 70.10 H new ATOM 399 N ASN B 9 -7.784 -0.724 -7.220 1.00 63.41 N ATOM 400 CA ASN B 9 -7.280 -0.574 -8.580 1.00 63.24 C ATOM 401 C ASN B 9 -5.982 -1.354 -8.768 1.00 43.41 C ATOM 402 O ASN B 9 -5.335 -1.259 -9.811 1.00 14.11 O ATOM 403 CB ASN B 9 -7.053 0.904 -8.902 1.00 53.12 C ATOM 404 CG ASN B 9 -7.130 1.191 -10.390 1.00 73.43 C ATOM 405 OD1 ASN B 9 -7.915 0.576 -11.111 1.00 21.30 O ATOM 406 ND2 ASN B 9 -6.313 2.128 -10.855 1.00 43.14 N ATOM 0 H ASN B 9 -7.274 -0.186 -6.520 1.00 63.41 H new ATOM 0 HA ASN B 9 -8.027 -0.977 -9.265 1.00 63.24 H new ATOM 0 HB2 ASN B 9 -7.797 1.505 -8.380 1.00 53.12 H new ATOM 0 HB3 ASN B 9 -6.076 1.209 -8.526 1.00 53.12 H new ATOM 0 HD21 ASN B 9 -6.320 2.364 -11.847 1.00 43.14 H new ATOM 0 HD22 ASN B 9 -5.679 2.612 -10.220 1.00 43.14 H new ATOM 413 N LEU B 10 -5.608 -2.123 -7.752 1.00 13.23 N ATOM 414 CA LEU B 10 -4.387 -2.920 -7.805 1.00 42.34 C ATOM 415 C LEU B 10 -4.658 -4.292 -8.413 1.00 45.24 C ATOM 416 O LEU B 10 -3.809 -4.855 -9.104 1.00 40.12 O ATOM 417 CB LEU B 10 -3.796 -3.078 -6.402 1.00 3.44 C ATOM 418 CG LEU B 10 -4.451 -4.136 -5.514 1.00 0.11 C ATOM 419 CD1 LEU B 10 -3.764 -5.481 -5.693 1.00 33.44 C ATOM 420 CD2 LEU B 10 -4.414 -3.706 -4.055 1.00 71.20 C ATOM 0 H LEU B 10 -6.132 -2.212 -6.882 1.00 13.23 H new ATOM 0 HA LEU B 10 -3.669 -2.398 -8.438 1.00 42.34 H new ATOM 0 HB2 LEU B 10 -2.738 -3.319 -6.500 1.00 3.44 H new ATOM 0 HB3 LEU B 10 -3.858 -2.116 -5.893 1.00 3.44 H new ATOM 0 HG LEU B 10 -5.494 -4.240 -5.814 1.00 0.11 H new ATOM 0 HD11 LEU B 10 -4.243 -6.222 -5.053 1.00 33.44 H new ATOM 0 HD12 LEU B 10 -3.843 -5.794 -6.734 1.00 33.44 H new ATOM 0 HD13 LEU B 10 -2.713 -5.392 -5.420 1.00 33.44 H new ATOM 0 HD21 LEU B 10 -4.885 -4.471 -3.438 1.00 71.20 H new ATOM 0 HD22 LEU B 10 -3.379 -3.573 -3.741 1.00 71.20 H new ATOM 0 HD23 LEU B 10 -4.952 -2.765 -3.939 1.00 71.20 H new ATOM 432 N PHE B 11 -5.848 -4.824 -8.153 1.00 43.02 N ATOM 433 CA PHE B 11 -6.232 -6.129 -8.675 1.00 30.43 C ATOM 434 C PHE B 11 -6.034 -6.191 -10.186 1.00 0.23 C ATOM 435 O PHE B 11 -5.372 -7.092 -10.701 1.00 31.43 O ATOM 436 CB PHE B 11 -7.692 -6.432 -8.328 1.00 32.21 C ATOM 437 CG PHE B 11 -7.854 -7.574 -7.365 1.00 44.50 C ATOM 438 CD1 PHE B 11 -7.012 -7.702 -6.273 1.00 51.42 C ATOM 439 CD2 PHE B 11 -8.851 -8.519 -7.553 1.00 13.10 C ATOM 440 CE1 PHE B 11 -7.159 -8.751 -5.385 1.00 65.15 C ATOM 441 CE2 PHE B 11 -9.003 -9.570 -6.668 1.00 10.53 C ATOM 442 CZ PHE B 11 -8.156 -9.686 -5.583 1.00 15.43 C ATOM 0 H PHE B 11 -6.563 -4.371 -7.584 1.00 43.02 H new ATOM 0 HA PHE B 11 -5.592 -6.880 -8.211 1.00 30.43 H new ATOM 0 HB2 PHE B 11 -8.149 -5.539 -7.901 1.00 32.21 H new ATOM 0 HB3 PHE B 11 -8.235 -6.660 -9.245 1.00 32.21 H new ATOM 0 HD1 PHE B 11 -6.231 -6.973 -6.113 1.00 51.42 H new ATOM 0 HD2 PHE B 11 -9.516 -8.433 -8.400 1.00 13.10 H new ATOM 0 HE1 PHE B 11 -6.495 -8.839 -4.538 1.00 65.15 H new ATOM 0 HE2 PHE B 11 -9.783 -10.300 -6.825 1.00 10.53 H new ATOM 0 HZ PHE B 11 -8.273 -10.507 -4.891 1.00 15.43 H new ATOM 452 N ARG B 12 -6.612 -5.224 -10.892 1.00 21.34 N ATOM 453 CA ARG B 12 -6.501 -5.168 -12.345 1.00 24.42 C ATOM 454 C ARG B 12 -5.041 -5.226 -12.782 1.00 54.24 C ATOM 455 O ARG B 12 -4.706 -5.845 -13.791 1.00 0.23 O ATOM 456 CB ARG B 12 -7.155 -3.893 -12.879 1.00 4.11 C ATOM 457 CG ARG B 12 -8.668 -3.876 -12.732 1.00 33.25 C ATOM 458 CD ARG B 12 -9.155 -2.564 -12.140 1.00 43.24 C ATOM 459 NE ARG B 12 -10.602 -2.557 -11.939 1.00 31.14 N ATOM 460 CZ ARG B 12 -11.481 -2.447 -12.931 1.00 54.44 C ATOM 461 NH1 ARG B 12 -11.060 -2.334 -14.183 1.00 41.22 N ATOM 462 NH2 ARG B 12 -12.781 -2.448 -12.669 1.00 34.20 N ATOM 0 H ARG B 12 -7.162 -4.469 -10.481 1.00 21.34 H new ATOM 0 HA ARG B 12 -7.019 -6.034 -12.757 1.00 24.42 H new ATOM 0 HB2 ARG B 12 -6.738 -3.034 -12.354 1.00 4.11 H new ATOM 0 HB3 ARG B 12 -6.900 -3.778 -13.932 1.00 4.11 H new ATOM 0 HG2 ARG B 12 -9.131 -4.031 -13.707 1.00 33.25 H new ATOM 0 HG3 ARG B 12 -8.982 -4.703 -12.095 1.00 33.25 H new ATOM 0 HD2 ARG B 12 -8.656 -2.389 -11.187 1.00 43.24 H new ATOM 0 HD3 ARG B 12 -8.877 -1.743 -12.801 1.00 43.24 H new ATOM 0 HE ARG B 12 -10.957 -2.641 -10.987 1.00 31.14 H new ATOM 0 HH11 ARG B 12 -10.061 -2.331 -14.387 1.00 41.22 H new ATOM 0 HH12 ARG B 12 -11.736 -2.250 -14.943 1.00 41.22 H new ATOM 0 HH21 ARG B 12 -13.107 -2.533 -11.706 1.00 34.20 H new ATOM 0 HH22 ARG B 12 -13.455 -2.364 -13.430 1.00 34.20 H new ATOM 476 N LYS B 13 -4.173 -4.575 -12.013 1.00 41.41 N ATOM 477 CA LYS B 13 -2.748 -4.550 -12.319 1.00 71.32 C ATOM 478 C LYS B 13 -1.934 -5.124 -11.163 1.00 71.41 C ATOM 479 O LYS B 13 -1.034 -4.468 -10.638 1.00 52.01 O ATOM 480 CB LYS B 13 -2.292 -3.119 -12.615 1.00 21.42 C ATOM 481 CG LYS B 13 -3.236 -2.359 -13.532 1.00 61.54 C ATOM 482 CD LYS B 13 -3.318 -3.002 -14.906 1.00 74.02 C ATOM 483 CE LYS B 13 -3.831 -2.022 -15.950 1.00 72.05 C ATOM 484 NZ LYS B 13 -4.311 -2.719 -17.176 1.00 61.02 N ATOM 0 H LYS B 13 -4.433 -4.058 -11.173 1.00 41.41 H new ATOM 0 HA LYS B 13 -2.581 -5.167 -13.202 1.00 71.32 H new ATOM 0 HB2 LYS B 13 -2.195 -2.575 -11.675 1.00 21.42 H new ATOM 0 HB3 LYS B 13 -1.302 -3.148 -13.070 1.00 21.42 H new ATOM 0 HG2 LYS B 13 -4.230 -2.325 -13.085 1.00 61.54 H new ATOM 0 HG3 LYS B 13 -2.896 -1.328 -13.632 1.00 61.54 H new ATOM 0 HD2 LYS B 13 -2.333 -3.364 -15.199 1.00 74.02 H new ATOM 0 HD3 LYS B 13 -3.977 -3.869 -14.864 1.00 74.02 H new ATOM 0 HE2 LYS B 13 -4.643 -1.432 -15.526 1.00 72.05 H new ATOM 0 HE3 LYS B 13 -3.036 -1.325 -16.216 1.00 72.05 H new ATOM 0 HZ1 LYS B 13 -4.652 -2.017 -17.863 1.00 61.02 H new ATOM 0 HZ2 LYS B 13 -3.529 -3.262 -17.595 1.00 61.02 H new ATOM 0 HZ3 LYS B 13 -5.087 -3.365 -16.927 1.00 61.02 H new ATOM 498 N LEU B 14 -2.255 -6.353 -10.772 1.00 41.14 N ATOM 499 CA LEU B 14 -1.552 -7.016 -9.679 1.00 4.11 C ATOM 500 C LEU B 14 -0.045 -6.814 -9.798 1.00 70.23 C ATOM 501 O LEU B 14 0.661 -6.718 -8.794 1.00 41.11 O ATOM 502 CB LEU B 14 -1.879 -8.511 -9.669 1.00 12.22 C ATOM 503 CG LEU B 14 -1.565 -9.275 -10.957 1.00 63.05 C ATOM 504 CD1 LEU B 14 -0.223 -9.980 -10.845 1.00 0.11 C ATOM 505 CD2 LEU B 14 -2.670 -10.273 -11.267 1.00 30.24 C ATOM 0 H LEU B 14 -2.997 -6.910 -11.195 1.00 41.14 H new ATOM 0 HA LEU B 14 -1.886 -6.571 -8.742 1.00 4.11 H new ATOM 0 HB2 LEU B 14 -1.330 -8.977 -8.851 1.00 12.22 H new ATOM 0 HB3 LEU B 14 -2.940 -8.629 -9.449 1.00 12.22 H new ATOM 0 HG LEU B 14 -1.509 -8.559 -11.777 1.00 63.05 H new ATOM 0 HD11 LEU B 14 -0.016 -10.518 -11.770 1.00 0.11 H new ATOM 0 HD12 LEU B 14 0.561 -9.244 -10.671 1.00 0.11 H new ATOM 0 HD13 LEU B 14 -0.250 -10.685 -10.014 1.00 0.11 H new ATOM 0 HD21 LEU B 14 -2.430 -10.807 -12.186 1.00 30.24 H new ATOM 0 HD22 LEU B 14 -2.758 -10.985 -10.446 1.00 30.24 H new ATOM 0 HD23 LEU B 14 -3.614 -9.743 -11.391 1.00 30.24 H new ATOM 517 N THR B 15 0.442 -6.747 -11.034 1.00 41.14 N ATOM 518 CA THR B 15 1.865 -6.554 -11.284 1.00 33.34 C ATOM 519 C THR B 15 2.420 -5.407 -10.449 1.00 43.30 C ATOM 520 O THR B 15 1.952 -4.271 -10.547 1.00 73.22 O ATOM 521 CB THR B 15 2.139 -6.272 -12.773 1.00 4.50 C ATOM 522 OG1 THR B 15 0.910 -5.997 -13.455 1.00 72.14 O ATOM 523 CG2 THR B 15 2.836 -7.453 -13.429 1.00 50.50 C ATOM 0 H THR B 15 -0.128 -6.824 -11.876 1.00 41.14 H new ATOM 0 HA THR B 15 2.365 -7.480 -10.999 1.00 33.34 H new ATOM 0 HB THR B 15 2.793 -5.402 -12.840 1.00 4.50 H new ATOM 0 HG1 THR B 15 1.094 -5.817 -14.401 1.00 72.14 H new ATOM 0 HG21 THR B 15 3.019 -7.230 -14.480 1.00 50.50 H new ATOM 0 HG22 THR B 15 3.786 -7.640 -12.927 1.00 50.50 H new ATOM 0 HG23 THR B 15 2.204 -8.338 -13.351 1.00 50.50 H new ATOM 531 N HIS B 16 3.422 -5.707 -9.628 1.00 22.23 N ATOM 532 CA HIS B 16 4.042 -4.699 -8.777 1.00 63.12 C ATOM 533 C HIS B 16 5.199 -4.016 -9.499 1.00 43.25 C ATOM 534 O HIS B 16 6.208 -3.670 -8.886 1.00 73.35 O ATOM 535 CB HIS B 16 4.540 -5.334 -7.479 1.00 62.51 C ATOM 536 CG HIS B 16 3.472 -5.488 -6.438 1.00 13.32 C ATOM 537 ND1 HIS B 16 3.226 -6.676 -5.784 1.00 1.12 N ATOM 538 CD2 HIS B 16 2.587 -4.595 -5.940 1.00 1.33 C ATOM 539 CE1 HIS B 16 2.233 -6.507 -4.930 1.00 63.23 C ATOM 540 NE2 HIS B 16 1.828 -5.252 -5.004 1.00 24.53 N ATOM 0 H HIS B 16 3.822 -6.641 -9.535 1.00 22.23 H new ATOM 0 HA HIS B 16 3.290 -3.947 -8.540 1.00 63.12 H new ATOM 0 HB2 HIS B 16 4.962 -6.314 -7.702 1.00 62.51 H new ATOM 0 HB3 HIS B 16 5.347 -4.724 -7.072 1.00 62.51 H new ATOM 0 HD2 HIS B 16 2.495 -3.558 -6.226 1.00 1.33 H new ATOM 0 HE1 HIS B 16 1.822 -7.266 -4.281 1.00 63.23 H new ATOM 0 HE2 HIS B 16 1.074 -4.839 -4.455 1.00 24.53 H new ATOM 548 N ARG B 17 5.044 -3.823 -10.805 1.00 33.20 N ATOM 549 CA ARG B 17 6.076 -3.182 -11.610 1.00 20.13 C ATOM 550 C ARG B 17 5.542 -1.915 -12.271 1.00 23.24 C ATOM 551 O ARG B 17 6.288 -0.964 -12.508 1.00 20.14 O ATOM 552 CB ARG B 17 6.592 -4.148 -12.679 1.00 33.02 C ATOM 553 CG ARG B 17 5.488 -4.802 -13.494 1.00 72.04 C ATOM 554 CD ARG B 17 6.055 -5.714 -14.570 1.00 11.11 C ATOM 555 NE ARG B 17 6.890 -4.985 -15.522 1.00 24.50 N ATOM 556 CZ ARG B 17 7.726 -5.576 -16.368 1.00 74.22 C ATOM 557 NH1 ARG B 17 7.839 -6.897 -16.380 1.00 1.35 N ATOM 558 NH2 ARG B 17 8.452 -4.844 -17.204 1.00 73.42 N ATOM 0 H ARG B 17 4.214 -4.102 -11.328 1.00 33.20 H new ATOM 0 HA ARG B 17 6.898 -2.908 -10.949 1.00 20.13 H new ATOM 0 HB2 ARG B 17 7.258 -3.609 -13.352 1.00 33.02 H new ATOM 0 HB3 ARG B 17 7.186 -4.925 -12.198 1.00 33.02 H new ATOM 0 HG2 ARG B 17 4.839 -5.377 -12.834 1.00 72.04 H new ATOM 0 HG3 ARG B 17 4.871 -4.032 -13.957 1.00 72.04 H new ATOM 0 HD2 ARG B 17 6.643 -6.504 -14.103 1.00 11.11 H new ATOM 0 HD3 ARG B 17 5.237 -6.199 -15.103 1.00 11.11 H new ATOM 0 HE ARG B 17 6.827 -3.967 -15.538 1.00 24.50 H new ATOM 0 HH11 ARG B 17 7.283 -7.462 -15.738 1.00 1.35 H new ATOM 0 HH12 ARG B 17 8.482 -7.348 -17.031 1.00 1.35 H new ATOM 0 HH21 ARG B 17 8.368 -3.827 -17.197 1.00 73.42 H new ATOM 0 HH22 ARG B 17 9.094 -5.298 -17.854 1.00 73.42 H new ATOM 572 N LEU B 18 4.247 -1.910 -12.567 1.00 44.42 N ATOM 573 CA LEU B 18 3.612 -0.759 -13.201 1.00 74.42 C ATOM 574 C LEU B 18 2.979 0.157 -12.158 1.00 35.33 C ATOM 575 O LEU B 18 2.067 0.925 -12.464 1.00 23.02 O ATOM 576 CB LEU B 18 2.551 -1.224 -14.199 1.00 1.35 C ATOM 577 CG LEU B 18 1.728 -2.444 -13.786 1.00 3.02 C ATOM 578 CD1 LEU B 18 1.023 -2.188 -12.462 1.00 12.15 C ATOM 579 CD2 LEU B 18 0.721 -2.800 -14.869 1.00 21.32 C ATOM 0 H LEU B 18 3.616 -2.689 -12.379 1.00 44.42 H new ATOM 0 HA LEU B 18 4.381 -0.197 -13.732 1.00 74.42 H new ATOM 0 HB2 LEU B 18 1.867 -0.395 -14.384 1.00 1.35 H new ATOM 0 HB3 LEU B 18 3.044 -1.447 -15.145 1.00 1.35 H new ATOM 0 HG LEU B 18 2.405 -3.289 -13.657 1.00 3.02 H new ATOM 0 HD11 LEU B 18 0.442 -3.067 -12.183 1.00 12.15 H new ATOM 0 HD12 LEU B 18 1.764 -1.983 -11.689 1.00 12.15 H new ATOM 0 HD13 LEU B 18 0.358 -1.331 -12.564 1.00 12.15 H new ATOM 0 HD21 LEU B 18 0.144 -3.671 -14.557 1.00 21.32 H new ATOM 0 HD22 LEU B 18 0.048 -1.958 -15.031 1.00 21.32 H new ATOM 0 HD23 LEU B 18 1.248 -3.027 -15.796 1.00 21.32 H new ATOM 591 N PHE B 19 3.470 0.072 -10.927 1.00 73.52 N ATOM 592 CA PHE B 19 2.954 0.893 -9.839 1.00 40.43 C ATOM 593 C PHE B 19 4.027 1.846 -9.320 1.00 70.42 C ATOM 594 O PHE B 19 3.740 2.992 -8.973 1.00 75.32 O ATOM 595 CB PHE B 19 2.447 0.007 -8.699 1.00 63.12 C ATOM 596 CG PHE B 19 1.602 0.743 -7.699 1.00 60.23 C ATOM 597 CD1 PHE B 19 0.610 1.614 -8.118 1.00 65.31 C ATOM 598 CD2 PHE B 19 1.800 0.564 -6.339 1.00 61.42 C ATOM 599 CE1 PHE B 19 -0.170 2.292 -7.200 1.00 43.12 C ATOM 600 CE2 PHE B 19 1.023 1.239 -5.417 1.00 74.44 C ATOM 601 CZ PHE B 19 0.037 2.105 -5.848 1.00 53.24 C ATOM 0 H PHE B 19 4.226 -0.558 -10.658 1.00 73.52 H new ATOM 0 HA PHE B 19 2.124 1.485 -10.226 1.00 40.43 H new ATOM 0 HB2 PHE B 19 1.867 -0.815 -9.119 1.00 63.12 H new ATOM 0 HB3 PHE B 19 3.301 -0.435 -8.186 1.00 63.12 H new ATOM 0 HD1 PHE B 19 0.444 1.765 -9.174 1.00 65.31 H new ATOM 0 HD2 PHE B 19 2.570 -0.111 -5.996 1.00 61.42 H new ATOM 0 HE1 PHE B 19 -0.941 2.968 -7.540 1.00 43.12 H new ATOM 0 HE2 PHE B 19 1.187 1.090 -4.360 1.00 74.44 H new ATOM 0 HZ PHE B 19 -0.571 2.635 -5.129 1.00 53.24 H new ATOM 611 N ARG B 20 5.264 1.362 -9.269 1.00 72.34 N ATOM 612 CA ARG B 20 6.380 2.169 -8.790 1.00 32.22 C ATOM 613 C ARG B 20 7.293 2.573 -9.944 1.00 25.23 C ATOM 614 O ARG B 20 7.886 3.651 -9.931 1.00 44.24 O ATOM 615 CB ARG B 20 7.182 1.396 -7.740 1.00 44.33 C ATOM 616 CG ARG B 20 7.778 0.099 -8.261 1.00 4.32 C ATOM 617 CD ARG B 20 8.553 -0.633 -7.177 1.00 44.13 C ATOM 618 NE ARG B 20 9.984 -0.681 -7.465 1.00 34.32 N ATOM 619 CZ ARG B 20 10.513 -1.418 -8.435 1.00 14.44 C ATOM 620 NH1 ARG B 20 9.734 -2.163 -9.207 1.00 63.00 N ATOM 621 NH2 ARG B 20 11.825 -1.409 -8.636 1.00 31.21 N ATOM 0 H ARG B 20 5.518 0.416 -9.553 1.00 72.34 H new ATOM 0 HA ARG B 20 5.974 3.073 -8.336 1.00 32.22 H new ATOM 0 HB2 ARG B 20 7.986 2.032 -7.369 1.00 44.33 H new ATOM 0 HB3 ARG B 20 6.534 1.173 -6.892 1.00 44.33 H new ATOM 0 HG2 ARG B 20 6.982 -0.543 -8.637 1.00 4.32 H new ATOM 0 HG3 ARG B 20 8.439 0.313 -9.101 1.00 4.32 H new ATOM 0 HD2 ARG B 20 8.392 -0.138 -6.219 1.00 44.13 H new ATOM 0 HD3 ARG B 20 8.169 -1.648 -7.079 1.00 44.13 H new ATOM 0 HE ARG B 20 10.611 -0.118 -6.890 1.00 34.32 H new ATOM 0 HH11 ARG B 20 8.725 -2.171 -9.057 1.00 63.00 H new ATOM 0 HH12 ARG B 20 10.144 -2.728 -9.951 1.00 63.00 H new ATOM 0 HH21 ARG B 20 12.428 -0.836 -8.045 1.00 31.21 H new ATOM 0 HH22 ARG B 20 12.231 -1.975 -9.381 1.00 31.21 H new ATOM 635 N ARG B 21 7.399 1.701 -10.942 1.00 75.20 N ATOM 636 CA ARG B 21 8.240 1.967 -12.102 1.00 22.23 C ATOM 637 C ARG B 21 7.505 2.839 -13.118 1.00 73.14 C ATOM 638 O ARG B 21 8.106 3.348 -14.062 1.00 1.42 O ATOM 639 CB ARG B 21 8.670 0.654 -12.759 1.00 3.33 C ATOM 640 CG ARG B 21 10.074 0.695 -13.339 1.00 31.31 C ATOM 641 CD ARG B 21 10.953 -0.396 -12.745 1.00 10.23 C ATOM 642 NE ARG B 21 10.828 -1.656 -13.472 1.00 33.32 N ATOM 643 CZ ARG B 21 11.636 -2.694 -13.288 1.00 14.02 C ATOM 644 NH1 ARG B 21 12.624 -2.621 -12.406 1.00 65.31 N ATOM 645 NH2 ARG B 21 11.459 -3.807 -13.988 1.00 2.11 N ATOM 0 H ARG B 21 6.913 0.805 -10.970 1.00 75.20 H new ATOM 0 HA ARG B 21 9.126 2.503 -11.762 1.00 22.23 H new ATOM 0 HB2 ARG B 21 8.614 -0.147 -12.022 1.00 3.33 H new ATOM 0 HB3 ARG B 21 7.965 0.407 -13.553 1.00 3.33 H new ATOM 0 HG2 ARG B 21 10.026 0.576 -14.421 1.00 31.31 H new ATOM 0 HG3 ARG B 21 10.521 1.670 -13.145 1.00 31.31 H new ATOM 0 HD2 ARG B 21 11.993 -0.071 -12.759 1.00 10.23 H new ATOM 0 HD3 ARG B 21 10.682 -0.552 -11.701 1.00 10.23 H new ATOM 0 HE ARG B 21 10.079 -1.744 -14.159 1.00 33.32 H new ATOM 0 HH11 ARG B 21 12.765 -1.766 -11.867 1.00 65.31 H new ATOM 0 HH12 ARG B 21 13.243 -3.419 -12.266 1.00 65.31 H new ATOM 0 HH21 ARG B 21 10.702 -3.866 -14.669 1.00 2.11 H new ATOM 0 HH22 ARG B 21 12.080 -4.603 -13.846 1.00 2.11 H new ATOM 659 N ASN B 22 6.203 3.005 -12.914 1.00 53.13 N ATOM 660 CA ASN B 22 5.386 3.815 -13.811 1.00 12.24 C ATOM 661 C ASN B 22 4.736 4.972 -13.060 1.00 14.32 C ATOM 662 O ASN B 22 4.979 6.140 -13.367 1.00 40.31 O ATOM 663 CB ASN B 22 4.309 2.952 -14.472 1.00 71.13 C ATOM 664 CG ASN B 22 3.706 3.616 -15.694 1.00 3.14 C ATOM 665 OD1 ASN B 22 3.890 4.812 -15.919 1.00 4.43 O ATOM 666 ND2 ASN B 22 2.981 2.839 -16.491 1.00 3.41 N ATOM 0 H ASN B 22 5.690 2.590 -12.136 1.00 53.13 H new ATOM 0 HA ASN B 22 6.037 4.227 -14.582 1.00 12.24 H new ATOM 0 HB2 ASN B 22 4.741 1.993 -14.759 1.00 71.13 H new ATOM 0 HB3 ASN B 22 3.520 2.743 -13.749 1.00 71.13 H new ATOM 0 HD21 ASN B 22 2.550 3.229 -17.329 1.00 3.41 H new ATOM 0 HD22 ASN B 22 2.855 1.852 -16.265 1.00 3.41 H new ATOM 673 N PHE B 23 3.910 4.641 -12.074 1.00 74.22 N ATOM 674 CA PHE B 23 3.224 5.653 -11.278 1.00 33.01 C ATOM 675 C PHE B 23 4.077 6.077 -10.086 1.00 41.02 C ATOM 676 O PHE B 23 3.636 6.851 -9.237 1.00 23.01 O ATOM 677 CB PHE B 23 1.875 5.121 -10.791 1.00 73.24 C ATOM 678 CG PHE B 23 0.963 4.690 -11.903 1.00 43.14 C ATOM 679 CD1 PHE B 23 0.490 5.611 -12.824 1.00 61.53 C ATOM 680 CD2 PHE B 23 0.579 3.365 -12.028 1.00 62.24 C ATOM 681 CE1 PHE B 23 -0.350 5.218 -13.849 1.00 3.55 C ATOM 682 CE2 PHE B 23 -0.261 2.966 -13.051 1.00 12.00 C ATOM 683 CZ PHE B 23 -0.726 3.894 -13.962 1.00 3.13 C ATOM 0 H PHE B 23 3.699 3.680 -11.806 1.00 74.22 H new ATOM 0 HA PHE B 23 3.056 6.525 -11.910 1.00 33.01 H new ATOM 0 HB2 PHE B 23 2.046 4.276 -10.124 1.00 73.24 H new ATOM 0 HB3 PHE B 23 1.379 5.894 -10.204 1.00 73.24 H new ATOM 0 HD1 PHE B 23 0.781 6.648 -12.740 1.00 61.53 H new ATOM 0 HD2 PHE B 23 0.940 2.635 -11.318 1.00 62.24 H new ATOM 0 HE1 PHE B 23 -0.712 5.945 -14.561 1.00 3.55 H new ATOM 0 HE2 PHE B 23 -0.553 1.930 -13.138 1.00 12.00 H new ATOM 0 HZ PHE B 23 -1.383 3.585 -14.762 1.00 3.13 H new ATOM 693 N GLY B 24 5.303 5.564 -10.030 1.00 1.43 N ATOM 694 CA GLY B 24 6.198 5.901 -8.939 1.00 11.04 C ATOM 695 C GLY B 24 7.476 6.559 -9.420 1.00 54.05 C ATOM 696 O GLY B 24 8.124 7.293 -8.673 1.00 64.13 O ATOM 0 H GLY B 24 5.692 4.922 -10.720 1.00 1.43 H new ATOM 0 HA2 GLY B 24 5.687 6.570 -8.247 1.00 11.04 H new ATOM 0 HA3 GLY B 24 6.445 4.996 -8.383 1.00 11.04 H new ATOM 700 N TYR B 25 7.842 6.295 -10.669 1.00 33.34 N ATOM 701 CA TYR B 25 9.053 6.863 -11.247 1.00 54.24 C ATOM 702 C TYR B 25 9.057 8.384 -11.120 1.00 24.11 C ATOM 703 O TYR B 25 10.113 9.014 -11.071 1.00 12.22 O ATOM 704 CB TYR B 25 9.178 6.463 -12.719 1.00 55.14 C ATOM 705 CG TYR B 25 10.604 6.218 -13.160 1.00 61.02 C ATOM 706 CD1 TYR B 25 11.340 7.217 -13.784 1.00 4.40 C ATOM 707 CD2 TYR B 25 11.213 4.986 -12.955 1.00 40.30 C ATOM 708 CE1 TYR B 25 12.642 6.997 -14.190 1.00 20.14 C ATOM 709 CE2 TYR B 25 12.515 4.758 -13.356 1.00 22.22 C ATOM 710 CZ TYR B 25 13.225 5.767 -13.974 1.00 72.32 C ATOM 711 OH TYR B 25 14.522 5.542 -14.376 1.00 23.32 O ATOM 0 H TYR B 25 7.317 5.691 -11.301 1.00 33.34 H new ATOM 0 HA TYR B 25 9.907 6.468 -10.696 1.00 54.24 H new ATOM 0 HB2 TYR B 25 8.592 5.560 -12.893 1.00 55.14 H new ATOM 0 HB3 TYR B 25 8.745 7.248 -13.338 1.00 55.14 H new ATOM 0 HD1 TYR B 25 10.887 8.182 -13.955 1.00 4.40 H new ATOM 0 HD2 TYR B 25 10.659 4.193 -12.474 1.00 40.30 H new ATOM 0 HE1 TYR B 25 13.200 7.785 -14.674 1.00 20.14 H new ATOM 0 HE2 TYR B 25 12.975 3.795 -13.187 1.00 22.22 H new ATOM 0 HH TYR B 25 14.781 4.625 -14.148 1.00 23.32 H new ATOM 721 N THR B 26 7.863 8.969 -11.068 1.00 61.41 N ATOM 722 CA THR B 26 7.726 10.414 -10.946 1.00 1.04 C ATOM 723 C THR B 26 8.542 10.949 -9.775 1.00 14.35 C ATOM 724 O THR B 26 9.181 11.997 -9.878 1.00 62.05 O ATOM 725 CB THR B 26 6.252 10.825 -10.760 1.00 32.21 C ATOM 726 OG1 THR B 26 5.801 10.451 -9.453 1.00 34.22 O ATOM 727 CG2 THR B 26 5.371 10.171 -11.813 1.00 34.31 C ATOM 0 H THR B 26 6.978 8.463 -11.109 1.00 61.41 H new ATOM 0 HA THR B 26 8.102 10.845 -11.874 1.00 1.04 H new ATOM 0 HB THR B 26 6.182 11.907 -10.872 1.00 32.21 H new ATOM 0 HG1 THR B 26 4.826 10.538 -9.406 1.00 34.22 H new ATOM 0 HG21 THR B 26 4.336 10.476 -11.661 1.00 34.31 H new ATOM 0 HG22 THR B 26 5.699 10.481 -12.805 1.00 34.31 H new ATOM 0 HG23 THR B 26 5.446 9.087 -11.728 1.00 34.31 H new ATOM 735 N LEU B 27 8.519 10.222 -8.663 1.00 2.25 N ATOM 736 CA LEU B 27 9.259 10.623 -7.472 1.00 62.31 C ATOM 737 C LEU B 27 10.323 9.589 -7.119 1.00 61.24 C ATOM 738 O LEU B 27 10.084 8.689 -6.314 1.00 74.12 O ATOM 739 CB LEU B 27 8.302 10.811 -6.293 1.00 1.05 C ATOM 740 CG LEU B 27 7.360 12.014 -6.378 1.00 75.20 C ATOM 741 CD1 LEU B 27 6.028 11.695 -5.719 1.00 70.42 C ATOM 742 CD2 LEU B 27 7.998 13.236 -5.733 1.00 61.44 C ATOM 0 H LEU B 27 7.996 9.352 -8.562 1.00 2.25 H new ATOM 0 HA LEU B 27 9.755 11.570 -7.683 1.00 62.31 H new ATOM 0 HB2 LEU B 27 7.699 9.909 -6.193 1.00 1.05 H new ATOM 0 HB3 LEU B 27 8.893 10.901 -5.382 1.00 1.05 H new ATOM 0 HG LEU B 27 7.178 12.236 -7.429 1.00 75.20 H new ATOM 0 HD11 LEU B 27 5.371 12.562 -5.789 1.00 70.42 H new ATOM 0 HD12 LEU B 27 5.566 10.847 -6.225 1.00 70.42 H new ATOM 0 HD13 LEU B 27 6.191 11.447 -4.670 1.00 70.42 H new ATOM 0 HD21 LEU B 27 7.315 14.082 -5.802 1.00 61.44 H new ATOM 0 HD22 LEU B 27 8.210 13.025 -4.685 1.00 61.44 H new ATOM 0 HD23 LEU B 27 8.927 13.477 -6.250 1.00 61.44 H new ATOM 754 N ARG B 28 11.498 9.728 -7.723 1.00 60.44 N ATOM 755 CA ARG B 28 12.600 8.806 -7.471 1.00 23.04 C ATOM 756 C ARG B 28 13.675 9.465 -6.612 1.00 44.51 C ATOM 757 O ARG B 28 14.732 8.884 -6.369 1.00 31.40 O ATOM 758 CB ARG B 28 13.208 8.330 -8.792 1.00 63.03 C ATOM 759 CG ARG B 28 12.819 6.909 -9.165 1.00 40.34 C ATOM 760 CD ARG B 28 13.400 5.898 -8.189 1.00 54.44 C ATOM 761 NE ARG B 28 14.367 5.012 -8.830 1.00 31.43 N ATOM 762 CZ ARG B 28 14.023 3.955 -9.559 1.00 74.12 C ATOM 763 NH1 ARG B 28 12.744 3.655 -9.737 1.00 72.24 N ATOM 764 NH2 ARG B 28 14.961 3.195 -10.111 1.00 53.53 N ATOM 0 H ARG B 28 11.712 10.469 -8.390 1.00 60.44 H new ATOM 0 HA ARG B 28 12.204 7.946 -6.931 1.00 23.04 H new ATOM 0 HB2 ARG B 28 12.896 9.004 -9.590 1.00 63.03 H new ATOM 0 HB3 ARG B 28 14.294 8.395 -8.726 1.00 63.03 H new ATOM 0 HG2 ARG B 28 11.733 6.820 -9.179 1.00 40.34 H new ATOM 0 HG3 ARG B 28 13.170 6.687 -10.173 1.00 40.34 H new ATOM 0 HD2 ARG B 28 13.882 6.425 -7.365 1.00 54.44 H new ATOM 0 HD3 ARG B 28 12.593 5.304 -7.759 1.00 54.44 H new ATOM 0 HE ARG B 28 15.360 5.215 -8.712 1.00 31.43 H new ATOM 0 HH11 ARG B 28 12.020 4.236 -9.314 1.00 72.24 H new ATOM 0 HH12 ARG B 28 12.484 2.843 -10.297 1.00 72.24 H new ATOM 0 HH21 ARG B 28 15.946 3.422 -9.976 1.00 53.53 H new ATOM 0 HH22 ARG B 28 14.697 2.384 -10.670 1.00 53.53 H new TER 778 ARG B 28