USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=12 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+ 162:sc= -0.283 (180deg=-0.985) USER MOD Single : A 6 LYS NZ :NH3+ -136:sc= -3.34! (180deg=-7.36!) USER MOD Single : A 8 LYS NZ :NH3+ -139:sc= 1.02 (180deg=-1.74) 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+ -165:sc= 1.27 (180deg=0.884) 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= 0.00933 USER MOD Single : B 6 THR OG1 : rot 170:sc= -0.0908 USER MOD Single : B 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 9 ASN : amide:sc= -1.45 K(o=-1.5,f=-2) USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 THR OG1 : rot 180:sc= -1.46 USER MOD Single : B 16 HIS : no HE2:sc= -1.9 K(o=-1.9,f=-2.5) USER MOD Single : B 22 ASN : amide:sc= 0 X(o=0,f=0.065) USER MOD Single : B 25 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -2.784 9.191 7.423 1.00 3.00 N ATOM 2 CA VAL A 1 -3.544 9.989 6.467 1.00 12.15 C ATOM 3 C VAL A 1 -3.131 9.668 5.035 1.00 62.54 C ATOM 4 O VAL A 1 -1.977 9.333 4.770 1.00 60.13 O ATOM 5 CB VAL A 1 -3.356 11.496 6.720 1.00 32.11 C ATOM 6 CG1 VAL A 1 -1.901 11.894 6.520 1.00 3.14 C ATOM 7 CG2 VAL A 1 -4.268 12.306 5.811 1.00 35.41 C ATOM 0 H1 VAL A 1 -2.849 9.624 8.366 1.00 3.00 H new ATOM 0 H2 VAL A 1 -3.173 8.227 7.457 1.00 3.00 H new ATOM 0 H3 VAL A 1 -1.787 9.152 7.128 1.00 3.00 H new ATOM 0 HA VAL A 1 -4.595 9.735 6.605 1.00 12.15 H new ATOM 0 HB VAL A 1 -3.627 11.710 7.754 1.00 32.11 H new ATOM 0 HG11 VAL A 1 -1.788 12.963 6.703 1.00 3.14 H new ATOM 0 HG12 VAL A 1 -1.273 11.338 7.216 1.00 3.14 H new ATOM 0 HG13 VAL A 1 -1.599 11.667 5.498 1.00 3.14 H new ATOM 0 HG21 VAL A 1 -4.122 13.369 6.003 1.00 35.41 H new ATOM 0 HG22 VAL A 1 -4.029 12.089 4.770 1.00 35.41 H new ATOM 0 HG23 VAL A 1 -5.307 12.041 6.008 1.00 35.41 H new ATOM 17 N ALA A 2 -4.083 9.776 4.114 1.00 63.04 N ATOM 18 CA ALA A 2 -3.819 9.501 2.707 1.00 53.21 C ATOM 19 C ALA A 2 -3.048 10.646 2.059 1.00 73.30 C ATOM 20 O ALA A 2 -3.618 11.690 1.741 1.00 12.14 O ATOM 21 CB ALA A 2 -5.123 9.253 1.963 1.00 52.43 C ATOM 0 H ALA A 2 -5.044 10.052 4.317 1.00 63.04 H new ATOM 0 HA ALA A 2 -3.204 8.603 2.648 1.00 53.21 H new ATOM 0 HB1 ALA A 2 -4.910 9.049 0.914 1.00 52.43 H new ATOM 0 HB2 ALA A 2 -5.635 8.397 2.402 1.00 52.43 H new ATOM 0 HB3 ALA A 2 -5.759 10.135 2.039 1.00 52.43 H new ATOM 27 N ARG A 3 -1.748 10.443 1.867 1.00 73.34 N ATOM 28 CA ARG A 3 -0.899 11.461 1.258 1.00 31.04 C ATOM 29 C ARG A 3 -0.287 10.950 -0.043 1.00 61.05 C ATOM 30 O ARG A 3 0.184 11.732 -0.868 1.00 63.51 O ATOM 31 CB ARG A 3 0.210 11.876 2.227 1.00 32.14 C ATOM 32 CG ARG A 3 -0.117 11.593 3.684 1.00 63.10 C ATOM 33 CD ARG A 3 1.004 12.047 4.605 1.00 32.52 C ATOM 34 NE ARG A 3 1.088 11.228 5.811 1.00 13.02 N ATOM 35 CZ ARG A 3 1.889 11.504 6.834 1.00 72.21 C ATOM 36 NH1 ARG A 3 2.672 12.574 6.797 1.00 41.20 N ATOM 37 NH2 ARG A 3 1.909 10.710 7.897 1.00 61.13 N ATOM 0 H ARG A 3 -1.261 9.585 2.124 1.00 73.34 H new ATOM 0 HA ARG A 3 -1.519 12.329 1.032 1.00 31.04 H new ATOM 0 HB2 ARG A 3 1.128 11.352 1.961 1.00 32.14 H new ATOM 0 HB3 ARG A 3 0.405 12.942 2.108 1.00 32.14 H new ATOM 0 HG2 ARG A 3 -1.042 12.102 3.956 1.00 63.10 H new ATOM 0 HG3 ARG A 3 -0.290 10.525 3.818 1.00 63.10 H new ATOM 0 HD2 ARG A 3 1.953 12.003 4.070 1.00 32.52 H new ATOM 0 HD3 ARG A 3 0.844 13.088 4.885 1.00 32.52 H new ATOM 0 HE ARG A 3 0.499 10.398 5.871 1.00 13.02 H new ATOM 0 HH11 ARG A 3 2.660 13.187 5.982 1.00 41.20 H new ATOM 0 HH12 ARG A 3 3.286 12.784 7.584 1.00 41.20 H new ATOM 0 HH21 ARG A 3 1.309 9.886 7.929 1.00 61.13 H new ATOM 0 HH22 ARG A 3 2.525 10.924 8.682 1.00 61.13 H new ATOM 51 N GLY A 4 -0.297 9.633 -0.219 1.00 41.31 N ATOM 52 CA GLY A 4 0.260 9.040 -1.422 1.00 60.25 C ATOM 53 C GLY A 4 -0.576 9.332 -2.652 1.00 14.11 C ATOM 54 O GLY A 4 -0.108 9.175 -3.780 1.00 3.43 O ATOM 0 H GLY A 4 -0.681 8.965 0.450 1.00 41.31 H new ATOM 0 HA2 GLY A 4 1.271 9.418 -1.575 1.00 60.25 H new ATOM 0 HA3 GLY A 4 0.340 7.961 -1.288 1.00 60.25 H new ATOM 58 N TRP A 5 -1.816 9.756 -2.436 1.00 53.44 N ATOM 59 CA TRP A 5 -2.719 10.068 -3.538 1.00 22.21 C ATOM 60 C TRP A 5 -3.208 11.510 -3.449 1.00 15.12 C ATOM 61 O TRP A 5 -3.855 12.014 -4.367 1.00 73.31 O ATOM 62 CB TRP A 5 -3.913 9.112 -3.532 1.00 13.11 C ATOM 63 CG TRP A 5 -3.761 7.967 -4.487 1.00 35.11 C ATOM 64 CD1 TRP A 5 -2.605 7.312 -4.804 1.00 55.11 C ATOM 65 CD2 TRP A 5 -4.799 7.344 -5.250 1.00 5.44 C ATOM 66 NE1 TRP A 5 -2.863 6.319 -5.719 1.00 74.03 N ATOM 67 CE2 TRP A 5 -4.202 6.318 -6.008 1.00 14.33 C ATOM 68 CE3 TRP A 5 -6.176 7.551 -5.366 1.00 42.10 C ATOM 69 CZ2 TRP A 5 -4.934 5.504 -6.869 1.00 24.04 C ATOM 70 CZ3 TRP A 5 -6.902 6.743 -6.220 1.00 44.44 C ATOM 71 CH2 TRP A 5 -6.280 5.729 -6.962 1.00 43.22 C ATOM 0 H TRP A 5 -2.219 9.892 -1.509 1.00 53.44 H new ATOM 0 HA TRP A 5 -2.169 9.947 -4.471 1.00 22.21 H new ATOM 0 HB2 TRP A 5 -4.050 8.720 -2.524 1.00 13.11 H new ATOM 0 HB3 TRP A 5 -4.816 9.668 -3.783 1.00 13.11 H new ATOM 0 HD1 TRP A 5 -1.632 7.541 -4.396 1.00 55.11 H new ATOM 0 HE1 TRP A 5 -2.170 5.686 -6.118 1.00 74.03 H new ATOM 0 HE3 TRP A 5 -6.664 8.329 -4.798 1.00 42.10 H new ATOM 0 HZ2 TRP A 5 -4.456 4.723 -7.442 1.00 24.04 H new ATOM 0 HZ3 TRP A 5 -7.967 6.895 -6.318 1.00 44.44 H new ATOM 0 HH2 TRP A 5 -6.875 5.113 -7.620 1.00 43.22 H new ATOM 82 N LYS A 6 -2.894 12.169 -2.339 1.00 53.23 N ATOM 83 CA LYS A 6 -3.299 13.555 -2.131 1.00 33.00 C ATOM 84 C LYS A 6 -2.149 14.510 -2.437 1.00 5.42 C ATOM 85 O LYS A 6 -2.366 15.692 -2.703 1.00 2.11 O ATOM 86 CB LYS A 6 -3.774 13.757 -0.691 1.00 61.41 C ATOM 87 CG LYS A 6 -5.228 13.378 -0.471 1.00 0.21 C ATOM 88 CD LYS A 6 -5.467 11.903 -0.749 1.00 42.14 C ATOM 89 CE LYS A 6 -6.825 11.451 -0.235 1.00 62.45 C ATOM 90 NZ LYS A 6 -6.964 11.669 1.232 1.00 53.14 N ATOM 0 H LYS A 6 -2.360 11.766 -1.569 1.00 53.23 H new ATOM 0 HA LYS A 6 -4.121 13.774 -2.813 1.00 33.00 H new ATOM 0 HB2 LYS A 6 -3.148 13.164 -0.024 1.00 61.41 H new ATOM 0 HB3 LYS A 6 -3.634 14.802 -0.414 1.00 61.41 H new ATOM 0 HG2 LYS A 6 -5.513 13.607 0.556 1.00 0.21 H new ATOM 0 HG3 LYS A 6 -5.864 13.980 -1.120 1.00 0.21 H new ATOM 0 HD2 LYS A 6 -5.403 11.719 -1.821 1.00 42.14 H new ATOM 0 HD3 LYS A 6 -4.683 11.311 -0.277 1.00 42.14 H new ATOM 0 HE2 LYS A 6 -7.611 11.995 -0.759 1.00 62.45 H new ATOM 0 HE3 LYS A 6 -6.965 10.394 -0.460 1.00 62.45 H new ATOM 0 HZ1 LYS A 6 -7.397 10.830 1.668 1.00 53.14 H new ATOM 0 HZ2 LYS A 6 -6.025 11.830 1.649 1.00 53.14 H new ATOM 0 HZ3 LYS A 6 -7.567 12.499 1.404 1.00 53.14 H new ATOM 104 N ARG A 7 -0.927 13.989 -2.400 1.00 1.40 N ATOM 105 CA ARG A 7 0.256 14.796 -2.674 1.00 2.43 C ATOM 106 C ARG A 7 0.788 14.521 -4.077 1.00 71.25 C ATOM 107 O ARG A 7 1.404 15.387 -4.700 1.00 13.45 O ATOM 108 CB ARG A 7 1.345 14.509 -1.640 1.00 33.51 C ATOM 109 CG ARG A 7 2.663 15.208 -1.933 1.00 42.40 C ATOM 110 CD ARG A 7 3.752 14.212 -2.302 1.00 25.04 C ATOM 111 NE ARG A 7 4.643 14.731 -3.335 1.00 62.23 N ATOM 112 CZ ARG A 7 5.457 13.969 -4.056 1.00 61.41 C ATOM 113 NH1 ARG A 7 5.492 12.658 -3.857 1.00 32.43 N ATOM 114 NH2 ARG A 7 6.237 14.517 -4.978 1.00 54.53 N ATOM 0 H ARG A 7 -0.730 13.012 -2.183 1.00 1.40 H new ATOM 0 HA ARG A 7 -0.029 15.846 -2.611 1.00 2.43 H new ATOM 0 HB2 ARG A 7 0.991 14.818 -0.656 1.00 33.51 H new ATOM 0 HB3 ARG A 7 1.516 13.434 -1.594 1.00 33.51 H new ATOM 0 HG2 ARG A 7 2.526 15.918 -2.749 1.00 42.40 H new ATOM 0 HG3 ARG A 7 2.974 15.782 -1.060 1.00 42.40 H new ATOM 0 HD2 ARG A 7 4.333 13.965 -1.413 1.00 25.04 H new ATOM 0 HD3 ARG A 7 3.293 13.287 -2.651 1.00 25.04 H new ATOM 0 HE ARG A 7 4.640 15.735 -3.513 1.00 62.23 H new ATOM 0 HH11 ARG A 7 4.893 12.233 -3.149 1.00 32.43 H new ATOM 0 HH12 ARG A 7 6.118 12.074 -4.412 1.00 32.43 H new ATOM 0 HH21 ARG A 7 6.212 15.525 -5.134 1.00 54.53 H new ATOM 0 HH22 ARG A 7 6.862 13.931 -5.531 1.00 54.53 H new ATOM 128 N LYS A 8 0.546 13.312 -4.571 1.00 64.40 N ATOM 129 CA LYS A 8 0.998 12.923 -5.900 1.00 43.43 C ATOM 130 C LYS A 8 0.157 13.596 -6.981 1.00 34.21 C ATOM 131 O LYS A 8 -0.706 12.965 -7.592 1.00 11.50 O ATOM 132 CB LYS A 8 0.930 11.402 -6.060 1.00 42.12 C ATOM 133 CG LYS A 8 2.179 10.684 -5.580 1.00 3.23 C ATOM 134 CD LYS A 8 2.387 10.866 -4.086 1.00 4.02 C ATOM 135 CE LYS A 8 3.236 9.747 -3.501 1.00 63.25 C ATOM 136 NZ LYS A 8 2.591 8.415 -3.670 1.00 24.33 N ATOM 0 H LYS A 8 0.038 12.584 -4.069 1.00 64.40 H new ATOM 0 HA LYS A 8 2.032 13.249 -6.014 1.00 43.43 H new ATOM 0 HB2 LYS A 8 0.069 11.025 -5.508 1.00 42.12 H new ATOM 0 HB3 LYS A 8 0.764 11.163 -7.110 1.00 42.12 H new ATOM 0 HG2 LYS A 8 2.100 9.622 -5.811 1.00 3.23 H new ATOM 0 HG3 LYS A 8 3.048 11.064 -6.118 1.00 3.23 H new ATOM 0 HD2 LYS A 8 2.869 11.826 -3.899 1.00 4.02 H new ATOM 0 HD3 LYS A 8 1.420 10.891 -3.583 1.00 4.02 H new ATOM 0 HE2 LYS A 8 4.213 9.741 -3.985 1.00 63.25 H new ATOM 0 HE3 LYS A 8 3.406 9.936 -2.441 1.00 63.25 H new ATOM 0 HZ1 LYS A 8 2.718 7.855 -2.803 1.00 24.33 H new ATOM 0 HZ2 LYS A 8 1.575 8.542 -3.855 1.00 24.33 H new ATOM 0 HZ3 LYS A 8 3.029 7.916 -4.471 1.00 24.33 H new ATOM 150 N CYS A 9 0.415 14.879 -7.211 1.00 3.23 N ATOM 151 CA CYS A 9 -0.318 15.637 -8.218 1.00 20.01 C ATOM 152 C CYS A 9 0.146 15.265 -9.623 1.00 71.44 C ATOM 153 O CYS A 9 -0.626 14.778 -10.450 1.00 14.02 O ATOM 154 CB CYS A 9 -0.138 17.138 -7.988 1.00 51.22 C ATOM 155 SG CYS A 9 -1.623 17.978 -7.393 1.00 45.25 S ATOM 0 H CYS A 9 1.126 15.415 -6.714 1.00 3.23 H new ATOM 0 HA CYS A 9 -1.375 15.388 -8.127 1.00 20.01 H new ATOM 0 HB2 CYS A 9 0.666 17.290 -7.267 1.00 51.22 H new ATOM 0 HB3 CYS A 9 0.179 17.602 -8.922 1.00 51.22 H new ATOM 0 HG CYS A 9 -1.369 19.242 -7.227 1.00 45.25 H new ATOM 161 N PRO A 10 1.436 15.503 -9.902 1.00 41.25 N ATOM 162 CA PRO A 10 2.032 15.203 -11.207 1.00 32.12 C ATOM 163 C PRO A 10 2.152 13.703 -11.457 1.00 53.04 C ATOM 164 O PRO A 10 2.498 13.274 -12.559 1.00 14.33 O ATOM 165 CB PRO A 10 3.420 15.843 -11.119 1.00 42.45 C ATOM 166 CG PRO A 10 3.729 15.879 -9.663 1.00 61.22 C ATOM 167 CD PRO A 10 2.412 16.083 -8.965 1.00 72.44 C ATOM 0 HA PRO A 10 1.425 15.581 -12.029 1.00 32.12 H new ATOM 0 HB2 PRO A 10 4.160 15.260 -11.666 1.00 42.45 H new ATOM 0 HB3 PRO A 10 3.422 16.845 -11.549 1.00 42.45 H new ATOM 0 HG2 PRO A 10 4.202 14.951 -9.341 1.00 61.22 H new ATOM 0 HG3 PRO A 10 4.423 16.687 -9.431 1.00 61.22 H new ATOM 0 HD2 PRO A 10 2.388 15.581 -7.998 1.00 72.44 H new ATOM 0 HD3 PRO A 10 2.214 17.139 -8.781 1.00 72.44 H new ATOM 175 N LEU A 11 1.865 12.912 -10.431 1.00 2.21 N ATOM 176 CA LEU A 11 1.940 11.459 -10.540 1.00 10.01 C ATOM 177 C LEU A 11 0.555 10.856 -10.747 1.00 43.50 C ATOM 178 O LEU A 11 0.240 10.357 -11.828 1.00 64.41 O ATOM 179 CB LEU A 11 2.584 10.866 -9.285 1.00 15.20 C ATOM 180 CG LEU A 11 4.113 10.880 -9.245 1.00 1.15 C ATOM 181 CD1 LEU A 11 4.618 10.250 -7.955 1.00 54.25 C ATOM 182 CD2 LEU A 11 4.684 10.153 -10.454 1.00 75.55 C ATOM 0 H LEU A 11 1.578 13.251 -9.513 1.00 2.21 H new ATOM 0 HA LEU A 11 2.555 11.216 -11.406 1.00 10.01 H new ATOM 0 HB2 LEU A 11 2.213 11.412 -8.418 1.00 15.20 H new ATOM 0 HB3 LEU A 11 2.247 9.835 -9.181 1.00 15.20 H new ATOM 0 HG LEU A 11 4.450 11.916 -9.276 1.00 1.15 H new ATOM 0 HD11 LEU A 11 5.708 10.268 -7.943 1.00 54.25 H new ATOM 0 HD12 LEU A 11 4.237 10.812 -7.102 1.00 54.25 H new ATOM 0 HD13 LEU A 11 4.272 9.218 -7.894 1.00 54.25 H new ATOM 0 HD21 LEU A 11 5.773 10.173 -10.410 1.00 75.55 H new ATOM 0 HD22 LEU A 11 4.339 9.119 -10.453 1.00 75.55 H new ATOM 0 HD23 LEU A 11 4.349 10.646 -11.367 1.00 75.55 H new ATOM 194 N PHE A 12 -0.269 10.907 -9.706 1.00 11.30 N ATOM 195 CA PHE A 12 -1.622 10.366 -9.775 1.00 51.34 C ATOM 196 C PHE A 12 -2.500 11.213 -10.691 1.00 74.44 C ATOM 197 O PHE A 12 -3.607 10.815 -11.052 1.00 13.24 O ATOM 198 CB PHE A 12 -2.239 10.300 -8.377 1.00 34.42 C ATOM 199 CG PHE A 12 -3.673 9.853 -8.375 1.00 71.13 C ATOM 200 CD1 PHE A 12 -4.067 8.740 -9.100 1.00 15.20 C ATOM 201 CD2 PHE A 12 -4.628 10.546 -7.647 1.00 55.51 C ATOM 202 CE1 PHE A 12 -5.385 8.326 -9.100 1.00 42.43 C ATOM 203 CE2 PHE A 12 -5.948 10.136 -7.643 1.00 51.55 C ATOM 204 CZ PHE A 12 -6.327 9.026 -8.372 1.00 34.04 C ATOM 0 H PHE A 12 -0.024 11.317 -8.805 1.00 11.30 H new ATOM 0 HA PHE A 12 -1.563 9.358 -10.187 1.00 51.34 H new ATOM 0 HB2 PHE A 12 -1.653 9.617 -7.762 1.00 34.42 H new ATOM 0 HB3 PHE A 12 -2.173 11.284 -7.913 1.00 34.42 H new ATOM 0 HD1 PHE A 12 -3.335 8.189 -9.672 1.00 15.20 H new ATOM 0 HD2 PHE A 12 -4.337 11.416 -7.077 1.00 55.51 H new ATOM 0 HE1 PHE A 12 -5.678 7.456 -9.669 1.00 42.43 H new ATOM 0 HE2 PHE A 12 -6.682 10.683 -7.070 1.00 51.55 H new ATOM 0 HZ PHE A 12 -7.358 8.706 -8.373 1.00 34.04 H new ATOM 214 N GLY A 13 -1.998 12.387 -11.065 1.00 32.44 N ATOM 215 CA GLY A 13 -2.749 13.272 -11.934 1.00 70.32 C ATOM 216 C GLY A 13 -2.719 12.826 -13.382 1.00 55.55 C ATOM 217 O GLY A 13 -3.158 11.724 -13.709 1.00 11.54 O ATOM 0 H GLY A 13 -1.084 12.740 -10.781 1.00 32.44 H new ATOM 0 HA2 GLY A 13 -3.783 13.319 -11.593 1.00 70.32 H new ATOM 0 HA3 GLY A 13 -2.342 14.281 -11.859 1.00 70.32 H new ATOM 221 N LYS A 14 -2.201 13.685 -14.254 1.00 13.35 N ATOM 222 CA LYS A 14 -2.115 13.374 -15.676 1.00 1.31 C ATOM 223 C LYS A 14 -0.742 12.808 -16.027 1.00 51.04 C ATOM 224 O LYS A 14 -0.480 12.459 -17.177 1.00 43.12 O ATOM 225 CB LYS A 14 -2.391 14.627 -16.511 1.00 24.42 C ATOM 226 CG LYS A 14 -1.551 15.825 -16.106 1.00 34.23 C ATOM 227 CD LYS A 14 -2.337 16.787 -15.230 1.00 74.04 C ATOM 228 CE LYS A 14 -2.549 18.124 -15.924 1.00 20.21 C ATOM 229 NZ LYS A 14 -3.371 19.053 -15.098 1.00 52.11 N ATOM 0 H LYS A 14 -1.834 14.602 -14.000 1.00 13.35 H new ATOM 0 HA LYS A 14 -2.868 12.620 -15.904 1.00 1.31 H new ATOM 0 HB2 LYS A 14 -2.205 14.402 -17.561 1.00 24.42 H new ATOM 0 HB3 LYS A 14 -3.446 14.887 -16.423 1.00 24.42 H new ATOM 0 HG2 LYS A 14 -0.665 15.485 -15.570 1.00 34.23 H new ATOM 0 HG3 LYS A 14 -1.204 16.345 -16.999 1.00 34.23 H new ATOM 0 HD2 LYS A 14 -3.303 16.348 -14.981 1.00 74.04 H new ATOM 0 HD3 LYS A 14 -1.806 16.943 -14.291 1.00 74.04 H new ATOM 0 HE2 LYS A 14 -1.582 18.582 -16.133 1.00 20.21 H new ATOM 0 HE3 LYS A 14 -3.039 17.961 -16.884 1.00 20.21 H new ATOM 0 HZ1 LYS A 14 -3.493 19.953 -15.605 1.00 52.11 H new ATOM 0 HZ2 LYS A 14 -4.303 18.627 -14.920 1.00 52.11 H new ATOM 0 HZ3 LYS A 14 -2.892 19.229 -14.192 1.00 52.11 H new ATOM 243 N GLY A 15 0.130 12.720 -15.028 1.00 62.13 N ATOM 244 CA GLY A 15 1.465 12.195 -15.252 1.00 45.14 C ATOM 245 C GLY A 15 1.642 10.801 -14.685 1.00 25.44 C ATOM 246 O GLY A 15 2.147 10.634 -13.575 1.00 5.21 O ATOM 0 H GLY A 15 -0.064 13.003 -14.067 1.00 62.13 H new ATOM 0 HA2 GLY A 15 1.670 12.177 -16.322 1.00 45.14 H new ATOM 0 HA3 GLY A 15 2.196 12.864 -14.798 1.00 45.14 H new ATOM 250 N GLY A 16 1.224 9.795 -15.447 1.00 44.42 N ATOM 251 CA GLY A 16 1.346 8.421 -14.997 1.00 32.13 C ATOM 252 C GLY A 16 2.759 7.890 -15.132 1.00 15.33 C ATOM 253 O GLY A 16 3.053 6.773 -14.709 1.00 43.14 O ATOM 0 H GLY A 16 0.803 9.907 -16.369 1.00 44.42 H new ATOM 0 HA2 GLY A 16 1.034 8.354 -13.955 1.00 32.13 H new ATOM 0 HA3 GLY A 16 0.668 7.792 -15.573 1.00 32.13 H new TER 257 GLY A 16 ATOM 258 N LYS B 1 -0.123 7.346 4.395 1.00 31.32 N ATOM 259 CA LYS B 1 -0.994 6.184 4.530 1.00 33.00 C ATOM 260 C LYS B 1 -1.668 5.852 3.202 1.00 54.15 C ATOM 261 O LYS B 1 -2.742 6.367 2.894 1.00 64.52 O ATOM 262 CB LYS B 1 -2.055 6.438 5.602 1.00 10.24 C ATOM 263 CG LYS B 1 -2.459 5.188 6.367 1.00 42.15 C ATOM 264 CD LYS B 1 -1.408 4.798 7.392 1.00 31.30 C ATOM 265 CE LYS B 1 -1.646 5.489 8.725 1.00 4.03 C ATOM 266 NZ LYS B 1 -2.334 4.595 9.698 1.00 41.14 N ATOM 0 H1 LYS B 1 0.510 7.403 5.218 1.00 31.32 H new ATOM 0 H2 LYS B 1 0.444 7.256 3.528 1.00 31.32 H new ATOM 0 H3 LYS B 1 -0.701 8.209 4.343 1.00 31.32 H new ATOM 0 HA LYS B 1 -0.380 5.334 4.829 1.00 33.00 H new ATOM 0 HB2 LYS B 1 -1.677 7.179 6.307 1.00 10.24 H new ATOM 0 HB3 LYS B 1 -2.939 6.868 5.131 1.00 10.24 H new ATOM 0 HG2 LYS B 1 -3.412 5.359 6.868 1.00 42.15 H new ATOM 0 HG3 LYS B 1 -2.610 4.365 5.668 1.00 42.15 H new ATOM 0 HD2 LYS B 1 -1.420 3.717 7.534 1.00 31.30 H new ATOM 0 HD3 LYS B 1 -0.418 5.059 7.017 1.00 31.30 H new ATOM 0 HE2 LYS B 1 -0.692 5.813 9.141 1.00 4.03 H new ATOM 0 HE3 LYS B 1 -2.246 6.385 8.568 1.00 4.03 H new ATOM 0 HZ1 LYS B 1 -2.478 5.103 10.594 1.00 41.14 H new ATOM 0 HZ2 LYS B 1 -3.255 4.305 9.312 1.00 41.14 H new ATOM 0 HZ3 LYS B 1 -1.750 3.752 9.868 1.00 41.14 H new ATOM 280 N TYR B 2 -1.029 4.989 2.419 1.00 75.42 N ATOM 281 CA TYR B 2 -1.566 4.590 1.124 1.00 71.30 C ATOM 282 C TYR B 2 -1.962 3.117 1.130 1.00 5.51 C ATOM 283 O TYR B 2 -1.388 2.306 0.403 1.00 53.20 O ATOM 284 CB TYR B 2 -0.539 4.850 0.021 1.00 4.24 C ATOM 285 CG TYR B 2 0.891 4.636 0.463 1.00 43.24 C ATOM 286 CD1 TYR B 2 1.659 5.695 0.931 1.00 23.35 C ATOM 287 CD2 TYR B 2 1.475 3.377 0.410 1.00 0.22 C ATOM 288 CE1 TYR B 2 2.967 5.505 1.335 1.00 24.24 C ATOM 289 CE2 TYR B 2 2.781 3.177 0.813 1.00 20.21 C ATOM 290 CZ TYR B 2 3.523 4.244 1.275 1.00 61.21 C ATOM 291 OH TYR B 2 4.825 4.049 1.676 1.00 62.42 O ATOM 0 H TYR B 2 -0.139 4.553 2.659 1.00 75.42 H new ATOM 0 HA TYR B 2 -2.457 5.186 0.928 1.00 71.30 H new ATOM 0 HB2 TYR B 2 -0.751 4.194 -0.824 1.00 4.24 H new ATOM 0 HB3 TYR B 2 -0.651 5.874 -0.334 1.00 4.24 H new ATOM 0 HD1 TYR B 2 1.227 6.683 0.980 1.00 23.35 H new ATOM 0 HD2 TYR B 2 0.898 2.539 0.047 1.00 0.22 H new ATOM 0 HE1 TYR B 2 3.551 6.339 1.696 1.00 24.24 H new ATOM 0 HE2 TYR B 2 3.219 2.191 0.767 1.00 20.21 H new ATOM 0 HH TYR B 2 5.061 3.104 1.571 1.00 62.42 H new ATOM 301 N GLU B 3 -2.949 2.779 1.955 1.00 43.14 N ATOM 302 CA GLU B 3 -3.423 1.404 2.054 1.00 33.45 C ATOM 303 C GLU B 3 -4.909 1.314 1.722 1.00 32.41 C ATOM 304 O GLU B 3 -5.511 0.243 1.803 1.00 52.23 O ATOM 305 CB GLU B 3 -3.169 0.854 3.460 1.00 75.15 C ATOM 306 CG GLU B 3 -1.705 0.881 3.869 1.00 63.42 C ATOM 307 CD GLU B 3 -1.508 0.604 5.347 1.00 55.13 C ATOM 308 OE1 GLU B 3 -2.254 -0.231 5.898 1.00 24.32 O ATOM 309 OE2 GLU B 3 -0.607 1.223 5.951 1.00 32.34 O ATOM 0 H GLU B 3 -3.435 3.438 2.563 1.00 43.14 H new ATOM 0 HA GLU B 3 -2.871 0.804 1.331 1.00 33.45 H new ATOM 0 HB2 GLU B 3 -3.749 1.434 4.178 1.00 75.15 H new ATOM 0 HB3 GLU B 3 -3.533 -0.172 3.511 1.00 75.15 H new ATOM 0 HG2 GLU B 3 -1.155 0.141 3.288 1.00 63.42 H new ATOM 0 HG3 GLU B 3 -1.281 1.855 3.626 1.00 63.42 H new ATOM 316 N ILE B 4 -5.495 2.447 1.351 1.00 41.42 N ATOM 317 CA ILE B 4 -6.911 2.497 1.006 1.00 74.24 C ATOM 318 C ILE B 4 -7.111 2.984 -0.425 1.00 71.22 C ATOM 319 O ILE B 4 -8.081 2.615 -1.089 1.00 14.43 O ATOM 320 CB ILE B 4 -7.691 3.417 1.963 1.00 72.42 C ATOM 321 CG1 ILE B 4 -9.165 3.476 1.561 1.00 45.31 C ATOM 322 CG2 ILE B 4 -7.083 4.812 1.970 1.00 61.44 C ATOM 323 CD1 ILE B 4 -9.501 4.642 0.657 1.00 31.51 C ATOM 0 H ILE B 4 -5.012 3.343 1.281 1.00 41.42 H new ATOM 0 HA ILE B 4 -7.295 1.481 1.099 1.00 74.24 H new ATOM 0 HB ILE B 4 -7.625 3.007 2.971 1.00 72.42 H new ATOM 0 HG12 ILE B 4 -9.433 2.547 1.057 1.00 45.31 H new ATOM 0 HG13 ILE B 4 -9.776 3.537 2.461 1.00 45.31 H new ATOM 0 HG21 ILE B 4 -7.645 5.451 2.651 1.00 61.44 H new ATOM 0 HG22 ILE B 4 -6.045 4.755 2.299 1.00 61.44 H new ATOM 0 HG23 ILE B 4 -7.122 5.231 0.964 1.00 61.44 H new ATOM 0 HD11 ILE B 4 -10.563 4.619 0.413 1.00 31.51 H new ATOM 0 HD12 ILE B 4 -9.265 5.577 1.166 1.00 31.51 H new ATOM 0 HD13 ILE B 4 -8.917 4.571 -0.260 1.00 31.51 H new ATOM 335 N THR B 5 -6.187 3.815 -0.897 1.00 70.25 N ATOM 336 CA THR B 5 -6.262 4.353 -2.250 1.00 51.22 C ATOM 337 C THR B 5 -5.216 3.712 -3.154 1.00 15.51 C ATOM 338 O THR B 5 -5.178 3.969 -4.359 1.00 31.42 O ATOM 339 CB THR B 5 -6.064 5.881 -2.259 1.00 23.14 C ATOM 340 OG1 THR B 5 -5.559 6.317 -0.992 1.00 13.22 O ATOM 341 CG2 THR B 5 -7.373 6.594 -2.562 1.00 23.14 C ATOM 0 H THR B 5 -5.378 4.130 -0.362 1.00 70.25 H new ATOM 0 HA THR B 5 -7.258 4.121 -2.628 1.00 51.22 H new ATOM 0 HB THR B 5 -5.345 6.128 -3.040 1.00 23.14 H new ATOM 0 HG1 THR B 5 -5.434 7.289 -1.006 1.00 13.22 H new ATOM 0 HG21 THR B 5 -7.209 7.672 -2.563 1.00 23.14 H new ATOM 0 HG22 THR B 5 -7.739 6.282 -3.540 1.00 23.14 H new ATOM 0 HG23 THR B 5 -8.110 6.340 -1.800 1.00 23.14 H new ATOM 349 N THR B 6 -4.366 2.872 -2.568 1.00 63.05 N ATOM 350 CA THR B 6 -3.320 2.194 -3.321 1.00 1.22 C ATOM 351 C THR B 6 -3.446 0.681 -3.196 1.00 43.50 C ATOM 352 O THR B 6 -2.949 -0.065 -4.042 1.00 2.41 O ATOM 353 CB THR B 6 -1.918 2.622 -2.846 1.00 21.11 C ATOM 354 OG1 THR B 6 -1.196 3.221 -3.927 1.00 33.21 O ATOM 355 CG2 THR B 6 -1.141 1.428 -2.310 1.00 64.51 C ATOM 0 H THR B 6 -4.383 2.646 -1.573 1.00 63.05 H new ATOM 0 HA THR B 6 -3.445 2.481 -4.365 1.00 1.22 H new ATOM 0 HB THR B 6 -2.037 3.349 -2.043 1.00 21.11 H new ATOM 0 HG1 THR B 6 -0.376 3.633 -3.584 1.00 33.21 H new ATOM 0 HG21 THR B 6 -0.154 1.754 -1.981 1.00 64.51 H new ATOM 0 HG22 THR B 6 -1.679 0.992 -1.468 1.00 64.51 H new ATOM 0 HG23 THR B 6 -1.032 0.682 -3.097 1.00 64.51 H new ATOM 363 N ILE B 7 -4.113 0.232 -2.139 1.00 21.12 N ATOM 364 CA ILE B 7 -4.306 -1.194 -1.906 1.00 31.22 C ATOM 365 C ILE B 7 -4.890 -1.879 -3.137 1.00 60.33 C ATOM 366 O ILE B 7 -4.500 -2.993 -3.485 1.00 60.01 O ATOM 367 CB ILE B 7 -5.234 -1.448 -0.703 1.00 55.13 C ATOM 368 CG1 ILE B 7 -5.613 -2.928 -0.626 1.00 11.42 C ATOM 369 CG2 ILE B 7 -6.480 -0.581 -0.803 1.00 3.32 C ATOM 370 CD1 ILE B 7 -6.923 -3.253 -1.308 1.00 65.33 C ATOM 0 H ILE B 7 -4.529 0.835 -1.430 1.00 21.12 H new ATOM 0 HA ILE B 7 -3.323 -1.614 -1.692 1.00 31.22 H new ATOM 0 HB ILE B 7 -4.702 -1.181 0.210 1.00 55.13 H new ATOM 0 HG12 ILE B 7 -4.820 -3.522 -1.080 1.00 11.42 H new ATOM 0 HG13 ILE B 7 -5.674 -3.225 0.421 1.00 11.42 H new ATOM 0 HG21 ILE B 7 -7.126 -0.772 0.054 1.00 3.32 H new ATOM 0 HG22 ILE B 7 -6.192 0.470 -0.813 1.00 3.32 H new ATOM 0 HG23 ILE B 7 -7.016 -0.819 -1.722 1.00 3.32 H new ATOM 0 HD11 ILE B 7 -7.128 -4.319 -1.214 1.00 65.33 H new ATOM 0 HD12 ILE B 7 -7.728 -2.686 -0.839 1.00 65.33 H new ATOM 0 HD13 ILE B 7 -6.859 -2.988 -2.363 1.00 65.33 H new ATOM 382 N HIS B 8 -5.826 -1.202 -3.795 1.00 42.11 N ATOM 383 CA HIS B 8 -6.463 -1.744 -4.990 1.00 24.24 C ATOM 384 C HIS B 8 -5.619 -1.464 -6.230 1.00 13.01 C ATOM 385 O HIS B 8 -5.820 -2.073 -7.280 1.00 21.23 O ATOM 386 CB HIS B 8 -7.860 -1.147 -5.164 1.00 43.12 C ATOM 387 CG HIS B 8 -8.963 -2.079 -4.767 1.00 41.13 C ATOM 388 ND1 HIS B 8 -9.518 -2.999 -5.630 1.00 42.33 N ATOM 389 CD2 HIS B 8 -9.614 -2.229 -3.590 1.00 14.34 C ATOM 390 CE1 HIS B 8 -10.464 -3.676 -5.003 1.00 61.41 C ATOM 391 NE2 HIS B 8 -10.541 -3.228 -3.762 1.00 33.20 N ATOM 0 H HIS B 8 -6.160 -0.278 -3.521 1.00 42.11 H new ATOM 0 HA HIS B 8 -6.550 -2.824 -4.868 1.00 24.24 H new ATOM 0 HB2 HIS B 8 -7.934 -0.236 -4.570 1.00 43.12 H new ATOM 0 HB3 HIS B 8 -7.996 -0.859 -6.207 1.00 43.12 H new ATOM 0 HD2 HIS B 8 -9.438 -1.668 -2.684 1.00 14.34 H new ATOM 0 HE1 HIS B 8 -11.070 -4.461 -5.431 1.00 61.41 H new ATOM 0 HE2 HIS B 8 -11.184 -3.569 -3.048 1.00 33.20 H new ATOM 399 N ASN B 9 -4.675 -0.538 -6.100 1.00 55.11 N ATOM 400 CA ASN B 9 -3.801 -0.176 -7.211 1.00 21.44 C ATOM 401 C ASN B 9 -2.556 -1.058 -7.233 1.00 44.21 C ATOM 402 O ASN B 9 -1.814 -1.078 -8.216 1.00 21.33 O ATOM 403 CB ASN B 9 -3.394 1.296 -7.109 1.00 24.54 C ATOM 404 CG ASN B 9 -4.512 2.234 -7.522 1.00 23.42 C ATOM 405 OD1 ASN B 9 -4.521 2.753 -8.637 1.00 53.24 O ATOM 406 ND2 ASN B 9 -5.462 2.456 -6.620 1.00 53.03 N ATOM 0 H ASN B 9 -4.495 -0.025 -5.237 1.00 55.11 H new ATOM 0 HA ASN B 9 -4.352 -0.331 -8.139 1.00 21.44 H new ATOM 0 HB2 ASN B 9 -3.097 1.518 -6.084 1.00 24.54 H new ATOM 0 HB3 ASN B 9 -2.523 1.474 -7.739 1.00 24.54 H new ATOM 0 HD21 ASN B 9 -6.239 3.079 -6.841 1.00 53.03 H new ATOM 0 HD22 ASN B 9 -5.414 2.004 -5.707 1.00 53.03 H new ATOM 413 N LEU B 10 -2.335 -1.787 -6.144 1.00 70.45 N ATOM 414 CA LEU B 10 -1.181 -2.673 -6.039 1.00 31.40 C ATOM 415 C LEU B 10 -1.453 -4.006 -6.726 1.00 11.21 C ATOM 416 O LEU B 10 -0.599 -4.892 -6.746 1.00 12.52 O ATOM 417 CB LEU B 10 -0.825 -2.906 -4.569 1.00 1.01 C ATOM 418 CG LEU B 10 -1.627 -3.991 -3.849 1.00 54.13 C ATOM 419 CD1 LEU B 10 -0.918 -5.333 -3.948 1.00 70.25 C ATOM 420 CD2 LEU B 10 -1.851 -3.610 -2.393 1.00 1.41 C ATOM 0 H LEU B 10 -2.939 -1.782 -5.322 1.00 70.45 H new ATOM 0 HA LEU B 10 -0.339 -2.194 -6.539 1.00 31.40 H new ATOM 0 HB2 LEU B 10 0.233 -3.163 -4.508 1.00 1.01 H new ATOM 0 HB3 LEU B 10 -0.956 -1.967 -4.031 1.00 1.01 H new ATOM 0 HG LEU B 10 -2.599 -4.080 -4.334 1.00 54.13 H new ATOM 0 HD11 LEU B 10 -1.503 -6.093 -3.430 1.00 70.25 H new ATOM 0 HD12 LEU B 10 -0.810 -5.611 -4.996 1.00 70.25 H new ATOM 0 HD13 LEU B 10 0.068 -5.259 -3.489 1.00 70.25 H new ATOM 0 HD21 LEU B 10 -2.423 -4.393 -1.896 1.00 1.41 H new ATOM 0 HD22 LEU B 10 -0.888 -3.493 -1.895 1.00 1.41 H new ATOM 0 HD23 LEU B 10 -2.402 -2.671 -2.343 1.00 1.41 H new ATOM 432 N PHE B 11 -2.648 -4.142 -7.291 1.00 5.31 N ATOM 433 CA PHE B 11 -3.033 -5.368 -7.981 1.00 63.10 C ATOM 434 C PHE B 11 -2.254 -5.527 -9.283 1.00 65.25 C ATOM 435 O PHE B 11 -2.800 -5.345 -10.372 1.00 11.13 O ATOM 436 CB PHE B 11 -4.536 -5.365 -8.270 1.00 41.24 C ATOM 437 CG PHE B 11 -5.319 -6.291 -7.383 1.00 42.34 C ATOM 438 CD1 PHE B 11 -4.983 -6.442 -6.048 1.00 43.15 C ATOM 439 CD2 PHE B 11 -6.391 -7.010 -7.887 1.00 51.01 C ATOM 440 CE1 PHE B 11 -5.702 -7.293 -5.230 1.00 53.33 C ATOM 441 CE2 PHE B 11 -7.114 -7.863 -7.073 1.00 35.13 C ATOM 442 CZ PHE B 11 -6.768 -8.005 -5.743 1.00 52.11 C ATOM 0 H PHE B 11 -3.367 -3.418 -7.285 1.00 5.31 H new ATOM 0 HA PHE B 11 -2.796 -6.211 -7.331 1.00 63.10 H new ATOM 0 HB2 PHE B 11 -4.919 -4.351 -8.151 1.00 41.24 H new ATOM 0 HB3 PHE B 11 -4.698 -5.647 -9.310 1.00 41.24 H new ATOM 0 HD1 PHE B 11 -4.150 -5.888 -5.641 1.00 43.15 H new ATOM 0 HD2 PHE B 11 -6.665 -6.903 -8.926 1.00 51.01 H new ATOM 0 HE1 PHE B 11 -5.430 -7.401 -4.190 1.00 53.33 H new ATOM 0 HE2 PHE B 11 -7.948 -8.418 -7.477 1.00 35.13 H new ATOM 0 HZ PHE B 11 -7.330 -8.672 -5.106 1.00 52.11 H new ATOM 452 N ARG B 12 -0.975 -5.866 -9.162 1.00 54.05 N ATOM 453 CA ARG B 12 -0.119 -6.047 -10.328 1.00 4.12 C ATOM 454 C ARG B 12 -0.728 -7.056 -11.298 1.00 14.02 C ATOM 455 O ARG B 12 -0.478 -7.006 -12.502 1.00 75.34 O ATOM 456 CB ARG B 12 1.273 -6.513 -9.898 1.00 11.14 C ATOM 457 CG ARG B 12 1.252 -7.695 -8.941 1.00 5.12 C ATOM 458 CD ARG B 12 2.649 -8.242 -8.699 1.00 54.55 C ATOM 459 NE ARG B 12 2.633 -9.428 -7.848 1.00 52.42 N ATOM 460 CZ ARG B 12 3.715 -9.926 -7.261 1.00 73.24 C ATOM 461 NH1 ARG B 12 4.894 -9.343 -7.432 1.00 33.11 N ATOM 462 NH2 ARG B 12 3.620 -11.009 -6.500 1.00 13.02 N ATOM 0 H ARG B 12 -0.509 -6.021 -8.268 1.00 54.05 H new ATOM 0 HA ARG B 12 -0.032 -5.087 -10.836 1.00 4.12 H new ATOM 0 HB2 ARG B 12 1.846 -6.785 -10.785 1.00 11.14 H new ATOM 0 HB3 ARG B 12 1.795 -5.682 -9.424 1.00 11.14 H new ATOM 0 HG2 ARG B 12 0.811 -7.388 -7.992 1.00 5.12 H new ATOM 0 HG3 ARG B 12 0.617 -8.482 -9.348 1.00 5.12 H new ATOM 0 HD2 ARG B 12 3.112 -8.488 -9.654 1.00 54.55 H new ATOM 0 HD3 ARG B 12 3.265 -7.471 -8.235 1.00 54.55 H new ATOM 0 HE ARG B 12 1.742 -9.900 -7.696 1.00 52.42 H new ATOM 0 HH11 ARG B 12 4.971 -8.510 -8.016 1.00 33.11 H new ATOM 0 HH12 ARG B 12 5.723 -9.728 -6.980 1.00 33.11 H new ATOM 0 HH21 ARG B 12 2.715 -11.460 -6.365 1.00 13.02 H new ATOM 0 HH22 ARG B 12 4.452 -11.390 -6.050 1.00 13.02 H new ATOM 476 N LYS B 13 -1.529 -7.974 -10.764 1.00 73.35 N ATOM 477 CA LYS B 13 -2.175 -8.994 -11.580 1.00 13.05 C ATOM 478 C LYS B 13 -3.206 -8.370 -12.515 1.00 53.41 C ATOM 479 O LYS B 13 -3.505 -8.915 -13.578 1.00 1.53 O ATOM 480 CB LYS B 13 -2.845 -10.040 -10.688 1.00 2.33 C ATOM 481 CG LYS B 13 -3.775 -9.444 -9.645 1.00 25.34 C ATOM 482 CD LYS B 13 -5.163 -10.060 -9.718 1.00 72.43 C ATOM 483 CE LYS B 13 -5.294 -11.252 -8.782 1.00 61.22 C ATOM 484 NZ LYS B 13 -6.717 -11.558 -8.470 1.00 40.01 N ATOM 0 H LYS B 13 -1.745 -8.031 -9.769 1.00 73.35 H new ATOM 0 HA LYS B 13 -1.409 -9.479 -12.185 1.00 13.05 H new ATOM 0 HB2 LYS B 13 -3.410 -10.731 -11.314 1.00 2.33 H new ATOM 0 HB3 LYS B 13 -2.074 -10.623 -10.184 1.00 2.33 H new ATOM 0 HG2 LYS B 13 -3.357 -9.603 -8.651 1.00 25.34 H new ATOM 0 HG3 LYS B 13 -3.846 -8.366 -9.793 1.00 25.34 H new ATOM 0 HD2 LYS B 13 -5.909 -9.309 -9.459 1.00 72.43 H new ATOM 0 HD3 LYS B 13 -5.369 -10.375 -10.741 1.00 72.43 H new ATOM 0 HE2 LYS B 13 -4.826 -12.125 -9.238 1.00 61.22 H new ATOM 0 HE3 LYS B 13 -4.755 -11.048 -7.857 1.00 61.22 H new ATOM 0 HZ1 LYS B 13 -6.764 -12.376 -7.830 1.00 40.01 H new ATOM 0 HZ2 LYS B 13 -7.157 -10.734 -8.012 1.00 40.01 H new ATOM 0 HZ3 LYS B 13 -7.226 -11.778 -9.350 1.00 40.01 H new ATOM 498 N LEU B 14 -3.746 -7.225 -12.113 1.00 10.23 N ATOM 499 CA LEU B 14 -4.743 -6.526 -12.917 1.00 31.05 C ATOM 500 C LEU B 14 -4.280 -6.391 -14.364 1.00 22.44 C ATOM 501 O LEU B 14 -4.737 -7.119 -15.244 1.00 10.45 O ATOM 502 CB LEU B 14 -5.024 -5.143 -12.327 1.00 34.33 C ATOM 503 CG LEU B 14 -5.943 -4.238 -13.147 1.00 21.21 C ATOM 504 CD1 LEU B 14 -7.349 -4.816 -13.202 1.00 44.04 C ATOM 505 CD2 LEU B 14 -5.965 -2.832 -12.564 1.00 43.54 C ATOM 0 H LEU B 14 -3.511 -6.761 -11.236 1.00 10.23 H new ATOM 0 HA LEU B 14 -5.661 -7.113 -12.903 1.00 31.05 H new ATOM 0 HB2 LEU B 14 -5.464 -5.274 -11.339 1.00 34.33 H new ATOM 0 HB3 LEU B 14 -4.073 -4.630 -12.187 1.00 34.33 H new ATOM 0 HG LEU B 14 -5.555 -4.182 -14.164 1.00 21.21 H new ATOM 0 HD11 LEU B 14 -7.990 -4.159 -13.790 1.00 44.04 H new ATOM 0 HD12 LEU B 14 -7.319 -5.802 -13.665 1.00 44.04 H new ATOM 0 HD13 LEU B 14 -7.747 -4.902 -12.191 1.00 44.04 H new ATOM 0 HD21 LEU B 14 -6.624 -2.201 -13.160 1.00 43.54 H new ATOM 0 HD22 LEU B 14 -6.329 -2.869 -11.537 1.00 43.54 H new ATOM 0 HD23 LEU B 14 -4.957 -2.417 -12.576 1.00 43.54 H new ATOM 517 N THR B 15 -3.367 -5.454 -14.602 1.00 64.41 N ATOM 518 CA THR B 15 -2.841 -5.222 -15.941 1.00 31.04 C ATOM 519 C THR B 15 -1.341 -5.490 -15.996 1.00 4.14 C ATOM 520 O THR B 15 -0.910 -6.637 -16.120 1.00 10.00 O ATOM 521 CB THR B 15 -3.111 -3.780 -16.410 1.00 63.01 C ATOM 522 OG1 THR B 15 -3.033 -2.881 -15.298 1.00 34.31 O ATOM 523 CG2 THR B 15 -4.481 -3.670 -17.062 1.00 54.12 C ATOM 0 H THR B 15 -2.977 -4.844 -13.884 1.00 64.41 H new ATOM 0 HA THR B 15 -3.356 -5.914 -16.607 1.00 31.04 H new ATOM 0 HB THR B 15 -2.353 -3.513 -17.147 1.00 63.01 H new ATOM 0 HG1 THR B 15 -3.204 -1.966 -15.604 1.00 34.31 H new ATOM 0 HG21 THR B 15 -4.649 -2.643 -17.385 1.00 54.12 H new ATOM 0 HG22 THR B 15 -4.527 -4.334 -17.925 1.00 54.12 H new ATOM 0 HG23 THR B 15 -5.250 -3.955 -16.344 1.00 54.12 H new ATOM 531 N HIS B 16 -0.551 -4.426 -15.903 1.00 21.54 N ATOM 532 CA HIS B 16 0.902 -4.548 -15.940 1.00 63.43 C ATOM 533 C HIS B 16 1.534 -3.900 -14.711 1.00 3.20 C ATOM 534 O HIS B 16 1.699 -4.544 -13.675 1.00 74.42 O ATOM 535 CB HIS B 16 1.456 -3.904 -17.211 1.00 24.22 C ATOM 536 CG HIS B 16 2.951 -3.933 -17.295 1.00 70.00 C ATOM 537 ND1 HIS B 16 3.680 -3.035 -18.046 1.00 42.41 N ATOM 538 CD2 HIS B 16 3.854 -4.757 -16.715 1.00 1.02 C ATOM 539 CE1 HIS B 16 4.967 -3.308 -17.926 1.00 73.20 C ATOM 540 NE2 HIS B 16 5.100 -4.348 -17.123 1.00 11.11 N ATOM 0 H HIS B 16 -0.892 -3.470 -15.802 1.00 21.54 H new ATOM 0 HA HIS B 16 1.153 -5.609 -15.939 1.00 63.43 H new ATOM 0 HB2 HIS B 16 1.042 -4.417 -18.079 1.00 24.22 H new ATOM 0 HB3 HIS B 16 1.118 -2.869 -17.261 1.00 24.22 H new ATOM 0 HD1 HIS B 16 3.287 -2.279 -18.606 1.00 42.41 H new ATOM 0 HD2 HIS B 16 3.636 -5.583 -16.054 1.00 1.02 H new ATOM 0 HE1 HIS B 16 5.774 -2.772 -18.404 1.00 73.20 H new ATOM 548 N ARG B 17 1.884 -2.624 -14.834 1.00 54.54 N ATOM 549 CA ARG B 17 2.499 -1.891 -13.735 1.00 63.11 C ATOM 550 C ARG B 17 1.720 -0.614 -13.430 1.00 55.41 C ATOM 551 O ARG B 17 1.857 0.391 -14.128 1.00 54.02 O ATOM 552 CB ARG B 17 3.951 -1.547 -14.072 1.00 63.13 C ATOM 553 CG ARG B 17 4.888 -2.742 -14.021 1.00 62.23 C ATOM 554 CD ARG B 17 6.172 -2.477 -14.791 1.00 32.01 C ATOM 555 NE ARG B 17 7.029 -3.659 -14.849 1.00 71.33 N ATOM 556 CZ ARG B 17 7.727 -4.112 -13.814 1.00 74.52 C ATOM 557 NH1 ARG B 17 7.670 -3.486 -12.646 1.00 61.13 N ATOM 558 NH2 ARG B 17 8.485 -5.193 -13.945 1.00 3.53 N ATOM 0 H ARG B 17 1.752 -2.076 -15.684 1.00 54.54 H new ATOM 0 HA ARG B 17 2.480 -2.528 -12.851 1.00 63.11 H new ATOM 0 HB2 ARG B 17 3.989 -1.108 -15.069 1.00 63.13 H new ATOM 0 HB3 ARG B 17 4.306 -0.787 -13.376 1.00 63.13 H new ATOM 0 HG2 ARG B 17 5.126 -2.975 -12.983 1.00 62.23 H new ATOM 0 HG3 ARG B 17 4.387 -3.616 -14.437 1.00 62.23 H new ATOM 0 HD2 ARG B 17 5.928 -2.156 -15.804 1.00 32.01 H new ATOM 0 HD3 ARG B 17 6.715 -1.658 -14.319 1.00 32.01 H new ATOM 0 HE ARG B 17 7.095 -4.164 -15.733 1.00 71.33 H new ATOM 0 HH11 ARG B 17 7.089 -2.654 -12.541 1.00 61.13 H new ATOM 0 HH12 ARG B 17 8.207 -3.836 -11.853 1.00 61.13 H new ATOM 0 HH21 ARG B 17 8.532 -5.677 -14.841 1.00 3.53 H new ATOM 0 HH22 ARG B 17 9.021 -5.540 -13.149 1.00 3.53 H new ATOM 572 N LEU B 18 0.903 -0.662 -12.385 1.00 30.32 N ATOM 573 CA LEU B 18 0.101 0.490 -11.987 1.00 60.33 C ATOM 574 C LEU B 18 0.437 0.923 -10.563 1.00 0.44 C ATOM 575 O LEU B 18 -0.244 1.767 -9.983 1.00 74.41 O ATOM 576 CB LEU B 18 -1.389 0.161 -12.094 1.00 34.41 C ATOM 577 CG LEU B 18 -1.815 -1.206 -11.559 1.00 14.42 C ATOM 578 CD1 LEU B 18 -3.124 -1.097 -10.795 1.00 33.12 C ATOM 579 CD2 LEU B 18 -1.942 -2.208 -12.698 1.00 71.13 C ATOM 0 H LEU B 18 0.778 -1.486 -11.797 1.00 30.32 H new ATOM 0 HA LEU B 18 0.334 1.314 -12.662 1.00 60.33 H new ATOM 0 HB2 LEU B 18 -1.949 0.928 -11.560 1.00 34.41 H new ATOM 0 HB3 LEU B 18 -1.680 0.225 -13.142 1.00 34.41 H new ATOM 0 HG LEU B 18 -1.047 -1.561 -10.872 1.00 14.42 H new ATOM 0 HD11 LEU B 18 -3.411 -2.080 -10.422 1.00 33.12 H new ATOM 0 HD12 LEU B 18 -3.000 -0.413 -9.956 1.00 33.12 H new ATOM 0 HD13 LEU B 18 -3.902 -0.720 -11.458 1.00 33.12 H new ATOM 0 HD21 LEU B 18 -2.246 -3.176 -12.299 1.00 71.13 H new ATOM 0 HD22 LEU B 18 -2.690 -1.858 -13.409 1.00 71.13 H new ATOM 0 HD23 LEU B 18 -0.981 -2.309 -13.202 1.00 71.13 H new ATOM 591 N PHE B 19 1.492 0.337 -10.006 1.00 54.14 N ATOM 592 CA PHE B 19 1.921 0.663 -8.651 1.00 24.44 C ATOM 593 C PHE B 19 3.357 1.177 -8.642 1.00 60.34 C ATOM 594 O PHE B 19 3.711 2.048 -7.847 1.00 24.44 O ATOM 595 CB PHE B 19 1.802 -0.567 -7.747 1.00 41.00 C ATOM 596 CG PHE B 19 1.889 -0.245 -6.283 1.00 71.42 C ATOM 597 CD1 PHE B 19 1.198 0.833 -5.755 1.00 31.55 C ATOM 598 CD2 PHE B 19 2.663 -1.020 -5.435 1.00 15.23 C ATOM 599 CE1 PHE B 19 1.276 1.132 -4.406 1.00 42.32 C ATOM 600 CE2 PHE B 19 2.745 -0.728 -4.087 1.00 74.43 C ATOM 601 CZ PHE B 19 2.051 0.351 -3.572 1.00 74.11 C ATOM 0 H PHE B 19 2.065 -0.366 -10.472 1.00 54.14 H new ATOM 0 HA PHE B 19 1.271 1.451 -8.271 1.00 24.44 H new ATOM 0 HB2 PHE B 19 0.852 -1.064 -7.946 1.00 41.00 H new ATOM 0 HB3 PHE B 19 2.591 -1.274 -8.003 1.00 41.00 H new ATOM 0 HD1 PHE B 19 0.591 1.447 -6.404 1.00 31.55 H new ATOM 0 HD2 PHE B 19 3.209 -1.863 -5.832 1.00 15.23 H new ATOM 0 HE1 PHE B 19 0.732 1.975 -4.006 1.00 42.32 H new ATOM 0 HE2 PHE B 19 3.350 -1.342 -3.437 1.00 74.43 H new ATOM 0 HZ PHE B 19 2.115 0.583 -2.519 1.00 74.11 H new ATOM 611 N ARG B 20 4.180 0.632 -9.532 1.00 61.11 N ATOM 612 CA ARG B 20 5.578 1.034 -9.626 1.00 64.11 C ATOM 613 C ARG B 20 5.806 1.928 -10.841 1.00 64.33 C ATOM 614 O ARG B 20 6.494 2.946 -10.756 1.00 11.41 O ATOM 615 CB ARG B 20 6.481 -0.197 -9.710 1.00 4.22 C ATOM 616 CG ARG B 20 6.692 -0.890 -8.374 1.00 64.01 C ATOM 617 CD ARG B 20 5.753 -2.075 -8.206 1.00 11.21 C ATOM 618 NE ARG B 20 6.382 -3.332 -8.603 1.00 11.34 N ATOM 619 CZ ARG B 20 7.288 -3.965 -7.867 1.00 22.53 C ATOM 620 NH1 ARG B 20 7.669 -3.462 -6.700 1.00 44.52 N ATOM 621 NH2 ARG B 20 7.815 -5.105 -8.295 1.00 51.01 N ATOM 0 H ARG B 20 3.903 -0.089 -10.198 1.00 61.11 H new ATOM 0 HA ARG B 20 5.828 1.599 -8.728 1.00 64.11 H new ATOM 0 HB2 ARG B 20 6.048 -0.908 -10.414 1.00 4.22 H new ATOM 0 HB3 ARG B 20 7.449 0.100 -10.113 1.00 4.22 H new ATOM 0 HG2 ARG B 20 7.725 -1.229 -8.298 1.00 64.01 H new ATOM 0 HG3 ARG B 20 6.530 -0.178 -7.564 1.00 64.01 H new ATOM 0 HD2 ARG B 20 5.435 -2.141 -7.165 1.00 11.21 H new ATOM 0 HD3 ARG B 20 4.856 -1.914 -8.803 1.00 11.21 H new ATOM 0 HE ARG B 20 6.110 -3.746 -9.495 1.00 11.34 H new ATOM 0 HH11 ARG B 20 7.266 -2.587 -6.366 1.00 44.52 H new ATOM 0 HH12 ARG B 20 8.365 -3.951 -6.137 1.00 44.52 H new ATOM 0 HH21 ARG B 20 7.524 -5.497 -9.191 1.00 51.01 H new ATOM 0 HH22 ARG B 20 8.511 -5.590 -7.728 1.00 51.01 H new ATOM 635 N ARG B 21 5.223 1.542 -11.971 1.00 40.11 N ATOM 636 CA ARG B 21 5.364 2.308 -13.204 1.00 4.03 C ATOM 637 C ARG B 21 4.443 3.526 -13.196 1.00 13.52 C ATOM 638 O ARG B 21 4.507 4.369 -14.089 1.00 44.54 O ATOM 639 CB ARG B 21 5.050 1.427 -14.416 1.00 33.45 C ATOM 640 CG ARG B 21 5.134 2.163 -15.743 1.00 21.53 C ATOM 641 CD ARG B 21 3.756 2.570 -16.240 1.00 54.14 C ATOM 642 NE ARG B 21 3.738 3.944 -16.737 1.00 23.10 N ATOM 643 CZ ARG B 21 2.687 4.496 -17.333 1.00 43.11 C ATOM 644 NH1 ARG B 21 1.575 3.795 -17.506 1.00 20.32 N ATOM 645 NH2 ARG B 21 2.748 5.752 -17.757 1.00 44.13 N ATOM 0 H ARG B 21 4.649 0.704 -12.059 1.00 40.11 H new ATOM 0 HA ARG B 21 6.396 2.654 -13.271 1.00 4.03 H new ATOM 0 HB2 ARG B 21 5.743 0.586 -14.432 1.00 33.45 H new ATOM 0 HB3 ARG B 21 4.048 1.012 -14.303 1.00 33.45 H new ATOM 0 HG2 ARG B 21 5.758 3.049 -15.630 1.00 21.53 H new ATOM 0 HG3 ARG B 21 5.616 1.526 -16.484 1.00 21.53 H new ATOM 0 HD2 ARG B 21 3.442 1.893 -17.034 1.00 54.14 H new ATOM 0 HD3 ARG B 21 3.034 2.468 -15.430 1.00 54.14 H new ATOM 0 HE ARG B 21 4.578 4.510 -16.620 1.00 23.10 H new ATOM 0 HH11 ARG B 21 1.525 2.829 -17.181 1.00 20.32 H new ATOM 0 HH12 ARG B 21 0.769 4.221 -17.964 1.00 20.32 H new ATOM 0 HH21 ARG B 21 3.602 6.294 -17.625 1.00 44.13 H new ATOM 0 HH22 ARG B 21 1.941 6.176 -18.215 1.00 44.13 H new ATOM 659 N ASN B 22 3.589 3.608 -12.182 1.00 72.10 N ATOM 660 CA ASN B 22 2.655 4.722 -12.057 1.00 55.35 C ATOM 661 C ASN B 22 2.883 5.480 -10.754 1.00 71.51 C ATOM 662 O ASN B 22 3.249 6.656 -10.763 1.00 23.00 O ATOM 663 CB ASN B 22 1.214 4.214 -12.121 1.00 23.23 C ATOM 664 CG ASN B 22 0.218 5.330 -12.374 1.00 75.12 C ATOM 665 OD1 ASN B 22 -0.175 6.047 -11.454 1.00 62.44 O ATOM 666 ND2 ASN B 22 -0.194 5.482 -13.627 1.00 24.04 N ATOM 0 H ASN B 22 3.524 2.917 -11.435 1.00 72.10 H new ATOM 0 HA ASN B 22 2.829 5.406 -12.888 1.00 55.35 H new ATOM 0 HB2 ASN B 22 1.129 3.469 -12.912 1.00 23.23 H new ATOM 0 HB3 ASN B 22 0.966 3.715 -11.184 1.00 23.23 H new ATOM 0 HD21 ASN B 22 -0.863 6.216 -13.858 1.00 24.04 H new ATOM 0 HD22 ASN B 22 0.158 4.864 -14.358 1.00 24.04 H new ATOM 673 N PHE B 23 2.664 4.800 -9.634 1.00 13.35 N ATOM 674 CA PHE B 23 2.845 5.409 -8.320 1.00 41.45 C ATOM 675 C PHE B 23 4.247 5.135 -7.783 1.00 1.35 C ATOM 676 O PHE B 23 4.522 5.344 -6.602 1.00 65.03 O ATOM 677 CB PHE B 23 1.797 4.878 -7.341 1.00 71.51 C ATOM 678 CG PHE B 23 0.385 5.052 -7.822 1.00 12.51 C ATOM 679 CD1 PHE B 23 -0.162 6.316 -7.966 1.00 64.02 C ATOM 680 CD2 PHE B 23 -0.396 3.949 -8.129 1.00 31.20 C ATOM 681 CE1 PHE B 23 -1.461 6.479 -8.409 1.00 70.12 C ATOM 682 CE2 PHE B 23 -1.695 4.105 -8.573 1.00 62.24 C ATOM 683 CZ PHE B 23 -2.229 5.372 -8.712 1.00 22.53 C ATOM 0 H PHE B 23 2.361 3.826 -9.609 1.00 13.35 H new ATOM 0 HA PHE B 23 2.720 6.487 -8.425 1.00 41.45 H new ATOM 0 HB2 PHE B 23 1.983 3.819 -7.161 1.00 71.51 H new ATOM 0 HB3 PHE B 23 1.912 5.389 -6.385 1.00 71.51 H new ATOM 0 HD1 PHE B 23 0.434 7.185 -7.729 1.00 64.02 H new ATOM 0 HD2 PHE B 23 0.015 2.956 -8.020 1.00 31.20 H new ATOM 0 HE1 PHE B 23 -1.875 7.471 -8.518 1.00 70.12 H new ATOM 0 HE2 PHE B 23 -2.293 3.238 -8.811 1.00 62.24 H new ATOM 0 HZ PHE B 23 -3.245 5.496 -9.057 1.00 22.53 H new ATOM 693 N GLY B 24 5.129 4.663 -8.658 1.00 12.13 N ATOM 694 CA GLY B 24 6.491 4.366 -8.253 1.00 22.14 C ATOM 695 C GLY B 24 7.505 5.268 -8.925 1.00 70.13 C ATOM 696 O GLY B 24 8.674 5.297 -8.540 1.00 24.13 O ATOM 0 H GLY B 24 4.925 4.481 -9.641 1.00 12.13 H new ATOM 0 HA2 GLY B 24 6.576 4.471 -7.171 1.00 22.14 H new ATOM 0 HA3 GLY B 24 6.719 3.327 -8.491 1.00 22.14 H new ATOM 700 N TYR B 25 7.060 6.007 -9.936 1.00 25.53 N ATOM 701 CA TYR B 25 7.939 6.912 -10.666 1.00 61.05 C ATOM 702 C TYR B 25 8.524 7.971 -9.738 1.00 74.44 C ATOM 703 O TYR B 25 9.543 8.590 -10.045 1.00 35.22 O ATOM 704 CB TYR B 25 7.176 7.586 -11.809 1.00 52.40 C ATOM 705 CG TYR B 25 7.499 7.015 -13.171 1.00 14.21 C ATOM 706 CD1 TYR B 25 7.215 5.689 -13.476 1.00 44.24 C ATOM 707 CD2 TYR B 25 8.090 7.801 -14.154 1.00 14.05 C ATOM 708 CE1 TYR B 25 7.508 5.164 -14.719 1.00 12.43 C ATOM 709 CE2 TYR B 25 8.386 7.283 -15.399 1.00 74.12 C ATOM 710 CZ TYR B 25 8.094 5.964 -15.678 1.00 60.54 C ATOM 711 OH TYR B 25 8.389 5.445 -16.918 1.00 20.51 O ATOM 0 H TYR B 25 6.096 5.997 -10.268 1.00 25.53 H new ATOM 0 HA TYR B 25 8.759 6.325 -11.080 1.00 61.05 H new ATOM 0 HB2 TYR B 25 6.106 7.488 -11.628 1.00 52.40 H new ATOM 0 HB3 TYR B 25 7.403 8.652 -11.808 1.00 52.40 H new ATOM 0 HD1 TYR B 25 6.757 5.059 -12.728 1.00 44.24 H new ATOM 0 HD2 TYR B 25 8.321 8.834 -13.940 1.00 14.05 H new ATOM 0 HE1 TYR B 25 7.279 4.132 -14.939 1.00 12.43 H new ATOM 0 HE2 TYR B 25 8.844 7.908 -16.151 1.00 74.12 H new ATOM 0 HH TYR B 25 8.797 6.140 -17.475 1.00 20.51 H new ATOM 721 N THR B 26 7.871 8.176 -8.597 1.00 14.41 N ATOM 722 CA THR B 26 8.325 9.160 -7.623 1.00 4.44 C ATOM 723 C THR B 26 9.800 8.966 -7.291 1.00 13.44 C ATOM 724 O THR B 26 10.519 9.929 -7.026 1.00 75.04 O ATOM 725 CB THR B 26 7.504 9.081 -6.322 1.00 71.33 C ATOM 726 OG1 THR B 26 7.740 10.247 -5.523 1.00 22.14 O ATOM 727 CG2 THR B 26 7.864 7.835 -5.529 1.00 31.43 C ATOM 0 H THR B 26 7.026 7.673 -8.326 1.00 14.41 H new ATOM 0 HA THR B 26 8.184 10.141 -8.076 1.00 4.44 H new ATOM 0 HB THR B 26 6.448 9.030 -6.587 1.00 71.33 H new ATOM 0 HG1 THR B 26 7.214 10.190 -4.698 1.00 22.14 H new ATOM 0 HG21 THR B 26 7.271 7.802 -4.615 1.00 31.43 H new ATOM 0 HG22 THR B 26 7.656 6.949 -6.129 1.00 31.43 H new ATOM 0 HG23 THR B 26 8.923 7.860 -5.274 1.00 31.43 H new ATOM 735 N LEU B 27 10.245 7.714 -7.308 1.00 75.12 N ATOM 736 CA LEU B 27 11.637 7.394 -7.010 1.00 14.34 C ATOM 737 C LEU B 27 12.331 6.792 -8.229 1.00 72.52 C ATOM 738 O LEU B 27 13.543 6.928 -8.395 1.00 2.33 O ATOM 739 CB LEU B 27 11.716 6.419 -5.833 1.00 62.43 C ATOM 740 CG LEU B 27 11.223 4.998 -6.104 1.00 14.40 C ATOM 741 CD1 LEU B 27 12.398 4.038 -6.213 1.00 21.04 C ATOM 742 CD2 LEU B 27 10.264 4.549 -5.011 1.00 52.32 C ATOM 0 H LEU B 27 9.663 6.905 -7.525 1.00 75.12 H new ATOM 0 HA LEU B 27 12.147 8.320 -6.744 1.00 14.34 H new ATOM 0 HB2 LEU B 27 12.753 6.365 -5.501 1.00 62.43 H new ATOM 0 HB3 LEU B 27 11.137 6.831 -5.006 1.00 62.43 H new ATOM 0 HG LEU B 27 10.687 4.994 -7.053 1.00 14.40 H new ATOM 0 HD11 LEU B 27 12.028 3.031 -6.406 1.00 21.04 H new ATOM 0 HD12 LEU B 27 13.047 4.349 -7.031 1.00 21.04 H new ATOM 0 HD13 LEU B 27 12.961 4.045 -5.280 1.00 21.04 H new ATOM 0 HD21 LEU B 27 9.923 3.535 -5.220 1.00 52.32 H new ATOM 0 HD22 LEU B 27 10.775 4.569 -4.048 1.00 52.32 H new ATOM 0 HD23 LEU B 27 9.406 5.221 -4.981 1.00 52.32 H new ATOM 754 N ARG B 28 11.553 6.131 -9.080 1.00 32.05 N ATOM 755 CA ARG B 28 12.093 5.511 -10.283 1.00 0.12 C ATOM 756 C ARG B 28 12.424 6.564 -11.336 1.00 23.12 C ATOM 757 O ARG B 28 13.571 6.688 -11.764 1.00 72.35 O ATOM 758 CB ARG B 28 11.095 4.500 -10.853 1.00 71.03 C ATOM 759 CG ARG B 28 11.740 3.422 -11.706 1.00 11.52 C ATOM 760 CD ARG B 28 12.584 2.476 -10.864 1.00 40.54 C ATOM 761 NE ARG B 28 12.230 1.078 -11.092 1.00 52.43 N ATOM 762 CZ ARG B 28 12.955 0.055 -10.651 1.00 62.12 C ATOM 763 NH1 ARG B 28 14.065 0.275 -9.961 1.00 34.20 N ATOM 764 NH2 ARG B 28 12.567 -1.190 -10.899 1.00 34.32 N ATOM 0 H ARG B 28 10.547 6.011 -8.958 1.00 32.05 H new ATOM 0 HA ARG B 28 13.012 4.991 -10.013 1.00 0.12 H new ATOM 0 HB2 ARG B 28 10.559 4.028 -10.030 1.00 71.03 H new ATOM 0 HB3 ARG B 28 10.355 5.031 -11.452 1.00 71.03 H new ATOM 0 HG2 ARG B 28 10.967 2.857 -12.226 1.00 11.52 H new ATOM 0 HG3 ARG B 28 12.364 3.886 -12.470 1.00 11.52 H new ATOM 0 HD2 ARG B 28 13.638 2.626 -11.097 1.00 40.54 H new ATOM 0 HD3 ARG B 28 12.454 2.716 -9.809 1.00 40.54 H new ATOM 0 HE ARG B 28 11.380 0.875 -11.618 1.00 52.43 H new ATOM 0 HH11 ARG B 28 14.364 1.231 -9.768 1.00 34.20 H new ATOM 0 HH12 ARG B 28 14.620 -0.511 -9.623 1.00 34.20 H new ATOM 0 HH21 ARG B 28 11.712 -1.362 -11.428 1.00 34.32 H new ATOM 0 HH22 ARG B 28 13.124 -1.975 -10.560 1.00 34.32 H new TER 778 ARG B 28