USER MOD reduce.3.24.130724 H: found=0, std=0, add=684, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 682 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 65 TYR OH : rot -99:sc= -0.0156 USER MOD Set 1.2: A 69 ASN : amide:sc= 0.0637 X(o=0.048,f=-0.089) USER MOD Set 2.1: A 42 SER OG : rot 151:sc= 1.01 USER MOD Set 2.2: A 49 HIS : no HE2:sc= 0.589 K(o=1.6,f=-5.8!) USER MOD Single : A 1 SER N :NH3+ -173:sc= -0.11 (180deg=-0.111) USER MOD Single : A 1 SER OG : rot 180:sc=0.000466 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -136:sc= 1.56 (180deg=0.251) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot -100:sc= 0.0869 USER MOD Single : A 15 SER OG : rot -35:sc= 0.00126 USER MOD Single : A 18 LYS NZ :NH3+ 171:sc= 0.717 (180deg=0.669) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl 164:sc= -0.111 (180deg=-0.485) USER MOD Single : A 23 LYS NZ :NH3+ -143:sc= 1.25 (180deg=0.893) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= -0.891 K(o=-0.87,f=-2.7) USER MOD Single : A 32 LYS NZ :NH3+ -167:sc= -0.0486 (180deg=-0.289) USER MOD Single : A 33 MET CE :methyl -139:sc= -1.63 (180deg=-3.6!) USER MOD Single : A 37 THR OG1 : rot -87:sc= 0.569 USER MOD Single : A 38 THR OG1 : rot 131:sc= 0.483 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= -0.0294 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.51 K(o=-0.51,f=-7.2!) USER MOD Single : A 52 HIS : no HD1:sc= -3.17! C(o=-3.2!,f=-3.2!) USER MOD Single : A 54 LYS NZ :NH3+ -145:sc= -0.113 (180deg=-0.503) USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 168:sc= -0.134 USER MOD Single : A 59 LYS NZ :NH3+ -172:sc= 0.871 (180deg=0.833) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ -152:sc= 1.17 (180deg=0.795) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 19.254 -5.935 -7.866 1.00 50.24 N ATOM 2 CA SER A 1 18.724 -6.656 -6.734 1.00 70.02 C ATOM 3 C SER A 1 17.664 -5.842 -5.976 1.00 0.32 C ATOM 4 O SER A 1 17.055 -6.332 -5.021 1.00 64.05 O ATOM 5 CB SER A 1 19.877 -7.051 -5.810 1.00 14.31 C ATOM 6 OG SER A 1 20.649 -5.902 -5.445 1.00 3.02 O ATOM 0 H1 SER A 1 19.876 -6.561 -8.416 1.00 50.24 H new ATOM 0 H2 SER A 1 18.471 -5.609 -8.467 1.00 50.24 H new ATOM 0 H3 SER A 1 19.798 -5.114 -7.531 1.00 50.24 H new ATOM 0 HA SER A 1 18.223 -7.553 -7.098 1.00 70.02 H new ATOM 0 HB2 SER A 1 19.483 -7.531 -4.914 1.00 14.31 H new ATOM 0 HB3 SER A 1 20.515 -7.781 -6.308 1.00 14.31 H new ATOM 0 HG SER A 1 21.381 -6.174 -4.853 1.00 3.02 H new ATOM 12 N LYS A 2 17.432 -4.617 -6.404 1.00 10.44 N ATOM 13 CA LYS A 2 16.495 -3.753 -5.714 1.00 41.54 C ATOM 14 C LYS A 2 15.619 -3.014 -6.700 1.00 34.53 C ATOM 15 O LYS A 2 15.918 -2.973 -7.902 1.00 75.41 O ATOM 16 CB LYS A 2 17.261 -2.739 -4.861 1.00 71.04 C ATOM 17 CG LYS A 2 18.189 -1.837 -5.676 1.00 31.15 C ATOM 18 CD LYS A 2 18.944 -0.851 -4.811 1.00 24.14 C ATOM 19 CE LYS A 2 19.848 -1.557 -3.819 1.00 72.01 C ATOM 20 NZ LYS A 2 20.633 -0.604 -3.010 1.00 40.23 N ATOM 0 H LYS A 2 17.876 -4.199 -7.221 1.00 10.44 H new ATOM 0 HA LYS A 2 15.862 -4.372 -5.078 1.00 41.54 H new ATOM 0 HB2 LYS A 2 16.547 -2.118 -4.319 1.00 71.04 H new ATOM 0 HB3 LYS A 2 17.849 -3.274 -4.115 1.00 71.04 H new ATOM 0 HG2 LYS A 2 18.901 -2.454 -6.224 1.00 31.15 H new ATOM 0 HG3 LYS A 2 17.603 -1.292 -6.416 1.00 31.15 H new ATOM 0 HD2 LYS A 2 19.540 -0.193 -5.443 1.00 24.14 H new ATOM 0 HD3 LYS A 2 18.236 -0.220 -4.274 1.00 24.14 H new ATOM 0 HE2 LYS A 2 19.245 -2.181 -3.160 1.00 72.01 H new ATOM 0 HE3 LYS A 2 20.526 -2.221 -4.355 1.00 72.01 H new ATOM 0 HZ1 LYS A 2 21.237 -1.128 -2.345 1.00 40.23 H new ATOM 0 HZ2 LYS A 2 21.228 -0.025 -3.636 1.00 40.23 H new ATOM 0 HZ3 LYS A 2 19.987 0.014 -2.478 1.00 40.23 H new ATOM 34 N CYS A 3 14.548 -2.451 -6.197 1.00 32.00 N ATOM 35 CA CYS A 3 13.660 -1.629 -6.977 1.00 73.01 C ATOM 36 C CYS A 3 12.652 -0.989 -6.066 1.00 10.41 C ATOM 37 O CYS A 3 12.143 -1.644 -5.134 1.00 34.12 O ATOM 38 CB CYS A 3 12.928 -2.435 -8.052 1.00 51.35 C ATOM 39 SG CYS A 3 11.811 -3.739 -7.428 1.00 1.33 S ATOM 0 H CYS A 3 14.266 -2.553 -5.222 1.00 32.00 H new ATOM 0 HA CYS A 3 14.261 -0.871 -7.480 1.00 73.01 H new ATOM 0 HB2 CYS A 3 12.348 -1.747 -8.666 1.00 51.35 H new ATOM 0 HB3 CYS A 3 13.669 -2.897 -8.704 1.00 51.35 H new ATOM 44 N LYS A 4 12.381 0.268 -6.294 1.00 12.30 N ATOM 45 CA LYS A 4 11.396 0.977 -5.544 1.00 2.44 C ATOM 46 C LYS A 4 11.158 2.316 -6.235 1.00 72.54 C ATOM 47 O LYS A 4 11.961 2.737 -7.073 1.00 4.24 O ATOM 48 CB LYS A 4 11.854 1.164 -4.079 1.00 51.32 C ATOM 49 CG LYS A 4 10.748 1.577 -3.135 1.00 2.31 C ATOM 50 CD LYS A 4 11.231 1.657 -1.704 1.00 20.53 C ATOM 51 CE LYS A 4 10.091 2.000 -0.771 1.00 62.21 C ATOM 52 NZ LYS A 4 9.442 3.288 -1.135 1.00 4.40 N ATOM 0 H LYS A 4 12.844 0.827 -7.011 1.00 12.30 H new ATOM 0 HA LYS A 4 10.463 0.414 -5.509 1.00 2.44 H new ATOM 0 HB2 LYS A 4 12.290 0.230 -3.724 1.00 51.32 H new ATOM 0 HB3 LYS A 4 12.642 1.916 -4.049 1.00 51.32 H new ATOM 0 HG2 LYS A 4 10.353 2.546 -3.440 1.00 2.31 H new ATOM 0 HG3 LYS A 4 9.927 0.863 -3.202 1.00 2.31 H new ATOM 0 HD2 LYS A 4 11.673 0.705 -1.411 1.00 20.53 H new ATOM 0 HD3 LYS A 4 12.014 2.411 -1.621 1.00 20.53 H new ATOM 0 HE2 LYS A 4 9.350 1.201 -0.795 1.00 62.21 H new ATOM 0 HE3 LYS A 4 10.464 2.058 0.251 1.00 62.21 H new ATOM 0 HZ1 LYS A 4 9.275 3.848 -0.275 1.00 4.40 H new ATOM 0 HZ2 LYS A 4 10.062 3.820 -1.779 1.00 4.40 H new ATOM 0 HZ3 LYS A 4 8.535 3.098 -1.607 1.00 4.40 H new ATOM 66 N CYS A 5 10.060 2.948 -5.922 1.00 1.54 N ATOM 67 CA CYS A 5 9.688 4.215 -6.529 1.00 10.52 C ATOM 68 C CYS A 5 10.639 5.314 -6.055 1.00 34.24 C ATOM 69 O CYS A 5 11.100 6.146 -6.838 1.00 25.40 O ATOM 70 CB CYS A 5 8.283 4.552 -6.090 1.00 43.14 C ATOM 71 SG CYS A 5 7.161 3.127 -6.137 1.00 22.24 S ATOM 0 H CYS A 5 9.388 2.604 -5.236 1.00 1.54 H new ATOM 0 HA CYS A 5 9.744 4.140 -7.615 1.00 10.52 H new ATOM 0 HB2 CYS A 5 8.312 4.951 -5.076 1.00 43.14 H new ATOM 0 HB3 CYS A 5 7.887 5.340 -6.731 1.00 43.14 H new ATOM 76 N SER A 6 10.928 5.287 -4.773 1.00 0.42 N ATOM 77 CA SER A 6 11.798 6.228 -4.139 1.00 33.23 C ATOM 78 C SER A 6 12.261 5.577 -2.839 1.00 62.41 C ATOM 79 O SER A 6 11.532 4.727 -2.291 1.00 74.12 O ATOM 80 CB SER A 6 11.031 7.547 -3.872 1.00 3.13 C ATOM 81 OG SER A 6 11.866 8.561 -3.319 1.00 73.10 O ATOM 0 H SER A 6 10.550 4.588 -4.134 1.00 0.42 H new ATOM 0 HA SER A 6 12.656 6.478 -4.762 1.00 33.23 H new ATOM 0 HB2 SER A 6 10.597 7.907 -4.805 1.00 3.13 H new ATOM 0 HB3 SER A 6 10.203 7.351 -3.191 1.00 3.13 H new ATOM 0 HG SER A 6 11.339 9.374 -3.170 1.00 73.10 H new ATOM 87 N ARG A 7 13.452 5.939 -2.375 1.00 32.43 N ATOM 88 CA ARG A 7 14.061 5.352 -1.171 1.00 4.01 C ATOM 89 C ARG A 7 13.154 5.449 0.050 1.00 75.01 C ATOM 90 O ARG A 7 12.738 6.546 0.444 1.00 64.30 O ATOM 91 CB ARG A 7 15.379 6.034 -0.850 1.00 63.41 C ATOM 92 CG ARG A 7 16.453 5.910 -1.915 1.00 14.31 C ATOM 93 CD ARG A 7 17.661 6.738 -1.526 1.00 71.53 C ATOM 94 NE ARG A 7 17.283 8.147 -1.341 1.00 21.02 N ATOM 95 CZ ARG A 7 17.947 9.040 -0.605 1.00 3.13 C ATOM 96 NH1 ARG A 7 19.094 8.711 -0.022 1.00 5.13 N ATOM 97 NH2 ARG A 7 17.461 10.271 -0.470 1.00 55.22 N ATOM 0 H ARG A 7 14.031 6.651 -2.821 1.00 32.43 H new ATOM 0 HA ARG A 7 14.224 4.298 -1.396 1.00 4.01 H new ATOM 0 HB2 ARG A 7 15.187 7.092 -0.673 1.00 63.41 H new ATOM 0 HB3 ARG A 7 15.765 5.620 0.081 1.00 63.41 H new ATOM 0 HG2 ARG A 7 16.740 4.865 -2.035 1.00 14.31 H new ATOM 0 HG3 ARG A 7 16.065 6.246 -2.877 1.00 14.31 H new ATOM 0 HD2 ARG A 7 18.095 6.348 -0.605 1.00 71.53 H new ATOM 0 HD3 ARG A 7 18.427 6.659 -2.298 1.00 71.53 H new ATOM 0 HE ARG A 7 16.440 8.470 -1.817 1.00 21.02 H new ATOM 0 HH11 ARG A 7 19.473 7.771 -0.136 1.00 5.13 H new ATOM 0 HH12 ARG A 7 19.596 9.399 0.539 1.00 5.13 H new ATOM 0 HH21 ARG A 7 16.586 10.527 -0.928 1.00 55.22 H new ATOM 0 HH22 ARG A 7 17.963 10.959 0.091 1.00 55.22 H new ATOM 111 N LYS A 8 12.873 4.291 0.638 1.00 64.23 N ATOM 112 CA LYS A 8 12.050 4.138 1.843 1.00 2.32 C ATOM 113 C LYS A 8 10.578 4.486 1.644 1.00 53.25 C ATOM 114 O LYS A 8 10.203 5.211 0.717 1.00 22.53 O ATOM 115 CB LYS A 8 12.669 4.810 3.082 1.00 63.31 C ATOM 116 CG LYS A 8 13.990 4.171 3.487 1.00 33.21 C ATOM 117 CD LYS A 8 14.584 4.788 4.736 1.00 13.14 C ATOM 118 CE LYS A 8 15.877 4.073 5.114 1.00 4.02 C ATOM 119 NZ LYS A 8 16.494 4.627 6.336 1.00 30.11 N ATOM 0 H LYS A 8 13.221 3.401 0.281 1.00 64.23 H new ATOM 0 HA LYS A 8 12.053 3.067 2.048 1.00 2.32 H new ATOM 0 HB2 LYS A 8 12.828 5.869 2.877 1.00 63.31 H new ATOM 0 HB3 LYS A 8 11.968 4.748 3.914 1.00 63.31 H new ATOM 0 HG2 LYS A 8 13.837 3.105 3.652 1.00 33.21 H new ATOM 0 HG3 LYS A 8 14.701 4.267 2.667 1.00 33.21 H new ATOM 0 HD2 LYS A 8 14.781 5.847 4.569 1.00 13.14 H new ATOM 0 HD3 LYS A 8 13.870 4.723 5.557 1.00 13.14 H new ATOM 0 HE2 LYS A 8 15.672 3.013 5.263 1.00 4.02 H new ATOM 0 HE3 LYS A 8 16.584 4.148 4.288 1.00 4.02 H new ATOM 0 HZ1 LYS A 8 17.369 4.107 6.550 1.00 30.11 H new ATOM 0 HZ2 LYS A 8 16.716 5.632 6.188 1.00 30.11 H new ATOM 0 HZ3 LYS A 8 15.832 4.533 7.133 1.00 30.11 H new ATOM 133 N GLY A 9 9.749 3.915 2.472 1.00 10.02 N ATOM 134 CA GLY A 9 8.338 4.119 2.361 1.00 32.20 C ATOM 135 C GLY A 9 7.832 5.141 3.348 1.00 32.03 C ATOM 136 O GLY A 9 8.032 4.980 4.555 1.00 33.54 O ATOM 0 H GLY A 9 10.032 3.301 3.236 1.00 10.02 H new ATOM 0 HA2 GLY A 9 8.098 4.444 1.349 1.00 32.20 H new ATOM 0 HA3 GLY A 9 7.822 3.173 2.523 1.00 32.20 H new ATOM 140 N PRO A 10 7.217 6.228 2.868 1.00 24.43 N ATOM 141 CA PRO A 10 6.601 7.237 3.732 1.00 51.51 C ATOM 142 C PRO A 10 5.411 6.649 4.477 1.00 32.14 C ATOM 143 O PRO A 10 4.845 5.628 4.048 1.00 54.11 O ATOM 144 CB PRO A 10 6.113 8.308 2.745 1.00 60.22 C ATOM 145 CG PRO A 10 6.880 8.058 1.503 1.00 21.01 C ATOM 146 CD PRO A 10 7.094 6.582 1.453 1.00 3.24 C ATOM 0 HA PRO A 10 7.289 7.620 4.485 1.00 51.51 H new ATOM 0 HB2 PRO A 10 5.040 8.225 2.570 1.00 60.22 H new ATOM 0 HB3 PRO A 10 6.297 9.312 3.128 1.00 60.22 H new ATOM 0 HG2 PRO A 10 6.331 8.404 0.627 1.00 21.01 H new ATOM 0 HG3 PRO A 10 7.830 8.592 1.515 1.00 21.01 H new ATOM 0 HD2 PRO A 10 6.259 6.067 0.978 1.00 3.24 H new ATOM 0 HD3 PRO A 10 7.991 6.321 0.891 1.00 3.24 H new ATOM 154 N LYS A 11 5.031 7.278 5.569 1.00 1.35 N ATOM 155 CA LYS A 11 3.922 6.807 6.363 1.00 3.33 C ATOM 156 C LYS A 11 2.619 6.929 5.595 1.00 61.24 C ATOM 157 O LYS A 11 2.360 7.946 4.926 1.00 60.25 O ATOM 158 CB LYS A 11 3.829 7.548 7.694 1.00 22.21 C ATOM 159 CG LYS A 11 5.017 7.355 8.612 1.00 45.32 C ATOM 160 CD LYS A 11 4.792 8.068 9.933 1.00 62.34 C ATOM 161 CE LYS A 11 5.950 7.864 10.892 1.00 5.34 C ATOM 162 NZ LYS A 11 5.707 8.523 12.195 1.00 33.33 N ATOM 0 H LYS A 11 5.479 8.122 5.927 1.00 1.35 H new ATOM 0 HA LYS A 11 4.100 5.754 6.580 1.00 3.33 H new ATOM 0 HB2 LYS A 11 3.712 8.613 7.494 1.00 22.21 H new ATOM 0 HB3 LYS A 11 2.929 7.221 8.214 1.00 22.21 H new ATOM 0 HG2 LYS A 11 5.178 6.292 8.789 1.00 45.32 H new ATOM 0 HG3 LYS A 11 5.919 7.738 8.134 1.00 45.32 H new ATOM 0 HD2 LYS A 11 4.655 9.134 9.751 1.00 62.34 H new ATOM 0 HD3 LYS A 11 3.873 7.702 10.391 1.00 62.34 H new ATOM 0 HE2 LYS A 11 6.109 6.797 11.048 1.00 5.34 H new ATOM 0 HE3 LYS A 11 6.863 8.261 10.449 1.00 5.34 H new ATOM 0 HZ1 LYS A 11 6.520 8.361 12.823 1.00 33.33 H new ATOM 0 HZ2 LYS A 11 5.580 9.545 12.049 1.00 33.33 H new ATOM 0 HZ3 LYS A 11 4.849 8.127 12.630 1.00 33.33 H new ATOM 176 N ILE A 12 1.820 5.897 5.666 1.00 23.21 N ATOM 177 CA ILE A 12 0.555 5.838 4.969 1.00 65.42 C ATOM 178 C ILE A 12 -0.460 5.226 5.892 1.00 63.43 C ATOM 179 O ILE A 12 -0.145 4.281 6.607 1.00 31.42 O ATOM 180 CB ILE A 12 0.644 4.914 3.718 1.00 61.13 C ATOM 181 CG1 ILE A 12 1.853 5.261 2.858 1.00 4.22 C ATOM 182 CG2 ILE A 12 -0.624 5.051 2.876 1.00 31.10 C ATOM 183 CD1 ILE A 12 2.042 4.332 1.692 1.00 52.43 C ATOM 0 H ILE A 12 2.028 5.063 6.215 1.00 23.21 H new ATOM 0 HA ILE A 12 0.285 6.848 4.660 1.00 65.42 H new ATOM 0 HB ILE A 12 0.749 3.888 4.070 1.00 61.13 H new ATOM 0 HG12 ILE A 12 1.745 6.280 2.487 1.00 4.22 H new ATOM 0 HG13 ILE A 12 2.749 5.240 3.478 1.00 4.22 H new ATOM 0 HG21 ILE A 12 -0.553 4.402 2.003 1.00 31.10 H new ATOM 0 HG22 ILE A 12 -1.490 4.764 3.473 1.00 31.10 H new ATOM 0 HG23 ILE A 12 -0.735 6.085 2.550 1.00 31.10 H new ATOM 0 HD11 ILE A 12 2.920 4.637 1.123 1.00 52.43 H new ATOM 0 HD12 ILE A 12 2.181 3.314 2.057 1.00 52.43 H new ATOM 0 HD13 ILE A 12 1.162 4.370 1.050 1.00 52.43 H new ATOM 195 N ARG A 13 -1.633 5.773 5.926 1.00 74.25 N ATOM 196 CA ARG A 13 -2.706 5.155 6.625 1.00 2.31 C ATOM 197 C ARG A 13 -3.726 4.703 5.611 1.00 3.42 C ATOM 198 O ARG A 13 -3.666 5.111 4.456 1.00 45.00 O ATOM 199 CB ARG A 13 -3.303 6.046 7.716 1.00 35.45 C ATOM 200 CG ARG A 13 -2.285 6.446 8.772 1.00 2.13 C ATOM 201 CD ARG A 13 -2.904 7.224 9.912 1.00 2.21 C ATOM 202 NE ARG A 13 -1.888 7.644 10.898 1.00 25.23 N ATOM 203 CZ ARG A 13 -1.976 7.461 12.230 1.00 45.32 C ATOM 204 NH1 ARG A 13 -2.971 6.741 12.750 1.00 64.54 N ATOM 205 NH2 ARG A 13 -1.043 7.972 13.031 1.00 63.52 N ATOM 0 H ARG A 13 -1.870 6.655 5.472 1.00 74.25 H new ATOM 0 HA ARG A 13 -2.329 4.289 7.170 1.00 2.31 H new ATOM 0 HB2 ARG A 13 -3.718 6.944 7.259 1.00 35.45 H new ATOM 0 HB3 ARG A 13 -4.130 5.522 8.195 1.00 35.45 H new ATOM 0 HG2 ARG A 13 -1.805 5.550 9.167 1.00 2.13 H new ATOM 0 HG3 ARG A 13 -1.504 7.048 8.308 1.00 2.13 H new ATOM 0 HD2 ARG A 13 -3.415 8.103 9.518 1.00 2.21 H new ATOM 0 HD3 ARG A 13 -3.658 6.611 10.405 1.00 2.21 H new ATOM 0 HE ARG A 13 -1.053 8.110 10.542 1.00 25.23 H new ATOM 0 HH11 ARG A 13 -3.673 6.324 12.138 1.00 64.54 H new ATOM 0 HH12 ARG A 13 -3.030 6.607 13.759 1.00 64.54 H new ATOM 0 HH21 ARG A 13 -0.265 8.500 12.636 1.00 63.52 H new ATOM 0 HH22 ARG A 13 -1.106 7.835 14.040 1.00 63.52 H new ATOM 219 N TYR A 14 -4.643 3.885 6.018 1.00 11.33 N ATOM 220 CA TYR A 14 -5.593 3.264 5.097 1.00 42.01 C ATOM 221 C TYR A 14 -6.534 4.315 4.506 1.00 34.32 C ATOM 222 O TYR A 14 -7.030 4.173 3.388 1.00 10.53 O ATOM 223 CB TYR A 14 -6.379 2.196 5.844 1.00 34.33 C ATOM 224 CG TYR A 14 -5.484 1.304 6.674 1.00 3.42 C ATOM 225 CD1 TYR A 14 -4.691 0.328 6.092 1.00 43.15 C ATOM 226 CD2 TYR A 14 -5.415 1.468 8.054 1.00 55.51 C ATOM 227 CE1 TYR A 14 -3.857 -0.453 6.858 1.00 73.53 C ATOM 228 CE2 TYR A 14 -4.588 0.689 8.822 1.00 51.10 C ATOM 229 CZ TYR A 14 -3.808 -0.268 8.225 1.00 51.34 C ATOM 230 OH TYR A 14 -2.967 -1.041 8.997 1.00 52.14 O ATOM 0 H TYR A 14 -4.770 3.617 6.994 1.00 11.33 H new ATOM 0 HA TYR A 14 -5.051 2.803 4.271 1.00 42.01 H new ATOM 0 HB2 TYR A 14 -7.114 2.674 6.492 1.00 34.33 H new ATOM 0 HB3 TYR A 14 -6.933 1.588 5.129 1.00 34.33 H new ATOM 0 HD1 TYR A 14 -4.728 0.179 5.023 1.00 43.15 H new ATOM 0 HD2 TYR A 14 -6.024 2.223 8.529 1.00 55.51 H new ATOM 0 HE1 TYR A 14 -3.242 -1.209 6.391 1.00 73.53 H new ATOM 0 HE2 TYR A 14 -4.551 0.829 9.892 1.00 51.10 H new ATOM 0 HH TYR A 14 -3.480 -1.761 9.419 1.00 52.14 H new ATOM 240 N SER A 15 -6.729 5.376 5.253 1.00 75.13 N ATOM 241 CA SER A 15 -7.578 6.480 4.864 1.00 42.33 C ATOM 242 C SER A 15 -6.905 7.345 3.784 1.00 22.32 C ATOM 243 O SER A 15 -7.549 8.188 3.152 1.00 71.45 O ATOM 244 CB SER A 15 -7.850 7.323 6.087 1.00 41.32 C ATOM 245 OG SER A 15 -8.389 6.522 7.132 1.00 73.20 O ATOM 0 H SER A 15 -6.294 5.500 6.167 1.00 75.13 H new ATOM 0 HA SER A 15 -8.507 6.088 4.449 1.00 42.33 H new ATOM 0 HB2 SER A 15 -6.927 7.797 6.422 1.00 41.32 H new ATOM 0 HB3 SER A 15 -8.547 8.123 5.837 1.00 41.32 H new ATOM 0 HG SER A 15 -8.970 5.832 6.749 1.00 73.20 H new ATOM 251 N ASP A 16 -5.612 7.139 3.589 1.00 24.44 N ATOM 252 CA ASP A 16 -4.846 7.890 2.594 1.00 53.14 C ATOM 253 C ASP A 16 -5.014 7.249 1.253 1.00 34.32 C ATOM 254 O ASP A 16 -4.957 7.914 0.210 1.00 21.15 O ATOM 255 CB ASP A 16 -3.325 7.859 2.920 1.00 61.34 C ATOM 256 CG ASP A 16 -2.913 8.601 4.169 1.00 61.25 C ATOM 257 OD1 ASP A 16 -3.352 8.234 5.268 1.00 73.24 O ATOM 258 OD2 ASP A 16 -2.088 9.538 4.069 1.00 1.54 O ATOM 0 H ASP A 16 -5.063 6.454 4.109 1.00 24.44 H new ATOM 0 HA ASP A 16 -5.211 8.917 2.601 1.00 53.14 H new ATOM 0 HB2 ASP A 16 -3.013 6.819 3.016 1.00 61.34 H new ATOM 0 HB3 ASP A 16 -2.781 8.278 2.073 1.00 61.34 H new ATOM 263 N VAL A 17 -5.254 5.973 1.287 1.00 11.11 N ATOM 264 CA VAL A 17 -5.256 5.145 0.111 1.00 44.12 C ATOM 265 C VAL A 17 -6.618 5.125 -0.562 1.00 64.33 C ATOM 266 O VAL A 17 -7.641 5.137 0.097 1.00 45.02 O ATOM 267 CB VAL A 17 -4.911 3.680 0.500 1.00 45.03 C ATOM 268 CG1 VAL A 17 -4.714 2.803 -0.713 1.00 4.41 C ATOM 269 CG2 VAL A 17 -3.740 3.592 1.462 1.00 3.24 C ATOM 0 H VAL A 17 -5.458 5.465 2.148 1.00 11.11 H new ATOM 0 HA VAL A 17 -4.518 5.562 -0.574 1.00 44.12 H new ATOM 0 HB VAL A 17 -5.778 3.293 1.035 1.00 45.03 H new ATOM 0 HG11 VAL A 17 -4.475 1.789 -0.394 1.00 4.41 H new ATOM 0 HG12 VAL A 17 -5.629 2.791 -1.305 1.00 4.41 H new ATOM 0 HG13 VAL A 17 -3.896 3.196 -1.317 1.00 4.41 H new ATOM 0 HG21 VAL A 17 -3.542 2.547 1.700 1.00 3.24 H new ATOM 0 HG22 VAL A 17 -2.856 4.032 1.001 1.00 3.24 H new ATOM 0 HG23 VAL A 17 -3.979 4.133 2.377 1.00 3.24 H new ATOM 279 N LYS A 18 -6.624 5.136 -1.874 1.00 32.12 N ATOM 280 CA LYS A 18 -7.840 4.846 -2.612 1.00 43.11 C ATOM 281 C LYS A 18 -7.742 3.449 -3.164 1.00 11.22 C ATOM 282 O LYS A 18 -8.700 2.681 -3.153 1.00 40.13 O ATOM 283 CB LYS A 18 -8.103 5.792 -3.785 1.00 45.31 C ATOM 284 CG LYS A 18 -8.355 7.240 -3.427 1.00 71.42 C ATOM 285 CD LYS A 18 -9.070 7.969 -4.573 1.00 4.45 C ATOM 286 CE LYS A 18 -8.295 7.972 -5.898 1.00 44.35 C ATOM 287 NZ LYS A 18 -7.080 8.825 -5.875 1.00 33.41 N ATOM 0 H LYS A 18 -5.809 5.340 -2.453 1.00 32.12 H new ATOM 0 HA LYS A 18 -8.663 4.970 -1.908 1.00 43.11 H new ATOM 0 HB2 LYS A 18 -7.248 5.749 -4.459 1.00 45.31 H new ATOM 0 HB3 LYS A 18 -8.965 5.420 -4.339 1.00 45.31 H new ATOM 0 HG2 LYS A 18 -8.959 7.295 -2.522 1.00 71.42 H new ATOM 0 HG3 LYS A 18 -7.409 7.735 -3.209 1.00 71.42 H new ATOM 0 HD2 LYS A 18 -10.042 7.503 -4.735 1.00 4.45 H new ATOM 0 HD3 LYS A 18 -9.257 9.000 -4.272 1.00 4.45 H new ATOM 0 HE2 LYS A 18 -8.006 6.950 -6.142 1.00 44.35 H new ATOM 0 HE3 LYS A 18 -8.955 8.316 -6.694 1.00 44.35 H new ATOM 0 HZ1 LYS A 18 -6.526 8.664 -6.740 1.00 33.41 H new ATOM 0 HZ2 LYS A 18 -7.359 9.826 -5.824 1.00 33.41 H new ATOM 0 HZ3 LYS A 18 -6.503 8.584 -5.044 1.00 33.41 H new ATOM 301 N LYS A 19 -6.553 3.118 -3.603 1.00 64.25 N ATOM 302 CA LYS A 19 -6.265 1.859 -4.263 1.00 31.13 C ATOM 303 C LYS A 19 -4.913 1.348 -3.864 1.00 45.04 C ATOM 304 O LYS A 19 -3.955 2.122 -3.727 1.00 4.11 O ATOM 305 CB LYS A 19 -6.316 1.971 -5.797 1.00 41.14 C ATOM 306 CG LYS A 19 -7.685 2.231 -6.387 1.00 62.44 C ATOM 307 CD LYS A 19 -7.619 2.243 -7.902 1.00 45.53 C ATOM 308 CE LYS A 19 -8.995 2.414 -8.517 1.00 42.43 C ATOM 309 NZ LYS A 19 -8.943 2.409 -9.991 1.00 23.34 N ATOM 0 H LYS A 19 -5.739 3.725 -3.512 1.00 64.25 H new ATOM 0 HA LYS A 19 -7.041 1.164 -3.944 1.00 31.13 H new ATOM 0 HB2 LYS A 19 -5.648 2.774 -6.107 1.00 41.14 H new ATOM 0 HB3 LYS A 19 -5.925 1.048 -6.224 1.00 41.14 H new ATOM 0 HG2 LYS A 19 -8.383 1.462 -6.054 1.00 62.44 H new ATOM 0 HG3 LYS A 19 -8.067 3.186 -6.027 1.00 62.44 H new ATOM 0 HD2 LYS A 19 -6.968 3.053 -8.232 1.00 45.53 H new ATOM 0 HD3 LYS A 19 -7.174 1.313 -8.255 1.00 45.53 H new ATOM 0 HE2 LYS A 19 -9.648 1.612 -8.174 1.00 42.43 H new ATOM 0 HE3 LYS A 19 -9.433 3.351 -8.172 1.00 42.43 H new ATOM 0 HZ1 LYS A 19 -9.903 2.528 -10.373 1.00 23.34 H new ATOM 0 HZ2 LYS A 19 -8.340 3.190 -10.320 1.00 23.34 H new ATOM 0 HZ3 LYS A 19 -8.549 1.505 -10.321 1.00 23.34 H new ATOM 323 N LEU A 20 -4.845 0.072 -3.676 1.00 63.01 N ATOM 324 CA LEU A 20 -3.646 -0.615 -3.318 1.00 61.34 C ATOM 325 C LEU A 20 -3.573 -1.829 -4.204 1.00 63.21 C ATOM 326 O LEU A 20 -4.521 -2.631 -4.254 1.00 12.31 O ATOM 327 CB LEU A 20 -3.689 -0.968 -1.812 1.00 54.11 C ATOM 328 CG LEU A 20 -2.458 -1.635 -1.171 1.00 15.42 C ATOM 329 CD1 LEU A 20 -2.605 -1.607 0.342 1.00 72.30 C ATOM 330 CD2 LEU A 20 -2.312 -3.081 -1.630 1.00 73.43 C ATOM 0 H LEU A 20 -5.652 -0.545 -3.771 1.00 63.01 H new ATOM 0 HA LEU A 20 -2.751 -0.010 -3.464 1.00 61.34 H new ATOM 0 HB2 LEU A 20 -3.889 -0.048 -1.263 1.00 54.11 H new ATOM 0 HB3 LEU A 20 -4.542 -1.627 -1.652 1.00 54.11 H new ATOM 0 HG LEU A 20 -1.570 -1.083 -1.479 1.00 15.42 H new ATOM 0 HD11 LEU A 20 -1.736 -2.078 0.801 1.00 72.30 H new ATOM 0 HD12 LEU A 20 -2.679 -0.574 0.681 1.00 72.30 H new ATOM 0 HD13 LEU A 20 -3.506 -2.149 0.630 1.00 72.30 H new ATOM 0 HD21 LEU A 20 -1.434 -3.525 -1.160 1.00 73.43 H new ATOM 0 HD22 LEU A 20 -3.200 -3.645 -1.345 1.00 73.43 H new ATOM 0 HD23 LEU A 20 -2.197 -3.109 -2.714 1.00 73.43 H new ATOM 342 N GLU A 21 -2.496 -1.959 -4.908 1.00 54.52 N ATOM 343 CA GLU A 21 -2.340 -3.013 -5.852 1.00 30.11 C ATOM 344 C GLU A 21 -0.990 -3.647 -5.656 1.00 3.21 C ATOM 345 O GLU A 21 0.011 -2.941 -5.557 1.00 55.10 O ATOM 346 CB GLU A 21 -2.461 -2.410 -7.253 1.00 72.23 C ATOM 347 CG GLU A 21 -2.344 -3.388 -8.390 1.00 33.35 C ATOM 348 CD GLU A 21 -2.554 -2.722 -9.720 1.00 75.40 C ATOM 349 OE1 GLU A 21 -3.691 -2.310 -10.012 1.00 14.33 O ATOM 350 OE2 GLU A 21 -1.589 -2.621 -10.517 1.00 2.30 O ATOM 0 H GLU A 21 -1.695 -1.331 -4.842 1.00 54.52 H new ATOM 0 HA GLU A 21 -3.103 -3.780 -5.720 1.00 30.11 H new ATOM 0 HB2 GLU A 21 -3.423 -1.903 -7.330 1.00 72.23 H new ATOM 0 HB3 GLU A 21 -1.690 -1.649 -7.370 1.00 72.23 H new ATOM 0 HG2 GLU A 21 -1.359 -3.855 -8.368 1.00 33.35 H new ATOM 0 HG3 GLU A 21 -3.077 -4.184 -8.262 1.00 33.35 H new ATOM 357 N MET A 22 -0.938 -4.954 -5.569 1.00 5.10 N ATOM 358 CA MET A 22 0.322 -5.585 -5.405 1.00 72.14 C ATOM 359 C MET A 22 0.847 -6.121 -6.722 1.00 73.14 C ATOM 360 O MET A 22 0.256 -7.008 -7.349 1.00 40.42 O ATOM 361 CB MET A 22 0.309 -6.664 -4.308 1.00 60.24 C ATOM 362 CG MET A 22 -0.647 -7.823 -4.528 1.00 63.20 C ATOM 363 SD MET A 22 -0.496 -9.107 -3.257 1.00 60.32 S ATOM 364 CE MET A 22 -0.906 -8.189 -1.768 1.00 23.11 C ATOM 0 H MET A 22 -1.743 -5.579 -5.609 1.00 5.10 H new ATOM 0 HA MET A 22 1.015 -4.816 -5.063 1.00 72.14 H new ATOM 0 HB2 MET A 22 1.318 -7.065 -4.208 1.00 60.24 H new ATOM 0 HB3 MET A 22 0.059 -6.188 -3.360 1.00 60.24 H new ATOM 0 HG2 MET A 22 -1.670 -7.447 -4.539 1.00 63.20 H new ATOM 0 HG3 MET A 22 -0.458 -8.263 -5.507 1.00 63.20 H new ATOM 0 HE1 MET A 22 -1.132 -8.886 -0.961 1.00 23.11 H new ATOM 0 HE2 MET A 22 -0.060 -7.564 -1.481 1.00 23.11 H new ATOM 0 HE3 MET A 22 -1.775 -7.559 -1.957 1.00 23.11 H new ATOM 374 N LYS A 23 1.911 -5.521 -7.148 1.00 12.52 N ATOM 375 CA LYS A 23 2.671 -5.893 -8.305 1.00 53.31 C ATOM 376 C LYS A 23 4.056 -5.287 -8.165 1.00 31.50 C ATOM 377 O LYS A 23 4.177 -4.188 -7.634 1.00 42.21 O ATOM 378 CB LYS A 23 1.922 -5.582 -9.657 1.00 52.44 C ATOM 379 CG LYS A 23 1.340 -4.170 -9.839 1.00 32.13 C ATOM 380 CD LYS A 23 2.387 -3.095 -10.028 1.00 13.05 C ATOM 381 CE LYS A 23 1.745 -1.717 -10.175 1.00 73.12 C ATOM 382 NZ LYS A 23 0.835 -1.618 -11.333 1.00 23.53 N ATOM 0 H LYS A 23 2.299 -4.708 -6.670 1.00 12.52 H new ATOM 0 HA LYS A 23 2.789 -6.975 -8.358 1.00 53.31 H new ATOM 0 HB2 LYS A 23 2.616 -5.768 -10.476 1.00 52.44 H new ATOM 0 HB3 LYS A 23 1.107 -6.298 -9.762 1.00 52.44 H new ATOM 0 HG2 LYS A 23 0.674 -4.171 -10.702 1.00 32.13 H new ATOM 0 HG3 LYS A 23 0.733 -3.923 -8.968 1.00 32.13 H new ATOM 0 HD2 LYS A 23 3.067 -3.093 -9.176 1.00 13.05 H new ATOM 0 HD3 LYS A 23 2.984 -3.317 -10.913 1.00 13.05 H new ATOM 0 HE2 LYS A 23 1.192 -1.483 -9.266 1.00 73.12 H new ATOM 0 HE3 LYS A 23 2.530 -0.967 -10.273 1.00 73.12 H new ATOM 0 HZ1 LYS A 23 0.921 -0.675 -11.762 1.00 23.53 H new ATOM 0 HZ2 LYS A 23 1.087 -2.342 -12.035 1.00 23.53 H new ATOM 0 HZ3 LYS A 23 -0.145 -1.767 -11.018 1.00 23.53 H new ATOM 396 N PRO A 24 5.126 -5.987 -8.565 1.00 64.31 N ATOM 397 CA PRO A 24 6.485 -5.487 -8.376 1.00 13.31 C ATOM 398 C PRO A 24 6.763 -4.240 -9.201 1.00 1.20 C ATOM 399 O PRO A 24 6.117 -3.996 -10.235 1.00 45.43 O ATOM 400 CB PRO A 24 7.366 -6.653 -8.823 1.00 44.25 C ATOM 401 CG PRO A 24 6.518 -7.380 -9.804 1.00 52.31 C ATOM 402 CD PRO A 24 5.117 -7.287 -9.260 1.00 70.44 C ATOM 0 HA PRO A 24 6.668 -5.182 -7.346 1.00 13.31 H new ATOM 0 HB2 PRO A 24 8.293 -6.303 -9.277 1.00 44.25 H new ATOM 0 HB3 PRO A 24 7.643 -7.290 -7.983 1.00 44.25 H new ATOM 0 HG2 PRO A 24 6.587 -6.929 -10.794 1.00 52.31 H new ATOM 0 HG3 PRO A 24 6.834 -8.419 -9.904 1.00 52.31 H new ATOM 0 HD2 PRO A 24 4.371 -7.317 -10.054 1.00 70.44 H new ATOM 0 HD3 PRO A 24 4.891 -8.108 -8.580 1.00 70.44 H new ATOM 410 N LYS A 25 7.700 -3.441 -8.736 1.00 30.34 N ATOM 411 CA LYS A 25 8.064 -2.237 -9.442 1.00 41.50 C ATOM 412 C LYS A 25 8.906 -2.687 -10.650 1.00 4.25 C ATOM 413 O LYS A 25 8.839 -2.122 -11.744 1.00 2.35 O ATOM 414 CB LYS A 25 8.874 -1.316 -8.503 1.00 44.11 C ATOM 415 CG LYS A 25 8.634 0.174 -8.698 1.00 25.41 C ATOM 416 CD LYS A 25 9.086 0.631 -10.048 1.00 31.13 C ATOM 417 CE LYS A 25 8.644 2.053 -10.327 1.00 44.25 C ATOM 418 NZ LYS A 25 9.027 2.507 -11.677 1.00 51.43 N ATOM 0 H LYS A 25 8.221 -3.605 -7.874 1.00 30.34 H new ATOM 0 HA LYS A 25 7.193 -1.672 -9.775 1.00 41.50 H new ATOM 0 HB2 LYS A 25 8.636 -1.575 -7.471 1.00 44.11 H new ATOM 0 HB3 LYS A 25 9.935 -1.519 -8.646 1.00 44.11 H new ATOM 0 HG2 LYS A 25 7.573 0.391 -8.576 1.00 25.41 H new ATOM 0 HG3 LYS A 25 9.165 0.733 -7.927 1.00 25.41 H new ATOM 0 HD2 LYS A 25 10.172 0.567 -10.110 1.00 31.13 H new ATOM 0 HD3 LYS A 25 8.683 -0.033 -10.812 1.00 31.13 H new ATOM 0 HE2 LYS A 25 7.562 2.122 -10.217 1.00 44.25 H new ATOM 0 HE3 LYS A 25 9.083 2.719 -9.585 1.00 44.25 H new ATOM 0 HZ1 LYS A 25 8.703 3.485 -11.819 1.00 51.43 H new ATOM 0 HZ2 LYS A 25 10.062 2.468 -11.776 1.00 51.43 H new ATOM 0 HZ3 LYS A 25 8.587 1.889 -12.389 1.00 51.43 H new ATOM 432 N TYR A 26 9.686 -3.732 -10.409 1.00 3.20 N ATOM 433 CA TYR A 26 10.492 -4.403 -11.405 1.00 52.54 C ATOM 434 C TYR A 26 10.306 -5.909 -11.244 1.00 62.14 C ATOM 435 O TYR A 26 10.367 -6.412 -10.132 1.00 75.12 O ATOM 436 CB TYR A 26 11.983 -4.042 -11.252 1.00 43.23 C ATOM 437 CG TYR A 26 12.388 -2.665 -11.757 1.00 73.30 C ATOM 438 CD1 TYR A 26 11.946 -1.506 -11.148 1.00 24.20 C ATOM 439 CD2 TYR A 26 13.240 -2.540 -12.843 1.00 22.55 C ATOM 440 CE1 TYR A 26 12.329 -0.268 -11.603 1.00 12.11 C ATOM 441 CE2 TYR A 26 13.629 -1.303 -13.304 1.00 62.40 C ATOM 442 CZ TYR A 26 13.166 -0.170 -12.678 1.00 25.44 C ATOM 443 OH TYR A 26 13.546 1.068 -13.128 1.00 31.23 O ATOM 0 H TYR A 26 9.774 -4.146 -9.481 1.00 3.20 H new ATOM 0 HA TYR A 26 10.172 -4.082 -12.397 1.00 52.54 H new ATOM 0 HB2 TYR A 26 12.248 -4.113 -10.197 1.00 43.23 H new ATOM 0 HB3 TYR A 26 12.574 -4.790 -11.780 1.00 43.23 H new ATOM 0 HD1 TYR A 26 11.285 -1.575 -10.296 1.00 24.20 H new ATOM 0 HD2 TYR A 26 13.605 -3.429 -13.336 1.00 22.55 H new ATOM 0 HE1 TYR A 26 11.970 0.625 -11.113 1.00 12.11 H new ATOM 0 HE2 TYR A 26 14.293 -1.223 -14.152 1.00 62.40 H new ATOM 0 HH TYR A 26 14.143 0.967 -13.898 1.00 31.23 H new ATOM 453 N PRO A 27 10.050 -6.642 -12.342 1.00 23.44 N ATOM 454 CA PRO A 27 9.846 -8.119 -12.310 1.00 3.12 C ATOM 455 C PRO A 27 11.026 -8.903 -11.676 1.00 51.44 C ATOM 456 O PRO A 27 10.847 -10.025 -11.183 1.00 74.11 O ATOM 457 CB PRO A 27 9.701 -8.489 -13.786 1.00 24.12 C ATOM 458 CG PRO A 27 9.248 -7.236 -14.455 1.00 24.44 C ATOM 459 CD PRO A 27 9.884 -6.102 -13.708 1.00 44.43 C ATOM 0 HA PRO A 27 8.988 -8.379 -11.691 1.00 3.12 H new ATOM 0 HB2 PRO A 27 10.647 -8.838 -14.200 1.00 24.12 H new ATOM 0 HB3 PRO A 27 8.978 -9.293 -13.922 1.00 24.12 H new ATOM 0 HG2 PRO A 27 9.546 -7.226 -15.503 1.00 24.44 H new ATOM 0 HG3 PRO A 27 8.161 -7.155 -14.432 1.00 24.44 H new ATOM 0 HD2 PRO A 27 10.841 -5.818 -14.147 1.00 44.43 H new ATOM 0 HD3 PRO A 27 9.254 -5.213 -13.715 1.00 44.43 H new ATOM 467 N HIS A 28 12.212 -8.303 -11.678 1.00 23.21 N ATOM 468 CA HIS A 28 13.421 -8.918 -11.083 1.00 2.23 C ATOM 469 C HIS A 28 13.459 -8.719 -9.552 1.00 24.14 C ATOM 470 O HIS A 28 14.504 -8.877 -8.917 1.00 51.15 O ATOM 471 CB HIS A 28 14.730 -8.350 -11.719 1.00 24.15 C ATOM 472 CG HIS A 28 14.970 -6.869 -11.525 1.00 55.53 C ATOM 473 ND1 HIS A 28 15.349 -6.328 -10.328 1.00 52.24 N ATOM 474 CD2 HIS A 28 14.892 -5.824 -12.386 1.00 63.24 C ATOM 475 CE1 HIS A 28 15.487 -5.033 -10.453 1.00 43.11 C ATOM 476 NE2 HIS A 28 15.225 -4.699 -11.683 1.00 41.22 N ATOM 0 H HIS A 28 12.375 -7.383 -12.086 1.00 23.21 H new ATOM 0 HA HIS A 28 13.367 -9.985 -11.298 1.00 2.23 H new ATOM 0 HB2 HIS A 28 15.578 -8.893 -11.303 1.00 24.15 H new ATOM 0 HB3 HIS A 28 14.711 -8.558 -12.789 1.00 24.15 H new ATOM 0 HD2 HIS A 28 14.619 -5.871 -13.430 1.00 63.24 H new ATOM 0 HE1 HIS A 28 15.772 -4.352 -9.664 1.00 43.11 H new ATOM 0 HE2 HIS A 28 15.262 -3.752 -12.061 1.00 41.22 H new ATOM 485 N CYS A 29 12.345 -8.385 -8.981 1.00 23.31 N ATOM 486 CA CYS A 29 12.238 -8.151 -7.564 1.00 60.00 C ATOM 487 C CYS A 29 11.423 -9.253 -6.906 1.00 54.32 C ATOM 488 O CYS A 29 10.587 -9.882 -7.561 1.00 71.42 O ATOM 489 CB CYS A 29 11.631 -6.771 -7.365 1.00 40.11 C ATOM 490 SG CYS A 29 12.740 -5.445 -7.953 1.00 71.10 S ATOM 0 H CYS A 29 11.468 -8.264 -9.488 1.00 23.31 H new ATOM 0 HA CYS A 29 13.217 -8.174 -7.086 1.00 60.00 H new ATOM 0 HB2 CYS A 29 10.682 -6.712 -7.897 1.00 40.11 H new ATOM 0 HB3 CYS A 29 11.414 -6.620 -6.308 1.00 40.11 H new ATOM 495 N GLU A 30 11.682 -9.519 -5.627 1.00 3.53 N ATOM 496 CA GLU A 30 11.020 -10.597 -4.929 1.00 15.22 C ATOM 497 C GLU A 30 9.680 -10.133 -4.367 1.00 50.44 C ATOM 498 O GLU A 30 9.581 -9.016 -3.827 1.00 2.32 O ATOM 499 CB GLU A 30 11.920 -11.148 -3.820 1.00 53.34 C ATOM 500 CG GLU A 30 11.366 -12.348 -3.118 1.00 32.33 C ATOM 501 CD GLU A 30 11.167 -13.514 -4.043 1.00 15.14 C ATOM 502 OE1 GLU A 30 10.107 -13.604 -4.679 1.00 60.23 O ATOM 503 OE2 GLU A 30 12.087 -14.356 -4.156 1.00 23.32 O ATOM 0 H GLU A 30 12.349 -8.996 -5.060 1.00 3.53 H new ATOM 0 HA GLU A 30 10.825 -11.401 -5.639 1.00 15.22 H new ATOM 0 HB2 GLU A 30 12.888 -11.407 -4.249 1.00 53.34 H new ATOM 0 HB3 GLU A 30 12.096 -10.361 -3.086 1.00 53.34 H new ATOM 0 HG2 GLU A 30 12.041 -12.638 -2.313 1.00 32.33 H new ATOM 0 HG3 GLU A 30 10.413 -12.088 -2.657 1.00 32.33 H new ATOM 510 N GLU A 31 8.672 -11.005 -4.480 1.00 33.25 N ATOM 511 CA GLU A 31 7.294 -10.728 -4.073 1.00 73.41 C ATOM 512 C GLU A 31 6.678 -9.588 -4.887 1.00 54.33 C ATOM 513 O GLU A 31 7.303 -9.046 -5.810 1.00 61.43 O ATOM 514 CB GLU A 31 7.166 -10.495 -2.553 1.00 13.12 C ATOM 515 CG GLU A 31 7.425 -11.740 -1.707 1.00 70.32 C ATOM 516 CD GLU A 31 7.308 -11.491 -0.215 1.00 13.42 C ATOM 517 OE1 GLU A 31 6.165 -11.528 0.336 1.00 2.11 O ATOM 518 OE2 GLU A 31 8.354 -11.286 0.440 1.00 33.23 O ATOM 0 H GLU A 31 8.796 -11.941 -4.865 1.00 33.25 H new ATOM 0 HA GLU A 31 6.715 -11.625 -4.295 1.00 73.41 H new ATOM 0 HB2 GLU A 31 7.867 -9.715 -2.256 1.00 13.12 H new ATOM 0 HB3 GLU A 31 6.164 -10.124 -2.336 1.00 13.12 H new ATOM 0 HG2 GLU A 31 6.718 -12.519 -1.994 1.00 70.32 H new ATOM 0 HG3 GLU A 31 8.423 -12.118 -1.927 1.00 70.32 H new ATOM 525 N LYS A 32 5.452 -9.271 -4.603 1.00 60.34 N ATOM 526 CA LYS A 32 4.782 -8.198 -5.301 1.00 60.41 C ATOM 527 C LYS A 32 4.868 -6.946 -4.474 1.00 73.13 C ATOM 528 O LYS A 32 4.542 -6.972 -3.296 1.00 41.04 O ATOM 529 CB LYS A 32 3.321 -8.540 -5.524 1.00 74.00 C ATOM 530 CG LYS A 32 3.086 -9.886 -6.152 1.00 23.41 C ATOM 531 CD LYS A 32 3.765 -10.040 -7.494 1.00 31.15 C ATOM 532 CE LYS A 32 3.491 -11.412 -8.098 1.00 23.14 C ATOM 533 NZ LYS A 32 3.951 -12.523 -7.220 1.00 62.32 N ATOM 0 H LYS A 32 4.887 -9.736 -3.892 1.00 60.34 H new ATOM 0 HA LYS A 32 5.264 -8.051 -6.267 1.00 60.41 H new ATOM 0 HB2 LYS A 32 2.802 -8.504 -4.566 1.00 74.00 H new ATOM 0 HB3 LYS A 32 2.874 -7.774 -6.158 1.00 74.00 H new ATOM 0 HG2 LYS A 32 3.446 -10.663 -5.478 1.00 23.41 H new ATOM 0 HG3 LYS A 32 2.014 -10.042 -6.274 1.00 23.41 H new ATOM 0 HD2 LYS A 32 3.413 -9.264 -8.174 1.00 31.15 H new ATOM 0 HD3 LYS A 32 4.840 -9.899 -7.379 1.00 31.15 H new ATOM 0 HE2 LYS A 32 2.422 -11.517 -8.282 1.00 23.14 H new ATOM 0 HE3 LYS A 32 3.990 -11.486 -9.064 1.00 23.14 H new ATOM 0 HZ1 LYS A 32 3.948 -13.414 -7.757 1.00 62.32 H new ATOM 0 HZ2 LYS A 32 4.915 -12.324 -6.885 1.00 62.32 H new ATOM 0 HZ3 LYS A 32 3.312 -12.608 -6.404 1.00 62.32 H new ATOM 547 N MET A 33 5.296 -5.865 -5.081 1.00 64.13 N ATOM 548 CA MET A 33 5.378 -4.585 -4.363 1.00 52.22 C ATOM 549 C MET A 33 4.003 -4.073 -4.061 1.00 43.42 C ATOM 550 O MET A 33 3.041 -4.381 -4.763 1.00 40.14 O ATOM 551 CB MET A 33 6.152 -3.468 -5.103 1.00 73.30 C ATOM 552 CG MET A 33 7.710 -3.467 -5.092 1.00 51.10 C ATOM 553 SD MET A 33 8.564 -4.844 -5.920 1.00 3.03 S ATOM 554 CE MET A 33 8.401 -6.174 -4.741 1.00 63.11 C ATOM 0 H MET A 33 5.592 -5.830 -6.056 1.00 64.13 H new ATOM 0 HA MET A 33 5.939 -4.813 -3.457 1.00 52.22 H new ATOM 0 HB2 MET A 33 5.834 -3.488 -6.145 1.00 73.30 H new ATOM 0 HB3 MET A 33 5.823 -2.515 -4.688 1.00 73.30 H new ATOM 0 HG2 MET A 33 8.048 -2.538 -5.552 1.00 51.10 H new ATOM 0 HG3 MET A 33 8.038 -3.446 -4.053 1.00 51.10 H new ATOM 0 HE1 MET A 33 9.337 -6.731 -4.689 1.00 63.11 H new ATOM 0 HE2 MET A 33 8.168 -5.763 -3.759 1.00 63.11 H new ATOM 0 HE3 MET A 33 7.599 -6.842 -5.055 1.00 63.11 H new ATOM 564 N VAL A 34 3.914 -3.297 -3.044 1.00 73.24 N ATOM 565 CA VAL A 34 2.666 -2.734 -2.639 1.00 33.54 C ATOM 566 C VAL A 34 2.566 -1.333 -3.185 1.00 51.15 C ATOM 567 O VAL A 34 3.290 -0.434 -2.757 1.00 32.02 O ATOM 568 CB VAL A 34 2.548 -2.725 -1.100 1.00 2.31 C ATOM 569 CG1 VAL A 34 1.250 -2.076 -0.647 1.00 71.21 C ATOM 570 CG2 VAL A 34 2.652 -4.145 -0.566 1.00 14.42 C ATOM 0 H VAL A 34 4.707 -3.029 -2.461 1.00 73.24 H new ATOM 0 HA VAL A 34 1.849 -3.339 -3.031 1.00 33.54 H new ATOM 0 HB VAL A 34 3.369 -2.131 -0.697 1.00 2.31 H new ATOM 0 HG11 VAL A 34 1.199 -2.086 0.442 1.00 71.21 H new ATOM 0 HG12 VAL A 34 1.215 -1.046 -1.002 1.00 71.21 H new ATOM 0 HG13 VAL A 34 0.405 -2.630 -1.055 1.00 71.21 H new ATOM 0 HG21 VAL A 34 2.568 -4.132 0.521 1.00 14.42 H new ATOM 0 HG22 VAL A 34 1.849 -4.751 -0.985 1.00 14.42 H new ATOM 0 HG23 VAL A 34 3.614 -4.571 -0.851 1.00 14.42 H new ATOM 580 N ILE A 35 1.694 -1.165 -4.136 1.00 11.42 N ATOM 581 CA ILE A 35 1.508 0.089 -4.814 1.00 72.52 C ATOM 582 C ILE A 35 0.286 0.774 -4.243 1.00 51.23 C ATOM 583 O ILE A 35 -0.806 0.201 -4.233 1.00 72.20 O ATOM 584 CB ILE A 35 1.317 -0.167 -6.324 1.00 4.24 C ATOM 585 CG1 ILE A 35 2.513 -0.963 -6.880 1.00 10.01 C ATOM 586 CG2 ILE A 35 1.109 1.124 -7.099 1.00 35.43 C ATOM 587 CD1 ILE A 35 3.868 -0.274 -6.756 1.00 51.13 C ATOM 0 H ILE A 35 1.080 -1.908 -4.470 1.00 11.42 H new ATOM 0 HA ILE A 35 2.381 0.726 -4.673 1.00 72.52 H new ATOM 0 HB ILE A 35 0.411 -0.759 -6.452 1.00 4.24 H new ATOM 0 HG12 ILE A 35 2.562 -1.921 -6.363 1.00 10.01 H new ATOM 0 HG13 ILE A 35 2.328 -1.178 -7.932 1.00 10.01 H new ATOM 0 HG21 ILE A 35 0.979 0.896 -8.157 1.00 35.43 H new ATOM 0 HG22 ILE A 35 0.221 1.633 -6.726 1.00 35.43 H new ATOM 0 HG23 ILE A 35 1.978 1.769 -6.971 1.00 35.43 H new ATOM 0 HD11 ILE A 35 4.642 -0.916 -7.176 1.00 51.13 H new ATOM 0 HD12 ILE A 35 3.847 0.671 -7.298 1.00 51.13 H new ATOM 0 HD13 ILE A 35 4.085 -0.084 -5.705 1.00 51.13 H new ATOM 599 N ILE A 36 0.471 1.973 -3.756 1.00 42.31 N ATOM 600 CA ILE A 36 -0.581 2.706 -3.102 1.00 75.31 C ATOM 601 C ILE A 36 -0.843 4.054 -3.727 1.00 14.30 C ATOM 602 O ILE A 36 0.019 4.925 -3.744 1.00 21.31 O ATOM 603 CB ILE A 36 -0.272 2.872 -1.607 1.00 54.21 C ATOM 604 CG1 ILE A 36 -0.355 1.519 -0.919 1.00 63.01 C ATOM 605 CG2 ILE A 36 -1.176 3.908 -0.940 1.00 24.45 C ATOM 606 CD1 ILE A 36 -0.128 1.582 0.544 1.00 33.11 C ATOM 0 H ILE A 36 1.360 2.471 -3.802 1.00 42.31 H new ATOM 0 HA ILE A 36 -1.489 2.117 -3.228 1.00 75.31 H new ATOM 0 HB ILE A 36 0.743 3.256 -1.506 1.00 54.21 H new ATOM 0 HG12 ILE A 36 -1.337 1.085 -1.107 1.00 63.01 H new ATOM 0 HG13 ILE A 36 0.381 0.849 -1.364 1.00 63.01 H new ATOM 0 HG21 ILE A 36 -0.919 3.989 0.116 1.00 24.45 H new ATOM 0 HG22 ILE A 36 -1.038 4.876 -1.423 1.00 24.45 H new ATOM 0 HG23 ILE A 36 -2.217 3.599 -1.037 1.00 24.45 H new ATOM 0 HD11 ILE A 36 -0.202 0.580 0.967 1.00 33.11 H new ATOM 0 HD12 ILE A 36 0.865 1.986 0.741 1.00 33.11 H new ATOM 0 HD13 ILE A 36 -0.879 2.226 1.001 1.00 33.11 H new ATOM 618 N THR A 37 -2.039 4.216 -4.178 1.00 64.23 N ATOM 619 CA THR A 37 -2.498 5.450 -4.777 1.00 4.54 C ATOM 620 C THR A 37 -3.331 6.218 -3.745 1.00 42.21 C ATOM 621 O THR A 37 -4.340 5.694 -3.238 1.00 1.52 O ATOM 622 CB THR A 37 -3.357 5.158 -6.033 1.00 51.11 C ATOM 623 OG1 THR A 37 -2.568 4.468 -7.007 1.00 34.43 O ATOM 624 CG2 THR A 37 -3.904 6.442 -6.643 1.00 62.33 C ATOM 0 H THR A 37 -2.751 3.486 -4.146 1.00 64.23 H new ATOM 0 HA THR A 37 -1.638 6.046 -5.082 1.00 4.54 H new ATOM 0 HB THR A 37 -4.200 4.538 -5.728 1.00 51.11 H new ATOM 0 HG1 THR A 37 -2.091 5.119 -7.563 1.00 34.43 H new ATOM 0 HG21 THR A 37 -4.502 6.201 -7.522 1.00 62.33 H new ATOM 0 HG22 THR A 37 -4.526 6.956 -5.911 1.00 62.33 H new ATOM 0 HG23 THR A 37 -3.076 7.088 -6.933 1.00 62.33 H new ATOM 632 N THR A 38 -2.918 7.430 -3.422 1.00 74.35 N ATOM 633 CA THR A 38 -3.598 8.208 -2.417 1.00 21.42 C ATOM 634 C THR A 38 -4.774 8.990 -3.003 1.00 61.34 C ATOM 635 O THR A 38 -4.889 9.141 -4.223 1.00 51.55 O ATOM 636 CB THR A 38 -2.625 9.184 -1.697 1.00 20.41 C ATOM 637 OG1 THR A 38 -2.026 10.102 -2.635 1.00 5.32 O ATOM 638 CG2 THR A 38 -1.528 8.413 -0.983 1.00 25.44 C ATOM 0 H THR A 38 -2.113 7.893 -3.845 1.00 74.35 H new ATOM 0 HA THR A 38 -3.987 7.499 -1.686 1.00 21.42 H new ATOM 0 HB THR A 38 -3.205 9.750 -0.968 1.00 20.41 H new ATOM 0 HG1 THR A 38 -2.103 11.017 -2.292 1.00 5.32 H new ATOM 0 HG21 THR A 38 -0.857 9.113 -0.485 1.00 25.44 H new ATOM 0 HG22 THR A 38 -1.973 7.748 -0.243 1.00 25.44 H new ATOM 0 HG23 THR A 38 -0.966 7.825 -1.708 1.00 25.44 H new ATOM 646 N LYS A 39 -5.675 9.430 -2.143 1.00 53.25 N ATOM 647 CA LYS A 39 -6.768 10.301 -2.563 1.00 31.45 C ATOM 648 C LYS A 39 -6.241 11.713 -2.780 1.00 72.42 C ATOM 649 O LYS A 39 -6.555 12.366 -3.756 1.00 22.52 O ATOM 650 CB LYS A 39 -7.944 10.251 -1.564 1.00 33.41 C ATOM 651 CG LYS A 39 -7.599 10.613 -0.119 1.00 14.34 C ATOM 652 CD LYS A 39 -8.804 10.421 0.798 1.00 23.24 C ATOM 653 CE LYS A 39 -9.976 11.310 0.403 1.00 12.33 C ATOM 654 NZ LYS A 39 -11.161 11.065 1.249 1.00 63.13 N ATOM 0 H LYS A 39 -5.675 9.201 -1.149 1.00 53.25 H new ATOM 0 HA LYS A 39 -7.167 9.944 -3.512 1.00 31.45 H new ATOM 0 HB2 LYS A 39 -8.723 10.929 -1.913 1.00 33.41 H new ATOM 0 HB3 LYS A 39 -8.366 9.246 -1.577 1.00 33.41 H new ATOM 0 HG2 LYS A 39 -6.772 9.993 0.227 1.00 14.34 H new ATOM 0 HG3 LYS A 39 -7.263 11.649 -0.071 1.00 14.34 H new ATOM 0 HD2 LYS A 39 -9.117 9.377 0.770 1.00 23.24 H new ATOM 0 HD3 LYS A 39 -8.515 10.640 1.826 1.00 23.24 H new ATOM 0 HE2 LYS A 39 -9.682 12.356 0.484 1.00 12.33 H new ATOM 0 HE3 LYS A 39 -10.232 11.131 -0.641 1.00 12.33 H new ATOM 0 HZ1 LYS A 39 -11.937 11.689 0.949 1.00 63.13 H new ATOM 0 HZ2 LYS A 39 -11.457 10.073 1.152 1.00 63.13 H new ATOM 0 HZ3 LYS A 39 -10.924 11.260 2.243 1.00 63.13 H new ATOM 668 N SER A 40 -5.429 12.139 -1.857 1.00 24.05 N ATOM 669 CA SER A 40 -4.717 13.377 -1.908 1.00 12.43 C ATOM 670 C SER A 40 -3.715 13.337 -0.765 1.00 74.42 C ATOM 671 O SER A 40 -2.613 12.792 -0.934 1.00 33.41 O ATOM 672 CB SER A 40 -5.657 14.610 -1.840 1.00 44.04 C ATOM 673 OG SER A 40 -4.933 15.828 -1.907 1.00 31.32 O ATOM 0 H SER A 40 -5.238 11.605 -1.009 1.00 24.05 H new ATOM 0 HA SER A 40 -4.205 13.490 -2.864 1.00 12.43 H new ATOM 0 HB2 SER A 40 -6.373 14.567 -2.661 1.00 44.04 H new ATOM 0 HB3 SER A 40 -6.231 14.579 -0.914 1.00 44.04 H new ATOM 0 HG SER A 40 -5.557 16.582 -1.863 1.00 31.32 H new ATOM 679 N VAL A 41 -4.160 13.813 0.410 1.00 75.23 N ATOM 680 CA VAL A 41 -3.454 13.763 1.710 1.00 0.01 C ATOM 681 C VAL A 41 -1.931 14.088 1.716 1.00 63.44 C ATOM 682 O VAL A 41 -1.526 15.198 2.084 1.00 32.23 O ATOM 683 CB VAL A 41 -3.791 12.470 2.537 1.00 53.00 C ATOM 684 CG1 VAL A 41 -5.253 12.471 2.932 1.00 13.43 C ATOM 685 CG2 VAL A 41 -3.496 11.196 1.755 1.00 42.24 C ATOM 0 H VAL A 41 -5.070 14.268 0.487 1.00 75.23 H new ATOM 0 HA VAL A 41 -3.879 14.624 2.226 1.00 0.01 H new ATOM 0 HB VAL A 41 -3.157 12.484 3.423 1.00 53.00 H new ATOM 0 HG11 VAL A 41 -5.476 11.571 3.505 1.00 13.43 H new ATOM 0 HG12 VAL A 41 -5.465 13.350 3.541 1.00 13.43 H new ATOM 0 HG13 VAL A 41 -5.872 12.493 2.035 1.00 13.43 H new ATOM 0 HG21 VAL A 41 -3.744 10.328 2.366 1.00 42.24 H new ATOM 0 HG22 VAL A 41 -4.094 11.181 0.844 1.00 42.24 H new ATOM 0 HG23 VAL A 41 -2.438 11.166 1.495 1.00 42.24 H new ATOM 695 N SER A 42 -1.122 13.144 1.302 1.00 42.11 N ATOM 696 CA SER A 42 0.310 13.257 1.349 1.00 51.04 C ATOM 697 C SER A 42 0.850 14.012 0.135 1.00 22.04 C ATOM 698 O SER A 42 0.100 14.309 -0.790 1.00 71.33 O ATOM 699 CB SER A 42 0.924 11.856 1.506 1.00 60.41 C ATOM 700 OG SER A 42 0.338 10.916 0.588 1.00 31.24 O ATOM 0 H SER A 42 -1.450 12.259 0.916 1.00 42.11 H new ATOM 0 HA SER A 42 0.601 13.850 2.216 1.00 51.04 H new ATOM 0 HB2 SER A 42 2.000 11.908 1.337 1.00 60.41 H new ATOM 0 HB3 SER A 42 0.778 11.507 2.528 1.00 60.41 H new ATOM 0 HG SER A 42 0.994 10.222 0.368 1.00 31.24 H new ATOM 706 N ARG A 43 2.158 14.283 0.134 1.00 45.42 N ATOM 707 CA ARG A 43 2.827 15.099 -0.909 1.00 41.12 C ATOM 708 C ARG A 43 2.654 14.540 -2.340 1.00 20.44 C ATOM 709 O ARG A 43 2.951 15.214 -3.316 1.00 1.32 O ATOM 710 CB ARG A 43 4.325 15.311 -0.538 1.00 23.02 C ATOM 711 CG ARG A 43 5.211 14.048 -0.528 1.00 51.41 C ATOM 712 CD ARG A 43 5.669 13.651 -1.926 1.00 51.05 C ATOM 713 NE ARG A 43 6.495 14.700 -2.526 1.00 45.23 N ATOM 714 CZ ARG A 43 6.782 14.831 -3.829 1.00 33.43 C ATOM 715 NH1 ARG A 43 6.276 13.987 -4.732 1.00 24.21 N ATOM 716 NH2 ARG A 43 7.565 15.819 -4.227 1.00 24.11 N ATOM 0 H ARG A 43 2.795 13.945 0.856 1.00 45.42 H new ATOM 0 HA ARG A 43 2.329 16.068 -0.928 1.00 41.12 H new ATOM 0 HB2 ARG A 43 4.754 16.025 -1.241 1.00 23.02 H new ATOM 0 HB3 ARG A 43 4.371 15.770 0.450 1.00 23.02 H new ATOM 0 HG2 ARG A 43 6.083 14.224 0.101 1.00 51.41 H new ATOM 0 HG3 ARG A 43 4.657 13.222 -0.081 1.00 51.41 H new ATOM 0 HD2 ARG A 43 6.236 12.721 -1.876 1.00 51.05 H new ATOM 0 HD3 ARG A 43 4.800 13.462 -2.557 1.00 51.05 H new ATOM 0 HE ARG A 43 6.889 15.396 -1.894 1.00 45.23 H new ATOM 0 HH11 ARG A 43 5.662 13.229 -4.434 1.00 24.21 H new ATOM 0 HH12 ARG A 43 6.504 14.100 -5.720 1.00 24.21 H new ATOM 0 HH21 ARG A 43 7.946 16.474 -3.545 1.00 24.11 H new ATOM 0 HH22 ARG A 43 7.788 15.926 -5.217 1.00 24.11 H new ATOM 730 N TYR A 44 2.198 13.312 -2.437 1.00 44.44 N ATOM 731 CA TYR A 44 1.963 12.688 -3.714 1.00 53.03 C ATOM 732 C TYR A 44 0.692 13.202 -4.359 1.00 61.25 C ATOM 733 O TYR A 44 0.713 13.634 -5.503 1.00 64.24 O ATOM 734 CB TYR A 44 1.960 11.163 -3.583 1.00 74.31 C ATOM 735 CG TYR A 44 3.325 10.610 -3.286 1.00 64.24 C ATOM 736 CD1 TYR A 44 4.200 10.297 -4.311 1.00 2.30 C ATOM 737 CD2 TYR A 44 3.747 10.428 -1.992 1.00 14.34 C ATOM 738 CE1 TYR A 44 5.465 9.819 -4.054 1.00 1.33 C ATOM 739 CE2 TYR A 44 5.012 9.942 -1.717 1.00 53.51 C ATOM 740 CZ TYR A 44 5.867 9.642 -2.755 1.00 23.31 C ATOM 741 OH TYR A 44 7.134 9.172 -2.485 1.00 22.31 O ATOM 0 H TYR A 44 1.981 12.721 -1.634 1.00 44.44 H new ATOM 0 HA TYR A 44 2.785 12.960 -4.377 1.00 53.03 H new ATOM 0 HB2 TYR A 44 1.272 10.871 -2.789 1.00 74.31 H new ATOM 0 HB3 TYR A 44 1.586 10.723 -4.507 1.00 74.31 H new ATOM 0 HD1 TYR A 44 3.884 10.431 -5.335 1.00 2.30 H new ATOM 0 HD2 TYR A 44 3.081 10.668 -1.177 1.00 14.34 H new ATOM 0 HE1 TYR A 44 6.135 9.585 -4.868 1.00 1.33 H new ATOM 0 HE2 TYR A 44 5.328 9.798 -0.694 1.00 53.51 H new ATOM 0 HH TYR A 44 7.258 9.105 -1.515 1.00 22.31 H new ATOM 751 N ARG A 45 -0.389 13.192 -3.591 1.00 34.23 N ATOM 752 CA ARG A 45 -1.721 13.613 -4.044 1.00 53.13 C ATOM 753 C ARG A 45 -2.188 12.919 -5.320 1.00 43.32 C ATOM 754 O ARG A 45 -2.255 13.530 -6.386 1.00 3.41 O ATOM 755 CB ARG A 45 -1.860 15.135 -4.148 1.00 11.21 C ATOM 756 CG ARG A 45 -1.702 15.841 -2.828 1.00 33.50 C ATOM 757 CD ARG A 45 -1.827 17.335 -2.971 1.00 24.34 C ATOM 758 NE ARG A 45 -1.723 17.990 -1.673 1.00 71.02 N ATOM 759 CZ ARG A 45 -1.654 19.300 -1.465 1.00 40.45 C ATOM 760 NH1 ARG A 45 -1.643 20.152 -2.489 1.00 31.01 N ATOM 761 NH2 ARG A 45 -1.582 19.757 -0.224 1.00 15.44 N ATOM 0 H ARG A 45 -0.372 12.887 -2.618 1.00 34.23 H new ATOM 0 HA ARG A 45 -2.396 13.280 -3.256 1.00 53.13 H new ATOM 0 HB2 ARG A 45 -1.113 15.514 -4.846 1.00 11.21 H new ATOM 0 HB3 ARG A 45 -2.838 15.376 -4.566 1.00 11.21 H new ATOM 0 HG2 ARG A 45 -2.457 15.479 -2.130 1.00 33.50 H new ATOM 0 HG3 ARG A 45 -0.729 15.597 -2.400 1.00 33.50 H new ATOM 0 HD2 ARG A 45 -1.047 17.708 -3.635 1.00 24.34 H new ATOM 0 HD3 ARG A 45 -2.783 17.582 -3.432 1.00 24.34 H new ATOM 0 HE ARG A 45 -1.701 17.388 -0.850 1.00 71.02 H new ATOM 0 HH11 ARG A 45 -1.688 19.800 -3.445 1.00 31.01 H new ATOM 0 HH12 ARG A 45 -1.590 21.156 -2.317 1.00 31.01 H new ATOM 0 HH21 ARG A 45 -1.580 19.105 0.560 1.00 15.44 H new ATOM 0 HH22 ARG A 45 -1.529 20.761 -0.053 1.00 15.44 H new ATOM 775 N GLY A 46 -2.478 11.639 -5.209 1.00 70.12 N ATOM 776 CA GLY A 46 -2.945 10.877 -6.354 1.00 23.03 C ATOM 777 C GLY A 46 -1.819 10.122 -7.024 1.00 53.15 C ATOM 778 O GLY A 46 -2.024 9.418 -8.009 1.00 15.01 O ATOM 0 H GLY A 46 -2.400 11.105 -4.344 1.00 70.12 H new ATOM 0 HA2 GLY A 46 -3.714 10.174 -6.033 1.00 23.03 H new ATOM 0 HA3 GLY A 46 -3.410 11.551 -7.074 1.00 23.03 H new ATOM 782 N GLN A 47 -0.642 10.283 -6.486 1.00 45.14 N ATOM 783 CA GLN A 47 0.531 9.576 -6.934 1.00 4.14 C ATOM 784 C GLN A 47 0.798 8.402 -6.025 1.00 30.21 C ATOM 785 O GLN A 47 0.348 8.388 -4.860 1.00 4.24 O ATOM 786 CB GLN A 47 1.795 10.463 -7.115 1.00 74.22 C ATOM 787 CG GLN A 47 1.888 11.334 -8.398 1.00 61.14 C ATOM 788 CD GLN A 47 0.910 12.506 -8.520 1.00 33.31 C ATOM 789 OE1 GLN A 47 -0.199 12.488 -8.047 1.00 55.14 O ATOM 790 NE2 GLN A 47 1.352 13.541 -9.167 1.00 24.14 N ATOM 0 H GLN A 47 -0.465 10.920 -5.710 1.00 45.14 H new ATOM 0 HA GLN A 47 0.309 9.219 -7.940 1.00 4.14 H new ATOM 0 HB2 GLN A 47 1.865 11.127 -6.253 1.00 74.22 H new ATOM 0 HB3 GLN A 47 2.669 9.812 -7.088 1.00 74.22 H new ATOM 0 HG2 GLN A 47 2.901 11.731 -8.464 1.00 61.14 H new ATOM 0 HG3 GLN A 47 1.744 10.683 -9.260 1.00 61.14 H new ATOM 0 HE21 GLN A 47 2.294 13.534 -9.559 1.00 24.14 H new ATOM 0 HE22 GLN A 47 0.757 14.362 -9.284 1.00 24.14 H new ATOM 799 N GLU A 48 1.521 7.435 -6.521 1.00 74.52 N ATOM 800 CA GLU A 48 1.687 6.199 -5.816 1.00 75.03 C ATOM 801 C GLU A 48 2.879 6.184 -4.890 1.00 73.21 C ATOM 802 O GLU A 48 3.930 6.768 -5.160 1.00 41.00 O ATOM 803 CB GLU A 48 1.809 4.994 -6.770 1.00 62.15 C ATOM 804 CG GLU A 48 0.561 4.622 -7.565 1.00 40.42 C ATOM 805 CD GLU A 48 0.098 5.684 -8.513 1.00 41.41 C ATOM 806 OE1 GLU A 48 0.768 5.905 -9.545 1.00 75.13 O ATOM 807 OE2 GLU A 48 -0.946 6.286 -8.266 1.00 73.12 O ATOM 0 H GLU A 48 2.006 7.483 -7.417 1.00 74.52 H new ATOM 0 HA GLU A 48 0.780 6.113 -5.217 1.00 75.03 H new ATOM 0 HB2 GLU A 48 2.614 5.199 -7.476 1.00 62.15 H new ATOM 0 HB3 GLU A 48 2.111 4.126 -6.185 1.00 62.15 H new ATOM 0 HG2 GLU A 48 0.761 3.710 -8.128 1.00 40.42 H new ATOM 0 HG3 GLU A 48 -0.246 4.396 -6.868 1.00 40.42 H new ATOM 814 N HIS A 49 2.665 5.526 -3.790 1.00 50.41 N ATOM 815 CA HIS A 49 3.675 5.202 -2.819 1.00 42.40 C ATOM 816 C HIS A 49 3.916 3.727 -2.996 1.00 34.50 C ATOM 817 O HIS A 49 3.028 3.024 -3.483 1.00 20.22 O ATOM 818 CB HIS A 49 3.167 5.360 -1.371 1.00 13.31 C ATOM 819 CG HIS A 49 2.777 6.725 -0.878 1.00 50.51 C ATOM 820 ND1 HIS A 49 3.367 7.307 0.235 1.00 24.23 N ATOM 821 CD2 HIS A 49 1.783 7.563 -1.243 1.00 62.45 C ATOM 822 CE1 HIS A 49 2.755 8.429 0.529 1.00 74.55 C ATOM 823 NE2 HIS A 49 1.792 8.616 -0.345 1.00 31.30 N ATOM 0 H HIS A 49 1.740 5.183 -3.530 1.00 50.41 H new ATOM 0 HA HIS A 49 4.540 5.849 -2.964 1.00 42.40 H new ATOM 0 HB2 HIS A 49 2.301 4.709 -1.254 1.00 13.31 H new ATOM 0 HB3 HIS A 49 3.944 4.980 -0.707 1.00 13.31 H new ATOM 0 HD1 HIS A 49 4.159 6.920 0.748 1.00 24.23 H new ATOM 0 HD2 HIS A 49 1.109 7.436 -2.077 1.00 62.45 H new ATOM 0 HE1 HIS A 49 3.001 9.087 1.349 1.00 74.55 H new ATOM 832 N CYS A 50 5.047 3.240 -2.624 1.00 63.44 N ATOM 833 CA CYS A 50 5.243 1.826 -2.683 1.00 32.22 C ATOM 834 C CYS A 50 5.911 1.305 -1.437 1.00 25.11 C ATOM 835 O CYS A 50 6.955 1.815 -1.007 1.00 72.44 O ATOM 836 CB CYS A 50 5.936 1.386 -3.981 1.00 60.12 C ATOM 837 SG CYS A 50 7.500 2.232 -4.337 1.00 74.55 S ATOM 0 H CYS A 50 5.840 3.783 -2.281 1.00 63.44 H new ATOM 0 HA CYS A 50 4.258 1.361 -2.713 1.00 32.22 H new ATOM 0 HB2 CYS A 50 6.123 0.313 -3.930 1.00 60.12 H new ATOM 0 HB3 CYS A 50 5.253 1.551 -4.814 1.00 60.12 H new ATOM 842 N LEU A 51 5.285 0.322 -0.842 1.00 15.13 N ATOM 843 CA LEU A 51 5.774 -0.299 0.362 1.00 72.04 C ATOM 844 C LEU A 51 6.535 -1.530 0.059 1.00 51.54 C ATOM 845 O LEU A 51 6.214 -2.268 -0.881 1.00 53.42 O ATOM 846 CB LEU A 51 4.657 -0.592 1.361 1.00 71.14 C ATOM 847 CG LEU A 51 4.059 0.618 2.046 1.00 64.10 C ATOM 848 CD1 LEU A 51 2.810 0.224 2.820 1.00 33.54 C ATOM 849 CD2 LEU A 51 5.072 1.241 2.998 1.00 0.25 C ATOM 0 H LEU A 51 4.410 -0.075 -1.185 1.00 15.13 H new ATOM 0 HA LEU A 51 6.447 0.419 0.830 1.00 72.04 H new ATOM 0 HB2 LEU A 51 3.860 -1.124 0.842 1.00 71.14 H new ATOM 0 HB3 LEU A 51 5.045 -1.265 2.125 1.00 71.14 H new ATOM 0 HG LEU A 51 3.791 1.347 1.281 1.00 64.10 H new ATOM 0 HD11 LEU A 51 2.391 1.104 3.307 1.00 33.54 H new ATOM 0 HD12 LEU A 51 2.074 -0.196 2.134 1.00 33.54 H new ATOM 0 HD13 LEU A 51 3.069 -0.519 3.574 1.00 33.54 H new ATOM 0 HD21 LEU A 51 4.628 2.110 3.484 1.00 0.25 H new ATOM 0 HD22 LEU A 51 5.358 0.510 3.754 1.00 0.25 H new ATOM 0 HD23 LEU A 51 5.955 1.549 2.439 1.00 0.25 H new ATOM 861 N HIS A 52 7.559 -1.730 0.827 1.00 2.34 N ATOM 862 CA HIS A 52 8.414 -2.890 0.682 1.00 42.11 C ATOM 863 C HIS A 52 7.660 -4.089 1.287 1.00 52.21 C ATOM 864 O HIS A 52 7.472 -4.161 2.502 1.00 63.01 O ATOM 865 CB HIS A 52 9.769 -2.647 1.395 1.00 3.41 C ATOM 866 CG HIS A 52 10.847 -3.645 1.056 1.00 73.22 C ATOM 867 ND1 HIS A 52 11.354 -4.573 1.943 1.00 13.45 N ATOM 868 CD2 HIS A 52 11.529 -3.836 -0.099 1.00 11.34 C ATOM 869 CE1 HIS A 52 12.280 -5.295 1.333 1.00 73.34 C ATOM 870 NE2 HIS A 52 12.406 -4.863 0.106 1.00 32.31 N ATOM 0 H HIS A 52 7.836 -1.098 1.578 1.00 2.34 H new ATOM 0 HA HIS A 52 8.640 -3.087 -0.366 1.00 42.11 H new ATOM 0 HB2 HIS A 52 10.124 -1.648 1.140 1.00 3.41 H new ATOM 0 HB3 HIS A 52 9.605 -2.662 2.472 1.00 3.41 H new ATOM 0 HD2 HIS A 52 11.402 -3.278 -1.015 1.00 11.34 H new ATOM 0 HE1 HIS A 52 12.839 -6.106 1.776 1.00 73.34 H new ATOM 0 HE2 HIS A 52 13.055 -5.234 -0.588 1.00 32.31 H new ATOM 879 N PRO A 53 7.216 -5.042 0.442 1.00 32.41 N ATOM 880 CA PRO A 53 6.317 -6.154 0.860 1.00 44.31 C ATOM 881 C PRO A 53 7.009 -7.225 1.671 1.00 3.24 C ATOM 882 O PRO A 53 6.407 -8.211 2.058 1.00 33.52 O ATOM 883 CB PRO A 53 5.867 -6.740 -0.467 1.00 44.41 C ATOM 884 CG PRO A 53 7.014 -6.485 -1.379 1.00 51.30 C ATOM 885 CD PRO A 53 7.553 -5.139 -0.996 1.00 1.52 C ATOM 0 HA PRO A 53 5.517 -5.790 1.505 1.00 44.31 H new ATOM 0 HB2 PRO A 53 5.654 -7.806 -0.381 1.00 44.41 H new ATOM 0 HB3 PRO A 53 4.956 -6.261 -0.827 1.00 44.41 H new ATOM 0 HG2 PRO A 53 7.777 -7.256 -1.272 1.00 51.30 H new ATOM 0 HG3 PRO A 53 6.694 -6.496 -2.421 1.00 51.30 H new ATOM 0 HD2 PRO A 53 8.628 -5.072 -1.164 1.00 1.52 H new ATOM 0 HD3 PRO A 53 7.090 -4.339 -1.574 1.00 1.52 H new ATOM 893 N LYS A 54 8.256 -7.015 1.915 1.00 44.35 N ATOM 894 CA LYS A 54 9.066 -7.929 2.641 1.00 50.53 C ATOM 895 C LYS A 54 8.911 -7.665 4.145 1.00 23.21 C ATOM 896 O LYS A 54 9.272 -8.487 4.976 1.00 24.24 O ATOM 897 CB LYS A 54 10.478 -7.701 2.190 1.00 4.14 C ATOM 898 CG LYS A 54 11.489 -8.685 2.648 1.00 62.43 C ATOM 899 CD LYS A 54 11.229 -10.034 2.060 1.00 54.24 C ATOM 900 CE LYS A 54 11.362 -10.078 0.523 1.00 43.13 C ATOM 901 NZ LYS A 54 10.983 -11.404 -0.001 1.00 74.25 N ATOM 0 H LYS A 54 8.754 -6.180 1.606 1.00 44.35 H new ATOM 0 HA LYS A 54 8.777 -8.964 2.461 1.00 50.53 H new ATOM 0 HB2 LYS A 54 10.489 -7.684 1.100 1.00 4.14 H new ATOM 0 HB3 LYS A 54 10.788 -6.712 2.528 1.00 4.14 H new ATOM 0 HG2 LYS A 54 12.485 -8.347 2.364 1.00 62.43 H new ATOM 0 HG3 LYS A 54 11.472 -8.749 3.736 1.00 62.43 H new ATOM 0 HD2 LYS A 54 11.925 -10.751 2.496 1.00 54.24 H new ATOM 0 HD3 LYS A 54 10.225 -10.354 2.338 1.00 54.24 H new ATOM 0 HE2 LYS A 54 10.728 -9.312 0.077 1.00 43.13 H new ATOM 0 HE3 LYS A 54 12.388 -9.849 0.236 1.00 43.13 H new ATOM 0 HZ1 LYS A 54 11.580 -11.637 -0.820 1.00 74.25 H new ATOM 0 HZ2 LYS A 54 11.117 -12.121 0.740 1.00 74.25 H new ATOM 0 HZ3 LYS A 54 9.985 -11.390 -0.293 1.00 74.25 H new ATOM 915 N LEU A 55 8.342 -6.515 4.472 1.00 51.23 N ATOM 916 CA LEU A 55 8.153 -6.115 5.858 1.00 41.32 C ATOM 917 C LEU A 55 6.878 -6.717 6.426 1.00 12.13 C ATOM 918 O LEU A 55 5.862 -6.834 5.731 1.00 21.14 O ATOM 919 CB LEU A 55 8.080 -4.586 5.972 1.00 20.15 C ATOM 920 CG LEU A 55 9.319 -3.800 5.541 1.00 41.12 C ATOM 921 CD1 LEU A 55 9.042 -2.309 5.632 1.00 44.54 C ATOM 922 CD2 LEU A 55 10.513 -4.161 6.412 1.00 4.42 C ATOM 0 H LEU A 55 8.001 -5.837 3.790 1.00 51.23 H new ATOM 0 HA LEU A 55 9.007 -6.482 6.428 1.00 41.32 H new ATOM 0 HB2 LEU A 55 7.235 -4.241 5.376 1.00 20.15 H new ATOM 0 HB3 LEU A 55 7.862 -4.333 7.010 1.00 20.15 H new ATOM 0 HG LEU A 55 9.554 -4.060 4.509 1.00 41.12 H new ATOM 0 HD11 LEU A 55 9.928 -1.755 5.324 1.00 44.54 H new ATOM 0 HD12 LEU A 55 8.208 -2.053 4.978 1.00 44.54 H new ATOM 0 HD13 LEU A 55 8.790 -2.048 6.660 1.00 44.54 H new ATOM 0 HD21 LEU A 55 11.384 -3.591 6.089 1.00 4.42 H new ATOM 0 HD22 LEU A 55 10.289 -3.924 7.452 1.00 4.42 H new ATOM 0 HD23 LEU A 55 10.722 -5.227 6.319 1.00 4.42 H new ATOM 934 N GLN A 56 6.932 -7.071 7.695 1.00 55.14 N ATOM 935 CA GLN A 56 5.801 -7.659 8.400 1.00 75.32 C ATOM 936 C GLN A 56 4.742 -6.587 8.654 1.00 2.12 C ATOM 937 O GLN A 56 3.545 -6.886 8.744 1.00 63.31 O ATOM 938 CB GLN A 56 6.253 -8.264 9.728 1.00 11.35 C ATOM 939 CG GLN A 56 7.361 -9.298 9.603 1.00 13.13 C ATOM 940 CD GLN A 56 7.771 -9.875 10.943 1.00 42.24 C ATOM 941 OE1 GLN A 56 6.952 -9.984 11.864 1.00 65.10 O ATOM 942 NE2 GLN A 56 9.027 -10.214 11.082 1.00 54.11 N ATOM 0 H GLN A 56 7.765 -6.960 8.273 1.00 55.14 H new ATOM 0 HA GLN A 56 5.377 -8.452 7.784 1.00 75.32 H new ATOM 0 HB2 GLN A 56 6.594 -7.461 10.382 1.00 11.35 H new ATOM 0 HB3 GLN A 56 5.394 -8.727 10.213 1.00 11.35 H new ATOM 0 HG2 GLN A 56 7.028 -10.105 8.950 1.00 13.13 H new ATOM 0 HG3 GLN A 56 8.228 -8.840 9.127 1.00 13.13 H new ATOM 0 HE21 GLN A 56 9.673 -10.110 10.300 1.00 54.11 H new ATOM 0 HE22 GLN A 56 9.360 -10.583 11.973 1.00 54.11 H new ATOM 951 N SER A 57 5.201 -5.342 8.777 1.00 45.15 N ATOM 952 CA SER A 57 4.322 -4.191 8.944 1.00 10.11 C ATOM 953 C SER A 57 3.427 -4.063 7.707 1.00 43.34 C ATOM 954 O SER A 57 2.206 -3.876 7.817 1.00 30.42 O ATOM 955 CB SER A 57 5.173 -2.908 9.140 1.00 51.01 C ATOM 956 OG SER A 57 4.369 -1.747 9.317 1.00 52.33 O ATOM 0 H SER A 57 6.193 -5.106 8.763 1.00 45.15 H new ATOM 0 HA SER A 57 3.694 -4.325 9.825 1.00 10.11 H new ATOM 0 HB2 SER A 57 5.821 -3.034 10.007 1.00 51.01 H new ATOM 0 HB3 SER A 57 5.822 -2.769 8.275 1.00 51.01 H new ATOM 0 HG SER A 57 4.946 -0.965 9.438 1.00 52.33 H new ATOM 962 N THR A 58 4.041 -4.218 6.539 1.00 20.23 N ATOM 963 CA THR A 58 3.358 -4.137 5.272 1.00 43.30 C ATOM 964 C THR A 58 2.290 -5.245 5.164 1.00 53.21 C ATOM 965 O THR A 58 1.242 -5.055 4.549 1.00 62.31 O ATOM 966 CB THR A 58 4.381 -4.287 4.128 1.00 53.22 C ATOM 967 OG1 THR A 58 5.466 -3.371 4.349 1.00 14.24 O ATOM 968 CG2 THR A 58 3.740 -3.971 2.793 1.00 71.40 C ATOM 0 H THR A 58 5.040 -4.406 6.455 1.00 20.23 H new ATOM 0 HA THR A 58 2.864 -3.168 5.198 1.00 43.30 H new ATOM 0 HB THR A 58 4.743 -5.315 4.113 1.00 53.22 H new ATOM 0 HG1 THR A 58 6.204 -3.586 3.741 1.00 14.24 H new ATOM 0 HG21 THR A 58 4.479 -4.083 1.999 1.00 71.40 H new ATOM 0 HG22 THR A 58 2.911 -4.656 2.616 1.00 71.40 H new ATOM 0 HG23 THR A 58 3.368 -2.946 2.801 1.00 71.40 H new ATOM 976 N LYS A 59 2.558 -6.389 5.794 1.00 43.44 N ATOM 977 CA LYS A 59 1.618 -7.498 5.791 1.00 21.22 C ATOM 978 C LYS A 59 0.344 -7.106 6.480 1.00 65.05 C ATOM 979 O LYS A 59 -0.729 -7.278 5.912 1.00 73.52 O ATOM 980 CB LYS A 59 2.214 -8.743 6.416 1.00 53.13 C ATOM 981 CG LYS A 59 3.470 -9.242 5.724 1.00 53.13 C ATOM 982 CD LYS A 59 3.253 -9.528 4.243 1.00 4.21 C ATOM 983 CE LYS A 59 4.525 -10.052 3.591 1.00 2.35 C ATOM 984 NZ LYS A 59 4.353 -10.290 2.130 1.00 1.43 N ATOM 0 H LYS A 59 3.419 -6.567 6.311 1.00 43.44 H new ATOM 0 HA LYS A 59 1.391 -7.739 4.752 1.00 21.22 H new ATOM 0 HB2 LYS A 59 2.445 -8.537 7.461 1.00 53.13 H new ATOM 0 HB3 LYS A 59 1.466 -9.536 6.405 1.00 53.13 H new ATOM 0 HG2 LYS A 59 4.260 -8.499 5.834 1.00 53.13 H new ATOM 0 HG3 LYS A 59 3.815 -10.150 6.218 1.00 53.13 H new ATOM 0 HD2 LYS A 59 2.453 -10.259 4.125 1.00 4.21 H new ATOM 0 HD3 LYS A 59 2.931 -8.618 3.738 1.00 4.21 H new ATOM 0 HE2 LYS A 59 5.333 -9.337 3.748 1.00 2.35 H new ATOM 0 HE3 LYS A 59 4.823 -10.981 4.076 1.00 2.35 H new ATOM 0 HZ1 LYS A 59 5.195 -10.771 1.755 1.00 1.43 H new ATOM 0 HZ2 LYS A 59 3.515 -10.885 1.972 1.00 1.43 H new ATOM 0 HZ3 LYS A 59 4.228 -9.380 1.642 1.00 1.43 H new ATOM 998 N ARG A 60 0.450 -6.523 7.685 1.00 3.30 N ATOM 999 CA ARG A 60 -0.725 -6.062 8.375 1.00 22.21 C ATOM 1000 C ARG A 60 -1.398 -4.988 7.619 1.00 3.22 C ATOM 1001 O ARG A 60 -2.591 -4.931 7.606 1.00 52.12 O ATOM 1002 CB ARG A 60 -0.476 -5.581 9.799 1.00 2.15 C ATOM 1003 CG ARG A 60 -0.384 -6.657 10.851 1.00 42.45 C ATOM 1004 CD ARG A 60 0.874 -7.495 10.690 1.00 31.41 C ATOM 1005 NE ARG A 60 0.999 -8.544 11.704 1.00 52.23 N ATOM 1006 CZ ARG A 60 1.969 -9.470 11.709 1.00 63.31 C ATOM 1007 NH1 ARG A 60 2.874 -9.486 10.729 1.00 54.41 N ATOM 1008 NH2 ARG A 60 2.030 -10.380 12.674 1.00 13.32 N ATOM 0 H ARG A 60 1.329 -6.370 8.179 1.00 3.30 H new ATOM 0 HA ARG A 60 -1.364 -6.943 8.445 1.00 22.21 H new ATOM 0 HB2 ARG A 60 0.451 -5.008 9.811 1.00 2.15 H new ATOM 0 HB3 ARG A 60 -1.278 -4.897 10.076 1.00 2.15 H new ATOM 0 HG2 ARG A 60 -0.393 -6.200 11.841 1.00 42.45 H new ATOM 0 HG3 ARG A 60 -1.261 -7.302 10.790 1.00 42.45 H new ATOM 0 HD2 ARG A 60 0.875 -7.952 9.701 1.00 31.41 H new ATOM 0 HD3 ARG A 60 1.746 -6.843 10.740 1.00 31.41 H new ATOM 0 HE ARG A 60 0.306 -8.572 12.452 1.00 52.23 H new ATOM 0 HH11 ARG A 60 2.827 -8.796 9.980 1.00 54.41 H new ATOM 0 HH12 ARG A 60 3.613 -10.189 10.729 1.00 54.41 H new ATOM 0 HH21 ARG A 60 1.335 -10.379 13.421 1.00 13.32 H new ATOM 0 HH22 ARG A 60 2.772 -11.080 12.669 1.00 13.32 H new ATOM 1022 N PHE A 61 -0.624 -4.142 6.965 1.00 31.30 N ATOM 1023 CA PHE A 61 -1.189 -3.053 6.214 1.00 74.33 C ATOM 1024 C PHE A 61 -2.085 -3.617 5.111 1.00 32.43 C ATOM 1025 O PHE A 61 -3.170 -3.118 4.884 1.00 32.32 O ATOM 1026 CB PHE A 61 -0.095 -2.175 5.619 1.00 53.43 C ATOM 1027 CG PHE A 61 -0.572 -0.797 5.202 1.00 5.21 C ATOM 1028 CD1 PHE A 61 -1.091 -0.549 3.938 1.00 41.13 C ATOM 1029 CD2 PHE A 61 -0.493 0.258 6.100 1.00 12.54 C ATOM 1030 CE1 PHE A 61 -1.517 0.723 3.587 1.00 64.04 C ATOM 1031 CE2 PHE A 61 -0.917 1.525 5.751 1.00 71.24 C ATOM 1032 CZ PHE A 61 -1.427 1.762 4.496 1.00 31.24 C ATOM 0 H PHE A 61 0.394 -4.193 6.943 1.00 31.30 H new ATOM 0 HA PHE A 61 -1.784 -2.430 6.882 1.00 74.33 H new ATOM 0 HB2 PHE A 61 0.707 -2.066 6.349 1.00 53.43 H new ATOM 0 HB3 PHE A 61 0.331 -2.679 4.751 1.00 53.43 H new ATOM 0 HD1 PHE A 61 -1.163 -1.354 3.222 1.00 41.13 H new ATOM 0 HD2 PHE A 61 -0.093 0.085 7.088 1.00 12.54 H new ATOM 0 HE1 PHE A 61 -1.920 0.903 2.601 1.00 64.04 H new ATOM 0 HE2 PHE A 61 -0.848 2.332 6.465 1.00 71.24 H new ATOM 0 HZ PHE A 61 -1.755 2.754 4.222 1.00 31.24 H new ATOM 1042 N ILE A 62 -1.624 -4.684 4.455 1.00 1.44 N ATOM 1043 CA ILE A 62 -2.426 -5.359 3.440 1.00 13.52 C ATOM 1044 C ILE A 62 -3.615 -6.028 4.075 1.00 43.34 C ATOM 1045 O ILE A 62 -4.744 -5.852 3.619 1.00 53.55 O ATOM 1046 CB ILE A 62 -1.635 -6.432 2.647 1.00 20.23 C ATOM 1047 CG1 ILE A 62 -0.441 -5.799 1.927 1.00 34.13 C ATOM 1048 CG2 ILE A 62 -2.560 -7.168 1.654 1.00 61.21 C ATOM 1049 CD1 ILE A 62 -0.821 -4.659 1.020 1.00 3.44 C ATOM 0 H ILE A 62 -0.704 -5.096 4.609 1.00 1.44 H new ATOM 0 HA ILE A 62 -2.737 -4.582 2.741 1.00 13.52 H new ATOM 0 HB ILE A 62 -1.249 -7.168 3.352 1.00 20.23 H new ATOM 0 HG12 ILE A 62 0.272 -5.440 2.669 1.00 34.13 H new ATOM 0 HG13 ILE A 62 0.067 -6.565 1.341 1.00 34.13 H new ATOM 0 HG21 ILE A 62 -1.986 -7.916 1.108 1.00 61.21 H new ATOM 0 HG22 ILE A 62 -3.366 -7.657 2.201 1.00 61.21 H new ATOM 0 HG23 ILE A 62 -2.983 -6.451 0.951 1.00 61.21 H new ATOM 0 HD11 ILE A 62 0.074 -4.259 0.544 1.00 3.44 H new ATOM 0 HD12 ILE A 62 -1.510 -5.017 0.255 1.00 3.44 H new ATOM 0 HD13 ILE A 62 -1.302 -3.874 1.604 1.00 3.44 H new ATOM 1061 N LYS A 63 -3.358 -6.802 5.130 1.00 63.31 N ATOM 1062 CA LYS A 63 -4.438 -7.538 5.838 1.00 54.13 C ATOM 1063 C LYS A 63 -5.530 -6.572 6.279 1.00 32.11 C ATOM 1064 O LYS A 63 -6.728 -6.834 6.123 1.00 21.31 O ATOM 1065 CB LYS A 63 -3.915 -8.250 7.100 1.00 44.42 C ATOM 1066 CG LYS A 63 -2.721 -9.221 6.962 1.00 71.23 C ATOM 1067 CD LYS A 63 -2.949 -10.458 6.080 1.00 31.53 C ATOM 1068 CE LYS A 63 -2.967 -10.157 4.586 1.00 64.41 C ATOM 1069 NZ LYS A 63 -3.076 -11.392 3.796 1.00 3.02 N ATOM 0 H LYS A 63 -2.426 -6.943 5.520 1.00 63.31 H new ATOM 0 HA LYS A 63 -4.825 -8.278 5.137 1.00 54.13 H new ATOM 0 HB2 LYS A 63 -3.635 -7.482 7.821 1.00 44.42 H new ATOM 0 HB3 LYS A 63 -4.746 -8.807 7.534 1.00 44.42 H new ATOM 0 HG2 LYS A 63 -1.873 -8.666 6.561 1.00 71.23 H new ATOM 0 HG3 LYS A 63 -2.438 -9.559 7.959 1.00 71.23 H new ATOM 0 HD2 LYS A 63 -2.165 -11.187 6.284 1.00 31.53 H new ATOM 0 HD3 LYS A 63 -3.895 -10.921 6.359 1.00 31.53 H new ATOM 0 HE2 LYS A 63 -3.805 -9.499 4.355 1.00 64.41 H new ATOM 0 HE3 LYS A 63 -2.058 -9.624 4.309 1.00 64.41 H new ATOM 0 HZ1 LYS A 63 -3.086 -11.156 2.783 1.00 3.02 H new ATOM 0 HZ2 LYS A 63 -2.263 -12.008 4.000 1.00 3.02 H new ATOM 0 HZ3 LYS A 63 -3.956 -11.887 4.045 1.00 3.02 H new ATOM 1083 N TRP A 64 -5.091 -5.457 6.789 1.00 10.31 N ATOM 1084 CA TRP A 64 -5.947 -4.455 7.355 1.00 22.41 C ATOM 1085 C TRP A 64 -6.668 -3.690 6.245 1.00 42.13 C ATOM 1086 O TRP A 64 -7.881 -3.500 6.309 1.00 24.15 O ATOM 1087 CB TRP A 64 -5.100 -3.504 8.178 1.00 34.14 C ATOM 1088 CG TRP A 64 -5.684 -3.136 9.482 1.00 75.14 C ATOM 1089 CD1 TRP A 64 -5.294 -3.612 10.706 1.00 23.01 C ATOM 1090 CD2 TRP A 64 -6.758 -2.224 9.717 1.00 30.34 C ATOM 1091 NE1 TRP A 64 -6.074 -3.047 11.686 1.00 62.11 N ATOM 1092 CE2 TRP A 64 -6.979 -2.186 11.102 1.00 63.10 C ATOM 1093 CE3 TRP A 64 -7.558 -1.430 8.883 1.00 63.25 C ATOM 1094 CZ2 TRP A 64 -7.966 -1.386 11.672 1.00 30.44 C ATOM 1095 CZ3 TRP A 64 -8.530 -0.639 9.450 1.00 24.50 C ATOM 1096 CH2 TRP A 64 -8.728 -0.622 10.830 1.00 22.52 C ATOM 0 H TRP A 64 -4.101 -5.214 6.823 1.00 10.31 H new ATOM 0 HA TRP A 64 -6.698 -4.926 7.990 1.00 22.41 H new ATOM 0 HB2 TRP A 64 -4.124 -3.960 8.347 1.00 34.14 H new ATOM 0 HB3 TRP A 64 -4.931 -2.595 7.600 1.00 34.14 H new ATOM 0 HD1 TRP A 64 -4.497 -4.321 10.874 1.00 23.01 H new ATOM 0 HE1 TRP A 64 -5.996 -3.234 12.686 1.00 62.11 H new ATOM 0 HE3 TRP A 64 -7.413 -1.439 7.813 1.00 63.25 H new ATOM 0 HZ2 TRP A 64 -8.125 -1.369 12.740 1.00 30.44 H new ATOM 0 HZ3 TRP A 64 -9.149 -0.022 8.816 1.00 24.50 H new ATOM 0 HH2 TRP A 64 -9.501 0.009 11.244 1.00 22.52 H new ATOM 1107 N TYR A 65 -5.914 -3.267 5.208 1.00 72.34 N ATOM 1108 CA TYR A 65 -6.493 -2.557 4.066 1.00 23.03 C ATOM 1109 C TYR A 65 -7.542 -3.404 3.401 1.00 51.01 C ATOM 1110 O TYR A 65 -8.539 -2.901 2.939 1.00 61.05 O ATOM 1111 CB TYR A 65 -5.409 -2.174 3.031 1.00 31.13 C ATOM 1112 CG TYR A 65 -5.961 -1.562 1.741 1.00 61.10 C ATOM 1113 CD1 TYR A 65 -6.229 -0.200 1.634 1.00 62.32 C ATOM 1114 CD2 TYR A 65 -6.221 -2.368 0.630 1.00 23.12 C ATOM 1115 CE1 TYR A 65 -6.736 0.336 0.454 1.00 13.40 C ATOM 1116 CE2 TYR A 65 -6.725 -1.843 -0.536 1.00 55.42 C ATOM 1117 CZ TYR A 65 -6.979 -0.494 -0.624 1.00 22.54 C ATOM 1118 OH TYR A 65 -7.488 0.025 -1.798 1.00 2.41 O ATOM 0 H TYR A 65 -4.906 -3.408 5.146 1.00 72.34 H new ATOM 0 HA TYR A 65 -6.948 -1.642 4.445 1.00 23.03 H new ATOM 0 HB2 TYR A 65 -4.719 -1.466 3.490 1.00 31.13 H new ATOM 0 HB3 TYR A 65 -4.832 -3.064 2.780 1.00 31.13 H new ATOM 0 HD1 TYR A 65 -6.041 0.448 2.477 1.00 62.32 H new ATOM 0 HD2 TYR A 65 -6.021 -3.428 0.689 1.00 23.12 H new ATOM 0 HE1 TYR A 65 -6.938 1.394 0.381 1.00 13.40 H new ATOM 0 HE2 TYR A 65 -6.921 -2.487 -1.380 1.00 55.42 H new ATOM 0 HH TYR A 65 -8.455 -0.128 -1.831 1.00 2.41 H new ATOM 1128 N ASN A 66 -7.295 -4.684 3.369 1.00 22.50 N ATOM 1129 CA ASN A 66 -8.162 -5.641 2.717 1.00 55.41 C ATOM 1130 C ASN A 66 -9.557 -5.592 3.359 1.00 74.12 C ATOM 1131 O ASN A 66 -10.578 -5.597 2.669 1.00 73.35 O ATOM 1132 CB ASN A 66 -7.549 -7.026 2.880 1.00 20.15 C ATOM 1133 CG ASN A 66 -7.894 -7.981 1.774 1.00 14.12 C ATOM 1134 OD1 ASN A 66 -8.895 -8.693 1.818 1.00 63.22 O ATOM 1135 ND2 ASN A 66 -7.028 -8.019 0.776 1.00 41.55 N ATOM 0 H ASN A 66 -6.472 -5.104 3.801 1.00 22.50 H new ATOM 0 HA ASN A 66 -8.264 -5.407 1.657 1.00 55.41 H new ATOM 0 HB2 ASN A 66 -6.465 -6.928 2.936 1.00 20.15 H new ATOM 0 HB3 ASN A 66 -7.880 -7.449 3.828 1.00 20.15 H new ATOM 0 HD21 ASN A 66 -7.176 -8.660 -0.004 1.00 41.55 H new ATOM 0 HD22 ASN A 66 -6.212 -7.407 0.786 1.00 41.55 H new ATOM 1142 N ALA A 67 -9.582 -5.505 4.686 1.00 2.12 N ATOM 1143 CA ALA A 67 -10.829 -5.394 5.430 1.00 14.50 C ATOM 1144 C ALA A 67 -11.389 -3.974 5.297 1.00 14.42 C ATOM 1145 O ALA A 67 -12.576 -3.780 5.033 1.00 4.41 O ATOM 1146 CB ALA A 67 -10.600 -5.737 6.898 1.00 22.14 C ATOM 0 H ALA A 67 -8.746 -5.509 5.270 1.00 2.12 H new ATOM 0 HA ALA A 67 -11.551 -6.099 5.019 1.00 14.50 H new ATOM 0 HB1 ALA A 67 -11.540 -5.650 7.443 1.00 22.14 H new ATOM 0 HB2 ALA A 67 -10.227 -6.758 6.979 1.00 22.14 H new ATOM 0 HB3 ALA A 67 -9.869 -5.049 7.323 1.00 22.14 H new ATOM 1152 N TRP A 68 -10.512 -2.998 5.462 1.00 21.22 N ATOM 1153 CA TRP A 68 -10.845 -1.573 5.359 1.00 23.24 C ATOM 1154 C TRP A 68 -11.487 -1.223 4.026 1.00 64.14 C ATOM 1155 O TRP A 68 -12.506 -0.532 3.988 1.00 53.03 O ATOM 1156 CB TRP A 68 -9.577 -0.742 5.602 1.00 25.02 C ATOM 1157 CG TRP A 68 -9.642 0.686 5.141 1.00 62.23 C ATOM 1158 CD1 TRP A 68 -9.074 1.186 4.004 1.00 63.40 C ATOM 1159 CD2 TRP A 68 -10.304 1.792 5.773 1.00 44.42 C ATOM 1160 NE1 TRP A 68 -9.324 2.520 3.901 1.00 34.11 N ATOM 1161 CE2 TRP A 68 -10.077 2.922 4.961 1.00 31.23 C ATOM 1162 CE3 TRP A 68 -11.060 1.941 6.938 1.00 50.01 C ATOM 1163 CZ2 TRP A 68 -10.572 4.175 5.272 1.00 62.32 C ATOM 1164 CZ3 TRP A 68 -11.554 3.197 7.243 1.00 45.21 C ATOM 1165 CH2 TRP A 68 -11.305 4.298 6.408 1.00 1.31 C ATOM 0 H TRP A 68 -9.529 -3.169 5.675 1.00 21.22 H new ATOM 0 HA TRP A 68 -11.587 -1.338 6.122 1.00 23.24 H new ATOM 0 HB2 TRP A 68 -9.356 -0.751 6.669 1.00 25.02 H new ATOM 0 HB3 TRP A 68 -8.742 -1.230 5.100 1.00 25.02 H new ATOM 0 HD1 TRP A 68 -8.508 0.606 3.290 1.00 63.40 H new ATOM 0 HE1 TRP A 68 -8.998 3.124 3.147 1.00 34.11 H new ATOM 0 HE3 TRP A 68 -11.254 1.098 7.584 1.00 50.01 H new ATOM 0 HZ2 TRP A 68 -10.382 5.025 4.634 1.00 62.32 H new ATOM 0 HZ3 TRP A 68 -12.141 3.333 8.139 1.00 45.21 H new ATOM 0 HH2 TRP A 68 -11.706 5.265 6.676 1.00 1.31 H new ATOM 1176 N ASN A 69 -10.903 -1.710 2.952 1.00 64.21 N ATOM 1177 CA ASN A 69 -11.385 -1.447 1.610 1.00 52.51 C ATOM 1178 C ASN A 69 -12.803 -1.936 1.449 1.00 61.24 C ATOM 1179 O ASN A 69 -13.609 -1.294 0.808 1.00 15.12 O ATOM 1180 CB ASN A 69 -10.465 -2.094 0.566 1.00 74.14 C ATOM 1181 CG ASN A 69 -10.911 -1.839 -0.863 1.00 30.21 C ATOM 1182 OD1 ASN A 69 -10.569 -0.816 -1.456 1.00 70.41 O ATOM 1183 ND2 ASN A 69 -11.635 -2.772 -1.438 1.00 51.02 N ATOM 0 H ASN A 69 -10.074 -2.304 2.984 1.00 64.21 H new ATOM 0 HA ASN A 69 -11.376 -0.369 1.449 1.00 52.51 H new ATOM 0 HB2 ASN A 69 -9.452 -1.713 0.697 1.00 74.14 H new ATOM 0 HB3 ASN A 69 -10.426 -3.169 0.742 1.00 74.14 H new ATOM 0 HD21 ASN A 69 -11.932 -2.662 -2.407 1.00 51.02 H new ATOM 0 HD22 ASN A 69 -11.900 -3.607 -0.915 1.00 51.02 H new ATOM 1190 N GLU A 70 -13.098 -3.053 2.065 1.00 54.54 N ATOM 1191 CA GLU A 70 -14.422 -3.606 2.029 1.00 54.05 C ATOM 1192 C GLU A 70 -15.377 -2.754 2.872 1.00 4.20 C ATOM 1193 O GLU A 70 -16.442 -2.363 2.408 1.00 23.52 O ATOM 1194 CB GLU A 70 -14.394 -5.042 2.532 1.00 10.04 C ATOM 1195 CG GLU A 70 -15.741 -5.722 2.536 1.00 23.33 C ATOM 1196 CD GLU A 70 -15.666 -7.133 3.027 1.00 43.21 C ATOM 1197 OE1 GLU A 70 -15.785 -7.359 4.256 1.00 51.20 O ATOM 1198 OE2 GLU A 70 -15.489 -8.045 2.199 1.00 21.51 O ATOM 0 H GLU A 70 -12.427 -3.601 2.603 1.00 54.54 H new ATOM 0 HA GLU A 70 -14.783 -3.603 1.000 1.00 54.05 H new ATOM 0 HB2 GLU A 70 -13.710 -5.620 1.911 1.00 10.04 H new ATOM 0 HB3 GLU A 70 -13.991 -5.053 3.545 1.00 10.04 H new ATOM 0 HG2 GLU A 70 -16.428 -5.157 3.166 1.00 23.33 H new ATOM 0 HG3 GLU A 70 -16.153 -5.713 1.527 1.00 23.33 H new ATOM 1205 N LYS A 71 -14.952 -2.425 4.085 1.00 41.25 N ATOM 1206 CA LYS A 71 -15.768 -1.644 5.037 1.00 22.55 C ATOM 1207 C LYS A 71 -16.075 -0.235 4.573 1.00 0.13 C ATOM 1208 O LYS A 71 -17.104 0.338 4.940 1.00 34.52 O ATOM 1209 CB LYS A 71 -15.141 -1.638 6.437 1.00 34.04 C ATOM 1210 CG LYS A 71 -15.526 -2.829 7.301 1.00 33.31 C ATOM 1211 CD LYS A 71 -15.230 -4.171 6.659 1.00 34.20 C ATOM 1212 CE LYS A 71 -15.766 -5.307 7.506 1.00 22.33 C ATOM 1213 NZ LYS A 71 -15.580 -6.616 6.854 1.00 30.33 N ATOM 0 H LYS A 71 -14.035 -2.686 4.447 1.00 41.25 H new ATOM 0 HA LYS A 71 -16.728 -2.157 5.085 1.00 22.55 H new ATOM 0 HB2 LYS A 71 -14.056 -1.613 6.336 1.00 34.04 H new ATOM 0 HB3 LYS A 71 -15.435 -0.722 6.950 1.00 34.04 H new ATOM 0 HG2 LYS A 71 -14.993 -2.765 8.250 1.00 33.31 H new ATOM 0 HG3 LYS A 71 -16.590 -2.772 7.528 1.00 33.31 H new ATOM 0 HD2 LYS A 71 -15.678 -4.210 5.666 1.00 34.20 H new ATOM 0 HD3 LYS A 71 -14.154 -4.286 6.528 1.00 34.20 H new ATOM 0 HE2 LYS A 71 -15.262 -5.308 8.472 1.00 22.33 H new ATOM 0 HE3 LYS A 71 -16.826 -5.146 7.700 1.00 22.33 H new ATOM 0 HZ1 LYS A 71 -16.321 -7.272 7.174 1.00 30.33 H new ATOM 0 HZ2 LYS A 71 -15.640 -6.502 5.822 1.00 30.33 H new ATOM 0 HZ3 LYS A 71 -14.647 -7.000 7.106 1.00 30.33 H new ATOM 1227 N ARG A 72 -15.201 0.325 3.802 1.00 74.03 N ATOM 1228 CA ARG A 72 -15.430 1.655 3.263 1.00 54.41 C ATOM 1229 C ARG A 72 -16.202 1.593 1.949 1.00 21.25 C ATOM 1230 O ARG A 72 -16.762 2.590 1.501 1.00 51.04 O ATOM 1231 CB ARG A 72 -14.124 2.405 3.047 1.00 42.25 C ATOM 1232 CG ARG A 72 -13.223 1.788 2.010 1.00 63.44 C ATOM 1233 CD ARG A 72 -11.984 2.607 1.832 1.00 14.34 C ATOM 1234 NE ARG A 72 -12.274 3.963 1.362 1.00 72.11 N ATOM 1235 CZ ARG A 72 -11.364 4.824 0.913 1.00 43.04 C ATOM 1236 NH1 ARG A 72 -10.121 4.416 0.717 1.00 1.31 N ATOM 1237 NH2 ARG A 72 -11.723 6.067 0.602 1.00 54.32 N ATOM 0 H ARG A 72 -14.319 -0.105 3.523 1.00 74.03 H new ATOM 0 HA ARG A 72 -16.024 2.195 4.000 1.00 54.41 H new ATOM 0 HB2 ARG A 72 -14.351 3.430 2.752 1.00 42.25 H new ATOM 0 HB3 ARG A 72 -13.587 2.457 3.994 1.00 42.25 H new ATOM 0 HG2 ARG A 72 -12.955 0.775 2.310 1.00 63.44 H new ATOM 0 HG3 ARG A 72 -13.753 1.710 1.061 1.00 63.44 H new ATOM 0 HD2 ARG A 72 -11.448 2.661 2.780 1.00 14.34 H new ATOM 0 HD3 ARG A 72 -11.324 2.112 1.120 1.00 14.34 H new ATOM 0 HE ARG A 72 -13.246 4.271 1.380 1.00 72.11 H new ATOM 0 HH11 ARG A 72 -9.866 3.447 0.910 1.00 1.31 H new ATOM 0 HH12 ARG A 72 -9.418 5.070 0.373 1.00 1.31 H new ATOM 0 HH21 ARG A 72 -12.695 6.359 0.708 1.00 54.32 H new ATOM 0 HH22 ARG A 72 -11.027 6.728 0.258 1.00 54.32 H new ATOM 1251 N ARG A 73 -16.232 0.425 1.342 1.00 55.24 N ATOM 1252 CA ARG A 73 -16.877 0.257 0.058 1.00 34.21 C ATOM 1253 C ARG A 73 -18.336 -0.088 0.266 1.00 30.44 C ATOM 1254 O ARG A 73 -19.226 0.599 -0.247 1.00 50.25 O ATOM 1255 CB ARG A 73 -16.164 -0.823 -0.746 1.00 23.41 C ATOM 1256 CG ARG A 73 -16.627 -0.973 -2.175 1.00 74.43 C ATOM 1257 CD ARG A 73 -15.785 -2.010 -2.886 1.00 50.25 C ATOM 1258 NE ARG A 73 -16.120 -2.130 -4.300 1.00 32.12 N ATOM 1259 CZ ARG A 73 -15.593 -3.032 -5.131 1.00 12.32 C ATOM 1260 NH1 ARG A 73 -14.738 -3.963 -4.670 1.00 14.40 N ATOM 1261 NH2 ARG A 73 -15.927 -3.010 -6.418 1.00 11.32 N ATOM 0 H ARG A 73 -15.815 -0.426 1.720 1.00 55.24 H new ATOM 0 HA ARG A 73 -16.820 1.188 -0.506 1.00 34.21 H new ATOM 0 HB2 ARG A 73 -15.096 -0.606 -0.748 1.00 23.41 H new ATOM 0 HB3 ARG A 73 -16.294 -1.778 -0.237 1.00 23.41 H new ATOM 0 HG2 ARG A 73 -17.676 -1.267 -2.197 1.00 74.43 H new ATOM 0 HG3 ARG A 73 -16.554 -0.016 -2.692 1.00 74.43 H new ATOM 0 HD2 ARG A 73 -14.732 -1.748 -2.787 1.00 50.25 H new ATOM 0 HD3 ARG A 73 -15.920 -2.977 -2.401 1.00 50.25 H new ATOM 0 HE ARG A 73 -16.806 -1.478 -4.681 1.00 32.12 H new ATOM 0 HH11 ARG A 73 -14.489 -3.982 -3.681 1.00 14.40 H new ATOM 0 HH12 ARG A 73 -14.338 -4.650 -5.310 1.00 14.40 H new ATOM 0 HH21 ARG A 73 -16.581 -2.308 -6.763 1.00 11.32 H new ATOM 0 HH22 ARG A 73 -15.529 -3.695 -7.060 1.00 11.32 H new ATOM 1275 N VAL A 74 -18.584 -1.125 1.031 1.00 74.30 N ATOM 1276 CA VAL A 74 -19.934 -1.491 1.345 1.00 23.14 C ATOM 1277 C VAL A 74 -20.343 -0.746 2.600 1.00 32.14 C ATOM 1278 O VAL A 74 -19.512 -0.487 3.481 1.00 72.33 O ATOM 1279 CB VAL A 74 -20.127 -3.038 1.510 1.00 51.33 C ATOM 1280 CG1 VAL A 74 -19.317 -3.603 2.665 1.00 73.45 C ATOM 1281 CG2 VAL A 74 -21.602 -3.410 1.644 1.00 11.54 C ATOM 0 H VAL A 74 -17.869 -1.724 1.443 1.00 74.30 H new ATOM 0 HA VAL A 74 -20.576 -1.210 0.510 1.00 23.14 H new ATOM 0 HB VAL A 74 -19.746 -3.495 0.597 1.00 51.33 H new ATOM 0 HG11 VAL A 74 -19.486 -4.677 2.736 1.00 73.45 H new ATOM 0 HG12 VAL A 74 -18.257 -3.413 2.494 1.00 73.45 H new ATOM 0 HG13 VAL A 74 -19.626 -3.125 3.594 1.00 73.45 H new ATOM 0 HG21 VAL A 74 -21.696 -4.490 1.756 1.00 11.54 H new ATOM 0 HG22 VAL A 74 -22.024 -2.916 2.519 1.00 11.54 H new ATOM 0 HG23 VAL A 74 -22.140 -3.090 0.752 1.00 11.54 H new ATOM 1291 N TYR A 75 -21.570 -0.362 2.667 1.00 11.22 N ATOM 1292 CA TYR A 75 -22.045 0.396 3.780 1.00 42.11 C ATOM 1293 C TYR A 75 -22.439 -0.515 4.915 1.00 32.12 C ATOM 1294 O TYR A 75 -23.499 -1.145 4.898 1.00 73.21 O ATOM 1295 CB TYR A 75 -23.180 1.324 3.358 1.00 33.32 C ATOM 1296 CG TYR A 75 -22.761 2.280 2.266 1.00 22.54 C ATOM 1297 CD1 TYR A 75 -22.123 3.476 2.565 1.00 32.12 C ATOM 1298 CD2 TYR A 75 -22.989 1.977 0.934 1.00 65.24 C ATOM 1299 CE1 TYR A 75 -21.727 4.341 1.564 1.00 62.10 C ATOM 1300 CE2 TYR A 75 -22.598 2.830 -0.069 1.00 10.44 C ATOM 1301 CZ TYR A 75 -21.968 4.008 0.247 1.00 74.45 C ATOM 1302 OH TYR A 75 -21.577 4.869 -0.765 1.00 73.30 O ATOM 0 H TYR A 75 -22.274 -0.562 1.956 1.00 11.22 H new ATOM 0 HA TYR A 75 -21.236 1.029 4.145 1.00 42.11 H new ATOM 0 HB2 TYR A 75 -24.024 0.728 3.012 1.00 33.32 H new ATOM 0 HB3 TYR A 75 -23.523 1.891 4.223 1.00 33.32 H new ATOM 0 HD1 TYR A 75 -21.933 3.734 3.596 1.00 32.12 H new ATOM 0 HD2 TYR A 75 -23.484 1.052 0.679 1.00 65.24 H new ATOM 0 HE1 TYR A 75 -21.233 5.270 1.810 1.00 62.10 H new ATOM 0 HE2 TYR A 75 -22.785 2.575 -1.102 1.00 10.44 H new ATOM 0 HH TYR A 75 -21.820 4.485 -1.633 1.00 73.30 H new ATOM 1312 N GLU A 76 -21.541 -0.624 5.864 1.00 33.45 N ATOM 1313 CA GLU A 76 -21.728 -1.437 7.040 1.00 3.51 C ATOM 1314 C GLU A 76 -22.843 -0.938 7.903 1.00 54.33 C ATOM 1315 O GLU A 76 -22.971 0.264 8.155 1.00 24.21 O ATOM 1316 CB GLU A 76 -20.448 -1.522 7.841 1.00 43.24 C ATOM 1317 CG GLU A 76 -19.397 -2.386 7.205 1.00 71.21 C ATOM 1318 CD GLU A 76 -19.813 -3.835 7.174 1.00 12.12 C ATOM 1319 OE1 GLU A 76 -19.632 -4.525 8.199 1.00 50.20 O ATOM 1320 OE2 GLU A 76 -20.325 -4.313 6.137 1.00 23.11 O ATOM 0 H GLU A 76 -20.643 -0.141 5.840 1.00 33.45 H new ATOM 0 HA GLU A 76 -22.001 -2.434 6.695 1.00 3.51 H new ATOM 0 HB2 GLU A 76 -20.047 -0.518 7.977 1.00 43.24 H new ATOM 0 HB3 GLU A 76 -20.675 -1.912 8.833 1.00 43.24 H new ATOM 0 HG2 GLU A 76 -19.207 -2.040 6.189 1.00 71.21 H new ATOM 0 HG3 GLU A 76 -18.462 -2.287 7.756 1.00 71.21 H new ATOM 1327 N GLU A 77 -23.638 -1.851 8.337 1.00 15.44 N ATOM 1328 CA GLU A 77 -24.734 -1.574 9.191 1.00 62.23 C ATOM 1329 C GLU A 77 -24.913 -2.763 10.092 1.00 32.15 C ATOM 1330 O GLU A 77 -25.569 -3.741 9.674 1.00 38.63 O ATOM 1331 CB GLU A 77 -26.005 -1.311 8.389 1.00 14.42 C ATOM 1332 CG GLU A 77 -27.207 -0.962 9.249 1.00 74.52 C ATOM 1333 CD GLU A 77 -28.456 -0.794 8.447 1.00 34.40 C ATOM 1334 OE1 GLU A 77 -29.167 -1.802 8.231 1.00 12.14 O ATOM 1335 OE2 GLU A 77 -28.752 0.329 8.023 1.00 14.03 O ATOM 1336 OXT GLU A 77 -24.359 -2.757 11.208 1.00 38.63 O ATOM 0 H GLU A 77 -23.540 -2.838 8.100 1.00 15.44 H new ATOM 0 HA GLU A 77 -24.537 -0.675 9.775 1.00 62.23 H new ATOM 0 HB2 GLU A 77 -25.821 -0.496 7.689 1.00 14.42 H new ATOM 0 HB3 GLU A 77 -26.239 -2.194 7.795 1.00 14.42 H new ATOM 0 HG2 GLU A 77 -27.358 -1.746 9.991 1.00 74.52 H new ATOM 0 HG3 GLU A 77 -27.003 -0.041 9.795 1.00 74.52 H new TER 1343 GLU A 77