USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 573 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 29 SER OG : rot -74:sc= 0.812 USER MOD Set 1.2: A 30 HIS : no HE2:sc= 0.99 K(o=1.8,f=-10!) USER MOD Single : A 7 LYS NZ :NH3+ -105:sc= -1.77! (180deg=-6.54!) USER MOD Single : A 13 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.329) USER MOD Single : A 14 HIS : no HE2:sc= -0.341 K(o=-0.34,f=-6.3!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.118 USER MOD Single : A 18 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.152) USER MOD Single : A 24 MET CE :methyl -156:sc= -0.312 (180deg=-0.998) USER MOD Single : A 28 TYR OH : rot 180:sc= -0.11 USER MOD Single : A 31 TYR OH : rot 153:sc= 0.285 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.188 K(o=-0.19,f=-4.6!) USER MOD Single : A 35 THR OG1 : rot -76:sc= 0.614 USER MOD Single : A 52 LYS NZ :NH3+ 130:sc= -1.47! (180deg=-2.8!) USER MOD Single : A 54 LYS NZ :NH3+ -140:sc= -0.15 (180deg=-1.42!) USER MOD Single : A 59 ASN : amide:sc= -2.7 K(o=-2.7,f=-8.6!) USER MOD Single : A 62 LYS NZ :NH3+ 143:sc= -0.05 (180deg=-0.465) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 116:sc= 0.426 USER MOD Single : A 66 LYS NZ :NH3+ 150:sc= -0.0957 (180deg=-0.617) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 153:sc= -0.162 (180deg=-1.2!) USER MOD Single : A 73 TYR OH : rot 180:sc= -1 USER MOD Single : A 76 LYS NZ :NH3+ -126:sc= 1.19 (180deg=-1.36!) USER MOD Single : A 81 LYS NZ :NH3+ 178:sc= 0.301 (180deg=0.18!) USER MOD Single : A 82 LYS NZ :NH3+ -171:sc= -1.24! (180deg=-1.91!) USER MOD Single : A 83 LYS NZ :NH3+ -168:sc= -2.64! (180deg=-2.79!) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N ALA A 3 3.190 8.117 10.263 1.00 1.24 N ATOM 32 CA ALA A 3 3.620 7.151 11.300 1.00 1.38 C ATOM 33 C ALA A 3 4.186 8.016 12.463 1.00 0.94 C ATOM 34 O ALA A 3 3.688 9.068 12.841 1.00 1.18 O ATOM 35 CB ALA A 3 4.660 6.246 10.597 1.00 3.15 C ATOM 0 HA ALA A 3 2.849 6.506 11.721 1.00 1.38 H new ATOM 0 HB1 ALA A 3 5.029 5.500 11.301 1.00 3.15 H new ATOM 0 HB2 ALA A 3 4.192 5.745 9.750 1.00 3.15 H new ATOM 0 HB3 ALA A 3 5.493 6.855 10.244 1.00 3.15 H new ATOM 41 N GLU A 4 5.267 7.481 12.958 1.00 0.47 N ATOM 42 CA GLU A 4 6.055 8.067 14.073 1.00 0.25 C ATOM 43 C GLU A 4 6.512 9.498 13.729 1.00 0.31 C ATOM 44 O GLU A 4 6.744 10.323 14.585 1.00 0.41 O ATOM 45 CB GLU A 4 7.254 7.088 14.331 1.00 0.52 C ATOM 46 CG GLU A 4 7.980 6.581 12.996 1.00 1.31 C ATOM 47 CD GLU A 4 9.118 5.573 13.256 1.00 0.56 C ATOM 48 OE1 GLU A 4 9.256 5.141 14.388 1.00 2.00 O ATOM 49 OE2 GLU A 4 9.780 5.295 12.268 1.00 2.16 O ATOM 0 H GLU A 4 5.656 6.605 12.609 1.00 0.47 H new ATOM 0 HA GLU A 4 5.460 8.168 14.981 1.00 0.25 H new ATOM 0 HB2 GLU A 4 7.988 7.587 14.964 1.00 0.52 H new ATOM 0 HB3 GLU A 4 6.890 6.223 14.886 1.00 0.52 H new ATOM 0 HG2 GLU A 4 7.239 6.119 12.343 1.00 1.31 H new ATOM 0 HG3 GLU A 4 8.383 7.442 12.463 1.00 1.31 H new ATOM 56 N PHE A 5 6.621 9.756 12.464 1.00 0.34 N ATOM 57 CA PHE A 5 7.061 11.115 11.997 1.00 0.45 C ATOM 58 C PHE A 5 6.002 12.174 12.195 1.00 0.58 C ATOM 59 O PHE A 5 6.239 13.175 12.834 1.00 0.62 O ATOM 60 CB PHE A 5 7.372 11.060 10.542 1.00 0.40 C ATOM 61 CG PHE A 5 7.578 12.481 9.994 1.00 0.36 C ATOM 62 CD1 PHE A 5 8.647 13.259 10.388 1.00 0.12 C ATOM 63 CD2 PHE A 5 6.673 12.986 9.085 1.00 0.78 C ATOM 64 CE1 PHE A 5 8.805 14.530 9.871 1.00 0.14 C ATOM 65 CE2 PHE A 5 6.825 14.246 8.572 1.00 0.76 C ATOM 66 CZ PHE A 5 7.889 15.019 8.960 1.00 0.31 C ATOM 0 H PHE A 5 6.426 9.088 11.719 1.00 0.34 H new ATOM 0 HA PHE A 5 7.934 11.382 12.593 1.00 0.45 H new ATOM 0 HB2 PHE A 5 8.269 10.464 10.376 1.00 0.40 H new ATOM 0 HB3 PHE A 5 6.559 10.569 10.006 1.00 0.40 H new ATOM 0 HD1 PHE A 5 9.361 12.874 11.101 1.00 0.12 H new ATOM 0 HD2 PHE A 5 5.834 12.381 8.774 1.00 0.78 H new ATOM 0 HE1 PHE A 5 9.642 15.140 10.178 1.00 0.14 H new ATOM 0 HE2 PHE A 5 6.108 14.631 7.862 1.00 0.76 H new ATOM 0 HZ PHE A 5 8.011 16.012 8.553 1.00 0.31 H new ATOM 76 N ASP A 6 4.858 11.905 11.638 1.00 0.66 N ATOM 77 CA ASP A 6 3.773 12.865 11.766 1.00 0.86 C ATOM 78 C ASP A 6 3.429 12.859 13.224 1.00 0.72 C ATOM 79 O ASP A 6 3.262 13.915 13.785 1.00 0.70 O ATOM 80 CB ASP A 6 2.752 12.351 10.819 1.00 1.28 C ATOM 81 CG ASP A 6 3.242 12.765 9.440 1.00 1.62 C ATOM 82 OD1 ASP A 6 3.324 13.976 9.248 1.00 2.29 O ATOM 83 OD2 ASP A 6 3.503 11.849 8.672 1.00 1.51 O ATOM 0 H ASP A 6 4.644 11.062 11.105 1.00 0.66 H new ATOM 0 HA ASP A 6 3.950 13.910 11.510 1.00 0.86 H new ATOM 0 HB2 ASP A 6 2.656 11.268 10.894 1.00 1.28 H new ATOM 0 HB3 ASP A 6 1.770 12.774 11.031 1.00 1.28 H new ATOM 88 N LYS A 7 3.329 11.707 13.840 1.00 0.73 N ATOM 89 CA LYS A 7 3.002 11.766 15.284 1.00 0.81 C ATOM 90 C LYS A 7 4.092 12.641 15.953 1.00 0.58 C ATOM 91 O LYS A 7 3.747 13.497 16.734 1.00 0.60 O ATOM 92 CB LYS A 7 3.002 10.356 15.892 1.00 0.91 C ATOM 93 CG LYS A 7 2.286 10.448 17.269 1.00 1.30 C ATOM 94 CD LYS A 7 0.746 10.664 17.026 1.00 3.80 C ATOM 95 CE LYS A 7 -0.021 10.893 18.321 1.00 4.49 C ATOM 96 NZ LYS A 7 0.443 12.178 18.908 1.00 6.48 N ATOM 0 H LYS A 7 3.452 10.781 13.430 1.00 0.73 H new ATOM 0 HA LYS A 7 2.010 12.188 15.442 1.00 0.81 H new ATOM 0 HB2 LYS A 7 2.486 9.655 15.236 1.00 0.91 H new ATOM 0 HB3 LYS A 7 4.021 9.989 16.012 1.00 0.91 H new ATOM 0 HG2 LYS A 7 2.453 9.537 17.843 1.00 1.30 H new ATOM 0 HG3 LYS A 7 2.695 11.272 17.853 1.00 1.30 H new ATOM 0 HD2 LYS A 7 0.602 11.519 16.366 1.00 3.80 H new ATOM 0 HD3 LYS A 7 0.336 9.793 16.514 1.00 3.80 H new ATOM 0 HE2 LYS A 7 -1.093 10.927 18.128 1.00 4.49 H new ATOM 0 HE3 LYS A 7 0.152 10.072 19.017 1.00 4.49 H new ATOM 0 HZ1 LYS A 7 1.064 11.985 19.720 1.00 6.48 H new ATOM 0 HZ2 LYS A 7 0.968 12.718 18.191 1.00 6.48 H new ATOM 0 HZ3 LYS A 7 -0.378 12.732 19.225 1.00 6.48 H new ATOM 110 N ALA A 8 5.366 12.459 15.668 1.00 0.38 N ATOM 111 CA ALA A 8 6.372 13.339 16.346 1.00 0.33 C ATOM 112 C ALA A 8 6.028 14.809 16.027 1.00 0.26 C ATOM 113 O ALA A 8 5.870 15.635 16.894 1.00 0.34 O ATOM 114 CB ALA A 8 7.752 12.914 15.817 1.00 0.47 C ATOM 0 H ALA A 8 5.740 11.766 15.020 1.00 0.38 H new ATOM 0 HA ALA A 8 6.369 13.243 17.432 1.00 0.33 H new ATOM 0 HB1 ALA A 8 8.524 13.527 16.282 1.00 0.47 H new ATOM 0 HB2 ALA A 8 7.927 11.866 16.058 1.00 0.47 H new ATOM 0 HB3 ALA A 8 7.784 13.048 14.736 1.00 0.47 H new ATOM 120 N ALA A 9 5.906 15.076 14.770 1.00 0.34 N ATOM 121 CA ALA A 9 5.573 16.451 14.261 1.00 0.49 C ATOM 122 C ALA A 9 4.306 17.044 14.912 1.00 0.52 C ATOM 123 O ALA A 9 4.196 18.217 15.225 1.00 0.59 O ATOM 124 CB ALA A 9 5.409 16.331 12.750 1.00 0.72 C ATOM 0 H ALA A 9 6.025 14.380 14.034 1.00 0.34 H new ATOM 0 HA ALA A 9 6.375 17.141 14.522 1.00 0.49 H new ATOM 0 HB1 ALA A 9 5.165 17.308 12.332 1.00 0.72 H new ATOM 0 HB2 ALA A 9 6.339 15.970 12.311 1.00 0.72 H new ATOM 0 HB3 ALA A 9 4.605 15.630 12.526 1.00 0.72 H new ATOM 130 N GLU A 10 3.373 16.178 15.136 1.00 0.54 N ATOM 131 CA GLU A 10 2.072 16.538 15.740 1.00 0.63 C ATOM 132 C GLU A 10 2.301 16.814 17.227 1.00 0.51 C ATOM 133 O GLU A 10 1.854 17.827 17.737 1.00 0.61 O ATOM 134 CB GLU A 10 1.157 15.337 15.438 1.00 0.92 C ATOM 135 CG GLU A 10 -0.189 15.443 16.207 1.00 1.18 C ATOM 136 CD GLU A 10 -0.207 14.600 17.489 1.00 1.48 C ATOM 137 OE1 GLU A 10 0.770 14.587 18.214 1.00 2.36 O ATOM 138 OE2 GLU A 10 -1.227 13.969 17.709 1.00 2.35 O ATOM 0 H GLU A 10 3.464 15.187 14.914 1.00 0.54 H new ATOM 0 HA GLU A 10 1.606 17.441 15.346 1.00 0.63 H new ATOM 0 HB2 GLU A 10 0.963 15.286 14.367 1.00 0.92 H new ATOM 0 HB3 GLU A 10 1.664 14.413 15.715 1.00 0.92 H new ATOM 0 HG2 GLU A 10 -0.377 16.486 16.461 1.00 1.18 H new ATOM 0 HG3 GLU A 10 -1.001 15.122 15.555 1.00 1.18 H new ATOM 145 N GLU A 11 3.017 15.918 17.863 1.00 0.39 N ATOM 146 CA GLU A 11 3.315 16.052 19.299 1.00 0.42 C ATOM 147 C GLU A 11 4.155 17.329 19.443 1.00 0.35 C ATOM 148 O GLU A 11 4.029 18.016 20.440 1.00 0.33 O ATOM 149 CB GLU A 11 4.057 14.750 19.738 1.00 0.48 C ATOM 150 CG GLU A 11 3.014 13.582 19.848 1.00 0.68 C ATOM 151 CD GLU A 11 3.465 12.270 20.507 1.00 1.04 C ATOM 152 OE1 GLU A 11 4.595 12.173 20.964 1.00 1.09 O ATOM 153 OE2 GLU A 11 2.584 11.416 20.503 1.00 2.76 O ATOM 0 H GLU A 11 3.410 15.085 17.425 1.00 0.39 H new ATOM 0 HA GLU A 11 2.439 16.151 19.940 1.00 0.42 H new ATOM 0 HB2 GLU A 11 4.832 14.496 19.015 1.00 0.48 H new ATOM 0 HB3 GLU A 11 4.553 14.904 20.696 1.00 0.48 H new ATOM 0 HG2 GLU A 11 2.153 13.955 20.402 1.00 0.68 H new ATOM 0 HG3 GLU A 11 2.668 13.348 18.841 1.00 0.68 H new ATOM 160 N VAL A 12 4.981 17.615 18.456 1.00 0.58 N ATOM 161 CA VAL A 12 5.831 18.842 18.490 1.00 0.53 C ATOM 162 C VAL A 12 4.801 19.956 18.574 1.00 0.62 C ATOM 163 O VAL A 12 4.866 20.775 19.463 1.00 0.70 O ATOM 164 CB VAL A 12 6.715 18.929 17.193 1.00 0.59 C ATOM 165 CG1 VAL A 12 6.380 20.094 16.241 1.00 0.41 C ATOM 166 CG2 VAL A 12 8.170 19.129 17.600 1.00 0.70 C ATOM 0 H VAL A 12 5.099 17.040 17.622 1.00 0.58 H new ATOM 0 HA VAL A 12 6.543 18.877 19.314 1.00 0.53 H new ATOM 0 HB VAL A 12 6.519 17.998 16.662 1.00 0.59 H new ATOM 0 HG11 VAL A 12 7.047 20.063 15.379 1.00 0.41 H new ATOM 0 HG12 VAL A 12 5.347 20.003 15.904 1.00 0.41 H new ATOM 0 HG13 VAL A 12 6.509 21.041 16.765 1.00 0.41 H new ATOM 0 HG21 VAL A 12 8.792 19.191 16.707 1.00 0.70 H new ATOM 0 HG22 VAL A 12 8.264 20.052 18.172 1.00 0.70 H new ATOM 0 HG23 VAL A 12 8.496 18.288 18.212 1.00 0.70 H new ATOM 176 N LYS A 13 3.855 19.974 17.667 1.00 0.68 N ATOM 177 CA LYS A 13 2.801 21.059 17.729 1.00 0.94 C ATOM 178 C LYS A 13 2.048 21.068 19.089 1.00 0.91 C ATOM 179 O LYS A 13 1.223 21.928 19.328 1.00 0.92 O ATOM 180 CB LYS A 13 1.776 20.843 16.597 1.00 1.15 C ATOM 181 CG LYS A 13 2.484 20.942 15.254 1.00 1.94 C ATOM 182 CD LYS A 13 1.472 20.566 14.140 1.00 2.51 C ATOM 183 CE LYS A 13 2.237 20.154 12.882 1.00 5.27 C ATOM 184 NZ LYS A 13 3.165 21.272 12.514 1.00 6.96 N ATOM 0 H LYS A 13 3.759 19.307 16.901 1.00 0.68 H new ATOM 0 HA LYS A 13 3.310 22.016 17.617 1.00 0.94 H new ATOM 0 HB2 LYS A 13 1.302 19.867 16.701 1.00 1.15 H new ATOM 0 HB3 LYS A 13 0.984 21.590 16.660 1.00 1.15 H new ATOM 0 HG2 LYS A 13 2.862 21.952 15.098 1.00 1.94 H new ATOM 0 HG3 LYS A 13 3.344 20.272 15.228 1.00 1.94 H new ATOM 0 HD2 LYS A 13 0.832 19.749 14.474 1.00 2.51 H new ATOM 0 HD3 LYS A 13 0.821 21.413 13.923 1.00 2.51 H new ATOM 0 HE2 LYS A 13 2.798 19.237 13.061 1.00 5.27 H new ATOM 0 HE3 LYS A 13 1.545 19.950 12.065 1.00 5.27 H new ATOM 0 HZ1 LYS A 13 3.438 21.181 11.515 1.00 6.96 H new ATOM 0 HZ2 LYS A 13 2.686 22.183 12.661 1.00 6.96 H new ATOM 0 HZ3 LYS A 13 4.015 21.228 13.111 1.00 6.96 H new ATOM 198 N HIS A 14 2.361 20.117 19.928 1.00 0.91 N ATOM 199 CA HIS A 14 1.735 19.975 21.279 1.00 0.94 C ATOM 200 C HIS A 14 2.799 19.962 22.415 1.00 0.63 C ATOM 201 O HIS A 14 2.452 19.688 23.543 1.00 0.51 O ATOM 202 CB HIS A 14 0.866 18.641 21.224 1.00 1.16 C ATOM 203 CG HIS A 14 1.201 17.626 22.326 1.00 3.04 C ATOM 204 ND1 HIS A 14 2.370 17.110 22.488 1.00 4.40 N ATOM 205 CD2 HIS A 14 0.438 17.059 23.328 1.00 4.63 C ATOM 206 CE1 HIS A 14 2.363 16.291 23.494 1.00 6.63 C ATOM 207 NE2 HIS A 14 1.175 16.232 24.046 1.00 6.76 N ATOM 0 H HIS A 14 3.057 19.400 19.723 1.00 0.91 H new ATOM 0 HA HIS A 14 1.101 20.830 21.516 1.00 0.94 H new ATOM 0 HB2 HIS A 14 -0.189 18.905 21.297 1.00 1.16 H new ATOM 0 HB3 HIS A 14 1.010 18.167 20.253 1.00 1.16 H new ATOM 0 HD1 HIS A 14 3.184 17.316 21.909 1.00 4.40 H new ATOM 0 HD2 HIS A 14 -0.609 17.263 23.499 1.00 4.63 H new ATOM 0 HE1 HIS A 14 3.223 15.731 23.832 1.00 6.63 H new ATOM 215 N LEU A 15 4.057 20.262 22.175 1.00 0.62 N ATOM 216 CA LEU A 15 5.032 20.216 23.325 1.00 0.65 C ATOM 217 C LEU A 15 4.679 21.163 24.487 1.00 0.82 C ATOM 218 O LEU A 15 4.056 22.188 24.299 1.00 0.99 O ATOM 219 CB LEU A 15 6.456 20.638 22.914 1.00 0.99 C ATOM 220 CG LEU A 15 7.057 19.918 21.725 1.00 1.47 C ATOM 221 CD1 LEU A 15 8.523 20.314 21.692 1.00 1.77 C ATOM 222 CD2 LEU A 15 6.958 18.391 21.855 1.00 1.69 C ATOM 0 H LEU A 15 4.444 20.528 21.269 1.00 0.62 H new ATOM 0 HA LEU A 15 4.977 19.173 23.637 1.00 0.65 H new ATOM 0 HB2 LEU A 15 6.446 21.706 22.697 1.00 0.99 H new ATOM 0 HB3 LEU A 15 7.115 20.493 23.770 1.00 0.99 H new ATOM 0 HG LEU A 15 6.518 20.194 20.818 1.00 1.47 H new ATOM 0 HD11 LEU A 15 9.014 19.824 20.851 1.00 1.77 H new ATOM 0 HD12 LEU A 15 8.605 21.395 21.580 1.00 1.77 H new ATOM 0 HD13 LEU A 15 9.004 20.008 22.621 1.00 1.77 H new ATOM 0 HD21 LEU A 15 7.403 17.922 20.978 1.00 1.69 H new ATOM 0 HD22 LEU A 15 7.490 18.067 22.749 1.00 1.69 H new ATOM 0 HD23 LEU A 15 5.910 18.099 21.931 1.00 1.69 H new ATOM 234 N LYS A 16 5.101 20.794 25.667 1.00 0.85 N ATOM 235 CA LYS A 16 4.839 21.644 26.876 1.00 1.05 C ATOM 236 C LYS A 16 5.288 23.117 26.683 1.00 1.04 C ATOM 237 O LYS A 16 4.730 24.052 27.219 1.00 1.07 O ATOM 238 CB LYS A 16 5.606 21.055 28.071 1.00 1.13 C ATOM 239 CG LYS A 16 4.966 21.521 29.400 1.00 1.57 C ATOM 240 CD LYS A 16 3.665 20.710 29.512 1.00 1.87 C ATOM 241 CE LYS A 16 3.081 20.701 30.901 1.00 2.55 C ATOM 242 NZ LYS A 16 2.030 19.642 30.857 1.00 4.81 N ATOM 0 H LYS A 16 5.620 19.935 25.851 1.00 0.85 H new ATOM 0 HA LYS A 16 3.762 21.644 27.047 1.00 1.05 H new ATOM 0 HB2 LYS A 16 5.597 19.966 28.017 1.00 1.13 H new ATOM 0 HB3 LYS A 16 6.649 21.368 28.032 1.00 1.13 H new ATOM 0 HG2 LYS A 16 5.626 21.329 30.246 1.00 1.57 H new ATOM 0 HG3 LYS A 16 4.765 22.592 29.389 1.00 1.57 H new ATOM 0 HD2 LYS A 16 2.930 21.120 28.820 1.00 1.87 H new ATOM 0 HD3 LYS A 16 3.858 19.683 29.201 1.00 1.87 H new ATOM 0 HE2 LYS A 16 3.841 20.476 31.650 1.00 2.55 H new ATOM 0 HE3 LYS A 16 2.657 21.671 31.160 1.00 2.55 H new ATOM 0 HZ1 LYS A 16 1.571 19.569 31.788 1.00 4.81 H new ATOM 0 HZ2 LYS A 16 1.319 19.888 30.139 1.00 4.81 H new ATOM 0 HZ3 LYS A 16 2.466 18.730 30.614 1.00 4.81 H new ATOM 256 N THR A 17 6.328 23.261 25.918 1.00 1.03 N ATOM 257 CA THR A 17 6.924 24.605 25.610 1.00 1.04 C ATOM 258 C THR A 17 7.426 24.712 24.157 1.00 0.75 C ATOM 259 O THR A 17 7.288 23.807 23.359 1.00 0.84 O ATOM 260 CB THR A 17 8.047 24.806 26.671 1.00 1.24 C ATOM 261 OG1 THR A 17 7.375 24.852 27.924 1.00 2.02 O ATOM 262 CG2 THR A 17 8.733 26.156 26.711 1.00 1.28 C ATOM 0 H THR A 17 6.813 22.481 25.474 1.00 1.03 H new ATOM 0 HA THR A 17 6.182 25.400 25.675 1.00 1.04 H new ATOM 0 HB THR A 17 8.774 24.025 26.449 1.00 1.24 H new ATOM 0 HG1 THR A 17 8.030 24.976 28.642 1.00 2.02 H new ATOM 0 HG21 THR A 17 9.491 26.156 27.494 1.00 1.28 H new ATOM 0 HG22 THR A 17 9.206 26.353 25.749 1.00 1.28 H new ATOM 0 HG23 THR A 17 7.997 26.932 26.919 1.00 1.28 H new ATOM 270 N LYS A 18 8.003 25.834 23.833 1.00 0.66 N ATOM 271 CA LYS A 18 8.537 26.070 22.452 1.00 0.97 C ATOM 272 C LYS A 18 10.085 25.840 22.413 1.00 0.94 C ATOM 273 O LYS A 18 10.772 26.510 23.163 1.00 0.82 O ATOM 274 CB LYS A 18 8.134 27.531 22.030 1.00 1.13 C ATOM 275 CG LYS A 18 8.812 28.671 22.834 1.00 3.25 C ATOM 276 CD LYS A 18 8.265 30.014 22.228 1.00 3.25 C ATOM 277 CE LYS A 18 8.762 31.265 22.972 1.00 2.81 C ATOM 278 NZ LYS A 18 8.145 31.251 24.339 1.00 2.19 N ATOM 0 H LYS A 18 8.132 26.616 24.475 1.00 0.66 H new ATOM 0 HA LYS A 18 8.110 25.363 21.741 1.00 0.97 H new ATOM 0 HB2 LYS A 18 8.372 27.664 20.975 1.00 1.13 H new ATOM 0 HB3 LYS A 18 7.053 27.634 22.129 1.00 1.13 H new ATOM 0 HG2 LYS A 18 8.573 28.596 23.895 1.00 3.25 H new ATOM 0 HG3 LYS A 18 9.897 28.617 22.747 1.00 3.25 H new ATOM 0 HD2 LYS A 18 8.563 30.080 21.182 1.00 3.25 H new ATOM 0 HD3 LYS A 18 7.175 29.997 22.249 1.00 3.25 H new ATOM 0 HE2 LYS A 18 9.850 31.263 23.042 1.00 2.81 H new ATOM 0 HE3 LYS A 18 8.479 32.169 22.433 1.00 2.81 H new ATOM 0 HZ1 LYS A 18 8.292 32.174 24.796 1.00 2.19 H new ATOM 0 HZ2 LYS A 18 7.125 31.063 24.258 1.00 2.19 H new ATOM 0 HZ3 LYS A 18 8.589 30.506 24.913 1.00 2.19 H new ATOM 292 N PRO A 19 10.604 24.938 21.609 1.00 1.15 N ATOM 293 CA PRO A 19 12.081 24.694 21.539 1.00 1.32 C ATOM 294 C PRO A 19 12.805 25.979 21.058 1.00 1.17 C ATOM 295 O PRO A 19 12.174 26.885 20.549 1.00 1.07 O ATOM 296 CB PRO A 19 12.181 23.498 20.579 1.00 1.66 C ATOM 297 CG PRO A 19 10.794 22.814 20.741 1.00 2.26 C ATOM 298 CD PRO A 19 9.859 24.021 20.706 1.00 1.34 C ATOM 0 HA PRO A 19 12.566 24.466 22.488 1.00 1.32 H new ATOM 0 HB2 PRO A 19 12.358 23.817 19.552 1.00 1.66 H new ATOM 0 HB3 PRO A 19 12.997 22.828 20.850 1.00 1.66 H new ATOM 0 HG2 PRO A 19 10.586 22.110 19.935 1.00 2.26 H new ATOM 0 HG3 PRO A 19 10.716 22.260 21.677 1.00 2.26 H new ATOM 0 HD2 PRO A 19 9.739 24.428 19.702 1.00 1.34 H new ATOM 0 HD3 PRO A 19 8.861 23.788 21.077 1.00 1.34 H new ATOM 306 N ALA A 20 14.098 26.064 21.202 1.00 1.17 N ATOM 307 CA ALA A 20 14.797 27.307 20.739 1.00 1.00 C ATOM 308 C ALA A 20 14.907 27.401 19.196 1.00 0.90 C ATOM 309 O ALA A 20 14.723 26.432 18.480 1.00 0.88 O ATOM 310 CB ALA A 20 16.202 27.315 21.386 1.00 1.17 C ATOM 0 H ALA A 20 14.696 25.346 21.611 1.00 1.17 H new ATOM 0 HA ALA A 20 14.213 28.175 21.045 1.00 1.00 H new ATOM 0 HB1 ALA A 20 16.742 28.208 21.071 1.00 1.17 H new ATOM 0 HB2 ALA A 20 16.103 27.315 22.471 1.00 1.17 H new ATOM 0 HB3 ALA A 20 16.752 26.428 21.072 1.00 1.17 H new ATOM 316 N ASP A 21 15.197 28.595 18.746 1.00 0.86 N ATOM 317 CA ASP A 21 15.359 28.914 17.294 1.00 0.82 C ATOM 318 C ASP A 21 15.916 27.701 16.534 1.00 0.79 C ATOM 319 O ASP A 21 15.248 27.146 15.684 1.00 0.78 O ATOM 320 CB ASP A 21 16.276 30.140 17.271 1.00 0.85 C ATOM 321 CG ASP A 21 15.704 31.344 18.041 1.00 1.97 C ATOM 322 OD1 ASP A 21 14.652 31.198 18.648 1.00 3.74 O ATOM 323 OD2 ASP A 21 16.390 32.344 17.958 1.00 1.80 O ATOM 0 H ASP A 21 15.334 29.400 19.357 1.00 0.86 H new ATOM 0 HA ASP A 21 14.420 29.137 16.787 1.00 0.82 H new ATOM 0 HB2 ASP A 21 17.242 29.870 17.698 1.00 0.85 H new ATOM 0 HB3 ASP A 21 16.455 30.432 16.236 1.00 0.85 H new ATOM 328 N GLU A 22 17.126 27.330 16.866 1.00 0.76 N ATOM 329 CA GLU A 22 17.783 26.153 16.218 1.00 0.74 C ATOM 330 C GLU A 22 16.839 24.932 16.238 1.00 0.63 C ATOM 331 O GLU A 22 16.491 24.432 15.182 1.00 0.24 O ATOM 332 CB GLU A 22 19.110 25.857 16.990 1.00 0.73 C ATOM 333 CG GLU A 22 20.253 26.894 16.640 1.00 0.88 C ATOM 334 CD GLU A 22 21.378 26.982 17.694 1.00 0.84 C ATOM 335 OE1 GLU A 22 21.108 26.591 18.817 1.00 2.29 O ATOM 336 OE2 GLU A 22 22.440 27.453 17.312 1.00 2.41 O ATOM 0 H GLU A 22 17.696 27.800 17.570 1.00 0.76 H new ATOM 0 HA GLU A 22 18.008 26.368 15.173 1.00 0.74 H new ATOM 0 HB2 GLU A 22 18.917 25.881 18.062 1.00 0.73 H new ATOM 0 HB3 GLU A 22 19.450 24.850 16.750 1.00 0.73 H new ATOM 0 HG2 GLU A 22 20.692 26.623 15.680 1.00 0.88 H new ATOM 0 HG3 GLU A 22 19.807 27.881 16.519 1.00 0.88 H new ATOM 343 N GLU A 23 16.429 24.468 17.397 1.00 1.10 N ATOM 344 CA GLU A 23 15.512 23.285 17.477 1.00 1.04 C ATOM 345 C GLU A 23 14.366 23.465 16.447 1.00 1.06 C ATOM 346 O GLU A 23 14.125 22.615 15.608 1.00 1.11 O ATOM 347 CB GLU A 23 14.970 23.214 18.930 1.00 0.84 C ATOM 348 CG GLU A 23 16.120 23.125 20.017 1.00 0.89 C ATOM 349 CD GLU A 23 17.002 21.883 19.895 1.00 1.72 C ATOM 350 OE1 GLU A 23 17.893 21.942 19.069 1.00 4.02 O ATOM 351 OE2 GLU A 23 16.758 20.931 20.618 1.00 0.74 O ATOM 0 H GLU A 23 16.694 24.863 18.299 1.00 1.10 H new ATOM 0 HA GLU A 23 16.028 22.354 17.240 1.00 1.04 H new ATOM 0 HB2 GLU A 23 14.359 24.095 19.127 1.00 0.84 H new ATOM 0 HB3 GLU A 23 14.318 22.346 19.027 1.00 0.84 H new ATOM 0 HG2 GLU A 23 16.748 24.012 19.939 1.00 0.89 H new ATOM 0 HG3 GLU A 23 15.669 23.141 21.009 1.00 0.89 H new ATOM 358 N MET A 24 13.714 24.603 16.559 1.00 1.02 N ATOM 359 CA MET A 24 12.569 24.950 15.645 1.00 1.03 C ATOM 360 C MET A 24 13.014 24.833 14.180 1.00 0.94 C ATOM 361 O MET A 24 12.335 24.202 13.396 1.00 0.92 O ATOM 362 CB MET A 24 12.070 26.404 15.919 1.00 0.98 C ATOM 363 CG MET A 24 11.484 26.561 17.332 1.00 0.96 C ATOM 364 SD MET A 24 10.428 28.015 17.570 1.00 0.89 S ATOM 365 CE MET A 24 11.673 29.161 18.211 1.00 3.88 C ATOM 0 H MET A 24 13.929 25.317 17.255 1.00 1.02 H new ATOM 0 HA MET A 24 11.753 24.253 15.836 1.00 1.03 H new ATOM 0 HB2 MET A 24 12.899 27.101 15.792 1.00 0.98 H new ATOM 0 HB3 MET A 24 11.313 26.671 15.182 1.00 0.98 H new ATOM 0 HG2 MET A 24 10.905 25.668 17.570 1.00 0.96 H new ATOM 0 HG3 MET A 24 12.306 26.608 18.046 1.00 0.96 H new ATOM 0 HE1 MET A 24 11.184 29.935 18.802 1.00 3.88 H new ATOM 0 HE2 MET A 24 12.380 28.617 18.838 1.00 3.88 H new ATOM 0 HE3 MET A 24 12.206 29.622 17.379 1.00 3.88 H new ATOM 375 N LEU A 25 14.126 25.445 13.860 1.00 0.85 N ATOM 376 CA LEU A 25 14.724 25.443 12.506 1.00 0.74 C ATOM 377 C LEU A 25 14.947 24.015 11.995 1.00 0.58 C ATOM 378 O LEU A 25 14.494 23.667 10.921 1.00 0.38 O ATOM 379 CB LEU A 25 16.020 26.253 12.665 1.00 0.85 C ATOM 380 CG LEU A 25 15.705 27.723 12.427 1.00 0.95 C ATOM 381 CD1 LEU A 25 16.816 28.590 12.995 1.00 0.96 C ATOM 382 CD2 LEU A 25 15.749 27.898 10.927 1.00 1.31 C ATOM 0 H LEU A 25 14.672 25.979 14.537 1.00 0.85 H new ATOM 0 HA LEU A 25 14.078 25.888 11.749 1.00 0.74 H new ATOM 0 HB2 LEU A 25 16.435 26.112 13.663 1.00 0.85 H new ATOM 0 HB3 LEU A 25 16.772 25.907 11.956 1.00 0.85 H new ATOM 0 HG LEU A 25 14.753 27.998 12.882 1.00 0.95 H new ATOM 0 HD11 LEU A 25 16.583 29.640 12.821 1.00 0.96 H new ATOM 0 HD12 LEU A 25 16.905 28.411 14.067 1.00 0.96 H new ATOM 0 HD13 LEU A 25 17.758 28.341 12.506 1.00 0.96 H new ATOM 0 HD21 LEU A 25 15.531 28.936 10.675 1.00 1.31 H new ATOM 0 HD22 LEU A 25 16.741 27.636 10.559 1.00 1.31 H new ATOM 0 HD23 LEU A 25 15.007 27.249 10.463 1.00 1.31 H new ATOM 394 N PHE A 26 15.633 23.251 12.802 1.00 0.73 N ATOM 395 CA PHE A 26 15.954 21.825 12.482 1.00 0.66 C ATOM 396 C PHE A 26 14.613 21.157 12.194 1.00 0.57 C ATOM 397 O PHE A 26 14.410 20.610 11.131 1.00 0.39 O ATOM 398 CB PHE A 26 16.643 21.212 13.699 1.00 0.76 C ATOM 399 CG PHE A 26 17.085 19.775 13.396 1.00 0.61 C ATOM 400 CD1 PHE A 26 16.182 18.738 13.510 1.00 1.99 C ATOM 401 CD2 PHE A 26 18.383 19.496 13.011 1.00 2.79 C ATOM 402 CE1 PHE A 26 16.566 17.442 13.249 1.00 2.18 C ATOM 403 CE2 PHE A 26 18.770 18.197 12.750 1.00 2.63 C ATOM 404 CZ PHE A 26 17.858 17.171 12.869 1.00 0.43 C ATOM 0 H PHE A 26 15.997 23.566 13.701 1.00 0.73 H new ATOM 0 HA PHE A 26 16.621 21.707 11.628 1.00 0.66 H new ATOM 0 HB2 PHE A 26 17.508 21.814 13.977 1.00 0.76 H new ATOM 0 HB3 PHE A 26 15.963 21.218 14.551 1.00 0.76 H new ATOM 0 HD1 PHE A 26 15.164 18.945 13.807 1.00 1.99 H new ATOM 0 HD2 PHE A 26 19.099 20.299 12.914 1.00 2.79 H new ATOM 0 HE1 PHE A 26 15.851 16.638 13.343 1.00 2.18 H new ATOM 0 HE2 PHE A 26 19.786 17.985 12.453 1.00 2.63 H new ATOM 0 HZ PHE A 26 18.159 16.154 12.664 1.00 0.43 H new ATOM 414 N ILE A 27 13.725 21.236 13.154 1.00 0.74 N ATOM 415 CA ILE A 27 12.363 20.630 12.985 1.00 0.74 C ATOM 416 C ILE A 27 11.803 21.199 11.662 1.00 0.59 C ATOM 417 O ILE A 27 11.796 20.509 10.669 1.00 0.42 O ATOM 418 CB ILE A 27 11.532 21.047 14.222 1.00 0.93 C ATOM 419 CG1 ILE A 27 12.059 20.366 15.519 1.00 1.41 C ATOM 420 CG2 ILE A 27 10.038 20.726 14.069 1.00 1.23 C ATOM 421 CD1 ILE A 27 12.066 18.812 15.411 1.00 1.09 C ATOM 0 H ILE A 27 13.883 21.695 14.051 1.00 0.74 H new ATOM 0 HA ILE A 27 12.354 19.542 12.927 1.00 0.74 H new ATOM 0 HB ILE A 27 11.647 22.128 14.300 1.00 0.93 H new ATOM 0 HG12 ILE A 27 13.070 20.718 15.726 1.00 1.41 H new ATOM 0 HG13 ILE A 27 11.437 20.666 16.363 1.00 1.41 H new ATOM 0 HG21 ILE A 27 9.505 21.040 14.966 1.00 1.23 H new ATOM 0 HG22 ILE A 27 9.638 21.257 13.205 1.00 1.23 H new ATOM 0 HG23 ILE A 27 9.909 19.653 13.927 1.00 1.23 H new ATOM 0 HD11 ILE A 27 12.442 18.384 16.341 1.00 1.09 H new ATOM 0 HD12 ILE A 27 11.052 18.455 15.231 1.00 1.09 H new ATOM 0 HD13 ILE A 27 12.709 18.508 14.585 1.00 1.09 H new ATOM 433 N TYR A 28 11.329 22.414 11.683 1.00 0.68 N ATOM 434 CA TYR A 28 10.780 23.067 10.449 1.00 0.59 C ATOM 435 C TYR A 28 11.417 22.540 9.133 1.00 0.40 C ATOM 436 O TYR A 28 10.756 22.002 8.265 1.00 0.45 O ATOM 437 CB TYR A 28 11.004 24.577 10.537 1.00 0.65 C ATOM 438 CG TYR A 28 10.092 25.189 9.468 1.00 0.77 C ATOM 439 CD1 TYR A 28 8.736 25.294 9.721 1.00 2.94 C ATOM 440 CD2 TYR A 28 10.594 25.619 8.254 1.00 1.99 C ATOM 441 CE1 TYR A 28 7.894 25.824 8.769 1.00 3.23 C ATOM 442 CE2 TYR A 28 9.746 26.151 7.303 1.00 1.73 C ATOM 443 CZ TYR A 28 8.392 26.251 7.564 1.00 1.24 C ATOM 444 OH TYR A 28 7.516 26.757 6.633 1.00 1.55 O ATOM 0 H TYR A 28 11.296 22.998 12.519 1.00 0.68 H new ATOM 0 HA TYR A 28 9.719 22.822 10.411 1.00 0.59 H new ATOM 0 HB2 TYR A 28 10.754 24.954 11.529 1.00 0.65 H new ATOM 0 HB3 TYR A 28 12.048 24.830 10.354 1.00 0.65 H new ATOM 0 HD1 TYR A 28 8.337 24.960 10.667 1.00 2.94 H new ATOM 0 HD2 TYR A 28 11.651 25.539 8.049 1.00 1.99 H new ATOM 0 HE1 TYR A 28 6.836 25.904 8.972 1.00 3.23 H new ATOM 0 HE2 TYR A 28 10.140 26.489 6.356 1.00 1.73 H new ATOM 0 HH TYR A 28 8.010 27.021 5.829 1.00 1.55 H new ATOM 454 N SER A 29 12.706 22.702 9.004 1.00 0.20 N ATOM 455 CA SER A 29 13.478 22.253 7.798 1.00 0.04 C ATOM 456 C SER A 29 13.288 20.764 7.503 1.00 0.07 C ATOM 457 O SER A 29 12.891 20.364 6.425 1.00 0.10 O ATOM 458 CB SER A 29 14.960 22.599 8.085 1.00 0.16 C ATOM 459 OG SER A 29 15.296 21.778 9.201 1.00 0.28 O ATOM 0 H SER A 29 13.285 23.147 9.716 1.00 0.20 H new ATOM 0 HA SER A 29 13.120 22.760 6.902 1.00 0.04 H new ATOM 0 HB2 SER A 29 15.594 22.383 7.225 1.00 0.16 H new ATOM 0 HB3 SER A 29 15.085 23.657 8.316 1.00 0.16 H new ATOM 0 HG SER A 29 14.880 22.141 10.011 1.00 0.28 H new ATOM 465 N HIS A 30 13.574 19.976 8.493 1.00 0.11 N ATOM 466 CA HIS A 30 13.439 18.503 8.369 1.00 0.12 C ATOM 467 C HIS A 30 11.971 18.118 8.178 1.00 0.17 C ATOM 468 O HIS A 30 11.691 17.081 7.615 1.00 0.39 O ATOM 469 CB HIS A 30 14.038 17.881 9.630 1.00 0.19 C ATOM 470 CG HIS A 30 15.546 18.073 9.582 1.00 0.23 C ATOM 471 ND1 HIS A 30 16.166 19.207 9.626 1.00 0.30 N ATOM 472 CD2 HIS A 30 16.547 17.131 9.473 1.00 0.25 C ATOM 473 CE1 HIS A 30 17.445 19.003 9.552 1.00 0.37 C ATOM 474 NE2 HIS A 30 17.723 17.725 9.457 1.00 0.34 N ATOM 0 H HIS A 30 13.903 20.297 9.404 1.00 0.11 H new ATOM 0 HA HIS A 30 13.971 18.130 7.494 1.00 0.12 H new ATOM 0 HB2 HIS A 30 13.623 18.352 10.521 1.00 0.19 H new ATOM 0 HB3 HIS A 30 13.791 16.821 9.686 1.00 0.19 H new ATOM 0 HD1 HIS A 30 15.719 20.120 9.706 1.00 0.30 H new ATOM 0 HD2 HIS A 30 16.390 16.064 9.410 1.00 0.25 H new ATOM 0 HE1 HIS A 30 18.187 19.787 9.567 1.00 0.37 H new ATOM 482 N TYR A 31 11.046 18.921 8.627 1.00 0.19 N ATOM 483 CA TYR A 31 9.624 18.534 8.420 1.00 0.16 C ATOM 484 C TYR A 31 9.347 18.845 6.955 1.00 0.17 C ATOM 485 O TYR A 31 8.789 18.023 6.254 1.00 0.22 O ATOM 486 CB TYR A 31 8.659 19.361 9.303 1.00 0.06 C ATOM 487 CG TYR A 31 7.263 18.749 9.080 1.00 0.34 C ATOM 488 CD1 TYR A 31 6.447 19.204 8.061 1.00 2.22 C ATOM 489 CD2 TYR A 31 6.821 17.696 9.869 1.00 2.62 C ATOM 490 CE1 TYR A 31 5.215 18.602 7.844 1.00 2.14 C ATOM 491 CE2 TYR A 31 5.589 17.104 9.640 1.00 2.81 C ATOM 492 CZ TYR A 31 4.779 17.545 8.633 1.00 0.97 C ATOM 493 OH TYR A 31 3.565 16.924 8.404 1.00 1.36 O ATOM 0 H TYR A 31 11.206 19.803 9.114 1.00 0.19 H new ATOM 0 HA TYR A 31 9.467 17.488 8.684 1.00 0.16 H new ATOM 0 HB2 TYR A 31 8.947 19.308 10.353 1.00 0.06 H new ATOM 0 HB3 TYR A 31 8.675 20.414 9.021 1.00 0.06 H new ATOM 0 HD1 TYR A 31 6.767 20.025 7.436 1.00 2.22 H new ATOM 0 HD2 TYR A 31 7.445 17.333 10.672 1.00 2.62 H new ATOM 0 HE1 TYR A 31 4.583 18.963 7.046 1.00 2.14 H new ATOM 0 HE2 TYR A 31 5.266 16.285 10.265 1.00 2.81 H new ATOM 0 HH TYR A 31 3.605 15.999 8.726 1.00 1.36 H new ATOM 503 N LYS A 32 9.733 20.009 6.495 1.00 0.23 N ATOM 504 CA LYS A 32 9.443 20.281 5.051 1.00 0.26 C ATOM 505 C LYS A 32 10.183 19.246 4.193 1.00 0.26 C ATOM 506 O LYS A 32 9.563 18.697 3.310 1.00 0.35 O ATOM 507 CB LYS A 32 9.881 21.695 4.671 1.00 0.36 C ATOM 508 CG LYS A 32 9.128 22.781 5.446 1.00 0.27 C ATOM 509 CD LYS A 32 7.575 22.623 5.332 1.00 0.74 C ATOM 510 CE LYS A 32 6.963 23.952 5.740 1.00 0.90 C ATOM 511 NZ LYS A 32 5.467 23.850 5.851 1.00 1.62 N ATOM 0 H LYS A 32 10.208 20.744 7.018 1.00 0.23 H new ATOM 0 HA LYS A 32 8.370 20.204 4.877 1.00 0.26 H new ATOM 0 HB2 LYS A 32 10.950 21.800 4.854 1.00 0.36 H new ATOM 0 HB3 LYS A 32 9.725 21.844 3.603 1.00 0.36 H new ATOM 0 HG2 LYS A 32 9.419 22.743 6.496 1.00 0.27 H new ATOM 0 HG3 LYS A 32 9.420 23.761 5.070 1.00 0.27 H new ATOM 0 HD2 LYS A 32 7.288 22.362 4.313 1.00 0.74 H new ATOM 0 HD3 LYS A 32 7.220 21.820 5.979 1.00 0.74 H new ATOM 0 HE2 LYS A 32 7.380 24.270 6.695 1.00 0.90 H new ATOM 0 HE3 LYS A 32 7.225 24.716 5.008 1.00 0.90 H new ATOM 0 HZ1 LYS A 32 5.076 24.772 6.131 1.00 1.62 H new ATOM 0 HZ2 LYS A 32 5.069 23.570 4.932 1.00 1.62 H new ATOM 0 HZ3 LYS A 32 5.220 23.137 6.567 1.00 1.62 H new ATOM 525 N GLN A 33 11.450 18.980 4.419 1.00 0.24 N ATOM 526 CA GLN A 33 12.130 17.936 3.548 1.00 0.24 C ATOM 527 C GLN A 33 11.420 16.572 3.715 1.00 0.23 C ATOM 528 O GLN A 33 11.224 15.845 2.760 1.00 0.27 O ATOM 529 CB GLN A 33 13.617 17.742 3.933 1.00 0.21 C ATOM 530 CG GLN A 33 14.252 16.614 3.026 1.00 1.30 C ATOM 531 CD GLN A 33 14.197 16.976 1.533 1.00 0.48 C ATOM 532 OE1 GLN A 33 14.569 18.056 1.149 1.00 2.81 O ATOM 533 NE2 GLN A 33 13.763 16.147 0.639 1.00 0.82 N ATOM 0 H GLN A 33 12.032 19.414 5.135 1.00 0.24 H new ATOM 0 HA GLN A 33 12.070 18.291 2.519 1.00 0.24 H new ATOM 0 HB2 GLN A 33 14.162 18.677 3.804 1.00 0.21 H new ATOM 0 HB3 GLN A 33 13.699 17.467 4.985 1.00 0.21 H new ATOM 0 HG2 GLN A 33 15.289 16.452 3.322 1.00 1.30 H new ATOM 0 HG3 GLN A 33 13.723 15.675 3.191 1.00 1.30 H new ATOM 0 HE21 GLN A 33 13.438 15.221 0.917 1.00 0.82 H new ATOM 0 HE22 GLN A 33 13.746 16.419 -0.344 1.00 0.82 H new ATOM 542 N ALA A 34 11.077 16.240 4.927 1.00 0.18 N ATOM 543 CA ALA A 34 10.374 14.954 5.183 1.00 0.16 C ATOM 544 C ALA A 34 9.053 14.901 4.384 1.00 0.28 C ATOM 545 O ALA A 34 8.774 13.899 3.761 1.00 0.33 O ATOM 546 CB ALA A 34 10.126 14.858 6.699 1.00 0.11 C ATOM 0 H ALA A 34 11.254 16.807 5.756 1.00 0.18 H new ATOM 0 HA ALA A 34 10.975 14.105 4.856 1.00 0.16 H new ATOM 0 HB1 ALA A 34 9.610 13.925 6.925 1.00 0.11 H new ATOM 0 HB2 ALA A 34 11.080 14.883 7.226 1.00 0.11 H new ATOM 0 HB3 ALA A 34 9.512 15.699 7.021 1.00 0.11 H new ATOM 552 N THR A 35 8.297 15.970 4.409 1.00 0.34 N ATOM 553 CA THR A 35 6.966 16.028 3.668 1.00 0.48 C ATOM 554 C THR A 35 6.875 16.639 2.287 1.00 0.55 C ATOM 555 O THR A 35 6.408 15.998 1.367 1.00 0.95 O ATOM 556 CB THR A 35 5.942 16.769 4.506 1.00 0.70 C ATOM 557 OG1 THR A 35 6.531 18.043 4.703 1.00 0.74 O ATOM 558 CG2 THR A 35 5.902 16.173 5.882 1.00 0.67 C ATOM 0 H THR A 35 8.535 16.824 4.914 1.00 0.34 H new ATOM 0 HA THR A 35 6.794 14.963 3.511 1.00 0.48 H new ATOM 0 HB THR A 35 4.957 16.757 4.040 1.00 0.70 H new ATOM 0 HG1 THR A 35 7.239 17.975 5.377 1.00 0.74 H new ATOM 0 HG21 THR A 35 5.167 16.704 6.487 1.00 0.67 H new ATOM 0 HG22 THR A 35 5.626 15.121 5.815 1.00 0.67 H new ATOM 0 HG23 THR A 35 6.885 16.261 6.345 1.00 0.67 H new ATOM 566 N VAL A 36 7.321 17.847 2.178 1.00 0.43 N ATOM 567 CA VAL A 36 7.291 18.584 0.862 1.00 0.42 C ATOM 568 C VAL A 36 8.468 18.067 0.019 1.00 0.27 C ATOM 569 O VAL A 36 8.328 17.705 -1.135 1.00 0.33 O ATOM 570 CB VAL A 36 7.432 20.115 1.151 1.00 0.53 C ATOM 571 CG1 VAL A 36 7.485 20.912 -0.188 1.00 0.55 C ATOM 572 CG2 VAL A 36 6.210 20.604 1.967 1.00 0.58 C ATOM 0 H VAL A 36 7.717 18.381 2.952 1.00 0.43 H new ATOM 0 HA VAL A 36 6.359 18.420 0.321 1.00 0.42 H new ATOM 0 HB VAL A 36 8.351 20.280 1.713 1.00 0.53 H new ATOM 0 HG11 VAL A 36 7.583 21.976 0.026 1.00 0.55 H new ATOM 0 HG12 VAL A 36 8.341 20.579 -0.776 1.00 0.55 H new ATOM 0 HG13 VAL A 36 6.568 20.738 -0.751 1.00 0.55 H new ATOM 0 HG21 VAL A 36 6.310 21.671 2.168 1.00 0.58 H new ATOM 0 HG22 VAL A 36 5.298 20.425 1.398 1.00 0.58 H new ATOM 0 HG23 VAL A 36 6.161 20.060 2.911 1.00 0.58 H new ATOM 582 N GLY A 37 9.601 18.060 0.662 1.00 0.30 N ATOM 583 CA GLY A 37 10.900 17.597 0.076 1.00 0.19 C ATOM 584 C GLY A 37 11.917 18.725 -0.088 1.00 0.21 C ATOM 585 O GLY A 37 12.013 19.672 0.678 1.00 0.28 O ATOM 0 H GLY A 37 9.686 18.375 1.628 1.00 0.30 H new ATOM 0 HA2 GLY A 37 11.325 16.822 0.715 1.00 0.19 H new ATOM 0 HA3 GLY A 37 10.712 17.141 -0.896 1.00 0.19 H new ATOM 589 N ASP A 38 12.670 18.485 -1.122 1.00 0.20 N ATOM 590 CA ASP A 38 13.759 19.374 -1.605 1.00 0.27 C ATOM 591 C ASP A 38 13.183 20.772 -1.777 1.00 0.36 C ATOM 592 O ASP A 38 12.184 20.879 -2.469 1.00 0.25 O ATOM 593 CB ASP A 38 14.183 18.743 -2.911 1.00 0.19 C ATOM 594 CG ASP A 38 14.873 17.446 -2.676 1.00 0.41 C ATOM 595 OD1 ASP A 38 14.226 16.564 -2.141 1.00 0.48 O ATOM 596 OD2 ASP A 38 16.022 17.435 -3.055 1.00 0.67 O ATOM 0 H ASP A 38 12.563 17.645 -1.691 1.00 0.20 H new ATOM 0 HA ASP A 38 14.613 19.474 -0.935 1.00 0.27 H new ATOM 0 HB2 ASP A 38 13.309 18.585 -3.543 1.00 0.19 H new ATOM 0 HB3 ASP A 38 14.847 19.420 -3.448 1.00 0.19 H new ATOM 601 N ILE A 39 13.740 21.812 -1.207 1.00 0.71 N ATOM 602 CA ILE A 39 13.026 23.083 -1.490 1.00 0.81 C ATOM 603 C ILE A 39 12.951 23.407 -2.983 1.00 1.33 C ATOM 604 O ILE A 39 13.834 23.158 -3.789 1.00 1.50 O ATOM 605 CB ILE A 39 13.695 24.232 -0.778 1.00 0.39 C ATOM 606 CG1 ILE A 39 12.610 25.343 -0.639 1.00 0.92 C ATOM 607 CG2 ILE A 39 14.942 24.781 -1.519 1.00 0.44 C ATOM 608 CD1 ILE A 39 12.775 25.841 0.792 1.00 1.41 C ATOM 0 H ILE A 39 14.572 21.842 -0.618 1.00 0.71 H new ATOM 0 HA ILE A 39 12.008 22.946 -1.125 1.00 0.81 H new ATOM 0 HB ILE A 39 14.071 23.891 0.186 1.00 0.39 H new ATOM 0 HG12 ILE A 39 12.765 26.145 -1.361 1.00 0.92 H new ATOM 0 HG13 ILE A 39 11.609 24.947 -0.811 1.00 0.92 H new ATOM 0 HG21 ILE A 39 15.371 25.605 -0.949 1.00 0.44 H new ATOM 0 HG22 ILE A 39 15.682 23.988 -1.623 1.00 0.44 H new ATOM 0 HG23 ILE A 39 14.651 25.137 -2.507 1.00 0.44 H new ATOM 0 HD11 ILE A 39 12.050 26.631 0.988 1.00 1.41 H new ATOM 0 HD12 ILE A 39 12.610 25.016 1.486 1.00 1.41 H new ATOM 0 HD13 ILE A 39 13.783 26.232 0.927 1.00 1.41 H new ATOM 805 N LYS A 52 13.346 33.776 6.729 1.00 1.10 N ATOM 806 CA LYS A 52 14.749 33.598 6.197 1.00 1.03 C ATOM 807 C LYS A 52 15.495 32.404 6.817 1.00 0.61 C ATOM 808 O LYS A 52 15.947 31.535 6.104 1.00 0.58 O ATOM 809 CB LYS A 52 15.514 34.921 6.453 1.00 1.47 C ATOM 810 CG LYS A 52 16.960 34.923 5.858 1.00 1.03 C ATOM 811 CD LYS A 52 16.881 35.133 4.310 1.00 2.84 C ATOM 812 CE LYS A 52 18.250 35.079 3.631 1.00 2.23 C ATOM 813 NZ LYS A 52 18.750 33.689 3.818 1.00 2.12 N ATOM 0 HA LYS A 52 14.691 33.372 5.132 1.00 1.03 H new ATOM 0 HB2 LYS A 52 14.950 35.748 6.022 1.00 1.47 H new ATOM 0 HB3 LYS A 52 15.570 35.099 7.527 1.00 1.47 H new ATOM 0 HG2 LYS A 52 17.552 35.716 6.314 1.00 1.03 H new ATOM 0 HG3 LYS A 52 17.460 33.981 6.084 1.00 1.03 H new ATOM 0 HD2 LYS A 52 16.236 34.368 3.877 1.00 2.84 H new ATOM 0 HD3 LYS A 52 16.416 36.097 4.103 1.00 2.84 H new ATOM 0 HE2 LYS A 52 18.170 35.325 2.572 1.00 2.23 H new ATOM 0 HE3 LYS A 52 18.934 35.802 4.075 1.00 2.23 H new ATOM 0 HZ1 LYS A 52 19.065 33.307 2.903 1.00 2.12 H new ATOM 0 HZ2 LYS A 52 19.548 33.694 4.485 1.00 2.12 H new ATOM 0 HZ3 LYS A 52 17.986 33.093 4.197 1.00 2.12 H new ATOM 827 N ALA A 53 15.578 32.378 8.120 1.00 0.44 N ATOM 828 CA ALA A 53 16.302 31.239 8.760 1.00 0.16 C ATOM 829 C ALA A 53 15.568 29.938 8.364 1.00 0.26 C ATOM 830 O ALA A 53 16.137 29.060 7.758 1.00 0.08 O ATOM 831 CB ALA A 53 16.284 31.492 10.266 1.00 0.56 C ATOM 0 H ALA A 53 15.188 33.074 8.755 1.00 0.44 H new ATOM 0 HA ALA A 53 17.339 31.147 8.438 1.00 0.16 H new ATOM 0 HB1 ALA A 53 16.804 30.682 10.777 1.00 0.56 H new ATOM 0 HB2 ALA A 53 16.783 32.437 10.482 1.00 0.56 H new ATOM 0 HB3 ALA A 53 15.252 31.538 10.615 1.00 0.56 H new ATOM 837 N LYS A 54 14.308 29.851 8.717 1.00 0.60 N ATOM 838 CA LYS A 54 13.497 28.633 8.379 1.00 0.79 C ATOM 839 C LYS A 54 13.611 28.231 6.908 1.00 0.61 C ATOM 840 O LYS A 54 13.770 27.070 6.572 1.00 0.50 O ATOM 841 CB LYS A 54 12.016 28.911 8.743 1.00 1.26 C ATOM 842 CG LYS A 54 11.703 28.525 10.197 1.00 3.08 C ATOM 843 CD LYS A 54 12.518 29.387 11.206 1.00 5.74 C ATOM 844 CE LYS A 54 12.035 29.064 12.614 1.00 7.73 C ATOM 845 NZ LYS A 54 10.650 29.616 12.660 1.00 8.89 N ATOM 0 H LYS A 54 13.802 30.574 9.228 1.00 0.60 H new ATOM 0 HA LYS A 54 13.889 27.796 8.957 1.00 0.79 H new ATOM 0 HB2 LYS A 54 11.797 29.968 8.593 1.00 1.26 H new ATOM 0 HB3 LYS A 54 11.365 28.352 8.071 1.00 1.26 H new ATOM 0 HG2 LYS A 54 10.637 28.652 10.387 1.00 3.08 H new ATOM 0 HG3 LYS A 54 11.931 27.470 10.351 1.00 3.08 H new ATOM 0 HD2 LYS A 54 13.583 29.175 11.112 1.00 5.74 H new ATOM 0 HD3 LYS A 54 12.384 30.448 10.993 1.00 5.74 H new ATOM 0 HE2 LYS A 54 12.042 27.990 12.801 1.00 7.73 H new ATOM 0 HE3 LYS A 54 12.672 29.524 13.369 1.00 7.73 H new ATOM 0 HZ1 LYS A 54 10.484 30.062 13.585 1.00 8.89 H new ATOM 0 HZ2 LYS A 54 10.534 30.325 11.908 1.00 8.89 H new ATOM 0 HZ3 LYS A 54 9.965 28.847 12.519 1.00 8.89 H new ATOM 859 N TRP A 55 13.537 29.195 6.035 1.00 0.69 N ATOM 860 CA TRP A 55 13.642 28.847 4.608 1.00 0.76 C ATOM 861 C TRP A 55 15.004 28.336 4.260 1.00 0.55 C ATOM 862 O TRP A 55 15.128 27.216 3.834 1.00 0.52 O ATOM 863 CB TRP A 55 13.376 30.045 3.726 1.00 0.93 C ATOM 864 CG TRP A 55 13.196 29.453 2.313 1.00 1.04 C ATOM 865 CD1 TRP A 55 12.030 28.961 1.828 1.00 1.28 C ATOM 866 CD2 TRP A 55 14.150 29.324 1.368 1.00 1.00 C ATOM 867 NE1 TRP A 55 12.362 28.566 0.605 1.00 1.29 N ATOM 868 CE2 TRP A 55 13.603 28.741 0.238 1.00 1.14 C ATOM 869 CE3 TRP A 55 15.492 29.644 1.366 1.00 0.99 C ATOM 870 CZ2 TRP A 55 14.354 28.484 -0.891 1.00 1.15 C ATOM 871 CZ3 TRP A 55 16.262 29.383 0.243 1.00 1.12 C ATOM 872 CH2 TRP A 55 15.697 28.806 -0.894 1.00 1.17 C ATOM 0 H TRP A 55 13.411 30.185 6.248 1.00 0.69 H new ATOM 0 HA TRP A 55 12.895 28.072 4.436 1.00 0.76 H new ATOM 0 HB2 TRP A 55 12.485 30.584 4.047 1.00 0.93 H new ATOM 0 HB3 TRP A 55 14.205 30.752 3.757 1.00 0.93 H new ATOM 0 HD1 TRP A 55 11.068 28.904 2.316 1.00 1.28 H new ATOM 0 HE1 TRP A 55 11.677 28.144 -0.022 1.00 1.29 H new ATOM 0 HE3 TRP A 55 15.942 30.097 2.237 1.00 0.99 H new ATOM 0 HZ2 TRP A 55 13.897 28.037 -1.761 1.00 1.15 H new ATOM 0 HZ3 TRP A 55 17.313 29.630 0.249 1.00 1.12 H new ATOM 0 HH2 TRP A 55 16.303 28.613 -1.767 1.00 1.17 H new ATOM 883 N ASP A 56 15.973 29.159 4.459 1.00 0.47 N ATOM 884 CA ASP A 56 17.359 28.725 4.131 1.00 0.52 C ATOM 885 C ASP A 56 17.677 27.386 4.824 1.00 0.38 C ATOM 886 O ASP A 56 18.266 26.500 4.239 1.00 0.43 O ATOM 887 CB ASP A 56 18.231 29.889 4.542 1.00 0.64 C ATOM 888 CG ASP A 56 18.086 30.963 3.444 1.00 0.94 C ATOM 889 OD1 ASP A 56 17.161 31.747 3.541 1.00 2.83 O ATOM 890 OD2 ASP A 56 18.862 31.036 2.507 1.00 1.50 O ATOM 0 H ASP A 56 15.880 30.105 4.830 1.00 0.47 H new ATOM 0 HA ASP A 56 17.524 28.509 3.075 1.00 0.52 H new ATOM 0 HB2 ASP A 56 17.921 30.282 5.510 1.00 0.64 H new ATOM 0 HB3 ASP A 56 19.270 29.577 4.643 1.00 0.64 H new ATOM 895 N ALA A 57 17.246 27.289 6.051 1.00 0.26 N ATOM 896 CA ALA A 57 17.439 26.071 6.888 1.00 0.24 C ATOM 897 C ALA A 57 16.712 24.885 6.216 1.00 0.18 C ATOM 898 O ALA A 57 17.185 23.767 6.253 1.00 0.24 O ATOM 899 CB ALA A 57 16.860 26.330 8.266 1.00 0.27 C ATOM 0 H ALA A 57 16.745 28.039 6.528 1.00 0.26 H new ATOM 0 HA ALA A 57 18.498 25.833 6.983 1.00 0.24 H new ATOM 0 HB1 ALA A 57 16.995 25.446 8.889 1.00 0.27 H new ATOM 0 HB2 ALA A 57 17.372 27.177 8.722 1.00 0.27 H new ATOM 0 HB3 ALA A 57 15.797 26.553 8.178 1.00 0.27 H new ATOM 905 N TRP A 58 15.562 25.124 5.625 1.00 0.24 N ATOM 906 CA TRP A 58 14.866 23.997 4.956 1.00 0.38 C ATOM 907 C TRP A 58 15.596 23.877 3.627 1.00 0.56 C ATOM 908 O TRP A 58 16.136 22.821 3.419 1.00 0.48 O ATOM 909 CB TRP A 58 13.421 24.340 4.747 1.00 0.56 C ATOM 910 CG TRP A 58 12.827 23.313 3.748 1.00 0.51 C ATOM 911 CD1 TRP A 58 13.324 22.068 3.381 1.00 0.46 C ATOM 912 CD2 TRP A 58 11.713 23.566 3.033 1.00 0.48 C ATOM 913 NE1 TRP A 58 12.449 21.693 2.463 1.00 0.46 N ATOM 914 CE2 TRP A 58 11.460 22.509 2.183 1.00 0.46 C ATOM 915 CE3 TRP A 58 10.851 24.656 3.042 1.00 0.50 C ATOM 916 CZ2 TRP A 58 10.372 22.518 1.327 1.00 0.45 C ATOM 917 CZ3 TRP A 58 9.750 24.680 2.192 1.00 0.44 C ATOM 918 CH2 TRP A 58 9.514 23.615 1.332 1.00 0.43 C ATOM 0 H TRP A 58 15.093 26.028 5.581 1.00 0.24 H new ATOM 0 HA TRP A 58 14.881 23.070 5.529 1.00 0.38 H new ATOM 0 HB2 TRP A 58 12.881 24.308 5.693 1.00 0.56 H new ATOM 0 HB3 TRP A 58 13.322 25.353 4.357 1.00 0.56 H new ATOM 0 HD1 TRP A 58 14.195 21.545 3.748 1.00 0.46 H new ATOM 0 HE1 TRP A 58 12.540 20.796 1.986 1.00 0.46 H new ATOM 0 HE3 TRP A 58 11.036 25.485 3.709 1.00 0.50 H new ATOM 0 HZ2 TRP A 58 10.191 21.685 0.664 1.00 0.45 H new ATOM 0 HZ3 TRP A 58 9.079 25.526 2.201 1.00 0.44 H new ATOM 0 HH2 TRP A 58 8.664 23.638 0.666 1.00 0.43 H new ATOM 929 N ASN A 59 15.595 24.873 2.769 1.00 0.84 N ATOM 930 CA ASN A 59 16.296 24.845 1.469 1.00 1.06 C ATOM 931 C ASN A 59 17.535 23.976 1.481 1.00 1.17 C ATOM 932 O ASN A 59 17.628 23.031 0.728 1.00 1.41 O ATOM 933 CB ASN A 59 16.600 26.308 1.160 1.00 1.15 C ATOM 934 CG ASN A 59 17.637 26.447 0.072 1.00 1.60 C ATOM 935 OD1 ASN A 59 17.555 25.881 -1.000 1.00 1.83 O ATOM 936 ND2 ASN A 59 18.650 27.203 0.331 1.00 1.87 N ATOM 0 H ASN A 59 15.103 25.749 2.942 1.00 0.84 H new ATOM 0 HA ASN A 59 15.681 24.388 0.693 1.00 1.06 H new ATOM 0 HB2 ASN A 59 15.683 26.813 0.855 1.00 1.15 H new ATOM 0 HB3 ASN A 59 16.953 26.805 2.064 1.00 1.15 H new ATOM 0 HD21 ASN A 59 19.385 27.327 -0.365 1.00 1.87 H new ATOM 0 HD22 ASN A 59 18.716 27.677 1.232 1.00 1.87 H new ATOM 943 N GLU A 60 18.460 24.299 2.342 1.00 1.08 N ATOM 944 CA GLU A 60 19.721 23.501 2.429 1.00 1.41 C ATOM 945 C GLU A 60 19.528 21.961 2.440 1.00 1.25 C ATOM 946 O GLU A 60 20.441 21.220 2.150 1.00 1.33 O ATOM 947 CB GLU A 60 20.462 24.031 3.693 1.00 1.54 C ATOM 948 CG GLU A 60 21.116 25.429 3.333 1.00 3.58 C ATOM 949 CD GLU A 60 22.288 25.254 2.337 1.00 5.30 C ATOM 950 OE1 GLU A 60 23.289 24.701 2.766 1.00 4.81 O ATOM 951 OE2 GLU A 60 22.092 25.686 1.211 1.00 7.36 O ATOM 0 H GLU A 60 18.399 25.083 2.992 1.00 1.08 H new ATOM 0 HA GLU A 60 20.309 23.642 1.522 1.00 1.41 H new ATOM 0 HB2 GLU A 60 19.766 24.140 4.524 1.00 1.54 H new ATOM 0 HB3 GLU A 60 21.228 23.323 4.010 1.00 1.54 H new ATOM 0 HG2 GLU A 60 20.362 26.087 2.901 1.00 3.58 H new ATOM 0 HG3 GLU A 60 21.476 25.911 4.242 1.00 3.58 H new ATOM 958 N LEU A 61 18.357 21.484 2.768 1.00 1.00 N ATOM 959 CA LEU A 61 18.070 20.021 2.806 1.00 0.77 C ATOM 960 C LEU A 61 17.808 19.439 1.407 1.00 0.66 C ATOM 961 O LEU A 61 17.711 18.238 1.262 1.00 0.48 O ATOM 962 CB LEU A 61 16.857 19.796 3.748 1.00 0.87 C ATOM 963 CG LEU A 61 17.196 20.292 5.190 1.00 0.80 C ATOM 964 CD1 LEU A 61 16.008 20.020 6.101 1.00 0.72 C ATOM 965 CD2 LEU A 61 18.406 19.532 5.777 1.00 0.81 C ATOM 0 H LEU A 61 17.561 22.070 3.020 1.00 1.00 H new ATOM 0 HA LEU A 61 18.946 19.494 3.185 1.00 0.77 H new ATOM 0 HB2 LEU A 61 15.987 20.330 3.367 1.00 0.87 H new ATOM 0 HB3 LEU A 61 16.596 18.738 3.771 1.00 0.87 H new ATOM 0 HG LEU A 61 17.427 21.356 5.130 1.00 0.80 H new ATOM 0 HD11 LEU A 61 16.237 20.364 7.110 1.00 0.72 H new ATOM 0 HD12 LEU A 61 15.133 20.551 5.726 1.00 0.72 H new ATOM 0 HD13 LEU A 61 15.802 18.950 6.120 1.00 0.72 H new ATOM 0 HD21 LEU A 61 18.615 19.901 6.781 1.00 0.81 H new ATOM 0 HD22 LEU A 61 18.180 18.467 5.822 1.00 0.81 H new ATOM 0 HD23 LEU A 61 19.278 19.691 5.143 1.00 0.81 H new ATOM 977 N LYS A 62 17.698 20.274 0.406 1.00 0.89 N ATOM 978 CA LYS A 62 17.458 19.817 -0.999 1.00 1.08 C ATOM 979 C LYS A 62 18.535 18.732 -1.258 1.00 1.34 C ATOM 980 O LYS A 62 19.722 19.000 -1.325 1.00 3.40 O ATOM 981 CB LYS A 62 17.587 21.102 -1.863 1.00 0.98 C ATOM 982 CG LYS A 62 16.944 20.879 -3.237 1.00 1.14 C ATOM 983 CD LYS A 62 16.908 22.188 -4.076 1.00 1.74 C ATOM 984 CE LYS A 62 18.243 22.911 -4.096 1.00 2.64 C ATOM 985 NZ LYS A 62 19.254 21.927 -4.572 1.00 0.64 N ATOM 0 H LYS A 62 17.767 21.287 0.507 1.00 0.89 H new ATOM 0 HA LYS A 62 16.489 19.370 -1.222 1.00 1.08 H new ATOM 0 HB2 LYS A 62 17.104 21.939 -1.358 1.00 0.98 H new ATOM 0 HB3 LYS A 62 18.638 21.365 -1.983 1.00 0.98 H new ATOM 0 HG2 LYS A 62 17.501 20.115 -3.779 1.00 1.14 H new ATOM 0 HG3 LYS A 62 15.929 20.502 -3.107 1.00 1.14 H new ATOM 0 HD2 LYS A 62 16.613 21.951 -5.098 1.00 1.74 H new ATOM 0 HD3 LYS A 62 16.146 22.853 -3.670 1.00 1.74 H new ATOM 0 HE2 LYS A 62 18.204 23.777 -4.757 1.00 2.64 H new ATOM 0 HE3 LYS A 62 18.499 23.279 -3.103 1.00 2.64 H new ATOM 0 HZ1 LYS A 62 19.950 22.409 -5.176 1.00 0.64 H new ATOM 0 HZ2 LYS A 62 19.738 21.504 -3.755 1.00 0.64 H new ATOM 0 HZ3 LYS A 62 18.780 21.180 -5.118 1.00 0.64 H new ATOM 999 N GLY A 63 18.072 17.525 -1.423 1.00 1.09 N ATOM 1000 CA GLY A 63 18.968 16.342 -1.655 1.00 0.95 C ATOM 1001 C GLY A 63 18.758 15.261 -0.590 1.00 0.76 C ATOM 1002 O GLY A 63 19.180 14.139 -0.787 1.00 0.97 O ATOM 0 H GLY A 63 17.078 17.296 -1.407 1.00 1.09 H new ATOM 0 HA2 GLY A 63 18.772 15.924 -2.643 1.00 0.95 H new ATOM 0 HA3 GLY A 63 20.009 16.665 -1.646 1.00 0.95 H new ATOM 1006 N THR A 64 18.132 15.614 0.503 1.00 0.50 N ATOM 1007 CA THR A 64 17.887 14.598 1.588 1.00 0.45 C ATOM 1008 C THR A 64 16.604 13.748 1.411 1.00 0.75 C ATOM 1009 O THR A 64 15.617 14.101 0.798 1.00 1.12 O ATOM 1010 CB THR A 64 17.837 15.351 2.950 1.00 0.49 C ATOM 1011 OG1 THR A 64 19.190 15.534 3.325 1.00 0.89 O ATOM 1012 CG2 THR A 64 17.317 14.515 4.116 1.00 0.38 C ATOM 0 H THR A 64 17.780 16.552 0.697 1.00 0.50 H new ATOM 0 HA THR A 64 18.707 13.882 1.541 1.00 0.45 H new ATOM 0 HB THR A 64 17.208 16.228 2.800 1.00 0.49 H new ATOM 0 HG1 THR A 64 19.231 16.008 4.182 1.00 0.89 H new ATOM 0 HG21 THR A 64 17.316 15.118 5.024 1.00 0.38 H new ATOM 0 HG22 THR A 64 16.302 14.182 3.901 1.00 0.38 H new ATOM 0 HG23 THR A 64 17.961 13.647 4.257 1.00 0.38 H new ATOM 1020 N SER A 65 16.672 12.589 2.017 1.00 0.71 N ATOM 1021 CA SER A 65 15.552 11.578 1.989 1.00 1.03 C ATOM 1022 C SER A 65 14.399 11.953 2.919 1.00 0.93 C ATOM 1023 O SER A 65 14.604 12.358 4.049 1.00 1.17 O ATOM 1024 CB SER A 65 16.142 10.180 2.397 1.00 1.36 C ATOM 1025 OG SER A 65 15.138 9.471 3.131 1.00 4.08 O ATOM 0 H SER A 65 17.486 12.285 2.552 1.00 0.71 H new ATOM 0 HA SER A 65 15.139 11.549 0.981 1.00 1.03 H new ATOM 0 HB2 SER A 65 16.434 9.617 1.511 1.00 1.36 H new ATOM 0 HB3 SER A 65 17.038 10.308 3.004 1.00 1.36 H new ATOM 0 HG SER A 65 14.874 8.669 2.633 1.00 4.08 H new ATOM 1031 N LYS A 66 13.196 11.794 2.422 1.00 0.91 N ATOM 1032 CA LYS A 66 12.015 12.142 3.262 1.00 0.82 C ATOM 1033 C LYS A 66 12.103 11.327 4.548 1.00 0.86 C ATOM 1034 O LYS A 66 11.863 11.844 5.616 1.00 0.86 O ATOM 1035 CB LYS A 66 10.724 11.825 2.459 1.00 0.69 C ATOM 1036 CG LYS A 66 10.711 12.832 1.299 1.00 2.07 C ATOM 1037 CD LYS A 66 9.391 12.771 0.505 1.00 2.27 C ATOM 1038 CE LYS A 66 9.623 13.496 -0.819 1.00 2.32 C ATOM 1039 NZ LYS A 66 10.453 12.592 -1.694 1.00 2.16 N ATOM 0 H LYS A 66 12.986 11.444 1.487 1.00 0.91 H new ATOM 0 HA LYS A 66 11.995 13.201 3.521 1.00 0.82 H new ATOM 0 HB2 LYS A 66 10.732 10.800 2.090 1.00 0.69 H new ATOM 0 HB3 LYS A 66 9.837 11.932 3.083 1.00 0.69 H new ATOM 0 HG2 LYS A 66 10.854 13.839 1.690 1.00 2.07 H new ATOM 0 HG3 LYS A 66 11.547 12.628 0.631 1.00 2.07 H new ATOM 0 HD2 LYS A 66 9.095 11.737 0.330 1.00 2.27 H new ATOM 0 HD3 LYS A 66 8.584 13.243 1.065 1.00 2.27 H new ATOM 0 HE2 LYS A 66 8.673 13.728 -1.300 1.00 2.32 H new ATOM 0 HE3 LYS A 66 10.135 14.443 -0.652 1.00 2.32 H new ATOM 0 HZ1 LYS A 66 10.222 12.768 -2.693 1.00 2.16 H new ATOM 0 HZ2 LYS A 66 11.462 12.784 -1.533 1.00 2.16 H new ATOM 0 HZ3 LYS A 66 10.248 11.599 -1.461 1.00 2.16 H new ATOM 1053 N GLU A 67 12.467 10.083 4.385 1.00 0.90 N ATOM 1054 CA GLU A 67 12.609 9.141 5.507 1.00 0.98 C ATOM 1055 C GLU A 67 13.733 9.658 6.449 1.00 0.72 C ATOM 1056 O GLU A 67 13.545 9.692 7.644 1.00 0.60 O ATOM 1057 CB GLU A 67 12.893 7.768 4.823 1.00 1.29 C ATOM 1058 CG GLU A 67 11.717 7.363 3.812 1.00 1.44 C ATOM 1059 CD GLU A 67 11.957 6.053 3.016 1.00 1.47 C ATOM 1060 OE1 GLU A 67 12.873 5.336 3.389 1.00 1.69 O ATOM 1061 OE2 GLU A 67 11.194 5.856 2.080 1.00 1.29 O ATOM 0 H GLU A 67 12.678 9.675 3.474 1.00 0.90 H new ATOM 0 HA GLU A 67 11.735 9.041 6.150 1.00 0.98 H new ATOM 0 HB2 GLU A 67 13.838 7.818 4.283 1.00 1.29 H new ATOM 0 HB3 GLU A 67 13.002 6.996 5.585 1.00 1.29 H new ATOM 0 HG2 GLU A 67 10.791 7.262 4.378 1.00 1.44 H new ATOM 0 HG3 GLU A 67 11.570 8.179 3.104 1.00 1.44 H new ATOM 1068 N ASP A 68 14.863 10.064 5.932 1.00 0.69 N ATOM 1069 CA ASP A 68 15.961 10.568 6.797 1.00 0.48 C ATOM 1070 C ASP A 68 15.475 11.779 7.568 1.00 0.31 C ATOM 1071 O ASP A 68 15.671 11.907 8.760 1.00 0.17 O ATOM 1072 CB ASP A 68 17.096 10.861 5.850 1.00 0.67 C ATOM 1073 CG ASP A 68 17.719 9.547 5.411 1.00 0.94 C ATOM 1074 OD1 ASP A 68 16.976 8.668 5.008 1.00 2.98 O ATOM 1075 OD2 ASP A 68 18.925 9.505 5.498 1.00 0.88 O ATOM 0 H ASP A 68 15.071 10.066 4.933 1.00 0.69 H new ATOM 0 HA ASP A 68 16.293 9.860 7.557 1.00 0.48 H new ATOM 0 HB2 ASP A 68 16.732 11.414 4.984 1.00 0.67 H new ATOM 0 HB3 ASP A 68 17.842 11.488 6.338 1.00 0.67 H new ATOM 1080 N ALA A 69 14.835 12.638 6.832 1.00 0.35 N ATOM 1081 CA ALA A 69 14.272 13.883 7.425 1.00 0.20 C ATOM 1082 C ALA A 69 13.313 13.367 8.531 1.00 0.16 C ATOM 1083 O ALA A 69 13.425 13.787 9.661 1.00 0.15 O ATOM 1084 CB ALA A 69 13.580 14.619 6.292 1.00 0.19 C ATOM 0 H ALA A 69 14.675 12.531 5.830 1.00 0.35 H new ATOM 0 HA ALA A 69 14.983 14.581 7.866 1.00 0.20 H new ATOM 0 HB1 ALA A 69 13.146 15.545 6.671 1.00 0.19 H new ATOM 0 HB2 ALA A 69 14.305 14.851 5.512 1.00 0.19 H new ATOM 0 HB3 ALA A 69 12.791 13.991 5.879 1.00 0.19 H new ATOM 1090 N MET A 70 12.400 12.483 8.205 1.00 0.31 N ATOM 1091 CA MET A 70 11.455 11.923 9.199 1.00 0.43 C ATOM 1092 C MET A 70 12.207 11.433 10.451 1.00 0.41 C ATOM 1093 O MET A 70 11.976 11.908 11.535 1.00 0.43 O ATOM 1094 CB MET A 70 10.710 10.774 8.510 1.00 0.67 C ATOM 1095 CG MET A 70 9.553 11.298 7.646 1.00 0.82 C ATOM 1096 SD MET A 70 8.296 10.128 7.072 1.00 1.39 S ATOM 1097 CE MET A 70 7.652 11.146 5.719 1.00 0.20 C ATOM 0 H MET A 70 12.275 12.121 7.260 1.00 0.31 H new ATOM 0 HA MET A 70 10.750 12.682 9.538 1.00 0.43 H new ATOM 0 HB2 MET A 70 11.404 10.209 7.888 1.00 0.67 H new ATOM 0 HB3 MET A 70 10.323 10.086 9.262 1.00 0.67 H new ATOM 0 HG2 MET A 70 9.044 12.078 8.213 1.00 0.82 H new ATOM 0 HG3 MET A 70 9.987 11.775 6.767 1.00 0.82 H new ATOM 0 HE1 MET A 70 6.848 10.612 5.212 1.00 0.20 H new ATOM 0 HE2 MET A 70 7.268 12.084 6.120 1.00 0.20 H new ATOM 0 HE3 MET A 70 8.452 11.356 5.009 1.00 0.20 H new ATOM 1107 N LYS A 71 13.092 10.505 10.233 1.00 0.42 N ATOM 1108 CA LYS A 71 13.925 9.900 11.306 1.00 0.36 C ATOM 1109 C LYS A 71 14.590 10.993 12.157 1.00 0.24 C ATOM 1110 O LYS A 71 14.326 11.113 13.332 1.00 0.27 O ATOM 1111 CB LYS A 71 14.995 9.015 10.647 1.00 0.36 C ATOM 1112 CG LYS A 71 14.350 7.886 9.836 1.00 0.59 C ATOM 1113 CD LYS A 71 13.812 6.770 10.769 1.00 2.72 C ATOM 1114 CE LYS A 71 13.217 5.651 9.925 1.00 4.66 C ATOM 1115 NZ LYS A 71 14.326 5.138 9.047 1.00 5.07 N ATOM 0 H LYS A 71 13.280 10.123 9.306 1.00 0.42 H new ATOM 0 HA LYS A 71 13.297 9.301 11.965 1.00 0.36 H new ATOM 0 HB2 LYS A 71 15.624 9.622 9.996 1.00 0.36 H new ATOM 0 HB3 LYS A 71 15.645 8.592 11.413 1.00 0.36 H new ATOM 0 HG2 LYS A 71 13.534 8.286 9.234 1.00 0.59 H new ATOM 0 HG3 LYS A 71 15.081 7.466 9.145 1.00 0.59 H new ATOM 0 HD2 LYS A 71 14.617 6.382 11.392 1.00 2.72 H new ATOM 0 HD3 LYS A 71 13.056 7.175 11.441 1.00 2.72 H new ATOM 0 HE2 LYS A 71 12.824 4.855 10.558 1.00 4.66 H new ATOM 0 HE3 LYS A 71 12.386 6.019 9.324 1.00 4.66 H new ATOM 0 HZ1 LYS A 71 14.145 4.143 8.805 1.00 5.07 H new ATOM 0 HZ2 LYS A 71 14.369 5.704 8.176 1.00 5.07 H new ATOM 0 HZ3 LYS A 71 15.232 5.212 9.553 1.00 5.07 H new ATOM 1129 N ALA A 72 15.420 11.778 11.525 1.00 0.16 N ATOM 1130 CA ALA A 72 16.144 12.876 12.213 1.00 0.09 C ATOM 1131 C ALA A 72 15.170 13.743 13.008 1.00 0.25 C ATOM 1132 O ALA A 72 15.378 14.061 14.163 1.00 0.43 O ATOM 1133 CB ALA A 72 16.862 13.657 11.112 1.00 0.13 C ATOM 0 H ALA A 72 15.630 11.698 10.530 1.00 0.16 H new ATOM 0 HA ALA A 72 16.865 12.504 12.941 1.00 0.09 H new ATOM 0 HB1 ALA A 72 17.417 14.484 11.555 1.00 0.13 H new ATOM 0 HB2 ALA A 72 17.553 12.996 10.588 1.00 0.13 H new ATOM 0 HB3 ALA A 72 16.129 14.049 10.407 1.00 0.13 H new ATOM 1139 N TYR A 73 14.099 14.073 12.349 1.00 0.19 N ATOM 1140 CA TYR A 73 13.049 14.920 12.965 1.00 0.32 C ATOM 1141 C TYR A 73 12.570 14.209 14.245 1.00 0.43 C ATOM 1142 O TYR A 73 12.649 14.750 15.328 1.00 0.50 O ATOM 1143 CB TYR A 73 11.996 15.039 11.887 1.00 0.31 C ATOM 1144 CG TYR A 73 10.841 15.916 12.275 1.00 0.33 C ATOM 1145 CD1 TYR A 73 9.757 15.410 12.956 1.00 0.37 C ATOM 1146 CD2 TYR A 73 10.879 17.237 11.926 1.00 0.30 C ATOM 1147 CE1 TYR A 73 8.721 16.241 13.275 1.00 0.37 C ATOM 1148 CE2 TYR A 73 9.841 18.060 12.248 1.00 0.30 C ATOM 1149 CZ TYR A 73 8.753 17.567 12.927 1.00 0.32 C ATOM 1150 OH TYR A 73 7.711 18.403 13.255 1.00 0.33 O ATOM 0 H TYR A 73 13.904 13.785 11.390 1.00 0.19 H new ATOM 0 HA TYR A 73 13.362 15.917 13.276 1.00 0.32 H new ATOM 0 HB2 TYR A 73 12.456 15.436 10.982 1.00 0.31 H new ATOM 0 HB3 TYR A 73 11.622 14.045 11.644 1.00 0.31 H new ATOM 0 HD1 TYR A 73 9.726 14.367 13.235 1.00 0.37 H new ATOM 0 HD2 TYR A 73 11.733 17.630 11.394 1.00 0.30 H new ATOM 0 HE1 TYR A 73 7.867 15.849 13.807 1.00 0.37 H new ATOM 0 HE2 TYR A 73 9.874 19.103 11.969 1.00 0.30 H new ATOM 0 HH TYR A 73 7.903 19.308 12.931 1.00 0.33 H new ATOM 1160 N ILE A 74 12.091 13.003 14.067 1.00 0.45 N ATOM 1161 CA ILE A 74 11.581 12.163 15.203 1.00 0.55 C ATOM 1162 C ILE A 74 12.629 12.101 16.328 1.00 0.46 C ATOM 1163 O ILE A 74 12.305 12.426 17.451 1.00 0.50 O ATOM 1164 CB ILE A 74 11.282 10.735 14.712 1.00 0.64 C ATOM 1165 CG1 ILE A 74 10.163 10.769 13.651 1.00 0.58 C ATOM 1166 CG2 ILE A 74 10.742 9.943 15.932 1.00 1.01 C ATOM 1167 CD1 ILE A 74 10.166 9.436 12.885 1.00 0.60 C ATOM 0 H ILE A 74 12.029 12.550 13.155 1.00 0.45 H new ATOM 0 HA ILE A 74 10.666 12.616 15.584 1.00 0.55 H new ATOM 0 HB ILE A 74 12.180 10.287 14.286 1.00 0.64 H new ATOM 0 HG12 ILE A 74 9.196 10.928 14.128 1.00 0.58 H new ATOM 0 HG13 ILE A 74 10.320 11.600 12.963 1.00 0.58 H new ATOM 0 HG21 ILE A 74 10.515 8.920 15.630 1.00 1.01 H new ATOM 0 HG22 ILE A 74 11.495 9.931 16.720 1.00 1.01 H new ATOM 0 HG23 ILE A 74 9.836 10.421 16.304 1.00 1.01 H new ATOM 0 HD11 ILE A 74 9.379 9.448 12.131 1.00 0.60 H new ATOM 0 HD12 ILE A 74 11.132 9.298 12.399 1.00 0.60 H new ATOM 0 HD13 ILE A 74 9.990 8.616 13.581 1.00 0.60 H new ATOM 1179 N ASP A 75 13.832 11.691 16.020 1.00 0.34 N ATOM 1180 CA ASP A 75 14.902 11.610 17.045 1.00 0.29 C ATOM 1181 C ASP A 75 15.045 12.977 17.746 1.00 0.33 C ATOM 1182 O ASP A 75 15.218 13.103 18.944 1.00 0.64 O ATOM 1183 CB ASP A 75 16.135 11.176 16.279 1.00 0.18 C ATOM 1184 CG ASP A 75 16.083 9.670 16.035 1.00 0.36 C ATOM 1185 OD1 ASP A 75 15.241 9.260 15.258 1.00 1.77 O ATOM 1186 OD2 ASP A 75 16.904 9.024 16.656 1.00 2.38 O ATOM 0 H ASP A 75 14.118 11.405 15.084 1.00 0.34 H new ATOM 0 HA ASP A 75 14.701 10.902 17.849 1.00 0.29 H new ATOM 0 HB2 ASP A 75 16.190 11.707 15.329 1.00 0.18 H new ATOM 0 HB3 ASP A 75 17.033 11.433 16.840 1.00 0.18 H new ATOM 1191 N LYS A 76 14.950 14.010 16.959 1.00 0.26 N ATOM 1192 CA LYS A 76 15.072 15.361 17.566 1.00 0.24 C ATOM 1193 C LYS A 76 13.821 15.518 18.457 1.00 0.24 C ATOM 1194 O LYS A 76 13.949 16.033 19.554 1.00 0.22 O ATOM 1195 CB LYS A 76 15.124 16.418 16.447 1.00 0.42 C ATOM 1196 CG LYS A 76 16.479 17.176 16.550 1.00 0.40 C ATOM 1197 CD LYS A 76 16.643 18.013 17.855 1.00 0.43 C ATOM 1198 CE LYS A 76 18.098 18.490 17.906 1.00 0.59 C ATOM 1199 NZ LYS A 76 18.298 19.311 19.129 1.00 2.94 N ATOM 0 H LYS A 76 14.798 13.981 15.951 1.00 0.26 H new ATOM 0 HA LYS A 76 15.980 15.489 18.156 1.00 0.24 H new ATOM 0 HB2 LYS A 76 15.029 15.942 15.471 1.00 0.42 H new ATOM 0 HB3 LYS A 76 14.291 17.115 16.544 1.00 0.42 H new ATOM 0 HG2 LYS A 76 17.293 16.453 16.490 1.00 0.40 H new ATOM 0 HG3 LYS A 76 16.578 17.839 15.691 1.00 0.40 H new ATOM 0 HD2 LYS A 76 15.959 18.862 17.856 1.00 0.43 H new ATOM 0 HD3 LYS A 76 16.405 17.410 18.731 1.00 0.43 H new ATOM 0 HE2 LYS A 76 18.774 17.635 17.912 1.00 0.59 H new ATOM 0 HE3 LYS A 76 18.333 19.076 17.017 1.00 0.59 H new ATOM 0 HZ1 LYS A 76 18.697 20.234 18.866 1.00 2.94 H new ATOM 0 HZ2 LYS A 76 17.384 19.452 19.606 1.00 2.94 H new ATOM 0 HZ3 LYS A 76 18.952 18.822 19.772 1.00 2.94 H new ATOM 1213 N VAL A 77 12.645 15.096 18.041 1.00 0.40 N ATOM 1214 CA VAL A 77 11.481 15.273 18.965 1.00 0.62 C ATOM 1215 C VAL A 77 11.865 14.485 20.239 1.00 0.73 C ATOM 1216 O VAL A 77 11.705 14.999 21.323 1.00 0.88 O ATOM 1217 CB VAL A 77 10.208 14.731 18.271 1.00 0.88 C ATOM 1218 CG1 VAL A 77 9.062 14.833 19.296 1.00 1.01 C ATOM 1219 CG2 VAL A 77 9.897 15.690 17.071 1.00 0.89 C ATOM 0 H VAL A 77 12.448 14.656 17.142 1.00 0.40 H new ATOM 0 HA VAL A 77 11.265 16.310 19.222 1.00 0.62 H new ATOM 0 HB VAL A 77 10.328 13.705 17.924 1.00 0.88 H new ATOM 0 HG11 VAL A 77 8.140 14.461 18.849 1.00 1.01 H new ATOM 0 HG12 VAL A 77 9.306 14.237 20.175 1.00 1.01 H new ATOM 0 HG13 VAL A 77 8.928 15.874 19.590 1.00 1.01 H new ATOM 0 HG21 VAL A 77 9.004 15.344 16.551 1.00 0.89 H new ATOM 0 HG22 VAL A 77 9.731 16.700 17.446 1.00 0.89 H new ATOM 0 HG23 VAL A 77 10.740 15.694 16.380 1.00 0.89 H new ATOM 1229 N GLU A 78 12.337 13.272 20.091 1.00 0.76 N ATOM 1230 CA GLU A 78 12.769 12.436 21.268 1.00 1.07 C ATOM 1231 C GLU A 78 13.582 13.372 22.196 1.00 0.86 C ATOM 1232 O GLU A 78 13.255 13.485 23.369 1.00 0.86 O ATOM 1233 CB GLU A 78 13.628 11.237 20.738 1.00 1.39 C ATOM 1234 CG GLU A 78 12.724 9.978 20.505 1.00 1.49 C ATOM 1235 CD GLU A 78 12.471 9.351 21.855 1.00 0.48 C ATOM 1236 OE1 GLU A 78 11.506 9.754 22.488 1.00 1.94 O ATOM 1237 OE2 GLU A 78 13.250 8.502 22.257 1.00 2.19 O ATOM 0 H GLU A 78 12.445 12.812 19.187 1.00 0.76 H new ATOM 0 HA GLU A 78 11.930 12.016 21.823 1.00 1.07 H new ATOM 0 HB2 GLU A 78 14.119 11.517 19.806 1.00 1.39 H new ATOM 0 HB3 GLU A 78 14.415 11.000 21.454 1.00 1.39 H new ATOM 0 HG2 GLU A 78 11.784 10.262 20.031 1.00 1.49 H new ATOM 0 HG3 GLU A 78 13.216 9.270 19.838 1.00 1.49 H new ATOM 1244 N GLU A 79 14.592 14.030 21.664 1.00 0.78 N ATOM 1245 CA GLU A 79 15.413 14.968 22.531 1.00 0.83 C ATOM 1246 C GLU A 79 14.437 15.958 23.210 1.00 0.62 C ATOM 1247 O GLU A 79 14.283 16.055 24.415 1.00 0.68 O ATOM 1248 CB GLU A 79 16.431 15.849 21.699 1.00 1.10 C ATOM 1249 CG GLU A 79 17.717 15.094 21.222 1.00 1.68 C ATOM 1250 CD GLU A 79 18.730 16.002 20.494 1.00 2.02 C ATOM 1251 OE1 GLU A 79 18.720 17.205 20.702 1.00 2.35 O ATOM 1252 OE2 GLU A 79 19.503 15.443 19.745 1.00 2.22 O ATOM 0 H GLU A 79 14.885 13.966 20.689 1.00 0.78 H new ATOM 0 HA GLU A 79 15.976 14.351 23.232 1.00 0.83 H new ATOM 0 HB2 GLU A 79 15.915 16.247 20.825 1.00 1.10 H new ATOM 0 HB3 GLU A 79 16.732 16.702 22.307 1.00 1.10 H new ATOM 0 HG2 GLU A 79 18.203 14.640 22.085 1.00 1.68 H new ATOM 0 HG3 GLU A 79 17.426 14.281 20.556 1.00 1.68 H new ATOM 1259 N LEU A 80 13.780 16.699 22.364 1.00 0.41 N ATOM 1260 CA LEU A 80 12.793 17.720 22.829 1.00 0.27 C ATOM 1261 C LEU A 80 11.772 17.289 23.832 1.00 0.25 C ATOM 1262 O LEU A 80 11.436 18.037 24.719 1.00 0.65 O ATOM 1263 CB LEU A 80 12.063 18.275 21.620 1.00 0.15 C ATOM 1264 CG LEU A 80 13.029 18.992 20.678 1.00 0.43 C ATOM 1265 CD1 LEU A 80 12.187 19.662 19.616 1.00 0.53 C ATOM 1266 CD2 LEU A 80 13.819 20.073 21.428 1.00 0.56 C ATOM 0 H LEU A 80 13.885 16.641 21.351 1.00 0.41 H new ATOM 0 HA LEU A 80 13.402 18.453 23.358 1.00 0.27 H new ATOM 0 HB2 LEU A 80 11.565 17.464 21.088 1.00 0.15 H new ATOM 0 HB3 LEU A 80 11.286 18.967 21.946 1.00 0.15 H new ATOM 0 HG LEU A 80 13.737 18.280 20.255 1.00 0.43 H new ATOM 0 HD11 LEU A 80 12.836 20.189 18.917 1.00 0.53 H new ATOM 0 HD12 LEU A 80 11.611 18.908 19.079 1.00 0.53 H new ATOM 0 HD13 LEU A 80 11.506 20.372 20.086 1.00 0.53 H new ATOM 0 HD21 LEU A 80 14.500 20.570 20.738 1.00 0.56 H new ATOM 0 HD22 LEU A 80 13.128 20.805 21.846 1.00 0.56 H new ATOM 0 HD23 LEU A 80 14.391 19.613 22.234 1.00 0.56 H new ATOM 1278 N LYS A 81 11.307 16.098 23.722 1.00 0.34 N ATOM 1279 CA LYS A 81 10.281 15.616 24.673 1.00 0.23 C ATOM 1280 C LYS A 81 11.038 15.302 25.959 1.00 0.23 C ATOM 1281 O LYS A 81 10.580 15.719 27.000 1.00 0.20 O ATOM 1282 CB LYS A 81 9.620 14.456 23.920 1.00 0.26 C ATOM 1283 CG LYS A 81 8.488 13.789 24.730 1.00 0.08 C ATOM 1284 CD LYS A 81 7.353 13.256 23.780 1.00 0.27 C ATOM 1285 CE LYS A 81 7.920 12.509 22.548 1.00 0.57 C ATOM 1286 NZ LYS A 81 6.810 11.764 21.889 1.00 0.45 N ATOM 0 H LYS A 81 11.591 15.425 23.010 1.00 0.34 H new ATOM 0 HA LYS A 81 9.480 16.289 24.980 1.00 0.23 H new ATOM 0 HB2 LYS A 81 9.218 14.823 22.976 1.00 0.26 H new ATOM 0 HB3 LYS A 81 10.375 13.709 23.676 1.00 0.26 H new ATOM 0 HG2 LYS A 81 8.893 12.964 25.317 1.00 0.08 H new ATOM 0 HG3 LYS A 81 8.069 14.507 25.436 1.00 0.08 H new ATOM 0 HD2 LYS A 81 6.699 12.586 24.339 1.00 0.27 H new ATOM 0 HD3 LYS A 81 6.740 14.093 23.444 1.00 0.27 H new ATOM 0 HE2 LYS A 81 8.367 13.217 21.850 1.00 0.57 H new ATOM 0 HE3 LYS A 81 8.708 11.821 22.853 1.00 0.57 H new ATOM 0 HZ1 LYS A 81 7.170 11.284 21.039 1.00 0.45 H new ATOM 0 HZ2 LYS A 81 6.426 11.058 22.549 1.00 0.45 H new ATOM 0 HZ3 LYS A 81 6.058 12.429 21.618 1.00 0.45 H new ATOM 1300 N LYS A 82 12.156 14.622 25.905 1.00 0.34 N ATOM 1301 CA LYS A 82 12.881 14.345 27.188 1.00 0.43 C ATOM 1302 C LYS A 82 13.328 15.690 27.822 1.00 0.38 C ATOM 1303 O LYS A 82 13.421 15.833 29.020 1.00 0.52 O ATOM 1304 CB LYS A 82 14.111 13.471 26.897 1.00 0.58 C ATOM 1305 CG LYS A 82 13.730 11.986 27.016 1.00 0.58 C ATOM 1306 CD LYS A 82 13.402 11.326 25.659 1.00 0.67 C ATOM 1307 CE LYS A 82 13.307 9.818 25.906 1.00 1.05 C ATOM 1308 NZ LYS A 82 12.915 9.147 24.636 1.00 1.22 N ATOM 0 H LYS A 82 12.590 14.255 25.058 1.00 0.34 H new ATOM 0 HA LYS A 82 12.223 13.820 27.881 1.00 0.43 H new ATOM 0 HB2 LYS A 82 14.490 13.680 25.897 1.00 0.58 H new ATOM 0 HB3 LYS A 82 14.912 13.708 27.597 1.00 0.58 H new ATOM 0 HG2 LYS A 82 14.551 11.445 27.486 1.00 0.58 H new ATOM 0 HG3 LYS A 82 12.867 11.892 27.675 1.00 0.58 H new ATOM 0 HD2 LYS A 82 12.464 11.711 25.260 1.00 0.67 H new ATOM 0 HD3 LYS A 82 14.176 11.549 24.925 1.00 0.67 H new ATOM 0 HE2 LYS A 82 14.264 9.432 26.257 1.00 1.05 H new ATOM 0 HE3 LYS A 82 12.574 9.609 26.685 1.00 1.05 H new ATOM 0 HZ1 LYS A 82 12.699 8.147 24.824 1.00 1.22 H new ATOM 0 HZ2 LYS A 82 12.074 9.615 24.241 1.00 1.22 H new ATOM 0 HZ3 LYS A 82 13.698 9.210 23.954 1.00 1.22 H new ATOM 1322 N LYS A 83 13.598 16.630 26.960 1.00 0.51 N ATOM 1323 CA LYS A 83 14.048 18.022 27.321 1.00 0.61 C ATOM 1324 C LYS A 83 12.989 18.949 27.898 1.00 0.69 C ATOM 1325 O LYS A 83 13.180 19.625 28.884 1.00 0.93 O ATOM 1326 CB LYS A 83 14.605 18.653 26.059 1.00 0.51 C ATOM 1327 CG LYS A 83 15.295 20.033 26.291 1.00 0.62 C ATOM 1328 CD LYS A 83 16.244 20.281 25.082 1.00 0.62 C ATOM 1329 CE LYS A 83 17.653 19.659 25.255 1.00 2.26 C ATOM 1330 NZ LYS A 83 17.617 18.531 26.242 1.00 4.72 N ATOM 0 H LYS A 83 13.522 16.486 25.953 1.00 0.51 H new ATOM 0 HA LYS A 83 14.776 17.904 28.124 1.00 0.61 H new ATOM 0 HB2 LYS A 83 15.325 17.969 25.610 1.00 0.51 H new ATOM 0 HB3 LYS A 83 13.795 18.779 25.340 1.00 0.51 H new ATOM 0 HG2 LYS A 83 14.552 20.827 26.366 1.00 0.62 H new ATOM 0 HG3 LYS A 83 15.855 20.031 27.226 1.00 0.62 H new ATOM 0 HD2 LYS A 83 15.785 19.872 24.182 1.00 0.62 H new ATOM 0 HD3 LYS A 83 16.348 21.355 24.928 1.00 0.62 H new ATOM 0 HE2 LYS A 83 18.016 19.296 24.294 1.00 2.26 H new ATOM 0 HE3 LYS A 83 18.354 20.422 25.593 1.00 2.26 H new ATOM 0 HZ1 LYS A 83 18.589 18.262 26.498 1.00 4.72 H new ATOM 0 HZ2 LYS A 83 17.105 18.833 27.096 1.00 4.72 H new ATOM 0 HZ3 LYS A 83 17.132 17.714 25.818 1.00 4.72 H new ATOM 1344 N TYR A 84 11.899 18.937 27.213 1.00 0.57 N ATOM 1345 CA TYR A 84 10.707 19.777 27.573 1.00 0.75 C ATOM 1346 C TYR A 84 9.477 19.128 28.280 1.00 1.37 C ATOM 1347 O TYR A 84 8.817 19.836 29.021 1.00 2.30 O ATOM 1348 CB TYR A 84 10.270 20.461 26.259 1.00 0.64 C ATOM 1349 CG TYR A 84 11.307 21.518 25.844 1.00 0.48 C ATOM 1350 CD1 TYR A 84 11.428 22.670 26.595 1.00 2.81 C ATOM 1351 CD2 TYR A 84 12.120 21.354 24.735 1.00 1.86 C ATOM 1352 CE1 TYR A 84 12.335 23.643 26.246 1.00 3.23 C ATOM 1353 CE2 TYR A 84 13.037 22.338 24.388 1.00 1.51 C ATOM 1354 CZ TYR A 84 13.139 23.483 25.147 1.00 1.33 C ATOM 1355 OH TYR A 84 14.021 24.487 24.816 1.00 1.85 O ATOM 0 H TYR A 84 11.764 18.361 26.382 1.00 0.57 H new ATOM 0 HA TYR A 84 11.053 20.440 28.366 1.00 0.75 H new ATOM 0 HB2 TYR A 84 10.163 19.716 25.470 1.00 0.64 H new ATOM 0 HB3 TYR A 84 9.294 20.929 26.390 1.00 0.64 H new ATOM 0 HD1 TYR A 84 10.804 22.809 27.466 1.00 2.81 H new ATOM 0 HD2 TYR A 84 12.041 20.458 24.138 1.00 1.86 H new ATOM 0 HE1 TYR A 84 12.415 24.540 26.842 1.00 3.23 H new ATOM 0 HE2 TYR A 84 13.670 22.205 23.523 1.00 1.51 H new ATOM 0 HH TYR A 84 14.523 24.230 24.015 1.00 1.85 H new