USER MOD reduce.3.24.130724 H: found=0, std=0, add=532, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 532 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 40 GLN : amide:sc= -0.388 X(o=-0.39,f=-0.39) USER MOD Set 1.2: A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0.0944 USER MOD Single : A 32 SER OG : rot -49:sc= 0.165 USER MOD Single : A 35 SER OG : rot 25:sc= 0.0949 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 165:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HD1:sc= -0.15 X(o=-0.15,f=-0.26) USER MOD Single : A 59 SER OG : rot 180:sc=-0.00254 USER MOD Single : A 64 LYS NZ :NH3+ 179:sc= 0.0287 (180deg=0.0286) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -7.033 -8.133 -12.992 1.00 0.00 N ATOM 2 CA ALA A 1 -6.391 -9.111 -12.079 1.00 0.00 C ATOM 3 C ALA A 1 -6.663 -8.747 -10.614 1.00 0.00 C ATOM 4 O ALA A 1 -6.376 -7.625 -10.190 1.00 0.00 O ATOM 5 CB ALA A 1 -4.878 -9.228 -12.355 1.00 0.00 C ATOM 0 H1 ALA A 1 -6.836 -8.398 -13.978 1.00 0.00 H new ATOM 0 H2 ALA A 1 -8.061 -8.132 -12.832 1.00 0.00 H new ATOM 0 H3 ALA A 1 -6.652 -7.183 -12.806 1.00 0.00 H new ATOM 0 HA ALA A 1 -6.833 -10.089 -12.271 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -4.438 -9.952 -11.669 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -4.720 -9.558 -13.382 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -4.405 -8.257 -12.209 1.00 0.00 H new ATOM 13 N GLY A 2 -7.220 -9.683 -9.832 1.00 0.00 N ATOM 14 CA GLY A 2 -7.524 -9.476 -8.407 1.00 0.00 C ATOM 15 C GLY A 2 -8.276 -10.636 -7.744 1.00 0.00 C ATOM 16 O GLY A 2 -9.436 -10.474 -7.362 1.00 0.00 O ATOM 0 H GLY A 2 -7.474 -10.611 -10.172 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -6.590 -9.310 -7.869 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -8.118 -8.568 -8.303 1.00 0.00 H new ATOM 20 N HIS A 3 -7.623 -11.796 -7.592 1.00 0.00 N ATOM 21 CA HIS A 3 -8.164 -12.976 -6.881 1.00 0.00 C ATOM 22 C HIS A 3 -7.794 -13.040 -5.385 1.00 0.00 C ATOM 23 O HIS A 3 -8.526 -13.652 -4.606 1.00 0.00 O ATOM 24 CB HIS A 3 -7.720 -14.264 -7.596 1.00 0.00 C ATOM 25 CG HIS A 3 -8.459 -14.513 -8.888 1.00 0.00 C ATOM 26 ND1 HIS A 3 -7.933 -14.425 -10.166 1.00 0.00 N ATOM 27 CD2 HIS A 3 -9.764 -14.905 -8.987 1.00 0.00 C ATOM 28 CE1 HIS A 3 -8.915 -14.757 -11.031 1.00 0.00 C ATOM 29 NE2 HIS A 3 -10.037 -15.051 -10.337 1.00 0.00 N ATOM 0 H HIS A 3 -6.686 -11.950 -7.965 1.00 0.00 H new ATOM 0 HA HIS A 3 -9.249 -12.877 -6.911 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -6.651 -14.207 -7.802 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -7.872 -15.113 -6.929 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -10.451 -15.069 -8.170 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -8.819 -14.783 -12.106 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -10.931 -15.332 -10.739 1.00 0.00 H new ATOM 38 N MET A 4 -6.699 -12.393 -4.973 1.00 0.00 N ATOM 39 CA MET A 4 -6.224 -12.308 -3.582 1.00 0.00 C ATOM 40 C MET A 4 -6.158 -10.847 -3.104 1.00 0.00 C ATOM 41 O MET A 4 -5.110 -10.199 -3.160 1.00 0.00 O ATOM 42 CB MET A 4 -4.873 -13.041 -3.404 1.00 0.00 C ATOM 43 CG MET A 4 -5.022 -14.487 -2.912 1.00 0.00 C ATOM 44 SD MET A 4 -3.593 -15.046 -1.936 1.00 0.00 S ATOM 45 CE MET A 4 -4.325 -16.449 -1.050 1.00 0.00 C ATOM 0 H MET A 4 -6.093 -11.893 -5.623 1.00 0.00 H new ATOM 0 HA MET A 4 -6.949 -12.819 -2.948 1.00 0.00 H new ATOM 0 HB2 MET A 4 -4.341 -13.042 -4.355 1.00 0.00 H new ATOM 0 HB3 MET A 4 -4.258 -12.486 -2.696 1.00 0.00 H new ATOM 0 HG2 MET A 4 -5.925 -14.570 -2.307 1.00 0.00 H new ATOM 0 HG3 MET A 4 -5.152 -15.147 -3.770 1.00 0.00 H new ATOM 0 HE1 MET A 4 -3.574 -16.904 -0.405 1.00 0.00 H new ATOM 0 HE2 MET A 4 -5.161 -16.100 -0.444 1.00 0.00 H new ATOM 0 HE3 MET A 4 -4.681 -17.187 -1.769 1.00 0.00 H new ATOM 55 N LYS A 5 -7.301 -10.306 -2.664 1.00 0.00 N ATOM 56 CA LYS A 5 -7.391 -8.960 -2.074 1.00 0.00 C ATOM 57 C LYS A 5 -6.902 -9.009 -0.622 1.00 0.00 C ATOM 58 O LYS A 5 -7.534 -9.639 0.227 1.00 0.00 O ATOM 59 CB LYS A 5 -8.825 -8.399 -2.137 1.00 0.00 C ATOM 60 CG LYS A 5 -9.168 -7.746 -3.486 1.00 0.00 C ATOM 61 CD LYS A 5 -9.873 -8.681 -4.474 1.00 0.00 C ATOM 62 CE LYS A 5 -10.185 -7.888 -5.754 1.00 0.00 C ATOM 63 NZ LYS A 5 -11.508 -8.240 -6.333 1.00 0.00 N ATOM 0 H LYS A 5 -8.197 -10.792 -2.707 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.758 -8.290 -2.656 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -9.531 -9.206 -1.943 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -8.955 -7.664 -1.343 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -9.804 -6.879 -3.306 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.249 -7.378 -3.943 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -9.239 -9.538 -4.704 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -10.792 -9.072 -4.037 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.162 -6.821 -5.531 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -9.407 -8.077 -6.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -11.671 -7.679 -7.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -11.524 -9.252 -6.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -12.256 -8.036 -5.640 1.00 0.00 H new ATOM 77 N GLU A 6 -5.774 -8.358 -0.344 1.00 0.00 N ATOM 78 CA GLU A 6 -5.190 -8.238 1.001 1.00 0.00 C ATOM 79 C GLU A 6 -5.476 -6.857 1.605 1.00 0.00 C ATOM 80 O GLU A 6 -6.296 -6.732 2.518 1.00 0.00 O ATOM 81 CB GLU A 6 -3.680 -8.531 0.969 1.00 0.00 C ATOM 82 CG GLU A 6 -3.361 -9.987 0.591 1.00 0.00 C ATOM 83 CD GLU A 6 -2.342 -10.607 1.567 1.00 0.00 C ATOM 84 OE1 GLU A 6 -2.718 -10.900 2.729 1.00 0.00 O ATOM 85 OE2 GLU A 6 -1.165 -10.814 1.184 1.00 0.00 O ATOM 0 H GLU A 6 -5.224 -7.886 -1.061 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.662 -8.982 1.642 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -3.200 -7.862 0.255 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -3.252 -8.313 1.947 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -4.278 -10.576 0.596 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -2.965 -10.023 -0.424 1.00 0.00 H new ATOM 92 N PHE A 7 -4.814 -5.814 1.098 1.00 0.00 N ATOM 93 CA PHE A 7 -5.046 -4.427 1.496 1.00 0.00 C ATOM 94 C PHE A 7 -6.222 -3.790 0.739 1.00 0.00 C ATOM 95 O PHE A 7 -6.331 -3.902 -0.486 1.00 0.00 O ATOM 96 CB PHE A 7 -3.747 -3.623 1.322 1.00 0.00 C ATOM 97 CG PHE A 7 -2.831 -3.717 2.527 1.00 0.00 C ATOM 98 CD1 PHE A 7 -3.304 -3.304 3.788 1.00 0.00 C ATOM 99 CD2 PHE A 7 -1.518 -4.217 2.409 1.00 0.00 C ATOM 100 CE1 PHE A 7 -2.490 -3.423 4.924 1.00 0.00 C ATOM 101 CE2 PHE A 7 -0.705 -4.325 3.553 1.00 0.00 C ATOM 102 CZ PHE A 7 -1.190 -3.930 4.806 1.00 0.00 C ATOM 0 H PHE A 7 -4.089 -5.914 0.387 1.00 0.00 H new ATOM 0 HA PHE A 7 -5.332 -4.413 2.548 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -3.218 -3.983 0.440 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -3.994 -2.577 1.140 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -4.299 -2.894 3.881 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -1.137 -4.516 1.444 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -2.866 -3.123 5.891 1.00 0.00 H new ATOM 0 HE2 PHE A 7 0.298 -4.715 3.464 1.00 0.00 H new ATOM 0 HZ PHE A 7 -0.562 -4.016 5.680 1.00 0.00 H new ATOM 112 N ARG A 8 -7.101 -3.109 1.486 1.00 0.00 N ATOM 113 CA ARG A 8 -8.295 -2.401 0.990 1.00 0.00 C ATOM 114 C ARG A 8 -8.084 -0.884 0.878 1.00 0.00 C ATOM 115 O ARG A 8 -7.256 -0.335 1.605 1.00 0.00 O ATOM 116 CB ARG A 8 -9.483 -2.710 1.922 1.00 0.00 C ATOM 117 CG ARG A 8 -10.265 -3.922 1.403 1.00 0.00 C ATOM 118 CD ARG A 8 -11.554 -4.141 2.213 1.00 0.00 C ATOM 119 NE ARG A 8 -12.669 -4.584 1.353 1.00 0.00 N ATOM 120 CZ ARG A 8 -13.381 -3.841 0.521 1.00 0.00 C ATOM 121 NH1 ARG A 8 -13.180 -2.559 0.387 1.00 0.00 N ATOM 122 NH2 ARG A 8 -14.316 -4.376 -0.209 1.00 0.00 N ATOM 0 H ARG A 8 -6.997 -3.031 2.498 1.00 0.00 H new ATOM 0 HA ARG A 8 -8.500 -2.758 -0.019 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -9.121 -2.907 2.931 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -10.141 -1.843 1.983 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -10.514 -3.775 0.352 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -9.640 -4.813 1.461 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -11.375 -4.885 2.989 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -11.829 -3.215 2.717 1.00 0.00 H new ATOM 0 HE ARG A 8 -12.918 -5.572 1.406 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -12.454 -2.097 0.934 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -13.749 -2.019 -0.265 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -14.505 -5.376 -0.143 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -14.860 -3.795 -0.847 1.00 0.00 H new ATOM 136 N PRO A 9 -8.857 -0.181 0.029 1.00 0.00 N ATOM 137 CA PRO A 9 -8.768 1.271 -0.115 1.00 0.00 C ATOM 138 C PRO A 9 -9.278 1.986 1.146 1.00 0.00 C ATOM 139 O PRO A 9 -10.324 1.640 1.701 1.00 0.00 O ATOM 140 CB PRO A 9 -9.602 1.606 -1.353 1.00 0.00 C ATOM 141 CG PRO A 9 -10.656 0.500 -1.382 1.00 0.00 C ATOM 142 CD PRO A 9 -9.905 -0.713 -0.834 1.00 0.00 C ATOM 0 HA PRO A 9 -7.739 1.610 -0.236 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -10.058 2.593 -1.275 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -8.995 1.606 -2.258 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.520 0.751 -0.766 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -11.025 0.322 -2.392 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -10.575 -1.367 -0.276 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.480 -1.307 -1.643 1.00 0.00 H new ATOM 150 N GLY A 10 -8.509 2.962 1.629 1.00 0.00 N ATOM 151 CA GLY A 10 -8.803 3.755 2.825 1.00 0.00 C ATOM 152 C GLY A 10 -8.346 3.097 4.133 1.00 0.00 C ATOM 153 O GLY A 10 -8.443 3.722 5.189 1.00 0.00 O ATOM 0 H GLY A 10 -7.633 3.233 1.183 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -8.321 4.728 2.731 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -9.877 3.934 2.875 1.00 0.00 H new ATOM 157 N ASP A 11 -7.859 1.848 4.090 1.00 0.00 N ATOM 158 CA ASP A 11 -7.383 1.123 5.270 1.00 0.00 C ATOM 159 C ASP A 11 -6.193 1.859 5.905 1.00 0.00 C ATOM 160 O ASP A 11 -5.241 2.236 5.211 1.00 0.00 O ATOM 161 CB ASP A 11 -7.002 -0.320 4.901 1.00 0.00 C ATOM 162 CG ASP A 11 -7.259 -1.273 6.075 1.00 0.00 C ATOM 163 OD1 ASP A 11 -8.396 -1.790 6.191 1.00 0.00 O ATOM 164 OD2 ASP A 11 -6.336 -1.496 6.888 1.00 0.00 O ATOM 0 H ASP A 11 -7.785 1.311 3.226 1.00 0.00 H new ATOM 0 HA ASP A 11 -8.190 1.082 6.002 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -7.578 -0.642 4.034 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -5.950 -0.361 4.618 1.00 0.00 H new ATOM 169 N LYS A 12 -6.261 2.096 7.218 1.00 0.00 N ATOM 170 CA LYS A 12 -5.219 2.800 7.970 1.00 0.00 C ATOM 171 C LYS A 12 -3.990 1.896 8.113 1.00 0.00 C ATOM 172 O LYS A 12 -4.047 0.884 8.812 1.00 0.00 O ATOM 173 CB LYS A 12 -5.773 3.272 9.331 1.00 0.00 C ATOM 174 CG LYS A 12 -5.134 4.607 9.739 1.00 0.00 C ATOM 175 CD LYS A 12 -5.453 4.963 11.196 1.00 0.00 C ATOM 176 CE LYS A 12 -4.920 6.367 11.523 1.00 0.00 C ATOM 177 NZ LYS A 12 -4.188 6.401 12.817 1.00 0.00 N ATOM 0 H LYS A 12 -7.049 1.801 7.794 1.00 0.00 H new ATOM 0 HA LYS A 12 -4.906 3.694 7.430 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.856 3.384 9.270 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.573 2.519 10.093 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.054 4.550 9.606 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.494 5.399 9.083 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.530 4.926 11.360 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.003 4.229 11.865 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.257 6.698 10.723 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.752 7.071 11.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -3.846 7.367 12.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -4.827 6.111 13.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -3.378 5.750 12.775 1.00 0.00 H new ATOM 191 N VAL A 13 -2.890 2.232 7.442 1.00 0.00 N ATOM 192 CA VAL A 13 -1.645 1.442 7.435 1.00 0.00 C ATOM 193 C VAL A 13 -0.441 2.283 7.862 1.00 0.00 C ATOM 194 O VAL A 13 -0.479 3.511 7.811 1.00 0.00 O ATOM 195 CB VAL A 13 -1.416 0.761 6.065 1.00 0.00 C ATOM 196 CG1 VAL A 13 -2.531 -0.239 5.757 1.00 0.00 C ATOM 197 CG2 VAL A 13 -1.326 1.723 4.877 1.00 0.00 C ATOM 0 H VAL A 13 -2.831 3.077 6.874 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.757 0.649 8.174 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.448 0.271 6.173 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.346 -0.704 4.788 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.554 -1.008 6.530 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.489 0.280 5.733 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.165 1.155 3.961 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.254 2.288 4.795 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.494 2.411 5.028 1.00 0.00 H new ATOM 207 N VAL A 14 0.638 1.636 8.302 1.00 0.00 N ATOM 208 CA VAL A 14 1.917 2.280 8.653 1.00 0.00 C ATOM 209 C VAL A 14 2.901 2.126 7.501 1.00 0.00 C ATOM 210 O VAL A 14 3.091 1.026 6.984 1.00 0.00 O ATOM 211 CB VAL A 14 2.503 1.755 9.983 1.00 0.00 C ATOM 212 CG1 VAL A 14 2.533 0.230 10.091 1.00 0.00 C ATOM 213 CG2 VAL A 14 3.931 2.256 10.253 1.00 0.00 C ATOM 0 H VAL A 14 0.654 0.624 8.430 1.00 0.00 H new ATOM 0 HA VAL A 14 1.726 3.341 8.815 1.00 0.00 H new ATOM 0 HB VAL A 14 1.814 2.156 10.726 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.958 -0.058 11.053 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.519 -0.160 10.011 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.144 -0.180 9.287 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.285 1.852 11.201 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.590 1.927 9.450 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.932 3.345 10.300 1.00 0.00 H new ATOM 223 N LEU A 15 3.523 3.233 7.091 1.00 0.00 N ATOM 224 CA LEU A 15 4.571 3.256 6.073 1.00 0.00 C ATOM 225 C LEU A 15 5.602 4.357 6.394 1.00 0.00 C ATOM 226 O LEU A 15 5.310 5.535 6.184 1.00 0.00 O ATOM 227 CB LEU A 15 3.921 3.430 4.692 1.00 0.00 C ATOM 228 CG LEU A 15 4.889 3.344 3.495 1.00 0.00 C ATOM 229 CD1 LEU A 15 5.896 2.196 3.592 1.00 0.00 C ATOM 230 CD2 LEU A 15 4.107 3.122 2.202 1.00 0.00 C ATOM 0 H LEU A 15 3.307 4.157 7.466 1.00 0.00 H new ATOM 0 HA LEU A 15 5.119 2.314 6.066 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.151 2.668 4.572 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.419 4.397 4.664 1.00 0.00 H new ATOM 0 HG LEU A 15 5.431 4.289 3.503 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.541 2.203 2.713 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.503 2.319 4.489 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.362 1.247 3.643 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.800 3.063 1.363 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.543 2.192 2.273 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.419 3.953 2.046 1.00 0.00 H new ATOM 242 N PRO A 16 6.774 4.030 6.967 1.00 0.00 N ATOM 243 CA PRO A 16 7.814 5.022 7.251 1.00 0.00 C ATOM 244 C PRO A 16 8.479 5.573 5.965 1.00 0.00 C ATOM 245 O PRO A 16 8.396 4.937 4.909 1.00 0.00 O ATOM 246 CB PRO A 16 8.806 4.301 8.171 1.00 0.00 C ATOM 247 CG PRO A 16 8.650 2.827 7.802 1.00 0.00 C ATOM 248 CD PRO A 16 7.174 2.709 7.433 1.00 0.00 C ATOM 0 HA PRO A 16 7.402 5.912 7.727 1.00 0.00 H new ATOM 0 HB2 PRO A 16 9.826 4.647 8.007 1.00 0.00 H new ATOM 0 HB3 PRO A 16 8.575 4.476 9.222 1.00 0.00 H new ATOM 0 HG2 PRO A 16 9.296 2.551 6.968 1.00 0.00 H new ATOM 0 HG3 PRO A 16 8.909 2.174 8.636 1.00 0.00 H new ATOM 0 HD2 PRO A 16 7.024 1.959 6.657 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.579 2.401 8.293 1.00 0.00 H new ATOM 256 N PRO A 17 9.152 6.744 6.029 1.00 0.00 N ATOM 257 CA PRO A 17 9.342 7.589 7.217 1.00 0.00 C ATOM 258 C PRO A 17 8.097 8.405 7.625 1.00 0.00 C ATOM 259 O PRO A 17 8.080 8.983 8.712 1.00 0.00 O ATOM 260 CB PRO A 17 10.511 8.510 6.854 1.00 0.00 C ATOM 261 CG PRO A 17 10.347 8.699 5.347 1.00 0.00 C ATOM 262 CD PRO A 17 9.852 7.327 4.889 1.00 0.00 C ATOM 0 HA PRO A 17 9.535 6.967 8.091 1.00 0.00 H new ATOM 0 HB2 PRO A 17 10.457 9.459 7.388 1.00 0.00 H new ATOM 0 HB3 PRO A 17 11.472 8.059 7.102 1.00 0.00 H new ATOM 0 HG2 PRO A 17 9.631 9.487 5.113 1.00 0.00 H new ATOM 0 HG3 PRO A 17 11.288 8.971 4.868 1.00 0.00 H new ATOM 0 HD2 PRO A 17 9.187 7.420 4.030 1.00 0.00 H new ATOM 0 HD3 PRO A 17 10.685 6.696 4.580 1.00 0.00 H new ATOM 270 N TYR A 18 7.042 8.420 6.799 1.00 0.00 N ATOM 271 CA TYR A 18 5.763 9.098 7.071 1.00 0.00 C ATOM 272 C TYR A 18 5.098 8.601 8.370 1.00 0.00 C ATOM 273 O TYR A 18 4.586 9.391 9.164 1.00 0.00 O ATOM 274 CB TYR A 18 4.808 8.901 5.880 1.00 0.00 C ATOM 275 CG TYR A 18 5.439 9.059 4.506 1.00 0.00 C ATOM 276 CD1 TYR A 18 5.821 10.337 4.058 1.00 0.00 C ATOM 277 CD2 TYR A 18 5.638 7.934 3.677 1.00 0.00 C ATOM 278 CE1 TYR A 18 6.373 10.497 2.772 1.00 0.00 C ATOM 279 CE2 TYR A 18 6.185 8.089 2.387 1.00 0.00 C ATOM 280 CZ TYR A 18 6.543 9.378 1.929 1.00 0.00 C ATOM 281 OH TYR A 18 7.045 9.551 0.675 1.00 0.00 O ATOM 0 H TYR A 18 7.053 7.947 5.895 1.00 0.00 H new ATOM 0 HA TYR A 18 5.977 10.158 7.206 1.00 0.00 H new ATOM 0 HB2 TYR A 18 4.370 7.905 5.948 1.00 0.00 H new ATOM 0 HB3 TYR A 18 3.990 9.616 5.970 1.00 0.00 H new ATOM 0 HD1 TYR A 18 5.691 11.195 4.700 1.00 0.00 H new ATOM 0 HD2 TYR A 18 5.370 6.950 4.033 1.00 0.00 H new ATOM 0 HE1 TYR A 18 6.667 11.478 2.430 1.00 0.00 H new ATOM 0 HE2 TYR A 18 6.330 7.228 1.752 1.00 0.00 H new ATOM 0 HH TYR A 18 7.101 8.683 0.223 1.00 0.00 H new ATOM 291 N GLY A 19 5.114 7.281 8.583 1.00 0.00 N ATOM 292 CA GLY A 19 4.635 6.585 9.785 1.00 0.00 C ATOM 293 C GLY A 19 3.162 6.165 9.712 1.00 0.00 C ATOM 294 O GLY A 19 2.748 5.241 10.408 1.00 0.00 O ATOM 0 H GLY A 19 5.481 6.634 7.885 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.248 5.699 9.949 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.776 7.234 10.649 1.00 0.00 H new ATOM 298 N VAL A 20 2.364 6.825 8.870 1.00 0.00 N ATOM 299 CA VAL A 20 0.957 6.505 8.584 1.00 0.00 C ATOM 300 C VAL A 20 0.669 6.821 7.113 1.00 0.00 C ATOM 301 O VAL A 20 1.134 7.839 6.597 1.00 0.00 O ATOM 302 CB VAL A 20 -0.015 7.316 9.477 1.00 0.00 C ATOM 303 CG1 VAL A 20 -1.472 6.881 9.254 1.00 0.00 C ATOM 304 CG2 VAL A 20 0.272 7.174 10.978 1.00 0.00 C ATOM 0 H VAL A 20 2.692 7.634 8.343 1.00 0.00 H new ATOM 0 HA VAL A 20 0.800 5.447 8.795 1.00 0.00 H new ATOM 0 HB VAL A 20 0.139 8.354 9.181 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.129 7.469 9.895 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.744 7.042 8.211 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.577 5.824 9.498 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.446 7.768 11.544 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.185 6.127 11.268 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.281 7.526 11.190 1.00 0.00 H new ATOM 314 N GLY A 21 -0.118 5.979 6.448 1.00 0.00 N ATOM 315 CA GLY A 21 -0.598 6.150 5.076 1.00 0.00 C ATOM 316 C GLY A 21 -1.952 5.467 4.867 1.00 0.00 C ATOM 317 O GLY A 21 -2.411 4.701 5.720 1.00 0.00 O ATOM 0 H GLY A 21 -0.456 5.115 6.871 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -0.686 7.213 4.850 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.131 5.736 4.380 1.00 0.00 H new ATOM 321 N VAL A 22 -2.594 5.731 3.728 1.00 0.00 N ATOM 322 CA VAL A 22 -3.846 5.084 3.319 1.00 0.00 C ATOM 323 C VAL A 22 -3.738 4.595 1.879 1.00 0.00 C ATOM 324 O VAL A 22 -3.234 5.289 0.993 1.00 0.00 O ATOM 325 CB VAL A 22 -5.083 5.980 3.525 1.00 0.00 C ATOM 326 CG1 VAL A 22 -5.173 6.513 4.960 1.00 0.00 C ATOM 327 CG2 VAL A 22 -5.189 7.155 2.545 1.00 0.00 C ATOM 0 H VAL A 22 -2.254 6.413 3.050 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.995 4.224 3.972 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.924 5.317 3.322 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.059 7.139 5.061 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.239 5.676 5.655 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -4.284 7.103 5.186 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.088 7.731 2.763 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.313 7.796 2.649 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.241 6.774 1.525 1.00 0.00 H new ATOM 337 N VAL A 23 -4.185 3.364 1.650 1.00 0.00 N ATOM 338 CA VAL A 23 -4.207 2.734 0.324 1.00 0.00 C ATOM 339 C VAL A 23 -5.296 3.383 -0.544 1.00 0.00 C ATOM 340 O VAL A 23 -6.376 3.697 -0.045 1.00 0.00 O ATOM 341 CB VAL A 23 -4.473 1.226 0.476 1.00 0.00 C ATOM 342 CG1 VAL A 23 -4.344 0.503 -0.869 1.00 0.00 C ATOM 343 CG2 VAL A 23 -3.537 0.557 1.496 1.00 0.00 C ATOM 0 H VAL A 23 -4.549 2.762 2.389 1.00 0.00 H new ATOM 0 HA VAL A 23 -3.242 2.877 -0.162 1.00 0.00 H new ATOM 0 HB VAL A 23 -5.495 1.140 0.845 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.537 -0.561 -0.730 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.067 0.914 -1.574 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.336 0.641 -1.261 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.770 -0.506 1.562 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.502 0.682 1.177 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.674 1.020 2.473 1.00 0.00 H new ATOM 353 N ALA A 24 -5.051 3.553 -1.843 1.00 0.00 N ATOM 354 CA ALA A 24 -5.988 4.131 -2.811 1.00 0.00 C ATOM 355 C ALA A 24 -6.549 3.086 -3.795 1.00 0.00 C ATOM 356 O ALA A 24 -7.754 3.060 -4.052 1.00 0.00 O ATOM 357 CB ALA A 24 -5.273 5.268 -3.549 1.00 0.00 C ATOM 0 H ALA A 24 -4.164 3.283 -2.267 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.854 4.517 -2.274 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.952 5.714 -4.276 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.960 6.027 -2.832 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.398 4.873 -4.065 1.00 0.00 H new ATOM 363 N GLY A 25 -5.692 2.214 -4.335 1.00 0.00 N ATOM 364 CA GLY A 25 -6.070 1.147 -5.266 1.00 0.00 C ATOM 365 C GLY A 25 -4.872 0.409 -5.865 1.00 0.00 C ATOM 366 O GLY A 25 -3.717 0.772 -5.627 1.00 0.00 O ATOM 0 H GLY A 25 -4.693 2.231 -4.132 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.706 0.430 -4.746 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.665 1.574 -6.074 1.00 0.00 H new ATOM 370 N ILE A 26 -5.159 -0.642 -6.636 1.00 0.00 N ATOM 371 CA ILE A 26 -4.169 -1.472 -7.333 1.00 0.00 C ATOM 372 C ILE A 26 -3.811 -0.839 -8.685 1.00 0.00 C ATOM 373 O ILE A 26 -4.690 -0.543 -9.501 1.00 0.00 O ATOM 374 CB ILE A 26 -4.683 -2.923 -7.537 1.00 0.00 C ATOM 375 CG1 ILE A 26 -4.873 -3.711 -6.221 1.00 0.00 C ATOM 376 CG2 ILE A 26 -3.654 -3.710 -8.366 1.00 0.00 C ATOM 377 CD1 ILE A 26 -6.130 -3.355 -5.424 1.00 0.00 C ATOM 0 H ILE A 26 -6.118 -0.950 -6.799 1.00 0.00 H new ATOM 0 HA ILE A 26 -3.275 -1.522 -6.711 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.652 -2.827 -8.027 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.899 -4.775 -6.454 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -4.002 -3.545 -5.588 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.009 -4.730 -8.513 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.522 -3.228 -9.335 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.700 -3.730 -7.838 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.171 -3.962 -4.519 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -6.102 -2.300 -5.152 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -7.014 -3.549 -6.032 1.00 0.00 H new ATOM 389 N ALA A 27 -2.513 -0.683 -8.937 1.00 0.00 N ATOM 390 CA ALA A 27 -1.936 -0.202 -10.191 1.00 0.00 C ATOM 391 C ALA A 27 -0.974 -1.256 -10.767 1.00 0.00 C ATOM 392 O ALA A 27 0.049 -1.569 -10.159 1.00 0.00 O ATOM 393 CB ALA A 27 -1.227 1.131 -9.916 1.00 0.00 C ATOM 0 H ALA A 27 -1.801 -0.899 -8.239 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.715 -0.039 -10.936 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.789 1.508 -10.840 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.948 1.855 -9.535 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.440 0.979 -9.177 1.00 0.00 H new ATOM 399 N GLN A 28 -1.291 -1.815 -11.938 1.00 0.00 N ATOM 400 CA GLN A 28 -0.418 -2.751 -12.653 1.00 0.00 C ATOM 401 C GLN A 28 0.676 -2.012 -13.450 1.00 0.00 C ATOM 402 O GLN A 28 0.379 -1.317 -14.426 1.00 0.00 O ATOM 403 CB GLN A 28 -1.240 -3.691 -13.549 1.00 0.00 C ATOM 404 CG GLN A 28 -2.301 -4.487 -12.767 1.00 0.00 C ATOM 405 CD GLN A 28 -2.541 -5.867 -13.377 1.00 0.00 C ATOM 406 OE1 GLN A 28 -3.455 -6.088 -14.161 1.00 0.00 O ATOM 407 NE2 GLN A 28 -1.732 -6.848 -13.034 1.00 0.00 N ATOM 0 H GLN A 28 -2.170 -1.629 -12.421 1.00 0.00 H new ATOM 0 HA GLN A 28 0.092 -3.365 -11.911 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -1.732 -3.106 -14.326 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -0.568 -4.387 -14.051 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -1.981 -4.599 -11.731 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -3.237 -3.928 -12.753 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -0.968 -6.674 -12.382 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -1.870 -7.782 -13.421 1.00 0.00 H new ATOM 416 N ARG A 29 1.944 -2.167 -13.046 1.00 0.00 N ATOM 417 CA ARG A 29 3.138 -1.581 -13.686 1.00 0.00 C ATOM 418 C ARG A 29 3.875 -2.611 -14.542 1.00 0.00 C ATOM 419 O ARG A 29 4.327 -3.635 -14.032 1.00 0.00 O ATOM 420 CB ARG A 29 4.088 -0.997 -12.620 1.00 0.00 C ATOM 421 CG ARG A 29 3.535 0.257 -11.924 1.00 0.00 C ATOM 422 CD ARG A 29 3.599 1.522 -12.796 1.00 0.00 C ATOM 423 NE ARG A 29 4.947 2.129 -12.807 1.00 0.00 N ATOM 424 CZ ARG A 29 5.275 3.324 -13.271 1.00 0.00 C ATOM 425 NH1 ARG A 29 4.412 4.095 -13.872 1.00 0.00 N ATOM 426 NH2 ARG A 29 6.488 3.780 -13.137 1.00 0.00 N ATOM 0 H ARG A 29 2.180 -2.729 -12.228 1.00 0.00 H new ATOM 0 HA ARG A 29 2.802 -0.777 -14.341 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.290 -1.760 -11.868 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.041 -0.752 -13.090 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.499 0.076 -11.636 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.096 0.430 -11.005 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.307 1.272 -13.816 1.00 0.00 H new ATOM 0 HD3 ARG A 29 2.878 2.251 -12.428 1.00 0.00 H new ATOM 0 HE ARG A 29 5.704 1.568 -12.416 1.00 0.00 H new ATOM 0 HH11 ARG A 29 3.449 3.782 -13.997 1.00 0.00 H new ATOM 0 HH12 ARG A 29 4.700 5.011 -14.217 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.197 3.214 -12.670 1.00 0.00 H new ATOM 0 HH22 ARG A 29 6.729 4.703 -13.499 1.00 0.00 H new ATOM 440 N SER A 30 3.965 -2.348 -15.841 1.00 0.00 N ATOM 441 CA SER A 30 4.701 -3.116 -16.857 1.00 0.00 C ATOM 442 C SER A 30 6.220 -3.000 -16.637 1.00 0.00 C ATOM 443 O SER A 30 6.852 -2.027 -17.057 1.00 0.00 O ATOM 444 CB SER A 30 4.304 -2.643 -18.272 1.00 0.00 C ATOM 445 OG SER A 30 3.892 -1.278 -18.293 1.00 0.00 O ATOM 0 H SER A 30 3.496 -1.538 -16.247 1.00 0.00 H new ATOM 0 HA SER A 30 4.434 -4.168 -16.760 1.00 0.00 H new ATOM 0 HB2 SER A 30 5.150 -2.775 -18.947 1.00 0.00 H new ATOM 0 HB3 SER A 30 3.495 -3.270 -18.648 1.00 0.00 H new ATOM 0 HG SER A 30 3.652 -1.023 -19.208 1.00 0.00 H new ATOM 451 N VAL A 31 6.813 -3.986 -15.956 1.00 0.00 N ATOM 452 CA VAL A 31 8.249 -4.046 -15.603 1.00 0.00 C ATOM 453 C VAL A 31 8.799 -5.441 -15.913 1.00 0.00 C ATOM 454 O VAL A 31 8.117 -6.435 -15.687 1.00 0.00 O ATOM 455 CB VAL A 31 8.466 -3.691 -14.114 1.00 0.00 C ATOM 456 CG1 VAL A 31 9.962 -3.676 -13.763 1.00 0.00 C ATOM 457 CG2 VAL A 31 7.884 -2.316 -13.753 1.00 0.00 C ATOM 0 H VAL A 31 6.294 -4.797 -15.620 1.00 0.00 H new ATOM 0 HA VAL A 31 8.788 -3.312 -16.201 1.00 0.00 H new ATOM 0 HB VAL A 31 7.948 -4.462 -13.544 1.00 0.00 H new ATOM 0 HG11 VAL A 31 10.086 -3.424 -12.710 1.00 0.00 H new ATOM 0 HG12 VAL A 31 10.390 -4.660 -13.953 1.00 0.00 H new ATOM 0 HG13 VAL A 31 10.472 -2.934 -14.377 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.061 -2.112 -12.697 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.366 -1.547 -14.357 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.812 -2.312 -13.948 1.00 0.00 H new ATOM 467 N SER A 32 10.022 -5.553 -16.444 1.00 0.00 N ATOM 468 CA SER A 32 10.631 -6.841 -16.850 1.00 0.00 C ATOM 469 C SER A 32 9.776 -7.646 -17.860 1.00 0.00 C ATOM 470 O SER A 32 9.856 -8.876 -17.930 1.00 0.00 O ATOM 471 CB SER A 32 10.982 -7.651 -15.587 1.00 0.00 C ATOM 472 OG SER A 32 11.891 -8.704 -15.865 1.00 0.00 O ATOM 0 H SER A 32 10.628 -4.750 -16.609 1.00 0.00 H new ATOM 0 HA SER A 32 11.546 -6.622 -17.400 1.00 0.00 H new ATOM 0 HB2 SER A 32 11.415 -6.987 -14.839 1.00 0.00 H new ATOM 0 HB3 SER A 32 10.070 -8.064 -15.156 1.00 0.00 H new ATOM 0 HG SER A 32 11.575 -9.213 -16.640 1.00 0.00 H new ATOM 478 N GLY A 33 8.925 -6.964 -18.640 1.00 0.00 N ATOM 479 CA GLY A 33 7.976 -7.573 -19.583 1.00 0.00 C ATOM 480 C GLY A 33 6.718 -8.185 -18.941 1.00 0.00 C ATOM 481 O GLY A 33 5.964 -8.878 -19.629 1.00 0.00 O ATOM 0 H GLY A 33 8.877 -5.945 -18.632 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.666 -6.815 -20.302 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.494 -8.351 -20.144 1.00 0.00 H new ATOM 485 N VAL A 34 6.473 -7.944 -17.647 1.00 0.00 N ATOM 486 CA VAL A 34 5.329 -8.456 -16.873 1.00 0.00 C ATOM 487 C VAL A 34 4.639 -7.334 -16.091 1.00 0.00 C ATOM 488 O VAL A 34 5.282 -6.535 -15.411 1.00 0.00 O ATOM 489 CB VAL A 34 5.758 -9.638 -15.970 1.00 0.00 C ATOM 490 CG1 VAL A 34 6.919 -9.341 -15.011 1.00 0.00 C ATOM 491 CG2 VAL A 34 4.585 -10.184 -15.147 1.00 0.00 C ATOM 0 H VAL A 34 7.092 -7.361 -17.084 1.00 0.00 H new ATOM 0 HA VAL A 34 4.588 -8.845 -17.571 1.00 0.00 H new ATOM 0 HB VAL A 34 6.111 -10.381 -16.685 1.00 0.00 H new ATOM 0 HG11 VAL A 34 7.143 -10.232 -14.424 1.00 0.00 H new ATOM 0 HG12 VAL A 34 7.800 -9.054 -15.585 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.640 -8.526 -14.343 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.929 -11.012 -14.527 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.189 -9.394 -14.509 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.801 -10.535 -15.819 1.00 0.00 H new ATOM 501 N SER A 35 3.314 -7.225 -16.210 1.00 0.00 N ATOM 502 CA SER A 35 2.551 -6.254 -15.420 1.00 0.00 C ATOM 503 C SER A 35 2.404 -6.771 -13.980 1.00 0.00 C ATOM 504 O SER A 35 1.852 -7.852 -13.750 1.00 0.00 O ATOM 505 CB SER A 35 1.208 -5.921 -16.088 1.00 0.00 C ATOM 506 OG SER A 35 0.309 -7.018 -16.171 1.00 0.00 O ATOM 0 H SER A 35 2.749 -7.793 -16.842 1.00 0.00 H new ATOM 0 HA SER A 35 3.094 -5.310 -15.376 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.729 -5.115 -15.532 1.00 0.00 H new ATOM 0 HB3 SER A 35 1.399 -5.546 -17.093 1.00 0.00 H new ATOM 0 HG SER A 35 0.513 -7.662 -15.461 1.00 0.00 H new ATOM 512 N ARG A 36 2.913 -6.019 -12.993 1.00 0.00 N ATOM 513 CA ARG A 36 2.819 -6.377 -11.562 1.00 0.00 C ATOM 514 C ARG A 36 1.952 -5.368 -10.835 1.00 0.00 C ATOM 515 O ARG A 36 2.111 -4.165 -11.025 1.00 0.00 O ATOM 516 CB ARG A 36 4.204 -6.458 -10.893 1.00 0.00 C ATOM 517 CG ARG A 36 5.250 -7.202 -11.734 1.00 0.00 C ATOM 518 CD ARG A 36 6.397 -7.768 -10.882 1.00 0.00 C ATOM 519 NE ARG A 36 6.381 -9.246 -10.875 1.00 0.00 N ATOM 520 CZ ARG A 36 7.291 -10.058 -10.369 1.00 0.00 C ATOM 521 NH1 ARG A 36 8.329 -9.615 -9.718 1.00 0.00 N ATOM 522 NH2 ARG A 36 7.178 -11.346 -10.519 1.00 0.00 N ATOM 0 H ARG A 36 3.404 -5.141 -13.161 1.00 0.00 H new ATOM 0 HA ARG A 36 2.367 -7.367 -11.499 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.562 -5.448 -10.694 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.104 -6.956 -9.929 1.00 0.00 H new ATOM 0 HG2 ARG A 36 4.766 -8.017 -12.272 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.659 -6.523 -12.483 1.00 0.00 H new ATOM 0 HD2 ARG A 36 7.351 -7.414 -11.272 1.00 0.00 H new ATOM 0 HD3 ARG A 36 6.312 -7.396 -9.861 1.00 0.00 H new ATOM 0 HE ARG A 36 5.573 -9.690 -11.312 1.00 0.00 H new ATOM 0 HH11 ARG A 36 8.458 -8.612 -9.586 1.00 0.00 H new ATOM 0 HH12 ARG A 36 9.012 -10.271 -9.340 1.00 0.00 H new ATOM 0 HH21 ARG A 36 6.384 -11.732 -11.029 1.00 0.00 H new ATOM 0 HH22 ARG A 36 7.884 -11.969 -10.126 1.00 0.00 H new ATOM 536 N ALA A 37 1.038 -5.854 -10.007 1.00 0.00 N ATOM 537 CA ALA A 37 0.162 -5.012 -9.208 1.00 0.00 C ATOM 538 C ALA A 37 0.919 -4.361 -8.034 1.00 0.00 C ATOM 539 O ALA A 37 1.761 -4.987 -7.383 1.00 0.00 O ATOM 540 CB ALA A 37 -1.022 -5.869 -8.756 1.00 0.00 C ATOM 0 H ALA A 37 0.883 -6.853 -9.870 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.211 -4.176 -9.800 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.699 -5.265 -8.153 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.553 -6.246 -9.630 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -0.658 -6.708 -8.163 1.00 0.00 H new ATOM 546 N TYR A 38 0.568 -3.108 -7.753 1.00 0.00 N ATOM 547 CA TYR A 38 1.131 -2.281 -6.693 1.00 0.00 C ATOM 548 C TYR A 38 0.050 -1.422 -6.027 1.00 0.00 C ATOM 549 O TYR A 38 -0.689 -0.713 -6.712 1.00 0.00 O ATOM 550 CB TYR A 38 2.220 -1.385 -7.289 1.00 0.00 C ATOM 551 CG TYR A 38 3.521 -2.101 -7.608 1.00 0.00 C ATOM 552 CD1 TYR A 38 4.391 -2.434 -6.558 1.00 0.00 C ATOM 553 CD2 TYR A 38 3.870 -2.431 -8.933 1.00 0.00 C ATOM 554 CE1 TYR A 38 5.604 -3.097 -6.814 1.00 0.00 C ATOM 555 CE2 TYR A 38 5.093 -3.079 -9.200 1.00 0.00 C ATOM 556 CZ TYR A 38 5.959 -3.423 -8.139 1.00 0.00 C ATOM 557 OH TYR A 38 7.134 -4.069 -8.379 1.00 0.00 O ATOM 0 H TYR A 38 -0.152 -2.620 -8.286 1.00 0.00 H new ATOM 0 HA TYR A 38 1.557 -2.930 -5.928 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.838 -0.929 -8.202 1.00 0.00 H new ATOM 0 HB3 TYR A 38 2.428 -0.574 -6.591 1.00 0.00 H new ATOM 0 HD1 TYR A 38 4.126 -2.178 -5.543 1.00 0.00 H new ATOM 0 HD2 TYR A 38 3.200 -2.187 -9.744 1.00 0.00 H new ATOM 0 HE1 TYR A 38 6.262 -3.356 -5.998 1.00 0.00 H new ATOM 0 HE2 TYR A 38 5.368 -3.313 -10.218 1.00 0.00 H new ATOM 0 HH TYR A 38 7.232 -4.223 -9.342 1.00 0.00 H new ATOM 567 N TYR A 39 -0.061 -1.481 -4.699 1.00 0.00 N ATOM 568 CA TYR A 39 -0.977 -0.634 -3.930 1.00 0.00 C ATOM 569 C TYR A 39 -0.464 0.809 -3.857 1.00 0.00 C ATOM 570 O TYR A 39 0.614 1.046 -3.314 1.00 0.00 O ATOM 571 CB TYR A 39 -1.142 -1.175 -2.502 1.00 0.00 C ATOM 572 CG TYR A 39 -1.526 -2.633 -2.386 1.00 0.00 C ATOM 573 CD1 TYR A 39 -2.609 -3.136 -3.129 1.00 0.00 C ATOM 574 CD2 TYR A 39 -0.804 -3.481 -1.526 1.00 0.00 C ATOM 575 CE1 TYR A 39 -2.970 -4.491 -3.022 1.00 0.00 C ATOM 576 CE2 TYR A 39 -1.174 -4.831 -1.402 1.00 0.00 C ATOM 577 CZ TYR A 39 -2.268 -5.337 -2.136 1.00 0.00 C ATOM 578 OH TYR A 39 -2.620 -6.644 -2.016 1.00 0.00 O ATOM 0 H TYR A 39 0.485 -2.121 -4.122 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.940 -0.646 -4.441 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -0.205 -1.023 -1.967 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.900 -0.579 -1.994 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.165 -2.480 -3.783 1.00 0.00 H new ATOM 0 HD2 TYR A 39 0.033 -3.095 -0.962 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -3.782 -4.883 -3.616 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -0.620 -5.483 -0.743 1.00 0.00 H new ATOM 0 HH TYR A 39 -1.904 -7.135 -1.561 1.00 0.00 H new ATOM 588 N GLN A 40 -1.215 1.765 -4.408 1.00 0.00 N ATOM 589 CA GLN A 40 -0.923 3.199 -4.334 1.00 0.00 C ATOM 590 C GLN A 40 -1.220 3.719 -2.915 1.00 0.00 C ATOM 591 O GLN A 40 -2.384 3.876 -2.553 1.00 0.00 O ATOM 592 CB GLN A 40 -1.757 3.930 -5.406 1.00 0.00 C ATOM 593 CG GLN A 40 -1.652 5.464 -5.337 1.00 0.00 C ATOM 594 CD GLN A 40 -2.377 6.144 -6.501 1.00 0.00 C ATOM 595 OE1 GLN A 40 -2.035 5.981 -7.664 1.00 0.00 O ATOM 596 NE2 GLN A 40 -3.374 6.966 -6.247 1.00 0.00 N ATOM 0 H GLN A 40 -2.065 1.558 -4.932 1.00 0.00 H new ATOM 0 HA GLN A 40 0.132 3.388 -4.533 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -1.435 3.597 -6.393 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -2.803 3.642 -5.298 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -2.073 5.814 -4.394 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -0.602 5.756 -5.345 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -3.677 7.118 -5.285 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -3.843 7.451 -7.012 1.00 0.00 H new ATOM 605 N VAL A 41 -0.198 3.968 -2.094 1.00 0.00 N ATOM 606 CA VAL A 41 -0.333 4.566 -0.752 1.00 0.00 C ATOM 607 C VAL A 41 -0.147 6.077 -0.846 1.00 0.00 C ATOM 608 O VAL A 41 0.958 6.536 -1.124 1.00 0.00 O ATOM 609 CB VAL A 41 0.672 3.986 0.261 1.00 0.00 C ATOM 610 CG1 VAL A 41 0.268 4.383 1.689 1.00 0.00 C ATOM 611 CG2 VAL A 41 0.746 2.461 0.194 1.00 0.00 C ATOM 0 H VAL A 41 0.769 3.758 -2.343 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.333 4.325 -0.390 1.00 0.00 H new ATOM 0 HB VAL A 41 1.649 4.395 0.004 1.00 0.00 H new ATOM 0 HG11 VAL A 41 0.984 3.968 2.398 1.00 0.00 H new ATOM 0 HG12 VAL A 41 0.259 5.470 1.776 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.726 3.993 1.908 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.468 2.099 0.926 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.235 2.039 0.412 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.058 2.155 -0.805 1.00 0.00 H new ATOM 621 N ASP A 42 -1.216 6.849 -0.665 1.00 0.00 N ATOM 622 CA ASP A 42 -1.210 8.318 -0.705 1.00 0.00 C ATOM 623 C ASP A 42 -1.188 8.891 0.728 1.00 0.00 C ATOM 624 O ASP A 42 -1.978 8.474 1.581 1.00 0.00 O ATOM 625 CB ASP A 42 -2.445 8.779 -1.499 1.00 0.00 C ATOM 626 CG ASP A 42 -2.350 10.242 -1.965 1.00 0.00 C ATOM 627 OD1 ASP A 42 -2.403 11.156 -1.112 1.00 0.00 O ATOM 628 OD2 ASP A 42 -2.269 10.477 -3.195 1.00 0.00 O ATOM 0 H ASP A 42 -2.141 6.462 -0.480 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.314 8.690 -1.202 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -2.572 8.134 -2.369 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -3.334 8.658 -0.880 1.00 0.00 H new ATOM 633 N PHE A 43 -0.269 9.815 1.020 1.00 0.00 N ATOM 634 CA PHE A 43 -0.074 10.388 2.364 1.00 0.00 C ATOM 635 C PHE A 43 -0.602 11.834 2.447 1.00 0.00 C ATOM 636 O PHE A 43 -0.461 12.584 1.476 1.00 0.00 O ATOM 637 CB PHE A 43 1.415 10.353 2.742 1.00 0.00 C ATOM 638 CG PHE A 43 2.111 9.061 2.371 1.00 0.00 C ATOM 639 CD1 PHE A 43 2.034 7.939 3.213 1.00 0.00 C ATOM 640 CD2 PHE A 43 2.771 8.961 1.133 1.00 0.00 C ATOM 641 CE1 PHE A 43 2.619 6.728 2.821 1.00 0.00 C ATOM 642 CE2 PHE A 43 3.363 7.753 0.740 1.00 0.00 C ATOM 643 CZ PHE A 43 3.288 6.637 1.588 1.00 0.00 C ATOM 0 H PHE A 43 0.372 10.195 0.323 1.00 0.00 H new ATOM 0 HA PHE A 43 -0.643 9.782 3.069 1.00 0.00 H new ATOM 0 HB2 PHE A 43 1.924 11.183 2.251 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.511 10.511 3.816 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.524 8.010 4.162 1.00 0.00 H new ATOM 0 HD2 PHE A 43 2.822 9.821 0.481 1.00 0.00 H new ATOM 0 HE1 PHE A 43 2.556 5.864 3.466 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.874 7.681 -0.209 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.746 5.705 1.292 1.00 0.00 H new ATOM 653 N PRO A 44 -1.157 12.276 3.592 1.00 0.00 N ATOM 654 CA PRO A 44 -1.626 13.653 3.756 1.00 0.00 C ATOM 655 C PRO A 44 -0.467 14.670 3.771 1.00 0.00 C ATOM 656 O PRO A 44 0.689 14.332 4.037 1.00 0.00 O ATOM 657 CB PRO A 44 -2.421 13.652 5.067 1.00 0.00 C ATOM 658 CG PRO A 44 -1.768 12.533 5.878 1.00 0.00 C ATOM 659 CD PRO A 44 -1.385 11.509 4.811 1.00 0.00 C ATOM 0 HA PRO A 44 -2.244 13.968 2.915 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -2.352 14.612 5.579 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -3.480 13.458 4.895 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -0.896 12.889 6.426 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -2.456 12.113 6.611 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -0.490 10.958 5.100 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -2.179 10.776 4.669 1.00 0.00 H new ATOM 667 N GLY A 45 -0.786 15.939 3.493 1.00 0.00 N ATOM 668 CA GLY A 45 0.156 17.070 3.457 1.00 0.00 C ATOM 669 C GLY A 45 0.917 17.254 2.131 1.00 0.00 C ATOM 670 O GLY A 45 1.495 18.319 1.901 1.00 0.00 O ATOM 0 H GLY A 45 -1.743 16.220 3.278 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.394 17.986 3.670 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.883 16.941 4.259 1.00 0.00 H new ATOM 674 N SER A 46 0.908 16.253 1.249 1.00 0.00 N ATOM 675 CA SER A 46 1.525 16.261 -0.089 1.00 0.00 C ATOM 676 C SER A 46 0.796 15.307 -1.050 1.00 0.00 C ATOM 677 O SER A 46 -0.258 14.757 -0.719 1.00 0.00 O ATOM 678 CB SER A 46 3.017 15.896 0.026 1.00 0.00 C ATOM 679 OG SER A 46 3.187 14.574 0.513 1.00 0.00 O ATOM 0 H SER A 46 0.447 15.366 1.454 1.00 0.00 H new ATOM 0 HA SER A 46 1.437 17.265 -0.505 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.493 15.991 -0.950 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.515 16.599 0.693 1.00 0.00 H new ATOM 0 HG SER A 46 4.143 14.368 0.574 1.00 0.00 H new ATOM 685 N ARG A 47 1.336 15.130 -2.264 1.00 0.00 N ATOM 686 CA ARG A 47 0.852 14.182 -3.285 1.00 0.00 C ATOM 687 C ARG A 47 1.798 12.986 -3.451 1.00 0.00 C ATOM 688 O ARG A 47 1.725 12.283 -4.457 1.00 0.00 O ATOM 689 CB ARG A 47 0.580 14.927 -4.605 1.00 0.00 C ATOM 690 CG ARG A 47 -0.579 14.298 -5.399 1.00 0.00 C ATOM 691 CD ARG A 47 -0.884 15.155 -6.632 1.00 0.00 C ATOM 692 NE ARG A 47 -2.216 14.860 -7.195 1.00 0.00 N ATOM 693 CZ ARG A 47 -2.889 15.618 -8.043 1.00 0.00 C ATOM 694 NH1 ARG A 47 -2.375 16.699 -8.558 1.00 0.00 N ATOM 695 NH2 ARG A 47 -4.106 15.308 -8.391 1.00 0.00 N ATOM 0 H ARG A 47 2.150 15.660 -2.576 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.093 13.755 -2.949 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.347 15.970 -4.390 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.482 14.921 -5.216 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.316 13.285 -5.704 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.465 14.221 -4.769 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -0.830 16.210 -6.363 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.122 14.981 -7.392 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.659 13.989 -6.902 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -1.427 16.981 -8.309 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -2.921 17.263 -9.210 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -4.549 14.473 -8.008 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -4.616 15.901 -9.046 1.00 0.00 H new ATOM 709 N SER A 48 2.711 12.769 -2.498 1.00 0.00 N ATOM 710 CA SER A 48 3.603 11.605 -2.478 1.00 0.00 C ATOM 711 C SER A 48 2.788 10.311 -2.511 1.00 0.00 C ATOM 712 O SER A 48 1.803 10.164 -1.781 1.00 0.00 O ATOM 713 CB SER A 48 4.506 11.615 -1.237 1.00 0.00 C ATOM 714 OG SER A 48 5.628 12.452 -1.470 1.00 0.00 O ATOM 0 H SER A 48 2.853 13.403 -1.711 1.00 0.00 H new ATOM 0 HA SER A 48 4.236 11.657 -3.364 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.947 11.971 -0.372 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.837 10.602 -1.008 1.00 0.00 H new ATOM 0 HG SER A 48 6.202 12.458 -0.676 1.00 0.00 H new ATOM 720 N LYS A 49 3.214 9.377 -3.365 1.00 0.00 N ATOM 721 CA LYS A 49 2.627 8.041 -3.511 1.00 0.00 C ATOM 722 C LYS A 49 3.721 6.991 -3.362 1.00 0.00 C ATOM 723 O LYS A 49 4.820 7.171 -3.889 1.00 0.00 O ATOM 724 CB LYS A 49 1.900 7.891 -4.867 1.00 0.00 C ATOM 725 CG LYS A 49 0.908 9.035 -5.139 1.00 0.00 C ATOM 726 CD LYS A 49 0.092 8.894 -6.429 1.00 0.00 C ATOM 727 CE LYS A 49 0.956 9.095 -7.684 1.00 0.00 C ATOM 728 NZ LYS A 49 0.275 9.949 -8.694 1.00 0.00 N ATOM 0 H LYS A 49 4.002 9.534 -3.994 1.00 0.00 H new ATOM 0 HA LYS A 49 1.882 7.897 -2.729 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.638 7.857 -5.668 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.366 6.941 -4.885 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.219 9.106 -4.297 1.00 0.00 H new ATOM 0 HG3 LYS A 49 1.461 9.973 -5.178 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.368 7.906 -6.460 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.718 9.623 -6.427 1.00 0.00 H new ATOM 0 HE2 LYS A 49 1.905 9.552 -7.402 1.00 0.00 H new ATOM 0 HE3 LYS A 49 1.187 8.125 -8.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 0.890 10.061 -9.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.618 9.501 -8.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 0.077 10.883 -8.282 1.00 0.00 H new ATOM 742 N ALA A 50 3.412 5.885 -2.694 1.00 0.00 N ATOM 743 CA ALA A 50 4.310 4.741 -2.552 1.00 0.00 C ATOM 744 C ALA A 50 3.632 3.490 -3.115 1.00 0.00 C ATOM 745 O ALA A 50 2.476 3.224 -2.797 1.00 0.00 O ATOM 746 CB ALA A 50 4.705 4.569 -1.086 1.00 0.00 C ATOM 0 H ALA A 50 2.515 5.754 -2.227 1.00 0.00 H new ATOM 0 HA ALA A 50 5.226 4.910 -3.119 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.374 3.714 -0.987 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.212 5.469 -0.738 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.811 4.401 -0.486 1.00 0.00 H new ATOM 752 N TYR A 51 4.329 2.753 -3.978 1.00 0.00 N ATOM 753 CA TYR A 51 3.803 1.579 -4.680 1.00 0.00 C ATOM 754 C TYR A 51 4.241 0.294 -3.964 1.00 0.00 C ATOM 755 O TYR A 51 5.376 -0.163 -4.117 1.00 0.00 O ATOM 756 CB TYR A 51 4.271 1.618 -6.151 1.00 0.00 C ATOM 757 CG TYR A 51 3.359 2.366 -7.113 1.00 0.00 C ATOM 758 CD1 TYR A 51 2.845 3.638 -6.788 1.00 0.00 C ATOM 759 CD2 TYR A 51 3.024 1.780 -8.351 1.00 0.00 C ATOM 760 CE1 TYR A 51 1.975 4.301 -7.673 1.00 0.00 C ATOM 761 CE2 TYR A 51 2.145 2.434 -9.235 1.00 0.00 C ATOM 762 CZ TYR A 51 1.613 3.697 -8.896 1.00 0.00 C ATOM 763 OH TYR A 51 0.764 4.337 -9.747 1.00 0.00 O ATOM 0 H TYR A 51 5.299 2.959 -4.216 1.00 0.00 H new ATOM 0 HA TYR A 51 2.713 1.592 -4.672 1.00 0.00 H new ATOM 0 HB2 TYR A 51 5.260 2.075 -6.187 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.381 0.593 -6.506 1.00 0.00 H new ATOM 0 HD1 TYR A 51 3.121 4.106 -5.855 1.00 0.00 H new ATOM 0 HD2 TYR A 51 3.445 0.823 -8.623 1.00 0.00 H new ATOM 0 HE1 TYR A 51 1.583 5.274 -7.416 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.878 1.969 -10.173 1.00 0.00 H new ATOM 0 HH TYR A 51 0.620 3.784 -10.543 1.00 0.00 H new ATOM 773 N VAL A 52 3.353 -0.278 -3.145 1.00 0.00 N ATOM 774 CA VAL A 52 3.644 -1.476 -2.331 1.00 0.00 C ATOM 775 C VAL A 52 3.373 -2.760 -3.129 1.00 0.00 C ATOM 776 O VAL A 52 2.269 -2.900 -3.662 1.00 0.00 O ATOM 777 CB VAL A 52 2.801 -1.488 -1.047 1.00 0.00 C ATOM 778 CG1 VAL A 52 3.023 -2.764 -0.227 1.00 0.00 C ATOM 779 CG2 VAL A 52 3.107 -0.264 -0.170 1.00 0.00 C ATOM 0 H VAL A 52 2.404 0.075 -3.023 1.00 0.00 H new ATOM 0 HA VAL A 52 4.700 -1.438 -2.062 1.00 0.00 H new ATOM 0 HB VAL A 52 1.758 -1.455 -1.362 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.408 -2.730 0.672 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.746 -3.633 -0.824 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.073 -2.837 0.055 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.495 -0.300 0.731 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.161 -0.269 0.107 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.882 0.647 -0.725 1.00 0.00 H new ATOM 789 N PRO A 53 4.326 -3.710 -3.215 1.00 0.00 N ATOM 790 CA PRO A 53 4.146 -4.963 -3.952 1.00 0.00 C ATOM 791 C PRO A 53 3.062 -5.845 -3.324 1.00 0.00 C ATOM 792 O PRO A 53 3.126 -6.163 -2.137 1.00 0.00 O ATOM 793 CB PRO A 53 5.515 -5.658 -3.923 1.00 0.00 C ATOM 794 CG PRO A 53 6.184 -5.093 -2.671 1.00 0.00 C ATOM 795 CD PRO A 53 5.649 -3.667 -2.606 1.00 0.00 C ATOM 0 HA PRO A 53 3.810 -4.774 -4.972 1.00 0.00 H new ATOM 0 HB2 PRO A 53 5.412 -6.742 -3.867 1.00 0.00 H new ATOM 0 HB3 PRO A 53 6.094 -5.438 -4.820 1.00 0.00 H new ATOM 0 HG2 PRO A 53 5.920 -5.664 -1.781 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.271 -5.112 -2.751 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.594 -3.317 -1.575 1.00 0.00 H new ATOM 0 HD3 PRO A 53 6.304 -2.979 -3.141 1.00 0.00 H new ATOM 803 N VAL A 54 2.095 -6.298 -4.126 1.00 0.00 N ATOM 804 CA VAL A 54 1.039 -7.228 -3.668 1.00 0.00 C ATOM 805 C VAL A 54 1.568 -8.604 -3.238 1.00 0.00 C ATOM 806 O VAL A 54 0.916 -9.298 -2.459 1.00 0.00 O ATOM 807 CB VAL A 54 -0.060 -7.424 -4.729 1.00 0.00 C ATOM 808 CG1 VAL A 54 -0.714 -6.095 -5.115 1.00 0.00 C ATOM 809 CG2 VAL A 54 0.454 -8.099 -6.007 1.00 0.00 C ATOM 0 H VAL A 54 2.015 -6.037 -5.109 1.00 0.00 H new ATOM 0 HA VAL A 54 0.617 -6.744 -2.787 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.794 -8.080 -4.261 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.484 -6.273 -5.865 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.165 -5.642 -4.232 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.041 -5.423 -5.522 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.367 -8.209 -6.716 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.238 -7.486 -6.452 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.857 -9.082 -5.763 1.00 0.00 H new ATOM 819 N GLU A 55 2.740 -9.016 -3.738 1.00 0.00 N ATOM 820 CA GLU A 55 3.343 -10.326 -3.442 1.00 0.00 C ATOM 821 C GLU A 55 3.923 -10.394 -2.022 1.00 0.00 C ATOM 822 O GLU A 55 3.724 -11.383 -1.311 1.00 0.00 O ATOM 823 CB GLU A 55 4.455 -10.666 -4.448 1.00 0.00 C ATOM 824 CG GLU A 55 4.004 -10.555 -5.914 1.00 0.00 C ATOM 825 CD GLU A 55 4.886 -11.368 -6.889 1.00 0.00 C ATOM 826 OE1 GLU A 55 6.071 -11.656 -6.589 1.00 0.00 O ATOM 827 OE2 GLU A 55 4.389 -11.720 -7.988 1.00 0.00 O ATOM 0 H GLU A 55 3.304 -8.444 -4.367 1.00 0.00 H new ATOM 0 HA GLU A 55 2.536 -11.055 -3.523 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.301 -9.998 -4.284 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.808 -11.680 -4.260 1.00 0.00 H new ATOM 0 HG2 GLU A 55 2.973 -10.898 -5.996 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.016 -9.507 -6.212 1.00 0.00 H new ATOM 834 N ALA A 56 4.632 -9.339 -1.608 1.00 0.00 N ATOM 835 CA ALA A 56 5.236 -9.210 -0.285 1.00 0.00 C ATOM 836 C ALA A 56 5.027 -7.788 0.282 1.00 0.00 C ATOM 837 O ALA A 56 5.988 -7.028 0.439 1.00 0.00 O ATOM 838 CB ALA A 56 6.714 -9.607 -0.410 1.00 0.00 C ATOM 0 H ALA A 56 4.804 -8.530 -2.204 1.00 0.00 H new ATOM 0 HA ALA A 56 4.757 -9.874 0.434 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.197 -9.522 0.563 1.00 0.00 H new ATOM 0 HB2 ALA A 56 6.786 -10.636 -0.762 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.210 -8.945 -1.120 1.00 0.00 H new ATOM 844 N PRO A 57 3.788 -7.425 0.665 1.00 0.00 N ATOM 845 CA PRO A 57 3.484 -6.077 1.143 1.00 0.00 C ATOM 846 C PRO A 57 4.098 -5.820 2.528 1.00 0.00 C ATOM 847 O PRO A 57 4.564 -4.720 2.816 1.00 0.00 O ATOM 848 CB PRO A 57 1.954 -5.988 1.124 1.00 0.00 C ATOM 849 CG PRO A 57 1.493 -7.433 1.312 1.00 0.00 C ATOM 850 CD PRO A 57 2.571 -8.223 0.570 1.00 0.00 C ATOM 0 HA PRO A 57 3.920 -5.300 0.516 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.582 -5.344 1.921 1.00 0.00 H new ATOM 0 HB3 PRO A 57 1.591 -5.573 0.184 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.441 -7.709 2.365 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.503 -7.601 0.889 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.713 -9.206 1.018 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.290 -8.385 -0.471 1.00 0.00 H new ATOM 858 N HIS A 58 4.187 -6.856 3.368 1.00 0.00 N ATOM 859 CA HIS A 58 4.842 -6.797 4.680 1.00 0.00 C ATOM 860 C HIS A 58 6.375 -6.671 4.596 1.00 0.00 C ATOM 861 O HIS A 58 6.974 -6.117 5.517 1.00 0.00 O ATOM 862 CB HIS A 58 4.404 -8.012 5.518 1.00 0.00 C ATOM 863 CG HIS A 58 4.763 -9.344 4.899 1.00 0.00 C ATOM 864 ND1 HIS A 58 3.933 -10.135 4.121 1.00 0.00 N ATOM 865 CD2 HIS A 58 5.982 -9.956 4.983 1.00 0.00 C ATOM 866 CE1 HIS A 58 4.654 -11.199 3.713 1.00 0.00 C ATOM 867 NE2 HIS A 58 5.899 -11.114 4.230 1.00 0.00 N ATOM 0 H HIS A 58 3.800 -7.775 3.152 1.00 0.00 H new ATOM 0 HA HIS A 58 4.518 -5.881 5.175 1.00 0.00 H new ATOM 0 HB2 HIS A 58 4.863 -7.945 6.504 1.00 0.00 H new ATOM 0 HB3 HIS A 58 3.325 -7.970 5.665 1.00 0.00 H new ATOM 0 HD2 HIS A 58 6.843 -9.604 5.531 1.00 0.00 H new ATOM 0 HE1 HIS A 58 4.294 -11.992 3.075 1.00 0.00 H new ATOM 0 HE2 HIS A 58 6.651 -11.789 4.089 1.00 0.00 H new ATOM 876 N SER A 59 7.023 -7.116 3.508 1.00 0.00 N ATOM 877 CA SER A 59 8.494 -7.046 3.344 1.00 0.00 C ATOM 878 C SER A 59 9.037 -5.613 3.308 1.00 0.00 C ATOM 879 O SER A 59 10.116 -5.357 3.847 1.00 0.00 O ATOM 880 CB SER A 59 8.969 -7.798 2.095 1.00 0.00 C ATOM 881 OG SER A 59 8.978 -9.191 2.359 1.00 0.00 O ATOM 0 H SER A 59 6.545 -7.537 2.711 1.00 0.00 H new ATOM 0 HA SER A 59 8.896 -7.532 4.233 1.00 0.00 H new ATOM 0 HB2 SER A 59 8.311 -7.580 1.254 1.00 0.00 H new ATOM 0 HB3 SER A 59 9.967 -7.464 1.813 1.00 0.00 H new ATOM 0 HG SER A 59 9.280 -9.673 1.561 1.00 0.00 H new ATOM 887 N VAL A 60 8.300 -4.662 2.714 1.00 0.00 N ATOM 888 CA VAL A 60 8.677 -3.230 2.716 1.00 0.00 C ATOM 889 C VAL A 60 8.467 -2.576 4.101 1.00 0.00 C ATOM 890 O VAL A 60 8.998 -1.500 4.376 1.00 0.00 O ATOM 891 CB VAL A 60 7.936 -2.468 1.591 1.00 0.00 C ATOM 892 CG1 VAL A 60 6.411 -2.471 1.750 1.00 0.00 C ATOM 893 CG2 VAL A 60 8.420 -1.025 1.411 1.00 0.00 C ATOM 0 H VAL A 60 7.429 -4.857 2.220 1.00 0.00 H new ATOM 0 HA VAL A 60 9.745 -3.166 2.510 1.00 0.00 H new ATOM 0 HB VAL A 60 8.188 -3.031 0.693 1.00 0.00 H new ATOM 0 HG11 VAL A 60 5.958 -1.919 0.926 1.00 0.00 H new ATOM 0 HG12 VAL A 60 6.046 -3.498 1.742 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.143 -1.998 2.695 1.00 0.00 H new ATOM 0 HG21 VAL A 60 7.858 -0.550 0.607 1.00 0.00 H new ATOM 0 HG22 VAL A 60 8.266 -0.471 2.337 1.00 0.00 H new ATOM 0 HG23 VAL A 60 9.481 -1.026 1.161 1.00 0.00 H new ATOM 903 N GLY A 61 7.717 -3.235 4.994 1.00 0.00 N ATOM 904 CA GLY A 61 7.316 -2.745 6.318 1.00 0.00 C ATOM 905 C GLY A 61 5.878 -2.205 6.393 1.00 0.00 C ATOM 906 O GLY A 61 5.491 -1.673 7.434 1.00 0.00 O ATOM 0 H GLY A 61 7.356 -4.170 4.803 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.424 -3.556 7.039 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.003 -1.955 6.622 1.00 0.00 H new ATOM 910 N LEU A 62 5.082 -2.326 5.319 1.00 0.00 N ATOM 911 CA LEU A 62 3.672 -1.918 5.293 1.00 0.00 C ATOM 912 C LEU A 62 2.784 -2.929 6.036 1.00 0.00 C ATOM 913 O LEU A 62 2.641 -4.075 5.603 1.00 0.00 O ATOM 914 CB LEU A 62 3.169 -1.738 3.847 1.00 0.00 C ATOM 915 CG LEU A 62 1.748 -1.119 3.812 1.00 0.00 C ATOM 916 CD1 LEU A 62 1.785 0.406 3.825 1.00 0.00 C ATOM 917 CD2 LEU A 62 0.944 -1.570 2.598 1.00 0.00 C ATOM 0 H LEU A 62 5.406 -2.715 4.434 1.00 0.00 H new ATOM 0 HA LEU A 62 3.606 -0.958 5.805 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.859 -1.098 3.298 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.159 -2.704 3.341 1.00 0.00 H new ATOM 0 HG LEU A 62 1.259 -1.479 4.717 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.767 0.795 3.799 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.282 0.750 4.732 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.332 0.764 2.953 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.043 -1.107 2.623 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.462 -1.271 1.687 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.837 -2.655 2.615 1.00 0.00 H new ATOM 929 N ARG A 63 2.164 -2.498 7.139 1.00 0.00 N ATOM 930 CA ARG A 63 1.193 -3.283 7.923 1.00 0.00 C ATOM 931 C ARG A 63 -0.004 -2.428 8.350 1.00 0.00 C ATOM 932 O ARG A 63 0.048 -1.200 8.296 1.00 0.00 O ATOM 933 CB ARG A 63 1.881 -3.953 9.129 1.00 0.00 C ATOM 934 CG ARG A 63 2.781 -5.123 8.691 1.00 0.00 C ATOM 935 CD ARG A 63 3.262 -5.968 9.876 1.00 0.00 C ATOM 936 NE ARG A 63 2.154 -6.710 10.514 1.00 0.00 N ATOM 937 CZ ARG A 63 2.195 -7.386 11.649 1.00 0.00 C ATOM 938 NH1 ARG A 63 3.289 -7.491 12.349 1.00 0.00 N ATOM 939 NH2 ARG A 63 1.128 -7.977 12.107 1.00 0.00 N ATOM 0 H ARG A 63 2.325 -1.568 7.526 1.00 0.00 H new ATOM 0 HA ARG A 63 0.803 -4.075 7.284 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.478 -3.215 9.664 1.00 0.00 H new ATOM 0 HB3 ARG A 63 1.124 -4.316 9.825 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.233 -5.758 7.995 1.00 0.00 H new ATOM 0 HG3 ARG A 63 3.645 -4.732 8.154 1.00 0.00 H new ATOM 0 HD2 ARG A 63 4.021 -6.672 9.535 1.00 0.00 H new ATOM 0 HD3 ARG A 63 3.737 -5.321 10.613 1.00 0.00 H new ATOM 0 HE ARG A 63 1.259 -6.699 10.024 1.00 0.00 H new ATOM 0 HH11 ARG A 63 4.147 -7.044 12.025 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.288 -8.020 13.221 1.00 0.00 H new ATOM 0 HH21 ARG A 63 0.251 -7.920 11.589 1.00 0.00 H new ATOM 0 HH22 ARG A 63 1.169 -8.496 12.984 1.00 0.00 H new ATOM 953 N LYS A 64 -1.088 -3.081 8.774 1.00 0.00 N ATOM 954 CA LYS A 64 -2.305 -2.453 9.322 1.00 0.00 C ATOM 955 C LYS A 64 -1.967 -1.695 10.612 1.00 0.00 C ATOM 956 O LYS A 64 -1.380 -2.270 11.532 1.00 0.00 O ATOM 957 CB LYS A 64 -3.379 -3.532 9.563 1.00 0.00 C ATOM 958 CG LYS A 64 -3.867 -4.171 8.250 1.00 0.00 C ATOM 959 CD LYS A 64 -4.760 -5.397 8.490 1.00 0.00 C ATOM 960 CE LYS A 64 -5.551 -5.821 7.239 1.00 0.00 C ATOM 961 NZ LYS A 64 -4.683 -6.165 6.077 1.00 0.00 N ATOM 0 H LYS A 64 -1.151 -4.099 8.747 1.00 0.00 H new ATOM 0 HA LYS A 64 -2.703 -1.732 8.608 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -2.973 -4.307 10.213 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.226 -3.088 10.086 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -4.420 -3.430 7.672 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -3.006 -4.465 7.650 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -4.141 -6.231 8.821 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -5.459 -5.178 9.298 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.173 -6.682 7.486 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.224 -5.013 6.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -5.277 -6.458 5.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -4.120 -5.334 5.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.046 -6.944 6.338 1.00 0.00 H new ATOM 975 N ALA A 65 -2.291 -0.402 10.666 1.00 0.00 N ATOM 976 CA ALA A 65 -2.132 0.431 11.859 1.00 0.00 C ATOM 977 C ALA A 65 -3.145 0.039 12.958 1.00 0.00 C ATOM 978 O ALA A 65 -4.085 -0.726 12.714 1.00 0.00 O ATOM 979 CB ALA A 65 -2.280 1.906 11.453 1.00 0.00 C ATOM 0 H ALA A 65 -2.677 0.104 9.869 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.140 0.273 12.283 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.164 2.539 12.333 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.515 2.160 10.720 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.267 2.067 11.018 1.00 0.00 H new ATOM 985 N LEU A 66 -2.971 0.574 14.171 1.00 0.00 N ATOM 986 CA LEU A 66 -3.851 0.303 15.312 1.00 0.00 C ATOM 987 C LEU A 66 -3.880 1.482 16.303 1.00 0.00 C ATOM 988 O LEU A 66 -2.851 1.839 16.882 1.00 0.00 O ATOM 989 CB LEU A 66 -3.396 -1.006 15.998 1.00 0.00 C ATOM 990 CG LEU A 66 -4.577 -1.749 16.657 1.00 0.00 C ATOM 991 CD1 LEU A 66 -4.917 -3.020 15.873 1.00 0.00 C ATOM 992 CD2 LEU A 66 -4.267 -2.135 18.102 1.00 0.00 C ATOM 0 H LEU A 66 -2.207 1.214 14.390 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.873 0.182 14.952 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.923 -1.656 15.262 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.643 -0.778 16.753 1.00 0.00 H new ATOM 0 HG LEU A 66 -5.426 -1.065 16.649 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.752 -3.531 16.352 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -5.192 -2.755 14.852 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -4.050 -3.680 15.856 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -5.123 -2.656 18.531 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.395 -2.789 18.125 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.061 -1.236 18.683 1.00 0.00 H new ATOM 1004 N ALA A 67 -5.045 2.113 16.478 1.00 0.00 N ATOM 1005 CA ALA A 67 -5.249 3.183 17.463 1.00 0.00 C ATOM 1006 C ALA A 67 -5.271 2.647 18.921 1.00 0.00 C ATOM 1007 O ALA A 67 -5.560 1.463 19.138 1.00 0.00 O ATOM 1008 CB ALA A 67 -6.552 3.919 17.108 1.00 0.00 C ATOM 0 H ALA A 67 -5.881 1.895 15.936 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.408 3.875 17.420 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.725 4.720 17.827 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.470 4.342 16.107 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.386 3.218 17.138 1.00 0.00 H new ATOM 1014 N PRO A 68 -5.002 3.501 19.931 1.00 0.00 N ATOM 1015 CA PRO A 68 -5.056 3.135 21.349 1.00 0.00 C ATOM 1016 C PRO A 68 -6.502 2.894 21.822 1.00 0.00 C ATOM 1017 O PRO A 68 -7.308 3.825 21.901 1.00 0.00 O ATOM 1018 CB PRO A 68 -4.375 4.291 22.094 1.00 0.00 C ATOM 1019 CG PRO A 68 -4.613 5.497 21.187 1.00 0.00 C ATOM 1020 CD PRO A 68 -4.569 4.888 19.788 1.00 0.00 C ATOM 0 HA PRO A 68 -4.546 2.192 21.544 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -4.809 4.441 23.082 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -3.311 4.103 22.239 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -5.573 5.972 21.390 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -3.846 6.260 21.320 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -5.224 5.431 19.107 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -3.563 4.940 19.373 1.00 0.00 H new ATOM 1028 N GLU A 69 -6.843 1.640 22.126 1.00 0.00 N ATOM 1029 CA GLU A 69 -8.161 1.217 22.630 1.00 0.00 C ATOM 1030 C GLU A 69 -8.018 0.065 23.646 1.00 0.00 C ATOM 1031 O GLU A 69 -7.772 -1.088 23.276 1.00 0.00 O ATOM 1032 CB GLU A 69 -9.096 0.846 21.452 1.00 0.00 C ATOM 1033 CG GLU A 69 -10.308 1.778 21.328 1.00 0.00 C ATOM 1034 CD GLU A 69 -11.303 1.610 22.495 1.00 0.00 C ATOM 1035 OE1 GLU A 69 -11.159 2.310 23.527 1.00 0.00 O ATOM 1036 OE2 GLU A 69 -12.252 0.796 22.377 1.00 0.00 O ATOM 0 H GLU A 69 -6.191 0.862 22.027 1.00 0.00 H new ATOM 0 HA GLU A 69 -8.619 2.052 23.160 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.528 0.874 20.522 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.445 -0.178 21.582 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.965 2.812 21.293 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.820 1.580 20.386 1.00 0.00 H new ATOM 1043 N GLU A 70 -8.113 0.384 24.943 1.00 0.00 N ATOM 1044 CA GLU A 70 -8.049 -0.576 26.069 1.00 0.00 C ATOM 1045 C GLU A 70 -9.344 -1.396 26.281 1.00 0.00 C ATOM 1046 O GLU A 70 -10.446 -0.933 25.906 1.00 0.00 O ATOM 1047 CB GLU A 70 -7.671 0.148 27.374 1.00 0.00 C ATOM 1048 CG GLU A 70 -6.368 0.970 27.302 1.00 0.00 C ATOM 1049 CD GLU A 70 -6.644 2.492 27.323 1.00 0.00 C ATOM 1050 OE1 GLU A 70 -6.810 3.069 28.427 1.00 0.00 O ATOM 1051 OE2 GLU A 70 -6.689 3.129 26.241 1.00 0.00 O ATOM 1052 OXT GLU A 70 -9.249 -2.509 26.849 1.00 0.00 O ATOM 0 H GLU A 70 -8.241 1.347 25.255 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.275 -1.293 25.795 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.488 0.812 27.655 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.574 -0.592 28.169 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.725 0.706 28.142 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -5.826 0.712 26.392 1.00 0.00 H new TER 1059 GLU A 70