USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 746 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= 0.177 K(o=0.18,f=-1.6!) USER MOD Single : A 6 HIS : no HD1:sc= -1.27! C(o=-1.3!,f=-2.4!) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 1.07 K(o=1.1,f=-3.4!) USER MOD Single : A 56 GLN : amide:sc= 0.135 X(o=0.13,f=-0.15) USER MOD Single : A 64 HIS : no HD1:sc= -0.027 X(o=-0.027,f=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.349 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ -160:sc= 1.32 (180deg=0.706) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl -137:sc= -1.85 (180deg=-5.27!) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 HIS : no HD1:sc= 0.229 K(o=0.23,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.655 -21.231 -85.274 1.00 0.00 N ATOM 2 CA MET A 1 4.573 -20.777 -84.180 1.00 0.00 C ATOM 3 C MET A 1 4.207 -19.352 -83.731 1.00 0.00 C ATOM 4 O MET A 1 4.209 -18.432 -84.551 1.00 0.00 O ATOM 5 CB MET A 1 6.066 -20.837 -84.590 1.00 0.00 C ATOM 6 CG MET A 1 6.600 -22.261 -84.820 1.00 0.00 C ATOM 7 SD MET A 1 8.362 -22.317 -85.260 1.00 0.00 S ATOM 8 CE MET A 1 8.561 -24.105 -85.506 1.00 0.00 C ATOM 0 H1 MET A 1 3.914 -22.195 -85.567 1.00 0.00 H new ATOM 0 H2 MET A 1 2.674 -21.226 -84.928 1.00 0.00 H new ATOM 0 H3 MET A 1 3.739 -20.588 -86.087 1.00 0.00 H new ATOM 0 HA MET A 1 4.439 -21.469 -83.348 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.204 -20.257 -85.503 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.664 -20.358 -83.815 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.441 -22.850 -83.916 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.021 -22.733 -85.614 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.593 -24.321 -85.784 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.317 -24.629 -84.582 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.894 -24.440 -86.300 1.00 0.00 H new ATOM 20 N ARG A 2 3.875 -19.163 -82.443 1.00 0.00 N ATOM 21 CA ARG A 2 3.506 -17.866 -81.818 1.00 0.00 C ATOM 22 C ARG A 2 4.102 -17.721 -80.405 1.00 0.00 C ATOM 23 O ARG A 2 4.566 -18.698 -79.815 1.00 0.00 O ATOM 24 CB ARG A 2 1.967 -17.722 -81.760 1.00 0.00 C ATOM 25 CG ARG A 2 1.302 -17.622 -83.144 1.00 0.00 C ATOM 26 CD ARG A 2 -0.177 -17.221 -83.055 1.00 0.00 C ATOM 27 NE ARG A 2 -0.999 -18.243 -82.373 1.00 0.00 N ATOM 28 CZ ARG A 2 -2.266 -18.121 -82.010 1.00 0.00 C ATOM 29 NH1 ARG A 2 -2.952 -17.036 -82.238 1.00 0.00 N ATOM 30 NH2 ARG A 2 -2.876 -19.100 -81.403 1.00 0.00 N ATOM 0 H ARG A 2 3.853 -19.935 -81.776 1.00 0.00 H new ATOM 0 HA ARG A 2 3.923 -17.072 -82.437 1.00 0.00 H new ATOM 0 HB2 ARG A 2 1.551 -18.577 -81.228 1.00 0.00 H new ATOM 0 HB3 ARG A 2 1.716 -16.833 -81.181 1.00 0.00 H new ATOM 0 HG2 ARG A 2 1.838 -16.891 -83.750 1.00 0.00 H new ATOM 0 HG3 ARG A 2 1.385 -18.582 -83.654 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -0.262 -16.275 -82.521 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -0.567 -17.056 -84.059 1.00 0.00 H new ATOM 0 HE ARG A 2 -0.544 -19.131 -82.161 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -2.514 -16.245 -82.711 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -3.927 -16.978 -81.944 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -2.377 -19.967 -81.205 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -3.852 -18.999 -81.126 1.00 0.00 H new ATOM 44 N GLY A 3 4.047 -16.506 -79.851 1.00 0.00 N ATOM 45 CA GLY A 3 4.355 -16.225 -78.437 1.00 0.00 C ATOM 46 C GLY A 3 5.839 -16.021 -78.100 1.00 0.00 C ATOM 47 O GLY A 3 6.211 -16.096 -76.926 1.00 0.00 O ATOM 0 H GLY A 3 3.783 -15.673 -80.378 1.00 0.00 H new ATOM 0 HA2 GLY A 3 3.808 -15.331 -78.137 1.00 0.00 H new ATOM 0 HA3 GLY A 3 3.975 -17.048 -77.832 1.00 0.00 H new ATOM 51 N SER A 4 6.694 -15.764 -79.096 1.00 0.00 N ATOM 52 CA SER A 4 8.112 -15.416 -78.894 1.00 0.00 C ATOM 53 C SER A 4 8.292 -14.024 -78.258 1.00 0.00 C ATOM 54 O SER A 4 7.467 -13.121 -78.439 1.00 0.00 O ATOM 55 CB SER A 4 8.889 -15.530 -80.214 1.00 0.00 C ATOM 56 OG SER A 4 8.298 -14.736 -81.236 1.00 0.00 O ATOM 0 H SER A 4 6.421 -15.791 -80.078 1.00 0.00 H new ATOM 0 HA SER A 4 8.524 -16.135 -78.186 1.00 0.00 H new ATOM 0 HB2 SER A 4 9.921 -15.216 -80.058 1.00 0.00 H new ATOM 0 HB3 SER A 4 8.918 -16.572 -80.532 1.00 0.00 H new ATOM 0 HG SER A 4 8.816 -14.828 -82.063 1.00 0.00 H new ATOM 62 N HIS A 5 9.373 -13.845 -77.490 1.00 0.00 N ATOM 63 CA HIS A 5 9.639 -12.624 -76.710 1.00 0.00 C ATOM 64 C HIS A 5 10.241 -11.476 -77.539 1.00 0.00 C ATOM 65 O HIS A 5 9.878 -10.318 -77.317 1.00 0.00 O ATOM 66 CB HIS A 5 10.546 -12.975 -75.519 1.00 0.00 C ATOM 67 CG HIS A 5 11.920 -13.474 -75.912 1.00 0.00 C ATOM 68 ND1 HIS A 5 12.196 -14.705 -76.520 1.00 0.00 N ATOM 69 CD2 HIS A 5 13.087 -12.780 -75.775 1.00 0.00 C ATOM 70 CE1 HIS A 5 13.525 -14.723 -76.727 1.00 0.00 C ATOM 71 NE2 HIS A 5 14.084 -13.580 -76.290 1.00 0.00 N ATOM 0 H HIS A 5 10.100 -14.553 -77.389 1.00 0.00 H new ATOM 0 HA HIS A 5 8.678 -12.250 -76.357 1.00 0.00 H new ATOM 0 HB2 HIS A 5 10.659 -12.092 -74.890 1.00 0.00 H new ATOM 0 HB3 HIS A 5 10.054 -13.737 -74.914 1.00 0.00 H new ATOM 0 HD2 HIS A 5 13.206 -11.796 -75.347 1.00 0.00 H new ATOM 0 HE1 HIS A 5 14.067 -15.540 -77.180 1.00 0.00 H new ATOM 0 HE2 HIS A 5 15.076 -13.346 -76.333 1.00 0.00 H new ATOM 79 N HIS A 6 11.121 -11.803 -78.500 1.00 0.00 N ATOM 80 CA HIS A 6 11.914 -10.873 -79.329 1.00 0.00 C ATOM 81 C HIS A 6 12.798 -9.875 -78.537 1.00 0.00 C ATOM 82 O HIS A 6 12.757 -9.786 -77.307 1.00 0.00 O ATOM 83 CB HIS A 6 10.995 -10.200 -80.370 1.00 0.00 C ATOM 84 CG HIS A 6 11.733 -9.455 -81.459 1.00 0.00 C ATOM 85 ND1 HIS A 6 12.811 -9.957 -82.196 1.00 0.00 N ATOM 86 CD2 HIS A 6 11.532 -8.153 -81.813 1.00 0.00 C ATOM 87 CE1 HIS A 6 13.213 -8.955 -82.998 1.00 0.00 C ATOM 88 NE2 HIS A 6 12.465 -7.859 -82.783 1.00 0.00 N ATOM 0 H HIS A 6 11.310 -12.777 -78.734 1.00 0.00 H new ATOM 0 HA HIS A 6 12.659 -11.469 -79.856 1.00 0.00 H new ATOM 0 HB2 HIS A 6 10.366 -10.962 -80.829 1.00 0.00 H new ATOM 0 HB3 HIS A 6 10.331 -9.505 -79.856 1.00 0.00 H new ATOM 0 HD2 HIS A 6 10.786 -7.483 -81.411 1.00 0.00 H new ATOM 0 HE1 HIS A 6 14.021 -9.021 -83.712 1.00 0.00 H new ATOM 0 HE2 HIS A 6 12.570 -6.962 -83.257 1.00 0.00 H new ATOM 96 N HIS A 7 13.641 -9.122 -79.252 1.00 0.00 N ATOM 97 CA HIS A 7 14.617 -8.159 -78.715 1.00 0.00 C ATOM 98 C HIS A 7 13.998 -6.794 -78.337 1.00 0.00 C ATOM 99 O HIS A 7 14.579 -5.732 -78.580 1.00 0.00 O ATOM 100 CB HIS A 7 15.804 -8.054 -79.687 1.00 0.00 C ATOM 101 CG HIS A 7 16.501 -9.376 -79.916 1.00 0.00 C ATOM 102 ND1 HIS A 7 17.198 -10.109 -78.948 1.00 0.00 N ATOM 103 CD2 HIS A 7 16.529 -10.066 -81.094 1.00 0.00 C ATOM 104 CE1 HIS A 7 17.631 -11.221 -79.569 1.00 0.00 C ATOM 105 NE2 HIS A 7 17.243 -11.221 -80.856 1.00 0.00 N ATOM 0 H HIS A 7 13.665 -9.168 -80.271 1.00 0.00 H new ATOM 0 HA HIS A 7 14.986 -8.536 -77.761 1.00 0.00 H new ATOM 0 HB2 HIS A 7 15.451 -7.666 -80.642 1.00 0.00 H new ATOM 0 HB3 HIS A 7 16.523 -7.334 -79.297 1.00 0.00 H new ATOM 0 HD2 HIS A 7 16.080 -9.766 -82.029 1.00 0.00 H new ATOM 0 HE1 HIS A 7 18.209 -12.003 -79.100 1.00 0.00 H new ATOM 0 HE2 HIS A 7 17.443 -11.951 -81.540 1.00 0.00 H new ATOM 113 N HIS A 8 12.793 -6.813 -77.759 1.00 0.00 N ATOM 114 CA HIS A 8 12.126 -5.637 -77.182 1.00 0.00 C ATOM 115 C HIS A 8 12.783 -5.184 -75.863 1.00 0.00 C ATOM 116 O HIS A 8 13.458 -5.963 -75.185 1.00 0.00 O ATOM 117 CB HIS A 8 10.631 -5.930 -76.975 1.00 0.00 C ATOM 118 CG HIS A 8 9.823 -5.915 -78.253 1.00 0.00 C ATOM 119 ND1 HIS A 8 9.259 -7.028 -78.884 1.00 0.00 N ATOM 120 CD2 HIS A 8 9.479 -4.794 -78.953 1.00 0.00 C ATOM 121 CE1 HIS A 8 8.590 -6.552 -79.948 1.00 0.00 C ATOM 122 NE2 HIS A 8 8.710 -5.214 -80.017 1.00 0.00 N ATOM 0 H HIS A 8 12.239 -7.666 -77.676 1.00 0.00 H new ATOM 0 HA HIS A 8 12.235 -4.814 -77.888 1.00 0.00 H new ATOM 0 HB2 HIS A 8 10.524 -6.905 -76.500 1.00 0.00 H new ATOM 0 HB3 HIS A 8 10.218 -5.193 -76.286 1.00 0.00 H new ATOM 0 HD2 HIS A 8 9.756 -3.777 -78.719 1.00 0.00 H new ATOM 0 HE1 HIS A 8 8.035 -7.158 -80.649 1.00 0.00 H new ATOM 0 HE2 HIS A 8 8.302 -4.613 -80.733 1.00 0.00 H new ATOM 130 N HIS A 9 12.555 -3.914 -75.495 1.00 0.00 N ATOM 131 CA HIS A 9 13.051 -3.271 -74.260 1.00 0.00 C ATOM 132 C HIS A 9 14.588 -3.230 -74.110 1.00 0.00 C ATOM 133 O HIS A 9 15.107 -3.081 -73.000 1.00 0.00 O ATOM 134 CB HIS A 9 12.325 -3.844 -73.024 1.00 0.00 C ATOM 135 CG HIS A 9 10.819 -3.896 -73.158 1.00 0.00 C ATOM 136 ND1 HIS A 9 10.047 -5.061 -73.251 1.00 0.00 N ATOM 137 CD2 HIS A 9 9.990 -2.813 -73.224 1.00 0.00 C ATOM 138 CE1 HIS A 9 8.772 -4.650 -73.372 1.00 0.00 C ATOM 139 NE2 HIS A 9 8.709 -3.307 -73.358 1.00 0.00 N ATOM 0 H HIS A 9 11.999 -3.279 -76.069 1.00 0.00 H new ATOM 0 HA HIS A 9 12.795 -2.215 -74.344 1.00 0.00 H new ATOM 0 HB2 HIS A 9 12.696 -4.851 -72.833 1.00 0.00 H new ATOM 0 HB3 HIS A 9 12.580 -3.239 -72.154 1.00 0.00 H new ATOM 0 HD2 HIS A 9 10.280 -1.774 -73.180 1.00 0.00 H new ATOM 0 HE1 HIS A 9 7.919 -5.306 -73.467 1.00 0.00 H new ATOM 0 HE2 HIS A 9 7.859 -2.749 -73.434 1.00 0.00 H new ATOM 147 N HIS A 10 15.325 -3.330 -75.224 1.00 0.00 N ATOM 148 CA HIS A 10 16.787 -3.176 -75.295 1.00 0.00 C ATOM 149 C HIS A 10 17.190 -1.779 -75.804 1.00 0.00 C ATOM 150 O HIS A 10 16.459 -1.150 -76.575 1.00 0.00 O ATOM 151 CB HIS A 10 17.395 -4.281 -76.177 1.00 0.00 C ATOM 152 CG HIS A 10 17.195 -5.707 -75.699 1.00 0.00 C ATOM 153 ND1 HIS A 10 17.342 -6.843 -76.503 1.00 0.00 N ATOM 154 CD2 HIS A 10 16.902 -6.113 -74.426 1.00 0.00 C ATOM 155 CE1 HIS A 10 17.117 -7.900 -75.704 1.00 0.00 C ATOM 156 NE2 HIS A 10 16.851 -7.491 -74.452 1.00 0.00 N ATOM 0 H HIS A 10 14.907 -3.527 -76.133 1.00 0.00 H new ATOM 0 HA HIS A 10 17.185 -3.275 -74.285 1.00 0.00 H new ATOM 0 HB2 HIS A 10 16.971 -4.193 -77.177 1.00 0.00 H new ATOM 0 HB3 HIS A 10 18.466 -4.097 -76.267 1.00 0.00 H new ATOM 0 HD2 HIS A 10 16.742 -5.478 -73.567 1.00 0.00 H new ATOM 0 HE1 HIS A 10 17.146 -8.931 -76.023 1.00 0.00 H new ATOM 0 HE2 HIS A 10 16.646 -8.096 -73.657 1.00 0.00 H new ATOM 164 N GLY A 11 18.374 -1.306 -75.399 1.00 0.00 N ATOM 165 CA GLY A 11 18.906 0.019 -75.756 1.00 0.00 C ATOM 166 C GLY A 11 18.243 1.197 -75.018 1.00 0.00 C ATOM 167 O GLY A 11 17.339 1.020 -74.195 1.00 0.00 O ATOM 0 H GLY A 11 19.004 -1.842 -74.802 1.00 0.00 H new ATOM 0 HA2 GLY A 11 19.976 0.034 -75.549 1.00 0.00 H new ATOM 0 HA3 GLY A 11 18.787 0.167 -76.829 1.00 0.00 H new ATOM 171 N SER A 28 18.722 2.411 -75.305 1.00 0.00 N ATOM 172 CA SER A 28 18.244 3.681 -74.727 1.00 0.00 C ATOM 173 C SER A 28 18.516 4.872 -75.667 1.00 0.00 C ATOM 174 O SER A 28 19.256 4.744 -76.649 1.00 0.00 O ATOM 175 CB SER A 28 18.923 3.904 -73.367 1.00 0.00 C ATOM 176 OG SER A 28 18.271 4.940 -72.643 1.00 0.00 O ATOM 0 H SER A 28 19.482 2.547 -75.971 1.00 0.00 H new ATOM 0 HA SER A 28 17.164 3.616 -74.594 1.00 0.00 H new ATOM 0 HB2 SER A 28 18.902 2.980 -72.789 1.00 0.00 H new ATOM 0 HB3 SER A 28 19.971 4.162 -73.516 1.00 0.00 H new ATOM 0 HG SER A 28 18.717 5.066 -71.779 1.00 0.00 H new ATOM 182 N VAL A 29 17.928 6.037 -75.372 1.00 0.00 N ATOM 183 CA VAL A 29 18.135 7.306 -76.096 1.00 0.00 C ATOM 184 C VAL A 29 18.188 8.500 -75.129 1.00 0.00 C ATOM 185 O VAL A 29 17.424 8.573 -74.163 1.00 0.00 O ATOM 186 CB VAL A 29 17.078 7.489 -77.210 1.00 0.00 C ATOM 187 CG1 VAL A 29 15.637 7.607 -76.694 1.00 0.00 C ATOM 188 CG2 VAL A 29 17.382 8.699 -78.100 1.00 0.00 C ATOM 0 H VAL A 29 17.272 6.130 -74.597 1.00 0.00 H new ATOM 0 HA VAL A 29 19.107 7.263 -76.588 1.00 0.00 H new ATOM 0 HB VAL A 29 17.148 6.571 -77.794 1.00 0.00 H new ATOM 0 HG11 VAL A 29 14.958 7.733 -77.537 1.00 0.00 H new ATOM 0 HG12 VAL A 29 15.372 6.703 -76.146 1.00 0.00 H new ATOM 0 HG13 VAL A 29 15.557 8.469 -76.032 1.00 0.00 H new ATOM 0 HG21 VAL A 29 16.614 8.788 -78.868 1.00 0.00 H new ATOM 0 HG22 VAL A 29 17.394 9.604 -77.492 1.00 0.00 H new ATOM 0 HG23 VAL A 29 18.355 8.567 -78.574 1.00 0.00 H new ATOM 198 N SER A 30 19.105 9.435 -75.389 1.00 0.00 N ATOM 199 CA SER A 30 19.327 10.662 -74.607 1.00 0.00 C ATOM 200 C SER A 30 19.948 11.777 -75.466 1.00 0.00 C ATOM 201 O SER A 30 20.497 11.516 -76.543 1.00 0.00 O ATOM 202 CB SER A 30 20.221 10.367 -73.390 1.00 0.00 C ATOM 203 OG SER A 30 21.493 9.864 -73.783 1.00 0.00 O ATOM 0 H SER A 30 19.742 9.358 -76.182 1.00 0.00 H new ATOM 0 HA SER A 30 18.355 11.012 -74.259 1.00 0.00 H new ATOM 0 HB2 SER A 30 20.354 11.278 -72.806 1.00 0.00 H new ATOM 0 HB3 SER A 30 19.727 9.643 -72.742 1.00 0.00 H new ATOM 0 HG SER A 30 22.036 9.689 -72.986 1.00 0.00 H new ATOM 209 N PHE A 31 19.860 13.028 -74.992 1.00 0.00 N ATOM 210 CA PHE A 31 20.354 14.224 -75.692 1.00 0.00 C ATOM 211 C PHE A 31 21.160 15.133 -74.748 1.00 0.00 C ATOM 212 O PHE A 31 20.719 15.435 -73.634 1.00 0.00 O ATOM 213 CB PHE A 31 19.170 14.976 -76.327 1.00 0.00 C ATOM 214 CG PHE A 31 18.337 14.135 -77.282 1.00 0.00 C ATOM 215 CD1 PHE A 31 18.771 13.929 -78.606 1.00 0.00 C ATOM 216 CD2 PHE A 31 17.144 13.531 -76.839 1.00 0.00 C ATOM 217 CE1 PHE A 31 18.017 13.123 -79.480 1.00 0.00 C ATOM 218 CE2 PHE A 31 16.392 12.723 -77.712 1.00 0.00 C ATOM 219 CZ PHE A 31 16.830 12.518 -79.033 1.00 0.00 C ATOM 0 H PHE A 31 19.434 13.242 -74.090 1.00 0.00 H new ATOM 0 HA PHE A 31 21.034 13.912 -76.485 1.00 0.00 H new ATOM 0 HB2 PHE A 31 18.524 15.351 -75.533 1.00 0.00 H new ATOM 0 HB3 PHE A 31 19.552 15.844 -76.864 1.00 0.00 H new ATOM 0 HD1 PHE A 31 19.684 14.390 -78.952 1.00 0.00 H new ATOM 0 HD2 PHE A 31 16.805 13.689 -75.826 1.00 0.00 H new ATOM 0 HE1 PHE A 31 18.351 12.969 -80.495 1.00 0.00 H new ATOM 0 HE2 PHE A 31 15.479 12.260 -77.368 1.00 0.00 H new ATOM 0 HZ PHE A 31 16.255 11.896 -79.703 1.00 0.00 H new ATOM 229 N GLY A 32 22.341 15.576 -75.199 1.00 0.00 N ATOM 230 CA GLY A 32 23.315 16.328 -74.392 1.00 0.00 C ATOM 231 C GLY A 32 24.049 15.481 -73.336 1.00 0.00 C ATOM 232 O GLY A 32 23.648 14.356 -73.019 1.00 0.00 O ATOM 0 H GLY A 32 22.654 15.419 -76.157 1.00 0.00 H new ATOM 0 HA2 GLY A 32 24.052 16.777 -75.058 1.00 0.00 H new ATOM 0 HA3 GLY A 32 22.799 17.147 -73.890 1.00 0.00 H new ATOM 236 N ALA A 33 25.146 16.026 -72.795 1.00 0.00 N ATOM 237 CA ALA A 33 25.960 15.397 -71.744 1.00 0.00 C ATOM 238 C ALA A 33 26.592 16.428 -70.767 1.00 0.00 C ATOM 239 O ALA A 33 27.820 16.456 -70.610 1.00 0.00 O ATOM 240 CB ALA A 33 26.998 14.490 -72.430 1.00 0.00 C ATOM 0 H ALA A 33 25.502 16.938 -73.082 1.00 0.00 H new ATOM 0 HA ALA A 33 25.322 14.790 -71.101 1.00 0.00 H new ATOM 0 HB1 ALA A 33 27.618 14.009 -71.673 1.00 0.00 H new ATOM 0 HB2 ALA A 33 26.484 13.728 -73.016 1.00 0.00 H new ATOM 0 HB3 ALA A 33 27.628 15.090 -73.087 1.00 0.00 H new ATOM 246 N PRO A 34 25.796 17.309 -70.121 1.00 0.00 N ATOM 247 CA PRO A 34 26.309 18.316 -69.187 1.00 0.00 C ATOM 248 C PRO A 34 26.900 17.686 -67.912 1.00 0.00 C ATOM 249 O PRO A 34 26.360 16.718 -67.368 1.00 0.00 O ATOM 250 CB PRO A 34 25.115 19.225 -68.873 1.00 0.00 C ATOM 251 CG PRO A 34 23.916 18.288 -69.022 1.00 0.00 C ATOM 252 CD PRO A 34 24.339 17.378 -70.174 1.00 0.00 C ATOM 0 HA PRO A 34 27.136 18.874 -69.626 1.00 0.00 H new ATOM 0 HB2 PRO A 34 25.179 19.641 -67.868 1.00 0.00 H new ATOM 0 HB3 PRO A 34 25.057 20.067 -69.563 1.00 0.00 H new ATOM 0 HG2 PRO A 34 23.728 17.724 -68.109 1.00 0.00 H new ATOM 0 HG3 PRO A 34 23.002 18.835 -69.253 1.00 0.00 H new ATOM 0 HD2 PRO A 34 23.898 16.387 -70.070 1.00 0.00 H new ATOM 0 HD3 PRO A 34 24.002 17.778 -71.130 1.00 0.00 H new ATOM 260 N SER A 35 28.005 18.257 -67.417 1.00 0.00 N ATOM 261 CA SER A 35 28.675 17.838 -66.173 1.00 0.00 C ATOM 262 C SER A 35 29.423 19.024 -65.524 1.00 0.00 C ATOM 263 O SER A 35 30.629 19.194 -65.735 1.00 0.00 O ATOM 264 CB SER A 35 29.606 16.652 -66.468 1.00 0.00 C ATOM 265 OG SER A 35 30.037 16.051 -65.254 1.00 0.00 O ATOM 0 H SER A 35 28.470 19.039 -67.877 1.00 0.00 H new ATOM 0 HA SER A 35 27.929 17.509 -65.450 1.00 0.00 H new ATOM 0 HB2 SER A 35 29.086 15.916 -67.082 1.00 0.00 H new ATOM 0 HB3 SER A 35 30.469 16.992 -67.040 1.00 0.00 H new ATOM 0 HG SER A 35 30.628 15.296 -65.455 1.00 0.00 H new ATOM 271 N PRO A 36 28.715 19.905 -64.782 1.00 0.00 N ATOM 272 CA PRO A 36 29.294 21.108 -64.178 1.00 0.00 C ATOM 273 C PRO A 36 30.088 20.774 -62.899 1.00 0.00 C ATOM 274 O PRO A 36 29.526 20.663 -61.805 1.00 0.00 O ATOM 275 CB PRO A 36 28.097 22.038 -63.937 1.00 0.00 C ATOM 276 CG PRO A 36 26.936 21.076 -63.690 1.00 0.00 C ATOM 277 CD PRO A 36 27.268 19.886 -64.589 1.00 0.00 C ATOM 0 HA PRO A 36 30.031 21.590 -64.820 1.00 0.00 H new ATOM 0 HB2 PRO A 36 28.264 22.692 -63.081 1.00 0.00 H new ATOM 0 HB3 PRO A 36 27.909 22.680 -64.797 1.00 0.00 H new ATOM 0 HG2 PRO A 36 26.872 20.783 -62.642 1.00 0.00 H new ATOM 0 HG3 PRO A 36 25.978 21.525 -63.954 1.00 0.00 H new ATOM 0 HD2 PRO A 36 26.950 18.951 -64.128 1.00 0.00 H new ATOM 0 HD3 PRO A 36 26.748 19.964 -65.544 1.00 0.00 H new ATOM 285 N LEU A 37 31.411 20.612 -63.041 1.00 0.00 N ATOM 286 CA LEU A 37 32.334 20.206 -61.963 1.00 0.00 C ATOM 287 C LEU A 37 33.383 21.276 -61.584 1.00 0.00 C ATOM 288 O LEU A 37 34.160 21.066 -60.650 1.00 0.00 O ATOM 289 CB LEU A 37 33.005 18.873 -62.356 1.00 0.00 C ATOM 290 CG LEU A 37 32.047 17.677 -62.539 1.00 0.00 C ATOM 291 CD1 LEU A 37 32.849 16.452 -62.981 1.00 0.00 C ATOM 292 CD2 LEU A 37 31.303 17.312 -61.251 1.00 0.00 C ATOM 0 H LEU A 37 31.885 20.763 -63.932 1.00 0.00 H new ATOM 0 HA LEU A 37 31.738 20.080 -61.059 1.00 0.00 H new ATOM 0 HB2 LEU A 37 33.554 19.023 -63.286 1.00 0.00 H new ATOM 0 HB3 LEU A 37 33.738 18.616 -61.591 1.00 0.00 H new ATOM 0 HG LEU A 37 31.311 17.972 -63.287 1.00 0.00 H new ATOM 0 HD11 LEU A 37 32.176 15.604 -63.112 1.00 0.00 H new ATOM 0 HD12 LEU A 37 33.350 16.666 -63.925 1.00 0.00 H new ATOM 0 HD13 LEU A 37 33.593 16.211 -62.222 1.00 0.00 H new ATOM 0 HD21 LEU A 37 30.644 16.465 -61.439 1.00 0.00 H new ATOM 0 HD22 LEU A 37 32.024 17.046 -60.477 1.00 0.00 H new ATOM 0 HD23 LEU A 37 30.711 18.165 -60.918 1.00 0.00 H new ATOM 304 N SER A 38 33.420 22.420 -62.280 1.00 0.00 N ATOM 305 CA SER A 38 34.372 23.511 -62.011 1.00 0.00 C ATOM 306 C SER A 38 33.912 24.405 -60.847 1.00 0.00 C ATOM 307 O SER A 38 32.742 24.798 -60.779 1.00 0.00 O ATOM 308 CB SER A 38 34.600 24.342 -63.279 1.00 0.00 C ATOM 309 OG SER A 38 35.656 25.269 -63.072 1.00 0.00 O ATOM 0 H SER A 38 32.785 22.618 -63.053 1.00 0.00 H new ATOM 0 HA SER A 38 35.317 23.057 -61.711 1.00 0.00 H new ATOM 0 HB2 SER A 38 34.841 23.685 -64.115 1.00 0.00 H new ATOM 0 HB3 SER A 38 33.686 24.873 -63.544 1.00 0.00 H new ATOM 0 HG SER A 38 35.795 25.794 -63.888 1.00 0.00 H new ATOM 315 N SER A 39 34.830 24.732 -59.933 1.00 0.00 N ATOM 316 CA SER A 39 34.598 25.584 -58.753 1.00 0.00 C ATOM 317 C SER A 39 35.902 26.198 -58.208 1.00 0.00 C ATOM 318 O SER A 39 37.005 25.737 -58.518 1.00 0.00 O ATOM 319 CB SER A 39 33.897 24.783 -57.641 1.00 0.00 C ATOM 320 OG SER A 39 34.678 23.672 -57.214 1.00 0.00 O ATOM 0 H SER A 39 35.793 24.400 -59.993 1.00 0.00 H new ATOM 0 HA SER A 39 33.956 26.404 -59.076 1.00 0.00 H new ATOM 0 HB2 SER A 39 33.701 25.437 -56.791 1.00 0.00 H new ATOM 0 HB3 SER A 39 32.931 24.430 -58.002 1.00 0.00 H new ATOM 0 HG SER A 39 34.201 23.189 -56.507 1.00 0.00 H new ATOM 326 N GLU A 40 35.777 27.240 -57.378 1.00 0.00 N ATOM 327 CA GLU A 40 36.883 27.877 -56.641 1.00 0.00 C ATOM 328 C GLU A 40 36.532 28.050 -55.150 1.00 0.00 C ATOM 329 O GLU A 40 35.378 28.332 -54.806 1.00 0.00 O ATOM 330 CB GLU A 40 37.236 29.242 -57.260 1.00 0.00 C ATOM 331 CG GLU A 40 37.811 29.176 -58.685 1.00 0.00 C ATOM 332 CD GLU A 40 39.160 28.427 -58.797 1.00 0.00 C ATOM 333 OE1 GLU A 40 39.902 28.300 -57.791 1.00 0.00 O ATOM 334 OE2 GLU A 40 39.516 27.995 -59.922 1.00 0.00 O ATOM 0 H GLU A 40 34.876 27.680 -57.192 1.00 0.00 H new ATOM 0 HA GLU A 40 37.750 27.221 -56.716 1.00 0.00 H new ATOM 0 HB2 GLU A 40 36.339 29.861 -57.274 1.00 0.00 H new ATOM 0 HB3 GLU A 40 37.959 29.742 -56.615 1.00 0.00 H new ATOM 0 HG2 GLU A 40 37.084 28.689 -59.335 1.00 0.00 H new ATOM 0 HG3 GLU A 40 37.941 30.192 -59.058 1.00 0.00 H new ATOM 341 N SER A 41 37.531 27.903 -54.270 1.00 0.00 N ATOM 342 CA SER A 41 37.363 27.874 -52.803 1.00 0.00 C ATOM 343 C SER A 41 38.503 28.584 -52.058 1.00 0.00 C ATOM 344 O SER A 41 39.646 28.600 -52.517 1.00 0.00 O ATOM 345 CB SER A 41 37.286 26.422 -52.299 1.00 0.00 C ATOM 346 OG SER A 41 36.180 25.726 -52.861 1.00 0.00 O ATOM 0 H SER A 41 38.503 27.798 -54.561 1.00 0.00 H new ATOM 0 HA SER A 41 36.435 28.406 -52.595 1.00 0.00 H new ATOM 0 HB2 SER A 41 38.210 25.900 -52.550 1.00 0.00 H new ATOM 0 HB3 SER A 41 37.204 26.418 -51.212 1.00 0.00 H new ATOM 0 HG SER A 41 36.164 24.807 -52.520 1.00 0.00 H new ATOM 352 N GLU A 42 38.191 29.124 -50.871 1.00 0.00 N ATOM 353 CA GLU A 42 39.145 29.711 -49.906 1.00 0.00 C ATOM 354 C GLU A 42 40.022 30.864 -50.454 1.00 0.00 C ATOM 355 O GLU A 42 41.106 31.137 -49.936 1.00 0.00 O ATOM 356 CB GLU A 42 39.957 28.605 -49.199 1.00 0.00 C ATOM 357 CG GLU A 42 39.073 27.587 -48.463 1.00 0.00 C ATOM 358 CD GLU A 42 39.937 26.549 -47.722 1.00 0.00 C ATOM 359 OE1 GLU A 42 40.301 25.510 -48.326 1.00 0.00 O ATOM 360 OE2 GLU A 42 40.254 26.757 -46.524 1.00 0.00 O ATOM 0 H GLU A 42 37.228 29.168 -50.539 1.00 0.00 H new ATOM 0 HA GLU A 42 38.534 30.215 -49.157 1.00 0.00 H new ATOM 0 HB2 GLU A 42 40.567 28.082 -49.936 1.00 0.00 H new ATOM 0 HB3 GLU A 42 40.642 29.064 -48.487 1.00 0.00 H new ATOM 0 HG2 GLU A 42 38.429 28.105 -47.752 1.00 0.00 H new ATOM 0 HG3 GLU A 42 38.421 27.082 -49.176 1.00 0.00 H new ATOM 367 N ASP A 43 39.547 31.579 -51.482 1.00 0.00 N ATOM 368 CA ASP A 43 40.324 32.623 -52.179 1.00 0.00 C ATOM 369 C ASP A 43 40.550 33.905 -51.351 1.00 0.00 C ATOM 370 O ASP A 43 41.505 34.652 -51.580 1.00 0.00 O ATOM 371 CB ASP A 43 39.635 32.932 -53.515 1.00 0.00 C ATOM 372 CG ASP A 43 40.463 33.885 -54.396 1.00 0.00 C ATOM 373 OD1 ASP A 43 41.549 33.478 -54.877 1.00 0.00 O ATOM 374 OD2 ASP A 43 40.012 35.029 -54.647 1.00 0.00 O ATOM 0 H ASP A 43 38.608 31.452 -51.859 1.00 0.00 H new ATOM 0 HA ASP A 43 41.327 32.230 -52.346 1.00 0.00 H new ATOM 0 HB2 ASP A 43 39.461 32.001 -54.055 1.00 0.00 H new ATOM 0 HB3 ASP A 43 38.658 33.376 -53.323 1.00 0.00 H new ATOM 379 N GLU A 44 39.687 34.133 -50.359 1.00 0.00 N ATOM 380 CA GLU A 44 39.699 35.298 -49.451 1.00 0.00 C ATOM 381 C GLU A 44 39.671 34.899 -47.952 1.00 0.00 C ATOM 382 O GLU A 44 39.542 35.750 -47.072 1.00 0.00 O ATOM 383 CB GLU A 44 38.533 36.226 -49.854 1.00 0.00 C ATOM 384 CG GLU A 44 38.728 37.694 -49.449 1.00 0.00 C ATOM 385 CD GLU A 44 37.590 38.571 -50.009 1.00 0.00 C ATOM 386 OE1 GLU A 44 36.513 38.663 -49.369 1.00 0.00 O ATOM 387 OE2 GLU A 44 37.763 39.187 -51.089 1.00 0.00 O ATOM 0 H GLU A 44 38.925 33.487 -50.152 1.00 0.00 H new ATOM 0 HA GLU A 44 40.642 35.834 -49.560 1.00 0.00 H new ATOM 0 HB2 GLU A 44 38.399 36.174 -50.934 1.00 0.00 H new ATOM 0 HB3 GLU A 44 37.614 35.855 -49.400 1.00 0.00 H new ATOM 0 HG2 GLU A 44 38.756 37.776 -48.362 1.00 0.00 H new ATOM 0 HG3 GLU A 44 39.687 38.054 -49.820 1.00 0.00 H new ATOM 394 N ILE A 45 39.786 33.598 -47.642 1.00 0.00 N ATOM 395 CA ILE A 45 39.589 33.042 -46.292 1.00 0.00 C ATOM 396 C ILE A 45 40.930 32.841 -45.569 1.00 0.00 C ATOM 397 O ILE A 45 41.815 32.145 -46.071 1.00 0.00 O ATOM 398 CB ILE A 45 38.767 31.731 -46.359 1.00 0.00 C ATOM 399 CG1 ILE A 45 37.414 31.893 -47.097 1.00 0.00 C ATOM 400 CG2 ILE A 45 38.530 31.148 -44.954 1.00 0.00 C ATOM 401 CD1 ILE A 45 36.447 32.931 -46.506 1.00 0.00 C ATOM 0 H ILE A 45 40.023 32.889 -48.335 1.00 0.00 H new ATOM 0 HA ILE A 45 39.018 33.762 -45.705 1.00 0.00 H new ATOM 0 HB ILE A 45 39.370 31.035 -46.942 1.00 0.00 H new ATOM 0 HG12 ILE A 45 37.618 32.163 -48.133 1.00 0.00 H new ATOM 0 HG13 ILE A 45 36.913 30.925 -47.113 1.00 0.00 H new ATOM 0 HG21 ILE A 45 37.950 30.228 -45.035 1.00 0.00 H new ATOM 0 HG22 ILE A 45 39.489 30.932 -44.483 1.00 0.00 H new ATOM 0 HG23 ILE A 45 37.983 31.870 -44.348 1.00 0.00 H new ATOM 0 HD11 ILE A 45 35.535 32.959 -47.102 1.00 0.00 H new ATOM 0 HD12 ILE A 45 36.202 32.657 -45.480 1.00 0.00 H new ATOM 0 HD13 ILE A 45 36.918 33.914 -46.516 1.00 0.00 H new ATOM 413 N ASN A 46 41.048 33.415 -44.363 1.00 0.00 N ATOM 414 CA ASN A 46 42.153 33.222 -43.407 1.00 0.00 C ATOM 415 C ASN A 46 43.563 33.363 -44.032 1.00 0.00 C ATOM 416 O ASN A 46 44.465 32.566 -43.758 1.00 0.00 O ATOM 417 CB ASN A 46 41.930 31.906 -42.625 1.00 0.00 C ATOM 418 CG ASN A 46 40.654 31.868 -41.790 1.00 0.00 C ATOM 419 OD1 ASN A 46 39.956 32.853 -41.588 1.00 0.00 O ATOM 420 ND2 ASN A 46 40.313 30.716 -41.258 1.00 0.00 N ATOM 0 H ASN A 46 40.341 34.059 -44.008 1.00 0.00 H new ATOM 0 HA ASN A 46 42.131 34.044 -42.692 1.00 0.00 H new ATOM 0 HB2 ASN A 46 41.909 31.078 -43.333 1.00 0.00 H new ATOM 0 HB3 ASN A 46 42.783 31.741 -41.967 1.00 0.00 H new ATOM 0 HD21 ASN A 46 39.473 30.648 -40.683 1.00 0.00 H new ATOM 0 HD22 ASN A 46 40.888 29.889 -41.420 1.00 0.00 H new ATOM 427 N TYR A 47 43.755 34.371 -44.894 1.00 0.00 N ATOM 428 CA TYR A 47 44.955 34.547 -45.728 1.00 0.00 C ATOM 429 C TYR A 47 46.131 35.209 -44.967 1.00 0.00 C ATOM 430 O TYR A 47 46.633 36.270 -45.348 1.00 0.00 O ATOM 431 CB TYR A 47 44.558 35.246 -47.041 1.00 0.00 C ATOM 432 CG TYR A 47 45.590 35.120 -48.150 1.00 0.00 C ATOM 433 CD1 TYR A 47 45.765 33.882 -48.803 1.00 0.00 C ATOM 434 CD2 TYR A 47 46.371 36.229 -48.532 1.00 0.00 C ATOM 435 CE1 TYR A 47 46.723 33.750 -49.828 1.00 0.00 C ATOM 436 CE2 TYR A 47 47.328 36.101 -49.557 1.00 0.00 C ATOM 437 CZ TYR A 47 47.510 34.861 -50.207 1.00 0.00 C ATOM 438 OH TYR A 47 48.440 34.746 -51.196 1.00 0.00 O ATOM 0 H TYR A 47 43.063 35.107 -45.035 1.00 0.00 H new ATOM 0 HA TYR A 47 45.358 33.569 -45.991 1.00 0.00 H new ATOM 0 HB2 TYR A 47 43.613 34.830 -47.390 1.00 0.00 H new ATOM 0 HB3 TYR A 47 44.385 36.303 -46.839 1.00 0.00 H new ATOM 0 HD1 TYR A 47 45.163 33.032 -48.516 1.00 0.00 H new ATOM 0 HD2 TYR A 47 46.235 37.179 -48.037 1.00 0.00 H new ATOM 0 HE1 TYR A 47 46.856 32.800 -50.324 1.00 0.00 H new ATOM 0 HE2 TYR A 47 47.924 36.954 -49.847 1.00 0.00 H new ATOM 0 HH TYR A 47 48.888 35.608 -51.326 1.00 0.00 H new ATOM 448 N MET A 48 46.563 34.554 -43.881 1.00 0.00 N ATOM 449 CA MET A 48 47.645 34.946 -42.957 1.00 0.00 C ATOM 450 C MET A 48 47.441 36.297 -42.227 1.00 0.00 C ATOM 451 O MET A 48 46.508 37.059 -42.495 1.00 0.00 O ATOM 452 CB MET A 48 49.018 34.850 -43.659 1.00 0.00 C ATOM 453 CG MET A 48 49.297 33.451 -44.224 1.00 0.00 C ATOM 454 SD MET A 48 50.949 33.270 -44.953 1.00 0.00 S ATOM 455 CE MET A 48 50.865 31.525 -45.446 1.00 0.00 C ATOM 0 H MET A 48 46.136 33.671 -43.601 1.00 0.00 H new ATOM 0 HA MET A 48 47.613 34.220 -42.145 1.00 0.00 H new ATOM 0 HB2 MET A 48 49.060 35.579 -44.468 1.00 0.00 H new ATOM 0 HB3 MET A 48 49.803 35.115 -42.951 1.00 0.00 H new ATOM 0 HG2 MET A 48 49.180 32.717 -43.426 1.00 0.00 H new ATOM 0 HG3 MET A 48 48.549 33.220 -44.982 1.00 0.00 H new ATOM 0 HE1 MET A 48 51.804 31.234 -45.917 1.00 0.00 H new ATOM 0 HE2 MET A 48 50.694 30.906 -44.565 1.00 0.00 H new ATOM 0 HE3 MET A 48 50.046 31.385 -46.152 1.00 0.00 H new ATOM 465 N THR A 49 48.320 36.573 -41.256 1.00 0.00 N ATOM 466 CA THR A 49 48.339 37.781 -40.403 1.00 0.00 C ATOM 467 C THR A 49 49.773 38.318 -40.224 1.00 0.00 C ATOM 468 O THR A 49 50.733 37.544 -40.335 1.00 0.00 O ATOM 469 CB THR A 49 47.726 37.499 -39.014 1.00 0.00 C ATOM 470 OG1 THR A 49 48.301 36.347 -38.424 1.00 0.00 O ATOM 471 CG2 THR A 49 46.213 37.280 -39.085 1.00 0.00 C ATOM 0 H THR A 49 49.079 35.931 -41.027 1.00 0.00 H new ATOM 0 HA THR A 49 47.737 38.534 -40.911 1.00 0.00 H new ATOM 0 HB THR A 49 47.938 38.382 -38.410 1.00 0.00 H new ATOM 0 HG1 THR A 49 47.896 36.193 -37.545 1.00 0.00 H new ATOM 0 HG21 THR A 49 45.826 37.085 -38.085 1.00 0.00 H new ATOM 0 HG22 THR A 49 45.735 38.171 -39.492 1.00 0.00 H new ATOM 0 HG23 THR A 49 45.999 36.427 -39.729 1.00 0.00 H new ATOM 479 N PRO A 50 49.961 39.629 -39.954 1.00 0.00 N ATOM 480 CA PRO A 50 51.284 40.209 -39.709 1.00 0.00 C ATOM 481 C PRO A 50 51.907 39.713 -38.382 1.00 0.00 C ATOM 482 O PRO A 50 51.171 39.390 -37.439 1.00 0.00 O ATOM 483 CB PRO A 50 51.072 41.727 -39.711 1.00 0.00 C ATOM 484 CG PRO A 50 49.625 41.879 -39.246 1.00 0.00 C ATOM 485 CD PRO A 50 48.938 40.666 -39.872 1.00 0.00 C ATOM 0 HA PRO A 50 51.995 39.904 -40.476 1.00 0.00 H new ATOM 0 HB2 PRO A 50 51.766 42.231 -39.038 1.00 0.00 H new ATOM 0 HB3 PRO A 50 51.223 42.153 -40.703 1.00 0.00 H new ATOM 0 HG2 PRO A 50 49.547 41.872 -38.159 1.00 0.00 H new ATOM 0 HG3 PRO A 50 49.186 42.815 -39.591 1.00 0.00 H new ATOM 0 HD2 PRO A 50 48.095 40.337 -39.264 1.00 0.00 H new ATOM 0 HD3 PRO A 50 48.544 40.906 -40.860 1.00 0.00 H new ATOM 493 N PRO A 51 53.250 39.665 -38.274 1.00 0.00 N ATOM 494 CA PRO A 51 53.947 39.187 -37.078 1.00 0.00 C ATOM 495 C PRO A 51 53.801 40.149 -35.886 1.00 0.00 C ATOM 496 O PRO A 51 53.847 41.374 -36.034 1.00 0.00 O ATOM 497 CB PRO A 51 55.409 39.011 -37.499 1.00 0.00 C ATOM 498 CG PRO A 51 55.580 40.047 -38.610 1.00 0.00 C ATOM 499 CD PRO A 51 54.216 40.039 -39.300 1.00 0.00 C ATOM 0 HA PRO A 51 53.517 38.250 -36.723 1.00 0.00 H new ATOM 0 HB2 PRO A 51 56.092 39.194 -36.669 1.00 0.00 H new ATOM 0 HB3 PRO A 51 55.606 38.000 -37.857 1.00 0.00 H new ATOM 0 HG2 PRO A 51 55.824 41.031 -38.210 1.00 0.00 H new ATOM 0 HG3 PRO A 51 56.381 39.774 -39.297 1.00 0.00 H new ATOM 0 HD2 PRO A 51 53.983 41.019 -39.716 1.00 0.00 H new ATOM 0 HD3 PRO A 51 54.201 39.329 -40.127 1.00 0.00 H new ATOM 507 N GLU A 52 53.649 39.590 -34.687 1.00 0.00 N ATOM 508 CA GLU A 52 53.459 40.325 -33.436 1.00 0.00 C ATOM 509 C GLU A 52 54.760 40.986 -32.946 1.00 0.00 C ATOM 510 O GLU A 52 55.808 40.345 -32.835 1.00 0.00 O ATOM 511 CB GLU A 52 52.895 39.402 -32.340 1.00 0.00 C ATOM 512 CG GLU A 52 51.614 38.642 -32.725 1.00 0.00 C ATOM 513 CD GLU A 52 51.898 37.198 -33.204 1.00 0.00 C ATOM 514 OE1 GLU A 52 52.674 36.998 -34.171 1.00 0.00 O ATOM 515 OE2 GLU A 52 51.335 36.243 -32.613 1.00 0.00 O ATOM 0 H GLU A 52 53.655 38.579 -34.554 1.00 0.00 H new ATOM 0 HA GLU A 52 52.741 41.118 -33.643 1.00 0.00 H new ATOM 0 HB2 GLU A 52 53.662 38.677 -32.067 1.00 0.00 H new ATOM 0 HB3 GLU A 52 52.691 40.000 -31.452 1.00 0.00 H new ATOM 0 HG2 GLU A 52 50.943 38.610 -31.866 1.00 0.00 H new ATOM 0 HG3 GLU A 52 51.096 39.187 -33.514 1.00 0.00 H new ATOM 522 N GLN A 53 54.673 42.273 -32.604 1.00 0.00 N ATOM 523 CA GLN A 53 55.814 43.104 -32.190 1.00 0.00 C ATOM 524 C GLN A 53 56.289 42.886 -30.737 1.00 0.00 C ATOM 525 O GLN A 53 57.427 43.225 -30.411 1.00 0.00 O ATOM 526 CB GLN A 53 55.498 44.591 -32.469 1.00 0.00 C ATOM 527 CG GLN A 53 54.423 45.250 -31.576 1.00 0.00 C ATOM 528 CD GLN A 53 52.975 44.823 -31.848 1.00 0.00 C ATOM 529 OE1 GLN A 53 52.627 44.259 -32.878 1.00 0.00 O ATOM 530 NE2 GLN A 53 52.067 45.066 -30.930 1.00 0.00 N ATOM 0 H GLN A 53 53.789 42.781 -32.606 1.00 0.00 H new ATOM 0 HA GLN A 53 56.662 42.781 -32.794 1.00 0.00 H new ATOM 0 HB2 GLN A 53 56.422 45.160 -32.366 1.00 0.00 H new ATOM 0 HB3 GLN A 53 55.181 44.683 -33.508 1.00 0.00 H new ATOM 0 HG2 GLN A 53 54.657 45.029 -30.535 1.00 0.00 H new ATOM 0 HG3 GLN A 53 54.491 46.331 -31.696 1.00 0.00 H new ATOM 0 HE21 GLN A 53 52.331 45.534 -30.063 1.00 0.00 H new ATOM 0 HE22 GLN A 53 51.098 44.786 -31.084 1.00 0.00 H new ATOM 539 N GLU A 54 55.430 42.350 -29.857 1.00 0.00 N ATOM 540 CA GLU A 54 55.665 42.309 -28.395 1.00 0.00 C ATOM 541 C GLU A 54 55.245 41.002 -27.686 1.00 0.00 C ATOM 542 O GLU A 54 55.375 40.880 -26.466 1.00 0.00 O ATOM 543 CB GLU A 54 55.000 43.541 -27.756 1.00 0.00 C ATOM 544 CG GLU A 54 53.467 43.554 -27.849 1.00 0.00 C ATOM 545 CD GLU A 54 52.905 44.922 -27.417 1.00 0.00 C ATOM 546 OE1 GLU A 54 52.632 45.121 -26.207 1.00 0.00 O ATOM 547 OE2 GLU A 54 52.724 45.805 -28.292 1.00 0.00 O ATOM 0 H GLU A 54 54.544 41.928 -30.136 1.00 0.00 H new ATOM 0 HA GLU A 54 56.746 42.331 -28.254 1.00 0.00 H new ATOM 0 HB2 GLU A 54 55.289 43.591 -26.706 1.00 0.00 H new ATOM 0 HB3 GLU A 54 55.389 44.439 -28.237 1.00 0.00 H new ATOM 0 HG2 GLU A 54 53.158 43.335 -28.871 1.00 0.00 H new ATOM 0 HG3 GLU A 54 53.053 42.769 -27.216 1.00 0.00 H new ATOM 554 N ALA A 55 54.759 40.006 -28.435 1.00 0.00 N ATOM 555 CA ALA A 55 54.265 38.725 -27.916 1.00 0.00 C ATOM 556 C ALA A 55 55.411 37.710 -27.686 1.00 0.00 C ATOM 557 O ALA A 55 55.472 36.652 -28.320 1.00 0.00 O ATOM 558 CB ALA A 55 53.149 38.215 -28.841 1.00 0.00 C ATOM 0 H ALA A 55 54.697 40.071 -29.451 1.00 0.00 H new ATOM 0 HA ALA A 55 53.834 38.866 -26.925 1.00 0.00 H new ATOM 0 HB1 ALA A 55 52.773 37.263 -28.467 1.00 0.00 H new ATOM 0 HB2 ALA A 55 52.337 38.942 -28.866 1.00 0.00 H new ATOM 0 HB3 ALA A 55 53.545 38.078 -29.847 1.00 0.00 H new ATOM 564 N GLN A 56 56.344 38.055 -26.791 1.00 0.00 N ATOM 565 CA GLN A 56 57.499 37.230 -26.417 1.00 0.00 C ATOM 566 C GLN A 56 57.869 37.517 -24.949 1.00 0.00 C ATOM 567 O GLN A 56 58.739 38.348 -24.670 1.00 0.00 O ATOM 568 CB GLN A 56 58.669 37.466 -27.393 1.00 0.00 C ATOM 569 CG GLN A 56 59.921 36.616 -27.085 1.00 0.00 C ATOM 570 CD GLN A 56 59.634 35.115 -26.999 1.00 0.00 C ATOM 571 OE1 GLN A 56 59.539 34.417 -28.000 1.00 0.00 O ATOM 572 NE2 GLN A 56 59.463 34.554 -25.816 1.00 0.00 N ATOM 0 H GLN A 56 56.315 38.944 -26.291 1.00 0.00 H new ATOM 0 HA GLN A 56 57.250 36.172 -26.493 1.00 0.00 H new ATOM 0 HB2 GLN A 56 58.334 37.247 -28.407 1.00 0.00 H new ATOM 0 HB3 GLN A 56 58.943 38.521 -27.369 1.00 0.00 H new ATOM 0 HG2 GLN A 56 60.669 36.791 -27.859 1.00 0.00 H new ATOM 0 HG3 GLN A 56 60.354 36.950 -26.142 1.00 0.00 H new ATOM 0 HE21 GLN A 56 59.538 35.117 -24.969 1.00 0.00 H new ATOM 0 HE22 GLN A 56 59.256 33.557 -25.749 1.00 0.00 H new ATOM 581 N PRO A 57 57.184 36.857 -23.999 1.00 0.00 N ATOM 582 CA PRO A 57 57.432 37.015 -22.571 1.00 0.00 C ATOM 583 C PRO A 57 58.539 36.049 -22.091 1.00 0.00 C ATOM 584 O PRO A 57 59.225 35.416 -22.904 1.00 0.00 O ATOM 585 CB PRO A 57 56.043 36.767 -21.979 1.00 0.00 C ATOM 586 CG PRO A 57 55.520 35.607 -22.822 1.00 0.00 C ATOM 587 CD PRO A 57 56.039 35.972 -24.212 1.00 0.00 C ATOM 0 HA PRO A 57 57.824 37.985 -22.265 1.00 0.00 H new ATOM 0 HB2 PRO A 57 56.094 36.508 -20.921 1.00 0.00 H new ATOM 0 HB3 PRO A 57 55.405 37.647 -22.061 1.00 0.00 H new ATOM 0 HG2 PRO A 57 55.906 34.647 -22.480 1.00 0.00 H new ATOM 0 HG3 PRO A 57 54.432 35.541 -22.796 1.00 0.00 H new ATOM 0 HD2 PRO A 57 56.334 35.080 -24.764 1.00 0.00 H new ATOM 0 HD3 PRO A 57 55.266 36.469 -24.798 1.00 0.00 H new ATOM 595 N GLY A 58 58.726 35.929 -20.772 1.00 0.00 N ATOM 596 CA GLY A 58 59.705 35.021 -20.158 1.00 0.00 C ATOM 597 C GLY A 58 61.129 35.595 -20.126 1.00 0.00 C ATOM 598 O GLY A 58 61.334 36.717 -19.659 1.00 0.00 O ATOM 0 H GLY A 58 58.194 36.468 -20.089 1.00 0.00 H new ATOM 0 HA2 GLY A 58 59.390 34.793 -19.140 1.00 0.00 H new ATOM 0 HA3 GLY A 58 59.712 34.080 -20.708 1.00 0.00 H new ATOM 602 N ALA A 59 62.109 34.810 -20.599 1.00 0.00 N ATOM 603 CA ALA A 59 63.549 35.118 -20.581 1.00 0.00 C ATOM 604 C ALA A 59 64.137 35.364 -19.174 1.00 0.00 C ATOM 605 O ALA A 59 64.799 36.366 -18.891 1.00 0.00 O ATOM 606 CB ALA A 59 63.854 36.225 -21.580 1.00 0.00 C ATOM 0 H ALA A 59 61.912 33.904 -21.023 1.00 0.00 H new ATOM 0 HA ALA A 59 64.075 34.219 -20.902 1.00 0.00 H new ATOM 0 HB1 ALA A 59 64.921 36.448 -21.562 1.00 0.00 H new ATOM 0 HB2 ALA A 59 63.568 35.901 -22.581 1.00 0.00 H new ATOM 0 HB3 ALA A 59 63.292 37.120 -21.314 1.00 0.00 H new ATOM 612 N LEU A 60 63.883 34.395 -18.300 1.00 0.00 N ATOM 613 CA LEU A 60 64.453 34.277 -16.951 1.00 0.00 C ATOM 614 C LEU A 60 65.821 33.556 -16.977 1.00 0.00 C ATOM 615 O LEU A 60 66.203 32.954 -17.984 1.00 0.00 O ATOM 616 CB LEU A 60 63.444 33.554 -16.027 1.00 0.00 C ATOM 617 CG LEU A 60 62.194 34.336 -15.571 1.00 0.00 C ATOM 618 CD1 LEU A 60 62.548 35.622 -14.821 1.00 0.00 C ATOM 619 CD2 LEU A 60 61.220 34.684 -16.693 1.00 0.00 C ATOM 0 H LEU A 60 63.244 33.631 -18.518 1.00 0.00 H new ATOM 0 HA LEU A 60 64.635 35.276 -16.555 1.00 0.00 H new ATOM 0 HB2 LEU A 60 63.106 32.654 -16.540 1.00 0.00 H new ATOM 0 HB3 LEU A 60 63.980 33.230 -15.135 1.00 0.00 H new ATOM 0 HG LEU A 60 61.693 33.638 -14.900 1.00 0.00 H new ATOM 0 HD11 LEU A 60 61.633 36.133 -14.523 1.00 0.00 H new ATOM 0 HD12 LEU A 60 63.132 35.377 -13.934 1.00 0.00 H new ATOM 0 HD13 LEU A 60 63.132 36.273 -15.471 1.00 0.00 H new ATOM 0 HD21 LEU A 60 60.372 35.232 -16.282 1.00 0.00 H new ATOM 0 HD22 LEU A 60 61.726 35.301 -17.435 1.00 0.00 H new ATOM 0 HD23 LEU A 60 60.865 33.767 -17.164 1.00 0.00 H new ATOM 631 N ALA A 61 66.550 33.605 -15.855 1.00 0.00 N ATOM 632 CA ALA A 61 67.831 32.923 -15.654 1.00 0.00 C ATOM 633 C ALA A 61 67.935 32.228 -14.284 1.00 0.00 C ATOM 634 O ALA A 61 67.393 32.711 -13.285 1.00 0.00 O ATOM 635 CB ALA A 61 68.971 33.932 -15.834 1.00 0.00 C ATOM 0 H ALA A 61 66.254 34.138 -15.037 1.00 0.00 H new ATOM 0 HA ALA A 61 67.905 32.133 -16.401 1.00 0.00 H new ATOM 0 HB1 ALA A 61 69.927 33.431 -15.686 1.00 0.00 H new ATOM 0 HB2 ALA A 61 68.932 34.349 -16.840 1.00 0.00 H new ATOM 0 HB3 ALA A 61 68.865 34.735 -15.104 1.00 0.00 H new ATOM 641 N ALA A 62 68.683 31.124 -14.235 1.00 0.00 N ATOM 642 CA ALA A 62 69.115 30.454 -13.009 1.00 0.00 C ATOM 643 C ALA A 62 70.504 30.947 -12.550 1.00 0.00 C ATOM 644 O ALA A 62 71.315 31.414 -13.356 1.00 0.00 O ATOM 645 CB ALA A 62 69.076 28.936 -13.228 1.00 0.00 C ATOM 0 H ALA A 62 69.016 30.656 -15.078 1.00 0.00 H new ATOM 0 HA ALA A 62 68.430 30.705 -12.199 1.00 0.00 H new ATOM 0 HB1 ALA A 62 69.397 28.429 -12.318 1.00 0.00 H new ATOM 0 HB2 ALA A 62 68.059 28.630 -13.475 1.00 0.00 H new ATOM 0 HB3 ALA A 62 69.744 28.669 -14.047 1.00 0.00 H new ATOM 651 N LEU A 63 70.773 30.836 -11.244 1.00 0.00 N ATOM 652 CA LEU A 63 71.999 31.314 -10.589 1.00 0.00 C ATOM 653 C LEU A 63 72.651 30.226 -9.720 1.00 0.00 C ATOM 654 O LEU A 63 71.972 29.325 -9.219 1.00 0.00 O ATOM 655 CB LEU A 63 71.683 32.539 -9.706 1.00 0.00 C ATOM 656 CG LEU A 63 71.029 33.742 -10.407 1.00 0.00 C ATOM 657 CD1 LEU A 63 70.765 34.840 -9.377 1.00 0.00 C ATOM 658 CD2 LEU A 63 71.915 34.336 -11.498 1.00 0.00 C ATOM 0 H LEU A 63 70.123 30.397 -10.592 1.00 0.00 H new ATOM 0 HA LEU A 63 72.700 31.586 -11.378 1.00 0.00 H new ATOM 0 HB2 LEU A 63 71.026 32.217 -8.898 1.00 0.00 H new ATOM 0 HB3 LEU A 63 72.612 32.876 -9.246 1.00 0.00 H new ATOM 0 HG LEU A 63 70.108 33.382 -10.865 1.00 0.00 H new ATOM 0 HD11 LEU A 63 70.301 35.696 -9.868 1.00 0.00 H new ATOM 0 HD12 LEU A 63 70.098 34.460 -8.603 1.00 0.00 H new ATOM 0 HD13 LEU A 63 71.707 35.148 -8.924 1.00 0.00 H new ATOM 0 HD21 LEU A 63 71.406 35.182 -11.960 1.00 0.00 H new ATOM 0 HD22 LEU A 63 72.854 34.673 -11.060 1.00 0.00 H new ATOM 0 HD23 LEU A 63 72.119 33.578 -12.254 1.00 0.00 H new ATOM 670 N HIS A 64 73.954 30.364 -9.471 1.00 0.00 N ATOM 671 CA HIS A 64 74.654 29.665 -8.390 1.00 0.00 C ATOM 672 C HIS A 64 74.462 30.432 -7.071 1.00 0.00 C ATOM 673 O HIS A 64 74.437 31.664 -7.071 1.00 0.00 O ATOM 674 CB HIS A 64 76.134 29.523 -8.762 1.00 0.00 C ATOM 675 CG HIS A 64 76.417 28.471 -9.804 1.00 0.00 C ATOM 676 ND1 HIS A 64 76.353 27.089 -9.604 1.00 0.00 N ATOM 677 CD2 HIS A 64 76.837 28.719 -11.078 1.00 0.00 C ATOM 678 CE1 HIS A 64 76.742 26.539 -10.767 1.00 0.00 C ATOM 679 NE2 HIS A 64 77.040 27.491 -11.668 1.00 0.00 N ATOM 0 H HIS A 64 74.561 30.972 -10.021 1.00 0.00 H new ATOM 0 HA HIS A 64 74.243 28.665 -8.251 1.00 0.00 H new ATOM 0 HB2 HIS A 64 76.498 30.484 -9.125 1.00 0.00 H new ATOM 0 HB3 HIS A 64 76.701 29.287 -7.862 1.00 0.00 H new ATOM 0 HD2 HIS A 64 76.982 29.687 -11.534 1.00 0.00 H new ATOM 0 HE1 HIS A 64 76.806 25.477 -10.952 1.00 0.00 H new ATOM 0 HE2 HIS A 64 77.361 27.332 -12.623 1.00 0.00 H new ATOM 687 N ALA A 65 74.325 29.718 -5.950 1.00 0.00 N ATOM 688 CA ALA A 65 73.930 30.301 -4.658 1.00 0.00 C ATOM 689 C ALA A 65 75.067 30.403 -3.615 1.00 0.00 C ATOM 690 O ALA A 65 74.884 31.027 -2.567 1.00 0.00 O ATOM 691 CB ALA A 65 72.742 29.485 -4.129 1.00 0.00 C ATOM 0 H ALA A 65 74.486 28.712 -5.910 1.00 0.00 H new ATOM 0 HA ALA A 65 73.652 31.341 -4.828 1.00 0.00 H new ATOM 0 HB1 ALA A 65 72.421 29.890 -3.169 1.00 0.00 H new ATOM 0 HB2 ALA A 65 71.918 29.540 -4.840 1.00 0.00 H new ATOM 0 HB3 ALA A 65 73.043 28.445 -4.002 1.00 0.00 H new ATOM 697 N GLU A 66 76.230 29.797 -3.876 1.00 0.00 N ATOM 698 CA GLU A 66 77.359 29.704 -2.933 1.00 0.00 C ATOM 699 C GLU A 66 78.731 29.688 -3.637 1.00 0.00 C ATOM 700 O GLU A 66 78.826 29.486 -4.852 1.00 0.00 O ATOM 701 CB GLU A 66 77.176 28.473 -2.022 1.00 0.00 C ATOM 702 CG GLU A 66 77.203 27.126 -2.761 1.00 0.00 C ATOM 703 CD GLU A 66 77.005 25.962 -1.771 1.00 0.00 C ATOM 704 OE1 GLU A 66 78.009 25.460 -1.207 1.00 0.00 O ATOM 705 OE2 GLU A 66 75.845 25.532 -1.550 1.00 0.00 O ATOM 0 H GLU A 66 76.421 29.345 -4.770 1.00 0.00 H new ATOM 0 HA GLU A 66 77.353 30.606 -2.321 1.00 0.00 H new ATOM 0 HB2 GLU A 66 77.962 28.475 -1.267 1.00 0.00 H new ATOM 0 HB3 GLU A 66 76.227 28.565 -1.494 1.00 0.00 H new ATOM 0 HG2 GLU A 66 76.419 27.104 -3.518 1.00 0.00 H new ATOM 0 HG3 GLU A 66 78.153 27.010 -3.282 1.00 0.00 H new ATOM 712 N GLY A 67 79.805 29.902 -2.866 1.00 0.00 N ATOM 713 CA GLY A 67 81.185 29.925 -3.370 1.00 0.00 C ATOM 714 C GLY A 67 81.496 31.130 -4.278 1.00 0.00 C ATOM 715 O GLY A 67 80.781 32.139 -4.237 1.00 0.00 O ATOM 0 H GLY A 67 79.739 30.066 -1.861 1.00 0.00 H new ATOM 0 HA2 GLY A 67 81.871 29.934 -2.523 1.00 0.00 H new ATOM 0 HA3 GLY A 67 81.375 29.006 -3.924 1.00 0.00 H new ATOM 719 N PRO A 68 82.542 31.051 -5.129 1.00 0.00 N ATOM 720 CA PRO A 68 82.959 32.159 -5.998 1.00 0.00 C ATOM 721 C PRO A 68 81.947 32.488 -7.113 1.00 0.00 C ATOM 722 O PRO A 68 82.016 33.568 -7.703 1.00 0.00 O ATOM 723 CB PRO A 68 84.317 31.728 -6.564 1.00 0.00 C ATOM 724 CG PRO A 68 84.237 30.203 -6.568 1.00 0.00 C ATOM 725 CD PRO A 68 83.432 29.909 -5.304 1.00 0.00 C ATOM 0 HA PRO A 68 83.021 33.088 -5.432 1.00 0.00 H new ATOM 0 HB2 PRO A 68 84.477 32.124 -7.567 1.00 0.00 H new ATOM 0 HB3 PRO A 68 85.141 32.085 -5.945 1.00 0.00 H new ATOM 0 HG2 PRO A 68 83.741 29.825 -7.462 1.00 0.00 H new ATOM 0 HG3 PRO A 68 85.226 29.745 -6.535 1.00 0.00 H new ATOM 0 HD2 PRO A 68 82.866 28.983 -5.407 1.00 0.00 H new ATOM 0 HD3 PRO A 68 84.087 29.788 -4.442 1.00 0.00 H new ATOM 733 N LEU A 69 80.992 31.586 -7.389 1.00 0.00 N ATOM 734 CA LEU A 69 79.912 31.782 -8.364 1.00 0.00 C ATOM 735 C LEU A 69 78.603 32.315 -7.749 1.00 0.00 C ATOM 736 O LEU A 69 77.617 32.426 -8.467 1.00 0.00 O ATOM 737 CB LEU A 69 79.685 30.484 -9.167 1.00 0.00 C ATOM 738 CG LEU A 69 80.866 30.034 -10.046 1.00 0.00 C ATOM 739 CD1 LEU A 69 80.543 28.677 -10.665 1.00 0.00 C ATOM 740 CD2 LEU A 69 81.186 31.022 -11.169 1.00 0.00 C ATOM 0 H LEU A 69 80.950 30.677 -6.927 1.00 0.00 H new ATOM 0 HA LEU A 69 80.238 32.569 -9.043 1.00 0.00 H new ATOM 0 HB2 LEU A 69 79.448 29.682 -8.468 1.00 0.00 H new ATOM 0 HB3 LEU A 69 78.811 30.620 -9.804 1.00 0.00 H new ATOM 0 HG LEU A 69 81.741 29.978 -9.399 1.00 0.00 H new ATOM 0 HD11 LEU A 69 81.377 28.354 -11.289 1.00 0.00 H new ATOM 0 HD12 LEU A 69 80.377 27.946 -9.873 1.00 0.00 H new ATOM 0 HD13 LEU A 69 79.644 28.760 -11.276 1.00 0.00 H new ATOM 0 HD21 LEU A 69 82.027 30.649 -11.753 1.00 0.00 H new ATOM 0 HD22 LEU A 69 80.316 31.132 -11.816 1.00 0.00 H new ATOM 0 HD23 LEU A 69 81.444 31.990 -10.739 1.00 0.00 H new ATOM 752 N ALA A 70 78.534 32.666 -6.462 1.00 0.00 N ATOM 753 CA ALA A 70 77.288 33.159 -5.867 1.00 0.00 C ATOM 754 C ALA A 70 76.767 34.430 -6.582 1.00 0.00 C ATOM 755 O ALA A 70 77.399 35.489 -6.547 1.00 0.00 O ATOM 756 CB ALA A 70 77.504 33.386 -4.366 1.00 0.00 C ATOM 0 H ALA A 70 79.321 32.619 -5.815 1.00 0.00 H new ATOM 0 HA ALA A 70 76.510 32.407 -5.999 1.00 0.00 H new ATOM 0 HB1 ALA A 70 76.581 33.753 -3.917 1.00 0.00 H new ATOM 0 HB2 ALA A 70 77.789 32.446 -3.893 1.00 0.00 H new ATOM 0 HB3 ALA A 70 78.296 34.121 -4.219 1.00 0.00 H new ATOM 762 N GLY A 71 75.607 34.306 -7.240 1.00 0.00 N ATOM 763 CA GLY A 71 74.985 35.338 -8.086 1.00 0.00 C ATOM 764 C GLY A 71 75.361 35.293 -9.581 1.00 0.00 C ATOM 765 O GLY A 71 74.906 36.148 -10.342 1.00 0.00 O ATOM 0 H GLY A 71 75.053 33.451 -7.197 1.00 0.00 H new ATOM 0 HA2 GLY A 71 73.902 35.248 -8.000 1.00 0.00 H new ATOM 0 HA3 GLY A 71 75.256 36.317 -7.691 1.00 0.00 H new ATOM 769 N LEU A 72 76.177 34.323 -10.012 1.00 0.00 N ATOM 770 CA LEU A 72 76.639 34.110 -11.389 1.00 0.00 C ATOM 771 C LEU A 72 75.802 33.014 -12.110 1.00 0.00 C ATOM 772 O LEU A 72 75.164 32.195 -11.441 1.00 0.00 O ATOM 773 CB LEU A 72 78.168 33.840 -11.361 1.00 0.00 C ATOM 774 CG LEU A 72 79.003 35.099 -11.030 1.00 0.00 C ATOM 775 CD1 LEU A 72 79.080 35.497 -9.554 1.00 0.00 C ATOM 776 CD2 LEU A 72 80.449 34.923 -11.497 1.00 0.00 C ATOM 0 H LEU A 72 76.554 33.625 -9.371 1.00 0.00 H new ATOM 0 HA LEU A 72 76.478 35.005 -11.990 1.00 0.00 H new ATOM 0 HB2 LEU A 72 78.380 33.067 -10.623 1.00 0.00 H new ATOM 0 HB3 LEU A 72 78.479 33.450 -12.330 1.00 0.00 H new ATOM 0 HG LEU A 72 78.465 35.889 -11.555 1.00 0.00 H new ATOM 0 HD11 LEU A 72 79.692 36.393 -9.450 1.00 0.00 H new ATOM 0 HD12 LEU A 72 78.077 35.698 -9.178 1.00 0.00 H new ATOM 0 HD13 LEU A 72 79.526 34.684 -8.981 1.00 0.00 H new ATOM 0 HD21 LEU A 72 81.021 35.819 -11.255 1.00 0.00 H new ATOM 0 HD22 LEU A 72 80.892 34.063 -10.994 1.00 0.00 H new ATOM 0 HD23 LEU A 72 80.466 34.761 -12.575 1.00 0.00 H new ATOM 788 N PRO A 73 75.756 33.005 -13.462 1.00 0.00 N ATOM 789 CA PRO A 73 74.879 32.140 -14.265 1.00 0.00 C ATOM 790 C PRO A 73 75.243 30.652 -14.187 1.00 0.00 C ATOM 791 O PRO A 73 76.387 30.306 -13.906 1.00 0.00 O ATOM 792 CB PRO A 73 75.032 32.638 -15.708 1.00 0.00 C ATOM 793 CG PRO A 73 76.417 33.266 -15.737 1.00 0.00 C ATOM 794 CD PRO A 73 76.548 33.852 -14.342 1.00 0.00 C ATOM 0 HA PRO A 73 73.858 32.203 -13.889 1.00 0.00 H new ATOM 0 HB2 PRO A 73 74.950 31.820 -16.423 1.00 0.00 H new ATOM 0 HB3 PRO A 73 74.260 33.363 -15.964 1.00 0.00 H new ATOM 0 HG2 PRO A 73 77.192 32.527 -15.940 1.00 0.00 H new ATOM 0 HG3 PRO A 73 76.498 34.033 -16.507 1.00 0.00 H new ATOM 0 HD2 PRO A 73 77.591 33.872 -14.026 1.00 0.00 H new ATOM 0 HD3 PRO A 73 76.188 34.881 -14.318 1.00 0.00 H new ATOM 802 N VAL A 74 74.309 29.760 -14.527 1.00 0.00 N ATOM 803 CA VAL A 74 74.557 28.305 -14.581 1.00 0.00 C ATOM 804 C VAL A 74 74.704 27.793 -16.026 1.00 0.00 C ATOM 805 O VAL A 74 75.475 26.862 -16.257 1.00 0.00 O ATOM 806 CB VAL A 74 73.468 27.532 -13.815 1.00 0.00 C ATOM 807 CG1 VAL A 74 73.832 26.052 -13.634 1.00 0.00 C ATOM 808 CG2 VAL A 74 73.215 28.105 -12.411 1.00 0.00 C ATOM 0 H VAL A 74 73.354 30.021 -14.774 1.00 0.00 H new ATOM 0 HA VAL A 74 75.511 28.121 -14.087 1.00 0.00 H new ATOM 0 HB VAL A 74 72.572 27.635 -14.428 1.00 0.00 H new ATOM 0 HG11 VAL A 74 73.036 25.546 -13.089 1.00 0.00 H new ATOM 0 HG12 VAL A 74 73.956 25.586 -14.611 1.00 0.00 H new ATOM 0 HG13 VAL A 74 74.763 25.972 -13.073 1.00 0.00 H new ATOM 0 HG21 VAL A 74 72.438 27.523 -11.915 1.00 0.00 H new ATOM 0 HG22 VAL A 74 74.134 28.056 -11.827 1.00 0.00 H new ATOM 0 HG23 VAL A 74 72.893 29.143 -12.494 1.00 0.00 H new ATOM 818 N THR A 75 74.030 28.415 -17.004 1.00 0.00 N ATOM 819 CA THR A 75 74.070 28.042 -18.440 1.00 0.00 C ATOM 820 C THR A 75 74.465 29.190 -19.375 1.00 0.00 C ATOM 821 O THR A 75 74.532 30.351 -18.971 1.00 0.00 O ATOM 822 CB THR A 75 72.733 27.441 -18.906 1.00 0.00 C ATOM 823 OG1 THR A 75 71.758 28.459 -18.995 1.00 0.00 O ATOM 824 CG2 THR A 75 72.258 26.329 -17.976 1.00 0.00 C ATOM 0 H THR A 75 73.423 29.214 -16.821 1.00 0.00 H new ATOM 0 HA THR A 75 74.857 27.291 -18.507 1.00 0.00 H new ATOM 0 HB THR A 75 72.886 26.998 -19.890 1.00 0.00 H new ATOM 0 HG1 THR A 75 70.908 28.073 -19.294 1.00 0.00 H new ATOM 0 HG21 THR A 75 71.311 25.931 -18.339 1.00 0.00 H new ATOM 0 HG22 THR A 75 73.002 25.532 -17.952 1.00 0.00 H new ATOM 0 HG23 THR A 75 72.122 26.729 -16.971 1.00 0.00 H new ATOM 832 N ARG A 76 74.715 28.878 -20.656 1.00 0.00 N ATOM 833 CA ARG A 76 74.982 29.877 -21.715 1.00 0.00 C ATOM 834 C ARG A 76 73.798 30.834 -21.882 1.00 0.00 C ATOM 835 O ARG A 76 73.990 32.042 -21.986 1.00 0.00 O ATOM 836 CB ARG A 76 75.307 29.108 -23.013 1.00 0.00 C ATOM 837 CG ARG A 76 75.683 29.999 -24.208 1.00 0.00 C ATOM 838 CD ARG A 76 75.971 29.121 -25.433 1.00 0.00 C ATOM 839 NE ARG A 76 76.339 29.936 -26.605 1.00 0.00 N ATOM 840 CZ ARG A 76 75.731 30.054 -27.768 1.00 0.00 C ATOM 841 NH1 ARG A 76 74.586 29.490 -28.034 1.00 0.00 N ATOM 842 NH2 ARG A 76 76.295 30.764 -28.698 1.00 0.00 N ATOM 0 H ARG A 76 74.739 27.916 -20.994 1.00 0.00 H new ATOM 0 HA ARG A 76 75.832 30.504 -21.447 1.00 0.00 H new ATOM 0 HB2 ARG A 76 76.130 28.421 -22.816 1.00 0.00 H new ATOM 0 HB3 ARG A 76 74.443 28.502 -23.286 1.00 0.00 H new ATOM 0 HG2 ARG A 76 74.871 30.692 -24.427 1.00 0.00 H new ATOM 0 HG3 ARG A 76 76.559 30.601 -23.965 1.00 0.00 H new ATOM 0 HD2 ARG A 76 76.779 28.427 -25.203 1.00 0.00 H new ATOM 0 HD3 ARG A 76 75.092 28.521 -25.667 1.00 0.00 H new ATOM 0 HE ARG A 76 77.189 30.490 -26.500 1.00 0.00 H new ATOM 0 HH11 ARG A 76 74.119 28.926 -27.325 1.00 0.00 H new ATOM 0 HH12 ARG A 76 74.158 29.613 -28.951 1.00 0.00 H new ATOM 0 HH21 ARG A 76 77.191 31.217 -28.521 1.00 0.00 H new ATOM 0 HH22 ARG A 76 75.841 30.868 -29.606 1.00 0.00 H new ATOM 856 N SER A 77 72.579 30.299 -21.809 1.00 0.00 N ATOM 857 CA SER A 77 71.337 31.083 -21.795 1.00 0.00 C ATOM 858 C SER A 77 71.265 31.988 -20.563 1.00 0.00 C ATOM 859 O SER A 77 70.981 33.176 -20.708 1.00 0.00 O ATOM 860 CB SER A 77 70.115 30.157 -21.839 1.00 0.00 C ATOM 861 OG SER A 77 70.184 29.316 -22.983 1.00 0.00 O ATOM 0 H SER A 77 72.421 29.293 -21.757 1.00 0.00 H new ATOM 0 HA SER A 77 71.335 31.715 -22.683 1.00 0.00 H new ATOM 0 HB2 SER A 77 70.075 29.551 -20.934 1.00 0.00 H new ATOM 0 HB3 SER A 77 69.200 30.749 -21.867 1.00 0.00 H new ATOM 0 HG SER A 77 69.401 28.727 -23.003 1.00 0.00 H new ATOM 867 N ASP A 78 71.616 31.487 -19.371 1.00 0.00 N ATOM 868 CA ASP A 78 71.673 32.326 -18.168 1.00 0.00 C ATOM 869 C ASP A 78 72.689 33.465 -18.331 1.00 0.00 C ATOM 870 O ASP A 78 72.361 34.615 -18.051 1.00 0.00 O ATOM 871 CB ASP A 78 72.043 31.515 -16.922 1.00 0.00 C ATOM 872 CG ASP A 78 71.067 30.403 -16.530 1.00 0.00 C ATOM 873 OD1 ASP A 78 69.841 30.525 -16.775 1.00 0.00 O ATOM 874 OD2 ASP A 78 71.555 29.432 -15.910 1.00 0.00 O ATOM 0 H ASP A 78 71.863 30.510 -19.215 1.00 0.00 H new ATOM 0 HA ASP A 78 70.674 32.741 -18.038 1.00 0.00 H new ATOM 0 HB2 ASP A 78 73.025 31.070 -17.081 1.00 0.00 H new ATOM 0 HB3 ASP A 78 72.137 32.202 -16.081 1.00 0.00 H new ATOM 879 N ALA A 79 73.902 33.178 -18.826 1.00 0.00 N ATOM 880 CA ALA A 79 74.942 34.187 -19.031 1.00 0.00 C ATOM 881 C ALA A 79 74.516 35.280 -20.029 1.00 0.00 C ATOM 882 O ALA A 79 74.705 36.464 -19.752 1.00 0.00 O ATOM 883 CB ALA A 79 76.241 33.471 -19.441 1.00 0.00 C ATOM 0 H ALA A 79 74.186 32.236 -19.095 1.00 0.00 H new ATOM 0 HA ALA A 79 75.114 34.723 -18.098 1.00 0.00 H new ATOM 0 HB1 ALA A 79 77.029 34.208 -19.598 1.00 0.00 H new ATOM 0 HB2 ALA A 79 76.541 32.782 -18.652 1.00 0.00 H new ATOM 0 HB3 ALA A 79 76.074 32.915 -20.364 1.00 0.00 H new ATOM 889 N ARG A 80 73.865 34.916 -21.143 1.00 0.00 N ATOM 890 CA ARG A 80 73.322 35.881 -22.124 1.00 0.00 C ATOM 891 C ARG A 80 72.205 36.753 -21.530 1.00 0.00 C ATOM 892 O ARG A 80 72.223 37.970 -21.712 1.00 0.00 O ATOM 893 CB ARG A 80 72.842 35.127 -23.379 1.00 0.00 C ATOM 894 CG ARG A 80 74.017 34.581 -24.211 1.00 0.00 C ATOM 895 CD ARG A 80 73.538 33.658 -25.339 1.00 0.00 C ATOM 896 NE ARG A 80 72.715 34.384 -26.332 1.00 0.00 N ATOM 897 CZ ARG A 80 71.787 33.879 -27.130 1.00 0.00 C ATOM 898 NH1 ARG A 80 71.482 32.613 -27.132 1.00 0.00 N ATOM 899 NH2 ARG A 80 71.138 34.651 -27.954 1.00 0.00 N ATOM 0 H ARG A 80 73.697 33.942 -21.395 1.00 0.00 H new ATOM 0 HA ARG A 80 74.123 36.566 -22.404 1.00 0.00 H new ATOM 0 HB2 ARG A 80 72.195 34.302 -23.081 1.00 0.00 H new ATOM 0 HB3 ARG A 80 72.241 35.796 -23.996 1.00 0.00 H new ATOM 0 HG2 ARG A 80 74.578 35.413 -24.636 1.00 0.00 H new ATOM 0 HG3 ARG A 80 74.700 34.035 -23.560 1.00 0.00 H new ATOM 0 HD2 ARG A 80 74.400 33.215 -25.837 1.00 0.00 H new ATOM 0 HD3 ARG A 80 72.958 32.838 -24.916 1.00 0.00 H new ATOM 0 HE ARG A 80 72.882 35.387 -26.410 1.00 0.00 H new ATOM 0 HH11 ARG A 80 71.965 31.971 -26.503 1.00 0.00 H new ATOM 0 HH12 ARG A 80 70.761 32.263 -27.763 1.00 0.00 H new ATOM 0 HH21 ARG A 80 71.344 35.650 -27.987 1.00 0.00 H new ATOM 0 HH22 ARG A 80 70.424 34.257 -28.567 1.00 0.00 H new ATOM 913 N VAL A 81 71.283 36.161 -20.765 1.00 0.00 N ATOM 914 CA VAL A 81 70.203 36.890 -20.066 1.00 0.00 C ATOM 915 C VAL A 81 70.772 37.861 -19.035 1.00 0.00 C ATOM 916 O VAL A 81 70.399 39.031 -19.035 1.00 0.00 O ATOM 917 CB VAL A 81 69.217 35.915 -19.394 1.00 0.00 C ATOM 918 CG1 VAL A 81 68.213 36.606 -18.461 1.00 0.00 C ATOM 919 CG2 VAL A 81 68.407 35.182 -20.462 1.00 0.00 C ATOM 0 H VAL A 81 71.259 35.154 -20.608 1.00 0.00 H new ATOM 0 HA VAL A 81 69.659 37.465 -20.816 1.00 0.00 H new ATOM 0 HB VAL A 81 69.830 35.236 -18.801 1.00 0.00 H new ATOM 0 HG11 VAL A 81 67.550 35.860 -18.023 1.00 0.00 H new ATOM 0 HG12 VAL A 81 68.751 37.124 -17.667 1.00 0.00 H new ATOM 0 HG13 VAL A 81 67.624 37.325 -19.029 1.00 0.00 H new ATOM 0 HG21 VAL A 81 67.711 34.494 -19.982 1.00 0.00 H new ATOM 0 HG22 VAL A 81 67.850 35.906 -21.056 1.00 0.00 H new ATOM 0 HG23 VAL A 81 69.082 34.623 -21.110 1.00 0.00 H new ATOM 929 N LEU A 82 71.702 37.408 -18.191 1.00 0.00 N ATOM 930 CA LEU A 82 72.375 38.261 -17.208 1.00 0.00 C ATOM 931 C LEU A 82 73.134 39.423 -17.858 1.00 0.00 C ATOM 932 O LEU A 82 72.964 40.556 -17.412 1.00 0.00 O ATOM 933 CB LEU A 82 73.306 37.412 -16.324 1.00 0.00 C ATOM 934 CG LEU A 82 72.644 36.982 -15.006 1.00 0.00 C ATOM 935 CD1 LEU A 82 71.381 36.141 -15.173 1.00 0.00 C ATOM 936 CD2 LEU A 82 73.643 36.160 -14.204 1.00 0.00 C ATOM 0 H LEU A 82 72.011 36.436 -18.170 1.00 0.00 H new ATOM 0 HA LEU A 82 71.605 38.712 -16.582 1.00 0.00 H new ATOM 0 HB2 LEU A 82 73.615 36.525 -16.877 1.00 0.00 H new ATOM 0 HB3 LEU A 82 74.209 37.981 -16.103 1.00 0.00 H new ATOM 0 HG LEU A 82 72.349 37.904 -14.505 1.00 0.00 H new ATOM 0 HD11 LEU A 82 70.983 35.884 -14.192 1.00 0.00 H new ATOM 0 HD12 LEU A 82 70.636 36.710 -15.729 1.00 0.00 H new ATOM 0 HD13 LEU A 82 71.621 35.228 -15.718 1.00 0.00 H new ATOM 0 HD21 LEU A 82 73.186 35.848 -13.265 1.00 0.00 H new ATOM 0 HD22 LEU A 82 73.933 35.279 -14.777 1.00 0.00 H new ATOM 0 HD23 LEU A 82 74.526 36.764 -13.995 1.00 0.00 H new ATOM 948 N ILE A 83 73.895 39.178 -18.935 1.00 0.00 N ATOM 949 CA ILE A 83 74.548 40.245 -19.715 1.00 0.00 C ATOM 950 C ILE A 83 73.510 41.275 -20.173 1.00 0.00 C ATOM 951 O ILE A 83 73.683 42.465 -19.914 1.00 0.00 O ATOM 952 CB ILE A 83 75.351 39.656 -20.903 1.00 0.00 C ATOM 953 CG1 ILE A 83 76.652 39.016 -20.362 1.00 0.00 C ATOM 954 CG2 ILE A 83 75.679 40.718 -21.977 1.00 0.00 C ATOM 955 CD1 ILE A 83 77.357 38.088 -21.362 1.00 0.00 C ATOM 0 H ILE A 83 74.076 38.239 -19.290 1.00 0.00 H new ATOM 0 HA ILE A 83 75.266 40.759 -19.076 1.00 0.00 H new ATOM 0 HB ILE A 83 74.733 38.901 -21.389 1.00 0.00 H new ATOM 0 HG12 ILE A 83 77.341 39.809 -20.071 1.00 0.00 H new ATOM 0 HG13 ILE A 83 76.418 38.450 -19.460 1.00 0.00 H new ATOM 0 HG21 ILE A 83 76.242 40.254 -22.787 1.00 0.00 H new ATOM 0 HG22 ILE A 83 74.752 41.135 -22.371 1.00 0.00 H new ATOM 0 HG23 ILE A 83 76.274 41.515 -21.531 1.00 0.00 H new ATOM 0 HD11 ILE A 83 78.259 37.680 -20.906 1.00 0.00 H new ATOM 0 HD12 ILE A 83 76.688 37.272 -21.635 1.00 0.00 H new ATOM 0 HD13 ILE A 83 77.625 38.652 -22.255 1.00 0.00 H new ATOM 967 N PHE A 84 72.416 40.833 -20.803 1.00 0.00 N ATOM 968 CA PHE A 84 71.400 41.741 -21.338 1.00 0.00 C ATOM 969 C PHE A 84 70.662 42.534 -20.252 1.00 0.00 C ATOM 970 O PHE A 84 70.558 43.753 -20.360 1.00 0.00 O ATOM 971 CB PHE A 84 70.410 40.956 -22.207 1.00 0.00 C ATOM 972 CG PHE A 84 69.539 41.823 -23.100 1.00 0.00 C ATOM 973 CD1 PHE A 84 70.137 42.731 -23.995 1.00 0.00 C ATOM 974 CD2 PHE A 84 68.137 41.685 -23.090 1.00 0.00 C ATOM 975 CE1 PHE A 84 69.358 43.441 -24.918 1.00 0.00 C ATOM 976 CE2 PHE A 84 67.350 42.435 -23.984 1.00 0.00 C ATOM 977 CZ PHE A 84 67.959 43.304 -24.908 1.00 0.00 C ATOM 0 H PHE A 84 72.213 39.845 -20.955 1.00 0.00 H new ATOM 0 HA PHE A 84 71.920 42.480 -21.947 1.00 0.00 H new ATOM 0 HB2 PHE A 84 70.967 40.257 -22.831 1.00 0.00 H new ATOM 0 HB3 PHE A 84 69.767 40.362 -21.558 1.00 0.00 H new ATOM 0 HD1 PHE A 84 71.206 42.881 -23.970 1.00 0.00 H new ATOM 0 HD2 PHE A 84 67.666 41.004 -22.397 1.00 0.00 H new ATOM 0 HE1 PHE A 84 69.832 44.093 -25.637 1.00 0.00 H new ATOM 0 HE2 PHE A 84 66.274 42.343 -23.961 1.00 0.00 H new ATOM 0 HZ PHE A 84 67.354 43.863 -25.606 1.00 0.00 H new ATOM 987 N ASN A 85 70.180 41.875 -19.194 1.00 0.00 N ATOM 988 CA ASN A 85 69.400 42.520 -18.135 1.00 0.00 C ATOM 989 C ASN A 85 70.250 43.474 -17.275 1.00 0.00 C ATOM 990 O ASN A 85 69.820 44.592 -16.976 1.00 0.00 O ATOM 991 CB ASN A 85 68.728 41.422 -17.292 1.00 0.00 C ATOM 992 CG ASN A 85 67.829 42.014 -16.217 1.00 0.00 C ATOM 993 OD1 ASN A 85 66.731 42.478 -16.484 1.00 0.00 O ATOM 994 ND2 ASN A 85 68.265 42.038 -14.976 1.00 0.00 N ATOM 0 H ASN A 85 70.321 40.875 -19.048 1.00 0.00 H new ATOM 0 HA ASN A 85 68.635 43.151 -18.588 1.00 0.00 H new ATOM 0 HB2 ASN A 85 68.141 40.772 -17.941 1.00 0.00 H new ATOM 0 HB3 ASN A 85 69.493 40.801 -16.826 1.00 0.00 H new ATOM 0 HD21 ASN A 85 67.687 42.443 -14.240 1.00 0.00 H new ATOM 0 HD22 ASN A 85 69.181 41.651 -14.750 1.00 0.00 H new ATOM 1001 N GLU A 86 71.470 43.059 -16.909 1.00 0.00 N ATOM 1002 CA GLU A 86 72.399 43.914 -16.168 1.00 0.00 C ATOM 1003 C GLU A 86 72.821 45.119 -17.014 1.00 0.00 C ATOM 1004 O GLU A 86 72.743 46.245 -16.522 1.00 0.00 O ATOM 1005 CB GLU A 86 73.618 43.109 -15.691 1.00 0.00 C ATOM 1006 CG GLU A 86 74.520 43.933 -14.765 1.00 0.00 C ATOM 1007 CD GLU A 86 75.671 43.070 -14.214 1.00 0.00 C ATOM 1008 OE1 GLU A 86 76.752 43.014 -14.850 1.00 0.00 O ATOM 1009 OE2 GLU A 86 75.508 42.453 -13.133 1.00 0.00 O ATOM 0 H GLU A 86 71.836 42.130 -17.117 1.00 0.00 H new ATOM 0 HA GLU A 86 71.886 44.293 -15.284 1.00 0.00 H new ATOM 0 HB2 GLU A 86 73.280 42.215 -15.167 1.00 0.00 H new ATOM 0 HB3 GLU A 86 74.193 42.775 -16.555 1.00 0.00 H new ATOM 0 HG2 GLU A 86 74.927 44.785 -15.310 1.00 0.00 H new ATOM 0 HG3 GLU A 86 73.932 44.334 -13.939 1.00 0.00 H new ATOM 1016 N TRP A 87 73.182 44.922 -18.291 1.00 0.00 N ATOM 1017 CA TRP A 87 73.449 46.040 -19.188 1.00 0.00 C ATOM 1018 C TRP A 87 72.232 46.955 -19.327 1.00 0.00 C ATOM 1019 O TRP A 87 72.396 48.153 -19.162 1.00 0.00 O ATOM 1020 CB TRP A 87 73.900 45.533 -20.553 1.00 0.00 C ATOM 1021 CG TRP A 87 73.985 46.574 -21.622 1.00 0.00 C ATOM 1022 CD1 TRP A 87 74.969 47.485 -21.793 1.00 0.00 C ATOM 1023 CD2 TRP A 87 73.078 46.759 -22.745 1.00 0.00 C ATOM 1024 NE1 TRP A 87 74.724 48.223 -22.934 1.00 0.00 N ATOM 1025 CE2 TRP A 87 73.593 47.790 -23.584 1.00 0.00 C ATOM 1026 CE3 TRP A 87 71.924 46.088 -23.187 1.00 0.00 C ATOM 1027 CZ2 TRP A 87 73.028 48.101 -24.829 1.00 0.00 C ATOM 1028 CZ3 TRP A 87 71.342 46.408 -24.422 1.00 0.00 C ATOM 1029 CH2 TRP A 87 71.885 47.406 -25.250 1.00 0.00 C ATOM 0 H TRP A 87 73.293 44.002 -18.717 1.00 0.00 H new ATOM 0 HA TRP A 87 74.254 46.630 -18.751 1.00 0.00 H new ATOM 0 HB2 TRP A 87 74.879 45.066 -20.444 1.00 0.00 H new ATOM 0 HB3 TRP A 87 73.210 44.755 -20.880 1.00 0.00 H new ATOM 0 HD1 TRP A 87 75.817 47.616 -21.137 1.00 0.00 H new ATOM 0 HE1 TRP A 87 75.310 48.994 -23.255 1.00 0.00 H new ATOM 0 HE3 TRP A 87 71.482 45.320 -22.570 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 73.467 48.864 -25.454 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 70.458 45.877 -24.744 1.00 0.00 H new ATOM 0 HH2 TRP A 87 71.427 47.635 -26.201 1.00 0.00 H new ATOM 1040 N GLU A 88 71.020 46.445 -19.556 1.00 0.00 N ATOM 1041 CA GLU A 88 69.818 47.274 -19.695 1.00 0.00 C ATOM 1042 C GLU A 88 69.550 48.155 -18.459 1.00 0.00 C ATOM 1043 O GLU A 88 69.296 49.350 -18.617 1.00 0.00 O ATOM 1044 CB GLU A 88 68.594 46.393 -19.996 1.00 0.00 C ATOM 1045 CG GLU A 88 68.446 46.018 -21.476 1.00 0.00 C ATOM 1046 CD GLU A 88 67.919 47.207 -22.305 1.00 0.00 C ATOM 1047 OE1 GLU A 88 68.725 48.060 -22.749 1.00 0.00 O ATOM 1048 OE2 GLU A 88 66.682 47.305 -22.509 1.00 0.00 O ATOM 0 H GLU A 88 70.843 45.445 -19.651 1.00 0.00 H new ATOM 0 HA GLU A 88 69.997 47.950 -20.531 1.00 0.00 H new ATOM 0 HB2 GLU A 88 68.662 45.480 -19.405 1.00 0.00 H new ATOM 0 HB3 GLU A 88 67.694 46.916 -19.672 1.00 0.00 H new ATOM 0 HG2 GLU A 88 69.410 45.696 -21.870 1.00 0.00 H new ATOM 0 HG3 GLU A 88 67.764 45.173 -21.573 1.00 0.00 H new ATOM 1055 N GLU A 89 69.649 47.624 -17.235 1.00 0.00 N ATOM 1056 CA GLU A 89 69.470 48.398 -16.007 1.00 0.00 C ATOM 1057 C GLU A 89 70.587 49.445 -15.802 1.00 0.00 C ATOM 1058 O GLU A 89 70.328 50.653 -15.651 1.00 0.00 O ATOM 1059 CB GLU A 89 69.406 47.388 -14.852 1.00 0.00 C ATOM 1060 CG GLU A 89 68.996 48.083 -13.563 1.00 0.00 C ATOM 1061 CD GLU A 89 68.915 47.090 -12.389 1.00 0.00 C ATOM 1062 OE1 GLU A 89 67.836 46.487 -12.170 1.00 0.00 O ATOM 1063 OE2 GLU A 89 69.929 46.914 -11.669 1.00 0.00 O ATOM 0 H GLU A 89 69.857 46.639 -17.071 1.00 0.00 H new ATOM 0 HA GLU A 89 68.550 48.981 -16.059 1.00 0.00 H new ATOM 0 HB2 GLU A 89 68.693 46.599 -15.090 1.00 0.00 H new ATOM 0 HB3 GLU A 89 70.378 46.912 -14.723 1.00 0.00 H new ATOM 0 HG2 GLU A 89 69.714 48.869 -13.328 1.00 0.00 H new ATOM 0 HG3 GLU A 89 68.028 48.566 -13.700 1.00 0.00 H new ATOM 1070 N ARG A 90 71.850 48.995 -15.861 1.00 0.00 N ATOM 1071 CA ARG A 90 73.019 49.876 -15.739 1.00 0.00 C ATOM 1072 C ARG A 90 72.953 50.979 -16.778 1.00 0.00 C ATOM 1073 O ARG A 90 73.048 52.139 -16.420 1.00 0.00 O ATOM 1074 CB ARG A 90 74.320 49.090 -15.924 1.00 0.00 C ATOM 1075 CG ARG A 90 74.623 48.085 -14.817 1.00 0.00 C ATOM 1076 CD ARG A 90 75.179 48.715 -13.532 1.00 0.00 C ATOM 1077 NE ARG A 90 74.115 49.243 -12.652 1.00 0.00 N ATOM 1078 CZ ARG A 90 73.994 50.466 -12.165 1.00 0.00 C ATOM 1079 NH1 ARG A 90 74.722 51.470 -12.566 1.00 0.00 N ATOM 1080 NH2 ARG A 90 73.105 50.708 -11.245 1.00 0.00 N ATOM 0 H ARG A 90 72.088 48.012 -15.994 1.00 0.00 H new ATOM 0 HA ARG A 90 73.007 50.310 -14.739 1.00 0.00 H new ATOM 0 HB2 ARG A 90 74.275 48.559 -16.875 1.00 0.00 H new ATOM 0 HB3 ARG A 90 75.148 49.796 -15.991 1.00 0.00 H new ATOM 0 HG2 ARG A 90 73.710 47.540 -14.576 1.00 0.00 H new ATOM 0 HG3 ARG A 90 75.341 47.355 -15.191 1.00 0.00 H new ATOM 0 HD2 ARG A 90 75.759 47.970 -12.988 1.00 0.00 H new ATOM 0 HD3 ARG A 90 75.863 49.522 -13.794 1.00 0.00 H new ATOM 0 HE ARG A 90 73.384 48.582 -12.388 1.00 0.00 H new ATOM 0 HH11 ARG A 90 75.427 51.332 -13.290 1.00 0.00 H new ATOM 0 HH12 ARG A 90 74.587 52.394 -12.156 1.00 0.00 H new ATOM 0 HH21 ARG A 90 72.506 49.956 -10.904 1.00 0.00 H new ATOM 0 HH22 ARG A 90 73.007 51.650 -10.866 1.00 0.00 H new ATOM 1094 N LYS A 91 72.695 50.631 -18.036 1.00 0.00 N ATOM 1095 CA LYS A 91 72.536 51.570 -19.163 1.00 0.00 C ATOM 1096 C LYS A 91 71.343 52.519 -19.001 1.00 0.00 C ATOM 1097 O LYS A 91 71.457 53.679 -19.385 1.00 0.00 O ATOM 1098 CB LYS A 91 72.419 50.796 -20.487 1.00 0.00 C ATOM 1099 CG LYS A 91 72.523 51.653 -21.762 1.00 0.00 C ATOM 1100 CD LYS A 91 71.853 50.947 -22.952 1.00 0.00 C ATOM 1101 CE LYS A 91 70.341 51.232 -22.979 1.00 0.00 C ATOM 1102 NZ LYS A 91 69.624 50.360 -23.949 1.00 0.00 N ATOM 0 H LYS A 91 72.586 49.657 -18.317 1.00 0.00 H new ATOM 0 HA LYS A 91 73.430 52.193 -19.173 1.00 0.00 H new ATOM 0 HB2 LYS A 91 73.200 50.036 -20.515 1.00 0.00 H new ATOM 0 HB3 LYS A 91 71.464 50.271 -20.499 1.00 0.00 H new ATOM 0 HG2 LYS A 91 72.050 52.621 -21.594 1.00 0.00 H new ATOM 0 HG3 LYS A 91 73.571 51.846 -21.991 1.00 0.00 H new ATOM 0 HD2 LYS A 91 72.308 51.285 -23.883 1.00 0.00 H new ATOM 0 HD3 LYS A 91 72.023 49.872 -22.886 1.00 0.00 H new ATOM 0 HE2 LYS A 91 69.926 51.082 -21.982 1.00 0.00 H new ATOM 0 HE3 LYS A 91 70.174 52.277 -23.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 68.707 50.789 -24.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 70.195 50.257 -24.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 69.467 49.424 -23.524 1.00 0.00 H new ATOM 1116 N LYS A 92 70.229 52.096 -18.389 1.00 0.00 N ATOM 1117 CA LYS A 92 69.146 53.015 -17.996 1.00 0.00 C ATOM 1118 C LYS A 92 69.659 54.085 -17.017 1.00 0.00 C ATOM 1119 O LYS A 92 69.248 55.243 -17.122 1.00 0.00 O ATOM 1120 CB LYS A 92 67.952 52.217 -17.442 1.00 0.00 C ATOM 1121 CG LYS A 92 66.705 53.095 -17.275 1.00 0.00 C ATOM 1122 CD LYS A 92 65.492 52.266 -16.828 1.00 0.00 C ATOM 1123 CE LYS A 92 64.259 53.171 -16.691 1.00 0.00 C ATOM 1124 NZ LYS A 92 63.052 52.402 -16.276 1.00 0.00 N ATOM 0 H LYS A 92 70.051 51.120 -18.153 1.00 0.00 H new ATOM 0 HA LYS A 92 68.793 53.553 -18.876 1.00 0.00 H new ATOM 0 HB2 LYS A 92 67.726 51.389 -18.114 1.00 0.00 H new ATOM 0 HB3 LYS A 92 68.221 51.782 -16.480 1.00 0.00 H new ATOM 0 HG2 LYS A 92 66.904 53.876 -16.542 1.00 0.00 H new ATOM 0 HG3 LYS A 92 66.480 53.593 -18.218 1.00 0.00 H new ATOM 0 HD2 LYS A 92 65.295 51.476 -17.552 1.00 0.00 H new ATOM 0 HD3 LYS A 92 65.704 51.780 -15.876 1.00 0.00 H new ATOM 0 HE2 LYS A 92 64.461 53.953 -15.959 1.00 0.00 H new ATOM 0 HE3 LYS A 92 64.065 53.667 -17.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 62.240 53.047 -16.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 62.844 51.672 -16.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 63.228 51.949 -15.357 1.00 0.00 H new ATOM 1138 N SER A 93 70.621 53.739 -16.152 1.00 0.00 N ATOM 1139 CA SER A 93 71.401 54.739 -15.382 1.00 0.00 C ATOM 1140 C SER A 93 72.629 55.356 -16.109 1.00 0.00 C ATOM 1141 O SER A 93 73.123 56.403 -15.687 1.00 0.00 O ATOM 1142 CB SER A 93 71.841 54.143 -14.038 1.00 0.00 C ATOM 1143 OG SER A 93 70.702 53.787 -13.263 1.00 0.00 O ATOM 0 H SER A 93 70.885 52.772 -15.962 1.00 0.00 H new ATOM 0 HA SER A 93 70.712 55.572 -15.243 1.00 0.00 H new ATOM 0 HB2 SER A 93 72.464 53.265 -14.208 1.00 0.00 H new ATOM 0 HB3 SER A 93 72.450 54.865 -13.493 1.00 0.00 H new ATOM 0 HG SER A 93 70.994 53.406 -12.408 1.00 0.00 H new ATOM 1149 N GLU A 94 73.131 54.739 -17.185 1.00 0.00 N ATOM 1150 CA GLU A 94 74.442 54.981 -17.826 1.00 0.00 C ATOM 1151 C GLU A 94 74.357 54.862 -19.372 1.00 0.00 C ATOM 1152 O GLU A 94 74.835 53.876 -19.944 1.00 0.00 O ATOM 1153 CB GLU A 94 75.491 53.974 -17.292 1.00 0.00 C ATOM 1154 CG GLU A 94 75.694 54.001 -15.775 1.00 0.00 C ATOM 1155 CD GLU A 94 76.777 52.994 -15.333 1.00 0.00 C ATOM 1156 OE1 GLU A 94 77.982 53.237 -15.592 1.00 0.00 O ATOM 1157 OE2 GLU A 94 76.432 51.971 -14.688 1.00 0.00 O ATOM 0 H GLU A 94 72.604 54.010 -17.667 1.00 0.00 H new ATOM 0 HA GLU A 94 74.744 55.999 -17.577 1.00 0.00 H new ATOM 0 HB2 GLU A 94 75.191 52.968 -17.586 1.00 0.00 H new ATOM 0 HB3 GLU A 94 76.447 54.176 -17.776 1.00 0.00 H new ATOM 0 HG2 GLU A 94 75.980 55.005 -15.463 1.00 0.00 H new ATOM 0 HG3 GLU A 94 74.753 53.768 -15.276 1.00 0.00 H new ATOM 1164 N PRO A 95 73.751 55.824 -20.095 1.00 0.00 N ATOM 1165 CA PRO A 95 73.384 55.678 -21.517 1.00 0.00 C ATOM 1166 C PRO A 95 74.545 55.445 -22.513 1.00 0.00 C ATOM 1167 O PRO A 95 74.303 55.194 -23.695 1.00 0.00 O ATOM 1168 CB PRO A 95 72.567 56.935 -21.854 1.00 0.00 C ATOM 1169 CG PRO A 95 72.978 57.949 -20.787 1.00 0.00 C ATOM 1170 CD PRO A 95 73.211 57.067 -19.566 1.00 0.00 C ATOM 0 HA PRO A 95 72.820 54.753 -21.638 1.00 0.00 H new ATOM 0 HB2 PRO A 95 72.792 57.299 -22.856 1.00 0.00 H new ATOM 0 HB3 PRO A 95 71.496 56.734 -21.821 1.00 0.00 H new ATOM 0 HG2 PRO A 95 73.878 58.495 -21.071 1.00 0.00 H new ATOM 0 HG3 PRO A 95 72.198 58.690 -20.610 1.00 0.00 H new ATOM 0 HD2 PRO A 95 73.907 57.534 -18.869 1.00 0.00 H new ATOM 0 HD3 PRO A 95 72.283 56.894 -19.022 1.00 0.00 H new ATOM 1178 N TRP A 96 75.798 55.496 -22.053 1.00 0.00 N ATOM 1179 CA TRP A 96 77.027 55.219 -22.808 1.00 0.00 C ATOM 1180 C TRP A 96 77.469 53.736 -22.815 1.00 0.00 C ATOM 1181 O TRP A 96 78.415 53.391 -23.528 1.00 0.00 O ATOM 1182 CB TRP A 96 78.131 56.107 -22.212 1.00 0.00 C ATOM 1183 CG TRP A 96 78.319 55.975 -20.727 1.00 0.00 C ATOM 1184 CD1 TRP A 96 79.073 55.040 -20.103 1.00 0.00 C ATOM 1185 CD2 TRP A 96 77.720 56.775 -19.659 1.00 0.00 C ATOM 1186 NE1 TRP A 96 78.986 55.207 -18.734 1.00 0.00 N ATOM 1187 CE2 TRP A 96 78.164 56.263 -18.403 1.00 0.00 C ATOM 1188 CE3 TRP A 96 76.835 57.877 -19.624 1.00 0.00 C ATOM 1189 CZ2 TRP A 96 77.756 56.812 -17.177 1.00 0.00 C ATOM 1190 CZ3 TRP A 96 76.422 58.439 -18.399 1.00 0.00 C ATOM 1191 CH2 TRP A 96 76.876 57.907 -17.178 1.00 0.00 C ATOM 0 H TRP A 96 75.995 55.747 -21.084 1.00 0.00 H new ATOM 0 HA TRP A 96 76.832 55.443 -23.857 1.00 0.00 H new ATOM 0 HB2 TRP A 96 79.074 55.869 -22.705 1.00 0.00 H new ATOM 0 HB3 TRP A 96 77.904 57.148 -22.443 1.00 0.00 H new ATOM 0 HD1 TRP A 96 79.655 54.278 -20.600 1.00 0.00 H new ATOM 0 HE1 TRP A 96 79.470 54.622 -18.053 1.00 0.00 H new ATOM 0 HE3 TRP A 96 76.470 58.295 -20.550 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 78.114 56.398 -16.246 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 75.751 59.285 -18.398 1.00 0.00 H new ATOM 0 HH2 TRP A 96 76.549 58.339 -16.244 1.00 0.00 H new ATOM 1202 N LEU A 97 76.847 52.857 -22.014 1.00 0.00 N ATOM 1203 CA LEU A 97 77.367 51.524 -21.698 1.00 0.00 C ATOM 1204 C LEU A 97 77.444 50.558 -22.902 1.00 0.00 C ATOM 1205 O LEU A 97 76.499 50.434 -23.684 1.00 0.00 O ATOM 1206 CB LEU A 97 76.496 50.941 -20.573 1.00 0.00 C ATOM 1207 CG LEU A 97 77.140 49.777 -19.817 1.00 0.00 C ATOM 1208 CD1 LEU A 97 78.389 50.178 -19.029 1.00 0.00 C ATOM 1209 CD2 LEU A 97 76.125 49.222 -18.823 1.00 0.00 C ATOM 0 H LEU A 97 75.955 53.059 -21.562 1.00 0.00 H new ATOM 0 HA LEU A 97 78.405 51.637 -21.385 1.00 0.00 H new ATOM 0 HB2 LEU A 97 76.261 51.734 -19.863 1.00 0.00 H new ATOM 0 HB3 LEU A 97 75.551 50.604 -20.999 1.00 0.00 H new ATOM 0 HG LEU A 97 77.441 49.044 -20.565 1.00 0.00 H new ATOM 0 HD11 LEU A 97 78.793 49.304 -18.518 1.00 0.00 H new ATOM 0 HD12 LEU A 97 79.138 50.577 -19.713 1.00 0.00 H new ATOM 0 HD13 LEU A 97 78.127 50.939 -18.294 1.00 0.00 H new ATOM 0 HD21 LEU A 97 76.569 48.391 -18.275 1.00 0.00 H new ATOM 0 HD22 LEU A 97 75.836 50.005 -18.122 1.00 0.00 H new ATOM 0 HD23 LEU A 97 75.243 48.873 -19.360 1.00 0.00 H new ATOM 1221 N ARG A 98 78.552 49.806 -23.002 1.00 0.00 N ATOM 1222 CA ARG A 98 78.809 48.806 -24.060 1.00 0.00 C ATOM 1223 C ARG A 98 78.184 47.432 -23.758 1.00 0.00 C ATOM 1224 O ARG A 98 77.980 47.077 -22.598 1.00 0.00 O ATOM 1225 CB ARG A 98 80.327 48.661 -24.283 1.00 0.00 C ATOM 1226 CG ARG A 98 81.084 49.962 -24.610 1.00 0.00 C ATOM 1227 CD ARG A 98 80.588 50.653 -25.886 1.00 0.00 C ATOM 1228 NE ARG A 98 81.424 51.827 -26.211 1.00 0.00 N ATOM 1229 CZ ARG A 98 81.365 52.566 -27.307 1.00 0.00 C ATOM 1230 NH1 ARG A 98 80.509 52.328 -28.262 1.00 0.00 N ATOM 1231 NH2 ARG A 98 82.179 53.571 -27.466 1.00 0.00 N ATOM 0 H ARG A 98 79.318 49.876 -22.332 1.00 0.00 H new ATOM 0 HA ARG A 98 78.330 49.173 -24.968 1.00 0.00 H new ATOM 0 HB2 ARG A 98 80.766 48.223 -23.387 1.00 0.00 H new ATOM 0 HB3 ARG A 98 80.490 47.954 -25.096 1.00 0.00 H new ATOM 0 HG2 ARG A 98 80.986 50.651 -23.771 1.00 0.00 H new ATOM 0 HG3 ARG A 98 82.146 49.739 -24.716 1.00 0.00 H new ATOM 0 HD2 ARG A 98 80.607 49.948 -26.717 1.00 0.00 H new ATOM 0 HD3 ARG A 98 79.552 50.965 -25.756 1.00 0.00 H new ATOM 0 HE ARG A 98 82.121 52.097 -25.517 1.00 0.00 H new ATOM 0 HH11 ARG A 98 79.855 51.550 -28.178 1.00 0.00 H new ATOM 0 HH12 ARG A 98 80.494 52.920 -29.092 1.00 0.00 H new ATOM 0 HH21 ARG A 98 82.865 53.791 -26.744 1.00 0.00 H new ATOM 0 HH22 ARG A 98 82.130 54.138 -28.312 1.00 0.00 H new ATOM 1245 N LEU A 99 77.914 46.663 -24.816 1.00 0.00 N ATOM 1246 CA LEU A 99 77.228 45.362 -24.810 1.00 0.00 C ATOM 1247 C LEU A 99 77.933 44.399 -25.785 1.00 0.00 C ATOM 1248 O LEU A 99 78.195 44.766 -26.933 1.00 0.00 O ATOM 1249 CB LEU A 99 75.767 45.644 -25.215 1.00 0.00 C ATOM 1250 CG LEU A 99 74.703 44.528 -25.196 1.00 0.00 C ATOM 1251 CD1 LEU A 99 74.869 43.601 -26.404 1.00 0.00 C ATOM 1252 CD2 LEU A 99 74.655 43.761 -23.876 1.00 0.00 C ATOM 0 H LEU A 99 78.184 46.946 -25.758 1.00 0.00 H new ATOM 0 HA LEU A 99 77.254 44.881 -23.832 1.00 0.00 H new ATOM 0 HB2 LEU A 99 75.405 46.440 -24.565 1.00 0.00 H new ATOM 0 HB3 LEU A 99 75.789 46.045 -26.228 1.00 0.00 H new ATOM 0 HG LEU A 99 73.731 45.014 -25.276 1.00 0.00 H new ATOM 0 HD11 LEU A 99 74.108 42.821 -26.371 1.00 0.00 H new ATOM 0 HD12 LEU A 99 74.758 44.177 -27.323 1.00 0.00 H new ATOM 0 HD13 LEU A 99 75.858 43.144 -26.379 1.00 0.00 H new ATOM 0 HD21 LEU A 99 73.885 42.991 -23.930 1.00 0.00 H new ATOM 0 HD22 LEU A 99 75.623 43.295 -23.691 1.00 0.00 H new ATOM 0 HD23 LEU A 99 74.423 44.449 -23.063 1.00 0.00 H new ATOM 1264 N ASP A 100 78.222 43.170 -25.348 1.00 0.00 N ATOM 1265 CA ASP A 100 78.794 42.110 -26.196 1.00 0.00 C ATOM 1266 C ASP A 100 78.229 40.729 -25.816 1.00 0.00 C ATOM 1267 O ASP A 100 78.168 40.382 -24.635 1.00 0.00 O ATOM 1268 CB ASP A 100 80.330 42.135 -26.095 1.00 0.00 C ATOM 1269 CG ASP A 100 81.042 41.185 -27.081 1.00 0.00 C ATOM 1270 OD1 ASP A 100 80.399 40.658 -28.020 1.00 0.00 O ATOM 1271 OD2 ASP A 100 82.272 40.988 -26.925 1.00 0.00 O ATOM 0 H ASP A 100 78.065 42.875 -24.384 1.00 0.00 H new ATOM 0 HA ASP A 100 78.511 42.298 -27.232 1.00 0.00 H new ATOM 0 HB2 ASP A 100 80.678 43.153 -26.272 1.00 0.00 H new ATOM 0 HB3 ASP A 100 80.621 41.871 -25.078 1.00 0.00 H new ATOM 1276 N MET A 101 77.801 39.952 -26.817 1.00 0.00 N ATOM 1277 CA MET A 101 77.170 38.630 -26.659 1.00 0.00 C ATOM 1278 C MET A 101 77.859 37.513 -27.468 1.00 0.00 C ATOM 1279 O MET A 101 77.404 36.367 -27.429 1.00 0.00 O ATOM 1280 CB MET A 101 75.679 38.728 -27.018 1.00 0.00 C ATOM 1281 CG MET A 101 74.909 39.640 -26.059 1.00 0.00 C ATOM 1282 SD MET A 101 73.155 39.768 -26.477 1.00 0.00 S ATOM 1283 CE MET A 101 72.603 40.857 -25.144 1.00 0.00 C ATOM 0 H MET A 101 77.886 40.233 -27.794 1.00 0.00 H new ATOM 0 HA MET A 101 77.285 38.344 -25.613 1.00 0.00 H new ATOM 0 HB2 MET A 101 75.577 39.105 -28.035 1.00 0.00 H new ATOM 0 HB3 MET A 101 75.237 37.732 -27.002 1.00 0.00 H new ATOM 0 HG2 MET A 101 75.009 39.259 -25.043 1.00 0.00 H new ATOM 0 HG3 MET A 101 75.355 40.634 -26.073 1.00 0.00 H new ATOM 0 HE1 MET A 101 71.655 40.494 -24.746 1.00 0.00 H new ATOM 0 HE2 MET A 101 73.350 40.867 -24.350 1.00 0.00 H new ATOM 0 HE3 MET A 101 72.471 41.867 -25.531 1.00 0.00 H new ATOM 1293 N SER A 102 78.953 37.809 -28.180 1.00 0.00 N ATOM 1294 CA SER A 102 79.800 36.778 -28.802 1.00 0.00 C ATOM 1295 C SER A 102 80.416 35.878 -27.725 1.00 0.00 C ATOM 1296 O SER A 102 80.751 36.345 -26.638 1.00 0.00 O ATOM 1297 CB SER A 102 80.903 37.412 -29.658 1.00 0.00 C ATOM 1298 OG SER A 102 80.333 38.084 -30.774 1.00 0.00 O ATOM 0 H SER A 102 79.277 38.763 -28.342 1.00 0.00 H new ATOM 0 HA SER A 102 79.172 36.172 -29.455 1.00 0.00 H new ATOM 0 HB2 SER A 102 81.481 38.115 -29.058 1.00 0.00 H new ATOM 0 HB3 SER A 102 81.594 36.643 -30.002 1.00 0.00 H new ATOM 0 HG SER A 102 81.046 38.486 -31.313 1.00 0.00 H new ATOM 1304 N ASP A 103 80.580 34.581 -28.004 1.00 0.00 N ATOM 1305 CA ASP A 103 80.853 33.576 -26.960 1.00 0.00 C ATOM 1306 C ASP A 103 82.157 33.805 -26.179 1.00 0.00 C ATOM 1307 O ASP A 103 82.224 33.462 -24.999 1.00 0.00 O ATOM 1308 CB ASP A 103 80.810 32.174 -27.574 1.00 0.00 C ATOM 1309 CG ASP A 103 79.366 31.762 -27.876 1.00 0.00 C ATOM 1310 OD1 ASP A 103 78.619 31.438 -26.928 1.00 0.00 O ATOM 1311 OD2 ASP A 103 78.942 31.757 -29.054 1.00 0.00 O ATOM 0 H ASP A 103 80.529 34.197 -28.947 1.00 0.00 H new ATOM 0 HA ASP A 103 80.065 33.682 -26.214 1.00 0.00 H new ATOM 0 HB2 ASP A 103 81.399 32.154 -28.491 1.00 0.00 H new ATOM 0 HB3 ASP A 103 81.263 31.457 -26.889 1.00 0.00 H new ATOM 1316 N LYS A 104 83.147 34.495 -26.766 1.00 0.00 N ATOM 1317 CA LYS A 104 84.367 34.936 -26.067 1.00 0.00 C ATOM 1318 C LYS A 104 84.071 35.796 -24.830 1.00 0.00 C ATOM 1319 O LYS A 104 84.751 35.644 -23.817 1.00 0.00 O ATOM 1320 CB LYS A 104 85.293 35.673 -27.050 1.00 0.00 C ATOM 1321 CG LYS A 104 85.848 34.731 -28.132 1.00 0.00 C ATOM 1322 CD LYS A 104 86.813 35.469 -29.070 1.00 0.00 C ATOM 1323 CE LYS A 104 87.351 34.507 -30.139 1.00 0.00 C ATOM 1324 NZ LYS A 104 88.294 35.188 -31.071 1.00 0.00 N ATOM 0 H LYS A 104 83.124 34.766 -27.749 1.00 0.00 H new ATOM 0 HA LYS A 104 84.872 34.044 -25.696 1.00 0.00 H new ATOM 0 HB2 LYS A 104 84.745 36.487 -27.524 1.00 0.00 H new ATOM 0 HB3 LYS A 104 86.120 36.123 -26.501 1.00 0.00 H new ATOM 0 HG2 LYS A 104 86.364 33.895 -27.660 1.00 0.00 H new ATOM 0 HG3 LYS A 104 85.024 34.312 -28.710 1.00 0.00 H new ATOM 0 HD2 LYS A 104 86.301 36.305 -29.547 1.00 0.00 H new ATOM 0 HD3 LYS A 104 87.640 35.887 -28.497 1.00 0.00 H new ATOM 0 HE2 LYS A 104 87.858 33.672 -29.655 1.00 0.00 H new ATOM 0 HE3 LYS A 104 86.518 34.090 -30.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 88.636 34.506 -31.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 87.804 35.969 -31.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 89.101 35.564 -30.534 1.00 0.00 H new ATOM 1338 N ALA A 105 83.017 36.618 -24.856 1.00 0.00 N ATOM 1339 CA ALA A 105 82.552 37.376 -23.689 1.00 0.00 C ATOM 1340 C ALA A 105 82.102 36.452 -22.547 1.00 0.00 C ATOM 1341 O ALA A 105 82.428 36.693 -21.386 1.00 0.00 O ATOM 1342 CB ALA A 105 81.436 38.337 -24.124 1.00 0.00 C ATOM 0 H ALA A 105 82.458 36.778 -25.694 1.00 0.00 H new ATOM 0 HA ALA A 105 83.383 37.958 -23.292 1.00 0.00 H new ATOM 0 HB1 ALA A 105 81.086 38.903 -23.261 1.00 0.00 H new ATOM 0 HB2 ALA A 105 81.821 39.025 -24.877 1.00 0.00 H new ATOM 0 HB3 ALA A 105 80.607 37.766 -24.543 1.00 0.00 H new ATOM 1348 N ILE A 106 81.416 35.355 -22.879 1.00 0.00 N ATOM 1349 CA ILE A 106 80.908 34.376 -21.912 1.00 0.00 C ATOM 1350 C ILE A 106 82.078 33.552 -21.365 1.00 0.00 C ATOM 1351 O ILE A 106 82.203 33.426 -20.152 1.00 0.00 O ATOM 1352 CB ILE A 106 79.784 33.517 -22.544 1.00 0.00 C ATOM 1353 CG1 ILE A 106 78.469 34.306 -22.745 1.00 0.00 C ATOM 1354 CG2 ILE A 106 79.442 32.290 -21.673 1.00 0.00 C ATOM 1355 CD1 ILE A 106 78.537 35.551 -23.643 1.00 0.00 C ATOM 0 H ILE A 106 81.194 35.117 -23.846 1.00 0.00 H new ATOM 0 HA ILE A 106 80.449 34.883 -21.064 1.00 0.00 H new ATOM 0 HB ILE A 106 80.182 33.208 -23.511 1.00 0.00 H new ATOM 0 HG12 ILE A 106 77.726 33.627 -23.162 1.00 0.00 H new ATOM 0 HG13 ILE A 106 78.105 34.614 -21.765 1.00 0.00 H new ATOM 0 HG21 ILE A 106 78.650 31.714 -22.151 1.00 0.00 H new ATOM 0 HG22 ILE A 106 80.328 31.665 -21.561 1.00 0.00 H new ATOM 0 HG23 ILE A 106 79.106 32.623 -20.691 1.00 0.00 H new ATOM 0 HD11 ILE A 106 77.551 36.012 -23.701 1.00 0.00 H new ATOM 0 HD12 ILE A 106 79.247 36.264 -23.223 1.00 0.00 H new ATOM 0 HD13 ILE A 106 78.862 35.261 -24.642 1.00 0.00 H new ATOM 1367 N PHE A 107 82.986 33.080 -22.225 1.00 0.00 N ATOM 1368 CA PHE A 107 84.197 32.357 -21.804 1.00 0.00 C ATOM 1369 C PHE A 107 85.042 33.168 -20.807 1.00 0.00 C ATOM 1370 O PHE A 107 85.488 32.644 -19.785 1.00 0.00 O ATOM 1371 CB PHE A 107 85.088 32.041 -23.016 1.00 0.00 C ATOM 1372 CG PHE A 107 84.493 31.297 -24.197 1.00 0.00 C ATOM 1373 CD1 PHE A 107 83.339 30.497 -24.081 1.00 0.00 C ATOM 1374 CD2 PHE A 107 85.147 31.401 -25.439 1.00 0.00 C ATOM 1375 CE1 PHE A 107 82.846 29.806 -25.204 1.00 0.00 C ATOM 1376 CE2 PHE A 107 84.652 30.714 -26.563 1.00 0.00 C ATOM 1377 CZ PHE A 107 83.504 29.911 -26.442 1.00 0.00 C ATOM 0 H PHE A 107 82.904 33.187 -23.236 1.00 0.00 H new ATOM 0 HA PHE A 107 83.852 31.441 -21.324 1.00 0.00 H new ATOM 0 HB2 PHE A 107 85.483 32.986 -23.389 1.00 0.00 H new ATOM 0 HB3 PHE A 107 85.938 31.460 -22.656 1.00 0.00 H new ATOM 0 HD1 PHE A 107 82.833 30.414 -23.131 1.00 0.00 H new ATOM 0 HD2 PHE A 107 86.033 32.011 -25.530 1.00 0.00 H new ATOM 0 HE1 PHE A 107 81.961 29.194 -25.114 1.00 0.00 H new ATOM 0 HE2 PHE A 107 85.152 30.803 -27.516 1.00 0.00 H new ATOM 0 HZ PHE A 107 83.128 29.375 -27.301 1.00 0.00 H new ATOM 1387 N ARG A 108 85.263 34.458 -21.105 1.00 0.00 N ATOM 1388 CA ARG A 108 86.151 35.347 -20.351 1.00 0.00 C ATOM 1389 C ARG A 108 85.514 35.846 -19.046 1.00 0.00 C ATOM 1390 O ARG A 108 86.189 35.878 -18.018 1.00 0.00 O ATOM 1391 CB ARG A 108 86.588 36.449 -21.334 1.00 0.00 C ATOM 1392 CG ARG A 108 87.854 37.219 -20.943 1.00 0.00 C ATOM 1393 CD ARG A 108 87.643 38.342 -19.919 1.00 0.00 C ATOM 1394 NE ARG A 108 88.894 39.094 -19.696 1.00 0.00 N ATOM 1395 CZ ARG A 108 89.068 40.125 -18.886 1.00 0.00 C ATOM 1396 NH1 ARG A 108 88.099 40.615 -18.165 1.00 0.00 N ATOM 1397 NH2 ARG A 108 90.237 40.690 -18.786 1.00 0.00 N ATOM 0 H ARG A 108 84.816 34.920 -21.897 1.00 0.00 H new ATOM 0 HA ARG A 108 87.036 34.826 -19.987 1.00 0.00 H new ATOM 0 HB2 ARG A 108 86.747 35.996 -22.313 1.00 0.00 H new ATOM 0 HB3 ARG A 108 85.770 37.161 -21.441 1.00 0.00 H new ATOM 0 HG2 ARG A 108 88.580 36.513 -20.540 1.00 0.00 H new ATOM 0 HG3 ARG A 108 88.293 37.648 -21.844 1.00 0.00 H new ATOM 0 HD2 ARG A 108 86.865 39.019 -20.271 1.00 0.00 H new ATOM 0 HD3 ARG A 108 87.295 37.919 -18.976 1.00 0.00 H new ATOM 0 HE ARG A 108 89.711 38.785 -20.223 1.00 0.00 H new ATOM 0 HH11 ARG A 108 87.168 40.202 -18.214 1.00 0.00 H new ATOM 0 HH12 ARG A 108 88.272 41.411 -17.552 1.00 0.00 H new ATOM 0 HH21 ARG A 108 91.022 40.338 -19.333 1.00 0.00 H new ATOM 0 HH22 ARG A 108 90.367 41.485 -18.160 1.00 0.00 H new ATOM 1411 N ARG A 109 84.214 36.178 -19.057 1.00 0.00 N ATOM 1412 CA ARG A 109 83.458 36.614 -17.862 1.00 0.00 C ATOM 1413 C ARG A 109 83.079 35.449 -16.933 1.00 0.00 C ATOM 1414 O ARG A 109 83.103 35.607 -15.714 1.00 0.00 O ATOM 1415 CB ARG A 109 82.224 37.410 -18.323 1.00 0.00 C ATOM 1416 CG ARG A 109 81.492 38.108 -17.164 1.00 0.00 C ATOM 1417 CD ARG A 109 80.334 38.985 -17.662 1.00 0.00 C ATOM 1418 NE ARG A 109 80.815 40.155 -18.430 1.00 0.00 N ATOM 1419 CZ ARG A 109 81.218 41.322 -17.952 1.00 0.00 C ATOM 1420 NH1 ARG A 109 81.228 41.585 -16.677 1.00 0.00 N ATOM 1421 NH2 ARG A 109 81.628 42.257 -18.760 1.00 0.00 N ATOM 0 H ARG A 109 83.647 36.153 -19.904 1.00 0.00 H new ATOM 0 HA ARG A 109 84.102 37.255 -17.260 1.00 0.00 H new ATOM 0 HB2 ARG A 109 82.533 38.158 -19.053 1.00 0.00 H new ATOM 0 HB3 ARG A 109 81.532 36.737 -18.829 1.00 0.00 H new ATOM 0 HG2 ARG A 109 81.108 37.358 -16.473 1.00 0.00 H new ATOM 0 HG3 ARG A 109 82.199 38.723 -16.606 1.00 0.00 H new ATOM 0 HD2 ARG A 109 79.671 38.388 -18.288 1.00 0.00 H new ATOM 0 HD3 ARG A 109 79.746 39.327 -16.810 1.00 0.00 H new ATOM 0 HE ARG A 109 80.839 40.050 -19.444 1.00 0.00 H new ATOM 0 HH11 ARG A 109 80.918 40.880 -16.008 1.00 0.00 H new ATOM 0 HH12 ARG A 109 81.546 42.496 -16.347 1.00 0.00 H new ATOM 0 HH21 ARG A 109 81.640 42.092 -19.767 1.00 0.00 H new ATOM 0 HH22 ARG A 109 81.937 43.154 -18.386 1.00 0.00 H new ATOM 1435 N TYR A 110 82.769 34.287 -17.512 1.00 0.00 N ATOM 1436 CA TYR A 110 82.273 33.087 -16.827 1.00 0.00 C ATOM 1437 C TYR A 110 83.129 31.849 -17.182 1.00 0.00 C ATOM 1438 O TYR A 110 82.677 30.963 -17.914 1.00 0.00 O ATOM 1439 CB TYR A 110 80.782 32.906 -17.163 1.00 0.00 C ATOM 1440 CG TYR A 110 79.913 34.108 -16.844 1.00 0.00 C ATOM 1441 CD1 TYR A 110 79.810 34.569 -15.519 1.00 0.00 C ATOM 1442 CD2 TYR A 110 79.227 34.776 -17.876 1.00 0.00 C ATOM 1443 CE1 TYR A 110 79.040 35.713 -15.231 1.00 0.00 C ATOM 1444 CE2 TYR A 110 78.429 35.901 -17.587 1.00 0.00 C ATOM 1445 CZ TYR A 110 78.335 36.373 -16.259 1.00 0.00 C ATOM 1446 OH TYR A 110 77.567 37.457 -15.959 1.00 0.00 O ATOM 0 H TYR A 110 82.861 34.149 -18.518 1.00 0.00 H new ATOM 0 HA TYR A 110 82.364 33.206 -15.747 1.00 0.00 H new ATOM 0 HB2 TYR A 110 80.687 32.677 -18.224 1.00 0.00 H new ATOM 0 HB3 TYR A 110 80.402 32.044 -16.616 1.00 0.00 H new ATOM 0 HD1 TYR A 110 80.321 34.047 -14.724 1.00 0.00 H new ATOM 0 HD2 TYR A 110 79.313 34.425 -18.894 1.00 0.00 H new ATOM 0 HE1 TYR A 110 78.989 36.086 -14.219 1.00 0.00 H new ATOM 0 HE2 TYR A 110 77.891 36.401 -18.379 1.00 0.00 H new ATOM 0 HH TYR A 110 77.148 37.798 -16.777 1.00 0.00 H new ATOM 1456 N PRO A 111 84.372 31.747 -16.663 1.00 0.00 N ATOM 1457 CA PRO A 111 85.301 30.662 -17.001 1.00 0.00 C ATOM 1458 C PRO A 111 84.853 29.271 -16.509 1.00 0.00 C ATOM 1459 O PRO A 111 85.422 28.258 -16.923 1.00 0.00 O ATOM 1460 CB PRO A 111 86.645 31.080 -16.395 1.00 0.00 C ATOM 1461 CG PRO A 111 86.243 31.955 -15.209 1.00 0.00 C ATOM 1462 CD PRO A 111 85.005 32.677 -15.735 1.00 0.00 C ATOM 0 HA PRO A 111 85.354 30.536 -18.082 1.00 0.00 H new ATOM 0 HB2 PRO A 111 87.228 30.216 -16.077 1.00 0.00 H new ATOM 0 HB3 PRO A 111 87.255 31.630 -17.112 1.00 0.00 H new ATOM 0 HG2 PRO A 111 86.020 31.360 -14.323 1.00 0.00 H new ATOM 0 HG3 PRO A 111 87.033 32.653 -14.934 1.00 0.00 H new ATOM 0 HD2 PRO A 111 84.329 32.939 -14.921 1.00 0.00 H new ATOM 0 HD3 PRO A 111 85.277 33.606 -16.236 1.00 0.00 H new ATOM 1470 N HIS A 112 83.825 29.196 -15.653 1.00 0.00 N ATOM 1471 CA HIS A 112 83.182 27.940 -15.251 1.00 0.00 C ATOM 1472 C HIS A 112 82.273 27.344 -16.341 1.00 0.00 C ATOM 1473 O HIS A 112 81.995 26.142 -16.324 1.00 0.00 O ATOM 1474 CB HIS A 112 82.365 28.194 -13.975 1.00 0.00 C ATOM 1475 CG HIS A 112 81.024 28.855 -14.213 1.00 0.00 C ATOM 1476 ND1 HIS A 112 80.808 30.165 -14.662 1.00 0.00 N ATOM 1477 CD2 HIS A 112 79.820 28.234 -14.065 1.00 0.00 C ATOM 1478 CE1 HIS A 112 79.468 30.304 -14.733 1.00 0.00 C ATOM 1479 NE2 HIS A 112 78.862 29.170 -14.366 1.00 0.00 N ATOM 0 H HIS A 112 83.411 30.019 -15.215 1.00 0.00 H new ATOM 0 HA HIS A 112 83.971 27.208 -15.076 1.00 0.00 H new ATOM 0 HB2 HIS A 112 82.203 27.244 -13.467 1.00 0.00 H new ATOM 0 HB3 HIS A 112 82.951 28.820 -13.302 1.00 0.00 H new ATOM 0 HD2 HIS A 112 79.653 27.209 -13.769 1.00 0.00 H new ATOM 0 HE1 HIS A 112 78.957 31.204 -15.042 1.00 0.00 H new ATOM 0 HE2 HIS A 112 77.854 29.024 -14.318 1.00 0.00 H new ATOM 1487 N LEU A 113 81.782 28.180 -17.265 1.00 0.00 N ATOM 1488 CA LEU A 113 80.673 27.873 -18.160 1.00 0.00 C ATOM 1489 C LEU A 113 81.127 27.034 -19.371 1.00 0.00 C ATOM 1490 O LEU A 113 80.506 26.014 -19.686 1.00 0.00 O ATOM 1491 CB LEU A 113 80.042 29.238 -18.527 1.00 0.00 C ATOM 1492 CG LEU A 113 78.557 29.260 -18.903 1.00 0.00 C ATOM 1493 CD1 LEU A 113 78.329 28.598 -20.257 1.00 0.00 C ATOM 1494 CD2 LEU A 113 77.687 28.612 -17.836 1.00 0.00 C ATOM 0 H LEU A 113 82.161 29.116 -17.410 1.00 0.00 H new ATOM 0 HA LEU A 113 79.923 27.239 -17.687 1.00 0.00 H new ATOM 0 HB2 LEU A 113 80.183 29.911 -17.681 1.00 0.00 H new ATOM 0 HB3 LEU A 113 80.605 29.654 -19.362 1.00 0.00 H new ATOM 0 HG LEU A 113 78.260 30.307 -18.973 1.00 0.00 H new ATOM 0 HD11 LEU A 113 77.267 28.626 -20.502 1.00 0.00 H new ATOM 0 HD12 LEU A 113 78.892 29.132 -21.022 1.00 0.00 H new ATOM 0 HD13 LEU A 113 78.665 27.562 -20.216 1.00 0.00 H new ATOM 0 HD21 LEU A 113 76.643 28.651 -18.145 1.00 0.00 H new ATOM 0 HD22 LEU A 113 77.988 27.573 -17.703 1.00 0.00 H new ATOM 0 HD23 LEU A 113 77.806 29.148 -16.894 1.00 0.00 H new ATOM 1506 N ARG A 114 82.246 27.429 -19.997 1.00 0.00 N ATOM 1507 CA ARG A 114 82.960 26.718 -21.075 1.00 0.00 C ATOM 1508 C ARG A 114 84.481 26.890 -20.939 1.00 0.00 C ATOM 1509 O ARG A 114 85.193 25.860 -20.988 1.00 0.00 O ATOM 1510 CB ARG A 114 82.494 27.211 -22.460 1.00 0.00 C ATOM 1511 CG ARG A 114 81.114 26.716 -22.931 1.00 0.00 C ATOM 1512 CD ARG A 114 81.058 25.189 -23.089 1.00 0.00 C ATOM 1513 NE ARG A 114 79.815 24.755 -23.759 1.00 0.00 N ATOM 1514 CZ ARG A 114 79.623 24.563 -25.052 1.00 0.00 C ATOM 1515 NH1 ARG A 114 80.553 24.783 -25.938 1.00 0.00 N ATOM 1516 NH2 ARG A 114 78.473 24.140 -25.486 1.00 0.00 N ATOM 1517 OXT ARG A 114 84.955 28.040 -20.781 1.00 0.00 O ATOM 0 H ARG A 114 82.706 28.305 -19.751 1.00 0.00 H new ATOM 0 HA ARG A 114 82.724 25.658 -20.983 1.00 0.00 H new ATOM 0 HB2 ARG A 114 82.481 28.301 -22.449 1.00 0.00 H new ATOM 0 HB3 ARG A 114 83.236 26.909 -23.199 1.00 0.00 H new ATOM 0 HG2 ARG A 114 80.355 27.032 -22.215 1.00 0.00 H new ATOM 0 HG3 ARG A 114 80.869 27.186 -23.884 1.00 0.00 H new ATOM 0 HD2 ARG A 114 81.919 24.851 -23.665 1.00 0.00 H new ATOM 0 HD3 ARG A 114 81.126 24.719 -22.108 1.00 0.00 H new ATOM 0 HE ARG A 114 79.012 24.584 -23.153 1.00 0.00 H new ATOM 0 HH11 ARG A 114 81.471 25.116 -25.642 1.00 0.00 H new ATOM 0 HH12 ARG A 114 80.363 24.622 -26.927 1.00 0.00 H new ATOM 0 HH21 ARG A 114 77.716 23.955 -24.828 1.00 0.00 H new ATOM 0 HH22 ARG A 114 78.328 23.993 -26.485 1.00 0.00 H new TER 1531 ARG A 114