USER MOD reduce.3.24.130724 H: found=0, std=0, add=915, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 915 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 125 ASN : amide:sc= 0.428 K(o=2.7,f=-5.1!) USER MOD Set 1.2: A 129 LYS NZ :NH3+ -172:sc= 2.23 (180deg=0.999) USER MOD Set 2.1: A 78 SER OG : rot -72:sc= 1.5 USER MOD Set 2.2: A 80 CYS SG : rot 95:sc= 0.0382 USER MOD Set 3.1: A 43 HIS : no HE2:sc= 0.599 K(o=1.2,f=-3.3!) USER MOD Set 3.2: A 45 THR OG1 : rot 103:sc= 0.621 USER MOD Set 4.1: A 16 GLN : amide:sc= 0.435 K(o=5.6,f=4.1) USER MOD Set 4.2: A 34 SER OG : rot -93:sc= 1.35 USER MOD Set 4.3: A 40 SER OG : rot 180:sc= 1.03 USER MOD Set 4.4: A 60 GLN : amide:sc= 1.54 K(o=5.6,f=-0.95!) USER MOD Set 4.5: A 62 SER OG : rot 147:sc= 1.26 USER MOD Set 5.1: A 8 CYS SG : rot 180:sc=-0.00959 USER MOD Set 5.2: A 15 SER OG : rot 178:sc= 0.573 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 135:sc= 0.0149 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 174:sc= 1.25 (180deg=1.19) USER MOD Single : A 5 MET CE :methyl -174:sc= -0.95 (180deg=-1.08) USER MOD Single : A 17 MET CE :methyl 153:sc= -0.132 (180deg=-1.15) USER MOD Single : A 23 LYS NZ :NH3+ -160:sc= 1.2 (180deg=1.12) USER MOD Single : A 24 THR OG1 : rot 76:sc= 0.688 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot -150:sc= 0 USER MOD Single : A 35 CYS SG : rot 44:sc= 0.207 USER MOD Single : A 39 SER OG : rot 180:sc= 0.168 USER MOD Single : A 49 MET CE :methyl -158:sc= -0.0295 (180deg=-0.155) USER MOD Single : A 50 MET CE :methyl -161:sc= 0 (180deg=-0.185) USER MOD Single : A 58 SER OG : rot -84:sc= 1.26 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 2.34 K(o=2.3,f=-0.007) USER MOD Single : A 69 ASN : amide:sc= 1.01 K(o=1,f=-0.099) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 92 THR OG1 : rot -36:sc= 0.318 USER MOD Single : A 93 GLN : amide:sc= -0.32! C(o=-0.32!,f=-4.8!) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 108 SER OG : rot 180:sc= -0.0238 USER MOD Single : A 114 THR OG1 : rot 80:sc= 1.3 USER MOD Single : A 118 GLN : amide:sc= 0.464 X(o=0.46,f=-0.017) USER MOD Single : A 120 LYS NZ :NH3+ -171:sc= 1.24 (180deg=1.13) USER MOD Single : A 131 SER OG : rot 74:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.471 1.878 1.353 1.00 0.00 N ATOM 2 CA MET A 1 3.636 1.654 -0.121 1.00 0.00 C ATOM 3 C MET A 1 4.622 0.499 -0.397 1.00 0.00 C ATOM 4 O MET A 1 5.615 0.366 0.316 1.00 0.00 O ATOM 5 CB MET A 1 4.062 2.964 -0.843 1.00 0.00 C ATOM 6 CG MET A 1 4.228 2.830 -2.370 1.00 0.00 C ATOM 7 SD MET A 1 4.542 4.386 -3.255 1.00 0.00 S ATOM 8 CE MET A 1 2.862 5.067 -3.324 1.00 0.00 C ATOM 0 H1 MET A 1 3.514 2.897 1.556 1.00 0.00 H new ATOM 0 H2 MET A 1 2.551 1.502 1.660 1.00 0.00 H new ATOM 0 H3 MET A 1 4.233 1.390 1.866 1.00 0.00 H new ATOM 0 HA MET A 1 2.669 1.361 -0.530 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.319 3.735 -0.638 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.004 3.308 -0.417 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.051 2.144 -2.571 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.326 2.374 -2.779 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.880 6.027 -3.839 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.212 4.378 -3.863 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.484 5.206 -2.311 1.00 0.00 H new ATOM 18 N LYS A 2 4.375 -0.319 -1.437 1.00 0.00 N ATOM 19 CA LYS A 2 5.255 -1.432 -1.845 1.00 0.00 C ATOM 20 C LYS A 2 6.542 -0.932 -2.489 1.00 0.00 C ATOM 21 O LYS A 2 6.503 -0.006 -3.301 1.00 0.00 O ATOM 22 CB LYS A 2 4.537 -2.392 -2.815 1.00 0.00 C ATOM 23 CG LYS A 2 3.324 -3.129 -2.222 1.00 0.00 C ATOM 24 CD LYS A 2 2.488 -3.781 -3.341 1.00 0.00 C ATOM 25 CE LYS A 2 1.538 -2.803 -4.063 1.00 0.00 C ATOM 26 NZ LYS A 2 0.266 -2.567 -3.311 1.00 0.00 N ATOM 0 H LYS A 2 3.548 -0.225 -2.026 1.00 0.00 H new ATOM 0 HA LYS A 2 5.510 -1.972 -0.933 1.00 0.00 H new ATOM 0 HB2 LYS A 2 4.208 -1.825 -3.686 1.00 0.00 H new ATOM 0 HB3 LYS A 2 5.255 -3.132 -3.168 1.00 0.00 H new ATOM 0 HG2 LYS A 2 3.662 -3.892 -1.521 1.00 0.00 H new ATOM 0 HG3 LYS A 2 2.706 -2.430 -1.659 1.00 0.00 H new ATOM 0 HD2 LYS A 2 3.163 -4.224 -4.074 1.00 0.00 H new ATOM 0 HD3 LYS A 2 1.901 -4.595 -2.915 1.00 0.00 H new ATOM 0 HE2 LYS A 2 2.048 -1.851 -4.212 1.00 0.00 H new ATOM 0 HE3 LYS A 2 1.302 -3.196 -5.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -0.333 -1.903 -3.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -0.239 -3.468 -3.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 0.484 -2.165 -2.377 1.00 0.00 H new ATOM 40 N LYS A 3 7.655 -1.609 -2.216 1.00 0.00 N ATOM 41 CA LYS A 3 8.948 -1.390 -2.879 1.00 0.00 C ATOM 42 C LYS A 3 9.286 -2.549 -3.820 1.00 0.00 C ATOM 43 O LYS A 3 9.273 -3.711 -3.418 1.00 0.00 O ATOM 44 CB LYS A 3 10.009 -1.134 -1.801 1.00 0.00 C ATOM 45 CG LYS A 3 11.294 -0.481 -2.331 1.00 0.00 C ATOM 46 CD LYS A 3 12.295 -0.173 -1.203 1.00 0.00 C ATOM 47 CE LYS A 3 11.705 0.774 -0.143 1.00 0.00 C ATOM 48 NZ LYS A 3 12.702 1.125 0.906 1.00 0.00 N ATOM 0 H LYS A 3 7.688 -2.345 -1.510 1.00 0.00 H new ATOM 0 HA LYS A 3 8.909 -0.510 -3.521 1.00 0.00 H new ATOM 0 HB2 LYS A 3 9.581 -0.495 -1.029 1.00 0.00 H new ATOM 0 HB3 LYS A 3 10.264 -2.081 -1.325 1.00 0.00 H new ATOM 0 HG2 LYS A 3 11.762 -1.143 -3.060 1.00 0.00 H new ATOM 0 HG3 LYS A 3 11.042 0.442 -2.854 1.00 0.00 H new ATOM 0 HD2 LYS A 3 12.600 -1.104 -0.726 1.00 0.00 H new ATOM 0 HD3 LYS A 3 13.193 0.276 -1.629 1.00 0.00 H new ATOM 0 HE2 LYS A 3 11.351 1.685 -0.627 1.00 0.00 H new ATOM 0 HE3 LYS A 3 10.839 0.303 0.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 12.299 1.842 1.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 12.945 0.274 1.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 13.560 1.504 0.457 1.00 0.00 H new ATOM 62 N VAL A 4 9.571 -2.205 -5.076 1.00 0.00 N ATOM 63 CA VAL A 4 9.887 -3.111 -6.188 1.00 0.00 C ATOM 64 C VAL A 4 11.395 -3.141 -6.428 1.00 0.00 C ATOM 65 O VAL A 4 11.954 -2.135 -6.856 1.00 0.00 O ATOM 66 CB VAL A 4 9.160 -2.651 -7.470 1.00 0.00 C ATOM 67 CG1 VAL A 4 9.459 -3.570 -8.662 1.00 0.00 C ATOM 68 CG2 VAL A 4 7.637 -2.617 -7.284 1.00 0.00 C ATOM 0 H VAL A 4 9.589 -1.227 -5.365 1.00 0.00 H new ATOM 0 HA VAL A 4 9.549 -4.115 -5.930 1.00 0.00 H new ATOM 0 HB VAL A 4 9.535 -1.647 -7.671 1.00 0.00 H new ATOM 0 HG11 VAL A 4 8.927 -3.209 -9.542 1.00 0.00 H new ATOM 0 HG12 VAL A 4 10.531 -3.571 -8.861 1.00 0.00 H new ATOM 0 HG13 VAL A 4 9.132 -4.584 -8.431 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.165 -2.288 -8.210 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.279 -3.614 -7.029 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.384 -1.924 -6.481 1.00 0.00 H new ATOM 78 N MET A 5 12.068 -4.271 -6.197 1.00 0.00 N ATOM 79 CA MET A 5 13.470 -4.430 -6.626 1.00 0.00 C ATOM 80 C MET A 5 13.546 -5.204 -7.943 1.00 0.00 C ATOM 81 O MET A 5 13.036 -6.320 -8.036 1.00 0.00 O ATOM 82 CB MET A 5 14.353 -5.097 -5.562 1.00 0.00 C ATOM 83 CG MET A 5 15.836 -4.976 -5.961 1.00 0.00 C ATOM 84 SD MET A 5 17.019 -5.796 -4.859 1.00 0.00 S ATOM 85 CE MET A 5 17.011 -4.652 -3.461 1.00 0.00 C ATOM 0 H MET A 5 11.675 -5.084 -5.721 1.00 0.00 H new ATOM 0 HA MET A 5 13.863 -3.424 -6.774 1.00 0.00 H new ATOM 0 HB2 MET A 5 14.188 -4.626 -4.593 1.00 0.00 H new ATOM 0 HB3 MET A 5 14.080 -6.147 -5.457 1.00 0.00 H new ATOM 0 HG2 MET A 5 15.958 -5.386 -6.964 1.00 0.00 H new ATOM 0 HG3 MET A 5 16.093 -3.918 -6.016 1.00 0.00 H new ATOM 0 HE1 MET A 5 17.769 -4.955 -2.738 1.00 0.00 H new ATOM 0 HE2 MET A 5 17.229 -3.644 -3.814 1.00 0.00 H new ATOM 0 HE3 MET A 5 16.030 -4.665 -2.986 1.00 0.00 H new ATOM 95 N PHE A 6 14.224 -4.635 -8.936 1.00 0.00 N ATOM 96 CA PHE A 6 14.587 -5.315 -10.178 1.00 0.00 C ATOM 97 C PHE A 6 15.997 -5.918 -10.038 1.00 0.00 C ATOM 98 O PHE A 6 16.918 -5.200 -9.635 1.00 0.00 O ATOM 99 CB PHE A 6 14.457 -4.336 -11.353 1.00 0.00 C ATOM 100 CG PHE A 6 13.021 -3.960 -11.678 1.00 0.00 C ATOM 101 CD1 PHE A 6 12.191 -4.875 -12.349 1.00 0.00 C ATOM 102 CD2 PHE A 6 12.499 -2.711 -11.295 1.00 0.00 C ATOM 103 CE1 PHE A 6 10.865 -4.541 -12.671 1.00 0.00 C ATOM 104 CE2 PHE A 6 11.168 -2.381 -11.614 1.00 0.00 C ATOM 105 CZ PHE A 6 10.354 -3.285 -12.318 1.00 0.00 C ATOM 0 H PHE A 6 14.544 -3.667 -8.900 1.00 0.00 H new ATOM 0 HA PHE A 6 13.909 -6.143 -10.382 1.00 0.00 H new ATOM 0 HB2 PHE A 6 15.018 -3.430 -11.123 1.00 0.00 H new ATOM 0 HB3 PHE A 6 14.916 -4.779 -12.237 1.00 0.00 H new ATOM 0 HD1 PHE A 6 12.577 -5.846 -12.620 1.00 0.00 H new ATOM 0 HD2 PHE A 6 13.118 -2.007 -10.758 1.00 0.00 H new ATOM 0 HE1 PHE A 6 10.240 -5.252 -13.190 1.00 0.00 H new ATOM 0 HE2 PHE A 6 10.768 -1.423 -11.315 1.00 0.00 H new ATOM 0 HZ PHE A 6 9.343 -3.014 -12.585 1.00 0.00 H new ATOM 115 N VAL A 7 16.156 -7.221 -10.317 1.00 0.00 N ATOM 116 CA VAL A 7 17.400 -7.989 -10.078 1.00 0.00 C ATOM 117 C VAL A 7 17.898 -8.736 -11.323 1.00 0.00 C ATOM 118 O VAL A 7 17.124 -9.372 -12.035 1.00 0.00 O ATOM 119 CB VAL A 7 17.308 -8.910 -8.840 1.00 0.00 C ATOM 120 CG1 VAL A 7 16.908 -8.108 -7.598 1.00 0.00 C ATOM 121 CG2 VAL A 7 16.330 -10.082 -8.969 1.00 0.00 C ATOM 0 H VAL A 7 15.411 -7.787 -10.724 1.00 0.00 H new ATOM 0 HA VAL A 7 18.161 -7.242 -9.851 1.00 0.00 H new ATOM 0 HB VAL A 7 18.309 -9.332 -8.752 1.00 0.00 H new ATOM 0 HG11 VAL A 7 16.849 -8.775 -6.738 1.00 0.00 H new ATOM 0 HG12 VAL A 7 17.653 -7.336 -7.408 1.00 0.00 H new ATOM 0 HG13 VAL A 7 15.937 -7.642 -7.763 1.00 0.00 H new ATOM 0 HG21 VAL A 7 16.339 -10.667 -8.049 1.00 0.00 H new ATOM 0 HG22 VAL A 7 15.325 -9.699 -9.146 1.00 0.00 H new ATOM 0 HG23 VAL A 7 16.629 -10.715 -9.804 1.00 0.00 H new ATOM 131 N CYS A 8 19.206 -8.667 -11.598 1.00 0.00 N ATOM 132 CA CYS A 8 19.827 -9.222 -12.812 1.00 0.00 C ATOM 133 C CYS A 8 21.250 -9.760 -12.557 1.00 0.00 C ATOM 134 O CYS A 8 21.763 -9.665 -11.443 1.00 0.00 O ATOM 135 CB CYS A 8 19.772 -8.135 -13.905 1.00 0.00 C ATOM 136 SG CYS A 8 20.983 -6.804 -13.604 1.00 0.00 S ATOM 0 H CYS A 8 19.876 -8.217 -10.974 1.00 0.00 H new ATOM 0 HA CYS A 8 19.271 -10.098 -13.148 1.00 0.00 H new ATOM 0 HB2 CYS A 8 19.965 -8.588 -14.877 1.00 0.00 H new ATOM 0 HB3 CYS A 8 18.769 -7.711 -13.945 1.00 0.00 H new ATOM 0 HG CYS A 8 20.898 -5.917 -14.551 1.00 0.00 H new ATOM 224 N ARG A 14 19.582 -5.025 -17.463 1.00 0.00 N ATOM 225 CA ARG A 14 18.118 -5.183 -17.473 1.00 0.00 C ATOM 226 C ARG A 14 17.468 -4.673 -16.190 1.00 0.00 C ATOM 227 O ARG A 14 16.440 -4.025 -16.287 1.00 0.00 O ATOM 228 CB ARG A 14 17.787 -6.654 -17.830 1.00 0.00 C ATOM 229 CG ARG A 14 18.159 -6.947 -19.300 1.00 0.00 C ATOM 230 CD ARG A 14 18.246 -8.446 -19.623 1.00 0.00 C ATOM 231 NE ARG A 14 19.614 -8.983 -19.497 1.00 0.00 N ATOM 232 CZ ARG A 14 19.960 -10.248 -19.314 1.00 0.00 C ATOM 233 NH1 ARG A 14 19.141 -11.155 -18.872 1.00 0.00 N ATOM 234 NH2 ARG A 14 21.170 -10.638 -19.575 1.00 0.00 N ATOM 0 HA ARG A 14 17.676 -4.550 -18.242 1.00 0.00 H new ATOM 0 HB2 ARG A 14 18.333 -7.327 -17.169 1.00 0.00 H new ATOM 0 HB3 ARG A 14 16.725 -6.843 -17.672 1.00 0.00 H new ATOM 0 HG2 ARG A 14 17.418 -6.485 -19.953 1.00 0.00 H new ATOM 0 HG3 ARG A 14 19.118 -6.479 -19.524 1.00 0.00 H new ATOM 0 HD2 ARG A 14 17.583 -8.995 -18.955 1.00 0.00 H new ATOM 0 HD3 ARG A 14 17.887 -8.615 -20.638 1.00 0.00 H new ATOM 0 HE ARG A 14 20.376 -8.307 -19.557 1.00 0.00 H new ATOM 0 HH11 ARG A 14 18.178 -10.906 -18.647 1.00 0.00 H new ATOM 0 HH12 ARG A 14 19.462 -12.116 -18.750 1.00 0.00 H new ATOM 0 HH21 ARG A 14 21.858 -9.969 -19.922 1.00 0.00 H new ATOM 0 HH22 ARG A 14 21.433 -11.613 -19.433 1.00 0.00 H new ATOM 248 N SER A 15 18.097 -4.800 -15.019 1.00 0.00 N ATOM 249 CA SER A 15 17.607 -4.134 -13.790 1.00 0.00 C ATOM 250 C SER A 15 17.639 -2.617 -13.874 1.00 0.00 C ATOM 251 O SER A 15 16.731 -1.958 -13.376 1.00 0.00 O ATOM 252 CB SER A 15 18.446 -4.505 -12.579 1.00 0.00 C ATOM 253 OG SER A 15 18.241 -5.862 -12.321 1.00 0.00 O ATOM 0 H SER A 15 18.944 -5.353 -14.887 1.00 0.00 H new ATOM 0 HA SER A 15 16.578 -4.480 -13.690 1.00 0.00 H new ATOM 0 HB2 SER A 15 19.501 -4.307 -12.769 1.00 0.00 H new ATOM 0 HB3 SER A 15 18.159 -3.904 -11.716 1.00 0.00 H new ATOM 0 HG SER A 15 18.803 -6.140 -11.568 1.00 0.00 H new ATOM 259 N GLN A 16 18.665 -2.054 -14.515 1.00 0.00 N ATOM 260 CA GLN A 16 18.822 -0.605 -14.642 1.00 0.00 C ATOM 261 C GLN A 16 17.764 -0.043 -15.585 1.00 0.00 C ATOM 262 O GLN A 16 17.079 0.917 -15.238 1.00 0.00 O ATOM 263 CB GLN A 16 20.246 -0.271 -15.143 1.00 0.00 C ATOM 264 CG GLN A 16 21.403 -0.868 -14.326 1.00 0.00 C ATOM 265 CD GLN A 16 21.203 -0.804 -12.813 1.00 0.00 C ATOM 266 OE1 GLN A 16 21.122 -1.820 -12.142 1.00 0.00 O ATOM 267 NE2 GLN A 16 21.088 0.366 -12.234 1.00 0.00 N ATOM 0 H GLN A 16 19.410 -2.590 -14.960 1.00 0.00 H new ATOM 0 HA GLN A 16 18.685 -0.142 -13.665 1.00 0.00 H new ATOM 0 HB2 GLN A 16 20.338 -0.616 -16.173 1.00 0.00 H new ATOM 0 HB3 GLN A 16 20.360 0.813 -15.159 1.00 0.00 H new ATOM 0 HG2 GLN A 16 21.540 -1.909 -14.619 1.00 0.00 H new ATOM 0 HG3 GLN A 16 22.322 -0.341 -14.582 1.00 0.00 H new ATOM 0 HE21 GLN A 16 21.155 1.219 -12.790 1.00 0.00 H new ATOM 0 HE22 GLN A 16 20.932 0.424 -11.228 1.00 0.00 H new ATOM 276 N MET A 17 17.553 -0.692 -16.735 1.00 0.00 N ATOM 277 CA MET A 17 16.525 -0.254 -17.682 1.00 0.00 C ATOM 278 C MET A 17 15.108 -0.549 -17.183 1.00 0.00 C ATOM 279 O MET A 17 14.232 0.301 -17.333 1.00 0.00 O ATOM 280 CB MET A 17 16.802 -0.847 -19.076 1.00 0.00 C ATOM 281 CG MET A 17 16.200 0.040 -20.173 1.00 0.00 C ATOM 282 SD MET A 17 16.966 1.682 -20.210 1.00 0.00 S ATOM 283 CE MET A 17 15.592 2.768 -19.732 1.00 0.00 C ATOM 0 H MET A 17 18.077 -1.516 -17.030 1.00 0.00 H new ATOM 0 HA MET A 17 16.579 0.831 -17.765 1.00 0.00 H new ATOM 0 HB2 MET A 17 17.877 -0.943 -19.229 1.00 0.00 H new ATOM 0 HB3 MET A 17 16.380 -1.850 -19.140 1.00 0.00 H new ATOM 0 HG2 MET A 17 16.329 -0.443 -21.142 1.00 0.00 H new ATOM 0 HG3 MET A 17 15.127 0.143 -20.009 1.00 0.00 H new ATOM 0 HE1 MET A 17 15.987 3.668 -19.260 1.00 0.00 H new ATOM 0 HE2 MET A 17 15.021 3.044 -20.618 1.00 0.00 H new ATOM 0 HE3 MET A 17 14.943 2.245 -19.030 1.00 0.00 H new ATOM 293 N ALA A 18 14.884 -1.700 -16.535 1.00 0.00 N ATOM 294 CA ALA A 18 13.601 -1.994 -15.880 1.00 0.00 C ATOM 295 C ALA A 18 13.274 -0.969 -14.790 1.00 0.00 C ATOM 296 O ALA A 18 12.194 -0.382 -14.804 1.00 0.00 O ATOM 297 CB ALA A 18 13.616 -3.424 -15.340 1.00 0.00 C ATOM 0 H ALA A 18 15.576 -2.445 -16.450 1.00 0.00 H new ATOM 0 HA ALA A 18 12.803 -1.915 -16.619 1.00 0.00 H new ATOM 0 HB1 ALA A 18 12.664 -3.640 -14.855 1.00 0.00 H new ATOM 0 HB2 ALA A 18 13.770 -4.122 -16.163 1.00 0.00 H new ATOM 0 HB3 ALA A 18 14.424 -3.531 -14.617 1.00 0.00 H new ATOM 303 N GLU A 19 14.228 -0.648 -13.911 1.00 0.00 N ATOM 304 CA GLU A 19 14.028 0.426 -12.939 1.00 0.00 C ATOM 305 C GLU A 19 13.809 1.778 -13.622 1.00 0.00 C ATOM 306 O GLU A 19 12.917 2.497 -13.204 1.00 0.00 O ATOM 307 CB GLU A 19 15.160 0.476 -11.917 1.00 0.00 C ATOM 308 CG GLU A 19 14.852 1.429 -10.750 1.00 0.00 C ATOM 309 CD GLU A 19 15.993 2.424 -10.512 1.00 0.00 C ATOM 310 OE1 GLU A 19 16.959 2.051 -9.805 1.00 0.00 O ATOM 311 OE2 GLU A 19 15.927 3.551 -11.059 1.00 0.00 O ATOM 0 H GLU A 19 15.135 -1.111 -13.854 1.00 0.00 H new ATOM 0 HA GLU A 19 13.114 0.200 -12.390 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.339 -0.526 -11.527 1.00 0.00 H new ATOM 0 HB3 GLU A 19 16.078 0.795 -12.411 1.00 0.00 H new ATOM 0 HG2 GLU A 19 13.932 1.974 -10.959 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.680 0.849 -9.843 1.00 0.00 H new ATOM 318 N GLY A 20 14.513 2.089 -14.714 1.00 0.00 N ATOM 319 CA GLY A 20 14.349 3.337 -15.470 1.00 0.00 C ATOM 320 C GLY A 20 12.922 3.580 -15.947 1.00 0.00 C ATOM 321 O GLY A 20 12.314 4.593 -15.600 1.00 0.00 O ATOM 0 H GLY A 20 15.225 1.472 -15.105 1.00 0.00 H new ATOM 0 HA2 GLY A 20 14.662 4.174 -14.845 1.00 0.00 H new ATOM 0 HA3 GLY A 20 15.013 3.318 -16.334 1.00 0.00 H new ATOM 325 N PHE A 21 12.333 2.632 -16.683 1.00 0.00 N ATOM 326 CA PHE A 21 10.918 2.744 -17.072 1.00 0.00 C ATOM 327 C PHE A 21 9.999 2.728 -15.847 1.00 0.00 C ATOM 328 O PHE A 21 9.056 3.513 -15.777 1.00 0.00 O ATOM 329 CB PHE A 21 10.532 1.651 -18.081 1.00 0.00 C ATOM 330 CG PHE A 21 10.977 1.932 -19.495 1.00 0.00 C ATOM 331 CD1 PHE A 21 10.166 2.729 -20.323 1.00 0.00 C ATOM 332 CD2 PHE A 21 12.165 1.378 -20.000 1.00 0.00 C ATOM 333 CE1 PHE A 21 10.546 2.983 -21.648 1.00 0.00 C ATOM 334 CE2 PHE A 21 12.551 1.642 -21.323 1.00 0.00 C ATOM 335 CZ PHE A 21 11.744 2.452 -22.144 1.00 0.00 C ATOM 0 H PHE A 21 12.802 1.791 -17.018 1.00 0.00 H new ATOM 0 HA PHE A 21 10.785 3.707 -17.564 1.00 0.00 H new ATOM 0 HB2 PHE A 21 10.964 0.704 -17.757 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.449 1.528 -18.070 1.00 0.00 H new ATOM 0 HD1 PHE A 21 9.248 3.146 -19.937 1.00 0.00 H new ATOM 0 HD2 PHE A 21 12.780 0.751 -19.372 1.00 0.00 H new ATOM 0 HE1 PHE A 21 9.917 3.587 -22.285 1.00 0.00 H new ATOM 0 HE2 PHE A 21 13.468 1.224 -21.712 1.00 0.00 H new ATOM 0 HZ PHE A 21 12.049 2.665 -23.158 1.00 0.00 H new ATOM 345 N ALA A 22 10.296 1.922 -14.827 1.00 0.00 N ATOM 346 CA ALA A 22 9.463 1.838 -13.629 1.00 0.00 C ATOM 347 C ALA A 22 9.485 3.109 -12.752 1.00 0.00 C ATOM 348 O ALA A 22 8.431 3.486 -12.255 1.00 0.00 O ATOM 349 CB ALA A 22 9.868 0.580 -12.864 1.00 0.00 C ATOM 0 H ALA A 22 11.115 1.314 -14.808 1.00 0.00 H new ATOM 0 HA ALA A 22 8.419 1.768 -13.935 1.00 0.00 H new ATOM 0 HB1 ALA A 22 9.261 0.491 -11.963 1.00 0.00 H new ATOM 0 HB2 ALA A 22 9.712 -0.295 -13.494 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.920 0.645 -12.588 1.00 0.00 H new ATOM 355 N LYS A 23 10.601 3.844 -12.634 1.00 0.00 N ATOM 356 CA LYS A 23 10.643 5.157 -11.946 1.00 0.00 C ATOM 357 C LYS A 23 9.953 6.278 -12.738 1.00 0.00 C ATOM 358 O LYS A 23 9.578 7.290 -12.153 1.00 0.00 O ATOM 359 CB LYS A 23 12.081 5.547 -11.519 1.00 0.00 C ATOM 360 CG LYS A 23 13.066 5.842 -12.665 1.00 0.00 C ATOM 361 CD LYS A 23 14.325 6.616 -12.229 1.00 0.00 C ATOM 362 CE LYS A 23 14.029 8.096 -11.928 1.00 0.00 C ATOM 363 NZ LYS A 23 15.269 8.862 -11.597 1.00 0.00 N ATOM 0 H LYS A 23 11.503 3.551 -13.010 1.00 0.00 H new ATOM 0 HA LYS A 23 10.059 5.033 -11.034 1.00 0.00 H new ATOM 0 HB2 LYS A 23 12.023 6.428 -10.880 1.00 0.00 H new ATOM 0 HB3 LYS A 23 12.491 4.739 -10.912 1.00 0.00 H new ATOM 0 HG2 LYS A 23 13.371 4.899 -13.119 1.00 0.00 H new ATOM 0 HG3 LYS A 23 12.549 6.414 -13.435 1.00 0.00 H new ATOM 0 HD2 LYS A 23 14.748 6.145 -11.342 1.00 0.00 H new ATOM 0 HD3 LYS A 23 15.078 6.551 -13.014 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.542 8.551 -12.791 1.00 0.00 H new ATOM 0 HE3 LYS A 23 13.329 8.163 -11.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 15.014 9.730 -11.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 15.890 8.277 -11.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 15.767 9.112 -12.475 1.00 0.00 H new ATOM 377 N THR A 24 9.759 6.088 -14.049 1.00 0.00 N ATOM 378 CA THR A 24 9.059 7.050 -14.924 1.00 0.00 C ATOM 379 C THR A 24 7.546 6.787 -14.973 1.00 0.00 C ATOM 380 O THR A 24 6.753 7.717 -14.845 1.00 0.00 O ATOM 381 CB THR A 24 9.656 7.049 -16.343 1.00 0.00 C ATOM 382 OG1 THR A 24 11.068 7.142 -16.300 1.00 0.00 O ATOM 383 CG2 THR A 24 9.174 8.248 -17.155 1.00 0.00 C ATOM 0 H THR A 24 10.085 5.256 -14.541 1.00 0.00 H new ATOM 0 HA THR A 24 9.207 8.039 -14.490 1.00 0.00 H new ATOM 0 HB THR A 24 9.334 6.115 -16.804 1.00 0.00 H new ATOM 0 HG1 THR A 24 11.445 6.274 -16.045 1.00 0.00 H new ATOM 0 HG21 THR A 24 9.616 8.214 -18.151 1.00 0.00 H new ATOM 0 HG22 THR A 24 8.088 8.218 -17.239 1.00 0.00 H new ATOM 0 HG23 THR A 24 9.474 9.170 -16.656 1.00 0.00 H new ATOM 391 N LEU A 25 7.133 5.518 -15.124 1.00 0.00 N ATOM 392 CA LEU A 25 5.726 5.109 -15.319 1.00 0.00 C ATOM 393 C LEU A 25 5.036 4.689 -14.012 1.00 0.00 C ATOM 394 O LEU A 25 3.849 4.943 -13.818 1.00 0.00 O ATOM 395 CB LEU A 25 5.668 3.968 -16.357 1.00 0.00 C ATOM 396 CG LEU A 25 6.367 4.272 -17.695 1.00 0.00 C ATOM 397 CD1 LEU A 25 6.244 3.070 -18.625 1.00 0.00 C ATOM 398 CD2 LEU A 25 5.782 5.491 -18.408 1.00 0.00 C ATOM 0 H LEU A 25 7.779 4.729 -15.114 1.00 0.00 H new ATOM 0 HA LEU A 25 5.177 5.977 -15.685 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.121 3.077 -15.922 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.623 3.730 -16.556 1.00 0.00 H new ATOM 0 HG LEU A 25 7.409 4.486 -17.459 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.740 3.289 -19.571 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.713 2.202 -18.162 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.191 2.858 -18.808 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.315 5.655 -19.344 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.726 5.318 -18.617 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.887 6.370 -17.772 1.00 0.00 H new ATOM 410 N GLY A 26 5.804 4.084 -13.102 1.00 0.00 N ATOM 411 CA GLY A 26 5.412 3.772 -11.721 1.00 0.00 C ATOM 412 C GLY A 26 5.603 4.944 -10.760 1.00 0.00 C ATOM 413 O GLY A 26 5.385 4.771 -9.561 1.00 0.00 O ATOM 0 H GLY A 26 6.756 3.785 -13.314 1.00 0.00 H new ATOM 0 HA2 GLY A 26 4.366 3.467 -11.708 1.00 0.00 H new ATOM 0 HA3 GLY A 26 5.996 2.922 -11.368 1.00 0.00 H new ATOM 417 N ALA A 27 5.993 6.124 -11.265 1.00 0.00 N ATOM 418 CA ALA A 27 6.075 7.360 -10.477 1.00 0.00 C ATOM 419 C ALA A 27 4.793 7.594 -9.644 1.00 0.00 C ATOM 420 O ALA A 27 3.696 7.739 -10.191 1.00 0.00 O ATOM 421 CB ALA A 27 6.327 8.539 -11.427 1.00 0.00 C ATOM 0 H ALA A 27 6.263 6.247 -12.241 1.00 0.00 H new ATOM 0 HA ALA A 27 6.900 7.271 -9.770 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.390 9.463 -10.852 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.263 8.381 -11.963 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.508 8.612 -12.142 1.00 0.00 H new ATOM 427 N GLY A 28 4.928 7.598 -8.310 1.00 0.00 N ATOM 428 CA GLY A 28 3.807 7.766 -7.372 1.00 0.00 C ATOM 429 C GLY A 28 2.855 6.565 -7.250 1.00 0.00 C ATOM 430 O GLY A 28 1.762 6.725 -6.702 1.00 0.00 O ATOM 0 H GLY A 28 5.829 7.483 -7.846 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.213 7.986 -6.385 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.227 8.636 -7.679 1.00 0.00 H new ATOM 434 N LYS A 29 3.237 5.371 -7.739 1.00 0.00 N ATOM 435 CA LYS A 29 2.444 4.124 -7.650 1.00 0.00 C ATOM 436 C LYS A 29 3.095 3.140 -6.685 1.00 0.00 C ATOM 437 O LYS A 29 2.428 2.531 -5.853 1.00 0.00 O ATOM 438 CB LYS A 29 2.321 3.462 -9.038 1.00 0.00 C ATOM 439 CG LYS A 29 1.703 4.336 -10.141 1.00 0.00 C ATOM 440 CD LYS A 29 0.267 4.782 -9.823 1.00 0.00 C ATOM 441 CE LYS A 29 -0.314 5.581 -10.999 1.00 0.00 C ATOM 442 NZ LYS A 29 -1.704 6.041 -10.719 1.00 0.00 N ATOM 0 H LYS A 29 4.127 5.240 -8.219 1.00 0.00 H new ATOM 0 HA LYS A 29 1.452 4.385 -7.283 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.314 3.150 -9.361 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.720 2.558 -8.937 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.326 5.218 -10.290 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.706 3.782 -11.080 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.356 3.910 -9.623 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.260 5.393 -8.920 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.321 6.443 -11.202 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.309 4.963 -11.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.063 6.577 -11.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -2.315 5.217 -10.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -1.705 6.651 -9.877 1.00 0.00 H new ATOM 456 N ILE A 30 4.417 3.019 -6.821 1.00 0.00 N ATOM 457 CA ILE A 30 5.298 2.164 -6.026 1.00 0.00 C ATOM 458 C ILE A 30 6.675 2.813 -5.819 1.00 0.00 C ATOM 459 O ILE A 30 7.069 3.723 -6.547 1.00 0.00 O ATOM 460 CB ILE A 30 5.443 0.756 -6.665 1.00 0.00 C ATOM 461 CG1 ILE A 30 5.498 0.655 -8.208 1.00 0.00 C ATOM 462 CG2 ILE A 30 4.322 -0.166 -6.160 1.00 0.00 C ATOM 463 CD1 ILE A 30 6.731 1.309 -8.842 1.00 0.00 C ATOM 0 H ILE A 30 4.929 3.545 -7.529 1.00 0.00 H new ATOM 0 HA ILE A 30 4.835 2.044 -5.046 1.00 0.00 H new ATOM 0 HB ILE A 30 6.438 0.451 -6.340 1.00 0.00 H new ATOM 0 HG12 ILE A 30 5.473 -0.397 -8.492 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.603 1.118 -8.622 1.00 0.00 H new ATOM 0 HG21 ILE A 30 4.430 -1.152 -6.612 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.385 -0.256 -5.076 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.354 0.254 -6.433 1.00 0.00 H new ATOM 0 HD11 ILE A 30 6.689 1.192 -9.925 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.749 2.370 -8.592 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.633 0.831 -8.460 1.00 0.00 H new ATOM 475 N ALA A 31 7.415 2.313 -4.827 1.00 0.00 N ATOM 476 CA ALA A 31 8.830 2.639 -4.636 1.00 0.00 C ATOM 477 C ALA A 31 9.649 1.647 -5.478 1.00 0.00 C ATOM 478 O ALA A 31 9.209 0.515 -5.681 1.00 0.00 O ATOM 479 CB ALA A 31 9.168 2.607 -3.140 1.00 0.00 C ATOM 0 H ALA A 31 7.047 1.666 -4.129 1.00 0.00 H new ATOM 0 HA ALA A 31 9.072 3.647 -4.973 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.221 2.850 -3.000 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.554 3.337 -2.613 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.969 1.611 -2.743 1.00 0.00 H new ATOM 485 N VAL A 32 10.817 2.029 -5.995 1.00 0.00 N ATOM 486 CA VAL A 32 11.554 1.182 -6.953 1.00 0.00 C ATOM 487 C VAL A 32 13.081 1.278 -6.827 1.00 0.00 C ATOM 488 O VAL A 32 13.630 2.350 -6.569 1.00 0.00 O ATOM 489 CB VAL A 32 11.054 1.456 -8.382 1.00 0.00 C ATOM 490 CG1 VAL A 32 11.468 2.818 -8.942 1.00 0.00 C ATOM 491 CG2 VAL A 32 11.495 0.364 -9.351 1.00 0.00 C ATOM 0 H VAL A 32 11.277 2.912 -5.773 1.00 0.00 H new ATOM 0 HA VAL A 32 11.337 0.144 -6.701 1.00 0.00 H new ATOM 0 HB VAL A 32 9.968 1.461 -8.293 1.00 0.00 H new ATOM 0 HG11 VAL A 32 11.075 2.931 -9.952 1.00 0.00 H new ATOM 0 HG12 VAL A 32 11.069 3.609 -8.307 1.00 0.00 H new ATOM 0 HG13 VAL A 32 12.556 2.886 -8.966 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.123 0.592 -10.350 1.00 0.00 H new ATOM 0 HG22 VAL A 32 12.584 0.314 -9.372 1.00 0.00 H new ATOM 0 HG23 VAL A 32 11.094 -0.596 -9.025 1.00 0.00 H new ATOM 501 N THR A 33 13.759 0.144 -7.028 1.00 0.00 N ATOM 502 CA THR A 33 15.217 -0.020 -6.881 1.00 0.00 C ATOM 503 C THR A 33 15.767 -0.987 -7.936 1.00 0.00 C ATOM 504 O THR A 33 15.127 -1.990 -8.249 1.00 0.00 O ATOM 505 CB THR A 33 15.538 -0.557 -5.473 1.00 0.00 C ATOM 506 OG1 THR A 33 14.969 0.281 -4.489 1.00 0.00 O ATOM 507 CG2 THR A 33 17.029 -0.670 -5.157 1.00 0.00 C ATOM 0 H THR A 33 13.295 -0.720 -7.308 1.00 0.00 H new ATOM 0 HA THR A 33 15.689 0.952 -7.022 1.00 0.00 H new ATOM 0 HB THR A 33 15.116 -1.562 -5.461 1.00 0.00 H new ATOM 0 HG1 THR A 33 15.519 0.254 -3.679 1.00 0.00 H new ATOM 0 HG21 THR A 33 17.158 -1.056 -4.146 1.00 0.00 H new ATOM 0 HG22 THR A 33 17.501 -1.348 -5.868 1.00 0.00 H new ATOM 0 HG23 THR A 33 17.492 0.314 -5.232 1.00 0.00 H new ATOM 515 N SER A 34 16.965 -0.724 -8.455 1.00 0.00 N ATOM 516 CA SER A 34 17.723 -1.640 -9.322 1.00 0.00 C ATOM 517 C SER A 34 18.913 -2.260 -8.586 1.00 0.00 C ATOM 518 O SER A 34 19.519 -1.630 -7.716 1.00 0.00 O ATOM 519 CB SER A 34 18.205 -0.933 -10.590 1.00 0.00 C ATOM 520 OG SER A 34 18.835 0.304 -10.317 1.00 0.00 O ATOM 0 H SER A 34 17.453 0.155 -8.283 1.00 0.00 H new ATOM 0 HA SER A 34 17.042 -2.442 -9.607 1.00 0.00 H new ATOM 0 HB2 SER A 34 18.902 -1.582 -11.121 1.00 0.00 H new ATOM 0 HB3 SER A 34 17.356 -0.766 -11.253 1.00 0.00 H new ATOM 0 HG SER A 34 18.176 1.027 -10.374 1.00 0.00 H new ATOM 526 N CYS A 35 19.224 -3.517 -8.906 1.00 0.00 N ATOM 527 CA CYS A 35 20.273 -4.300 -8.260 1.00 0.00 C ATOM 528 C CYS A 35 20.769 -5.423 -9.193 1.00 0.00 C ATOM 529 O CYS A 35 20.033 -5.902 -10.063 1.00 0.00 O ATOM 530 CB CYS A 35 19.676 -4.834 -6.943 1.00 0.00 C ATOM 531 SG CYS A 35 20.785 -5.983 -6.087 1.00 0.00 S ATOM 0 H CYS A 35 18.739 -4.030 -9.642 1.00 0.00 H new ATOM 0 HA CYS A 35 21.154 -3.695 -8.043 1.00 0.00 H new ATOM 0 HB2 CYS A 35 19.450 -3.995 -6.285 1.00 0.00 H new ATOM 0 HB3 CYS A 35 18.732 -5.336 -7.154 1.00 0.00 H new ATOM 0 HG CYS A 35 21.996 -5.510 -6.102 1.00 0.00 H new ATOM 537 N GLY A 36 22.011 -5.870 -9.002 1.00 0.00 N ATOM 538 CA GLY A 36 22.581 -7.059 -9.634 1.00 0.00 C ATOM 539 C GLY A 36 23.059 -8.056 -8.576 1.00 0.00 C ATOM 540 O GLY A 36 23.485 -7.650 -7.494 1.00 0.00 O ATOM 0 H GLY A 36 22.669 -5.398 -8.382 1.00 0.00 H new ATOM 0 HA2 GLY A 36 21.835 -7.530 -10.274 1.00 0.00 H new ATOM 0 HA3 GLY A 36 23.415 -6.772 -10.274 1.00 0.00 H new ATOM 544 N LEU A 37 23.037 -9.364 -8.871 1.00 0.00 N ATOM 545 CA LEU A 37 23.428 -10.408 -7.901 1.00 0.00 C ATOM 546 C LEU A 37 24.823 -10.152 -7.291 1.00 0.00 C ATOM 547 O LEU A 37 25.011 -10.323 -6.087 1.00 0.00 O ATOM 548 CB LEU A 37 23.373 -11.803 -8.559 1.00 0.00 C ATOM 549 CG LEU A 37 21.998 -12.276 -9.069 1.00 0.00 C ATOM 550 CD1 LEU A 37 22.144 -13.684 -9.644 1.00 0.00 C ATOM 551 CD2 LEU A 37 20.929 -12.298 -7.977 1.00 0.00 C ATOM 0 H LEU A 37 22.751 -9.730 -9.779 1.00 0.00 H new ATOM 0 HA LEU A 37 22.710 -10.370 -7.082 1.00 0.00 H new ATOM 0 HB2 LEU A 37 24.068 -11.810 -9.399 1.00 0.00 H new ATOM 0 HB3 LEU A 37 23.738 -12.534 -7.837 1.00 0.00 H new ATOM 0 HG LEU A 37 21.671 -11.564 -9.827 1.00 0.00 H new ATOM 0 HD11 LEU A 37 21.177 -14.030 -10.009 1.00 0.00 H new ATOM 0 HD12 LEU A 37 22.858 -13.668 -10.468 1.00 0.00 H new ATOM 0 HD13 LEU A 37 22.502 -14.359 -8.867 1.00 0.00 H new ATOM 0 HD21 LEU A 37 19.984 -12.640 -8.400 1.00 0.00 H new ATOM 0 HD22 LEU A 37 21.236 -12.976 -7.180 1.00 0.00 H new ATOM 0 HD23 LEU A 37 20.803 -11.294 -7.571 1.00 0.00 H new ATOM 563 N GLU A 38 25.766 -9.648 -8.097 1.00 0.00 N ATOM 564 CA GLU A 38 27.089 -9.160 -7.663 1.00 0.00 C ATOM 565 C GLU A 38 27.343 -7.715 -8.153 1.00 0.00 C ATOM 566 O GLU A 38 28.453 -7.374 -8.566 1.00 0.00 O ATOM 567 CB GLU A 38 28.196 -10.147 -8.089 1.00 0.00 C ATOM 568 CG GLU A 38 27.948 -11.589 -7.635 1.00 0.00 C ATOM 569 CD GLU A 38 29.181 -12.468 -7.915 1.00 0.00 C ATOM 570 OE1 GLU A 38 30.071 -12.571 -7.037 1.00 0.00 O ATOM 571 OE2 GLU A 38 29.269 -13.076 -9.010 1.00 0.00 O ATOM 0 H GLU A 38 25.628 -9.564 -9.104 1.00 0.00 H new ATOM 0 HA GLU A 38 27.108 -9.116 -6.574 1.00 0.00 H new ATOM 0 HB2 GLU A 38 28.288 -10.129 -9.175 1.00 0.00 H new ATOM 0 HB3 GLU A 38 29.149 -9.807 -7.683 1.00 0.00 H new ATOM 0 HG2 GLU A 38 27.718 -11.606 -6.570 1.00 0.00 H new ATOM 0 HG3 GLU A 38 27.080 -11.995 -8.155 1.00 0.00 H new ATOM 578 N SER A 39 26.306 -6.863 -8.115 1.00 0.00 N ATOM 579 CA SER A 39 26.246 -5.517 -8.725 1.00 0.00 C ATOM 580 C SER A 39 26.218 -5.523 -10.265 1.00 0.00 C ATOM 581 O SER A 39 26.376 -6.558 -10.910 1.00 0.00 O ATOM 582 CB SER A 39 27.351 -4.604 -8.175 1.00 0.00 C ATOM 583 OG SER A 39 26.977 -3.245 -8.351 1.00 0.00 O ATOM 0 H SER A 39 25.439 -7.103 -7.634 1.00 0.00 H new ATOM 0 HA SER A 39 25.283 -5.103 -8.428 1.00 0.00 H new ATOM 0 HB2 SER A 39 27.516 -4.812 -7.118 1.00 0.00 H new ATOM 0 HB3 SER A 39 28.291 -4.803 -8.690 1.00 0.00 H new ATOM 0 HG SER A 39 27.682 -2.663 -7.998 1.00 0.00 H new ATOM 589 N SER A 40 25.970 -4.351 -10.851 1.00 0.00 N ATOM 590 CA SER A 40 25.906 -4.050 -12.293 1.00 0.00 C ATOM 591 C SER A 40 26.114 -2.538 -12.526 1.00 0.00 C ATOM 592 O SER A 40 26.097 -1.759 -11.567 1.00 0.00 O ATOM 593 CB SER A 40 24.561 -4.516 -12.868 1.00 0.00 C ATOM 594 OG SER A 40 23.483 -3.924 -12.161 1.00 0.00 O ATOM 0 H SER A 40 25.794 -3.517 -10.290 1.00 0.00 H new ATOM 0 HA SER A 40 26.702 -4.588 -12.809 1.00 0.00 H new ATOM 0 HB2 SER A 40 24.500 -4.251 -13.924 1.00 0.00 H new ATOM 0 HB3 SER A 40 24.490 -5.602 -12.807 1.00 0.00 H new ATOM 0 HG SER A 40 22.634 -4.231 -12.542 1.00 0.00 H new ATOM 600 N ARG A 41 26.337 -2.095 -13.778 1.00 0.00 N ATOM 601 CA ARG A 41 26.692 -0.692 -14.110 1.00 0.00 C ATOM 602 C ARG A 41 25.653 0.017 -14.999 1.00 0.00 C ATOM 603 O ARG A 41 24.908 -0.628 -15.733 1.00 0.00 O ATOM 604 CB ARG A 41 28.166 -0.625 -14.595 1.00 0.00 C ATOM 605 CG ARG A 41 28.450 -0.390 -16.091 1.00 0.00 C ATOM 606 CD ARG A 41 28.008 -1.493 -17.061 1.00 0.00 C ATOM 607 NE ARG A 41 28.122 -1.020 -18.458 1.00 0.00 N ATOM 608 CZ ARG A 41 27.933 -1.718 -19.566 1.00 0.00 C ATOM 609 NH1 ARG A 41 27.687 -2.994 -19.560 1.00 0.00 N ATOM 610 NH2 ARG A 41 27.975 -1.147 -20.727 1.00 0.00 N ATOM 0 H ARG A 41 26.277 -2.701 -14.597 1.00 0.00 H new ATOM 0 HA ARG A 41 26.644 -0.090 -13.202 1.00 0.00 H new ATOM 0 HB2 ARG A 41 28.660 0.171 -14.037 1.00 0.00 H new ATOM 0 HB3 ARG A 41 28.649 -1.560 -14.311 1.00 0.00 H new ATOM 0 HG2 ARG A 41 27.962 0.539 -16.388 1.00 0.00 H new ATOM 0 HG3 ARG A 41 29.523 -0.240 -16.214 1.00 0.00 H new ATOM 0 HD2 ARG A 41 28.624 -2.381 -16.919 1.00 0.00 H new ATOM 0 HD3 ARG A 41 26.978 -1.782 -16.850 1.00 0.00 H new ATOM 0 HE ARG A 41 28.376 -0.040 -18.582 1.00 0.00 H new ATOM 0 HH11 ARG A 41 27.633 -3.499 -18.675 1.00 0.00 H new ATOM 0 HH12 ARG A 41 27.548 -3.491 -20.440 1.00 0.00 H new ATOM 0 HH21 ARG A 41 28.156 -0.146 -20.797 1.00 0.00 H new ATOM 0 HH22 ARG A 41 27.827 -1.699 -21.572 1.00 0.00 H new ATOM 624 N VAL A 42 25.626 1.352 -14.940 1.00 0.00 N ATOM 625 CA VAL A 42 24.815 2.226 -15.826 1.00 0.00 C ATOM 626 C VAL A 42 25.609 2.543 -17.101 1.00 0.00 C ATOM 627 O VAL A 42 26.832 2.662 -17.062 1.00 0.00 O ATOM 628 CB VAL A 42 24.367 3.532 -15.129 1.00 0.00 C ATOM 629 CG1 VAL A 42 23.220 4.225 -15.875 1.00 0.00 C ATOM 630 CG2 VAL A 42 23.884 3.305 -13.691 1.00 0.00 C ATOM 0 H VAL A 42 26.177 1.878 -14.262 1.00 0.00 H new ATOM 0 HA VAL A 42 23.905 1.682 -16.081 1.00 0.00 H new ATOM 0 HB VAL A 42 25.260 4.157 -15.130 1.00 0.00 H new ATOM 0 HG11 VAL A 42 22.941 5.137 -15.347 1.00 0.00 H new ATOM 0 HG12 VAL A 42 23.542 4.475 -16.886 1.00 0.00 H new ATOM 0 HG13 VAL A 42 22.361 3.556 -15.923 1.00 0.00 H new ATOM 0 HG21 VAL A 42 23.583 4.257 -13.254 1.00 0.00 H new ATOM 0 HG22 VAL A 42 23.034 2.623 -13.696 1.00 0.00 H new ATOM 0 HG23 VAL A 42 24.692 2.873 -13.100 1.00 0.00 H new ATOM 640 N HIS A 43 24.921 2.688 -18.235 1.00 0.00 N ATOM 641 CA HIS A 43 25.546 2.776 -19.566 1.00 0.00 C ATOM 642 C HIS A 43 25.107 4.027 -20.353 1.00 0.00 C ATOM 643 O HIS A 43 23.902 4.192 -20.543 1.00 0.00 O ATOM 644 CB HIS A 43 25.211 1.487 -20.334 1.00 0.00 C ATOM 645 CG HIS A 43 25.941 1.425 -21.646 1.00 0.00 C ATOM 646 ND1 HIS A 43 27.325 1.541 -21.774 1.00 0.00 N ATOM 647 CD2 HIS A 43 25.370 1.380 -22.885 1.00 0.00 C ATOM 648 CE1 HIS A 43 27.569 1.555 -23.093 1.00 0.00 C ATOM 649 NE2 HIS A 43 26.418 1.460 -23.779 1.00 0.00 N ATOM 0 H HIS A 43 23.903 2.749 -18.261 1.00 0.00 H new ATOM 0 HA HIS A 43 26.624 2.877 -19.442 1.00 0.00 H new ATOM 0 HB2 HIS A 43 25.476 0.621 -19.727 1.00 0.00 H new ATOM 0 HB3 HIS A 43 24.137 1.436 -20.511 1.00 0.00 H new ATOM 0 HD1 HIS A 43 28.010 1.602 -21.021 1.00 0.00 H new ATOM 0 HD2 HIS A 43 24.318 1.299 -23.117 1.00 0.00 H new ATOM 0 HE1 HIS A 43 28.550 1.632 -23.539 1.00 0.00 H new ATOM 657 N PRO A 44 26.021 4.875 -20.874 1.00 0.00 N ATOM 658 CA PRO A 44 25.668 6.124 -21.569 1.00 0.00 C ATOM 659 C PRO A 44 24.702 5.961 -22.748 1.00 0.00 C ATOM 660 O PRO A 44 23.761 6.743 -22.881 1.00 0.00 O ATOM 661 CB PRO A 44 27.000 6.737 -22.015 1.00 0.00 C ATOM 662 CG PRO A 44 27.964 6.255 -20.938 1.00 0.00 C ATOM 663 CD PRO A 44 27.467 4.841 -20.662 1.00 0.00 C ATOM 0 HA PRO A 44 25.113 6.768 -20.887 1.00 0.00 H new ATOM 0 HB2 PRO A 44 27.294 6.391 -23.006 1.00 0.00 H new ATOM 0 HB3 PRO A 44 26.951 7.825 -22.058 1.00 0.00 H new ATOM 0 HG2 PRO A 44 28.997 6.262 -21.285 1.00 0.00 H new ATOM 0 HG3 PRO A 44 27.923 6.881 -20.047 1.00 0.00 H new ATOM 0 HD2 PRO A 44 27.943 4.123 -21.330 1.00 0.00 H new ATOM 0 HD3 PRO A 44 27.705 4.535 -19.643 1.00 0.00 H new ATOM 671 N THR A 45 24.836 4.899 -23.553 1.00 0.00 N ATOM 672 CA THR A 45 23.900 4.626 -24.666 1.00 0.00 C ATOM 673 C THR A 45 22.489 4.336 -24.154 1.00 0.00 C ATOM 674 O THR A 45 21.518 4.779 -24.755 1.00 0.00 O ATOM 675 CB THR A 45 24.391 3.465 -25.551 1.00 0.00 C ATOM 676 OG1 THR A 45 25.771 3.590 -25.830 1.00 0.00 O ATOM 677 CG2 THR A 45 23.656 3.356 -26.883 1.00 0.00 C ATOM 0 H THR A 45 25.583 4.210 -23.459 1.00 0.00 H new ATOM 0 HA THR A 45 23.866 5.529 -25.276 1.00 0.00 H new ATOM 0 HB THR A 45 24.186 2.565 -24.972 1.00 0.00 H new ATOM 0 HG1 THR A 45 26.277 2.969 -25.265 1.00 0.00 H new ATOM 0 HG21 THR A 45 24.056 2.516 -27.452 1.00 0.00 H new ATOM 0 HG22 THR A 45 22.593 3.197 -26.700 1.00 0.00 H new ATOM 0 HG23 THR A 45 23.793 4.276 -27.451 1.00 0.00 H new ATOM 685 N ALA A 46 22.348 3.693 -22.989 1.00 0.00 N ATOM 686 CA ALA A 46 21.049 3.479 -22.343 1.00 0.00 C ATOM 687 C ALA A 46 20.497 4.744 -21.656 1.00 0.00 C ATOM 688 O ALA A 46 19.343 4.759 -21.247 1.00 0.00 O ATOM 689 CB ALA A 46 21.137 2.256 -21.419 1.00 0.00 C ATOM 0 H ALA A 46 23.134 3.306 -22.467 1.00 0.00 H new ATOM 0 HA ALA A 46 20.307 3.264 -23.112 1.00 0.00 H new ATOM 0 HB1 ALA A 46 20.173 2.094 -20.937 1.00 0.00 H new ATOM 0 HB2 ALA A 46 21.402 1.376 -22.005 1.00 0.00 H new ATOM 0 HB3 ALA A 46 21.898 2.429 -20.658 1.00 0.00 H new ATOM 695 N ILE A 47 21.285 5.814 -21.520 1.00 0.00 N ATOM 696 CA ILE A 47 20.753 7.124 -21.116 1.00 0.00 C ATOM 697 C ILE A 47 20.144 7.742 -22.392 1.00 0.00 C ATOM 698 O ILE A 47 18.940 7.981 -22.479 1.00 0.00 O ATOM 699 CB ILE A 47 21.828 8.026 -20.456 1.00 0.00 C ATOM 700 CG1 ILE A 47 22.531 7.296 -19.288 1.00 0.00 C ATOM 701 CG2 ILE A 47 21.158 9.315 -19.953 1.00 0.00 C ATOM 702 CD1 ILE A 47 23.659 8.091 -18.616 1.00 0.00 C ATOM 0 H ILE A 47 22.292 5.802 -21.683 1.00 0.00 H new ATOM 0 HA ILE A 47 19.995 7.019 -20.340 1.00 0.00 H new ATOM 0 HB ILE A 47 22.589 8.269 -21.197 1.00 0.00 H new ATOM 0 HG12 ILE A 47 21.785 7.044 -18.534 1.00 0.00 H new ATOM 0 HG13 ILE A 47 22.940 6.356 -19.659 1.00 0.00 H new ATOM 0 HG21 ILE A 47 21.906 9.956 -19.487 1.00 0.00 H new ATOM 0 HG22 ILE A 47 20.703 9.840 -20.793 1.00 0.00 H new ATOM 0 HG23 ILE A 47 20.389 9.064 -19.222 1.00 0.00 H new ATOM 0 HD11 ILE A 47 24.091 7.498 -17.810 1.00 0.00 H new ATOM 0 HD12 ILE A 47 24.430 8.321 -19.351 1.00 0.00 H new ATOM 0 HD13 ILE A 47 23.258 9.019 -18.209 1.00 0.00 H new ATOM 714 N ALA A 48 20.949 7.881 -23.451 1.00 0.00 N ATOM 715 CA ALA A 48 20.577 8.642 -24.651 1.00 0.00 C ATOM 716 C ALA A 48 19.489 7.973 -25.520 1.00 0.00 C ATOM 717 O ALA A 48 18.612 8.662 -26.039 1.00 0.00 O ATOM 718 CB ALA A 48 21.854 8.909 -25.457 1.00 0.00 C ATOM 0 H ALA A 48 21.880 7.468 -23.501 1.00 0.00 H new ATOM 0 HA ALA A 48 20.118 9.576 -24.325 1.00 0.00 H new ATOM 0 HB1 ALA A 48 21.606 9.474 -26.356 1.00 0.00 H new ATOM 0 HB2 ALA A 48 22.554 9.482 -24.850 1.00 0.00 H new ATOM 0 HB3 ALA A 48 22.311 7.961 -25.739 1.00 0.00 H new ATOM 724 N MET A 49 19.484 6.635 -25.625 1.00 0.00 N ATOM 725 CA MET A 49 18.443 5.870 -26.345 1.00 0.00 C ATOM 726 C MET A 49 17.075 5.883 -25.645 1.00 0.00 C ATOM 727 O MET A 49 16.092 5.399 -26.205 1.00 0.00 O ATOM 728 CB MET A 49 18.900 4.412 -26.548 1.00 0.00 C ATOM 729 CG MET A 49 20.088 4.248 -27.507 1.00 0.00 C ATOM 730 SD MET A 49 19.729 4.641 -29.243 1.00 0.00 S ATOM 731 CE MET A 49 20.454 6.302 -29.356 1.00 0.00 C ATOM 0 H MET A 49 20.206 6.045 -25.211 1.00 0.00 H new ATOM 0 HA MET A 49 18.312 6.368 -27.306 1.00 0.00 H new ATOM 0 HB2 MET A 49 19.169 3.990 -25.580 1.00 0.00 H new ATOM 0 HB3 MET A 49 18.060 3.830 -26.927 1.00 0.00 H new ATOM 0 HG2 MET A 49 20.902 4.887 -27.166 1.00 0.00 H new ATOM 0 HG3 MET A 49 20.444 3.219 -27.449 1.00 0.00 H new ATOM 0 HE1 MET A 49 20.002 6.840 -30.189 1.00 0.00 H new ATOM 0 HE2 MET A 49 20.267 6.844 -28.429 1.00 0.00 H new ATOM 0 HE3 MET A 49 21.529 6.220 -29.518 1.00 0.00 H new ATOM 741 N MET A 50 17.000 6.414 -24.419 1.00 0.00 N ATOM 742 CA MET A 50 15.829 6.312 -23.540 1.00 0.00 C ATOM 743 C MET A 50 15.325 7.687 -23.081 1.00 0.00 C ATOM 744 O MET A 50 14.128 7.865 -22.884 1.00 0.00 O ATOM 745 CB MET A 50 16.177 5.392 -22.361 1.00 0.00 C ATOM 746 CG MET A 50 16.946 4.130 -22.770 1.00 0.00 C ATOM 747 SD MET A 50 16.092 2.977 -23.862 1.00 0.00 S ATOM 748 CE MET A 50 17.372 1.693 -23.984 1.00 0.00 C ATOM 0 H MET A 50 17.769 6.938 -24.001 1.00 0.00 H new ATOM 0 HA MET A 50 15.000 5.876 -24.097 1.00 0.00 H new ATOM 0 HB2 MET A 50 16.772 5.951 -21.639 1.00 0.00 H new ATOM 0 HB3 MET A 50 15.256 5.098 -21.857 1.00 0.00 H new ATOM 0 HG2 MET A 50 17.871 4.439 -23.258 1.00 0.00 H new ATOM 0 HG3 MET A 50 17.227 3.594 -21.863 1.00 0.00 H new ATOM 0 HE1 MET A 50 17.183 1.073 -24.860 1.00 0.00 H new ATOM 0 HE2 MET A 50 18.351 2.163 -24.077 1.00 0.00 H new ATOM 0 HE3 MET A 50 17.351 1.072 -23.088 1.00 0.00 H new ATOM 758 N GLU A 51 16.188 8.706 -23.023 1.00 0.00 N ATOM 759 CA GLU A 51 15.766 10.103 -22.817 1.00 0.00 C ATOM 760 C GLU A 51 14.866 10.601 -23.966 1.00 0.00 C ATOM 761 O GLU A 51 13.984 11.429 -23.747 1.00 0.00 O ATOM 762 CB GLU A 51 16.988 11.030 -22.713 1.00 0.00 C ATOM 763 CG GLU A 51 17.649 10.959 -21.338 1.00 0.00 C ATOM 764 CD GLU A 51 18.774 12.012 -21.213 1.00 0.00 C ATOM 765 OE1 GLU A 51 19.714 12.020 -22.047 1.00 0.00 O ATOM 766 OE2 GLU A 51 18.716 12.857 -20.285 1.00 0.00 O ATOM 0 H GLU A 51 17.197 8.591 -23.117 1.00 0.00 H new ATOM 0 HA GLU A 51 15.199 10.128 -21.886 1.00 0.00 H new ATOM 0 HB2 GLU A 51 17.715 10.758 -23.478 1.00 0.00 H new ATOM 0 HB3 GLU A 51 16.682 12.056 -22.915 1.00 0.00 H new ATOM 0 HG2 GLU A 51 16.902 11.125 -20.562 1.00 0.00 H new ATOM 0 HG3 GLU A 51 18.059 9.962 -21.178 1.00 0.00 H new ATOM 773 N GLU A 52 15.007 10.031 -25.171 1.00 0.00 N ATOM 774 CA GLU A 52 14.107 10.284 -26.315 1.00 0.00 C ATOM 775 C GLU A 52 12.695 9.673 -26.133 1.00 0.00 C ATOM 776 O GLU A 52 11.773 9.980 -26.889 1.00 0.00 O ATOM 777 CB GLU A 52 14.781 9.840 -27.631 1.00 0.00 C ATOM 778 CG GLU A 52 15.147 8.351 -27.679 1.00 0.00 C ATOM 779 CD GLU A 52 15.707 7.921 -29.051 1.00 0.00 C ATOM 780 OE1 GLU A 52 16.709 8.492 -29.540 1.00 0.00 O ATOM 781 OE2 GLU A 52 15.171 6.956 -29.646 1.00 0.00 O ATOM 0 H GLU A 52 15.756 9.373 -25.385 1.00 0.00 H new ATOM 0 HA GLU A 52 13.938 11.360 -26.365 1.00 0.00 H new ATOM 0 HB2 GLU A 52 14.113 10.065 -28.462 1.00 0.00 H new ATOM 0 HB3 GLU A 52 15.685 10.430 -27.780 1.00 0.00 H new ATOM 0 HG2 GLU A 52 15.885 8.137 -26.906 1.00 0.00 H new ATOM 0 HG3 GLU A 52 14.263 7.756 -27.449 1.00 0.00 H new ATOM 788 N VAL A 53 12.518 8.851 -25.088 1.00 0.00 N ATOM 789 CA VAL A 53 11.242 8.294 -24.587 1.00 0.00 C ATOM 790 C VAL A 53 10.834 8.969 -23.253 1.00 0.00 C ATOM 791 O VAL A 53 9.798 8.654 -22.669 1.00 0.00 O ATOM 792 CB VAL A 53 11.365 6.749 -24.490 1.00 0.00 C ATOM 793 CG1 VAL A 53 10.071 6.016 -24.119 1.00 0.00 C ATOM 794 CG2 VAL A 53 11.858 6.147 -25.811 1.00 0.00 C ATOM 0 H VAL A 53 13.311 8.534 -24.530 1.00 0.00 H new ATOM 0 HA VAL A 53 10.433 8.512 -25.284 1.00 0.00 H new ATOM 0 HB VAL A 53 12.080 6.602 -23.680 1.00 0.00 H new ATOM 0 HG11 VAL A 53 10.260 4.943 -24.077 1.00 0.00 H new ATOM 0 HG12 VAL A 53 9.723 6.362 -23.146 1.00 0.00 H new ATOM 0 HG13 VAL A 53 9.309 6.221 -24.871 1.00 0.00 H new ATOM 0 HG21 VAL A 53 11.934 5.064 -25.711 1.00 0.00 H new ATOM 0 HG22 VAL A 53 11.154 6.390 -26.607 1.00 0.00 H new ATOM 0 HG23 VAL A 53 12.837 6.558 -26.055 1.00 0.00 H new ATOM 804 N GLY A 54 11.628 9.933 -22.766 1.00 0.00 N ATOM 805 CA GLY A 54 11.438 10.637 -21.491 1.00 0.00 C ATOM 806 C GLY A 54 11.960 9.885 -20.253 1.00 0.00 C ATOM 807 O GLY A 54 11.632 10.273 -19.130 1.00 0.00 O ATOM 0 H GLY A 54 12.453 10.256 -23.270 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.938 11.604 -21.548 1.00 0.00 H new ATOM 0 HA3 GLY A 54 10.375 10.835 -21.357 1.00 0.00 H new ATOM 811 N ILE A 55 12.740 8.813 -20.439 1.00 0.00 N ATOM 812 CA ILE A 55 13.221 7.924 -19.365 1.00 0.00 C ATOM 813 C ILE A 55 14.578 8.390 -18.822 1.00 0.00 C ATOM 814 O ILE A 55 15.404 8.933 -19.553 1.00 0.00 O ATOM 815 CB ILE A 55 13.311 6.452 -19.842 1.00 0.00 C ATOM 816 CG1 ILE A 55 12.129 6.007 -20.722 1.00 0.00 C ATOM 817 CG2 ILE A 55 13.448 5.472 -18.665 1.00 0.00 C ATOM 818 CD1 ILE A 55 10.742 6.101 -20.073 1.00 0.00 C ATOM 0 H ILE A 55 13.065 8.529 -21.363 1.00 0.00 H new ATOM 0 HA ILE A 55 12.491 7.975 -18.557 1.00 0.00 H new ATOM 0 HB ILE A 55 14.212 6.424 -20.455 1.00 0.00 H new ATOM 0 HG12 ILE A 55 12.127 6.612 -21.628 1.00 0.00 H new ATOM 0 HG13 ILE A 55 12.297 4.975 -21.028 1.00 0.00 H new ATOM 0 HG21 ILE A 55 13.508 4.452 -19.046 1.00 0.00 H new ATOM 0 HG22 ILE A 55 14.353 5.703 -18.103 1.00 0.00 H new ATOM 0 HG23 ILE A 55 12.581 5.565 -18.011 1.00 0.00 H new ATOM 0 HD11 ILE A 55 9.985 5.763 -20.781 1.00 0.00 H new ATOM 0 HD12 ILE A 55 10.713 5.472 -19.183 1.00 0.00 H new ATOM 0 HD13 ILE A 55 10.541 7.135 -19.793 1.00 0.00 H new ATOM 830 N ASP A 56 14.827 8.106 -17.546 1.00 0.00 N ATOM 831 CA ASP A 56 16.109 8.327 -16.864 1.00 0.00 C ATOM 832 C ASP A 56 16.632 7.056 -16.165 1.00 0.00 C ATOM 833 O ASP A 56 15.871 6.301 -15.564 1.00 0.00 O ATOM 834 CB ASP A 56 15.968 9.486 -15.861 1.00 0.00 C ATOM 835 CG ASP A 56 17.192 9.587 -14.939 1.00 0.00 C ATOM 836 OD1 ASP A 56 18.325 9.726 -15.462 1.00 0.00 O ATOM 837 OD2 ASP A 56 17.026 9.426 -13.707 1.00 0.00 O ATOM 0 H ASP A 56 14.120 7.701 -16.933 1.00 0.00 H new ATOM 0 HA ASP A 56 16.848 8.589 -17.621 1.00 0.00 H new ATOM 0 HB2 ASP A 56 15.841 10.423 -16.403 1.00 0.00 H new ATOM 0 HB3 ASP A 56 15.070 9.341 -15.260 1.00 0.00 H new ATOM 842 N ILE A 57 17.956 6.864 -16.214 1.00 0.00 N ATOM 843 CA ILE A 57 18.725 5.864 -15.449 1.00 0.00 C ATOM 844 C ILE A 57 20.036 6.456 -14.888 1.00 0.00 C ATOM 845 O ILE A 57 20.777 5.769 -14.194 1.00 0.00 O ATOM 846 CB ILE A 57 19.027 4.606 -16.305 1.00 0.00 C ATOM 847 CG1 ILE A 57 19.905 4.917 -17.535 1.00 0.00 C ATOM 848 CG2 ILE A 57 17.732 3.893 -16.722 1.00 0.00 C ATOM 849 CD1 ILE A 57 20.376 3.661 -18.277 1.00 0.00 C ATOM 0 H ILE A 57 18.554 7.428 -16.818 1.00 0.00 H new ATOM 0 HA ILE A 57 18.102 5.566 -14.606 1.00 0.00 H new ATOM 0 HB ILE A 57 19.603 3.933 -15.670 1.00 0.00 H new ATOM 0 HG12 ILE A 57 19.343 5.548 -18.224 1.00 0.00 H new ATOM 0 HG13 ILE A 57 20.776 5.490 -17.216 1.00 0.00 H new ATOM 0 HG21 ILE A 57 17.976 3.016 -17.321 1.00 0.00 H new ATOM 0 HG22 ILE A 57 17.184 3.584 -15.832 1.00 0.00 H new ATOM 0 HG23 ILE A 57 17.115 4.573 -17.310 1.00 0.00 H new ATOM 0 HD11 ILE A 57 20.988 3.951 -19.131 1.00 0.00 H new ATOM 0 HD12 ILE A 57 20.965 3.039 -17.603 1.00 0.00 H new ATOM 0 HD13 ILE A 57 19.510 3.098 -18.626 1.00 0.00 H new ATOM 861 N SER A 58 20.338 7.730 -15.175 1.00 0.00 N ATOM 862 CA SER A 58 21.643 8.361 -14.920 1.00 0.00 C ATOM 863 C SER A 58 22.046 8.446 -13.438 1.00 0.00 C ATOM 864 O SER A 58 23.226 8.306 -13.112 1.00 0.00 O ATOM 865 CB SER A 58 21.663 9.763 -15.548 1.00 0.00 C ATOM 866 OG SER A 58 20.724 10.635 -14.941 1.00 0.00 O ATOM 0 H SER A 58 19.665 8.367 -15.602 1.00 0.00 H new ATOM 0 HA SER A 58 22.384 7.708 -15.382 1.00 0.00 H new ATOM 0 HB2 SER A 58 22.663 10.187 -15.455 1.00 0.00 H new ATOM 0 HB3 SER A 58 21.448 9.685 -16.614 1.00 0.00 H new ATOM 0 HG SER A 58 19.842 10.499 -15.346 1.00 0.00 H new ATOM 872 N GLY A 59 21.077 8.633 -12.531 1.00 0.00 N ATOM 873 CA GLY A 59 21.298 8.736 -11.082 1.00 0.00 C ATOM 874 C GLY A 59 21.347 7.399 -10.327 1.00 0.00 C ATOM 875 O GLY A 59 21.431 7.397 -9.096 1.00 0.00 O ATOM 0 H GLY A 59 20.094 8.719 -12.791 1.00 0.00 H new ATOM 0 HA2 GLY A 59 22.236 9.265 -10.911 1.00 0.00 H new ATOM 0 HA3 GLY A 59 20.504 9.347 -10.653 1.00 0.00 H new ATOM 879 N GLN A 60 21.247 6.262 -11.024 1.00 0.00 N ATOM 880 CA GLN A 60 21.101 4.936 -10.406 1.00 0.00 C ATOM 881 C GLN A 60 22.365 4.378 -9.721 1.00 0.00 C ATOM 882 O GLN A 60 23.505 4.734 -10.031 1.00 0.00 O ATOM 883 CB GLN A 60 20.642 3.925 -11.459 1.00 0.00 C ATOM 884 CG GLN A 60 19.181 4.107 -11.875 1.00 0.00 C ATOM 885 CD GLN A 60 18.785 3.102 -12.953 1.00 0.00 C ATOM 886 OE1 GLN A 60 19.607 2.433 -13.562 1.00 0.00 O ATOM 887 NE2 GLN A 60 17.517 2.964 -13.241 1.00 0.00 N ATOM 0 H GLN A 60 21.265 6.234 -12.043 1.00 0.00 H new ATOM 0 HA GLN A 60 20.364 5.080 -9.615 1.00 0.00 H new ATOM 0 HB2 GLN A 60 21.277 4.014 -12.340 1.00 0.00 H new ATOM 0 HB3 GLN A 60 20.779 2.917 -11.069 1.00 0.00 H new ATOM 0 HG2 GLN A 60 18.535 3.985 -11.006 1.00 0.00 H new ATOM 0 HG3 GLN A 60 19.029 5.121 -12.246 1.00 0.00 H new ATOM 0 HE21 GLN A 60 16.818 3.515 -12.742 1.00 0.00 H new ATOM 0 HE22 GLN A 60 17.227 2.306 -13.964 1.00 0.00 H new ATOM 896 N THR A 61 22.113 3.420 -8.829 1.00 0.00 N ATOM 897 CA THR A 61 23.074 2.525 -8.161 1.00 0.00 C ATOM 898 C THR A 61 22.753 1.065 -8.551 1.00 0.00 C ATOM 899 O THR A 61 21.877 0.823 -9.389 1.00 0.00 O ATOM 900 CB THR A 61 23.018 2.724 -6.631 1.00 0.00 C ATOM 901 OG1 THR A 61 21.699 2.530 -6.161 1.00 0.00 O ATOM 902 CG2 THR A 61 23.462 4.130 -6.220 1.00 0.00 C ATOM 0 H THR A 61 21.157 3.230 -8.527 1.00 0.00 H new ATOM 0 HA THR A 61 24.088 2.761 -8.484 1.00 0.00 H new ATOM 0 HB THR A 61 23.698 1.993 -6.194 1.00 0.00 H new ATOM 0 HG1 THR A 61 21.676 2.657 -5.190 1.00 0.00 H new ATOM 0 HG21 THR A 61 23.407 4.226 -5.136 1.00 0.00 H new ATOM 0 HG22 THR A 61 24.488 4.298 -6.548 1.00 0.00 H new ATOM 0 HG23 THR A 61 22.808 4.868 -6.683 1.00 0.00 H new ATOM 910 N SER A 62 23.462 0.079 -7.991 1.00 0.00 N ATOM 911 CA SER A 62 23.096 -1.340 -8.139 1.00 0.00 C ATOM 912 C SER A 62 23.439 -2.136 -6.875 1.00 0.00 C ATOM 913 O SER A 62 22.541 -2.429 -6.085 1.00 0.00 O ATOM 914 CB SER A 62 23.728 -1.934 -9.395 1.00 0.00 C ATOM 915 OG SER A 62 23.343 -3.285 -9.519 1.00 0.00 O ATOM 0 H SER A 62 24.298 0.236 -7.427 1.00 0.00 H new ATOM 0 HA SER A 62 22.015 -1.407 -8.264 1.00 0.00 H new ATOM 0 HB2 SER A 62 23.413 -1.372 -10.274 1.00 0.00 H new ATOM 0 HB3 SER A 62 24.814 -1.857 -9.340 1.00 0.00 H new ATOM 0 HG SER A 62 23.272 -3.519 -10.468 1.00 0.00 H new ATOM 921 N ASP A 63 24.735 -2.391 -6.647 1.00 0.00 N ATOM 922 CA ASP A 63 25.319 -3.129 -5.514 1.00 0.00 C ATOM 923 C ASP A 63 24.920 -4.625 -5.424 1.00 0.00 C ATOM 924 O ASP A 63 23.865 -5.019 -5.930 1.00 0.00 O ATOM 925 CB ASP A 63 25.132 -2.370 -4.187 1.00 0.00 C ATOM 926 CG ASP A 63 25.827 -1.000 -4.221 1.00 0.00 C ATOM 927 OD1 ASP A 63 27.064 -0.954 -4.015 1.00 0.00 O ATOM 928 OD2 ASP A 63 25.152 0.034 -4.444 1.00 0.00 O ATOM 0 H ASP A 63 25.454 -2.065 -7.293 1.00 0.00 H new ATOM 0 HA ASP A 63 26.388 -3.169 -5.721 1.00 0.00 H new ATOM 0 HB2 ASP A 63 24.068 -2.235 -3.990 1.00 0.00 H new ATOM 0 HB3 ASP A 63 25.535 -2.964 -3.367 1.00 0.00 H new ATOM 933 N PRO A 64 25.751 -5.494 -4.801 1.00 0.00 N ATOM 934 CA PRO A 64 25.436 -6.917 -4.643 1.00 0.00 C ATOM 935 C PRO A 64 24.170 -7.135 -3.809 1.00 0.00 C ATOM 936 O PRO A 64 24.034 -6.552 -2.731 1.00 0.00 O ATOM 937 CB PRO A 64 26.658 -7.551 -3.965 1.00 0.00 C ATOM 938 CG PRO A 64 27.796 -6.588 -4.300 1.00 0.00 C ATOM 939 CD PRO A 64 27.088 -5.234 -4.276 1.00 0.00 C ATOM 0 HA PRO A 64 25.233 -7.375 -5.611 1.00 0.00 H new ATOM 0 HB2 PRO A 64 26.516 -7.644 -2.888 1.00 0.00 H new ATOM 0 HB3 PRO A 64 26.854 -8.552 -4.348 1.00 0.00 H new ATOM 0 HG2 PRO A 64 28.602 -6.639 -3.568 1.00 0.00 H new ATOM 0 HG3 PRO A 64 28.236 -6.800 -5.274 1.00 0.00 H new ATOM 0 HD2 PRO A 64 27.043 -4.831 -3.264 1.00 0.00 H new ATOM 0 HD3 PRO A 64 27.616 -4.502 -4.887 1.00 0.00 H new ATOM 947 N ILE A 65 23.263 -8.006 -4.260 1.00 0.00 N ATOM 948 CA ILE A 65 21.942 -8.179 -3.631 1.00 0.00 C ATOM 949 C ILE A 65 22.004 -8.524 -2.129 1.00 0.00 C ATOM 950 O ILE A 65 21.195 -8.027 -1.346 1.00 0.00 O ATOM 951 CB ILE A 65 21.108 -9.193 -4.448 1.00 0.00 C ATOM 952 CG1 ILE A 65 19.619 -9.057 -4.078 1.00 0.00 C ATOM 953 CG2 ILE A 65 21.620 -10.641 -4.294 1.00 0.00 C ATOM 954 CD1 ILE A 65 18.704 -9.989 -4.872 1.00 0.00 C ATOM 0 H ILE A 65 23.418 -8.610 -5.067 1.00 0.00 H new ATOM 0 HA ILE A 65 21.438 -7.213 -3.655 1.00 0.00 H new ATOM 0 HB ILE A 65 21.225 -8.957 -5.506 1.00 0.00 H new ATOM 0 HG12 ILE A 65 19.497 -9.261 -3.014 1.00 0.00 H new ATOM 0 HG13 ILE A 65 19.305 -8.026 -4.242 1.00 0.00 H new ATOM 0 HG21 ILE A 65 20.999 -11.312 -4.888 1.00 0.00 H new ATOM 0 HG22 ILE A 65 22.652 -10.701 -4.640 1.00 0.00 H new ATOM 0 HG23 ILE A 65 21.571 -10.935 -3.245 1.00 0.00 H new ATOM 0 HD11 ILE A 65 17.671 -9.838 -4.559 1.00 0.00 H new ATOM 0 HD12 ILE A 65 18.796 -9.770 -5.936 1.00 0.00 H new ATOM 0 HD13 ILE A 65 18.992 -11.024 -4.689 1.00 0.00 H new ATOM 966 N GLU A 66 23.017 -9.284 -1.699 1.00 0.00 N ATOM 967 CA GLU A 66 23.189 -9.695 -0.297 1.00 0.00 C ATOM 968 C GLU A 66 23.590 -8.540 0.651 1.00 0.00 C ATOM 969 O GLU A 66 23.572 -8.719 1.872 1.00 0.00 O ATOM 970 CB GLU A 66 24.190 -10.859 -0.205 1.00 0.00 C ATOM 971 CG GLU A 66 23.746 -12.108 -0.980 1.00 0.00 C ATOM 972 CD GLU A 66 24.732 -13.269 -0.750 1.00 0.00 C ATOM 973 OE1 GLU A 66 24.560 -14.040 0.228 1.00 0.00 O ATOM 974 OE2 GLU A 66 25.694 -13.424 -1.541 1.00 0.00 O ATOM 0 H GLU A 66 23.748 -9.635 -2.318 1.00 0.00 H new ATOM 0 HA GLU A 66 22.210 -10.027 0.049 1.00 0.00 H new ATOM 0 HB2 GLU A 66 25.156 -10.528 -0.586 1.00 0.00 H new ATOM 0 HB3 GLU A 66 24.334 -11.123 0.843 1.00 0.00 H new ATOM 0 HG2 GLU A 66 22.747 -12.404 -0.661 1.00 0.00 H new ATOM 0 HG3 GLU A 66 23.686 -11.880 -2.044 1.00 0.00 H new ATOM 981 N ASN A 67 23.914 -7.346 0.126 1.00 0.00 N ATOM 982 CA ASN A 67 24.106 -6.141 0.947 1.00 0.00 C ATOM 983 C ASN A 67 22.770 -5.556 1.472 1.00 0.00 C ATOM 984 O ASN A 67 22.767 -4.812 2.456 1.00 0.00 O ATOM 985 CB ASN A 67 24.961 -5.099 0.186 1.00 0.00 C ATOM 986 CG ASN A 67 24.153 -3.935 -0.380 1.00 0.00 C ATOM 987 OD1 ASN A 67 24.085 -2.853 0.187 1.00 0.00 O ATOM 988 ND2 ASN A 67 23.493 -4.123 -1.493 1.00 0.00 N ATOM 0 H ASN A 67 24.049 -7.191 -0.873 1.00 0.00 H new ATOM 0 HA ASN A 67 24.659 -6.431 1.840 1.00 0.00 H new ATOM 0 HB2 ASN A 67 25.723 -4.707 0.859 1.00 0.00 H new ATOM 0 HB3 ASN A 67 25.483 -5.598 -0.631 1.00 0.00 H new ATOM 0 HD21 ASN A 67 22.926 -3.370 -1.883 1.00 0.00 H new ATOM 0 HD22 ASN A 67 23.545 -5.023 -1.971 1.00 0.00 H new ATOM 995 N PHE A 68 21.645 -5.891 0.828 1.00 0.00 N ATOM 996 CA PHE A 68 20.304 -5.397 1.157 1.00 0.00 C ATOM 997 C PHE A 68 19.511 -6.371 2.056 1.00 0.00 C ATOM 998 O PHE A 68 19.909 -7.517 2.276 1.00 0.00 O ATOM 999 CB PHE A 68 19.544 -5.090 -0.148 1.00 0.00 C ATOM 1000 CG PHE A 68 20.196 -4.081 -1.079 1.00 0.00 C ATOM 1001 CD1 PHE A 68 20.521 -2.790 -0.618 1.00 0.00 C ATOM 1002 CD2 PHE A 68 20.444 -4.425 -2.421 1.00 0.00 C ATOM 1003 CE1 PHE A 68 21.096 -1.851 -1.495 1.00 0.00 C ATOM 1004 CE2 PHE A 68 21.011 -3.483 -3.296 1.00 0.00 C ATOM 1005 CZ PHE A 68 21.336 -2.195 -2.836 1.00 0.00 C ATOM 0 H PHE A 68 21.644 -6.535 0.037 1.00 0.00 H new ATOM 0 HA PHE A 68 20.414 -4.482 1.739 1.00 0.00 H new ATOM 0 HB2 PHE A 68 19.409 -6.024 -0.694 1.00 0.00 H new ATOM 0 HB3 PHE A 68 18.550 -4.726 0.111 1.00 0.00 H new ATOM 0 HD1 PHE A 68 20.329 -2.520 0.410 1.00 0.00 H new ATOM 0 HD2 PHE A 68 20.198 -5.414 -2.779 1.00 0.00 H new ATOM 0 HE1 PHE A 68 21.353 -0.865 -1.137 1.00 0.00 H new ATOM 0 HE2 PHE A 68 21.198 -3.750 -4.326 1.00 0.00 H new ATOM 0 HZ PHE A 68 21.769 -1.472 -3.511 1.00 0.00 H new ATOM 1015 N ASN A 69 18.352 -5.914 2.544 1.00 0.00 N ATOM 1016 CA ASN A 69 17.373 -6.692 3.321 1.00 0.00 C ATOM 1017 C ASN A 69 16.067 -6.883 2.527 1.00 0.00 C ATOM 1018 O ASN A 69 15.344 -5.918 2.278 1.00 0.00 O ATOM 1019 CB ASN A 69 17.148 -6.013 4.695 1.00 0.00 C ATOM 1020 CG ASN A 69 17.097 -4.481 4.686 1.00 0.00 C ATOM 1021 OD1 ASN A 69 17.818 -3.813 5.414 1.00 0.00 O ATOM 1022 ND2 ASN A 69 16.272 -3.868 3.865 1.00 0.00 N ATOM 0 H ASN A 69 18.055 -4.948 2.403 1.00 0.00 H new ATOM 0 HA ASN A 69 17.763 -7.693 3.507 1.00 0.00 H new ATOM 0 HB2 ASN A 69 16.213 -6.386 5.114 1.00 0.00 H new ATOM 0 HB3 ASN A 69 17.946 -6.326 5.368 1.00 0.00 H new ATOM 0 HD21 ASN A 69 16.240 -2.849 3.841 1.00 0.00 H new ATOM 0 HD22 ASN A 69 15.665 -4.412 3.252 1.00 0.00 H new ATOM 1029 N ALA A 70 15.719 -8.112 2.150 1.00 0.00 N ATOM 1030 CA ALA A 70 14.621 -8.385 1.214 1.00 0.00 C ATOM 1031 C ALA A 70 13.212 -8.090 1.761 1.00 0.00 C ATOM 1032 O ALA A 70 12.264 -7.931 0.995 1.00 0.00 O ATOM 1033 CB ALA A 70 14.728 -9.848 0.813 1.00 0.00 C ATOM 0 H ALA A 70 16.190 -8.952 2.485 1.00 0.00 H new ATOM 0 HA ALA A 70 14.733 -7.707 0.368 1.00 0.00 H new ATOM 0 HB1 ALA A 70 13.927 -10.093 0.115 1.00 0.00 H new ATOM 0 HB2 ALA A 70 15.692 -10.025 0.336 1.00 0.00 H new ATOM 0 HB3 ALA A 70 14.641 -10.476 1.700 1.00 0.00 H new ATOM 1039 N ASP A 71 13.072 -7.989 3.084 1.00 0.00 N ATOM 1040 CA ASP A 71 11.781 -7.773 3.756 1.00 0.00 C ATOM 1041 C ASP A 71 11.181 -6.390 3.450 1.00 0.00 C ATOM 1042 O ASP A 71 9.964 -6.194 3.469 1.00 0.00 O ATOM 1043 CB ASP A 71 12.012 -7.885 5.266 1.00 0.00 C ATOM 1044 CG ASP A 71 10.694 -7.868 6.059 1.00 0.00 C ATOM 1045 OD1 ASP A 71 9.894 -8.826 5.922 1.00 0.00 O ATOM 1046 OD2 ASP A 71 10.471 -6.922 6.853 1.00 0.00 O ATOM 0 H ASP A 71 13.859 -8.055 3.730 1.00 0.00 H new ATOM 0 HA ASP A 71 11.077 -8.522 3.392 1.00 0.00 H new ATOM 0 HB2 ASP A 71 12.552 -8.807 5.482 1.00 0.00 H new ATOM 0 HB3 ASP A 71 12.644 -7.061 5.597 1.00 0.00 H new ATOM 1051 N ASP A 72 12.061 -5.437 3.138 1.00 0.00 N ATOM 1052 CA ASP A 72 11.746 -4.053 2.811 1.00 0.00 C ATOM 1053 C ASP A 72 11.438 -3.866 1.312 1.00 0.00 C ATOM 1054 O ASP A 72 11.078 -2.769 0.888 1.00 0.00 O ATOM 1055 CB ASP A 72 12.927 -3.203 3.289 1.00 0.00 C ATOM 1056 CG ASP A 72 12.621 -1.695 3.273 1.00 0.00 C ATOM 1057 OD1 ASP A 72 11.665 -1.255 3.956 1.00 0.00 O ATOM 1058 OD2 ASP A 72 13.373 -0.935 2.614 1.00 0.00 O ATOM 0 H ASP A 72 13.063 -5.624 3.106 1.00 0.00 H new ATOM 0 HA ASP A 72 10.834 -3.736 3.316 1.00 0.00 H new ATOM 0 HB2 ASP A 72 13.199 -3.503 4.301 1.00 0.00 H new ATOM 0 HB3 ASP A 72 13.791 -3.401 2.655 1.00 0.00 H new ATOM 1063 N TYR A 73 11.554 -4.945 0.526 1.00 0.00 N ATOM 1064 CA TYR A 73 11.186 -5.044 -0.883 1.00 0.00 C ATOM 1065 C TYR A 73 10.038 -6.037 -1.000 1.00 0.00 C ATOM 1066 O TYR A 73 10.230 -7.217 -1.290 1.00 0.00 O ATOM 1067 CB TYR A 73 12.397 -5.431 -1.743 1.00 0.00 C ATOM 1068 CG TYR A 73 13.549 -4.466 -1.577 1.00 0.00 C ATOM 1069 CD1 TYR A 73 13.656 -3.329 -2.396 1.00 0.00 C ATOM 1070 CD2 TYR A 73 14.468 -4.674 -0.538 1.00 0.00 C ATOM 1071 CE1 TYR A 73 14.699 -2.411 -2.180 1.00 0.00 C ATOM 1072 CE2 TYR A 73 15.492 -3.746 -0.292 1.00 0.00 C ATOM 1073 CZ TYR A 73 15.613 -2.604 -1.120 1.00 0.00 C ATOM 1074 OH TYR A 73 16.599 -1.688 -0.906 1.00 0.00 O ATOM 0 H TYR A 73 11.931 -5.823 0.884 1.00 0.00 H new ATOM 0 HA TYR A 73 10.854 -4.077 -1.262 1.00 0.00 H new ATOM 0 HB2 TYR A 73 12.725 -6.435 -1.474 1.00 0.00 H new ATOM 0 HB3 TYR A 73 12.100 -5.463 -2.791 1.00 0.00 H new ATOM 0 HD1 TYR A 73 12.941 -3.161 -3.187 1.00 0.00 H new ATOM 0 HD2 TYR A 73 14.387 -5.557 0.079 1.00 0.00 H new ATOM 0 HE1 TYR A 73 14.802 -1.553 -2.828 1.00 0.00 H new ATOM 0 HE2 TYR A 73 16.183 -3.902 0.523 1.00 0.00 H new ATOM 0 HH TYR A 73 17.142 -1.966 -0.139 1.00 0.00 H new ATOM 1084 N ASP A 74 8.827 -5.550 -0.735 1.00 0.00 N ATOM 1085 CA ASP A 74 7.569 -6.306 -0.782 1.00 0.00 C ATOM 1086 C ASP A 74 7.380 -7.071 -2.103 1.00 0.00 C ATOM 1087 O ASP A 74 6.729 -8.114 -2.140 1.00 0.00 O ATOM 1088 CB ASP A 74 6.388 -5.332 -0.630 1.00 0.00 C ATOM 1089 CG ASP A 74 6.615 -4.272 0.460 1.00 0.00 C ATOM 1090 OD1 ASP A 74 7.321 -3.282 0.154 1.00 0.00 O ATOM 1091 OD2 ASP A 74 6.089 -4.431 1.588 1.00 0.00 O ATOM 0 H ASP A 74 8.686 -4.575 -0.470 1.00 0.00 H new ATOM 0 HA ASP A 74 7.607 -7.032 0.030 1.00 0.00 H new ATOM 0 HB2 ASP A 74 6.212 -4.833 -1.583 1.00 0.00 H new ATOM 0 HB3 ASP A 74 5.486 -5.898 -0.396 1.00 0.00 H new ATOM 1096 N VAL A 75 7.959 -6.552 -3.190 1.00 0.00 N ATOM 1097 CA VAL A 75 7.867 -7.083 -4.550 1.00 0.00 C ATOM 1098 C VAL A 75 9.276 -7.169 -5.144 1.00 0.00 C ATOM 1099 O VAL A 75 10.039 -6.205 -5.097 1.00 0.00 O ATOM 1100 CB VAL A 75 6.911 -6.188 -5.364 1.00 0.00 C ATOM 1101 CG1 VAL A 75 6.878 -6.582 -6.844 1.00 0.00 C ATOM 1102 CG2 VAL A 75 5.480 -6.271 -4.810 1.00 0.00 C ATOM 0 H VAL A 75 8.532 -5.709 -3.141 1.00 0.00 H new ATOM 0 HA VAL A 75 7.454 -8.092 -4.566 1.00 0.00 H new ATOM 0 HB VAL A 75 7.291 -5.170 -5.275 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.192 -5.926 -7.380 1.00 0.00 H new ATOM 0 HG12 VAL A 75 7.877 -6.487 -7.268 1.00 0.00 H new ATOM 0 HG13 VAL A 75 6.541 -7.614 -6.938 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.824 -5.631 -5.400 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.128 -7.301 -4.865 1.00 0.00 H new ATOM 0 HG23 VAL A 75 5.472 -5.939 -3.772 1.00 0.00 H new ATOM 1112 N VAL A 76 9.647 -8.317 -5.719 1.00 0.00 N ATOM 1113 CA VAL A 76 10.982 -8.537 -6.311 1.00 0.00 C ATOM 1114 C VAL A 76 10.837 -9.180 -7.683 1.00 0.00 C ATOM 1115 O VAL A 76 10.142 -10.182 -7.828 1.00 0.00 O ATOM 1116 CB VAL A 76 11.881 -9.383 -5.386 1.00 0.00 C ATOM 1117 CG1 VAL A 76 13.194 -9.791 -6.074 1.00 0.00 C ATOM 1118 CG2 VAL A 76 12.263 -8.610 -4.113 1.00 0.00 C ATOM 0 H VAL A 76 9.031 -9.127 -5.790 1.00 0.00 H new ATOM 0 HA VAL A 76 11.472 -7.570 -6.428 1.00 0.00 H new ATOM 0 HB VAL A 76 11.295 -10.269 -5.139 1.00 0.00 H new ATOM 0 HG11 VAL A 76 13.796 -10.385 -5.386 1.00 0.00 H new ATOM 0 HG12 VAL A 76 12.971 -10.381 -6.963 1.00 0.00 H new ATOM 0 HG13 VAL A 76 13.747 -8.897 -6.361 1.00 0.00 H new ATOM 0 HG21 VAL A 76 12.896 -9.235 -3.484 1.00 0.00 H new ATOM 0 HG22 VAL A 76 12.804 -7.704 -4.386 1.00 0.00 H new ATOM 0 HG23 VAL A 76 11.360 -8.342 -3.565 1.00 0.00 H new ATOM 1128 N ILE A 77 11.485 -8.602 -8.695 1.00 0.00 N ATOM 1129 CA ILE A 77 11.350 -8.990 -10.101 1.00 0.00 C ATOM 1130 C ILE A 77 12.735 -9.301 -10.668 1.00 0.00 C ATOM 1131 O ILE A 77 13.598 -8.427 -10.732 1.00 0.00 O ATOM 1132 CB ILE A 77 10.649 -7.868 -10.902 1.00 0.00 C ATOM 1133 CG1 ILE A 77 9.324 -7.365 -10.274 1.00 0.00 C ATOM 1134 CG2 ILE A 77 10.420 -8.333 -12.350 1.00 0.00 C ATOM 1135 CD1 ILE A 77 8.216 -8.415 -10.164 1.00 0.00 C ATOM 0 H ILE A 77 12.136 -7.830 -8.556 1.00 0.00 H new ATOM 0 HA ILE A 77 10.731 -9.884 -10.182 1.00 0.00 H new ATOM 0 HB ILE A 77 11.321 -7.010 -10.879 1.00 0.00 H new ATOM 0 HG12 ILE A 77 9.537 -6.978 -9.277 1.00 0.00 H new ATOM 0 HG13 ILE A 77 8.953 -6.529 -10.868 1.00 0.00 H new ATOM 0 HG21 ILE A 77 9.926 -7.541 -12.913 1.00 0.00 H new ATOM 0 HG22 ILE A 77 11.379 -8.564 -12.814 1.00 0.00 H new ATOM 0 HG23 ILE A 77 9.793 -9.224 -12.351 1.00 0.00 H new ATOM 0 HD11 ILE A 77 7.332 -7.965 -9.713 1.00 0.00 H new ATOM 0 HD12 ILE A 77 7.967 -8.787 -11.158 1.00 0.00 H new ATOM 0 HD13 ILE A 77 8.559 -9.242 -9.543 1.00 0.00 H new ATOM 1147 N SER A 78 12.957 -10.543 -11.084 1.00 0.00 N ATOM 1148 CA SER A 78 14.197 -10.982 -11.731 1.00 0.00 C ATOM 1149 C SER A 78 14.120 -10.817 -13.253 1.00 0.00 C ATOM 1150 O SER A 78 13.031 -10.812 -13.823 1.00 0.00 O ATOM 1151 CB SER A 78 14.516 -12.409 -11.278 1.00 0.00 C ATOM 1152 OG SER A 78 15.659 -12.903 -11.938 1.00 0.00 O ATOM 0 H SER A 78 12.270 -11.290 -10.981 1.00 0.00 H new ATOM 0 HA SER A 78 15.028 -10.348 -11.422 1.00 0.00 H new ATOM 0 HB2 SER A 78 14.678 -12.425 -10.200 1.00 0.00 H new ATOM 0 HB3 SER A 78 13.665 -13.058 -11.482 1.00 0.00 H new ATOM 0 HG SER A 78 15.442 -13.086 -12.876 1.00 0.00 H new ATOM 1158 N LEU A 79 15.262 -10.647 -13.929 1.00 0.00 N ATOM 1159 CA LEU A 79 15.348 -10.476 -15.394 1.00 0.00 C ATOM 1160 C LEU A 79 16.439 -11.365 -16.014 1.00 0.00 C ATOM 1161 O LEU A 79 17.132 -10.953 -16.943 1.00 0.00 O ATOM 1162 CB LEU A 79 15.516 -8.983 -15.768 1.00 0.00 C ATOM 1163 CG LEU A 79 14.480 -8.024 -15.150 1.00 0.00 C ATOM 1164 CD1 LEU A 79 15.000 -7.391 -13.857 1.00 0.00 C ATOM 1165 CD2 LEU A 79 14.158 -6.871 -16.095 1.00 0.00 C ATOM 0 H LEU A 79 16.172 -10.623 -13.470 1.00 0.00 H new ATOM 0 HA LEU A 79 14.405 -10.812 -15.825 1.00 0.00 H new ATOM 0 HB2 LEU A 79 16.511 -8.660 -15.463 1.00 0.00 H new ATOM 0 HB3 LEU A 79 15.469 -8.891 -16.853 1.00 0.00 H new ATOM 0 HG LEU A 79 13.594 -8.629 -14.956 1.00 0.00 H new ATOM 0 HD11 LEU A 79 14.243 -6.721 -13.450 1.00 0.00 H new ATOM 0 HD12 LEU A 79 15.220 -8.174 -13.131 1.00 0.00 H new ATOM 0 HD13 LEU A 79 15.908 -6.827 -14.068 1.00 0.00 H new ATOM 0 HD21 LEU A 79 13.424 -6.213 -15.629 1.00 0.00 H new ATOM 0 HD22 LEU A 79 15.068 -6.309 -16.306 1.00 0.00 H new ATOM 0 HD23 LEU A 79 13.752 -7.266 -17.026 1.00 0.00 H new ATOM 1177 N CYS A 80 16.619 -12.572 -15.473 1.00 0.00 N ATOM 1178 CA CYS A 80 17.751 -13.452 -15.777 1.00 0.00 C ATOM 1179 C CYS A 80 17.488 -14.531 -16.845 1.00 0.00 C ATOM 1180 O CYS A 80 18.447 -15.158 -17.296 1.00 0.00 O ATOM 1181 CB CYS A 80 18.201 -14.105 -14.467 1.00 0.00 C ATOM 1182 SG CYS A 80 18.681 -12.845 -13.244 1.00 0.00 S ATOM 0 H CYS A 80 15.969 -12.974 -14.797 1.00 0.00 H new ATOM 0 HA CYS A 80 18.525 -12.824 -16.218 1.00 0.00 H new ATOM 0 HB2 CYS A 80 17.394 -14.718 -14.066 1.00 0.00 H new ATOM 0 HB3 CYS A 80 19.042 -14.771 -14.658 1.00 0.00 H new ATOM 0 HG CYS A 80 17.672 -12.590 -12.465 1.00 0.00 H new ATOM 1229 N ASN A 85 20.066 -17.271 -9.268 1.00 0.00 N ATOM 1230 CA ASN A 85 20.301 -17.853 -7.943 1.00 0.00 C ATOM 1231 C ASN A 85 20.037 -16.778 -6.869 1.00 0.00 C ATOM 1232 O ASN A 85 20.540 -15.659 -6.989 1.00 0.00 O ATOM 1233 CB ASN A 85 21.739 -18.408 -7.902 1.00 0.00 C ATOM 1234 CG ASN A 85 22.074 -19.161 -6.618 1.00 0.00 C ATOM 1235 OD1 ASN A 85 21.230 -19.442 -5.778 1.00 0.00 O ATOM 1236 ND2 ASN A 85 23.323 -19.525 -6.434 1.00 0.00 N ATOM 0 HA ASN A 85 19.623 -18.681 -7.739 1.00 0.00 H new ATOM 0 HB2 ASN A 85 21.885 -19.075 -8.752 1.00 0.00 H new ATOM 0 HB3 ASN A 85 22.440 -17.582 -8.021 1.00 0.00 H new ATOM 0 HD21 ASN A 85 23.586 -20.040 -5.593 1.00 0.00 H new ATOM 0 HD22 ASN A 85 24.030 -19.293 -7.132 1.00 0.00 H new ATOM 1243 N LEU A 86 19.229 -17.090 -5.851 1.00 0.00 N ATOM 1244 CA LEU A 86 18.775 -16.142 -4.820 1.00 0.00 C ATOM 1245 C LEU A 86 18.670 -16.789 -3.425 1.00 0.00 C ATOM 1246 O LEU A 86 18.174 -17.915 -3.321 1.00 0.00 O ATOM 1247 CB LEU A 86 17.375 -15.598 -5.193 1.00 0.00 C ATOM 1248 CG LEU A 86 17.315 -14.565 -6.326 1.00 0.00 C ATOM 1249 CD1 LEU A 86 15.857 -14.210 -6.609 1.00 0.00 C ATOM 1250 CD2 LEU A 86 18.031 -13.265 -5.969 1.00 0.00 C ATOM 0 H LEU A 86 18.861 -18.032 -5.715 1.00 0.00 H new ATOM 0 HA LEU A 86 19.518 -15.346 -4.780 1.00 0.00 H new ATOM 0 HB2 LEU A 86 16.745 -16.443 -5.470 1.00 0.00 H new ATOM 0 HB3 LEU A 86 16.935 -15.151 -4.301 1.00 0.00 H new ATOM 0 HG LEU A 86 17.805 -15.016 -7.189 1.00 0.00 H new ATOM 0 HD11 LEU A 86 15.811 -13.476 -7.414 1.00 0.00 H new ATOM 0 HD12 LEU A 86 15.315 -15.108 -6.905 1.00 0.00 H new ATOM 0 HD13 LEU A 86 15.403 -13.792 -5.710 1.00 0.00 H new ATOM 0 HD21 LEU A 86 17.959 -12.569 -6.804 1.00 0.00 H new ATOM 0 HD22 LEU A 86 17.566 -12.824 -5.087 1.00 0.00 H new ATOM 0 HD23 LEU A 86 19.080 -13.473 -5.760 1.00 0.00 H new ATOM 1262 N PRO A 87 19.061 -16.078 -2.344 1.00 0.00 N ATOM 1263 CA PRO A 87 18.779 -16.508 -0.973 1.00 0.00 C ATOM 1264 C PRO A 87 17.255 -16.528 -0.716 1.00 0.00 C ATOM 1265 O PRO A 87 16.534 -15.751 -1.351 1.00 0.00 O ATOM 1266 CB PRO A 87 19.503 -15.511 -0.056 1.00 0.00 C ATOM 1267 CG PRO A 87 20.581 -14.902 -0.950 1.00 0.00 C ATOM 1268 CD PRO A 87 19.939 -14.918 -2.337 1.00 0.00 C ATOM 0 HA PRO A 87 19.130 -17.522 -0.784 1.00 0.00 H new ATOM 0 HB2 PRO A 87 18.821 -14.749 0.323 1.00 0.00 H new ATOM 0 HB3 PRO A 87 19.938 -16.009 0.811 1.00 0.00 H new ATOM 0 HG2 PRO A 87 20.838 -13.890 -0.638 1.00 0.00 H new ATOM 0 HG3 PRO A 87 21.501 -15.486 -0.926 1.00 0.00 H new ATOM 0 HD2 PRO A 87 19.379 -14.001 -2.521 1.00 0.00 H new ATOM 0 HD3 PRO A 87 20.695 -14.993 -3.119 1.00 0.00 H new ATOM 1276 N PRO A 88 16.731 -17.345 0.222 1.00 0.00 N ATOM 1277 CA PRO A 88 15.279 -17.552 0.366 1.00 0.00 C ATOM 1278 C PRO A 88 14.471 -16.273 0.637 1.00 0.00 C ATOM 1279 O PRO A 88 13.347 -16.127 0.156 1.00 0.00 O ATOM 1280 CB PRO A 88 15.125 -18.554 1.515 1.00 0.00 C ATOM 1281 CG PRO A 88 16.434 -19.340 1.483 1.00 0.00 C ATOM 1282 CD PRO A 88 17.457 -18.287 1.068 1.00 0.00 C ATOM 0 HA PRO A 88 14.870 -17.915 -0.577 1.00 0.00 H new ATOM 0 HB2 PRO A 88 14.983 -18.049 2.471 1.00 0.00 H new ATOM 0 HB3 PRO A 88 14.263 -19.204 1.367 1.00 0.00 H new ATOM 0 HG2 PRO A 88 16.670 -19.770 2.456 1.00 0.00 H new ATOM 0 HG3 PRO A 88 16.392 -20.165 0.771 1.00 0.00 H new ATOM 0 HD2 PRO A 88 17.879 -17.786 1.939 1.00 0.00 H new ATOM 0 HD3 PRO A 88 18.288 -18.740 0.527 1.00 0.00 H new ATOM 1290 N GLU A 89 15.056 -15.299 1.342 1.00 0.00 N ATOM 1291 CA GLU A 89 14.388 -14.021 1.626 1.00 0.00 C ATOM 1292 C GLU A 89 14.069 -13.195 0.359 1.00 0.00 C ATOM 1293 O GLU A 89 13.138 -12.394 0.380 1.00 0.00 O ATOM 1294 CB GLU A 89 15.177 -13.227 2.677 1.00 0.00 C ATOM 1295 CG GLU A 89 16.549 -12.715 2.221 1.00 0.00 C ATOM 1296 CD GLU A 89 17.166 -11.794 3.296 1.00 0.00 C ATOM 1297 OE1 GLU A 89 17.882 -12.306 4.192 1.00 0.00 O ATOM 1298 OE2 GLU A 89 16.941 -10.558 3.257 1.00 0.00 O ATOM 0 H GLU A 89 15.997 -15.371 1.729 1.00 0.00 H new ATOM 0 HA GLU A 89 13.410 -14.254 2.047 1.00 0.00 H new ATOM 0 HB2 GLU A 89 14.575 -12.374 2.990 1.00 0.00 H new ATOM 0 HB3 GLU A 89 15.317 -13.858 3.555 1.00 0.00 H new ATOM 0 HG2 GLU A 89 17.214 -13.558 2.031 1.00 0.00 H new ATOM 0 HG3 GLU A 89 16.447 -12.171 1.282 1.00 0.00 H new ATOM 1305 N TRP A 90 14.772 -13.428 -0.759 1.00 0.00 N ATOM 1306 CA TRP A 90 14.592 -12.712 -2.033 1.00 0.00 C ATOM 1307 C TRP A 90 13.555 -13.327 -2.991 1.00 0.00 C ATOM 1308 O TRP A 90 13.300 -12.757 -4.053 1.00 0.00 O ATOM 1309 CB TRP A 90 15.957 -12.534 -2.711 1.00 0.00 C ATOM 1310 CG TRP A 90 16.843 -11.554 -2.010 1.00 0.00 C ATOM 1311 CD1 TRP A 90 17.879 -11.844 -1.191 1.00 0.00 C ATOM 1312 CD2 TRP A 90 16.695 -10.108 -1.971 1.00 0.00 C ATOM 1313 NE1 TRP A 90 18.384 -10.674 -0.653 1.00 0.00 N ATOM 1314 CE2 TRP A 90 17.650 -9.580 -1.057 1.00 0.00 C ATOM 1315 CE3 TRP A 90 15.801 -9.197 -2.571 1.00 0.00 C ATOM 1316 CZ2 TRP A 90 17.671 -8.228 -0.699 1.00 0.00 C ATOM 1317 CZ3 TRP A 90 15.824 -7.831 -2.232 1.00 0.00 C ATOM 1318 CH2 TRP A 90 16.742 -7.349 -1.279 1.00 0.00 C ATOM 0 H TRP A 90 15.502 -14.139 -0.804 1.00 0.00 H new ATOM 0 HA TRP A 90 14.165 -11.741 -1.782 1.00 0.00 H new ATOM 0 HB2 TRP A 90 16.460 -13.500 -2.757 1.00 0.00 H new ATOM 0 HB3 TRP A 90 15.804 -12.204 -3.739 1.00 0.00 H new ATOM 0 HD1 TRP A 90 18.254 -12.836 -0.988 1.00 0.00 H new ATOM 0 HE1 TRP A 90 19.195 -10.627 -0.037 1.00 0.00 H new ATOM 0 HE3 TRP A 90 15.089 -9.552 -3.301 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 18.394 -7.864 0.016 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 15.134 -7.149 -2.705 1.00 0.00 H new ATOM 0 HH2 TRP A 90 16.732 -6.307 -0.995 1.00 0.00 H new ATOM 1329 N VAL A 91 12.958 -14.471 -2.635 1.00 0.00 N ATOM 1330 CA VAL A 91 11.895 -15.141 -3.420 1.00 0.00 C ATOM 1331 C VAL A 91 10.541 -15.228 -2.696 1.00 0.00 C ATOM 1332 O VAL A 91 9.511 -15.415 -3.340 1.00 0.00 O ATOM 1333 CB VAL A 91 12.330 -16.550 -3.858 1.00 0.00 C ATOM 1334 CG1 VAL A 91 13.478 -16.482 -4.868 1.00 0.00 C ATOM 1335 CG2 VAL A 91 12.763 -17.419 -2.669 1.00 0.00 C ATOM 0 H VAL A 91 13.199 -14.972 -1.780 1.00 0.00 H new ATOM 0 HA VAL A 91 11.749 -14.506 -4.294 1.00 0.00 H new ATOM 0 HB VAL A 91 11.458 -17.009 -4.323 1.00 0.00 H new ATOM 0 HG11 VAL A 91 13.766 -17.492 -5.161 1.00 0.00 H new ATOM 0 HG12 VAL A 91 13.155 -15.927 -5.749 1.00 0.00 H new ATOM 0 HG13 VAL A 91 14.332 -15.979 -4.415 1.00 0.00 H new ATOM 0 HG21 VAL A 91 13.061 -18.404 -3.028 1.00 0.00 H new ATOM 0 HG22 VAL A 91 13.605 -16.948 -2.161 1.00 0.00 H new ATOM 0 HG23 VAL A 91 11.931 -17.523 -1.972 1.00 0.00 H new ATOM 1345 N THR A 92 10.529 -15.097 -1.365 1.00 0.00 N ATOM 1346 CA THR A 92 9.361 -15.320 -0.485 1.00 0.00 C ATOM 1347 C THR A 92 8.389 -14.119 -0.398 1.00 0.00 C ATOM 1348 O THR A 92 7.450 -14.122 0.401 1.00 0.00 O ATOM 1349 CB THR A 92 9.868 -15.795 0.892 1.00 0.00 C ATOM 1350 OG1 THR A 92 8.833 -16.278 1.726 1.00 0.00 O ATOM 1351 CG2 THR A 92 10.648 -14.705 1.621 1.00 0.00 C ATOM 0 H THR A 92 11.362 -14.822 -0.844 1.00 0.00 H new ATOM 0 HA THR A 92 8.744 -16.100 -0.931 1.00 0.00 H new ATOM 0 HB THR A 92 10.539 -16.627 0.679 1.00 0.00 H new ATOM 0 HG1 THR A 92 8.024 -15.743 1.586 1.00 0.00 H new ATOM 0 HG21 THR A 92 10.986 -15.083 2.586 1.00 0.00 H new ATOM 0 HG22 THR A 92 11.511 -14.413 1.023 1.00 0.00 H new ATOM 0 HG23 THR A 92 10.005 -13.839 1.776 1.00 0.00 H new ATOM 1359 N GLN A 93 8.609 -13.080 -1.208 1.00 0.00 N ATOM 1360 CA GLN A 93 7.765 -11.889 -1.368 1.00 0.00 C ATOM 1361 C GLN A 93 6.308 -12.209 -1.746 1.00 0.00 C ATOM 1362 O GLN A 93 6.012 -13.276 -2.287 1.00 0.00 O ATOM 1363 CB GLN A 93 8.385 -10.996 -2.462 1.00 0.00 C ATOM 1364 CG GLN A 93 9.492 -10.086 -1.917 1.00 0.00 C ATOM 1365 CD GLN A 93 10.771 -10.813 -1.508 1.00 0.00 C ATOM 1366 OE1 GLN A 93 11.064 -11.914 -1.953 1.00 0.00 O ATOM 1367 NE2 GLN A 93 11.572 -10.256 -0.630 1.00 0.00 N ATOM 0 H GLN A 93 9.433 -13.044 -1.808 1.00 0.00 H new ATOM 0 HA GLN A 93 7.731 -11.386 -0.401 1.00 0.00 H new ATOM 0 HB2 GLN A 93 8.793 -11.626 -3.253 1.00 0.00 H new ATOM 0 HB3 GLN A 93 7.604 -10.383 -2.913 1.00 0.00 H new ATOM 0 HG2 GLN A 93 9.739 -9.343 -2.675 1.00 0.00 H new ATOM 0 HG3 GLN A 93 9.106 -9.544 -1.054 1.00 0.00 H new ATOM 0 HE21 GLN A 93 11.348 -9.338 -0.245 1.00 0.00 H new ATOM 0 HE22 GLN A 93 12.419 -10.741 -0.332 1.00 0.00 H new ATOM 1376 N GLU A 94 5.399 -11.249 -1.524 1.00 0.00 N ATOM 1377 CA GLU A 94 3.994 -11.395 -1.946 1.00 0.00 C ATOM 1378 C GLU A 94 3.850 -11.528 -3.473 1.00 0.00 C ATOM 1379 O GLU A 94 2.983 -12.269 -3.944 1.00 0.00 O ATOM 1380 CB GLU A 94 3.105 -10.265 -1.399 1.00 0.00 C ATOM 1381 CG GLU A 94 3.492 -8.826 -1.772 1.00 0.00 C ATOM 1382 CD GLU A 94 2.398 -7.841 -1.316 1.00 0.00 C ATOM 1383 OE1 GLU A 94 2.411 -7.417 -0.134 1.00 0.00 O ATOM 1384 OE2 GLU A 94 1.509 -7.491 -2.130 1.00 0.00 O ATOM 0 H GLU A 94 5.608 -10.366 -1.057 1.00 0.00 H new ATOM 0 HA GLU A 94 3.642 -12.329 -1.508 1.00 0.00 H new ATOM 0 HB2 GLU A 94 2.086 -10.441 -1.742 1.00 0.00 H new ATOM 0 HB3 GLU A 94 3.093 -10.341 -0.312 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.442 -8.566 -1.306 1.00 0.00 H new ATOM 0 HG3 GLU A 94 3.634 -8.748 -2.850 1.00 0.00 H new ATOM 1391 N ILE A 95 4.726 -10.856 -4.238 1.00 0.00 N ATOM 1392 CA ILE A 95 4.837 -11.012 -5.696 1.00 0.00 C ATOM 1393 C ILE A 95 6.308 -11.205 -6.098 1.00 0.00 C ATOM 1394 O ILE A 95 7.160 -10.360 -5.802 1.00 0.00 O ATOM 1395 CB ILE A 95 4.172 -9.822 -6.430 1.00 0.00 C ATOM 1396 CG1 ILE A 95 2.675 -9.706 -6.039 1.00 0.00 C ATOM 1397 CG2 ILE A 95 4.327 -9.960 -7.958 1.00 0.00 C ATOM 1398 CD1 ILE A 95 1.980 -8.441 -6.547 1.00 0.00 C ATOM 0 H ILE A 95 5.386 -10.180 -3.854 1.00 0.00 H new ATOM 0 HA ILE A 95 4.297 -11.908 -6.002 1.00 0.00 H new ATOM 0 HB ILE A 95 4.679 -8.908 -6.121 1.00 0.00 H new ATOM 0 HG12 ILE A 95 2.144 -10.576 -6.425 1.00 0.00 H new ATOM 0 HG13 ILE A 95 2.593 -9.738 -4.953 1.00 0.00 H new ATOM 0 HG21 ILE A 95 3.851 -9.112 -8.450 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.386 -9.982 -8.216 1.00 0.00 H new ATOM 0 HG23 ILE A 95 3.853 -10.884 -8.290 1.00 0.00 H new ATOM 0 HD11 ILE A 95 0.938 -8.445 -6.227 1.00 0.00 H new ATOM 0 HD12 ILE A 95 2.481 -7.562 -6.141 1.00 0.00 H new ATOM 0 HD13 ILE A 95 2.025 -8.413 -7.636 1.00 0.00 H new ATOM 1410 N PHE A 96 6.577 -12.305 -6.809 1.00 0.00 N ATOM 1411 CA PHE A 96 7.848 -12.593 -7.481 1.00 0.00 C ATOM 1412 C PHE A 96 7.598 -13.131 -8.899 1.00 0.00 C ATOM 1413 O PHE A 96 6.683 -13.927 -9.119 1.00 0.00 O ATOM 1414 CB PHE A 96 8.701 -13.578 -6.661 1.00 0.00 C ATOM 1415 CG PHE A 96 10.093 -13.827 -7.230 1.00 0.00 C ATOM 1416 CD1 PHE A 96 10.293 -14.737 -8.292 1.00 0.00 C ATOM 1417 CD2 PHE A 96 11.196 -13.129 -6.708 1.00 0.00 C ATOM 1418 CE1 PHE A 96 11.577 -14.927 -8.833 1.00 0.00 C ATOM 1419 CE2 PHE A 96 12.480 -13.324 -7.245 1.00 0.00 C ATOM 1420 CZ PHE A 96 12.671 -14.218 -8.312 1.00 0.00 C ATOM 0 H PHE A 96 5.889 -13.047 -6.937 1.00 0.00 H new ATOM 0 HA PHE A 96 8.407 -11.661 -7.561 1.00 0.00 H new ATOM 0 HB2 PHE A 96 8.800 -13.196 -5.645 1.00 0.00 H new ATOM 0 HB3 PHE A 96 8.173 -14.529 -6.594 1.00 0.00 H new ATOM 0 HD1 PHE A 96 9.455 -15.290 -8.691 1.00 0.00 H new ATOM 0 HD2 PHE A 96 11.056 -12.439 -5.889 1.00 0.00 H new ATOM 0 HE1 PHE A 96 11.722 -15.619 -9.650 1.00 0.00 H new ATOM 0 HE2 PHE A 96 13.322 -12.785 -6.836 1.00 0.00 H new ATOM 0 HZ PHE A 96 13.657 -14.359 -8.730 1.00 0.00 H new ATOM 1430 N GLU A 97 8.441 -12.728 -9.849 1.00 0.00 N ATOM 1431 CA GLU A 97 8.504 -13.280 -11.211 1.00 0.00 C ATOM 1432 C GLU A 97 9.899 -13.065 -11.826 1.00 0.00 C ATOM 1433 O GLU A 97 10.651 -12.192 -11.385 1.00 0.00 O ATOM 1434 CB GLU A 97 7.381 -12.719 -12.106 1.00 0.00 C ATOM 1435 CG GLU A 97 7.409 -11.202 -12.275 1.00 0.00 C ATOM 1436 CD GLU A 97 6.091 -10.693 -12.873 1.00 0.00 C ATOM 1437 OE1 GLU A 97 5.852 -10.871 -14.090 1.00 0.00 O ATOM 1438 OE2 GLU A 97 5.276 -10.095 -12.135 1.00 0.00 O ATOM 0 H GLU A 97 9.122 -11.985 -9.692 1.00 0.00 H new ATOM 0 HA GLU A 97 8.339 -14.355 -11.145 1.00 0.00 H new ATOM 0 HB2 GLU A 97 7.451 -13.183 -13.090 1.00 0.00 H new ATOM 0 HB3 GLU A 97 6.418 -13.008 -11.684 1.00 0.00 H new ATOM 0 HG2 GLU A 97 7.582 -10.728 -11.309 1.00 0.00 H new ATOM 0 HG3 GLU A 97 8.240 -10.919 -12.922 1.00 0.00 H new ATOM 1445 N ASP A 98 10.244 -13.859 -12.844 1.00 0.00 N ATOM 1446 CA ASP A 98 11.481 -13.725 -13.624 1.00 0.00 C ATOM 1447 C ASP A 98 11.180 -13.506 -15.118 1.00 0.00 C ATOM 1448 O ASP A 98 10.372 -14.228 -15.713 1.00 0.00 O ATOM 1449 CB ASP A 98 12.407 -14.927 -13.411 1.00 0.00 C ATOM 1450 CG ASP A 98 13.665 -14.812 -14.291 1.00 0.00 C ATOM 1451 OD1 ASP A 98 14.560 -13.996 -13.968 1.00 0.00 O ATOM 1452 OD2 ASP A 98 13.745 -15.530 -15.310 1.00 0.00 O ATOM 0 H ASP A 98 9.657 -14.632 -13.157 1.00 0.00 H new ATOM 0 HA ASP A 98 12.004 -12.840 -13.262 1.00 0.00 H new ATOM 0 HB2 ASP A 98 12.696 -14.987 -12.362 1.00 0.00 H new ATOM 0 HB3 ASP A 98 11.875 -15.848 -13.648 1.00 0.00 H new ATOM 1457 N TRP A 99 11.834 -12.508 -15.719 1.00 0.00 N ATOM 1458 CA TRP A 99 11.670 -12.094 -17.116 1.00 0.00 C ATOM 1459 C TRP A 99 12.823 -12.567 -18.016 1.00 0.00 C ATOM 1460 O TRP A 99 13.913 -12.891 -17.549 1.00 0.00 O ATOM 1461 CB TRP A 99 11.397 -10.581 -17.174 1.00 0.00 C ATOM 1462 CG TRP A 99 10.162 -10.090 -16.473 1.00 0.00 C ATOM 1463 CD1 TRP A 99 9.113 -10.855 -16.087 1.00 0.00 C ATOM 1464 CD2 TRP A 99 9.820 -8.722 -16.069 1.00 0.00 C ATOM 1465 NE1 TRP A 99 8.164 -10.074 -15.466 1.00 0.00 N ATOM 1466 CE2 TRP A 99 8.543 -8.755 -15.433 1.00 0.00 C ATOM 1467 CE3 TRP A 99 10.437 -7.452 -16.190 1.00 0.00 C ATOM 1468 CZ2 TRP A 99 7.921 -7.609 -14.927 1.00 0.00 C ATOM 1469 CZ3 TRP A 99 9.820 -6.291 -15.682 1.00 0.00 C ATOM 1470 CH2 TRP A 99 8.568 -6.369 -15.046 1.00 0.00 C ATOM 0 H TRP A 99 12.523 -11.941 -15.224 1.00 0.00 H new ATOM 0 HA TRP A 99 10.798 -12.595 -17.536 1.00 0.00 H new ATOM 0 HB2 TRP A 99 12.257 -10.064 -16.750 1.00 0.00 H new ATOM 0 HB3 TRP A 99 11.333 -10.287 -18.222 1.00 0.00 H new ATOM 0 HD1 TRP A 99 9.033 -11.921 -16.243 1.00 0.00 H new ATOM 0 HE1 TRP A 99 7.290 -10.430 -15.079 1.00 0.00 H new ATOM 0 HE3 TRP A 99 11.396 -7.372 -16.680 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 6.954 -7.677 -14.450 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 10.312 -5.335 -15.782 1.00 0.00 H new ATOM 0 HH2 TRP A 99 8.105 -5.477 -14.650 1.00 0.00 H new ATOM 1481 N GLN A 100 12.588 -12.558 -19.335 1.00 0.00 N ATOM 1482 CA GLN A 100 13.449 -13.196 -20.350 1.00 0.00 C ATOM 1483 C GLN A 100 14.005 -12.193 -21.380 1.00 0.00 C ATOM 1484 O GLN A 100 14.055 -12.458 -22.583 1.00 0.00 O ATOM 1485 CB GLN A 100 12.676 -14.374 -20.989 1.00 0.00 C ATOM 1486 CG GLN A 100 12.069 -15.332 -19.943 1.00 0.00 C ATOM 1487 CD GLN A 100 11.402 -16.579 -20.521 1.00 0.00 C ATOM 1488 OE1 GLN A 100 11.441 -16.881 -21.708 1.00 0.00 O ATOM 1489 NE2 GLN A 100 10.759 -17.359 -19.679 1.00 0.00 N ATOM 0 H GLN A 100 11.774 -12.096 -19.740 1.00 0.00 H new ATOM 0 HA GLN A 100 14.340 -13.593 -19.864 1.00 0.00 H new ATOM 0 HB2 GLN A 100 11.879 -13.980 -21.619 1.00 0.00 H new ATOM 0 HB3 GLN A 100 13.349 -14.933 -21.639 1.00 0.00 H new ATOM 0 HG2 GLN A 100 12.857 -15.644 -19.258 1.00 0.00 H new ATOM 0 HG3 GLN A 100 11.333 -14.784 -19.354 1.00 0.00 H new ATOM 0 HE21 GLN A 100 10.720 -17.118 -18.689 1.00 0.00 H new ATOM 0 HE22 GLN A 100 10.300 -18.205 -20.017 1.00 0.00 H new ATOM 1498 N LEU A 101 14.393 -11.010 -20.894 1.00 0.00 N ATOM 1499 CA LEU A 101 14.984 -9.943 -21.712 1.00 0.00 C ATOM 1500 C LEU A 101 16.409 -10.316 -22.164 1.00 0.00 C ATOM 1501 O LEU A 101 17.099 -11.111 -21.525 1.00 0.00 O ATOM 1502 CB LEU A 101 15.021 -8.611 -20.921 1.00 0.00 C ATOM 1503 CG LEU A 101 13.712 -7.878 -20.599 1.00 0.00 C ATOM 1504 CD1 LEU A 101 12.885 -7.562 -21.839 1.00 0.00 C ATOM 1505 CD2 LEU A 101 12.852 -8.620 -19.593 1.00 0.00 C ATOM 0 H LEU A 101 14.305 -10.762 -19.909 1.00 0.00 H new ATOM 0 HA LEU A 101 14.360 -9.818 -22.597 1.00 0.00 H new ATOM 0 HB2 LEU A 101 15.524 -8.809 -19.974 1.00 0.00 H new ATOM 0 HB3 LEU A 101 15.652 -7.919 -21.479 1.00 0.00 H new ATOM 0 HG LEU A 101 14.030 -6.936 -20.152 1.00 0.00 H new ATOM 0 HD11 LEU A 101 11.972 -7.044 -21.545 1.00 0.00 H new ATOM 0 HD12 LEU A 101 13.463 -6.926 -22.510 1.00 0.00 H new ATOM 0 HD13 LEU A 101 12.627 -8.489 -22.350 1.00 0.00 H new ATOM 0 HD21 LEU A 101 11.940 -8.053 -19.405 1.00 0.00 H new ATOM 0 HD22 LEU A 101 12.594 -9.602 -19.989 1.00 0.00 H new ATOM 0 HD23 LEU A 101 13.404 -8.739 -18.660 1.00 0.00 H new ATOM 1517 N GLU A 102 16.875 -9.656 -23.222 1.00 0.00 N ATOM 1518 CA GLU A 102 18.263 -9.685 -23.699 1.00 0.00 C ATOM 1519 C GLU A 102 18.961 -8.356 -23.354 1.00 0.00 C ATOM 1520 O GLU A 102 18.291 -7.361 -23.082 1.00 0.00 O ATOM 1521 CB GLU A 102 18.276 -10.008 -25.204 1.00 0.00 C ATOM 1522 CG GLU A 102 17.775 -8.870 -26.106 1.00 0.00 C ATOM 1523 CD GLU A 102 17.711 -9.332 -27.573 1.00 0.00 C ATOM 1524 OE1 GLU A 102 18.780 -9.431 -28.220 1.00 0.00 O ATOM 1525 OE2 GLU A 102 16.595 -9.603 -28.083 1.00 0.00 O ATOM 0 H GLU A 102 16.276 -9.062 -23.795 1.00 0.00 H new ATOM 0 HA GLU A 102 18.828 -10.471 -23.198 1.00 0.00 H new ATOM 0 HB2 GLU A 102 19.293 -10.266 -25.498 1.00 0.00 H new ATOM 0 HB3 GLU A 102 17.660 -10.890 -25.378 1.00 0.00 H new ATOM 0 HG2 GLU A 102 16.788 -8.546 -25.777 1.00 0.00 H new ATOM 0 HG3 GLU A 102 18.439 -8.010 -26.018 1.00 0.00 H new ATOM 1532 N ASP A 103 20.294 -8.309 -23.369 1.00 0.00 N ATOM 1533 CA ASP A 103 21.020 -7.037 -23.242 1.00 0.00 C ATOM 1534 C ASP A 103 21.236 -6.391 -24.623 1.00 0.00 C ATOM 1535 O ASP A 103 21.796 -7.031 -25.521 1.00 0.00 O ATOM 1536 CB ASP A 103 22.373 -7.207 -22.534 1.00 0.00 C ATOM 1537 CG ASP A 103 22.241 -7.733 -21.109 1.00 0.00 C ATOM 1538 OD1 ASP A 103 21.578 -7.081 -20.269 1.00 0.00 O ATOM 1539 OD2 ASP A 103 22.766 -8.829 -20.818 1.00 0.00 O ATOM 0 H ASP A 103 20.893 -9.129 -23.467 1.00 0.00 H new ATOM 0 HA ASP A 103 20.401 -6.383 -22.628 1.00 0.00 H new ATOM 0 HB2 ASP A 103 22.995 -7.891 -23.111 1.00 0.00 H new ATOM 0 HB3 ASP A 103 22.889 -6.247 -22.514 1.00 0.00 H new ATOM 1544 N PRO A 104 20.877 -5.106 -24.810 1.00 0.00 N ATOM 1545 CA PRO A 104 21.242 -4.360 -26.015 1.00 0.00 C ATOM 1546 C PRO A 104 22.713 -3.885 -26.003 1.00 0.00 C ATOM 1547 O PRO A 104 23.239 -3.508 -27.044 1.00 0.00 O ATOM 1548 CB PRO A 104 20.247 -3.201 -26.048 1.00 0.00 C ATOM 1549 CG PRO A 104 20.003 -2.899 -24.567 1.00 0.00 C ATOM 1550 CD PRO A 104 20.049 -4.287 -23.930 1.00 0.00 C ATOM 0 HA PRO A 104 21.186 -4.976 -26.912 1.00 0.00 H new ATOM 0 HB2 PRO A 104 20.655 -2.337 -26.572 1.00 0.00 H new ATOM 0 HB3 PRO A 104 19.325 -3.478 -26.559 1.00 0.00 H new ATOM 0 HG2 PRO A 104 20.768 -2.240 -24.157 1.00 0.00 H new ATOM 0 HG3 PRO A 104 19.042 -2.411 -24.406 1.00 0.00 H new ATOM 0 HD2 PRO A 104 20.472 -4.242 -22.926 1.00 0.00 H new ATOM 0 HD3 PRO A 104 19.047 -4.706 -23.835 1.00 0.00 H new ATOM 1594 N SER A 108 23.288 -3.476 -31.566 1.00 0.00 N ATOM 1595 CA SER A 108 23.052 -2.229 -32.318 1.00 0.00 C ATOM 1596 C SER A 108 22.035 -1.302 -31.639 1.00 0.00 C ATOM 1597 O SER A 108 21.248 -1.725 -30.790 1.00 0.00 O ATOM 1598 CB SER A 108 22.641 -2.573 -33.757 1.00 0.00 C ATOM 1599 OG SER A 108 22.559 -1.401 -34.553 1.00 0.00 O ATOM 0 HA SER A 108 23.985 -1.666 -32.336 1.00 0.00 H new ATOM 0 HB2 SER A 108 23.365 -3.263 -34.191 1.00 0.00 H new ATOM 0 HB3 SER A 108 21.678 -3.083 -33.753 1.00 0.00 H new ATOM 0 HG SER A 108 22.298 -1.643 -35.466 1.00 0.00 H new ATOM 1605 N LEU A 109 21.994 -0.033 -32.054 1.00 0.00 N ATOM 1606 CA LEU A 109 21.066 0.985 -31.547 1.00 0.00 C ATOM 1607 C LEU A 109 19.603 0.627 -31.850 1.00 0.00 C ATOM 1608 O LEU A 109 18.724 0.887 -31.031 1.00 0.00 O ATOM 1609 CB LEU A 109 21.459 2.369 -32.108 1.00 0.00 C ATOM 1610 CG LEU A 109 22.842 2.930 -31.703 1.00 0.00 C ATOM 1611 CD1 LEU A 109 23.128 2.781 -30.209 1.00 0.00 C ATOM 1612 CD2 LEU A 109 24.018 2.313 -32.466 1.00 0.00 C ATOM 0 H LEU A 109 22.623 0.326 -32.772 1.00 0.00 H new ATOM 0 HA LEU A 109 21.145 1.021 -30.460 1.00 0.00 H new ATOM 0 HB2 LEU A 109 21.422 2.315 -33.196 1.00 0.00 H new ATOM 0 HB3 LEU A 109 20.700 3.087 -31.798 1.00 0.00 H new ATOM 0 HG LEU A 109 22.768 3.985 -31.969 1.00 0.00 H new ATOM 0 HD11 LEU A 109 24.112 3.192 -29.984 1.00 0.00 H new ATOM 0 HD12 LEU A 109 22.371 3.319 -29.638 1.00 0.00 H new ATOM 0 HD13 LEU A 109 23.105 1.726 -29.938 1.00 0.00 H new ATOM 0 HD21 LEU A 109 24.950 2.761 -32.122 1.00 0.00 H new ATOM 0 HD22 LEU A 109 24.044 1.238 -32.287 1.00 0.00 H new ATOM 0 HD23 LEU A 109 23.898 2.500 -33.533 1.00 0.00 H new ATOM 1624 N GLU A 110 19.341 -0.086 -32.946 1.00 0.00 N ATOM 1625 CA GLU A 110 18.020 -0.666 -33.226 1.00 0.00 C ATOM 1626 C GLU A 110 17.619 -1.710 -32.167 1.00 0.00 C ATOM 1627 O GLU A 110 16.446 -1.815 -31.814 1.00 0.00 O ATOM 1628 CB GLU A 110 18.032 -1.257 -34.644 1.00 0.00 C ATOM 1629 CG GLU A 110 16.639 -1.696 -35.112 1.00 0.00 C ATOM 1630 CD GLU A 110 16.674 -2.156 -36.583 1.00 0.00 C ATOM 1631 OE1 GLU A 110 16.977 -3.346 -36.847 1.00 0.00 O ATOM 1632 OE2 GLU A 110 16.392 -1.334 -37.491 1.00 0.00 O ATOM 0 H GLU A 110 20.036 -0.280 -33.667 1.00 0.00 H new ATOM 0 HA GLU A 110 17.263 0.116 -33.173 1.00 0.00 H new ATOM 0 HB2 GLU A 110 18.428 -0.516 -35.339 1.00 0.00 H new ATOM 0 HB3 GLU A 110 18.707 -2.113 -34.671 1.00 0.00 H new ATOM 0 HG2 GLU A 110 16.278 -2.508 -34.481 1.00 0.00 H new ATOM 0 HG3 GLU A 110 15.936 -0.870 -35.001 1.00 0.00 H new ATOM 1639 N VAL A 111 18.584 -2.426 -31.574 1.00 0.00 N ATOM 1640 CA VAL A 111 18.326 -3.375 -30.477 1.00 0.00 C ATOM 1641 C VAL A 111 18.045 -2.633 -29.172 1.00 0.00 C ATOM 1642 O VAL A 111 17.102 -3.003 -28.482 1.00 0.00 O ATOM 1643 CB VAL A 111 19.423 -4.447 -30.334 1.00 0.00 C ATOM 1644 CG1 VAL A 111 18.993 -5.514 -29.321 1.00 0.00 C ATOM 1645 CG2 VAL A 111 19.669 -5.157 -31.673 1.00 0.00 C ATOM 0 H VAL A 111 19.567 -2.365 -31.840 1.00 0.00 H new ATOM 0 HA VAL A 111 17.425 -3.931 -30.737 1.00 0.00 H new ATOM 0 HB VAL A 111 20.331 -3.943 -30.003 1.00 0.00 H new ATOM 0 HG11 VAL A 111 19.777 -6.266 -29.229 1.00 0.00 H new ATOM 0 HG12 VAL A 111 18.823 -5.047 -28.351 1.00 0.00 H new ATOM 0 HG13 VAL A 111 18.073 -5.989 -29.661 1.00 0.00 H new ATOM 0 HG21 VAL A 111 20.447 -5.910 -31.548 1.00 0.00 H new ATOM 0 HG22 VAL A 111 18.749 -5.638 -32.004 1.00 0.00 H new ATOM 0 HG23 VAL A 111 19.986 -4.428 -32.419 1.00 0.00 H new ATOM 1655 N PHE A 112 18.741 -1.528 -28.863 1.00 0.00 N ATOM 1656 CA PHE A 112 18.364 -0.642 -27.738 1.00 0.00 C ATOM 1657 C PHE A 112 16.916 -0.147 -27.903 1.00 0.00 C ATOM 1658 O PHE A 112 16.108 -0.272 -26.985 1.00 0.00 O ATOM 1659 CB PHE A 112 19.328 0.558 -27.620 1.00 0.00 C ATOM 1660 CG PHE A 112 20.675 0.283 -26.972 1.00 0.00 C ATOM 1661 CD1 PHE A 112 20.826 0.416 -25.577 1.00 0.00 C ATOM 1662 CD2 PHE A 112 21.789 -0.078 -27.754 1.00 0.00 C ATOM 1663 CE1 PHE A 112 22.081 0.199 -24.976 1.00 0.00 C ATOM 1664 CE2 PHE A 112 23.043 -0.280 -27.155 1.00 0.00 C ATOM 1665 CZ PHE A 112 23.193 -0.136 -25.768 1.00 0.00 C ATOM 0 H PHE A 112 19.569 -1.222 -29.374 1.00 0.00 H new ATOM 0 HA PHE A 112 18.436 -1.224 -26.819 1.00 0.00 H new ATOM 0 HB2 PHE A 112 19.505 0.954 -28.620 1.00 0.00 H new ATOM 0 HB3 PHE A 112 18.829 1.342 -27.051 1.00 0.00 H new ATOM 0 HD1 PHE A 112 19.976 0.685 -24.967 1.00 0.00 H new ATOM 0 HD2 PHE A 112 21.678 -0.200 -28.821 1.00 0.00 H new ATOM 0 HE1 PHE A 112 22.189 0.290 -23.905 1.00 0.00 H new ATOM 0 HE2 PHE A 112 23.894 -0.547 -27.764 1.00 0.00 H new ATOM 0 HZ PHE A 112 24.160 -0.282 -25.310 1.00 0.00 H new ATOM 1675 N ARG A 113 16.551 0.325 -29.102 1.00 0.00 N ATOM 1676 CA ARG A 113 15.191 0.811 -29.415 1.00 0.00 C ATOM 1677 C ARG A 113 14.127 -0.301 -29.488 1.00 0.00 C ATOM 1678 O ARG A 113 12.948 -0.018 -29.302 1.00 0.00 O ATOM 1679 CB ARG A 113 15.236 1.667 -30.695 1.00 0.00 C ATOM 1680 CG ARG A 113 16.051 2.964 -30.505 1.00 0.00 C ATOM 1681 CD ARG A 113 15.939 3.886 -31.725 1.00 0.00 C ATOM 1682 NE ARG A 113 16.490 5.228 -31.438 1.00 0.00 N ATOM 1683 CZ ARG A 113 17.480 5.858 -32.042 1.00 0.00 C ATOM 1684 NH1 ARG A 113 18.172 5.322 -33.009 1.00 0.00 N ATOM 1685 NH2 ARG A 113 17.788 7.066 -31.675 1.00 0.00 N ATOM 0 H ARG A 113 17.193 0.383 -29.892 1.00 0.00 H new ATOM 0 HA ARG A 113 14.866 1.431 -28.580 1.00 0.00 H new ATOM 0 HB2 ARG A 113 15.672 1.082 -31.505 1.00 0.00 H new ATOM 0 HB3 ARG A 113 14.219 1.920 -30.996 1.00 0.00 H new ATOM 0 HG2 ARG A 113 15.698 3.489 -29.618 1.00 0.00 H new ATOM 0 HG3 ARG A 113 17.098 2.714 -30.332 1.00 0.00 H new ATOM 0 HD2 ARG A 113 16.472 3.444 -32.567 1.00 0.00 H new ATOM 0 HD3 ARG A 113 14.894 3.976 -32.021 1.00 0.00 H new ATOM 0 HE ARG A 113 16.046 5.734 -30.672 1.00 0.00 H new ATOM 0 HH11 ARG A 113 17.956 4.377 -33.328 1.00 0.00 H new ATOM 0 HH12 ARG A 113 18.929 5.847 -33.446 1.00 0.00 H new ATOM 0 HH21 ARG A 113 17.266 7.520 -30.925 1.00 0.00 H new ATOM 0 HH22 ARG A 113 18.552 7.560 -32.136 1.00 0.00 H new ATOM 1699 N THR A 114 14.535 -1.560 -29.663 1.00 0.00 N ATOM 1700 CA THR A 114 13.664 -2.751 -29.573 1.00 0.00 C ATOM 1701 C THR A 114 13.448 -3.202 -28.126 1.00 0.00 C ATOM 1702 O THR A 114 12.310 -3.389 -27.696 1.00 0.00 O ATOM 1703 CB THR A 114 14.232 -3.916 -30.408 1.00 0.00 C ATOM 1704 OG1 THR A 114 14.345 -3.530 -31.760 1.00 0.00 O ATOM 1705 CG2 THR A 114 13.330 -5.151 -30.390 1.00 0.00 C ATOM 0 H THR A 114 15.505 -1.793 -29.877 1.00 0.00 H new ATOM 0 HA THR A 114 12.695 -2.461 -29.980 1.00 0.00 H new ATOM 0 HB THR A 114 15.197 -4.160 -29.963 1.00 0.00 H new ATOM 0 HG1 THR A 114 15.155 -2.992 -31.880 1.00 0.00 H new ATOM 0 HG21 THR A 114 13.780 -5.939 -30.994 1.00 0.00 H new ATOM 0 HG22 THR A 114 13.214 -5.502 -29.365 1.00 0.00 H new ATOM 0 HG23 THR A 114 12.353 -4.894 -30.798 1.00 0.00 H new ATOM 1713 N VAL A 115 14.530 -3.369 -27.355 1.00 0.00 N ATOM 1714 CA VAL A 115 14.503 -3.933 -25.989 1.00 0.00 C ATOM 1715 C VAL A 115 13.837 -2.979 -25.003 1.00 0.00 C ATOM 1716 O VAL A 115 13.085 -3.438 -24.149 1.00 0.00 O ATOM 1717 CB VAL A 115 15.911 -4.394 -25.539 1.00 0.00 C ATOM 1718 CG1 VAL A 115 15.908 -4.897 -24.088 1.00 0.00 C ATOM 1719 CG2 VAL A 115 16.401 -5.550 -26.421 1.00 0.00 C ATOM 0 H VAL A 115 15.468 -3.113 -27.664 1.00 0.00 H new ATOM 0 HA VAL A 115 13.883 -4.829 -26.005 1.00 0.00 H new ATOM 0 HB VAL A 115 16.566 -3.527 -25.627 1.00 0.00 H new ATOM 0 HG11 VAL A 115 16.914 -5.211 -23.810 1.00 0.00 H new ATOM 0 HG12 VAL A 115 15.582 -4.095 -23.426 1.00 0.00 H new ATOM 0 HG13 VAL A 115 15.226 -5.742 -23.997 1.00 0.00 H new ATOM 0 HG21 VAL A 115 17.392 -5.863 -26.093 1.00 0.00 H new ATOM 0 HG22 VAL A 115 15.710 -6.389 -26.339 1.00 0.00 H new ATOM 0 HG23 VAL A 115 16.450 -5.220 -27.459 1.00 0.00 H new ATOM 1729 N ARG A 116 13.983 -1.661 -25.181 1.00 0.00 N ATOM 1730 CA ARG A 116 13.326 -0.649 -24.325 1.00 0.00 C ATOM 1731 C ARG A 116 11.807 -0.839 -24.234 1.00 0.00 C ATOM 1732 O ARG A 116 11.244 -0.795 -23.151 1.00 0.00 O ATOM 1733 CB ARG A 116 13.758 0.757 -24.796 1.00 0.00 C ATOM 1734 CG ARG A 116 13.020 1.303 -26.025 1.00 0.00 C ATOM 1735 CD ARG A 116 13.565 2.663 -26.466 1.00 0.00 C ATOM 1736 NE ARG A 116 12.863 3.117 -27.686 1.00 0.00 N ATOM 1737 CZ ARG A 116 13.140 4.184 -28.412 1.00 0.00 C ATOM 1738 NH1 ARG A 116 14.115 4.980 -28.112 1.00 0.00 N ATOM 1739 NH2 ARG A 116 12.456 4.463 -29.480 1.00 0.00 N ATOM 0 H ARG A 116 14.559 -1.259 -25.921 1.00 0.00 H new ATOM 0 HA ARG A 116 13.659 -0.777 -23.295 1.00 0.00 H new ATOM 0 HB2 ARG A 116 13.618 1.455 -23.971 1.00 0.00 H new ATOM 0 HB3 ARG A 116 14.825 0.734 -25.016 1.00 0.00 H new ATOM 0 HG2 ARG A 116 13.111 0.593 -26.847 1.00 0.00 H new ATOM 0 HG3 ARG A 116 11.958 1.395 -25.798 1.00 0.00 H new ATOM 0 HD2 ARG A 116 13.433 3.393 -25.668 1.00 0.00 H new ATOM 0 HD3 ARG A 116 14.635 2.590 -26.658 1.00 0.00 H new ATOM 0 HE ARG A 116 12.080 2.544 -28.000 1.00 0.00 H new ATOM 0 HH11 ARG A 116 14.695 4.791 -27.294 1.00 0.00 H new ATOM 0 HH12 ARG A 116 14.304 5.797 -28.693 1.00 0.00 H new ATOM 0 HH21 ARG A 116 11.691 3.853 -29.769 1.00 0.00 H new ATOM 0 HH22 ARG A 116 12.684 5.292 -30.029 1.00 0.00 H new ATOM 1753 N GLY A 117 11.166 -1.180 -25.352 1.00 0.00 N ATOM 1754 CA GLY A 117 9.724 -1.451 -25.410 1.00 0.00 C ATOM 1755 C GLY A 117 9.329 -2.769 -24.741 1.00 0.00 C ATOM 1756 O GLY A 117 8.289 -2.827 -24.093 1.00 0.00 O ATOM 0 H GLY A 117 11.635 -1.278 -26.253 1.00 0.00 H new ATOM 0 HA2 GLY A 117 9.188 -0.633 -24.929 1.00 0.00 H new ATOM 0 HA3 GLY A 117 9.407 -1.471 -26.453 1.00 0.00 H new ATOM 1760 N GLN A 118 10.194 -3.794 -24.790 1.00 0.00 N ATOM 1761 CA GLN A 118 9.935 -5.089 -24.138 1.00 0.00 C ATOM 1762 C GLN A 118 10.027 -4.945 -22.619 1.00 0.00 C ATOM 1763 O GLN A 118 9.181 -5.440 -21.881 1.00 0.00 O ATOM 1764 CB GLN A 118 10.898 -6.188 -24.651 1.00 0.00 C ATOM 1765 CG GLN A 118 11.105 -6.266 -26.174 1.00 0.00 C ATOM 1766 CD GLN A 118 9.841 -6.077 -27.011 1.00 0.00 C ATOM 1767 OE1 GLN A 118 8.885 -6.835 -26.927 1.00 0.00 O ATOM 1768 NE2 GLN A 118 9.796 -5.062 -27.853 1.00 0.00 N ATOM 0 H GLN A 118 11.088 -3.750 -25.279 1.00 0.00 H new ATOM 0 HA GLN A 118 8.923 -5.400 -24.397 1.00 0.00 H new ATOM 0 HB2 GLN A 118 11.870 -6.035 -24.182 1.00 0.00 H new ATOM 0 HB3 GLN A 118 10.527 -7.154 -24.308 1.00 0.00 H new ATOM 0 HG2 GLN A 118 11.832 -5.508 -26.465 1.00 0.00 H new ATOM 0 HG3 GLN A 118 11.541 -7.235 -26.417 1.00 0.00 H new ATOM 0 HE21 GLN A 118 10.590 -4.426 -27.928 1.00 0.00 H new ATOM 0 HE22 GLN A 118 8.967 -4.913 -28.429 1.00 0.00 H new ATOM 1777 N VAL A 119 11.015 -4.176 -22.153 1.00 0.00 N ATOM 1778 CA VAL A 119 11.138 -3.749 -20.748 1.00 0.00 C ATOM 1779 C VAL A 119 9.914 -2.934 -20.322 1.00 0.00 C ATOM 1780 O VAL A 119 9.277 -3.289 -19.338 1.00 0.00 O ATOM 1781 CB VAL A 119 12.437 -2.948 -20.561 1.00 0.00 C ATOM 1782 CG1 VAL A 119 12.573 -2.377 -19.151 1.00 0.00 C ATOM 1783 CG2 VAL A 119 13.676 -3.822 -20.800 1.00 0.00 C ATOM 0 H VAL A 119 11.766 -3.825 -22.747 1.00 0.00 H new ATOM 0 HA VAL A 119 11.182 -4.631 -20.109 1.00 0.00 H new ATOM 0 HB VAL A 119 12.379 -2.140 -21.290 1.00 0.00 H new ATOM 0 HG11 VAL A 119 13.507 -1.821 -19.072 1.00 0.00 H new ATOM 0 HG12 VAL A 119 11.735 -1.711 -18.946 1.00 0.00 H new ATOM 0 HG13 VAL A 119 12.574 -3.192 -18.427 1.00 0.00 H new ATOM 0 HG21 VAL A 119 14.576 -3.224 -20.659 1.00 0.00 H new ATOM 0 HG22 VAL A 119 13.678 -4.652 -20.093 1.00 0.00 H new ATOM 0 HG23 VAL A 119 13.655 -4.212 -21.818 1.00 0.00 H new ATOM 1793 N LYS A 120 9.543 -1.886 -21.073 1.00 0.00 N ATOM 1794 CA LYS A 120 8.382 -1.015 -20.798 1.00 0.00 C ATOM 1795 C LYS A 120 7.085 -1.797 -20.679 1.00 0.00 C ATOM 1796 O LYS A 120 6.398 -1.608 -19.692 1.00 0.00 O ATOM 1797 CB LYS A 120 8.308 0.067 -21.891 1.00 0.00 C ATOM 1798 CG LYS A 120 7.216 1.125 -21.652 1.00 0.00 C ATOM 1799 CD LYS A 120 5.893 0.850 -22.389 1.00 0.00 C ATOM 1800 CE LYS A 120 4.954 2.056 -22.225 1.00 0.00 C ATOM 1801 NZ LYS A 120 3.653 1.850 -22.920 1.00 0.00 N ATOM 0 H LYS A 120 10.054 -1.611 -21.912 1.00 0.00 H new ATOM 0 HA LYS A 120 8.520 -0.538 -19.827 1.00 0.00 H new ATOM 0 HB2 LYS A 120 9.274 0.566 -21.959 1.00 0.00 H new ATOM 0 HB3 LYS A 120 8.129 -0.414 -22.853 1.00 0.00 H new ATOM 0 HG2 LYS A 120 7.016 1.188 -20.582 1.00 0.00 H new ATOM 0 HG3 LYS A 120 7.596 2.098 -21.963 1.00 0.00 H new ATOM 0 HD2 LYS A 120 6.085 0.666 -23.446 1.00 0.00 H new ATOM 0 HD3 LYS A 120 5.422 -0.048 -21.990 1.00 0.00 H new ATOM 0 HE2 LYS A 120 4.774 2.234 -21.165 1.00 0.00 H new ATOM 0 HE3 LYS A 120 5.439 2.949 -22.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 3.112 2.738 -22.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 3.827 1.556 -23.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 3.110 1.112 -22.429 1.00 0.00 H new ATOM 1815 N GLU A 121 6.743 -2.699 -21.598 1.00 0.00 N ATOM 1816 CA GLU A 121 5.464 -3.434 -21.496 1.00 0.00 C ATOM 1817 C GLU A 121 5.446 -4.424 -20.319 1.00 0.00 C ATOM 1818 O GLU A 121 4.403 -4.651 -19.705 1.00 0.00 O ATOM 1819 CB GLU A 121 5.082 -4.095 -22.830 1.00 0.00 C ATOM 1820 CG GLU A 121 5.943 -5.294 -23.240 1.00 0.00 C ATOM 1821 CD GLU A 121 5.423 -5.906 -24.557 1.00 0.00 C ATOM 1822 OE1 GLU A 121 5.622 -5.307 -25.642 1.00 0.00 O ATOM 1823 OE2 GLU A 121 4.794 -6.992 -24.516 1.00 0.00 O ATOM 0 H GLU A 121 7.313 -2.941 -22.408 1.00 0.00 H new ATOM 0 HA GLU A 121 4.691 -2.697 -21.277 1.00 0.00 H new ATOM 0 HB2 GLU A 121 4.043 -4.419 -22.771 1.00 0.00 H new ATOM 0 HB3 GLU A 121 5.137 -3.343 -23.617 1.00 0.00 H new ATOM 0 HG2 GLU A 121 6.980 -4.980 -23.362 1.00 0.00 H new ATOM 0 HG3 GLU A 121 5.928 -6.046 -22.452 1.00 0.00 H new ATOM 1830 N ARG A 122 6.618 -4.949 -19.935 1.00 0.00 N ATOM 1831 CA ARG A 122 6.774 -5.803 -18.749 1.00 0.00 C ATOM 1832 C ARG A 122 6.646 -5.004 -17.451 1.00 0.00 C ATOM 1833 O ARG A 122 5.833 -5.369 -16.601 1.00 0.00 O ATOM 1834 CB ARG A 122 8.075 -6.614 -18.859 1.00 0.00 C ATOM 1835 CG ARG A 122 7.940 -7.693 -19.945 1.00 0.00 C ATOM 1836 CD ARG A 122 9.279 -8.381 -20.227 1.00 0.00 C ATOM 1837 NE ARG A 122 9.106 -9.550 -21.120 1.00 0.00 N ATOM 1838 CZ ARG A 122 8.677 -10.766 -20.813 1.00 0.00 C ATOM 1839 NH1 ARG A 122 8.354 -11.112 -19.597 1.00 0.00 N ATOM 1840 NH2 ARG A 122 8.573 -11.672 -21.736 1.00 0.00 N ATOM 0 H ARG A 122 7.489 -4.792 -20.441 1.00 0.00 H new ATOM 0 HA ARG A 122 5.955 -6.521 -18.712 1.00 0.00 H new ATOM 0 HB2 ARG A 122 8.906 -5.950 -19.097 1.00 0.00 H new ATOM 0 HB3 ARG A 122 8.304 -7.080 -17.900 1.00 0.00 H new ATOM 0 HG2 ARG A 122 7.208 -8.437 -19.631 1.00 0.00 H new ATOM 0 HG3 ARG A 122 7.562 -7.241 -20.862 1.00 0.00 H new ATOM 0 HD2 ARG A 122 9.966 -7.670 -20.685 1.00 0.00 H new ATOM 0 HD3 ARG A 122 9.730 -8.702 -19.288 1.00 0.00 H new ATOM 0 HE ARG A 122 9.349 -9.400 -22.099 1.00 0.00 H new ATOM 0 HH11 ARG A 122 8.427 -10.435 -18.838 1.00 0.00 H new ATOM 0 HH12 ARG A 122 8.028 -12.060 -19.406 1.00 0.00 H new ATOM 0 HH21 ARG A 122 8.822 -11.449 -22.700 1.00 0.00 H new ATOM 0 HH22 ARG A 122 8.243 -12.607 -21.498 1.00 0.00 H new ATOM 1854 N VAL A 123 7.325 -3.857 -17.325 1.00 0.00 N ATOM 1855 CA VAL A 123 7.078 -2.945 -16.186 1.00 0.00 C ATOM 1856 C VAL A 123 5.650 -2.394 -16.163 1.00 0.00 C ATOM 1857 O VAL A 123 5.077 -2.284 -15.085 1.00 0.00 O ATOM 1858 CB VAL A 123 8.115 -1.819 -16.066 1.00 0.00 C ATOM 1859 CG1 VAL A 123 9.519 -2.385 -15.839 1.00 0.00 C ATOM 1860 CG2 VAL A 123 8.171 -0.834 -17.208 1.00 0.00 C ATOM 0 H VAL A 123 8.038 -3.537 -17.981 1.00 0.00 H new ATOM 0 HA VAL A 123 7.197 -3.569 -15.300 1.00 0.00 H new ATOM 0 HB VAL A 123 7.764 -1.253 -15.203 1.00 0.00 H new ATOM 0 HG11 VAL A 123 10.233 -1.565 -15.758 1.00 0.00 H new ATOM 0 HG12 VAL A 123 9.531 -2.969 -14.919 1.00 0.00 H new ATOM 0 HG13 VAL A 123 9.794 -3.024 -16.678 1.00 0.00 H new ATOM 0 HG21 VAL A 123 8.940 -0.088 -17.008 1.00 0.00 H new ATOM 0 HG22 VAL A 123 8.408 -1.361 -18.132 1.00 0.00 H new ATOM 0 HG23 VAL A 123 7.205 -0.340 -17.310 1.00 0.00 H new ATOM 1870 N GLU A 124 5.023 -2.123 -17.310 1.00 0.00 N ATOM 1871 CA GLU A 124 3.637 -1.678 -17.380 1.00 0.00 C ATOM 1872 C GLU A 124 2.681 -2.733 -16.808 1.00 0.00 C ATOM 1873 O GLU A 124 1.848 -2.397 -15.965 1.00 0.00 O ATOM 1874 CB GLU A 124 3.283 -1.355 -18.841 1.00 0.00 C ATOM 1875 CG GLU A 124 2.177 -0.316 -18.892 1.00 0.00 C ATOM 1876 CD GLU A 124 1.547 -0.244 -20.294 1.00 0.00 C ATOM 1877 OE1 GLU A 124 2.228 0.204 -21.247 1.00 0.00 O ATOM 1878 OE2 GLU A 124 0.365 -0.634 -20.454 1.00 0.00 O ATOM 0 H GLU A 124 5.471 -2.208 -18.222 1.00 0.00 H new ATOM 0 HA GLU A 124 3.525 -0.780 -16.773 1.00 0.00 H new ATOM 0 HB2 GLU A 124 4.165 -0.985 -19.364 1.00 0.00 H new ATOM 0 HB3 GLU A 124 2.965 -2.262 -19.355 1.00 0.00 H new ATOM 0 HG2 GLU A 124 1.410 -0.561 -18.158 1.00 0.00 H new ATOM 0 HG3 GLU A 124 2.578 0.660 -18.620 1.00 0.00 H new ATOM 1885 N ASN A 125 2.846 -4.014 -17.183 1.00 0.00 N ATOM 1886 CA ASN A 125 2.029 -5.099 -16.625 1.00 0.00 C ATOM 1887 C ASN A 125 2.261 -5.243 -15.113 1.00 0.00 C ATOM 1888 O ASN A 125 1.301 -5.384 -14.354 1.00 0.00 O ATOM 1889 CB ASN A 125 2.190 -6.407 -17.445 1.00 0.00 C ATOM 1890 CG ASN A 125 3.128 -7.479 -16.885 1.00 0.00 C ATOM 1891 OD1 ASN A 125 3.044 -7.902 -15.738 1.00 0.00 O ATOM 1892 ND2 ASN A 125 4.010 -8.016 -17.693 1.00 0.00 N ATOM 0 H ASN A 125 3.537 -4.320 -17.869 1.00 0.00 H new ATOM 0 HA ASN A 125 0.974 -4.842 -16.724 1.00 0.00 H new ATOM 0 HB2 ASN A 125 1.203 -6.853 -17.565 1.00 0.00 H new ATOM 0 HB3 ASN A 125 2.542 -6.139 -18.441 1.00 0.00 H new ATOM 0 HD21 ASN A 125 4.610 -8.772 -17.363 1.00 0.00 H new ATOM 0 HD22 ASN A 125 4.096 -7.678 -18.652 1.00 0.00 H new ATOM 1899 N LEU A 126 3.519 -5.119 -14.667 1.00 0.00 N ATOM 1900 CA LEU A 126 3.888 -5.163 -13.253 1.00 0.00 C ATOM 1901 C LEU A 126 3.185 -4.065 -12.466 1.00 0.00 C ATOM 1902 O LEU A 126 2.583 -4.341 -11.437 1.00 0.00 O ATOM 1903 CB LEU A 126 5.424 -5.107 -13.136 1.00 0.00 C ATOM 1904 CG LEU A 126 6.058 -5.178 -11.733 1.00 0.00 C ATOM 1905 CD1 LEU A 126 6.055 -3.842 -10.989 1.00 0.00 C ATOM 1906 CD2 LEU A 126 5.431 -6.243 -10.837 1.00 0.00 C ATOM 0 H LEU A 126 4.316 -4.984 -15.289 1.00 0.00 H new ATOM 0 HA LEU A 126 3.552 -6.099 -12.808 1.00 0.00 H new ATOM 0 HB2 LEU A 126 5.831 -5.928 -13.726 1.00 0.00 H new ATOM 0 HB3 LEU A 126 5.759 -4.181 -13.604 1.00 0.00 H new ATOM 0 HG LEU A 126 7.092 -5.457 -11.938 1.00 0.00 H new ATOM 0 HD11 LEU A 126 6.517 -3.970 -10.010 1.00 0.00 H new ATOM 0 HD12 LEU A 126 6.618 -3.105 -11.562 1.00 0.00 H new ATOM 0 HD13 LEU A 126 5.028 -3.498 -10.864 1.00 0.00 H new ATOM 0 HD21 LEU A 126 5.925 -6.238 -9.865 1.00 0.00 H new ATOM 0 HD22 LEU A 126 4.370 -6.030 -10.706 1.00 0.00 H new ATOM 0 HD23 LEU A 126 5.549 -7.223 -11.299 1.00 0.00 H new ATOM 1918 N ILE A 127 3.225 -2.825 -12.945 1.00 0.00 N ATOM 1919 CA ILE A 127 2.667 -1.693 -12.205 1.00 0.00 C ATOM 1920 C ILE A 127 1.135 -1.741 -12.226 1.00 0.00 C ATOM 1921 O ILE A 127 0.505 -1.590 -11.179 1.00 0.00 O ATOM 1922 CB ILE A 127 3.233 -0.381 -12.785 1.00 0.00 C ATOM 1923 CG1 ILE A 127 4.762 -0.295 -12.548 1.00 0.00 C ATOM 1924 CG2 ILE A 127 2.560 0.867 -12.181 1.00 0.00 C ATOM 1925 CD1 ILE A 127 5.480 0.608 -13.555 1.00 0.00 C ATOM 0 H ILE A 127 3.638 -2.576 -13.844 1.00 0.00 H new ATOM 0 HA ILE A 127 2.961 -1.747 -11.157 1.00 0.00 H new ATOM 0 HB ILE A 127 3.021 -0.398 -13.854 1.00 0.00 H new ATOM 0 HG12 ILE A 127 4.946 0.077 -11.540 1.00 0.00 H new ATOM 0 HG13 ILE A 127 5.188 -1.297 -12.600 1.00 0.00 H new ATOM 0 HG21 ILE A 127 2.994 1.764 -12.622 1.00 0.00 H new ATOM 0 HG22 ILE A 127 1.491 0.841 -12.390 1.00 0.00 H new ATOM 0 HG23 ILE A 127 2.719 0.880 -11.103 1.00 0.00 H new ATOM 0 HD11 ILE A 127 6.547 0.624 -13.333 1.00 0.00 H new ATOM 0 HD12 ILE A 127 5.325 0.224 -14.563 1.00 0.00 H new ATOM 0 HD13 ILE A 127 5.080 1.620 -13.487 1.00 0.00 H new ATOM 1937 N ALA A 128 0.528 -2.020 -13.384 1.00 0.00 N ATOM 1938 CA ALA A 128 -0.928 -2.019 -13.557 1.00 0.00 C ATOM 1939 C ALA A 128 -1.649 -3.083 -12.710 1.00 0.00 C ATOM 1940 O ALA A 128 -2.788 -2.860 -12.287 1.00 0.00 O ATOM 1941 CB ALA A 128 -1.235 -2.194 -15.049 1.00 0.00 C ATOM 0 H ALA A 128 1.038 -2.255 -14.235 1.00 0.00 H new ATOM 0 HA ALA A 128 -1.312 -1.065 -13.196 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -2.314 -2.196 -15.201 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -0.791 -1.372 -15.611 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -0.818 -3.139 -15.398 1.00 0.00 H new ATOM 1947 N LYS A 129 -0.984 -4.213 -12.423 1.00 0.00 N ATOM 1948 CA LYS A 129 -1.528 -5.296 -11.585 1.00 0.00 C ATOM 1949 C LYS A 129 -1.289 -5.122 -10.074 1.00 0.00 C ATOM 1950 O LYS A 129 -1.934 -5.833 -9.301 1.00 0.00 O ATOM 1951 CB LYS A 129 -1.081 -6.667 -12.128 1.00 0.00 C ATOM 1952 CG LYS A 129 0.352 -7.063 -11.746 1.00 0.00 C ATOM 1953 CD LYS A 129 0.843 -8.213 -12.631 1.00 0.00 C ATOM 1954 CE LYS A 129 2.284 -8.578 -12.263 1.00 0.00 C ATOM 1955 NZ LYS A 129 2.908 -9.422 -13.316 1.00 0.00 N ATOM 0 H LYS A 129 -0.044 -4.404 -12.769 1.00 0.00 H new ATOM 0 HA LYS A 129 -2.614 -5.240 -11.665 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -1.766 -7.431 -11.761 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -1.165 -6.659 -13.215 1.00 0.00 H new ATOM 0 HG2 LYS A 129 1.014 -6.204 -11.854 1.00 0.00 H new ATOM 0 HG3 LYS A 129 0.386 -7.362 -10.698 1.00 0.00 H new ATOM 0 HD2 LYS A 129 0.196 -9.081 -12.506 1.00 0.00 H new ATOM 0 HD3 LYS A 129 0.789 -7.924 -13.681 1.00 0.00 H new ATOM 0 HE2 LYS A 129 2.869 -7.669 -12.127 1.00 0.00 H new ATOM 0 HE3 LYS A 129 2.296 -9.110 -11.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 3.831 -9.767 -12.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 2.290 -10.232 -13.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 3.040 -8.858 -14.180 1.00 0.00 H new ATOM 1969 N ILE A 130 -0.410 -4.199 -9.645 1.00 0.00 N ATOM 1970 CA ILE A 130 -0.097 -3.996 -8.206 1.00 0.00 C ATOM 1971 C ILE A 130 -0.506 -2.630 -7.631 1.00 0.00 C ATOM 1972 O ILE A 130 -0.591 -2.499 -6.406 1.00 0.00 O ATOM 1973 CB ILE A 130 1.376 -4.330 -7.880 1.00 0.00 C ATOM 1974 CG1 ILE A 130 2.363 -3.221 -8.305 1.00 0.00 C ATOM 1975 CG2 ILE A 130 1.741 -5.709 -8.447 1.00 0.00 C ATOM 1976 CD1 ILE A 130 3.828 -3.549 -7.996 1.00 0.00 C ATOM 0 H ILE A 130 0.101 -3.577 -10.271 1.00 0.00 H new ATOM 0 HA ILE A 130 -0.736 -4.714 -7.692 1.00 0.00 H new ATOM 0 HB ILE A 130 1.473 -4.376 -6.795 1.00 0.00 H new ATOM 0 HG12 ILE A 130 2.258 -3.044 -9.375 1.00 0.00 H new ATOM 0 HG13 ILE A 130 2.093 -2.294 -7.800 1.00 0.00 H new ATOM 0 HG21 ILE A 130 2.781 -5.935 -8.212 1.00 0.00 H new ATOM 0 HG22 ILE A 130 1.096 -6.467 -8.004 1.00 0.00 H new ATOM 0 HG23 ILE A 130 1.606 -5.705 -9.529 1.00 0.00 H new ATOM 0 HD11 ILE A 130 4.462 -2.725 -8.322 1.00 0.00 H new ATOM 0 HD12 ILE A 130 3.949 -3.697 -6.923 1.00 0.00 H new ATOM 0 HD13 ILE A 130 4.116 -4.459 -8.523 1.00 0.00 H new ATOM 1988 N SER A 131 -0.751 -1.625 -8.480 1.00 0.00 N ATOM 1989 CA SER A 131 -1.182 -0.271 -8.073 1.00 0.00 C ATOM 1990 C SER A 131 -2.537 -0.262 -7.351 1.00 0.00 C ATOM 1991 O SER A 131 -2.636 0.393 -6.287 1.00 0.00 O ATOM 1992 CB SER A 131 -1.255 0.667 -9.273 1.00 0.00 C ATOM 1993 OG SER A 131 0.017 0.771 -9.880 1.00 0.00 O ATOM 1994 OXT SER A 131 -3.505 -0.885 -7.850 1.00 0.00 O ATOM 0 H SER A 131 -0.655 -1.726 -9.490 1.00 0.00 H new ATOM 0 HA SER A 131 -0.425 0.079 -7.371 1.00 0.00 H new ATOM 0 HB2 SER A 131 -1.982 0.293 -9.994 1.00 0.00 H new ATOM 0 HB3 SER A 131 -1.598 1.652 -8.956 1.00 0.00 H new ATOM 0 HG SER A 131 0.216 -0.056 -10.367 1.00 0.00 H new