USER MOD reduce.3.24.130724 H: found=0, std=0, add=995, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 992 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 16 GLN : amide:sc= 1.13 K(o=7.5,f=-6.1!) USER MOD Set 1.2: A 23 LYS NZ :NH3+ -179:sc= 2.37 (180deg=1.23) USER MOD Set 1.3: A 40 SER OG : rot 180:sc= 0.761 USER MOD Set 1.4: A 60 GLN : amide:sc= 2.32 K(o=7.5,f=-6.3!) USER MOD Set 1.5: A 62 SER OG : rot 158:sc= 0.941 USER MOD Set 2.1: A 11 ASN : amide:sc= 0.0976 K(o=0.27,f=-1.9) USER MOD Set 2.2: A 12 SER OG : rot 51:sc= 0.172 USER MOD Set 3.1: A 8 CYS SG : rot 17:sc= -0.126 USER MOD Set 3.2: A 80 CYS SG : rot 180:sc= -0.184 USER MOD Single : A 1 MET CE :methyl 158:sc= 0 (180deg=-0.765) USER MOD Single : A 1 MET N :NH3+ 138:sc= 0.0338 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -173:sc= 1.24 (180deg=1.1) USER MOD Single : A 3 LYS NZ :NH3+ 155:sc= 1.22 (180deg=1.19) USER MOD Single : A 5 MET CE :methyl -164:sc= -0.166 (180deg=-0.602) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 CYS SG : rot -54:sc= 0.976 USER MOD Single : A 15 SER OG : rot 180:sc= 0.0461 USER MOD Single : A 17 MET CE :methyl 162:sc= -0.311 (180deg=-0.692) USER MOD Single : A 24 THR OG1 : rot 83:sc= 0.832 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -51:sc= 1.2 USER MOD Single : A 35 CYS SG : rot 60:sc= 0.575 USER MOD Single : A 39 SER OG : rot 180:sc= 0.00633 USER MOD Single : A 43 HIS : no HD1:sc= -0.461 X(o=-0.46,f=-0.55) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 167:sc= -0.0353 (180deg=-0.0754) USER MOD Single : A 50 MET CE :methyl -163:sc= 0 (180deg=-0.114) USER MOD Single : A 58 SER OG : rot 180:sc= 0.0182 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 2.56 K(o=2.6,f=0.0027) USER MOD Single : A 69 ASN : amide:sc= 0.881 K(o=0.88,f=-0.077) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot -106:sc= 1.28 USER MOD Single : A 82 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.0134 K(o=-0.013,f=-1.3) USER MOD Single : A 92 THR OG1 : rot -43:sc= 0.12 USER MOD Single : A 93 GLN : amide:sc= -0.491 X(o=-0.49,f=-0.41) USER MOD Single : A 100 GLN : amide:sc= 0.573 K(o=0.57,f=-0.69) USER MOD Single : A 107 GLN : amide:sc= 1.76 K(o=1.8,f=-0.12) USER MOD Single : A 108 SER OG : rot 180:sc= 0.295 USER MOD Single : A 114 THR OG1 : rot 70:sc= 1.25 USER MOD Single : A 118 GLN : amide:sc= 0.355 X(o=0.36,f=-0.041) USER MOD Single : A 120 LYS NZ :NH3+ -162:sc= 1.31 (180deg=1.16) USER MOD Single : A 125 ASN : amide:sc= 0.352 X(o=0.35,f=0) USER MOD Single : A 129 LYS NZ :NH3+ -164:sc= 1.32 (180deg=1.14) USER MOD Single : A 131 SER OG : rot 70:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.975 1.912 1.751 1.00 0.00 N ATOM 2 CA MET A 1 3.934 1.698 0.267 1.00 0.00 C ATOM 3 C MET A 1 4.928 0.596 -0.164 1.00 0.00 C ATOM 4 O MET A 1 5.966 0.427 0.473 1.00 0.00 O ATOM 5 CB MET A 1 4.165 3.030 -0.499 1.00 0.00 C ATOM 6 CG MET A 1 3.864 2.954 -2.007 1.00 0.00 C ATOM 7 SD MET A 1 4.040 4.517 -2.921 1.00 0.00 S ATOM 8 CE MET A 1 5.828 4.769 -2.782 1.00 0.00 C ATOM 0 H1 MET A 1 3.943 2.931 1.956 1.00 0.00 H new ATOM 0 H2 MET A 1 3.158 1.444 2.192 1.00 0.00 H new ATOM 0 H3 MET A 1 4.853 1.509 2.136 1.00 0.00 H new ATOM 0 HA MET A 1 2.936 1.349 0.002 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.540 3.804 -0.054 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.201 3.339 -0.362 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.528 2.215 -2.455 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.845 2.589 -2.138 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.165 5.431 -3.580 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.058 5.219 -1.816 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.338 3.810 -2.866 1.00 0.00 H new ATOM 18 N LYS A 2 4.633 -0.154 -1.243 1.00 0.00 N ATOM 19 CA LYS A 2 5.459 -1.275 -1.738 1.00 0.00 C ATOM 20 C LYS A 2 6.742 -0.798 -2.402 1.00 0.00 C ATOM 21 O LYS A 2 6.712 0.174 -3.159 1.00 0.00 O ATOM 22 CB LYS A 2 4.681 -2.137 -2.753 1.00 0.00 C ATOM 23 CG LYS A 2 3.346 -2.721 -2.249 1.00 0.00 C ATOM 24 CD LYS A 2 2.456 -3.140 -3.435 1.00 0.00 C ATOM 25 CE LYS A 2 1.797 -1.940 -4.153 1.00 0.00 C ATOM 26 NZ LYS A 2 0.402 -1.688 -3.678 1.00 0.00 N ATOM 0 H LYS A 2 3.798 0.004 -1.807 1.00 0.00 H new ATOM 0 HA LYS A 2 5.713 -1.868 -0.860 1.00 0.00 H new ATOM 0 HB2 LYS A 2 4.481 -1.532 -3.638 1.00 0.00 H new ATOM 0 HB3 LYS A 2 5.321 -2.961 -3.068 1.00 0.00 H new ATOM 0 HG2 LYS A 2 3.538 -3.582 -1.609 1.00 0.00 H new ATOM 0 HG3 LYS A 2 2.826 -1.981 -1.640 1.00 0.00 H new ATOM 0 HD2 LYS A 2 3.057 -3.700 -4.152 1.00 0.00 H new ATOM 0 HD3 LYS A 2 1.677 -3.814 -3.077 1.00 0.00 H new ATOM 0 HE2 LYS A 2 2.400 -1.047 -3.990 1.00 0.00 H new ATOM 0 HE3 LYS A 2 1.784 -2.125 -5.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -0.038 -0.954 -4.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -0.152 -2.566 -3.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 0.425 -1.369 -2.688 1.00 0.00 H new ATOM 40 N LYS A 3 7.826 -1.553 -2.228 1.00 0.00 N ATOM 41 CA LYS A 3 9.092 -1.365 -2.958 1.00 0.00 C ATOM 42 C LYS A 3 9.374 -2.524 -3.916 1.00 0.00 C ATOM 43 O LYS A 3 9.384 -3.683 -3.512 1.00 0.00 O ATOM 44 CB LYS A 3 10.212 -1.141 -1.935 1.00 0.00 C ATOM 45 CG LYS A 3 11.474 -0.498 -2.536 1.00 0.00 C ATOM 46 CD LYS A 3 12.517 -0.147 -1.461 1.00 0.00 C ATOM 47 CE LYS A 3 11.955 0.821 -0.407 1.00 0.00 C ATOM 48 NZ LYS A 3 13.004 1.257 0.553 1.00 0.00 N ATOM 0 H LYS A 3 7.856 -2.328 -1.565 1.00 0.00 H new ATOM 0 HA LYS A 3 9.026 -0.484 -3.597 1.00 0.00 H new ATOM 0 HB2 LYS A 3 9.838 -0.506 -1.132 1.00 0.00 H new ATOM 0 HB3 LYS A 3 10.480 -2.098 -1.486 1.00 0.00 H new ATOM 0 HG2 LYS A 3 11.918 -1.181 -3.261 1.00 0.00 H new ATOM 0 HG3 LYS A 3 11.196 0.406 -3.078 1.00 0.00 H new ATOM 0 HD2 LYS A 3 12.854 -1.060 -0.971 1.00 0.00 H new ATOM 0 HD3 LYS A 3 13.390 0.301 -1.936 1.00 0.00 H new ATOM 0 HE2 LYS A 3 11.531 1.694 -0.904 1.00 0.00 H new ATOM 0 HE3 LYS A 3 11.143 0.337 0.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 12.742 2.178 0.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 13.091 0.555 1.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 13.914 1.344 0.057 1.00 0.00 H new ATOM 62 N VAL A 4 9.600 -2.182 -5.183 1.00 0.00 N ATOM 63 CA VAL A 4 9.910 -3.108 -6.282 1.00 0.00 C ATOM 64 C VAL A 4 11.425 -3.206 -6.493 1.00 0.00 C ATOM 65 O VAL A 4 12.038 -2.209 -6.865 1.00 0.00 O ATOM 66 CB VAL A 4 9.221 -2.653 -7.588 1.00 0.00 C ATOM 67 CG1 VAL A 4 9.468 -3.647 -8.730 1.00 0.00 C ATOM 68 CG2 VAL A 4 7.699 -2.527 -7.420 1.00 0.00 C ATOM 0 H VAL A 4 9.572 -1.210 -5.490 1.00 0.00 H new ATOM 0 HA VAL A 4 9.530 -4.093 -6.012 1.00 0.00 H new ATOM 0 HB VAL A 4 9.654 -1.681 -7.825 1.00 0.00 H new ATOM 0 HG11 VAL A 4 8.969 -3.295 -9.633 1.00 0.00 H new ATOM 0 HG12 VAL A 4 10.539 -3.729 -8.916 1.00 0.00 H new ATOM 0 HG13 VAL A 4 9.072 -4.624 -8.454 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.254 -2.205 -8.362 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.283 -3.493 -7.134 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.478 -1.793 -6.645 1.00 0.00 H new ATOM 78 N MET A 5 12.041 -4.377 -6.294 1.00 0.00 N ATOM 79 CA MET A 5 13.438 -4.597 -6.709 1.00 0.00 C ATOM 80 C MET A 5 13.488 -5.327 -8.054 1.00 0.00 C ATOM 81 O MET A 5 12.933 -6.418 -8.187 1.00 0.00 O ATOM 82 CB MET A 5 14.291 -5.327 -5.658 1.00 0.00 C ATOM 83 CG MET A 5 15.778 -5.220 -6.042 1.00 0.00 C ATOM 84 SD MET A 5 16.939 -6.120 -4.983 1.00 0.00 S ATOM 85 CE MET A 5 17.122 -4.950 -3.613 1.00 0.00 C ATOM 0 H MET A 5 11.601 -5.184 -5.852 1.00 0.00 H new ATOM 0 HA MET A 5 13.883 -3.608 -6.816 1.00 0.00 H new ATOM 0 HB2 MET A 5 14.126 -4.891 -4.673 1.00 0.00 H new ATOM 0 HB3 MET A 5 13.994 -6.374 -5.596 1.00 0.00 H new ATOM 0 HG2 MET A 5 15.896 -5.580 -7.064 1.00 0.00 H new ATOM 0 HG3 MET A 5 16.058 -4.167 -6.041 1.00 0.00 H new ATOM 0 HE1 MET A 5 18.002 -5.213 -3.025 1.00 0.00 H new ATOM 0 HE2 MET A 5 17.238 -3.941 -4.009 1.00 0.00 H new ATOM 0 HE3 MET A 5 16.237 -4.991 -2.979 1.00 0.00 H new ATOM 95 N PHE A 6 14.202 -4.765 -9.030 1.00 0.00 N ATOM 96 CA PHE A 6 14.528 -5.434 -10.295 1.00 0.00 C ATOM 97 C PHE A 6 15.919 -6.085 -10.212 1.00 0.00 C ATOM 98 O PHE A 6 16.901 -5.383 -9.968 1.00 0.00 O ATOM 99 CB PHE A 6 14.418 -4.413 -11.438 1.00 0.00 C ATOM 100 CG PHE A 6 12.995 -3.964 -11.708 1.00 0.00 C ATOM 101 CD1 PHE A 6 12.109 -4.848 -12.343 1.00 0.00 C ATOM 102 CD2 PHE A 6 12.536 -2.696 -11.306 1.00 0.00 C ATOM 103 CE1 PHE A 6 10.781 -4.469 -12.592 1.00 0.00 C ATOM 104 CE2 PHE A 6 11.208 -2.311 -11.578 1.00 0.00 C ATOM 105 CZ PHE A 6 10.336 -3.185 -12.251 1.00 0.00 C ATOM 0 H PHE A 6 14.577 -3.819 -8.965 1.00 0.00 H new ATOM 0 HA PHE A 6 13.822 -6.240 -10.494 1.00 0.00 H new ATOM 0 HB2 PHE A 6 15.027 -3.542 -11.197 1.00 0.00 H new ATOM 0 HB3 PHE A 6 14.832 -4.850 -12.347 1.00 0.00 H new ATOM 0 HD1 PHE A 6 12.452 -5.827 -12.642 1.00 0.00 H new ATOM 0 HD2 PHE A 6 13.200 -2.019 -10.790 1.00 0.00 H new ATOM 0 HE1 PHE A 6 10.099 -5.171 -13.049 1.00 0.00 H new ATOM 0 HE2 PHE A 6 10.858 -1.338 -11.267 1.00 0.00 H new ATOM 0 HZ PHE A 6 9.334 -2.870 -12.502 1.00 0.00 H new ATOM 115 N VAL A 7 16.026 -7.407 -10.413 1.00 0.00 N ATOM 116 CA VAL A 7 17.285 -8.171 -10.257 1.00 0.00 C ATOM 117 C VAL A 7 17.699 -8.919 -11.525 1.00 0.00 C ATOM 118 O VAL A 7 16.873 -9.538 -12.188 1.00 0.00 O ATOM 119 CB VAL A 7 17.287 -9.099 -9.020 1.00 0.00 C ATOM 120 CG1 VAL A 7 16.990 -8.308 -7.742 1.00 0.00 C ATOM 121 CG2 VAL A 7 16.268 -10.241 -9.090 1.00 0.00 C ATOM 0 H VAL A 7 15.235 -7.987 -10.692 1.00 0.00 H new ATOM 0 HA VAL A 7 18.049 -7.414 -10.079 1.00 0.00 H new ATOM 0 HB VAL A 7 18.288 -9.531 -9.007 1.00 0.00 H new ATOM 0 HG11 VAL A 7 16.997 -8.983 -6.886 1.00 0.00 H new ATOM 0 HG12 VAL A 7 17.751 -7.540 -7.604 1.00 0.00 H new ATOM 0 HG13 VAL A 7 16.010 -7.837 -7.825 1.00 0.00 H new ATOM 0 HG21 VAL A 7 16.335 -10.844 -8.184 1.00 0.00 H new ATOM 0 HG22 VAL A 7 15.263 -9.827 -9.177 1.00 0.00 H new ATOM 0 HG23 VAL A 7 16.480 -10.865 -9.958 1.00 0.00 H new ATOM 131 N CYS A 8 18.989 -8.866 -11.875 1.00 0.00 N ATOM 132 CA CYS A 8 19.542 -9.525 -13.071 1.00 0.00 C ATOM 133 C CYS A 8 21.009 -9.977 -12.865 1.00 0.00 C ATOM 134 O CYS A 8 21.594 -9.718 -11.812 1.00 0.00 O ATOM 135 CB CYS A 8 19.375 -8.546 -14.250 1.00 0.00 C ATOM 136 SG CYS A 8 19.508 -9.407 -15.839 1.00 0.00 S ATOM 0 H CYS A 8 19.689 -8.360 -11.332 1.00 0.00 H new ATOM 0 HA CYS A 8 19.001 -10.448 -13.281 1.00 0.00 H new ATOM 0 HB2 CYS A 8 18.406 -8.051 -14.181 1.00 0.00 H new ATOM 0 HB3 CYS A 8 20.135 -7.767 -14.190 1.00 0.00 H new ATOM 0 HG CYS A 8 19.354 -10.685 -15.655 1.00 0.00 H new ATOM 142 N LYS A 9 21.606 -10.658 -13.855 1.00 0.00 N ATOM 143 CA LYS A 9 23.011 -11.130 -13.827 1.00 0.00 C ATOM 144 C LYS A 9 24.032 -9.986 -13.985 1.00 0.00 C ATOM 145 O LYS A 9 23.691 -8.899 -14.444 1.00 0.00 O ATOM 146 CB LYS A 9 23.214 -12.288 -14.831 1.00 0.00 C ATOM 147 CG LYS A 9 23.006 -11.888 -16.304 1.00 0.00 C ATOM 148 CD LYS A 9 23.525 -12.941 -17.300 1.00 0.00 C ATOM 149 CE LYS A 9 22.844 -14.314 -17.151 1.00 0.00 C ATOM 150 NZ LYS A 9 23.355 -15.290 -18.158 1.00 0.00 N ATOM 0 H LYS A 9 21.121 -10.904 -14.718 1.00 0.00 H new ATOM 0 HA LYS A 9 23.210 -11.532 -12.833 1.00 0.00 H new ATOM 0 HB2 LYS A 9 24.222 -12.685 -14.712 1.00 0.00 H new ATOM 0 HB3 LYS A 9 22.523 -13.094 -14.584 1.00 0.00 H new ATOM 0 HG2 LYS A 9 21.943 -11.722 -16.482 1.00 0.00 H new ATOM 0 HG3 LYS A 9 23.512 -10.941 -16.491 1.00 0.00 H new ATOM 0 HD2 LYS A 9 23.371 -12.576 -18.316 1.00 0.00 H new ATOM 0 HD3 LYS A 9 24.600 -13.060 -17.163 1.00 0.00 H new ATOM 0 HE2 LYS A 9 23.018 -14.701 -16.147 1.00 0.00 H new ATOM 0 HE3 LYS A 9 21.766 -14.201 -17.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 22.876 -16.204 -18.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 23.166 -14.931 -19.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 24.380 -15.416 -18.031 1.00 0.00 H new ATOM 164 N ARG A 10 25.303 -10.257 -13.654 1.00 0.00 N ATOM 165 CA ARG A 10 26.379 -9.249 -13.517 1.00 0.00 C ATOM 166 C ARG A 10 26.549 -8.285 -14.703 1.00 0.00 C ATOM 167 O ARG A 10 26.646 -7.074 -14.524 1.00 0.00 O ATOM 168 CB ARG A 10 27.719 -9.955 -13.222 1.00 0.00 C ATOM 169 CG ARG A 10 28.644 -9.003 -12.455 1.00 0.00 C ATOM 170 CD ARG A 10 30.059 -9.563 -12.292 1.00 0.00 C ATOM 171 NE ARG A 10 30.759 -8.862 -11.199 1.00 0.00 N ATOM 172 CZ ARG A 10 32.049 -8.872 -10.923 1.00 0.00 C ATOM 173 NH1 ARG A 10 32.915 -9.530 -11.641 1.00 0.00 N ATOM 174 NH2 ARG A 10 32.491 -8.211 -9.893 1.00 0.00 N ATOM 0 H ARG A 10 25.625 -11.207 -13.468 1.00 0.00 H new ATOM 0 HA ARG A 10 26.067 -8.617 -12.686 1.00 0.00 H new ATOM 0 HB2 ARG A 10 27.545 -10.858 -12.637 1.00 0.00 H new ATOM 0 HB3 ARG A 10 28.191 -10.265 -14.154 1.00 0.00 H new ATOM 0 HG2 ARG A 10 28.693 -8.049 -12.979 1.00 0.00 H new ATOM 0 HG3 ARG A 10 28.220 -8.805 -11.471 1.00 0.00 H new ATOM 0 HD2 ARG A 10 30.013 -10.631 -12.079 1.00 0.00 H new ATOM 0 HD3 ARG A 10 30.614 -9.447 -13.223 1.00 0.00 H new ATOM 0 HE ARG A 10 30.174 -8.300 -10.581 1.00 0.00 H new ATOM 0 HH11 ARG A 10 32.604 -10.064 -12.452 1.00 0.00 H new ATOM 0 HH12 ARG A 10 33.904 -9.511 -11.392 1.00 0.00 H new ATOM 0 HH21 ARG A 10 31.841 -7.689 -9.305 1.00 0.00 H new ATOM 0 HH22 ARG A 10 33.487 -8.215 -9.674 1.00 0.00 H new ATOM 188 N ASN A 11 26.601 -8.831 -15.922 1.00 0.00 N ATOM 189 CA ASN A 11 26.937 -8.098 -17.155 1.00 0.00 C ATOM 190 C ASN A 11 25.756 -7.327 -17.787 1.00 0.00 C ATOM 191 O ASN A 11 25.940 -6.601 -18.765 1.00 0.00 O ATOM 192 CB ASN A 11 27.565 -9.090 -18.156 1.00 0.00 C ATOM 193 CG ASN A 11 26.600 -10.122 -18.736 1.00 0.00 C ATOM 194 OD1 ASN A 11 25.456 -10.260 -18.325 1.00 0.00 O ATOM 195 ND2 ASN A 11 27.040 -10.891 -19.703 1.00 0.00 N ATOM 0 H ASN A 11 26.407 -9.819 -16.087 1.00 0.00 H new ATOM 0 HA ASN A 11 27.649 -7.317 -16.886 1.00 0.00 H new ATOM 0 HB2 ASN A 11 28.004 -8.524 -18.977 1.00 0.00 H new ATOM 0 HB3 ASN A 11 28.380 -9.616 -17.659 1.00 0.00 H new ATOM 0 HD21 ASN A 11 26.429 -11.600 -20.109 1.00 0.00 H new ATOM 0 HD22 ASN A 11 27.993 -10.780 -20.049 1.00 0.00 H new ATOM 202 N SER A 12 24.545 -7.501 -17.250 1.00 0.00 N ATOM 203 CA SER A 12 23.285 -7.030 -17.835 1.00 0.00 C ATOM 204 C SER A 12 22.847 -5.663 -17.297 1.00 0.00 C ATOM 205 O SER A 12 23.025 -5.375 -16.113 1.00 0.00 O ATOM 206 CB SER A 12 22.225 -8.094 -17.567 1.00 0.00 C ATOM 207 OG SER A 12 22.495 -9.242 -18.359 1.00 0.00 O ATOM 0 H SER A 12 24.410 -7.991 -16.365 1.00 0.00 H new ATOM 0 HA SER A 12 23.426 -6.883 -18.906 1.00 0.00 H new ATOM 0 HB2 SER A 12 22.221 -8.361 -16.510 1.00 0.00 H new ATOM 0 HB3 SER A 12 21.235 -7.703 -17.800 1.00 0.00 H new ATOM 0 HG SER A 12 23.428 -9.515 -18.232 1.00 0.00 H new ATOM 213 N CYS A 13 22.231 -4.832 -18.147 1.00 0.00 N ATOM 214 CA CYS A 13 21.674 -3.522 -17.769 1.00 0.00 C ATOM 215 C CYS A 13 20.143 -3.508 -17.617 1.00 0.00 C ATOM 216 O CYS A 13 19.602 -2.555 -17.060 1.00 0.00 O ATOM 217 CB CYS A 13 22.191 -2.438 -18.736 1.00 0.00 C ATOM 218 SG CYS A 13 21.355 -2.493 -20.351 1.00 0.00 S ATOM 0 H CYS A 13 22.102 -5.053 -19.134 1.00 0.00 H new ATOM 0 HA CYS A 13 22.034 -3.295 -16.765 1.00 0.00 H new ATOM 0 HB2 CYS A 13 22.045 -1.455 -18.288 1.00 0.00 H new ATOM 0 HB3 CYS A 13 23.264 -2.566 -18.881 1.00 0.00 H new ATOM 0 HG CYS A 13 21.443 -3.692 -20.845 1.00 0.00 H new ATOM 224 N ARG A 14 19.405 -4.546 -18.040 1.00 0.00 N ATOM 225 CA ARG A 14 17.927 -4.564 -18.018 1.00 0.00 C ATOM 226 C ARG A 14 17.296 -4.434 -16.632 1.00 0.00 C ATOM 227 O ARG A 14 16.184 -3.945 -16.554 1.00 0.00 O ATOM 228 CB ARG A 14 17.394 -5.760 -18.834 1.00 0.00 C ATOM 229 CG ARG A 14 17.733 -7.138 -18.238 1.00 0.00 C ATOM 230 CD ARG A 14 17.297 -8.213 -19.237 1.00 0.00 C ATOM 231 NE ARG A 14 17.736 -9.563 -18.841 1.00 0.00 N ATOM 232 CZ ARG A 14 18.931 -10.096 -19.005 1.00 0.00 C ATOM 233 NH1 ARG A 14 19.932 -9.416 -19.470 1.00 0.00 N ATOM 234 NH2 ARG A 14 19.142 -11.322 -18.640 1.00 0.00 N ATOM 0 H ARG A 14 19.816 -5.403 -18.410 1.00 0.00 H new ATOM 0 HA ARG A 14 17.600 -3.647 -18.509 1.00 0.00 H new ATOM 0 HB2 ARG A 14 16.311 -5.672 -18.920 1.00 0.00 H new ATOM 0 HB3 ARG A 14 17.800 -5.705 -19.844 1.00 0.00 H new ATOM 0 HG2 ARG A 14 18.802 -7.214 -18.041 1.00 0.00 H new ATOM 0 HG3 ARG A 14 17.222 -7.276 -17.285 1.00 0.00 H new ATOM 0 HD2 ARG A 14 16.211 -8.200 -19.329 1.00 0.00 H new ATOM 0 HD3 ARG A 14 17.703 -7.976 -20.221 1.00 0.00 H new ATOM 0 HE ARG A 14 17.036 -10.152 -18.389 1.00 0.00 H new ATOM 0 HH11 ARG A 14 19.809 -8.435 -19.722 1.00 0.00 H new ATOM 0 HH12 ARG A 14 20.842 -9.862 -19.583 1.00 0.00 H new ATOM 0 HH21 ARG A 14 18.386 -11.869 -18.228 1.00 0.00 H new ATOM 0 HH22 ARG A 14 20.064 -11.740 -18.764 1.00 0.00 H new ATOM 248 N SER A 15 17.984 -4.762 -15.540 1.00 0.00 N ATOM 249 CA SER A 15 17.523 -4.452 -14.168 1.00 0.00 C ATOM 250 C SER A 15 17.555 -2.941 -13.896 1.00 0.00 C ATOM 251 O SER A 15 16.565 -2.365 -13.455 1.00 0.00 O ATOM 252 CB SER A 15 18.407 -5.175 -13.149 1.00 0.00 C ATOM 253 OG SER A 15 19.758 -4.998 -13.544 1.00 0.00 O ATOM 0 H SER A 15 18.879 -5.251 -15.571 1.00 0.00 H new ATOM 0 HA SER A 15 16.492 -4.794 -14.073 1.00 0.00 H new ATOM 0 HB2 SER A 15 18.245 -4.772 -12.149 1.00 0.00 H new ATOM 0 HB3 SER A 15 18.156 -6.235 -13.110 1.00 0.00 H new ATOM 0 HG SER A 15 20.348 -5.451 -12.906 1.00 0.00 H new ATOM 259 N GLN A 16 18.667 -2.292 -14.246 1.00 0.00 N ATOM 260 CA GLN A 16 18.840 -0.832 -14.174 1.00 0.00 C ATOM 261 C GLN A 16 17.869 -0.097 -15.109 1.00 0.00 C ATOM 262 O GLN A 16 17.305 0.930 -14.736 1.00 0.00 O ATOM 263 CB GLN A 16 20.295 -0.470 -14.528 1.00 0.00 C ATOM 264 CG GLN A 16 21.350 -1.050 -13.568 1.00 0.00 C ATOM 265 CD GLN A 16 21.380 -0.364 -12.203 1.00 0.00 C ATOM 266 OE1 GLN A 16 20.826 0.704 -11.998 1.00 0.00 O ATOM 267 NE2 GLN A 16 22.071 -0.933 -11.239 1.00 0.00 N ATOM 0 H GLN A 16 19.495 -2.775 -14.596 1.00 0.00 H new ATOM 0 HA GLN A 16 18.617 -0.513 -13.156 1.00 0.00 H new ATOM 0 HB2 GLN A 16 20.508 -0.822 -15.537 1.00 0.00 H new ATOM 0 HB3 GLN A 16 20.393 0.616 -14.542 1.00 0.00 H new ATOM 0 HG2 GLN A 16 21.155 -2.113 -13.427 1.00 0.00 H new ATOM 0 HG3 GLN A 16 22.334 -0.965 -14.029 1.00 0.00 H new ATOM 0 HE21 GLN A 16 22.536 -1.826 -11.404 1.00 0.00 H new ATOM 0 HE22 GLN A 16 22.141 -0.482 -10.327 1.00 0.00 H new ATOM 276 N MET A 17 17.627 -0.648 -16.305 1.00 0.00 N ATOM 277 CA MET A 17 16.685 -0.090 -17.283 1.00 0.00 C ATOM 278 C MET A 17 15.225 -0.310 -16.873 1.00 0.00 C ATOM 279 O MET A 17 14.409 0.595 -17.022 1.00 0.00 O ATOM 280 CB MET A 17 16.986 -0.671 -18.678 1.00 0.00 C ATOM 281 CG MET A 17 16.472 0.237 -19.797 1.00 0.00 C ATOM 282 SD MET A 17 17.307 1.844 -19.801 1.00 0.00 S ATOM 283 CE MET A 17 15.931 2.965 -19.423 1.00 0.00 C ATOM 0 H MET A 17 18.084 -1.502 -16.624 1.00 0.00 H new ATOM 0 HA MET A 17 16.824 0.991 -17.317 1.00 0.00 H new ATOM 0 HB2 MET A 17 18.061 -0.811 -18.789 1.00 0.00 H new ATOM 0 HB3 MET A 17 16.526 -1.655 -18.769 1.00 0.00 H new ATOM 0 HG2 MET A 17 16.622 -0.252 -20.759 1.00 0.00 H new ATOM 0 HG3 MET A 17 15.399 0.386 -19.679 1.00 0.00 H new ATOM 0 HE1 MET A 17 16.325 3.922 -19.080 1.00 0.00 H new ATOM 0 HE2 MET A 17 15.331 3.120 -20.320 1.00 0.00 H new ATOM 0 HE3 MET A 17 15.310 2.528 -18.642 1.00 0.00 H new ATOM 293 N ALA A 18 14.907 -1.475 -16.294 1.00 0.00 N ATOM 294 CA ALA A 18 13.602 -1.723 -15.665 1.00 0.00 C ATOM 295 C ALA A 18 13.327 -0.714 -14.535 1.00 0.00 C ATOM 296 O ALA A 18 12.257 -0.114 -14.520 1.00 0.00 O ATOM 297 CB ALA A 18 13.529 -3.177 -15.184 1.00 0.00 C ATOM 0 H ALA A 18 15.544 -2.270 -16.248 1.00 0.00 H new ATOM 0 HA ALA A 18 12.814 -1.575 -16.403 1.00 0.00 H new ATOM 0 HB1 ALA A 18 12.560 -3.358 -14.718 1.00 0.00 H new ATOM 0 HB2 ALA A 18 13.654 -3.848 -16.034 1.00 0.00 H new ATOM 0 HB3 ALA A 18 14.321 -3.360 -14.458 1.00 0.00 H new ATOM 303 N GLU A 19 14.307 -0.423 -13.666 1.00 0.00 N ATOM 304 CA GLU A 19 14.198 0.683 -12.699 1.00 0.00 C ATOM 305 C GLU A 19 13.981 2.035 -13.392 1.00 0.00 C ATOM 306 O GLU A 19 13.106 2.777 -12.963 1.00 0.00 O ATOM 307 CB GLU A 19 15.414 0.729 -11.756 1.00 0.00 C ATOM 308 CG GLU A 19 15.415 1.987 -10.866 1.00 0.00 C ATOM 309 CD GLU A 19 16.538 2.026 -9.815 1.00 0.00 C ATOM 310 OE1 GLU A 19 17.399 1.116 -9.787 1.00 0.00 O ATOM 311 OE2 GLU A 19 16.553 2.983 -9.006 1.00 0.00 O ATOM 0 H GLU A 19 15.186 -0.938 -13.612 1.00 0.00 H new ATOM 0 HA GLU A 19 13.314 0.487 -12.093 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.416 -0.160 -11.125 1.00 0.00 H new ATOM 0 HB3 GLU A 19 16.330 0.703 -12.346 1.00 0.00 H new ATOM 0 HG2 GLU A 19 15.501 2.867 -11.503 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.455 2.056 -10.355 1.00 0.00 H new ATOM 318 N GLY A 20 14.706 2.348 -14.470 1.00 0.00 N ATOM 319 CA GLY A 20 14.548 3.607 -15.217 1.00 0.00 C ATOM 320 C GLY A 20 13.121 3.836 -15.721 1.00 0.00 C ATOM 321 O GLY A 20 12.520 4.876 -15.447 1.00 0.00 O ATOM 0 H GLY A 20 15.424 1.734 -14.854 1.00 0.00 H new ATOM 0 HA2 GLY A 20 14.838 4.440 -14.577 1.00 0.00 H new ATOM 0 HA3 GLY A 20 15.230 3.605 -16.067 1.00 0.00 H new ATOM 325 N PHE A 21 12.518 2.843 -16.381 1.00 0.00 N ATOM 326 CA PHE A 21 11.105 2.923 -16.790 1.00 0.00 C ATOM 327 C PHE A 21 10.163 2.939 -15.576 1.00 0.00 C ATOM 328 O PHE A 21 9.243 3.753 -15.512 1.00 0.00 O ATOM 329 CB PHE A 21 10.775 1.782 -17.773 1.00 0.00 C ATOM 330 CG PHE A 21 11.169 2.102 -19.199 1.00 0.00 C ATOM 331 CD1 PHE A 21 10.332 2.917 -19.983 1.00 0.00 C ATOM 332 CD2 PHE A 21 12.372 1.613 -19.739 1.00 0.00 C ATOM 333 CE1 PHE A 21 10.706 3.258 -21.293 1.00 0.00 C ATOM 334 CE2 PHE A 21 12.744 1.951 -21.051 1.00 0.00 C ATOM 335 CZ PHE A 21 11.915 2.781 -21.825 1.00 0.00 C ATOM 0 H PHE A 21 12.982 1.974 -16.645 1.00 0.00 H new ATOM 0 HA PHE A 21 10.946 3.868 -17.309 1.00 0.00 H new ATOM 0 HB2 PHE A 21 11.288 0.875 -17.454 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.706 1.574 -17.735 1.00 0.00 H new ATOM 0 HD1 PHE A 21 9.400 3.281 -19.577 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.011 0.977 -19.144 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.064 3.887 -21.891 1.00 0.00 H new ATOM 0 HE2 PHE A 21 13.667 1.573 -21.465 1.00 0.00 H new ATOM 0 HZ PHE A 21 12.208 3.052 -22.829 1.00 0.00 H new ATOM 345 N ALA A 22 10.405 2.100 -14.568 1.00 0.00 N ATOM 346 CA ALA A 22 9.536 1.978 -13.397 1.00 0.00 C ATOM 347 C ALA A 22 9.524 3.225 -12.502 1.00 0.00 C ATOM 348 O ALA A 22 8.456 3.615 -12.044 1.00 0.00 O ATOM 349 CB ALA A 22 9.968 0.725 -12.641 1.00 0.00 C ATOM 0 H ALA A 22 11.216 1.481 -14.541 1.00 0.00 H new ATOM 0 HA ALA A 22 8.501 1.889 -13.728 1.00 0.00 H new ATOM 0 HB1 ALA A 22 9.342 0.599 -11.758 1.00 0.00 H new ATOM 0 HB2 ALA A 22 9.862 -0.145 -13.289 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.010 0.825 -12.336 1.00 0.00 H new ATOM 355 N LYS A 23 10.653 3.921 -12.324 1.00 0.00 N ATOM 356 CA LYS A 23 10.702 5.191 -11.574 1.00 0.00 C ATOM 357 C LYS A 23 10.065 6.368 -12.331 1.00 0.00 C ATOM 358 O LYS A 23 9.732 7.374 -11.716 1.00 0.00 O ATOM 359 CB LYS A 23 12.142 5.484 -11.101 1.00 0.00 C ATOM 360 CG LYS A 23 13.056 6.067 -12.185 1.00 0.00 C ATOM 361 CD LYS A 23 14.487 6.255 -11.672 1.00 0.00 C ATOM 362 CE LYS A 23 15.271 7.115 -12.671 1.00 0.00 C ATOM 363 NZ LYS A 23 16.727 7.104 -12.372 1.00 0.00 N ATOM 0 H LYS A 23 11.557 3.625 -12.692 1.00 0.00 H new ATOM 0 HA LYS A 23 10.081 5.070 -10.686 1.00 0.00 H new ATOM 0 HB2 LYS A 23 12.102 6.180 -10.263 1.00 0.00 H new ATOM 0 HB3 LYS A 23 12.584 4.560 -10.728 1.00 0.00 H new ATOM 0 HG2 LYS A 23 13.063 5.405 -13.051 1.00 0.00 H new ATOM 0 HG3 LYS A 23 12.660 7.026 -12.520 1.00 0.00 H new ATOM 0 HD2 LYS A 23 14.475 6.733 -10.693 1.00 0.00 H new ATOM 0 HD3 LYS A 23 14.972 5.287 -11.548 1.00 0.00 H new ATOM 0 HE2 LYS A 23 15.103 6.745 -13.682 1.00 0.00 H new ATOM 0 HE3 LYS A 23 14.900 8.139 -12.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 17.226 7.708 -13.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 16.886 7.464 -11.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 17.088 6.131 -12.442 1.00 0.00 H new ATOM 377 N THR A 24 9.863 6.223 -13.648 1.00 0.00 N ATOM 378 CA THR A 24 9.151 7.198 -14.503 1.00 0.00 C ATOM 379 C THR A 24 7.637 6.935 -14.538 1.00 0.00 C ATOM 380 O THR A 24 6.849 7.868 -14.408 1.00 0.00 O ATOM 381 CB THR A 24 9.721 7.196 -15.935 1.00 0.00 C ATOM 382 OG1 THR A 24 11.127 7.347 -15.914 1.00 0.00 O ATOM 383 CG2 THR A 24 9.176 8.351 -16.776 1.00 0.00 C ATOM 0 H THR A 24 10.195 5.409 -14.165 1.00 0.00 H new ATOM 0 HA THR A 24 9.309 8.182 -14.061 1.00 0.00 H new ATOM 0 HB THR A 24 9.425 6.242 -16.370 1.00 0.00 H new ATOM 0 HG1 THR A 24 11.547 6.477 -15.750 1.00 0.00 H new ATOM 0 HG21 THR A 24 9.606 8.307 -17.776 1.00 0.00 H new ATOM 0 HG22 THR A 24 8.091 8.271 -16.844 1.00 0.00 H new ATOM 0 HG23 THR A 24 9.442 9.299 -16.308 1.00 0.00 H new ATOM 391 N LEU A 25 7.218 5.668 -14.693 1.00 0.00 N ATOM 392 CA LEU A 25 5.809 5.280 -14.919 1.00 0.00 C ATOM 393 C LEU A 25 5.071 4.872 -13.634 1.00 0.00 C ATOM 394 O LEU A 25 3.891 5.169 -13.463 1.00 0.00 O ATOM 395 CB LEU A 25 5.768 4.142 -15.962 1.00 0.00 C ATOM 396 CG LEU A 25 6.451 4.484 -17.300 1.00 0.00 C ATOM 397 CD1 LEU A 25 6.430 3.265 -18.216 1.00 0.00 C ATOM 398 CD2 LEU A 25 5.783 5.647 -18.035 1.00 0.00 C ATOM 0 H LEU A 25 7.854 4.871 -14.665 1.00 0.00 H new ATOM 0 HA LEU A 25 5.280 6.158 -15.291 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.247 3.259 -15.538 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.728 3.879 -16.155 1.00 0.00 H new ATOM 0 HG LEU A 25 7.471 4.782 -17.057 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.914 3.512 -19.161 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.963 2.442 -17.739 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.398 2.969 -18.404 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.311 5.838 -18.969 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.745 5.393 -18.250 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.816 6.540 -17.410 1.00 0.00 H new ATOM 410 N GLY A 26 5.793 4.238 -12.708 1.00 0.00 N ATOM 411 CA GLY A 26 5.356 3.931 -11.342 1.00 0.00 C ATOM 412 C GLY A 26 5.639 5.046 -10.338 1.00 0.00 C ATOM 413 O GLY A 26 5.397 4.840 -9.151 1.00 0.00 O ATOM 0 H GLY A 26 6.740 3.910 -12.897 1.00 0.00 H new ATOM 0 HA2 GLY A 26 4.285 3.726 -11.351 1.00 0.00 H new ATOM 0 HA3 GLY A 26 5.852 3.020 -11.008 1.00 0.00 H new ATOM 417 N ALA A 27 6.139 6.207 -10.792 1.00 0.00 N ATOM 418 CA ALA A 27 6.648 7.305 -9.953 1.00 0.00 C ATOM 419 C ALA A 27 5.808 7.643 -8.702 1.00 0.00 C ATOM 420 O ALA A 27 6.352 7.824 -7.611 1.00 0.00 O ATOM 421 CB ALA A 27 6.763 8.553 -10.842 1.00 0.00 C ATOM 0 H ALA A 27 6.202 6.414 -11.789 1.00 0.00 H new ATOM 0 HA ALA A 27 7.606 6.969 -9.555 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.138 9.388 -10.250 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.451 8.352 -11.664 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.782 8.805 -11.244 1.00 0.00 H new ATOM 427 N GLY A 28 4.483 7.717 -8.865 1.00 0.00 N ATOM 428 CA GLY A 28 3.510 8.039 -7.808 1.00 0.00 C ATOM 429 C GLY A 28 2.705 6.837 -7.295 1.00 0.00 C ATOM 430 O GLY A 28 1.619 7.038 -6.745 1.00 0.00 O ATOM 0 H GLY A 28 4.039 7.549 -9.768 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.040 8.490 -6.969 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.816 8.790 -8.187 1.00 0.00 H new ATOM 434 N LYS A 29 3.180 5.600 -7.524 1.00 0.00 N ATOM 435 CA LYS A 29 2.426 4.352 -7.291 1.00 0.00 C ATOM 436 C LYS A 29 3.191 3.362 -6.419 1.00 0.00 C ATOM 437 O LYS A 29 2.599 2.674 -5.591 1.00 0.00 O ATOM 438 CB LYS A 29 2.101 3.687 -8.640 1.00 0.00 C ATOM 439 CG LYS A 29 1.437 4.634 -9.657 1.00 0.00 C ATOM 440 CD LYS A 29 0.970 3.872 -10.907 1.00 0.00 C ATOM 441 CE LYS A 29 0.449 4.802 -12.017 1.00 0.00 C ATOM 442 NZ LYS A 29 -0.844 5.457 -11.663 1.00 0.00 N ATOM 0 H LYS A 29 4.120 5.435 -7.884 1.00 0.00 H new ATOM 0 HA LYS A 29 1.511 4.622 -6.763 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.021 3.294 -9.071 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.442 2.837 -8.466 1.00 0.00 H new ATOM 0 HG2 LYS A 29 0.586 5.131 -9.192 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.142 5.413 -9.946 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.798 3.280 -11.296 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.182 3.173 -10.627 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.196 5.569 -12.222 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.321 4.228 -12.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -1.148 6.071 -12.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.567 4.729 -11.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.720 6.028 -10.803 1.00 0.00 H new ATOM 456 N ILE A 30 4.507 3.292 -6.632 1.00 0.00 N ATOM 457 CA ILE A 30 5.431 2.372 -5.967 1.00 0.00 C ATOM 458 C ILE A 30 6.803 3.010 -5.712 1.00 0.00 C ATOM 459 O ILE A 30 7.159 4.034 -6.291 1.00 0.00 O ATOM 460 CB ILE A 30 5.595 1.060 -6.783 1.00 0.00 C ATOM 461 CG1 ILE A 30 5.837 1.179 -8.308 1.00 0.00 C ATOM 462 CG2 ILE A 30 4.406 0.115 -6.553 1.00 0.00 C ATOM 463 CD1 ILE A 30 7.199 1.774 -8.694 1.00 0.00 C ATOM 0 H ILE A 30 4.977 3.901 -7.301 1.00 0.00 H new ATOM 0 HA ILE A 30 4.992 2.134 -4.998 1.00 0.00 H new ATOM 0 HB ILE A 30 6.529 0.665 -6.383 1.00 0.00 H new ATOM 0 HG12 ILE A 30 5.748 0.189 -8.755 1.00 0.00 H new ATOM 0 HG13 ILE A 30 5.050 1.796 -8.741 1.00 0.00 H new ATOM 0 HG21 ILE A 30 4.547 -0.795 -7.136 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.342 -0.138 -5.495 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.485 0.607 -6.865 1.00 0.00 H new ATOM 0 HD11 ILE A 30 7.281 1.820 -9.780 1.00 0.00 H new ATOM 0 HD12 ILE A 30 7.287 2.779 -8.281 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.996 1.146 -8.296 1.00 0.00 H new ATOM 475 N ALA A 31 7.571 2.382 -4.820 1.00 0.00 N ATOM 476 CA ALA A 31 8.992 2.674 -4.617 1.00 0.00 C ATOM 477 C ALA A 31 9.785 1.668 -5.465 1.00 0.00 C ATOM 478 O ALA A 31 9.294 0.570 -5.727 1.00 0.00 O ATOM 479 CB ALA A 31 9.336 2.618 -3.119 1.00 0.00 C ATOM 0 H ALA A 31 7.219 1.645 -4.209 1.00 0.00 H new ATOM 0 HA ALA A 31 9.253 3.683 -4.938 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.395 2.837 -2.980 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.740 3.355 -2.581 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.118 1.623 -2.732 1.00 0.00 H new ATOM 485 N VAL A 32 10.995 1.996 -5.917 1.00 0.00 N ATOM 486 CA VAL A 32 11.757 1.111 -6.820 1.00 0.00 C ATOM 487 C VAL A 32 13.272 1.211 -6.639 1.00 0.00 C ATOM 488 O VAL A 32 13.814 2.285 -6.382 1.00 0.00 O ATOM 489 CB VAL A 32 11.332 1.334 -8.284 1.00 0.00 C ATOM 490 CG1 VAL A 32 11.579 2.756 -8.789 1.00 0.00 C ATOM 491 CG2 VAL A 32 12.001 0.357 -9.253 1.00 0.00 C ATOM 0 H VAL A 32 11.474 2.864 -5.678 1.00 0.00 H new ATOM 0 HA VAL A 32 11.506 0.088 -6.542 1.00 0.00 H new ATOM 0 HB VAL A 32 10.257 1.154 -8.268 1.00 0.00 H new ATOM 0 HG11 VAL A 32 11.255 2.835 -9.827 1.00 0.00 H new ATOM 0 HG12 VAL A 32 11.016 3.462 -8.178 1.00 0.00 H new ATOM 0 HG13 VAL A 32 12.642 2.986 -8.723 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.663 0.563 -10.269 1.00 0.00 H new ATOM 0 HG22 VAL A 32 13.083 0.476 -9.200 1.00 0.00 H new ATOM 0 HG23 VAL A 32 11.734 -0.664 -8.982 1.00 0.00 H new ATOM 501 N THR A 33 13.942 0.070 -6.813 1.00 0.00 N ATOM 502 CA THR A 33 15.406 -0.086 -6.799 1.00 0.00 C ATOM 503 C THR A 33 15.794 -1.202 -7.776 1.00 0.00 C ATOM 504 O THR A 33 14.959 -2.022 -8.162 1.00 0.00 O ATOM 505 CB THR A 33 15.894 -0.432 -5.376 1.00 0.00 C ATOM 506 OG1 THR A 33 15.285 0.401 -4.408 1.00 0.00 O ATOM 507 CG2 THR A 33 17.402 -0.293 -5.156 1.00 0.00 C ATOM 0 H THR A 33 13.460 -0.814 -6.975 1.00 0.00 H new ATOM 0 HA THR A 33 15.876 0.849 -7.103 1.00 0.00 H new ATOM 0 HB THR A 33 15.617 -1.481 -5.267 1.00 0.00 H new ATOM 0 HG1 THR A 33 15.611 0.159 -3.516 1.00 0.00 H new ATOM 0 HG21 THR A 33 17.646 -0.558 -4.127 1.00 0.00 H new ATOM 0 HG22 THR A 33 17.932 -0.959 -5.837 1.00 0.00 H new ATOM 0 HG23 THR A 33 17.704 0.737 -5.347 1.00 0.00 H new ATOM 515 N SER A 34 17.059 -1.286 -8.169 1.00 0.00 N ATOM 516 CA SER A 34 17.601 -2.420 -8.921 1.00 0.00 C ATOM 517 C SER A 34 18.937 -2.891 -8.350 1.00 0.00 C ATOM 518 O SER A 34 19.648 -2.153 -7.663 1.00 0.00 O ATOM 519 CB SER A 34 17.704 -2.106 -10.414 1.00 0.00 C ATOM 520 OG SER A 34 18.568 -1.023 -10.660 1.00 0.00 O ATOM 0 H SER A 34 17.749 -0.561 -7.974 1.00 0.00 H new ATOM 0 HA SER A 34 16.898 -3.245 -8.811 1.00 0.00 H new ATOM 0 HB2 SER A 34 18.063 -2.986 -10.947 1.00 0.00 H new ATOM 0 HB3 SER A 34 16.713 -1.878 -10.807 1.00 0.00 H new ATOM 0 HG SER A 34 18.314 -0.266 -10.092 1.00 0.00 H new ATOM 526 N CYS A 35 19.246 -4.166 -8.583 1.00 0.00 N ATOM 527 CA CYS A 35 20.424 -4.843 -8.046 1.00 0.00 C ATOM 528 C CYS A 35 20.945 -5.872 -9.061 1.00 0.00 C ATOM 529 O CYS A 35 20.164 -6.535 -9.745 1.00 0.00 O ATOM 530 CB CYS A 35 20.016 -5.465 -6.699 1.00 0.00 C ATOM 531 SG CYS A 35 21.250 -6.667 -6.120 1.00 0.00 S ATOM 0 H CYS A 35 18.668 -4.772 -9.166 1.00 0.00 H new ATOM 0 HA CYS A 35 21.251 -4.154 -7.874 1.00 0.00 H new ATOM 0 HB2 CYS A 35 19.896 -4.678 -5.955 1.00 0.00 H new ATOM 0 HB3 CYS A 35 19.048 -5.956 -6.802 1.00 0.00 H new ATOM 0 HG CYS A 35 22.398 -6.074 -5.973 1.00 0.00 H new ATOM 537 N GLY A 36 22.266 -6.007 -9.168 1.00 0.00 N ATOM 538 CA GLY A 36 22.900 -7.047 -9.975 1.00 0.00 C ATOM 539 C GLY A 36 23.501 -8.154 -9.118 1.00 0.00 C ATOM 540 O GLY A 36 24.150 -7.881 -8.109 1.00 0.00 O ATOM 0 H GLY A 36 22.930 -5.394 -8.694 1.00 0.00 H new ATOM 0 HA2 GLY A 36 22.164 -7.476 -10.655 1.00 0.00 H new ATOM 0 HA3 GLY A 36 23.682 -6.601 -10.590 1.00 0.00 H new ATOM 544 N LEU A 37 23.315 -9.411 -9.519 1.00 0.00 N ATOM 545 CA LEU A 37 24.046 -10.528 -8.922 1.00 0.00 C ATOM 546 C LEU A 37 25.540 -10.300 -9.231 1.00 0.00 C ATOM 547 O LEU A 37 25.922 -10.183 -10.392 1.00 0.00 O ATOM 548 CB LEU A 37 23.529 -11.878 -9.458 1.00 0.00 C ATOM 549 CG LEU A 37 22.035 -12.158 -9.206 1.00 0.00 C ATOM 550 CD1 LEU A 37 21.683 -13.538 -9.757 1.00 0.00 C ATOM 551 CD2 LEU A 37 21.663 -12.118 -7.722 1.00 0.00 C ATOM 0 H LEU A 37 22.663 -9.682 -10.256 1.00 0.00 H new ATOM 0 HA LEU A 37 23.896 -10.569 -7.843 1.00 0.00 H new ATOM 0 HB2 LEU A 37 23.713 -11.918 -10.532 1.00 0.00 H new ATOM 0 HB3 LEU A 37 24.113 -12.678 -9.004 1.00 0.00 H new ATOM 0 HG LEU A 37 21.474 -11.371 -9.710 1.00 0.00 H new ATOM 0 HD11 LEU A 37 20.627 -13.741 -9.581 1.00 0.00 H new ATOM 0 HD12 LEU A 37 21.884 -13.564 -10.828 1.00 0.00 H new ATOM 0 HD13 LEU A 37 22.286 -14.295 -9.256 1.00 0.00 H new ATOM 0 HD21 LEU A 37 20.598 -12.323 -7.608 1.00 0.00 H new ATOM 0 HD22 LEU A 37 22.237 -12.871 -7.183 1.00 0.00 H new ATOM 0 HD23 LEU A 37 21.888 -11.131 -7.317 1.00 0.00 H new ATOM 563 N GLU A 38 26.360 -10.206 -8.181 1.00 0.00 N ATOM 564 CA GLU A 38 27.775 -9.770 -8.210 1.00 0.00 C ATOM 565 C GLU A 38 27.966 -8.292 -8.648 1.00 0.00 C ATOM 566 O GLU A 38 29.020 -7.921 -9.169 1.00 0.00 O ATOM 567 CB GLU A 38 28.679 -10.779 -8.956 1.00 0.00 C ATOM 568 CG GLU A 38 28.610 -12.219 -8.427 1.00 0.00 C ATOM 569 CD GLU A 38 29.148 -12.324 -6.986 1.00 0.00 C ATOM 570 OE1 GLU A 38 30.385 -12.448 -6.805 1.00 0.00 O ATOM 571 OE2 GLU A 38 28.343 -12.282 -6.025 1.00 0.00 O ATOM 0 H GLU A 38 26.049 -10.441 -7.239 1.00 0.00 H new ATOM 0 HA GLU A 38 28.119 -9.776 -7.176 1.00 0.00 H new ATOM 0 HB2 GLU A 38 28.404 -10.781 -10.011 1.00 0.00 H new ATOM 0 HB3 GLU A 38 29.711 -10.434 -8.896 1.00 0.00 H new ATOM 0 HG2 GLU A 38 27.578 -12.568 -8.456 1.00 0.00 H new ATOM 0 HG3 GLU A 38 29.187 -12.874 -9.079 1.00 0.00 H new ATOM 578 N SER A 39 26.967 -7.433 -8.385 1.00 0.00 N ATOM 579 CA SER A 39 26.827 -6.040 -8.868 1.00 0.00 C ATOM 580 C SER A 39 26.520 -5.925 -10.373 1.00 0.00 C ATOM 581 O SER A 39 26.516 -6.918 -11.095 1.00 0.00 O ATOM 582 CB SER A 39 28.021 -5.181 -8.431 1.00 0.00 C ATOM 583 OG SER A 39 27.668 -3.812 -8.480 1.00 0.00 O ATOM 0 H SER A 39 26.183 -7.706 -7.792 1.00 0.00 H new ATOM 0 HA SER A 39 25.938 -5.636 -8.384 1.00 0.00 H new ATOM 0 HB2 SER A 39 28.325 -5.452 -7.420 1.00 0.00 H new ATOM 0 HB3 SER A 39 28.875 -5.370 -9.082 1.00 0.00 H new ATOM 0 HG SER A 39 28.432 -3.267 -8.199 1.00 0.00 H new ATOM 589 N SER A 40 26.192 -4.723 -10.857 1.00 0.00 N ATOM 590 CA SER A 40 25.881 -4.417 -12.271 1.00 0.00 C ATOM 591 C SER A 40 26.200 -2.953 -12.630 1.00 0.00 C ATOM 592 O SER A 40 26.663 -2.189 -11.778 1.00 0.00 O ATOM 593 CB SER A 40 24.413 -4.748 -12.584 1.00 0.00 C ATOM 594 OG SER A 40 23.529 -3.979 -11.773 1.00 0.00 O ATOM 0 H SER A 40 26.131 -3.900 -10.258 1.00 0.00 H new ATOM 0 HA SER A 40 26.522 -5.046 -12.889 1.00 0.00 H new ATOM 0 HB2 SER A 40 24.209 -4.551 -13.637 1.00 0.00 H new ATOM 0 HB3 SER A 40 24.233 -5.810 -12.417 1.00 0.00 H new ATOM 0 HG SER A 40 22.602 -4.207 -11.993 1.00 0.00 H new ATOM 600 N ARG A 41 25.979 -2.550 -13.893 1.00 0.00 N ATOM 601 CA ARG A 41 26.343 -1.210 -14.413 1.00 0.00 C ATOM 602 C ARG A 41 25.289 -0.560 -15.302 1.00 0.00 C ATOM 603 O ARG A 41 24.423 -1.229 -15.858 1.00 0.00 O ATOM 604 CB ARG A 41 27.737 -1.267 -15.091 1.00 0.00 C ATOM 605 CG ARG A 41 27.803 -1.660 -16.584 1.00 0.00 C ATOM 606 CD ARG A 41 27.192 -3.024 -16.942 1.00 0.00 C ATOM 607 NE ARG A 41 27.515 -3.417 -18.330 1.00 0.00 N ATOM 608 CZ ARG A 41 28.605 -4.012 -18.775 1.00 0.00 C ATOM 609 NH1 ARG A 41 29.605 -4.344 -18.002 1.00 0.00 N ATOM 610 NH2 ARG A 41 28.703 -4.286 -20.037 1.00 0.00 N ATOM 0 H ARG A 41 25.539 -3.147 -14.593 1.00 0.00 H new ATOM 0 HA ARG A 41 26.392 -0.547 -13.549 1.00 0.00 H new ATOM 0 HB2 ARG A 41 28.201 -0.287 -14.983 1.00 0.00 H new ATOM 0 HB3 ARG A 41 28.351 -1.973 -14.532 1.00 0.00 H new ATOM 0 HG2 ARG A 41 27.295 -0.891 -17.166 1.00 0.00 H new ATOM 0 HG3 ARG A 41 28.848 -1.657 -16.896 1.00 0.00 H new ATOM 0 HD2 ARG A 41 27.564 -3.782 -16.253 1.00 0.00 H new ATOM 0 HD3 ARG A 41 26.110 -2.983 -16.817 1.00 0.00 H new ATOM 0 HE ARG A 41 26.806 -3.201 -19.031 1.00 0.00 H new ATOM 0 HH11 ARG A 41 29.565 -4.144 -17.003 1.00 0.00 H new ATOM 0 HH12 ARG A 41 30.425 -4.803 -18.398 1.00 0.00 H new ATOM 0 HH21 ARG A 41 27.943 -4.042 -20.672 1.00 0.00 H new ATOM 0 HH22 ARG A 41 29.540 -4.746 -20.396 1.00 0.00 H new ATOM 624 N VAL A 42 25.415 0.759 -15.438 1.00 0.00 N ATOM 625 CA VAL A 42 24.676 1.579 -16.408 1.00 0.00 C ATOM 626 C VAL A 42 25.598 1.914 -17.586 1.00 0.00 C ATOM 627 O VAL A 42 26.813 2.039 -17.415 1.00 0.00 O ATOM 628 CB VAL A 42 24.041 2.826 -15.769 1.00 0.00 C ATOM 629 CG1 VAL A 42 23.007 2.427 -14.714 1.00 0.00 C ATOM 630 CG2 VAL A 42 25.028 3.826 -15.159 1.00 0.00 C ATOM 0 H VAL A 42 26.053 1.307 -14.861 1.00 0.00 H new ATOM 0 HA VAL A 42 23.830 1.003 -16.783 1.00 0.00 H new ATOM 0 HB VAL A 42 23.568 3.345 -16.603 1.00 0.00 H new ATOM 0 HG11 VAL A 42 22.570 3.324 -14.275 1.00 0.00 H new ATOM 0 HG12 VAL A 42 22.222 1.832 -15.181 1.00 0.00 H new ATOM 0 HG13 VAL A 42 23.491 1.840 -13.934 1.00 0.00 H new ATOM 0 HG21 VAL A 42 24.479 4.667 -14.736 1.00 0.00 H new ATOM 0 HG22 VAL A 42 25.603 3.336 -14.373 1.00 0.00 H new ATOM 0 HG23 VAL A 42 25.705 4.187 -15.933 1.00 0.00 H new ATOM 640 N HIS A 43 25.033 2.025 -18.788 1.00 0.00 N ATOM 641 CA HIS A 43 25.787 2.124 -20.046 1.00 0.00 C ATOM 642 C HIS A 43 25.471 3.443 -20.764 1.00 0.00 C ATOM 643 O HIS A 43 24.287 3.738 -20.924 1.00 0.00 O ATOM 644 CB HIS A 43 25.412 0.893 -20.886 1.00 0.00 C ATOM 645 CG HIS A 43 26.095 0.819 -22.225 1.00 0.00 C ATOM 646 ND1 HIS A 43 27.474 0.835 -22.434 1.00 0.00 N ATOM 647 CD2 HIS A 43 25.458 0.684 -23.424 1.00 0.00 C ATOM 648 CE1 HIS A 43 27.644 0.684 -23.758 1.00 0.00 C ATOM 649 NE2 HIS A 43 26.452 0.583 -24.376 1.00 0.00 N ATOM 0 H HIS A 43 24.022 2.049 -18.921 1.00 0.00 H new ATOM 0 HA HIS A 43 26.862 2.134 -19.869 1.00 0.00 H new ATOM 0 HB2 HIS A 43 25.654 -0.006 -20.319 1.00 0.00 H new ATOM 0 HB3 HIS A 43 24.333 0.890 -21.042 1.00 0.00 H new ATOM 0 HD2 HIS A 43 24.392 0.661 -23.594 1.00 0.00 H new ATOM 0 HE1 HIS A 43 28.602 0.649 -24.256 1.00 0.00 H new ATOM 0 HE2 HIS A 43 26.308 0.454 -25.378 1.00 0.00 H new ATOM 657 N PRO A 44 26.454 4.233 -21.250 1.00 0.00 N ATOM 658 CA PRO A 44 26.197 5.534 -21.883 1.00 0.00 C ATOM 659 C PRO A 44 25.189 5.499 -23.040 1.00 0.00 C ATOM 660 O PRO A 44 24.335 6.380 -23.144 1.00 0.00 O ATOM 661 CB PRO A 44 27.567 6.044 -22.342 1.00 0.00 C ATOM 662 CG PRO A 44 28.507 5.436 -21.305 1.00 0.00 C ATOM 663 CD PRO A 44 27.890 4.062 -21.057 1.00 0.00 C ATOM 0 HA PRO A 44 25.720 6.199 -21.163 1.00 0.00 H new ATOM 0 HB2 PRO A 44 27.807 5.712 -23.352 1.00 0.00 H new ATOM 0 HB3 PRO A 44 27.615 7.133 -22.345 1.00 0.00 H new ATOM 0 HG2 PRO A 44 29.528 5.360 -21.679 1.00 0.00 H new ATOM 0 HG3 PRO A 44 28.545 6.033 -20.394 1.00 0.00 H new ATOM 0 HD2 PRO A 44 28.292 3.322 -21.748 1.00 0.00 H new ATOM 0 HD3 PRO A 44 28.110 3.710 -20.049 1.00 0.00 H new ATOM 671 N THR A 45 25.182 4.434 -23.848 1.00 0.00 N ATOM 672 CA THR A 45 24.172 4.261 -24.908 1.00 0.00 C ATOM 673 C THR A 45 22.781 3.979 -24.337 1.00 0.00 C ATOM 674 O THR A 45 21.799 4.491 -24.862 1.00 0.00 O ATOM 675 CB THR A 45 24.604 3.177 -25.910 1.00 0.00 C ATOM 676 OG1 THR A 45 25.915 3.456 -26.363 1.00 0.00 O ATOM 677 CG2 THR A 45 23.705 3.090 -27.135 1.00 0.00 C ATOM 0 H THR A 45 25.863 3.676 -23.792 1.00 0.00 H new ATOM 0 HA THR A 45 24.103 5.206 -25.447 1.00 0.00 H new ATOM 0 HB THR A 45 24.542 2.228 -25.378 1.00 0.00 H new ATOM 0 HG1 THR A 45 26.195 2.766 -27.001 1.00 0.00 H new ATOM 0 HG21 THR A 45 24.069 2.305 -27.798 1.00 0.00 H new ATOM 0 HG22 THR A 45 22.687 2.859 -26.823 1.00 0.00 H new ATOM 0 HG23 THR A 45 23.715 4.044 -27.662 1.00 0.00 H new ATOM 685 N ALA A 46 22.671 3.282 -23.199 1.00 0.00 N ATOM 686 CA ALA A 46 21.402 3.133 -22.475 1.00 0.00 C ATOM 687 C ALA A 46 20.965 4.416 -21.747 1.00 0.00 C ATOM 688 O ALA A 46 19.819 4.515 -21.329 1.00 0.00 O ATOM 689 CB ALA A 46 21.477 1.918 -21.538 1.00 0.00 C ATOM 0 H ALA A 46 23.457 2.807 -22.755 1.00 0.00 H new ATOM 0 HA ALA A 46 20.618 2.953 -23.211 1.00 0.00 H new ATOM 0 HB1 ALA A 46 20.533 1.812 -21.003 1.00 0.00 H new ATOM 0 HB2 ALA A 46 21.665 1.018 -22.123 1.00 0.00 H new ATOM 0 HB3 ALA A 46 22.286 2.061 -20.821 1.00 0.00 H new ATOM 695 N ILE A 47 21.838 5.413 -21.593 1.00 0.00 N ATOM 696 CA ILE A 47 21.409 6.745 -21.149 1.00 0.00 C ATOM 697 C ILE A 47 20.764 7.421 -22.378 1.00 0.00 C ATOM 698 O ILE A 47 19.575 7.736 -22.384 1.00 0.00 O ATOM 699 CB ILE A 47 22.571 7.576 -20.551 1.00 0.00 C ATOM 700 CG1 ILE A 47 23.247 6.827 -19.381 1.00 0.00 C ATOM 701 CG2 ILE A 47 22.028 8.939 -20.099 1.00 0.00 C ATOM 702 CD1 ILE A 47 24.475 7.531 -18.789 1.00 0.00 C ATOM 0 H ILE A 47 22.839 5.327 -21.767 1.00 0.00 H new ATOM 0 HA ILE A 47 20.692 6.668 -20.332 1.00 0.00 H new ATOM 0 HB ILE A 47 23.335 7.729 -21.314 1.00 0.00 H new ATOM 0 HG12 ILE A 47 22.513 6.681 -18.589 1.00 0.00 H new ATOM 0 HG13 ILE A 47 23.545 5.837 -19.726 1.00 0.00 H new ATOM 0 HG21 ILE A 47 22.839 9.532 -19.676 1.00 0.00 H new ATOM 0 HG22 ILE A 47 21.603 9.463 -20.955 1.00 0.00 H new ATOM 0 HG23 ILE A 47 21.255 8.791 -19.344 1.00 0.00 H new ATOM 0 HD11 ILE A 47 24.881 6.931 -17.975 1.00 0.00 H new ATOM 0 HD12 ILE A 47 25.233 7.653 -19.563 1.00 0.00 H new ATOM 0 HD13 ILE A 47 24.185 8.510 -18.408 1.00 0.00 H new ATOM 714 N ALA A 48 21.517 7.538 -23.477 1.00 0.00 N ATOM 715 CA ALA A 48 21.129 8.345 -24.640 1.00 0.00 C ATOM 716 C ALA A 48 19.934 7.782 -25.439 1.00 0.00 C ATOM 717 O ALA A 48 19.070 8.544 -25.868 1.00 0.00 O ATOM 718 CB ALA A 48 22.367 8.514 -25.530 1.00 0.00 C ATOM 0 H ALA A 48 22.418 7.073 -23.586 1.00 0.00 H new ATOM 0 HA ALA A 48 20.773 9.308 -24.274 1.00 0.00 H new ATOM 0 HB1 ALA A 48 22.108 9.111 -26.404 1.00 0.00 H new ATOM 0 HB2 ALA A 48 23.154 9.017 -24.967 1.00 0.00 H new ATOM 0 HB3 ALA A 48 22.720 7.534 -25.852 1.00 0.00 H new ATOM 724 N MET A 49 19.834 6.453 -25.584 1.00 0.00 N ATOM 725 CA MET A 49 18.710 5.780 -26.260 1.00 0.00 C ATOM 726 C MET A 49 17.380 5.881 -25.495 1.00 0.00 C ATOM 727 O MET A 49 16.340 5.485 -26.021 1.00 0.00 O ATOM 728 CB MET A 49 19.053 4.300 -26.513 1.00 0.00 C ATOM 729 CG MET A 49 20.175 4.087 -27.533 1.00 0.00 C ATOM 730 SD MET A 49 19.745 4.502 -29.246 1.00 0.00 S ATOM 731 CE MET A 49 20.591 6.099 -29.408 1.00 0.00 C ATOM 0 H MET A 49 20.539 5.805 -25.232 1.00 0.00 H new ATOM 0 HA MET A 49 18.567 6.304 -27.205 1.00 0.00 H new ATOM 0 HB2 MET A 49 19.341 3.838 -25.569 1.00 0.00 H new ATOM 0 HB3 MET A 49 18.158 3.784 -26.860 1.00 0.00 H new ATOM 0 HG2 MET A 49 21.035 4.687 -27.235 1.00 0.00 H new ATOM 0 HG3 MET A 49 20.486 3.043 -27.495 1.00 0.00 H new ATOM 0 HE1 MET A 49 20.627 6.387 -30.459 1.00 0.00 H new ATOM 0 HE2 MET A 49 20.049 6.857 -28.842 1.00 0.00 H new ATOM 0 HE3 MET A 49 21.606 6.014 -29.020 1.00 0.00 H new ATOM 741 N MET A 50 17.401 6.389 -24.260 1.00 0.00 N ATOM 742 CA MET A 50 16.267 6.361 -23.326 1.00 0.00 C ATOM 743 C MET A 50 15.882 7.769 -22.856 1.00 0.00 C ATOM 744 O MET A 50 14.706 8.032 -22.618 1.00 0.00 O ATOM 745 CB MET A 50 16.604 5.420 -22.160 1.00 0.00 C ATOM 746 CG MET A 50 17.251 4.103 -22.610 1.00 0.00 C ATOM 747 SD MET A 50 16.274 3.030 -23.675 1.00 0.00 S ATOM 748 CE MET A 50 17.465 1.672 -23.861 1.00 0.00 C ATOM 0 H MET A 50 18.227 6.843 -23.870 1.00 0.00 H new ATOM 0 HA MET A 50 15.386 5.975 -23.838 1.00 0.00 H new ATOM 0 HB2 MET A 50 17.278 5.931 -21.473 1.00 0.00 H new ATOM 0 HB3 MET A 50 15.692 5.198 -21.606 1.00 0.00 H new ATOM 0 HG2 MET A 50 18.178 4.342 -23.131 1.00 0.00 H new ATOM 0 HG3 MET A 50 17.523 3.538 -21.718 1.00 0.00 H new ATOM 0 HE1 MET A 50 17.182 1.054 -24.713 1.00 0.00 H new ATOM 0 HE2 MET A 50 18.462 2.082 -24.025 1.00 0.00 H new ATOM 0 HE3 MET A 50 17.467 1.064 -22.957 1.00 0.00 H new ATOM 758 N GLU A 51 16.822 8.719 -22.832 1.00 0.00 N ATOM 759 CA GLU A 51 16.514 10.145 -22.622 1.00 0.00 C ATOM 760 C GLU A 51 15.592 10.702 -23.724 1.00 0.00 C ATOM 761 O GLU A 51 14.781 11.586 -23.461 1.00 0.00 O ATOM 762 CB GLU A 51 17.806 10.971 -22.597 1.00 0.00 C ATOM 763 CG GLU A 51 18.546 10.847 -21.264 1.00 0.00 C ATOM 764 CD GLU A 51 19.739 11.825 -21.213 1.00 0.00 C ATOM 765 OE1 GLU A 51 20.637 11.753 -22.088 1.00 0.00 O ATOM 766 OE2 GLU A 51 19.776 12.691 -20.305 1.00 0.00 O ATOM 0 H GLU A 51 17.816 8.527 -22.957 1.00 0.00 H new ATOM 0 HA GLU A 51 15.998 10.222 -21.665 1.00 0.00 H new ATOM 0 HB2 GLU A 51 18.460 10.644 -23.405 1.00 0.00 H new ATOM 0 HB3 GLU A 51 17.569 12.019 -22.783 1.00 0.00 H new ATOM 0 HG2 GLU A 51 17.862 11.056 -20.441 1.00 0.00 H new ATOM 0 HG3 GLU A 51 18.901 9.825 -21.132 1.00 0.00 H new ATOM 773 N GLU A 52 15.641 10.124 -24.934 1.00 0.00 N ATOM 774 CA GLU A 52 14.731 10.450 -26.050 1.00 0.00 C ATOM 775 C GLU A 52 13.290 9.920 -25.844 1.00 0.00 C ATOM 776 O GLU A 52 12.376 10.277 -26.592 1.00 0.00 O ATOM 777 CB GLU A 52 15.355 10.004 -27.391 1.00 0.00 C ATOM 778 CG GLU A 52 15.650 8.501 -27.482 1.00 0.00 C ATOM 779 CD GLU A 52 16.193 8.099 -28.869 1.00 0.00 C ATOM 780 OE1 GLU A 52 17.227 8.632 -29.333 1.00 0.00 O ATOM 781 OE2 GLU A 52 15.609 7.190 -29.506 1.00 0.00 O ATOM 0 H GLU A 52 16.324 9.405 -25.171 1.00 0.00 H new ATOM 0 HA GLU A 52 14.616 11.534 -26.076 1.00 0.00 H new ATOM 0 HB2 GLU A 52 14.680 10.280 -28.202 1.00 0.00 H new ATOM 0 HB3 GLU A 52 16.283 10.554 -27.547 1.00 0.00 H new ATOM 0 HG2 GLU A 52 16.376 8.227 -26.716 1.00 0.00 H new ATOM 0 HG3 GLU A 52 14.739 7.940 -27.273 1.00 0.00 H new ATOM 788 N VAL A 53 13.085 9.108 -24.798 1.00 0.00 N ATOM 789 CA VAL A 53 11.789 8.633 -24.267 1.00 0.00 C ATOM 790 C VAL A 53 11.436 9.362 -22.945 1.00 0.00 C ATOM 791 O VAL A 53 10.379 9.138 -22.356 1.00 0.00 O ATOM 792 CB VAL A 53 11.828 7.086 -24.136 1.00 0.00 C ATOM 793 CG1 VAL A 53 10.529 6.423 -23.659 1.00 0.00 C ATOM 794 CG2 VAL A 53 12.189 6.441 -25.482 1.00 0.00 C ATOM 0 H VAL A 53 13.869 8.738 -24.261 1.00 0.00 H new ATOM 0 HA VAL A 53 10.983 8.878 -24.959 1.00 0.00 H new ATOM 0 HB VAL A 53 12.581 6.916 -23.367 1.00 0.00 H new ATOM 0 HG11 VAL A 53 10.670 5.344 -23.604 1.00 0.00 H new ATOM 0 HG12 VAL A 53 10.266 6.805 -22.673 1.00 0.00 H new ATOM 0 HG13 VAL A 53 9.726 6.649 -24.361 1.00 0.00 H new ATOM 0 HG21 VAL A 53 12.212 5.357 -25.371 1.00 0.00 H new ATOM 0 HG22 VAL A 53 11.443 6.714 -26.228 1.00 0.00 H new ATOM 0 HG23 VAL A 53 13.169 6.794 -25.803 1.00 0.00 H new ATOM 804 N GLY A 54 12.304 10.271 -22.472 1.00 0.00 N ATOM 805 CA GLY A 54 12.174 10.983 -21.195 1.00 0.00 C ATOM 806 C GLY A 54 12.650 10.188 -19.966 1.00 0.00 C ATOM 807 O GLY A 54 12.334 10.566 -18.836 1.00 0.00 O ATOM 0 H GLY A 54 13.143 10.538 -22.987 1.00 0.00 H new ATOM 0 HA2 GLY A 54 12.742 11.912 -21.253 1.00 0.00 H new ATOM 0 HA3 GLY A 54 11.129 11.257 -21.052 1.00 0.00 H new ATOM 811 N ILE A 55 13.390 9.091 -20.174 1.00 0.00 N ATOM 812 CA ILE A 55 13.862 8.181 -19.117 1.00 0.00 C ATOM 813 C ILE A 55 15.262 8.579 -18.626 1.00 0.00 C ATOM 814 O ILE A 55 16.063 9.141 -19.370 1.00 0.00 O ATOM 815 CB ILE A 55 13.840 6.706 -19.594 1.00 0.00 C ATOM 816 CG1 ILE A 55 12.583 6.326 -20.408 1.00 0.00 C ATOM 817 CG2 ILE A 55 13.989 5.725 -18.420 1.00 0.00 C ATOM 818 CD1 ILE A 55 11.250 6.449 -19.654 1.00 0.00 C ATOM 0 H ILE A 55 13.686 8.802 -21.107 1.00 0.00 H new ATOM 0 HA ILE A 55 13.175 8.270 -18.276 1.00 0.00 H new ATOM 0 HB ILE A 55 14.699 6.624 -20.260 1.00 0.00 H new ATOM 0 HG12 ILE A 55 12.540 6.959 -21.295 1.00 0.00 H new ATOM 0 HG13 ILE A 55 12.692 5.298 -20.755 1.00 0.00 H new ATOM 0 HG21 ILE A 55 13.969 4.702 -18.796 1.00 0.00 H new ATOM 0 HG22 ILE A 55 14.936 5.906 -17.912 1.00 0.00 H new ATOM 0 HG23 ILE A 55 13.168 5.870 -17.718 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.431 6.160 -20.313 1.00 0.00 H new ATOM 0 HD12 ILE A 55 11.263 5.794 -18.783 1.00 0.00 H new ATOM 0 HD13 ILE A 55 11.109 7.480 -19.331 1.00 0.00 H new ATOM 830 N ASP A 56 15.573 8.238 -17.377 1.00 0.00 N ATOM 831 CA ASP A 56 16.877 8.450 -16.736 1.00 0.00 C ATOM 832 C ASP A 56 17.389 7.177 -16.047 1.00 0.00 C ATOM 833 O ASP A 56 16.624 6.485 -15.373 1.00 0.00 O ATOM 834 CB ASP A 56 16.749 9.594 -15.714 1.00 0.00 C ATOM 835 CG ASP A 56 18.010 9.736 -14.845 1.00 0.00 C ATOM 836 OD1 ASP A 56 18.080 9.058 -13.791 1.00 0.00 O ATOM 837 OD2 ASP A 56 18.936 10.480 -15.235 1.00 0.00 O ATOM 0 H ASP A 56 14.900 7.789 -16.756 1.00 0.00 H new ATOM 0 HA ASP A 56 17.603 8.712 -17.506 1.00 0.00 H new ATOM 0 HB2 ASP A 56 16.564 10.531 -16.240 1.00 0.00 H new ATOM 0 HB3 ASP A 56 15.886 9.413 -15.073 1.00 0.00 H new ATOM 842 N ILE A 57 18.693 6.897 -16.173 1.00 0.00 N ATOM 843 CA ILE A 57 19.410 5.861 -15.399 1.00 0.00 C ATOM 844 C ILE A 57 20.772 6.356 -14.871 1.00 0.00 C ATOM 845 O ILE A 57 21.414 5.661 -14.090 1.00 0.00 O ATOM 846 CB ILE A 57 19.565 4.534 -16.184 1.00 0.00 C ATOM 847 CG1 ILE A 57 20.399 4.709 -17.474 1.00 0.00 C ATOM 848 CG2 ILE A 57 18.191 3.906 -16.477 1.00 0.00 C ATOM 849 CD1 ILE A 57 20.754 3.389 -18.168 1.00 0.00 C ATOM 0 H ILE A 57 19.297 7.392 -16.829 1.00 0.00 H new ATOM 0 HA ILE A 57 18.782 5.653 -14.533 1.00 0.00 H new ATOM 0 HB ILE A 57 20.121 3.845 -15.548 1.00 0.00 H new ATOM 0 HG12 ILE A 57 19.844 5.337 -18.171 1.00 0.00 H new ATOM 0 HG13 ILE A 57 21.320 5.239 -17.231 1.00 0.00 H new ATOM 0 HG21 ILE A 57 18.326 2.976 -17.029 1.00 0.00 H new ATOM 0 HG22 ILE A 57 17.678 3.699 -15.538 1.00 0.00 H new ATOM 0 HG23 ILE A 57 17.594 4.597 -17.072 1.00 0.00 H new ATOM 0 HD11 ILE A 57 21.339 3.595 -19.064 1.00 0.00 H new ATOM 0 HD12 ILE A 57 21.337 2.766 -17.489 1.00 0.00 H new ATOM 0 HD13 ILE A 57 19.839 2.866 -18.445 1.00 0.00 H new ATOM 861 N SER A 58 21.220 7.558 -15.257 1.00 0.00 N ATOM 862 CA SER A 58 22.579 8.082 -15.026 1.00 0.00 C ATOM 863 C SER A 58 22.993 8.151 -13.549 1.00 0.00 C ATOM 864 O SER A 58 24.161 7.934 -13.218 1.00 0.00 O ATOM 865 CB SER A 58 22.676 9.498 -15.611 1.00 0.00 C ATOM 866 OG SER A 58 22.085 9.538 -16.900 1.00 0.00 O ATOM 0 H SER A 58 20.626 8.219 -15.758 1.00 0.00 H new ATOM 0 HA SER A 58 23.255 7.379 -15.513 1.00 0.00 H new ATOM 0 HB2 SER A 58 22.175 10.207 -14.951 1.00 0.00 H new ATOM 0 HB3 SER A 58 23.721 9.803 -15.672 1.00 0.00 H new ATOM 0 HG SER A 58 22.151 10.446 -17.262 1.00 0.00 H new ATOM 872 N GLY A 59 22.034 8.440 -12.657 1.00 0.00 N ATOM 873 CA GLY A 59 22.253 8.556 -11.208 1.00 0.00 C ATOM 874 C GLY A 59 22.231 7.229 -10.432 1.00 0.00 C ATOM 875 O GLY A 59 22.451 7.237 -9.219 1.00 0.00 O ATOM 0 H GLY A 59 21.064 8.603 -12.929 1.00 0.00 H new ATOM 0 HA2 GLY A 59 23.215 9.040 -11.040 1.00 0.00 H new ATOM 0 HA3 GLY A 59 21.489 9.213 -10.793 1.00 0.00 H new ATOM 879 N GLN A 60 21.944 6.097 -11.090 1.00 0.00 N ATOM 880 CA GLN A 60 21.819 4.788 -10.432 1.00 0.00 C ATOM 881 C GLN A 60 23.173 4.099 -10.177 1.00 0.00 C ATOM 882 O GLN A 60 24.159 4.322 -10.880 1.00 0.00 O ATOM 883 CB GLN A 60 20.882 3.874 -11.231 1.00 0.00 C ATOM 884 CG GLN A 60 19.407 4.270 -11.079 1.00 0.00 C ATOM 885 CD GLN A 60 18.506 3.714 -12.180 1.00 0.00 C ATOM 886 OE1 GLN A 60 17.654 4.426 -12.690 1.00 0.00 O ATOM 887 NE2 GLN A 60 18.639 2.472 -12.587 1.00 0.00 N ATOM 0 H GLN A 60 21.791 6.063 -12.098 1.00 0.00 H new ATOM 0 HA GLN A 60 21.387 4.975 -9.449 1.00 0.00 H new ATOM 0 HB2 GLN A 60 21.158 3.908 -12.285 1.00 0.00 H new ATOM 0 HB3 GLN A 60 21.015 2.844 -10.900 1.00 0.00 H new ATOM 0 HG2 GLN A 60 19.044 3.920 -10.113 1.00 0.00 H new ATOM 0 HG3 GLN A 60 19.330 5.357 -11.073 1.00 0.00 H new ATOM 0 HE21 GLN A 60 19.348 1.871 -12.167 1.00 0.00 H new ATOM 0 HE22 GLN A 60 18.034 2.109 -13.323 1.00 0.00 H new ATOM 896 N THR A 61 23.182 3.224 -9.168 1.00 0.00 N ATOM 897 CA THR A 61 24.326 2.410 -8.713 1.00 0.00 C ATOM 898 C THR A 61 23.919 0.932 -8.570 1.00 0.00 C ATOM 899 O THR A 61 22.765 0.567 -8.816 1.00 0.00 O ATOM 900 CB THR A 61 24.879 2.954 -7.376 1.00 0.00 C ATOM 901 OG1 THR A 61 23.859 2.966 -6.394 1.00 0.00 O ATOM 902 CG2 THR A 61 25.426 4.378 -7.503 1.00 0.00 C ATOM 0 H THR A 61 22.346 3.050 -8.611 1.00 0.00 H new ATOM 0 HA THR A 61 25.114 2.475 -9.464 1.00 0.00 H new ATOM 0 HB THR A 61 25.694 2.290 -7.088 1.00 0.00 H new ATOM 0 HG1 THR A 61 24.221 3.311 -5.551 1.00 0.00 H new ATOM 0 HG21 THR A 61 25.802 4.711 -6.535 1.00 0.00 H new ATOM 0 HG22 THR A 61 26.237 4.393 -8.232 1.00 0.00 H new ATOM 0 HG23 THR A 61 24.630 5.046 -7.833 1.00 0.00 H new ATOM 910 N SER A 62 24.859 0.053 -8.202 1.00 0.00 N ATOM 911 CA SER A 62 24.586 -1.361 -7.901 1.00 0.00 C ATOM 912 C SER A 62 25.539 -1.929 -6.839 1.00 0.00 C ATOM 913 O SER A 62 26.631 -1.399 -6.615 1.00 0.00 O ATOM 914 CB SER A 62 24.689 -2.193 -9.175 1.00 0.00 C ATOM 915 OG SER A 62 23.960 -3.407 -9.028 1.00 0.00 O ATOM 0 H SER A 62 25.842 0.305 -8.103 1.00 0.00 H new ATOM 0 HA SER A 62 23.575 -1.414 -7.498 1.00 0.00 H new ATOM 0 HB2 SER A 62 24.300 -1.626 -10.021 1.00 0.00 H new ATOM 0 HB3 SER A 62 25.735 -2.412 -9.392 1.00 0.00 H new ATOM 0 HG SER A 62 23.735 -3.762 -9.913 1.00 0.00 H new ATOM 921 N ASP A 63 25.108 -3.011 -6.197 1.00 0.00 N ATOM 922 CA ASP A 63 25.870 -3.827 -5.244 1.00 0.00 C ATOM 923 C ASP A 63 25.338 -5.276 -5.274 1.00 0.00 C ATOM 924 O ASP A 63 24.183 -5.479 -5.664 1.00 0.00 O ATOM 925 CB ASP A 63 25.742 -3.265 -3.817 1.00 0.00 C ATOM 926 CG ASP A 63 26.620 -2.029 -3.566 1.00 0.00 C ATOM 927 OD1 ASP A 63 27.862 -2.183 -3.497 1.00 0.00 O ATOM 928 OD2 ASP A 63 26.076 -0.914 -3.372 1.00 0.00 O ATOM 0 H ASP A 63 24.162 -3.367 -6.333 1.00 0.00 H new ATOM 0 HA ASP A 63 26.921 -3.808 -5.531 1.00 0.00 H new ATOM 0 HB2 ASP A 63 24.700 -3.005 -3.629 1.00 0.00 H new ATOM 0 HB3 ASP A 63 26.011 -4.043 -3.103 1.00 0.00 H new ATOM 933 N PRO A 64 26.123 -6.289 -4.846 1.00 0.00 N ATOM 934 CA PRO A 64 25.665 -7.679 -4.751 1.00 0.00 C ATOM 935 C PRO A 64 24.441 -7.833 -3.834 1.00 0.00 C ATOM 936 O PRO A 64 24.378 -7.216 -2.768 1.00 0.00 O ATOM 937 CB PRO A 64 26.867 -8.482 -4.230 1.00 0.00 C ATOM 938 CG PRO A 64 28.070 -7.618 -4.610 1.00 0.00 C ATOM 939 CD PRO A 64 27.525 -6.201 -4.463 1.00 0.00 C ATOM 0 HA PRO A 64 25.332 -8.042 -5.723 1.00 0.00 H new ATOM 0 HB2 PRO A 64 26.809 -8.637 -3.153 1.00 0.00 H new ATOM 0 HB3 PRO A 64 26.920 -9.468 -4.691 1.00 0.00 H new ATOM 0 HG2 PRO A 64 28.920 -7.795 -3.951 1.00 0.00 H new ATOM 0 HG3 PRO A 64 28.408 -7.819 -5.627 1.00 0.00 H new ATOM 0 HD2 PRO A 64 27.632 -5.842 -3.439 1.00 0.00 H new ATOM 0 HD3 PRO A 64 28.065 -5.503 -5.103 1.00 0.00 H new ATOM 947 N ILE A 65 23.483 -8.688 -4.203 1.00 0.00 N ATOM 948 CA ILE A 65 22.170 -8.759 -3.533 1.00 0.00 C ATOM 949 C ILE A 65 22.233 -9.105 -2.037 1.00 0.00 C ATOM 950 O ILE A 65 21.416 -8.619 -1.258 1.00 0.00 O ATOM 951 CB ILE A 65 21.224 -9.689 -4.327 1.00 0.00 C ATOM 952 CG1 ILE A 65 19.756 -9.385 -3.964 1.00 0.00 C ATOM 953 CG2 ILE A 65 21.584 -11.180 -4.155 1.00 0.00 C ATOM 954 CD1 ILE A 65 18.741 -10.189 -4.776 1.00 0.00 C ATOM 0 H ILE A 65 23.589 -9.351 -4.971 1.00 0.00 H new ATOM 0 HA ILE A 65 21.757 -7.750 -3.541 1.00 0.00 H new ATOM 0 HB ILE A 65 21.356 -9.482 -5.389 1.00 0.00 H new ATOM 0 HG12 ILE A 65 19.604 -9.590 -2.904 1.00 0.00 H new ATOM 0 HG13 ILE A 65 19.567 -8.322 -4.114 1.00 0.00 H new ATOM 0 HG21 ILE A 65 20.890 -11.791 -4.732 1.00 0.00 H new ATOM 0 HG22 ILE A 65 22.600 -11.352 -4.509 1.00 0.00 H new ATOM 0 HG23 ILE A 65 21.516 -11.451 -3.102 1.00 0.00 H new ATOM 0 HD11 ILE A 65 17.731 -9.921 -4.464 1.00 0.00 H new ATOM 0 HD12 ILE A 65 18.865 -9.967 -5.836 1.00 0.00 H new ATOM 0 HD13 ILE A 65 18.902 -11.254 -4.608 1.00 0.00 H new ATOM 966 N GLU A 66 23.243 -9.865 -1.601 1.00 0.00 N ATOM 967 CA GLU A 66 23.413 -10.246 -0.188 1.00 0.00 C ATOM 968 C GLU A 66 23.782 -9.063 0.738 1.00 0.00 C ATOM 969 O GLU A 66 23.687 -9.188 1.961 1.00 0.00 O ATOM 970 CB GLU A 66 24.446 -11.377 -0.062 1.00 0.00 C ATOM 971 CG GLU A 66 24.012 -12.662 -0.780 1.00 0.00 C ATOM 972 CD GLU A 66 25.013 -13.801 -0.505 1.00 0.00 C ATOM 973 OE1 GLU A 66 25.998 -13.950 -1.272 1.00 0.00 O ATOM 974 OE2 GLU A 66 24.831 -14.561 0.478 1.00 0.00 O ATOM 0 H GLU A 66 23.968 -10.235 -2.215 1.00 0.00 H new ATOM 0 HA GLU A 66 22.439 -10.598 0.153 1.00 0.00 H new ATOM 0 HB2 GLU A 66 25.398 -11.041 -0.473 1.00 0.00 H new ATOM 0 HB3 GLU A 66 24.613 -11.594 0.993 1.00 0.00 H new ATOM 0 HG2 GLU A 66 23.018 -12.955 -0.443 1.00 0.00 H new ATOM 0 HG3 GLU A 66 23.945 -12.481 -1.853 1.00 0.00 H new ATOM 981 N ASN A 67 24.151 -7.896 0.183 1.00 0.00 N ATOM 982 CA ASN A 67 24.310 -6.659 0.962 1.00 0.00 C ATOM 983 C ASN A 67 22.954 -6.026 1.364 1.00 0.00 C ATOM 984 O ASN A 67 22.906 -5.238 2.312 1.00 0.00 O ATOM 985 CB ASN A 67 25.235 -5.671 0.208 1.00 0.00 C ATOM 986 CG ASN A 67 24.480 -4.522 -0.446 1.00 0.00 C ATOM 987 OD1 ASN A 67 24.440 -3.404 0.051 1.00 0.00 O ATOM 988 ND2 ASN A 67 23.826 -4.764 -1.552 1.00 0.00 N ATOM 0 H ASN A 67 24.346 -7.785 -0.812 1.00 0.00 H new ATOM 0 HA ASN A 67 24.792 -6.915 1.906 1.00 0.00 H new ATOM 0 HB2 ASN A 67 25.968 -5.265 0.906 1.00 0.00 H new ATOM 0 HB3 ASN A 67 25.790 -6.215 -0.557 1.00 0.00 H new ATOM 0 HD21 ASN A 67 23.285 -4.023 -1.997 1.00 0.00 H new ATOM 0 HD22 ASN A 67 23.857 -5.694 -1.969 1.00 0.00 H new ATOM 995 N PHE A 68 21.863 -6.349 0.654 1.00 0.00 N ATOM 996 CA PHE A 68 20.522 -5.789 0.865 1.00 0.00 C ATOM 997 C PHE A 68 19.648 -6.676 1.773 1.00 0.00 C ATOM 998 O PHE A 68 19.955 -7.843 2.035 1.00 0.00 O ATOM 999 CB PHE A 68 19.845 -5.518 -0.496 1.00 0.00 C ATOM 1000 CG PHE A 68 20.568 -4.544 -1.415 1.00 0.00 C ATOM 1001 CD1 PHE A 68 20.918 -3.256 -0.957 1.00 0.00 C ATOM 1002 CD2 PHE A 68 20.872 -4.913 -2.739 1.00 0.00 C ATOM 1003 CE1 PHE A 68 21.594 -2.361 -1.808 1.00 0.00 C ATOM 1004 CE2 PHE A 68 21.556 -4.020 -3.586 1.00 0.00 C ATOM 1005 CZ PHE A 68 21.913 -2.743 -3.121 1.00 0.00 C ATOM 0 H PHE A 68 21.892 -7.028 -0.106 1.00 0.00 H new ATOM 0 HA PHE A 68 20.634 -4.842 1.393 1.00 0.00 H new ATOM 0 HB2 PHE A 68 19.733 -6.467 -1.020 1.00 0.00 H new ATOM 0 HB3 PHE A 68 18.841 -5.136 -0.311 1.00 0.00 H new ATOM 0 HD1 PHE A 68 20.667 -2.956 0.050 1.00 0.00 H new ATOM 0 HD2 PHE A 68 20.579 -5.885 -3.107 1.00 0.00 H new ATOM 0 HE1 PHE A 68 21.868 -1.379 -1.450 1.00 0.00 H new ATOM 0 HE2 PHE A 68 21.806 -4.317 -4.594 1.00 0.00 H new ATOM 0 HZ PHE A 68 22.432 -2.056 -3.773 1.00 0.00 H new ATOM 1015 N ASN A 69 18.531 -6.111 2.244 1.00 0.00 N ATOM 1016 CA ASN A 69 17.549 -6.764 3.117 1.00 0.00 C ATOM 1017 C ASN A 69 16.195 -6.923 2.405 1.00 0.00 C ATOM 1018 O ASN A 69 15.460 -5.948 2.253 1.00 0.00 O ATOM 1019 CB ASN A 69 17.457 -5.986 4.453 1.00 0.00 C ATOM 1020 CG ASN A 69 17.515 -4.461 4.349 1.00 0.00 C ATOM 1021 OD1 ASN A 69 18.382 -3.815 4.923 1.00 0.00 O ATOM 1022 ND2 ASN A 69 16.628 -3.836 3.612 1.00 0.00 N ATOM 0 H ASN A 69 18.276 -5.149 2.019 1.00 0.00 H new ATOM 0 HA ASN A 69 17.874 -7.778 3.352 1.00 0.00 H new ATOM 0 HB2 ASN A 69 16.525 -6.261 4.947 1.00 0.00 H new ATOM 0 HB3 ASN A 69 18.270 -6.317 5.099 1.00 0.00 H new ATOM 0 HD21 ASN A 69 16.665 -2.821 3.521 1.00 0.00 H new ATOM 0 HD22 ASN A 69 15.902 -4.365 3.130 1.00 0.00 H new ATOM 1029 N ALA A 70 15.815 -8.139 1.998 1.00 0.00 N ATOM 1030 CA ALA A 70 14.577 -8.382 1.241 1.00 0.00 C ATOM 1031 C ALA A 70 13.293 -8.009 2.011 1.00 0.00 C ATOM 1032 O ALA A 70 12.239 -7.818 1.409 1.00 0.00 O ATOM 1033 CB ALA A 70 14.550 -9.850 0.805 1.00 0.00 C ATOM 0 H ALA A 70 16.355 -8.984 2.183 1.00 0.00 H new ATOM 0 HA ALA A 70 14.587 -7.724 0.372 1.00 0.00 H new ATOM 0 HB1 ALA A 70 13.637 -10.046 0.242 1.00 0.00 H new ATOM 0 HB2 ALA A 70 15.416 -10.059 0.176 1.00 0.00 H new ATOM 0 HB3 ALA A 70 14.578 -10.492 1.686 1.00 0.00 H new ATOM 1039 N ASP A 71 13.386 -7.838 3.330 1.00 0.00 N ATOM 1040 CA ASP A 71 12.291 -7.412 4.218 1.00 0.00 C ATOM 1041 C ASP A 71 11.706 -6.033 3.839 1.00 0.00 C ATOM 1042 O ASP A 71 10.591 -5.689 4.235 1.00 0.00 O ATOM 1043 CB ASP A 71 12.824 -7.341 5.654 1.00 0.00 C ATOM 1044 CG ASP A 71 13.357 -8.691 6.157 1.00 0.00 C ATOM 1045 OD1 ASP A 71 12.549 -9.516 6.649 1.00 0.00 O ATOM 1046 OD2 ASP A 71 14.585 -8.928 6.060 1.00 0.00 O ATOM 0 H ASP A 71 14.258 -7.997 3.834 1.00 0.00 H new ATOM 0 HA ASP A 71 11.489 -8.143 4.119 1.00 0.00 H new ATOM 0 HB2 ASP A 71 13.621 -6.599 5.705 1.00 0.00 H new ATOM 0 HB3 ASP A 71 12.028 -7.000 6.316 1.00 0.00 H new ATOM 1051 N ASP A 72 12.465 -5.251 3.065 1.00 0.00 N ATOM 1052 CA ASP A 72 12.145 -3.897 2.620 1.00 0.00 C ATOM 1053 C ASP A 72 11.701 -3.840 1.142 1.00 0.00 C ATOM 1054 O ASP A 72 11.394 -2.757 0.652 1.00 0.00 O ATOM 1055 CB ASP A 72 13.378 -3.029 2.904 1.00 0.00 C ATOM 1056 CG ASP A 72 13.103 -1.522 2.798 1.00 0.00 C ATOM 1057 OD1 ASP A 72 12.139 -1.018 3.423 1.00 0.00 O ATOM 1058 OD2 ASP A 72 13.897 -0.810 2.135 1.00 0.00 O ATOM 0 H ASP A 72 13.369 -5.567 2.714 1.00 0.00 H new ATOM 0 HA ASP A 72 11.283 -3.517 3.168 1.00 0.00 H new ATOM 0 HB2 ASP A 72 13.748 -3.253 3.904 1.00 0.00 H new ATOM 0 HB3 ASP A 72 14.170 -3.296 2.204 1.00 0.00 H new ATOM 1063 N TYR A 73 11.662 -4.982 0.433 1.00 0.00 N ATOM 1064 CA TYR A 73 11.318 -5.099 -0.986 1.00 0.00 C ATOM 1065 C TYR A 73 10.148 -6.071 -1.160 1.00 0.00 C ATOM 1066 O TYR A 73 10.313 -7.225 -1.555 1.00 0.00 O ATOM 1067 CB TYR A 73 12.546 -5.515 -1.801 1.00 0.00 C ATOM 1068 CG TYR A 73 13.690 -4.538 -1.671 1.00 0.00 C ATOM 1069 CD1 TYR A 73 13.777 -3.426 -2.525 1.00 0.00 C ATOM 1070 CD2 TYR A 73 14.635 -4.714 -0.647 1.00 0.00 C ATOM 1071 CE1 TYR A 73 14.828 -2.507 -2.366 1.00 0.00 C ATOM 1072 CE2 TYR A 73 15.682 -3.793 -0.472 1.00 0.00 C ATOM 1073 CZ TYR A 73 15.784 -2.679 -1.337 1.00 0.00 C ATOM 1074 OH TYR A 73 16.794 -1.776 -1.198 1.00 0.00 O ATOM 0 H TYR A 73 11.879 -5.884 0.856 1.00 0.00 H new ATOM 0 HA TYR A 73 10.998 -4.128 -1.365 1.00 0.00 H new ATOM 0 HB2 TYR A 73 12.877 -6.501 -1.474 1.00 0.00 H new ATOM 0 HB3 TYR A 73 12.267 -5.604 -2.851 1.00 0.00 H new ATOM 0 HD1 TYR A 73 13.040 -3.278 -3.300 1.00 0.00 H new ATOM 0 HD2 TYR A 73 14.556 -5.566 0.013 1.00 0.00 H new ATOM 0 HE1 TYR A 73 14.907 -1.663 -3.035 1.00 0.00 H new ATOM 0 HE2 TYR A 73 16.404 -3.935 0.318 1.00 0.00 H new ATOM 0 HH TYR A 73 17.364 -2.036 -0.445 1.00 0.00 H new ATOM 1084 N ASP A 74 8.954 -5.578 -0.838 1.00 0.00 N ATOM 1085 CA ASP A 74 7.675 -6.302 -0.844 1.00 0.00 C ATOM 1086 C ASP A 74 7.375 -6.992 -2.183 1.00 0.00 C ATOM 1087 O ASP A 74 6.589 -7.937 -2.239 1.00 0.00 O ATOM 1088 CB ASP A 74 6.529 -5.310 -0.573 1.00 0.00 C ATOM 1089 CG ASP A 74 6.871 -4.265 0.498 1.00 0.00 C ATOM 1090 OD1 ASP A 74 7.540 -3.269 0.129 1.00 0.00 O ATOM 1091 OD2 ASP A 74 6.473 -4.436 1.674 1.00 0.00 O ATOM 0 H ASP A 74 8.842 -4.606 -0.548 1.00 0.00 H new ATOM 0 HA ASP A 74 7.752 -7.069 -0.073 1.00 0.00 H new ATOM 0 HB2 ASP A 74 6.273 -4.799 -1.501 1.00 0.00 H new ATOM 0 HB3 ASP A 74 5.644 -5.864 -0.260 1.00 0.00 H new ATOM 1096 N VAL A 75 7.972 -6.498 -3.271 1.00 0.00 N ATOM 1097 CA VAL A 75 7.787 -6.993 -4.627 1.00 0.00 C ATOM 1098 C VAL A 75 9.151 -7.119 -5.311 1.00 0.00 C ATOM 1099 O VAL A 75 9.964 -6.195 -5.265 1.00 0.00 O ATOM 1100 CB VAL A 75 6.799 -6.072 -5.367 1.00 0.00 C ATOM 1101 CG1 VAL A 75 6.659 -6.492 -6.834 1.00 0.00 C ATOM 1102 CG2 VAL A 75 5.411 -6.100 -4.711 1.00 0.00 C ATOM 0 H VAL A 75 8.621 -5.713 -3.224 1.00 0.00 H new ATOM 0 HA VAL A 75 7.348 -7.991 -4.632 1.00 0.00 H new ATOM 0 HB VAL A 75 7.201 -5.060 -5.311 1.00 0.00 H new ATOM 0 HG11 VAL A 75 5.956 -5.828 -7.337 1.00 0.00 H new ATOM 0 HG12 VAL A 75 7.631 -6.431 -7.324 1.00 0.00 H new ATOM 0 HG13 VAL A 75 6.290 -7.516 -6.886 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.737 -5.440 -5.257 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.019 -7.117 -4.732 1.00 0.00 H new ATOM 0 HG23 VAL A 75 5.490 -5.763 -3.677 1.00 0.00 H new ATOM 1112 N VAL A 76 9.441 -8.256 -5.949 1.00 0.00 N ATOM 1113 CA VAL A 76 10.763 -8.524 -6.560 1.00 0.00 C ATOM 1114 C VAL A 76 10.593 -9.184 -7.932 1.00 0.00 C ATOM 1115 O VAL A 76 9.904 -10.193 -8.062 1.00 0.00 O ATOM 1116 CB VAL A 76 11.656 -9.365 -5.617 1.00 0.00 C ATOM 1117 CG1 VAL A 76 13.014 -9.699 -6.255 1.00 0.00 C ATOM 1118 CG2 VAL A 76 11.948 -8.639 -4.292 1.00 0.00 C ATOM 0 H VAL A 76 8.774 -9.020 -6.061 1.00 0.00 H new ATOM 0 HA VAL A 76 11.274 -7.573 -6.712 1.00 0.00 H new ATOM 0 HB VAL A 76 11.089 -10.277 -5.430 1.00 0.00 H new ATOM 0 HG11 VAL A 76 13.608 -10.290 -5.558 1.00 0.00 H new ATOM 0 HG12 VAL A 76 12.856 -10.269 -7.171 1.00 0.00 H new ATOM 0 HG13 VAL A 76 13.543 -8.775 -6.489 1.00 0.00 H new ATOM 0 HG21 VAL A 76 12.578 -9.268 -3.663 1.00 0.00 H new ATOM 0 HG22 VAL A 76 12.463 -7.700 -4.497 1.00 0.00 H new ATOM 0 HG23 VAL A 76 11.010 -8.433 -3.776 1.00 0.00 H new ATOM 1128 N ILE A 77 11.213 -8.600 -8.962 1.00 0.00 N ATOM 1129 CA ILE A 77 11.146 -9.048 -10.360 1.00 0.00 C ATOM 1130 C ILE A 77 12.552 -9.502 -10.787 1.00 0.00 C ATOM 1131 O ILE A 77 13.491 -8.708 -10.790 1.00 0.00 O ATOM 1132 CB ILE A 77 10.604 -7.912 -11.277 1.00 0.00 C ATOM 1133 CG1 ILE A 77 9.089 -7.545 -11.206 1.00 0.00 C ATOM 1134 CG2 ILE A 77 10.895 -8.214 -12.762 1.00 0.00 C ATOM 1135 CD1 ILE A 77 8.396 -7.690 -9.852 1.00 0.00 C ATOM 0 H ILE A 77 11.797 -7.772 -8.843 1.00 0.00 H new ATOM 0 HA ILE A 77 10.454 -9.884 -10.456 1.00 0.00 H new ATOM 0 HB ILE A 77 11.143 -7.056 -10.870 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.977 -6.512 -11.534 1.00 0.00 H new ATOM 0 HG13 ILE A 77 8.557 -8.167 -11.926 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.506 -7.405 -13.381 1.00 0.00 H new ATOM 0 HG22 ILE A 77 11.971 -8.300 -12.912 1.00 0.00 H new ATOM 0 HG23 ILE A 77 10.413 -9.150 -13.044 1.00 0.00 H new ATOM 0 HD11 ILE A 77 7.349 -7.402 -9.947 1.00 0.00 H new ATOM 0 HD12 ILE A 77 8.459 -8.726 -9.520 1.00 0.00 H new ATOM 0 HD13 ILE A 77 8.885 -7.045 -9.122 1.00 0.00 H new ATOM 1147 N SER A 78 12.690 -10.768 -11.173 1.00 0.00 N ATOM 1148 CA SER A 78 13.876 -11.344 -11.822 1.00 0.00 C ATOM 1149 C SER A 78 13.836 -11.072 -13.330 1.00 0.00 C ATOM 1150 O SER A 78 12.759 -10.962 -13.912 1.00 0.00 O ATOM 1151 CB SER A 78 13.928 -12.850 -11.528 1.00 0.00 C ATOM 1152 OG SER A 78 14.896 -13.515 -12.318 1.00 0.00 O ATOM 0 H SER A 78 11.948 -11.455 -11.038 1.00 0.00 H new ATOM 0 HA SER A 78 14.779 -10.879 -11.426 1.00 0.00 H new ATOM 0 HB2 SER A 78 14.154 -13.005 -10.473 1.00 0.00 H new ATOM 0 HB3 SER A 78 12.947 -13.289 -11.712 1.00 0.00 H new ATOM 0 HG SER A 78 14.447 -14.034 -13.017 1.00 0.00 H new ATOM 1158 N LEU A 79 14.992 -10.967 -13.991 1.00 0.00 N ATOM 1159 CA LEU A 79 15.093 -10.774 -15.449 1.00 0.00 C ATOM 1160 C LEU A 79 16.028 -11.809 -16.098 1.00 0.00 C ATOM 1161 O LEU A 79 16.818 -11.467 -16.976 1.00 0.00 O ATOM 1162 CB LEU A 79 15.447 -9.302 -15.783 1.00 0.00 C ATOM 1163 CG LEU A 79 14.451 -8.235 -15.274 1.00 0.00 C ATOM 1164 CD1 LEU A 79 14.820 -7.691 -13.894 1.00 0.00 C ATOM 1165 CD2 LEU A 79 14.435 -7.018 -16.199 1.00 0.00 C ATOM 0 H LEU A 79 15.899 -11.014 -13.527 1.00 0.00 H new ATOM 0 HA LEU A 79 14.117 -10.959 -15.896 1.00 0.00 H new ATOM 0 HB2 LEU A 79 16.430 -9.082 -15.366 1.00 0.00 H new ATOM 0 HB3 LEU A 79 15.531 -9.206 -16.865 1.00 0.00 H new ATOM 0 HG LEU A 79 13.487 -8.743 -15.239 1.00 0.00 H new ATOM 0 HD11 LEU A 79 14.086 -6.946 -13.588 1.00 0.00 H new ATOM 0 HD12 LEU A 79 14.831 -8.507 -13.172 1.00 0.00 H new ATOM 0 HD13 LEU A 79 15.807 -7.231 -13.936 1.00 0.00 H new ATOM 0 HD21 LEU A 79 13.727 -6.282 -15.819 1.00 0.00 H new ATOM 0 HD22 LEU A 79 15.431 -6.577 -16.237 1.00 0.00 H new ATOM 0 HD23 LEU A 79 14.136 -7.326 -17.201 1.00 0.00 H new ATOM 1177 N CYS A 80 15.998 -13.060 -15.630 1.00 0.00 N ATOM 1178 CA CYS A 80 16.969 -14.109 -15.987 1.00 0.00 C ATOM 1179 C CYS A 80 16.342 -15.423 -16.500 1.00 0.00 C ATOM 1180 O CYS A 80 17.012 -16.458 -16.508 1.00 0.00 O ATOM 1181 CB CYS A 80 17.895 -14.331 -14.778 1.00 0.00 C ATOM 1182 SG CYS A 80 18.970 -12.889 -14.537 1.00 0.00 S ATOM 0 H CYS A 80 15.284 -13.383 -14.978 1.00 0.00 H new ATOM 0 HA CYS A 80 17.541 -13.759 -16.846 1.00 0.00 H new ATOM 0 HB2 CYS A 80 17.299 -14.503 -13.882 1.00 0.00 H new ATOM 0 HB3 CYS A 80 18.501 -15.223 -14.934 1.00 0.00 H new ATOM 0 HG CYS A 80 19.744 -13.091 -13.512 1.00 0.00 H new ATOM 1188 N GLY A 81 15.071 -15.429 -16.915 1.00 0.00 N ATOM 1189 CA GLY A 81 14.413 -16.630 -17.464 1.00 0.00 C ATOM 1190 C GLY A 81 14.308 -17.792 -16.464 1.00 0.00 C ATOM 1191 O GLY A 81 14.479 -18.953 -16.845 1.00 0.00 O ATOM 0 H GLY A 81 14.467 -14.607 -16.882 1.00 0.00 H new ATOM 0 HA2 GLY A 81 13.412 -16.362 -17.802 1.00 0.00 H new ATOM 0 HA3 GLY A 81 14.966 -16.967 -18.341 1.00 0.00 H new ATOM 1195 N CYS A 82 14.126 -17.470 -15.178 1.00 0.00 N ATOM 1196 CA CYS A 82 14.198 -18.357 -14.005 1.00 0.00 C ATOM 1197 C CYS A 82 15.567 -19.039 -13.757 1.00 0.00 C ATOM 1198 O CYS A 82 15.730 -19.715 -12.742 1.00 0.00 O ATOM 1199 CB CYS A 82 13.018 -19.348 -13.996 1.00 0.00 C ATOM 1200 SG CYS A 82 11.438 -18.453 -13.899 1.00 0.00 S ATOM 0 H CYS A 82 13.908 -16.511 -14.907 1.00 0.00 H new ATOM 0 HA CYS A 82 14.104 -17.699 -13.141 1.00 0.00 H new ATOM 0 HB2 CYS A 82 13.042 -19.960 -14.898 1.00 0.00 H new ATOM 0 HB3 CYS A 82 13.111 -20.027 -13.148 1.00 0.00 H new ATOM 0 HG CYS A 82 10.456 -19.305 -13.895 1.00 0.00 H new ATOM 1206 N GLY A 83 16.576 -18.814 -14.607 1.00 0.00 N ATOM 1207 CA GLY A 83 17.974 -19.214 -14.396 1.00 0.00 C ATOM 1208 C GLY A 83 18.703 -18.240 -13.464 1.00 0.00 C ATOM 1209 O GLY A 83 19.680 -17.605 -13.862 1.00 0.00 O ATOM 0 H GLY A 83 16.437 -18.330 -15.494 1.00 0.00 H new ATOM 0 HA2 GLY A 83 18.006 -20.218 -13.972 1.00 0.00 H new ATOM 0 HA3 GLY A 83 18.490 -19.256 -15.355 1.00 0.00 H new ATOM 1213 N VAL A 84 18.179 -18.070 -12.245 1.00 0.00 N ATOM 1214 CA VAL A 84 18.590 -17.037 -11.278 1.00 0.00 C ATOM 1215 C VAL A 84 18.981 -17.650 -9.925 1.00 0.00 C ATOM 1216 O VAL A 84 18.322 -18.568 -9.436 1.00 0.00 O ATOM 1217 CB VAL A 84 17.482 -15.962 -11.162 1.00 0.00 C ATOM 1218 CG1 VAL A 84 16.263 -16.377 -10.331 1.00 0.00 C ATOM 1219 CG2 VAL A 84 18.031 -14.640 -10.621 1.00 0.00 C ATOM 0 H VAL A 84 17.432 -18.666 -11.889 1.00 0.00 H new ATOM 0 HA VAL A 84 19.491 -16.543 -11.643 1.00 0.00 H new ATOM 0 HB VAL A 84 17.134 -15.836 -12.187 1.00 0.00 H new ATOM 0 HG11 VAL A 84 15.543 -15.559 -10.308 1.00 0.00 H new ATOM 0 HG12 VAL A 84 15.800 -17.256 -10.779 1.00 0.00 H new ATOM 0 HG13 VAL A 84 16.578 -16.611 -9.314 1.00 0.00 H new ATOM 0 HG21 VAL A 84 17.224 -13.911 -10.554 1.00 0.00 H new ATOM 0 HG22 VAL A 84 18.457 -14.801 -9.631 1.00 0.00 H new ATOM 0 HG23 VAL A 84 18.804 -14.265 -11.292 1.00 0.00 H new ATOM 1229 N ASN A 85 20.049 -17.136 -9.307 1.00 0.00 N ATOM 1230 CA ASN A 85 20.468 -17.499 -7.946 1.00 0.00 C ATOM 1231 C ASN A 85 19.985 -16.424 -6.955 1.00 0.00 C ATOM 1232 O ASN A 85 20.377 -15.263 -7.072 1.00 0.00 O ATOM 1233 CB ASN A 85 21.999 -17.689 -7.934 1.00 0.00 C ATOM 1234 CG ASN A 85 22.548 -18.170 -6.596 1.00 0.00 C ATOM 1235 OD1 ASN A 85 21.828 -18.472 -5.654 1.00 0.00 O ATOM 1236 ND2 ASN A 85 23.853 -18.266 -6.470 1.00 0.00 N ATOM 0 H ASN A 85 20.658 -16.444 -9.744 1.00 0.00 H new ATOM 0 HA ASN A 85 20.017 -18.440 -7.631 1.00 0.00 H new ATOM 0 HB2 ASN A 85 22.273 -18.406 -8.708 1.00 0.00 H new ATOM 0 HB3 ASN A 85 22.475 -16.743 -8.193 1.00 0.00 H new ATOM 0 HD21 ASN A 85 24.258 -18.590 -5.592 1.00 0.00 H new ATOM 0 HD22 ASN A 85 24.460 -18.016 -7.250 1.00 0.00 H new ATOM 1243 N LEU A 86 19.122 -16.794 -6.003 1.00 0.00 N ATOM 1244 CA LEU A 86 18.535 -15.886 -5.013 1.00 0.00 C ATOM 1245 C LEU A 86 18.408 -16.552 -3.626 1.00 0.00 C ATOM 1246 O LEU A 86 17.864 -17.659 -3.545 1.00 0.00 O ATOM 1247 CB LEU A 86 17.126 -15.449 -5.477 1.00 0.00 C ATOM 1248 CG LEU A 86 17.064 -14.450 -6.646 1.00 0.00 C ATOM 1249 CD1 LEU A 86 15.604 -14.200 -7.028 1.00 0.00 C ATOM 1250 CD2 LEU A 86 17.675 -13.094 -6.298 1.00 0.00 C ATOM 0 H LEU A 86 18.805 -17.758 -5.897 1.00 0.00 H new ATOM 0 HA LEU A 86 19.199 -15.026 -4.927 1.00 0.00 H new ATOM 0 HB2 LEU A 86 16.569 -16.342 -5.762 1.00 0.00 H new ATOM 0 HB3 LEU A 86 16.608 -15.009 -4.625 1.00 0.00 H new ATOM 0 HG LEU A 86 17.633 -14.895 -7.462 1.00 0.00 H new ATOM 0 HD11 LEU A 86 15.561 -13.492 -7.856 1.00 0.00 H new ATOM 0 HD12 LEU A 86 15.141 -15.140 -7.329 1.00 0.00 H new ATOM 0 HD13 LEU A 86 15.069 -13.790 -6.172 1.00 0.00 H new ATOM 0 HD21 LEU A 86 17.603 -12.431 -7.160 1.00 0.00 H new ATOM 0 HD22 LEU A 86 17.136 -12.657 -5.458 1.00 0.00 H new ATOM 0 HD23 LEU A 86 18.723 -13.226 -6.028 1.00 0.00 H new ATOM 1262 N PRO A 87 18.843 -15.886 -2.532 1.00 0.00 N ATOM 1263 CA PRO A 87 18.550 -16.328 -1.166 1.00 0.00 C ATOM 1264 C PRO A 87 17.021 -16.365 -0.935 1.00 0.00 C ATOM 1265 O PRO A 87 16.306 -15.547 -1.527 1.00 0.00 O ATOM 1266 CB PRO A 87 19.283 -15.340 -0.243 1.00 0.00 C ATOM 1267 CG PRO A 87 20.407 -14.785 -1.119 1.00 0.00 C ATOM 1268 CD PRO A 87 19.797 -14.782 -2.518 1.00 0.00 C ATOM 0 HA PRO A 87 18.894 -17.343 -0.965 1.00 0.00 H new ATOM 0 HB2 PRO A 87 18.618 -14.549 0.104 1.00 0.00 H new ATOM 0 HB3 PRO A 87 19.676 -15.838 0.644 1.00 0.00 H new ATOM 0 HG2 PRO A 87 20.702 -13.783 -0.807 1.00 0.00 H new ATOM 0 HG3 PRO A 87 21.299 -15.409 -1.071 1.00 0.00 H new ATOM 0 HD2 PRO A 87 19.302 -13.834 -2.728 1.00 0.00 H new ATOM 0 HD3 PRO A 87 20.564 -14.917 -3.280 1.00 0.00 H new ATOM 1276 N PRO A 88 16.484 -17.273 -0.095 1.00 0.00 N ATOM 1277 CA PRO A 88 15.038 -17.527 0.016 1.00 0.00 C ATOM 1278 C PRO A 88 14.177 -16.304 0.371 1.00 0.00 C ATOM 1279 O PRO A 88 13.040 -16.191 -0.094 1.00 0.00 O ATOM 1280 CB PRO A 88 14.896 -18.654 1.046 1.00 0.00 C ATOM 1281 CG PRO A 88 16.200 -18.603 1.843 1.00 0.00 C ATOM 1282 CD PRO A 88 17.217 -18.163 0.794 1.00 0.00 C ATOM 0 HA PRO A 88 14.648 -17.803 -0.964 1.00 0.00 H new ATOM 0 HB2 PRO A 88 14.030 -18.498 1.689 1.00 0.00 H new ATOM 0 HB3 PRO A 88 14.763 -19.621 0.562 1.00 0.00 H new ATOM 0 HG2 PRO A 88 16.141 -17.897 2.671 1.00 0.00 H new ATOM 0 HG3 PRO A 88 16.452 -19.574 2.269 1.00 0.00 H new ATOM 0 HD2 PRO A 88 18.062 -17.652 1.255 1.00 0.00 H new ATOM 0 HD3 PRO A 88 17.619 -19.019 0.252 1.00 0.00 H new ATOM 1290 N GLU A 89 14.707 -15.327 1.106 1.00 0.00 N ATOM 1291 CA GLU A 89 13.985 -14.088 1.416 1.00 0.00 C ATOM 1292 C GLU A 89 13.653 -13.227 0.177 1.00 0.00 C ATOM 1293 O GLU A 89 12.701 -12.449 0.210 1.00 0.00 O ATOM 1294 CB GLU A 89 14.714 -13.293 2.510 1.00 0.00 C ATOM 1295 CG GLU A 89 16.151 -12.862 2.174 1.00 0.00 C ATOM 1296 CD GLU A 89 17.195 -13.832 2.765 1.00 0.00 C ATOM 1297 OE1 GLU A 89 17.211 -15.024 2.376 1.00 0.00 O ATOM 1298 OE2 GLU A 89 17.998 -13.406 3.633 1.00 0.00 O ATOM 0 H GLU A 89 15.645 -15.369 1.503 1.00 0.00 H new ATOM 0 HA GLU A 89 13.012 -14.386 1.806 1.00 0.00 H new ATOM 0 HB2 GLU A 89 14.130 -12.401 2.736 1.00 0.00 H new ATOM 0 HB3 GLU A 89 14.738 -13.896 3.417 1.00 0.00 H new ATOM 0 HG2 GLU A 89 16.272 -12.814 1.092 1.00 0.00 H new ATOM 0 HG3 GLU A 89 16.329 -11.858 2.560 1.00 0.00 H new ATOM 1305 N TRP A 90 14.354 -13.392 -0.951 1.00 0.00 N ATOM 1306 CA TRP A 90 14.084 -12.640 -2.190 1.00 0.00 C ATOM 1307 C TRP A 90 12.935 -13.202 -3.039 1.00 0.00 C ATOM 1308 O TRP A 90 12.421 -12.500 -3.903 1.00 0.00 O ATOM 1309 CB TRP A 90 15.381 -12.535 -2.998 1.00 0.00 C ATOM 1310 CG TRP A 90 16.387 -11.663 -2.326 1.00 0.00 C ATOM 1311 CD1 TRP A 90 17.426 -12.068 -1.567 1.00 0.00 C ATOM 1312 CD2 TRP A 90 16.350 -10.215 -2.213 1.00 0.00 C ATOM 1313 NE1 TRP A 90 18.035 -10.967 -0.989 1.00 0.00 N ATOM 1314 CE2 TRP A 90 17.368 -9.804 -1.309 1.00 0.00 C ATOM 1315 CE3 TRP A 90 15.505 -9.220 -2.741 1.00 0.00 C ATOM 1316 CZ2 TRP A 90 17.486 -8.475 -0.884 1.00 0.00 C ATOM 1317 CZ3 TRP A 90 15.620 -7.884 -2.331 1.00 0.00 C ATOM 1318 CH2 TRP A 90 16.583 -7.517 -1.375 1.00 0.00 C ATOM 0 H TRP A 90 15.127 -14.052 -1.034 1.00 0.00 H new ATOM 0 HA TRP A 90 13.739 -11.649 -1.895 1.00 0.00 H new ATOM 0 HB2 TRP A 90 15.801 -13.531 -3.141 1.00 0.00 H new ATOM 0 HB3 TRP A 90 15.160 -12.137 -3.989 1.00 0.00 H new ATOM 0 HD1 TRP A 90 17.735 -13.094 -1.431 1.00 0.00 H new ATOM 0 HE1 TRP A 90 18.869 -11.011 -0.403 1.00 0.00 H new ATOM 0 HE3 TRP A 90 14.757 -9.490 -3.472 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 18.261 -8.190 -0.188 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 14.966 -7.134 -2.751 1.00 0.00 H new ATOM 0 HH2 TRP A 90 16.629 -6.499 -1.018 1.00 0.00 H new ATOM 1329 N VAL A 91 12.509 -14.442 -2.777 1.00 0.00 N ATOM 1330 CA VAL A 91 11.485 -15.170 -3.564 1.00 0.00 C ATOM 1331 C VAL A 91 10.171 -15.385 -2.807 1.00 0.00 C ATOM 1332 O VAL A 91 9.122 -15.558 -3.420 1.00 0.00 O ATOM 1333 CB VAL A 91 12.020 -16.525 -4.071 1.00 0.00 C ATOM 1334 CG1 VAL A 91 13.154 -16.330 -5.082 1.00 0.00 C ATOM 1335 CG2 VAL A 91 12.531 -17.416 -2.932 1.00 0.00 C ATOM 0 H VAL A 91 12.870 -14.988 -1.995 1.00 0.00 H new ATOM 0 HA VAL A 91 11.266 -14.525 -4.415 1.00 0.00 H new ATOM 0 HB VAL A 91 11.175 -17.019 -4.550 1.00 0.00 H new ATOM 0 HG11 VAL A 91 13.510 -17.303 -5.421 1.00 0.00 H new ATOM 0 HG12 VAL A 91 12.787 -15.760 -5.936 1.00 0.00 H new ATOM 0 HG13 VAL A 91 13.973 -15.788 -4.610 1.00 0.00 H new ATOM 0 HG21 VAL A 91 12.896 -18.357 -3.342 1.00 0.00 H new ATOM 0 HG22 VAL A 91 13.342 -16.909 -2.409 1.00 0.00 H new ATOM 0 HG23 VAL A 91 11.718 -17.616 -2.234 1.00 0.00 H new ATOM 1345 N THR A 92 10.214 -15.320 -1.472 1.00 0.00 N ATOM 1346 CA THR A 92 9.074 -15.542 -0.553 1.00 0.00 C ATOM 1347 C THR A 92 8.203 -14.281 -0.331 1.00 0.00 C ATOM 1348 O THR A 92 7.379 -14.208 0.583 1.00 0.00 O ATOM 1349 CB THR A 92 9.619 -16.165 0.748 1.00 0.00 C ATOM 1350 OG1 THR A 92 8.597 -16.744 1.534 1.00 0.00 O ATOM 1351 CG2 THR A 92 10.404 -15.151 1.573 1.00 0.00 C ATOM 0 H THR A 92 11.077 -15.103 -0.974 1.00 0.00 H new ATOM 0 HA THR A 92 8.374 -16.241 -1.011 1.00 0.00 H new ATOM 0 HB THR A 92 10.297 -16.961 0.442 1.00 0.00 H new ATOM 0 HG1 THR A 92 7.818 -16.149 1.548 1.00 0.00 H new ATOM 0 HG21 THR A 92 10.772 -15.628 2.482 1.00 0.00 H new ATOM 0 HG22 THR A 92 11.248 -14.782 0.990 1.00 0.00 H new ATOM 0 HG23 THR A 92 9.754 -14.317 1.838 1.00 0.00 H new ATOM 1359 N GLN A 93 8.395 -13.257 -1.173 1.00 0.00 N ATOM 1360 CA GLN A 93 7.675 -11.977 -1.140 1.00 0.00 C ATOM 1361 C GLN A 93 6.186 -12.120 -1.511 1.00 0.00 C ATOM 1362 O GLN A 93 5.775 -13.124 -2.099 1.00 0.00 O ATOM 1363 CB GLN A 93 8.363 -10.995 -2.104 1.00 0.00 C ATOM 1364 CG GLN A 93 9.814 -10.662 -1.732 1.00 0.00 C ATOM 1365 CD GLN A 93 9.991 -10.001 -0.364 1.00 0.00 C ATOM 1366 OE1 GLN A 93 9.095 -9.395 0.216 1.00 0.00 O ATOM 1367 NE2 GLN A 93 11.174 -10.094 0.197 1.00 0.00 N ATOM 0 H GLN A 93 9.083 -13.299 -1.925 1.00 0.00 H new ATOM 0 HA GLN A 93 7.708 -11.602 -0.117 1.00 0.00 H new ATOM 0 HB2 GLN A 93 8.345 -11.417 -3.109 1.00 0.00 H new ATOM 0 HB3 GLN A 93 7.786 -10.071 -2.136 1.00 0.00 H new ATOM 0 HG2 GLN A 93 10.400 -11.581 -1.754 1.00 0.00 H new ATOM 0 HG3 GLN A 93 10.227 -10.002 -2.495 1.00 0.00 H new ATOM 0 HE21 GLN A 93 11.925 -10.596 -0.277 1.00 0.00 H new ATOM 0 HE22 GLN A 93 11.342 -9.665 1.107 1.00 0.00 H new ATOM 1376 N GLU A 94 5.372 -11.097 -1.211 1.00 0.00 N ATOM 1377 CA GLU A 94 3.934 -11.120 -1.530 1.00 0.00 C ATOM 1378 C GLU A 94 3.654 -11.186 -3.042 1.00 0.00 C ATOM 1379 O GLU A 94 2.713 -11.868 -3.452 1.00 0.00 O ATOM 1380 CB GLU A 94 3.168 -9.962 -0.869 1.00 0.00 C ATOM 1381 CG GLU A 94 3.630 -8.539 -1.199 1.00 0.00 C ATOM 1382 CD GLU A 94 2.636 -7.506 -0.628 1.00 0.00 C ATOM 1383 OE1 GLU A 94 2.699 -7.200 0.590 1.00 0.00 O ATOM 1384 OE2 GLU A 94 1.777 -7.000 -1.390 1.00 0.00 O ATOM 0 H GLU A 94 5.683 -10.243 -0.748 1.00 0.00 H new ATOM 0 HA GLU A 94 3.556 -12.048 -1.101 1.00 0.00 H new ATOM 0 HB2 GLU A 94 2.118 -10.049 -1.147 1.00 0.00 H new ATOM 0 HB3 GLU A 94 3.224 -10.093 0.212 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.623 -8.366 -0.783 1.00 0.00 H new ATOM 0 HG3 GLU A 94 3.711 -8.417 -2.279 1.00 0.00 H new ATOM 1391 N ILE A 95 4.492 -10.537 -3.869 1.00 0.00 N ATOM 1392 CA ILE A 95 4.478 -10.689 -5.335 1.00 0.00 C ATOM 1393 C ILE A 95 5.908 -10.886 -5.858 1.00 0.00 C ATOM 1394 O ILE A 95 6.797 -10.073 -5.599 1.00 0.00 O ATOM 1395 CB ILE A 95 3.757 -9.503 -6.031 1.00 0.00 C ATOM 1396 CG1 ILE A 95 2.360 -9.251 -5.407 1.00 0.00 C ATOM 1397 CG2 ILE A 95 3.647 -9.769 -7.546 1.00 0.00 C ATOM 1398 CD1 ILE A 95 1.568 -8.086 -6.005 1.00 0.00 C ATOM 0 H ILE A 95 5.204 -9.887 -3.536 1.00 0.00 H new ATOM 0 HA ILE A 95 3.903 -11.581 -5.583 1.00 0.00 H new ATOM 0 HB ILE A 95 4.349 -8.601 -5.877 1.00 0.00 H new ATOM 0 HG12 ILE A 95 1.767 -10.160 -5.509 1.00 0.00 H new ATOM 0 HG13 ILE A 95 2.486 -9.071 -4.339 1.00 0.00 H new ATOM 0 HG21 ILE A 95 3.140 -8.932 -8.026 1.00 0.00 H new ATOM 0 HG22 ILE A 95 4.645 -9.880 -7.969 1.00 0.00 H new ATOM 0 HG23 ILE A 95 3.078 -10.683 -7.715 1.00 0.00 H new ATOM 0 HD11 ILE A 95 0.608 -7.999 -5.496 1.00 0.00 H new ATOM 0 HD12 ILE A 95 2.131 -7.161 -5.879 1.00 0.00 H new ATOM 0 HD13 ILE A 95 1.400 -8.267 -7.067 1.00 0.00 H new ATOM 1410 N PHE A 96 6.123 -11.955 -6.627 1.00 0.00 N ATOM 1411 CA PHE A 96 7.373 -12.239 -7.340 1.00 0.00 C ATOM 1412 C PHE A 96 7.110 -12.448 -8.841 1.00 0.00 C ATOM 1413 O PHE A 96 6.058 -12.962 -9.229 1.00 0.00 O ATOM 1414 CB PHE A 96 8.076 -13.451 -6.709 1.00 0.00 C ATOM 1415 CG PHE A 96 9.476 -13.701 -7.248 1.00 0.00 C ATOM 1416 CD1 PHE A 96 10.578 -13.070 -6.640 1.00 0.00 C ATOM 1417 CD2 PHE A 96 9.688 -14.540 -8.359 1.00 0.00 C ATOM 1418 CE1 PHE A 96 11.877 -13.271 -7.142 1.00 0.00 C ATOM 1419 CE2 PHE A 96 10.985 -14.740 -8.863 1.00 0.00 C ATOM 1420 CZ PHE A 96 12.080 -14.104 -8.255 1.00 0.00 C ATOM 0 H PHE A 96 5.411 -12.670 -6.776 1.00 0.00 H new ATOM 0 HA PHE A 96 8.038 -11.380 -7.247 1.00 0.00 H new ATOM 0 HB2 PHE A 96 8.133 -13.304 -5.630 1.00 0.00 H new ATOM 0 HB3 PHE A 96 7.468 -14.340 -6.878 1.00 0.00 H new ATOM 0 HD1 PHE A 96 10.426 -12.429 -5.784 1.00 0.00 H new ATOM 0 HD2 PHE A 96 8.849 -15.033 -8.827 1.00 0.00 H new ATOM 0 HE1 PHE A 96 12.719 -12.785 -6.671 1.00 0.00 H new ATOM 0 HE2 PHE A 96 11.139 -15.382 -9.717 1.00 0.00 H new ATOM 0 HZ PHE A 96 13.077 -14.255 -8.643 1.00 0.00 H new ATOM 1430 N GLU A 97 8.070 -12.074 -9.686 1.00 0.00 N ATOM 1431 CA GLU A 97 8.020 -12.268 -11.142 1.00 0.00 C ATOM 1432 C GLU A 97 9.383 -12.653 -11.727 1.00 0.00 C ATOM 1433 O GLU A 97 10.429 -12.409 -11.129 1.00 0.00 O ATOM 1434 CB GLU A 97 7.622 -10.960 -11.849 1.00 0.00 C ATOM 1435 CG GLU A 97 6.210 -10.420 -11.611 1.00 0.00 C ATOM 1436 CD GLU A 97 5.091 -11.372 -12.088 1.00 0.00 C ATOM 1437 OE1 GLU A 97 5.343 -12.308 -12.885 1.00 0.00 O ATOM 1438 OE2 GLU A 97 3.918 -11.132 -11.716 1.00 0.00 O ATOM 0 H GLU A 97 8.926 -11.616 -9.374 1.00 0.00 H new ATOM 0 HA GLU A 97 7.295 -13.065 -11.305 1.00 0.00 H new ATOM 0 HB2 GLU A 97 8.331 -10.188 -11.549 1.00 0.00 H new ATOM 0 HB3 GLU A 97 7.747 -11.108 -12.922 1.00 0.00 H new ATOM 0 HG2 GLU A 97 6.080 -10.226 -10.546 1.00 0.00 H new ATOM 0 HG3 GLU A 97 6.105 -9.464 -12.125 1.00 0.00 H new ATOM 1445 N ASP A 98 9.364 -13.196 -12.944 1.00 0.00 N ATOM 1446 CA ASP A 98 10.547 -13.402 -13.778 1.00 0.00 C ATOM 1447 C ASP A 98 10.213 -12.987 -15.221 1.00 0.00 C ATOM 1448 O ASP A 98 9.174 -13.389 -15.757 1.00 0.00 O ATOM 1449 CB ASP A 98 11.074 -14.835 -13.712 1.00 0.00 C ATOM 1450 CG ASP A 98 12.311 -14.974 -14.610 1.00 0.00 C ATOM 1451 OD1 ASP A 98 12.150 -15.269 -15.815 1.00 0.00 O ATOM 1452 OD2 ASP A 98 13.447 -14.772 -14.114 1.00 0.00 O ATOM 0 H ASP A 98 8.502 -13.513 -13.388 1.00 0.00 H new ATOM 0 HA ASP A 98 11.354 -12.778 -13.394 1.00 0.00 H new ATOM 0 HB2 ASP A 98 11.329 -15.092 -12.684 1.00 0.00 H new ATOM 0 HB3 ASP A 98 10.300 -15.532 -14.032 1.00 0.00 H new ATOM 1457 N TRP A 99 11.072 -12.171 -15.836 1.00 0.00 N ATOM 1458 CA TRP A 99 10.944 -11.685 -17.213 1.00 0.00 C ATOM 1459 C TRP A 99 11.983 -12.348 -18.130 1.00 0.00 C ATOM 1460 O TRP A 99 13.168 -12.417 -17.804 1.00 0.00 O ATOM 1461 CB TRP A 99 11.051 -10.147 -17.229 1.00 0.00 C ATOM 1462 CG TRP A 99 10.014 -9.368 -16.463 1.00 0.00 C ATOM 1463 CD1 TRP A 99 8.876 -9.859 -15.913 1.00 0.00 C ATOM 1464 CD2 TRP A 99 9.988 -7.931 -16.184 1.00 0.00 C ATOM 1465 NE1 TRP A 99 8.180 -8.846 -15.282 1.00 0.00 N ATOM 1466 CE2 TRP A 99 8.803 -7.634 -15.447 1.00 0.00 C ATOM 1467 CE3 TRP A 99 10.819 -6.832 -16.512 1.00 0.00 C ATOM 1468 CZ2 TRP A 99 8.460 -6.336 -15.062 1.00 0.00 C ATOM 1469 CZ3 TRP A 99 10.484 -5.518 -16.124 1.00 0.00 C ATOM 1470 CH2 TRP A 99 9.302 -5.271 -15.409 1.00 0.00 C ATOM 0 H TRP A 99 11.908 -11.817 -15.371 1.00 0.00 H new ATOM 0 HA TRP A 99 9.964 -11.961 -17.604 1.00 0.00 H new ATOM 0 HB2 TRP A 99 12.032 -9.874 -16.839 1.00 0.00 H new ATOM 0 HB3 TRP A 99 11.018 -9.819 -18.268 1.00 0.00 H new ATOM 0 HD1 TRP A 99 8.560 -10.891 -15.961 1.00 0.00 H new ATOM 0 HE1 TRP A 99 7.314 -8.981 -14.760 1.00 0.00 H new ATOM 0 HE3 TRP A 99 11.727 -7.004 -17.070 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 7.554 -6.155 -14.502 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 11.140 -4.699 -16.378 1.00 0.00 H new ATOM 0 HH2 TRP A 99 9.042 -4.262 -15.127 1.00 0.00 H new ATOM 1481 N GLN A 100 11.553 -12.787 -19.318 1.00 0.00 N ATOM 1482 CA GLN A 100 12.366 -13.544 -20.290 1.00 0.00 C ATOM 1483 C GLN A 100 13.018 -12.594 -21.324 1.00 0.00 C ATOM 1484 O GLN A 100 12.980 -12.821 -22.536 1.00 0.00 O ATOM 1485 CB GLN A 100 11.529 -14.682 -20.917 1.00 0.00 C ATOM 1486 CG GLN A 100 11.034 -15.749 -19.915 1.00 0.00 C ATOM 1487 CD GLN A 100 9.903 -15.268 -19.001 1.00 0.00 C ATOM 1488 OE1 GLN A 100 8.830 -14.881 -19.448 1.00 0.00 O ATOM 1489 NE2 GLN A 100 10.093 -15.225 -17.701 1.00 0.00 N ATOM 0 H GLN A 100 10.601 -12.623 -19.644 1.00 0.00 H new ATOM 0 HA GLN A 100 13.197 -14.027 -19.776 1.00 0.00 H new ATOM 0 HB2 GLN A 100 10.665 -14.245 -21.418 1.00 0.00 H new ATOM 0 HB3 GLN A 100 12.127 -15.174 -21.684 1.00 0.00 H new ATOM 0 HG2 GLN A 100 10.692 -16.623 -20.470 1.00 0.00 H new ATOM 0 HG3 GLN A 100 11.873 -16.071 -19.299 1.00 0.00 H new ATOM 0 HE21 GLN A 100 10.978 -15.542 -17.304 1.00 0.00 H new ATOM 0 HE22 GLN A 100 9.356 -14.875 -17.089 1.00 0.00 H new ATOM 1498 N LEU A 101 13.563 -11.482 -20.823 1.00 0.00 N ATOM 1499 CA LEU A 101 14.112 -10.369 -21.608 1.00 0.00 C ATOM 1500 C LEU A 101 15.583 -10.590 -22.001 1.00 0.00 C ATOM 1501 O LEU A 101 16.351 -11.216 -21.272 1.00 0.00 O ATOM 1502 CB LEU A 101 13.936 -9.059 -20.799 1.00 0.00 C ATOM 1503 CG LEU A 101 12.746 -8.145 -21.151 1.00 0.00 C ATOM 1504 CD1 LEU A 101 13.110 -7.226 -22.314 1.00 0.00 C ATOM 1505 CD2 LEU A 101 11.456 -8.893 -21.502 1.00 0.00 C ATOM 0 H LEU A 101 13.638 -11.325 -19.818 1.00 0.00 H new ATOM 0 HA LEU A 101 13.563 -10.303 -22.547 1.00 0.00 H new ATOM 0 HB2 LEU A 101 13.852 -9.326 -19.746 1.00 0.00 H new ATOM 0 HB3 LEU A 101 14.850 -8.474 -20.908 1.00 0.00 H new ATOM 0 HG LEU A 101 12.546 -7.575 -20.244 1.00 0.00 H new ATOM 0 HD11 LEU A 101 12.260 -6.586 -22.552 1.00 0.00 H new ATOM 0 HD12 LEU A 101 13.963 -6.608 -22.036 1.00 0.00 H new ATOM 0 HD13 LEU A 101 13.367 -7.827 -23.186 1.00 0.00 H new ATOM 0 HD21 LEU A 101 10.671 -8.174 -21.736 1.00 0.00 H new ATOM 0 HD22 LEU A 101 11.631 -9.534 -22.366 1.00 0.00 H new ATOM 0 HD23 LEU A 101 11.147 -9.504 -20.654 1.00 0.00 H new ATOM 1517 N GLU A 102 15.974 -10.012 -23.137 1.00 0.00 N ATOM 1518 CA GLU A 102 17.364 -9.909 -23.590 1.00 0.00 C ATOM 1519 C GLU A 102 17.989 -8.590 -23.111 1.00 0.00 C ATOM 1520 O GLU A 102 17.280 -7.662 -22.714 1.00 0.00 O ATOM 1521 CB GLU A 102 17.428 -10.059 -25.123 1.00 0.00 C ATOM 1522 CG GLU A 102 16.871 -8.864 -25.909 1.00 0.00 C ATOM 1523 CD GLU A 102 16.975 -9.131 -27.423 1.00 0.00 C ATOM 1524 OE1 GLU A 102 18.097 -9.029 -27.977 1.00 0.00 O ATOM 1525 OE2 GLU A 102 15.941 -9.446 -28.062 1.00 0.00 O ATOM 0 H GLU A 102 15.313 -9.589 -23.788 1.00 0.00 H new ATOM 0 HA GLU A 102 17.949 -10.718 -23.153 1.00 0.00 H new ATOM 0 HB2 GLU A 102 18.466 -10.217 -25.416 1.00 0.00 H new ATOM 0 HB3 GLU A 102 16.876 -10.954 -25.410 1.00 0.00 H new ATOM 0 HG2 GLU A 102 15.831 -8.690 -25.633 1.00 0.00 H new ATOM 0 HG3 GLU A 102 17.424 -7.960 -25.652 1.00 0.00 H new ATOM 1532 N ASP A 103 19.315 -8.483 -23.177 1.00 0.00 N ATOM 1533 CA ASP A 103 20.032 -7.242 -22.857 1.00 0.00 C ATOM 1534 C ASP A 103 20.498 -6.499 -24.120 1.00 0.00 C ATOM 1535 O ASP A 103 21.086 -7.123 -25.008 1.00 0.00 O ATOM 1536 CB ASP A 103 21.216 -7.519 -21.924 1.00 0.00 C ATOM 1537 CG ASP A 103 21.218 -6.500 -20.799 1.00 0.00 C ATOM 1538 OD1 ASP A 103 20.454 -6.689 -19.827 1.00 0.00 O ATOM 1539 OD2 ASP A 103 21.923 -5.482 -20.911 1.00 0.00 O ATOM 0 H ASP A 103 19.926 -9.252 -23.453 1.00 0.00 H new ATOM 0 HA ASP A 103 19.327 -6.591 -22.340 1.00 0.00 H new ATOM 0 HB2 ASP A 103 21.144 -8.527 -21.516 1.00 0.00 H new ATOM 0 HB3 ASP A 103 22.152 -7.466 -22.480 1.00 0.00 H new ATOM 1544 N PRO A 104 20.303 -5.169 -24.215 1.00 0.00 N ATOM 1545 CA PRO A 104 20.786 -4.400 -25.355 1.00 0.00 C ATOM 1546 C PRO A 104 22.254 -3.946 -25.204 1.00 0.00 C ATOM 1547 O PRO A 104 22.843 -3.526 -26.193 1.00 0.00 O ATOM 1548 CB PRO A 104 19.801 -3.238 -25.448 1.00 0.00 C ATOM 1549 CG PRO A 104 19.502 -2.931 -23.981 1.00 0.00 C ATOM 1550 CD PRO A 104 19.505 -4.320 -23.335 1.00 0.00 C ATOM 0 HA PRO A 104 20.815 -4.990 -26.271 1.00 0.00 H new ATOM 0 HB2 PRO A 104 20.235 -2.380 -25.961 1.00 0.00 H new ATOM 0 HB3 PRO A 104 18.900 -3.514 -25.995 1.00 0.00 H new ATOM 0 HG2 PRO A 104 20.258 -2.279 -23.542 1.00 0.00 H new ATOM 0 HG3 PRO A 104 18.541 -2.431 -23.860 1.00 0.00 H new ATOM 0 HD2 PRO A 104 19.933 -4.284 -22.333 1.00 0.00 H new ATOM 0 HD3 PRO A 104 18.491 -4.706 -23.234 1.00 0.00 H new ATOM 1558 N ASP A 105 22.859 -4.059 -24.011 1.00 0.00 N ATOM 1559 CA ASP A 105 24.201 -3.555 -23.650 1.00 0.00 C ATOM 1560 C ASP A 105 25.303 -3.851 -24.696 1.00 0.00 C ATOM 1561 O ASP A 105 26.108 -2.971 -25.018 1.00 0.00 O ATOM 1562 CB ASP A 105 24.548 -4.161 -22.279 1.00 0.00 C ATOM 1563 CG ASP A 105 25.942 -3.799 -21.730 1.00 0.00 C ATOM 1564 OD1 ASP A 105 26.959 -4.350 -22.212 1.00 0.00 O ATOM 1565 OD2 ASP A 105 26.039 -3.046 -20.731 1.00 0.00 O ATOM 0 H ASP A 105 22.404 -4.529 -23.228 1.00 0.00 H new ATOM 0 HA ASP A 105 24.166 -2.466 -23.616 1.00 0.00 H new ATOM 0 HB2 ASP A 105 23.797 -3.839 -21.558 1.00 0.00 H new ATOM 0 HB3 ASP A 105 24.475 -5.246 -22.351 1.00 0.00 H new ATOM 1570 N GLY A 106 25.305 -5.069 -25.255 1.00 0.00 N ATOM 1571 CA GLY A 106 26.258 -5.532 -26.273 1.00 0.00 C ATOM 1572 C GLY A 106 25.743 -5.538 -27.722 1.00 0.00 C ATOM 1573 O GLY A 106 26.340 -6.210 -28.565 1.00 0.00 O ATOM 0 H GLY A 106 24.621 -5.782 -25.003 1.00 0.00 H new ATOM 0 HA2 GLY A 106 27.145 -4.901 -26.226 1.00 0.00 H new ATOM 0 HA3 GLY A 106 26.572 -6.543 -26.015 1.00 0.00 H new ATOM 1577 N GLN A 107 24.624 -4.861 -28.018 1.00 0.00 N ATOM 1578 CA GLN A 107 23.893 -4.946 -29.298 1.00 0.00 C ATOM 1579 C GLN A 107 23.650 -3.576 -29.979 1.00 0.00 C ATOM 1580 O GLN A 107 24.186 -2.546 -29.562 1.00 0.00 O ATOM 1581 CB GLN A 107 22.587 -5.732 -29.066 1.00 0.00 C ATOM 1582 CG GLN A 107 22.825 -7.171 -28.581 1.00 0.00 C ATOM 1583 CD GLN A 107 21.551 -7.999 -28.701 1.00 0.00 C ATOM 1584 OE1 GLN A 107 21.261 -8.595 -29.731 1.00 0.00 O ATOM 1585 NE2 GLN A 107 20.721 -8.031 -27.686 1.00 0.00 N ATOM 0 H GLN A 107 24.187 -4.219 -27.356 1.00 0.00 H new ATOM 0 HA GLN A 107 24.521 -5.480 -30.011 1.00 0.00 H new ATOM 0 HB2 GLN A 107 21.978 -5.204 -28.332 1.00 0.00 H new ATOM 0 HB3 GLN A 107 22.016 -5.758 -29.994 1.00 0.00 H new ATOM 0 HG2 GLN A 107 23.620 -7.631 -29.168 1.00 0.00 H new ATOM 0 HG3 GLN A 107 23.161 -7.159 -27.544 1.00 0.00 H new ATOM 0 HE21 GLN A 107 20.952 -7.539 -26.823 1.00 0.00 H new ATOM 0 HE22 GLN A 107 19.845 -8.548 -27.760 1.00 0.00 H new ATOM 1594 N SER A 108 22.894 -3.577 -31.089 1.00 0.00 N ATOM 1595 CA SER A 108 22.657 -2.414 -31.963 1.00 0.00 C ATOM 1596 C SER A 108 21.745 -1.343 -31.358 1.00 0.00 C ATOM 1597 O SER A 108 20.988 -1.586 -30.419 1.00 0.00 O ATOM 1598 CB SER A 108 22.080 -2.882 -33.307 1.00 0.00 C ATOM 1599 OG SER A 108 20.708 -3.202 -33.176 1.00 0.00 O ATOM 0 H SER A 108 22.414 -4.416 -31.415 1.00 0.00 H new ATOM 0 HA SER A 108 23.630 -1.941 -32.098 1.00 0.00 H new ATOM 0 HB2 SER A 108 22.207 -2.100 -34.055 1.00 0.00 H new ATOM 0 HB3 SER A 108 22.630 -3.754 -33.661 1.00 0.00 H new ATOM 0 HG SER A 108 20.357 -3.497 -34.042 1.00 0.00 H new ATOM 1605 N LEU A 109 21.754 -0.150 -31.961 1.00 0.00 N ATOM 1606 CA LEU A 109 20.884 0.970 -31.576 1.00 0.00 C ATOM 1607 C LEU A 109 19.410 0.665 -31.875 1.00 0.00 C ATOM 1608 O LEU A 109 18.534 1.029 -31.095 1.00 0.00 O ATOM 1609 CB LEU A 109 21.368 2.266 -32.262 1.00 0.00 C ATOM 1610 CG LEU A 109 22.798 2.749 -31.924 1.00 0.00 C ATOM 1611 CD1 LEU A 109 23.099 2.684 -30.426 1.00 0.00 C ATOM 1612 CD2 LEU A 109 23.917 1.996 -32.651 1.00 0.00 C ATOM 0 H LEU A 109 22.374 0.070 -32.741 1.00 0.00 H new ATOM 0 HA LEU A 109 20.950 1.116 -30.498 1.00 0.00 H new ATOM 0 HB2 LEU A 109 21.306 2.122 -33.341 1.00 0.00 H new ATOM 0 HB3 LEU A 109 20.672 3.065 -32.006 1.00 0.00 H new ATOM 0 HG LEU A 109 22.795 3.781 -32.274 1.00 0.00 H new ATOM 0 HD11 LEU A 109 24.115 3.034 -30.244 1.00 0.00 H new ATOM 0 HD12 LEU A 109 22.395 3.317 -29.886 1.00 0.00 H new ATOM 0 HD13 LEU A 109 23.002 1.655 -30.080 1.00 0.00 H new ATOM 0 HD21 LEU A 109 24.883 2.403 -32.352 1.00 0.00 H new ATOM 0 HD22 LEU A 109 23.872 0.938 -32.391 1.00 0.00 H new ATOM 0 HD23 LEU A 109 23.793 2.110 -33.728 1.00 0.00 H new ATOM 1624 N GLU A 110 19.132 -0.092 -32.940 1.00 0.00 N ATOM 1625 CA GLU A 110 17.791 -0.629 -33.208 1.00 0.00 C ATOM 1626 C GLU A 110 17.372 -1.641 -32.130 1.00 0.00 C ATOM 1627 O GLU A 110 16.213 -1.643 -31.716 1.00 0.00 O ATOM 1628 CB GLU A 110 17.741 -1.268 -34.604 1.00 0.00 C ATOM 1629 CG GLU A 110 17.912 -0.231 -35.723 1.00 0.00 C ATOM 1630 CD GLU A 110 17.773 -0.887 -37.110 1.00 0.00 C ATOM 1631 OE1 GLU A 110 16.633 -0.992 -37.626 1.00 0.00 O ATOM 1632 OE2 GLU A 110 18.802 -1.295 -37.703 1.00 0.00 O ATOM 0 H GLU A 110 19.827 -0.351 -33.640 1.00 0.00 H new ATOM 0 HA GLU A 110 17.082 0.198 -33.179 1.00 0.00 H new ATOM 0 HB2 GLU A 110 18.525 -2.021 -34.685 1.00 0.00 H new ATOM 0 HB3 GLU A 110 16.789 -1.784 -34.732 1.00 0.00 H new ATOM 0 HG2 GLU A 110 17.165 0.555 -35.612 1.00 0.00 H new ATOM 0 HG3 GLU A 110 18.890 0.244 -35.638 1.00 0.00 H new ATOM 1639 N VAL A 111 18.306 -2.433 -31.586 1.00 0.00 N ATOM 1640 CA VAL A 111 18.024 -3.327 -30.450 1.00 0.00 C ATOM 1641 C VAL A 111 17.774 -2.545 -29.158 1.00 0.00 C ATOM 1642 O VAL A 111 16.792 -2.848 -28.486 1.00 0.00 O ATOM 1643 CB VAL A 111 19.084 -4.430 -30.285 1.00 0.00 C ATOM 1644 CG1 VAL A 111 18.896 -5.223 -28.987 1.00 0.00 C ATOM 1645 CG2 VAL A 111 18.984 -5.447 -31.432 1.00 0.00 C ATOM 0 H VAL A 111 19.270 -2.474 -31.916 1.00 0.00 H new ATOM 0 HA VAL A 111 17.095 -3.847 -30.683 1.00 0.00 H new ATOM 0 HB VAL A 111 20.048 -3.921 -30.277 1.00 0.00 H new ATOM 0 HG11 VAL A 111 19.667 -5.990 -28.914 1.00 0.00 H new ATOM 0 HG12 VAL A 111 18.974 -4.549 -28.134 1.00 0.00 H new ATOM 0 HG13 VAL A 111 17.914 -5.695 -28.988 1.00 0.00 H new ATOM 0 HG21 VAL A 111 19.741 -6.220 -31.300 1.00 0.00 H new ATOM 0 HG22 VAL A 111 17.994 -5.904 -31.428 1.00 0.00 H new ATOM 0 HG23 VAL A 111 19.146 -4.940 -32.383 1.00 0.00 H new ATOM 1655 N PHE A 112 18.539 -1.494 -28.829 1.00 0.00 N ATOM 1656 CA PHE A 112 18.198 -0.589 -27.710 1.00 0.00 C ATOM 1657 C PHE A 112 16.789 -0.004 -27.879 1.00 0.00 C ATOM 1658 O PHE A 112 15.967 -0.099 -26.968 1.00 0.00 O ATOM 1659 CB PHE A 112 19.221 0.560 -27.570 1.00 0.00 C ATOM 1660 CG PHE A 112 20.547 0.211 -26.915 1.00 0.00 C ATOM 1661 CD1 PHE A 112 20.645 0.116 -25.511 1.00 0.00 C ATOM 1662 CD2 PHE A 112 21.695 0.006 -27.699 1.00 0.00 C ATOM 1663 CE1 PHE A 112 21.865 -0.248 -24.912 1.00 0.00 C ATOM 1664 CE2 PHE A 112 22.914 -0.346 -27.103 1.00 0.00 C ATOM 1665 CZ PHE A 112 22.996 -0.487 -25.711 1.00 0.00 C ATOM 0 H PHE A 112 19.399 -1.246 -29.319 1.00 0.00 H new ATOM 0 HA PHE A 112 18.227 -1.190 -26.801 1.00 0.00 H new ATOM 0 HB2 PHE A 112 19.426 0.958 -28.564 1.00 0.00 H new ATOM 0 HB3 PHE A 112 18.757 1.362 -26.995 1.00 0.00 H new ATOM 0 HD1 PHE A 112 19.782 0.323 -24.895 1.00 0.00 H new ATOM 0 HD2 PHE A 112 21.638 0.121 -28.771 1.00 0.00 H new ATOM 0 HE1 PHE A 112 21.932 -0.344 -23.838 1.00 0.00 H new ATOM 0 HE2 PHE A 112 23.789 -0.508 -27.716 1.00 0.00 H new ATOM 0 HZ PHE A 112 23.929 -0.779 -25.252 1.00 0.00 H new ATOM 1675 N ARG A 113 16.469 0.528 -29.066 1.00 0.00 N ATOM 1676 CA ARG A 113 15.159 1.139 -29.367 1.00 0.00 C ATOM 1677 C ARG A 113 14.001 0.127 -29.444 1.00 0.00 C ATOM 1678 O ARG A 113 12.854 0.515 -29.245 1.00 0.00 O ATOM 1679 CB ARG A 113 15.277 1.991 -30.647 1.00 0.00 C ATOM 1680 CG ARG A 113 16.152 3.242 -30.427 1.00 0.00 C ATOM 1681 CD ARG A 113 16.232 4.112 -31.687 1.00 0.00 C ATOM 1682 NE ARG A 113 16.796 5.448 -31.386 1.00 0.00 N ATOM 1683 CZ ARG A 113 17.701 6.130 -32.060 1.00 0.00 C ATOM 1684 NH1 ARG A 113 18.275 5.667 -33.134 1.00 0.00 N ATOM 1685 NH2 ARG A 113 18.037 7.318 -31.654 1.00 0.00 N ATOM 0 H ARG A 113 17.116 0.549 -29.855 1.00 0.00 H new ATOM 0 HA ARG A 113 14.896 1.783 -28.528 1.00 0.00 H new ATOM 0 HB2 ARG A 113 15.703 1.386 -31.448 1.00 0.00 H new ATOM 0 HB3 ARG A 113 14.283 2.296 -30.973 1.00 0.00 H new ATOM 0 HG2 ARG A 113 15.744 3.830 -29.605 1.00 0.00 H new ATOM 0 HG3 ARG A 113 17.156 2.936 -30.133 1.00 0.00 H new ATOM 0 HD2 ARG A 113 16.849 3.615 -32.436 1.00 0.00 H new ATOM 0 HD3 ARG A 113 15.237 4.224 -32.118 1.00 0.00 H new ATOM 0 HE ARG A 113 16.437 5.901 -30.546 1.00 0.00 H new ATOM 0 HH11 ARG A 113 18.029 4.741 -33.485 1.00 0.00 H new ATOM 0 HH12 ARG A 113 18.970 6.230 -33.624 1.00 0.00 H new ATOM 0 HH21 ARG A 113 17.602 7.714 -30.821 1.00 0.00 H new ATOM 0 HH22 ARG A 113 18.736 7.854 -32.168 1.00 0.00 H new ATOM 1699 N THR A 114 14.290 -1.163 -29.633 1.00 0.00 N ATOM 1700 CA THR A 114 13.318 -2.274 -29.553 1.00 0.00 C ATOM 1701 C THR A 114 13.113 -2.755 -28.114 1.00 0.00 C ATOM 1702 O THR A 114 11.977 -2.858 -27.646 1.00 0.00 O ATOM 1703 CB THR A 114 13.751 -3.449 -30.456 1.00 0.00 C ATOM 1704 OG1 THR A 114 13.870 -3.015 -31.792 1.00 0.00 O ATOM 1705 CG2 THR A 114 12.739 -4.598 -30.466 1.00 0.00 C ATOM 0 H THR A 114 15.234 -1.481 -29.853 1.00 0.00 H new ATOM 0 HA THR A 114 12.363 -1.889 -29.910 1.00 0.00 H new ATOM 0 HB THR A 114 14.698 -3.801 -30.048 1.00 0.00 H new ATOM 0 HG1 THR A 114 14.642 -2.417 -31.874 1.00 0.00 H new ATOM 0 HG21 THR A 114 13.099 -5.394 -31.118 1.00 0.00 H new ATOM 0 HG22 THR A 114 12.618 -4.985 -29.454 1.00 0.00 H new ATOM 0 HG23 THR A 114 11.779 -4.234 -30.833 1.00 0.00 H new ATOM 1713 N VAL A 115 14.201 -3.037 -27.387 1.00 0.00 N ATOM 1714 CA VAL A 115 14.175 -3.627 -26.032 1.00 0.00 C ATOM 1715 C VAL A 115 13.662 -2.638 -24.994 1.00 0.00 C ATOM 1716 O VAL A 115 12.936 -3.053 -24.096 1.00 0.00 O ATOM 1717 CB VAL A 115 15.546 -4.245 -25.671 1.00 0.00 C ATOM 1718 CG1 VAL A 115 15.575 -4.806 -24.242 1.00 0.00 C ATOM 1719 CG2 VAL A 115 15.864 -5.419 -26.605 1.00 0.00 C ATOM 0 H VAL A 115 15.146 -2.860 -27.726 1.00 0.00 H new ATOM 0 HA VAL A 115 13.458 -4.448 -26.030 1.00 0.00 H new ATOM 0 HB VAL A 115 16.274 -3.439 -25.768 1.00 0.00 H new ATOM 0 HG11 VAL A 115 16.559 -5.229 -24.037 1.00 0.00 H new ATOM 0 HG12 VAL A 115 15.369 -4.005 -23.532 1.00 0.00 H new ATOM 0 HG13 VAL A 115 14.818 -5.584 -24.141 1.00 0.00 H new ATOM 0 HG21 VAL A 115 16.832 -5.844 -26.339 1.00 0.00 H new ATOM 0 HG22 VAL A 115 15.093 -6.183 -26.505 1.00 0.00 H new ATOM 0 HG23 VAL A 115 15.894 -5.066 -27.636 1.00 0.00 H new ATOM 1729 N ARG A 116 13.887 -1.329 -25.169 1.00 0.00 N ATOM 1730 CA ARG A 116 13.302 -0.295 -24.286 1.00 0.00 C ATOM 1731 C ARG A 116 11.777 -0.391 -24.190 1.00 0.00 C ATOM 1732 O ARG A 116 11.225 -0.358 -23.099 1.00 0.00 O ATOM 1733 CB ARG A 116 13.803 1.096 -24.725 1.00 0.00 C ATOM 1734 CG ARG A 116 13.079 1.716 -25.927 1.00 0.00 C ATOM 1735 CD ARG A 116 13.720 3.033 -26.360 1.00 0.00 C ATOM 1736 NE ARG A 116 13.006 3.563 -27.542 1.00 0.00 N ATOM 1737 CZ ARG A 116 13.333 4.617 -28.264 1.00 0.00 C ATOM 1738 NH1 ARG A 116 14.363 5.344 -27.970 1.00 0.00 N ATOM 1739 NH2 ARG A 116 12.650 4.955 -29.314 1.00 0.00 N ATOM 0 H ARG A 116 14.472 -0.954 -25.916 1.00 0.00 H new ATOM 0 HA ARG A 116 13.646 -0.470 -23.267 1.00 0.00 H new ATOM 0 HB2 ARG A 116 13.713 1.778 -23.879 1.00 0.00 H new ATOM 0 HB3 ARG A 116 14.864 1.021 -24.963 1.00 0.00 H new ATOM 0 HG2 ARG A 116 13.093 1.014 -26.761 1.00 0.00 H new ATOM 0 HG3 ARG A 116 12.033 1.888 -25.672 1.00 0.00 H new ATOM 0 HD2 ARG A 116 13.681 3.755 -25.544 1.00 0.00 H new ATOM 0 HD3 ARG A 116 14.772 2.877 -26.597 1.00 0.00 H new ATOM 0 HE ARG A 116 12.168 3.058 -27.830 1.00 0.00 H new ATOM 0 HH11 ARG A 116 14.942 5.106 -27.165 1.00 0.00 H new ATOM 0 HH12 ARG A 116 14.596 6.155 -28.544 1.00 0.00 H new ATOM 0 HH21 ARG A 116 11.841 4.401 -29.596 1.00 0.00 H new ATOM 0 HH22 ARG A 116 12.922 5.774 -29.857 1.00 0.00 H new ATOM 1753 N GLY A 117 11.102 -0.625 -25.318 1.00 0.00 N ATOM 1754 CA GLY A 117 9.641 -0.773 -25.379 1.00 0.00 C ATOM 1755 C GLY A 117 9.152 -2.091 -24.777 1.00 0.00 C ATOM 1756 O GLY A 117 8.092 -2.117 -24.155 1.00 0.00 O ATOM 0 H GLY A 117 11.557 -0.719 -26.226 1.00 0.00 H new ATOM 0 HA2 GLY A 117 9.174 0.058 -24.850 1.00 0.00 H new ATOM 0 HA3 GLY A 117 9.317 -0.712 -26.418 1.00 0.00 H new ATOM 1760 N GLN A 118 9.961 -3.158 -24.848 1.00 0.00 N ATOM 1761 CA GLN A 118 9.654 -4.435 -24.195 1.00 0.00 C ATOM 1762 C GLN A 118 9.736 -4.270 -22.677 1.00 0.00 C ATOM 1763 O GLN A 118 8.788 -4.581 -21.968 1.00 0.00 O ATOM 1764 CB GLN A 118 10.560 -5.574 -24.718 1.00 0.00 C ATOM 1765 CG GLN A 118 10.642 -5.739 -26.248 1.00 0.00 C ATOM 1766 CD GLN A 118 9.352 -5.429 -27.010 1.00 0.00 C ATOM 1767 OE1 GLN A 118 8.342 -6.107 -26.887 1.00 0.00 O ATOM 1768 NE2 GLN A 118 9.342 -4.389 -27.822 1.00 0.00 N ATOM 0 H GLN A 118 10.844 -3.158 -25.359 1.00 0.00 H new ATOM 0 HA GLN A 118 8.634 -4.726 -24.447 1.00 0.00 H new ATOM 0 HB2 GLN A 118 11.568 -5.410 -24.338 1.00 0.00 H new ATOM 0 HB3 GLN A 118 10.208 -6.513 -24.292 1.00 0.00 H new ATOM 0 HG2 GLN A 118 11.432 -5.089 -26.625 1.00 0.00 H new ATOM 0 HG3 GLN A 118 10.939 -6.764 -26.471 1.00 0.00 H new ATOM 0 HE21 GLN A 118 10.180 -3.818 -27.930 1.00 0.00 H new ATOM 0 HE22 GLN A 118 8.496 -4.156 -28.342 1.00 0.00 H new ATOM 1777 N VAL A 119 10.814 -3.665 -22.175 1.00 0.00 N ATOM 1778 CA VAL A 119 10.959 -3.319 -20.743 1.00 0.00 C ATOM 1779 C VAL A 119 9.837 -2.382 -20.286 1.00 0.00 C ATOM 1780 O VAL A 119 9.259 -2.617 -19.231 1.00 0.00 O ATOM 1781 CB VAL A 119 12.350 -2.715 -20.469 1.00 0.00 C ATOM 1782 CG1 VAL A 119 12.518 -2.240 -19.018 1.00 0.00 C ATOM 1783 CG2 VAL A 119 13.452 -3.755 -20.727 1.00 0.00 C ATOM 0 H VAL A 119 11.617 -3.397 -22.743 1.00 0.00 H new ATOM 0 HA VAL A 119 10.873 -4.235 -20.159 1.00 0.00 H new ATOM 0 HB VAL A 119 12.436 -1.862 -21.142 1.00 0.00 H new ATOM 0 HG11 VAL A 119 13.517 -1.824 -18.885 1.00 0.00 H new ATOM 0 HG12 VAL A 119 11.774 -1.475 -18.797 1.00 0.00 H new ATOM 0 HG13 VAL A 119 12.383 -3.084 -18.341 1.00 0.00 H new ATOM 0 HG21 VAL A 119 14.427 -3.309 -20.528 1.00 0.00 H new ATOM 0 HG22 VAL A 119 13.304 -4.612 -20.070 1.00 0.00 H new ATOM 0 HG23 VAL A 119 13.408 -4.082 -21.766 1.00 0.00 H new ATOM 1793 N LYS A 120 9.455 -1.384 -21.096 1.00 0.00 N ATOM 1794 CA LYS A 120 8.324 -0.482 -20.815 1.00 0.00 C ATOM 1795 C LYS A 120 7.016 -1.245 -20.618 1.00 0.00 C ATOM 1796 O LYS A 120 6.383 -1.039 -19.596 1.00 0.00 O ATOM 1797 CB LYS A 120 8.226 0.591 -21.916 1.00 0.00 C ATOM 1798 CG LYS A 120 7.206 1.701 -21.614 1.00 0.00 C ATOM 1799 CD LYS A 120 5.835 1.503 -22.284 1.00 0.00 C ATOM 1800 CE LYS A 120 4.967 2.750 -22.048 1.00 0.00 C ATOM 1801 NZ LYS A 120 3.619 2.612 -22.663 1.00 0.00 N ATOM 0 H LYS A 120 9.927 -1.176 -21.976 1.00 0.00 H new ATOM 0 HA LYS A 120 8.510 0.024 -19.868 1.00 0.00 H new ATOM 0 HB2 LYS A 120 9.208 1.042 -22.059 1.00 0.00 H new ATOM 0 HB3 LYS A 120 7.957 0.110 -22.856 1.00 0.00 H new ATOM 0 HG2 LYS A 120 7.064 1.764 -20.535 1.00 0.00 H new ATOM 0 HG3 LYS A 120 7.620 2.656 -21.937 1.00 0.00 H new ATOM 0 HD2 LYS A 120 5.962 1.331 -23.353 1.00 0.00 H new ATOM 0 HD3 LYS A 120 5.342 0.621 -21.876 1.00 0.00 H new ATOM 0 HE2 LYS A 120 4.862 2.921 -20.977 1.00 0.00 H new ATOM 0 HE3 LYS A 120 5.468 3.625 -22.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 3.181 3.551 -22.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 3.710 2.179 -23.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 3.023 2.009 -22.061 1.00 0.00 H new ATOM 1815 N GLU A 121 6.624 -2.159 -21.508 1.00 0.00 N ATOM 1816 CA GLU A 121 5.390 -2.950 -21.308 1.00 0.00 C ATOM 1817 C GLU A 121 5.507 -3.985 -20.179 1.00 0.00 C ATOM 1818 O GLU A 121 4.517 -4.263 -19.496 1.00 0.00 O ATOM 1819 CB GLU A 121 4.889 -3.597 -22.611 1.00 0.00 C ATOM 1820 CG GLU A 121 5.839 -4.604 -23.263 1.00 0.00 C ATOM 1821 CD GLU A 121 5.086 -5.723 -24.004 1.00 0.00 C ATOM 1822 OE1 GLU A 121 4.422 -5.451 -25.033 1.00 0.00 O ATOM 1823 OE2 GLU A 121 5.161 -6.886 -23.538 1.00 0.00 O ATOM 0 H GLU A 121 7.130 -2.374 -22.367 1.00 0.00 H new ATOM 0 HA GLU A 121 4.637 -2.229 -20.990 1.00 0.00 H new ATOM 0 HB2 GLU A 121 3.944 -4.099 -22.405 1.00 0.00 H new ATOM 0 HB3 GLU A 121 4.680 -2.805 -23.330 1.00 0.00 H new ATOM 0 HG2 GLU A 121 6.492 -4.083 -23.963 1.00 0.00 H new ATOM 0 HG3 GLU A 121 6.479 -5.044 -22.498 1.00 0.00 H new ATOM 1830 N ARG A 122 6.711 -4.514 -19.909 1.00 0.00 N ATOM 1831 CA ARG A 122 6.942 -5.393 -18.747 1.00 0.00 C ATOM 1832 C ARG A 122 6.696 -4.619 -17.443 1.00 0.00 C ATOM 1833 O ARG A 122 5.845 -5.013 -16.656 1.00 0.00 O ATOM 1834 CB ARG A 122 8.332 -6.066 -18.766 1.00 0.00 C ATOM 1835 CG ARG A 122 8.731 -6.970 -19.950 1.00 0.00 C ATOM 1836 CD ARG A 122 7.606 -7.558 -20.815 1.00 0.00 C ATOM 1837 NE ARG A 122 6.806 -8.551 -20.061 1.00 0.00 N ATOM 1838 CZ ARG A 122 5.621 -9.043 -20.385 1.00 0.00 C ATOM 1839 NH1 ARG A 122 4.942 -8.657 -21.426 1.00 0.00 N ATOM 1840 NH2 ARG A 122 5.069 -9.956 -19.638 1.00 0.00 N ATOM 0 H ARG A 122 7.541 -4.349 -20.479 1.00 0.00 H new ATOM 0 HA ARG A 122 6.224 -6.211 -18.807 1.00 0.00 H new ATOM 0 HB2 ARG A 122 9.077 -5.274 -18.696 1.00 0.00 H new ATOM 0 HB3 ARG A 122 8.416 -6.664 -17.858 1.00 0.00 H new ATOM 0 HG2 ARG A 122 9.389 -6.396 -20.602 1.00 0.00 H new ATOM 0 HG3 ARG A 122 9.318 -7.799 -19.555 1.00 0.00 H new ATOM 0 HD2 ARG A 122 6.957 -6.755 -21.164 1.00 0.00 H new ATOM 0 HD3 ARG A 122 8.034 -8.030 -21.700 1.00 0.00 H new ATOM 0 HE ARG A 122 7.216 -8.895 -19.192 1.00 0.00 H new ATOM 0 HH11 ARG A 122 5.319 -7.938 -22.043 1.00 0.00 H new ATOM 0 HH12 ARG A 122 4.032 -9.074 -21.625 1.00 0.00 H new ATOM 0 HH21 ARG A 122 5.550 -10.292 -18.804 1.00 0.00 H new ATOM 0 HH22 ARG A 122 4.156 -10.335 -19.887 1.00 0.00 H new ATOM 1854 N VAL A 123 7.342 -3.461 -17.283 1.00 0.00 N ATOM 1855 CA VAL A 123 7.086 -2.486 -16.201 1.00 0.00 C ATOM 1856 C VAL A 123 5.619 -2.074 -16.131 1.00 0.00 C ATOM 1857 O VAL A 123 5.037 -2.147 -15.057 1.00 0.00 O ATOM 1858 CB VAL A 123 7.991 -1.260 -16.405 1.00 0.00 C ATOM 1859 CG1 VAL A 123 7.655 -0.067 -15.514 1.00 0.00 C ATOM 1860 CG2 VAL A 123 9.464 -1.612 -16.130 1.00 0.00 C ATOM 0 H VAL A 123 8.081 -3.160 -17.918 1.00 0.00 H new ATOM 0 HA VAL A 123 7.319 -2.961 -15.248 1.00 0.00 H new ATOM 0 HB VAL A 123 7.819 -0.976 -17.443 1.00 0.00 H new ATOM 0 HG11 VAL A 123 8.344 0.751 -15.726 1.00 0.00 H new ATOM 0 HG12 VAL A 123 6.634 0.258 -15.711 1.00 0.00 H new ATOM 0 HG13 VAL A 123 7.748 -0.357 -14.467 1.00 0.00 H new ATOM 0 HG21 VAL A 123 10.084 -0.728 -16.281 1.00 0.00 H new ATOM 0 HG22 VAL A 123 9.570 -1.958 -15.102 1.00 0.00 H new ATOM 0 HG23 VAL A 123 9.783 -2.400 -16.812 1.00 0.00 H new ATOM 1870 N GLU A 124 4.992 -1.660 -17.234 1.00 0.00 N ATOM 1871 CA GLU A 124 3.626 -1.148 -17.228 1.00 0.00 C ATOM 1872 C GLU A 124 2.606 -2.205 -16.796 1.00 0.00 C ATOM 1873 O GLU A 124 1.826 -1.956 -15.879 1.00 0.00 O ATOM 1874 CB GLU A 124 3.290 -0.601 -18.623 1.00 0.00 C ATOM 1875 CG GLU A 124 2.281 0.532 -18.523 1.00 0.00 C ATOM 1876 CD GLU A 124 1.555 0.760 -19.861 1.00 0.00 C ATOM 1877 OE1 GLU A 124 2.229 1.062 -20.875 1.00 0.00 O ATOM 1878 OE2 GLU A 124 0.307 0.645 -19.905 1.00 0.00 O ATOM 0 H GLU A 124 5.422 -1.672 -18.159 1.00 0.00 H new ATOM 0 HA GLU A 124 3.566 -0.347 -16.491 1.00 0.00 H new ATOM 0 HB2 GLU A 124 4.198 -0.245 -19.109 1.00 0.00 H new ATOM 0 HB3 GLU A 124 2.888 -1.400 -19.246 1.00 0.00 H new ATOM 0 HG2 GLU A 124 1.551 0.303 -17.746 1.00 0.00 H new ATOM 0 HG3 GLU A 124 2.790 1.448 -18.223 1.00 0.00 H new ATOM 1885 N ASN A 125 2.640 -3.404 -17.390 1.00 0.00 N ATOM 1886 CA ASN A 125 1.674 -4.456 -17.054 1.00 0.00 C ATOM 1887 C ASN A 125 1.885 -5.005 -15.629 1.00 0.00 C ATOM 1888 O ASN A 125 0.917 -5.370 -14.965 1.00 0.00 O ATOM 1889 CB ASN A 125 1.653 -5.545 -18.146 1.00 0.00 C ATOM 1890 CG ASN A 125 2.452 -6.785 -17.781 1.00 0.00 C ATOM 1891 OD1 ASN A 125 1.923 -7.785 -17.319 1.00 0.00 O ATOM 1892 ND2 ASN A 125 3.754 -6.733 -17.915 1.00 0.00 N ATOM 0 H ASN A 125 3.322 -3.669 -18.101 1.00 0.00 H new ATOM 0 HA ASN A 125 0.677 -4.016 -17.038 1.00 0.00 H new ATOM 0 HB2 ASN A 125 0.620 -5.833 -18.341 1.00 0.00 H new ATOM 0 HB3 ASN A 125 2.048 -5.127 -19.072 1.00 0.00 H new ATOM 0 HD21 ASN A 125 4.328 -7.528 -17.634 1.00 0.00 H new ATOM 0 HD22 ASN A 125 4.194 -5.898 -18.301 1.00 0.00 H new ATOM 1899 N LEU A 126 3.131 -4.995 -15.132 1.00 0.00 N ATOM 1900 CA LEU A 126 3.450 -5.300 -13.740 1.00 0.00 C ATOM 1901 C LEU A 126 2.919 -4.212 -12.809 1.00 0.00 C ATOM 1902 O LEU A 126 2.202 -4.519 -11.863 1.00 0.00 O ATOM 1903 CB LEU A 126 4.973 -5.530 -13.614 1.00 0.00 C ATOM 1904 CG LEU A 126 5.540 -5.925 -12.233 1.00 0.00 C ATOM 1905 CD1 LEU A 126 5.765 -4.736 -11.300 1.00 0.00 C ATOM 1906 CD2 LEU A 126 4.678 -6.965 -11.518 1.00 0.00 C ATOM 0 H LEU A 126 3.951 -4.772 -15.696 1.00 0.00 H new ATOM 0 HA LEU A 126 2.952 -6.218 -13.429 1.00 0.00 H new ATOM 0 HB2 LEU A 126 5.252 -6.309 -14.323 1.00 0.00 H new ATOM 0 HB3 LEU A 126 5.475 -4.616 -13.931 1.00 0.00 H new ATOM 0 HG LEU A 126 6.512 -6.363 -12.461 1.00 0.00 H new ATOM 0 HD11 LEU A 126 6.164 -5.090 -10.349 1.00 0.00 H new ATOM 0 HD12 LEU A 126 6.473 -4.045 -11.756 1.00 0.00 H new ATOM 0 HD13 LEU A 126 4.818 -4.224 -11.128 1.00 0.00 H new ATOM 0 HD21 LEU A 126 5.124 -7.205 -10.553 1.00 0.00 H new ATOM 0 HD22 LEU A 126 3.676 -6.564 -11.365 1.00 0.00 H new ATOM 0 HD23 LEU A 126 4.619 -7.868 -12.125 1.00 0.00 H new ATOM 1918 N ILE A 127 3.230 -2.937 -13.049 1.00 0.00 N ATOM 1919 CA ILE A 127 2.840 -1.896 -12.082 1.00 0.00 C ATOM 1920 C ILE A 127 1.323 -1.656 -12.082 1.00 0.00 C ATOM 1921 O ILE A 127 0.733 -1.525 -11.011 1.00 0.00 O ATOM 1922 CB ILE A 127 3.694 -0.636 -12.287 1.00 0.00 C ATOM 1923 CG1 ILE A 127 5.161 -0.993 -11.950 1.00 0.00 C ATOM 1924 CG2 ILE A 127 3.222 0.541 -11.417 1.00 0.00 C ATOM 1925 CD1 ILE A 127 6.163 0.110 -12.273 1.00 0.00 C ATOM 0 H ILE A 127 3.732 -2.603 -13.872 1.00 0.00 H new ATOM 0 HA ILE A 127 3.054 -2.242 -11.071 1.00 0.00 H new ATOM 0 HB ILE A 127 3.598 -0.313 -13.324 1.00 0.00 H new ATOM 0 HG12 ILE A 127 5.230 -1.232 -10.889 1.00 0.00 H new ATOM 0 HG13 ILE A 127 5.439 -1.893 -12.498 1.00 0.00 H new ATOM 0 HG21 ILE A 127 3.859 1.407 -11.600 1.00 0.00 H new ATOM 0 HG22 ILE A 127 2.191 0.789 -11.669 1.00 0.00 H new ATOM 0 HG23 ILE A 127 3.281 0.262 -10.365 1.00 0.00 H new ATOM 0 HD11 ILE A 127 7.167 -0.221 -12.007 1.00 0.00 H new ATOM 0 HD12 ILE A 127 6.126 0.335 -13.339 1.00 0.00 H new ATOM 0 HD13 ILE A 127 5.914 1.006 -11.704 1.00 0.00 H new ATOM 1937 N ALA A 128 0.668 -1.708 -13.243 1.00 0.00 N ATOM 1938 CA ALA A 128 -0.778 -1.499 -13.364 1.00 0.00 C ATOM 1939 C ALA A 128 -1.626 -2.553 -12.620 1.00 0.00 C ATOM 1940 O ALA A 128 -2.738 -2.240 -12.186 1.00 0.00 O ATOM 1941 CB ALA A 128 -1.137 -1.439 -14.851 1.00 0.00 C ATOM 0 H ALA A 128 1.128 -1.898 -14.133 1.00 0.00 H new ATOM 0 HA ALA A 128 -1.021 -0.555 -12.876 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -2.210 -1.284 -14.960 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -0.601 -0.615 -15.322 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -0.855 -2.376 -15.331 1.00 0.00 H new ATOM 1947 N LYS A 129 -1.098 -3.774 -12.425 1.00 0.00 N ATOM 1948 CA LYS A 129 -1.773 -4.834 -11.649 1.00 0.00 C ATOM 1949 C LYS A 129 -1.480 -4.799 -10.141 1.00 0.00 C ATOM 1950 O LYS A 129 -2.302 -5.313 -9.380 1.00 0.00 O ATOM 1951 CB LYS A 129 -1.537 -6.225 -12.276 1.00 0.00 C ATOM 1952 CG LYS A 129 -0.146 -6.811 -12.015 1.00 0.00 C ATOM 1953 CD LYS A 129 -0.010 -8.224 -12.586 1.00 0.00 C ATOM 1954 CE LYS A 129 1.370 -8.790 -12.218 1.00 0.00 C ATOM 1955 NZ LYS A 129 1.481 -10.226 -12.603 1.00 0.00 N ATOM 0 H LYS A 129 -0.192 -4.056 -12.800 1.00 0.00 H new ATOM 0 HA LYS A 129 -2.840 -4.620 -11.715 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -2.287 -6.916 -11.890 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -1.692 -6.155 -13.353 1.00 0.00 H new ATOM 0 HG2 LYS A 129 0.610 -6.165 -12.460 1.00 0.00 H new ATOM 0 HG3 LYS A 129 0.044 -6.832 -10.942 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -0.797 -8.866 -12.190 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -0.131 -8.204 -13.669 1.00 0.00 H new ATOM 0 HE2 LYS A 129 2.148 -8.215 -12.720 1.00 0.00 H new ATOM 0 HE3 LYS A 129 1.536 -8.684 -11.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 2.293 -10.655 -12.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 0.610 -10.726 -12.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 1.618 -10.300 -13.631 1.00 0.00 H new ATOM 1969 N ILE A 130 -0.357 -4.207 -9.697 1.00 0.00 N ATOM 1970 CA ILE A 130 0.027 -4.222 -8.264 1.00 0.00 C ATOM 1971 C ILE A 130 -0.256 -2.922 -7.496 1.00 0.00 C ATOM 1972 O ILE A 130 -0.277 -2.963 -6.266 1.00 0.00 O ATOM 1973 CB ILE A 130 1.489 -4.677 -8.045 1.00 0.00 C ATOM 1974 CG1 ILE A 130 2.522 -3.607 -8.458 1.00 0.00 C ATOM 1975 CG2 ILE A 130 1.752 -6.018 -8.749 1.00 0.00 C ATOM 1976 CD1 ILE A 130 3.959 -3.950 -8.055 1.00 0.00 C ATOM 0 H ILE A 130 0.300 -3.714 -10.301 1.00 0.00 H new ATOM 0 HA ILE A 130 -0.640 -4.969 -7.833 1.00 0.00 H new ATOM 0 HB ILE A 130 1.619 -4.819 -6.972 1.00 0.00 H new ATOM 0 HG12 ILE A 130 2.480 -3.472 -9.539 1.00 0.00 H new ATOM 0 HG13 ILE A 130 2.245 -2.654 -8.007 1.00 0.00 H new ATOM 0 HG21 ILE A 130 2.786 -6.320 -8.582 1.00 0.00 H new ATOM 0 HG22 ILE A 130 1.083 -6.778 -8.346 1.00 0.00 H new ATOM 0 HG23 ILE A 130 1.574 -5.908 -9.819 1.00 0.00 H new ATOM 0 HD11 ILE A 130 4.628 -3.152 -8.378 1.00 0.00 H new ATOM 0 HD12 ILE A 130 4.018 -4.056 -6.972 1.00 0.00 H new ATOM 0 HD13 ILE A 130 4.256 -4.886 -8.528 1.00 0.00 H new ATOM 1988 N SER A 131 -0.419 -1.788 -8.192 1.00 0.00 N ATOM 1989 CA SER A 131 -0.494 -0.434 -7.598 1.00 0.00 C ATOM 1990 C SER A 131 -1.544 -0.302 -6.485 1.00 0.00 C ATOM 1991 O SER A 131 -1.140 -0.043 -5.326 1.00 0.00 O ATOM 1992 CB SER A 131 -0.759 0.613 -8.675 1.00 0.00 C ATOM 1993 OG SER A 131 0.375 0.700 -9.517 1.00 0.00 O ATOM 1994 OXT SER A 131 -2.758 -0.463 -6.763 1.00 0.00 O ATOM 0 H SER A 131 -0.505 -1.780 -9.208 1.00 0.00 H new ATOM 0 HA SER A 131 0.479 -0.263 -7.137 1.00 0.00 H new ATOM 0 HB2 SER A 131 -1.640 0.342 -9.256 1.00 0.00 H new ATOM 0 HB3 SER A 131 -0.964 1.581 -8.218 1.00 0.00 H new ATOM 0 HG SER A 131 0.444 -0.114 -10.058 1.00 0.00 H new TER 2000 SER A 131