USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 749 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 60 TYR OH : rot 0:sc= 0.954 USER MOD Set 1.2: A 93 LYS NZ :NH3+ -138:sc= 2.13 (180deg=0.19) USER MOD Set 2.1: A 67 LYS NZ :NH3+ 145:sc= -0.0257! (180deg=-1.82!) USER MOD Set 2.2: A 85 SER OG : rot 180:sc= 0.985 USER MOD Set 3.1: A 64 TYR OH : rot 180:sc= -0.0777 USER MOD Set 3.2: A 72 MET CE :methyl -156:sc= -0.398 (180deg=-1.43!) USER MOD Single : A 11 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0461) USER MOD Single : A 13 SER OG : rot 180:sc= -0.572 USER MOD Single : A 14 MET CE :methyl -175:sc= -3.93 (180deg=-3.98) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 143:sc= 0.917 (180deg=-0.662) USER MOD Single : A 28 TYR OH : rot -148:sc= -1.52 USER MOD Single : A 31 TYR OH : rot -5:sc= 0.56 USER MOD Single : A 32 SER OG : rot 118:sc= 1.14 USER MOD Single : A 36 LYS NZ :NH3+ 146:sc= 0.635 (180deg=0.143) USER MOD Single : A 40 THR OG1 : rot 76:sc= 0.611 USER MOD Single : A 41 MET CE :methyl -122:sc= -0.28 (180deg=-0.976) USER MOD Single : A 43 LYS NZ :NH3+ -165:sc= -0.0297 (180deg=-0.295) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot -35:sc= 0.523 USER MOD Single : A 50 SER OG : rot -152:sc= -0.475 USER MOD Single : A 55 TYR OH : rot 9:sc= 0.48 USER MOD Single : A 56 LYS NZ :NH3+ -153:sc= -2.09! (180deg=-3.2!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot -10:sc= 1.23 USER MOD Single : A 81 MET CE :methyl -109:sc= -0.379 (180deg=-1.3) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.00675 USER MOD Single : A 86 CYS SG : rot 26:sc= -5.77! USER MOD Single : A 87 LYS NZ :NH3+ -157:sc= 1.14 (180deg=0.386) USER MOD Single : A 92 MET CE :methyl -173:sc= -3.67! (180deg=-3.77) USER MOD Single : A 95 THR OG1 : rot 88:sc= 0.867 USER MOD Single : A 98 LYS NZ :NH3+ -171:sc= -0.0112 (180deg=-0.129) USER MOD ----------------------------------------------------------------- ATOM 81 N GLY A 7 16.022 2.228 4.420 1.00 0.00 N ATOM 82 CA GLY A 7 15.913 1.130 5.356 1.00 0.00 C ATOM 83 C GLY A 7 14.558 1.090 6.020 1.00 0.00 C ATOM 84 O GLY A 7 14.445 0.775 7.204 1.00 0.00 O ATOM 0 HA2 GLY A 7 16.090 0.189 4.835 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.688 1.223 6.117 1.00 0.00 H new ATOM 88 N ILE A 8 13.521 1.414 5.261 1.00 0.00 N ATOM 89 CA ILE A 8 12.175 1.432 5.800 1.00 0.00 C ATOM 90 C ILE A 8 11.542 0.057 5.691 1.00 0.00 C ATOM 91 O ILE A 8 11.314 -0.454 4.589 1.00 0.00 O ATOM 92 CB ILE A 8 11.258 2.473 5.112 1.00 0.00 C ATOM 93 CG1 ILE A 8 11.759 3.897 5.359 1.00 0.00 C ATOM 94 CG2 ILE A 8 9.827 2.338 5.617 1.00 0.00 C ATOM 95 CD1 ILE A 8 12.994 4.262 4.571 1.00 0.00 C ATOM 0 H ILE A 8 13.588 1.666 4.275 1.00 0.00 H new ATOM 0 HA ILE A 8 12.270 1.722 6.846 1.00 0.00 H new ATOM 0 HB ILE A 8 11.280 2.278 4.040 1.00 0.00 H new ATOM 0 HG12 ILE A 8 10.963 4.599 5.111 1.00 0.00 H new ATOM 0 HG13 ILE A 8 11.971 4.017 6.422 1.00 0.00 H new ATOM 0 HG21 ILE A 8 9.196 3.077 5.123 1.00 0.00 H new ATOM 0 HG22 ILE A 8 9.456 1.337 5.395 1.00 0.00 H new ATOM 0 HG23 ILE A 8 9.804 2.503 6.694 1.00 0.00 H new ATOM 0 HD11 ILE A 8 13.284 5.287 4.803 1.00 0.00 H new ATOM 0 HD12 ILE A 8 13.807 3.586 4.835 1.00 0.00 H new ATOM 0 HD13 ILE A 8 12.784 4.177 3.505 1.00 0.00 H new ATOM 107 N PHE A 9 11.283 -0.539 6.836 1.00 0.00 N ATOM 108 CA PHE A 9 10.579 -1.806 6.899 1.00 0.00 C ATOM 109 C PHE A 9 9.124 -1.548 7.216 1.00 0.00 C ATOM 110 O PHE A 9 8.811 -0.786 8.131 1.00 0.00 O ATOM 111 CB PHE A 9 11.172 -2.727 7.967 1.00 0.00 C ATOM 112 CG PHE A 9 12.514 -3.291 7.611 1.00 0.00 C ATOM 113 CD1 PHE A 9 12.605 -4.378 6.761 1.00 0.00 C ATOM 114 CD2 PHE A 9 13.677 -2.747 8.129 1.00 0.00 C ATOM 115 CE1 PHE A 9 13.831 -4.913 6.431 1.00 0.00 C ATOM 116 CE2 PHE A 9 14.910 -3.279 7.803 1.00 0.00 C ATOM 117 CZ PHE A 9 14.987 -4.364 6.951 1.00 0.00 C ATOM 0 H PHE A 9 11.552 -0.163 7.745 1.00 0.00 H new ATOM 0 HA PHE A 9 10.679 -2.300 5.933 1.00 0.00 H new ATOM 0 HB2 PHE A 9 11.259 -2.173 8.902 1.00 0.00 H new ATOM 0 HB3 PHE A 9 10.480 -3.550 8.147 1.00 0.00 H new ATOM 0 HD1 PHE A 9 11.705 -4.812 6.351 1.00 0.00 H new ATOM 0 HD2 PHE A 9 13.620 -1.898 8.795 1.00 0.00 H new ATOM 0 HE1 PHE A 9 13.888 -5.762 5.766 1.00 0.00 H new ATOM 0 HE2 PHE A 9 15.811 -2.848 8.213 1.00 0.00 H new ATOM 0 HZ PHE A 9 15.949 -4.782 6.692 1.00 0.00 H new ATOM 127 N VAL A 10 8.235 -2.170 6.474 1.00 0.00 N ATOM 128 CA VAL A 10 6.823 -1.963 6.694 1.00 0.00 C ATOM 129 C VAL A 10 6.147 -3.259 7.088 1.00 0.00 C ATOM 130 O VAL A 10 6.421 -4.323 6.531 1.00 0.00 O ATOM 131 CB VAL A 10 6.100 -1.392 5.461 1.00 0.00 C ATOM 132 CG1 VAL A 10 5.434 -0.067 5.802 1.00 0.00 C ATOM 133 CG2 VAL A 10 7.055 -1.234 4.290 1.00 0.00 C ATOM 0 H VAL A 10 8.463 -2.818 5.720 1.00 0.00 H new ATOM 0 HA VAL A 10 6.751 -1.232 7.500 1.00 0.00 H new ATOM 0 HB VAL A 10 5.326 -2.099 5.163 1.00 0.00 H new ATOM 0 HG11 VAL A 10 4.927 0.323 4.919 1.00 0.00 H new ATOM 0 HG12 VAL A 10 4.707 -0.220 6.600 1.00 0.00 H new ATOM 0 HG13 VAL A 10 6.190 0.646 6.131 1.00 0.00 H new ATOM 0 HG21 VAL A 10 6.516 -0.829 3.433 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.861 -0.554 4.567 1.00 0.00 H new ATOM 0 HG23 VAL A 10 7.474 -2.206 4.029 1.00 0.00 H new ATOM 143 N LYS A 11 5.258 -3.156 8.042 1.00 0.00 N ATOM 144 CA LYS A 11 4.461 -4.284 8.461 1.00 0.00 C ATOM 145 C LYS A 11 3.072 -4.106 7.903 1.00 0.00 C ATOM 146 O LYS A 11 2.509 -3.019 7.997 1.00 0.00 O ATOM 147 CB LYS A 11 4.411 -4.371 9.982 1.00 0.00 C ATOM 148 CG LYS A 11 5.780 -4.463 10.629 1.00 0.00 C ATOM 149 CD LYS A 11 5.712 -4.168 12.116 1.00 0.00 C ATOM 150 CE LYS A 11 7.091 -4.185 12.751 1.00 0.00 C ATOM 151 NZ LYS A 11 7.696 -5.540 12.743 1.00 0.00 N ATOM 0 H LYS A 11 5.065 -2.292 8.550 1.00 0.00 H new ATOM 0 HA LYS A 11 4.902 -5.209 8.091 1.00 0.00 H new ATOM 0 HB2 LYS A 11 3.892 -3.495 10.371 1.00 0.00 H new ATOM 0 HB3 LYS A 11 3.823 -5.243 10.269 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.191 -5.460 10.473 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.459 -3.759 10.148 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.250 -3.194 12.274 1.00 0.00 H new ATOM 0 HD3 LYS A 11 5.076 -4.906 12.605 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.744 -3.495 12.217 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.021 -3.827 13.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 8.589 -5.524 13.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 7.041 -6.215 13.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 7.882 -5.831 11.762 1.00 0.00 H new ATOM 165 N VAL A 12 2.523 -5.159 7.331 1.00 0.00 N ATOM 166 CA VAL A 12 1.248 -5.056 6.628 1.00 0.00 C ATOM 167 C VAL A 12 0.243 -6.068 7.166 1.00 0.00 C ATOM 168 O VAL A 12 0.498 -7.269 7.215 1.00 0.00 O ATOM 169 CB VAL A 12 1.453 -5.210 5.090 1.00 0.00 C ATOM 170 CG1 VAL A 12 2.838 -5.754 4.805 1.00 0.00 C ATOM 171 CG2 VAL A 12 0.398 -6.094 4.432 1.00 0.00 C ATOM 0 H VAL A 12 2.932 -6.093 7.336 1.00 0.00 H new ATOM 0 HA VAL A 12 0.836 -4.063 6.809 1.00 0.00 H new ATOM 0 HB VAL A 12 1.345 -4.216 4.656 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.973 -5.859 3.729 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.587 -5.067 5.200 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.952 -6.728 5.281 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.596 -6.162 3.362 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.433 -7.091 4.871 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.590 -5.662 4.592 1.00 0.00 H new ATOM 181 N SER A 13 -0.904 -5.559 7.578 1.00 0.00 N ATOM 182 CA SER A 13 -1.920 -6.369 8.222 1.00 0.00 C ATOM 183 C SER A 13 -3.155 -6.504 7.340 1.00 0.00 C ATOM 184 O SER A 13 -3.406 -5.660 6.481 1.00 0.00 O ATOM 185 CB SER A 13 -2.281 -5.738 9.566 1.00 0.00 C ATOM 186 OG SER A 13 -2.374 -4.325 9.456 1.00 0.00 O ATOM 0 H SER A 13 -1.156 -4.576 7.476 1.00 0.00 H new ATOM 0 HA SER A 13 -1.527 -7.372 8.385 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.230 -6.142 9.918 1.00 0.00 H new ATOM 0 HB3 SER A 13 -1.528 -6.000 10.309 1.00 0.00 H new ATOM 0 HG SER A 13 -2.608 -3.944 10.328 1.00 0.00 H new ATOM 192 N MET A 14 -3.911 -7.574 7.548 1.00 0.00 N ATOM 193 CA MET A 14 -5.113 -7.826 6.768 1.00 0.00 C ATOM 194 C MET A 14 -6.355 -7.663 7.629 1.00 0.00 C ATOM 195 O MET A 14 -6.401 -8.137 8.765 1.00 0.00 O ATOM 196 CB MET A 14 -5.077 -9.235 6.168 1.00 0.00 C ATOM 197 CG MET A 14 -6.343 -9.612 5.406 1.00 0.00 C ATOM 198 SD MET A 14 -6.738 -8.448 4.094 1.00 0.00 S ATOM 199 CE MET A 14 -5.182 -8.429 3.215 1.00 0.00 C ATOM 0 H MET A 14 -3.711 -8.283 8.253 1.00 0.00 H new ATOM 0 HA MET A 14 -5.150 -7.098 5.958 1.00 0.00 H new ATOM 0 HB2 MET A 14 -4.223 -9.312 5.495 1.00 0.00 H new ATOM 0 HB3 MET A 14 -4.918 -9.957 6.969 1.00 0.00 H new ATOM 0 HG2 MET A 14 -6.222 -10.607 4.978 1.00 0.00 H new ATOM 0 HG3 MET A 14 -7.179 -9.664 6.103 1.00 0.00 H new ATOM 0 HE1 MET A 14 -5.223 -7.686 2.418 1.00 0.00 H new ATOM 0 HE2 MET A 14 -4.377 -8.176 3.905 1.00 0.00 H new ATOM 0 HE3 MET A 14 -4.995 -9.413 2.785 1.00 0.00 H new ATOM 209 N ASP A 15 -7.351 -6.984 7.092 1.00 0.00 N ATOM 210 CA ASP A 15 -8.614 -6.812 7.788 1.00 0.00 C ATOM 211 C ASP A 15 -9.665 -7.753 7.221 1.00 0.00 C ATOM 212 O ASP A 15 -9.753 -7.950 6.009 1.00 0.00 O ATOM 213 CB ASP A 15 -9.096 -5.364 7.704 1.00 0.00 C ATOM 214 CG ASP A 15 -8.679 -4.548 8.909 1.00 0.00 C ATOM 215 OD1 ASP A 15 -9.402 -4.587 9.928 1.00 0.00 O ATOM 216 OD2 ASP A 15 -7.632 -3.870 8.850 1.00 0.00 O ATOM 0 H ASP A 15 -7.311 -6.541 6.174 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.455 -7.055 8.839 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.698 -4.903 6.800 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -10.182 -5.350 7.617 1.00 0.00 H new ATOM 221 N GLY A 16 -10.438 -8.348 8.113 1.00 0.00 N ATOM 222 CA GLY A 16 -11.461 -9.298 7.721 1.00 0.00 C ATOM 223 C GLY A 16 -10.949 -10.726 7.740 1.00 0.00 C ATOM 224 O GLY A 16 -11.695 -11.657 8.047 1.00 0.00 O ATOM 0 H GLY A 16 -10.375 -8.188 9.118 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -12.314 -9.210 8.394 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -11.818 -9.054 6.720 1.00 0.00 H new ATOM 228 N ALA A 17 -9.675 -10.897 7.422 1.00 0.00 N ATOM 229 CA ALA A 17 -9.029 -12.198 7.531 1.00 0.00 C ATOM 230 C ALA A 17 -7.659 -12.077 8.192 1.00 0.00 C ATOM 231 O ALA A 17 -6.938 -11.110 7.964 1.00 0.00 O ATOM 232 CB ALA A 17 -8.899 -12.847 6.166 1.00 0.00 C ATOM 0 H ALA A 17 -9.066 -10.151 7.086 1.00 0.00 H new ATOM 0 HA ALA A 17 -9.656 -12.830 8.160 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.414 -13.818 6.269 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -9.889 -12.981 5.731 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.300 -12.210 5.516 1.00 0.00 H new ATOM 238 N PRO A 18 -7.296 -13.046 9.039 1.00 0.00 N ATOM 239 CA PRO A 18 -5.989 -13.072 9.698 1.00 0.00 C ATOM 240 C PRO A 18 -4.871 -13.559 8.772 1.00 0.00 C ATOM 241 O PRO A 18 -4.970 -14.634 8.177 1.00 0.00 O ATOM 242 CB PRO A 18 -6.207 -14.061 10.842 1.00 0.00 C ATOM 243 CG PRO A 18 -7.256 -14.994 10.339 1.00 0.00 C ATOM 244 CD PRO A 18 -8.136 -14.195 9.418 1.00 0.00 C ATOM 0 HA PRO A 18 -5.669 -12.080 10.018 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -5.288 -14.593 11.086 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.532 -13.552 11.750 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.806 -15.835 9.812 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -7.834 -15.408 11.165 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -8.435 -14.777 8.546 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -9.051 -13.875 9.917 1.00 0.00 H new ATOM 252 N TYR A 19 -3.806 -12.769 8.659 1.00 0.00 N ATOM 253 CA TYR A 19 -2.628 -13.144 7.877 1.00 0.00 C ATOM 254 C TYR A 19 -1.392 -12.467 8.449 1.00 0.00 C ATOM 255 O TYR A 19 -1.505 -11.545 9.257 1.00 0.00 O ATOM 256 CB TYR A 19 -2.774 -12.740 6.403 1.00 0.00 C ATOM 257 CG TYR A 19 -3.785 -13.541 5.614 1.00 0.00 C ATOM 258 CD1 TYR A 19 -3.498 -14.827 5.175 1.00 0.00 C ATOM 259 CD2 TYR A 19 -5.019 -13.000 5.291 1.00 0.00 C ATOM 260 CE1 TYR A 19 -4.416 -15.550 4.437 1.00 0.00 C ATOM 261 CE2 TYR A 19 -5.943 -13.715 4.557 1.00 0.00 C ATOM 262 CZ TYR A 19 -5.638 -14.989 4.131 1.00 0.00 C ATOM 263 OH TYR A 19 -6.557 -15.700 3.391 1.00 0.00 O ATOM 0 H TYR A 19 -3.734 -11.854 9.104 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.529 -14.228 7.933 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -3.053 -11.687 6.357 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.802 -12.834 5.919 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -2.542 -15.269 5.414 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -5.262 -12.000 5.620 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.178 -16.549 4.102 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -6.901 -13.278 4.318 1.00 0.00 H new ATOM 0 HH TYR A 19 -7.365 -15.160 3.266 1.00 0.00 H new ATOM 273 N LEU A 20 -0.217 -12.916 8.025 1.00 0.00 N ATOM 274 CA LEU A 20 1.028 -12.285 8.435 1.00 0.00 C ATOM 275 C LEU A 20 1.844 -11.884 7.212 1.00 0.00 C ATOM 276 O LEU A 20 2.446 -12.725 6.548 1.00 0.00 O ATOM 277 CB LEU A 20 1.839 -13.242 9.312 1.00 0.00 C ATOM 278 CG LEU A 20 1.137 -13.718 10.586 1.00 0.00 C ATOM 279 CD1 LEU A 20 1.965 -14.781 11.288 1.00 0.00 C ATOM 280 CD2 LEU A 20 0.877 -12.548 11.523 1.00 0.00 C ATOM 0 H LEU A 20 -0.102 -13.713 7.399 1.00 0.00 H new ATOM 0 HA LEU A 20 0.792 -11.390 9.010 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.106 -14.115 8.717 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.770 -12.750 9.593 1.00 0.00 H new ATOM 0 HG LEU A 20 0.179 -14.155 10.304 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.449 -15.106 12.191 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.103 -15.633 10.622 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.938 -14.367 11.555 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.377 -12.907 12.423 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.824 -12.082 11.795 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.243 -11.816 11.023 1.00 0.00 H new ATOM 292 N ARG A 21 1.839 -10.592 6.906 1.00 0.00 N ATOM 293 CA ARG A 21 2.604 -10.056 5.783 1.00 0.00 C ATOM 294 C ARG A 21 3.490 -8.899 6.236 1.00 0.00 C ATOM 295 O ARG A 21 3.045 -8.035 6.992 1.00 0.00 O ATOM 296 CB ARG A 21 1.672 -9.579 4.658 1.00 0.00 C ATOM 297 CG ARG A 21 1.154 -10.687 3.745 1.00 0.00 C ATOM 298 CD ARG A 21 0.101 -11.551 4.416 1.00 0.00 C ATOM 299 NE ARG A 21 -0.257 -12.707 3.595 1.00 0.00 N ATOM 300 CZ ARG A 21 -1.395 -12.821 2.909 1.00 0.00 C ATOM 301 NH1 ARG A 21 -2.287 -11.836 2.917 1.00 0.00 N ATOM 302 NH2 ARG A 21 -1.637 -13.921 2.209 1.00 0.00 N ATOM 0 H ARG A 21 1.310 -9.890 7.423 1.00 0.00 H new ATOM 0 HA ARG A 21 3.234 -10.860 5.401 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.820 -9.066 5.104 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.203 -8.846 4.051 1.00 0.00 H new ATOM 0 HG2 ARG A 21 0.733 -10.243 2.843 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.988 -11.315 3.432 1.00 0.00 H new ATOM 0 HD2 ARG A 21 0.473 -11.892 5.382 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -0.790 -10.953 4.610 1.00 0.00 H new ATOM 0 HE ARG A 21 0.409 -13.478 3.544 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -2.103 -10.986 3.450 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.155 -11.930 2.390 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -0.953 -14.678 2.196 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -2.507 -14.010 1.684 1.00 0.00 H new ATOM 316 N LYS A 22 4.750 -8.896 5.815 1.00 0.00 N ATOM 317 CA LYS A 22 5.640 -7.756 6.050 1.00 0.00 C ATOM 318 C LYS A 22 6.565 -7.575 4.854 1.00 0.00 C ATOM 319 O LYS A 22 7.036 -8.557 4.277 1.00 0.00 O ATOM 320 CB LYS A 22 6.486 -7.913 7.327 1.00 0.00 C ATOM 321 CG LYS A 22 5.693 -8.026 8.622 1.00 0.00 C ATOM 322 CD LYS A 22 5.174 -9.435 8.851 1.00 0.00 C ATOM 323 CE LYS A 22 4.156 -9.461 9.971 1.00 0.00 C ATOM 324 NZ LYS A 22 3.078 -8.457 9.754 1.00 0.00 N ATOM 0 H LYS A 22 5.182 -9.669 5.309 1.00 0.00 H new ATOM 0 HA LYS A 22 5.007 -6.879 6.184 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.110 -8.801 7.223 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.158 -7.059 7.405 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.324 -7.732 9.460 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.854 -7.331 8.595 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.722 -9.814 7.934 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.005 -10.098 9.094 1.00 0.00 H new ATOM 0 HE2 LYS A 22 3.718 -10.457 10.043 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.653 -9.263 10.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.170 -8.848 10.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.294 -7.594 10.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.017 -8.227 8.742 1.00 0.00 H new ATOM 338 N ILE A 23 6.830 -6.327 4.488 1.00 0.00 N ATOM 339 CA ILE A 23 7.623 -6.023 3.300 1.00 0.00 C ATOM 340 C ILE A 23 8.506 -4.797 3.500 1.00 0.00 C ATOM 341 O ILE A 23 8.437 -4.124 4.528 1.00 0.00 O ATOM 342 CB ILE A 23 6.752 -5.843 2.032 1.00 0.00 C ATOM 343 CG1 ILE A 23 5.449 -5.091 2.348 1.00 0.00 C ATOM 344 CG2 ILE A 23 6.468 -7.195 1.393 1.00 0.00 C ATOM 345 CD1 ILE A 23 4.431 -5.138 1.223 1.00 0.00 C ATOM 0 H ILE A 23 6.507 -5.505 4.998 1.00 0.00 H new ATOM 0 HA ILE A 23 8.264 -6.891 3.146 1.00 0.00 H new ATOM 0 HB ILE A 23 7.309 -5.235 1.319 1.00 0.00 H new ATOM 0 HG12 ILE A 23 5.003 -5.516 3.248 1.00 0.00 H new ATOM 0 HG13 ILE A 23 5.685 -4.050 2.570 1.00 0.00 H new ATOM 0 HG21 ILE A 23 5.855 -7.055 0.503 1.00 0.00 H new ATOM 0 HG22 ILE A 23 7.408 -7.671 1.115 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.937 -7.829 2.103 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.538 -4.587 1.517 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.858 -4.687 0.327 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.166 -6.175 1.016 1.00 0.00 H new ATOM 357 N ASP A 24 9.340 -4.522 2.510 1.00 0.00 N ATOM 358 CA ASP A 24 10.309 -3.439 2.586 1.00 0.00 C ATOM 359 C ASP A 24 9.901 -2.322 1.643 1.00 0.00 C ATOM 360 O ASP A 24 9.719 -2.548 0.453 1.00 0.00 O ATOM 361 CB ASP A 24 11.686 -3.935 2.140 1.00 0.00 C ATOM 362 CG ASP A 24 12.297 -4.989 3.035 1.00 0.00 C ATOM 363 OD1 ASP A 24 11.659 -6.036 3.263 1.00 0.00 O ATOM 364 OD2 ASP A 24 13.448 -4.788 3.471 1.00 0.00 O ATOM 0 H ASP A 24 9.365 -5.042 1.633 1.00 0.00 H new ATOM 0 HA ASP A 24 10.346 -3.084 3.616 1.00 0.00 H new ATOM 0 HB2 ASP A 24 11.603 -4.338 1.131 1.00 0.00 H new ATOM 0 HB3 ASP A 24 12.365 -3.084 2.088 1.00 0.00 H new ATOM 369 N LEU A 25 9.808 -1.110 2.174 1.00 0.00 N ATOM 370 CA LEU A 25 9.327 0.027 1.402 1.00 0.00 C ATOM 371 C LEU A 25 10.345 0.404 0.336 1.00 0.00 C ATOM 372 O LEU A 25 10.005 0.798 -0.776 1.00 0.00 O ATOM 373 CB LEU A 25 9.117 1.230 2.319 1.00 0.00 C ATOM 374 CG LEU A 25 7.887 2.101 2.030 1.00 0.00 C ATOM 375 CD1 LEU A 25 7.256 1.777 0.689 1.00 0.00 C ATOM 376 CD2 LEU A 25 6.865 1.915 3.114 1.00 0.00 C ATOM 0 H LEU A 25 10.060 -0.889 3.137 1.00 0.00 H new ATOM 0 HA LEU A 25 8.384 -0.252 0.932 1.00 0.00 H new ATOM 0 HB2 LEU A 25 9.047 0.869 3.345 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.004 1.861 2.263 1.00 0.00 H new ATOM 0 HG LEU A 25 8.225 3.137 2.000 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.390 2.419 0.530 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.983 1.945 -0.105 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.941 0.734 0.678 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.994 2.536 2.903 1.00 0.00 H new ATOM 0 HD22 LEU A 25 6.563 0.868 3.154 1.00 0.00 H new ATOM 0 HD23 LEU A 25 7.294 2.206 4.073 1.00 0.00 H new ATOM 388 N ARG A 26 11.605 0.276 0.701 1.00 0.00 N ATOM 389 CA ARG A 26 12.689 0.808 -0.092 1.00 0.00 C ATOM 390 C ARG A 26 13.054 -0.074 -1.286 1.00 0.00 C ATOM 391 O ARG A 26 13.666 0.401 -2.242 1.00 0.00 O ATOM 392 CB ARG A 26 13.914 1.060 0.783 1.00 0.00 C ATOM 393 CG ARG A 26 14.606 -0.190 1.278 1.00 0.00 C ATOM 394 CD ARG A 26 14.193 -0.585 2.692 1.00 0.00 C ATOM 395 NE ARG A 26 14.519 -1.976 3.010 1.00 0.00 N ATOM 396 CZ ARG A 26 15.680 -2.389 3.521 1.00 0.00 C ATOM 397 NH1 ARG A 26 16.708 -1.560 3.641 1.00 0.00 N ATOM 398 NH2 ARG A 26 15.819 -3.653 3.882 1.00 0.00 N ATOM 0 H ARG A 26 11.903 -0.199 1.553 1.00 0.00 H new ATOM 0 HA ARG A 26 12.337 1.753 -0.505 1.00 0.00 H new ATOM 0 HB2 ARG A 26 14.631 1.656 0.218 1.00 0.00 H new ATOM 0 HB3 ARG A 26 13.612 1.657 1.644 1.00 0.00 H new ATOM 0 HG2 ARG A 26 14.385 -1.013 0.599 1.00 0.00 H new ATOM 0 HG3 ARG A 26 15.685 -0.035 1.251 1.00 0.00 H new ATOM 0 HD2 ARG A 26 14.688 0.072 3.407 1.00 0.00 H new ATOM 0 HD3 ARG A 26 13.120 -0.432 2.808 1.00 0.00 H new ATOM 0 HE ARG A 26 13.806 -2.682 2.827 1.00 0.00 H new ATOM 0 HH11 ARG A 26 16.618 -0.589 3.340 1.00 0.00 H new ATOM 0 HH12 ARG A 26 17.588 -1.893 4.034 1.00 0.00 H new ATOM 0 HH21 ARG A 26 15.042 -4.304 3.769 1.00 0.00 H new ATOM 0 HH22 ARG A 26 16.703 -3.977 4.274 1.00 0.00 H new ATOM 412 N VAL A 27 12.662 -1.341 -1.255 1.00 0.00 N ATOM 413 CA VAL A 27 13.137 -2.300 -2.255 1.00 0.00 C ATOM 414 C VAL A 27 12.371 -2.206 -3.572 1.00 0.00 C ATOM 415 O VAL A 27 12.710 -2.893 -4.533 1.00 0.00 O ATOM 416 CB VAL A 27 13.072 -3.754 -1.747 1.00 0.00 C ATOM 417 CG1 VAL A 27 13.948 -3.933 -0.518 1.00 0.00 C ATOM 418 CG2 VAL A 27 11.635 -4.171 -1.462 1.00 0.00 C ATOM 0 H VAL A 27 12.025 -1.729 -0.560 1.00 0.00 H new ATOM 0 HA VAL A 27 14.177 -2.028 -2.434 1.00 0.00 H new ATOM 0 HB VAL A 27 13.455 -4.405 -2.533 1.00 0.00 H new ATOM 0 HG11 VAL A 27 13.888 -4.966 -0.176 1.00 0.00 H new ATOM 0 HG12 VAL A 27 14.981 -3.694 -0.770 1.00 0.00 H new ATOM 0 HG13 VAL A 27 13.604 -3.268 0.274 1.00 0.00 H new ATOM 0 HG21 VAL A 27 11.619 -5.201 -1.105 1.00 0.00 H new ATOM 0 HG22 VAL A 27 11.210 -3.517 -0.701 1.00 0.00 H new ATOM 0 HG23 VAL A 27 11.046 -4.094 -2.376 1.00 0.00 H new ATOM 428 N TYR A 28 11.353 -1.362 -3.630 1.00 0.00 N ATOM 429 CA TYR A 28 10.553 -1.269 -4.843 1.00 0.00 C ATOM 430 C TYR A 28 11.183 -0.312 -5.847 1.00 0.00 C ATOM 431 O TYR A 28 11.061 -0.489 -7.054 1.00 0.00 O ATOM 432 CB TYR A 28 9.137 -0.797 -4.524 1.00 0.00 C ATOM 433 CG TYR A 28 8.472 -1.542 -3.389 1.00 0.00 C ATOM 434 CD1 TYR A 28 8.276 -2.917 -3.444 1.00 0.00 C ATOM 435 CD2 TYR A 28 8.030 -0.863 -2.264 1.00 0.00 C ATOM 436 CE1 TYR A 28 7.660 -3.589 -2.405 1.00 0.00 C ATOM 437 CE2 TYR A 28 7.410 -1.528 -1.226 1.00 0.00 C ATOM 438 CZ TYR A 28 7.230 -2.888 -1.302 1.00 0.00 C ATOM 439 OH TYR A 28 6.617 -3.549 -0.271 1.00 0.00 O ATOM 0 H TYR A 28 11.065 -0.744 -2.871 1.00 0.00 H new ATOM 0 HA TYR A 28 10.513 -2.267 -5.280 1.00 0.00 H new ATOM 0 HB2 TYR A 28 9.168 0.264 -4.277 1.00 0.00 H new ATOM 0 HB3 TYR A 28 8.523 -0.899 -5.419 1.00 0.00 H new ATOM 0 HD1 TYR A 28 8.610 -3.468 -4.311 1.00 0.00 H new ATOM 0 HD2 TYR A 28 8.173 0.205 -2.199 1.00 0.00 H new ATOM 0 HE1 TYR A 28 7.517 -4.658 -2.459 1.00 0.00 H new ATOM 0 HE2 TYR A 28 7.068 -0.983 -0.359 1.00 0.00 H new ATOM 0 HH TYR A 28 5.955 -2.960 0.147 1.00 0.00 H new ATOM 449 N GLY A 29 11.889 0.689 -5.328 1.00 0.00 N ATOM 450 CA GLY A 29 12.579 1.659 -6.170 1.00 0.00 C ATOM 451 C GLY A 29 11.679 2.371 -7.178 1.00 0.00 C ATOM 452 O GLY A 29 12.175 3.021 -8.098 1.00 0.00 O ATOM 0 H GLY A 29 11.998 0.849 -4.326 1.00 0.00 H new ATOM 0 HA2 GLY A 29 13.051 2.406 -5.531 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.378 1.150 -6.710 1.00 0.00 H new ATOM 456 N GLY A 30 10.368 2.265 -6.999 1.00 0.00 N ATOM 457 CA GLY A 30 9.434 2.886 -7.920 1.00 0.00 C ATOM 458 C GLY A 30 8.025 2.369 -7.723 1.00 0.00 C ATOM 459 O GLY A 30 7.824 1.356 -7.050 1.00 0.00 O ATOM 0 H GLY A 30 9.933 1.757 -6.229 1.00 0.00 H new ATOM 0 HA2 GLY A 30 9.448 3.967 -7.779 1.00 0.00 H new ATOM 0 HA3 GLY A 30 9.752 2.694 -8.945 1.00 0.00 H new ATOM 463 N TYR A 31 7.050 3.068 -8.300 1.00 0.00 N ATOM 464 CA TYR A 31 5.643 2.691 -8.168 1.00 0.00 C ATOM 465 C TYR A 31 5.355 1.305 -8.734 1.00 0.00 C ATOM 466 O TYR A 31 4.537 0.573 -8.184 1.00 0.00 O ATOM 467 CB TYR A 31 4.731 3.708 -8.863 1.00 0.00 C ATOM 468 CG TYR A 31 4.627 5.039 -8.154 1.00 0.00 C ATOM 469 CD1 TYR A 31 4.505 5.103 -6.772 1.00 0.00 C ATOM 470 CD2 TYR A 31 4.637 6.229 -8.868 1.00 0.00 C ATOM 471 CE1 TYR A 31 4.396 6.317 -6.123 1.00 0.00 C ATOM 472 CE2 TYR A 31 4.530 7.447 -8.224 1.00 0.00 C ATOM 473 CZ TYR A 31 4.408 7.485 -6.852 1.00 0.00 C ATOM 474 OH TYR A 31 4.295 8.696 -6.210 1.00 0.00 O ATOM 0 H TYR A 31 7.209 3.902 -8.866 1.00 0.00 H new ATOM 0 HA TYR A 31 5.435 2.677 -7.098 1.00 0.00 H new ATOM 0 HB2 TYR A 31 5.100 3.877 -9.875 1.00 0.00 H new ATOM 0 HB3 TYR A 31 3.733 3.280 -8.955 1.00 0.00 H new ATOM 0 HD1 TYR A 31 4.495 4.189 -6.196 1.00 0.00 H new ATOM 0 HD2 TYR A 31 4.730 6.203 -9.944 1.00 0.00 H new ATOM 0 HE1 TYR A 31 4.302 6.350 -5.048 1.00 0.00 H new ATOM 0 HE2 TYR A 31 4.542 8.365 -8.793 1.00 0.00 H new ATOM 0 HH TYR A 31 4.134 8.546 -5.255 1.00 0.00 H new ATOM 484 N SER A 32 6.024 0.941 -9.821 1.00 0.00 N ATOM 485 CA SER A 32 5.740 -0.317 -10.493 1.00 0.00 C ATOM 486 C SER A 32 6.027 -1.497 -9.581 1.00 0.00 C ATOM 487 O SER A 32 5.152 -2.322 -9.329 1.00 0.00 O ATOM 488 CB SER A 32 6.563 -0.432 -11.771 1.00 0.00 C ATOM 489 OG SER A 32 7.908 -0.046 -11.539 1.00 0.00 O ATOM 0 H SER A 32 6.762 1.497 -10.253 1.00 0.00 H new ATOM 0 HA SER A 32 4.681 -0.331 -10.750 1.00 0.00 H new ATOM 0 HB2 SER A 32 6.532 -1.458 -12.138 1.00 0.00 H new ATOM 0 HB3 SER A 32 6.128 0.197 -12.547 1.00 0.00 H new ATOM 0 HG SER A 32 8.500 -0.810 -11.702 1.00 0.00 H new ATOM 495 N GLU A 33 7.239 -1.551 -9.052 1.00 0.00 N ATOM 496 CA GLU A 33 7.634 -2.646 -8.189 1.00 0.00 C ATOM 497 C GLU A 33 6.857 -2.589 -6.886 1.00 0.00 C ATOM 498 O GLU A 33 6.628 -3.612 -6.244 1.00 0.00 O ATOM 499 CB GLU A 33 9.136 -2.620 -7.919 1.00 0.00 C ATOM 500 CG GLU A 33 9.988 -3.141 -9.070 1.00 0.00 C ATOM 501 CD GLU A 33 9.964 -2.256 -10.301 1.00 0.00 C ATOM 502 OE1 GLU A 33 9.049 -2.412 -11.136 1.00 0.00 O ATOM 503 OE2 GLU A 33 10.869 -1.413 -10.454 1.00 0.00 O ATOM 0 H GLU A 33 7.963 -0.849 -9.206 1.00 0.00 H new ATOM 0 HA GLU A 33 7.403 -3.582 -8.697 1.00 0.00 H new ATOM 0 HB2 GLU A 33 9.436 -1.596 -7.695 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.344 -3.215 -7.030 1.00 0.00 H new ATOM 0 HG2 GLU A 33 11.018 -3.245 -8.729 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.641 -4.137 -9.344 1.00 0.00 H new ATOM 510 N LEU A 34 6.447 -1.384 -6.511 1.00 0.00 N ATOM 511 CA LEU A 34 5.593 -1.188 -5.349 1.00 0.00 C ATOM 512 C LEU A 34 4.256 -1.889 -5.552 1.00 0.00 C ATOM 513 O LEU A 34 3.879 -2.761 -4.778 1.00 0.00 O ATOM 514 CB LEU A 34 5.346 0.312 -5.138 1.00 0.00 C ATOM 515 CG LEU A 34 4.253 0.664 -4.126 1.00 0.00 C ATOM 516 CD1 LEU A 34 4.798 0.648 -2.707 1.00 0.00 C ATOM 517 CD2 LEU A 34 3.635 2.012 -4.463 1.00 0.00 C ATOM 0 H LEU A 34 6.695 -0.523 -6.999 1.00 0.00 H new ATOM 0 HA LEU A 34 6.090 -1.609 -4.475 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.279 0.774 -4.814 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.085 0.758 -6.098 1.00 0.00 H new ATOM 0 HG LEU A 34 3.472 -0.094 -4.185 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.001 0.902 -2.008 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.181 -0.346 -2.476 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.604 1.377 -2.618 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.859 2.249 -3.735 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.406 2.782 -4.436 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.196 1.972 -5.460 1.00 0.00 H new ATOM 529 N LEU A 35 3.577 -1.529 -6.632 1.00 0.00 N ATOM 530 CA LEU A 35 2.249 -2.040 -6.928 1.00 0.00 C ATOM 531 C LEU A 35 2.280 -3.527 -7.257 1.00 0.00 C ATOM 532 O LEU A 35 1.412 -4.292 -6.830 1.00 0.00 O ATOM 533 CB LEU A 35 1.657 -1.240 -8.089 1.00 0.00 C ATOM 534 CG LEU A 35 1.460 0.253 -7.802 1.00 0.00 C ATOM 535 CD1 LEU A 35 1.101 1.005 -9.072 1.00 0.00 C ATOM 536 CD2 LEU A 35 0.384 0.456 -6.745 1.00 0.00 C ATOM 0 H LEU A 35 3.933 -0.873 -7.328 1.00 0.00 H new ATOM 0 HA LEU A 35 1.622 -1.924 -6.044 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.309 -1.347 -8.956 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.694 -1.675 -8.359 1.00 0.00 H new ATOM 0 HG LEU A 35 2.401 0.652 -7.422 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.966 2.062 -8.843 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.903 0.891 -9.801 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.176 0.602 -9.484 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.258 1.522 -6.554 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.558 0.037 -7.099 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.680 -0.045 -5.823 1.00 0.00 H new ATOM 548 N LYS A 36 3.298 -3.934 -7.998 1.00 0.00 N ATOM 549 CA LYS A 36 3.406 -5.309 -8.462 1.00 0.00 C ATOM 550 C LYS A 36 3.735 -6.254 -7.316 1.00 0.00 C ATOM 551 O LYS A 36 3.304 -7.407 -7.315 1.00 0.00 O ATOM 552 CB LYS A 36 4.446 -5.423 -9.584 1.00 0.00 C ATOM 553 CG LYS A 36 4.043 -4.691 -10.857 1.00 0.00 C ATOM 554 CD LYS A 36 2.731 -5.213 -11.419 1.00 0.00 C ATOM 555 CE LYS A 36 2.236 -4.353 -12.567 1.00 0.00 C ATOM 556 NZ LYS A 36 0.897 -4.786 -13.046 1.00 0.00 N ATOM 0 H LYS A 36 4.065 -3.329 -8.292 1.00 0.00 H new ATOM 0 HA LYS A 36 2.437 -5.604 -8.865 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.397 -5.025 -9.230 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.607 -6.476 -9.815 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.950 -3.625 -10.649 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.828 -4.803 -11.604 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.864 -6.239 -11.763 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.979 -5.236 -10.630 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.188 -3.312 -12.247 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.949 -4.401 -13.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.354 -3.955 -13.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.010 -5.445 -13.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.389 -5.261 -12.273 1.00 0.00 H new ATOM 570 N ALA A 37 4.492 -5.765 -6.340 1.00 0.00 N ATOM 571 CA ALA A 37 4.817 -6.559 -5.161 1.00 0.00 C ATOM 572 C ALA A 37 3.552 -6.968 -4.423 1.00 0.00 C ATOM 573 O ALA A 37 3.432 -8.098 -3.962 1.00 0.00 O ATOM 574 CB ALA A 37 5.730 -5.787 -4.225 1.00 0.00 C ATOM 0 H ALA A 37 4.891 -4.826 -6.342 1.00 0.00 H new ATOM 0 HA ALA A 37 5.336 -7.457 -5.497 1.00 0.00 H new ATOM 0 HB1 ALA A 37 5.959 -6.399 -3.353 1.00 0.00 H new ATOM 0 HB2 ALA A 37 6.655 -5.535 -4.744 1.00 0.00 H new ATOM 0 HB3 ALA A 37 5.233 -4.871 -3.905 1.00 0.00 H new ATOM 580 N LEU A 38 2.601 -6.049 -4.346 1.00 0.00 N ATOM 581 CA LEU A 38 1.349 -6.287 -3.638 1.00 0.00 C ATOM 582 C LEU A 38 0.529 -7.312 -4.390 1.00 0.00 C ATOM 583 O LEU A 38 0.058 -8.291 -3.814 1.00 0.00 O ATOM 584 CB LEU A 38 0.539 -5.004 -3.513 1.00 0.00 C ATOM 585 CG LEU A 38 1.345 -3.717 -3.618 1.00 0.00 C ATOM 586 CD1 LEU A 38 0.428 -2.554 -3.910 1.00 0.00 C ATOM 587 CD2 LEU A 38 2.138 -3.465 -2.346 1.00 0.00 C ATOM 0 H LEU A 38 2.673 -5.123 -4.769 1.00 0.00 H new ATOM 0 HA LEU A 38 1.588 -6.651 -2.639 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.226 -4.999 -4.289 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.021 -5.012 -2.554 1.00 0.00 H new ATOM 0 HG LEU A 38 2.054 -3.822 -4.439 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.014 -1.638 -3.983 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.092 -2.728 -4.852 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.301 -2.455 -3.106 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.705 -2.539 -2.448 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.454 -3.381 -1.502 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.825 -4.294 -2.175 1.00 0.00 H new ATOM 599 N GLU A 39 0.366 -7.072 -5.686 1.00 0.00 N ATOM 600 CA GLU A 39 -0.284 -8.033 -6.570 1.00 0.00 C ATOM 601 C GLU A 39 0.364 -9.413 -6.434 1.00 0.00 C ATOM 602 O GLU A 39 -0.285 -10.443 -6.623 1.00 0.00 O ATOM 603 CB GLU A 39 -0.204 -7.557 -8.024 1.00 0.00 C ATOM 604 CG GLU A 39 -0.764 -6.159 -8.237 1.00 0.00 C ATOM 605 CD GLU A 39 -1.022 -5.840 -9.696 1.00 0.00 C ATOM 606 OE1 GLU A 39 -0.104 -6.007 -10.526 1.00 0.00 O ATOM 607 OE2 GLU A 39 -2.152 -5.428 -10.023 1.00 0.00 O ATOM 0 H GLU A 39 0.676 -6.218 -6.149 1.00 0.00 H new ATOM 0 HA GLU A 39 -1.332 -8.110 -6.281 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.837 -7.576 -8.347 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.747 -8.258 -8.658 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.695 -6.057 -7.679 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.066 -5.428 -7.829 1.00 0.00 H new ATOM 614 N THR A 40 1.645 -9.421 -6.090 1.00 0.00 N ATOM 615 CA THR A 40 2.372 -10.653 -5.835 1.00 0.00 C ATOM 616 C THR A 40 1.971 -11.266 -4.491 1.00 0.00 C ATOM 617 O THR A 40 1.799 -12.482 -4.378 1.00 0.00 O ATOM 618 CB THR A 40 3.892 -10.389 -5.835 1.00 0.00 C ATOM 619 OG1 THR A 40 4.347 -10.123 -7.166 1.00 0.00 O ATOM 620 CG2 THR A 40 4.654 -11.562 -5.242 1.00 0.00 C ATOM 0 H THR A 40 2.206 -8.576 -5.981 1.00 0.00 H new ATOM 0 HA THR A 40 2.119 -11.354 -6.631 1.00 0.00 H new ATOM 0 HB THR A 40 4.083 -9.515 -5.212 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.085 -9.215 -7.426 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.722 -11.346 -5.256 1.00 0.00 H new ATOM 0 HG22 THR A 40 4.330 -11.724 -4.214 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.457 -12.458 -5.830 1.00 0.00 H new ATOM 628 N MET A 41 1.810 -10.413 -3.487 1.00 0.00 N ATOM 629 CA MET A 41 1.587 -10.849 -2.112 1.00 0.00 C ATOM 630 C MET A 41 0.396 -11.795 -1.998 1.00 0.00 C ATOM 631 O MET A 41 0.523 -12.916 -1.505 1.00 0.00 O ATOM 632 CB MET A 41 1.329 -9.632 -1.221 1.00 0.00 C ATOM 633 CG MET A 41 2.443 -8.598 -1.240 1.00 0.00 C ATOM 634 SD MET A 41 3.865 -9.065 -0.239 1.00 0.00 S ATOM 635 CE MET A 41 3.171 -8.936 1.406 1.00 0.00 C ATOM 0 H MET A 41 1.830 -9.400 -3.602 1.00 0.00 H new ATOM 0 HA MET A 41 2.482 -11.382 -1.792 1.00 0.00 H new ATOM 0 HB2 MET A 41 0.401 -9.155 -1.536 1.00 0.00 H new ATOM 0 HB3 MET A 41 1.181 -9.971 -0.196 1.00 0.00 H new ATOM 0 HG2 MET A 41 2.767 -8.442 -2.269 1.00 0.00 H new ATOM 0 HG3 MET A 41 2.052 -7.646 -0.881 1.00 0.00 H new ATOM 0 HE1 MET A 41 3.754 -8.226 1.992 1.00 0.00 H new ATOM 0 HE2 MET A 41 2.139 -8.591 1.340 1.00 0.00 H new ATOM 0 HE3 MET A 41 3.196 -9.913 1.889 1.00 0.00 H new ATOM 645 N PHE A 42 -0.758 -11.340 -2.463 1.00 0.00 N ATOM 646 CA PHE A 42 -1.988 -12.124 -2.358 1.00 0.00 C ATOM 647 C PHE A 42 -2.331 -12.784 -3.684 1.00 0.00 C ATOM 648 O PHE A 42 -3.418 -13.338 -3.856 1.00 0.00 O ATOM 649 CB PHE A 42 -3.153 -11.248 -1.882 1.00 0.00 C ATOM 650 CG PHE A 42 -2.757 -9.829 -1.592 1.00 0.00 C ATOM 651 CD1 PHE A 42 -2.791 -8.871 -2.592 1.00 0.00 C ATOM 652 CD2 PHE A 42 -2.331 -9.457 -0.326 1.00 0.00 C ATOM 653 CE1 PHE A 42 -2.411 -7.576 -2.335 1.00 0.00 C ATOM 654 CE2 PHE A 42 -1.952 -8.158 -0.067 1.00 0.00 C ATOM 655 CZ PHE A 42 -1.992 -7.220 -1.076 1.00 0.00 C ATOM 0 H PHE A 42 -0.872 -10.434 -2.917 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.820 -12.908 -1.620 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -3.933 -11.251 -2.643 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.584 -11.688 -0.982 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -3.120 -9.145 -3.584 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -2.296 -10.192 0.464 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -2.442 -6.838 -3.123 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -1.625 -7.876 0.923 1.00 0.00 H new ATOM 0 HZ PHE A 42 -1.693 -6.202 -0.876 1.00 0.00 H new ATOM 665 N LYS A 43 -1.384 -12.709 -4.614 1.00 0.00 N ATOM 666 CA LYS A 43 -1.483 -13.385 -5.910 1.00 0.00 C ATOM 667 C LYS A 43 -2.725 -12.950 -6.688 1.00 0.00 C ATOM 668 O LYS A 43 -3.425 -13.775 -7.276 1.00 0.00 O ATOM 669 CB LYS A 43 -1.489 -14.909 -5.731 1.00 0.00 C ATOM 670 CG LYS A 43 -0.303 -15.445 -4.944 1.00 0.00 C ATOM 671 CD LYS A 43 -0.623 -15.608 -3.467 1.00 0.00 C ATOM 672 CE LYS A 43 0.559 -16.180 -2.704 1.00 0.00 C ATOM 673 NZ LYS A 43 0.933 -17.532 -3.197 1.00 0.00 N ATOM 0 H LYS A 43 -0.522 -12.177 -4.493 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.605 -13.095 -6.487 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.409 -15.201 -5.225 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.502 -15.380 -6.714 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.000 -16.407 -5.357 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.543 -14.768 -5.058 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.898 -14.642 -3.044 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.485 -16.264 -3.350 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.413 -15.509 -2.800 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.315 -16.235 -1.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.560 -17.992 -2.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.075 -18.106 -3.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.427 -17.445 -4.108 1.00 0.00 H new ATOM 687 N LEU A 44 -2.985 -11.653 -6.702 1.00 0.00 N ATOM 688 CA LEU A 44 -4.135 -11.111 -7.410 1.00 0.00 C ATOM 689 C LEU A 44 -3.784 -9.760 -8.011 1.00 0.00 C ATOM 690 O LEU A 44 -2.627 -9.359 -7.995 1.00 0.00 O ATOM 691 CB LEU A 44 -5.345 -11.015 -6.478 1.00 0.00 C ATOM 692 CG LEU A 44 -5.096 -10.359 -5.121 1.00 0.00 C ATOM 693 CD1 LEU A 44 -5.202 -8.843 -5.211 1.00 0.00 C ATOM 694 CD2 LEU A 44 -6.071 -10.910 -4.102 1.00 0.00 C ATOM 0 H LEU A 44 -2.413 -10.953 -6.229 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.403 -11.784 -8.224 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.129 -10.458 -6.990 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.728 -12.021 -6.308 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.080 -10.594 -4.803 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.020 -8.407 -4.229 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.462 -8.468 -5.918 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -6.200 -8.568 -5.551 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.891 -10.440 -3.135 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.091 -10.699 -4.423 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.934 -11.988 -4.013 1.00 0.00 H new ATOM 706 N THR A 45 -4.772 -9.069 -8.541 1.00 0.00 N ATOM 707 CA THR A 45 -4.532 -7.814 -9.226 1.00 0.00 C ATOM 708 C THR A 45 -5.154 -6.641 -8.470 1.00 0.00 C ATOM 709 O THR A 45 -6.361 -6.615 -8.226 1.00 0.00 O ATOM 710 CB THR A 45 -5.088 -7.880 -10.660 1.00 0.00 C ATOM 711 OG1 THR A 45 -4.556 -9.039 -11.322 1.00 0.00 O ATOM 712 CG2 THR A 45 -4.735 -6.632 -11.451 1.00 0.00 C ATOM 0 H THR A 45 -5.751 -9.355 -8.511 1.00 0.00 H new ATOM 0 HA THR A 45 -3.455 -7.652 -9.267 1.00 0.00 H new ATOM 0 HB THR A 45 -6.175 -7.945 -10.604 1.00 0.00 H new ATOM 0 HG1 THR A 45 -4.909 -9.085 -12.235 1.00 0.00 H new ATOM 0 HG21 THR A 45 -5.143 -6.712 -12.459 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.157 -5.757 -10.957 1.00 0.00 H new ATOM 0 HG23 THR A 45 -3.651 -6.530 -11.506 1.00 0.00 H new ATOM 720 N ILE A 46 -4.313 -5.683 -8.088 1.00 0.00 N ATOM 721 CA ILE A 46 -4.766 -4.486 -7.399 1.00 0.00 C ATOM 722 C ILE A 46 -5.230 -3.454 -8.414 1.00 0.00 C ATOM 723 O ILE A 46 -6.051 -2.572 -8.133 1.00 0.00 O ATOM 724 CB ILE A 46 -3.644 -3.897 -6.501 1.00 0.00 C ATOM 725 CG1 ILE A 46 -3.213 -4.910 -5.429 1.00 0.00 C ATOM 726 CG2 ILE A 46 -4.091 -2.600 -5.840 1.00 0.00 C ATOM 727 CD1 ILE A 46 -4.359 -5.413 -4.583 1.00 0.00 C ATOM 0 H ILE A 46 -3.306 -5.717 -8.248 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.602 -4.755 -6.753 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.790 -3.680 -7.143 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.730 -5.758 -5.914 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.469 -4.447 -4.781 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.284 -2.212 -5.218 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.342 -1.868 -6.608 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.967 -2.791 -5.221 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.983 -6.124 -3.847 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.828 -4.574 -4.070 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.094 -5.905 -5.221 1.00 0.00 H new ATOM 739 N GLY A 47 -4.720 -3.614 -9.610 1.00 0.00 N ATOM 740 CA GLY A 47 -5.062 -2.728 -10.697 1.00 0.00 C ATOM 741 C GLY A 47 -4.134 -1.541 -10.791 1.00 0.00 C ATOM 742 O GLY A 47 -3.046 -1.539 -10.213 1.00 0.00 O ATOM 0 H GLY A 47 -4.063 -4.354 -9.857 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -5.034 -3.282 -11.635 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.085 -2.375 -10.566 1.00 0.00 H new ATOM 746 N GLU A 48 -4.562 -0.545 -11.538 1.00 0.00 N ATOM 747 CA GLU A 48 -3.804 0.686 -11.696 1.00 0.00 C ATOM 748 C GLU A 48 -4.241 1.704 -10.652 1.00 0.00 C ATOM 749 O GLU A 48 -5.317 1.574 -10.057 1.00 0.00 O ATOM 750 CB GLU A 48 -4.047 1.278 -13.082 1.00 0.00 C ATOM 751 CG GLU A 48 -3.841 0.302 -14.226 1.00 0.00 C ATOM 752 CD GLU A 48 -4.276 0.886 -15.554 1.00 0.00 C ATOM 753 OE1 GLU A 48 -5.479 0.785 -15.886 1.00 0.00 O ATOM 754 OE2 GLU A 48 -3.425 1.453 -16.270 1.00 0.00 O ATOM 0 H GLU A 48 -5.442 -0.562 -12.053 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.746 0.456 -11.572 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.067 1.661 -13.126 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.380 2.129 -13.222 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.789 0.023 -14.280 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.403 -0.611 -14.030 1.00 0.00 H new ATOM 761 N TYR A 49 -3.418 2.720 -10.431 1.00 0.00 N ATOM 762 CA TYR A 49 -3.825 3.837 -9.599 1.00 0.00 C ATOM 763 C TYR A 49 -4.688 4.770 -10.434 1.00 0.00 C ATOM 764 O TYR A 49 -4.228 5.810 -10.909 1.00 0.00 O ATOM 765 CB TYR A 49 -2.616 4.588 -9.022 1.00 0.00 C ATOM 766 CG TYR A 49 -2.995 5.620 -7.975 1.00 0.00 C ATOM 767 CD1 TYR A 49 -3.305 5.232 -6.679 1.00 0.00 C ATOM 768 CD2 TYR A 49 -3.052 6.973 -8.283 1.00 0.00 C ATOM 769 CE1 TYR A 49 -3.661 6.161 -5.713 1.00 0.00 C ATOM 770 CE2 TYR A 49 -3.407 7.909 -7.329 1.00 0.00 C ATOM 771 CZ TYR A 49 -3.711 7.499 -6.047 1.00 0.00 C ATOM 772 OH TYR A 49 -4.071 8.432 -5.099 1.00 0.00 O ATOM 0 H TYR A 49 -2.475 2.791 -10.813 1.00 0.00 H new ATOM 0 HA TYR A 49 -4.394 3.459 -8.750 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -1.927 3.868 -8.580 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -2.083 5.083 -9.834 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -3.268 4.185 -6.417 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -2.815 7.300 -9.285 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -3.897 5.840 -4.709 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -3.446 8.957 -7.586 1.00 0.00 H new ATOM 0 HH TYR A 49 -4.751 8.050 -4.506 1.00 0.00 H new ATOM 782 N SER A 50 -5.927 4.346 -10.651 1.00 0.00 N ATOM 783 CA SER A 50 -6.896 5.113 -11.415 1.00 0.00 C ATOM 784 C SER A 50 -6.946 6.554 -10.932 1.00 0.00 C ATOM 785 O SER A 50 -7.102 6.812 -9.748 1.00 0.00 O ATOM 786 CB SER A 50 -8.260 4.462 -11.275 1.00 0.00 C ATOM 787 OG SER A 50 -8.185 3.078 -11.561 1.00 0.00 O ATOM 0 H SER A 50 -6.286 3.458 -10.300 1.00 0.00 H new ATOM 0 HA SER A 50 -6.599 5.123 -12.464 1.00 0.00 H new ATOM 0 HB2 SER A 50 -8.637 4.609 -10.263 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.968 4.940 -11.952 1.00 0.00 H new ATOM 0 HG SER A 50 -9.050 2.767 -11.901 1.00 0.00 H new ATOM 793 N GLU A 51 -6.832 7.486 -11.855 1.00 0.00 N ATOM 794 CA GLU A 51 -6.727 8.891 -11.507 1.00 0.00 C ATOM 795 C GLU A 51 -8.031 9.406 -10.911 1.00 0.00 C ATOM 796 O GLU A 51 -8.054 10.449 -10.255 1.00 0.00 O ATOM 797 CB GLU A 51 -6.350 9.701 -12.743 1.00 0.00 C ATOM 798 CG GLU A 51 -5.056 9.239 -13.389 1.00 0.00 C ATOM 799 CD GLU A 51 -4.764 9.956 -14.688 1.00 0.00 C ATOM 800 OE1 GLU A 51 -4.139 11.037 -14.650 1.00 0.00 O ATOM 801 OE2 GLU A 51 -5.154 9.440 -15.755 1.00 0.00 O ATOM 0 H GLU A 51 -6.809 7.296 -12.857 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.948 9.004 -10.753 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.157 9.635 -13.473 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.256 10.751 -12.466 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -4.231 9.401 -12.696 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.110 8.166 -13.575 1.00 0.00 H new ATOM 808 N ARG A 52 -9.115 8.669 -11.133 1.00 0.00 N ATOM 809 CA ARG A 52 -10.415 9.076 -10.633 1.00 0.00 C ATOM 810 C ARG A 52 -10.547 8.858 -9.121 1.00 0.00 C ATOM 811 O ARG A 52 -10.914 9.786 -8.398 1.00 0.00 O ATOM 812 CB ARG A 52 -11.538 8.371 -11.410 1.00 0.00 C ATOM 813 CG ARG A 52 -11.444 6.856 -11.435 1.00 0.00 C ATOM 814 CD ARG A 52 -12.308 6.204 -10.365 1.00 0.00 C ATOM 815 NE ARG A 52 -12.364 4.749 -10.534 1.00 0.00 N ATOM 816 CZ ARG A 52 -13.338 3.966 -10.058 1.00 0.00 C ATOM 817 NH1 ARG A 52 -14.325 4.479 -9.340 1.00 0.00 N ATOM 818 NH2 ARG A 52 -13.324 2.663 -10.311 1.00 0.00 N ATOM 0 H ARG A 52 -9.115 7.792 -11.654 1.00 0.00 H new ATOM 0 HA ARG A 52 -10.511 10.149 -10.799 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -12.496 8.654 -10.973 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -11.535 8.738 -12.436 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -11.749 6.492 -12.416 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -10.406 6.557 -11.292 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -11.909 6.442 -9.379 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -13.316 6.616 -10.409 1.00 0.00 H new ATOM 0 HE ARG A 52 -11.607 4.302 -11.051 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -14.347 5.480 -9.145 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -15.063 3.873 -8.982 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -12.571 2.260 -10.868 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -14.067 2.065 -9.948 1.00 0.00 H new ATOM 832 N GLU A 53 -10.252 7.654 -8.625 1.00 0.00 N ATOM 833 CA GLU A 53 -10.282 7.433 -7.181 1.00 0.00 C ATOM 834 C GLU A 53 -8.950 6.931 -6.634 1.00 0.00 C ATOM 835 O GLU A 53 -8.572 7.244 -5.511 1.00 0.00 O ATOM 836 CB GLU A 53 -11.380 6.447 -6.791 1.00 0.00 C ATOM 837 CG GLU A 53 -12.771 7.037 -6.862 1.00 0.00 C ATOM 838 CD GLU A 53 -13.842 6.059 -6.431 1.00 0.00 C ATOM 839 OE1 GLU A 53 -13.628 5.341 -5.437 1.00 0.00 O ATOM 840 OE2 GLU A 53 -14.907 6.013 -7.082 1.00 0.00 O ATOM 0 H GLU A 53 -9.997 6.840 -9.184 1.00 0.00 H new ATOM 0 HA GLU A 53 -10.489 8.408 -6.739 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -11.328 5.578 -7.448 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -11.196 6.092 -5.777 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -12.818 7.923 -6.229 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -12.972 7.363 -7.883 1.00 0.00 H new ATOM 847 N GLY A 54 -8.226 6.206 -7.477 1.00 0.00 N ATOM 848 CA GLY A 54 -6.969 5.565 -7.103 1.00 0.00 C ATOM 849 C GLY A 54 -7.009 4.763 -5.821 1.00 0.00 C ATOM 850 O GLY A 54 -5.965 4.369 -5.332 1.00 0.00 O ATOM 0 H GLY A 54 -8.496 6.044 -8.447 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.660 4.906 -7.915 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -6.202 6.334 -7.007 1.00 0.00 H new ATOM 854 N TYR A 55 -8.187 4.483 -5.287 1.00 0.00 N ATOM 855 CA TYR A 55 -8.276 3.717 -4.053 1.00 0.00 C ATOM 856 C TYR A 55 -9.163 2.498 -4.243 1.00 0.00 C ATOM 857 O TYR A 55 -9.514 1.823 -3.280 1.00 0.00 O ATOM 858 CB TYR A 55 -8.796 4.585 -2.899 1.00 0.00 C ATOM 859 CG TYR A 55 -8.076 5.904 -2.734 1.00 0.00 C ATOM 860 CD1 TYR A 55 -6.695 6.010 -2.872 1.00 0.00 C ATOM 861 CD2 TYR A 55 -8.793 7.051 -2.440 1.00 0.00 C ATOM 862 CE1 TYR A 55 -6.056 7.223 -2.717 1.00 0.00 C ATOM 863 CE2 TYR A 55 -8.164 8.265 -2.283 1.00 0.00 C ATOM 864 CZ TYR A 55 -6.793 8.349 -2.421 1.00 0.00 C ATOM 865 OH TYR A 55 -6.159 9.561 -2.255 1.00 0.00 O ATOM 0 H TYR A 55 -9.083 4.769 -5.681 1.00 0.00 H new ATOM 0 HA TYR A 55 -7.272 3.379 -3.795 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -9.856 4.782 -3.058 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -8.712 4.021 -1.970 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -6.115 5.129 -3.104 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -9.866 6.992 -2.332 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -4.984 7.290 -2.827 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -8.741 9.149 -2.053 1.00 0.00 H new ATOM 0 HH TYR A 55 -5.219 9.477 -2.519 1.00 0.00 H new ATOM 875 N LYS A 56 -9.519 2.225 -5.496 1.00 0.00 N ATOM 876 CA LYS A 56 -10.387 1.093 -5.812 1.00 0.00 C ATOM 877 C LYS A 56 -9.750 -0.232 -5.396 1.00 0.00 C ATOM 878 O LYS A 56 -10.368 -1.039 -4.706 1.00 0.00 O ATOM 879 CB LYS A 56 -10.752 1.049 -7.309 1.00 0.00 C ATOM 880 CG LYS A 56 -10.120 2.136 -8.177 1.00 0.00 C ATOM 881 CD LYS A 56 -8.659 1.851 -8.526 1.00 0.00 C ATOM 882 CE LYS A 56 -8.499 0.809 -9.638 1.00 0.00 C ATOM 883 NZ LYS A 56 -8.984 -0.548 -9.263 1.00 0.00 N ATOM 0 H LYS A 56 -9.222 2.769 -6.306 1.00 0.00 H new ATOM 0 HA LYS A 56 -11.304 1.236 -5.240 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -10.461 0.077 -7.707 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.836 1.120 -7.402 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -10.694 2.237 -9.098 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -10.183 3.091 -7.656 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -8.178 2.779 -8.834 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -8.139 1.503 -7.633 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -9.041 1.147 -10.521 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -7.447 0.745 -9.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -8.467 -1.265 -9.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -8.823 -0.706 -8.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -10.001 -0.622 -9.468 1.00 0.00 H new ATOM 897 N GLY A 57 -8.505 -0.438 -5.829 1.00 0.00 N ATOM 898 CA GLY A 57 -7.736 -1.618 -5.444 1.00 0.00 C ATOM 899 C GLY A 57 -8.330 -2.951 -5.890 1.00 0.00 C ATOM 900 O GLY A 57 -7.781 -4.006 -5.567 1.00 0.00 O ATOM 0 H GLY A 57 -8.008 0.201 -6.449 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -6.731 -1.529 -5.858 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.634 -1.628 -4.359 1.00 0.00 H new ATOM 904 N SER A 58 -9.438 -2.911 -6.628 1.00 0.00 N ATOM 905 CA SER A 58 -10.139 -4.119 -7.060 1.00 0.00 C ATOM 906 C SER A 58 -10.759 -4.826 -5.852 1.00 0.00 C ATOM 907 O SER A 58 -11.918 -4.577 -5.511 1.00 0.00 O ATOM 908 CB SER A 58 -9.206 -5.057 -7.842 1.00 0.00 C ATOM 909 OG SER A 58 -9.907 -6.180 -8.346 1.00 0.00 O ATOM 0 H SER A 58 -9.874 -2.044 -6.942 1.00 0.00 H new ATOM 0 HA SER A 58 -10.942 -3.829 -7.738 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.748 -4.512 -8.667 1.00 0.00 H new ATOM 0 HB3 SER A 58 -8.397 -5.392 -7.193 1.00 0.00 H new ATOM 0 HG SER A 58 -9.288 -6.757 -8.840 1.00 0.00 H new ATOM 915 N GLU A 59 -9.993 -5.687 -5.194 1.00 0.00 N ATOM 916 CA GLU A 59 -10.459 -6.329 -3.976 1.00 0.00 C ATOM 917 C GLU A 59 -9.576 -5.941 -2.797 1.00 0.00 C ATOM 918 O GLU A 59 -9.874 -6.275 -1.652 1.00 0.00 O ATOM 919 CB GLU A 59 -10.498 -7.851 -4.134 1.00 0.00 C ATOM 920 CG GLU A 59 -11.219 -8.547 -2.991 1.00 0.00 C ATOM 921 CD GLU A 59 -11.347 -10.041 -3.187 1.00 0.00 C ATOM 922 OE1 GLU A 59 -12.144 -10.462 -4.054 1.00 0.00 O ATOM 923 OE2 GLU A 59 -10.668 -10.803 -2.465 1.00 0.00 O ATOM 0 H GLU A 59 -9.052 -5.954 -5.483 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.474 -5.983 -3.782 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -10.991 -8.101 -5.073 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -9.478 -8.231 -4.198 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.684 -8.354 -2.061 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -12.214 -8.115 -2.881 1.00 0.00 H new ATOM 930 N TYR A 60 -8.489 -5.233 -3.072 1.00 0.00 N ATOM 931 CA TYR A 60 -7.565 -4.833 -2.022 1.00 0.00 C ATOM 932 C TYR A 60 -7.003 -3.447 -2.279 1.00 0.00 C ATOM 933 O TYR A 60 -6.412 -3.197 -3.323 1.00 0.00 O ATOM 934 CB TYR A 60 -6.408 -5.832 -1.924 1.00 0.00 C ATOM 935 CG TYR A 60 -6.796 -7.144 -1.287 1.00 0.00 C ATOM 936 CD1 TYR A 60 -6.770 -7.290 0.085 1.00 0.00 C ATOM 937 CD2 TYR A 60 -7.210 -8.225 -2.053 1.00 0.00 C ATOM 938 CE1 TYR A 60 -7.146 -8.467 0.688 1.00 0.00 C ATOM 939 CE2 TYR A 60 -7.584 -9.414 -1.459 1.00 0.00 C ATOM 940 CZ TYR A 60 -7.553 -9.530 -0.087 1.00 0.00 C ATOM 941 OH TYR A 60 -7.935 -10.710 0.510 1.00 0.00 O ATOM 0 H TYR A 60 -8.227 -4.926 -4.009 1.00 0.00 H new ATOM 0 HA TYR A 60 -8.121 -4.817 -1.085 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -6.019 -6.024 -2.924 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -5.599 -5.383 -1.348 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.447 -6.462 0.698 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -7.240 -8.135 -3.129 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -7.122 -8.557 1.764 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -7.899 -10.249 -2.067 1.00 0.00 H new ATOM 0 HH TYR A 60 -7.861 -10.623 1.483 1.00 0.00 H new ATOM 951 N ALA A 61 -7.161 -2.555 -1.319 1.00 0.00 N ATOM 952 CA ALA A 61 -6.543 -1.246 -1.415 1.00 0.00 C ATOM 953 C ALA A 61 -5.337 -1.189 -0.501 1.00 0.00 C ATOM 954 O ALA A 61 -5.477 -1.132 0.721 1.00 0.00 O ATOM 955 CB ALA A 61 -7.535 -0.141 -1.077 1.00 0.00 C ATOM 0 H ALA A 61 -7.707 -2.710 -0.471 1.00 0.00 H new ATOM 0 HA ALA A 61 -6.219 -1.086 -2.443 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -7.042 0.828 -1.158 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -8.374 -0.180 -1.772 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -7.900 -0.279 -0.059 1.00 0.00 H new ATOM 961 N PRO A 62 -4.129 -1.252 -1.077 1.00 0.00 N ATOM 962 CA PRO A 62 -2.898 -1.125 -0.306 1.00 0.00 C ATOM 963 C PRO A 62 -2.731 0.283 0.221 1.00 0.00 C ATOM 964 O PRO A 62 -2.652 1.236 -0.546 1.00 0.00 O ATOM 965 CB PRO A 62 -1.804 -1.452 -1.326 1.00 0.00 C ATOM 966 CG PRO A 62 -2.419 -1.145 -2.649 1.00 0.00 C ATOM 967 CD PRO A 62 -3.872 -1.478 -2.509 1.00 0.00 C ATOM 0 HA PRO A 62 -2.878 -1.776 0.568 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -0.911 -0.851 -1.155 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -1.502 -2.497 -1.262 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -2.281 -0.096 -2.910 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -1.957 -1.734 -3.441 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -4.494 -0.840 -3.136 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -4.079 -2.508 -2.798 1.00 0.00 H new ATOM 975 N THR A 63 -2.645 0.406 1.527 1.00 0.00 N ATOM 976 CA THR A 63 -2.580 1.704 2.155 1.00 0.00 C ATOM 977 C THR A 63 -1.423 1.762 3.136 1.00 0.00 C ATOM 978 O THR A 63 -0.849 0.732 3.500 1.00 0.00 O ATOM 979 CB THR A 63 -3.904 2.048 2.876 1.00 0.00 C ATOM 980 OG1 THR A 63 -4.207 1.057 3.868 1.00 0.00 O ATOM 981 CG2 THR A 63 -5.060 2.141 1.884 1.00 0.00 C ATOM 0 H THR A 63 -2.618 -0.381 2.175 1.00 0.00 H new ATOM 0 HA THR A 63 -2.419 2.443 1.371 1.00 0.00 H new ATOM 0 HB THR A 63 -3.776 3.017 3.359 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.596 0.297 3.769 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.979 2.384 2.418 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.849 2.920 1.151 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.179 1.185 1.373 1.00 0.00 H new ATOM 989 N TYR A 64 -1.080 2.962 3.549 1.00 0.00 N ATOM 990 CA TYR A 64 0.027 3.172 4.458 1.00 0.00 C ATOM 991 C TYR A 64 -0.382 4.181 5.517 1.00 0.00 C ATOM 992 O TYR A 64 -1.374 4.888 5.348 1.00 0.00 O ATOM 993 CB TYR A 64 1.240 3.694 3.693 1.00 0.00 C ATOM 994 CG TYR A 64 1.149 5.167 3.383 1.00 0.00 C ATOM 995 CD1 TYR A 64 0.123 5.664 2.597 1.00 0.00 C ATOM 996 CD2 TYR A 64 2.077 6.058 3.896 1.00 0.00 C ATOM 997 CE1 TYR A 64 0.022 7.006 2.326 1.00 0.00 C ATOM 998 CE2 TYR A 64 1.990 7.407 3.630 1.00 0.00 C ATOM 999 CZ TYR A 64 0.961 7.879 2.845 1.00 0.00 C ATOM 1000 OH TYR A 64 0.872 9.222 2.578 1.00 0.00 O ATOM 0 H TYR A 64 -1.558 3.817 3.266 1.00 0.00 H new ATOM 0 HA TYR A 64 0.290 2.226 4.932 1.00 0.00 H new ATOM 0 HB2 TYR A 64 2.140 3.506 4.278 1.00 0.00 H new ATOM 0 HB3 TYR A 64 1.343 3.137 2.761 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -0.611 4.984 2.190 1.00 0.00 H new ATOM 0 HD2 TYR A 64 2.882 5.689 4.515 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -0.785 7.378 1.712 1.00 0.00 H new ATOM 0 HE2 TYR A 64 2.723 8.089 4.034 1.00 0.00 H new ATOM 0 HH TYR A 64 1.609 9.693 3.020 1.00 0.00 H new ATOM 1010 N GLU A 65 0.379 4.257 6.592 1.00 0.00 N ATOM 1011 CA GLU A 65 0.069 5.188 7.664 1.00 0.00 C ATOM 1012 C GLU A 65 1.016 6.380 7.621 1.00 0.00 C ATOM 1013 O GLU A 65 2.238 6.217 7.685 1.00 0.00 O ATOM 1014 CB GLU A 65 0.159 4.503 9.028 1.00 0.00 C ATOM 1015 CG GLU A 65 -0.366 5.364 10.164 1.00 0.00 C ATOM 1016 CD GLU A 65 -0.177 4.739 11.530 1.00 0.00 C ATOM 1017 OE1 GLU A 65 -1.035 3.938 11.953 1.00 0.00 O ATOM 1018 OE2 GLU A 65 0.827 5.057 12.199 1.00 0.00 O ATOM 0 H GLU A 65 1.212 3.689 6.748 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.953 5.538 7.520 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -0.404 3.570 8.997 1.00 0.00 H new ATOM 0 HB3 GLU A 65 1.198 4.242 9.229 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.139 6.330 10.141 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -1.427 5.556 10.004 1.00 0.00 H new ATOM 1025 N ASP A 66 0.444 7.570 7.491 1.00 0.00 N ATOM 1026 CA ASP A 66 1.218 8.807 7.523 1.00 0.00 C ATOM 1027 C ASP A 66 1.432 9.241 8.981 1.00 0.00 C ATOM 1028 O ASP A 66 1.096 8.491 9.894 1.00 0.00 O ATOM 1029 CB ASP A 66 0.487 9.898 6.719 1.00 0.00 C ATOM 1030 CG ASP A 66 1.306 11.160 6.532 1.00 0.00 C ATOM 1031 OD1 ASP A 66 2.222 11.165 5.693 1.00 0.00 O ATOM 1032 OD2 ASP A 66 1.055 12.148 7.251 1.00 0.00 O ATOM 0 H ASP A 66 -0.559 7.706 7.362 1.00 0.00 H new ATOM 0 HA ASP A 66 2.194 8.645 7.066 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.219 9.499 5.740 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -0.444 10.150 7.226 1.00 0.00 H new ATOM 1037 N LYS A 67 1.957 10.444 9.209 1.00 0.00 N ATOM 1038 CA LYS A 67 2.275 10.897 10.566 1.00 0.00 C ATOM 1039 C LYS A 67 0.992 11.036 11.363 1.00 0.00 C ATOM 1040 O LYS A 67 0.946 10.771 12.563 1.00 0.00 O ATOM 1041 CB LYS A 67 2.991 12.254 10.543 1.00 0.00 C ATOM 1042 CG LYS A 67 3.962 12.422 9.390 1.00 0.00 C ATOM 1043 CD LYS A 67 5.061 11.380 9.416 1.00 0.00 C ATOM 1044 CE LYS A 67 5.575 11.117 8.015 1.00 0.00 C ATOM 1045 NZ LYS A 67 4.498 10.579 7.143 1.00 0.00 N ATOM 0 H LYS A 67 2.171 11.121 8.477 1.00 0.00 H new ATOM 0 HA LYS A 67 2.934 10.160 11.025 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.244 13.046 10.493 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.531 12.384 11.481 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.420 12.353 8.447 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.405 13.417 9.431 1.00 0.00 H new ATOM 0 HD2 LYS A 67 5.878 11.720 10.052 1.00 0.00 H new ATOM 0 HD3 LYS A 67 4.683 10.455 9.851 1.00 0.00 H new ATOM 0 HE2 LYS A 67 5.966 12.041 7.588 1.00 0.00 H new ATOM 0 HE3 LYS A 67 6.403 10.409 8.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 4.622 10.939 6.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 4.545 9.540 7.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 3.572 10.881 7.509 1.00 0.00 H new ATOM 1059 N ASP A 68 -0.053 11.440 10.658 1.00 0.00 N ATOM 1060 CA ASP A 68 -1.359 11.671 11.269 1.00 0.00 C ATOM 1061 C ASP A 68 -2.028 10.354 11.648 1.00 0.00 C ATOM 1062 O ASP A 68 -2.934 10.319 12.483 1.00 0.00 O ATOM 1063 CB ASP A 68 -2.257 12.453 10.305 1.00 0.00 C ATOM 1064 CG ASP A 68 -3.625 12.746 10.887 1.00 0.00 C ATOM 1065 OD1 ASP A 68 -3.754 13.736 11.642 1.00 0.00 O ATOM 1066 OD2 ASP A 68 -4.577 11.991 10.602 1.00 0.00 O ATOM 0 H ASP A 68 -0.024 11.617 9.654 1.00 0.00 H new ATOM 0 HA ASP A 68 -1.211 12.253 12.179 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.770 13.392 10.042 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.373 11.885 9.382 1.00 0.00 H new ATOM 1071 N GLY A 69 -1.555 9.270 11.054 1.00 0.00 N ATOM 1072 CA GLY A 69 -2.181 7.984 11.267 1.00 0.00 C ATOM 1073 C GLY A 69 -3.227 7.692 10.215 1.00 0.00 C ATOM 1074 O GLY A 69 -4.014 6.757 10.351 1.00 0.00 O ATOM 0 H GLY A 69 -0.749 9.258 10.429 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -1.422 7.202 11.252 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.642 7.962 12.255 1.00 0.00 H new ATOM 1078 N ASP A 70 -3.234 8.498 9.163 1.00 0.00 N ATOM 1079 CA ASP A 70 -4.211 8.355 8.092 1.00 0.00 C ATOM 1080 C ASP A 70 -3.712 7.357 7.057 1.00 0.00 C ATOM 1081 O ASP A 70 -2.512 7.292 6.778 1.00 0.00 O ATOM 1082 CB ASP A 70 -4.472 9.707 7.431 1.00 0.00 C ATOM 1083 CG ASP A 70 -5.764 9.727 6.638 1.00 0.00 C ATOM 1084 OD1 ASP A 70 -5.738 9.406 5.434 1.00 0.00 O ATOM 1085 OD2 ASP A 70 -6.814 10.080 7.220 1.00 0.00 O ATOM 0 H ASP A 70 -2.571 9.261 9.028 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.144 7.986 8.518 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.508 10.481 8.197 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -3.640 9.951 6.770 1.00 0.00 H new ATOM 1090 N TRP A 71 -4.633 6.585 6.494 1.00 0.00 N ATOM 1091 CA TRP A 71 -4.280 5.539 5.543 1.00 0.00 C ATOM 1092 C TRP A 71 -4.781 5.880 4.147 1.00 0.00 C ATOM 1093 O TRP A 71 -5.986 5.979 3.911 1.00 0.00 O ATOM 1094 CB TRP A 71 -4.874 4.194 5.976 1.00 0.00 C ATOM 1095 CG TRP A 71 -4.489 3.758 7.358 1.00 0.00 C ATOM 1096 CD1 TRP A 71 -5.074 4.141 8.529 1.00 0.00 C ATOM 1097 CD2 TRP A 71 -3.447 2.841 7.712 1.00 0.00 C ATOM 1098 NE1 TRP A 71 -4.456 3.526 9.588 1.00 0.00 N ATOM 1099 CE2 TRP A 71 -3.453 2.725 9.113 1.00 0.00 C ATOM 1100 CE3 TRP A 71 -2.507 2.111 6.983 1.00 0.00 C ATOM 1101 CZ2 TRP A 71 -2.559 1.909 9.796 1.00 0.00 C ATOM 1102 CZ3 TRP A 71 -1.619 1.301 7.663 1.00 0.00 C ATOM 1103 CH2 TRP A 71 -1.650 1.206 9.057 1.00 0.00 C ATOM 0 H TRP A 71 -5.633 6.664 6.680 1.00 0.00 H new ATOM 0 HA TRP A 71 -3.193 5.466 5.523 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -5.961 4.256 5.918 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -4.560 3.428 5.267 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -5.903 4.828 8.611 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -4.704 3.646 10.570 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -2.475 2.178 5.906 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -2.582 1.833 10.873 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -0.888 0.731 7.108 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -0.942 0.564 9.560 1.00 0.00 H new ATOM 1114 N MET A 72 -3.850 6.071 3.229 1.00 0.00 N ATOM 1115 CA MET A 72 -4.179 6.275 1.825 1.00 0.00 C ATOM 1116 C MET A 72 -3.499 5.200 1.004 1.00 0.00 C ATOM 1117 O MET A 72 -2.544 4.577 1.471 1.00 0.00 O ATOM 1118 CB MET A 72 -3.715 7.649 1.346 1.00 0.00 C ATOM 1119 CG MET A 72 -4.326 8.810 2.104 1.00 0.00 C ATOM 1120 SD MET A 72 -3.663 10.396 1.566 1.00 0.00 S ATOM 1121 CE MET A 72 -1.911 10.127 1.836 1.00 0.00 C ATOM 0 H MET A 72 -2.850 6.089 3.431 1.00 0.00 H new ATOM 0 HA MET A 72 -5.261 6.220 1.705 1.00 0.00 H new ATOM 0 HB2 MET A 72 -2.630 7.704 1.432 1.00 0.00 H new ATOM 0 HB3 MET A 72 -3.956 7.753 0.288 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.407 8.804 1.965 1.00 0.00 H new ATOM 0 HG3 MET A 72 -4.141 8.683 3.171 1.00 0.00 H new ATOM 0 HE1 MET A 72 -1.412 11.087 1.969 1.00 0.00 H new ATOM 0 HE2 MET A 72 -1.770 9.518 2.729 1.00 0.00 H new ATOM 0 HE3 MET A 72 -1.485 9.612 0.975 1.00 0.00 H new ATOM 1131 N LEU A 73 -3.973 4.983 -0.214 1.00 0.00 N ATOM 1132 CA LEU A 73 -3.423 3.951 -1.062 1.00 0.00 C ATOM 1133 C LEU A 73 -2.033 4.368 -1.530 1.00 0.00 C ATOM 1134 O LEU A 73 -1.783 5.544 -1.810 1.00 0.00 O ATOM 1135 CB LEU A 73 -4.371 3.692 -2.237 1.00 0.00 C ATOM 1136 CG LEU A 73 -4.039 2.488 -3.123 1.00 0.00 C ATOM 1137 CD1 LEU A 73 -5.285 1.964 -3.823 1.00 0.00 C ATOM 1138 CD2 LEU A 73 -3.024 2.899 -4.154 1.00 0.00 C ATOM 0 H LEU A 73 -4.738 5.512 -0.632 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.323 3.018 -0.507 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -5.378 3.559 -1.841 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.390 4.583 -2.864 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.639 1.693 -2.493 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.020 1.109 -4.445 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.019 1.657 -3.078 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.709 2.750 -4.448 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.783 2.046 -4.788 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.433 3.703 -4.767 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.119 3.247 -3.655 1.00 0.00 H new ATOM 1150 N VAL A 74 -1.134 3.400 -1.590 1.00 0.00 N ATOM 1151 CA VAL A 74 0.262 3.664 -1.899 1.00 0.00 C ATOM 1152 C VAL A 74 0.451 4.154 -3.326 1.00 0.00 C ATOM 1153 O VAL A 74 -0.025 3.550 -4.283 1.00 0.00 O ATOM 1154 CB VAL A 74 1.151 2.434 -1.638 1.00 0.00 C ATOM 1155 CG1 VAL A 74 1.226 2.171 -0.147 1.00 0.00 C ATOM 1156 CG2 VAL A 74 0.633 1.207 -2.377 1.00 0.00 C ATOM 0 H VAL A 74 -1.348 2.416 -1.427 1.00 0.00 H new ATOM 0 HA VAL A 74 0.575 4.461 -1.225 1.00 0.00 H new ATOM 0 HB VAL A 74 2.152 2.642 -2.017 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.855 1.300 0.038 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.652 3.040 0.355 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.224 1.984 0.240 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.283 0.357 -2.171 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.379 0.980 -2.041 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.623 1.405 -3.449 1.00 0.00 H new ATOM 1166 N GLY A 75 1.170 5.254 -3.450 1.00 0.00 N ATOM 1167 CA GLY A 75 1.331 5.891 -4.732 1.00 0.00 C ATOM 1168 C GLY A 75 0.615 7.220 -4.784 1.00 0.00 C ATOM 1169 O GLY A 75 0.529 7.844 -5.838 1.00 0.00 O ATOM 0 H GLY A 75 1.648 5.719 -2.678 1.00 0.00 H new ATOM 0 HA2 GLY A 75 2.392 6.040 -4.935 1.00 0.00 H new ATOM 0 HA3 GLY A 75 0.945 5.238 -5.515 1.00 0.00 H new ATOM 1173 N ASP A 76 0.092 7.650 -3.639 1.00 0.00 N ATOM 1174 CA ASP A 76 -0.619 8.926 -3.562 1.00 0.00 C ATOM 1175 C ASP A 76 0.346 10.108 -3.678 1.00 0.00 C ATOM 1176 O ASP A 76 0.201 10.948 -4.565 1.00 0.00 O ATOM 1177 CB ASP A 76 -1.423 9.032 -2.264 1.00 0.00 C ATOM 1178 CG ASP A 76 -2.285 10.282 -2.226 1.00 0.00 C ATOM 1179 OD1 ASP A 76 -3.385 10.269 -2.822 1.00 0.00 O ATOM 1180 OD2 ASP A 76 -1.865 11.283 -1.608 1.00 0.00 O ATOM 0 H ASP A 76 0.145 7.140 -2.757 1.00 0.00 H new ATOM 0 HA ASP A 76 -1.311 8.962 -4.404 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -2.057 8.152 -2.158 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.740 9.037 -1.414 1.00 0.00 H new ATOM 1185 N VAL A 77 1.335 10.165 -2.793 1.00 0.00 N ATOM 1186 CA VAL A 77 2.307 11.255 -2.813 1.00 0.00 C ATOM 1187 C VAL A 77 3.586 10.815 -3.532 1.00 0.00 C ATOM 1188 O VAL A 77 3.871 9.616 -3.605 1.00 0.00 O ATOM 1189 CB VAL A 77 2.640 11.758 -1.383 1.00 0.00 C ATOM 1190 CG1 VAL A 77 1.367 12.107 -0.629 1.00 0.00 C ATOM 1191 CG2 VAL A 77 3.453 10.737 -0.605 1.00 0.00 C ATOM 0 H VAL A 77 1.486 9.475 -2.057 1.00 0.00 H new ATOM 0 HA VAL A 77 1.858 12.085 -3.358 1.00 0.00 H new ATOM 0 HB VAL A 77 3.247 12.658 -1.485 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.621 12.458 0.371 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.831 12.892 -1.163 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.735 11.222 -0.554 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.667 11.125 0.391 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.887 9.810 -0.520 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.390 10.543 -1.128 1.00 0.00 H new ATOM 1201 N PRO A 78 4.356 11.776 -4.092 1.00 0.00 N ATOM 1202 CA PRO A 78 5.570 11.495 -4.878 1.00 0.00 C ATOM 1203 C PRO A 78 6.509 10.487 -4.217 1.00 0.00 C ATOM 1204 O PRO A 78 6.822 10.596 -3.029 1.00 0.00 O ATOM 1205 CB PRO A 78 6.259 12.863 -5.007 1.00 0.00 C ATOM 1206 CG PRO A 78 5.489 13.793 -4.127 1.00 0.00 C ATOM 1207 CD PRO A 78 4.106 13.219 -4.024 1.00 0.00 C ATOM 0 HA PRO A 78 5.311 11.039 -5.834 1.00 0.00 H new ATOM 0 HB2 PRO A 78 7.302 12.806 -4.697 1.00 0.00 H new ATOM 0 HB3 PRO A 78 6.252 13.208 -6.041 1.00 0.00 H new ATOM 0 HG2 PRO A 78 5.952 13.872 -3.144 1.00 0.00 H new ATOM 0 HG3 PRO A 78 5.464 14.798 -4.549 1.00 0.00 H new ATOM 0 HD2 PRO A 78 3.617 13.503 -3.092 1.00 0.00 H new ATOM 0 HD3 PRO A 78 3.464 13.558 -4.837 1.00 0.00 H new ATOM 1215 N TRP A 79 6.937 9.508 -5.016 1.00 0.00 N ATOM 1216 CA TRP A 79 7.705 8.355 -4.552 1.00 0.00 C ATOM 1217 C TRP A 79 8.806 8.712 -3.557 1.00 0.00 C ATOM 1218 O TRP A 79 8.851 8.152 -2.460 1.00 0.00 O ATOM 1219 CB TRP A 79 8.327 7.639 -5.750 1.00 0.00 C ATOM 1220 CG TRP A 79 9.075 6.407 -5.362 1.00 0.00 C ATOM 1221 CD1 TRP A 79 10.418 6.187 -5.452 1.00 0.00 C ATOM 1222 CD2 TRP A 79 8.510 5.231 -4.792 1.00 0.00 C ATOM 1223 NE1 TRP A 79 10.721 4.933 -4.980 1.00 0.00 N ATOM 1224 CE2 TRP A 79 9.562 4.324 -4.567 1.00 0.00 C ATOM 1225 CE3 TRP A 79 7.212 4.857 -4.454 1.00 0.00 C ATOM 1226 CZ2 TRP A 79 9.347 3.064 -4.017 1.00 0.00 C ATOM 1227 CZ3 TRP A 79 7.001 3.615 -3.911 1.00 0.00 C ATOM 1228 CH2 TRP A 79 8.062 2.727 -3.697 1.00 0.00 C ATOM 0 H TRP A 79 6.756 9.495 -6.020 1.00 0.00 H new ATOM 0 HA TRP A 79 7.002 7.708 -4.027 1.00 0.00 H new ATOM 0 HB2 TRP A 79 7.541 7.374 -6.457 1.00 0.00 H new ATOM 0 HB3 TRP A 79 9.003 8.322 -6.265 1.00 0.00 H new ATOM 0 HD1 TRP A 79 11.137 6.894 -5.838 1.00 0.00 H new ATOM 0 HE1 TRP A 79 11.654 4.522 -4.943 1.00 0.00 H new ATOM 0 HE3 TRP A 79 6.386 5.533 -4.617 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 10.165 2.379 -3.849 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 5.998 3.317 -3.644 1.00 0.00 H new ATOM 0 HH2 TRP A 79 7.861 1.756 -3.270 1.00 0.00 H new ATOM 1239 N ASP A 80 9.675 9.641 -3.945 1.00 0.00 N ATOM 1240 CA ASP A 80 10.860 9.985 -3.156 1.00 0.00 C ATOM 1241 C ASP A 80 10.499 10.288 -1.708 1.00 0.00 C ATOM 1242 O ASP A 80 11.187 9.859 -0.781 1.00 0.00 O ATOM 1243 CB ASP A 80 11.577 11.186 -3.777 1.00 0.00 C ATOM 1244 CG ASP A 80 12.809 11.598 -2.994 1.00 0.00 C ATOM 1245 OD1 ASP A 80 13.907 11.080 -3.285 1.00 0.00 O ATOM 1246 OD2 ASP A 80 12.687 12.454 -2.092 1.00 0.00 O ATOM 0 H ASP A 80 9.581 10.175 -4.809 1.00 0.00 H new ATOM 0 HA ASP A 80 11.526 9.122 -3.163 1.00 0.00 H new ATOM 0 HB2 ASP A 80 11.865 10.943 -4.800 1.00 0.00 H new ATOM 0 HB3 ASP A 80 10.887 12.028 -3.831 1.00 0.00 H new ATOM 1251 N MET A 81 9.413 11.017 -1.515 1.00 0.00 N ATOM 1252 CA MET A 81 8.963 11.368 -0.186 1.00 0.00 C ATOM 1253 C MET A 81 8.138 10.238 0.423 1.00 0.00 C ATOM 1254 O MET A 81 8.169 10.021 1.632 1.00 0.00 O ATOM 1255 CB MET A 81 8.143 12.656 -0.240 1.00 0.00 C ATOM 1256 CG MET A 81 7.527 13.035 1.091 1.00 0.00 C ATOM 1257 SD MET A 81 6.539 14.541 1.005 1.00 0.00 S ATOM 1258 CE MET A 81 5.250 14.034 -0.130 1.00 0.00 C ATOM 0 H MET A 81 8.827 11.377 -2.268 1.00 0.00 H new ATOM 0 HA MET A 81 9.836 11.528 0.447 1.00 0.00 H new ATOM 0 HB2 MET A 81 8.782 13.470 -0.581 1.00 0.00 H new ATOM 0 HB3 MET A 81 7.350 12.542 -0.979 1.00 0.00 H new ATOM 0 HG2 MET A 81 6.900 12.215 1.442 1.00 0.00 H new ATOM 0 HG3 MET A 81 8.320 13.168 1.827 1.00 0.00 H new ATOM 0 HE1 MET A 81 5.385 14.543 -1.084 1.00 0.00 H new ATOM 0 HE2 MET A 81 5.303 12.956 -0.283 1.00 0.00 H new ATOM 0 HE3 MET A 81 4.276 14.294 0.286 1.00 0.00 H new ATOM 1268 N PHE A 82 7.425 9.505 -0.430 1.00 0.00 N ATOM 1269 CA PHE A 82 6.494 8.473 0.023 1.00 0.00 C ATOM 1270 C PHE A 82 7.193 7.416 0.866 1.00 0.00 C ATOM 1271 O PHE A 82 6.713 7.052 1.942 1.00 0.00 O ATOM 1272 CB PHE A 82 5.817 7.783 -1.170 1.00 0.00 C ATOM 1273 CG PHE A 82 4.545 7.077 -0.789 1.00 0.00 C ATOM 1274 CD1 PHE A 82 4.566 5.913 -0.034 1.00 0.00 C ATOM 1275 CD2 PHE A 82 3.323 7.607 -1.159 1.00 0.00 C ATOM 1276 CE1 PHE A 82 3.383 5.302 0.346 1.00 0.00 C ATOM 1277 CE2 PHE A 82 2.144 7.000 -0.793 1.00 0.00 C ATOM 1278 CZ PHE A 82 2.171 5.852 -0.037 1.00 0.00 C ATOM 0 H PHE A 82 7.475 9.607 -1.444 1.00 0.00 H new ATOM 0 HA PHE A 82 5.743 8.975 0.634 1.00 0.00 H new ATOM 0 HB2 PHE A 82 5.599 8.525 -1.938 1.00 0.00 H new ATOM 0 HB3 PHE A 82 6.509 7.064 -1.609 1.00 0.00 H new ATOM 0 HD1 PHE A 82 5.511 5.481 0.259 1.00 0.00 H new ATOM 0 HD2 PHE A 82 3.293 8.513 -1.746 1.00 0.00 H new ATOM 0 HE1 PHE A 82 3.405 4.400 0.939 1.00 0.00 H new ATOM 0 HE2 PHE A 82 1.199 7.424 -1.099 1.00 0.00 H new ATOM 0 HZ PHE A 82 1.246 5.379 0.258 1.00 0.00 H new ATOM 1288 N VAL A 83 8.333 6.945 0.383 1.00 0.00 N ATOM 1289 CA VAL A 83 8.999 5.794 0.982 1.00 0.00 C ATOM 1290 C VAL A 83 9.372 6.063 2.433 1.00 0.00 C ATOM 1291 O VAL A 83 9.099 5.256 3.318 1.00 0.00 O ATOM 1292 CB VAL A 83 10.279 5.408 0.216 1.00 0.00 C ATOM 1293 CG1 VAL A 83 10.677 3.989 0.556 1.00 0.00 C ATOM 1294 CG2 VAL A 83 10.099 5.570 -1.283 1.00 0.00 C ATOM 0 H VAL A 83 8.818 7.341 -0.422 1.00 0.00 H new ATOM 0 HA VAL A 83 8.287 4.971 0.930 1.00 0.00 H new ATOM 0 HB VAL A 83 11.077 6.084 0.524 1.00 0.00 H new ATOM 0 HG11 VAL A 83 11.583 3.724 0.010 1.00 0.00 H new ATOM 0 HG12 VAL A 83 10.863 3.910 1.627 1.00 0.00 H new ATOM 0 HG13 VAL A 83 9.873 3.309 0.276 1.00 0.00 H new ATOM 0 HG21 VAL A 83 11.021 5.289 -1.793 1.00 0.00 H new ATOM 0 HG22 VAL A 83 9.286 4.928 -1.623 1.00 0.00 H new ATOM 0 HG23 VAL A 83 9.861 6.609 -1.511 1.00 0.00 H new ATOM 1304 N THR A 84 9.985 7.209 2.669 1.00 0.00 N ATOM 1305 CA THR A 84 10.436 7.574 3.999 1.00 0.00 C ATOM 1306 C THR A 84 9.282 8.085 4.863 1.00 0.00 C ATOM 1307 O THR A 84 9.401 8.176 6.087 1.00 0.00 O ATOM 1308 CB THR A 84 11.538 8.642 3.907 1.00 0.00 C ATOM 1309 OG1 THR A 84 11.104 9.717 3.061 1.00 0.00 O ATOM 1310 CG2 THR A 84 12.821 8.044 3.348 1.00 0.00 C ATOM 0 H THR A 84 10.183 7.907 1.952 1.00 0.00 H new ATOM 0 HA THR A 84 10.838 6.678 4.473 1.00 0.00 H new ATOM 0 HB THR A 84 11.735 9.021 4.910 1.00 0.00 H new ATOM 0 HG1 THR A 84 11.809 10.396 3.007 1.00 0.00 H new ATOM 0 HG21 THR A 84 13.588 8.817 3.291 1.00 0.00 H new ATOM 0 HG22 THR A 84 13.163 7.241 4.001 1.00 0.00 H new ATOM 0 HG23 THR A 84 12.633 7.646 2.351 1.00 0.00 H new ATOM 1318 N SER A 85 8.164 8.396 4.221 1.00 0.00 N ATOM 1319 CA SER A 85 7.020 8.976 4.905 1.00 0.00 C ATOM 1320 C SER A 85 6.127 7.888 5.506 1.00 0.00 C ATOM 1321 O SER A 85 5.406 8.126 6.477 1.00 0.00 O ATOM 1322 CB SER A 85 6.222 9.843 3.924 1.00 0.00 C ATOM 1323 OG SER A 85 5.253 10.633 4.588 1.00 0.00 O ATOM 0 H SER A 85 8.026 8.254 3.220 1.00 0.00 H new ATOM 0 HA SER A 85 7.382 9.597 5.724 1.00 0.00 H new ATOM 0 HB2 SER A 85 6.904 10.491 3.374 1.00 0.00 H new ATOM 0 HB3 SER A 85 5.730 9.203 3.191 1.00 0.00 H new ATOM 0 HG SER A 85 4.765 11.173 3.931 1.00 0.00 H new ATOM 1329 N CYS A 86 6.179 6.695 4.932 1.00 0.00 N ATOM 1330 CA CYS A 86 5.354 5.594 5.405 1.00 0.00 C ATOM 1331 C CYS A 86 5.956 4.960 6.652 1.00 0.00 C ATOM 1332 O CYS A 86 7.151 4.659 6.692 1.00 0.00 O ATOM 1333 CB CYS A 86 5.191 4.538 4.315 1.00 0.00 C ATOM 1334 SG CYS A 86 4.238 3.093 4.830 1.00 0.00 S ATOM 0 H CYS A 86 6.781 6.465 4.141 1.00 0.00 H new ATOM 0 HA CYS A 86 4.373 5.997 5.658 1.00 0.00 H new ATOM 0 HB2 CYS A 86 4.704 4.993 3.452 1.00 0.00 H new ATOM 0 HB3 CYS A 86 6.179 4.212 3.989 1.00 0.00 H new ATOM 0 HG CYS A 86 3.425 3.428 5.788 1.00 0.00 H new ATOM 1340 N LYS A 87 5.129 4.775 7.673 1.00 0.00 N ATOM 1341 CA LYS A 87 5.584 4.151 8.906 1.00 0.00 C ATOM 1342 C LYS A 87 4.872 2.820 9.163 1.00 0.00 C ATOM 1343 O LYS A 87 5.396 1.952 9.860 1.00 0.00 O ATOM 1344 CB LYS A 87 5.390 5.125 10.074 1.00 0.00 C ATOM 1345 CG LYS A 87 3.948 5.541 10.303 1.00 0.00 C ATOM 1346 CD LYS A 87 3.861 6.700 11.279 1.00 0.00 C ATOM 1347 CE LYS A 87 4.183 6.284 12.708 1.00 0.00 C ATOM 1348 NZ LYS A 87 3.267 5.226 13.208 1.00 0.00 N ATOM 0 H LYS A 87 4.146 5.047 7.671 1.00 0.00 H new ATOM 0 HA LYS A 87 6.645 3.922 8.810 1.00 0.00 H new ATOM 0 HB2 LYS A 87 5.773 4.664 10.985 1.00 0.00 H new ATOM 0 HB3 LYS A 87 5.989 6.017 9.892 1.00 0.00 H new ATOM 0 HG2 LYS A 87 3.494 5.826 9.354 1.00 0.00 H new ATOM 0 HG3 LYS A 87 3.379 4.695 10.687 1.00 0.00 H new ATOM 0 HD2 LYS A 87 4.551 7.485 10.968 1.00 0.00 H new ATOM 0 HD3 LYS A 87 2.858 7.125 11.245 1.00 0.00 H new ATOM 0 HE2 LYS A 87 5.211 5.924 12.756 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.119 7.155 13.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 3.249 5.245 14.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 2.308 5.395 12.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 3.602 4.296 12.885 1.00 0.00 H new ATOM 1362 N ARG A 88 3.683 2.656 8.591 1.00 0.00 N ATOM 1363 CA ARG A 88 2.938 1.404 8.703 1.00 0.00 C ATOM 1364 C ARG A 88 2.263 1.084 7.386 1.00 0.00 C ATOM 1365 O ARG A 88 1.973 1.984 6.603 1.00 0.00 O ATOM 1366 CB ARG A 88 1.878 1.481 9.801 1.00 0.00 C ATOM 1367 CG ARG A 88 2.440 1.814 11.164 1.00 0.00 C ATOM 1368 CD ARG A 88 1.356 1.818 12.228 1.00 0.00 C ATOM 1369 NE ARG A 88 0.736 0.503 12.386 1.00 0.00 N ATOM 1370 CZ ARG A 88 -0.561 0.312 12.642 1.00 0.00 C ATOM 1371 NH1 ARG A 88 -1.396 1.343 12.702 1.00 0.00 N ATOM 1372 NH2 ARG A 88 -1.029 -0.916 12.814 1.00 0.00 N ATOM 0 H ARG A 88 3.213 3.376 8.043 1.00 0.00 H new ATOM 0 HA ARG A 88 3.649 0.619 8.960 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.139 2.234 9.528 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.355 0.526 9.857 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.209 1.088 11.429 1.00 0.00 H new ATOM 0 HG3 ARG A 88 2.922 2.791 11.131 1.00 0.00 H new ATOM 0 HD2 ARG A 88 1.784 2.133 13.180 1.00 0.00 H new ATOM 0 HD3 ARG A 88 0.592 2.549 11.964 1.00 0.00 H new ATOM 0 HE ARG A 88 1.331 -0.320 12.295 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -1.048 2.290 12.552 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -2.385 1.188 12.898 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -0.399 -1.715 12.751 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -2.019 -1.062 13.009 1.00 0.00 H new ATOM 1386 N LEU A 89 2.004 -0.191 7.152 1.00 0.00 N ATOM 1387 CA LEU A 89 1.433 -0.632 5.890 1.00 0.00 C ATOM 1388 C LEU A 89 0.193 -1.481 6.144 1.00 0.00 C ATOM 1389 O LEU A 89 0.192 -2.346 7.017 1.00 0.00 O ATOM 1390 CB LEU A 89 2.477 -1.439 5.109 1.00 0.00 C ATOM 1391 CG LEU A 89 2.351 -1.385 3.589 1.00 0.00 C ATOM 1392 CD1 LEU A 89 2.634 0.018 3.072 1.00 0.00 C ATOM 1393 CD2 LEU A 89 3.291 -2.388 2.943 1.00 0.00 C ATOM 0 H LEU A 89 2.180 -0.941 7.821 1.00 0.00 H new ATOM 0 HA LEU A 89 1.142 0.239 5.303 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.468 -1.081 5.386 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.415 -2.481 5.424 1.00 0.00 H new ATOM 0 HG LEU A 89 1.327 -1.646 3.323 1.00 0.00 H new ATOM 0 HD11 LEU A 89 2.538 0.032 1.986 1.00 0.00 H new ATOM 0 HD12 LEU A 89 1.921 0.717 3.508 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.646 0.311 3.351 1.00 0.00 H new ATOM 0 HD21 LEU A 89 3.189 -2.337 1.859 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.319 -2.155 3.222 1.00 0.00 H new ATOM 0 HD23 LEU A 89 3.041 -3.393 3.284 1.00 0.00 H new ATOM 1405 N ARG A 90 -0.882 -1.214 5.426 1.00 0.00 N ATOM 1406 CA ARG A 90 -2.054 -2.061 5.522 1.00 0.00 C ATOM 1407 C ARG A 90 -2.678 -2.287 4.157 1.00 0.00 C ATOM 1408 O ARG A 90 -3.115 -1.349 3.500 1.00 0.00 O ATOM 1409 CB ARG A 90 -3.102 -1.472 6.465 1.00 0.00 C ATOM 1410 CG ARG A 90 -3.990 -2.539 7.083 1.00 0.00 C ATOM 1411 CD ARG A 90 -5.351 -1.998 7.482 1.00 0.00 C ATOM 1412 NE ARG A 90 -5.268 -0.789 8.301 1.00 0.00 N ATOM 1413 CZ ARG A 90 -6.175 -0.454 9.221 1.00 0.00 C ATOM 1414 NH1 ARG A 90 -7.180 -1.278 9.502 1.00 0.00 N ATOM 1415 NH2 ARG A 90 -6.070 0.697 9.871 1.00 0.00 N ATOM 0 H ARG A 90 -0.968 -0.430 4.780 1.00 0.00 H new ATOM 0 HA ARG A 90 -1.719 -3.016 5.927 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.602 -0.916 7.258 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -3.720 -0.761 5.918 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.120 -3.356 6.373 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -3.496 -2.956 7.961 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -5.928 -1.782 6.583 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.894 -2.766 8.032 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.472 -0.167 8.161 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -7.260 -2.170 9.014 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -7.871 -1.018 10.206 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -5.295 1.328 9.668 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -6.764 0.951 10.574 1.00 0.00 H new ATOM 1429 N ILE A 91 -2.709 -3.528 3.727 1.00 0.00 N ATOM 1430 CA ILE A 91 -3.462 -3.892 2.544 1.00 0.00 C ATOM 1431 C ILE A 91 -4.550 -4.832 2.982 1.00 0.00 C ATOM 1432 O ILE A 91 -4.293 -5.745 3.756 1.00 0.00 O ATOM 1433 CB ILE A 91 -2.621 -4.587 1.467 1.00 0.00 C ATOM 1434 CG1 ILE A 91 -1.206 -4.002 1.414 1.00 0.00 C ATOM 1435 CG2 ILE A 91 -3.320 -4.457 0.116 1.00 0.00 C ATOM 1436 CD1 ILE A 91 -0.270 -4.744 0.485 1.00 0.00 C ATOM 0 H ILE A 91 -2.222 -4.303 4.177 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.844 -2.975 2.095 1.00 0.00 H new ATOM 0 HB ILE A 91 -2.526 -5.644 1.716 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.266 -2.961 1.098 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.784 -4.006 2.419 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -2.724 -4.951 -0.651 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -4.303 -4.925 0.168 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -3.433 -3.402 -0.135 1.00 0.00 H new ATOM 0 HD11 ILE A 91 0.711 -4.270 0.502 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -0.178 -5.780 0.812 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -0.668 -4.718 -0.529 1.00 0.00 H new ATOM 1448 N MET A 92 -5.753 -4.600 2.521 1.00 0.00 N ATOM 1449 CA MET A 92 -6.897 -5.325 3.041 1.00 0.00 C ATOM 1450 C MET A 92 -8.057 -5.325 2.075 1.00 0.00 C ATOM 1451 O MET A 92 -8.119 -4.511 1.151 1.00 0.00 O ATOM 1452 CB MET A 92 -7.331 -4.735 4.369 1.00 0.00 C ATOM 1453 CG MET A 92 -7.488 -3.226 4.318 1.00 0.00 C ATOM 1454 SD MET A 92 -8.202 -2.531 5.816 1.00 0.00 S ATOM 1455 CE MET A 92 -8.040 -0.781 5.470 1.00 0.00 C ATOM 0 H MET A 92 -5.971 -3.921 1.792 1.00 0.00 H new ATOM 0 HA MET A 92 -6.587 -6.360 3.184 1.00 0.00 H new ATOM 0 HB2 MET A 92 -8.278 -5.184 4.669 1.00 0.00 H new ATOM 0 HB3 MET A 92 -6.598 -4.994 5.133 1.00 0.00 H new ATOM 0 HG2 MET A 92 -6.512 -2.772 4.145 1.00 0.00 H new ATOM 0 HG3 MET A 92 -8.117 -2.962 3.468 1.00 0.00 H new ATOM 0 HE1 MET A 92 -8.322 -0.208 6.353 1.00 0.00 H new ATOM 0 HE2 MET A 92 -7.006 -0.556 5.207 1.00 0.00 H new ATOM 0 HE3 MET A 92 -8.693 -0.512 4.639 1.00 0.00 H new ATOM 1465 N LYS A 93 -8.956 -6.270 2.304 1.00 0.00 N ATOM 1466 CA LYS A 93 -10.120 -6.475 1.475 1.00 0.00 C ATOM 1467 C LYS A 93 -10.934 -5.197 1.320 1.00 0.00 C ATOM 1468 O LYS A 93 -11.069 -4.401 2.253 1.00 0.00 O ATOM 1469 CB LYS A 93 -10.964 -7.587 2.093 1.00 0.00 C ATOM 1470 CG LYS A 93 -10.212 -8.900 2.223 1.00 0.00 C ATOM 1471 CD LYS A 93 -11.147 -10.083 2.406 1.00 0.00 C ATOM 1472 CE LYS A 93 -11.712 -10.551 1.074 1.00 0.00 C ATOM 1473 NZ LYS A 93 -10.669 -11.195 0.226 1.00 0.00 N ATOM 0 H LYS A 93 -8.891 -6.923 3.085 1.00 0.00 H new ATOM 0 HA LYS A 93 -9.799 -6.763 0.474 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -11.306 -7.271 3.079 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -11.853 -7.743 1.482 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -9.601 -9.056 1.334 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -9.530 -8.844 3.072 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -10.611 -10.903 2.884 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -11.963 -9.804 3.072 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -12.523 -11.257 1.251 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -12.140 -9.701 0.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -10.778 -10.878 -0.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -9.726 -10.928 0.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -10.775 -12.229 0.271 1.00 0.00 H new ATOM 1487 N GLY A 94 -11.451 -5.018 0.109 1.00 0.00 N ATOM 1488 CA GLY A 94 -12.220 -3.841 -0.243 1.00 0.00 C ATOM 1489 C GLY A 94 -13.419 -3.633 0.642 1.00 0.00 C ATOM 1490 O GLY A 94 -13.870 -2.509 0.828 1.00 0.00 O ATOM 0 H GLY A 94 -11.346 -5.688 -0.653 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -11.576 -2.963 -0.185 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -12.550 -3.926 -1.278 1.00 0.00 H new ATOM 1494 N THR A 95 -13.927 -4.723 1.182 1.00 0.00 N ATOM 1495 CA THR A 95 -15.049 -4.679 2.116 1.00 0.00 C ATOM 1496 C THR A 95 -14.693 -3.856 3.352 1.00 0.00 C ATOM 1497 O THR A 95 -15.559 -3.295 4.021 1.00 0.00 O ATOM 1498 CB THR A 95 -15.454 -6.097 2.563 1.00 0.00 C ATOM 1499 OG1 THR A 95 -14.324 -6.768 3.138 1.00 0.00 O ATOM 1500 CG2 THR A 95 -15.993 -6.907 1.391 1.00 0.00 C ATOM 0 H THR A 95 -13.580 -5.663 0.991 1.00 0.00 H new ATOM 0 HA THR A 95 -15.885 -4.213 1.595 1.00 0.00 H new ATOM 0 HB THR A 95 -16.243 -6.007 3.309 1.00 0.00 H new ATOM 0 HG1 THR A 95 -14.275 -6.564 4.095 1.00 0.00 H new ATOM 0 HG21 THR A 95 -16.271 -7.903 1.735 1.00 0.00 H new ATOM 0 HG22 THR A 95 -16.869 -6.408 0.976 1.00 0.00 H new ATOM 0 HG23 THR A 95 -15.225 -6.990 0.622 1.00 0.00 H new ATOM 1508 N GLU A 96 -13.404 -3.797 3.641 1.00 0.00 N ATOM 1509 CA GLU A 96 -12.892 -3.076 4.797 1.00 0.00 C ATOM 1510 C GLU A 96 -12.331 -1.728 4.358 1.00 0.00 C ATOM 1511 O GLU A 96 -12.665 -0.683 4.914 1.00 0.00 O ATOM 1512 CB GLU A 96 -11.785 -3.889 5.476 1.00 0.00 C ATOM 1513 CG GLU A 96 -12.110 -5.367 5.638 1.00 0.00 C ATOM 1514 CD GLU A 96 -13.351 -5.611 6.467 1.00 0.00 C ATOM 1515 OE1 GLU A 96 -13.293 -5.439 7.704 1.00 0.00 O ATOM 1516 OE2 GLU A 96 -14.394 -5.977 5.883 1.00 0.00 O ATOM 0 H GLU A 96 -12.681 -4.248 3.081 1.00 0.00 H new ATOM 0 HA GLU A 96 -13.708 -2.919 5.503 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -10.868 -3.791 4.894 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -11.586 -3.462 6.459 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -12.244 -5.814 4.653 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -11.263 -5.871 6.104 1.00 0.00 H new ATOM 1523 N ALA A 97 -11.491 -1.771 3.328 1.00 0.00 N ATOM 1524 CA ALA A 97 -10.789 -0.589 2.828 1.00 0.00 C ATOM 1525 C ALA A 97 -11.738 0.465 2.272 1.00 0.00 C ATOM 1526 O ALA A 97 -11.374 1.633 2.159 1.00 0.00 O ATOM 1527 CB ALA A 97 -9.777 -0.992 1.769 1.00 0.00 C ATOM 0 H ALA A 97 -11.276 -2.626 2.815 1.00 0.00 H new ATOM 0 HA ALA A 97 -10.274 -0.139 3.677 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -9.260 -0.105 1.403 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -9.052 -1.682 2.202 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -10.292 -1.479 0.941 1.00 0.00 H new ATOM 1533 N LYS A 98 -12.937 0.044 1.912 1.00 0.00 N ATOM 1534 CA LYS A 98 -13.923 0.920 1.283 1.00 0.00 C ATOM 1535 C LYS A 98 -14.187 2.191 2.093 1.00 0.00 C ATOM 1536 O LYS A 98 -14.460 3.245 1.521 1.00 0.00 O ATOM 1537 CB LYS A 98 -15.224 0.155 1.064 1.00 0.00 C ATOM 1538 CG LYS A 98 -15.876 -0.334 2.346 1.00 0.00 C ATOM 1539 CD LYS A 98 -17.055 -1.246 2.056 1.00 0.00 C ATOM 1540 CE LYS A 98 -18.115 -0.549 1.210 1.00 0.00 C ATOM 1541 NZ LYS A 98 -18.604 0.710 1.840 1.00 0.00 N ATOM 0 H LYS A 98 -13.260 -0.914 2.045 1.00 0.00 H new ATOM 0 HA LYS A 98 -13.511 1.237 0.325 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -15.927 0.798 0.533 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -15.026 -0.701 0.420 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -15.141 -0.868 2.949 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -16.211 0.520 2.934 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -16.705 -2.139 1.537 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -17.499 -1.576 2.995 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -17.702 -0.324 0.227 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -18.956 -1.225 1.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -19.425 1.067 1.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -18.882 0.520 2.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -17.846 1.422 1.826 1.00 0.00 H new ATOM 1555 N GLY A 99 -14.097 2.095 3.412 1.00 0.00 N ATOM 1556 CA GLY A 99 -14.348 3.248 4.250 1.00 0.00 C ATOM 1557 C GLY A 99 -13.293 4.329 4.092 1.00 0.00 C ATOM 1558 O GLY A 99 -13.607 5.517 4.110 1.00 0.00 O ATOM 0 H GLY A 99 -13.855 1.241 3.915 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -15.326 3.663 4.007 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -14.386 2.933 5.293 1.00 0.00 H new ATOM 1562 N LEU A 100 -12.042 3.912 3.948 1.00 0.00 N ATOM 1563 CA LEU A 100 -10.919 4.842 3.876 1.00 0.00 C ATOM 1564 C LEU A 100 -10.350 4.957 2.468 1.00 0.00 C ATOM 1565 O LEU A 100 -9.333 5.616 2.257 1.00 0.00 O ATOM 1566 CB LEU A 100 -9.818 4.421 4.851 1.00 0.00 C ATOM 1567 CG LEU A 100 -9.400 2.949 4.781 1.00 0.00 C ATOM 1568 CD1 LEU A 100 -7.928 2.805 5.122 1.00 0.00 C ATOM 1569 CD2 LEU A 100 -10.238 2.109 5.740 1.00 0.00 C ATOM 0 H LEU A 100 -11.777 2.930 3.878 1.00 0.00 H new ATOM 0 HA LEU A 100 -11.300 5.824 4.155 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -8.939 5.039 4.667 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -10.153 4.637 5.865 1.00 0.00 H new ATOM 0 HG LEU A 100 -9.567 2.592 3.765 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -7.643 1.754 5.069 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -7.332 3.379 4.412 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -7.750 3.178 6.130 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -9.927 1.066 5.677 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -10.095 2.469 6.759 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -11.291 2.191 5.470 1.00 0.00 H new