USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 508 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 25 TYR OH : rot -59:sc= 0.599 USER MOD Set 1.2: A 69 LYS NZ :NH3+ -137:sc= 0.167 (180deg=0) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -157:sc= 0.0274 (180deg=-0.694) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 159:sc= -1.54! USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.056) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -141:sc= -0.912 (180deg=-3.04!) USER MOD Single : A 44 SER OG : rot 180:sc=-0.00254 USER MOD Single : A 46 LYS NZ :NH3+ -170:sc= 0.524 (180deg=0.484) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 123 N MET A 9 18.605 -10.581 2.646 1.00 0.00 N ATOM 124 CA MET A 9 19.058 -11.809 1.982 1.00 0.00 C ATOM 125 C MET A 9 20.343 -12.327 2.649 1.00 0.00 C ATOM 126 O MET A 9 21.203 -11.542 3.051 1.00 0.00 O ATOM 127 CB MET A 9 19.301 -11.543 0.473 1.00 0.00 C ATOM 128 CG MET A 9 18.070 -11.087 -0.326 1.00 0.00 C ATOM 129 SD MET A 9 18.431 -10.876 -2.086 1.00 0.00 S ATOM 130 CE MET A 9 16.820 -10.460 -2.750 1.00 0.00 C ATOM 0 HA MET A 9 18.283 -12.570 2.080 1.00 0.00 H new ATOM 0 HB2 MET A 9 20.077 -10.783 0.376 1.00 0.00 H new ATOM 0 HB3 MET A 9 19.689 -12.455 0.019 1.00 0.00 H new ATOM 0 HG2 MET A 9 17.271 -11.819 -0.207 1.00 0.00 H new ATOM 0 HG3 MET A 9 17.703 -10.145 0.083 1.00 0.00 H new ATOM 0 HE1 MET A 9 16.899 -10.304 -3.826 1.00 0.00 H new ATOM 0 HE2 MET A 9 16.123 -11.275 -2.552 1.00 0.00 H new ATOM 0 HE3 MET A 9 16.456 -9.548 -2.277 1.00 0.00 H new ATOM 140 N TYR A 10 20.450 -13.649 2.774 1.00 0.00 N ATOM 141 CA TYR A 10 21.603 -14.312 3.400 1.00 0.00 C ATOM 142 C TYR A 10 22.719 -14.482 2.364 1.00 0.00 C ATOM 143 O TYR A 10 22.469 -14.942 1.250 1.00 0.00 O ATOM 144 CB TYR A 10 21.175 -15.679 3.994 1.00 0.00 C ATOM 145 CG TYR A 10 19.992 -15.556 4.963 1.00 0.00 C ATOM 146 CD1 TYR A 10 20.187 -15.214 6.302 1.00 0.00 C ATOM 147 CD2 TYR A 10 18.675 -15.732 4.523 1.00 0.00 C ATOM 148 CE1 TYR A 10 19.119 -15.065 7.163 1.00 0.00 C ATOM 149 CE2 TYR A 10 17.607 -15.576 5.381 1.00 0.00 C ATOM 150 CZ TYR A 10 17.833 -15.244 6.698 1.00 0.00 C ATOM 151 OH TYR A 10 16.765 -15.086 7.554 1.00 0.00 O ATOM 0 H TYR A 10 19.737 -14.298 2.443 1.00 0.00 H new ATOM 0 HA TYR A 10 21.980 -13.697 4.217 1.00 0.00 H new ATOM 0 HB2 TYR A 10 20.907 -16.356 3.183 1.00 0.00 H new ATOM 0 HB3 TYR A 10 22.022 -16.126 4.515 1.00 0.00 H new ATOM 0 HD1 TYR A 10 21.191 -15.063 6.671 1.00 0.00 H new ATOM 0 HD2 TYR A 10 18.492 -15.995 3.492 1.00 0.00 H new ATOM 0 HE1 TYR A 10 19.290 -14.809 8.198 1.00 0.00 H new ATOM 0 HE2 TYR A 10 16.598 -15.714 5.022 1.00 0.00 H new ATOM 0 HH TYR A 10 15.929 -15.247 7.068 1.00 0.00 H new ATOM 161 N VAL A 11 23.934 -14.075 2.732 1.00 0.00 N ATOM 162 CA VAL A 11 25.099 -14.122 1.840 1.00 0.00 C ATOM 163 C VAL A 11 25.770 -15.501 1.927 1.00 0.00 C ATOM 164 O VAL A 11 26.236 -15.902 2.988 1.00 0.00 O ATOM 165 CB VAL A 11 26.110 -12.975 2.187 1.00 0.00 C ATOM 166 CG1 VAL A 11 27.389 -13.035 1.317 1.00 0.00 C ATOM 167 CG2 VAL A 11 25.413 -11.599 2.059 1.00 0.00 C ATOM 0 H VAL A 11 24.141 -13.702 3.658 1.00 0.00 H new ATOM 0 HA VAL A 11 24.765 -13.967 0.814 1.00 0.00 H new ATOM 0 HB VAL A 11 26.431 -13.116 3.219 1.00 0.00 H new ATOM 0 HG11 VAL A 11 28.057 -12.220 1.596 1.00 0.00 H new ATOM 0 HG12 VAL A 11 27.893 -13.988 1.476 1.00 0.00 H new ATOM 0 HG13 VAL A 11 27.119 -12.939 0.265 1.00 0.00 H new ATOM 0 HG21 VAL A 11 26.122 -10.808 2.302 1.00 0.00 H new ATOM 0 HG22 VAL A 11 25.056 -11.466 1.038 1.00 0.00 H new ATOM 0 HG23 VAL A 11 24.569 -11.553 2.747 1.00 0.00 H new ATOM 177 N PHE A 12 25.743 -16.234 0.810 1.00 0.00 N ATOM 178 CA PHE A 12 26.387 -17.542 0.670 1.00 0.00 C ATOM 179 C PHE A 12 27.707 -17.389 -0.098 1.00 0.00 C ATOM 180 O PHE A 12 27.708 -16.962 -1.252 1.00 0.00 O ATOM 181 CB PHE A 12 25.452 -18.539 -0.074 1.00 0.00 C ATOM 182 CG PHE A 12 24.154 -18.835 0.674 1.00 0.00 C ATOM 183 CD1 PHE A 12 23.056 -17.986 0.560 1.00 0.00 C ATOM 184 CD2 PHE A 12 24.035 -19.952 1.501 1.00 0.00 C ATOM 185 CE1 PHE A 12 21.884 -18.243 1.247 1.00 0.00 C ATOM 186 CE2 PHE A 12 22.859 -20.208 2.184 1.00 0.00 C ATOM 187 CZ PHE A 12 21.785 -19.353 2.057 1.00 0.00 C ATOM 0 H PHE A 12 25.264 -15.929 -0.037 1.00 0.00 H new ATOM 0 HA PHE A 12 26.590 -17.939 1.665 1.00 0.00 H new ATOM 0 HB2 PHE A 12 25.211 -18.133 -1.057 1.00 0.00 H new ATOM 0 HB3 PHE A 12 25.988 -19.474 -0.238 1.00 0.00 H new ATOM 0 HD1 PHE A 12 23.121 -17.114 -0.074 1.00 0.00 H new ATOM 0 HD2 PHE A 12 24.872 -20.626 1.610 1.00 0.00 H new ATOM 0 HE1 PHE A 12 21.044 -17.572 1.148 1.00 0.00 H new ATOM 0 HE2 PHE A 12 22.782 -21.079 2.818 1.00 0.00 H new ATOM 0 HZ PHE A 12 20.868 -19.553 2.591 1.00 0.00 H new ATOM 197 N LYS A 13 28.832 -17.719 0.557 1.00 0.00 N ATOM 198 CA LYS A 13 30.142 -17.749 -0.095 1.00 0.00 C ATOM 199 C LYS A 13 30.247 -19.041 -0.916 1.00 0.00 C ATOM 200 O LYS A 13 30.563 -20.111 -0.379 1.00 0.00 O ATOM 201 CB LYS A 13 31.275 -17.640 0.958 1.00 0.00 C ATOM 202 CG LYS A 13 32.689 -17.505 0.356 1.00 0.00 C ATOM 203 CD LYS A 13 33.793 -17.499 1.432 1.00 0.00 C ATOM 204 CE LYS A 13 35.201 -17.395 0.830 1.00 0.00 C ATOM 205 NZ LYS A 13 36.240 -17.551 1.869 1.00 0.00 N ATOM 0 H LYS A 13 28.855 -17.970 1.545 1.00 0.00 H new ATOM 0 HA LYS A 13 30.251 -16.896 -0.765 1.00 0.00 H new ATOM 0 HB2 LYS A 13 31.081 -16.778 1.596 1.00 0.00 H new ATOM 0 HB3 LYS A 13 31.247 -18.523 1.597 1.00 0.00 H new ATOM 0 HG2 LYS A 13 32.866 -18.329 -0.336 1.00 0.00 H new ATOM 0 HG3 LYS A 13 32.747 -16.584 -0.224 1.00 0.00 H new ATOM 0 HD2 LYS A 13 33.629 -16.662 2.111 1.00 0.00 H new ATOM 0 HD3 LYS A 13 33.722 -18.410 2.026 1.00 0.00 H new ATOM 0 HE2 LYS A 13 35.330 -18.161 0.065 1.00 0.00 H new ATOM 0 HE3 LYS A 13 35.318 -16.430 0.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 37.123 -17.107 1.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 35.923 -17.094 2.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 36.406 -18.562 2.045 1.00 0.00 H new ATOM 219 N GLY A 14 29.908 -18.932 -2.212 1.00 0.00 N ATOM 220 CA GLY A 14 29.835 -20.090 -3.088 1.00 0.00 C ATOM 221 C GLY A 14 28.645 -20.964 -2.714 1.00 0.00 C ATOM 222 O GLY A 14 27.515 -20.704 -3.139 1.00 0.00 O ATOM 0 H GLY A 14 29.682 -18.047 -2.667 1.00 0.00 H new ATOM 0 HA2 GLY A 14 29.744 -19.765 -4.124 1.00 0.00 H new ATOM 0 HA3 GLY A 14 30.756 -20.668 -3.015 1.00 0.00 H new ATOM 226 N GLU A 15 28.910 -21.983 -1.884 1.00 0.00 N ATOM 227 CA GLU A 15 27.887 -22.905 -1.371 1.00 0.00 C ATOM 228 C GLU A 15 27.518 -22.559 0.078 1.00 0.00 C ATOM 229 O GLU A 15 26.338 -22.538 0.443 1.00 0.00 O ATOM 230 CB GLU A 15 28.413 -24.359 -1.456 1.00 0.00 C ATOM 231 CG GLU A 15 28.737 -24.818 -2.890 1.00 0.00 C ATOM 232 CD GLU A 15 29.311 -26.238 -2.948 1.00 0.00 C ATOM 233 OE1 GLU A 15 28.533 -27.211 -2.889 1.00 0.00 O ATOM 234 OE2 GLU A 15 30.543 -26.393 -3.063 1.00 0.00 O ATOM 0 H GLU A 15 29.850 -22.192 -1.547 1.00 0.00 H new ATOM 0 HA GLU A 15 26.989 -22.808 -1.981 1.00 0.00 H new ATOM 0 HB2 GLU A 15 29.311 -24.447 -0.844 1.00 0.00 H new ATOM 0 HB3 GLU A 15 27.669 -25.031 -1.029 1.00 0.00 H new ATOM 0 HG2 GLU A 15 27.830 -24.773 -3.494 1.00 0.00 H new ATOM 0 HG3 GLU A 15 29.451 -24.125 -3.335 1.00 0.00 H new ATOM 241 N GLU A 16 28.542 -22.261 0.893 1.00 0.00 N ATOM 242 CA GLU A 16 28.398 -22.158 2.362 1.00 0.00 C ATOM 243 C GLU A 16 27.742 -20.827 2.757 1.00 0.00 C ATOM 244 O GLU A 16 27.969 -19.813 2.101 1.00 0.00 O ATOM 245 CB GLU A 16 29.784 -22.301 3.051 1.00 0.00 C ATOM 246 CG GLU A 16 30.780 -21.166 2.737 1.00 0.00 C ATOM 247 CD GLU A 16 32.196 -21.445 3.243 1.00 0.00 C ATOM 248 OE1 GLU A 16 32.937 -22.187 2.562 1.00 0.00 O ATOM 249 OE2 GLU A 16 32.582 -20.934 4.317 1.00 0.00 O ATOM 0 H GLU A 16 29.490 -22.085 0.559 1.00 0.00 H new ATOM 0 HA GLU A 16 27.752 -22.969 2.698 1.00 0.00 H new ATOM 0 HB2 GLU A 16 29.635 -22.347 4.130 1.00 0.00 H new ATOM 0 HB3 GLU A 16 30.228 -23.250 2.750 1.00 0.00 H new ATOM 0 HG2 GLU A 16 30.812 -21.008 1.659 1.00 0.00 H new ATOM 0 HG3 GLU A 16 30.418 -20.240 3.184 1.00 0.00 H new ATOM 256 N SER A 17 26.927 -20.843 3.825 1.00 0.00 N ATOM 257 CA SER A 17 26.347 -19.619 4.396 1.00 0.00 C ATOM 258 C SER A 17 27.464 -18.800 5.068 1.00 0.00 C ATOM 259 O SER A 17 27.968 -19.173 6.133 1.00 0.00 O ATOM 260 CB SER A 17 25.222 -19.960 5.403 1.00 0.00 C ATOM 261 OG SER A 17 24.607 -18.788 5.923 1.00 0.00 O ATOM 0 H SER A 17 26.655 -21.697 4.312 1.00 0.00 H new ATOM 0 HA SER A 17 25.899 -19.025 3.600 1.00 0.00 H new ATOM 0 HB2 SER A 17 24.470 -20.578 4.913 1.00 0.00 H new ATOM 0 HB3 SER A 17 25.634 -20.549 6.223 1.00 0.00 H new ATOM 0 HG SER A 17 23.901 -19.041 6.554 1.00 0.00 H new ATOM 267 N PHE A 18 27.874 -17.717 4.403 1.00 0.00 N ATOM 268 CA PHE A 18 28.927 -16.830 4.897 1.00 0.00 C ATOM 269 C PHE A 18 28.377 -15.958 6.044 1.00 0.00 C ATOM 270 O PHE A 18 28.969 -15.895 7.124 1.00 0.00 O ATOM 271 CB PHE A 18 29.459 -15.962 3.728 1.00 0.00 C ATOM 272 CG PHE A 18 30.562 -14.981 4.113 1.00 0.00 C ATOM 273 CD1 PHE A 18 31.763 -15.436 4.661 1.00 0.00 C ATOM 274 CD2 PHE A 18 30.393 -13.605 3.949 1.00 0.00 C ATOM 275 CE1 PHE A 18 32.756 -14.551 5.028 1.00 0.00 C ATOM 276 CE2 PHE A 18 31.388 -12.723 4.318 1.00 0.00 C ATOM 277 CZ PHE A 18 32.566 -13.198 4.860 1.00 0.00 C ATOM 0 H PHE A 18 27.484 -17.431 3.505 1.00 0.00 H new ATOM 0 HA PHE A 18 29.757 -17.417 5.291 1.00 0.00 H new ATOM 0 HB2 PHE A 18 29.835 -16.621 2.946 1.00 0.00 H new ATOM 0 HB3 PHE A 18 28.627 -15.403 3.301 1.00 0.00 H new ATOM 0 HD1 PHE A 18 31.917 -16.496 4.800 1.00 0.00 H new ATOM 0 HD2 PHE A 18 29.473 -13.226 3.529 1.00 0.00 H new ATOM 0 HE1 PHE A 18 33.681 -14.919 5.446 1.00 0.00 H new ATOM 0 HE2 PHE A 18 31.245 -11.661 4.183 1.00 0.00 H new ATOM 0 HZ PHE A 18 33.341 -12.505 5.153 1.00 0.00 H new ATOM 287 N GLY A 19 27.220 -15.325 5.793 1.00 0.00 N ATOM 288 CA GLY A 19 26.570 -14.450 6.763 1.00 0.00 C ATOM 289 C GLY A 19 25.238 -13.929 6.250 1.00 0.00 C ATOM 290 O GLY A 19 24.503 -14.655 5.571 1.00 0.00 O ATOM 0 H GLY A 19 26.715 -15.410 4.911 1.00 0.00 H new ATOM 0 HA2 GLY A 19 26.413 -14.993 7.695 1.00 0.00 H new ATOM 0 HA3 GLY A 19 27.226 -13.610 6.991 1.00 0.00 H new ATOM 294 N GLU A 20 24.940 -12.655 6.546 1.00 0.00 N ATOM 295 CA GLU A 20 23.670 -12.015 6.176 1.00 0.00 C ATOM 296 C GLU A 20 23.918 -10.566 5.717 1.00 0.00 C ATOM 297 O GLU A 20 24.623 -9.807 6.391 1.00 0.00 O ATOM 298 CB GLU A 20 22.699 -12.044 7.389 1.00 0.00 C ATOM 299 CG GLU A 20 21.317 -11.410 7.142 1.00 0.00 C ATOM 300 CD GLU A 20 20.447 -11.376 8.407 1.00 0.00 C ATOM 301 OE1 GLU A 20 20.809 -10.654 9.359 1.00 0.00 O ATOM 302 OE2 GLU A 20 19.411 -12.070 8.473 1.00 0.00 O ATOM 0 H GLU A 20 25.576 -12.038 7.051 1.00 0.00 H new ATOM 0 HA GLU A 20 23.219 -12.563 5.349 1.00 0.00 H new ATOM 0 HB2 GLU A 20 22.556 -13.081 7.694 1.00 0.00 H new ATOM 0 HB3 GLU A 20 23.173 -11.529 8.225 1.00 0.00 H new ATOM 0 HG2 GLU A 20 21.449 -10.394 6.769 1.00 0.00 H new ATOM 0 HG3 GLU A 20 20.798 -11.970 6.364 1.00 0.00 H new ATOM 309 N SER A 21 23.342 -10.216 4.554 1.00 0.00 N ATOM 310 CA SER A 21 23.351 -8.849 4.005 1.00 0.00 C ATOM 311 C SER A 21 22.487 -7.930 4.894 1.00 0.00 C ATOM 312 O SER A 21 21.258 -8.074 4.924 1.00 0.00 O ATOM 313 CB SER A 21 22.811 -8.868 2.542 1.00 0.00 C ATOM 314 OG SER A 21 22.592 -7.559 2.028 1.00 0.00 O ATOM 0 H SER A 21 22.850 -10.884 3.961 1.00 0.00 H new ATOM 0 HA SER A 21 24.371 -8.464 3.993 1.00 0.00 H new ATOM 0 HB2 SER A 21 23.521 -9.393 1.902 1.00 0.00 H new ATOM 0 HB3 SER A 21 21.877 -9.429 2.509 1.00 0.00 H new ATOM 0 HG SER A 21 22.585 -7.589 1.048 1.00 0.00 H new ATOM 320 N ILE A 22 23.135 -7.003 5.627 1.00 0.00 N ATOM 321 CA ILE A 22 22.440 -6.055 6.525 1.00 0.00 C ATOM 322 C ILE A 22 22.519 -4.626 5.942 1.00 0.00 C ATOM 323 O ILE A 22 21.508 -3.915 5.893 1.00 0.00 O ATOM 324 CB ILE A 22 23.016 -6.161 8.007 1.00 0.00 C ATOM 325 CG1 ILE A 22 22.167 -5.351 9.066 1.00 0.00 C ATOM 326 CG2 ILE A 22 24.522 -5.808 8.085 1.00 0.00 C ATOM 327 CD1 ILE A 22 22.420 -3.846 9.160 1.00 0.00 C ATOM 0 H ILE A 22 24.149 -6.889 5.615 1.00 0.00 H new ATOM 0 HA ILE A 22 21.384 -6.315 6.590 1.00 0.00 H new ATOM 0 HB ILE A 22 22.920 -7.212 8.280 1.00 0.00 H new ATOM 0 HG12 ILE A 22 21.111 -5.503 8.840 1.00 0.00 H new ATOM 0 HG13 ILE A 22 22.348 -5.786 10.049 1.00 0.00 H new ATOM 0 HG21 ILE A 22 24.863 -5.896 9.116 1.00 0.00 H new ATOM 0 HG22 ILE A 22 25.089 -6.493 7.455 1.00 0.00 H new ATOM 0 HG23 ILE A 22 24.675 -4.786 7.738 1.00 0.00 H new ATOM 0 HD11 ILE A 22 21.773 -3.415 9.924 1.00 0.00 H new ATOM 0 HD12 ILE A 22 23.462 -3.668 9.425 1.00 0.00 H new ATOM 0 HD13 ILE A 22 22.206 -3.380 8.198 1.00 0.00 H new ATOM 339 N ASP A 23 23.705 -4.228 5.444 1.00 0.00 N ATOM 340 CA ASP A 23 23.973 -2.830 5.033 1.00 0.00 C ATOM 341 C ASP A 23 24.878 -2.799 3.780 1.00 0.00 C ATOM 342 O ASP A 23 25.413 -3.834 3.375 1.00 0.00 O ATOM 343 CB ASP A 23 24.612 -2.076 6.239 1.00 0.00 C ATOM 344 CG ASP A 23 24.788 -0.562 6.012 1.00 0.00 C ATOM 345 OD1 ASP A 23 23.816 0.191 6.222 1.00 0.00 O ATOM 346 OD2 ASP A 23 25.889 -0.123 5.618 1.00 0.00 O ATOM 0 H ASP A 23 24.498 -4.856 5.315 1.00 0.00 H new ATOM 0 HA ASP A 23 23.045 -2.329 4.759 1.00 0.00 H new ATOM 0 HB2 ASP A 23 23.990 -2.231 7.121 1.00 0.00 H new ATOM 0 HB3 ASP A 23 25.586 -2.516 6.454 1.00 0.00 H new ATOM 351 N VAL A 24 24.999 -1.614 3.137 1.00 0.00 N ATOM 352 CA VAL A 24 25.920 -1.367 1.996 1.00 0.00 C ATOM 353 C VAL A 24 26.546 0.033 2.178 1.00 0.00 C ATOM 354 O VAL A 24 25.847 0.961 2.604 1.00 0.00 O ATOM 355 CB VAL A 24 25.193 -1.399 0.580 1.00 0.00 C ATOM 356 CG1 VAL A 24 26.204 -1.251 -0.591 1.00 0.00 C ATOM 357 CG2 VAL A 24 24.324 -2.665 0.390 1.00 0.00 C ATOM 0 H VAL A 24 24.455 -0.791 3.397 1.00 0.00 H new ATOM 0 HA VAL A 24 26.663 -2.165 2.001 1.00 0.00 H new ATOM 0 HB VAL A 24 24.525 -0.538 0.564 1.00 0.00 H new ATOM 0 HG11 VAL A 24 25.668 -1.278 -1.540 1.00 0.00 H new ATOM 0 HG12 VAL A 24 26.731 -0.302 -0.499 1.00 0.00 H new ATOM 0 HG13 VAL A 24 26.923 -2.070 -0.557 1.00 0.00 H new ATOM 0 HG21 VAL A 24 23.851 -2.637 -0.591 1.00 0.00 H new ATOM 0 HG22 VAL A 24 24.953 -3.552 0.465 1.00 0.00 H new ATOM 0 HG23 VAL A 24 23.556 -2.698 1.163 1.00 0.00 H new ATOM 367 N TYR A 25 27.847 0.183 1.858 1.00 0.00 N ATOM 368 CA TYR A 25 28.500 1.507 1.766 1.00 0.00 C ATOM 369 C TYR A 25 29.488 1.504 0.574 1.00 0.00 C ATOM 370 O TYR A 25 30.288 0.570 0.432 1.00 0.00 O ATOM 371 CB TYR A 25 29.193 1.904 3.118 1.00 0.00 C ATOM 372 CG TYR A 25 30.672 1.496 3.299 1.00 0.00 C ATOM 373 CD1 TYR A 25 31.052 0.162 3.461 1.00 0.00 C ATOM 374 CD2 TYR A 25 31.689 2.457 3.299 1.00 0.00 C ATOM 375 CE1 TYR A 25 32.383 -0.195 3.618 1.00 0.00 C ATOM 376 CE2 TYR A 25 33.014 2.101 3.453 1.00 0.00 C ATOM 377 CZ TYR A 25 33.357 0.780 3.611 1.00 0.00 C ATOM 378 OH TYR A 25 34.688 0.435 3.756 1.00 0.00 O ATOM 0 H TYR A 25 28.470 -0.600 1.658 1.00 0.00 H new ATOM 0 HA TYR A 25 27.744 2.271 1.584 1.00 0.00 H new ATOM 0 HB2 TYR A 25 29.125 2.986 3.227 1.00 0.00 H new ATOM 0 HB3 TYR A 25 28.619 1.465 3.934 1.00 0.00 H new ATOM 0 HD1 TYR A 25 30.294 -0.607 3.464 1.00 0.00 H new ATOM 0 HD2 TYR A 25 31.432 3.499 3.176 1.00 0.00 H new ATOM 0 HE1 TYR A 25 32.655 -1.232 3.745 1.00 0.00 H new ATOM 0 HE2 TYR A 25 33.781 2.861 3.449 1.00 0.00 H new ATOM 0 HH TYR A 25 34.814 -0.029 4.610 1.00 0.00 H new ATOM 388 N GLY A 26 29.387 2.532 -0.295 1.00 0.00 N ATOM 389 CA GLY A 26 30.298 2.708 -1.431 1.00 0.00 C ATOM 390 C GLY A 26 30.269 1.540 -2.414 1.00 0.00 C ATOM 391 O GLY A 26 29.284 1.356 -3.134 1.00 0.00 O ATOM 0 H GLY A 26 28.673 3.257 -0.224 1.00 0.00 H new ATOM 0 HA2 GLY A 26 30.036 3.625 -1.959 1.00 0.00 H new ATOM 0 HA3 GLY A 26 31.314 2.834 -1.057 1.00 0.00 H new ATOM 395 N ASP A 27 31.347 0.732 -2.406 1.00 0.00 N ATOM 396 CA ASP A 27 31.496 -0.446 -3.297 1.00 0.00 C ATOM 397 C ASP A 27 31.629 -1.742 -2.477 1.00 0.00 C ATOM 398 O ASP A 27 32.160 -2.750 -2.967 1.00 0.00 O ATOM 399 CB ASP A 27 32.729 -0.272 -4.223 1.00 0.00 C ATOM 400 CG ASP A 27 32.636 0.959 -5.144 1.00 0.00 C ATOM 401 OD1 ASP A 27 31.969 0.882 -6.197 1.00 0.00 O ATOM 402 OD2 ASP A 27 33.231 2.010 -4.815 1.00 0.00 O ATOM 0 H ASP A 27 32.142 0.874 -1.783 1.00 0.00 H new ATOM 0 HA ASP A 27 30.600 -0.519 -3.913 1.00 0.00 H new ATOM 0 HB2 ASP A 27 33.626 -0.190 -3.609 1.00 0.00 H new ATOM 0 HB3 ASP A 27 32.843 -1.166 -4.835 1.00 0.00 H new ATOM 407 N TYR A 28 31.104 -1.727 -1.241 1.00 0.00 N ATOM 408 CA TYR A 28 31.189 -2.869 -0.313 1.00 0.00 C ATOM 409 C TYR A 28 29.827 -3.163 0.341 1.00 0.00 C ATOM 410 O TYR A 28 29.212 -2.281 0.947 1.00 0.00 O ATOM 411 CB TYR A 28 32.251 -2.605 0.784 1.00 0.00 C ATOM 412 CG TYR A 28 33.687 -2.467 0.254 1.00 0.00 C ATOM 413 CD1 TYR A 28 34.442 -3.597 -0.079 1.00 0.00 C ATOM 414 CD2 TYR A 28 34.286 -1.218 0.086 1.00 0.00 C ATOM 415 CE1 TYR A 28 35.733 -3.481 -0.556 1.00 0.00 C ATOM 416 CE2 TYR A 28 35.577 -1.102 -0.391 1.00 0.00 C ATOM 417 CZ TYR A 28 36.295 -2.232 -0.708 1.00 0.00 C ATOM 418 OH TYR A 28 37.585 -2.110 -1.181 1.00 0.00 O ATOM 0 H TYR A 28 30.608 -0.923 -0.856 1.00 0.00 H new ATOM 0 HA TYR A 28 31.486 -3.741 -0.895 1.00 0.00 H new ATOM 0 HB2 TYR A 28 31.985 -1.694 1.319 1.00 0.00 H new ATOM 0 HB3 TYR A 28 32.220 -3.420 1.507 1.00 0.00 H new ATOM 0 HD1 TYR A 28 34.007 -4.578 0.039 1.00 0.00 H new ATOM 0 HD2 TYR A 28 33.730 -0.326 0.333 1.00 0.00 H new ATOM 0 HE1 TYR A 28 36.299 -4.365 -0.809 1.00 0.00 H new ATOM 0 HE2 TYR A 28 36.022 -0.126 -0.515 1.00 0.00 H new ATOM 0 HH TYR A 28 37.827 -1.162 -1.229 1.00 0.00 H new ATOM 428 N LEU A 29 29.377 -4.415 0.196 1.00 0.00 N ATOM 429 CA LEU A 29 28.215 -4.965 0.902 1.00 0.00 C ATOM 430 C LEU A 29 28.628 -5.381 2.334 1.00 0.00 C ATOM 431 O LEU A 29 29.442 -6.297 2.504 1.00 0.00 O ATOM 432 CB LEU A 29 27.667 -6.199 0.120 1.00 0.00 C ATOM 433 CG LEU A 29 26.500 -6.977 0.802 1.00 0.00 C ATOM 434 CD1 LEU A 29 25.232 -6.116 0.894 1.00 0.00 C ATOM 435 CD2 LEU A 29 26.217 -8.321 0.089 1.00 0.00 C ATOM 0 H LEU A 29 29.821 -5.088 -0.429 1.00 0.00 H new ATOM 0 HA LEU A 29 27.433 -4.208 0.965 1.00 0.00 H new ATOM 0 HB2 LEU A 29 27.329 -5.862 -0.860 1.00 0.00 H new ATOM 0 HB3 LEU A 29 28.491 -6.893 -0.048 1.00 0.00 H new ATOM 0 HG LEU A 29 26.816 -7.209 1.819 1.00 0.00 H new ATOM 0 HD11 LEU A 29 24.438 -6.688 1.374 1.00 0.00 H new ATOM 0 HD12 LEU A 29 25.441 -5.222 1.481 1.00 0.00 H new ATOM 0 HD13 LEU A 29 24.915 -5.826 -0.108 1.00 0.00 H new ATOM 0 HD21 LEU A 29 25.398 -8.835 0.592 1.00 0.00 H new ATOM 0 HD22 LEU A 29 25.943 -8.132 -0.949 1.00 0.00 H new ATOM 0 HD23 LEU A 29 27.110 -8.945 0.121 1.00 0.00 H new ATOM 447 N ILE A 30 28.080 -4.689 3.346 1.00 0.00 N ATOM 448 CA ILE A 30 28.298 -5.023 4.763 1.00 0.00 C ATOM 449 C ILE A 30 27.520 -6.306 5.115 1.00 0.00 C ATOM 450 O ILE A 30 26.274 -6.300 5.204 1.00 0.00 O ATOM 451 CB ILE A 30 27.853 -3.849 5.715 1.00 0.00 C ATOM 452 CG1 ILE A 30 28.576 -2.517 5.349 1.00 0.00 C ATOM 453 CG2 ILE A 30 28.072 -4.205 7.207 1.00 0.00 C ATOM 454 CD1 ILE A 30 30.076 -2.557 5.528 1.00 0.00 C ATOM 0 H ILE A 30 27.473 -3.882 3.205 1.00 0.00 H new ATOM 0 HA ILE A 30 29.366 -5.182 4.911 1.00 0.00 H new ATOM 0 HB ILE A 30 26.783 -3.704 5.566 1.00 0.00 H new ATOM 0 HG12 ILE A 30 28.352 -2.268 4.312 1.00 0.00 H new ATOM 0 HG13 ILE A 30 28.169 -1.715 5.965 1.00 0.00 H new ATOM 0 HG21 ILE A 30 27.753 -3.370 7.831 1.00 0.00 H new ATOM 0 HG22 ILE A 30 27.488 -5.090 7.459 1.00 0.00 H new ATOM 0 HG23 ILE A 30 29.129 -4.405 7.382 1.00 0.00 H new ATOM 0 HD11 ILE A 30 30.501 -1.592 5.252 1.00 0.00 H new ATOM 0 HD12 ILE A 30 30.312 -2.773 6.570 1.00 0.00 H new ATOM 0 HD13 ILE A 30 30.498 -3.335 4.891 1.00 0.00 H new ATOM 466 N VAL A 31 28.270 -7.405 5.267 1.00 0.00 N ATOM 467 CA VAL A 31 27.730 -8.710 5.644 1.00 0.00 C ATOM 468 C VAL A 31 28.038 -8.974 7.127 1.00 0.00 C ATOM 469 O VAL A 31 29.211 -9.013 7.521 1.00 0.00 O ATOM 470 CB VAL A 31 28.345 -9.854 4.753 1.00 0.00 C ATOM 471 CG1 VAL A 31 27.701 -11.222 5.060 1.00 0.00 C ATOM 472 CG2 VAL A 31 28.256 -9.500 3.248 1.00 0.00 C ATOM 0 H VAL A 31 29.281 -7.409 5.129 1.00 0.00 H new ATOM 0 HA VAL A 31 26.652 -8.704 5.486 1.00 0.00 H new ATOM 0 HB VAL A 31 29.402 -9.937 5.006 1.00 0.00 H new ATOM 0 HG11 VAL A 31 28.151 -11.986 4.426 1.00 0.00 H new ATOM 0 HG12 VAL A 31 27.867 -11.475 6.107 1.00 0.00 H new ATOM 0 HG13 VAL A 31 26.630 -11.172 4.864 1.00 0.00 H new ATOM 0 HG21 VAL A 31 28.688 -10.308 2.658 1.00 0.00 H new ATOM 0 HG22 VAL A 31 27.212 -9.364 2.967 1.00 0.00 H new ATOM 0 HG23 VAL A 31 28.806 -8.578 3.058 1.00 0.00 H new ATOM 482 N LYS A 32 26.982 -9.127 7.942 1.00 0.00 N ATOM 483 CA LYS A 32 27.121 -9.489 9.362 1.00 0.00 C ATOM 484 C LYS A 32 27.478 -10.988 9.431 1.00 0.00 C ATOM 485 O LYS A 32 26.694 -11.838 8.991 1.00 0.00 O ATOM 486 CB LYS A 32 25.808 -9.177 10.159 1.00 0.00 C ATOM 487 CG LYS A 32 25.987 -8.914 11.687 1.00 0.00 C ATOM 488 CD LYS A 32 26.636 -10.078 12.478 1.00 0.00 C ATOM 489 CE LYS A 32 26.743 -9.787 13.987 1.00 0.00 C ATOM 490 NZ LYS A 32 25.407 -9.702 14.633 1.00 0.00 N ATOM 0 H LYS A 32 26.016 -9.005 7.639 1.00 0.00 H new ATOM 0 HA LYS A 32 27.910 -8.896 9.825 1.00 0.00 H new ATOM 0 HB2 LYS A 32 25.333 -8.303 9.712 1.00 0.00 H new ATOM 0 HB3 LYS A 32 25.121 -10.013 10.032 1.00 0.00 H new ATOM 0 HG2 LYS A 32 26.597 -8.020 11.818 1.00 0.00 H new ATOM 0 HG3 LYS A 32 25.010 -8.699 12.121 1.00 0.00 H new ATOM 0 HD2 LYS A 32 26.050 -10.985 12.328 1.00 0.00 H new ATOM 0 HD3 LYS A 32 27.631 -10.272 12.079 1.00 0.00 H new ATOM 0 HE2 LYS A 32 27.329 -10.571 14.467 1.00 0.00 H new ATOM 0 HE3 LYS A 32 27.279 -8.850 14.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 25.523 -9.641 15.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 24.909 -8.856 14.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 24.853 -10.550 14.397 1.00 0.00 H new ATOM 504 N VAL A 33 28.676 -11.284 9.963 1.00 0.00 N ATOM 505 CA VAL A 33 29.217 -12.651 10.063 1.00 0.00 C ATOM 506 C VAL A 33 29.626 -12.971 11.525 1.00 0.00 C ATOM 507 O VAL A 33 30.689 -12.553 12.007 1.00 0.00 O ATOM 508 CB VAL A 33 30.425 -12.852 9.061 1.00 0.00 C ATOM 509 CG1 VAL A 33 29.946 -12.813 7.594 1.00 0.00 C ATOM 510 CG2 VAL A 33 31.525 -11.793 9.275 1.00 0.00 C ATOM 0 H VAL A 33 29.303 -10.573 10.340 1.00 0.00 H new ATOM 0 HA VAL A 33 28.435 -13.355 9.777 1.00 0.00 H new ATOM 0 HB VAL A 33 30.847 -13.835 9.270 1.00 0.00 H new ATOM 0 HG11 VAL A 33 30.798 -12.954 6.929 1.00 0.00 H new ATOM 0 HG12 VAL A 33 29.220 -13.609 7.427 1.00 0.00 H new ATOM 0 HG13 VAL A 33 29.481 -11.849 7.389 1.00 0.00 H new ATOM 0 HG21 VAL A 33 32.337 -11.964 8.569 1.00 0.00 H new ATOM 0 HG22 VAL A 33 31.109 -10.798 9.115 1.00 0.00 H new ATOM 0 HG23 VAL A 33 31.908 -11.867 10.293 1.00 0.00 H new ATOM 520 N GLY A 34 28.744 -13.686 12.241 1.00 0.00 N ATOM 521 CA GLY A 34 29.008 -14.119 13.615 1.00 0.00 C ATOM 522 C GLY A 34 29.123 -12.949 14.596 1.00 0.00 C ATOM 523 O GLY A 34 28.119 -12.508 15.155 1.00 0.00 O ATOM 0 H GLY A 34 27.834 -13.977 11.883 1.00 0.00 H new ATOM 0 HA2 GLY A 34 28.208 -14.783 13.942 1.00 0.00 H new ATOM 0 HA3 GLY A 34 29.931 -14.698 13.637 1.00 0.00 H new ATOM 527 N THR A 35 30.356 -12.424 14.764 1.00 0.00 N ATOM 528 CA THR A 35 30.669 -11.330 15.704 1.00 0.00 C ATOM 529 C THR A 35 31.125 -10.057 14.952 1.00 0.00 C ATOM 530 O THR A 35 31.020 -8.942 15.482 1.00 0.00 O ATOM 531 CB THR A 35 31.791 -11.769 16.707 1.00 0.00 C ATOM 532 OG1 THR A 35 32.991 -12.117 15.988 1.00 0.00 O ATOM 533 CG2 THR A 35 31.356 -12.968 17.575 1.00 0.00 C ATOM 0 H THR A 35 31.170 -12.753 14.244 1.00 0.00 H new ATOM 0 HA THR A 35 29.757 -11.103 16.256 1.00 0.00 H new ATOM 0 HB THR A 35 31.980 -10.923 17.367 1.00 0.00 H new ATOM 0 HG1 THR A 35 33.686 -12.388 16.623 1.00 0.00 H new ATOM 0 HG21 THR A 35 32.164 -13.237 18.255 1.00 0.00 H new ATOM 0 HG22 THR A 35 30.472 -12.698 18.152 1.00 0.00 H new ATOM 0 HG23 THR A 35 31.124 -13.817 16.932 1.00 0.00 H new ATOM 541 N GLU A 36 31.606 -10.236 13.701 1.00 0.00 N ATOM 542 CA GLU A 36 32.231 -9.155 12.904 1.00 0.00 C ATOM 543 C GLU A 36 31.327 -8.724 11.740 1.00 0.00 C ATOM 544 O GLU A 36 30.260 -9.301 11.499 1.00 0.00 O ATOM 545 CB GLU A 36 33.611 -9.616 12.332 1.00 0.00 C ATOM 546 CG GLU A 36 34.654 -10.026 13.385 1.00 0.00 C ATOM 547 CD GLU A 36 36.038 -10.309 12.774 1.00 0.00 C ATOM 548 OE1 GLU A 36 36.793 -9.340 12.506 1.00 0.00 O ATOM 549 OE2 GLU A 36 36.381 -11.493 12.551 1.00 0.00 O ATOM 0 H GLU A 36 31.572 -11.133 13.216 1.00 0.00 H new ATOM 0 HA GLU A 36 32.377 -8.306 13.572 1.00 0.00 H new ATOM 0 HB2 GLU A 36 33.445 -10.459 11.662 1.00 0.00 H new ATOM 0 HB3 GLU A 36 34.025 -8.807 11.730 1.00 0.00 H new ATOM 0 HG2 GLU A 36 34.745 -9.233 14.128 1.00 0.00 H new ATOM 0 HG3 GLU A 36 34.304 -10.915 13.909 1.00 0.00 H new ATOM 556 N PHE A 37 31.774 -7.665 11.039 1.00 0.00 N ATOM 557 CA PHE A 37 31.152 -7.176 9.806 1.00 0.00 C ATOM 558 C PHE A 37 32.200 -7.228 8.686 1.00 0.00 C ATOM 559 O PHE A 37 33.164 -6.453 8.683 1.00 0.00 O ATOM 560 CB PHE A 37 30.616 -5.728 10.003 1.00 0.00 C ATOM 561 CG PHE A 37 29.493 -5.615 11.037 1.00 0.00 C ATOM 562 CD1 PHE A 37 29.773 -5.597 12.404 1.00 0.00 C ATOM 563 CD2 PHE A 37 28.160 -5.537 10.643 1.00 0.00 C ATOM 564 CE1 PHE A 37 28.760 -5.504 13.338 1.00 0.00 C ATOM 565 CE2 PHE A 37 27.149 -5.443 11.577 1.00 0.00 C ATOM 566 CZ PHE A 37 27.450 -5.425 12.925 1.00 0.00 C ATOM 0 H PHE A 37 32.589 -7.121 11.322 1.00 0.00 H new ATOM 0 HA PHE A 37 30.301 -7.803 9.540 1.00 0.00 H new ATOM 0 HB2 PHE A 37 31.442 -5.084 10.307 1.00 0.00 H new ATOM 0 HB3 PHE A 37 30.254 -5.352 9.046 1.00 0.00 H new ATOM 0 HD1 PHE A 37 30.799 -5.657 12.737 1.00 0.00 H new ATOM 0 HD2 PHE A 37 27.914 -5.550 9.591 1.00 0.00 H new ATOM 0 HE1 PHE A 37 28.996 -5.493 14.392 1.00 0.00 H new ATOM 0 HE2 PHE A 37 26.120 -5.383 11.254 1.00 0.00 H new ATOM 0 HZ PHE A 37 26.657 -5.349 13.655 1.00 0.00 H new ATOM 576 N LEU A 38 32.007 -8.174 7.759 1.00 0.00 N ATOM 577 CA LEU A 38 32.871 -8.371 6.588 1.00 0.00 C ATOM 578 C LEU A 38 32.234 -7.653 5.401 1.00 0.00 C ATOM 579 O LEU A 38 31.211 -8.098 4.866 1.00 0.00 O ATOM 580 CB LEU A 38 33.045 -9.900 6.309 1.00 0.00 C ATOM 581 CG LEU A 38 34.285 -10.614 6.950 1.00 0.00 C ATOM 582 CD1 LEU A 38 35.542 -10.394 6.107 1.00 0.00 C ATOM 583 CD2 LEU A 38 34.525 -10.184 8.413 1.00 0.00 C ATOM 0 H LEU A 38 31.232 -8.836 7.802 1.00 0.00 H new ATOM 0 HA LEU A 38 33.864 -7.957 6.764 1.00 0.00 H new ATOM 0 HB2 LEU A 38 32.146 -10.410 6.656 1.00 0.00 H new ATOM 0 HB3 LEU A 38 33.096 -10.042 5.229 1.00 0.00 H new ATOM 0 HG LEU A 38 34.059 -11.680 6.965 1.00 0.00 H new ATOM 0 HD11 LEU A 38 36.387 -10.900 6.575 1.00 0.00 H new ATOM 0 HD12 LEU A 38 35.385 -10.798 5.107 1.00 0.00 H new ATOM 0 HD13 LEU A 38 35.751 -9.327 6.038 1.00 0.00 H new ATOM 0 HD21 LEU A 38 35.395 -10.708 8.808 1.00 0.00 H new ATOM 0 HD22 LEU A 38 34.700 -9.109 8.452 1.00 0.00 H new ATOM 0 HD23 LEU A 38 33.649 -10.431 9.013 1.00 0.00 H new ATOM 595 N ALA A 39 32.834 -6.520 5.033 1.00 0.00 N ATOM 596 CA ALA A 39 32.390 -5.715 3.901 1.00 0.00 C ATOM 597 C ALA A 39 32.971 -6.295 2.609 1.00 0.00 C ATOM 598 O ALA A 39 34.112 -5.989 2.234 1.00 0.00 O ATOM 599 CB ALA A 39 32.818 -4.256 4.108 1.00 0.00 C ATOM 0 H ALA A 39 33.646 -6.136 5.516 1.00 0.00 H new ATOM 0 HA ALA A 39 31.303 -5.737 3.825 1.00 0.00 H new ATOM 0 HB1 ALA A 39 32.485 -3.656 3.261 1.00 0.00 H new ATOM 0 HB2 ALA A 39 32.369 -3.872 5.024 1.00 0.00 H new ATOM 0 HB3 ALA A 39 33.904 -4.203 4.186 1.00 0.00 H new ATOM 605 N VAL A 40 32.191 -7.169 1.960 1.00 0.00 N ATOM 606 CA VAL A 40 32.608 -7.852 0.726 1.00 0.00 C ATOM 607 C VAL A 40 32.478 -6.875 -0.468 1.00 0.00 C ATOM 608 O VAL A 40 31.497 -6.130 -0.535 1.00 0.00 O ATOM 609 CB VAL A 40 31.771 -9.180 0.482 1.00 0.00 C ATOM 610 CG1 VAL A 40 31.778 -10.072 1.744 1.00 0.00 C ATOM 611 CG2 VAL A 40 30.319 -8.900 0.020 1.00 0.00 C ATOM 0 H VAL A 40 31.254 -7.423 2.274 1.00 0.00 H new ATOM 0 HA VAL A 40 33.650 -8.154 0.826 1.00 0.00 H new ATOM 0 HB VAL A 40 32.263 -9.712 -0.332 1.00 0.00 H new ATOM 0 HG11 VAL A 40 31.199 -10.976 1.554 1.00 0.00 H new ATOM 0 HG12 VAL A 40 32.804 -10.344 1.992 1.00 0.00 H new ATOM 0 HG13 VAL A 40 31.336 -9.526 2.578 1.00 0.00 H new ATOM 0 HG21 VAL A 40 29.797 -9.845 -0.131 1.00 0.00 H new ATOM 0 HG22 VAL A 40 29.801 -8.316 0.781 1.00 0.00 H new ATOM 0 HG23 VAL A 40 30.336 -8.342 -0.916 1.00 0.00 H new ATOM 621 N PRO A 41 33.477 -6.815 -1.408 1.00 0.00 N ATOM 622 CA PRO A 41 33.368 -5.957 -2.616 1.00 0.00 C ATOM 623 C PRO A 41 32.184 -6.392 -3.508 1.00 0.00 C ATOM 624 O PRO A 41 31.823 -7.571 -3.531 1.00 0.00 O ATOM 625 CB PRO A 41 34.744 -6.136 -3.314 1.00 0.00 C ATOM 626 CG PRO A 41 35.268 -7.440 -2.797 1.00 0.00 C ATOM 627 CD PRO A 41 34.776 -7.541 -1.367 1.00 0.00 C ATOM 0 HA PRO A 41 33.161 -4.912 -2.387 1.00 0.00 H new ATOM 0 HB2 PRO A 41 34.638 -6.154 -4.399 1.00 0.00 H new ATOM 0 HB3 PRO A 41 35.419 -5.315 -3.074 1.00 0.00 H new ATOM 0 HG2 PRO A 41 34.903 -8.274 -3.397 1.00 0.00 H new ATOM 0 HG3 PRO A 41 36.357 -7.469 -2.840 1.00 0.00 H new ATOM 0 HD2 PRO A 41 34.649 -8.578 -1.056 1.00 0.00 H new ATOM 0 HD3 PRO A 41 35.473 -7.081 -0.667 1.00 0.00 H new ATOM 635 N LYS A 42 31.577 -5.429 -4.223 1.00 0.00 N ATOM 636 CA LYS A 42 30.403 -5.686 -5.091 1.00 0.00 C ATOM 637 C LYS A 42 30.749 -6.646 -6.258 1.00 0.00 C ATOM 638 O LYS A 42 29.880 -7.364 -6.763 1.00 0.00 O ATOM 639 CB LYS A 42 29.832 -4.344 -5.625 1.00 0.00 C ATOM 640 CG LYS A 42 29.230 -3.414 -4.540 1.00 0.00 C ATOM 641 CD LYS A 42 27.968 -3.996 -3.856 1.00 0.00 C ATOM 642 CE LYS A 42 26.817 -4.227 -4.851 1.00 0.00 C ATOM 643 NZ LYS A 42 25.575 -4.692 -4.184 1.00 0.00 N ATOM 0 H LYS A 42 31.880 -4.455 -4.219 1.00 0.00 H new ATOM 0 HA LYS A 42 29.640 -6.179 -4.489 1.00 0.00 H new ATOM 0 HB2 LYS A 42 30.627 -3.808 -6.142 1.00 0.00 H new ATOM 0 HB3 LYS A 42 29.061 -4.562 -6.364 1.00 0.00 H new ATOM 0 HG2 LYS A 42 29.987 -3.218 -3.781 1.00 0.00 H new ATOM 0 HG3 LYS A 42 28.978 -2.456 -4.994 1.00 0.00 H new ATOM 0 HD2 LYS A 42 28.222 -4.939 -3.373 1.00 0.00 H new ATOM 0 HD3 LYS A 42 27.636 -3.315 -3.072 1.00 0.00 H new ATOM 0 HE2 LYS A 42 26.613 -3.300 -5.387 1.00 0.00 H new ATOM 0 HE3 LYS A 42 27.125 -4.963 -5.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 24.830 -4.833 -4.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 25.760 -5.590 -3.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 25.264 -3.979 -3.494 1.00 0.00 H new ATOM 657 N LYS A 43 32.039 -6.657 -6.647 1.00 0.00 N ATOM 658 CA LYS A 43 32.576 -7.569 -7.677 1.00 0.00 C ATOM 659 C LYS A 43 32.562 -9.039 -7.194 1.00 0.00 C ATOM 660 O LYS A 43 32.539 -9.960 -8.012 1.00 0.00 O ATOM 661 CB LYS A 43 34.014 -7.143 -8.080 1.00 0.00 C ATOM 662 CG LYS A 43 35.048 -7.187 -6.932 1.00 0.00 C ATOM 663 CD LYS A 43 36.474 -6.713 -7.336 1.00 0.00 C ATOM 664 CE LYS A 43 36.602 -5.192 -7.599 1.00 0.00 C ATOM 665 NZ LYS A 43 35.905 -4.734 -8.834 1.00 0.00 N ATOM 0 H LYS A 43 32.741 -6.031 -6.254 1.00 0.00 H new ATOM 0 HA LYS A 43 31.930 -7.501 -8.552 1.00 0.00 H new ATOM 0 HB2 LYS A 43 34.358 -7.792 -8.885 1.00 0.00 H new ATOM 0 HB3 LYS A 43 33.979 -6.130 -8.480 1.00 0.00 H new ATOM 0 HG2 LYS A 43 34.690 -6.565 -6.112 1.00 0.00 H new ATOM 0 HG3 LYS A 43 35.111 -8.207 -6.554 1.00 0.00 H new ATOM 0 HD2 LYS A 43 37.172 -6.991 -6.546 1.00 0.00 H new ATOM 0 HD3 LYS A 43 36.779 -7.250 -8.234 1.00 0.00 H new ATOM 0 HE2 LYS A 43 36.199 -4.650 -6.744 1.00 0.00 H new ATOM 0 HE3 LYS A 43 37.658 -4.933 -7.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 36.482 -4.013 -9.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 35.763 -5.542 -9.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 34.982 -4.327 -8.581 1.00 0.00 H new ATOM 679 N SER A 44 32.561 -9.242 -5.860 1.00 0.00 N ATOM 680 CA SER A 44 32.520 -10.585 -5.258 1.00 0.00 C ATOM 681 C SER A 44 31.121 -11.216 -5.431 1.00 0.00 C ATOM 682 O SER A 44 31.018 -12.437 -5.502 1.00 0.00 O ATOM 683 CB SER A 44 32.928 -10.540 -3.764 1.00 0.00 C ATOM 684 OG SER A 44 33.039 -11.844 -3.200 1.00 0.00 O ATOM 0 H SER A 44 32.588 -8.485 -5.177 1.00 0.00 H new ATOM 0 HA SER A 44 33.243 -11.212 -5.780 1.00 0.00 H new ATOM 0 HB2 SER A 44 33.881 -10.020 -3.664 1.00 0.00 H new ATOM 0 HB3 SER A 44 32.191 -9.965 -3.204 1.00 0.00 H new ATOM 0 HG SER A 44 33.299 -11.772 -2.258 1.00 0.00 H new ATOM 690 N ILE A 45 30.051 -10.380 -5.533 1.00 0.00 N ATOM 691 CA ILE A 45 28.670 -10.887 -5.743 1.00 0.00 C ATOM 692 C ILE A 45 28.577 -11.508 -7.158 1.00 0.00 C ATOM 693 O ILE A 45 28.770 -10.821 -8.162 1.00 0.00 O ATOM 694 CB ILE A 45 27.545 -9.774 -5.539 1.00 0.00 C ATOM 695 CG1 ILE A 45 27.422 -9.303 -4.038 1.00 0.00 C ATOM 696 CG2 ILE A 45 26.159 -10.273 -6.046 1.00 0.00 C ATOM 697 CD1 ILE A 45 28.602 -8.530 -3.472 1.00 0.00 C ATOM 0 H ILE A 45 30.119 -9.364 -5.474 1.00 0.00 H new ATOM 0 HA ILE A 45 28.476 -11.641 -4.980 1.00 0.00 H new ATOM 0 HB ILE A 45 27.858 -8.916 -6.133 1.00 0.00 H new ATOM 0 HG12 ILE A 45 26.531 -8.681 -3.947 1.00 0.00 H new ATOM 0 HG13 ILE A 45 27.261 -10.183 -3.416 1.00 0.00 H new ATOM 0 HG21 ILE A 45 25.413 -9.493 -5.894 1.00 0.00 H new ATOM 0 HG22 ILE A 45 26.224 -10.510 -7.108 1.00 0.00 H new ATOM 0 HG23 ILE A 45 25.869 -11.166 -5.492 1.00 0.00 H new ATOM 0 HD11 ILE A 45 28.398 -8.262 -2.435 1.00 0.00 H new ATOM 0 HD12 ILE A 45 29.498 -9.149 -3.517 1.00 0.00 H new ATOM 0 HD13 ILE A 45 28.757 -7.623 -4.057 1.00 0.00 H new ATOM 709 N LYS A 46 28.333 -12.826 -7.203 1.00 0.00 N ATOM 710 CA LYS A 46 28.236 -13.612 -8.451 1.00 0.00 C ATOM 711 C LYS A 46 26.780 -13.684 -8.945 1.00 0.00 C ATOM 712 O LYS A 46 26.494 -13.417 -10.118 1.00 0.00 O ATOM 713 CB LYS A 46 28.803 -15.043 -8.213 1.00 0.00 C ATOM 714 CG LYS A 46 30.286 -15.126 -7.739 1.00 0.00 C ATOM 715 CD LYS A 46 31.329 -14.531 -8.745 1.00 0.00 C ATOM 716 CE LYS A 46 31.582 -13.019 -8.558 1.00 0.00 C ATOM 717 NZ LYS A 46 32.513 -12.448 -9.564 1.00 0.00 N ATOM 0 H LYS A 46 28.195 -13.388 -6.363 1.00 0.00 H new ATOM 0 HA LYS A 46 28.825 -13.117 -9.223 1.00 0.00 H new ATOM 0 HB2 LYS A 46 28.178 -15.540 -7.471 1.00 0.00 H new ATOM 0 HB3 LYS A 46 28.708 -15.608 -9.140 1.00 0.00 H new ATOM 0 HG2 LYS A 46 30.379 -14.602 -6.788 1.00 0.00 H new ATOM 0 HG3 LYS A 46 30.536 -16.171 -7.553 1.00 0.00 H new ATOM 0 HD2 LYS A 46 32.273 -15.064 -8.633 1.00 0.00 H new ATOM 0 HD3 LYS A 46 30.981 -14.709 -9.763 1.00 0.00 H new ATOM 0 HE2 LYS A 46 30.631 -12.490 -8.612 1.00 0.00 H new ATOM 0 HE3 LYS A 46 31.986 -12.846 -7.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 32.773 -11.480 -9.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 33.370 -13.035 -9.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 32.049 -12.429 -10.495 1.00 0.00 H new ATOM 731 N SER A 47 25.870 -14.024 -8.021 1.00 0.00 N ATOM 732 CA SER A 47 24.451 -14.244 -8.328 1.00 0.00 C ATOM 733 C SER A 47 23.567 -13.624 -7.241 1.00 0.00 C ATOM 734 O SER A 47 23.940 -13.581 -6.057 1.00 0.00 O ATOM 735 CB SER A 47 24.168 -15.762 -8.461 1.00 0.00 C ATOM 736 OG SER A 47 22.820 -16.023 -8.832 1.00 0.00 O ATOM 0 H SER A 47 26.099 -14.154 -7.036 1.00 0.00 H new ATOM 0 HA SER A 47 24.216 -13.760 -9.276 1.00 0.00 H new ATOM 0 HB2 SER A 47 24.838 -16.192 -9.205 1.00 0.00 H new ATOM 0 HB3 SER A 47 24.385 -16.255 -7.514 1.00 0.00 H new ATOM 0 HG SER A 47 22.683 -16.990 -8.907 1.00 0.00 H new ATOM 742 N VAL A 48 22.387 -13.153 -7.667 1.00 0.00 N ATOM 743 CA VAL A 48 21.355 -12.571 -6.786 1.00 0.00 C ATOM 744 C VAL A 48 20.042 -13.373 -6.946 1.00 0.00 C ATOM 745 O VAL A 48 19.550 -13.585 -8.065 1.00 0.00 O ATOM 746 CB VAL A 48 21.131 -11.028 -7.074 1.00 0.00 C ATOM 747 CG1 VAL A 48 20.828 -10.750 -8.571 1.00 0.00 C ATOM 748 CG2 VAL A 48 20.030 -10.427 -6.147 1.00 0.00 C ATOM 0 H VAL A 48 22.114 -13.164 -8.650 1.00 0.00 H new ATOM 0 HA VAL A 48 21.696 -12.642 -5.753 1.00 0.00 H new ATOM 0 HB VAL A 48 22.069 -10.523 -6.842 1.00 0.00 H new ATOM 0 HG11 VAL A 48 20.682 -9.680 -8.720 1.00 0.00 H new ATOM 0 HG12 VAL A 48 21.665 -11.090 -9.181 1.00 0.00 H new ATOM 0 HG13 VAL A 48 19.924 -11.284 -8.865 1.00 0.00 H new ATOM 0 HG21 VAL A 48 19.903 -9.368 -6.372 1.00 0.00 H new ATOM 0 HG22 VAL A 48 19.088 -10.949 -6.315 1.00 0.00 H new ATOM 0 HG23 VAL A 48 20.328 -10.543 -5.105 1.00 0.00 H new ATOM 758 N GLU A 49 19.504 -13.852 -5.809 1.00 0.00 N ATOM 759 CA GLU A 49 18.303 -14.717 -5.754 1.00 0.00 C ATOM 760 C GLU A 49 17.397 -14.267 -4.593 1.00 0.00 C ATOM 761 O GLU A 49 17.817 -13.471 -3.741 1.00 0.00 O ATOM 762 CB GLU A 49 18.703 -16.215 -5.559 1.00 0.00 C ATOM 763 CG GLU A 49 19.664 -16.781 -6.621 1.00 0.00 C ATOM 764 CD GLU A 49 19.974 -18.275 -6.420 1.00 0.00 C ATOM 765 OE1 GLU A 49 20.853 -18.612 -5.596 1.00 0.00 O ATOM 766 OE2 GLU A 49 19.321 -19.124 -7.068 1.00 0.00 O ATOM 0 H GLU A 49 19.894 -13.648 -4.889 1.00 0.00 H new ATOM 0 HA GLU A 49 17.766 -14.625 -6.698 1.00 0.00 H new ATOM 0 HB2 GLU A 49 19.165 -16.326 -4.578 1.00 0.00 H new ATOM 0 HB3 GLU A 49 17.796 -16.819 -5.554 1.00 0.00 H new ATOM 0 HG2 GLU A 49 19.229 -16.636 -7.610 1.00 0.00 H new ATOM 0 HG3 GLU A 49 20.596 -16.216 -6.597 1.00 0.00 H new ATOM 773 N ASP A 50 16.162 -14.797 -4.560 1.00 0.00 N ATOM 774 CA ASP A 50 15.205 -14.547 -3.462 1.00 0.00 C ATOM 775 C ASP A 50 15.748 -15.116 -2.134 1.00 0.00 C ATOM 776 O ASP A 50 15.707 -16.331 -1.903 1.00 0.00 O ATOM 777 CB ASP A 50 13.818 -15.165 -3.793 1.00 0.00 C ATOM 778 CG ASP A 50 13.100 -14.482 -4.975 1.00 0.00 C ATOM 779 OD1 ASP A 50 13.329 -14.881 -6.141 1.00 0.00 O ATOM 780 OD2 ASP A 50 12.280 -13.564 -4.744 1.00 0.00 O ATOM 0 H ASP A 50 15.798 -15.409 -5.290 1.00 0.00 H new ATOM 0 HA ASP A 50 15.082 -13.470 -3.352 1.00 0.00 H new ATOM 0 HB2 ASP A 50 13.947 -16.223 -4.020 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.183 -15.104 -2.909 1.00 0.00 H new ATOM 785 N GLY A 51 16.318 -14.225 -1.302 1.00 0.00 N ATOM 786 CA GLY A 51 16.828 -14.594 0.022 1.00 0.00 C ATOM 787 C GLY A 51 18.257 -15.138 -0.001 1.00 0.00 C ATOM 788 O GLY A 51 18.798 -15.481 1.057 1.00 0.00 O ATOM 0 H GLY A 51 16.435 -13.238 -1.530 1.00 0.00 H new ATOM 0 HA2 GLY A 51 16.791 -13.720 0.672 1.00 0.00 H new ATOM 0 HA3 GLY A 51 16.170 -15.345 0.459 1.00 0.00 H new ATOM 792 N ARG A 52 18.885 -15.197 -1.200 1.00 0.00 N ATOM 793 CA ARG A 52 20.252 -15.738 -1.369 1.00 0.00 C ATOM 794 C ARG A 52 21.113 -14.764 -2.190 1.00 0.00 C ATOM 795 O ARG A 52 20.736 -14.381 -3.293 1.00 0.00 O ATOM 796 CB ARG A 52 20.211 -17.129 -2.075 1.00 0.00 C ATOM 797 CG ARG A 52 19.364 -18.198 -1.350 1.00 0.00 C ATOM 798 CD ARG A 52 19.470 -19.597 -1.988 1.00 0.00 C ATOM 799 NE ARG A 52 18.952 -19.635 -3.371 1.00 0.00 N ATOM 800 CZ ARG A 52 17.938 -20.407 -3.802 1.00 0.00 C ATOM 801 NH1 ARG A 52 17.298 -21.223 -2.972 1.00 0.00 N ATOM 802 NH2 ARG A 52 17.575 -20.358 -5.072 1.00 0.00 N ATOM 0 H ARG A 52 18.461 -14.873 -2.069 1.00 0.00 H new ATOM 0 HA ARG A 52 20.694 -15.860 -0.380 1.00 0.00 H new ATOM 0 HB2 ARG A 52 19.819 -16.998 -3.084 1.00 0.00 H new ATOM 0 HB3 ARG A 52 21.231 -17.500 -2.175 1.00 0.00 H new ATOM 0 HG2 ARG A 52 19.680 -18.257 -0.308 1.00 0.00 H new ATOM 0 HG3 ARG A 52 18.320 -17.885 -1.349 1.00 0.00 H new ATOM 0 HD2 ARG A 52 20.513 -19.914 -1.986 1.00 0.00 H new ATOM 0 HD3 ARG A 52 18.918 -20.312 -1.378 1.00 0.00 H new ATOM 0 HE ARG A 52 19.400 -19.026 -4.055 1.00 0.00 H new ATOM 0 HH11 ARG A 52 17.573 -21.271 -1.991 1.00 0.00 H new ATOM 0 HH12 ARG A 52 16.531 -21.801 -3.316 1.00 0.00 H new ATOM 0 HH21 ARG A 52 18.063 -19.738 -5.718 1.00 0.00 H new ATOM 0 HH22 ARG A 52 16.807 -20.941 -5.406 1.00 0.00 H new ATOM 816 N ILE A 53 22.266 -14.364 -1.625 1.00 0.00 N ATOM 817 CA ILE A 53 23.302 -13.591 -2.335 1.00 0.00 C ATOM 818 C ILE A 53 24.547 -14.469 -2.427 1.00 0.00 C ATOM 819 O ILE A 53 25.279 -14.622 -1.446 1.00 0.00 O ATOM 820 CB ILE A 53 23.657 -12.232 -1.600 1.00 0.00 C ATOM 821 CG1 ILE A 53 22.393 -11.332 -1.441 1.00 0.00 C ATOM 822 CG2 ILE A 53 24.799 -11.459 -2.322 1.00 0.00 C ATOM 823 CD1 ILE A 53 21.712 -10.955 -2.748 1.00 0.00 C ATOM 0 H ILE A 53 22.507 -14.569 -0.655 1.00 0.00 H new ATOM 0 HA ILE A 53 22.926 -13.321 -3.322 1.00 0.00 H new ATOM 0 HB ILE A 53 24.019 -12.493 -0.606 1.00 0.00 H new ATOM 0 HG12 ILE A 53 21.672 -11.850 -0.808 1.00 0.00 H new ATOM 0 HG13 ILE A 53 22.678 -10.419 -0.919 1.00 0.00 H new ATOM 0 HG21 ILE A 53 25.009 -10.535 -1.784 1.00 0.00 H new ATOM 0 HG22 ILE A 53 25.697 -12.076 -2.347 1.00 0.00 H new ATOM 0 HG23 ILE A 53 24.492 -11.224 -3.341 1.00 0.00 H new ATOM 0 HD11 ILE A 53 20.844 -10.329 -2.539 1.00 0.00 H new ATOM 0 HD12 ILE A 53 22.412 -10.406 -3.378 1.00 0.00 H new ATOM 0 HD13 ILE A 53 21.391 -11.859 -3.265 1.00 0.00 H new ATOM 835 N VAL A 54 24.774 -15.056 -3.603 1.00 0.00 N ATOM 836 CA VAL A 54 25.916 -15.931 -3.832 1.00 0.00 C ATOM 837 C VAL A 54 27.109 -15.069 -4.230 1.00 0.00 C ATOM 838 O VAL A 54 27.060 -14.390 -5.249 1.00 0.00 O ATOM 839 CB VAL A 54 25.615 -17.007 -4.933 1.00 0.00 C ATOM 840 CG1 VAL A 54 26.814 -17.972 -5.110 1.00 0.00 C ATOM 841 CG2 VAL A 54 24.309 -17.772 -4.598 1.00 0.00 C ATOM 0 H VAL A 54 24.172 -14.937 -4.418 1.00 0.00 H new ATOM 0 HA VAL A 54 26.136 -16.477 -2.915 1.00 0.00 H new ATOM 0 HB VAL A 54 25.469 -16.497 -5.885 1.00 0.00 H new ATOM 0 HG11 VAL A 54 26.579 -18.708 -5.879 1.00 0.00 H new ATOM 0 HG12 VAL A 54 27.696 -17.405 -5.408 1.00 0.00 H new ATOM 0 HG13 VAL A 54 27.012 -18.483 -4.168 1.00 0.00 H new ATOM 0 HG21 VAL A 54 24.114 -18.515 -5.371 1.00 0.00 H new ATOM 0 HG22 VAL A 54 24.416 -18.271 -3.635 1.00 0.00 H new ATOM 0 HG23 VAL A 54 23.477 -17.069 -4.552 1.00 0.00 H new ATOM 851 N ILE A 55 28.140 -15.060 -3.384 1.00 0.00 N ATOM 852 CA ILE A 55 29.410 -14.385 -3.662 1.00 0.00 C ATOM 853 C ILE A 55 30.491 -15.437 -3.965 1.00 0.00 C ATOM 854 O ILE A 55 30.237 -16.645 -3.896 1.00 0.00 O ATOM 855 CB ILE A 55 29.865 -13.449 -2.468 1.00 0.00 C ATOM 856 CG1 ILE A 55 30.200 -14.273 -1.185 1.00 0.00 C ATOM 857 CG2 ILE A 55 28.793 -12.367 -2.167 1.00 0.00 C ATOM 858 CD1 ILE A 55 30.799 -13.471 -0.039 1.00 0.00 C ATOM 0 H ILE A 55 28.117 -15.526 -2.477 1.00 0.00 H new ATOM 0 HA ILE A 55 29.267 -13.741 -4.530 1.00 0.00 H new ATOM 0 HB ILE A 55 30.779 -12.944 -2.781 1.00 0.00 H new ATOM 0 HG12 ILE A 55 29.288 -14.754 -0.833 1.00 0.00 H new ATOM 0 HG13 ILE A 55 30.896 -15.068 -1.454 1.00 0.00 H new ATOM 0 HG21 ILE A 55 29.132 -11.739 -1.343 1.00 0.00 H new ATOM 0 HG22 ILE A 55 28.639 -11.751 -3.053 1.00 0.00 H new ATOM 0 HG23 ILE A 55 27.855 -12.850 -1.893 1.00 0.00 H new ATOM 0 HD11 ILE A 55 30.996 -14.133 0.804 1.00 0.00 H new ATOM 0 HD12 ILE A 55 31.732 -13.012 -0.365 1.00 0.00 H new ATOM 0 HD13 ILE A 55 30.099 -12.693 0.266 1.00 0.00 H new ATOM 870 N GLY A 56 31.680 -14.966 -4.336 1.00 0.00 N ATOM 871 CA GLY A 56 32.822 -15.834 -4.611 1.00 0.00 C ATOM 872 C GLY A 56 33.921 -15.614 -3.593 1.00 0.00 C ATOM 873 O GLY A 56 33.647 -15.382 -2.406 1.00 0.00 O ATOM 0 H GLY A 56 31.878 -13.972 -4.454 1.00 0.00 H new ATOM 0 HA2 GLY A 56 32.505 -16.877 -4.591 1.00 0.00 H new ATOM 0 HA3 GLY A 56 33.203 -15.635 -5.613 1.00 0.00 H new ATOM 877 N GLU A 57 35.168 -15.679 -4.069 1.00 0.00 N ATOM 878 CA GLU A 57 36.355 -15.387 -3.264 1.00 0.00 C ATOM 879 C GLU A 57 36.558 -13.870 -3.210 1.00 0.00 C ATOM 880 O GLU A 57 36.075 -13.137 -4.085 1.00 0.00 O ATOM 881 CB GLU A 57 37.628 -16.076 -3.842 1.00 0.00 C ATOM 882 CG GLU A 57 37.550 -17.618 -3.973 1.00 0.00 C ATOM 883 CD GLU A 57 36.725 -18.101 -5.181 1.00 0.00 C ATOM 884 OE1 GLU A 57 37.273 -18.158 -6.301 1.00 0.00 O ATOM 885 OE2 GLU A 57 35.522 -18.402 -5.030 1.00 0.00 O ATOM 0 H GLU A 57 35.382 -15.938 -5.032 1.00 0.00 H new ATOM 0 HA GLU A 57 36.198 -15.782 -2.260 1.00 0.00 H new ATOM 0 HB2 GLU A 57 37.833 -15.655 -4.826 1.00 0.00 H new ATOM 0 HB3 GLU A 57 38.477 -15.825 -3.205 1.00 0.00 H new ATOM 0 HG2 GLU A 57 38.561 -18.018 -4.053 1.00 0.00 H new ATOM 0 HG3 GLU A 57 37.116 -18.029 -3.061 1.00 0.00 H new ATOM 892 N PHE A 58 37.267 -13.424 -2.176 1.00 0.00 N ATOM 893 CA PHE A 58 37.579 -12.007 -1.947 1.00 0.00 C ATOM 894 C PHE A 58 38.657 -11.897 -0.863 1.00 0.00 C ATOM 895 O PHE A 58 39.006 -12.894 -0.209 1.00 0.00 O ATOM 896 CB PHE A 58 36.302 -11.199 -1.556 1.00 0.00 C ATOM 897 CG PHE A 58 35.643 -11.646 -0.251 1.00 0.00 C ATOM 898 CD1 PHE A 58 34.907 -12.831 -0.191 1.00 0.00 C ATOM 899 CD2 PHE A 58 35.771 -10.892 0.914 1.00 0.00 C ATOM 900 CE1 PHE A 58 34.330 -13.247 0.985 1.00 0.00 C ATOM 901 CE2 PHE A 58 35.187 -11.309 2.088 1.00 0.00 C ATOM 902 CZ PHE A 58 34.470 -12.485 2.121 1.00 0.00 C ATOM 0 H PHE A 58 37.649 -14.042 -1.460 1.00 0.00 H new ATOM 0 HA PHE A 58 37.957 -11.574 -2.873 1.00 0.00 H new ATOM 0 HB2 PHE A 58 36.566 -10.145 -1.472 1.00 0.00 H new ATOM 0 HB3 PHE A 58 35.574 -11.282 -2.363 1.00 0.00 H new ATOM 0 HD1 PHE A 58 34.789 -13.430 -1.082 1.00 0.00 H new ATOM 0 HD2 PHE A 58 36.334 -9.971 0.895 1.00 0.00 H new ATOM 0 HE1 PHE A 58 33.769 -14.169 1.017 1.00 0.00 H new ATOM 0 HE2 PHE A 58 35.291 -10.714 2.984 1.00 0.00 H new ATOM 0 HZ PHE A 58 34.015 -12.810 3.045 1.00 0.00 H new ATOM 912 N ASP A 59 39.183 -10.681 -0.683 1.00 0.00 N ATOM 913 CA ASP A 59 40.204 -10.390 0.336 1.00 0.00 C ATOM 914 C ASP A 59 39.511 -10.199 1.691 1.00 0.00 C ATOM 915 O ASP A 59 39.021 -9.118 1.994 1.00 0.00 O ATOM 916 CB ASP A 59 41.028 -9.141 -0.069 1.00 0.00 C ATOM 917 CG ASP A 59 41.621 -9.263 -1.485 1.00 0.00 C ATOM 918 OD1 ASP A 59 42.703 -9.866 -1.642 1.00 0.00 O ATOM 919 OD2 ASP A 59 40.985 -8.786 -2.454 1.00 0.00 O ATOM 0 H ASP A 59 38.915 -9.869 -1.238 1.00 0.00 H new ATOM 0 HA ASP A 59 40.902 -11.223 0.416 1.00 0.00 H new ATOM 0 HB2 ASP A 59 40.392 -8.257 -0.019 1.00 0.00 H new ATOM 0 HB3 ASP A 59 41.835 -8.993 0.649 1.00 0.00 H new ATOM 924 N GLU A 60 39.427 -11.295 2.461 1.00 0.00 N ATOM 925 CA GLU A 60 38.653 -11.367 3.714 1.00 0.00 C ATOM 926 C GLU A 60 39.294 -10.558 4.857 1.00 0.00 C ATOM 927 O GLU A 60 38.587 -9.905 5.628 1.00 0.00 O ATOM 928 CB GLU A 60 38.456 -12.845 4.120 1.00 0.00 C ATOM 929 CG GLU A 60 37.799 -13.686 3.008 1.00 0.00 C ATOM 930 CD GLU A 60 37.487 -15.130 3.408 1.00 0.00 C ATOM 931 OE1 GLU A 60 36.390 -15.393 3.949 1.00 0.00 O ATOM 932 OE2 GLU A 60 38.325 -16.021 3.153 1.00 0.00 O ATOM 0 H GLU A 60 39.900 -12.168 2.229 1.00 0.00 H new ATOM 0 HA GLU A 60 37.681 -10.910 3.529 1.00 0.00 H new ATOM 0 HB2 GLU A 60 39.423 -13.279 4.375 1.00 0.00 H new ATOM 0 HB3 GLU A 60 37.839 -12.892 5.017 1.00 0.00 H new ATOM 0 HG2 GLU A 60 36.874 -13.199 2.700 1.00 0.00 H new ATOM 0 HG3 GLU A 60 38.458 -13.697 2.140 1.00 0.00 H new ATOM 939 N GLU A 61 40.631 -10.608 4.960 1.00 0.00 N ATOM 940 CA GLU A 61 41.380 -9.825 5.964 1.00 0.00 C ATOM 941 C GLU A 61 41.240 -8.323 5.687 1.00 0.00 C ATOM 942 O GLU A 61 41.111 -7.512 6.615 1.00 0.00 O ATOM 943 CB GLU A 61 42.878 -10.233 5.997 1.00 0.00 C ATOM 944 CG GLU A 61 43.133 -11.727 6.275 1.00 0.00 C ATOM 945 CD GLU A 61 42.362 -12.277 7.492 1.00 0.00 C ATOM 946 OE1 GLU A 61 42.518 -11.733 8.608 1.00 0.00 O ATOM 947 OE2 GLU A 61 41.585 -13.246 7.333 1.00 0.00 O ATOM 0 H GLU A 61 41.221 -11.184 4.359 1.00 0.00 H new ATOM 0 HA GLU A 61 40.953 -10.043 6.943 1.00 0.00 H new ATOM 0 HB2 GLU A 61 43.332 -9.973 5.041 1.00 0.00 H new ATOM 0 HB3 GLU A 61 43.384 -9.644 6.762 1.00 0.00 H new ATOM 0 HG2 GLU A 61 42.857 -12.303 5.392 1.00 0.00 H new ATOM 0 HG3 GLU A 61 44.200 -11.880 6.434 1.00 0.00 H new ATOM 954 N GLU A 62 41.241 -7.967 4.397 1.00 0.00 N ATOM 955 CA GLU A 62 41.023 -6.584 3.977 1.00 0.00 C ATOM 956 C GLU A 62 39.544 -6.179 4.186 1.00 0.00 C ATOM 957 O GLU A 62 39.264 -5.072 4.638 1.00 0.00 O ATOM 958 CB GLU A 62 41.484 -6.354 2.522 1.00 0.00 C ATOM 959 CG GLU A 62 42.978 -6.666 2.292 1.00 0.00 C ATOM 960 CD GLU A 62 43.538 -6.053 1.000 1.00 0.00 C ATOM 961 OE1 GLU A 62 43.277 -6.585 -0.095 1.00 0.00 O ATOM 962 OE2 GLU A 62 44.247 -5.026 1.078 1.00 0.00 O ATOM 0 H GLU A 62 41.391 -8.620 3.628 1.00 0.00 H new ATOM 0 HA GLU A 62 41.636 -5.938 4.605 1.00 0.00 H new ATOM 0 HB2 GLU A 62 40.885 -6.976 1.857 1.00 0.00 H new ATOM 0 HB3 GLU A 62 41.291 -5.317 2.248 1.00 0.00 H new ATOM 0 HG2 GLU A 62 43.554 -6.295 3.140 1.00 0.00 H new ATOM 0 HG3 GLU A 62 43.115 -7.747 2.262 1.00 0.00 H new ATOM 969 N ALA A 63 38.619 -7.122 3.929 1.00 0.00 N ATOM 970 CA ALA A 63 37.162 -6.881 4.013 1.00 0.00 C ATOM 971 C ALA A 63 36.720 -6.621 5.465 1.00 0.00 C ATOM 972 O ALA A 63 35.793 -5.833 5.700 1.00 0.00 O ATOM 973 CB ALA A 63 36.377 -8.060 3.415 1.00 0.00 C ATOM 0 H ALA A 63 38.859 -8.075 3.657 1.00 0.00 H new ATOM 0 HA ALA A 63 36.942 -5.987 3.429 1.00 0.00 H new ATOM 0 HB1 ALA A 63 35.308 -7.860 3.488 1.00 0.00 H new ATOM 0 HB2 ALA A 63 36.652 -8.186 2.368 1.00 0.00 H new ATOM 0 HB3 ALA A 63 36.614 -8.971 3.965 1.00 0.00 H new ATOM 979 N ARG A 64 37.381 -7.293 6.440 1.00 0.00 N ATOM 980 CA ARG A 64 37.088 -7.076 7.871 1.00 0.00 C ATOM 981 C ARG A 64 37.658 -5.742 8.355 1.00 0.00 C ATOM 982 O ARG A 64 36.966 -5.018 9.038 1.00 0.00 O ATOM 983 CB ARG A 64 37.570 -8.230 8.801 1.00 0.00 C ATOM 984 CG ARG A 64 39.077 -8.562 8.766 1.00 0.00 C ATOM 985 CD ARG A 64 39.535 -9.426 9.963 1.00 0.00 C ATOM 986 NE ARG A 64 38.572 -10.502 10.283 1.00 0.00 N ATOM 987 CZ ARG A 64 38.552 -11.726 9.747 1.00 0.00 C ATOM 988 NH1 ARG A 64 39.459 -12.097 8.860 1.00 0.00 N ATOM 989 NH2 ARG A 64 37.611 -12.581 10.114 1.00 0.00 N ATOM 0 H ARG A 64 38.112 -7.981 6.260 1.00 0.00 H new ATOM 0 HA ARG A 64 36.000 -7.057 7.940 1.00 0.00 H new ATOM 0 HB2 ARG A 64 37.301 -7.976 9.826 1.00 0.00 H new ATOM 0 HB3 ARG A 64 37.016 -9.132 8.540 1.00 0.00 H new ATOM 0 HG2 ARG A 64 39.306 -9.086 7.838 1.00 0.00 H new ATOM 0 HG3 ARG A 64 39.648 -7.633 8.756 1.00 0.00 H new ATOM 0 HD2 ARG A 64 40.507 -9.866 9.739 1.00 0.00 H new ATOM 0 HD3 ARG A 64 39.668 -8.789 10.838 1.00 0.00 H new ATOM 0 HE ARG A 64 37.856 -10.290 10.978 1.00 0.00 H new ATOM 0 HH11 ARG A 64 40.190 -11.445 8.574 1.00 0.00 H new ATOM 0 HH12 ARG A 64 39.428 -13.035 8.461 1.00 0.00 H new ATOM 0 HH21 ARG A 64 36.909 -12.303 10.800 1.00 0.00 H new ATOM 0 HH22 ARG A 64 37.587 -13.518 9.711 1.00 0.00 H new ATOM 1003 N GLU A 65 38.916 -5.412 7.987 1.00 0.00 N ATOM 1004 CA GLU A 65 39.578 -4.178 8.485 1.00 0.00 C ATOM 1005 C GLU A 65 38.878 -2.906 7.960 1.00 0.00 C ATOM 1006 O GLU A 65 38.743 -1.916 8.694 1.00 0.00 O ATOM 1007 CB GLU A 65 41.093 -4.141 8.153 1.00 0.00 C ATOM 1008 CG GLU A 65 41.436 -4.231 6.666 1.00 0.00 C ATOM 1009 CD GLU A 65 42.943 -4.195 6.361 1.00 0.00 C ATOM 1010 OE1 GLU A 65 43.653 -5.167 6.691 1.00 0.00 O ATOM 1011 OE2 GLU A 65 43.423 -3.194 5.780 1.00 0.00 O ATOM 0 H GLU A 65 39.489 -5.972 7.356 1.00 0.00 H new ATOM 0 HA GLU A 65 39.483 -4.199 9.571 1.00 0.00 H new ATOM 0 HB2 GLU A 65 41.513 -3.218 8.551 1.00 0.00 H new ATOM 0 HB3 GLU A 65 41.583 -4.964 8.673 1.00 0.00 H new ATOM 0 HG2 GLU A 65 41.018 -5.154 6.264 1.00 0.00 H new ATOM 0 HG3 GLU A 65 40.951 -3.407 6.143 1.00 0.00 H new ATOM 1018 N LEU A 66 38.415 -2.947 6.693 1.00 0.00 N ATOM 1019 CA LEU A 66 37.658 -1.834 6.090 1.00 0.00 C ATOM 1020 C LEU A 66 36.173 -1.899 6.516 1.00 0.00 C ATOM 1021 O LEU A 66 35.459 -0.891 6.460 1.00 0.00 O ATOM 1022 CB LEU A 66 37.877 -1.789 4.543 1.00 0.00 C ATOM 1023 CG LEU A 66 37.271 -2.934 3.651 1.00 0.00 C ATOM 1024 CD1 LEU A 66 35.799 -2.689 3.300 1.00 0.00 C ATOM 1025 CD2 LEU A 66 38.101 -3.156 2.362 1.00 0.00 C ATOM 0 H LEU A 66 38.553 -3.741 6.068 1.00 0.00 H new ATOM 0 HA LEU A 66 38.038 -0.885 6.468 1.00 0.00 H new ATOM 0 HB2 LEU A 66 37.474 -0.843 4.182 1.00 0.00 H new ATOM 0 HB3 LEU A 66 38.952 -1.767 4.364 1.00 0.00 H new ATOM 0 HG LEU A 66 37.319 -3.841 4.253 1.00 0.00 H new ATOM 0 HD11 LEU A 66 35.431 -3.509 2.683 1.00 0.00 H new ATOM 0 HD12 LEU A 66 35.211 -2.631 4.216 1.00 0.00 H new ATOM 0 HD13 LEU A 66 35.707 -1.752 2.750 1.00 0.00 H new ATOM 0 HD21 LEU A 66 37.651 -3.955 1.772 1.00 0.00 H new ATOM 0 HD22 LEU A 66 38.116 -2.237 1.776 1.00 0.00 H new ATOM 0 HD23 LEU A 66 39.121 -3.433 2.629 1.00 0.00 H new ATOM 1037 N GLY A 67 35.733 -3.104 6.940 1.00 0.00 N ATOM 1038 CA GLY A 67 34.424 -3.298 7.574 1.00 0.00 C ATOM 1039 C GLY A 67 34.369 -2.687 8.978 1.00 0.00 C ATOM 1040 O GLY A 67 33.321 -2.210 9.422 1.00 0.00 O ATOM 0 H GLY A 67 36.277 -3.962 6.850 1.00 0.00 H new ATOM 0 HA2 GLY A 67 33.650 -2.848 6.952 1.00 0.00 H new ATOM 0 HA3 GLY A 67 34.205 -4.364 7.634 1.00 0.00 H new ATOM 1044 N ARG A 68 35.518 -2.731 9.680 1.00 0.00 N ATOM 1045 CA ARG A 68 35.708 -2.112 11.009 1.00 0.00 C ATOM 1046 C ARG A 68 35.901 -0.590 10.855 1.00 0.00 C ATOM 1047 O ARG A 68 35.530 0.193 11.741 1.00 0.00 O ATOM 1048 CB ARG A 68 36.905 -2.766 11.754 1.00 0.00 C ATOM 1049 CG ARG A 68 36.734 -4.284 12.033 1.00 0.00 C ATOM 1050 CD ARG A 68 37.950 -4.909 12.744 1.00 0.00 C ATOM 1051 NE ARG A 68 38.067 -4.431 14.131 1.00 0.00 N ATOM 1052 CZ ARG A 68 39.199 -4.088 14.758 1.00 0.00 C ATOM 1053 NH1 ARG A 68 40.366 -4.101 14.132 1.00 0.00 N ATOM 1054 NH2 ARG A 68 39.144 -3.725 16.022 1.00 0.00 N ATOM 0 H ARG A 68 36.353 -3.204 9.336 1.00 0.00 H new ATOM 0 HA ARG A 68 34.817 -2.284 11.613 1.00 0.00 H new ATOM 0 HB2 ARG A 68 37.810 -2.617 11.164 1.00 0.00 H new ATOM 0 HB3 ARG A 68 37.054 -2.249 12.702 1.00 0.00 H new ATOM 0 HG2 ARG A 68 35.845 -4.437 12.645 1.00 0.00 H new ATOM 0 HG3 ARG A 68 36.565 -4.804 11.090 1.00 0.00 H new ATOM 0 HD2 ARG A 68 37.858 -5.995 12.739 1.00 0.00 H new ATOM 0 HD3 ARG A 68 38.859 -4.664 12.195 1.00 0.00 H new ATOM 0 HE ARG A 68 37.202 -4.354 14.666 1.00 0.00 H new ATOM 0 HH11 ARG A 68 40.416 -4.376 13.151 1.00 0.00 H new ATOM 0 HH12 ARG A 68 41.215 -3.835 14.631 1.00 0.00 H new ATOM 0 HH21 ARG A 68 38.248 -3.708 16.509 1.00 0.00 H new ATOM 0 HH22 ARG A 68 39.997 -3.461 16.514 1.00 0.00 H new ATOM 1068 N LYS A 69 36.486 -0.182 9.716 1.00 0.00 N ATOM 1069 CA LYS A 69 36.570 1.236 9.315 1.00 0.00 C ATOM 1070 C LYS A 69 35.154 1.799 9.098 1.00 0.00 C ATOM 1071 O LYS A 69 34.865 2.932 9.490 1.00 0.00 O ATOM 1072 CB LYS A 69 37.430 1.381 8.034 1.00 0.00 C ATOM 1073 CG LYS A 69 37.503 2.807 7.441 1.00 0.00 C ATOM 1074 CD LYS A 69 38.479 2.920 6.239 1.00 0.00 C ATOM 1075 CE LYS A 69 38.188 1.902 5.121 1.00 0.00 C ATOM 1076 NZ LYS A 69 36.798 2.000 4.597 1.00 0.00 N ATOM 0 H LYS A 69 36.914 -0.823 9.048 1.00 0.00 H new ATOM 0 HA LYS A 69 37.051 1.808 10.109 1.00 0.00 H new ATOM 0 HB2 LYS A 69 38.443 1.047 8.257 1.00 0.00 H new ATOM 0 HB3 LYS A 69 37.033 0.709 7.273 1.00 0.00 H new ATOM 0 HG2 LYS A 69 36.507 3.112 7.122 1.00 0.00 H new ATOM 0 HG3 LYS A 69 37.815 3.502 8.220 1.00 0.00 H new ATOM 0 HD2 LYS A 69 38.422 3.928 5.827 1.00 0.00 H new ATOM 0 HD3 LYS A 69 39.500 2.778 6.594 1.00 0.00 H new ATOM 0 HE2 LYS A 69 38.891 2.057 4.303 1.00 0.00 H new ATOM 0 HE3 LYS A 69 38.358 0.894 5.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 36.405 1.045 4.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 36.210 2.531 5.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 36.806 2.492 3.681 1.00 0.00 H new ATOM 1090 N TRP A 70 34.269 0.971 8.494 1.00 0.00 N ATOM 1091 CA TRP A 70 32.828 1.283 8.372 1.00 0.00 C ATOM 1092 C TRP A 70 32.205 1.446 9.774 1.00 0.00 C ATOM 1093 O TRP A 70 31.466 2.399 10.027 1.00 0.00 O ATOM 1094 CB TRP A 70 32.080 0.189 7.561 1.00 0.00 C ATOM 1095 CG TRP A 70 30.567 0.347 7.543 1.00 0.00 C ATOM 1096 CD1 TRP A 70 29.831 1.147 6.719 1.00 0.00 C ATOM 1097 CD2 TRP A 70 29.615 -0.315 8.397 1.00 0.00 C ATOM 1098 NE1 TRP A 70 28.496 1.010 6.993 1.00 0.00 N ATOM 1099 CE2 TRP A 70 28.339 0.128 8.023 1.00 0.00 C ATOM 1100 CE3 TRP A 70 29.723 -1.242 9.434 1.00 0.00 C ATOM 1101 CZ2 TRP A 70 27.180 -0.317 8.646 1.00 0.00 C ATOM 1102 CZ3 TRP A 70 28.572 -1.685 10.052 1.00 0.00 C ATOM 1103 CH2 TRP A 70 27.313 -1.218 9.661 1.00 0.00 C ATOM 0 H TRP A 70 34.532 0.076 8.081 1.00 0.00 H new ATOM 0 HA TRP A 70 32.725 2.222 7.828 1.00 0.00 H new ATOM 0 HB2 TRP A 70 32.447 0.200 6.535 1.00 0.00 H new ATOM 0 HB3 TRP A 70 32.327 -0.788 7.977 1.00 0.00 H new ATOM 0 HD1 TRP A 70 30.242 1.795 5.959 1.00 0.00 H new ATOM 0 HE1 TRP A 70 27.740 1.490 6.505 1.00 0.00 H new ATOM 0 HE3 TRP A 70 30.690 -1.606 9.747 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 26.208 0.038 8.337 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 28.644 -2.406 10.853 1.00 0.00 H new ATOM 0 HH2 TRP A 70 26.431 -1.577 10.171 1.00 0.00 H new ATOM 1114 N LEU A 71 32.542 0.507 10.679 1.00 0.00 N ATOM 1115 CA LEU A 71 32.092 0.524 12.092 1.00 0.00 C ATOM 1116 C LEU A 71 32.521 1.809 12.834 1.00 0.00 C ATOM 1117 O LEU A 71 31.905 2.175 13.836 1.00 0.00 O ATOM 1118 CB LEU A 71 32.617 -0.737 12.841 1.00 0.00 C ATOM 1119 CG LEU A 71 31.875 -2.078 12.528 1.00 0.00 C ATOM 1120 CD1 LEU A 71 32.661 -3.305 13.051 1.00 0.00 C ATOM 1121 CD2 LEU A 71 30.439 -2.053 13.101 1.00 0.00 C ATOM 0 H LEU A 71 33.137 -0.290 10.453 1.00 0.00 H new ATOM 0 HA LEU A 71 31.002 0.511 12.082 1.00 0.00 H new ATOM 0 HB2 LEU A 71 33.673 -0.864 12.601 1.00 0.00 H new ATOM 0 HB3 LEU A 71 32.554 -0.551 13.913 1.00 0.00 H new ATOM 0 HG LEU A 71 31.811 -2.175 11.444 1.00 0.00 H new ATOM 0 HD11 LEU A 71 32.112 -4.217 12.814 1.00 0.00 H new ATOM 0 HD12 LEU A 71 33.642 -3.338 12.577 1.00 0.00 H new ATOM 0 HD13 LEU A 71 32.783 -3.226 14.131 1.00 0.00 H new ATOM 0 HD21 LEU A 71 29.940 -2.995 12.873 1.00 0.00 H new ATOM 0 HD22 LEU A 71 30.481 -1.917 14.182 1.00 0.00 H new ATOM 0 HD23 LEU A 71 29.883 -1.230 12.653 1.00 0.00 H new ATOM 1133 N GLU A 72 33.579 2.472 12.350 1.00 0.00 N ATOM 1134 CA GLU A 72 34.023 3.770 12.893 1.00 0.00 C ATOM 1135 C GLU A 72 33.210 4.936 12.265 1.00 0.00 C ATOM 1136 O GLU A 72 32.598 5.737 12.979 1.00 0.00 O ATOM 1137 CB GLU A 72 35.542 3.952 12.631 1.00 0.00 C ATOM 1138 CG GLU A 72 36.195 5.135 13.385 1.00 0.00 C ATOM 1139 CD GLU A 72 37.666 5.381 12.987 1.00 0.00 C ATOM 1140 OE1 GLU A 72 38.506 4.487 13.197 1.00 0.00 O ATOM 1141 OE2 GLU A 72 37.995 6.473 12.480 1.00 0.00 O ATOM 0 H GLU A 72 34.150 2.130 11.577 1.00 0.00 H new ATOM 0 HA GLU A 72 33.846 3.784 13.969 1.00 0.00 H new ATOM 0 HB2 GLU A 72 36.057 3.033 12.911 1.00 0.00 H new ATOM 0 HB3 GLU A 72 35.697 4.092 11.561 1.00 0.00 H new ATOM 0 HG2 GLU A 72 35.619 6.040 13.194 1.00 0.00 H new ATOM 0 HG3 GLU A 72 36.144 4.945 14.457 1.00 0.00 H new