USER MOD reduce.3.24.130724 H: found=0, std=0, add=380, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 380 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot 180:sc= -3.64 USER MOD Single : A 19 SER OG : rot -7:sc= 0.17! USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000763) USER MOD Single : A 26 LYS NZ :NH3+ 142:sc= -0.0903 (180deg=-1.99!) USER MOD Single : A 29 HIS : no HD1:sc= -0.0383 X(o=-0.038,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -119:sc= 0.988 (180deg=-2.92!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl -163:sc= -0.0464 (180deg=-0.66) USER MOD Single : A 46 ASN : amide:sc= -0.618 K(o=-0.62,f=-2.8) USER MOD Single : A 47 ASN : amide:sc= -1.89 X(o=-1.9,f=-1.7) USER MOD Single : A 48 THR OG1 : rot 70:sc= 0.283 USER MOD Single : A 53 LYS NZ :NH3+ 155:sc= 1.33 (180deg=1.14) USER MOD Single : A 54 GLN :FLIP amide:sc= 0.418 F(o=-0.6,f=0.42) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -144:sc= -2.72! (180deg=-4.58!) USER MOD ----------------------------------------------------------------- ATOM 183 N SER A 12 5.438 7.517 3.867 1.00 0.00 N ATOM 184 CA SER A 12 5.583 6.148 4.426 1.00 0.00 C ATOM 185 C SER A 12 5.993 5.188 3.318 1.00 0.00 C ATOM 186 O SER A 12 5.481 5.258 2.220 1.00 0.00 O ATOM 187 CB SER A 12 4.225 5.700 4.997 1.00 0.00 C ATOM 188 OG SER A 12 4.553 4.623 5.864 1.00 0.00 O ATOM 0 HA SER A 12 6.341 6.148 5.209 1.00 0.00 H new ATOM 0 HB2 SER A 12 3.732 6.510 5.535 1.00 0.00 H new ATOM 0 HB3 SER A 12 3.545 5.383 4.206 1.00 0.00 H new ATOM 0 HG SER A 12 3.735 4.275 6.277 1.00 0.00 H new ATOM 194 N ALA A 13 6.919 4.322 3.606 1.00 0.00 N ATOM 195 CA ALA A 13 7.350 3.368 2.561 1.00 0.00 C ATOM 196 C ALA A 13 6.154 2.692 1.939 1.00 0.00 C ATOM 197 O ALA A 13 6.197 2.256 0.805 1.00 0.00 O ATOM 198 CB ALA A 13 8.221 2.283 3.213 1.00 0.00 C ATOM 0 H ALA A 13 7.389 4.236 4.507 1.00 0.00 H new ATOM 0 HA ALA A 13 7.902 3.912 1.794 1.00 0.00 H new ATOM 0 HB1 ALA A 13 8.546 1.572 2.453 1.00 0.00 H new ATOM 0 HB2 ALA A 13 9.094 2.745 3.674 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.642 1.761 3.975 1.00 0.00 H new ATOM 204 N PHE A 14 5.091 2.615 2.700 1.00 0.00 N ATOM 205 CA PHE A 14 3.855 1.966 2.191 1.00 0.00 C ATOM 206 C PHE A 14 2.882 2.999 1.583 1.00 0.00 C ATOM 207 O PHE A 14 1.921 2.648 0.942 1.00 0.00 O ATOM 208 CB PHE A 14 3.234 1.162 3.394 1.00 0.00 C ATOM 209 CG PHE A 14 1.766 1.507 3.684 1.00 0.00 C ATOM 210 CD1 PHE A 14 1.390 2.795 3.963 1.00 0.00 C ATOM 211 CD2 PHE A 14 0.814 0.503 3.717 1.00 0.00 C ATOM 212 CE1 PHE A 14 0.079 3.089 4.272 1.00 0.00 C ATOM 213 CE2 PHE A 14 -0.491 0.794 4.026 1.00 0.00 C ATOM 214 CZ PHE A 14 -0.860 2.088 4.304 1.00 0.00 C ATOM 0 H PHE A 14 5.031 2.975 3.652 1.00 0.00 H new ATOM 0 HA PHE A 14 4.077 1.282 1.372 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.311 0.095 3.183 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.825 1.353 4.289 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.126 3.585 3.941 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.100 -0.515 3.498 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.209 4.107 4.489 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.228 0.005 4.051 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.887 2.317 4.547 1.00 0.00 H new ATOM 224 N PHE A 15 3.119 4.254 1.839 1.00 0.00 N ATOM 225 CA PHE A 15 2.206 5.271 1.260 1.00 0.00 C ATOM 226 C PHE A 15 2.385 5.212 -0.226 1.00 0.00 C ATOM 227 O PHE A 15 1.449 5.296 -0.995 1.00 0.00 O ATOM 228 CB PHE A 15 2.624 6.676 1.747 1.00 0.00 C ATOM 229 CG PHE A 15 1.831 7.737 0.969 1.00 0.00 C ATOM 230 CD1 PHE A 15 0.449 7.770 1.036 1.00 0.00 C ATOM 231 CD2 PHE A 15 2.487 8.670 0.182 1.00 0.00 C ATOM 232 CE1 PHE A 15 -0.261 8.717 0.330 1.00 0.00 C ATOM 233 CE2 PHE A 15 1.772 9.617 -0.523 1.00 0.00 C ATOM 234 CZ PHE A 15 0.400 9.639 -0.449 1.00 0.00 C ATOM 0 H PHE A 15 3.885 4.612 2.409 1.00 0.00 H new ATOM 0 HA PHE A 15 1.174 5.081 1.554 1.00 0.00 H new ATOM 0 HB2 PHE A 15 2.435 6.775 2.816 1.00 0.00 H new ATOM 0 HB3 PHE A 15 3.694 6.822 1.598 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -0.076 7.049 1.645 1.00 0.00 H new ATOM 0 HD2 PHE A 15 3.565 8.656 0.120 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -1.339 8.736 0.388 1.00 0.00 H new ATOM 0 HE2 PHE A 15 2.291 10.341 -1.133 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.159 10.379 -1.002 1.00 0.00 H new ATOM 244 N LEU A 16 3.610 5.060 -0.591 1.00 0.00 N ATOM 245 CA LEU A 16 3.953 4.980 -2.003 1.00 0.00 C ATOM 246 C LEU A 16 3.317 3.726 -2.590 1.00 0.00 C ATOM 247 O LEU A 16 3.057 3.640 -3.775 1.00 0.00 O ATOM 248 CB LEU A 16 5.483 4.849 -2.097 1.00 0.00 C ATOM 249 CG LEU A 16 6.175 5.946 -1.255 1.00 0.00 C ATOM 250 CD1 LEU A 16 7.687 5.655 -1.222 1.00 0.00 C ATOM 251 CD2 LEU A 16 5.917 7.331 -1.881 1.00 0.00 C ATOM 0 H LEU A 16 4.400 4.987 0.050 1.00 0.00 H new ATOM 0 HA LEU A 16 3.601 5.859 -2.543 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.792 3.864 -1.746 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.797 4.929 -3.138 1.00 0.00 H new ATOM 0 HG LEU A 16 5.775 5.946 -0.241 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.192 6.420 -0.632 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.860 4.677 -0.773 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.081 5.662 -2.238 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.408 8.098 -1.282 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.316 7.352 -2.895 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.845 7.524 -1.909 1.00 0.00 H new ATOM 263 N PHE A 17 3.075 2.774 -1.724 1.00 0.00 N ATOM 264 CA PHE A 17 2.459 1.498 -2.156 1.00 0.00 C ATOM 265 C PHE A 17 0.950 1.661 -2.208 1.00 0.00 C ATOM 266 O PHE A 17 0.288 1.104 -3.045 1.00 0.00 O ATOM 267 CB PHE A 17 2.843 0.461 -1.098 1.00 0.00 C ATOM 268 CG PHE A 17 2.073 -0.833 -1.236 1.00 0.00 C ATOM 269 CD1 PHE A 17 0.815 -0.955 -0.666 1.00 0.00 C ATOM 270 CD2 PHE A 17 2.673 -1.945 -1.788 1.00 0.00 C ATOM 271 CE1 PHE A 17 0.180 -2.170 -0.640 1.00 0.00 C ATOM 272 CE2 PHE A 17 2.031 -3.162 -1.761 1.00 0.00 C ATOM 273 CZ PHE A 17 0.785 -3.270 -1.181 1.00 0.00 C ATOM 0 H PHE A 17 3.283 2.834 -0.727 1.00 0.00 H new ATOM 0 HA PHE A 17 2.800 1.194 -3.146 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.910 0.252 -1.171 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.667 0.879 -0.107 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.332 -0.088 -0.240 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.649 -1.861 -2.243 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.799 -2.258 -0.192 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.503 -4.032 -2.194 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.285 -4.227 -1.154 1.00 0.00 H new ATOM 283 N CYS A 18 0.432 2.419 -1.289 1.00 0.00 N ATOM 284 CA CYS A 18 -1.022 2.638 -1.268 1.00 0.00 C ATOM 285 C CYS A 18 -1.528 3.005 -2.661 1.00 0.00 C ATOM 286 O CYS A 18 -2.461 2.417 -3.155 1.00 0.00 O ATOM 287 CB CYS A 18 -1.316 3.810 -0.310 1.00 0.00 C ATOM 288 SG CYS A 18 -3.045 4.307 -0.102 1.00 0.00 S ATOM 0 H CYS A 18 0.958 2.893 -0.555 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.522 1.726 -0.941 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.921 3.549 0.672 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.756 4.678 -0.659 1.00 0.00 H new ATOM 0 HG CYS A 18 -3.114 5.300 0.735 1.00 0.00 H new ATOM 294 N SER A 19 -0.882 3.967 -3.270 1.00 0.00 N ATOM 295 CA SER A 19 -1.302 4.394 -4.629 1.00 0.00 C ATOM 296 C SER A 19 -1.284 3.227 -5.620 1.00 0.00 C ATOM 297 O SER A 19 -1.925 3.280 -6.652 1.00 0.00 O ATOM 298 CB SER A 19 -0.315 5.466 -5.119 1.00 0.00 C ATOM 299 OG SER A 19 -0.660 5.658 -6.482 1.00 0.00 O ATOM 0 H SER A 19 -0.085 4.471 -2.882 1.00 0.00 H new ATOM 0 HA SER A 19 -2.321 4.777 -4.574 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.414 6.390 -4.549 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.718 5.135 -5.012 1.00 0.00 H new ATOM 0 HG SER A 19 -1.327 4.991 -6.748 1.00 0.00 H new ATOM 305 N GLU A 20 -0.545 2.195 -5.294 1.00 0.00 N ATOM 306 CA GLU A 20 -0.472 1.020 -6.204 1.00 0.00 C ATOM 307 C GLU A 20 -1.600 0.013 -5.924 1.00 0.00 C ATOM 308 O GLU A 20 -2.338 -0.354 -6.817 1.00 0.00 O ATOM 309 CB GLU A 20 0.905 0.331 -5.984 1.00 0.00 C ATOM 310 CG GLU A 20 0.965 -0.996 -6.739 1.00 0.00 C ATOM 311 CD GLU A 20 0.562 -0.776 -8.199 1.00 0.00 C ATOM 312 OE1 GLU A 20 -0.634 -0.684 -8.423 1.00 0.00 O ATOM 313 OE2 GLU A 20 1.473 -0.711 -9.009 1.00 0.00 O ATOM 0 H GLU A 20 0.007 2.119 -4.440 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.585 1.359 -7.234 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.706 0.987 -6.326 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.066 0.159 -4.920 1.00 0.00 H new ATOM 0 HG2 GLU A 20 1.972 -1.410 -6.688 1.00 0.00 H new ATOM 0 HG3 GLU A 20 0.298 -1.721 -6.273 1.00 0.00 H new ATOM 320 N TYR A 21 -1.712 -0.414 -4.688 1.00 0.00 N ATOM 321 CA TYR A 21 -2.779 -1.394 -4.328 1.00 0.00 C ATOM 322 C TYR A 21 -4.071 -0.708 -3.889 1.00 0.00 C ATOM 323 O TYR A 21 -4.858 -1.277 -3.157 1.00 0.00 O ATOM 324 CB TYR A 21 -2.245 -2.240 -3.158 1.00 0.00 C ATOM 325 CG TYR A 21 -1.338 -3.334 -3.689 1.00 0.00 C ATOM 326 CD1 TYR A 21 -0.019 -3.066 -3.972 1.00 0.00 C ATOM 327 CD2 TYR A 21 -1.823 -4.606 -3.878 1.00 0.00 C ATOM 328 CE1 TYR A 21 0.813 -4.061 -4.438 1.00 0.00 C ATOM 329 CE2 TYR A 21 -0.995 -5.607 -4.344 1.00 0.00 C ATOM 330 CZ TYR A 21 0.332 -5.341 -4.628 1.00 0.00 C ATOM 331 OH TYR A 21 1.165 -6.340 -5.088 1.00 0.00 O ATOM 0 H TYR A 21 -1.111 -0.125 -3.916 1.00 0.00 H new ATOM 0 HA TYR A 21 -3.013 -1.998 -5.204 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.697 -1.607 -2.460 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -3.076 -2.679 -2.606 1.00 0.00 H new ATOM 0 HD1 TYR A 21 0.368 -2.068 -3.828 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -2.858 -4.824 -3.661 1.00 0.00 H new ATOM 0 HE1 TYR A 21 1.847 -3.838 -4.656 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.386 -6.604 -4.488 1.00 0.00 H new ATOM 0 HH TYR A 21 0.661 -7.177 -5.162 1.00 0.00 H new ATOM 341 N ARG A 22 -4.270 0.485 -4.342 1.00 0.00 N ATOM 342 CA ARG A 22 -5.513 1.220 -3.957 1.00 0.00 C ATOM 343 C ARG A 22 -6.733 0.830 -4.854 1.00 0.00 C ATOM 344 O ARG A 22 -7.796 0.543 -4.339 1.00 0.00 O ATOM 345 CB ARG A 22 -5.244 2.770 -4.058 1.00 0.00 C ATOM 346 CG ARG A 22 -5.252 3.405 -2.645 1.00 0.00 C ATOM 347 CD ARG A 22 -5.038 4.915 -2.772 1.00 0.00 C ATOM 348 NE ARG A 22 -5.435 5.570 -1.493 1.00 0.00 N ATOM 349 CZ ARG A 22 -5.516 6.871 -1.435 1.00 0.00 C ATOM 350 NH1 ARG A 22 -5.238 7.570 -2.502 1.00 0.00 N ATOM 351 NH2 ARG A 22 -5.887 7.428 -0.316 1.00 0.00 N ATOM 0 H ARG A 22 -3.635 0.991 -4.960 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.767 0.943 -2.934 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.283 2.950 -4.540 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -6.006 3.239 -4.680 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.199 3.200 -2.146 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -4.467 2.965 -2.031 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -3.993 5.130 -2.997 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -5.629 5.311 -3.597 1.00 0.00 H new ATOM 0 HE ARG A 22 -5.642 5.005 -0.669 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -4.963 7.098 -3.363 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -5.296 8.588 -2.474 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -6.108 6.848 0.494 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -5.956 8.444 -0.250 1.00 0.00 H new ATOM 365 N PRO A 23 -6.558 0.824 -6.184 1.00 0.00 N ATOM 366 CA PRO A 23 -7.662 0.472 -7.090 1.00 0.00 C ATOM 367 C PRO A 23 -8.035 -1.015 -6.999 1.00 0.00 C ATOM 368 O PRO A 23 -9.183 -1.367 -7.126 1.00 0.00 O ATOM 369 CB PRO A 23 -7.129 0.802 -8.520 1.00 0.00 C ATOM 370 CG PRO A 23 -5.606 1.127 -8.375 1.00 0.00 C ATOM 371 CD PRO A 23 -5.289 1.170 -6.854 1.00 0.00 C ATOM 0 HA PRO A 23 -8.567 1.023 -6.834 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -7.281 -0.042 -9.193 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -7.666 1.650 -8.946 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -5.002 0.369 -8.873 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -5.370 2.082 -8.845 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -4.502 0.462 -6.596 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -4.941 2.158 -6.552 1.00 0.00 H new ATOM 379 N LYS A 24 -7.062 -1.853 -6.789 1.00 0.00 N ATOM 380 CA LYS A 24 -7.373 -3.291 -6.695 1.00 0.00 C ATOM 381 C LYS A 24 -8.452 -3.527 -5.661 1.00 0.00 C ATOM 382 O LYS A 24 -9.378 -4.278 -5.886 1.00 0.00 O ATOM 383 CB LYS A 24 -6.095 -4.038 -6.270 1.00 0.00 C ATOM 384 CG LYS A 24 -4.917 -3.771 -7.264 1.00 0.00 C ATOM 385 CD LYS A 24 -5.368 -3.792 -8.756 1.00 0.00 C ATOM 386 CE LYS A 24 -5.961 -5.170 -9.135 1.00 0.00 C ATOM 387 NZ LYS A 24 -4.880 -6.186 -9.266 1.00 0.00 N ATOM 0 H LYS A 24 -6.079 -1.603 -6.680 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.726 -3.652 -7.661 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.805 -3.723 -5.268 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.297 -5.108 -6.222 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.470 -2.803 -7.038 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.143 -4.523 -7.113 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.111 -3.013 -8.926 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.518 -3.568 -9.400 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.675 -5.486 -8.375 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.509 -5.091 -10.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.294 -7.101 -9.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.204 -5.882 -9.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.386 -6.286 -8.357 1.00 0.00 H new ATOM 401 N ILE A 25 -8.318 -2.882 -4.539 1.00 0.00 N ATOM 402 CA ILE A 25 -9.325 -3.046 -3.467 1.00 0.00 C ATOM 403 C ILE A 25 -10.413 -1.976 -3.603 1.00 0.00 C ATOM 404 O ILE A 25 -11.583 -2.289 -3.685 1.00 0.00 O ATOM 405 CB ILE A 25 -8.613 -2.908 -2.073 1.00 0.00 C ATOM 406 CG1 ILE A 25 -7.238 -2.212 -2.221 1.00 0.00 C ATOM 407 CG2 ILE A 25 -8.390 -4.329 -1.496 1.00 0.00 C ATOM 408 CD1 ILE A 25 -6.776 -1.649 -0.858 1.00 0.00 C ATOM 0 H ILE A 25 -7.550 -2.247 -4.321 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.789 -4.029 -3.548 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.239 -2.308 -1.413 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.502 -2.922 -2.598 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.307 -1.406 -2.951 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -7.896 -4.255 -0.527 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -9.352 -4.828 -1.376 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -7.765 -4.905 -2.179 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -5.808 -1.162 -0.975 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -7.506 -0.924 -0.498 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -6.688 -2.463 -0.139 1.00 0.00 H new ATOM 420 N LYS A 26 -10.007 -0.740 -3.625 1.00 0.00 N ATOM 421 CA LYS A 26 -11.004 0.335 -3.756 1.00 0.00 C ATOM 422 C LYS A 26 -11.846 0.105 -4.996 1.00 0.00 C ATOM 423 O LYS A 26 -12.986 0.523 -5.068 1.00 0.00 O ATOM 424 CB LYS A 26 -10.269 1.687 -3.879 1.00 0.00 C ATOM 425 CG LYS A 26 -11.290 2.845 -3.779 1.00 0.00 C ATOM 426 CD LYS A 26 -11.690 3.074 -2.307 1.00 0.00 C ATOM 427 CE LYS A 26 -12.409 4.419 -2.187 1.00 0.00 C ATOM 428 NZ LYS A 26 -13.571 4.473 -3.117 1.00 0.00 N ATOM 0 H LYS A 26 -9.035 -0.437 -3.558 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.652 0.342 -2.880 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.522 1.779 -3.091 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -9.738 1.738 -4.829 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -10.859 3.757 -4.193 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -12.174 2.613 -4.372 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -12.339 2.269 -1.964 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.805 3.063 -1.671 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -12.749 4.566 -1.162 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -11.717 5.230 -2.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -14.360 4.972 -2.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -13.299 4.979 -3.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -13.867 3.506 -3.359 1.00 0.00 H new ATOM 442 N GLY A 27 -11.270 -0.565 -5.955 1.00 0.00 N ATOM 443 CA GLY A 27 -12.021 -0.835 -7.200 1.00 0.00 C ATOM 444 C GLY A 27 -13.220 -1.699 -6.871 1.00 0.00 C ATOM 445 O GLY A 27 -14.353 -1.323 -7.101 1.00 0.00 O ATOM 0 H GLY A 27 -10.319 -0.932 -5.926 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -12.344 0.101 -7.656 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.381 -1.338 -7.925 1.00 0.00 H new ATOM 449 N GLU A 28 -12.942 -2.848 -6.331 1.00 0.00 N ATOM 450 CA GLU A 28 -14.022 -3.759 -5.971 1.00 0.00 C ATOM 451 C GLU A 28 -14.820 -3.162 -4.827 1.00 0.00 C ATOM 452 O GLU A 28 -15.872 -3.651 -4.471 1.00 0.00 O ATOM 453 CB GLU A 28 -13.388 -5.083 -5.513 1.00 0.00 C ATOM 454 CG GLU A 28 -13.024 -5.916 -6.741 1.00 0.00 C ATOM 455 CD GLU A 28 -14.302 -6.496 -7.355 1.00 0.00 C ATOM 456 OE1 GLU A 28 -14.730 -7.522 -6.851 1.00 0.00 O ATOM 457 OE2 GLU A 28 -14.778 -5.878 -8.293 1.00 0.00 O ATOM 0 H GLU A 28 -12.001 -3.185 -6.128 1.00 0.00 H new ATOM 0 HA GLU A 28 -14.684 -3.925 -6.821 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -12.498 -4.886 -4.915 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -14.083 -5.633 -4.879 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.503 -5.298 -7.473 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -12.344 -6.720 -6.461 1.00 0.00 H new ATOM 464 N HIS A 29 -14.289 -2.097 -4.272 1.00 0.00 N ATOM 465 CA HIS A 29 -14.967 -1.414 -3.141 1.00 0.00 C ATOM 466 C HIS A 29 -15.003 0.102 -3.368 1.00 0.00 C ATOM 467 O HIS A 29 -14.229 0.827 -2.781 1.00 0.00 O ATOM 468 CB HIS A 29 -14.140 -1.676 -1.887 1.00 0.00 C ATOM 469 CG HIS A 29 -14.229 -3.153 -1.504 1.00 0.00 C ATOM 470 ND1 HIS A 29 -15.031 -3.624 -0.674 1.00 0.00 N ATOM 471 CD2 HIS A 29 -13.486 -4.231 -1.950 1.00 0.00 C ATOM 472 CE1 HIS A 29 -14.882 -4.872 -0.540 1.00 0.00 C ATOM 473 NE2 HIS A 29 -13.913 -5.357 -1.318 1.00 0.00 N ATOM 0 H HIS A 29 -13.407 -1.674 -4.562 1.00 0.00 H new ATOM 0 HA HIS A 29 -15.987 -1.787 -3.050 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -13.100 -1.399 -2.062 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -14.501 -1.056 -1.066 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -12.694 -4.186 -2.683 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -15.474 -5.478 0.130 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -13.581 -6.317 -1.413 1.00 0.00 H new ATOM 481 N PRO A 30 -15.891 0.554 -4.246 1.00 0.00 N ATOM 482 CA PRO A 30 -16.008 1.983 -4.534 1.00 0.00 C ATOM 483 C PRO A 30 -16.627 2.734 -3.332 1.00 0.00 C ATOM 484 O PRO A 30 -17.680 3.331 -3.434 1.00 0.00 O ATOM 485 CB PRO A 30 -16.942 2.057 -5.794 1.00 0.00 C ATOM 486 CG PRO A 30 -17.445 0.599 -6.080 1.00 0.00 C ATOM 487 CD PRO A 30 -16.787 -0.326 -5.025 1.00 0.00 C ATOM 0 HA PRO A 30 -15.041 2.453 -4.715 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -17.783 2.726 -5.612 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -16.400 2.453 -6.653 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -18.532 0.547 -6.014 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -17.172 0.288 -7.088 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -17.537 -0.790 -4.385 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -16.230 -1.133 -5.501 1.00 0.00 H new ATOM 495 N GLY A 31 -15.952 2.686 -2.213 1.00 0.00 N ATOM 496 CA GLY A 31 -16.490 3.386 -1.015 1.00 0.00 C ATOM 497 C GLY A 31 -15.760 2.944 0.259 1.00 0.00 C ATOM 498 O GLY A 31 -16.360 2.843 1.310 1.00 0.00 O ATOM 0 H GLY A 31 -15.065 2.200 -2.080 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -16.385 4.463 -1.142 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -17.556 3.179 -0.917 1.00 0.00 H new ATOM 502 N LEU A 32 -14.481 2.691 0.150 1.00 0.00 N ATOM 503 CA LEU A 32 -13.738 2.262 1.365 1.00 0.00 C ATOM 504 C LEU A 32 -13.534 3.432 2.297 1.00 0.00 C ATOM 505 O LEU A 32 -13.560 4.577 1.891 1.00 0.00 O ATOM 506 CB LEU A 32 -12.307 1.770 0.982 1.00 0.00 C ATOM 507 CG LEU A 32 -12.297 0.366 0.358 1.00 0.00 C ATOM 508 CD1 LEU A 32 -10.824 -0.063 0.215 1.00 0.00 C ATOM 509 CD2 LEU A 32 -13.003 -0.641 1.284 1.00 0.00 C ATOM 0 H LEU A 32 -13.932 2.761 -0.707 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.322 1.471 1.835 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.863 2.476 0.280 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.679 1.769 1.873 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.812 0.386 -0.602 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.776 -1.059 -0.226 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.300 0.644 -0.428 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.353 -0.079 1.198 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.986 -1.630 0.826 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.487 -0.677 2.243 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -14.036 -0.330 1.439 1.00 0.00 H new ATOM 521 N SER A 33 -13.335 3.114 3.540 1.00 0.00 N ATOM 522 CA SER A 33 -13.114 4.159 4.538 1.00 0.00 C ATOM 523 C SER A 33 -11.622 4.356 4.653 1.00 0.00 C ATOM 524 O SER A 33 -10.874 3.408 4.543 1.00 0.00 O ATOM 525 CB SER A 33 -13.662 3.684 5.892 1.00 0.00 C ATOM 526 OG SER A 33 -15.054 3.513 5.665 1.00 0.00 O ATOM 0 H SER A 33 -13.318 2.160 3.900 1.00 0.00 H new ATOM 0 HA SER A 33 -13.612 5.086 4.253 1.00 0.00 H new ATOM 0 HB2 SER A 33 -13.193 2.752 6.207 1.00 0.00 H new ATOM 0 HB3 SER A 33 -13.474 4.417 6.677 1.00 0.00 H new ATOM 0 HG SER A 33 -15.485 3.205 6.490 1.00 0.00 H new ATOM 532 N ILE A 34 -11.190 5.556 4.853 1.00 0.00 N ATOM 533 CA ILE A 34 -9.739 5.772 4.967 1.00 0.00 C ATOM 534 C ILE A 34 -9.140 4.771 5.940 1.00 0.00 C ATOM 535 O ILE A 34 -7.995 4.378 5.818 1.00 0.00 O ATOM 536 CB ILE A 34 -9.509 7.189 5.484 1.00 0.00 C ATOM 537 CG1 ILE A 34 -9.967 8.215 4.434 1.00 0.00 C ATOM 538 CG2 ILE A 34 -7.994 7.383 5.724 1.00 0.00 C ATOM 539 CD1 ILE A 34 -11.502 8.214 4.286 1.00 0.00 C ATOM 0 H ILE A 34 -11.772 6.389 4.942 1.00 0.00 H new ATOM 0 HA ILE A 34 -9.264 5.640 3.995 1.00 0.00 H new ATOM 0 HB ILE A 34 -10.074 7.334 6.405 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.627 9.210 4.722 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -9.506 7.986 3.473 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.810 8.392 6.094 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.646 6.658 6.460 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.456 7.237 4.788 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -11.796 8.949 3.537 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -11.837 7.225 3.974 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -11.960 8.467 5.242 1.00 0.00 H new ATOM 551 N GLY A 35 -9.933 4.379 6.885 1.00 0.00 N ATOM 552 CA GLY A 35 -9.449 3.403 7.887 1.00 0.00 C ATOM 553 C GLY A 35 -9.279 2.019 7.244 1.00 0.00 C ATOM 554 O GLY A 35 -8.436 1.264 7.641 1.00 0.00 O ATOM 0 H GLY A 35 -10.896 4.691 7.008 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -8.498 3.738 8.301 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.154 3.342 8.716 1.00 0.00 H new ATOM 558 N ASP A 36 -10.094 1.724 6.255 1.00 0.00 N ATOM 559 CA ASP A 36 -9.988 0.394 5.580 1.00 0.00 C ATOM 560 C ASP A 36 -8.906 0.386 4.522 1.00 0.00 C ATOM 561 O ASP A 36 -8.105 -0.524 4.445 1.00 0.00 O ATOM 562 CB ASP A 36 -11.338 0.101 4.882 1.00 0.00 C ATOM 563 CG ASP A 36 -11.528 -1.414 4.740 1.00 0.00 C ATOM 564 OD1 ASP A 36 -10.991 -1.937 3.779 1.00 0.00 O ATOM 565 OD2 ASP A 36 -12.196 -1.959 5.603 1.00 0.00 O ATOM 0 H ASP A 36 -10.820 2.342 5.891 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.742 -0.355 6.333 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -12.158 0.527 5.460 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -11.361 0.574 3.900 1.00 0.00 H new ATOM 570 N VAL A 37 -8.908 1.400 3.732 1.00 0.00 N ATOM 571 CA VAL A 37 -7.907 1.494 2.664 1.00 0.00 C ATOM 572 C VAL A 37 -6.526 1.275 3.208 1.00 0.00 C ATOM 573 O VAL A 37 -5.866 0.311 2.890 1.00 0.00 O ATOM 574 CB VAL A 37 -7.970 2.925 2.080 1.00 0.00 C ATOM 575 CG1 VAL A 37 -6.906 3.074 0.965 1.00 0.00 C ATOM 576 CG2 VAL A 37 -9.367 3.177 1.519 1.00 0.00 C ATOM 0 H VAL A 37 -9.568 2.177 3.781 1.00 0.00 H new ATOM 0 HA VAL A 37 -8.116 0.737 1.909 1.00 0.00 H new ATOM 0 HB VAL A 37 -7.764 3.656 2.862 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.950 4.082 0.553 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.915 2.895 1.382 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -7.104 2.350 0.175 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.417 4.184 1.106 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.580 2.452 0.734 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -10.103 3.075 2.316 1.00 0.00 H new ATOM 586 N ALA A 38 -6.141 2.156 4.042 1.00 0.00 N ATOM 587 CA ALA A 38 -4.814 2.065 4.644 1.00 0.00 C ATOM 588 C ALA A 38 -4.603 0.778 5.459 1.00 0.00 C ATOM 589 O ALA A 38 -3.503 0.263 5.503 1.00 0.00 O ATOM 590 CB ALA A 38 -4.647 3.286 5.530 1.00 0.00 C ATOM 0 H ALA A 38 -6.699 2.955 4.342 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.066 2.031 3.852 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.665 3.261 6.003 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.736 4.189 4.926 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.420 3.286 6.298 1.00 0.00 H new ATOM 596 N LYS A 39 -5.636 0.271 6.096 1.00 0.00 N ATOM 597 CA LYS A 39 -5.435 -0.975 6.885 1.00 0.00 C ATOM 598 C LYS A 39 -5.207 -2.156 5.950 1.00 0.00 C ATOM 599 O LYS A 39 -4.197 -2.825 6.026 1.00 0.00 O ATOM 600 CB LYS A 39 -6.696 -1.233 7.767 1.00 0.00 C ATOM 601 CG LYS A 39 -6.520 -0.600 9.182 1.00 0.00 C ATOM 602 CD LYS A 39 -5.867 0.808 9.087 1.00 0.00 C ATOM 603 CE LYS A 39 -6.283 1.657 10.301 1.00 0.00 C ATOM 604 NZ LYS A 39 -7.733 1.988 10.244 1.00 0.00 N ATOM 0 H LYS A 39 -6.580 0.657 6.101 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.559 -0.861 7.524 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.577 -0.812 7.282 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.866 -2.305 7.862 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.490 -0.522 9.672 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.902 -1.250 9.801 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.782 0.714 9.052 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.175 1.300 8.164 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.065 1.115 11.221 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.697 2.576 10.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -7.852 3.020 10.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.155 1.555 9.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.207 1.620 11.094 1.00 0.00 H new ATOM 618 N LYS A 40 -6.145 -2.389 5.085 1.00 0.00 N ATOM 619 CA LYS A 40 -5.992 -3.519 4.144 1.00 0.00 C ATOM 620 C LYS A 40 -4.652 -3.403 3.434 1.00 0.00 C ATOM 621 O LYS A 40 -3.961 -4.375 3.230 1.00 0.00 O ATOM 622 CB LYS A 40 -7.138 -3.458 3.103 1.00 0.00 C ATOM 623 CG LYS A 40 -7.429 -4.887 2.570 1.00 0.00 C ATOM 624 CD LYS A 40 -8.448 -5.582 3.485 1.00 0.00 C ATOM 625 CE LYS A 40 -8.621 -7.045 3.048 1.00 0.00 C ATOM 626 NZ LYS A 40 -9.206 -7.853 4.157 1.00 0.00 N ATOM 0 H LYS A 40 -7.005 -1.849 4.990 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.033 -4.465 4.684 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.035 -3.038 3.558 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.861 -2.800 2.279 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.816 -4.834 1.552 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.506 -5.466 2.531 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.110 -5.539 4.521 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.405 -5.063 3.440 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.268 -7.096 2.172 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -7.656 -7.461 2.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -9.317 -8.839 3.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -8.574 -7.819 4.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.135 -7.465 4.416 1.00 0.00 H new ATOM 640 N LEU A 41 -4.323 -2.207 3.051 1.00 0.00 N ATOM 641 CA LEU A 41 -3.041 -2.008 2.363 1.00 0.00 C ATOM 642 C LEU A 41 -1.929 -2.369 3.300 1.00 0.00 C ATOM 643 O LEU A 41 -0.897 -2.868 2.898 1.00 0.00 O ATOM 644 CB LEU A 41 -2.893 -0.518 2.001 1.00 0.00 C ATOM 645 CG LEU A 41 -3.824 -0.159 0.842 1.00 0.00 C ATOM 646 CD1 LEU A 41 -3.935 1.360 0.773 1.00 0.00 C ATOM 647 CD2 LEU A 41 -3.240 -0.692 -0.486 1.00 0.00 C ATOM 0 H LEU A 41 -4.887 -1.368 3.187 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.005 -2.625 1.465 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.126 0.099 2.869 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.860 -0.304 1.726 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.805 -0.607 0.999 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.595 1.640 -0.048 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.342 1.738 1.711 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.947 1.790 0.607 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.908 -0.433 -1.307 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.262 -0.244 -0.659 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.138 -1.776 -0.430 1.00 0.00 H new ATOM 659 N GLY A 42 -2.164 -2.103 4.543 1.00 0.00 N ATOM 660 CA GLY A 42 -1.149 -2.413 5.547 1.00 0.00 C ATOM 661 C GLY A 42 -0.935 -3.922 5.602 1.00 0.00 C ATOM 662 O GLY A 42 0.159 -4.396 5.844 1.00 0.00 O ATOM 0 H GLY A 42 -3.021 -1.682 4.901 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.213 -1.911 5.301 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.463 -2.043 6.523 1.00 0.00 H new ATOM 666 N GLU A 43 -2.001 -4.650 5.373 1.00 0.00 N ATOM 667 CA GLU A 43 -1.908 -6.119 5.400 1.00 0.00 C ATOM 668 C GLU A 43 -1.121 -6.615 4.181 1.00 0.00 C ATOM 669 O GLU A 43 -0.144 -7.326 4.319 1.00 0.00 O ATOM 670 CB GLU A 43 -3.361 -6.689 5.365 1.00 0.00 C ATOM 671 CG GLU A 43 -3.850 -6.946 6.799 1.00 0.00 C ATOM 672 CD GLU A 43 -5.353 -7.242 6.778 1.00 0.00 C ATOM 673 OE1 GLU A 43 -5.694 -8.275 6.225 1.00 0.00 O ATOM 674 OE2 GLU A 43 -6.075 -6.418 7.317 1.00 0.00 O ATOM 0 H GLU A 43 -2.928 -4.277 5.169 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.391 -6.452 6.300 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.026 -5.986 4.864 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.385 -7.615 4.791 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.309 -7.786 7.235 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.648 -6.077 7.425 1.00 0.00 H new ATOM 681 N MET A 44 -1.562 -6.228 3.009 1.00 0.00 N ATOM 682 CA MET A 44 -0.844 -6.670 1.788 1.00 0.00 C ATOM 683 C MET A 44 0.590 -6.198 1.835 1.00 0.00 C ATOM 684 O MET A 44 1.503 -6.933 1.533 1.00 0.00 O ATOM 685 CB MET A 44 -1.551 -6.062 0.549 1.00 0.00 C ATOM 686 CG MET A 44 -2.777 -6.916 0.223 1.00 0.00 C ATOM 687 SD MET A 44 -3.914 -6.307 -1.043 1.00 0.00 S ATOM 688 CE MET A 44 -4.471 -4.817 -0.174 1.00 0.00 C ATOM 0 H MET A 44 -2.376 -5.634 2.852 1.00 0.00 H new ATOM 0 HA MET A 44 -0.854 -7.758 1.728 1.00 0.00 H new ATOM 0 HB2 MET A 44 -1.849 -5.033 0.750 1.00 0.00 H new ATOM 0 HB3 MET A 44 -0.870 -6.037 -0.302 1.00 0.00 H new ATOM 0 HG2 MET A 44 -2.427 -7.901 -0.087 1.00 0.00 H new ATOM 0 HG3 MET A 44 -3.344 -7.054 1.144 1.00 0.00 H new ATOM 0 HE1 MET A 44 -5.389 -4.450 -0.633 1.00 0.00 H new ATOM 0 HE2 MET A 44 -4.658 -5.055 0.873 1.00 0.00 H new ATOM 0 HE3 MET A 44 -3.701 -4.048 -0.239 1.00 0.00 H new ATOM 698 N TRP A 45 0.763 -4.976 2.208 1.00 0.00 N ATOM 699 CA TRP A 45 2.127 -4.434 2.286 1.00 0.00 C ATOM 700 C TRP A 45 2.958 -5.306 3.194 1.00 0.00 C ATOM 701 O TRP A 45 3.940 -5.891 2.790 1.00 0.00 O ATOM 702 CB TRP A 45 2.017 -3.032 2.890 1.00 0.00 C ATOM 703 CG TRP A 45 3.383 -2.506 3.323 1.00 0.00 C ATOM 704 CD1 TRP A 45 3.731 -2.325 4.582 1.00 0.00 C ATOM 705 CD2 TRP A 45 4.303 -2.062 2.512 1.00 0.00 C ATOM 706 NE1 TRP A 45 4.923 -1.731 4.500 1.00 0.00 N ATOM 707 CE2 TRP A 45 5.363 -1.524 3.211 1.00 0.00 C ATOM 708 CE3 TRP A 45 4.301 -2.035 1.142 1.00 0.00 C ATOM 709 CZ2 TRP A 45 6.412 -0.956 2.533 1.00 0.00 C ATOM 710 CZ3 TRP A 45 5.351 -1.468 0.464 1.00 0.00 C ATOM 711 CH2 TRP A 45 6.403 -0.927 1.160 1.00 0.00 C ATOM 0 H TRP A 45 0.017 -4.328 2.463 1.00 0.00 H new ATOM 0 HA TRP A 45 2.595 -4.402 1.302 1.00 0.00 H new ATOM 0 HB2 TRP A 45 1.578 -2.352 2.160 1.00 0.00 H new ATOM 0 HB3 TRP A 45 1.345 -3.055 3.748 1.00 0.00 H new ATOM 0 HD1 TRP A 45 3.180 -2.594 5.471 1.00 0.00 H new ATOM 0 HE1 TRP A 45 5.462 -1.454 5.321 1.00 0.00 H new ATOM 0 HE3 TRP A 45 3.472 -2.460 0.595 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 7.243 -0.533 3.078 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 5.349 -1.448 -0.616 1.00 0.00 H new ATOM 0 HH2 TRP A 45 7.227 -0.477 0.626 1.00 0.00 H new ATOM 722 N ASN A 46 2.540 -5.369 4.413 1.00 0.00 N ATOM 723 CA ASN A 46 3.269 -6.194 5.397 1.00 0.00 C ATOM 724 C ASN A 46 3.582 -7.569 4.804 1.00 0.00 C ATOM 725 O ASN A 46 4.624 -8.142 5.057 1.00 0.00 O ATOM 726 CB ASN A 46 2.352 -6.384 6.626 1.00 0.00 C ATOM 727 CG ASN A 46 2.463 -5.166 7.550 1.00 0.00 C ATOM 728 OD1 ASN A 46 2.384 -4.034 7.116 1.00 0.00 O ATOM 729 ND2 ASN A 46 2.638 -5.356 8.830 1.00 0.00 N ATOM 0 H ASN A 46 1.720 -4.882 4.775 1.00 0.00 H new ATOM 0 HA ASN A 46 4.203 -5.704 5.671 1.00 0.00 H new ATOM 0 HB2 ASN A 46 1.319 -6.514 6.304 1.00 0.00 H new ATOM 0 HB3 ASN A 46 2.634 -7.288 7.165 1.00 0.00 H new ATOM 0 HD21 ASN A 46 2.708 -4.556 9.459 1.00 0.00 H new ATOM 0 HD22 ASN A 46 2.705 -6.304 9.200 1.00 0.00 H new ATOM 736 N ASN A 47 2.660 -8.067 4.020 1.00 0.00 N ATOM 737 CA ASN A 47 2.867 -9.394 3.396 1.00 0.00 C ATOM 738 C ASN A 47 3.882 -9.330 2.253 1.00 0.00 C ATOM 739 O ASN A 47 4.676 -10.233 2.079 1.00 0.00 O ATOM 740 CB ASN A 47 1.520 -9.885 2.831 1.00 0.00 C ATOM 741 CG ASN A 47 0.521 -10.065 3.977 1.00 0.00 C ATOM 742 OD1 ASN A 47 0.874 -10.467 5.067 1.00 0.00 O ATOM 743 ND2 ASN A 47 -0.737 -9.782 3.769 1.00 0.00 N ATOM 0 H ASN A 47 1.778 -7.609 3.790 1.00 0.00 H new ATOM 0 HA ASN A 47 3.252 -10.074 4.156 1.00 0.00 H new ATOM 0 HB2 ASN A 47 1.134 -9.167 2.107 1.00 0.00 H new ATOM 0 HB3 ASN A 47 1.657 -10.828 2.303 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -1.417 -9.899 4.520 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -1.039 -9.444 2.855 1.00 0.00 H new ATOM 750 N THR A 48 3.840 -8.267 1.492 1.00 0.00 N ATOM 751 CA THR A 48 4.801 -8.143 0.361 1.00 0.00 C ATOM 752 C THR A 48 6.219 -8.482 0.815 1.00 0.00 C ATOM 753 O THR A 48 6.737 -7.890 1.741 1.00 0.00 O ATOM 754 CB THR A 48 4.772 -6.698 -0.149 1.00 0.00 C ATOM 755 OG1 THR A 48 3.505 -6.541 -0.754 1.00 0.00 O ATOM 756 CG2 THR A 48 5.770 -6.505 -1.298 1.00 0.00 C ATOM 0 H THR A 48 3.190 -7.489 1.604 1.00 0.00 H new ATOM 0 HA THR A 48 4.513 -8.838 -0.428 1.00 0.00 H new ATOM 0 HB THR A 48 4.992 -6.013 0.670 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.810 -6.544 -0.063 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.732 -5.472 -1.644 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.777 -6.733 -0.948 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.512 -7.172 -2.120 1.00 0.00 H new ATOM 764 N ALA A 49 6.819 -9.431 0.151 1.00 0.00 N ATOM 765 CA ALA A 49 8.198 -9.828 0.521 1.00 0.00 C ATOM 766 C ALA A 49 9.145 -8.631 0.515 1.00 0.00 C ATOM 767 O ALA A 49 9.012 -7.737 -0.296 1.00 0.00 O ATOM 768 CB ALA A 49 8.694 -10.854 -0.510 1.00 0.00 C ATOM 0 H ALA A 49 6.411 -9.945 -0.630 1.00 0.00 H new ATOM 0 HA ALA A 49 8.184 -10.247 1.527 1.00 0.00 H new ATOM 0 HB1 ALA A 49 9.709 -11.162 -0.258 1.00 0.00 H new ATOM 0 HB2 ALA A 49 8.038 -11.725 -0.501 1.00 0.00 H new ATOM 0 HB3 ALA A 49 8.687 -10.404 -1.503 1.00 0.00 H new ATOM 774 N ALA A 50 10.084 -8.632 1.423 1.00 0.00 N ATOM 775 CA ALA A 50 11.037 -7.506 1.476 1.00 0.00 C ATOM 776 C ALA A 50 11.690 -7.303 0.110 1.00 0.00 C ATOM 777 O ALA A 50 11.864 -6.187 -0.340 1.00 0.00 O ATOM 778 CB ALA A 50 12.126 -7.839 2.514 1.00 0.00 C ATOM 0 H ALA A 50 10.225 -9.361 2.122 1.00 0.00 H new ATOM 0 HA ALA A 50 10.510 -6.593 1.753 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.841 -7.018 2.568 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.665 -7.984 3.491 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.644 -8.752 2.218 1.00 0.00 H new ATOM 784 N ASP A 51 12.041 -8.393 -0.522 1.00 0.00 N ATOM 785 CA ASP A 51 12.681 -8.291 -1.852 1.00 0.00 C ATOM 786 C ASP A 51 11.797 -7.502 -2.811 1.00 0.00 C ATOM 787 O ASP A 51 12.275 -6.906 -3.755 1.00 0.00 O ATOM 788 CB ASP A 51 12.875 -9.716 -2.408 1.00 0.00 C ATOM 789 CG ASP A 51 14.060 -10.380 -1.702 1.00 0.00 C ATOM 790 OD1 ASP A 51 13.958 -10.525 -0.496 1.00 0.00 O ATOM 791 OD2 ASP A 51 14.999 -10.703 -2.411 1.00 0.00 O ATOM 0 H ASP A 51 11.910 -9.342 -0.171 1.00 0.00 H new ATOM 0 HA ASP A 51 13.638 -7.778 -1.754 1.00 0.00 H new ATOM 0 HB2 ASP A 51 11.970 -10.304 -2.255 1.00 0.00 H new ATOM 0 HB3 ASP A 51 13.053 -9.678 -3.483 1.00 0.00 H new ATOM 796 N ASP A 52 10.513 -7.516 -2.547 1.00 0.00 N ATOM 797 CA ASP A 52 9.565 -6.774 -3.426 1.00 0.00 C ATOM 798 C ASP A 52 9.365 -5.348 -2.917 1.00 0.00 C ATOM 799 O ASP A 52 8.879 -4.495 -3.632 1.00 0.00 O ATOM 800 CB ASP A 52 8.213 -7.513 -3.402 1.00 0.00 C ATOM 801 CG ASP A 52 8.277 -8.722 -4.340 1.00 0.00 C ATOM 802 OD1 ASP A 52 7.997 -8.515 -5.510 1.00 0.00 O ATOM 803 OD2 ASP A 52 8.600 -9.783 -3.833 1.00 0.00 O ATOM 0 H ASP A 52 10.085 -8.008 -1.763 1.00 0.00 H new ATOM 0 HA ASP A 52 9.967 -6.727 -4.438 1.00 0.00 H new ATOM 0 HB2 ASP A 52 7.982 -7.838 -2.388 1.00 0.00 H new ATOM 0 HB3 ASP A 52 7.413 -6.841 -3.712 1.00 0.00 H new ATOM 808 N LYS A 53 9.733 -5.119 -1.681 1.00 0.00 N ATOM 809 CA LYS A 53 9.573 -3.752 -1.106 1.00 0.00 C ATOM 810 C LYS A 53 10.731 -2.854 -1.530 1.00 0.00 C ATOM 811 O LYS A 53 10.654 -1.648 -1.440 1.00 0.00 O ATOM 812 CB LYS A 53 9.596 -3.853 0.438 1.00 0.00 C ATOM 813 CG LYS A 53 8.256 -4.406 0.958 1.00 0.00 C ATOM 814 CD LYS A 53 8.104 -4.041 2.449 1.00 0.00 C ATOM 815 CE LYS A 53 6.754 -4.565 2.988 1.00 0.00 C ATOM 816 NZ LYS A 53 6.921 -5.932 3.554 1.00 0.00 N ATOM 0 H LYS A 53 10.134 -5.814 -1.051 1.00 0.00 H new ATOM 0 HA LYS A 53 8.632 -3.332 -1.463 1.00 0.00 H new ATOM 0 HB2 LYS A 53 10.412 -4.502 0.755 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.784 -2.870 0.871 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.429 -3.990 0.383 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.221 -5.488 0.830 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.925 -4.471 3.022 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.160 -2.960 2.574 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.374 -3.890 3.755 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.016 -4.583 2.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.180 -6.107 4.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.844 -6.635 2.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.856 -6.010 4.004 1.00 0.00 H new ATOM 830 N GLN A 54 11.773 -3.473 -1.996 1.00 0.00 N ATOM 831 CA GLN A 54 12.964 -2.720 -2.438 1.00 0.00 C ATOM 832 C GLN A 54 12.620 -1.397 -3.193 1.00 0.00 C ATOM 833 O GLN A 54 12.994 -0.343 -2.757 1.00 0.00 O ATOM 834 CB GLN A 54 13.797 -3.665 -3.347 1.00 0.00 C ATOM 835 CG GLN A 54 14.995 -4.237 -2.560 1.00 0.00 C ATOM 836 CD GLN A 54 15.526 -5.486 -3.271 1.00 0.00 C ATOM 837 OE1 GLN A 54 16.810 -5.609 -3.462 1.00 0.00 O flip ATOM 838 NE2 GLN A 54 14.776 -6.359 -3.656 1.00 0.00 N flip ATOM 0 H GLN A 54 11.848 -4.486 -2.089 1.00 0.00 H new ATOM 0 HA GLN A 54 13.526 -2.410 -1.557 1.00 0.00 H new ATOM 0 HB2 GLN A 54 13.169 -4.478 -3.711 1.00 0.00 H new ATOM 0 HB3 GLN A 54 14.153 -3.121 -4.222 1.00 0.00 H new ATOM 0 HG2 GLN A 54 15.783 -3.488 -2.482 1.00 0.00 H new ATOM 0 HG3 GLN A 54 14.690 -4.486 -1.544 1.00 0.00 H new ATOM 0 HE21 GLN A 54 13.771 -6.269 -3.510 1.00 0.00 H new ATOM 0 HE22 GLN A 54 15.151 -7.183 -4.126 1.00 0.00 H new ATOM 847 N PRO A 55 11.900 -1.467 -4.299 1.00 0.00 N ATOM 848 CA PRO A 55 11.562 -0.247 -5.038 1.00 0.00 C ATOM 849 C PRO A 55 10.994 0.849 -4.146 1.00 0.00 C ATOM 850 O PRO A 55 11.354 2.003 -4.269 1.00 0.00 O ATOM 851 CB PRO A 55 10.485 -0.697 -6.073 1.00 0.00 C ATOM 852 CG PRO A 55 10.374 -2.256 -5.983 1.00 0.00 C ATOM 853 CD PRO A 55 11.340 -2.717 -4.860 1.00 0.00 C ATOM 0 HA PRO A 55 12.454 0.183 -5.495 1.00 0.00 H new ATOM 0 HB2 PRO A 55 9.524 -0.230 -5.855 1.00 0.00 H new ATOM 0 HB3 PRO A 55 10.768 -0.390 -7.080 1.00 0.00 H new ATOM 0 HG2 PRO A 55 9.351 -2.557 -5.759 1.00 0.00 H new ATOM 0 HG3 PRO A 55 10.641 -2.717 -6.934 1.00 0.00 H new ATOM 0 HD2 PRO A 55 10.813 -3.291 -4.097 1.00 0.00 H new ATOM 0 HD3 PRO A 55 12.127 -3.359 -5.255 1.00 0.00 H new ATOM 861 N TYR A 56 10.128 0.474 -3.284 1.00 0.00 N ATOM 862 CA TYR A 56 9.524 1.483 -2.382 1.00 0.00 C ATOM 863 C TYR A 56 10.512 1.995 -1.341 1.00 0.00 C ATOM 864 O TYR A 56 10.856 3.160 -1.335 1.00 0.00 O ATOM 865 CB TYR A 56 8.349 0.838 -1.669 1.00 0.00 C ATOM 866 CG TYR A 56 7.286 0.449 -2.695 1.00 0.00 C ATOM 867 CD1 TYR A 56 6.526 1.414 -3.295 1.00 0.00 C ATOM 868 CD2 TYR A 56 7.031 -0.870 -2.971 1.00 0.00 C ATOM 869 CE1 TYR A 56 5.494 1.064 -4.156 1.00 0.00 C ATOM 870 CE2 TYR A 56 6.007 -1.228 -3.828 1.00 0.00 C ATOM 871 CZ TYR A 56 5.233 -0.262 -4.429 1.00 0.00 C ATOM 872 OH TYR A 56 4.214 -0.614 -5.290 1.00 0.00 O ATOM 0 H TYR A 56 9.803 -0.484 -3.154 1.00 0.00 H new ATOM 0 HA TYR A 56 9.212 2.336 -2.985 1.00 0.00 H new ATOM 0 HB2 TYR A 56 8.681 -0.044 -1.121 1.00 0.00 H new ATOM 0 HB3 TYR A 56 7.929 1.529 -0.938 1.00 0.00 H new ATOM 0 HD1 TYR A 56 6.730 2.456 -3.098 1.00 0.00 H new ATOM 0 HD2 TYR A 56 7.637 -1.638 -2.514 1.00 0.00 H new ATOM 0 HE1 TYR A 56 4.892 1.835 -4.614 1.00 0.00 H new ATOM 0 HE2 TYR A 56 5.813 -2.272 -4.027 1.00 0.00 H new ATOM 0 HH TYR A 56 4.173 -1.590 -5.367 1.00 0.00 H new ATOM 882 N GLU A 57 10.949 1.130 -0.476 1.00 0.00 N ATOM 883 CA GLU A 57 11.915 1.584 0.559 1.00 0.00 C ATOM 884 C GLU A 57 13.085 2.271 -0.095 1.00 0.00 C ATOM 885 O GLU A 57 13.570 3.277 0.374 1.00 0.00 O ATOM 886 CB GLU A 57 12.418 0.364 1.329 1.00 0.00 C ATOM 887 CG GLU A 57 13.120 -0.589 0.369 1.00 0.00 C ATOM 888 CD GLU A 57 13.225 -1.978 1.007 1.00 0.00 C ATOM 889 OE1 GLU A 57 12.174 -2.566 1.196 1.00 0.00 O ATOM 890 OE2 GLU A 57 14.350 -2.371 1.266 1.00 0.00 O ATOM 0 H GLU A 57 10.686 0.145 -0.438 1.00 0.00 H new ATOM 0 HA GLU A 57 11.423 2.283 1.235 1.00 0.00 H new ATOM 0 HB2 GLU A 57 13.105 0.675 2.116 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.584 -0.142 1.815 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.567 -0.649 -0.568 1.00 0.00 H new ATOM 0 HG3 GLU A 57 14.114 -0.212 0.129 1.00 0.00 H new ATOM 897 N LYS A 58 13.521 1.700 -1.162 1.00 0.00 N ATOM 898 CA LYS A 58 14.666 2.287 -1.893 1.00 0.00 C ATOM 899 C LYS A 58 14.323 3.704 -2.332 1.00 0.00 C ATOM 900 O LYS A 58 15.133 4.602 -2.226 1.00 0.00 O ATOM 901 CB LYS A 58 14.967 1.407 -3.150 1.00 0.00 C ATOM 902 CG LYS A 58 16.223 1.943 -3.892 1.00 0.00 C ATOM 903 CD LYS A 58 17.487 1.339 -3.262 1.00 0.00 C ATOM 904 CE LYS A 58 18.722 1.930 -3.944 1.00 0.00 C ATOM 905 NZ LYS A 58 19.961 1.294 -3.417 1.00 0.00 N ATOM 0 H LYS A 58 13.136 0.847 -1.567 1.00 0.00 H new ATOM 0 HA LYS A 58 15.541 2.318 -1.244 1.00 0.00 H new ATOM 0 HB2 LYS A 58 15.128 0.372 -2.848 1.00 0.00 H new ATOM 0 HB3 LYS A 58 14.108 1.413 -3.822 1.00 0.00 H new ATOM 0 HG2 LYS A 58 16.172 1.684 -4.950 1.00 0.00 H new ATOM 0 HG3 LYS A 58 16.258 3.031 -3.831 1.00 0.00 H new ATOM 0 HD2 LYS A 58 17.511 1.550 -2.193 1.00 0.00 H new ATOM 0 HD3 LYS A 58 17.480 0.255 -3.372 1.00 0.00 H new ATOM 0 HE2 LYS A 58 18.658 1.778 -5.021 1.00 0.00 H new ATOM 0 HE3 LYS A 58 18.758 3.006 -3.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 20.791 1.706 -3.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 20.028 1.461 -2.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 19.931 0.271 -3.600 1.00 0.00 H new ATOM 919 N LYS A 59 13.126 3.882 -2.814 1.00 0.00 N ATOM 920 CA LYS A 59 12.723 5.227 -3.258 1.00 0.00 C ATOM 921 C LYS A 59 12.784 6.182 -2.102 1.00 0.00 C ATOM 922 O LYS A 59 13.495 7.171 -2.127 1.00 0.00 O ATOM 923 CB LYS A 59 11.267 5.170 -3.764 1.00 0.00 C ATOM 924 CG LYS A 59 10.839 6.575 -4.208 1.00 0.00 C ATOM 925 CD LYS A 59 9.545 6.480 -5.030 1.00 0.00 C ATOM 926 CE LYS A 59 8.878 7.859 -5.091 1.00 0.00 C ATOM 927 NZ LYS A 59 8.195 8.162 -3.804 1.00 0.00 N ATOM 0 H LYS A 59 12.419 3.154 -2.916 1.00 0.00 H new ATOM 0 HA LYS A 59 13.393 5.561 -4.050 1.00 0.00 H new ATOM 0 HB2 LYS A 59 11.184 4.470 -4.596 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.608 4.807 -2.975 1.00 0.00 H new ATOM 0 HG2 LYS A 59 10.683 7.212 -3.337 1.00 0.00 H new ATOM 0 HG3 LYS A 59 11.627 7.036 -4.803 1.00 0.00 H new ATOM 0 HD2 LYS A 59 9.766 6.126 -6.037 1.00 0.00 H new ATOM 0 HD3 LYS A 59 8.867 5.756 -4.579 1.00 0.00 H new ATOM 0 HE2 LYS A 59 9.626 8.623 -5.302 1.00 0.00 H new ATOM 0 HE3 LYS A 59 8.157 7.885 -5.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.320 8.691 -3.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 7.964 7.273 -3.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 8.823 8.734 -3.204 1.00 0.00 H new ATOM 941 N ALA A 60 12.030 5.872 -1.112 1.00 0.00 N ATOM 942 CA ALA A 60 12.005 6.730 0.075 1.00 0.00 C ATOM 943 C ALA A 60 13.397 6.865 0.684 1.00 0.00 C ATOM 944 O ALA A 60 13.736 7.897 1.221 1.00 0.00 O ATOM 945 CB ALA A 60 11.069 6.092 1.114 1.00 0.00 C ATOM 0 H ALA A 60 11.423 5.053 -1.072 1.00 0.00 H new ATOM 0 HA ALA A 60 11.656 7.722 -0.213 1.00 0.00 H new ATOM 0 HB1 ALA A 60 11.037 6.717 2.007 1.00 0.00 H new ATOM 0 HB2 ALA A 60 10.066 6.005 0.696 1.00 0.00 H new ATOM 0 HB3 ALA A 60 11.439 5.101 1.378 1.00 0.00 H new