USER MOD reduce.3.24.130724 H: found=0, std=0, add=380, rem=0, adj=13 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= 0.00186 USER MOD Single : A 18 CYS SG : rot 180:sc= -1.86 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -162:sc=-0.00631 (180deg=-0.15) USER MOD Single : A 26 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0286) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0.613 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl -158:sc= -0.141 (180deg=-0.899) USER MOD Single : A 46 ASN : amide:sc= -1.68 K(o=-1.7,f=-3.2!) USER MOD Single : A 47 ASN : amide:sc= -0.597 K(o=-0.6,f=-1.5) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.00822 USER MOD Single : A 53 LYS NZ :NH3+ 143:sc= 1.25 (180deg=-0.672) USER MOD Single : A 54 GLN : amide:sc= -1.23 K(o=-1.2,f=-0.3) USER MOD Single : A 56 TYR OH : rot -107:sc= 0.075 USER MOD Single : A 58 LYS NZ :NH3+ -161:sc= -0.0186 (180deg=-0.661) USER MOD Single : A 59 LYS NZ :NH3+ -162:sc= -1.07 (180deg=-1.51) USER MOD ----------------------------------------------------------------- ATOM 183 N SER A 12 5.327 7.963 4.006 1.00 0.00 N ATOM 184 CA SER A 12 5.790 6.705 4.683 1.00 0.00 C ATOM 185 C SER A 12 6.154 5.652 3.630 1.00 0.00 C ATOM 186 O SER A 12 5.973 5.872 2.452 1.00 0.00 O ATOM 187 CB SER A 12 4.646 6.162 5.570 1.00 0.00 C ATOM 188 OG SER A 12 5.311 5.379 6.551 1.00 0.00 O ATOM 0 HA SER A 12 6.667 6.922 5.293 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.076 6.972 6.025 1.00 0.00 H new ATOM 0 HB3 SER A 12 3.943 5.563 4.991 1.00 0.00 H new ATOM 0 HG SER A 12 4.651 4.993 7.164 1.00 0.00 H new ATOM 194 N ALA A 13 6.653 4.529 4.070 1.00 0.00 N ATOM 195 CA ALA A 13 7.026 3.475 3.095 1.00 0.00 C ATOM 196 C ALA A 13 5.816 2.897 2.433 1.00 0.00 C ATOM 197 O ALA A 13 5.626 3.018 1.238 1.00 0.00 O ATOM 198 CB ALA A 13 7.737 2.321 3.839 1.00 0.00 C ATOM 0 H ALA A 13 6.816 4.301 5.051 1.00 0.00 H new ATOM 0 HA ALA A 13 7.673 3.930 2.345 1.00 0.00 H new ATOM 0 HB1 ALA A 13 8.013 1.544 3.126 1.00 0.00 H new ATOM 0 HB2 ALA A 13 8.634 2.701 4.327 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.065 1.903 4.589 1.00 0.00 H new ATOM 204 N PHE A 14 5.018 2.276 3.223 1.00 0.00 N ATOM 205 CA PHE A 14 3.802 1.663 2.687 1.00 0.00 C ATOM 206 C PHE A 14 2.829 2.717 2.131 1.00 0.00 C ATOM 207 O PHE A 14 1.779 2.379 1.623 1.00 0.00 O ATOM 208 CB PHE A 14 3.161 0.787 3.828 1.00 0.00 C ATOM 209 CG PHE A 14 1.687 1.107 4.101 1.00 0.00 C ATOM 210 CD1 PHE A 14 1.302 2.377 4.443 1.00 0.00 C ATOM 211 CD2 PHE A 14 0.730 0.104 4.028 1.00 0.00 C ATOM 212 CE1 PHE A 14 -0.018 2.660 4.710 1.00 0.00 C ATOM 213 CE2 PHE A 14 -0.586 0.381 4.292 1.00 0.00 C ATOM 214 CZ PHE A 14 -0.964 1.662 4.635 1.00 0.00 C ATOM 0 H PHE A 14 5.157 2.166 4.227 1.00 0.00 H new ATOM 0 HA PHE A 14 4.045 1.025 1.837 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.251 -0.265 3.559 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.730 0.931 4.746 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.041 3.162 4.503 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.024 -0.900 3.762 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.312 3.664 4.978 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.326 -0.403 4.231 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.000 1.882 4.844 1.00 0.00 H new ATOM 224 N PHE A 15 3.153 3.980 2.277 1.00 0.00 N ATOM 225 CA PHE A 15 2.218 4.996 1.735 1.00 0.00 C ATOM 226 C PHE A 15 2.422 5.025 0.255 1.00 0.00 C ATOM 227 O PHE A 15 1.495 5.139 -0.514 1.00 0.00 O ATOM 228 CB PHE A 15 2.521 6.379 2.316 1.00 0.00 C ATOM 229 CG PHE A 15 1.453 7.356 1.814 1.00 0.00 C ATOM 230 CD1 PHE A 15 0.156 7.297 2.304 1.00 0.00 C ATOM 231 CD2 PHE A 15 1.761 8.295 0.849 1.00 0.00 C ATOM 232 CE1 PHE A 15 -0.809 8.163 1.830 1.00 0.00 C ATOM 233 CE2 PHE A 15 0.793 9.161 0.380 1.00 0.00 C ATOM 234 CZ PHE A 15 -0.490 9.094 0.870 1.00 0.00 C ATOM 0 H PHE A 15 3.994 4.335 2.732 1.00 0.00 H new ATOM 0 HA PHE A 15 1.191 4.742 1.996 1.00 0.00 H new ATOM 0 HB2 PHE A 15 2.520 6.342 3.405 1.00 0.00 H new ATOM 0 HB3 PHE A 15 3.513 6.711 2.010 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -0.100 6.570 3.060 1.00 0.00 H new ATOM 0 HD2 PHE A 15 2.766 8.352 0.458 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -1.817 8.109 2.214 1.00 0.00 H new ATOM 0 HE2 PHE A 15 1.044 9.893 -0.374 1.00 0.00 H new ATOM 0 HZ PHE A 15 -1.246 9.772 0.501 1.00 0.00 H new ATOM 244 N LEU A 16 3.662 4.917 -0.120 1.00 0.00 N ATOM 245 CA LEU A 16 3.986 4.925 -1.544 1.00 0.00 C ATOM 246 C LEU A 16 3.344 3.709 -2.163 1.00 0.00 C ATOM 247 O LEU A 16 3.078 3.655 -3.346 1.00 0.00 O ATOM 248 CB LEU A 16 5.510 4.772 -1.694 1.00 0.00 C ATOM 249 CG LEU A 16 6.246 5.831 -0.865 1.00 0.00 C ATOM 250 CD1 LEU A 16 7.725 5.417 -0.745 1.00 0.00 C ATOM 251 CD2 LEU A 16 6.147 7.192 -1.558 1.00 0.00 C ATOM 0 H LEU A 16 4.459 4.824 0.510 1.00 0.00 H new ATOM 0 HA LEU A 16 3.640 5.845 -2.016 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.814 3.776 -1.372 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.788 4.867 -2.744 1.00 0.00 H new ATOM 0 HG LEU A 16 5.797 5.907 0.125 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.264 6.160 -0.158 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.792 4.447 -0.253 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.166 5.351 -1.740 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.672 7.941 -0.965 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.600 7.130 -2.548 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.099 7.475 -1.656 1.00 0.00 H new ATOM 263 N PHE A 17 3.103 2.746 -1.312 1.00 0.00 N ATOM 264 CA PHE A 17 2.482 1.491 -1.755 1.00 0.00 C ATOM 265 C PHE A 17 0.975 1.652 -1.808 1.00 0.00 C ATOM 266 O PHE A 17 0.321 1.102 -2.658 1.00 0.00 O ATOM 267 CB PHE A 17 2.867 0.450 -0.714 1.00 0.00 C ATOM 268 CG PHE A 17 2.119 -0.834 -0.918 1.00 0.00 C ATOM 269 CD1 PHE A 17 0.861 -0.995 -0.369 1.00 0.00 C ATOM 270 CD2 PHE A 17 2.714 -1.888 -1.570 1.00 0.00 C ATOM 271 CE1 PHE A 17 0.214 -2.195 -0.467 1.00 0.00 C ATOM 272 CE2 PHE A 17 2.064 -3.088 -1.671 1.00 0.00 C ATOM 273 CZ PHE A 17 0.815 -3.241 -1.114 1.00 0.00 C ATOM 0 H PHE A 17 3.318 2.789 -0.316 1.00 0.00 H new ATOM 0 HA PHE A 17 2.815 1.201 -2.752 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.939 0.260 -0.767 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.661 0.838 0.284 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.387 -0.169 0.140 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.696 -1.769 -2.003 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.768 -2.318 -0.035 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.531 -3.914 -2.187 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.306 -4.191 -1.188 1.00 0.00 H new ATOM 283 N CYS A 18 0.449 2.392 -0.877 1.00 0.00 N ATOM 284 CA CYS A 18 -1.007 2.605 -0.860 1.00 0.00 C ATOM 285 C CYS A 18 -1.472 3.160 -2.196 1.00 0.00 C ATOM 286 O CYS A 18 -2.174 2.503 -2.934 1.00 0.00 O ATOM 287 CB CYS A 18 -1.327 3.637 0.242 1.00 0.00 C ATOM 288 SG CYS A 18 -3.016 4.285 0.313 1.00 0.00 S ATOM 0 H CYS A 18 0.969 2.855 -0.131 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.514 1.658 -0.672 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -1.100 3.181 1.206 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.648 4.481 0.121 1.00 0.00 H new ATOM 0 HG CYS A 18 -3.114 5.134 1.292 1.00 0.00 H new ATOM 294 N SER A 19 -1.043 4.363 -2.491 1.00 0.00 N ATOM 295 CA SER A 19 -1.439 5.001 -3.770 1.00 0.00 C ATOM 296 C SER A 19 -1.353 4.007 -4.920 1.00 0.00 C ATOM 297 O SER A 19 -2.119 4.072 -5.861 1.00 0.00 O ATOM 298 CB SER A 19 -0.476 6.179 -4.034 1.00 0.00 C ATOM 299 OG SER A 19 -1.238 7.080 -4.820 1.00 0.00 O ATOM 0 H SER A 19 -0.435 4.926 -1.896 1.00 0.00 H new ATOM 0 HA SER A 19 -2.469 5.349 -3.700 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.148 6.642 -3.103 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.420 5.851 -4.560 1.00 0.00 H new ATOM 0 HG SER A 19 -0.695 7.867 -5.034 1.00 0.00 H new ATOM 305 N GLU A 20 -0.414 3.110 -4.825 1.00 0.00 N ATOM 306 CA GLU A 20 -0.264 2.108 -5.897 1.00 0.00 C ATOM 307 C GLU A 20 -1.366 1.054 -5.788 1.00 0.00 C ATOM 308 O GLU A 20 -2.025 0.744 -6.757 1.00 0.00 O ATOM 309 CB GLU A 20 1.131 1.432 -5.757 1.00 0.00 C ATOM 310 CG GLU A 20 1.211 0.198 -6.666 1.00 0.00 C ATOM 311 CD GLU A 20 0.762 0.573 -8.085 1.00 0.00 C ATOM 312 OE1 GLU A 20 1.416 1.433 -8.651 1.00 0.00 O ATOM 313 OE2 GLU A 20 -0.209 -0.025 -8.521 1.00 0.00 O ATOM 0 H GLU A 20 0.249 3.032 -4.054 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.345 2.595 -6.869 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.916 2.141 -6.022 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.301 1.142 -4.720 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.231 -0.186 -6.686 1.00 0.00 H new ATOM 0 HG3 GLU A 20 0.579 -0.598 -6.272 1.00 0.00 H new ATOM 320 N TYR A 21 -1.529 0.508 -4.599 1.00 0.00 N ATOM 321 CA TYR A 21 -2.577 -0.530 -4.384 1.00 0.00 C ATOM 322 C TYR A 21 -3.883 0.066 -3.883 1.00 0.00 C ATOM 323 O TYR A 21 -4.717 -0.641 -3.349 1.00 0.00 O ATOM 324 CB TYR A 21 -2.046 -1.502 -3.319 1.00 0.00 C ATOM 325 CG TYR A 21 -1.134 -2.520 -3.966 1.00 0.00 C ATOM 326 CD1 TYR A 21 0.211 -2.265 -4.085 1.00 0.00 C ATOM 327 CD2 TYR A 21 -1.638 -3.723 -4.407 1.00 0.00 C ATOM 328 CE1 TYR A 21 1.053 -3.207 -4.637 1.00 0.00 C ATOM 329 CE2 TYR A 21 -0.799 -4.668 -4.962 1.00 0.00 C ATOM 330 CZ TYR A 21 0.555 -4.418 -5.081 1.00 0.00 C ATOM 331 OH TYR A 21 1.398 -5.363 -5.630 1.00 0.00 O ATOM 0 H TYR A 21 -0.977 0.742 -3.773 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.782 -1.023 -5.334 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.505 -0.952 -2.549 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -2.877 -2.006 -2.826 1.00 0.00 H new ATOM 0 HD1 TYR A 21 0.611 -1.321 -3.744 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -2.695 -3.928 -4.318 1.00 0.00 H new ATOM 0 HE1 TYR A 21 2.109 -2.997 -4.723 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.203 -5.609 -5.305 1.00 0.00 H new ATOM 0 HH TYR A 21 0.880 -6.154 -5.887 1.00 0.00 H new ATOM 341 N ARG A 22 -4.050 1.336 -4.050 1.00 0.00 N ATOM 342 CA ARG A 22 -5.315 1.957 -3.575 1.00 0.00 C ATOM 343 C ARG A 22 -6.477 1.756 -4.567 1.00 0.00 C ATOM 344 O ARG A 22 -7.591 1.559 -4.150 1.00 0.00 O ATOM 345 CB ARG A 22 -5.127 3.487 -3.340 1.00 0.00 C ATOM 346 CG ARG A 22 -6.215 3.961 -2.357 1.00 0.00 C ATOM 347 CD ARG A 22 -6.265 5.493 -2.320 1.00 0.00 C ATOM 348 NE ARG A 22 -5.088 5.998 -1.543 1.00 0.00 N ATOM 349 CZ ARG A 22 -5.169 7.138 -0.883 1.00 0.00 C ATOM 350 NH1 ARG A 22 -6.282 7.828 -0.914 1.00 0.00 N ATOM 351 NH2 ARG A 22 -4.125 7.544 -0.217 1.00 0.00 N ATOM 0 H ARG A 22 -3.381 1.969 -4.487 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.565 1.458 -2.639 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.135 3.690 -2.936 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.204 4.029 -4.283 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.185 3.566 -2.659 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.008 3.573 -1.360 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.249 5.895 -3.333 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -7.194 5.829 -1.859 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.222 5.460 -1.524 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -7.081 7.484 -1.446 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -6.350 8.710 -0.406 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -3.272 6.984 -0.215 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -4.161 8.422 0.302 1.00 0.00 H new ATOM 365 N PRO A 23 -6.199 1.793 -5.880 1.00 0.00 N ATOM 366 CA PRO A 23 -7.253 1.616 -6.876 1.00 0.00 C ATOM 367 C PRO A 23 -7.628 0.132 -7.041 1.00 0.00 C ATOM 368 O PRO A 23 -8.777 -0.195 -7.269 1.00 0.00 O ATOM 369 CB PRO A 23 -6.633 2.168 -8.199 1.00 0.00 C ATOM 370 CG PRO A 23 -5.095 2.340 -7.941 1.00 0.00 C ATOM 371 CD PRO A 23 -4.852 2.003 -6.444 1.00 0.00 C ATOM 0 HA PRO A 23 -8.171 2.129 -6.590 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -6.812 1.481 -9.026 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -7.088 3.120 -8.472 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -4.518 1.677 -8.585 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -4.777 3.358 -8.165 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -4.234 1.112 -6.335 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -4.333 2.815 -5.935 1.00 0.00 H new ATOM 379 N LYS A 24 -6.653 -0.737 -6.918 1.00 0.00 N ATOM 380 CA LYS A 24 -6.948 -2.177 -7.068 1.00 0.00 C ATOM 381 C LYS A 24 -8.107 -2.568 -6.183 1.00 0.00 C ATOM 382 O LYS A 24 -9.022 -3.248 -6.607 1.00 0.00 O ATOM 383 CB LYS A 24 -5.705 -2.983 -6.636 1.00 0.00 C ATOM 384 CG LYS A 24 -4.519 -2.663 -7.568 1.00 0.00 C ATOM 385 CD LYS A 24 -4.593 -3.541 -8.836 1.00 0.00 C ATOM 386 CE LYS A 24 -3.750 -2.900 -9.944 1.00 0.00 C ATOM 387 NZ LYS A 24 -4.461 -1.730 -10.531 1.00 0.00 N ATOM 0 H LYS A 24 -5.679 -0.505 -6.722 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.203 -2.385 -8.107 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.444 -2.741 -5.606 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.925 -4.050 -6.667 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.537 -1.609 -7.844 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.578 -2.840 -7.047 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.228 -4.545 -8.619 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.628 -3.642 -9.163 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.788 -2.583 -9.540 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.543 -3.635 -10.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -4.043 -1.497 -11.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.467 -1.962 -10.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.370 -0.913 -9.894 1.00 0.00 H new ATOM 401 N ILE A 25 -8.049 -2.131 -4.956 1.00 0.00 N ATOM 402 CA ILE A 25 -9.133 -2.455 -4.002 1.00 0.00 C ATOM 403 C ILE A 25 -10.252 -1.397 -4.080 1.00 0.00 C ATOM 404 O ILE A 25 -11.374 -1.716 -4.410 1.00 0.00 O ATOM 405 CB ILE A 25 -8.531 -2.509 -2.551 1.00 0.00 C ATOM 406 CG1 ILE A 25 -7.187 -1.745 -2.491 1.00 0.00 C ATOM 407 CG2 ILE A 25 -8.275 -4.005 -2.171 1.00 0.00 C ATOM 408 CD1 ILE A 25 -6.855 -1.358 -1.026 1.00 0.00 C ATOM 0 H ILE A 25 -7.293 -1.562 -4.576 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.566 -3.423 -4.255 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.233 -2.046 -1.857 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.389 -2.365 -2.901 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.242 -0.848 -3.108 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -7.857 -4.059 -1.166 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -9.216 -4.555 -2.202 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -7.574 -4.446 -2.880 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -5.907 -0.821 -0.997 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -7.645 -0.720 -0.630 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -6.779 -2.261 -0.420 1.00 0.00 H new ATOM 420 N LYS A 26 -9.923 -0.153 -3.794 1.00 0.00 N ATOM 421 CA LYS A 26 -10.970 0.907 -3.853 1.00 0.00 C ATOM 422 C LYS A 26 -11.730 0.807 -5.156 1.00 0.00 C ATOM 423 O LYS A 26 -12.885 1.173 -5.241 1.00 0.00 O ATOM 424 CB LYS A 26 -10.286 2.293 -3.792 1.00 0.00 C ATOM 425 CG LYS A 26 -11.353 3.406 -3.800 1.00 0.00 C ATOM 426 CD LYS A 26 -12.329 3.220 -2.609 1.00 0.00 C ATOM 427 CE LYS A 26 -12.879 4.586 -2.173 1.00 0.00 C ATOM 428 NZ LYS A 26 -11.866 5.319 -1.364 1.00 0.00 N ATOM 0 H LYS A 26 -8.990 0.163 -3.528 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.656 0.780 -3.016 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.677 2.368 -2.891 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -9.615 2.415 -4.642 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -10.872 4.382 -3.736 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -11.905 3.384 -4.739 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -13.149 2.562 -2.897 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -11.814 2.741 -1.776 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -13.148 5.174 -3.051 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -13.790 4.449 -1.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -12.305 6.159 -0.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.505 4.697 -0.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -11.080 5.614 -1.977 1.00 0.00 H new ATOM 442 N GLY A 27 -11.062 0.309 -6.151 1.00 0.00 N ATOM 443 CA GLY A 27 -11.717 0.169 -7.462 1.00 0.00 C ATOM 444 C GLY A 27 -12.839 -0.848 -7.353 1.00 0.00 C ATOM 445 O GLY A 27 -13.992 -0.543 -7.583 1.00 0.00 O ATOM 0 H GLY A 27 -10.093 -0.005 -6.109 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -12.112 1.131 -7.789 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -10.993 -0.150 -8.212 1.00 0.00 H new ATOM 449 N GLU A 28 -12.470 -2.043 -6.999 1.00 0.00 N ATOM 450 CA GLU A 28 -13.464 -3.103 -6.858 1.00 0.00 C ATOM 451 C GLU A 28 -14.300 -2.876 -5.604 1.00 0.00 C ATOM 452 O GLU A 28 -15.275 -3.562 -5.367 1.00 0.00 O ATOM 453 CB GLU A 28 -12.717 -4.429 -6.722 1.00 0.00 C ATOM 454 CG GLU A 28 -11.996 -4.742 -8.033 1.00 0.00 C ATOM 455 CD GLU A 28 -13.019 -5.171 -9.087 1.00 0.00 C ATOM 456 OE1 GLU A 28 -13.611 -6.216 -8.872 1.00 0.00 O ATOM 457 OE2 GLU A 28 -13.148 -4.431 -10.049 1.00 0.00 O ATOM 0 H GLU A 28 -11.508 -2.321 -6.802 1.00 0.00 H new ATOM 0 HA GLU A 28 -14.125 -3.111 -7.725 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.999 -4.372 -5.904 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -13.416 -5.229 -6.478 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -11.448 -3.865 -8.378 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.264 -5.534 -7.878 1.00 0.00 H new ATOM 464 N HIS A 29 -13.894 -1.897 -4.818 1.00 0.00 N ATOM 465 CA HIS A 29 -14.634 -1.578 -3.555 1.00 0.00 C ATOM 466 C HIS A 29 -14.908 -0.074 -3.451 1.00 0.00 C ATOM 467 O HIS A 29 -14.345 0.593 -2.610 1.00 0.00 O ATOM 468 CB HIS A 29 -13.727 -1.959 -2.370 1.00 0.00 C ATOM 469 CG HIS A 29 -13.637 -3.480 -2.247 1.00 0.00 C ATOM 470 ND1 HIS A 29 -14.342 -4.173 -1.492 1.00 0.00 N ATOM 471 CD2 HIS A 29 -12.791 -4.368 -2.880 1.00 0.00 C ATOM 472 CE1 HIS A 29 -14.044 -5.398 -1.570 1.00 0.00 C ATOM 473 NE2 HIS A 29 -13.059 -5.627 -2.438 1.00 0.00 N ATOM 0 H HIS A 29 -13.082 -1.308 -5.001 1.00 0.00 H new ATOM 0 HA HIS A 29 -15.578 -2.122 -3.549 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -12.732 -1.538 -2.513 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -14.123 -1.534 -1.447 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -12.038 -4.106 -3.608 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -14.533 -6.173 -0.998 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -12.622 -6.510 -2.701 1.00 0.00 H new ATOM 481 N PRO A 30 -15.779 0.441 -4.304 1.00 0.00 N ATOM 482 CA PRO A 30 -16.092 1.860 -4.269 1.00 0.00 C ATOM 483 C PRO A 30 -16.817 2.220 -2.960 1.00 0.00 C ATOM 484 O PRO A 30 -18.018 2.399 -2.936 1.00 0.00 O ATOM 485 CB PRO A 30 -17.015 2.098 -5.512 1.00 0.00 C ATOM 486 CG PRO A 30 -17.339 0.689 -6.116 1.00 0.00 C ATOM 487 CD PRO A 30 -16.497 -0.348 -5.325 1.00 0.00 C ATOM 0 HA PRO A 30 -15.199 2.484 -4.304 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -17.930 2.613 -5.220 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -16.516 2.728 -6.248 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -18.403 0.468 -6.030 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -17.092 0.658 -7.177 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -17.133 -1.104 -4.864 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -15.801 -0.873 -5.979 1.00 0.00 H new ATOM 495 N GLY A 31 -16.068 2.306 -1.886 1.00 0.00 N ATOM 496 CA GLY A 31 -16.716 2.653 -0.586 1.00 0.00 C ATOM 497 C GLY A 31 -15.841 2.261 0.610 1.00 0.00 C ATOM 498 O GLY A 31 -16.351 1.866 1.641 1.00 0.00 O ATOM 0 H GLY A 31 -15.060 2.155 -1.854 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -16.916 3.724 -0.554 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -17.679 2.147 -0.513 1.00 0.00 H new ATOM 502 N LEU A 32 -14.541 2.368 0.463 1.00 0.00 N ATOM 503 CA LEU A 32 -13.655 1.999 1.608 1.00 0.00 C ATOM 504 C LEU A 32 -13.454 3.175 2.532 1.00 0.00 C ATOM 505 O LEU A 32 -13.483 4.316 2.116 1.00 0.00 O ATOM 506 CB LEU A 32 -12.233 1.636 1.098 1.00 0.00 C ATOM 507 CG LEU A 32 -12.185 0.330 0.271 1.00 0.00 C ATOM 508 CD1 LEU A 32 -10.723 -0.160 0.247 1.00 0.00 C ATOM 509 CD2 LEU A 32 -13.033 -0.756 0.916 1.00 0.00 C ATOM 0 H LEU A 32 -14.066 2.688 -0.381 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.135 1.163 2.117 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.855 2.456 0.488 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.563 1.539 1.953 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.567 0.529 -0.730 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.658 -1.082 -0.331 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.092 0.601 -0.212 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.385 -0.346 1.266 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.982 -1.663 0.314 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.658 -0.963 1.918 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -14.068 -0.420 0.978 1.00 0.00 H new ATOM 521 N SER A 33 -13.250 2.871 3.780 1.00 0.00 N ATOM 522 CA SER A 33 -13.034 3.933 4.772 1.00 0.00 C ATOM 523 C SER A 33 -11.539 4.110 4.928 1.00 0.00 C ATOM 524 O SER A 33 -10.804 3.146 4.830 1.00 0.00 O ATOM 525 CB SER A 33 -13.635 3.490 6.114 1.00 0.00 C ATOM 526 OG SER A 33 -12.901 2.325 6.461 1.00 0.00 O ATOM 0 H SER A 33 -13.225 1.921 4.150 1.00 0.00 H new ATOM 0 HA SER A 33 -13.503 4.866 4.457 1.00 0.00 H new ATOM 0 HB2 SER A 33 -13.530 4.266 6.872 1.00 0.00 H new ATOM 0 HB3 SER A 33 -14.700 3.276 6.022 1.00 0.00 H new ATOM 0 HG SER A 33 -13.226 1.976 7.317 1.00 0.00 H new ATOM 532 N ILE A 34 -11.095 5.320 5.153 1.00 0.00 N ATOM 533 CA ILE A 34 -9.622 5.531 5.310 1.00 0.00 C ATOM 534 C ILE A 34 -9.008 4.421 6.135 1.00 0.00 C ATOM 535 O ILE A 34 -7.849 4.089 5.977 1.00 0.00 O ATOM 536 CB ILE A 34 -9.390 6.870 6.015 1.00 0.00 C ATOM 537 CG1 ILE A 34 -10.053 7.994 5.216 1.00 0.00 C ATOM 538 CG2 ILE A 34 -7.868 7.145 6.084 1.00 0.00 C ATOM 539 CD1 ILE A 34 -9.882 9.340 5.954 1.00 0.00 C ATOM 0 H ILE A 34 -11.674 6.156 5.234 1.00 0.00 H new ATOM 0 HA ILE A 34 -9.155 5.531 4.325 1.00 0.00 H new ATOM 0 HB ILE A 34 -9.816 6.830 7.018 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.609 8.056 4.223 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -11.112 7.777 5.079 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.693 8.097 6.585 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.379 6.346 6.642 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.459 7.185 5.074 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -10.357 10.134 5.378 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -10.347 9.277 6.938 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -8.821 9.560 6.068 1.00 0.00 H new ATOM 551 N GLY A 35 -9.794 3.871 7.001 1.00 0.00 N ATOM 552 CA GLY A 35 -9.280 2.779 7.846 1.00 0.00 C ATOM 553 C GLY A 35 -9.128 1.518 6.998 1.00 0.00 C ATOM 554 O GLY A 35 -8.066 0.957 6.916 1.00 0.00 O ATOM 0 H GLY A 35 -10.768 4.130 7.160 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -8.319 3.059 8.279 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -9.962 2.594 8.676 1.00 0.00 H new ATOM 558 N ASP A 36 -10.201 1.114 6.363 1.00 0.00 N ATOM 559 CA ASP A 36 -10.135 -0.101 5.521 1.00 0.00 C ATOM 560 C ASP A 36 -9.077 0.034 4.459 1.00 0.00 C ATOM 561 O ASP A 36 -8.336 -0.890 4.186 1.00 0.00 O ATOM 562 CB ASP A 36 -11.498 -0.281 4.828 1.00 0.00 C ATOM 563 CG ASP A 36 -11.701 -1.759 4.473 1.00 0.00 C ATOM 564 OD1 ASP A 36 -10.710 -2.469 4.526 1.00 0.00 O ATOM 565 OD2 ASP A 36 -12.835 -2.092 4.169 1.00 0.00 O ATOM 0 H ASP A 36 -11.110 1.575 6.396 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.891 -0.955 6.152 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -12.299 0.060 5.484 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -11.543 0.330 3.926 1.00 0.00 H new ATOM 570 N VAL A 37 -9.022 1.183 3.881 1.00 0.00 N ATOM 571 CA VAL A 37 -8.028 1.407 2.834 1.00 0.00 C ATOM 572 C VAL A 37 -6.652 1.092 3.355 1.00 0.00 C ATOM 573 O VAL A 37 -5.996 0.198 2.888 1.00 0.00 O ATOM 574 CB VAL A 37 -8.074 2.905 2.439 1.00 0.00 C ATOM 575 CG1 VAL A 37 -6.954 3.193 1.442 1.00 0.00 C ATOM 576 CG2 VAL A 37 -9.424 3.222 1.802 1.00 0.00 C ATOM 0 H VAL A 37 -9.626 1.977 4.092 1.00 0.00 H new ATOM 0 HA VAL A 37 -8.244 0.768 1.978 1.00 0.00 H new ATOM 0 HB VAL A 37 -7.942 3.525 3.326 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.980 4.245 1.159 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.992 2.964 1.900 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -7.090 2.575 0.554 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.457 4.275 1.524 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.560 2.608 0.912 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -10.221 3.010 2.514 1.00 0.00 H new ATOM 586 N ALA A 38 -6.265 1.816 4.333 1.00 0.00 N ATOM 587 CA ALA A 38 -4.940 1.600 4.917 1.00 0.00 C ATOM 588 C ALA A 38 -4.792 0.210 5.560 1.00 0.00 C ATOM 589 O ALA A 38 -3.720 -0.360 5.541 1.00 0.00 O ATOM 590 CB ALA A 38 -4.728 2.686 5.959 1.00 0.00 C ATOM 0 H ALA A 38 -6.815 2.560 4.762 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.190 1.646 4.127 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.748 2.561 6.420 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.782 3.664 5.481 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.501 2.612 6.724 1.00 0.00 H new ATOM 596 N LYS A 39 -5.858 -0.319 6.114 1.00 0.00 N ATOM 597 CA LYS A 39 -5.743 -1.661 6.741 1.00 0.00 C ATOM 598 C LYS A 39 -5.480 -2.710 5.670 1.00 0.00 C ATOM 599 O LYS A 39 -4.480 -3.396 5.702 1.00 0.00 O ATOM 600 CB LYS A 39 -7.081 -1.986 7.494 1.00 0.00 C ATOM 601 CG LYS A 39 -6.905 -1.742 9.006 1.00 0.00 C ATOM 602 CD LYS A 39 -6.731 -0.227 9.259 1.00 0.00 C ATOM 603 CE LYS A 39 -6.261 0.038 10.715 1.00 0.00 C ATOM 604 NZ LYS A 39 -7.423 0.421 11.563 1.00 0.00 N ATOM 0 H LYS A 39 -6.781 0.114 6.156 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.914 -1.669 7.448 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.887 -1.362 7.107 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.367 -3.023 7.315 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.772 -2.117 9.550 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.036 -2.287 9.376 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.004 0.182 8.557 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -7.675 0.287 9.077 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.783 -0.854 11.120 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.515 0.832 10.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -7.100 0.597 12.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -7.861 1.284 11.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.121 -0.350 11.564 1.00 0.00 H new ATOM 618 N LYS A 40 -6.383 -2.815 4.746 1.00 0.00 N ATOM 619 CA LYS A 40 -6.204 -3.812 3.664 1.00 0.00 C ATOM 620 C LYS A 40 -4.829 -3.644 3.046 1.00 0.00 C ATOM 621 O LYS A 40 -4.161 -4.597 2.722 1.00 0.00 O ATOM 622 CB LYS A 40 -7.289 -3.560 2.587 1.00 0.00 C ATOM 623 CG LYS A 40 -8.574 -4.349 2.948 1.00 0.00 C ATOM 624 CD LYS A 40 -8.470 -5.787 2.399 1.00 0.00 C ATOM 625 CE LYS A 40 -9.687 -6.602 2.860 1.00 0.00 C ATOM 626 NZ LYS A 40 -9.491 -7.086 4.252 1.00 0.00 N ATOM 0 H LYS A 40 -7.235 -2.256 4.692 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.295 -4.823 4.062 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.511 -2.495 2.522 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.923 -3.870 1.608 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.708 -4.371 4.030 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -9.448 -3.851 2.529 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.423 -5.769 1.310 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -7.551 -6.256 2.750 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.586 -5.988 2.805 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -9.839 -7.450 2.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.323 -7.635 4.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -8.645 -7.689 4.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.368 -6.273 4.888 1.00 0.00 H new ATOM 640 N LEU A 41 -4.448 -2.432 2.861 1.00 0.00 N ATOM 641 CA LEU A 41 -3.130 -2.190 2.274 1.00 0.00 C ATOM 642 C LEU A 41 -2.085 -2.672 3.225 1.00 0.00 C ATOM 643 O LEU A 41 -1.048 -3.170 2.832 1.00 0.00 O ATOM 644 CB LEU A 41 -2.945 -0.681 2.079 1.00 0.00 C ATOM 645 CG LEU A 41 -3.837 -0.190 0.942 1.00 0.00 C ATOM 646 CD1 LEU A 41 -3.878 1.340 0.993 1.00 0.00 C ATOM 647 CD2 LEU A 41 -3.261 -0.663 -0.419 1.00 0.00 C ATOM 0 H LEU A 41 -4.991 -1.600 3.090 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.046 -2.710 1.320 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.192 -0.154 3.000 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.901 -0.460 1.855 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.844 -0.594 1.049 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.511 1.714 0.188 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.283 1.661 1.952 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.869 1.735 0.875 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.901 -0.310 -1.227 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.257 -0.260 -0.549 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.220 -1.752 -0.438 1.00 0.00 H new ATOM 659 N GLY A 42 -2.378 -2.513 4.473 1.00 0.00 N ATOM 660 CA GLY A 42 -1.430 -2.947 5.490 1.00 0.00 C ATOM 661 C GLY A 42 -1.272 -4.463 5.418 1.00 0.00 C ATOM 662 O GLY A 42 -0.229 -5.003 5.734 1.00 0.00 O ATOM 0 H GLY A 42 -3.241 -2.098 4.825 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.466 -2.462 5.336 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.780 -2.653 6.479 1.00 0.00 H new ATOM 666 N GLU A 43 -2.329 -5.124 4.996 1.00 0.00 N ATOM 667 CA GLU A 43 -2.281 -6.592 4.887 1.00 0.00 C ATOM 668 C GLU A 43 -1.401 -6.989 3.705 1.00 0.00 C ATOM 669 O GLU A 43 -0.416 -7.682 3.869 1.00 0.00 O ATOM 670 CB GLU A 43 -3.737 -7.104 4.658 1.00 0.00 C ATOM 671 CG GLU A 43 -4.396 -7.417 6.015 1.00 0.00 C ATOM 672 CD GLU A 43 -3.954 -8.803 6.500 1.00 0.00 C ATOM 673 OE1 GLU A 43 -2.800 -8.900 6.878 1.00 0.00 O ATOM 674 OE2 GLU A 43 -4.799 -9.684 6.467 1.00 0.00 O ATOM 0 H GLU A 43 -3.215 -4.696 4.726 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.864 -7.029 5.794 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.318 -6.351 4.125 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.725 -7.998 4.034 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.118 -6.660 6.748 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.481 -7.384 5.919 1.00 0.00 H new ATOM 681 N MET A 44 -1.772 -6.543 2.533 1.00 0.00 N ATOM 682 CA MET A 44 -0.960 -6.890 1.346 1.00 0.00 C ATOM 683 C MET A 44 0.478 -6.454 1.578 1.00 0.00 C ATOM 684 O MET A 44 1.405 -7.177 1.284 1.00 0.00 O ATOM 685 CB MET A 44 -1.540 -6.161 0.113 1.00 0.00 C ATOM 686 CG MET A 44 -2.754 -6.945 -0.393 1.00 0.00 C ATOM 687 SD MET A 44 -3.713 -6.221 -1.739 1.00 0.00 S ATOM 688 CE MET A 44 -4.166 -4.692 -0.889 1.00 0.00 C ATOM 0 H MET A 44 -2.591 -5.962 2.355 1.00 0.00 H new ATOM 0 HA MET A 44 -0.983 -7.966 1.176 1.00 0.00 H new ATOM 0 HB2 MET A 44 -1.830 -5.144 0.377 1.00 0.00 H new ATOM 0 HB3 MET A 44 -0.786 -6.084 -0.670 1.00 0.00 H new ATOM 0 HG2 MET A 44 -2.409 -7.927 -0.717 1.00 0.00 H new ATOM 0 HG3 MET A 44 -3.426 -7.105 0.450 1.00 0.00 H new ATOM 0 HE1 MET A 44 -5.056 -4.267 -1.353 1.00 0.00 H new ATOM 0 HE2 MET A 44 -4.371 -4.906 0.160 1.00 0.00 H new ATOM 0 HE3 MET A 44 -3.345 -3.979 -0.960 1.00 0.00 H new ATOM 698 N TRP A 45 0.634 -5.277 2.092 1.00 0.00 N ATOM 699 CA TRP A 45 1.999 -4.781 2.352 1.00 0.00 C ATOM 700 C TRP A 45 2.690 -5.744 3.271 1.00 0.00 C ATOM 701 O TRP A 45 3.741 -6.265 2.970 1.00 0.00 O ATOM 702 CB TRP A 45 1.866 -3.436 3.056 1.00 0.00 C ATOM 703 CG TRP A 45 3.228 -2.937 3.548 1.00 0.00 C ATOM 704 CD1 TRP A 45 3.557 -2.853 4.823 1.00 0.00 C ATOM 705 CD2 TRP A 45 4.166 -2.428 2.786 1.00 0.00 C ATOM 706 NE1 TRP A 45 4.749 -2.257 4.810 1.00 0.00 N ATOM 707 CE2 TRP A 45 5.212 -1.948 3.551 1.00 0.00 C ATOM 708 CE3 TRP A 45 4.200 -2.273 1.419 1.00 0.00 C ATOM 709 CZ2 TRP A 45 6.276 -1.316 2.953 1.00 0.00 C ATOM 710 CZ3 TRP A 45 5.267 -1.640 0.822 1.00 0.00 C ATOM 711 CH2 TRP A 45 6.300 -1.158 1.592 1.00 0.00 C ATOM 0 H TRP A 45 -0.122 -4.639 2.342 1.00 0.00 H new ATOM 0 HA TRP A 45 2.567 -4.683 1.427 1.00 0.00 H new ATOM 0 HB2 TRP A 45 1.432 -2.705 2.373 1.00 0.00 H new ATOM 0 HB3 TRP A 45 1.182 -3.529 3.900 1.00 0.00 H new ATOM 0 HD1 TRP A 45 2.991 -3.189 5.679 1.00 0.00 H new ATOM 0 HE1 TRP A 45 5.273 -2.048 5.660 1.00 0.00 H new ATOM 0 HE3 TRP A 45 3.388 -2.649 0.814 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 7.092 -0.944 3.555 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 5.293 -1.522 -0.251 1.00 0.00 H new ATOM 0 HH2 TRP A 45 7.132 -0.654 1.123 1.00 0.00 H new ATOM 722 N ASN A 46 2.076 -5.958 4.389 1.00 0.00 N ATOM 723 CA ASN A 46 2.654 -6.892 5.375 1.00 0.00 C ATOM 724 C ASN A 46 3.042 -8.202 4.694 1.00 0.00 C ATOM 725 O ASN A 46 4.076 -8.773 4.981 1.00 0.00 O ATOM 726 CB ASN A 46 1.580 -7.191 6.450 1.00 0.00 C ATOM 727 CG ASN A 46 1.598 -6.094 7.515 1.00 0.00 C ATOM 728 OD1 ASN A 46 1.749 -4.926 7.220 1.00 0.00 O ATOM 729 ND2 ASN A 46 1.445 -6.431 8.766 1.00 0.00 N ATOM 0 H ASN A 46 1.195 -5.524 4.664 1.00 0.00 H new ATOM 0 HA ASN A 46 3.541 -6.445 5.823 1.00 0.00 H new ATOM 0 HB2 ASN A 46 0.594 -7.246 5.988 1.00 0.00 H new ATOM 0 HB3 ASN A 46 1.772 -8.161 6.910 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.453 -5.714 9.492 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.318 -7.411 9.018 1.00 0.00 H new ATOM 736 N ASN A 47 2.196 -8.655 3.805 1.00 0.00 N ATOM 737 CA ASN A 47 2.494 -9.915 3.100 1.00 0.00 C ATOM 738 C ASN A 47 3.728 -9.757 2.223 1.00 0.00 C ATOM 739 O ASN A 47 4.456 -10.702 1.995 1.00 0.00 O ATOM 740 CB ASN A 47 1.293 -10.275 2.212 1.00 0.00 C ATOM 741 CG ASN A 47 0.041 -10.421 3.081 1.00 0.00 C ATOM 742 OD1 ASN A 47 0.119 -10.703 4.261 1.00 0.00 O ATOM 743 ND2 ASN A 47 -1.133 -10.241 2.538 1.00 0.00 N ATOM 0 H ASN A 47 1.319 -8.203 3.545 1.00 0.00 H new ATOM 0 HA ASN A 47 2.682 -10.700 3.833 1.00 0.00 H new ATOM 0 HB2 ASN A 47 1.138 -9.501 1.460 1.00 0.00 H new ATOM 0 HB3 ASN A 47 1.488 -11.205 1.677 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -1.977 -10.337 3.103 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -1.206 -10.004 1.549 1.00 0.00 H new ATOM 750 N THR A 48 3.941 -8.559 1.747 1.00 0.00 N ATOM 751 CA THR A 48 5.121 -8.324 0.884 1.00 0.00 C ATOM 752 C THR A 48 6.398 -8.665 1.638 1.00 0.00 C ATOM 753 O THR A 48 6.592 -8.235 2.755 1.00 0.00 O ATOM 754 CB THR A 48 5.149 -6.834 0.496 1.00 0.00 C ATOM 755 OG1 THR A 48 3.843 -6.536 0.049 1.00 0.00 O ATOM 756 CG2 THR A 48 6.042 -6.590 -0.736 1.00 0.00 C ATOM 0 H THR A 48 3.352 -7.744 1.919 1.00 0.00 H new ATOM 0 HA THR A 48 5.056 -8.952 -0.004 1.00 0.00 H new ATOM 0 HB THR A 48 5.505 -6.248 1.343 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.794 -5.593 -0.213 1.00 0.00 H new ATOM 0 HG21 THR A 48 6.039 -5.528 -0.983 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.061 -6.909 -0.516 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.658 -7.160 -1.582 1.00 0.00 H new ATOM 764 N ALA A 49 7.242 -9.437 1.015 1.00 0.00 N ATOM 765 CA ALA A 49 8.508 -9.816 1.679 1.00 0.00 C ATOM 766 C ALA A 49 9.499 -8.660 1.669 1.00 0.00 C ATOM 767 O ALA A 49 9.493 -7.842 0.774 1.00 0.00 O ATOM 768 CB ALA A 49 9.119 -10.996 0.911 1.00 0.00 C ATOM 0 H ALA A 49 7.107 -9.818 0.079 1.00 0.00 H new ATOM 0 HA ALA A 49 8.299 -10.083 2.715 1.00 0.00 H new ATOM 0 HB1 ALA A 49 10.055 -11.292 1.384 1.00 0.00 H new ATOM 0 HB2 ALA A 49 8.425 -11.836 0.922 1.00 0.00 H new ATOM 0 HB3 ALA A 49 9.312 -10.699 -0.120 1.00 0.00 H new ATOM 774 N ALA A 50 10.337 -8.611 2.670 1.00 0.00 N ATOM 775 CA ALA A 50 11.333 -7.518 2.731 1.00 0.00 C ATOM 776 C ALA A 50 12.055 -7.376 1.396 1.00 0.00 C ATOM 777 O ALA A 50 12.291 -6.280 0.927 1.00 0.00 O ATOM 778 CB ALA A 50 12.365 -7.857 3.824 1.00 0.00 C ATOM 0 H ALA A 50 10.370 -9.279 3.440 1.00 0.00 H new ATOM 0 HA ALA A 50 10.824 -6.581 2.956 1.00 0.00 H new ATOM 0 HB1 ALA A 50 13.108 -7.061 3.883 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.859 -7.953 4.785 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.859 -8.797 3.579 1.00 0.00 H new ATOM 784 N ASP A 51 12.396 -8.489 0.808 1.00 0.00 N ATOM 785 CA ASP A 51 13.097 -8.440 -0.487 1.00 0.00 C ATOM 786 C ASP A 51 12.185 -7.886 -1.577 1.00 0.00 C ATOM 787 O ASP A 51 12.647 -7.365 -2.569 1.00 0.00 O ATOM 788 CB ASP A 51 13.517 -9.872 -0.866 1.00 0.00 C ATOM 789 CG ASP A 51 14.449 -9.824 -2.080 1.00 0.00 C ATOM 790 OD1 ASP A 51 14.016 -9.262 -3.073 1.00 0.00 O ATOM 791 OD2 ASP A 51 15.541 -10.352 -1.946 1.00 0.00 O ATOM 0 H ASP A 51 12.216 -9.424 1.174 1.00 0.00 H new ATOM 0 HA ASP A 51 13.966 -7.789 -0.398 1.00 0.00 H new ATOM 0 HB2 ASP A 51 14.021 -10.350 -0.026 1.00 0.00 H new ATOM 0 HB3 ASP A 51 12.636 -10.473 -1.093 1.00 0.00 H new ATOM 796 N ASP A 52 10.897 -8.009 -1.368 1.00 0.00 N ATOM 797 CA ASP A 52 9.930 -7.495 -2.382 1.00 0.00 C ATOM 798 C ASP A 52 9.624 -6.016 -2.148 1.00 0.00 C ATOM 799 O ASP A 52 9.056 -5.360 -2.993 1.00 0.00 O ATOM 800 CB ASP A 52 8.632 -8.296 -2.249 1.00 0.00 C ATOM 801 CG ASP A 52 8.852 -9.717 -2.780 1.00 0.00 C ATOM 802 OD1 ASP A 52 9.707 -9.850 -3.641 1.00 0.00 O ATOM 803 OD2 ASP A 52 8.152 -10.591 -2.294 1.00 0.00 O ATOM 0 H ASP A 52 10.477 -8.440 -0.544 1.00 0.00 H new ATOM 0 HA ASP A 52 10.363 -7.603 -3.377 1.00 0.00 H new ATOM 0 HB2 ASP A 52 8.319 -8.331 -1.206 1.00 0.00 H new ATOM 0 HB3 ASP A 52 7.832 -7.808 -2.806 1.00 0.00 H new ATOM 808 N LYS A 53 9.991 -5.534 -0.993 1.00 0.00 N ATOM 809 CA LYS A 53 9.735 -4.095 -0.671 1.00 0.00 C ATOM 810 C LYS A 53 10.815 -3.204 -1.284 1.00 0.00 C ATOM 811 O LYS A 53 10.768 -1.994 -1.195 1.00 0.00 O ATOM 812 CB LYS A 53 9.803 -3.939 0.846 1.00 0.00 C ATOM 813 CG LYS A 53 8.557 -4.559 1.484 1.00 0.00 C ATOM 814 CD LYS A 53 8.478 -4.114 2.947 1.00 0.00 C ATOM 815 CE LYS A 53 7.405 -4.929 3.670 1.00 0.00 C ATOM 816 NZ LYS A 53 7.922 -6.286 3.996 1.00 0.00 N ATOM 0 H LYS A 53 10.455 -6.069 -0.259 1.00 0.00 H new ATOM 0 HA LYS A 53 8.763 -3.804 -1.069 1.00 0.00 H new ATOM 0 HB2 LYS A 53 10.700 -4.423 1.231 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.872 -2.884 1.110 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.662 -4.246 0.946 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.603 -5.646 1.422 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.444 -4.252 3.433 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.242 -3.051 3.003 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.104 -4.417 4.584 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.517 -5.011 3.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.555 -6.584 4.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.612 -6.960 3.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.961 -6.263 4.027 1.00 0.00 H new ATOM 830 N GLN A 54 11.755 -3.840 -1.889 1.00 0.00 N ATOM 831 CA GLN A 54 12.878 -3.117 -2.535 1.00 0.00 C ATOM 832 C GLN A 54 12.445 -1.823 -3.309 1.00 0.00 C ATOM 833 O GLN A 54 12.956 -0.758 -3.045 1.00 0.00 O ATOM 834 CB GLN A 54 13.560 -4.122 -3.510 1.00 0.00 C ATOM 835 CG GLN A 54 14.878 -4.645 -2.908 1.00 0.00 C ATOM 836 CD GLN A 54 15.393 -5.808 -3.761 1.00 0.00 C ATOM 837 OE1 GLN A 54 15.820 -5.624 -4.885 1.00 0.00 O ATOM 838 NE2 GLN A 54 15.370 -7.019 -3.269 1.00 0.00 N ATOM 0 H GLN A 54 11.801 -4.856 -1.969 1.00 0.00 H new ATOM 0 HA GLN A 54 13.555 -2.767 -1.756 1.00 0.00 H new ATOM 0 HB2 GLN A 54 12.888 -4.957 -3.711 1.00 0.00 H new ATOM 0 HB3 GLN A 54 13.757 -3.635 -4.465 1.00 0.00 H new ATOM 0 HG2 GLN A 54 15.619 -3.846 -2.875 1.00 0.00 H new ATOM 0 HG3 GLN A 54 14.718 -4.974 -1.881 1.00 0.00 H new ATOM 0 HE21 GLN A 54 15.013 -7.180 -2.327 1.00 0.00 H new ATOM 0 HE22 GLN A 54 15.709 -7.803 -3.827 1.00 0.00 H new ATOM 847 N PRO A 55 11.532 -1.933 -4.262 1.00 0.00 N ATOM 848 CA PRO A 55 11.098 -0.751 -5.015 1.00 0.00 C ATOM 849 C PRO A 55 10.703 0.416 -4.114 1.00 0.00 C ATOM 850 O PRO A 55 11.034 1.552 -4.380 1.00 0.00 O ATOM 851 CB PRO A 55 9.856 -1.236 -5.827 1.00 0.00 C ATOM 852 CG PRO A 55 9.742 -2.784 -5.627 1.00 0.00 C ATOM 853 CD PRO A 55 10.865 -3.199 -4.643 1.00 0.00 C ATOM 0 HA PRO A 55 11.909 -0.375 -5.639 1.00 0.00 H new ATOM 0 HB2 PRO A 55 8.952 -0.736 -5.480 1.00 0.00 H new ATOM 0 HB3 PRO A 55 9.969 -0.993 -6.883 1.00 0.00 H new ATOM 0 HG2 PRO A 55 8.763 -3.050 -5.229 1.00 0.00 H new ATOM 0 HG3 PRO A 55 9.851 -3.305 -6.578 1.00 0.00 H new ATOM 0 HD2 PRO A 55 10.456 -3.707 -3.770 1.00 0.00 H new ATOM 0 HD3 PRO A 55 11.566 -3.888 -5.113 1.00 0.00 H new ATOM 861 N TYR A 56 10.012 0.109 -3.084 1.00 0.00 N ATOM 862 CA TYR A 56 9.573 1.175 -2.150 1.00 0.00 C ATOM 863 C TYR A 56 10.718 1.769 -1.340 1.00 0.00 C ATOM 864 O TYR A 56 10.871 2.975 -1.301 1.00 0.00 O ATOM 865 CB TYR A 56 8.528 0.573 -1.227 1.00 0.00 C ATOM 866 CG TYR A 56 7.354 0.154 -2.094 1.00 0.00 C ATOM 867 CD1 TYR A 56 6.567 1.107 -2.671 1.00 0.00 C ATOM 868 CD2 TYR A 56 7.084 -1.170 -2.331 1.00 0.00 C ATOM 869 CE1 TYR A 56 5.511 0.758 -3.481 1.00 0.00 C ATOM 870 CE2 TYR A 56 6.028 -1.536 -3.143 1.00 0.00 C ATOM 871 CZ TYR A 56 5.230 -0.570 -3.726 1.00 0.00 C ATOM 872 OH TYR A 56 4.177 -0.929 -4.542 1.00 0.00 O ATOM 0 H TYR A 56 9.723 -0.837 -2.834 1.00 0.00 H new ATOM 0 HA TYR A 56 9.163 2.001 -2.731 1.00 0.00 H new ATOM 0 HB2 TYR A 56 8.936 -0.284 -0.691 1.00 0.00 H new ATOM 0 HB3 TYR A 56 8.213 1.298 -0.477 1.00 0.00 H new ATOM 0 HD1 TYR A 56 6.776 2.151 -2.489 1.00 0.00 H new ATOM 0 HD2 TYR A 56 7.702 -1.932 -1.879 1.00 0.00 H new ATOM 0 HE1 TYR A 56 4.899 1.528 -3.927 1.00 0.00 H new ATOM 0 HE2 TYR A 56 5.825 -2.581 -3.323 1.00 0.00 H new ATOM 0 HH TYR A 56 3.446 -1.286 -3.995 1.00 0.00 H new ATOM 882 N GLU A 57 11.501 0.949 -0.700 1.00 0.00 N ATOM 883 CA GLU A 57 12.615 1.535 0.086 1.00 0.00 C ATOM 884 C GLU A 57 13.562 2.227 -0.864 1.00 0.00 C ATOM 885 O GLU A 57 14.069 3.299 -0.599 1.00 0.00 O ATOM 886 CB GLU A 57 13.345 0.402 0.862 1.00 0.00 C ATOM 887 CG GLU A 57 14.319 -0.354 -0.046 1.00 0.00 C ATOM 888 CD GLU A 57 14.840 -1.588 0.694 1.00 0.00 C ATOM 889 OE1 GLU A 57 14.967 -1.480 1.902 1.00 0.00 O ATOM 890 OE2 GLU A 57 15.081 -2.568 0.012 1.00 0.00 O ATOM 0 H GLU A 57 11.423 -0.068 -0.686 1.00 0.00 H new ATOM 0 HA GLU A 57 12.237 2.261 0.806 1.00 0.00 H new ATOM 0 HB2 GLU A 57 13.887 0.827 1.707 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.612 -0.293 1.271 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.819 -0.652 -0.968 1.00 0.00 H new ATOM 0 HG3 GLU A 57 15.149 0.293 -0.328 1.00 0.00 H new ATOM 897 N LYS A 58 13.773 1.578 -1.951 1.00 0.00 N ATOM 898 CA LYS A 58 14.673 2.121 -2.990 1.00 0.00 C ATOM 899 C LYS A 58 14.130 3.441 -3.512 1.00 0.00 C ATOM 900 O LYS A 58 14.841 4.422 -3.593 1.00 0.00 O ATOM 901 CB LYS A 58 14.726 1.096 -4.157 1.00 0.00 C ATOM 902 CG LYS A 58 15.734 1.563 -5.243 1.00 0.00 C ATOM 903 CD LYS A 58 17.146 1.079 -4.883 1.00 0.00 C ATOM 904 CE LYS A 58 18.166 1.850 -5.724 1.00 0.00 C ATOM 905 NZ LYS A 58 17.648 2.058 -7.105 1.00 0.00 N ATOM 0 H LYS A 58 13.355 0.675 -2.175 1.00 0.00 H new ATOM 0 HA LYS A 58 15.666 2.290 -2.573 1.00 0.00 H new ATOM 0 HB2 LYS A 58 15.019 0.117 -3.777 1.00 0.00 H new ATOM 0 HB3 LYS A 58 13.735 0.984 -4.596 1.00 0.00 H new ATOM 0 HG2 LYS A 58 15.442 1.170 -6.217 1.00 0.00 H new ATOM 0 HG3 LYS A 58 15.721 2.650 -5.321 1.00 0.00 H new ATOM 0 HD2 LYS A 58 17.338 1.235 -3.822 1.00 0.00 H new ATOM 0 HD3 LYS A 58 17.236 0.009 -5.069 1.00 0.00 H new ATOM 0 HE2 LYS A 58 18.377 2.813 -5.259 1.00 0.00 H new ATOM 0 HE3 LYS A 58 19.107 1.301 -5.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 18.439 2.281 -7.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 17.173 1.192 -7.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 16.970 2.846 -7.106 1.00 0.00 H new ATOM 919 N LYS A 59 12.878 3.440 -3.858 1.00 0.00 N ATOM 920 CA LYS A 59 12.262 4.665 -4.375 1.00 0.00 C ATOM 921 C LYS A 59 12.474 5.784 -3.401 1.00 0.00 C ATOM 922 O LYS A 59 13.067 6.798 -3.710 1.00 0.00 O ATOM 923 CB LYS A 59 10.762 4.391 -4.492 1.00 0.00 C ATOM 924 CG LYS A 59 10.002 5.689 -4.799 1.00 0.00 C ATOM 925 CD LYS A 59 8.561 5.345 -5.211 1.00 0.00 C ATOM 926 CE LYS A 59 8.551 4.580 -6.558 1.00 0.00 C ATOM 927 NZ LYS A 59 9.731 4.950 -7.388 1.00 0.00 N ATOM 0 H LYS A 59 12.258 2.632 -3.801 1.00 0.00 H new ATOM 0 HA LYS A 59 12.696 4.943 -5.335 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.580 3.661 -5.280 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.392 3.957 -3.563 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.998 6.338 -3.923 1.00 0.00 H new ATOM 0 HG3 LYS A 59 10.501 6.236 -5.599 1.00 0.00 H new ATOM 0 HD2 LYS A 59 8.090 4.738 -4.438 1.00 0.00 H new ATOM 0 HD3 LYS A 59 7.974 6.259 -5.300 1.00 0.00 H new ATOM 0 HE2 LYS A 59 8.555 3.506 -6.371 1.00 0.00 H new ATOM 0 HE3 LYS A 59 7.634 4.805 -7.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 9.558 4.680 -8.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 9.887 5.977 -7.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 10.573 4.452 -7.035 1.00 0.00 H new ATOM 941 N ALA A 60 11.972 5.573 -2.239 1.00 0.00 N ATOM 942 CA ALA A 60 12.107 6.589 -1.190 1.00 0.00 C ATOM 943 C ALA A 60 13.540 7.092 -1.090 1.00 0.00 C ATOM 944 O ALA A 60 13.768 8.225 -0.746 1.00 0.00 O ATOM 945 CB ALA A 60 11.710 5.950 0.146 1.00 0.00 C ATOM 0 H ALA A 60 11.467 4.730 -1.966 1.00 0.00 H new ATOM 0 HA ALA A 60 11.465 7.436 -1.431 1.00 0.00 H new ATOM 0 HB1 ALA A 60 11.802 6.687 0.944 1.00 0.00 H new ATOM 0 HB2 ALA A 60 10.678 5.602 0.091 1.00 0.00 H new ATOM 0 HB3 ALA A 60 12.367 5.105 0.355 1.00 0.00 H new