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= -0.651 USER MOD Single : A 19 SER OG : rot -34:sc= 0.12! USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 161:sc= -0.0246 (180deg=-0.254) USER MOD Single : A 26 LYS NZ :NH3+ -163:sc= -0.0348 (180deg=-0.334) USER MOD Single : A 29 HIS : no HD1:sc= -0.361 X(o=-0.36,f=-0.0088) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -159:sc= -0.054 (180deg=-0.409) USER MOD Single : A 44 MET CE :methyl -167:sc= -0.687 (180deg=-1.23) USER MOD Single : A 46 ASN : amide:sc= -0.188 K(o=-0.19,f=-2.4!) USER MOD Single : A 47 ASN : amide:sc= -0.888 X(o=-0.89,f=-0.52) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.028 USER MOD Single : A 53 LYS NZ :NH3+ -107:sc= 0.616 (180deg=0.00475) USER MOD Single : A 54 GLN : amide:sc= -0.285 X(o=-0.29,f=-0.5!) USER MOD Single : A 56 TYR OH : rot -111:sc= -0.342 USER MOD Single : A 58 LYS NZ :NH3+ 156:sc= -0.0407 (180deg=-0.807) USER MOD Single : A 59 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.236) USER MOD ----------------------------------------------------------------- ATOM 183 N SER A 12 6.592 7.411 4.927 1.00 0.00 N ATOM 184 CA SER A 12 6.637 5.989 5.369 1.00 0.00 C ATOM 185 C SER A 12 6.842 5.080 4.167 1.00 0.00 C ATOM 186 O SER A 12 6.320 5.331 3.100 1.00 0.00 O ATOM 187 CB SER A 12 5.297 5.633 6.046 1.00 0.00 C ATOM 188 OG SER A 12 5.601 4.486 6.828 1.00 0.00 O ATOM 0 HA SER A 12 7.462 5.853 6.069 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.932 6.453 6.665 1.00 0.00 H new ATOM 0 HB3 SER A 12 4.522 5.420 5.310 1.00 0.00 H new ATOM 0 HG SER A 12 4.795 4.189 7.300 1.00 0.00 H new ATOM 194 N ALA A 13 7.593 4.039 4.358 1.00 0.00 N ATOM 195 CA ALA A 13 7.837 3.115 3.239 1.00 0.00 C ATOM 196 C ALA A 13 6.540 2.669 2.608 1.00 0.00 C ATOM 197 O ALA A 13 6.477 2.424 1.420 1.00 0.00 O ATOM 198 CB ALA A 13 8.567 1.880 3.779 1.00 0.00 C ATOM 0 H ALA A 13 8.045 3.793 5.239 1.00 0.00 H new ATOM 0 HA ALA A 13 8.433 3.629 2.485 1.00 0.00 H new ATOM 0 HB1 ALA A 13 8.756 1.183 2.962 1.00 0.00 H new ATOM 0 HB2 ALA A 13 9.515 2.183 4.224 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.950 1.394 4.535 1.00 0.00 H new ATOM 204 N PHE A 14 5.513 2.566 3.412 1.00 0.00 N ATOM 205 CA PHE A 14 4.195 2.128 2.868 1.00 0.00 C ATOM 206 C PHE A 14 3.358 3.320 2.405 1.00 0.00 C ATOM 207 O PHE A 14 2.377 3.150 1.740 1.00 0.00 O ATOM 208 CB PHE A 14 3.468 1.289 3.984 1.00 0.00 C ATOM 209 CG PHE A 14 2.031 1.754 4.267 1.00 0.00 C ATOM 210 CD1 PHE A 14 1.795 3.023 4.721 1.00 0.00 C ATOM 211 CD2 PHE A 14 0.955 0.883 4.084 1.00 0.00 C ATOM 212 CE1 PHE A 14 0.512 3.445 4.996 1.00 0.00 C ATOM 213 CE2 PHE A 14 -0.332 1.297 4.358 1.00 0.00 C ATOM 214 CZ PHE A 14 -0.555 2.582 4.815 1.00 0.00 C ATOM 0 H PHE A 14 5.530 2.764 4.412 1.00 0.00 H new ATOM 0 HA PHE A 14 4.339 1.508 1.983 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.449 0.241 3.684 1.00 0.00 H new ATOM 0 HB3 PHE A 14 4.048 1.347 4.905 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.623 3.701 4.865 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.131 -0.121 3.726 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.339 4.450 5.353 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.161 0.620 4.216 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.560 2.912 5.031 1.00 0.00 H new ATOM 224 N PHE A 15 3.731 4.502 2.782 1.00 0.00 N ATOM 225 CA PHE A 15 2.918 5.652 2.323 1.00 0.00 C ATOM 226 C PHE A 15 3.005 5.680 0.819 1.00 0.00 C ATOM 227 O PHE A 15 2.080 6.064 0.118 1.00 0.00 O ATOM 228 CB PHE A 15 3.498 6.960 2.897 1.00 0.00 C ATOM 229 CG PHE A 15 2.694 8.141 2.344 1.00 0.00 C ATOM 230 CD1 PHE A 15 1.335 8.242 2.594 1.00 0.00 C ATOM 231 CD2 PHE A 15 3.308 9.110 1.572 1.00 0.00 C ATOM 232 CE1 PHE A 15 0.607 9.287 2.079 1.00 0.00 C ATOM 233 CE2 PHE A 15 2.575 10.160 1.058 1.00 0.00 C ATOM 234 CZ PHE A 15 1.225 10.248 1.312 1.00 0.00 C ATOM 0 H PHE A 15 4.536 4.720 3.369 1.00 0.00 H new ATOM 0 HA PHE A 15 1.884 5.557 2.655 1.00 0.00 H new ATOM 0 HB2 PHE A 15 3.451 6.948 3.986 1.00 0.00 H new ATOM 0 HB3 PHE A 15 4.549 7.058 2.625 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.844 7.493 3.198 1.00 0.00 H new ATOM 0 HD2 PHE A 15 4.367 9.045 1.370 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.453 9.354 2.277 1.00 0.00 H new ATOM 0 HE2 PHE A 15 3.061 10.913 0.456 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.652 11.070 0.910 1.00 0.00 H new ATOM 244 N LEU A 16 4.129 5.229 0.360 1.00 0.00 N ATOM 245 CA LEU A 16 4.390 5.178 -1.077 1.00 0.00 C ATOM 246 C LEU A 16 3.551 4.066 -1.683 1.00 0.00 C ATOM 247 O LEU A 16 3.178 4.103 -2.839 1.00 0.00 O ATOM 248 CB LEU A 16 5.884 4.813 -1.265 1.00 0.00 C ATOM 249 CG LEU A 16 6.776 5.668 -0.334 1.00 0.00 C ATOM 250 CD1 LEU A 16 8.234 5.163 -0.428 1.00 0.00 C ATOM 251 CD2 LEU A 16 6.708 7.143 -0.763 1.00 0.00 C ATOM 0 H LEU A 16 4.892 4.887 0.944 1.00 0.00 H new ATOM 0 HA LEU A 16 4.152 6.131 -1.550 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.035 3.755 -1.051 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.175 4.973 -2.303 1.00 0.00 H new ATOM 0 HG LEU A 16 6.424 5.581 0.694 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.869 5.761 0.226 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.278 4.118 -0.120 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.585 5.253 -1.456 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.337 7.743 -0.105 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.060 7.240 -1.790 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.678 7.494 -0.698 1.00 0.00 H new ATOM 263 N PHE A 17 3.279 3.093 -0.861 1.00 0.00 N ATOM 264 CA PHE A 17 2.475 1.934 -1.295 1.00 0.00 C ATOM 265 C PHE A 17 0.988 2.272 -1.260 1.00 0.00 C ATOM 266 O PHE A 17 0.236 1.894 -2.133 1.00 0.00 O ATOM 267 CB PHE A 17 2.782 0.821 -0.290 1.00 0.00 C ATOM 268 CG PHE A 17 1.955 -0.402 -0.547 1.00 0.00 C ATOM 269 CD1 PHE A 17 0.687 -0.500 -0.013 1.00 0.00 C ATOM 270 CD2 PHE A 17 2.496 -1.480 -1.211 1.00 0.00 C ATOM 271 CE1 PHE A 17 -0.023 -1.662 -0.131 1.00 0.00 C ATOM 272 CE2 PHE A 17 1.782 -2.642 -1.330 1.00 0.00 C ATOM 273 CZ PHE A 17 0.523 -2.733 -0.785 1.00 0.00 C ATOM 0 H PHE A 17 3.589 3.058 0.110 1.00 0.00 H new ATOM 0 HA PHE A 17 2.716 1.640 -2.317 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.840 0.563 -0.345 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.594 1.182 0.721 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.253 0.345 0.501 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.485 -1.409 -1.639 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.014 -1.735 0.292 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.207 -3.487 -1.852 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.037 -3.652 -0.873 1.00 0.00 H new ATOM 283 N CYS A 18 0.598 2.972 -0.240 1.00 0.00 N ATOM 284 CA CYS A 18 -0.815 3.359 -0.104 1.00 0.00 C ATOM 285 C CYS A 18 -1.366 3.913 -1.415 1.00 0.00 C ATOM 286 O CYS A 18 -2.369 3.450 -1.918 1.00 0.00 O ATOM 287 CB CYS A 18 -0.900 4.467 0.980 1.00 0.00 C ATOM 288 SG CYS A 18 -2.518 4.782 1.727 1.00 0.00 S ATOM 0 H CYS A 18 1.209 3.294 0.511 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.402 2.482 0.169 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.205 4.210 1.779 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.547 5.398 0.538 1.00 0.00 H new ATOM 0 HG CYS A 18 -2.411 5.731 2.609 1.00 0.00 H new ATOM 294 N SER A 19 -0.694 4.897 -1.938 1.00 0.00 N ATOM 295 CA SER A 19 -1.150 5.502 -3.209 1.00 0.00 C ATOM 296 C SER A 19 -1.120 4.507 -4.369 1.00 0.00 C ATOM 297 O SER A 19 -1.774 4.710 -5.372 1.00 0.00 O ATOM 298 CB SER A 19 -0.206 6.664 -3.543 1.00 0.00 C ATOM 299 OG SER A 19 -0.741 7.215 -4.737 1.00 0.00 O ATOM 0 H SER A 19 0.150 5.306 -1.538 1.00 0.00 H new ATOM 0 HA SER A 19 -2.181 5.832 -3.080 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.182 7.401 -2.740 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.817 6.317 -3.688 1.00 0.00 H new ATOM 0 HG SER A 19 -1.128 6.499 -5.283 1.00 0.00 H new ATOM 305 N GLU A 20 -0.364 3.450 -4.220 1.00 0.00 N ATOM 306 CA GLU A 20 -0.285 2.443 -5.312 1.00 0.00 C ATOM 307 C GLU A 20 -1.417 1.404 -5.246 1.00 0.00 C ATOM 308 O GLU A 20 -2.085 1.170 -6.228 1.00 0.00 O ATOM 309 CB GLU A 20 1.080 1.715 -5.195 1.00 0.00 C ATOM 310 CG GLU A 20 1.118 0.497 -6.136 1.00 0.00 C ATOM 311 CD GLU A 20 0.628 0.902 -7.532 1.00 0.00 C ATOM 312 OE1 GLU A 20 1.016 1.980 -7.950 1.00 0.00 O ATOM 313 OE2 GLU A 20 -0.107 0.110 -8.098 1.00 0.00 O ATOM 0 H GLU A 20 0.198 3.244 -3.394 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.386 2.965 -6.263 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.889 2.402 -5.445 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.241 1.393 -4.166 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.133 0.105 -6.197 1.00 0.00 H new ATOM 0 HG3 GLU A 20 0.491 -0.301 -5.738 1.00 0.00 H new ATOM 320 N TYR A 21 -1.597 0.786 -4.098 1.00 0.00 N ATOM 321 CA TYR A 21 -2.677 -0.239 -3.967 1.00 0.00 C ATOM 322 C TYR A 21 -3.997 0.348 -3.501 1.00 0.00 C ATOM 323 O TYR A 21 -4.838 -0.358 -2.990 1.00 0.00 O ATOM 324 CB TYR A 21 -2.199 -1.281 -2.940 1.00 0.00 C ATOM 325 CG TYR A 21 -1.223 -2.233 -3.611 1.00 0.00 C ATOM 326 CD1 TYR A 21 0.113 -1.914 -3.686 1.00 0.00 C ATOM 327 CD2 TYR A 21 -1.662 -3.421 -4.151 1.00 0.00 C ATOM 328 CE1 TYR A 21 1.003 -2.771 -4.295 1.00 0.00 C ATOM 329 CE2 TYR A 21 -0.774 -4.281 -4.761 1.00 0.00 C ATOM 330 CZ TYR A 21 0.566 -3.962 -4.838 1.00 0.00 C ATOM 331 OH TYR A 21 1.456 -4.820 -5.448 1.00 0.00 O ATOM 0 H TYR A 21 -1.046 0.948 -3.255 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.858 -0.677 -4.949 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.719 -0.784 -2.097 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -3.050 -1.834 -2.542 1.00 0.00 H new ATOM 0 HD1 TYR A 21 0.467 -0.985 -3.264 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -2.709 -3.681 -4.096 1.00 0.00 H new ATOM 0 HE1 TYR A 21 2.049 -2.509 -4.348 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.129 -5.210 -5.181 1.00 0.00 H new ATOM 0 HH TYR A 21 0.977 -5.611 -5.773 1.00 0.00 H new ATOM 341 N ARG A 22 -4.169 1.608 -3.692 1.00 0.00 N ATOM 342 CA ARG A 22 -5.446 2.237 -3.256 1.00 0.00 C ATOM 343 C ARG A 22 -6.602 1.920 -4.256 1.00 0.00 C ATOM 344 O ARG A 22 -7.699 1.602 -3.844 1.00 0.00 O ATOM 345 CB ARG A 22 -5.235 3.796 -3.133 1.00 0.00 C ATOM 346 CG ARG A 22 -5.520 4.262 -1.685 1.00 0.00 C ATOM 347 CD ARG A 22 -5.606 5.793 -1.660 1.00 0.00 C ATOM 348 NE ARG A 22 -6.015 6.237 -0.297 1.00 0.00 N ATOM 349 CZ ARG A 22 -6.456 7.457 -0.123 1.00 0.00 C ATOM 350 NH1 ARG A 22 -6.529 8.258 -1.152 1.00 0.00 N ATOM 351 NH2 ARG A 22 -6.805 7.836 1.076 1.00 0.00 N ATOM 0 H ARG A 22 -3.493 2.236 -4.127 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.730 1.827 -2.287 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.214 4.055 -3.412 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.896 4.316 -3.827 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.453 3.827 -1.326 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -4.730 3.918 -1.017 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.642 6.228 -1.924 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.326 6.141 -2.401 1.00 0.00 H new ATOM 0 HE ARG A 22 -5.952 5.595 0.493 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.244 7.930 -2.075 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -6.871 9.212 -1.033 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -6.732 7.185 1.858 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -7.151 8.783 1.231 1.00 0.00 H new ATOM 365 N PRO A 23 -6.325 2.020 -5.562 1.00 0.00 N ATOM 366 CA PRO A 23 -7.340 1.744 -6.585 1.00 0.00 C ATOM 367 C PRO A 23 -7.497 0.229 -6.823 1.00 0.00 C ATOM 368 O PRO A 23 -8.573 -0.243 -7.134 1.00 0.00 O ATOM 369 CB PRO A 23 -6.783 2.424 -7.874 1.00 0.00 C ATOM 370 CG PRO A 23 -5.288 2.789 -7.582 1.00 0.00 C ATOM 371 CD PRO A 23 -5.020 2.442 -6.092 1.00 0.00 C ATOM 0 HA PRO A 23 -8.322 2.116 -6.291 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -6.857 1.752 -8.729 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -7.358 3.317 -8.120 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -4.619 2.228 -8.235 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -5.105 3.847 -7.771 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -4.280 1.647 -5.998 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -4.633 3.304 -5.549 1.00 0.00 H new ATOM 379 N LYS A 24 -6.415 -0.493 -6.667 1.00 0.00 N ATOM 380 CA LYS A 24 -6.475 -1.957 -6.878 1.00 0.00 C ATOM 381 C LYS A 24 -7.647 -2.554 -6.136 1.00 0.00 C ATOM 382 O LYS A 24 -8.462 -3.250 -6.707 1.00 0.00 O ATOM 383 CB LYS A 24 -5.178 -2.578 -6.330 1.00 0.00 C ATOM 384 CG LYS A 24 -3.979 -2.137 -7.198 1.00 0.00 C ATOM 385 CD LYS A 24 -3.899 -3.000 -8.469 1.00 0.00 C ATOM 386 CE LYS A 24 -2.552 -2.754 -9.151 1.00 0.00 C ATOM 387 NZ LYS A 24 -1.452 -3.416 -8.391 1.00 0.00 N ATOM 0 H LYS A 24 -5.500 -0.127 -6.404 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.590 -2.161 -7.942 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.024 -2.268 -5.296 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.257 -3.665 -6.328 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.083 -1.086 -7.469 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.054 -2.229 -6.628 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.006 -4.055 -8.216 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.716 -2.750 -9.146 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.579 -3.137 -10.171 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.362 -1.683 -9.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.620 -3.522 -9.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.201 -2.835 -7.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.767 -4.354 -8.071 1.00 0.00 H new ATOM 401 N ILE A 25 -7.708 -2.274 -4.871 1.00 0.00 N ATOM 402 CA ILE A 25 -8.812 -2.806 -4.054 1.00 0.00 C ATOM 403 C ILE A 25 -10.065 -1.940 -4.238 1.00 0.00 C ATOM 404 O ILE A 25 -11.099 -2.424 -4.652 1.00 0.00 O ATOM 405 CB ILE A 25 -8.367 -2.799 -2.558 1.00 0.00 C ATOM 406 CG1 ILE A 25 -7.260 -1.747 -2.334 1.00 0.00 C ATOM 407 CG2 ILE A 25 -7.800 -4.201 -2.195 1.00 0.00 C ATOM 408 CD1 ILE A 25 -7.187 -1.372 -0.841 1.00 0.00 C ATOM 0 H ILE A 25 -7.034 -1.696 -4.369 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.050 -3.823 -4.364 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.226 -2.557 -1.932 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.299 -2.141 -2.666 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.464 -0.859 -2.931 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -7.486 -4.207 -1.151 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -8.572 -4.956 -2.346 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -6.945 -4.424 -2.833 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -6.404 -0.629 -0.690 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.144 -0.960 -0.522 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -6.961 -2.262 -0.253 1.00 0.00 H new ATOM 420 N LYS A 26 -9.945 -0.674 -3.929 1.00 0.00 N ATOM 421 CA LYS A 26 -11.115 0.224 -4.082 1.00 0.00 C ATOM 422 C LYS A 26 -11.713 0.046 -5.472 1.00 0.00 C ATOM 423 O LYS A 26 -12.865 0.346 -5.709 1.00 0.00 O ATOM 424 CB LYS A 26 -10.634 1.688 -3.902 1.00 0.00 C ATOM 425 CG LYS A 26 -11.842 2.659 -3.889 1.00 0.00 C ATOM 426 CD LYS A 26 -12.467 2.707 -2.486 1.00 0.00 C ATOM 427 CE LYS A 26 -13.652 3.683 -2.497 1.00 0.00 C ATOM 428 NZ LYS A 26 -13.186 5.079 -2.737 1.00 0.00 N ATOM 0 H LYS A 26 -9.094 -0.232 -3.581 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.874 -0.014 -3.337 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -10.075 1.781 -2.971 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -9.954 1.955 -4.711 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -11.519 3.657 -4.186 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -12.587 2.335 -4.616 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -12.801 1.713 -2.189 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -11.724 3.025 -1.754 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -14.361 3.393 -3.273 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -14.181 3.630 -1.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -13.934 5.747 -2.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -12.332 5.262 -2.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -12.967 5.203 -3.746 1.00 0.00 H new ATOM 442 N GLY A 27 -10.916 -0.471 -6.362 1.00 0.00 N ATOM 443 CA GLY A 27 -11.409 -0.682 -7.738 1.00 0.00 C ATOM 444 C GLY A 27 -12.568 -1.660 -7.705 1.00 0.00 C ATOM 445 O GLY A 27 -13.692 -1.317 -8.018 1.00 0.00 O ATOM 0 H GLY A 27 -9.951 -0.754 -6.193 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -11.728 0.265 -8.172 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -10.609 -1.068 -8.369 1.00 0.00 H new ATOM 449 N GLU A 28 -12.269 -2.863 -7.315 1.00 0.00 N ATOM 450 CA GLU A 28 -13.315 -3.885 -7.244 1.00 0.00 C ATOM 451 C GLU A 28 -14.200 -3.617 -6.035 1.00 0.00 C ATOM 452 O GLU A 28 -15.136 -4.344 -5.764 1.00 0.00 O ATOM 453 CB GLU A 28 -12.627 -5.255 -7.084 1.00 0.00 C ATOM 454 CG GLU A 28 -12.166 -5.761 -8.456 1.00 0.00 C ATOM 455 CD GLU A 28 -11.650 -7.194 -8.315 1.00 0.00 C ATOM 456 OE1 GLU A 28 -10.812 -7.386 -7.448 1.00 0.00 O ATOM 457 OE2 GLU A 28 -12.124 -8.018 -9.081 1.00 0.00 O ATOM 0 H GLU A 28 -11.336 -3.174 -7.043 1.00 0.00 H new ATOM 0 HA GLU A 28 -13.929 -3.869 -8.144 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.774 -5.169 -6.411 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -13.316 -5.969 -6.634 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.992 -5.727 -9.166 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.381 -5.116 -8.850 1.00 0.00 H new ATOM 464 N HIS A 29 -13.873 -2.558 -5.327 1.00 0.00 N ATOM 465 CA HIS A 29 -14.656 -2.180 -4.119 1.00 0.00 C ATOM 466 C HIS A 29 -14.914 -0.661 -4.106 1.00 0.00 C ATOM 467 O HIS A 29 -14.368 0.052 -3.288 1.00 0.00 O ATOM 468 CB HIS A 29 -13.796 -2.523 -2.897 1.00 0.00 C ATOM 469 CG HIS A 29 -13.699 -4.042 -2.729 1.00 0.00 C ATOM 470 ND1 HIS A 29 -14.348 -4.708 -1.898 1.00 0.00 N ATOM 471 CD2 HIS A 29 -12.905 -4.957 -3.395 1.00 0.00 C ATOM 472 CE1 HIS A 29 -14.055 -5.939 -1.958 1.00 0.00 C ATOM 473 NE2 HIS A 29 -13.137 -6.200 -2.890 1.00 0.00 N ATOM 0 H HIS A 29 -13.091 -1.940 -5.542 1.00 0.00 H new ATOM 0 HA HIS A 29 -15.610 -2.707 -4.113 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -12.799 -2.098 -3.014 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -14.229 -2.078 -2.001 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -12.211 -4.723 -4.189 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -14.499 -6.693 -1.325 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -12.720 -7.093 -3.154 1.00 0.00 H new ATOM 481 N PRO A 30 -15.746 -0.191 -5.028 1.00 0.00 N ATOM 482 CA PRO A 30 -16.056 1.235 -5.104 1.00 0.00 C ATOM 483 C PRO A 30 -16.864 1.696 -3.877 1.00 0.00 C ATOM 484 O PRO A 30 -18.050 1.946 -3.961 1.00 0.00 O ATOM 485 CB PRO A 30 -16.892 1.390 -6.423 1.00 0.00 C ATOM 486 CG PRO A 30 -17.189 -0.055 -6.950 1.00 0.00 C ATOM 487 CD PRO A 30 -16.413 -1.041 -6.035 1.00 0.00 C ATOM 0 HA PRO A 30 -15.156 1.850 -5.113 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -17.820 1.928 -6.230 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -16.338 1.965 -7.165 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -18.259 -0.263 -6.922 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -16.871 -0.160 -7.987 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -17.088 -1.755 -5.563 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -15.686 -1.619 -6.606 1.00 0.00 H new ATOM 495 N GLY A 31 -16.201 1.788 -2.748 1.00 0.00 N ATOM 496 CA GLY A 31 -16.928 2.233 -1.521 1.00 0.00 C ATOM 497 C GLY A 31 -16.220 1.779 -0.239 1.00 0.00 C ATOM 498 O GLY A 31 -16.863 1.552 0.765 1.00 0.00 O ATOM 0 H GLY A 31 -15.210 1.579 -2.625 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -17.012 3.320 -1.523 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -17.942 1.834 -1.536 1.00 0.00 H new ATOM 502 N LEU A 32 -14.918 1.651 -0.281 1.00 0.00 N ATOM 503 CA LEU A 32 -14.217 1.214 0.956 1.00 0.00 C ATOM 504 C LEU A 32 -14.253 2.311 1.988 1.00 0.00 C ATOM 505 O LEU A 32 -14.386 3.476 1.667 1.00 0.00 O ATOM 506 CB LEU A 32 -12.701 0.954 0.672 1.00 0.00 C ATOM 507 CG LEU A 32 -12.437 -0.385 -0.041 1.00 0.00 C ATOM 508 CD1 LEU A 32 -10.915 -0.634 -0.005 1.00 0.00 C ATOM 509 CD2 LEU A 32 -13.137 -1.539 0.700 1.00 0.00 C ATOM 0 H LEU A 32 -14.327 1.825 -1.094 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.718 0.310 1.303 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.308 1.767 0.061 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -12.154 0.970 1.614 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.817 -0.341 -1.062 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.689 -1.577 -0.503 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.401 0.179 -0.518 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.578 -0.680 1.031 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.939 -2.477 0.182 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.757 -1.601 1.720 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -14.211 -1.357 0.724 1.00 0.00 H new ATOM 521 N SER A 33 -14.134 1.917 3.219 1.00 0.00 N ATOM 522 CA SER A 33 -14.146 2.898 4.301 1.00 0.00 C ATOM 523 C SER A 33 -12.711 3.304 4.554 1.00 0.00 C ATOM 524 O SER A 33 -11.824 2.475 4.494 1.00 0.00 O ATOM 525 CB SER A 33 -14.723 2.242 5.566 1.00 0.00 C ATOM 526 OG SER A 33 -15.766 1.411 5.079 1.00 0.00 O ATOM 0 H SER A 33 -14.029 0.946 3.513 1.00 0.00 H new ATOM 0 HA SER A 33 -14.753 3.765 4.041 1.00 0.00 H new ATOM 0 HB2 SER A 33 -13.966 1.663 6.096 1.00 0.00 H new ATOM 0 HB3 SER A 33 -15.101 2.988 6.265 1.00 0.00 H new ATOM 0 HG SER A 33 -16.192 0.947 5.830 1.00 0.00 H new ATOM 532 N ILE A 34 -12.486 4.552 4.818 1.00 0.00 N ATOM 533 CA ILE A 34 -11.087 4.992 5.071 1.00 0.00 C ATOM 534 C ILE A 34 -10.377 4.021 5.989 1.00 0.00 C ATOM 535 O ILE A 34 -9.173 3.861 5.925 1.00 0.00 O ATOM 536 CB ILE A 34 -11.120 6.367 5.732 1.00 0.00 C ATOM 537 CG1 ILE A 34 -11.866 7.385 4.830 1.00 0.00 C ATOM 538 CG2 ILE A 34 -9.663 6.835 5.973 1.00 0.00 C ATOM 539 CD1 ILE A 34 -10.952 7.924 3.707 1.00 0.00 C ATOM 0 H ILE A 34 -13.196 5.282 4.870 1.00 0.00 H new ATOM 0 HA ILE A 34 -10.550 5.032 4.123 1.00 0.00 H new ATOM 0 HB ILE A 34 -11.652 6.304 6.681 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -12.742 6.909 4.390 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -12.226 8.215 5.438 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.670 7.817 6.445 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -9.155 6.123 6.624 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -9.138 6.894 5.020 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -11.508 8.634 3.095 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -10.089 8.423 4.148 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -10.613 7.096 3.084 1.00 0.00 H new ATOM 551 N GLY A 35 -11.132 3.387 6.827 1.00 0.00 N ATOM 552 CA GLY A 35 -10.519 2.417 7.754 1.00 0.00 C ATOM 553 C GLY A 35 -10.119 1.160 6.980 1.00 0.00 C ATOM 554 O GLY A 35 -9.035 0.657 7.138 1.00 0.00 O ATOM 0 H GLY A 35 -12.143 3.498 6.910 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.644 2.857 8.232 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -11.221 2.161 8.547 1.00 0.00 H new ATOM 558 N ASP A 36 -11.006 0.697 6.134 1.00 0.00 N ATOM 559 CA ASP A 36 -10.702 -0.519 5.344 1.00 0.00 C ATOM 560 C ASP A 36 -9.559 -0.275 4.389 1.00 0.00 C ATOM 561 O ASP A 36 -8.677 -1.094 4.241 1.00 0.00 O ATOM 562 CB ASP A 36 -11.961 -0.883 4.519 1.00 0.00 C ATOM 563 CG ASP A 36 -11.977 -2.388 4.215 1.00 0.00 C ATOM 564 OD1 ASP A 36 -10.997 -3.025 4.561 1.00 0.00 O ATOM 565 OD2 ASP A 36 -12.971 -2.814 3.653 1.00 0.00 O ATOM 0 H ASP A 36 -11.922 1.112 5.962 1.00 0.00 H new ATOM 0 HA ASP A 36 -10.421 -1.323 6.024 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -12.859 -0.606 5.071 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -11.971 -0.316 3.588 1.00 0.00 H new ATOM 570 N VAL A 37 -9.600 0.846 3.762 1.00 0.00 N ATOM 571 CA VAL A 37 -8.539 1.179 2.809 1.00 0.00 C ATOM 572 C VAL A 37 -7.196 1.090 3.472 1.00 0.00 C ATOM 573 O VAL A 37 -6.366 0.292 3.109 1.00 0.00 O ATOM 574 CB VAL A 37 -8.756 2.637 2.353 1.00 0.00 C ATOM 575 CG1 VAL A 37 -7.619 3.042 1.423 1.00 0.00 C ATOM 576 CG2 VAL A 37 -10.089 2.748 1.624 1.00 0.00 C ATOM 0 H VAL A 37 -10.329 1.551 3.870 1.00 0.00 H new ATOM 0 HA VAL A 37 -8.571 0.485 1.969 1.00 0.00 H new ATOM 0 HB VAL A 37 -8.769 3.299 3.219 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -7.765 4.072 1.096 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.670 2.961 1.952 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -7.608 2.384 0.554 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -10.243 3.778 1.302 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -10.083 2.092 0.753 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -10.896 2.453 2.295 1.00 0.00 H new ATOM 586 N ALA A 38 -7.021 1.898 4.441 1.00 0.00 N ATOM 587 CA ALA A 38 -5.749 1.905 5.160 1.00 0.00 C ATOM 588 C ALA A 38 -5.442 0.555 5.825 1.00 0.00 C ATOM 589 O ALA A 38 -4.290 0.184 5.945 1.00 0.00 O ATOM 590 CB ALA A 38 -5.833 3.007 6.199 1.00 0.00 C ATOM 0 H ALA A 38 -7.714 2.568 4.775 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.934 2.081 4.458 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.900 3.048 6.762 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.000 3.963 5.703 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.659 2.803 6.880 1.00 0.00 H new ATOM 596 N LYS A 39 -6.460 -0.166 6.247 1.00 0.00 N ATOM 597 CA LYS A 39 -6.180 -1.477 6.890 1.00 0.00 C ATOM 598 C LYS A 39 -5.684 -2.468 5.842 1.00 0.00 C ATOM 599 O LYS A 39 -4.628 -3.054 5.981 1.00 0.00 O ATOM 600 CB LYS A 39 -7.495 -2.020 7.550 1.00 0.00 C ATOM 601 CG LYS A 39 -7.474 -1.739 9.072 1.00 0.00 C ATOM 602 CD LYS A 39 -7.554 -0.216 9.333 1.00 0.00 C ATOM 603 CE LYS A 39 -6.912 0.105 10.691 1.00 0.00 C ATOM 604 NZ LYS A 39 -6.978 1.569 10.968 1.00 0.00 N ATOM 0 H LYS A 39 -7.443 0.094 6.173 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.413 -1.352 7.654 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -8.364 -1.544 7.095 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.587 -3.091 7.370 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.312 -2.243 9.554 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.563 -2.144 9.512 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.042 0.327 8.539 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.594 0.111 9.324 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -7.425 -0.444 11.481 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.873 -0.225 10.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -6.540 1.768 11.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -6.469 2.087 10.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.972 1.875 10.984 1.00 0.00 H new ATOM 618 N LYS A 40 -6.456 -2.627 4.816 1.00 0.00 N ATOM 619 CA LYS A 40 -6.066 -3.562 3.746 1.00 0.00 C ATOM 620 C LYS A 40 -4.661 -3.245 3.267 1.00 0.00 C ATOM 621 O LYS A 40 -3.864 -4.122 3.044 1.00 0.00 O ATOM 622 CB LYS A 40 -7.046 -3.393 2.576 1.00 0.00 C ATOM 623 CG LYS A 40 -8.379 -4.062 2.939 1.00 0.00 C ATOM 624 CD LYS A 40 -9.299 -4.060 1.716 1.00 0.00 C ATOM 625 CE LYS A 40 -10.492 -4.983 1.981 1.00 0.00 C ATOM 626 NZ LYS A 40 -10.059 -6.410 1.979 1.00 0.00 N ATOM 0 H LYS A 40 -7.344 -2.147 4.673 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.090 -4.585 4.123 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.201 -2.335 2.365 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.634 -3.841 1.672 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.206 -5.084 3.276 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.852 -3.530 3.765 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.646 -3.048 1.509 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.753 -4.396 0.835 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.945 -4.736 2.941 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.256 -4.828 1.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.881 -7.022 1.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.351 -6.557 1.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.642 -6.648 2.902 1.00 0.00 H new ATOM 640 N LEU A 41 -4.383 -1.994 3.109 1.00 0.00 N ATOM 641 CA LEU A 41 -3.037 -1.619 2.648 1.00 0.00 C ATOM 642 C LEU A 41 -2.031 -1.927 3.705 1.00 0.00 C ATOM 643 O LEU A 41 -1.056 -2.613 3.466 1.00 0.00 O ATOM 644 CB LEU A 41 -3.006 -0.115 2.378 1.00 0.00 C ATOM 645 CG LEU A 41 -3.996 0.222 1.265 1.00 0.00 C ATOM 646 CD1 LEU A 41 -4.275 1.717 1.292 1.00 0.00 C ATOM 647 CD2 LEU A 41 -3.391 -0.157 -0.101 1.00 0.00 C ATOM 0 H LEU A 41 -5.025 -1.220 3.278 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.801 -2.179 1.743 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.261 0.434 3.285 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.001 0.193 2.091 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.921 -0.335 1.416 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.981 1.970 0.501 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.699 1.991 2.258 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.345 2.264 1.136 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.100 0.085 -0.893 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.468 0.401 -0.258 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.176 -1.226 -0.120 1.00 0.00 H new ATOM 659 N GLY A 42 -2.275 -1.418 4.861 1.00 0.00 N ATOM 660 CA GLY A 42 -1.340 -1.669 5.962 1.00 0.00 C ATOM 661 C GLY A 42 -1.109 -3.183 6.092 1.00 0.00 C ATOM 662 O GLY A 42 -0.102 -3.625 6.612 1.00 0.00 O ATOM 0 H GLY A 42 -3.082 -0.839 5.091 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.395 -1.159 5.776 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.740 -1.269 6.893 1.00 0.00 H new ATOM 666 N GLU A 43 -2.073 -3.944 5.604 1.00 0.00 N ATOM 667 CA GLU A 43 -1.968 -5.417 5.668 1.00 0.00 C ATOM 668 C GLU A 43 -1.167 -5.938 4.481 1.00 0.00 C ATOM 669 O GLU A 43 -0.079 -6.453 4.645 1.00 0.00 O ATOM 670 CB GLU A 43 -3.393 -5.995 5.605 1.00 0.00 C ATOM 671 CG GLU A 43 -4.050 -5.863 6.980 1.00 0.00 C ATOM 672 CD GLU A 43 -5.559 -6.091 6.845 1.00 0.00 C ATOM 673 OE1 GLU A 43 -5.906 -7.177 6.414 1.00 0.00 O ATOM 674 OE2 GLU A 43 -6.278 -5.165 7.182 1.00 0.00 O ATOM 0 H GLU A 43 -2.924 -3.591 5.166 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.466 -5.715 6.588 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.981 -5.465 4.855 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.361 -7.042 5.303 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.622 -6.589 7.671 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.856 -4.874 7.395 1.00 0.00 H new ATOM 681 N MET A 44 -1.727 -5.796 3.294 1.00 0.00 N ATOM 682 CA MET A 44 -1.007 -6.279 2.079 1.00 0.00 C ATOM 683 C MET A 44 0.448 -5.874 2.157 1.00 0.00 C ATOM 684 O MET A 44 1.337 -6.624 1.812 1.00 0.00 O ATOM 685 CB MET A 44 -1.661 -5.627 0.827 1.00 0.00 C ATOM 686 CG MET A 44 -2.881 -6.455 0.416 1.00 0.00 C ATOM 687 SD MET A 44 -3.866 -5.848 -0.971 1.00 0.00 S ATOM 688 CE MET A 44 -4.221 -4.217 -0.280 1.00 0.00 C ATOM 0 H MET A 44 -2.639 -5.372 3.123 1.00 0.00 H new ATOM 0 HA MET A 44 -1.071 -7.365 2.014 1.00 0.00 H new ATOM 0 HB2 MET A 44 -1.958 -4.602 1.048 1.00 0.00 H new ATOM 0 HB3 MET A 44 -0.943 -5.581 0.008 1.00 0.00 H new ATOM 0 HG2 MET A 44 -2.539 -7.461 0.172 1.00 0.00 H new ATOM 0 HG3 MET A 44 -3.537 -6.542 1.282 1.00 0.00 H new ATOM 0 HE1 MET A 44 -5.010 -3.740 -0.861 1.00 0.00 H new ATOM 0 HE2 MET A 44 -4.546 -4.323 0.755 1.00 0.00 H new ATOM 0 HE3 MET A 44 -3.321 -3.603 -0.317 1.00 0.00 H new ATOM 698 N TRP A 45 0.656 -4.691 2.608 1.00 0.00 N ATOM 699 CA TRP A 45 2.023 -4.201 2.731 1.00 0.00 C ATOM 700 C TRP A 45 2.771 -5.091 3.684 1.00 0.00 C ATOM 701 O TRP A 45 3.722 -5.751 3.323 1.00 0.00 O ATOM 702 CB TRP A 45 1.942 -2.792 3.314 1.00 0.00 C ATOM 703 CG TRP A 45 3.314 -2.326 3.776 1.00 0.00 C ATOM 704 CD1 TRP A 45 3.654 -2.178 5.039 1.00 0.00 C ATOM 705 CD2 TRP A 45 4.266 -1.932 2.980 1.00 0.00 C ATOM 706 NE1 TRP A 45 4.881 -1.652 4.978 1.00 0.00 N ATOM 707 CE2 TRP A 45 5.348 -1.461 3.691 1.00 0.00 C ATOM 708 CE3 TRP A 45 4.264 -1.882 1.609 1.00 0.00 C ATOM 709 CZ2 TRP A 45 6.425 -0.941 3.022 1.00 0.00 C ATOM 710 CZ3 TRP A 45 5.339 -1.359 0.942 1.00 0.00 C ATOM 711 CH2 TRP A 45 6.417 -0.886 1.646 1.00 0.00 C ATOM 0 H TRP A 45 -0.072 -4.038 2.899 1.00 0.00 H new ATOM 0 HA TRP A 45 2.533 -4.195 1.768 1.00 0.00 H new ATOM 0 HB2 TRP A 45 1.551 -2.104 2.564 1.00 0.00 H new ATOM 0 HB3 TRP A 45 1.246 -2.779 4.152 1.00 0.00 H new ATOM 0 HD1 TRP A 45 3.077 -2.424 5.918 1.00 0.00 H new ATOM 0 HE1 TRP A 45 5.425 -1.413 5.807 1.00 0.00 H new ATOM 0 HE3 TRP A 45 3.415 -2.255 1.056 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 7.279 -0.575 3.573 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 5.338 -1.319 -0.137 1.00 0.00 H new ATOM 0 HH2 TRP A 45 7.263 -0.469 1.119 1.00 0.00 H new ATOM 722 N ASN A 46 2.322 -5.085 4.897 1.00 0.00 N ATOM 723 CA ASN A 46 2.974 -5.924 5.927 1.00 0.00 C ATOM 724 C ASN A 46 3.249 -7.319 5.365 1.00 0.00 C ATOM 725 O ASN A 46 4.234 -7.945 5.699 1.00 0.00 O ATOM 726 CB ASN A 46 2.005 -6.047 7.131 1.00 0.00 C ATOM 727 CG ASN A 46 2.234 -4.888 8.109 1.00 0.00 C ATOM 728 OD1 ASN A 46 3.261 -4.241 8.099 1.00 0.00 O ATOM 729 ND2 ASN A 46 1.299 -4.598 8.969 1.00 0.00 N ATOM 0 H ASN A 46 1.528 -4.533 5.223 1.00 0.00 H new ATOM 0 HA ASN A 46 3.917 -5.472 6.233 1.00 0.00 H new ATOM 0 HB2 ASN A 46 0.973 -6.039 6.780 1.00 0.00 H new ATOM 0 HB3 ASN A 46 2.162 -6.999 7.639 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.433 -3.831 9.628 1.00 0.00 H new ATOM 0 HD22 ASN A 46 0.434 -5.138 8.983 1.00 0.00 H new ATOM 736 N ASN A 47 2.362 -7.770 4.518 1.00 0.00 N ATOM 737 CA ASN A 47 2.543 -9.105 3.923 1.00 0.00 C ATOM 738 C ASN A 47 3.640 -9.076 2.861 1.00 0.00 C ATOM 739 O ASN A 47 4.364 -10.036 2.686 1.00 0.00 O ATOM 740 CB ASN A 47 1.223 -9.525 3.259 1.00 0.00 C ATOM 741 CG ASN A 47 0.111 -9.549 4.308 1.00 0.00 C ATOM 742 OD1 ASN A 47 0.326 -9.902 5.450 1.00 0.00 O ATOM 743 ND2 ASN A 47 -1.092 -9.182 3.959 1.00 0.00 N ATOM 0 H ASN A 47 1.527 -7.266 4.220 1.00 0.00 H new ATOM 0 HA ASN A 47 2.828 -9.809 4.705 1.00 0.00 H new ATOM 0 HB2 ASN A 47 0.968 -8.830 2.459 1.00 0.00 H new ATOM 0 HB3 ASN A 47 1.330 -10.510 2.804 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -1.847 -9.192 4.644 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -1.277 -8.885 3.001 1.00 0.00 H new ATOM 750 N THR A 48 3.739 -7.968 2.172 1.00 0.00 N ATOM 751 CA THR A 48 4.778 -7.850 1.117 1.00 0.00 C ATOM 752 C THR A 48 6.142 -8.283 1.647 1.00 0.00 C ATOM 753 O THR A 48 6.544 -7.894 2.726 1.00 0.00 O ATOM 754 CB THR A 48 4.854 -6.377 0.681 1.00 0.00 C ATOM 755 OG1 THR A 48 3.542 -6.039 0.282 1.00 0.00 O ATOM 756 CG2 THR A 48 5.697 -6.210 -0.595 1.00 0.00 C ATOM 0 H THR A 48 3.147 -7.147 2.296 1.00 0.00 H new ATOM 0 HA THR A 48 4.514 -8.494 0.278 1.00 0.00 H new ATOM 0 HB THR A 48 5.275 -5.781 1.491 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.519 -5.103 -0.009 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.729 -5.157 -0.874 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.710 -6.568 -0.411 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.250 -6.787 -1.405 1.00 0.00 H new ATOM 764 N ALA A 49 6.827 -9.085 0.878 1.00 0.00 N ATOM 765 CA ALA A 49 8.157 -9.551 1.315 1.00 0.00 C ATOM 766 C ALA A 49 9.178 -8.422 1.280 1.00 0.00 C ATOM 767 O ALA A 49 9.058 -7.495 0.502 1.00 0.00 O ATOM 768 CB ALA A 49 8.618 -10.663 0.357 1.00 0.00 C ATOM 0 H ALA A 49 6.518 -9.432 -0.030 1.00 0.00 H new ATOM 0 HA ALA A 49 8.082 -9.915 2.340 1.00 0.00 H new ATOM 0 HB1 ALA A 49 9.601 -11.022 0.663 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.905 -11.487 0.386 1.00 0.00 H new ATOM 0 HB3 ALA A 49 8.675 -10.269 -0.658 1.00 0.00 H new ATOM 774 N ALA A 50 10.167 -8.520 2.125 1.00 0.00 N ATOM 775 CA ALA A 50 11.201 -7.469 2.158 1.00 0.00 C ATOM 776 C ALA A 50 11.805 -7.268 0.776 1.00 0.00 C ATOM 777 O ALA A 50 11.959 -6.154 0.318 1.00 0.00 O ATOM 778 CB ALA A 50 12.309 -7.910 3.125 1.00 0.00 C ATOM 0 H ALA A 50 10.297 -9.283 2.789 1.00 0.00 H new ATOM 0 HA ALA A 50 10.750 -6.531 2.483 1.00 0.00 H new ATOM 0 HB1 ALA A 50 13.084 -7.145 3.163 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.888 -8.050 4.121 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.742 -8.848 2.778 1.00 0.00 H new ATOM 784 N ASP A 51 12.141 -8.352 0.135 1.00 0.00 N ATOM 785 CA ASP A 51 12.733 -8.245 -1.211 1.00 0.00 C ATOM 786 C ASP A 51 11.715 -7.688 -2.202 1.00 0.00 C ATOM 787 O ASP A 51 12.075 -7.138 -3.224 1.00 0.00 O ATOM 788 CB ASP A 51 13.161 -9.649 -1.662 1.00 0.00 C ATOM 789 CG ASP A 51 14.247 -10.177 -0.715 1.00 0.00 C ATOM 790 OD1 ASP A 51 14.562 -9.445 0.212 1.00 0.00 O ATOM 791 OD2 ASP A 51 14.700 -11.280 -0.971 1.00 0.00 O ATOM 0 H ASP A 51 12.029 -9.302 0.490 1.00 0.00 H new ATOM 0 HA ASP A 51 13.589 -7.571 -1.178 1.00 0.00 H new ATOM 0 HB2 ASP A 51 12.303 -10.321 -1.661 1.00 0.00 H new ATOM 0 HB3 ASP A 51 13.538 -9.616 -2.684 1.00 0.00 H new ATOM 796 N ASP A 52 10.457 -7.843 -1.876 1.00 0.00 N ATOM 797 CA ASP A 52 9.389 -7.333 -2.778 1.00 0.00 C ATOM 798 C ASP A 52 9.150 -5.846 -2.542 1.00 0.00 C ATOM 799 O ASP A 52 8.502 -5.186 -3.327 1.00 0.00 O ATOM 800 CB ASP A 52 8.098 -8.094 -2.468 1.00 0.00 C ATOM 801 CG ASP A 52 7.019 -7.690 -3.474 1.00 0.00 C ATOM 802 OD1 ASP A 52 6.546 -6.574 -3.340 1.00 0.00 O ATOM 803 OD2 ASP A 52 6.731 -8.520 -4.320 1.00 0.00 O ATOM 0 H ASP A 52 10.127 -8.300 -1.026 1.00 0.00 H new ATOM 0 HA ASP A 52 9.693 -7.479 -3.815 1.00 0.00 H new ATOM 0 HB2 ASP A 52 8.275 -9.168 -2.519 1.00 0.00 H new ATOM 0 HB3 ASP A 52 7.767 -7.873 -1.453 1.00 0.00 H new ATOM 808 N LYS A 53 9.661 -5.357 -1.443 1.00 0.00 N ATOM 809 CA LYS A 53 9.486 -3.910 -1.117 1.00 0.00 C ATOM 810 C LYS A 53 10.536 -3.082 -1.852 1.00 0.00 C ATOM 811 O LYS A 53 10.486 -1.869 -1.870 1.00 0.00 O ATOM 812 CB LYS A 53 9.712 -3.725 0.396 1.00 0.00 C ATOM 813 CG LYS A 53 8.489 -4.220 1.182 1.00 0.00 C ATOM 814 CD LYS A 53 8.576 -3.685 2.626 1.00 0.00 C ATOM 815 CE LYS A 53 7.446 -4.289 3.486 1.00 0.00 C ATOM 816 NZ LYS A 53 7.880 -5.579 4.093 1.00 0.00 N ATOM 0 H LYS A 53 10.191 -5.895 -0.758 1.00 0.00 H new ATOM 0 HA LYS A 53 8.487 -3.589 -1.413 1.00 0.00 H new ATOM 0 HB2 LYS A 53 10.600 -4.275 0.708 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.894 -2.673 0.618 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.570 -3.876 0.707 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.458 -5.310 1.184 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.545 -3.936 3.057 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.500 -2.598 2.624 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.165 -3.588 4.272 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.560 -4.450 2.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.402 -6.367 3.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.910 -5.683 3.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.632 -5.588 5.103 1.00 0.00 H new ATOM 830 N GLN A 54 11.464 -3.772 -2.438 1.00 0.00 N ATOM 831 CA GLN A 54 12.546 -3.100 -3.184 1.00 0.00 C ATOM 832 C GLN A 54 12.050 -1.869 -4.010 1.00 0.00 C ATOM 833 O GLN A 54 12.546 -0.784 -3.835 1.00 0.00 O ATOM 834 CB GLN A 54 13.204 -4.159 -4.110 1.00 0.00 C ATOM 835 CG GLN A 54 14.556 -4.601 -3.521 1.00 0.00 C ATOM 836 CD GLN A 54 15.041 -5.853 -4.250 1.00 0.00 C ATOM 837 OE1 GLN A 54 14.261 -6.691 -4.651 1.00 0.00 O ATOM 838 NE2 GLN A 54 16.321 -6.018 -4.439 1.00 0.00 N ATOM 0 H GLN A 54 11.517 -4.791 -2.430 1.00 0.00 H new ATOM 0 HA GLN A 54 13.267 -2.698 -2.472 1.00 0.00 H new ATOM 0 HB2 GLN A 54 12.545 -5.021 -4.218 1.00 0.00 H new ATOM 0 HB3 GLN A 54 13.350 -3.743 -5.107 1.00 0.00 H new ATOM 0 HG2 GLN A 54 15.289 -3.801 -3.623 1.00 0.00 H new ATOM 0 HG3 GLN A 54 14.452 -4.804 -2.455 1.00 0.00 H new ATOM 0 HE21 GLN A 54 16.981 -5.316 -4.104 1.00 0.00 H new ATOM 0 HE22 GLN A 54 16.662 -6.849 -4.922 1.00 0.00 H new ATOM 847 N PRO A 55 11.094 -2.055 -4.908 1.00 0.00 N ATOM 848 CA PRO A 55 10.601 -0.932 -5.703 1.00 0.00 C ATOM 849 C PRO A 55 10.306 0.295 -4.847 1.00 0.00 C ATOM 850 O PRO A 55 10.586 1.412 -5.235 1.00 0.00 O ATOM 851 CB PRO A 55 9.289 -1.461 -6.350 1.00 0.00 C ATOM 852 CG PRO A 55 9.278 -3.012 -6.158 1.00 0.00 C ATOM 853 CD PRO A 55 10.441 -3.351 -5.188 1.00 0.00 C ATOM 0 HA PRO A 55 11.343 -0.610 -6.434 1.00 0.00 H new ATOM 0 HB2 PRO A 55 8.417 -1.008 -5.879 1.00 0.00 H new ATOM 0 HB3 PRO A 55 9.250 -1.203 -7.408 1.00 0.00 H new ATOM 0 HG2 PRO A 55 8.324 -3.344 -5.749 1.00 0.00 H new ATOM 0 HG3 PRO A 55 9.410 -3.521 -7.113 1.00 0.00 H new ATOM 0 HD2 PRO A 55 10.070 -3.812 -4.273 1.00 0.00 H new ATOM 0 HD3 PRO A 55 11.139 -4.056 -5.640 1.00 0.00 H new ATOM 861 N TYR A 56 9.748 0.061 -3.710 1.00 0.00 N ATOM 862 CA TYR A 56 9.419 1.194 -2.812 1.00 0.00 C ATOM 863 C TYR A 56 10.644 1.793 -2.146 1.00 0.00 C ATOM 864 O TYR A 56 10.918 2.965 -2.317 1.00 0.00 O ATOM 865 CB TYR A 56 8.461 0.685 -1.751 1.00 0.00 C ATOM 866 CG TYR A 56 7.137 0.391 -2.430 1.00 0.00 C ATOM 867 CD1 TYR A 56 6.354 1.427 -2.859 1.00 0.00 C ATOM 868 CD2 TYR A 56 6.719 -0.900 -2.636 1.00 0.00 C ATOM 869 CE1 TYR A 56 5.158 1.194 -3.488 1.00 0.00 C ATOM 870 CE2 TYR A 56 5.516 -1.151 -3.267 1.00 0.00 C ATOM 871 CZ TYR A 56 4.721 -0.103 -3.701 1.00 0.00 C ATOM 872 OH TYR A 56 3.521 -0.347 -4.340 1.00 0.00 O ATOM 0 H TYR A 56 9.502 -0.864 -3.357 1.00 0.00 H new ATOM 0 HA TYR A 56 8.971 1.987 -3.411 1.00 0.00 H new ATOM 0 HB2 TYR A 56 8.856 -0.214 -1.278 1.00 0.00 H new ATOM 0 HB3 TYR A 56 8.331 1.428 -0.964 1.00 0.00 H new ATOM 0 HD1 TYR A 56 6.682 2.443 -2.700 1.00 0.00 H new ATOM 0 HD2 TYR A 56 7.333 -1.723 -2.303 1.00 0.00 H new ATOM 0 HE1 TYR A 56 4.554 2.026 -3.819 1.00 0.00 H new ATOM 0 HE2 TYR A 56 5.194 -2.170 -3.423 1.00 0.00 H new ATOM 0 HH TYR A 56 2.881 -0.724 -3.701 1.00 0.00 H new ATOM 882 N GLU A 57 11.375 1.008 -1.398 1.00 0.00 N ATOM 883 CA GLU A 57 12.573 1.594 -0.745 1.00 0.00 C ATOM 884 C GLU A 57 13.437 2.208 -1.812 1.00 0.00 C ATOM 885 O GLU A 57 14.021 3.257 -1.640 1.00 0.00 O ATOM 886 CB GLU A 57 13.342 0.482 0.009 1.00 0.00 C ATOM 887 CG GLU A 57 14.183 -0.343 -0.960 1.00 0.00 C ATOM 888 CD GLU A 57 14.668 -1.618 -0.264 1.00 0.00 C ATOM 889 OE1 GLU A 57 13.908 -2.117 0.550 1.00 0.00 O ATOM 890 OE2 GLU A 57 15.773 -2.021 -0.586 1.00 0.00 O ATOM 0 H GLU A 57 11.200 0.020 -1.217 1.00 0.00 H new ATOM 0 HA GLU A 57 12.285 2.360 -0.025 1.00 0.00 H new ATOM 0 HB2 GLU A 57 13.985 0.928 0.768 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.637 -0.166 0.529 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.594 -0.599 -1.841 1.00 0.00 H new ATOM 0 HG3 GLU A 57 15.036 0.241 -1.305 1.00 0.00 H new ATOM 897 N LYS A 58 13.496 1.517 -2.895 1.00 0.00 N ATOM 898 CA LYS A 58 14.295 1.993 -4.029 1.00 0.00 C ATOM 899 C LYS A 58 13.774 3.353 -4.445 1.00 0.00 C ATOM 900 O LYS A 58 14.525 4.287 -4.624 1.00 0.00 O ATOM 901 CB LYS A 58 14.137 0.994 -5.196 1.00 0.00 C ATOM 902 CG LYS A 58 14.961 1.475 -6.407 1.00 0.00 C ATOM 903 CD LYS A 58 16.455 1.586 -6.009 1.00 0.00 C ATOM 904 CE LYS A 58 17.336 1.412 -7.252 1.00 0.00 C ATOM 905 NZ LYS A 58 16.701 2.055 -8.436 1.00 0.00 N ATOM 0 H LYS A 58 13.017 0.629 -3.045 1.00 0.00 H new ATOM 0 HA LYS A 58 15.347 2.071 -3.756 1.00 0.00 H new ATOM 0 HB2 LYS A 58 14.471 0.003 -4.887 1.00 0.00 H new ATOM 0 HB3 LYS A 58 13.086 0.905 -5.471 1.00 0.00 H new ATOM 0 HG2 LYS A 58 14.846 0.778 -7.237 1.00 0.00 H new ATOM 0 HG3 LYS A 58 14.593 2.442 -6.749 1.00 0.00 H new ATOM 0 HD2 LYS A 58 16.647 2.555 -5.548 1.00 0.00 H new ATOM 0 HD3 LYS A 58 16.701 0.826 -5.268 1.00 0.00 H new ATOM 0 HE2 LYS A 58 18.317 1.852 -7.074 1.00 0.00 H new ATOM 0 HE3 LYS A 58 17.494 0.351 -7.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 17.433 2.293 -9.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 16.016 1.399 -8.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 16.211 2.923 -8.139 1.00 0.00 H new ATOM 919 N LYS A 59 12.474 3.440 -4.596 1.00 0.00 N ATOM 920 CA LYS A 59 11.877 4.729 -4.995 1.00 0.00 C ATOM 921 C LYS A 59 12.327 5.776 -4.020 1.00 0.00 C ATOM 922 O LYS A 59 12.803 6.827 -4.389 1.00 0.00 O ATOM 923 CB LYS A 59 10.343 4.599 -4.905 1.00 0.00 C ATOM 924 CG LYS A 59 9.663 5.847 -5.538 1.00 0.00 C ATOM 925 CD LYS A 59 9.385 5.591 -7.026 1.00 0.00 C ATOM 926 CE LYS A 59 9.067 6.921 -7.719 1.00 0.00 C ATOM 927 NZ LYS A 59 7.920 7.601 -7.052 1.00 0.00 N ATOM 0 H LYS A 59 11.814 2.674 -4.459 1.00 0.00 H new ATOM 0 HA LYS A 59 12.177 4.998 -6.008 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.016 3.696 -5.421 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.039 4.499 -3.863 1.00 0.00 H new ATOM 0 HG2 LYS A 59 8.731 6.068 -5.018 1.00 0.00 H new ATOM 0 HG3 LYS A 59 10.306 6.720 -5.424 1.00 0.00 H new ATOM 0 HD2 LYS A 59 10.251 5.122 -7.494 1.00 0.00 H new ATOM 0 HD3 LYS A 59 8.549 4.901 -7.138 1.00 0.00 H new ATOM 0 HE2 LYS A 59 9.944 7.568 -7.695 1.00 0.00 H new ATOM 0 HE3 LYS A 59 8.831 6.743 -8.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.578 8.377 -7.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 7.152 6.917 -6.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 8.229 7.984 -6.136 1.00 0.00 H new ATOM 941 N ALA A 60 12.155 5.469 -2.777 1.00 0.00 N ATOM 942 CA ALA A 60 12.562 6.415 -1.753 1.00 0.00 C ATOM 943 C ALA A 60 14.064 6.616 -1.835 1.00 0.00 C ATOM 944 O ALA A 60 14.565 7.657 -1.518 1.00 0.00 O ATOM 945 CB ALA A 60 12.197 5.840 -0.366 1.00 0.00 C ATOM 0 H ALA A 60 11.748 4.598 -2.436 1.00 0.00 H new ATOM 0 HA ALA A 60 12.055 7.369 -1.901 1.00 0.00 H new ATOM 0 HB1 ALA A 60 12.499 6.543 0.410 1.00 0.00 H new ATOM 0 HB2 ALA A 60 11.120 5.679 -0.311 1.00 0.00 H new ATOM 0 HB3 ALA A 60 12.714 4.892 -0.218 1.00 0.00 H new