USER MOD reduce.3.24.130724 H: found=0, std=0, add=380, rem=0, adj=11 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 Set 1.1: A 40 LYS NZ :NH3+ -137:sc= -0.318 (180deg=-1.57) USER MOD Set 1.2: A 44 MET CE :methyl -146:sc= -0.231 (180deg=-2.87!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot 180:sc= -0.0328 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -159:sc= -0.0355 (180deg=-0.353) USER MOD Single : A 29 HIS : no HD1:sc= -0.0619 X(o=-0.062,f=-0.037) USER MOD Single : A 33 SER OG : rot 180:sc= 0.615 USER MOD Single : A 39 LYS NZ :NH3+ 154:sc= -0.139 (180deg=-0.7) USER MOD Single : A 46 ASN : amide:sc= -1.52 K(o=-1.5,f=-0.057) USER MOD Single : A 47 ASN : amide:sc= -0.0153 X(o=-0.015,f=-0.44) USER MOD Single : A 48 THR OG1 : rot 23:sc= 0.44 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -4.3! C(o=-4.3!,f=-14!) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.345 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 183 N SER A 12 5.597 7.843 4.224 1.00 0.00 N ATOM 184 CA SER A 12 5.743 6.495 4.830 1.00 0.00 C ATOM 185 C SER A 12 6.117 5.475 3.747 1.00 0.00 C ATOM 186 O SER A 12 5.690 5.590 2.614 1.00 0.00 O ATOM 187 CB SER A 12 4.380 6.110 5.476 1.00 0.00 C ATOM 188 OG SER A 12 4.732 5.605 6.757 1.00 0.00 O ATOM 0 HA SER A 12 6.530 6.500 5.584 1.00 0.00 H new ATOM 0 HB2 SER A 12 3.719 6.973 5.556 1.00 0.00 H new ATOM 0 HB3 SER A 12 3.856 5.361 4.883 1.00 0.00 H new ATOM 0 HG SER A 12 3.921 5.338 7.237 1.00 0.00 H new ATOM 194 N ALA A 13 6.904 4.502 4.112 1.00 0.00 N ATOM 195 CA ALA A 13 7.303 3.488 3.115 1.00 0.00 C ATOM 196 C ALA A 13 6.096 2.883 2.462 1.00 0.00 C ATOM 197 O ALA A 13 6.068 2.677 1.263 1.00 0.00 O ATOM 198 CB ALA A 13 8.075 2.364 3.827 1.00 0.00 C ATOM 0 H ALA A 13 7.282 4.371 5.050 1.00 0.00 H new ATOM 0 HA ALA A 13 7.921 3.970 2.358 1.00 0.00 H new ATOM 0 HB1 ALA A 13 8.374 1.610 3.099 1.00 0.00 H new ATOM 0 HB2 ALA A 13 8.962 2.779 4.305 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.436 1.906 4.582 1.00 0.00 H new ATOM 204 N PHE A 14 5.109 2.602 3.257 1.00 0.00 N ATOM 205 CA PHE A 14 3.876 1.999 2.701 1.00 0.00 C ATOM 206 C PHE A 14 2.959 3.070 2.088 1.00 0.00 C ATOM 207 O PHE A 14 1.952 2.758 1.494 1.00 0.00 O ATOM 208 CB PHE A 14 3.178 1.188 3.856 1.00 0.00 C ATOM 209 CG PHE A 14 1.702 1.564 4.078 1.00 0.00 C ATOM 210 CD1 PHE A 14 1.347 2.855 4.381 1.00 0.00 C ATOM 211 CD2 PHE A 14 0.713 0.586 4.010 1.00 0.00 C ATOM 212 CE1 PHE A 14 0.028 3.183 4.613 1.00 0.00 C ATOM 213 CE2 PHE A 14 -0.605 0.911 4.244 1.00 0.00 C ATOM 214 CZ PHE A 14 -0.950 2.209 4.545 1.00 0.00 C ATOM 0 H PHE A 14 5.103 2.763 4.264 1.00 0.00 H new ATOM 0 HA PHE A 14 4.115 1.320 1.882 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.241 0.124 3.629 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.727 1.350 4.783 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.107 3.620 4.438 1.00 0.00 H new ATOM 0 HD2 PHE A 14 0.981 -0.433 3.772 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.241 4.202 4.848 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.367 0.148 4.191 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.983 2.466 4.728 1.00 0.00 H new ATOM 224 N PHE A 15 3.292 4.317 2.279 1.00 0.00 N ATOM 225 CA PHE A 15 2.425 5.362 1.690 1.00 0.00 C ATOM 226 C PHE A 15 2.655 5.334 0.211 1.00 0.00 C ATOM 227 O PHE A 15 1.763 5.565 -0.587 1.00 0.00 O ATOM 228 CB PHE A 15 2.812 6.745 2.236 1.00 0.00 C ATOM 229 CG PHE A 15 1.901 7.792 1.586 1.00 0.00 C ATOM 230 CD1 PHE A 15 0.534 7.753 1.796 1.00 0.00 C ATOM 231 CD2 PHE A 15 2.428 8.773 0.761 1.00 0.00 C ATOM 232 CE1 PHE A 15 -0.291 8.677 1.194 1.00 0.00 C ATOM 233 CE2 PHE A 15 1.598 9.698 0.162 1.00 0.00 C ATOM 234 CZ PHE A 15 0.241 9.649 0.379 1.00 0.00 C ATOM 0 H PHE A 15 4.103 4.646 2.802 1.00 0.00 H new ATOM 0 HA PHE A 15 1.380 5.177 1.937 1.00 0.00 H new ATOM 0 HB2 PHE A 15 2.704 6.769 3.320 1.00 0.00 H new ATOM 0 HB3 PHE A 15 3.857 6.962 2.015 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.111 6.993 2.436 1.00 0.00 H new ATOM 0 HD2 PHE A 15 3.493 8.814 0.586 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -1.357 8.638 1.362 1.00 0.00 H new ATOM 0 HE2 PHE A 15 2.015 10.462 -0.478 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.407 10.374 -0.091 1.00 0.00 H new ATOM 244 N LEU A 16 3.876 5.037 -0.123 1.00 0.00 N ATOM 245 CA LEU A 16 4.260 4.964 -1.529 1.00 0.00 C ATOM 246 C LEU A 16 3.602 3.745 -2.127 1.00 0.00 C ATOM 247 O LEU A 16 3.412 3.642 -3.322 1.00 0.00 O ATOM 248 CB LEU A 16 5.785 4.762 -1.594 1.00 0.00 C ATOM 249 CG LEU A 16 6.500 5.819 -0.743 1.00 0.00 C ATOM 250 CD1 LEU A 16 7.987 5.444 -0.649 1.00 0.00 C ATOM 251 CD2 LEU A 16 6.350 7.204 -1.394 1.00 0.00 C ATOM 0 H LEU A 16 4.626 4.841 0.540 1.00 0.00 H new ATOM 0 HA LEU A 16 3.964 5.867 -2.062 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.042 3.764 -1.238 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.123 4.828 -2.628 1.00 0.00 H new ATOM 0 HG LEU A 16 6.061 5.854 0.254 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.512 6.186 -0.047 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.086 4.463 -0.184 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.419 5.417 -1.649 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.860 7.950 -0.784 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.791 7.187 -2.391 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.293 7.458 -1.469 1.00 0.00 H new ATOM 263 N PHE A 17 3.265 2.836 -1.251 1.00 0.00 N ATOM 264 CA PHE A 17 2.612 1.585 -1.676 1.00 0.00 C ATOM 265 C PHE A 17 1.115 1.791 -1.778 1.00 0.00 C ATOM 266 O PHE A 17 0.472 1.278 -2.663 1.00 0.00 O ATOM 267 CB PHE A 17 2.918 0.561 -0.591 1.00 0.00 C ATOM 268 CG PHE A 17 2.131 -0.705 -0.784 1.00 0.00 C ATOM 269 CD1 PHE A 17 0.860 -0.816 -0.249 1.00 0.00 C ATOM 270 CD2 PHE A 17 2.704 -1.796 -1.393 1.00 0.00 C ATOM 271 CE1 PHE A 17 0.183 -2.000 -0.316 1.00 0.00 C ATOM 272 CE2 PHE A 17 2.020 -2.984 -1.461 1.00 0.00 C ATOM 273 CZ PHE A 17 0.760 -3.081 -0.917 1.00 0.00 C ATOM 0 H PHE A 17 3.421 2.918 -0.246 1.00 0.00 H new ATOM 0 HA PHE A 17 2.972 1.258 -2.652 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.984 0.332 -0.597 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.689 0.987 0.386 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.400 0.039 0.225 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.694 -1.718 -1.818 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.808 -2.081 0.106 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.470 -3.841 -1.940 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.225 -4.018 -0.966 1.00 0.00 H new ATOM 283 N CYS A 18 0.575 2.529 -0.853 1.00 0.00 N ATOM 284 CA CYS A 18 -0.875 2.775 -0.893 1.00 0.00 C ATOM 285 C CYS A 18 -1.304 3.212 -2.287 1.00 0.00 C ATOM 286 O CYS A 18 -2.051 2.528 -2.950 1.00 0.00 O ATOM 287 CB CYS A 18 -1.208 3.903 0.105 1.00 0.00 C ATOM 288 SG CYS A 18 -2.726 4.844 -0.184 1.00 0.00 S ATOM 0 H CYS A 18 1.076 2.966 -0.080 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.401 1.857 -0.633 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -1.267 3.465 1.102 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.373 4.604 0.113 1.00 0.00 H new ATOM 0 HG CYS A 18 -2.859 5.748 0.741 1.00 0.00 H new ATOM 294 N SER A 19 -0.787 4.324 -2.717 1.00 0.00 N ATOM 295 CA SER A 19 -1.147 4.833 -4.058 1.00 0.00 C ATOM 296 C SER A 19 -1.122 3.725 -5.106 1.00 0.00 C ATOM 297 O SER A 19 -1.869 3.759 -6.063 1.00 0.00 O ATOM 298 CB SER A 19 -0.121 5.905 -4.451 1.00 0.00 C ATOM 299 OG SER A 19 -0.578 6.382 -5.707 1.00 0.00 O ATOM 0 H SER A 19 -0.129 4.902 -2.194 1.00 0.00 H new ATOM 0 HA SER A 19 -2.158 5.238 -4.018 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.079 6.706 -3.712 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.883 5.487 -4.525 1.00 0.00 H new ATOM 0 HG SER A 19 0.028 7.080 -6.032 1.00 0.00 H new ATOM 305 N GLU A 20 -0.268 2.762 -4.908 1.00 0.00 N ATOM 306 CA GLU A 20 -0.185 1.651 -5.887 1.00 0.00 C ATOM 307 C GLU A 20 -1.310 0.630 -5.683 1.00 0.00 C ATOM 308 O GLU A 20 -1.990 0.267 -6.622 1.00 0.00 O ATOM 309 CB GLU A 20 1.195 0.951 -5.718 1.00 0.00 C ATOM 310 CG GLU A 20 1.221 -0.373 -6.496 1.00 0.00 C ATOM 311 CD GLU A 20 0.735 -0.137 -7.930 1.00 0.00 C ATOM 312 OE1 GLU A 20 1.339 0.705 -8.574 1.00 0.00 O ATOM 313 OE2 GLU A 20 -0.211 -0.813 -8.299 1.00 0.00 O ATOM 0 H GLU A 20 0.371 2.698 -4.116 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.293 2.060 -6.892 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.989 1.606 -6.076 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.388 0.764 -4.662 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.232 -0.780 -6.506 1.00 0.00 H new ATOM 0 HG3 GLU A 20 0.586 -1.109 -6.003 1.00 0.00 H new ATOM 320 N TYR A 21 -1.485 0.174 -4.463 1.00 0.00 N ATOM 321 CA TYR A 21 -2.558 -0.823 -4.190 1.00 0.00 C ATOM 322 C TYR A 21 -3.860 -0.184 -3.730 1.00 0.00 C ATOM 323 O TYR A 21 -4.652 -0.821 -3.080 1.00 0.00 O ATOM 324 CB TYR A 21 -2.041 -1.756 -3.082 1.00 0.00 C ATOM 325 CG TYR A 21 -1.075 -2.766 -3.688 1.00 0.00 C ATOM 326 CD1 TYR A 21 0.261 -2.461 -3.811 1.00 0.00 C ATOM 327 CD2 TYR A 21 -1.528 -3.996 -4.120 1.00 0.00 C ATOM 328 CE1 TYR A 21 1.142 -3.373 -4.359 1.00 0.00 C ATOM 329 CE2 TYR A 21 -0.649 -4.912 -4.669 1.00 0.00 C ATOM 330 CZ TYR A 21 0.693 -4.606 -4.793 1.00 0.00 C ATOM 331 OH TYR A 21 1.572 -5.518 -5.348 1.00 0.00 O ATOM 0 H TYR A 21 -0.932 0.451 -3.652 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.779 -1.355 -5.115 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.541 -1.176 -2.306 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -2.875 -2.272 -2.606 1.00 0.00 H new ATOM 0 HD1 TYR A 21 0.624 -1.500 -3.476 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -2.575 -4.245 -4.029 1.00 0.00 H new ATOM 0 HE1 TYR A 21 2.188 -3.121 -4.449 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.014 -5.872 -5.003 1.00 0.00 H new ATOM 0 HH TYR A 21 1.086 -6.332 -5.596 1.00 0.00 H new ATOM 341 N ARG A 22 -4.064 1.048 -4.064 1.00 0.00 N ATOM 342 CA ARG A 22 -5.336 1.718 -3.634 1.00 0.00 C ATOM 343 C ARG A 22 -6.486 1.537 -4.655 1.00 0.00 C ATOM 344 O ARG A 22 -7.627 1.415 -4.262 1.00 0.00 O ATOM 345 CB ARG A 22 -5.107 3.239 -3.422 1.00 0.00 C ATOM 346 CG ARG A 22 -6.239 3.781 -2.541 1.00 0.00 C ATOM 347 CD ARG A 22 -6.012 5.264 -2.269 1.00 0.00 C ATOM 348 NE ARG A 22 -6.947 5.691 -1.195 1.00 0.00 N ATOM 349 CZ ARG A 22 -6.891 6.911 -0.737 1.00 0.00 C ATOM 350 NH1 ARG A 22 -6.011 7.736 -1.237 1.00 0.00 N ATOM 351 NH2 ARG A 22 -7.712 7.263 0.213 1.00 0.00 N ATOM 0 H ARG A 22 -3.423 1.625 -4.608 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.627 1.238 -2.700 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.141 3.415 -2.949 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.091 3.757 -4.381 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.199 3.635 -3.035 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.277 3.230 -1.601 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.980 5.441 -1.966 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.183 5.846 -3.174 1.00 0.00 H new ATOM 0 HE ARG A 22 -7.629 5.033 -0.818 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -5.380 7.423 -1.975 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -5.954 8.693 -0.890 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -8.382 6.589 0.584 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -7.684 8.212 0.585 1.00 0.00 H new ATOM 365 N PRO A 23 -6.174 1.514 -5.958 1.00 0.00 N ATOM 366 CA PRO A 23 -7.211 1.350 -6.976 1.00 0.00 C ATOM 367 C PRO A 23 -7.618 -0.120 -7.120 1.00 0.00 C ATOM 368 O PRO A 23 -8.759 -0.427 -7.404 1.00 0.00 O ATOM 369 CB PRO A 23 -6.537 1.846 -8.295 1.00 0.00 C ATOM 370 CG PRO A 23 -5.001 1.969 -7.997 1.00 0.00 C ATOM 371 CD PRO A 23 -4.808 1.645 -6.494 1.00 0.00 C ATOM 0 HA PRO A 23 -8.118 1.899 -6.725 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -6.718 1.145 -9.110 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -6.950 2.807 -8.603 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -4.430 1.278 -8.618 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -4.642 2.973 -8.225 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -4.240 0.725 -6.358 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -4.258 2.437 -5.986 1.00 0.00 H new ATOM 379 N LYS A 24 -6.669 -0.996 -6.922 1.00 0.00 N ATOM 380 CA LYS A 24 -6.971 -2.426 -7.041 1.00 0.00 C ATOM 381 C LYS A 24 -8.087 -2.797 -6.094 1.00 0.00 C ATOM 382 O LYS A 24 -9.107 -3.314 -6.501 1.00 0.00 O ATOM 383 CB LYS A 24 -5.705 -3.229 -6.670 1.00 0.00 C ATOM 384 CG LYS A 24 -4.480 -2.716 -7.465 1.00 0.00 C ATOM 385 CD LYS A 24 -4.559 -3.186 -8.929 1.00 0.00 C ATOM 386 CE LYS A 24 -3.355 -2.632 -9.704 1.00 0.00 C ATOM 387 NZ LYS A 24 -3.597 -2.719 -11.174 1.00 0.00 N ATOM 0 H LYS A 24 -5.703 -0.770 -6.684 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.279 -2.652 -8.062 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.513 -3.142 -5.601 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.864 -4.287 -6.880 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.443 -1.627 -7.427 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.561 -3.082 -7.007 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.565 -4.275 -8.974 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.488 -2.843 -9.384 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.177 -1.595 -9.419 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.457 -3.193 -9.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.774 -2.340 -11.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.744 -3.713 -11.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.442 -2.165 -11.420 1.00 0.00 H new ATOM 401 N ILE A 25 -7.879 -2.529 -4.842 1.00 0.00 N ATOM 402 CA ILE A 25 -8.917 -2.858 -3.853 1.00 0.00 C ATOM 403 C ILE A 25 -10.109 -1.900 -4.018 1.00 0.00 C ATOM 404 O ILE A 25 -11.216 -2.323 -4.285 1.00 0.00 O ATOM 405 CB ILE A 25 -8.313 -2.715 -2.408 1.00 0.00 C ATOM 406 CG1 ILE A 25 -7.013 -1.888 -2.443 1.00 0.00 C ATOM 407 CG2 ILE A 25 -7.980 -4.130 -1.858 1.00 0.00 C ATOM 408 CD1 ILE A 25 -6.677 -1.369 -1.029 1.00 0.00 C ATOM 0 H ILE A 25 -7.035 -2.097 -4.466 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.261 -3.881 -4.005 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.042 -2.212 -1.772 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.193 -2.500 -2.818 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.125 -1.049 -3.130 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -7.560 -4.041 -0.856 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -8.890 -4.729 -1.819 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -7.256 -4.614 -2.513 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -5.757 -0.786 -1.065 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -7.491 -0.740 -0.669 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -6.545 -2.214 -0.353 1.00 0.00 H new ATOM 420 N LYS A 26 -9.851 -0.623 -3.868 1.00 0.00 N ATOM 421 CA LYS A 26 -10.943 0.358 -4.011 1.00 0.00 C ATOM 422 C LYS A 26 -11.653 0.164 -5.339 1.00 0.00 C ATOM 423 O LYS A 26 -12.798 0.539 -5.497 1.00 0.00 O ATOM 424 CB LYS A 26 -10.339 1.779 -3.960 1.00 0.00 C ATOM 425 CG LYS A 26 -11.470 2.818 -3.793 1.00 0.00 C ATOM 426 CD LYS A 26 -11.896 2.914 -2.314 1.00 0.00 C ATOM 427 CE LYS A 26 -12.766 4.162 -2.135 1.00 0.00 C ATOM 428 NZ LYS A 26 -11.929 5.395 -2.213 1.00 0.00 N ATOM 0 H LYS A 26 -8.934 -0.231 -3.654 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.662 0.220 -3.204 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.635 1.856 -3.131 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -9.779 1.980 -4.873 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -11.132 3.793 -4.145 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -12.325 2.536 -4.407 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -12.450 2.022 -2.021 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -11.018 2.970 -1.670 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -13.537 4.189 -2.905 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -13.277 4.122 -1.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -12.428 6.183 -1.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.022 5.230 -1.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -11.753 5.633 -3.210 1.00 0.00 H new ATOM 442 N GLY A 27 -10.964 -0.427 -6.274 1.00 0.00 N ATOM 443 CA GLY A 27 -11.590 -0.651 -7.594 1.00 0.00 C ATOM 444 C GLY A 27 -12.813 -1.527 -7.409 1.00 0.00 C ATOM 445 O GLY A 27 -13.923 -1.139 -7.716 1.00 0.00 O ATOM 0 H GLY A 27 -10.005 -0.760 -6.178 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -11.871 0.301 -8.045 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -10.882 -1.128 -8.272 1.00 0.00 H new ATOM 449 N GLU A 28 -12.577 -2.702 -6.904 1.00 0.00 N ATOM 450 CA GLU A 28 -13.674 -3.636 -6.675 1.00 0.00 C ATOM 451 C GLU A 28 -14.427 -3.248 -5.414 1.00 0.00 C ATOM 452 O GLU A 28 -15.401 -3.874 -5.047 1.00 0.00 O ATOM 453 CB GLU A 28 -13.073 -5.024 -6.482 1.00 0.00 C ATOM 454 CG GLU A 28 -12.204 -5.367 -7.687 1.00 0.00 C ATOM 455 CD GLU A 28 -11.844 -6.851 -7.635 1.00 0.00 C ATOM 456 OE1 GLU A 28 -11.824 -7.365 -6.528 1.00 0.00 O ATOM 457 OE2 GLU A 28 -11.610 -7.388 -8.705 1.00 0.00 O ATOM 0 H GLU A 28 -11.654 -3.046 -6.641 1.00 0.00 H new ATOM 0 HA GLU A 28 -14.362 -3.621 -7.521 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -12.477 -5.052 -5.570 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -13.865 -5.764 -6.368 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.736 -5.141 -8.611 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.299 -4.760 -7.683 1.00 0.00 H new ATOM 464 N HIS A 29 -13.948 -2.205 -4.767 1.00 0.00 N ATOM 465 CA HIS A 29 -14.601 -1.731 -3.519 1.00 0.00 C ATOM 466 C HIS A 29 -14.727 -0.195 -3.506 1.00 0.00 C ATOM 467 O HIS A 29 -14.064 0.470 -2.735 1.00 0.00 O ATOM 468 CB HIS A 29 -13.699 -2.131 -2.355 1.00 0.00 C ATOM 469 CG HIS A 29 -13.677 -3.647 -2.205 1.00 0.00 C ATOM 470 ND1 HIS A 29 -14.466 -4.294 -1.496 1.00 0.00 N ATOM 471 CD2 HIS A 29 -12.818 -4.583 -2.753 1.00 0.00 C ATOM 472 CE1 HIS A 29 -14.209 -5.531 -1.526 1.00 0.00 C ATOM 473 NE2 HIS A 29 -13.168 -5.818 -2.307 1.00 0.00 N ATOM 0 H HIS A 29 -13.131 -1.667 -5.058 1.00 0.00 H new ATOM 0 HA HIS A 29 -15.597 -2.167 -3.447 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -12.688 -1.760 -2.524 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -14.057 -1.672 -1.433 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -12.002 -4.367 -3.426 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -14.771 -6.274 -0.979 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -12.746 -6.723 -2.515 1.00 0.00 H new ATOM 481 N PRO A 30 -15.577 0.341 -4.368 1.00 0.00 N ATOM 482 CA PRO A 30 -15.773 1.790 -4.439 1.00 0.00 C ATOM 483 C PRO A 30 -16.497 2.320 -3.185 1.00 0.00 C ATOM 484 O PRO A 30 -17.231 3.286 -3.256 1.00 0.00 O ATOM 485 CB PRO A 30 -16.659 2.008 -5.710 1.00 0.00 C ATOM 486 CG PRO A 30 -17.079 0.590 -6.225 1.00 0.00 C ATOM 487 CD PRO A 30 -16.358 -0.452 -5.334 1.00 0.00 C ATOM 0 HA PRO A 30 -14.824 2.323 -4.491 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -17.538 2.607 -5.469 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -16.105 2.549 -6.478 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -18.160 0.464 -6.167 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -16.799 0.462 -7.271 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -17.074 -1.098 -4.826 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -15.711 -1.098 -5.928 1.00 0.00 H new ATOM 495 N GLY A 31 -16.272 1.683 -2.060 1.00 0.00 N ATOM 496 CA GLY A 31 -16.950 2.153 -0.806 1.00 0.00 C ATOM 497 C GLY A 31 -16.079 1.887 0.430 1.00 0.00 C ATOM 498 O GLY A 31 -16.591 1.733 1.521 1.00 0.00 O ATOM 0 H GLY A 31 -15.661 0.873 -1.954 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -17.162 3.220 -0.882 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -17.908 1.645 -0.695 1.00 0.00 H new ATOM 502 N LEU A 32 -14.781 1.842 0.244 1.00 0.00 N ATOM 503 CA LEU A 32 -13.899 1.587 1.418 1.00 0.00 C ATOM 504 C LEU A 32 -13.807 2.806 2.300 1.00 0.00 C ATOM 505 O LEU A 32 -13.897 3.929 1.842 1.00 0.00 O ATOM 506 CB LEU A 32 -12.438 1.295 0.952 1.00 0.00 C ATOM 507 CG LEU A 32 -12.280 -0.069 0.247 1.00 0.00 C ATOM 508 CD1 LEU A 32 -10.781 -0.417 0.221 1.00 0.00 C ATOM 509 CD2 LEU A 32 -13.002 -1.171 1.022 1.00 0.00 C ATOM 0 H LEU A 32 -14.306 1.968 -0.650 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.331 0.741 1.953 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.116 2.085 0.274 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.775 1.327 1.817 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.703 -0.002 -0.755 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.639 -1.378 -0.273 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.238 0.355 -0.324 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.403 -0.474 1.242 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.876 -2.122 0.505 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.582 -1.245 2.025 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -14.064 -0.933 1.089 1.00 0.00 H new ATOM 521 N SER A 33 -13.627 2.556 3.562 1.00 0.00 N ATOM 522 CA SER A 33 -13.514 3.657 4.525 1.00 0.00 C ATOM 523 C SER A 33 -12.042 3.973 4.688 1.00 0.00 C ATOM 524 O SER A 33 -11.220 3.082 4.615 1.00 0.00 O ATOM 525 CB SER A 33 -14.084 3.197 5.876 1.00 0.00 C ATOM 526 OG SER A 33 -13.236 2.125 6.265 1.00 0.00 O ATOM 0 H SER A 33 -13.554 1.621 3.964 1.00 0.00 H new ATOM 0 HA SER A 33 -14.061 4.535 4.180 1.00 0.00 H new ATOM 0 HB2 SER A 33 -14.069 4.003 6.610 1.00 0.00 H new ATOM 0 HB3 SER A 33 -15.120 2.871 5.781 1.00 0.00 H new ATOM 0 HG SER A 33 -13.533 1.770 7.129 1.00 0.00 H new ATOM 532 N ILE A 34 -11.714 5.212 4.893 1.00 0.00 N ATOM 533 CA ILE A 34 -10.278 5.553 5.055 1.00 0.00 C ATOM 534 C ILE A 34 -9.590 4.564 5.970 1.00 0.00 C ATOM 535 O ILE A 34 -8.403 4.333 5.867 1.00 0.00 O ATOM 536 CB ILE A 34 -10.185 6.947 5.665 1.00 0.00 C ATOM 537 CG1 ILE A 34 -11.045 7.929 4.852 1.00 0.00 C ATOM 538 CG2 ILE A 34 -8.688 7.414 5.666 1.00 0.00 C ATOM 539 CD1 ILE A 34 -10.680 7.846 3.362 1.00 0.00 C ATOM 0 H ILE A 34 -12.366 5.994 4.955 1.00 0.00 H new ATOM 0 HA ILE A 34 -9.788 5.519 4.082 1.00 0.00 H new ATOM 0 HB ILE A 34 -10.554 6.923 6.690 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -12.101 7.698 4.989 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.892 8.945 5.215 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -8.618 8.411 6.102 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -8.090 6.718 6.254 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.314 7.438 4.643 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -11.296 8.546 2.797 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -9.628 8.100 3.230 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -10.857 6.833 3.000 1.00 0.00 H new ATOM 551 N GLY A 35 -10.346 3.999 6.851 1.00 0.00 N ATOM 552 CA GLY A 35 -9.753 3.020 7.779 1.00 0.00 C ATOM 553 C GLY A 35 -9.440 1.732 7.013 1.00 0.00 C ATOM 554 O GLY A 35 -8.336 1.243 7.047 1.00 0.00 O ATOM 0 H GLY A 35 -11.344 4.171 6.969 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -8.843 3.425 8.222 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.442 2.813 8.598 1.00 0.00 H new ATOM 558 N ASP A 36 -10.427 1.237 6.303 1.00 0.00 N ATOM 559 CA ASP A 36 -10.231 -0.012 5.519 1.00 0.00 C ATOM 560 C ASP A 36 -9.148 0.142 4.486 1.00 0.00 C ATOM 561 O ASP A 36 -8.284 -0.702 4.349 1.00 0.00 O ATOM 562 CB ASP A 36 -11.544 -0.323 4.778 1.00 0.00 C ATOM 563 CG ASP A 36 -11.555 -1.793 4.349 1.00 0.00 C ATOM 564 OD1 ASP A 36 -11.033 -2.045 3.276 1.00 0.00 O ATOM 565 OD2 ASP A 36 -12.081 -2.579 5.119 1.00 0.00 O ATOM 0 H ASP A 36 -11.358 1.648 6.236 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.946 -0.807 6.208 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -12.396 -0.116 5.425 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -11.642 0.322 3.905 1.00 0.00 H new ATOM 570 N VAL A 37 -9.212 1.214 3.778 1.00 0.00 N ATOM 571 CA VAL A 37 -8.202 1.453 2.741 1.00 0.00 C ATOM 572 C VAL A 37 -6.815 1.284 3.307 1.00 0.00 C ATOM 573 O VAL A 37 -6.066 0.437 2.888 1.00 0.00 O ATOM 574 CB VAL A 37 -8.353 2.913 2.255 1.00 0.00 C ATOM 575 CG1 VAL A 37 -7.253 3.217 1.250 1.00 0.00 C ATOM 576 CG2 VAL A 37 -9.719 3.100 1.597 1.00 0.00 C ATOM 0 H VAL A 37 -9.924 1.939 3.873 1.00 0.00 H new ATOM 0 HA VAL A 37 -8.344 0.743 1.926 1.00 0.00 H new ATOM 0 HB VAL A 37 -8.273 3.592 3.104 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -7.352 4.245 0.902 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.280 3.087 1.725 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -7.337 2.537 0.402 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.821 4.130 1.256 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.808 2.426 0.745 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -10.504 2.878 2.319 1.00 0.00 H new ATOM 586 N ALA A 38 -6.526 2.069 4.271 1.00 0.00 N ATOM 587 CA ALA A 38 -5.203 2.001 4.900 1.00 0.00 C ATOM 588 C ALA A 38 -4.962 0.686 5.661 1.00 0.00 C ATOM 589 O ALA A 38 -3.853 0.195 5.685 1.00 0.00 O ATOM 590 CB ALA A 38 -5.105 3.176 5.857 1.00 0.00 C ATOM 0 H ALA A 38 -7.157 2.769 4.661 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.441 2.040 4.121 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.132 3.164 6.349 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.220 4.107 5.303 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.892 3.101 6.607 1.00 0.00 H new ATOM 596 N LYS A 39 -5.989 0.132 6.265 1.00 0.00 N ATOM 597 CA LYS A 39 -5.776 -1.144 7.007 1.00 0.00 C ATOM 598 C LYS A 39 -5.359 -2.265 6.058 1.00 0.00 C ATOM 599 O LYS A 39 -4.272 -2.801 6.162 1.00 0.00 O ATOM 600 CB LYS A 39 -7.112 -1.548 7.734 1.00 0.00 C ATOM 601 CG LYS A 39 -7.019 -1.221 9.238 1.00 0.00 C ATOM 602 CD LYS A 39 -7.002 0.299 9.432 1.00 0.00 C ATOM 603 CE LYS A 39 -6.504 0.623 10.846 1.00 0.00 C ATOM 604 NZ LYS A 39 -5.080 0.222 11.005 1.00 0.00 N ATOM 0 H LYS A 39 -6.940 0.500 6.275 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.979 -0.994 7.736 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.952 -1.014 7.290 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.302 -2.613 7.597 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.866 -1.656 9.768 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.117 -1.662 9.662 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.354 0.765 8.690 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.002 0.708 9.283 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.610 1.690 11.039 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.118 0.103 11.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.635 0.806 11.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.030 -0.780 11.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.578 0.359 10.104 1.00 0.00 H new ATOM 618 N LYS A 40 -6.229 -2.597 5.160 1.00 0.00 N ATOM 619 CA LYS A 40 -5.910 -3.673 4.204 1.00 0.00 C ATOM 620 C LYS A 40 -4.590 -3.388 3.512 1.00 0.00 C ATOM 621 O LYS A 40 -3.782 -4.271 3.322 1.00 0.00 O ATOM 622 CB LYS A 40 -7.042 -3.758 3.158 1.00 0.00 C ATOM 623 CG LYS A 40 -7.011 -5.142 2.459 1.00 0.00 C ATOM 624 CD LYS A 40 -8.388 -5.446 1.865 1.00 0.00 C ATOM 625 CE LYS A 40 -8.342 -6.806 1.161 1.00 0.00 C ATOM 626 NZ LYS A 40 -7.261 -6.829 0.135 1.00 0.00 N ATOM 0 H LYS A 40 -7.148 -2.169 5.047 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.822 -4.620 4.737 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.007 -3.606 3.641 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.927 -2.965 2.419 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.255 -5.147 1.673 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.733 -5.916 3.174 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.143 -5.455 2.651 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.673 -4.666 1.158 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.173 -7.595 1.893 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -9.303 -7.010 0.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -7.613 -7.287 -0.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -6.969 -5.855 -0.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -6.446 -7.361 0.501 1.00 0.00 H new ATOM 640 N LEU A 41 -4.391 -2.162 3.129 1.00 0.00 N ATOM 641 CA LEU A 41 -3.119 -1.841 2.456 1.00 0.00 C ATOM 642 C LEU A 41 -1.988 -2.211 3.365 1.00 0.00 C ATOM 643 O LEU A 41 -0.937 -2.638 2.932 1.00 0.00 O ATOM 644 CB LEU A 41 -3.048 -0.322 2.187 1.00 0.00 C ATOM 645 CG LEU A 41 -3.926 0.033 0.990 1.00 0.00 C ATOM 646 CD1 LEU A 41 -4.077 1.551 0.940 1.00 0.00 C ATOM 647 CD2 LEU A 41 -3.260 -0.457 -0.321 1.00 0.00 C ATOM 0 H LEU A 41 -5.042 -1.386 3.251 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.054 -2.389 1.516 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.378 0.228 3.068 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.017 -0.025 1.994 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.900 -0.446 1.091 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.702 1.827 0.091 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.542 1.901 1.861 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.095 2.011 0.832 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.894 -0.199 -1.169 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.287 0.022 -0.436 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.130 -1.538 -0.281 1.00 0.00 H new ATOM 659 N GLY A 42 -2.230 -2.036 4.622 1.00 0.00 N ATOM 660 CA GLY A 42 -1.203 -2.363 5.601 1.00 0.00 C ATOM 661 C GLY A 42 -0.978 -3.878 5.624 1.00 0.00 C ATOM 662 O GLY A 42 0.127 -4.343 5.812 1.00 0.00 O ATOM 0 H GLY A 42 -3.104 -1.678 5.006 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.273 -1.851 5.352 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.504 -2.015 6.589 1.00 0.00 H new ATOM 666 N GLU A 43 -2.048 -4.622 5.432 1.00 0.00 N ATOM 667 CA GLU A 43 -1.926 -6.087 5.436 1.00 0.00 C ATOM 668 C GLU A 43 -1.137 -6.546 4.220 1.00 0.00 C ATOM 669 O GLU A 43 -0.136 -7.220 4.349 1.00 0.00 O ATOM 670 CB GLU A 43 -3.345 -6.688 5.378 1.00 0.00 C ATOM 671 CG GLU A 43 -3.964 -6.658 6.777 1.00 0.00 C ATOM 672 CD GLU A 43 -3.294 -7.722 7.648 1.00 0.00 C ATOM 673 OE1 GLU A 43 -3.107 -8.808 7.127 1.00 0.00 O ATOM 674 OE2 GLU A 43 -3.005 -7.388 8.785 1.00 0.00 O ATOM 0 H GLU A 43 -2.990 -4.263 5.275 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.407 -6.414 6.337 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.964 -6.122 4.682 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.304 -7.712 5.008 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.835 -5.672 7.223 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.037 -6.843 6.717 1.00 0.00 H new ATOM 681 N MET A 44 -1.601 -6.176 3.054 1.00 0.00 N ATOM 682 CA MET A 44 -0.875 -6.590 1.834 1.00 0.00 C ATOM 683 C MET A 44 0.563 -6.143 1.942 1.00 0.00 C ATOM 684 O MET A 44 1.477 -6.878 1.628 1.00 0.00 O ATOM 685 CB MET A 44 -1.543 -5.928 0.600 1.00 0.00 C ATOM 686 CG MET A 44 -2.761 -6.765 0.208 1.00 0.00 C ATOM 687 SD MET A 44 -3.857 -6.111 -1.068 1.00 0.00 S ATOM 688 CE MET A 44 -4.241 -4.549 -0.248 1.00 0.00 C ATOM 0 H MET A 44 -2.439 -5.614 2.902 1.00 0.00 H new ATOM 0 HA MET A 44 -0.909 -7.674 1.725 1.00 0.00 H new ATOM 0 HB2 MET A 44 -1.843 -4.906 0.833 1.00 0.00 H new ATOM 0 HB3 MET A 44 -0.838 -5.872 -0.229 1.00 0.00 H new ATOM 0 HG2 MET A 44 -2.404 -7.740 -0.124 1.00 0.00 H new ATOM 0 HG3 MET A 44 -3.355 -6.932 1.106 1.00 0.00 H new ATOM 0 HE1 MET A 44 -5.267 -4.260 -0.477 1.00 0.00 H new ATOM 0 HE2 MET A 44 -4.130 -4.667 0.830 1.00 0.00 H new ATOM 0 HE3 MET A 44 -3.559 -3.776 -0.601 1.00 0.00 H new ATOM 698 N TRP A 45 0.732 -4.944 2.390 1.00 0.00 N ATOM 699 CA TRP A 45 2.090 -4.412 2.539 1.00 0.00 C ATOM 700 C TRP A 45 2.859 -5.305 3.471 1.00 0.00 C ATOM 701 O TRP A 45 3.862 -5.882 3.111 1.00 0.00 O ATOM 702 CB TRP A 45 1.950 -3.016 3.159 1.00 0.00 C ATOM 703 CG TRP A 45 3.293 -2.485 3.659 1.00 0.00 C ATOM 704 CD1 TRP A 45 3.570 -2.281 4.933 1.00 0.00 C ATOM 705 CD2 TRP A 45 4.256 -2.033 2.891 1.00 0.00 C ATOM 706 NE1 TRP A 45 4.755 -1.668 4.910 1.00 0.00 N ATOM 707 CE2 TRP A 45 5.263 -1.466 3.646 1.00 0.00 C ATOM 708 CE3 TRP A 45 4.332 -2.004 1.522 1.00 0.00 C ATOM 709 CZ2 TRP A 45 6.331 -0.868 3.024 1.00 0.00 C ATOM 710 CZ3 TRP A 45 5.399 -1.406 0.903 1.00 0.00 C ATOM 711 CH2 TRP A 45 6.396 -0.835 1.654 1.00 0.00 C ATOM 0 H TRP A 45 -0.019 -4.309 2.660 1.00 0.00 H new ATOM 0 HA TRP A 45 2.613 -4.363 1.584 1.00 0.00 H new ATOM 0 HB2 TRP A 45 1.539 -2.329 2.420 1.00 0.00 H new ATOM 0 HB3 TRP A 45 1.242 -3.054 3.987 1.00 0.00 H new ATOM 0 HD1 TRP A 45 2.976 -2.548 5.794 1.00 0.00 H new ATOM 0 HE1 TRP A 45 5.243 -1.374 5.756 1.00 0.00 H new ATOM 0 HE3 TRP A 45 3.549 -2.454 0.930 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 7.120 -0.424 3.613 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 5.455 -1.384 -0.175 1.00 0.00 H new ATOM 0 HH2 TRP A 45 7.233 -0.359 1.165 1.00 0.00 H new ATOM 722 N ASN A 46 2.370 -5.399 4.661 1.00 0.00 N ATOM 723 CA ASN A 46 3.043 -6.255 5.664 1.00 0.00 C ATOM 724 C ASN A 46 3.350 -7.626 5.058 1.00 0.00 C ATOM 725 O ASN A 46 4.392 -8.201 5.299 1.00 0.00 O ATOM 726 CB ASN A 46 2.078 -6.456 6.864 1.00 0.00 C ATOM 727 CG ASN A 46 2.221 -5.296 7.851 1.00 0.00 C ATOM 728 OD1 ASN A 46 1.830 -5.394 8.997 1.00 0.00 O ATOM 729 ND2 ASN A 46 2.769 -4.187 7.451 1.00 0.00 N ATOM 0 H ASN A 46 1.531 -4.920 4.988 1.00 0.00 H new ATOM 0 HA ASN A 46 3.971 -5.781 5.983 1.00 0.00 H new ATOM 0 HB2 ASN A 46 1.050 -6.517 6.508 1.00 0.00 H new ATOM 0 HB3 ASN A 46 2.298 -7.399 7.364 1.00 0.00 H new ATOM 0 HD21 ASN A 46 2.869 -3.405 8.098 1.00 0.00 H new ATOM 0 HD22 ASN A 46 3.099 -4.099 6.490 1.00 0.00 H new ATOM 736 N ASN A 47 2.424 -8.118 4.274 1.00 0.00 N ATOM 737 CA ASN A 47 2.623 -9.441 3.639 1.00 0.00 C ATOM 738 C ASN A 47 3.569 -9.357 2.441 1.00 0.00 C ATOM 739 O ASN A 47 4.149 -10.348 2.041 1.00 0.00 O ATOM 740 CB ASN A 47 1.256 -9.955 3.156 1.00 0.00 C ATOM 741 CG ASN A 47 0.436 -10.431 4.359 1.00 0.00 C ATOM 742 OD1 ASN A 47 0.926 -11.134 5.220 1.00 0.00 O ATOM 743 ND2 ASN A 47 -0.818 -10.076 4.452 1.00 0.00 N ATOM 0 H ASN A 47 1.542 -7.656 4.051 1.00 0.00 H new ATOM 0 HA ASN A 47 3.066 -10.114 4.372 1.00 0.00 H new ATOM 0 HB2 ASN A 47 0.723 -9.163 2.629 1.00 0.00 H new ATOM 0 HB3 ASN A 47 1.392 -10.773 2.448 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -1.379 -10.389 5.244 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -1.236 -9.486 3.733 1.00 0.00 H new ATOM 750 N THR A 48 3.705 -8.186 1.884 1.00 0.00 N ATOM 751 CA THR A 48 4.609 -8.044 0.717 1.00 0.00 C ATOM 752 C THR A 48 5.996 -8.582 1.043 1.00 0.00 C ATOM 753 O THR A 48 6.610 -8.178 2.011 1.00 0.00 O ATOM 754 CB THR A 48 4.724 -6.555 0.362 1.00 0.00 C ATOM 755 OG1 THR A 48 3.401 -6.125 0.119 1.00 0.00 O ATOM 756 CG2 THR A 48 5.449 -6.357 -0.982 1.00 0.00 C ATOM 0 H THR A 48 3.234 -7.332 2.184 1.00 0.00 H new ATOM 0 HA THR A 48 4.200 -8.610 -0.120 1.00 0.00 H new ATOM 0 HB THR A 48 5.253 -6.030 1.157 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.773 -6.724 0.575 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.515 -5.292 -1.206 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.453 -6.778 -0.919 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.893 -6.861 -1.773 1.00 0.00 H new ATOM 764 N ALA A 49 6.467 -9.486 0.230 1.00 0.00 N ATOM 765 CA ALA A 49 7.808 -10.058 0.479 1.00 0.00 C ATOM 766 C ALA A 49 8.844 -8.953 0.668 1.00 0.00 C ATOM 767 O ALA A 49 8.831 -7.964 -0.032 1.00 0.00 O ATOM 768 CB ALA A 49 8.204 -10.908 -0.741 1.00 0.00 C ATOM 0 H ALA A 49 5.981 -9.848 -0.590 1.00 0.00 H new ATOM 0 HA ALA A 49 7.776 -10.662 1.386 1.00 0.00 H new ATOM 0 HB1 ALA A 49 9.191 -11.340 -0.578 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.476 -11.708 -0.879 1.00 0.00 H new ATOM 0 HB3 ALA A 49 8.225 -10.279 -1.631 1.00 0.00 H new ATOM 774 N ALA A 50 9.720 -9.137 1.616 1.00 0.00 N ATOM 775 CA ALA A 50 10.752 -8.107 1.853 1.00 0.00 C ATOM 776 C ALA A 50 11.456 -7.744 0.551 1.00 0.00 C ATOM 777 O ALA A 50 11.744 -6.593 0.295 1.00 0.00 O ATOM 778 CB ALA A 50 11.786 -8.678 2.833 1.00 0.00 C ATOM 0 H ALA A 50 9.761 -9.951 2.229 1.00 0.00 H new ATOM 0 HA ALA A 50 10.281 -7.211 2.258 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.558 -7.933 3.022 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.294 -8.937 3.771 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.241 -9.571 2.403 1.00 0.00 H new ATOM 784 N ASP A 51 11.719 -8.742 -0.251 1.00 0.00 N ATOM 785 CA ASP A 51 12.400 -8.488 -1.536 1.00 0.00 C ATOM 786 C ASP A 51 11.513 -7.672 -2.484 1.00 0.00 C ATOM 787 O ASP A 51 12.003 -7.028 -3.390 1.00 0.00 O ATOM 788 CB ASP A 51 12.711 -9.846 -2.190 1.00 0.00 C ATOM 789 CG ASP A 51 13.381 -9.616 -3.545 1.00 0.00 C ATOM 790 OD1 ASP A 51 14.372 -8.905 -3.544 1.00 0.00 O ATOM 791 OD2 ASP A 51 12.866 -10.166 -4.504 1.00 0.00 O ATOM 0 H ASP A 51 11.489 -9.718 -0.064 1.00 0.00 H new ATOM 0 HA ASP A 51 13.311 -7.920 -1.348 1.00 0.00 H new ATOM 0 HB2 ASP A 51 13.364 -10.432 -1.544 1.00 0.00 H new ATOM 0 HB3 ASP A 51 11.793 -10.419 -2.319 1.00 0.00 H new ATOM 796 N ASP A 52 10.221 -7.716 -2.255 1.00 0.00 N ATOM 797 CA ASP A 52 9.285 -6.946 -3.137 1.00 0.00 C ATOM 798 C ASP A 52 9.127 -5.505 -2.651 1.00 0.00 C ATOM 799 O ASP A 52 8.594 -4.669 -3.351 1.00 0.00 O ATOM 800 CB ASP A 52 7.913 -7.633 -3.086 1.00 0.00 C ATOM 801 CG ASP A 52 7.943 -8.890 -3.957 1.00 0.00 C ATOM 802 OD1 ASP A 52 8.916 -9.614 -3.829 1.00 0.00 O ATOM 803 OD2 ASP A 52 6.990 -9.056 -4.701 1.00 0.00 O ATOM 0 H ASP A 52 9.778 -8.245 -1.504 1.00 0.00 H new ATOM 0 HA ASP A 52 9.687 -6.926 -4.150 1.00 0.00 H new ATOM 0 HB2 ASP A 52 7.663 -7.895 -2.058 1.00 0.00 H new ATOM 0 HB3 ASP A 52 7.139 -6.951 -3.438 1.00 0.00 H new ATOM 808 N LYS A 53 9.571 -5.255 -1.456 1.00 0.00 N ATOM 809 CA LYS A 53 9.462 -3.878 -0.896 1.00 0.00 C ATOM 810 C LYS A 53 10.606 -3.009 -1.410 1.00 0.00 C ATOM 811 O LYS A 53 10.602 -1.803 -1.256 1.00 0.00 O ATOM 812 CB LYS A 53 9.587 -3.986 0.635 1.00 0.00 C ATOM 813 CG LYS A 53 8.253 -4.430 1.235 1.00 0.00 C ATOM 814 CD LYS A 53 8.317 -4.267 2.759 1.00 0.00 C ATOM 815 CE LYS A 53 7.035 -4.825 3.388 1.00 0.00 C ATOM 816 NZ LYS A 53 7.233 -5.070 4.844 1.00 0.00 N ATOM 0 H LYS A 53 10.005 -5.942 -0.840 1.00 0.00 H new ATOM 0 HA LYS A 53 8.512 -3.432 -1.192 1.00 0.00 H new ATOM 0 HB2 LYS A 53 10.369 -4.700 0.895 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.882 -3.024 1.053 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.438 -3.833 0.826 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.049 -5.469 0.975 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.187 -4.791 3.155 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.434 -3.215 3.018 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.214 -4.123 3.239 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.754 -5.754 2.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.355 -5.448 5.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.002 -5.757 4.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.480 -4.177 5.316 1.00 0.00 H new ATOM 830 N GLN A 54 11.555 -3.652 -2.007 1.00 0.00 N ATOM 831 CA GLN A 54 12.726 -2.940 -2.552 1.00 0.00 C ATOM 832 C GLN A 54 12.354 -1.652 -3.366 1.00 0.00 C ATOM 833 O GLN A 54 12.780 -0.581 -3.028 1.00 0.00 O ATOM 834 CB GLN A 54 13.502 -3.944 -3.451 1.00 0.00 C ATOM 835 CG GLN A 54 14.750 -4.465 -2.710 1.00 0.00 C ATOM 836 CD GLN A 54 14.324 -5.166 -1.414 1.00 0.00 C ATOM 837 OE1 GLN A 54 13.187 -5.094 -0.999 1.00 0.00 O ATOM 838 NE2 GLN A 54 15.208 -5.853 -0.746 1.00 0.00 N ATOM 0 H GLN A 54 11.568 -4.663 -2.143 1.00 0.00 H new ATOM 0 HA GLN A 54 13.335 -2.588 -1.719 1.00 0.00 H new ATOM 0 HB2 GLN A 54 12.855 -4.779 -3.720 1.00 0.00 H new ATOM 0 HB3 GLN A 54 13.798 -3.458 -4.381 1.00 0.00 H new ATOM 0 HG2 GLN A 54 15.300 -5.158 -3.346 1.00 0.00 H new ATOM 0 HG3 GLN A 54 15.423 -3.638 -2.484 1.00 0.00 H new ATOM 0 HE21 GLN A 54 16.167 -5.919 -1.088 1.00 0.00 H new ATOM 0 HE22 GLN A 54 14.941 -6.324 0.118 1.00 0.00 H new ATOM 847 N PRO A 55 11.566 -1.777 -4.419 1.00 0.00 N ATOM 848 CA PRO A 55 11.197 -0.603 -5.207 1.00 0.00 C ATOM 849 C PRO A 55 10.744 0.567 -4.345 1.00 0.00 C ATOM 850 O PRO A 55 11.108 1.696 -4.587 1.00 0.00 O ATOM 851 CB PRO A 55 10.022 -1.086 -6.110 1.00 0.00 C ATOM 852 CG PRO A 55 9.930 -2.641 -5.952 1.00 0.00 C ATOM 853 CD PRO A 55 10.967 -3.047 -4.871 1.00 0.00 C ATOM 0 HA PRO A 55 12.053 -0.234 -5.771 1.00 0.00 H new ATOM 0 HB2 PRO A 55 9.087 -0.612 -5.811 1.00 0.00 H new ATOM 0 HB3 PRO A 55 10.199 -0.814 -7.151 1.00 0.00 H new ATOM 0 HG2 PRO A 55 8.925 -2.940 -5.654 1.00 0.00 H new ATOM 0 HG3 PRO A 55 10.144 -3.138 -6.898 1.00 0.00 H new ATOM 0 HD2 PRO A 55 10.490 -3.574 -4.045 1.00 0.00 H new ATOM 0 HD3 PRO A 55 11.723 -3.716 -5.281 1.00 0.00 H new ATOM 861 N TYR A 56 9.971 0.275 -3.367 1.00 0.00 N ATOM 862 CA TYR A 56 9.483 1.364 -2.481 1.00 0.00 C ATOM 863 C TYR A 56 10.575 1.935 -1.596 1.00 0.00 C ATOM 864 O TYR A 56 10.882 3.109 -1.680 1.00 0.00 O ATOM 865 CB TYR A 56 8.377 0.804 -1.609 1.00 0.00 C ATOM 866 CG TYR A 56 7.205 0.430 -2.500 1.00 0.00 C ATOM 867 CD1 TYR A 56 6.436 1.413 -3.063 1.00 0.00 C ATOM 868 CD2 TYR A 56 6.891 -0.885 -2.732 1.00 0.00 C ATOM 869 CE1 TYR A 56 5.350 1.092 -3.846 1.00 0.00 C ATOM 870 CE2 TYR A 56 5.805 -1.216 -3.518 1.00 0.00 C ATOM 871 CZ TYR A 56 5.025 -0.227 -4.083 1.00 0.00 C ATOM 872 OH TYR A 56 3.939 -0.552 -4.871 1.00 0.00 O ATOM 0 H TYR A 56 9.648 -0.663 -3.131 1.00 0.00 H new ATOM 0 HA TYR A 56 9.126 2.178 -3.112 1.00 0.00 H new ATOM 0 HB2 TYR A 56 8.731 -0.070 -1.062 1.00 0.00 H new ATOM 0 HB3 TYR A 56 8.069 1.541 -0.867 1.00 0.00 H new ATOM 0 HD1 TYR A 56 6.684 2.450 -2.891 1.00 0.00 H new ATOM 0 HD2 TYR A 56 7.497 -1.666 -2.297 1.00 0.00 H new ATOM 0 HE1 TYR A 56 4.749 1.878 -4.277 1.00 0.00 H new ATOM 0 HE2 TYR A 56 5.564 -2.254 -3.692 1.00 0.00 H new ATOM 0 HH TYR A 56 3.859 -1.527 -4.931 1.00 0.00 H new ATOM 882 N GLU A 57 11.151 1.119 -0.763 1.00 0.00 N ATOM 883 CA GLU A 57 12.221 1.653 0.115 1.00 0.00 C ATOM 884 C GLU A 57 13.291 2.290 -0.739 1.00 0.00 C ATOM 885 O GLU A 57 13.811 3.345 -0.433 1.00 0.00 O ATOM 886 CB GLU A 57 12.818 0.489 0.952 1.00 0.00 C ATOM 887 CG GLU A 57 13.789 -0.333 0.111 1.00 0.00 C ATOM 888 CD GLU A 57 14.123 -1.635 0.841 1.00 0.00 C ATOM 889 OE1 GLU A 57 13.351 -2.566 0.666 1.00 0.00 O ATOM 890 OE2 GLU A 57 15.129 -1.628 1.529 1.00 0.00 O ATOM 0 H GLU A 57 10.934 0.128 -0.653 1.00 0.00 H new ATOM 0 HA GLU A 57 11.814 2.405 0.791 1.00 0.00 H new ATOM 0 HB2 GLU A 57 13.333 0.889 1.825 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.016 -0.150 1.320 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.348 -0.552 -0.862 1.00 0.00 H new ATOM 0 HG3 GLU A 57 14.700 0.237 -0.073 1.00 0.00 H new ATOM 897 N LYS A 58 13.592 1.621 -1.795 1.00 0.00 N ATOM 898 CA LYS A 58 14.617 2.128 -2.720 1.00 0.00 C ATOM 899 C LYS A 58 14.212 3.499 -3.234 1.00 0.00 C ATOM 900 O LYS A 58 15.021 4.403 -3.303 1.00 0.00 O ATOM 901 CB LYS A 58 14.739 1.147 -3.915 1.00 0.00 C ATOM 902 CG LYS A 58 15.915 1.574 -4.822 1.00 0.00 C ATOM 903 CD LYS A 58 17.265 1.301 -4.108 1.00 0.00 C ATOM 904 CE LYS A 58 18.376 1.158 -5.155 1.00 0.00 C ATOM 905 NZ LYS A 58 19.678 0.846 -4.496 1.00 0.00 N ATOM 0 H LYS A 58 13.167 0.733 -2.062 1.00 0.00 H new ATOM 0 HA LYS A 58 15.572 2.209 -2.202 1.00 0.00 H new ATOM 0 HB2 LYS A 58 14.898 0.132 -3.550 1.00 0.00 H new ATOM 0 HB3 LYS A 58 13.811 1.138 -4.487 1.00 0.00 H new ATOM 0 HG2 LYS A 58 15.876 1.027 -5.764 1.00 0.00 H new ATOM 0 HG3 LYS A 58 15.831 2.633 -5.065 1.00 0.00 H new ATOM 0 HD2 LYS A 58 17.498 2.117 -3.423 1.00 0.00 H new ATOM 0 HD3 LYS A 58 17.195 0.393 -3.510 1.00 0.00 H new ATOM 0 HE2 LYS A 58 18.120 0.367 -5.860 1.00 0.00 H new ATOM 0 HE3 LYS A 58 18.464 2.081 -5.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 20.420 0.752 -5.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 19.928 1.614 -3.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 19.595 -0.046 -3.968 1.00 0.00 H new ATOM 919 N LYS A 59 12.957 3.637 -3.588 1.00 0.00 N ATOM 920 CA LYS A 59 12.498 4.941 -4.090 1.00 0.00 C ATOM 921 C LYS A 59 12.774 5.995 -3.053 1.00 0.00 C ATOM 922 O LYS A 59 13.380 7.004 -3.322 1.00 0.00 O ATOM 923 CB LYS A 59 10.978 4.878 -4.343 1.00 0.00 C ATOM 924 CG LYS A 59 10.563 6.099 -5.179 1.00 0.00 C ATOM 925 CD LYS A 59 9.121 5.929 -5.664 1.00 0.00 C ATOM 926 CE LYS A 59 8.825 6.998 -6.724 1.00 0.00 C ATOM 927 NZ LYS A 59 7.443 6.839 -7.262 1.00 0.00 N ATOM 0 H LYS A 59 12.248 2.904 -3.547 1.00 0.00 H new ATOM 0 HA LYS A 59 13.021 5.183 -5.015 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.721 3.957 -4.867 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.438 4.868 -3.396 1.00 0.00 H new ATOM 0 HG2 LYS A 59 10.651 7.007 -4.582 1.00 0.00 H new ATOM 0 HG3 LYS A 59 11.232 6.212 -6.032 1.00 0.00 H new ATOM 0 HD2 LYS A 59 8.979 4.933 -6.083 1.00 0.00 H new ATOM 0 HD3 LYS A 59 8.428 6.025 -4.828 1.00 0.00 H new ATOM 0 HE2 LYS A 59 8.939 7.991 -6.288 1.00 0.00 H new ATOM 0 HE3 LYS A 59 9.548 6.922 -7.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.263 7.572 -7.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 7.346 5.899 -7.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.756 6.935 -6.487 1.00 0.00 H new ATOM 941 N ALA A 60 12.313 5.743 -1.875 1.00 0.00 N ATOM 942 CA ALA A 60 12.536 6.714 -0.797 1.00 0.00 C ATOM 943 C ALA A 60 14.028 7.063 -0.705 1.00 0.00 C ATOM 944 O ALA A 60 14.387 8.186 -0.446 1.00 0.00 O ATOM 945 CB ALA A 60 12.057 6.074 0.539 1.00 0.00 C ATOM 0 H ALA A 60 11.792 4.906 -1.614 1.00 0.00 H new ATOM 0 HA ALA A 60 11.980 7.630 -0.996 1.00 0.00 H new ATOM 0 HB1 ALA A 60 12.213 6.778 1.356 1.00 0.00 H new ATOM 0 HB2 ALA A 60 10.997 5.831 0.467 1.00 0.00 H new ATOM 0 HB3 ALA A 60 12.625 5.164 0.731 1.00 0.00 H new