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 35:sc= 0.337 USER MOD Single : A 18 CYS SG : rot 180:sc= -1.28 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+ -149:sc= 0 (180deg=-0.878) USER MOD Single : A 29 HIS : no HD1:sc= -0.252 X(o=-0.25,f=-0.0018) 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+ -165:sc=-0.000214 (180deg=-0.259) USER MOD Single : A 44 MET CE :methyl -171:sc= -0.315 (180deg=-0.57) USER MOD Single : A 46 ASN : amide:sc= -1.08 K(o=-1.1,f=-3.2!) USER MOD Single : A 47 ASN :FLIP amide:sc= -1.98 F(o=-2.8,f=-2) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.00288 USER MOD Single : A 53 LYS NZ :NH3+ 155:sc= 0.576 (180deg=-0.0158!) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-1!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.628) USER MOD Single : A 59 LYS NZ :NH3+ -157:sc= -0.0568 (180deg=-0.91) USER MOD ----------------------------------------------------------------- ATOM 183 N SER A 12 5.765 7.835 3.096 1.00 0.00 N ATOM 184 CA SER A 12 6.123 6.565 3.799 1.00 0.00 C ATOM 185 C SER A 12 6.420 5.466 2.783 1.00 0.00 C ATOM 186 O SER A 12 6.077 5.583 1.623 1.00 0.00 O ATOM 187 CB SER A 12 4.935 6.125 4.671 1.00 0.00 C ATOM 188 OG SER A 12 4.701 7.234 5.524 1.00 0.00 O ATOM 0 HA SER A 12 7.007 6.735 4.414 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.059 5.897 4.064 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.171 5.226 5.241 1.00 0.00 H new ATOM 0 HG SER A 12 4.886 8.065 5.038 1.00 0.00 H new ATOM 194 N ALA A 13 7.046 4.413 3.234 1.00 0.00 N ATOM 195 CA ALA A 13 7.371 3.306 2.306 1.00 0.00 C ATOM 196 C ALA A 13 6.136 2.687 1.721 1.00 0.00 C ATOM 197 O ALA A 13 6.050 2.465 0.529 1.00 0.00 O ATOM 198 CB ALA A 13 8.105 2.204 3.087 1.00 0.00 C ATOM 0 H ALA A 13 7.343 4.277 4.200 1.00 0.00 H new ATOM 0 HA ALA A 13 7.981 3.718 1.502 1.00 0.00 H new ATOM 0 HB1 ALA A 13 8.350 1.382 2.414 1.00 0.00 H new ATOM 0 HB2 ALA A 13 9.023 2.610 3.513 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.464 1.837 3.889 1.00 0.00 H new ATOM 204 N PHE A 14 5.195 2.411 2.567 1.00 0.00 N ATOM 205 CA PHE A 14 3.942 1.792 2.083 1.00 0.00 C ATOM 206 C PHE A 14 2.986 2.821 1.452 1.00 0.00 C ATOM 207 O PHE A 14 1.976 2.458 0.892 1.00 0.00 O ATOM 208 CB PHE A 14 3.295 1.022 3.295 1.00 0.00 C ATOM 209 CG PHE A 14 1.816 1.363 3.534 1.00 0.00 C ATOM 210 CD1 PHE A 14 1.423 2.660 3.773 1.00 0.00 C ATOM 211 CD2 PHE A 14 0.864 0.351 3.557 1.00 0.00 C ATOM 212 CE1 PHE A 14 0.101 2.954 4.031 1.00 0.00 C ATOM 213 CE2 PHE A 14 -0.452 0.637 3.817 1.00 0.00 C ATOM 214 CZ PHE A 14 -0.841 1.941 4.054 1.00 0.00 C ATOM 0 H PHE A 14 5.239 2.587 3.571 1.00 0.00 H new ATOM 0 HA PHE A 14 4.158 1.091 1.277 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.387 -0.050 3.122 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.860 1.248 4.199 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.156 3.453 3.758 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.163 -0.670 3.369 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.199 3.975 4.215 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.184 -0.157 3.836 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.877 2.169 4.257 1.00 0.00 H new ATOM 224 N PHE A 15 3.282 4.087 1.581 1.00 0.00 N ATOM 225 CA PHE A 15 2.356 5.067 0.959 1.00 0.00 C ATOM 226 C PHE A 15 2.541 4.968 -0.524 1.00 0.00 C ATOM 227 O PHE A 15 1.603 5.031 -1.291 1.00 0.00 O ATOM 228 CB PHE A 15 2.691 6.493 1.404 1.00 0.00 C ATOM 229 CG PHE A 15 1.742 7.451 0.677 1.00 0.00 C ATOM 230 CD1 PHE A 15 0.411 7.534 1.050 1.00 0.00 C ATOM 231 CD2 PHE A 15 2.190 8.216 -0.382 1.00 0.00 C ATOM 232 CE1 PHE A 15 -0.453 8.369 0.374 1.00 0.00 C ATOM 233 CE2 PHE A 15 1.322 9.053 -1.057 1.00 0.00 C ATOM 234 CZ PHE A 15 0.002 9.128 -0.680 1.00 0.00 C ATOM 0 H PHE A 15 4.091 4.471 2.070 1.00 0.00 H new ATOM 0 HA PHE A 15 1.330 4.849 1.257 1.00 0.00 H new ATOM 0 HB2 PHE A 15 2.579 6.592 2.484 1.00 0.00 H new ATOM 0 HB3 PHE A 15 3.728 6.732 1.168 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.047 6.941 1.876 1.00 0.00 H new ATOM 0 HD2 PHE A 15 3.225 8.160 -0.684 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -1.489 8.428 0.672 1.00 0.00 H new ATOM 0 HE2 PHE A 15 1.681 9.650 -1.882 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.676 9.781 -1.210 1.00 0.00 H new ATOM 244 N LEU A 16 3.775 4.816 -0.898 1.00 0.00 N ATOM 245 CA LEU A 16 4.097 4.699 -2.318 1.00 0.00 C ATOM 246 C LEU A 16 3.425 3.465 -2.844 1.00 0.00 C ATOM 247 O LEU A 16 3.164 3.329 -4.021 1.00 0.00 O ATOM 248 CB LEU A 16 5.614 4.494 -2.444 1.00 0.00 C ATOM 249 CG LEU A 16 6.363 5.624 -1.736 1.00 0.00 C ATOM 250 CD1 LEU A 16 7.847 5.237 -1.635 1.00 0.00 C ATOM 251 CD2 LEU A 16 6.218 6.914 -2.547 1.00 0.00 C ATOM 0 H LEU A 16 4.574 4.769 -0.266 1.00 0.00 H new ATOM 0 HA LEU A 16 3.774 5.585 -2.864 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.895 3.534 -2.010 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.898 4.464 -3.496 1.00 0.00 H new ATOM 0 HG LEU A 16 5.953 5.783 -0.739 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.397 6.032 -1.132 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.944 4.313 -1.066 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.254 5.091 -2.636 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.751 7.721 -2.045 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.637 6.767 -3.543 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.163 7.174 -2.632 1.00 0.00 H new ATOM 263 N PHE A 17 3.154 2.579 -1.929 1.00 0.00 N ATOM 264 CA PHE A 17 2.499 1.317 -2.282 1.00 0.00 C ATOM 265 C PHE A 17 0.981 1.489 -2.245 1.00 0.00 C ATOM 266 O PHE A 17 0.260 0.850 -2.975 1.00 0.00 O ATOM 267 CB PHE A 17 2.939 0.317 -1.234 1.00 0.00 C ATOM 268 CG PHE A 17 2.168 -0.955 -1.354 1.00 0.00 C ATOM 269 CD1 PHE A 17 0.916 -1.052 -0.783 1.00 0.00 C ATOM 270 CD2 PHE A 17 2.729 -2.051 -1.959 1.00 0.00 C ATOM 271 CE1 PHE A 17 0.235 -2.232 -0.814 1.00 0.00 C ATOM 272 CE2 PHE A 17 2.047 -3.232 -1.994 1.00 0.00 C ATOM 273 CZ PHE A 17 0.801 -3.322 -1.414 1.00 0.00 C ATOM 0 H PHE A 17 3.367 2.689 -0.938 1.00 0.00 H new ATOM 0 HA PHE A 17 2.767 0.988 -3.286 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.004 0.113 -1.345 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.797 0.740 -0.240 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.473 -0.188 -0.309 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.709 -1.979 -2.407 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.746 -2.305 -0.367 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.483 -4.095 -2.476 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.267 -4.261 -1.433 1.00 0.00 H new ATOM 283 N CYS A 18 0.517 2.314 -1.348 1.00 0.00 N ATOM 284 CA CYS A 18 -0.934 2.530 -1.265 1.00 0.00 C ATOM 285 C CYS A 18 -1.447 3.053 -2.596 1.00 0.00 C ATOM 286 O CYS A 18 -2.167 2.369 -3.295 1.00 0.00 O ATOM 287 CB CYS A 18 -1.215 3.589 -0.181 1.00 0.00 C ATOM 288 SG CYS A 18 -2.865 4.340 -0.157 1.00 0.00 S ATOM 0 H CYS A 18 1.082 2.838 -0.680 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.431 1.591 -1.022 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -1.040 3.130 0.792 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.483 4.388 -0.293 1.00 0.00 H new ATOM 0 HG CYS A 18 -2.935 5.203 0.812 1.00 0.00 H new ATOM 294 N SER A 19 -1.034 4.260 -2.936 1.00 0.00 N ATOM 295 CA SER A 19 -1.473 4.875 -4.222 1.00 0.00 C ATOM 296 C SER A 19 -1.498 3.842 -5.328 1.00 0.00 C ATOM 297 O SER A 19 -2.314 3.899 -6.225 1.00 0.00 O ATOM 298 CB SER A 19 -0.460 5.970 -4.596 1.00 0.00 C ATOM 299 OG SER A 19 -0.909 6.444 -5.854 1.00 0.00 O ATOM 0 H SER A 19 -0.412 4.839 -2.372 1.00 0.00 H new ATOM 0 HA SER A 19 -2.476 5.285 -4.102 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.443 6.767 -3.853 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.552 5.571 -4.659 1.00 0.00 H new ATOM 0 HG SER A 19 -0.312 7.155 -6.168 1.00 0.00 H new ATOM 305 N GLU A 20 -0.594 2.914 -5.243 1.00 0.00 N ATOM 306 CA GLU A 20 -0.536 1.862 -6.268 1.00 0.00 C ATOM 307 C GLU A 20 -1.703 0.886 -6.080 1.00 0.00 C ATOM 308 O GLU A 20 -2.435 0.606 -7.008 1.00 0.00 O ATOM 309 CB GLU A 20 0.822 1.119 -6.122 1.00 0.00 C ATOM 310 CG GLU A 20 0.825 -0.160 -6.952 1.00 0.00 C ATOM 311 CD GLU A 20 0.389 0.161 -8.385 1.00 0.00 C ATOM 312 OE1 GLU A 20 1.081 0.959 -8.995 1.00 0.00 O ATOM 313 OE2 GLU A 20 -0.612 -0.410 -8.787 1.00 0.00 O ATOM 0 H GLU A 20 0.106 2.844 -4.504 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.615 2.297 -7.264 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.635 1.770 -6.444 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.001 0.879 -5.074 1.00 0.00 H new ATOM 0 HG2 GLU A 20 1.821 -0.603 -6.954 1.00 0.00 H new ATOM 0 HG3 GLU A 20 0.151 -0.894 -6.511 1.00 0.00 H new ATOM 320 N TYR A 21 -1.859 0.387 -4.868 1.00 0.00 N ATOM 321 CA TYR A 21 -2.967 -0.567 -4.589 1.00 0.00 C ATOM 322 C TYR A 21 -4.181 0.113 -3.956 1.00 0.00 C ATOM 323 O TYR A 21 -4.989 -0.537 -3.335 1.00 0.00 O ATOM 324 CB TYR A 21 -2.431 -1.597 -3.593 1.00 0.00 C ATOM 325 CG TYR A 21 -1.529 -2.584 -4.303 1.00 0.00 C ATOM 326 CD1 TYR A 21 -2.052 -3.731 -4.857 1.00 0.00 C ATOM 327 CD2 TYR A 21 -0.170 -2.371 -4.351 1.00 0.00 C ATOM 328 CE1 TYR A 21 -1.223 -4.661 -5.448 1.00 0.00 C ATOM 329 CE2 TYR A 21 0.663 -3.299 -4.938 1.00 0.00 C ATOM 330 CZ TYR A 21 0.142 -4.452 -5.494 1.00 0.00 C ATOM 331 OH TYR A 21 0.972 -5.382 -6.082 1.00 0.00 O ATOM 0 H TYR A 21 -1.263 0.605 -4.069 1.00 0.00 H new ATOM 0 HA TYR A 21 -3.290 -1.010 -5.531 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.879 -1.094 -2.799 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -3.260 -2.124 -3.121 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -3.118 -3.903 -4.828 1.00 0.00 H new ATOM 0 HD2 TYR A 21 0.247 -1.470 -3.926 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.643 -5.558 -5.878 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.728 -3.124 -4.964 1.00 0.00 H new ATOM 0 HH TYR A 21 1.900 -5.073 -6.026 1.00 0.00 H new ATOM 341 N ARG A 22 -4.291 1.394 -4.109 1.00 0.00 N ATOM 342 CA ARG A 22 -5.470 2.102 -3.504 1.00 0.00 C ATOM 343 C ARG A 22 -6.703 2.120 -4.436 1.00 0.00 C ATOM 344 O ARG A 22 -7.816 2.037 -3.964 1.00 0.00 O ATOM 345 CB ARG A 22 -5.087 3.572 -3.152 1.00 0.00 C ATOM 346 CG ARG A 22 -5.979 4.072 -1.985 1.00 0.00 C ATOM 347 CD ARG A 22 -6.013 5.618 -1.986 1.00 0.00 C ATOM 348 NE ARG A 22 -4.731 6.137 -2.549 1.00 0.00 N ATOM 349 CZ ARG A 22 -4.412 7.392 -2.378 1.00 0.00 C ATOM 350 NH1 ARG A 22 -5.231 8.167 -1.720 1.00 0.00 N ATOM 351 NH2 ARG A 22 -3.281 7.829 -2.862 1.00 0.00 N ATOM 0 H ARG A 22 -3.633 1.986 -4.617 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.738 1.546 -2.606 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.036 3.628 -2.870 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.218 4.212 -4.024 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.989 3.676 -2.090 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.590 3.707 -1.034 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.855 5.975 -2.579 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.156 5.991 -0.972 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.108 5.515 -3.064 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.103 7.790 -1.349 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.999 9.150 -1.577 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.662 7.193 -3.365 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.017 8.806 -2.737 1.00 0.00 H new ATOM 365 N PRO A 23 -6.495 2.234 -5.751 1.00 0.00 N ATOM 366 CA PRO A 23 -7.620 2.260 -6.688 1.00 0.00 C ATOM 367 C PRO A 23 -8.116 0.843 -7.033 1.00 0.00 C ATOM 368 O PRO A 23 -9.289 0.639 -7.279 1.00 0.00 O ATOM 369 CB PRO A 23 -7.030 2.942 -7.962 1.00 0.00 C ATOM 370 CG PRO A 23 -5.466 2.910 -7.808 1.00 0.00 C ATOM 371 CD PRO A 23 -5.165 2.380 -6.380 1.00 0.00 C ATOM 0 HA PRO A 23 -8.480 2.783 -6.270 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -7.341 2.414 -8.863 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -7.389 3.967 -8.054 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -5.017 2.264 -8.562 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -5.044 3.905 -7.948 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -4.635 1.428 -6.414 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -4.537 3.075 -5.823 1.00 0.00 H new ATOM 379 N LYS A 24 -7.215 -0.104 -7.040 1.00 0.00 N ATOM 380 CA LYS A 24 -7.616 -1.481 -7.362 1.00 0.00 C ATOM 381 C LYS A 24 -8.694 -1.964 -6.410 1.00 0.00 C ATOM 382 O LYS A 24 -9.767 -2.355 -6.827 1.00 0.00 O ATOM 383 CB LYS A 24 -6.383 -2.382 -7.218 1.00 0.00 C ATOM 384 CG LYS A 24 -5.227 -1.830 -8.068 1.00 0.00 C ATOM 385 CD LYS A 24 -5.670 -1.695 -9.539 1.00 0.00 C ATOM 386 CE LYS A 24 -4.429 -1.652 -10.440 1.00 0.00 C ATOM 387 NZ LYS A 24 -4.821 -1.468 -11.867 1.00 0.00 N ATOM 0 H LYS A 24 -6.224 0.028 -6.836 1.00 0.00 H new ATOM 0 HA LYS A 24 -8.011 -1.515 -8.377 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.082 -2.437 -6.172 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.625 -3.397 -7.533 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.914 -0.859 -7.684 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.365 -2.494 -7.999 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.307 -2.535 -9.818 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.261 -0.789 -9.671 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.776 -0.837 -10.129 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.861 -2.576 -10.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.968 -1.441 -12.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.426 -2.259 -12.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.343 -0.575 -11.971 1.00 0.00 H new ATOM 401 N ILE A 25 -8.394 -1.927 -5.147 1.00 0.00 N ATOM 402 CA ILE A 25 -9.384 -2.379 -4.155 1.00 0.00 C ATOM 403 C ILE A 25 -10.553 -1.387 -4.090 1.00 0.00 C ATOM 404 O ILE A 25 -11.689 -1.752 -4.314 1.00 0.00 O ATOM 405 CB ILE A 25 -8.686 -2.483 -2.754 1.00 0.00 C ATOM 406 CG1 ILE A 25 -7.386 -1.653 -2.740 1.00 0.00 C ATOM 407 CG2 ILE A 25 -8.324 -3.976 -2.482 1.00 0.00 C ATOM 408 CD1 ILE A 25 -6.965 -1.358 -1.287 1.00 0.00 C ATOM 0 H ILE A 25 -7.506 -1.603 -4.764 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.775 -3.355 -4.443 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.364 -2.103 -1.990 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.593 -2.196 -3.254 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.535 -0.719 -3.281 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -7.838 -4.061 -1.510 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -9.233 -4.578 -2.487 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -7.648 -4.334 -3.259 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -6.046 -0.772 -1.286 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -7.754 -0.797 -0.786 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -6.797 -2.297 -0.759 1.00 0.00 H new ATOM 420 N LYS A 26 -10.251 -0.154 -3.785 1.00 0.00 N ATOM 421 CA LYS A 26 -11.332 0.852 -3.708 1.00 0.00 C ATOM 422 C LYS A 26 -12.133 0.828 -5.000 1.00 0.00 C ATOM 423 O LYS A 26 -13.307 1.140 -5.016 1.00 0.00 O ATOM 424 CB LYS A 26 -10.688 2.254 -3.515 1.00 0.00 C ATOM 425 CG LYS A 26 -11.786 3.339 -3.358 1.00 0.00 C ATOM 426 CD LYS A 26 -12.278 3.392 -1.897 1.00 0.00 C ATOM 427 CE LYS A 26 -13.403 4.444 -1.778 1.00 0.00 C ATOM 428 NZ LYS A 26 -13.478 4.978 -0.388 1.00 0.00 N ATOM 0 H LYS A 26 -9.312 0.191 -3.589 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.996 0.631 -2.873 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -10.046 2.248 -2.634 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.054 2.490 -4.370 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -11.391 4.312 -3.652 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -12.621 3.120 -4.023 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -12.645 2.413 -1.588 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -11.453 3.647 -1.232 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -13.221 5.260 -2.477 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -14.358 3.996 -2.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -14.461 5.236 -0.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -13.153 4.251 0.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -12.872 5.820 -0.306 1.00 0.00 H new ATOM 442 N GLY A 27 -11.484 0.437 -6.062 1.00 0.00 N ATOM 443 CA GLY A 27 -12.187 0.383 -7.362 1.00 0.00 C ATOM 444 C GLY A 27 -13.379 -0.551 -7.251 1.00 0.00 C ATOM 445 O GLY A 27 -14.510 -0.160 -7.455 1.00 0.00 O ATOM 0 H GLY A 27 -10.504 0.155 -6.081 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -12.518 1.381 -7.651 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.509 0.034 -8.141 1.00 0.00 H new ATOM 449 N GLU A 28 -13.092 -1.774 -6.927 1.00 0.00 N ATOM 450 CA GLU A 28 -14.160 -2.764 -6.787 1.00 0.00 C ATOM 451 C GLU A 28 -14.910 -2.539 -5.476 1.00 0.00 C ATOM 452 O GLU A 28 -15.890 -3.200 -5.190 1.00 0.00 O ATOM 453 CB GLU A 28 -13.504 -4.155 -6.764 1.00 0.00 C ATOM 454 CG GLU A 28 -13.193 -4.595 -8.196 1.00 0.00 C ATOM 455 CD GLU A 28 -12.222 -5.777 -8.154 1.00 0.00 C ATOM 456 OE1 GLU A 28 -12.468 -6.650 -7.337 1.00 0.00 O ATOM 457 OE2 GLU A 28 -11.289 -5.740 -8.938 1.00 0.00 O ATOM 0 H GLU A 28 -12.150 -2.124 -6.753 1.00 0.00 H new ATOM 0 HA GLU A 28 -14.866 -2.679 -7.613 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -12.588 -4.127 -6.174 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -14.169 -4.875 -6.287 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -14.111 -4.880 -8.710 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -12.757 -3.769 -8.757 1.00 0.00 H new ATOM 464 N HIS A 29 -14.424 -1.593 -4.700 1.00 0.00 N ATOM 465 CA HIS A 29 -15.070 -1.278 -3.392 1.00 0.00 C ATOM 466 C HIS A 29 -15.246 0.242 -3.220 1.00 0.00 C ATOM 467 O HIS A 29 -14.570 0.853 -2.416 1.00 0.00 O ATOM 468 CB HIS A 29 -14.119 -1.764 -2.290 1.00 0.00 C ATOM 469 CG HIS A 29 -14.069 -3.295 -2.278 1.00 0.00 C ATOM 470 ND1 HIS A 29 -14.675 -4.020 -1.467 1.00 0.00 N ATOM 471 CD2 HIS A 29 -13.371 -4.161 -3.097 1.00 0.00 C ATOM 472 CE1 HIS A 29 -14.443 -5.247 -1.676 1.00 0.00 C ATOM 473 NE2 HIS A 29 -13.617 -5.440 -2.703 1.00 0.00 N ATOM 0 H HIS A 29 -13.605 -1.027 -4.922 1.00 0.00 H new ATOM 0 HA HIS A 29 -16.048 -1.757 -3.343 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -13.120 -1.361 -2.456 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -14.454 -1.395 -1.321 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -12.733 -3.870 -3.918 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -14.867 -6.047 -1.088 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -13.263 -6.314 -3.091 1.00 0.00 H new ATOM 481 N PRO A 30 -16.158 0.830 -3.981 1.00 0.00 N ATOM 482 CA PRO A 30 -16.397 2.269 -3.891 1.00 0.00 C ATOM 483 C PRO A 30 -17.035 2.644 -2.538 1.00 0.00 C ATOM 484 O PRO A 30 -18.206 2.958 -2.459 1.00 0.00 O ATOM 485 CB PRO A 30 -17.363 2.588 -5.081 1.00 0.00 C ATOM 486 CG PRO A 30 -17.795 1.215 -5.704 1.00 0.00 C ATOM 487 CD PRO A 30 -16.987 0.109 -4.971 1.00 0.00 C ATOM 0 HA PRO A 30 -15.472 2.843 -3.950 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -18.233 3.144 -4.732 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -16.865 3.209 -5.825 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -18.866 1.056 -5.581 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -17.591 1.196 -6.775 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -17.650 -0.606 -4.484 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -16.367 -0.454 -5.669 1.00 0.00 H new ATOM 495 N GLY A 31 -16.247 2.594 -1.492 1.00 0.00 N ATOM 496 CA GLY A 31 -16.802 2.946 -0.153 1.00 0.00 C ATOM 497 C GLY A 31 -15.924 2.408 0.985 1.00 0.00 C ATOM 498 O GLY A 31 -16.412 2.158 2.070 1.00 0.00 O ATOM 0 H GLY A 31 -15.262 2.330 -1.507 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -16.885 4.029 -0.067 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -17.809 2.540 -0.058 1.00 0.00 H new ATOM 502 N LEU A 32 -14.651 2.237 0.732 1.00 0.00 N ATOM 503 CA LEU A 32 -13.780 1.718 1.820 1.00 0.00 C ATOM 504 C LEU A 32 -13.596 2.764 2.897 1.00 0.00 C ATOM 505 O LEU A 32 -13.649 3.951 2.642 1.00 0.00 O ATOM 506 CB LEU A 32 -12.346 1.402 1.270 1.00 0.00 C ATOM 507 CG LEU A 32 -12.279 0.110 0.416 1.00 0.00 C ATOM 508 CD1 LEU A 32 -10.795 -0.292 0.291 1.00 0.00 C ATOM 509 CD2 LEU A 32 -13.023 -1.037 1.100 1.00 0.00 C ATOM 0 H LEU A 32 -14.190 2.429 -0.157 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.261 0.823 2.215 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.003 2.244 0.668 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.657 1.309 2.109 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.737 0.298 -0.555 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.713 -1.200 -0.306 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.240 0.512 -0.193 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.382 -0.472 1.284 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.961 -1.932 0.480 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.570 -1.236 2.071 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -14.069 -0.762 1.237 1.00 0.00 H new ATOM 521 N SER A 33 -13.384 2.296 4.094 1.00 0.00 N ATOM 522 CA SER A 33 -13.185 3.215 5.220 1.00 0.00 C ATOM 523 C SER A 33 -11.703 3.471 5.349 1.00 0.00 C ATOM 524 O SER A 33 -10.908 2.588 5.086 1.00 0.00 O ATOM 525 CB SER A 33 -13.690 2.545 6.509 1.00 0.00 C ATOM 526 OG SER A 33 -14.964 2.029 6.159 1.00 0.00 O ATOM 0 H SER A 33 -13.342 1.305 4.331 1.00 0.00 H new ATOM 0 HA SER A 33 -13.726 4.147 5.057 1.00 0.00 H new ATOM 0 HB2 SER A 33 -13.016 1.753 6.836 1.00 0.00 H new ATOM 0 HB3 SER A 33 -13.762 3.261 7.328 1.00 0.00 H new ATOM 0 HG SER A 33 -15.359 1.579 6.935 1.00 0.00 H new ATOM 532 N ILE A 34 -11.334 4.654 5.740 1.00 0.00 N ATOM 533 CA ILE A 34 -9.883 4.941 5.879 1.00 0.00 C ATOM 534 C ILE A 34 -9.195 3.804 6.608 1.00 0.00 C ATOM 535 O ILE A 34 -8.034 3.527 6.386 1.00 0.00 O ATOM 536 CB ILE A 34 -9.715 6.239 6.676 1.00 0.00 C ATOM 537 CG1 ILE A 34 -10.532 7.351 6.022 1.00 0.00 C ATOM 538 CG2 ILE A 34 -8.220 6.656 6.665 1.00 0.00 C ATOM 539 CD1 ILE A 34 -10.376 8.640 6.833 1.00 0.00 C ATOM 0 H ILE A 34 -11.962 5.425 5.967 1.00 0.00 H new ATOM 0 HA ILE A 34 -9.433 5.046 4.892 1.00 0.00 H new ATOM 0 HB ILE A 34 -10.056 6.079 7.699 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -10.196 7.510 4.997 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -11.582 7.064 5.972 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -8.096 7.579 7.231 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.619 5.868 7.119 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.894 6.814 5.637 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -10.958 9.435 6.368 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -10.733 8.476 7.850 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.325 8.928 6.860 1.00 0.00 H new ATOM 551 N GLY A 35 -9.924 3.168 7.466 1.00 0.00 N ATOM 552 CA GLY A 35 -9.333 2.046 8.217 1.00 0.00 C ATOM 553 C GLY A 35 -9.170 0.846 7.282 1.00 0.00 C ATOM 554 O GLY A 35 -8.141 0.215 7.262 1.00 0.00 O ATOM 0 H GLY A 35 -10.900 3.376 7.679 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -8.366 2.337 8.627 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -9.971 1.781 9.060 1.00 0.00 H new ATOM 558 N ASP A 36 -10.193 0.579 6.500 1.00 0.00 N ATOM 559 CA ASP A 36 -10.124 -0.567 5.563 1.00 0.00 C ATOM 560 C ASP A 36 -9.062 -0.351 4.508 1.00 0.00 C ATOM 561 O ASP A 36 -8.283 -1.235 4.208 1.00 0.00 O ATOM 562 CB ASP A 36 -11.497 -0.696 4.859 1.00 0.00 C ATOM 563 CG ASP A 36 -11.734 -2.156 4.448 1.00 0.00 C ATOM 564 OD1 ASP A 36 -12.277 -2.870 5.277 1.00 0.00 O ATOM 565 OD2 ASP A 36 -11.358 -2.472 3.333 1.00 0.00 O ATOM 0 H ASP A 36 -11.064 1.109 6.478 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.874 -1.467 6.125 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -12.291 -0.363 5.527 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -11.528 -0.051 3.981 1.00 0.00 H new ATOM 570 N VAL A 37 -9.053 0.820 3.968 1.00 0.00 N ATOM 571 CA VAL A 37 -8.060 1.126 2.932 1.00 0.00 C ATOM 572 C VAL A 37 -6.673 0.833 3.431 1.00 0.00 C ATOM 573 O VAL A 37 -5.960 0.030 2.877 1.00 0.00 O ATOM 574 CB VAL A 37 -8.144 2.637 2.618 1.00 0.00 C ATOM 575 CG1 VAL A 37 -7.045 3.002 1.623 1.00 0.00 C ATOM 576 CG2 VAL A 37 -9.515 2.968 2.029 1.00 0.00 C ATOM 0 H VAL A 37 -9.693 1.579 4.201 1.00 0.00 H new ATOM 0 HA VAL A 37 -8.263 0.519 2.050 1.00 0.00 H new ATOM 0 HB VAL A 37 -8.009 3.211 3.535 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -7.098 4.067 1.397 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.071 2.771 2.055 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -7.180 2.429 0.706 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.569 4.034 1.810 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.663 2.400 1.110 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -10.292 2.706 2.747 1.00 0.00 H new ATOM 586 N ALA A 38 -6.331 1.479 4.478 1.00 0.00 N ATOM 587 CA ALA A 38 -5.004 1.279 5.051 1.00 0.00 C ATOM 588 C ALA A 38 -4.796 -0.152 5.569 1.00 0.00 C ATOM 589 O ALA A 38 -3.685 -0.640 5.574 1.00 0.00 O ATOM 590 CB ALA A 38 -4.852 2.281 6.179 1.00 0.00 C ATOM 0 H ALA A 38 -6.922 2.148 4.971 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.249 1.429 4.279 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.870 2.166 6.638 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.952 3.292 5.784 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.625 2.106 6.928 1.00 0.00 H new ATOM 596 N LYS A 39 -5.853 -0.805 6.008 1.00 0.00 N ATOM 597 CA LYS A 39 -5.670 -2.191 6.509 1.00 0.00 C ATOM 598 C LYS A 39 -5.359 -3.113 5.341 1.00 0.00 C ATOM 599 O LYS A 39 -4.368 -3.812 5.342 1.00 0.00 O ATOM 600 CB LYS A 39 -6.984 -2.662 7.224 1.00 0.00 C ATOM 601 CG LYS A 39 -6.800 -2.592 8.755 1.00 0.00 C ATOM 602 CD LYS A 39 -6.658 -1.114 9.204 1.00 0.00 C ATOM 603 CE LYS A 39 -5.857 -1.050 10.515 1.00 0.00 C ATOM 604 NZ LYS A 39 -5.638 0.366 10.921 1.00 0.00 N ATOM 0 H LYS A 39 -6.806 -0.442 6.037 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.843 -2.220 7.219 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.820 -2.032 6.920 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.227 -3.681 6.924 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.653 -3.052 9.254 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.916 -3.157 9.050 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.155 -0.534 8.430 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -7.643 -0.670 9.345 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.392 -1.582 11.302 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.897 -1.551 10.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -5.096 0.393 11.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.109 0.863 10.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.557 0.833 11.063 1.00 0.00 H new ATOM 618 N LYS A 40 -6.217 -3.094 4.370 1.00 0.00 N ATOM 619 CA LYS A 40 -6.000 -3.953 3.191 1.00 0.00 C ATOM 620 C LYS A 40 -4.613 -3.695 2.634 1.00 0.00 C ATOM 621 O LYS A 40 -3.885 -4.606 2.304 1.00 0.00 O ATOM 622 CB LYS A 40 -7.054 -3.589 2.121 1.00 0.00 C ATOM 623 CG LYS A 40 -8.416 -4.221 2.495 1.00 0.00 C ATOM 624 CD LYS A 40 -8.483 -5.663 1.967 1.00 0.00 C ATOM 625 CE LYS A 40 -9.858 -6.251 2.294 1.00 0.00 C ATOM 626 NZ LYS A 40 -10.018 -6.410 3.767 1.00 0.00 N ATOM 0 H LYS A 40 -7.059 -2.519 4.344 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.091 -5.003 3.468 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.153 -2.506 2.047 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.732 -3.947 1.143 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.546 -4.214 3.577 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -9.229 -3.631 2.073 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.314 -5.678 0.890 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -7.698 -6.267 2.421 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.641 -5.600 1.905 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -9.974 -7.217 1.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.828 -7.032 3.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.155 -6.830 4.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.183 -5.479 4.201 1.00 0.00 H new ATOM 640 N LEU A 41 -4.278 -2.446 2.537 1.00 0.00 N ATOM 641 CA LEU A 41 -2.956 -2.093 2.013 1.00 0.00 C ATOM 642 C LEU A 41 -1.909 -2.504 2.990 1.00 0.00 C ATOM 643 O LEU A 41 -0.859 -2.988 2.624 1.00 0.00 O ATOM 644 CB LEU A 41 -2.893 -0.575 1.849 1.00 0.00 C ATOM 645 CG LEU A 41 -3.852 -0.147 0.752 1.00 0.00 C ATOM 646 CD1 LEU A 41 -3.936 1.374 0.771 1.00 0.00 C ATOM 647 CD2 LEU A 41 -3.334 -0.630 -0.620 1.00 0.00 C ATOM 0 H LEU A 41 -4.870 -1.658 2.801 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.789 -2.594 1.060 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.154 -0.085 2.787 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.877 -0.267 1.600 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.837 -0.583 0.918 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.620 1.710 -0.009 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.302 1.706 1.743 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.947 1.795 0.593 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.028 -0.319 -1.401 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.353 -0.196 -0.812 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.255 -1.717 -0.617 1.00 0.00 H new ATOM 659 N GLY A 42 -2.211 -2.299 4.224 1.00 0.00 N ATOM 660 CA GLY A 42 -1.254 -2.665 5.261 1.00 0.00 C ATOM 661 C GLY A 42 -1.083 -4.185 5.266 1.00 0.00 C ATOM 662 O GLY A 42 -0.061 -4.705 5.668 1.00 0.00 O ATOM 0 H GLY A 42 -3.085 -1.891 4.556 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.296 -2.179 5.078 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.604 -2.322 6.235 1.00 0.00 H new ATOM 666 N GLU A 43 -2.108 -4.864 4.805 1.00 0.00 N ATOM 667 CA GLU A 43 -2.061 -6.334 4.758 1.00 0.00 C ATOM 668 C GLU A 43 -1.238 -6.781 3.557 1.00 0.00 C ATOM 669 O GLU A 43 -0.257 -7.482 3.698 1.00 0.00 O ATOM 670 CB GLU A 43 -3.516 -6.849 4.605 1.00 0.00 C ATOM 671 CG GLU A 43 -4.149 -7.023 5.993 1.00 0.00 C ATOM 672 CD GLU A 43 -3.625 -8.313 6.637 1.00 0.00 C ATOM 673 OE1 GLU A 43 -2.743 -8.902 6.033 1.00 0.00 O ATOM 674 OE2 GLU A 43 -4.136 -8.634 7.698 1.00 0.00 O ATOM 0 H GLU A 43 -2.973 -4.447 4.461 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.605 -6.730 5.665 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.101 -6.145 4.013 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.522 -7.798 4.070 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.910 -6.166 6.623 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.235 -7.062 5.907 1.00 0.00 H new ATOM 681 N MET A 44 -1.658 -6.363 2.394 1.00 0.00 N ATOM 682 CA MET A 44 -0.915 -6.750 1.180 1.00 0.00 C ATOM 683 C MET A 44 0.522 -6.294 1.302 1.00 0.00 C ATOM 684 O MET A 44 1.438 -6.990 0.920 1.00 0.00 O ATOM 685 CB MET A 44 -1.581 -6.076 -0.036 1.00 0.00 C ATOM 686 CG MET A 44 -2.848 -6.853 -0.393 1.00 0.00 C ATOM 687 SD MET A 44 -3.850 -6.230 -1.761 1.00 0.00 S ATOM 688 CE MET A 44 -4.300 -4.658 -0.996 1.00 0.00 C ATOM 0 H MET A 44 -2.477 -5.775 2.241 1.00 0.00 H new ATOM 0 HA MET A 44 -0.930 -7.833 1.056 1.00 0.00 H new ATOM 0 HB2 MET A 44 -1.826 -5.039 0.194 1.00 0.00 H new ATOM 0 HB3 MET A 44 -0.895 -6.062 -0.883 1.00 0.00 H new ATOM 0 HG2 MET A 44 -2.560 -7.878 -0.627 1.00 0.00 H new ATOM 0 HG3 MET A 44 -3.479 -6.894 0.495 1.00 0.00 H new ATOM 0 HE1 MET A 44 -5.058 -4.162 -1.602 1.00 0.00 H new ATOM 0 HE2 MET A 44 -4.696 -4.840 0.003 1.00 0.00 H new ATOM 0 HE3 MET A 44 -3.418 -4.022 -0.926 1.00 0.00 H new ATOM 698 N TRP A 45 0.691 -5.128 1.820 1.00 0.00 N ATOM 699 CA TRP A 45 2.056 -4.605 1.983 1.00 0.00 C ATOM 700 C TRP A 45 2.817 -5.523 2.892 1.00 0.00 C ATOM 701 O TRP A 45 3.805 -6.111 2.516 1.00 0.00 O ATOM 702 CB TRP A 45 1.949 -3.227 2.646 1.00 0.00 C ATOM 703 CG TRP A 45 3.319 -2.732 3.129 1.00 0.00 C ATOM 704 CD1 TRP A 45 3.632 -2.576 4.405 1.00 0.00 C ATOM 705 CD2 TRP A 45 4.270 -2.274 2.355 1.00 0.00 C ATOM 706 NE1 TRP A 45 4.829 -1.987 4.373 1.00 0.00 N ATOM 707 CE2 TRP A 45 5.308 -1.751 3.105 1.00 0.00 C ATOM 708 CE3 TRP A 45 4.326 -2.211 0.982 1.00 0.00 C ATOM 709 CZ2 TRP A 45 6.379 -1.166 2.482 1.00 0.00 C ATOM 710 CZ3 TRP A 45 5.403 -1.624 0.362 1.00 0.00 C ATOM 711 CH2 TRP A 45 6.422 -1.100 1.112 1.00 0.00 C ATOM 0 H TRP A 45 -0.057 -4.512 2.139 1.00 0.00 H new ATOM 0 HA TRP A 45 2.564 -4.534 1.021 1.00 0.00 H new ATOM 0 HB2 TRP A 45 1.531 -2.512 1.938 1.00 0.00 H new ATOM 0 HB3 TRP A 45 1.261 -3.280 3.490 1.00 0.00 H new ATOM 0 HD1 TRP A 45 3.053 -2.860 5.271 1.00 0.00 H new ATOM 0 HE1 TRP A 45 5.344 -1.734 5.216 1.00 0.00 H new ATOM 0 HE3 TRP A 45 3.522 -2.624 0.390 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 7.188 -0.757 3.069 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 5.446 -1.576 -0.716 1.00 0.00 H new ATOM 0 HH2 TRP A 45 7.264 -0.632 0.623 1.00 0.00 H new ATOM 722 N ASN A 46 2.337 -5.628 4.084 1.00 0.00 N ATOM 723 CA ASN A 46 3.003 -6.504 5.062 1.00 0.00 C ATOM 724 C ASN A 46 3.276 -7.868 4.439 1.00 0.00 C ATOM 725 O ASN A 46 4.318 -8.456 4.652 1.00 0.00 O ATOM 726 CB ASN A 46 2.058 -6.686 6.262 1.00 0.00 C ATOM 727 CG ASN A 46 2.155 -5.465 7.175 1.00 0.00 C ATOM 728 OD1 ASN A 46 3.006 -4.613 7.008 1.00 0.00 O ATOM 729 ND2 ASN A 46 1.303 -5.342 8.153 1.00 0.00 N ATOM 0 H ASN A 46 1.508 -5.142 4.426 1.00 0.00 H new ATOM 0 HA ASN A 46 3.948 -6.059 5.374 1.00 0.00 H new ATOM 0 HB2 ASN A 46 1.033 -6.814 5.915 1.00 0.00 H new ATOM 0 HB3 ASN A 46 2.323 -7.588 6.814 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.352 -4.534 8.774 1.00 0.00 H new ATOM 0 HD22 ASN A 46 0.587 -6.054 8.298 1.00 0.00 H new ATOM 736 N ASN A 47 2.330 -8.344 3.676 1.00 0.00 N ATOM 737 CA ASN A 47 2.516 -9.659 3.032 1.00 0.00 C ATOM 738 C ASN A 47 3.723 -9.624 2.097 1.00 0.00 C ATOM 739 O ASN A 47 4.471 -10.578 2.006 1.00 0.00 O ATOM 740 CB ASN A 47 1.253 -9.995 2.216 1.00 0.00 C ATOM 741 CG ASN A 47 0.069 -10.207 3.168 1.00 0.00 C ATOM 742 OD1 ASN A 47 -1.124 -9.828 2.792 1.00 0.00 O flip ATOM 743 ND2 ASN A 47 0.218 -10.722 4.258 1.00 0.00 N flip ATOM 0 H ASN A 47 1.445 -7.877 3.476 1.00 0.00 H new ATOM 0 HA ASN A 47 2.685 -10.415 3.799 1.00 0.00 H new ATOM 0 HB2 ASN A 47 1.032 -9.187 1.519 1.00 0.00 H new ATOM 0 HB3 ASN A 47 1.420 -10.893 1.621 1.00 0.00 H new ATOM 0 HD21 ASN A 47 1.146 -11.020 4.559 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -0.585 -10.856 4.873 1.00 0.00 H new ATOM 750 N THR A 48 3.889 -8.517 1.421 1.00 0.00 N ATOM 751 CA THR A 48 5.034 -8.390 0.488 1.00 0.00 C ATOM 752 C THR A 48 6.330 -8.808 1.180 1.00 0.00 C ATOM 753 O THR A 48 6.670 -8.293 2.225 1.00 0.00 O ATOM 754 CB THR A 48 5.143 -6.908 0.072 1.00 0.00 C ATOM 755 OG1 THR A 48 3.842 -6.540 -0.347 1.00 0.00 O ATOM 756 CG2 THR A 48 6.029 -6.714 -1.186 1.00 0.00 C ATOM 0 H THR A 48 3.280 -7.701 1.478 1.00 0.00 H new ATOM 0 HA THR A 48 4.877 -9.031 -0.379 1.00 0.00 H new ATOM 0 HB THR A 48 5.558 -6.337 0.903 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.842 -5.600 -0.625 1.00 0.00 H new ATOM 0 HG21 THR A 48 6.075 -5.655 -1.439 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.035 -7.082 -0.983 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.601 -7.268 -2.021 1.00 0.00 H new ATOM 764 N ALA A 49 7.033 -9.732 0.585 1.00 0.00 N ATOM 765 CA ALA A 49 8.305 -10.189 1.202 1.00 0.00 C ATOM 766 C ALA A 49 9.161 -8.995 1.646 1.00 0.00 C ATOM 767 O ALA A 49 9.278 -8.014 0.942 1.00 0.00 O ATOM 768 CB ALA A 49 9.082 -11.040 0.149 1.00 0.00 C ATOM 0 H ALA A 49 6.783 -10.186 -0.294 1.00 0.00 H new ATOM 0 HA ALA A 49 8.085 -10.786 2.087 1.00 0.00 H new ATOM 0 HB1 ALA A 49 10.021 -11.386 0.582 1.00 0.00 H new ATOM 0 HB2 ALA A 49 8.478 -11.899 -0.142 1.00 0.00 H new ATOM 0 HB3 ALA A 49 9.291 -10.430 -0.730 1.00 0.00 H new ATOM 774 N ALA A 50 9.740 -9.103 2.810 1.00 0.00 N ATOM 775 CA ALA A 50 10.584 -7.991 3.305 1.00 0.00 C ATOM 776 C ALA A 50 11.564 -7.543 2.228 1.00 0.00 C ATOM 777 O ALA A 50 11.666 -6.372 1.925 1.00 0.00 O ATOM 778 CB ALA A 50 11.377 -8.489 4.524 1.00 0.00 C ATOM 0 H ALA A 50 9.664 -9.908 3.432 1.00 0.00 H new ATOM 0 HA ALA A 50 9.947 -7.148 3.573 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.005 -7.683 4.903 1.00 0.00 H new ATOM 0 HB2 ALA A 50 10.685 -8.807 5.303 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.004 -9.331 4.231 1.00 0.00 H new ATOM 784 N ASP A 51 12.264 -8.488 1.668 1.00 0.00 N ATOM 785 CA ASP A 51 13.239 -8.147 0.615 1.00 0.00 C ATOM 786 C ASP A 51 12.538 -7.564 -0.612 1.00 0.00 C ATOM 787 O ASP A 51 13.159 -6.937 -1.446 1.00 0.00 O ATOM 788 CB ASP A 51 13.967 -9.433 0.202 1.00 0.00 C ATOM 789 CG ASP A 51 14.765 -9.970 1.395 1.00 0.00 C ATOM 790 OD1 ASP A 51 15.587 -9.211 1.882 1.00 0.00 O ATOM 791 OD2 ASP A 51 14.507 -11.109 1.752 1.00 0.00 O ATOM 0 H ASP A 51 12.198 -9.479 1.898 1.00 0.00 H new ATOM 0 HA ASP A 51 13.936 -7.404 1.002 1.00 0.00 H new ATOM 0 HB2 ASP A 51 13.248 -10.180 -0.134 1.00 0.00 H new ATOM 0 HB3 ASP A 51 14.635 -9.233 -0.636 1.00 0.00 H new ATOM 796 N ASP A 52 11.253 -7.791 -0.705 1.00 0.00 N ATOM 797 CA ASP A 52 10.492 -7.255 -1.873 1.00 0.00 C ATOM 798 C ASP A 52 10.065 -5.811 -1.633 1.00 0.00 C ATOM 799 O ASP A 52 9.623 -5.134 -2.540 1.00 0.00 O ATOM 800 CB ASP A 52 9.238 -8.106 -2.063 1.00 0.00 C ATOM 801 CG ASP A 52 8.600 -7.777 -3.417 1.00 0.00 C ATOM 802 OD1 ASP A 52 9.127 -6.884 -4.064 1.00 0.00 O ATOM 803 OD2 ASP A 52 7.624 -8.436 -3.727 1.00 0.00 O ATOM 0 H ASP A 52 10.702 -8.320 -0.029 1.00 0.00 H new ATOM 0 HA ASP A 52 11.132 -7.288 -2.755 1.00 0.00 H new ATOM 0 HB2 ASP A 52 9.493 -9.165 -2.016 1.00 0.00 H new ATOM 0 HB3 ASP A 52 8.529 -7.913 -1.258 1.00 0.00 H new ATOM 808 N LYS A 53 10.178 -5.375 -0.408 1.00 0.00 N ATOM 809 CA LYS A 53 9.788 -3.980 -0.082 1.00 0.00 C ATOM 810 C LYS A 53 10.933 -3.038 -0.413 1.00 0.00 C ATOM 811 O LYS A 53 10.767 -1.839 -0.473 1.00 0.00 O ATOM 812 CB LYS A 53 9.519 -3.898 1.425 1.00 0.00 C ATOM 813 CG LYS A 53 8.230 -4.649 1.759 1.00 0.00 C ATOM 814 CD LYS A 53 7.829 -4.320 3.203 1.00 0.00 C ATOM 815 CE LYS A 53 6.507 -5.011 3.540 1.00 0.00 C ATOM 816 NZ LYS A 53 6.723 -6.463 3.795 1.00 0.00 N ATOM 0 H LYS A 53 10.523 -5.926 0.378 1.00 0.00 H new ATOM 0 HA LYS A 53 8.904 -3.700 -0.655 1.00 0.00 H new ATOM 0 HB2 LYS A 53 10.355 -4.327 1.977 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.435 -2.856 1.733 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.435 -4.360 1.071 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.377 -5.723 1.643 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.608 -4.648 3.891 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.729 -3.242 3.326 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.061 -4.545 4.418 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.803 -4.882 2.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.965 -6.824 4.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.714 -6.979 2.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.642 -6.600 4.263 1.00 0.00 H new ATOM 830 N GLN A 54 12.076 -3.613 -0.618 1.00 0.00 N ATOM 831 CA GLN A 54 13.263 -2.812 -0.945 1.00 0.00 C ATOM 832 C GLN A 54 12.978 -1.721 -2.021 1.00 0.00 C ATOM 833 O GLN A 54 13.138 -0.567 -1.761 1.00 0.00 O ATOM 834 CB GLN A 54 14.367 -3.793 -1.442 1.00 0.00 C ATOM 835 CG GLN A 54 15.417 -4.016 -0.334 1.00 0.00 C ATOM 836 CD GLN A 54 16.276 -5.235 -0.681 1.00 0.00 C ATOM 837 OE1 GLN A 54 16.254 -5.728 -1.792 1.00 0.00 O ATOM 838 NE2 GLN A 54 17.047 -5.752 0.239 1.00 0.00 N ATOM 0 H GLN A 54 12.235 -4.619 -0.571 1.00 0.00 H new ATOM 0 HA GLN A 54 13.583 -2.274 -0.053 1.00 0.00 H new ATOM 0 HB2 GLN A 54 13.918 -4.745 -1.725 1.00 0.00 H new ATOM 0 HB3 GLN A 54 14.848 -3.390 -2.333 1.00 0.00 H new ATOM 0 HG2 GLN A 54 16.046 -3.132 -0.232 1.00 0.00 H new ATOM 0 HG3 GLN A 54 14.922 -4.168 0.625 1.00 0.00 H new ATOM 0 HE21 GLN A 54 17.071 -5.344 1.173 1.00 0.00 H new ATOM 0 HE22 GLN A 54 17.625 -6.564 0.023 1.00 0.00 H new ATOM 847 N PRO A 55 12.533 -2.105 -3.202 1.00 0.00 N ATOM 848 CA PRO A 55 12.257 -1.114 -4.237 1.00 0.00 C ATOM 849 C PRO A 55 11.497 0.089 -3.701 1.00 0.00 C ATOM 850 O PRO A 55 11.803 1.207 -4.030 1.00 0.00 O ATOM 851 CB PRO A 55 11.395 -1.872 -5.288 1.00 0.00 C ATOM 852 CG PRO A 55 11.426 -3.388 -4.901 1.00 0.00 C ATOM 853 CD PRO A 55 12.210 -3.498 -3.567 1.00 0.00 C ATOM 0 HA PRO A 55 13.182 -0.713 -4.651 1.00 0.00 H new ATOM 0 HB2 PRO A 55 10.372 -1.496 -5.291 1.00 0.00 H new ATOM 0 HB3 PRO A 55 11.792 -1.722 -6.292 1.00 0.00 H new ATOM 0 HG2 PRO A 55 10.415 -3.778 -4.787 1.00 0.00 H new ATOM 0 HG3 PRO A 55 11.909 -3.976 -5.682 1.00 0.00 H new ATOM 0 HD2 PRO A 55 11.611 -3.980 -2.795 1.00 0.00 H new ATOM 0 HD3 PRO A 55 13.114 -4.095 -3.688 1.00 0.00 H new ATOM 861 N TYR A 56 10.533 -0.174 -2.888 1.00 0.00 N ATOM 862 CA TYR A 56 9.726 0.936 -2.313 1.00 0.00 C ATOM 863 C TYR A 56 10.533 1.799 -1.345 1.00 0.00 C ATOM 864 O TYR A 56 10.658 2.994 -1.540 1.00 0.00 O ATOM 865 CB TYR A 56 8.552 0.316 -1.557 1.00 0.00 C ATOM 866 CG TYR A 56 7.523 -0.188 -2.560 1.00 0.00 C ATOM 867 CD1 TYR A 56 6.684 0.698 -3.179 1.00 0.00 C ATOM 868 CD2 TYR A 56 7.409 -1.527 -2.836 1.00 0.00 C ATOM 869 CE1 TYR A 56 5.719 0.258 -4.069 1.00 0.00 C ATOM 870 CE2 TYR A 56 6.456 -1.983 -3.727 1.00 0.00 C ATOM 871 CZ TYR A 56 5.600 -1.091 -4.352 1.00 0.00 C ATOM 872 OH TYR A 56 4.642 -1.541 -5.243 1.00 0.00 O ATOM 0 H TYR A 56 10.260 -1.111 -2.590 1.00 0.00 H new ATOM 0 HA TYR A 56 9.394 1.580 -3.127 1.00 0.00 H new ATOM 0 HB2 TYR A 56 8.900 -0.505 -0.931 1.00 0.00 H new ATOM 0 HB3 TYR A 56 8.100 1.054 -0.894 1.00 0.00 H new ATOM 0 HD1 TYR A 56 6.776 1.754 -2.971 1.00 0.00 H new ATOM 0 HD2 TYR A 56 8.070 -2.231 -2.353 1.00 0.00 H new ATOM 0 HE1 TYR A 56 5.058 0.969 -4.543 1.00 0.00 H new ATOM 0 HE2 TYR A 56 6.378 -3.040 -3.937 1.00 0.00 H new ATOM 0 HH TYR A 56 4.702 -2.516 -5.323 1.00 0.00 H new ATOM 882 N GLU A 57 11.074 1.192 -0.322 1.00 0.00 N ATOM 883 CA GLU A 57 11.863 1.996 0.643 1.00 0.00 C ATOM 884 C GLU A 57 13.042 2.625 -0.066 1.00 0.00 C ATOM 885 O GLU A 57 13.379 3.780 0.141 1.00 0.00 O ATOM 886 CB GLU A 57 12.317 1.061 1.805 1.00 0.00 C ATOM 887 CG GLU A 57 13.578 0.273 1.444 1.00 0.00 C ATOM 888 CD GLU A 57 14.816 1.162 1.596 1.00 0.00 C ATOM 889 OE1 GLU A 57 14.841 1.897 2.571 1.00 0.00 O ATOM 890 OE2 GLU A 57 15.665 1.058 0.729 1.00 0.00 O ATOM 0 H GLU A 57 11.004 0.195 -0.119 1.00 0.00 H new ATOM 0 HA GLU A 57 11.263 2.805 1.060 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.505 1.657 2.698 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.512 0.367 2.048 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.667 -0.601 2.089 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.507 -0.093 0.420 1.00 0.00 H new ATOM 897 N LYS A 58 13.634 1.854 -0.891 1.00 0.00 N ATOM 898 CA LYS A 58 14.790 2.331 -1.652 1.00 0.00 C ATOM 899 C LYS A 58 14.358 3.479 -2.545 1.00 0.00 C ATOM 900 O LYS A 58 15.169 4.265 -2.994 1.00 0.00 O ATOM 901 CB LYS A 58 15.310 1.157 -2.516 1.00 0.00 C ATOM 902 CG LYS A 58 16.769 1.421 -2.940 1.00 0.00 C ATOM 903 CD LYS A 58 17.716 1.329 -1.700 1.00 0.00 C ATOM 904 CE LYS A 58 19.081 0.763 -2.128 1.00 0.00 C ATOM 905 NZ LYS A 58 19.562 1.430 -3.372 1.00 0.00 N ATOM 0 H LYS A 58 13.363 0.889 -1.078 1.00 0.00 H new ATOM 0 HA LYS A 58 15.577 2.680 -0.984 1.00 0.00 H new ATOM 0 HB2 LYS A 58 15.249 0.225 -1.953 1.00 0.00 H new ATOM 0 HB3 LYS A 58 14.682 1.038 -3.399 1.00 0.00 H new ATOM 0 HG2 LYS A 58 17.073 0.695 -3.694 1.00 0.00 H new ATOM 0 HG3 LYS A 58 16.850 2.408 -3.396 1.00 0.00 H new ATOM 0 HD2 LYS A 58 17.844 2.316 -1.255 1.00 0.00 H new ATOM 0 HD3 LYS A 58 17.270 0.691 -0.937 1.00 0.00 H new ATOM 0 HE2 LYS A 58 19.807 0.907 -1.328 1.00 0.00 H new ATOM 0 HE3 LYS A 58 18.999 -0.311 -2.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 20.601 1.388 -3.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 19.166 0.944 -4.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 19.255 2.424 -3.374 1.00 0.00 H new ATOM 919 N LYS A 59 13.069 3.553 -2.790 1.00 0.00 N ATOM 920 CA LYS A 59 12.558 4.627 -3.637 1.00 0.00 C ATOM 921 C LYS A 59 12.671 5.942 -2.889 1.00 0.00 C ATOM 922 O LYS A 59 13.097 6.930 -3.424 1.00 0.00 O ATOM 923 CB LYS A 59 11.059 4.335 -3.946 1.00 0.00 C ATOM 924 CG LYS A 59 10.715 4.817 -5.368 1.00 0.00 C ATOM 925 CD LYS A 59 9.189 4.695 -5.598 1.00 0.00 C ATOM 926 CE LYS A 59 8.903 4.562 -7.099 1.00 0.00 C ATOM 927 NZ LYS A 59 9.843 5.408 -7.881 1.00 0.00 N ATOM 0 H LYS A 59 12.366 2.907 -2.431 1.00 0.00 H new ATOM 0 HA LYS A 59 13.128 4.687 -4.564 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.861 3.267 -3.857 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.423 4.839 -3.218 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.032 5.852 -5.500 1.00 0.00 H new ATOM 0 HG3 LYS A 59 11.254 4.222 -6.106 1.00 0.00 H new ATOM 0 HD2 LYS A 59 8.799 3.828 -5.065 1.00 0.00 H new ATOM 0 HD3 LYS A 59 8.680 5.571 -5.197 1.00 0.00 H new ATOM 0 HE2 LYS A 59 9.001 3.520 -7.404 1.00 0.00 H new ATOM 0 HE3 LYS A 59 7.875 4.860 -7.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 9.425 5.625 -8.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 10.023 6.294 -7.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 10.739 4.898 -8.015 1.00 0.00 H new ATOM 941 N ALA A 60 12.270 5.917 -1.654 1.00 0.00 N ATOM 942 CA ALA A 60 12.339 7.141 -0.843 1.00 0.00 C ATOM 943 C ALA A 60 13.721 7.764 -0.927 1.00 0.00 C ATOM 944 O ALA A 60 13.858 8.966 -1.075 1.00 0.00 O ATOM 945 CB ALA A 60 12.054 6.766 0.623 1.00 0.00 C ATOM 0 H ALA A 60 11.898 5.096 -1.176 1.00 0.00 H new ATOM 0 HA ALA A 60 11.608 7.859 -1.215 1.00 0.00 H new ATOM 0 HB1 ALA A 60 12.100 7.661 1.243 1.00 0.00 H new ATOM 0 HB2 ALA A 60 11.061 6.323 0.699 1.00 0.00 H new ATOM 0 HB3 ALA A 60 12.799 6.048 0.966 1.00 0.00 H new