USER MOD reduce.3.24.130724 H: found=0, std=0, add=887, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 889 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 51 SER OG : rot 177:sc= 1.65 USER MOD Set 1.2: A 126 HIS : no HE2:sc= 1.66 K(o=3.3,f=-3.7!) USER MOD Set 2.1: A 71 GLN : amide:sc= 0.231 K(o=0.62,f=-1.4) USER MOD Set 2.2: A 97 GLN : amide:sc= 0.389 K(o=0.62,f=-2.9) USER MOD Set 3.1: A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 180:sc= -0.0664 USER MOD Single : A 14 LYS NZ :NH3+ 166:sc= 2.5 (180deg=2.07) USER MOD Single : A 18 SER OG : rot -35:sc= 1.22 USER MOD Single : A 20 TYR OH : rot 95:sc= 0.169 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -36:sc= 0.00906 USER MOD Single : A 37 LYS NZ :NH3+ -149:sc= 2.14 (180deg=1.49) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 147:sc= 1.2 USER MOD Single : A 54 LYS NZ :NH3+ -167:sc= 1.15 (180deg=1.01) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 1.24 (180deg=1.24) USER MOD Single : A 63 LYS NZ :NH3+ 161:sc= 0.916 (180deg=0.651) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0.392 K(o=0.39,f=-0.2) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot -80:sc= 0.0332 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 130:sc= 0.0425 USER MOD Single : A 89 SER OG : rot 180:sc= 0.461 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 26:sc= 0.0532 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 ASN : amide:sc= -1.02 K(o=-1,f=-2.1!) USER MOD Single : A 122 SER OG : rot -78:sc= 1.26 USER MOD Single : A 124 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 128 LYS NZ :NH3+ 169:sc= 1.29 (180deg=1.06) USER MOD ----------------------------------------------------------------- ATOM 171 N GLU A 8 -5.309 8.434 14.748 1.00 0.00 N ATOM 172 CA GLU A 8 -5.536 7.310 13.833 1.00 0.00 C ATOM 173 C GLU A 8 -5.416 5.994 14.621 1.00 0.00 C ATOM 174 O GLU A 8 -4.456 5.773 15.365 1.00 0.00 O ATOM 175 CB GLU A 8 -4.571 7.342 12.633 1.00 0.00 C ATOM 176 CG GLU A 8 -3.079 7.323 12.994 1.00 0.00 C ATOM 177 CD GLU A 8 -2.238 7.737 11.787 1.00 0.00 C ATOM 178 OE1 GLU A 8 -2.249 6.996 10.778 1.00 0.00 O ATOM 179 OE2 GLU A 8 -1.553 8.787 11.827 1.00 0.00 O ATOM 0 HA GLU A 8 -6.540 7.390 13.416 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.784 6.486 11.993 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.775 8.238 12.047 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.890 8.000 13.827 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -2.790 6.325 13.323 1.00 0.00 H new ATOM 186 N SER A 9 -6.411 5.124 14.476 1.00 0.00 N ATOM 187 CA SER A 9 -6.521 3.833 15.168 1.00 0.00 C ATOM 188 C SER A 9 -6.037 2.676 14.294 1.00 0.00 C ATOM 189 O SER A 9 -6.339 2.649 13.104 1.00 0.00 O ATOM 190 CB SER A 9 -7.974 3.591 15.589 1.00 0.00 C ATOM 191 OG SER A 9 -8.327 4.461 16.653 1.00 0.00 O ATOM 0 H SER A 9 -7.196 5.301 13.850 1.00 0.00 H new ATOM 0 HA SER A 9 -5.882 3.874 16.050 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.638 3.754 14.740 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.103 2.554 15.899 1.00 0.00 H new ATOM 0 HG SER A 9 -9.258 4.299 16.913 1.00 0.00 H new ATOM 197 N VAL A 10 -5.309 1.699 14.843 1.00 0.00 N ATOM 198 CA VAL A 10 -4.786 0.561 14.054 1.00 0.00 C ATOM 199 C VAL A 10 -5.906 -0.353 13.531 1.00 0.00 C ATOM 200 O VAL A 10 -6.859 -0.666 14.249 1.00 0.00 O ATOM 201 CB VAL A 10 -3.678 -0.201 14.810 1.00 0.00 C ATOM 202 CG1 VAL A 10 -4.177 -0.951 16.052 1.00 0.00 C ATOM 203 CG2 VAL A 10 -2.939 -1.187 13.896 1.00 0.00 C ATOM 0 H VAL A 10 -5.064 1.666 15.833 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.313 0.977 13.165 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.993 0.577 15.147 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.341 -1.462 16.529 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -4.617 -0.242 16.753 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -4.929 -1.683 15.757 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.167 -1.703 14.466 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.646 -1.916 13.500 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.478 -0.643 13.071 1.00 0.00 H new ATOM 213 N LEU A 11 -5.774 -0.786 12.273 1.00 0.00 N ATOM 214 CA LEU A 11 -6.671 -1.723 11.583 1.00 0.00 C ATOM 215 C LEU A 11 -5.948 -3.028 11.215 1.00 0.00 C ATOM 216 O LEU A 11 -6.493 -4.114 11.416 1.00 0.00 O ATOM 217 CB LEU A 11 -7.229 -1.099 10.289 1.00 0.00 C ATOM 218 CG LEU A 11 -8.027 0.210 10.408 1.00 0.00 C ATOM 219 CD1 LEU A 11 -8.593 0.537 9.025 1.00 0.00 C ATOM 220 CD2 LEU A 11 -9.190 0.119 11.396 1.00 0.00 C ATOM 0 H LEU A 11 -5.003 -0.479 11.679 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.485 -1.942 12.273 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.391 -0.920 9.616 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.870 -1.839 9.810 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.351 0.980 10.778 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.166 1.463 9.076 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.774 0.656 8.315 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -9.243 -0.274 8.697 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -9.712 1.075 11.433 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -9.881 -0.659 11.073 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -8.807 -0.124 12.387 1.00 0.00 H new ATOM 232 N CYS A 12 -4.726 -2.921 10.677 1.00 0.00 N ATOM 233 CA CYS A 12 -3.894 -4.058 10.278 1.00 0.00 C ATOM 234 C CYS A 12 -2.403 -3.790 10.523 1.00 0.00 C ATOM 235 O CYS A 12 -1.934 -2.653 10.487 1.00 0.00 O ATOM 236 CB CYS A 12 -4.197 -4.433 8.815 1.00 0.00 C ATOM 237 SG CYS A 12 -3.576 -6.094 8.424 1.00 0.00 S ATOM 0 H CYS A 12 -4.281 -2.020 10.504 1.00 0.00 H new ATOM 0 HA CYS A 12 -4.144 -4.914 10.904 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -5.272 -4.393 8.641 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -3.739 -3.704 8.147 1.00 0.00 H new ATOM 0 HG CYS A 12 -3.850 -6.379 7.186 1.00 0.00 H new ATOM 243 N VAL A 13 -1.657 -4.864 10.761 1.00 0.00 N ATOM 244 CA VAL A 13 -0.204 -4.889 10.929 1.00 0.00 C ATOM 245 C VAL A 13 0.325 -6.197 10.341 1.00 0.00 C ATOM 246 O VAL A 13 -0.178 -7.276 10.664 1.00 0.00 O ATOM 247 CB VAL A 13 0.187 -4.680 12.409 1.00 0.00 C ATOM 248 CG1 VAL A 13 -0.464 -5.658 13.398 1.00 0.00 C ATOM 249 CG2 VAL A 13 1.705 -4.730 12.618 1.00 0.00 C ATOM 0 H VAL A 13 -2.071 -5.792 10.847 1.00 0.00 H new ATOM 0 HA VAL A 13 0.259 -4.062 10.390 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.200 -3.685 12.629 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.128 -5.430 14.409 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.548 -5.560 13.346 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.179 -6.678 13.142 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.932 -4.578 13.673 1.00 0.00 H new ATOM 0 HG22 VAL A 13 2.084 -5.702 12.301 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.180 -3.946 12.028 1.00 0.00 H new ATOM 259 N LYS A 14 1.314 -6.105 9.447 1.00 0.00 N ATOM 260 CA LYS A 14 1.964 -7.267 8.805 1.00 0.00 C ATOM 261 C LYS A 14 3.486 -7.240 9.016 1.00 0.00 C ATOM 262 O LYS A 14 4.088 -6.173 8.857 1.00 0.00 O ATOM 263 CB LYS A 14 1.612 -7.350 7.307 1.00 0.00 C ATOM 264 CG LYS A 14 0.124 -7.595 6.994 1.00 0.00 C ATOM 265 CD LYS A 14 -0.285 -9.068 7.125 1.00 0.00 C ATOM 266 CE LYS A 14 -0.850 -9.473 8.488 1.00 0.00 C ATOM 267 NZ LYS A 14 -1.126 -10.931 8.514 1.00 0.00 N ATOM 0 H LYS A 14 1.696 -5.211 9.140 1.00 0.00 H new ATOM 0 HA LYS A 14 1.578 -8.166 9.285 1.00 0.00 H new ATOM 0 HB2 LYS A 14 1.919 -6.421 6.826 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.198 -8.151 6.857 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.486 -6.994 7.668 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.089 -7.254 5.981 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.030 -9.290 6.361 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.585 -9.689 6.912 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.141 -9.215 9.275 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.766 -8.918 8.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.280 -11.238 9.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.976 -11.133 7.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.315 -11.445 8.114 1.00 0.00 H new ATOM 281 N PRO A 15 4.120 -8.386 9.339 1.00 0.00 N ATOM 282 CA PRO A 15 5.548 -8.471 9.664 1.00 0.00 C ATOM 283 C PRO A 15 6.470 -8.403 8.435 1.00 0.00 C ATOM 284 O PRO A 15 7.690 -8.378 8.585 1.00 0.00 O ATOM 285 CB PRO A 15 5.701 -9.804 10.406 1.00 0.00 C ATOM 286 CG PRO A 15 4.653 -10.686 9.731 1.00 0.00 C ATOM 287 CD PRO A 15 3.507 -9.705 9.490 1.00 0.00 C ATOM 0 HA PRO A 15 5.854 -7.614 10.264 1.00 0.00 H new ATOM 0 HB2 PRO A 15 6.705 -10.214 10.299 1.00 0.00 H new ATOM 0 HB3 PRO A 15 5.513 -9.697 11.474 1.00 0.00 H new ATOM 0 HG2 PRO A 15 5.022 -11.116 8.800 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.350 -11.517 10.368 1.00 0.00 H new ATOM 0 HD2 PRO A 15 2.944 -9.977 8.597 1.00 0.00 H new ATOM 0 HD3 PRO A 15 2.805 -9.714 10.324 1.00 0.00 H new ATOM 295 N ASP A 16 5.917 -8.379 7.222 1.00 0.00 N ATOM 296 CA ASP A 16 6.648 -8.222 5.964 1.00 0.00 C ATOM 297 C ASP A 16 5.943 -7.237 5.023 1.00 0.00 C ATOM 298 O ASP A 16 4.711 -7.194 4.957 1.00 0.00 O ATOM 299 CB ASP A 16 6.832 -9.584 5.277 1.00 0.00 C ATOM 300 CG ASP A 16 5.538 -10.094 4.618 1.00 0.00 C ATOM 301 OD1 ASP A 16 5.407 -9.943 3.380 1.00 0.00 O ATOM 302 OD2 ASP A 16 4.683 -10.670 5.332 1.00 0.00 O ATOM 0 H ASP A 16 4.911 -8.472 7.083 1.00 0.00 H new ATOM 0 HA ASP A 16 7.630 -7.811 6.199 1.00 0.00 H new ATOM 0 HB2 ASP A 16 7.613 -9.503 4.521 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.174 -10.314 6.011 1.00 0.00 H new ATOM 307 N VAL A 17 6.740 -6.466 4.281 1.00 0.00 N ATOM 308 CA VAL A 17 6.332 -5.711 3.089 1.00 0.00 C ATOM 309 C VAL A 17 7.589 -5.291 2.313 1.00 0.00 C ATOM 310 O VAL A 17 8.586 -4.889 2.919 1.00 0.00 O ATOM 311 CB VAL A 17 5.443 -4.500 3.466 1.00 0.00 C ATOM 312 CG1 VAL A 17 6.039 -3.606 4.556 1.00 0.00 C ATOM 313 CG2 VAL A 17 5.083 -3.649 2.249 1.00 0.00 C ATOM 0 H VAL A 17 7.728 -6.344 4.501 1.00 0.00 H new ATOM 0 HA VAL A 17 5.721 -6.344 2.446 1.00 0.00 H new ATOM 0 HB VAL A 17 4.537 -4.947 3.874 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.357 -2.781 4.763 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.189 -4.190 5.464 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.996 -3.209 4.218 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.459 -2.812 2.562 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.995 -3.269 1.788 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.538 -4.258 1.528 1.00 0.00 H new ATOM 323 N SER A 18 7.557 -5.388 0.982 1.00 0.00 N ATOM 324 CA SER A 18 8.612 -4.904 0.073 1.00 0.00 C ATOM 325 C SER A 18 8.081 -3.901 -0.963 1.00 0.00 C ATOM 326 O SER A 18 6.929 -3.997 -1.380 1.00 0.00 O ATOM 327 CB SER A 18 9.318 -6.095 -0.590 1.00 0.00 C ATOM 328 OG SER A 18 8.514 -6.740 -1.557 1.00 0.00 O ATOM 0 H SER A 18 6.775 -5.817 0.487 1.00 0.00 H new ATOM 0 HA SER A 18 9.342 -4.356 0.668 1.00 0.00 H new ATOM 0 HB2 SER A 18 10.238 -5.749 -1.061 1.00 0.00 H new ATOM 0 HB3 SER A 18 9.604 -6.815 0.177 1.00 0.00 H new ATOM 0 HG SER A 18 7.578 -6.724 -1.268 1.00 0.00 H new ATOM 334 N VAL A 19 8.888 -2.915 -1.373 1.00 0.00 N ATOM 335 CA VAL A 19 8.458 -1.783 -2.224 1.00 0.00 C ATOM 336 C VAL A 19 9.339 -1.616 -3.468 1.00 0.00 C ATOM 337 O VAL A 19 10.568 -1.658 -3.384 1.00 0.00 O ATOM 338 CB VAL A 19 8.350 -0.489 -1.393 1.00 0.00 C ATOM 339 CG1 VAL A 19 8.205 0.761 -2.267 1.00 0.00 C ATOM 340 CG2 VAL A 19 7.127 -0.579 -0.470 1.00 0.00 C ATOM 0 H VAL A 19 9.876 -2.875 -1.122 1.00 0.00 H new ATOM 0 HA VAL A 19 7.462 -2.013 -2.603 1.00 0.00 H new ATOM 0 HB VAL A 19 9.274 -0.397 -0.822 1.00 0.00 H new ATOM 0 HG11 VAL A 19 8.133 1.643 -1.631 1.00 0.00 H new ATOM 0 HG12 VAL A 19 9.075 0.853 -2.918 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.304 0.677 -2.875 1.00 0.00 H new ATOM 0 HG21 VAL A 19 7.048 0.335 0.119 1.00 0.00 H new ATOM 0 HG22 VAL A 19 6.226 -0.703 -1.071 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.237 -1.433 0.198 1.00 0.00 H new ATOM 350 N TYR A 20 8.692 -1.399 -4.619 1.00 0.00 N ATOM 351 CA TYR A 20 9.297 -1.477 -5.964 1.00 0.00 C ATOM 352 C TYR A 20 9.577 -0.158 -6.708 1.00 0.00 C ATOM 353 O TYR A 20 10.200 -0.207 -7.772 1.00 0.00 O ATOM 354 CB TYR A 20 8.428 -2.397 -6.840 1.00 0.00 C ATOM 355 CG TYR A 20 8.371 -3.834 -6.362 1.00 0.00 C ATOM 356 CD1 TYR A 20 7.136 -4.459 -6.117 1.00 0.00 C ATOM 357 CD2 TYR A 20 9.567 -4.555 -6.207 1.00 0.00 C ATOM 358 CE1 TYR A 20 7.101 -5.809 -5.722 1.00 0.00 C ATOM 359 CE2 TYR A 20 9.537 -5.889 -5.761 1.00 0.00 C ATOM 360 CZ TYR A 20 8.303 -6.521 -5.512 1.00 0.00 C ATOM 361 OH TYR A 20 8.290 -7.815 -5.093 1.00 0.00 O ATOM 0 H TYR A 20 7.702 -1.156 -4.646 1.00 0.00 H new ATOM 0 HA TYR A 20 10.298 -1.870 -5.785 1.00 0.00 H new ATOM 0 HB2 TYR A 20 7.415 -1.997 -6.875 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.813 -2.380 -7.860 1.00 0.00 H new ATOM 0 HD1 TYR A 20 6.216 -3.904 -6.232 1.00 0.00 H new ATOM 0 HD2 TYR A 20 10.513 -4.084 -6.431 1.00 0.00 H new ATOM 0 HE1 TYR A 20 6.151 -6.303 -5.579 1.00 0.00 H new ATOM 0 HE2 TYR A 20 10.460 -6.429 -5.610 1.00 0.00 H new ATOM 0 HH TYR A 20 8.349 -8.411 -5.869 1.00 0.00 H new ATOM 371 N ARG A 21 9.136 0.994 -6.178 1.00 0.00 N ATOM 372 CA ARG A 21 9.331 2.364 -6.734 1.00 0.00 C ATOM 373 C ARG A 21 9.171 2.440 -8.267 1.00 0.00 C ATOM 374 O ARG A 21 10.137 2.462 -9.032 1.00 0.00 O ATOM 375 CB ARG A 21 10.689 2.924 -6.250 1.00 0.00 C ATOM 376 CG ARG A 21 10.652 3.415 -4.794 1.00 0.00 C ATOM 377 CD ARG A 21 10.184 4.876 -4.707 1.00 0.00 C ATOM 378 NE ARG A 21 10.009 5.314 -3.308 1.00 0.00 N ATOM 379 CZ ARG A 21 9.539 6.485 -2.912 1.00 0.00 C ATOM 380 NH1 ARG A 21 9.408 6.782 -1.656 1.00 0.00 N ATOM 381 NH2 ARG A 21 9.179 7.421 -3.737 1.00 0.00 N ATOM 0 H ARG A 21 8.606 1.008 -5.307 1.00 0.00 H new ATOM 0 HA ARG A 21 8.530 2.996 -6.351 1.00 0.00 H new ATOM 0 HB2 ARG A 21 11.450 2.150 -6.347 1.00 0.00 H new ATOM 0 HB3 ARG A 21 10.988 3.748 -6.898 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.983 2.782 -4.212 1.00 0.00 H new ATOM 0 HG3 ARG A 21 11.644 3.322 -4.352 1.00 0.00 H new ATOM 0 HD2 ARG A 21 10.911 5.520 -5.201 1.00 0.00 H new ATOM 0 HD3 ARG A 21 9.242 4.988 -5.243 1.00 0.00 H new ATOM 0 HE ARG A 21 10.275 4.652 -2.579 1.00 0.00 H new ATOM 0 HH11 ARG A 21 9.671 6.103 -0.941 1.00 0.00 H new ATOM 0 HH12 ARG A 21 9.042 7.694 -1.383 1.00 0.00 H new ATOM 0 HH21 ARG A 21 9.253 7.270 -4.743 1.00 0.00 H new ATOM 0 HH22 ARG A 21 8.823 8.307 -3.379 1.00 0.00 H new ATOM 395 N ILE A 22 7.912 2.444 -8.700 1.00 0.00 N ATOM 396 CA ILE A 22 7.487 2.206 -10.092 1.00 0.00 C ATOM 397 C ILE A 22 7.577 3.461 -10.993 1.00 0.00 C ATOM 398 O ILE A 22 7.346 4.573 -10.508 1.00 0.00 O ATOM 399 CB ILE A 22 6.063 1.601 -10.118 1.00 0.00 C ATOM 400 CG1 ILE A 22 5.000 2.619 -9.640 1.00 0.00 C ATOM 401 CG2 ILE A 22 6.045 0.291 -9.318 1.00 0.00 C ATOM 402 CD1 ILE A 22 3.607 2.042 -9.390 1.00 0.00 C ATOM 0 H ILE A 22 7.126 2.619 -8.074 1.00 0.00 H new ATOM 0 HA ILE A 22 8.192 1.491 -10.516 1.00 0.00 H new ATOM 0 HB ILE A 22 5.794 1.364 -11.147 1.00 0.00 H new ATOM 0 HG12 ILE A 22 5.354 3.083 -8.719 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.919 3.411 -10.385 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.041 -0.133 -9.338 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.747 -0.416 -9.761 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.334 0.491 -8.286 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.938 2.836 -9.059 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.223 1.605 -10.312 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.665 1.272 -8.621 1.00 0.00 H new ATOM 414 N PRO A 23 7.854 3.307 -12.305 1.00 0.00 N ATOM 415 CA PRO A 23 7.818 4.417 -13.260 1.00 0.00 C ATOM 416 C PRO A 23 6.419 4.987 -13.618 1.00 0.00 C ATOM 417 O PRO A 23 6.296 6.216 -13.640 1.00 0.00 O ATOM 418 CB PRO A 23 8.616 3.959 -14.488 1.00 0.00 C ATOM 419 CG PRO A 23 8.782 2.443 -14.353 1.00 0.00 C ATOM 420 CD PRO A 23 8.466 2.122 -12.894 1.00 0.00 C ATOM 0 HA PRO A 23 8.268 5.287 -12.782 1.00 0.00 H new ATOM 0 HB2 PRO A 23 8.091 4.212 -15.409 1.00 0.00 H new ATOM 0 HB3 PRO A 23 9.586 4.454 -14.528 1.00 0.00 H new ATOM 0 HG2 PRO A 23 8.107 1.914 -15.026 1.00 0.00 H new ATOM 0 HG3 PRO A 23 9.795 2.135 -14.611 1.00 0.00 H new ATOM 0 HD2 PRO A 23 7.791 1.269 -12.827 1.00 0.00 H new ATOM 0 HD3 PRO A 23 9.375 1.852 -12.356 1.00 0.00 H new ATOM 428 N PRO A 24 5.364 4.190 -13.908 1.00 0.00 N ATOM 429 CA PRO A 24 4.073 4.715 -14.374 1.00 0.00 C ATOM 430 C PRO A 24 3.162 5.236 -13.248 1.00 0.00 C ATOM 431 O PRO A 24 3.251 4.805 -12.096 1.00 0.00 O ATOM 432 CB PRO A 24 3.411 3.552 -15.124 1.00 0.00 C ATOM 433 CG PRO A 24 3.930 2.333 -14.368 1.00 0.00 C ATOM 434 CD PRO A 24 5.363 2.740 -14.040 1.00 0.00 C ATOM 0 HA PRO A 24 4.236 5.589 -15.004 1.00 0.00 H new ATOM 0 HB2 PRO A 24 2.323 3.616 -15.093 1.00 0.00 H new ATOM 0 HB3 PRO A 24 3.699 3.531 -16.175 1.00 0.00 H new ATOM 0 HG2 PRO A 24 3.348 2.134 -13.468 1.00 0.00 H new ATOM 0 HG3 PRO A 24 3.893 1.430 -14.978 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.699 2.267 -13.117 1.00 0.00 H new ATOM 0 HD3 PRO A 24 6.046 2.422 -14.828 1.00 0.00 H new ATOM 525 N GLY A 30 -4.804 -0.596 -15.288 1.00 0.00 N ATOM 526 CA GLY A 30 -4.310 -0.245 -13.958 1.00 0.00 C ATOM 527 C GLY A 30 -2.832 0.142 -13.932 1.00 0.00 C ATOM 528 O GLY A 30 -2.469 1.287 -14.203 1.00 0.00 O ATOM 0 HA2 GLY A 30 -4.900 0.585 -13.569 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.467 -1.090 -13.288 1.00 0.00 H new ATOM 532 N TYR A 31 -1.986 -0.831 -13.601 1.00 0.00 N ATOM 533 CA TYR A 31 -0.525 -0.694 -13.516 1.00 0.00 C ATOM 534 C TYR A 31 0.270 -1.879 -14.066 1.00 0.00 C ATOM 535 O TYR A 31 1.386 -1.652 -14.530 1.00 0.00 O ATOM 536 CB TYR A 31 -0.111 -0.519 -12.055 1.00 0.00 C ATOM 537 CG TYR A 31 -0.421 0.834 -11.473 1.00 0.00 C ATOM 538 CD1 TYR A 31 0.545 1.853 -11.561 1.00 0.00 C ATOM 539 CD2 TYR A 31 -1.629 1.043 -10.786 1.00 0.00 C ATOM 540 CE1 TYR A 31 0.312 3.086 -10.929 1.00 0.00 C ATOM 541 CE2 TYR A 31 -1.868 2.280 -10.160 1.00 0.00 C ATOM 542 CZ TYR A 31 -0.896 3.304 -10.222 1.00 0.00 C ATOM 543 OH TYR A 31 -1.114 4.466 -9.549 1.00 0.00 O ATOM 0 H TYR A 31 -2.306 -1.773 -13.375 1.00 0.00 H new ATOM 0 HA TYR A 31 -0.291 0.172 -14.135 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -0.610 -1.281 -11.456 1.00 0.00 H new ATOM 0 HB3 TYR A 31 0.961 -0.699 -11.971 1.00 0.00 H new ATOM 0 HD1 TYR A 31 1.460 1.689 -12.111 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -2.370 0.258 -10.739 1.00 0.00 H new ATOM 0 HE1 TYR A 31 1.055 3.868 -10.982 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -2.795 2.447 -9.632 1.00 0.00 H new ATOM 0 HH TYR A 31 -1.997 4.438 -9.125 1.00 0.00 H new ATOM 553 N ARG A 32 -0.269 -3.106 -13.959 1.00 0.00 N ATOM 554 CA ARG A 32 0.351 -4.424 -14.161 1.00 0.00 C ATOM 555 C ARG A 32 1.780 -4.546 -13.616 1.00 0.00 C ATOM 556 O ARG A 32 2.726 -4.066 -14.226 1.00 0.00 O ATOM 557 CB ARG A 32 0.218 -4.946 -15.610 1.00 0.00 C ATOM 558 CG ARG A 32 -0.722 -4.223 -16.593 1.00 0.00 C ATOM 559 CD ARG A 32 -0.024 -3.115 -17.389 1.00 0.00 C ATOM 560 NE ARG A 32 0.769 -3.688 -18.496 1.00 0.00 N ATOM 561 CZ ARG A 32 1.782 -3.104 -19.106 1.00 0.00 C ATOM 562 NH1 ARG A 32 2.588 -3.784 -19.867 1.00 0.00 N ATOM 563 NH2 ARG A 32 2.037 -1.841 -18.959 1.00 0.00 N ATOM 0 H ARG A 32 -1.251 -3.207 -13.702 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.242 -5.094 -13.539 1.00 0.00 H new ATOM 0 HB2 ARG A 32 1.215 -4.945 -16.051 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -0.105 -5.986 -15.554 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -1.142 -4.951 -17.287 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -1.556 -3.793 -16.039 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -0.766 -2.423 -17.787 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.626 -2.540 -16.729 1.00 0.00 H new ATOM 0 HE ARG A 32 0.509 -4.620 -18.818 1.00 0.00 H new ATOM 0 HH11 ARG A 32 2.442 -4.785 -19.999 1.00 0.00 H new ATOM 0 HH12 ARG A 32 3.367 -3.317 -20.331 1.00 0.00 H new ATOM 0 HH21 ARG A 32 1.446 -1.268 -18.357 1.00 0.00 H new ATOM 0 HH22 ARG A 32 2.829 -1.421 -19.445 1.00 0.00 H new ATOM 577 N ALA A 33 1.963 -5.283 -12.516 1.00 0.00 N ATOM 578 CA ALA A 33 3.275 -5.480 -11.882 1.00 0.00 C ATOM 579 C ALA A 33 4.368 -5.974 -12.854 1.00 0.00 C ATOM 580 O ALA A 33 5.536 -5.617 -12.713 1.00 0.00 O ATOM 581 CB ALA A 33 3.098 -6.458 -10.718 1.00 0.00 C ATOM 0 H ALA A 33 1.202 -5.763 -12.036 1.00 0.00 H new ATOM 0 HA ALA A 33 3.627 -4.511 -11.529 1.00 0.00 H new ATOM 0 HB1 ALA A 33 4.059 -6.621 -10.230 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.392 -6.043 -9.999 1.00 0.00 H new ATOM 0 HB3 ALA A 33 2.717 -7.407 -11.095 1.00 0.00 H new ATOM 587 N SER A 34 3.980 -6.756 -13.870 1.00 0.00 N ATOM 588 CA SER A 34 4.877 -7.284 -14.909 1.00 0.00 C ATOM 589 C SER A 34 5.465 -6.198 -15.834 1.00 0.00 C ATOM 590 O SER A 34 6.436 -6.459 -16.544 1.00 0.00 O ATOM 591 CB SER A 34 4.116 -8.338 -15.723 1.00 0.00 C ATOM 592 OG SER A 34 5.012 -9.198 -16.404 1.00 0.00 O ATOM 0 H SER A 34 3.010 -7.047 -13.996 1.00 0.00 H new ATOM 0 HA SER A 34 5.736 -7.729 -14.407 1.00 0.00 H new ATOM 0 HB2 SER A 34 3.478 -8.923 -15.061 1.00 0.00 H new ATOM 0 HB3 SER A 34 3.462 -7.845 -16.442 1.00 0.00 H new ATOM 0 HG SER A 34 5.790 -8.685 -16.708 1.00 0.00 H new ATOM 598 N ASP A 35 4.918 -4.975 -15.825 1.00 0.00 N ATOM 599 CA ASP A 35 5.496 -3.815 -16.516 1.00 0.00 C ATOM 600 C ASP A 35 6.743 -3.248 -15.806 1.00 0.00 C ATOM 601 O ASP A 35 7.571 -2.593 -16.445 1.00 0.00 O ATOM 602 CB ASP A 35 4.418 -2.731 -16.620 1.00 0.00 C ATOM 603 CG ASP A 35 4.850 -1.557 -17.518 1.00 0.00 C ATOM 604 OD1 ASP A 35 4.817 -1.709 -18.764 1.00 0.00 O ATOM 605 OD2 ASP A 35 5.164 -0.467 -16.986 1.00 0.00 O ATOM 0 H ASP A 35 4.051 -4.761 -15.332 1.00 0.00 H new ATOM 0 HA ASP A 35 5.826 -4.141 -17.502 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.502 -3.170 -17.016 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.186 -2.356 -15.623 1.00 0.00 H new ATOM 610 N TRP A 36 6.890 -3.499 -14.499 1.00 0.00 N ATOM 611 CA TRP A 36 7.926 -2.919 -13.638 1.00 0.00 C ATOM 612 C TRP A 36 8.603 -3.988 -12.751 1.00 0.00 C ATOM 613 O TRP A 36 8.609 -5.178 -13.076 1.00 0.00 O ATOM 614 CB TRP A 36 7.359 -1.689 -12.901 1.00 0.00 C ATOM 615 CG TRP A 36 5.918 -1.709 -12.510 1.00 0.00 C ATOM 616 CD1 TRP A 36 4.936 -1.148 -13.245 1.00 0.00 C ATOM 617 CD2 TRP A 36 5.268 -2.261 -11.325 1.00 0.00 C ATOM 618 NE1 TRP A 36 3.722 -1.317 -12.618 1.00 0.00 N ATOM 619 CE2 TRP A 36 3.883 -1.910 -11.381 1.00 0.00 C ATOM 620 CE3 TRP A 36 5.706 -2.988 -10.195 1.00 0.00 C ATOM 621 CZ2 TRP A 36 3.002 -2.199 -10.330 1.00 0.00 C ATOM 622 CZ3 TRP A 36 4.816 -3.313 -9.152 1.00 0.00 C ATOM 623 CH2 TRP A 36 3.473 -2.899 -9.205 1.00 0.00 C ATOM 0 H TRP A 36 6.269 -4.133 -13.996 1.00 0.00 H new ATOM 0 HA TRP A 36 8.752 -2.543 -14.242 1.00 0.00 H new ATOM 0 HB2 TRP A 36 7.948 -1.541 -11.996 1.00 0.00 H new ATOM 0 HB3 TRP A 36 7.521 -0.816 -13.534 1.00 0.00 H new ATOM 0 HD1 TRP A 36 5.081 -0.641 -14.187 1.00 0.00 H new ATOM 0 HE1 TRP A 36 2.823 -1.041 -13.014 1.00 0.00 H new ATOM 0 HE3 TRP A 36 6.738 -3.299 -10.130 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 1.970 -1.887 -10.384 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 5.168 -3.884 -8.306 1.00 0.00 H new ATOM 0 HH2 TRP A 36 2.806 -3.118 -8.385 1.00 0.00 H new ATOM 634 N LYS A 37 9.268 -3.564 -11.668 1.00 0.00 N ATOM 635 CA LYS A 37 10.275 -4.335 -10.921 1.00 0.00 C ATOM 636 C LYS A 37 9.731 -5.406 -9.966 1.00 0.00 C ATOM 637 O LYS A 37 10.229 -5.516 -8.851 1.00 0.00 O ATOM 638 CB LYS A 37 11.208 -3.368 -10.175 1.00 0.00 C ATOM 639 CG LYS A 37 11.957 -2.391 -11.088 1.00 0.00 C ATOM 640 CD LYS A 37 13.376 -2.168 -10.552 1.00 0.00 C ATOM 641 CE LYS A 37 13.466 -1.685 -9.099 1.00 0.00 C ATOM 642 NZ LYS A 37 12.821 -0.367 -8.879 1.00 0.00 N ATOM 0 H LYS A 37 9.114 -2.637 -11.271 1.00 0.00 H new ATOM 0 HA LYS A 37 10.817 -4.906 -11.675 1.00 0.00 H new ATOM 0 HB2 LYS A 37 10.622 -2.798 -9.454 1.00 0.00 H new ATOM 0 HB3 LYS A 37 11.935 -3.948 -9.607 1.00 0.00 H new ATOM 0 HG2 LYS A 37 11.999 -2.786 -12.103 1.00 0.00 H new ATOM 0 HG3 LYS A 37 11.423 -1.442 -11.137 1.00 0.00 H new ATOM 0 HD2 LYS A 37 13.930 -3.103 -10.641 1.00 0.00 H new ATOM 0 HD3 LYS A 37 13.876 -1.439 -11.190 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.999 -2.424 -8.448 1.00 0.00 H new ATOM 0 HE3 LYS A 37 14.515 -1.622 -8.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 13.317 0.140 -8.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 12.866 0.192 -9.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.827 -0.508 -8.609 1.00 0.00 H new ATOM 656 N LEU A 38 8.765 -6.229 -10.374 1.00 0.00 N ATOM 657 CA LEU A 38 8.066 -7.172 -9.472 1.00 0.00 C ATOM 658 C LEU A 38 8.948 -8.242 -8.775 1.00 0.00 C ATOM 659 O LEU A 38 8.446 -9.013 -7.958 1.00 0.00 O ATOM 660 CB LEU A 38 6.824 -7.781 -10.155 1.00 0.00 C ATOM 661 CG LEU A 38 7.025 -8.788 -11.306 1.00 0.00 C ATOM 662 CD1 LEU A 38 7.782 -10.068 -10.958 1.00 0.00 C ATOM 663 CD2 LEU A 38 5.657 -9.257 -11.823 1.00 0.00 C ATOM 0 H LEU A 38 8.438 -6.268 -11.339 1.00 0.00 H new ATOM 0 HA LEU A 38 7.740 -6.552 -8.637 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.233 -8.275 -9.384 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.222 -6.957 -10.539 1.00 0.00 H new ATOM 0 HG LEU A 38 7.621 -8.231 -12.029 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.861 -10.697 -11.845 1.00 0.00 H new ATOM 0 HD12 LEU A 38 8.781 -9.815 -10.603 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.245 -10.607 -10.178 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.800 -9.969 -12.636 1.00 0.00 H new ATOM 0 HD22 LEU A 38 5.107 -9.737 -11.013 1.00 0.00 H new ATOM 0 HD23 LEU A 38 5.092 -8.399 -12.187 1.00 0.00 H new ATOM 675 N ASP A 39 10.246 -8.305 -9.101 1.00 0.00 N ATOM 676 CA ASP A 39 11.239 -9.206 -8.509 1.00 0.00 C ATOM 677 C ASP A 39 12.339 -8.474 -7.691 1.00 0.00 C ATOM 678 O ASP A 39 13.150 -9.127 -7.031 1.00 0.00 O ATOM 679 CB ASP A 39 11.842 -10.051 -9.646 1.00 0.00 C ATOM 680 CG ASP A 39 12.758 -11.184 -9.145 1.00 0.00 C ATOM 681 OD1 ASP A 39 13.961 -11.195 -9.505 1.00 0.00 O ATOM 682 OD2 ASP A 39 12.270 -12.084 -8.417 1.00 0.00 O ATOM 0 H ASP A 39 10.649 -7.701 -9.817 1.00 0.00 H new ATOM 0 HA ASP A 39 10.739 -9.842 -7.779 1.00 0.00 H new ATOM 0 HB2 ASP A 39 11.034 -10.482 -10.237 1.00 0.00 H new ATOM 0 HB3 ASP A 39 12.411 -9.400 -10.310 1.00 0.00 H new ATOM 687 N GLN A 40 12.403 -7.131 -7.730 1.00 0.00 N ATOM 688 CA GLN A 40 13.551 -6.330 -7.257 1.00 0.00 C ATOM 689 C GLN A 40 13.131 -5.128 -6.379 1.00 0.00 C ATOM 690 O GLN A 40 12.958 -4.022 -6.901 1.00 0.00 O ATOM 691 CB GLN A 40 14.384 -5.840 -8.462 1.00 0.00 C ATOM 692 CG GLN A 40 14.964 -6.971 -9.318 1.00 0.00 C ATOM 693 CD GLN A 40 15.928 -6.441 -10.376 1.00 0.00 C ATOM 694 OE1 GLN A 40 17.141 -6.415 -10.198 1.00 0.00 O ATOM 695 NE2 GLN A 40 15.440 -5.984 -11.511 1.00 0.00 N ATOM 0 H GLN A 40 11.643 -6.559 -8.098 1.00 0.00 H new ATOM 0 HA GLN A 40 14.154 -6.984 -6.627 1.00 0.00 H new ATOM 0 HB2 GLN A 40 13.758 -5.207 -9.090 1.00 0.00 H new ATOM 0 HB3 GLN A 40 15.201 -5.218 -8.097 1.00 0.00 H new ATOM 0 HG2 GLN A 40 15.483 -7.683 -8.677 1.00 0.00 H new ATOM 0 HG3 GLN A 40 14.152 -7.513 -9.804 1.00 0.00 H new ATOM 0 HE21 GLN A 40 14.434 -5.998 -11.676 1.00 0.00 H new ATOM 0 HE22 GLN A 40 16.069 -5.616 -12.225 1.00 0.00 H new ATOM 704 N PRO A 41 12.967 -5.294 -5.051 1.00 0.00 N ATOM 705 CA PRO A 41 12.590 -4.196 -4.158 1.00 0.00 C ATOM 706 C PRO A 41 13.746 -3.211 -3.906 1.00 0.00 C ATOM 707 O PRO A 41 14.917 -3.596 -3.864 1.00 0.00 O ATOM 708 CB PRO A 41 12.104 -4.873 -2.874 1.00 0.00 C ATOM 709 CG PRO A 41 12.925 -6.161 -2.827 1.00 0.00 C ATOM 710 CD PRO A 41 13.092 -6.538 -4.301 1.00 0.00 C ATOM 0 HA PRO A 41 11.812 -3.574 -4.600 1.00 0.00 H new ATOM 0 HB2 PRO A 41 12.282 -4.250 -1.998 1.00 0.00 H new ATOM 0 HB3 PRO A 41 11.034 -5.078 -2.907 1.00 0.00 H new ATOM 0 HG2 PRO A 41 13.889 -6.004 -2.342 1.00 0.00 H new ATOM 0 HG3 PRO A 41 12.411 -6.944 -2.269 1.00 0.00 H new ATOM 0 HD2 PRO A 41 14.062 -7.004 -4.477 1.00 0.00 H new ATOM 0 HD3 PRO A 41 12.332 -7.257 -4.608 1.00 0.00 H new ATOM 718 N ASP A 42 13.408 -1.939 -3.688 1.00 0.00 N ATOM 719 CA ASP A 42 14.337 -0.878 -3.261 1.00 0.00 C ATOM 720 C ASP A 42 14.292 -0.645 -1.742 1.00 0.00 C ATOM 721 O ASP A 42 15.260 -0.150 -1.158 1.00 0.00 O ATOM 722 CB ASP A 42 14.013 0.427 -3.999 1.00 0.00 C ATOM 723 CG ASP A 42 14.440 0.378 -5.470 1.00 0.00 C ATOM 724 OD1 ASP A 42 13.552 0.392 -6.352 1.00 0.00 O ATOM 725 OD2 ASP A 42 15.662 0.353 -5.750 1.00 0.00 O ATOM 0 H ASP A 42 12.452 -1.603 -3.806 1.00 0.00 H new ATOM 0 HA ASP A 42 15.346 -1.205 -3.512 1.00 0.00 H new ATOM 0 HB2 ASP A 42 12.942 0.621 -3.939 1.00 0.00 H new ATOM 0 HB3 ASP A 42 14.515 1.258 -3.503 1.00 0.00 H new ATOM 730 N TRP A 43 13.182 -1.020 -1.096 1.00 0.00 N ATOM 731 CA TRP A 43 12.981 -0.943 0.350 1.00 0.00 C ATOM 732 C TRP A 43 12.164 -2.136 0.861 1.00 0.00 C ATOM 733 O TRP A 43 11.274 -2.631 0.164 1.00 0.00 O ATOM 734 CB TRP A 43 12.294 0.384 0.699 1.00 0.00 C ATOM 735 CG TRP A 43 11.964 0.562 2.149 1.00 0.00 C ATOM 736 CD1 TRP A 43 12.753 1.156 3.072 1.00 0.00 C ATOM 737 CD2 TRP A 43 10.769 0.122 2.868 1.00 0.00 C ATOM 738 NE1 TRP A 43 12.134 1.116 4.307 1.00 0.00 N ATOM 739 CE2 TRP A 43 10.907 0.490 4.238 1.00 0.00 C ATOM 740 CE3 TRP A 43 9.587 -0.560 2.503 1.00 0.00 C ATOM 741 CZ2 TRP A 43 9.919 0.210 5.192 1.00 0.00 C ATOM 742 CZ3 TRP A 43 8.591 -0.852 3.454 1.00 0.00 C ATOM 743 CH2 TRP A 43 8.757 -0.475 4.799 1.00 0.00 C ATOM 0 H TRP A 43 12.372 -1.399 -1.586 1.00 0.00 H new ATOM 0 HA TRP A 43 13.952 -0.982 0.844 1.00 0.00 H new ATOM 0 HB2 TRP A 43 12.940 1.204 0.385 1.00 0.00 H new ATOM 0 HB3 TRP A 43 11.374 0.463 0.120 1.00 0.00 H new ATOM 0 HD1 TRP A 43 13.720 1.595 2.874 1.00 0.00 H new ATOM 0 HE1 TRP A 43 12.534 1.501 5.162 1.00 0.00 H new ATOM 0 HE3 TRP A 43 9.445 -0.863 1.476 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 10.050 0.518 6.219 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 7.693 -1.369 3.149 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.994 -0.711 5.526 1.00 0.00 H new ATOM 754 N THR A 44 12.443 -2.585 2.088 1.00 0.00 N ATOM 755 CA THR A 44 11.694 -3.628 2.799 1.00 0.00 C ATOM 756 C THR A 44 11.544 -3.302 4.288 1.00 0.00 C ATOM 757 O THR A 44 12.379 -2.610 4.881 1.00 0.00 O ATOM 758 CB THR A 44 12.356 -5.008 2.638 1.00 0.00 C ATOM 759 OG1 THR A 44 13.639 -5.039 3.230 1.00 0.00 O ATOM 760 CG2 THR A 44 12.524 -5.452 1.187 1.00 0.00 C ATOM 0 H THR A 44 13.224 -2.220 2.634 1.00 0.00 H new ATOM 0 HA THR A 44 10.702 -3.660 2.348 1.00 0.00 H new ATOM 0 HB THR A 44 11.669 -5.691 3.137 1.00 0.00 H new ATOM 0 HG1 THR A 44 14.032 -5.929 3.112 1.00 0.00 H new ATOM 0 HG21 THR A 44 12.998 -6.433 1.159 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.547 -5.507 0.708 1.00 0.00 H new ATOM 0 HG23 THR A 44 13.148 -4.733 0.656 1.00 0.00 H new ATOM 768 N GLY A 45 10.475 -3.810 4.906 1.00 0.00 N ATOM 769 CA GLY A 45 10.180 -3.557 6.316 1.00 0.00 C ATOM 770 C GLY A 45 8.877 -4.189 6.806 1.00 0.00 C ATOM 771 O GLY A 45 8.647 -5.389 6.642 1.00 0.00 O ATOM 0 H GLY A 45 9.791 -4.408 4.442 1.00 0.00 H new ATOM 0 HA2 GLY A 45 11.004 -3.934 6.922 1.00 0.00 H new ATOM 0 HA3 GLY A 45 10.132 -2.480 6.478 1.00 0.00 H new ATOM 775 N ARG A 46 8.053 -3.358 7.446 1.00 0.00 N ATOM 776 CA ARG A 46 6.839 -3.696 8.214 1.00 0.00 C ATOM 777 C ARG A 46 5.667 -2.789 7.810 1.00 0.00 C ATOM 778 O ARG A 46 5.862 -1.611 7.514 1.00 0.00 O ATOM 779 CB ARG A 46 7.187 -3.574 9.712 1.00 0.00 C ATOM 780 CG ARG A 46 6.048 -3.990 10.656 1.00 0.00 C ATOM 781 CD ARG A 46 6.473 -3.962 12.130 1.00 0.00 C ATOM 782 NE ARG A 46 6.678 -2.589 12.638 1.00 0.00 N ATOM 783 CZ ARG A 46 7.528 -2.202 13.571 1.00 0.00 C ATOM 784 NH1 ARG A 46 7.480 -0.975 13.989 1.00 0.00 N ATOM 785 NH2 ARG A 46 8.408 -2.999 14.109 1.00 0.00 N ATOM 0 H ARG A 46 8.224 -2.352 7.445 1.00 0.00 H new ATOM 0 HA ARG A 46 6.516 -4.715 8.001 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.062 -4.189 9.922 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.464 -2.542 9.927 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.198 -3.323 10.513 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.712 -4.994 10.396 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.712 -4.458 12.733 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.395 -4.531 12.249 1.00 0.00 H new ATOM 0 HE ARG A 46 6.099 -1.860 12.222 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.794 -0.329 13.597 1.00 0.00 H new ATOM 0 HH12 ARG A 46 8.128 -0.656 14.709 1.00 0.00 H new ATOM 0 HH21 ARG A 46 8.463 -3.973 13.812 1.00 0.00 H new ATOM 0 HH22 ARG A 46 9.042 -2.648 14.827 1.00 0.00 H new ATOM 799 N LEU A 47 4.448 -3.326 7.803 1.00 0.00 N ATOM 800 CA LEU A 47 3.221 -2.600 7.445 1.00 0.00 C ATOM 801 C LEU A 47 2.464 -2.133 8.695 1.00 0.00 C ATOM 802 O LEU A 47 2.299 -2.912 9.635 1.00 0.00 O ATOM 803 CB LEU A 47 2.329 -3.550 6.629 1.00 0.00 C ATOM 804 CG LEU A 47 0.984 -2.967 6.149 1.00 0.00 C ATOM 805 CD1 LEU A 47 1.145 -2.126 4.887 1.00 0.00 C ATOM 806 CD2 LEU A 47 -0.003 -4.105 5.901 1.00 0.00 C ATOM 0 H LEU A 47 4.277 -4.301 8.051 1.00 0.00 H new ATOM 0 HA LEU A 47 3.483 -1.714 6.866 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.890 -3.884 5.756 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.125 -4.434 7.233 1.00 0.00 H new ATOM 0 HG LEU A 47 0.603 -2.309 6.930 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.174 -1.735 4.584 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.824 -1.297 5.087 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.553 -2.744 4.087 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.954 -3.694 5.562 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.396 -4.773 5.138 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.157 -4.661 6.826 1.00 0.00 H new ATOM 818 N ARG A 48 1.881 -0.930 8.646 1.00 0.00 N ATOM 819 CA ARG A 48 0.762 -0.513 9.506 1.00 0.00 C ATOM 820 C ARG A 48 -0.351 0.090 8.650 1.00 0.00 C ATOM 821 O ARG A 48 -0.125 1.021 7.883 1.00 0.00 O ATOM 822 CB ARG A 48 1.231 0.515 10.556 1.00 0.00 C ATOM 823 CG ARG A 48 2.369 0.033 11.463 1.00 0.00 C ATOM 824 CD ARG A 48 1.973 -1.097 12.422 1.00 0.00 C ATOM 825 NE ARG A 48 1.473 -0.590 13.715 1.00 0.00 N ATOM 826 CZ ARG A 48 2.204 -0.152 14.726 1.00 0.00 C ATOM 827 NH1 ARG A 48 1.635 0.161 15.854 1.00 0.00 N ATOM 828 NH2 ARG A 48 3.498 -0.009 14.659 1.00 0.00 N ATOM 0 H ARG A 48 2.178 -0.203 7.995 1.00 0.00 H new ATOM 0 HA ARG A 48 0.383 -1.391 10.029 1.00 0.00 H new ATOM 0 HB2 ARG A 48 1.554 1.419 10.040 1.00 0.00 H new ATOM 0 HB3 ARG A 48 0.380 0.791 11.179 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.196 -0.308 10.840 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.736 0.877 12.046 1.00 0.00 H new ATOM 0 HD2 ARG A 48 1.205 -1.713 11.955 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.835 -1.740 12.596 1.00 0.00 H new ATOM 0 HE ARG A 48 0.461 -0.576 13.841 1.00 0.00 H new ATOM 0 HH11 ARG A 48 0.625 0.068 15.958 1.00 0.00 H new ATOM 0 HH12 ARG A 48 2.200 0.499 16.633 1.00 0.00 H new ATOM 0 HH21 ARG A 48 3.993 -0.239 13.797 1.00 0.00 H new ATOM 0 HH22 ARG A 48 4.016 0.333 15.468 1.00 0.00 H new ATOM 842 N ILE A 49 -1.570 -0.406 8.808 1.00 0.00 N ATOM 843 CA ILE A 49 -2.779 0.223 8.274 1.00 0.00 C ATOM 844 C ILE A 49 -3.567 0.754 9.461 1.00 0.00 C ATOM 845 O ILE A 49 -3.886 0.007 10.387 1.00 0.00 O ATOM 846 CB ILE A 49 -3.584 -0.748 7.391 1.00 0.00 C ATOM 847 CG1 ILE A 49 -2.713 -1.183 6.192 1.00 0.00 C ATOM 848 CG2 ILE A 49 -4.895 -0.111 6.905 1.00 0.00 C ATOM 849 CD1 ILE A 49 -3.424 -2.091 5.189 1.00 0.00 C ATOM 0 H ILE A 49 -1.754 -1.270 9.318 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.529 1.050 7.609 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.851 -1.622 7.985 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.363 -0.292 5.671 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.830 -1.700 6.569 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -5.438 -0.824 6.285 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.507 0.162 7.764 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.671 0.782 6.321 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.739 -2.347 4.381 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.750 -3.002 5.691 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.291 -1.572 4.779 1.00 0.00 H new ATOM 861 N THR A 50 -3.861 2.045 9.435 1.00 0.00 N ATOM 862 CA THR A 50 -4.555 2.793 10.491 1.00 0.00 C ATOM 863 C THR A 50 -5.776 3.514 9.909 1.00 0.00 C ATOM 864 O THR A 50 -5.924 3.602 8.691 1.00 0.00 O ATOM 865 CB THR A 50 -3.598 3.814 11.135 1.00 0.00 C ATOM 866 OG1 THR A 50 -3.015 4.580 10.114 1.00 0.00 O ATOM 867 CG2 THR A 50 -2.449 3.185 11.922 1.00 0.00 C ATOM 0 H THR A 50 -3.613 2.635 8.641 1.00 0.00 H new ATOM 0 HA THR A 50 -4.889 2.092 11.256 1.00 0.00 H new ATOM 0 HB THR A 50 -4.201 4.397 11.831 1.00 0.00 H new ATOM 0 HG1 THR A 50 -2.856 5.491 10.439 1.00 0.00 H new ATOM 0 HG21 THR A 50 -1.823 3.972 12.343 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.853 2.572 12.728 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.851 2.562 11.257 1.00 0.00 H new ATOM 875 N SER A 51 -6.669 4.042 10.750 1.00 0.00 N ATOM 876 CA SER A 51 -7.762 4.921 10.331 1.00 0.00 C ATOM 877 C SER A 51 -8.243 5.852 11.441 1.00 0.00 C ATOM 878 O SER A 51 -8.456 5.451 12.583 1.00 0.00 O ATOM 879 CB SER A 51 -8.962 4.123 9.817 1.00 0.00 C ATOM 880 OG SER A 51 -10.023 5.006 9.497 1.00 0.00 O ATOM 0 H SER A 51 -6.652 3.868 11.755 1.00 0.00 H new ATOM 0 HA SER A 51 -7.344 5.528 9.528 1.00 0.00 H new ATOM 0 HB2 SER A 51 -8.677 3.547 8.936 1.00 0.00 H new ATOM 0 HB3 SER A 51 -9.287 3.409 10.574 1.00 0.00 H new ATOM 0 HG SER A 51 -10.772 4.496 9.125 1.00 0.00 H new ATOM 886 N LYS A 52 -8.487 7.101 11.055 1.00 0.00 N ATOM 887 CA LYS A 52 -9.162 8.154 11.831 1.00 0.00 C ATOM 888 C LYS A 52 -10.684 8.241 11.526 1.00 0.00 C ATOM 889 O LYS A 52 -11.317 9.285 11.672 1.00 0.00 O ATOM 890 CB LYS A 52 -8.353 9.430 11.569 1.00 0.00 C ATOM 891 CG LYS A 52 -8.651 10.621 12.479 1.00 0.00 C ATOM 892 CD LYS A 52 -8.228 11.929 11.809 1.00 0.00 C ATOM 893 CE LYS A 52 -6.752 11.994 11.398 1.00 0.00 C ATOM 894 NZ LYS A 52 -6.486 13.164 10.528 1.00 0.00 N ATOM 0 H LYS A 52 -8.203 7.433 10.133 1.00 0.00 H new ATOM 0 HA LYS A 52 -9.171 7.947 12.901 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.294 9.188 11.659 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.524 9.737 10.537 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.716 10.652 12.710 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.123 10.504 13.425 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.844 12.083 10.923 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.437 12.754 12.490 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.126 12.051 12.289 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.478 11.079 10.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.479 13.181 10.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.066 13.096 9.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -6.726 14.038 11.038 1.00 0.00 H new ATOM 908 N GLY A 53 -11.277 7.136 11.066 1.00 0.00 N ATOM 909 CA GLY A 53 -12.678 7.015 10.634 1.00 0.00 C ATOM 910 C GLY A 53 -12.904 7.531 9.205 1.00 0.00 C ATOM 911 O GLY A 53 -12.622 8.693 8.909 1.00 0.00 O ATOM 0 H GLY A 53 -10.770 6.255 10.979 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -12.983 5.970 10.691 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -13.315 7.571 11.322 1.00 0.00 H new ATOM 915 N LYS A 54 -13.378 6.653 8.305 1.00 0.00 N ATOM 916 CA LYS A 54 -13.551 6.839 6.841 1.00 0.00 C ATOM 917 C LYS A 54 -12.296 7.199 6.040 1.00 0.00 C ATOM 918 O LYS A 54 -12.251 6.927 4.843 1.00 0.00 O ATOM 919 CB LYS A 54 -14.779 7.738 6.567 1.00 0.00 C ATOM 920 CG LYS A 54 -15.456 7.533 5.198 1.00 0.00 C ATOM 921 CD LYS A 54 -15.002 8.480 4.080 1.00 0.00 C ATOM 922 CE LYS A 54 -15.828 8.207 2.814 1.00 0.00 C ATOM 923 NZ LYS A 54 -15.244 8.889 1.628 1.00 0.00 N ATOM 0 H LYS A 54 -13.675 5.722 8.597 1.00 0.00 H new ATOM 0 HA LYS A 54 -13.754 5.849 6.433 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -15.518 7.563 7.349 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -14.470 8.780 6.648 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -15.276 6.508 4.875 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -16.533 7.643 5.326 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -15.127 9.517 4.393 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -13.941 8.335 3.874 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -15.874 7.133 2.632 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -16.852 8.549 2.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -15.929 8.873 0.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -15.019 9.875 1.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -14.375 8.397 1.337 1.00 0.00 H new ATOM 937 N THR A 55 -11.231 7.653 6.687 1.00 0.00 N ATOM 938 CA THR A 55 -9.907 7.777 6.079 1.00 0.00 C ATOM 939 C THR A 55 -8.986 6.723 6.663 1.00 0.00 C ATOM 940 O THR A 55 -8.673 6.774 7.855 1.00 0.00 O ATOM 941 CB THR A 55 -9.313 9.178 6.244 1.00 0.00 C ATOM 942 OG1 THR A 55 -10.273 10.181 5.971 1.00 0.00 O ATOM 943 CG2 THR A 55 -8.197 9.330 5.219 1.00 0.00 C ATOM 0 H THR A 55 -11.260 7.950 7.662 1.00 0.00 H new ATOM 0 HA THR A 55 -10.013 7.617 5.006 1.00 0.00 H new ATOM 0 HB THR A 55 -8.962 9.290 7.270 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.865 11.064 6.086 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.752 10.321 5.310 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.435 8.571 5.396 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.605 9.207 4.216 1.00 0.00 H new ATOM 951 N ALA A 56 -8.578 5.758 5.843 1.00 0.00 N ATOM 952 CA ALA A 56 -7.501 4.834 6.175 1.00 0.00 C ATOM 953 C ALA A 56 -6.153 5.450 5.771 1.00 0.00 C ATOM 954 O ALA A 56 -6.076 6.209 4.806 1.00 0.00 O ATOM 955 CB ALA A 56 -7.752 3.468 5.518 1.00 0.00 C ATOM 0 H ALA A 56 -8.989 5.595 4.924 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.472 4.663 7.251 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.940 2.787 5.774 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.696 3.059 5.878 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.798 3.588 4.436 1.00 0.00 H new ATOM 961 N TYR A 57 -5.080 5.121 6.482 1.00 0.00 N ATOM 962 CA TYR A 57 -3.729 5.566 6.166 1.00 0.00 C ATOM 963 C TYR A 57 -2.824 4.334 6.062 1.00 0.00 C ATOM 964 O TYR A 57 -2.684 3.567 7.019 1.00 0.00 O ATOM 965 CB TYR A 57 -3.255 6.592 7.209 1.00 0.00 C ATOM 966 CG TYR A 57 -4.120 7.839 7.350 1.00 0.00 C ATOM 967 CD1 TYR A 57 -3.776 9.016 6.659 1.00 0.00 C ATOM 968 CD2 TYR A 57 -5.262 7.833 8.182 1.00 0.00 C ATOM 969 CE1 TYR A 57 -4.568 10.175 6.787 1.00 0.00 C ATOM 970 CE2 TYR A 57 -6.075 8.977 8.287 1.00 0.00 C ATOM 971 CZ TYR A 57 -5.723 10.158 7.602 1.00 0.00 C ATOM 972 OH TYR A 57 -6.493 11.274 7.738 1.00 0.00 O ATOM 0 H TYR A 57 -5.127 4.526 7.309 1.00 0.00 H new ATOM 0 HA TYR A 57 -3.696 6.080 5.205 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -3.201 6.098 8.179 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -2.242 6.902 6.952 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -2.900 9.031 6.027 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -5.513 6.944 8.742 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.292 11.077 6.262 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.969 8.950 8.893 1.00 0.00 H new ATOM 0 HH TYR A 57 -7.246 11.081 8.334 1.00 0.00 H new ATOM 982 N ILE A 58 -2.219 4.123 4.889 1.00 0.00 N ATOM 983 CA ILE A 58 -1.214 3.074 4.687 1.00 0.00 C ATOM 984 C ILE A 58 0.137 3.643 5.111 1.00 0.00 C ATOM 985 O ILE A 58 0.707 4.481 4.410 1.00 0.00 O ATOM 986 CB ILE A 58 -1.150 2.571 3.229 1.00 0.00 C ATOM 987 CG1 ILE A 58 -2.511 2.311 2.551 1.00 0.00 C ATOM 988 CG2 ILE A 58 -0.255 1.324 3.179 1.00 0.00 C ATOM 989 CD1 ILE A 58 -3.368 1.218 3.186 1.00 0.00 C ATOM 0 H ILE A 58 -2.412 4.674 4.053 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.489 2.207 5.288 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.726 3.385 2.641 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -3.080 3.240 2.552 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.333 2.048 1.508 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.200 0.957 2.154 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.746 1.580 3.527 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.675 0.549 3.820 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.301 1.119 2.631 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.828 0.271 3.160 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.588 1.483 4.220 1.00 0.00 H new ATOM 1001 N LYS A 59 0.639 3.204 6.262 1.00 0.00 N ATOM 1002 CA LYS A 59 1.959 3.561 6.797 1.00 0.00 C ATOM 1003 C LYS A 59 2.947 2.395 6.668 1.00 0.00 C ATOM 1004 O LYS A 59 2.599 1.232 6.876 1.00 0.00 O ATOM 1005 CB LYS A 59 1.798 4.057 8.239 1.00 0.00 C ATOM 1006 CG LYS A 59 1.226 5.484 8.246 1.00 0.00 C ATOM 1007 CD LYS A 59 0.897 5.944 9.671 1.00 0.00 C ATOM 1008 CE LYS A 59 0.840 7.471 9.773 1.00 0.00 C ATOM 1009 NZ LYS A 59 -0.353 8.035 9.097 1.00 0.00 N ATOM 0 H LYS A 59 0.125 2.568 6.872 1.00 0.00 H new ATOM 0 HA LYS A 59 2.388 4.373 6.210 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.136 3.389 8.790 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.762 4.041 8.747 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.945 6.169 7.797 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.326 5.520 7.633 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.060 5.523 9.978 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.650 5.561 10.360 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.832 7.763 10.823 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.741 7.897 9.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.349 9.071 9.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.334 7.780 8.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.214 7.651 9.535 1.00 0.00 H new ATOM 1023 N LEU A 60 4.196 2.707 6.331 1.00 0.00 N ATOM 1024 CA LEU A 60 5.273 1.730 6.152 1.00 0.00 C ATOM 1025 C LEU A 60 6.416 2.022 7.133 1.00 0.00 C ATOM 1026 O LEU A 60 6.896 3.151 7.199 1.00 0.00 O ATOM 1027 CB LEU A 60 5.738 1.770 4.683 1.00 0.00 C ATOM 1028 CG LEU A 60 4.683 1.316 3.653 1.00 0.00 C ATOM 1029 CD1 LEU A 60 5.238 1.485 2.240 1.00 0.00 C ATOM 1030 CD2 LEU A 60 4.314 -0.157 3.812 1.00 0.00 C ATOM 0 H LEU A 60 4.497 3.668 6.170 1.00 0.00 H new ATOM 0 HA LEU A 60 4.918 0.723 6.370 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.045 2.788 4.442 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.620 1.138 4.580 1.00 0.00 H new ATOM 0 HG LEU A 60 3.799 1.931 3.821 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.491 1.163 1.515 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.483 2.533 2.068 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.137 0.879 2.127 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.568 -0.428 3.064 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.204 -0.772 3.676 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.906 -0.324 4.809 1.00 0.00 H new ATOM 1042 N GLU A 61 6.846 1.023 7.900 1.00 0.00 N ATOM 1043 CA GLU A 61 7.810 1.162 9.001 1.00 0.00 C ATOM 1044 C GLU A 61 9.082 0.332 8.772 1.00 0.00 C ATOM 1045 O GLU A 61 9.028 -0.776 8.234 1.00 0.00 O ATOM 1046 CB GLU A 61 7.177 0.745 10.339 1.00 0.00 C ATOM 1047 CG GLU A 61 5.927 1.544 10.727 1.00 0.00 C ATOM 1048 CD GLU A 61 5.498 1.219 12.169 1.00 0.00 C ATOM 1049 OE1 GLU A 61 5.362 0.018 12.519 1.00 0.00 O ATOM 1050 OE2 GLU A 61 5.290 2.152 12.975 1.00 0.00 O ATOM 0 H GLU A 61 6.526 0.063 7.773 1.00 0.00 H new ATOM 0 HA GLU A 61 8.088 2.215 9.034 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.916 -0.312 10.289 1.00 0.00 H new ATOM 0 HB3 GLU A 61 7.921 0.853 11.128 1.00 0.00 H new ATOM 0 HG2 GLU A 61 6.128 2.611 10.634 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.114 1.312 10.040 1.00 0.00 H new ATOM 1057 N ASP A 62 10.237 0.825 9.222 1.00 0.00 N ATOM 1058 CA ASP A 62 11.496 0.098 9.194 1.00 0.00 C ATOM 1059 C ASP A 62 11.496 -0.992 10.280 1.00 0.00 C ATOM 1060 O ASP A 62 11.173 -0.733 11.443 1.00 0.00 O ATOM 1061 CB ASP A 62 12.627 1.121 9.361 1.00 0.00 C ATOM 1062 CG ASP A 62 13.986 0.432 9.467 1.00 0.00 C ATOM 1063 OD1 ASP A 62 14.684 0.281 8.438 1.00 0.00 O ATOM 1064 OD2 ASP A 62 14.318 0.011 10.595 1.00 0.00 O ATOM 0 H ASP A 62 10.319 1.759 9.623 1.00 0.00 H new ATOM 0 HA ASP A 62 11.642 -0.422 8.247 1.00 0.00 H new ATOM 0 HB2 ASP A 62 12.629 1.806 8.513 1.00 0.00 H new ATOM 0 HB3 ASP A 62 12.450 1.720 10.254 1.00 0.00 H new ATOM 1069 N LYS A 63 11.878 -2.220 9.912 1.00 0.00 N ATOM 1070 CA LYS A 63 11.836 -3.404 10.794 1.00 0.00 C ATOM 1071 C LYS A 63 12.812 -3.329 11.986 1.00 0.00 C ATOM 1072 O LYS A 63 12.661 -4.076 12.953 1.00 0.00 O ATOM 1073 CB LYS A 63 12.065 -4.644 9.907 1.00 0.00 C ATOM 1074 CG LYS A 63 12.059 -5.980 10.670 1.00 0.00 C ATOM 1075 CD LYS A 63 12.000 -7.203 9.745 1.00 0.00 C ATOM 1076 CE LYS A 63 10.604 -7.357 9.131 1.00 0.00 C ATOM 1077 NZ LYS A 63 10.476 -8.617 8.357 1.00 0.00 N ATOM 0 H LYS A 63 12.232 -2.428 8.978 1.00 0.00 H new ATOM 0 HA LYS A 63 10.860 -3.459 11.276 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.292 -4.674 9.139 1.00 0.00 H new ATOM 0 HB3 LYS A 63 13.020 -4.537 9.393 1.00 0.00 H new ATOM 0 HG2 LYS A 63 12.955 -6.042 11.288 1.00 0.00 H new ATOM 0 HG3 LYS A 63 11.204 -6.002 11.346 1.00 0.00 H new ATOM 0 HD2 LYS A 63 12.741 -7.101 8.952 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.256 -8.101 10.307 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.855 -7.340 9.923 1.00 0.00 H new ATOM 0 HE3 LYS A 63 10.398 -6.508 8.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 9.469 -8.847 8.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 10.922 -8.499 7.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 10.947 -9.389 8.870 1.00 0.00 H new ATOM 1091 N VAL A 64 13.795 -2.428 11.941 1.00 0.00 N ATOM 1092 CA VAL A 64 14.896 -2.314 12.908 1.00 0.00 C ATOM 1093 C VAL A 64 14.626 -1.201 13.915 1.00 0.00 C ATOM 1094 O VAL A 64 14.922 -1.373 15.100 1.00 0.00 O ATOM 1095 CB VAL A 64 16.246 -2.066 12.192 1.00 0.00 C ATOM 1096 CG1 VAL A 64 17.418 -2.438 13.106 1.00 0.00 C ATOM 1097 CG2 VAL A 64 16.388 -2.861 10.884 1.00 0.00 C ATOM 0 H VAL A 64 13.851 -1.728 11.201 1.00 0.00 H new ATOM 0 HA VAL A 64 14.959 -3.261 13.444 1.00 0.00 H new ATOM 0 HB VAL A 64 16.263 -1.003 11.952 1.00 0.00 H new ATOM 0 HG11 VAL A 64 18.358 -2.257 12.585 1.00 0.00 H new ATOM 0 HG12 VAL A 64 17.381 -1.830 14.010 1.00 0.00 H new ATOM 0 HG13 VAL A 64 17.350 -3.492 13.374 1.00 0.00 H new ATOM 0 HG21 VAL A 64 17.355 -2.644 10.430 1.00 0.00 H new ATOM 0 HG22 VAL A 64 16.318 -3.928 11.097 1.00 0.00 H new ATOM 0 HG23 VAL A 64 15.592 -2.575 10.196 1.00 0.00 H new ATOM 1107 N SER A 65 14.028 -0.089 13.465 1.00 0.00 N ATOM 1108 CA SER A 65 13.895 1.128 14.279 1.00 0.00 C ATOM 1109 C SER A 65 12.476 1.714 14.331 1.00 0.00 C ATOM 1110 O SER A 65 12.248 2.700 15.035 1.00 0.00 O ATOM 1111 CB SER A 65 14.900 2.185 13.794 1.00 0.00 C ATOM 1112 OG SER A 65 16.236 1.722 13.936 1.00 0.00 O ATOM 0 H SER A 65 13.625 -0.007 12.532 1.00 0.00 H new ATOM 0 HA SER A 65 14.115 0.832 15.305 1.00 0.00 H new ATOM 0 HB2 SER A 65 14.704 2.425 12.749 1.00 0.00 H new ATOM 0 HB3 SER A 65 14.768 3.105 14.363 1.00 0.00 H new ATOM 0 HG SER A 65 16.856 2.411 13.619 1.00 0.00 H new ATOM 1118 N GLY A 66 11.514 1.136 13.602 1.00 0.00 N ATOM 1119 CA GLY A 66 10.128 1.620 13.528 1.00 0.00 C ATOM 1120 C GLY A 66 9.959 2.955 12.788 1.00 0.00 C ATOM 1121 O GLY A 66 8.909 3.588 12.899 1.00 0.00 O ATOM 0 H GLY A 66 11.679 0.303 13.036 1.00 0.00 H new ATOM 0 HA2 GLY A 66 9.519 0.864 13.032 1.00 0.00 H new ATOM 0 HA3 GLY A 66 9.740 1.729 14.541 1.00 0.00 H new ATOM 1125 N GLU A 67 10.982 3.410 12.057 1.00 0.00 N ATOM 1126 CA GLU A 67 10.980 4.710 11.372 1.00 0.00 C ATOM 1127 C GLU A 67 10.039 4.708 10.158 1.00 0.00 C ATOM 1128 O GLU A 67 9.983 3.729 9.410 1.00 0.00 O ATOM 1129 CB GLU A 67 12.403 5.114 10.953 1.00 0.00 C ATOM 1130 CG GLU A 67 13.314 5.371 12.160 1.00 0.00 C ATOM 1131 CD GLU A 67 14.689 5.903 11.714 1.00 0.00 C ATOM 1132 OE1 GLU A 67 15.609 5.088 11.460 1.00 0.00 O ATOM 1133 OE2 GLU A 67 14.864 7.143 11.623 1.00 0.00 O ATOM 0 H GLU A 67 11.844 2.882 11.922 1.00 0.00 H new ATOM 0 HA GLU A 67 10.607 5.450 12.080 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.835 4.326 10.336 1.00 0.00 H new ATOM 0 HB3 GLU A 67 12.357 6.012 10.337 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.842 6.090 12.829 1.00 0.00 H new ATOM 0 HG3 GLU A 67 13.444 4.448 12.725 1.00 0.00 H new ATOM 1140 N LEU A 68 9.306 5.806 9.951 1.00 0.00 N ATOM 1141 CA LEU A 68 8.310 5.938 8.884 1.00 0.00 C ATOM 1142 C LEU A 68 8.988 6.121 7.516 1.00 0.00 C ATOM 1143 O LEU A 68 9.647 7.132 7.264 1.00 0.00 O ATOM 1144 CB LEU A 68 7.375 7.107 9.245 1.00 0.00 C ATOM 1145 CG LEU A 68 6.177 7.327 8.303 1.00 0.00 C ATOM 1146 CD1 LEU A 68 5.236 6.124 8.225 1.00 0.00 C ATOM 1147 CD2 LEU A 68 5.359 8.515 8.815 1.00 0.00 C ATOM 0 H LEU A 68 9.390 6.642 10.530 1.00 0.00 H new ATOM 0 HA LEU A 68 7.717 5.027 8.800 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.994 6.944 10.253 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.965 8.023 9.271 1.00 0.00 H new ATOM 0 HG LEU A 68 6.590 7.497 7.309 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.415 6.348 7.544 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.785 5.256 7.859 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.837 5.909 9.216 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.507 8.681 8.156 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.002 8.304 9.823 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.985 9.407 8.831 1.00 0.00 H new ATOM 1159 N PHE A 69 8.804 5.147 6.625 1.00 0.00 N ATOM 1160 CA PHE A 69 9.296 5.170 5.246 1.00 0.00 C ATOM 1161 C PHE A 69 8.378 5.989 4.329 1.00 0.00 C ATOM 1162 O PHE A 69 8.851 6.876 3.615 1.00 0.00 O ATOM 1163 CB PHE A 69 9.453 3.723 4.755 1.00 0.00 C ATOM 1164 CG PHE A 69 9.687 3.581 3.261 1.00 0.00 C ATOM 1165 CD1 PHE A 69 8.790 2.836 2.474 1.00 0.00 C ATOM 1166 CD2 PHE A 69 10.797 4.198 2.653 1.00 0.00 C ATOM 1167 CE1 PHE A 69 9.002 2.700 1.092 1.00 0.00 C ATOM 1168 CE2 PHE A 69 11.001 4.075 1.268 1.00 0.00 C ATOM 1169 CZ PHE A 69 10.106 3.321 0.484 1.00 0.00 C ATOM 0 H PHE A 69 8.293 4.293 6.849 1.00 0.00 H new ATOM 0 HA PHE A 69 10.267 5.665 5.217 1.00 0.00 H new ATOM 0 HB2 PHE A 69 10.287 3.263 5.285 1.00 0.00 H new ATOM 0 HB3 PHE A 69 8.557 3.164 5.023 1.00 0.00 H new ATOM 0 HD1 PHE A 69 7.934 2.366 2.935 1.00 0.00 H new ATOM 0 HD2 PHE A 69 11.493 4.767 3.252 1.00 0.00 H new ATOM 0 HE1 PHE A 69 8.315 2.117 0.496 1.00 0.00 H new ATOM 0 HE2 PHE A 69 11.847 4.560 0.803 1.00 0.00 H new ATOM 0 HZ PHE A 69 10.268 3.221 -0.579 1.00 0.00 H new ATOM 1179 N ALA A 70 7.069 5.711 4.365 1.00 0.00 N ATOM 1180 CA ALA A 70 6.064 6.411 3.566 1.00 0.00 C ATOM 1181 C ALA A 70 4.650 6.315 4.167 1.00 0.00 C ATOM 1182 O ALA A 70 4.369 5.447 5.000 1.00 0.00 O ATOM 1183 CB ALA A 70 6.070 5.841 2.143 1.00 0.00 C ATOM 0 H ALA A 70 6.676 4.982 4.960 1.00 0.00 H new ATOM 0 HA ALA A 70 6.327 7.469 3.556 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.323 6.358 1.541 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.055 5.982 1.699 1.00 0.00 H new ATOM 0 HB3 ALA A 70 5.836 4.777 2.176 1.00 0.00 H new ATOM 1189 N GLN A 71 3.763 7.198 3.696 1.00 0.00 N ATOM 1190 CA GLN A 71 2.386 7.353 4.168 1.00 0.00 C ATOM 1191 C GLN A 71 1.432 7.667 3.000 1.00 0.00 C ATOM 1192 O GLN A 71 1.638 8.652 2.295 1.00 0.00 O ATOM 1193 CB GLN A 71 2.322 8.428 5.281 1.00 0.00 C ATOM 1194 CG GLN A 71 2.954 9.812 4.983 1.00 0.00 C ATOM 1195 CD GLN A 71 4.483 9.888 5.096 1.00 0.00 C ATOM 1196 OE1 GLN A 71 5.164 9.002 5.586 1.00 0.00 O ATOM 1197 NE2 GLN A 71 5.108 10.963 4.673 1.00 0.00 N ATOM 0 H GLN A 71 3.995 7.849 2.946 1.00 0.00 H new ATOM 0 HA GLN A 71 2.052 6.409 4.599 1.00 0.00 H new ATOM 0 HB2 GLN A 71 1.274 8.586 5.535 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.808 8.022 6.168 1.00 0.00 H new ATOM 0 HG2 GLN A 71 2.668 10.111 3.975 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.522 10.542 5.667 1.00 0.00 H new ATOM 0 HE21 GLN A 71 4.579 11.729 4.256 1.00 0.00 H new ATOM 0 HE22 GLN A 71 6.122 11.031 4.761 1.00 0.00 H new ATOM 1206 N ALA A 72 0.385 6.861 2.787 1.00 0.00 N ATOM 1207 CA ALA A 72 -0.657 7.111 1.780 1.00 0.00 C ATOM 1208 C ALA A 72 -2.049 7.280 2.427 1.00 0.00 C ATOM 1209 O ALA A 72 -2.552 6.316 3.014 1.00 0.00 O ATOM 1210 CB ALA A 72 -0.694 5.973 0.752 1.00 0.00 C ATOM 0 H ALA A 72 0.234 6.003 3.317 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.405 8.044 1.276 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.471 6.174 0.014 1.00 0.00 H new ATOM 0 HB2 ALA A 72 0.272 5.903 0.252 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.910 5.032 1.258 1.00 0.00 H new ATOM 1216 N PRO A 73 -2.711 8.449 2.307 1.00 0.00 N ATOM 1217 CA PRO A 73 -4.095 8.630 2.746 1.00 0.00 C ATOM 1218 C PRO A 73 -5.084 8.042 1.725 1.00 0.00 C ATOM 1219 O PRO A 73 -5.063 8.409 0.547 1.00 0.00 O ATOM 1220 CB PRO A 73 -4.262 10.143 2.918 1.00 0.00 C ATOM 1221 CG PRO A 73 -3.297 10.732 1.888 1.00 0.00 C ATOM 1222 CD PRO A 73 -2.153 9.717 1.848 1.00 0.00 C ATOM 0 HA PRO A 73 -4.307 8.104 3.677 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.289 10.457 2.730 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -4.011 10.461 3.930 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.770 10.842 0.912 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.946 11.720 2.186 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.753 9.622 0.839 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -1.330 10.034 2.489 1.00 0.00 H new ATOM 1230 N VAL A 74 -5.961 7.145 2.182 1.00 0.00 N ATOM 1231 CA VAL A 74 -7.021 6.470 1.414 1.00 0.00 C ATOM 1232 C VAL A 74 -8.387 6.946 1.926 1.00 0.00 C ATOM 1233 O VAL A 74 -8.720 6.740 3.090 1.00 0.00 O ATOM 1234 CB VAL A 74 -6.912 4.926 1.533 1.00 0.00 C ATOM 1235 CG1 VAL A 74 -7.965 4.226 0.668 1.00 0.00 C ATOM 1236 CG2 VAL A 74 -5.536 4.333 1.196 1.00 0.00 C ATOM 0 H VAL A 74 -5.953 6.849 3.158 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.908 6.726 0.360 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.083 4.739 2.593 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.863 3.146 0.773 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.961 4.529 0.991 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -7.822 4.504 -0.376 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.569 3.250 1.311 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.275 4.581 0.167 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.786 4.747 1.870 1.00 0.00 H new ATOM 1246 N GLU A 75 -9.201 7.548 1.056 1.00 0.00 N ATOM 1247 CA GLU A 75 -10.555 8.057 1.371 1.00 0.00 C ATOM 1248 C GLU A 75 -11.669 7.275 0.653 1.00 0.00 C ATOM 1249 O GLU A 75 -12.855 7.541 0.865 1.00 0.00 O ATOM 1250 CB GLU A 75 -10.638 9.553 1.010 1.00 0.00 C ATOM 1251 CG GLU A 75 -9.754 10.443 1.891 1.00 0.00 C ATOM 1252 CD GLU A 75 -9.840 11.914 1.439 1.00 0.00 C ATOM 1253 OE1 GLU A 75 -10.799 12.621 1.831 1.00 0.00 O ATOM 1254 OE2 GLU A 75 -8.946 12.376 0.687 1.00 0.00 O ATOM 0 H GLU A 75 -8.937 7.703 0.083 1.00 0.00 H new ATOM 0 HA GLU A 75 -10.715 7.918 2.440 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -10.348 9.684 -0.032 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -11.673 9.883 1.097 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -10.067 10.358 2.932 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -8.720 10.102 1.840 1.00 0.00 H new ATOM 1261 N GLN A 76 -11.294 6.313 -0.195 1.00 0.00 N ATOM 1262 CA GLN A 76 -12.175 5.393 -0.902 1.00 0.00 C ATOM 1263 C GLN A 76 -11.407 4.127 -1.316 1.00 0.00 C ATOM 1264 O GLN A 76 -10.245 4.214 -1.723 1.00 0.00 O ATOM 1265 CB GLN A 76 -12.834 6.087 -2.115 1.00 0.00 C ATOM 1266 CG GLN A 76 -11.949 6.368 -3.348 1.00 0.00 C ATOM 1267 CD GLN A 76 -10.776 7.317 -3.100 1.00 0.00 C ATOM 1268 OE1 GLN A 76 -10.879 8.529 -3.230 1.00 0.00 O ATOM 1269 NE2 GLN A 76 -9.610 6.810 -2.751 1.00 0.00 N ATOM 0 H GLN A 76 -10.311 6.150 -0.415 1.00 0.00 H new ATOM 0 HA GLN A 76 -12.977 5.089 -0.229 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -13.674 5.472 -2.438 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -13.247 7.037 -1.775 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -11.558 5.421 -3.719 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -12.574 6.786 -4.137 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -9.506 5.802 -2.638 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -8.812 7.426 -2.594 1.00 0.00 H new ATOM 1278 N TYR A 77 -12.066 2.969 -1.264 1.00 0.00 N ATOM 1279 CA TYR A 77 -11.541 1.688 -1.746 1.00 0.00 C ATOM 1280 C TYR A 77 -12.530 0.981 -2.696 1.00 0.00 C ATOM 1281 O TYR A 77 -13.718 0.886 -2.357 1.00 0.00 O ATOM 1282 CB TYR A 77 -11.184 0.781 -0.562 1.00 0.00 C ATOM 1283 CG TYR A 77 -10.372 -0.429 -0.966 1.00 0.00 C ATOM 1284 CD1 TYR A 77 -10.967 -1.619 -1.429 1.00 0.00 C ATOM 1285 CD2 TYR A 77 -8.979 -0.309 -0.946 1.00 0.00 C ATOM 1286 CE1 TYR A 77 -10.152 -2.661 -1.915 1.00 0.00 C ATOM 1287 CE2 TYR A 77 -8.160 -1.341 -1.426 1.00 0.00 C ATOM 1288 CZ TYR A 77 -8.745 -2.522 -1.923 1.00 0.00 C ATOM 1289 OH TYR A 77 -7.956 -3.507 -2.429 1.00 0.00 O ATOM 0 H TYR A 77 -13.006 2.893 -0.875 1.00 0.00 H new ATOM 0 HA TYR A 77 -10.637 1.895 -2.318 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -10.624 1.358 0.174 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -12.102 0.450 -0.076 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -12.041 -1.732 -1.412 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.528 0.591 -0.555 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -10.604 -3.570 -2.283 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -7.086 -1.231 -1.415 1.00 0.00 H new ATOM 0 HH TYR A 77 -7.015 -3.243 -2.355 1.00 0.00 H new ATOM 1299 N PRO A 78 -12.070 0.452 -3.847 1.00 0.00 N ATOM 1300 CA PRO A 78 -10.782 0.746 -4.492 1.00 0.00 C ATOM 1301 C PRO A 78 -10.650 2.231 -4.883 1.00 0.00 C ATOM 1302 O PRO A 78 -11.649 2.946 -4.984 1.00 0.00 O ATOM 1303 CB PRO A 78 -10.719 -0.159 -5.730 1.00 0.00 C ATOM 1304 CG PRO A 78 -11.708 -1.278 -5.410 1.00 0.00 C ATOM 1305 CD PRO A 78 -12.791 -0.540 -4.625 1.00 0.00 C ATOM 0 HA PRO A 78 -9.956 0.554 -3.807 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -11.002 0.379 -6.635 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -9.713 -0.547 -5.892 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -12.105 -1.741 -6.314 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -11.248 -2.071 -4.821 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -13.514 -0.071 -5.292 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -13.347 -1.221 -3.981 1.00 0.00 H new ATOM 1313 N GLY A 79 -9.423 2.704 -5.112 1.00 0.00 N ATOM 1314 CA GLY A 79 -9.161 4.087 -5.534 1.00 0.00 C ATOM 1315 C GLY A 79 -7.759 4.315 -6.105 1.00 0.00 C ATOM 1316 O GLY A 79 -7.080 3.380 -6.526 1.00 0.00 O ATOM 0 H GLY A 79 -8.579 2.140 -5.011 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.898 4.371 -6.286 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.305 4.749 -4.680 1.00 0.00 H new ATOM 1320 N ILE A 80 -7.310 5.574 -6.106 1.00 0.00 N ATOM 1321 CA ILE A 80 -5.945 5.959 -6.513 1.00 0.00 C ATOM 1322 C ILE A 80 -4.941 5.768 -5.376 1.00 0.00 C ATOM 1323 O ILE A 80 -3.762 5.511 -5.617 1.00 0.00 O ATOM 1324 CB ILE A 80 -5.943 7.408 -7.058 1.00 0.00 C ATOM 1325 CG1 ILE A 80 -4.602 7.861 -7.675 1.00 0.00 C ATOM 1326 CG2 ILE A 80 -6.324 8.456 -5.994 1.00 0.00 C ATOM 1327 CD1 ILE A 80 -4.062 6.947 -8.779 1.00 0.00 C ATOM 0 H ILE A 80 -7.886 6.366 -5.822 1.00 0.00 H new ATOM 0 HA ILE A 80 -5.623 5.297 -7.317 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.699 7.362 -7.842 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.726 8.865 -8.082 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -3.857 7.928 -6.882 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.304 9.451 -6.439 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.326 8.246 -5.619 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.612 8.413 -5.170 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.118 7.345 -9.152 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.901 5.947 -8.377 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.782 6.898 -9.595 1.00 0.00 H new ATOM 1339 N ALA A 81 -5.405 5.863 -4.124 1.00 0.00 N ATOM 1340 CA ALA A 81 -4.535 5.734 -2.971 1.00 0.00 C ATOM 1341 C ALA A 81 -4.095 4.296 -2.715 1.00 0.00 C ATOM 1342 O ALA A 81 -3.006 4.112 -2.188 1.00 0.00 O ATOM 1343 CB ALA A 81 -5.202 6.315 -1.741 1.00 0.00 C ATOM 0 H ALA A 81 -6.384 6.030 -3.893 1.00 0.00 H new ATOM 0 HA ALA A 81 -3.630 6.300 -3.193 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -4.537 6.211 -0.883 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -5.417 7.371 -1.908 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -6.132 5.782 -1.546 1.00 0.00 H new ATOM 1349 N VAL A 82 -4.906 3.298 -3.079 1.00 0.00 N ATOM 1350 CA VAL A 82 -4.560 1.879 -3.009 1.00 0.00 C ATOM 1351 C VAL A 82 -5.252 1.114 -4.153 1.00 0.00 C ATOM 1352 O VAL A 82 -6.453 1.263 -4.387 1.00 0.00 O ATOM 1353 CB VAL A 82 -4.923 1.347 -1.619 1.00 0.00 C ATOM 1354 CG1 VAL A 82 -6.374 1.622 -1.270 1.00 0.00 C ATOM 1355 CG2 VAL A 82 -4.542 -0.129 -1.503 1.00 0.00 C ATOM 0 H VAL A 82 -5.846 3.461 -3.440 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.488 1.732 -3.145 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.341 1.889 -0.874 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.590 1.229 -0.277 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.554 2.697 -1.282 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -7.022 1.138 -2.001 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.805 -0.496 -0.511 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.080 -0.704 -2.257 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.469 -0.241 -1.659 1.00 0.00 H new ATOM 1365 N GLU A 83 -4.485 0.306 -4.880 1.00 0.00 N ATOM 1366 CA GLU A 83 -4.913 -0.419 -6.084 1.00 0.00 C ATOM 1367 C GLU A 83 -4.251 -1.798 -6.189 1.00 0.00 C ATOM 1368 O GLU A 83 -3.118 -1.988 -5.745 1.00 0.00 O ATOM 1369 CB GLU A 83 -4.583 0.432 -7.332 1.00 0.00 C ATOM 1370 CG GLU A 83 -5.783 0.651 -8.258 1.00 0.00 C ATOM 1371 CD GLU A 83 -6.190 -0.632 -9.002 1.00 0.00 C ATOM 1372 OE1 GLU A 83 -6.910 -1.470 -8.406 1.00 0.00 O ATOM 1373 OE2 GLU A 83 -5.779 -0.812 -10.172 1.00 0.00 O ATOM 0 H GLU A 83 -3.509 0.128 -4.641 1.00 0.00 H new ATOM 0 HA GLU A 83 -5.988 -0.585 -6.020 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -4.201 1.401 -7.010 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -3.785 -0.055 -7.893 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -6.629 1.013 -7.673 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -5.542 1.428 -8.984 1.00 0.00 H new ATOM 1380 N THR A 84 -4.923 -2.750 -6.838 1.00 0.00 N ATOM 1381 CA THR A 84 -4.375 -4.075 -7.151 1.00 0.00 C ATOM 1382 C THR A 84 -4.083 -4.164 -8.641 1.00 0.00 C ATOM 1383 O THR A 84 -4.840 -4.738 -9.418 1.00 0.00 O ATOM 1384 CB THR A 84 -5.294 -5.219 -6.733 1.00 0.00 C ATOM 1385 OG1 THR A 84 -5.868 -5.015 -5.457 1.00 0.00 O ATOM 1386 CG2 THR A 84 -4.525 -6.530 -6.682 1.00 0.00 C ATOM 0 H THR A 84 -5.880 -2.622 -7.167 1.00 0.00 H new ATOM 0 HA THR A 84 -3.457 -4.186 -6.574 1.00 0.00 H new ATOM 0 HB THR A 84 -6.087 -5.255 -7.480 1.00 0.00 H new ATOM 0 HG1 THR A 84 -5.219 -5.258 -4.764 1.00 0.00 H new ATOM 0 HG21 THR A 84 -5.197 -7.334 -6.382 1.00 0.00 H new ATOM 0 HG22 THR A 84 -4.114 -6.749 -7.667 1.00 0.00 H new ATOM 0 HG23 THR A 84 -3.713 -6.447 -5.960 1.00 0.00 H new ATOM 1394 N VAL A 85 -2.940 -3.584 -8.996 1.00 0.00 N ATOM 1395 CA VAL A 85 -2.098 -3.839 -10.184 1.00 0.00 C ATOM 1396 C VAL A 85 -2.819 -4.179 -11.497 1.00 0.00 C ATOM 1397 O VAL A 85 -2.869 -3.340 -12.397 1.00 0.00 O ATOM 1398 CB VAL A 85 -0.990 -4.856 -9.848 1.00 0.00 C ATOM 1399 CG1 VAL A 85 0.135 -4.134 -9.106 1.00 0.00 C ATOM 1400 CG2 VAL A 85 -1.431 -6.033 -8.971 1.00 0.00 C ATOM 0 H VAL A 85 -2.533 -2.854 -8.411 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.659 -2.868 -10.413 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.681 -5.272 -10.807 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.925 -4.844 -8.863 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.539 -3.344 -9.738 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.256 -3.698 -8.187 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.581 -6.691 -8.791 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.806 -5.657 -8.019 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.220 -6.589 -9.478 1.00 0.00 H new ATOM 1410 N THR A 86 -3.351 -5.397 -11.604 1.00 0.00 N ATOM 1411 CA THR A 86 -4.462 -5.769 -12.497 1.00 0.00 C ATOM 1412 C THR A 86 -5.448 -6.709 -11.803 1.00 0.00 C ATOM 1413 O THR A 86 -6.657 -6.484 -11.878 1.00 0.00 O ATOM 1414 CB THR A 86 -3.999 -6.461 -13.783 1.00 0.00 C ATOM 1415 OG1 THR A 86 -3.009 -7.424 -13.512 1.00 0.00 O ATOM 1416 CG2 THR A 86 -3.403 -5.450 -14.744 1.00 0.00 C ATOM 0 H THR A 86 -3.011 -6.185 -11.053 1.00 0.00 H new ATOM 0 HA THR A 86 -4.940 -4.823 -12.753 1.00 0.00 H new ATOM 0 HB THR A 86 -4.874 -6.939 -14.222 1.00 0.00 H new ATOM 0 HG1 THR A 86 -2.732 -7.852 -14.349 1.00 0.00 H new ATOM 0 HG21 THR A 86 -3.079 -5.958 -15.652 1.00 0.00 H new ATOM 0 HG22 THR A 86 -4.154 -4.701 -14.995 1.00 0.00 H new ATOM 0 HG23 THR A 86 -2.547 -4.963 -14.276 1.00 0.00 H new ATOM 1424 N ASP A 87 -4.947 -7.749 -11.123 1.00 0.00 N ATOM 1425 CA ASP A 87 -5.795 -8.701 -10.381 1.00 0.00 C ATOM 1426 C ASP A 87 -5.100 -9.428 -9.218 1.00 0.00 C ATOM 1427 O ASP A 87 -5.591 -9.359 -8.091 1.00 0.00 O ATOM 1428 CB ASP A 87 -6.357 -9.757 -11.334 1.00 0.00 C ATOM 1429 CG ASP A 87 -7.590 -10.445 -10.727 1.00 0.00 C ATOM 1430 OD1 ASP A 87 -8.657 -9.791 -10.647 1.00 0.00 O ATOM 1431 OD2 ASP A 87 -7.500 -11.641 -10.361 1.00 0.00 O ATOM 0 H ASP A 87 -3.950 -7.956 -11.070 1.00 0.00 H new ATOM 0 HA ASP A 87 -6.579 -8.085 -9.941 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -6.626 -9.291 -12.282 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.591 -10.501 -11.551 1.00 0.00 H new ATOM 1436 N SER A 88 -3.969 -10.113 -9.465 1.00 0.00 N ATOM 1437 CA SER A 88 -3.197 -10.748 -8.381 1.00 0.00 C ATOM 1438 C SER A 88 -2.825 -9.763 -7.291 1.00 0.00 C ATOM 1439 O SER A 88 -2.127 -8.770 -7.500 1.00 0.00 O ATOM 1440 CB SER A 88 -1.889 -11.426 -8.778 1.00 0.00 C ATOM 1441 OG SER A 88 -1.361 -12.138 -7.686 1.00 0.00 O ATOM 0 H SER A 88 -3.572 -10.241 -10.396 1.00 0.00 H new ATOM 0 HA SER A 88 -3.896 -11.516 -8.048 1.00 0.00 H new ATOM 0 HB2 SER A 88 -2.061 -12.103 -9.614 1.00 0.00 H new ATOM 0 HB3 SER A 88 -1.171 -10.679 -9.116 1.00 0.00 H new ATOM 0 HG SER A 88 -1.139 -13.050 -7.967 1.00 0.00 H new ATOM 1447 N SER A 89 -3.231 -10.121 -6.089 1.00 0.00 N ATOM 1448 CA SER A 89 -2.981 -9.366 -4.882 1.00 0.00 C ATOM 1449 C SER A 89 -1.697 -9.791 -4.167 1.00 0.00 C ATOM 1450 O SER A 89 -1.433 -9.343 -3.060 1.00 0.00 O ATOM 1451 CB SER A 89 -4.261 -9.399 -4.074 1.00 0.00 C ATOM 1452 OG SER A 89 -4.615 -10.726 -3.700 1.00 0.00 O ATOM 0 H SER A 89 -3.762 -10.976 -5.922 1.00 0.00 H new ATOM 0 HA SER A 89 -2.753 -8.321 -5.093 1.00 0.00 H new ATOM 0 HB2 SER A 89 -4.142 -8.788 -3.179 1.00 0.00 H new ATOM 0 HB3 SER A 89 -5.070 -8.957 -4.656 1.00 0.00 H new ATOM 0 HG SER A 89 -5.445 -10.709 -3.179 1.00 0.00 H new ATOM 1458 N ARG A 90 -0.835 -10.573 -4.845 1.00 0.00 N ATOM 1459 CA ARG A 90 0.607 -10.695 -4.545 1.00 0.00 C ATOM 1460 C ARG A 90 1.291 -9.318 -4.503 1.00 0.00 C ATOM 1461 O ARG A 90 2.243 -9.118 -3.743 1.00 0.00 O ATOM 1462 CB ARG A 90 1.220 -11.594 -5.637 1.00 0.00 C ATOM 1463 CG ARG A 90 2.694 -11.983 -5.421 1.00 0.00 C ATOM 1464 CD ARG A 90 3.238 -12.880 -6.551 1.00 0.00 C ATOM 1465 NE ARG A 90 2.513 -14.168 -6.634 1.00 0.00 N ATOM 1466 CZ ARG A 90 1.512 -14.438 -7.454 1.00 0.00 C ATOM 1467 NH1 ARG A 90 0.672 -15.394 -7.202 1.00 0.00 N ATOM 1468 NH2 ARG A 90 1.263 -13.769 -8.537 1.00 0.00 N ATOM 0 H ARG A 90 -1.127 -11.150 -5.634 1.00 0.00 H new ATOM 0 HA ARG A 90 0.756 -11.135 -3.559 1.00 0.00 H new ATOM 0 HB2 ARG A 90 0.628 -12.506 -5.708 1.00 0.00 H new ATOM 0 HB3 ARG A 90 1.133 -11.083 -6.596 1.00 0.00 H new ATOM 0 HG2 ARG A 90 3.299 -11.079 -5.355 1.00 0.00 H new ATOM 0 HG3 ARG A 90 2.794 -12.503 -4.468 1.00 0.00 H new ATOM 0 HD2 ARG A 90 3.155 -12.355 -7.503 1.00 0.00 H new ATOM 0 HD3 ARG A 90 4.298 -13.071 -6.384 1.00 0.00 H new ATOM 0 HE ARG A 90 2.812 -14.912 -6.003 1.00 0.00 H new ATOM 0 HH11 ARG A 90 0.777 -15.955 -6.357 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -0.093 -15.584 -7.849 1.00 0.00 H new ATOM 0 HH21 ARG A 90 1.857 -12.982 -8.798 1.00 0.00 H new ATOM 0 HH22 ARG A 90 0.473 -14.030 -9.127 1.00 0.00 H new ATOM 1482 N TYR A 91 0.763 -8.372 -5.284 1.00 0.00 N ATOM 1483 CA TYR A 91 1.207 -6.983 -5.379 1.00 0.00 C ATOM 1484 C TYR A 91 0.069 -5.976 -5.204 1.00 0.00 C ATOM 1485 O TYR A 91 -1.103 -6.299 -5.398 1.00 0.00 O ATOM 1486 CB TYR A 91 1.840 -6.734 -6.752 1.00 0.00 C ATOM 1487 CG TYR A 91 2.740 -7.835 -7.244 1.00 0.00 C ATOM 1488 CD1 TYR A 91 3.955 -8.087 -6.591 1.00 0.00 C ATOM 1489 CD2 TYR A 91 2.331 -8.622 -8.334 1.00 0.00 C ATOM 1490 CE1 TYR A 91 4.784 -9.125 -7.052 1.00 0.00 C ATOM 1491 CE2 TYR A 91 3.159 -9.648 -8.815 1.00 0.00 C ATOM 1492 CZ TYR A 91 4.391 -9.902 -8.166 1.00 0.00 C ATOM 1493 OH TYR A 91 5.210 -10.895 -8.601 1.00 0.00 O ATOM 0 H TYR A 91 -0.027 -8.567 -5.899 1.00 0.00 H new ATOM 0 HA TYR A 91 1.923 -6.837 -4.570 1.00 0.00 H new ATOM 0 HB2 TYR A 91 1.044 -6.582 -7.481 1.00 0.00 H new ATOM 0 HB3 TYR A 91 2.413 -5.808 -6.709 1.00 0.00 H new ATOM 0 HD1 TYR A 91 4.251 -7.489 -5.742 1.00 0.00 H new ATOM 0 HD2 TYR A 91 1.376 -8.437 -8.803 1.00 0.00 H new ATOM 0 HE1 TYR A 91 5.721 -9.329 -6.555 1.00 0.00 H new ATOM 0 HE2 TYR A 91 2.860 -10.236 -9.670 1.00 0.00 H new ATOM 0 HH TYR A 91 4.803 -11.340 -9.373 1.00 0.00 H new ATOM 1503 N PHE A 92 0.448 -4.729 -4.936 1.00 0.00 N ATOM 1504 CA PHE A 92 -0.428 -3.554 -4.922 1.00 0.00 C ATOM 1505 C PHE A 92 0.314 -2.333 -5.476 1.00 0.00 C ATOM 1506 O PHE A 92 1.517 -2.385 -5.730 1.00 0.00 O ATOM 1507 CB PHE A 92 -0.914 -3.291 -3.487 1.00 0.00 C ATOM 1508 CG PHE A 92 -1.639 -4.469 -2.874 1.00 0.00 C ATOM 1509 CD1 PHE A 92 -2.943 -4.791 -3.294 1.00 0.00 C ATOM 1510 CD2 PHE A 92 -0.987 -5.275 -1.924 1.00 0.00 C ATOM 1511 CE1 PHE A 92 -3.587 -5.928 -2.778 1.00 0.00 C ATOM 1512 CE2 PHE A 92 -1.644 -6.392 -1.385 1.00 0.00 C ATOM 1513 CZ PHE A 92 -2.937 -6.729 -1.822 1.00 0.00 C ATOM 0 H PHE A 92 1.416 -4.497 -4.713 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.294 -3.742 -5.557 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -0.058 -3.035 -2.862 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -1.577 -2.426 -3.488 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -3.449 -4.164 -4.013 1.00 0.00 H new ATOM 0 HD2 PHE A 92 0.018 -5.035 -1.610 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -4.580 -6.187 -3.115 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -1.155 -6.994 -0.633 1.00 0.00 H new ATOM 0 HZ PHE A 92 -3.431 -7.603 -1.424 1.00 0.00 H new ATOM 1523 N VAL A 93 -0.391 -1.215 -5.621 1.00 0.00 N ATOM 1524 CA VAL A 93 0.187 0.127 -5.762 1.00 0.00 C ATOM 1525 C VAL A 93 -0.524 1.062 -4.793 1.00 0.00 C ATOM 1526 O VAL A 93 -1.745 0.982 -4.664 1.00 0.00 O ATOM 1527 CB VAL A 93 0.080 0.653 -7.207 1.00 0.00 C ATOM 1528 CG1 VAL A 93 0.700 2.049 -7.332 1.00 0.00 C ATOM 1529 CG2 VAL A 93 0.792 -0.276 -8.197 1.00 0.00 C ATOM 0 H VAL A 93 -1.411 -1.213 -5.645 1.00 0.00 H new ATOM 0 HA VAL A 93 1.250 0.080 -5.528 1.00 0.00 H new ATOM 0 HB VAL A 93 -0.983 0.694 -7.445 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.611 2.396 -8.361 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.178 2.740 -6.670 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.753 2.006 -7.054 1.00 0.00 H new ATOM 0 HG21 VAL A 93 0.696 0.125 -9.206 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.847 -0.348 -7.934 1.00 0.00 H new ATOM 0 HG23 VAL A 93 0.339 -1.267 -8.156 1.00 0.00 H new ATOM 1539 N ILE A 94 0.211 1.959 -4.130 1.00 0.00 N ATOM 1540 CA ILE A 94 -0.367 3.041 -3.325 1.00 0.00 C ATOM 1541 C ILE A 94 0.200 4.409 -3.730 1.00 0.00 C ATOM 1542 O ILE A 94 1.347 4.521 -4.172 1.00 0.00 O ATOM 1543 CB ILE A 94 -0.263 2.777 -1.797 1.00 0.00 C ATOM 1544 CG1 ILE A 94 1.200 2.819 -1.320 1.00 0.00 C ATOM 1545 CG2 ILE A 94 -0.890 1.426 -1.414 1.00 0.00 C ATOM 1546 CD1 ILE A 94 1.346 2.734 0.201 1.00 0.00 C ATOM 0 H ILE A 94 1.231 1.956 -4.136 1.00 0.00 H new ATOM 0 HA ILE A 94 -1.434 3.062 -3.545 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.819 3.573 -1.301 1.00 0.00 H new ATOM 0 HG12 ILE A 94 1.747 1.994 -1.777 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.663 3.741 -1.671 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.799 1.275 -0.338 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -1.944 1.422 -1.693 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -0.372 0.623 -1.938 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.402 2.769 0.468 1.00 0.00 H new ATOM 0 HD12 ILE A 94 0.827 3.573 0.664 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.913 1.799 0.556 1.00 0.00 H new ATOM 1558 N ARG A 95 -0.606 5.460 -3.555 1.00 0.00 N ATOM 1559 CA ARG A 95 -0.216 6.865 -3.757 1.00 0.00 C ATOM 1560 C ARG A 95 0.170 7.463 -2.408 1.00 0.00 C ATOM 1561 O ARG A 95 -0.705 7.768 -1.601 1.00 0.00 O ATOM 1562 CB ARG A 95 -1.358 7.602 -4.487 1.00 0.00 C ATOM 1563 CG ARG A 95 -1.099 9.081 -4.811 1.00 0.00 C ATOM 1564 CD ARG A 95 -1.484 10.032 -3.671 1.00 0.00 C ATOM 1565 NE ARG A 95 -2.947 10.166 -3.486 1.00 0.00 N ATOM 1566 CZ ARG A 95 -3.668 9.776 -2.447 1.00 0.00 C ATOM 1567 NH1 ARG A 95 -4.919 10.114 -2.338 1.00 0.00 N ATOM 1568 NH2 ARG A 95 -3.193 9.039 -1.487 1.00 0.00 N ATOM 0 H ARG A 95 -1.577 5.358 -3.260 1.00 0.00 H new ATOM 0 HA ARG A 95 0.661 6.964 -4.397 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -1.567 7.077 -5.419 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -2.258 7.536 -3.875 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -0.043 9.214 -5.044 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -1.660 9.353 -5.705 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -1.039 9.673 -2.743 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -1.059 11.016 -3.869 1.00 0.00 H new ATOM 0 HE ARG A 95 -3.459 10.611 -4.248 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -5.357 10.687 -3.059 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -5.462 9.806 -1.531 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -2.220 8.733 -1.512 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -3.793 8.767 -0.709 1.00 0.00 H new ATOM 1582 N ILE A 96 1.461 7.626 -2.156 1.00 0.00 N ATOM 1583 CA ILE A 96 2.014 8.187 -0.915 1.00 0.00 C ATOM 1584 C ILE A 96 2.215 9.701 -1.012 1.00 0.00 C ATOM 1585 O ILE A 96 2.466 10.234 -2.092 1.00 0.00 O ATOM 1586 CB ILE A 96 3.331 7.482 -0.512 1.00 0.00 C ATOM 1587 CG1 ILE A 96 4.385 7.533 -1.639 1.00 0.00 C ATOM 1588 CG2 ILE A 96 3.036 6.035 -0.093 1.00 0.00 C ATOM 1589 CD1 ILE A 96 5.793 7.168 -1.183 1.00 0.00 C ATOM 0 H ILE A 96 2.183 7.365 -2.828 1.00 0.00 H new ATOM 0 HA ILE A 96 1.279 8.003 -0.131 1.00 0.00 H new ATOM 0 HB ILE A 96 3.757 8.018 0.336 1.00 0.00 H new ATOM 0 HG12 ILE A 96 4.084 6.853 -2.436 1.00 0.00 H new ATOM 0 HG13 ILE A 96 4.400 8.536 -2.064 1.00 0.00 H new ATOM 0 HG21 ILE A 96 3.966 5.541 0.190 1.00 0.00 H new ATOM 0 HG22 ILE A 96 2.352 6.034 0.755 1.00 0.00 H new ATOM 0 HG23 ILE A 96 2.581 5.500 -0.927 1.00 0.00 H new ATOM 0 HD11 ILE A 96 6.476 7.227 -2.030 1.00 0.00 H new ATOM 0 HD12 ILE A 96 6.116 7.863 -0.407 1.00 0.00 H new ATOM 0 HD13 ILE A 96 5.795 6.153 -0.785 1.00 0.00 H new ATOM 1601 N GLN A 97 2.202 10.384 0.130 1.00 0.00 N ATOM 1602 CA GLN A 97 2.966 11.616 0.316 1.00 0.00 C ATOM 1603 C GLN A 97 4.430 11.202 0.568 1.00 0.00 C ATOM 1604 O GLN A 97 4.698 10.323 1.390 1.00 0.00 O ATOM 1605 CB GLN A 97 2.313 12.441 1.438 1.00 0.00 C ATOM 1606 CG GLN A 97 2.777 13.906 1.507 1.00 0.00 C ATOM 1607 CD GLN A 97 4.054 14.136 2.313 1.00 0.00 C ATOM 1608 OE1 GLN A 97 4.651 13.232 2.880 1.00 0.00 O ATOM 1609 NE2 GLN A 97 4.513 15.363 2.423 1.00 0.00 N ATOM 0 H GLN A 97 1.664 10.101 0.949 1.00 0.00 H new ATOM 0 HA GLN A 97 2.964 12.271 -0.556 1.00 0.00 H new ATOM 0 HB2 GLN A 97 1.232 12.422 1.303 1.00 0.00 H new ATOM 0 HB3 GLN A 97 2.524 11.961 2.394 1.00 0.00 H new ATOM 0 HG2 GLN A 97 2.934 14.271 0.492 1.00 0.00 H new ATOM 0 HG3 GLN A 97 1.977 14.506 1.941 1.00 0.00 H new ATOM 0 HE21 GLN A 97 4.030 16.132 1.958 1.00 0.00 H new ATOM 0 HE22 GLN A 97 5.352 15.546 2.973 1.00 0.00 H new ATOM 1682 N SER A 103 4.019 14.231 -3.508 1.00 0.00 N ATOM 1683 CA SER A 103 3.425 12.885 -3.540 1.00 0.00 C ATOM 1684 C SER A 103 4.015 12.018 -4.662 1.00 0.00 C ATOM 1685 O SER A 103 4.504 12.535 -5.670 1.00 0.00 O ATOM 1686 CB SER A 103 1.898 12.977 -3.672 1.00 0.00 C ATOM 1687 OG SER A 103 1.350 13.655 -2.551 1.00 0.00 O ATOM 0 HA SER A 103 3.670 12.398 -2.596 1.00 0.00 H new ATOM 0 HB2 SER A 103 1.636 13.504 -4.589 1.00 0.00 H new ATOM 0 HB3 SER A 103 1.471 11.977 -3.746 1.00 0.00 H new ATOM 0 HG SER A 103 2.022 14.261 -2.174 1.00 0.00 H new ATOM 1693 N ALA A 104 3.975 10.697 -4.479 1.00 0.00 N ATOM 1694 CA ALA A 104 4.533 9.691 -5.388 1.00 0.00 C ATOM 1695 C ALA A 104 3.699 8.399 -5.412 1.00 0.00 C ATOM 1696 O ALA A 104 2.990 8.087 -4.456 1.00 0.00 O ATOM 1697 CB ALA A 104 5.984 9.406 -4.971 1.00 0.00 C ATOM 0 H ALA A 104 3.534 10.280 -3.659 1.00 0.00 H new ATOM 0 HA ALA A 104 4.508 10.085 -6.404 1.00 0.00 H new ATOM 0 HB1 ALA A 104 6.414 8.659 -5.638 1.00 0.00 H new ATOM 0 HB2 ALA A 104 6.567 10.325 -5.031 1.00 0.00 H new ATOM 0 HB3 ALA A 104 6.002 9.032 -3.947 1.00 0.00 H new ATOM 1703 N PHE A 105 3.810 7.617 -6.487 1.00 0.00 N ATOM 1704 CA PHE A 105 3.255 6.262 -6.560 1.00 0.00 C ATOM 1705 C PHE A 105 4.337 5.219 -6.258 1.00 0.00 C ATOM 1706 O PHE A 105 5.415 5.245 -6.856 1.00 0.00 O ATOM 1707 CB PHE A 105 2.599 6.031 -7.927 1.00 0.00 C ATOM 1708 CG PHE A 105 1.588 7.099 -8.291 1.00 0.00 C ATOM 1709 CD1 PHE A 105 0.296 7.074 -7.734 1.00 0.00 C ATOM 1710 CD2 PHE A 105 1.962 8.161 -9.137 1.00 0.00 C ATOM 1711 CE1 PHE A 105 -0.622 8.089 -8.049 1.00 0.00 C ATOM 1712 CE2 PHE A 105 1.053 9.195 -9.419 1.00 0.00 C ATOM 1713 CZ PHE A 105 -0.248 9.154 -8.885 1.00 0.00 C ATOM 0 H PHE A 105 4.291 7.907 -7.338 1.00 0.00 H new ATOM 0 HA PHE A 105 2.481 6.152 -5.800 1.00 0.00 H new ATOM 0 HB2 PHE A 105 3.373 5.996 -8.693 1.00 0.00 H new ATOM 0 HB3 PHE A 105 2.107 5.058 -7.927 1.00 0.00 H new ATOM 0 HD1 PHE A 105 0.011 6.275 -7.065 1.00 0.00 H new ATOM 0 HD2 PHE A 105 2.951 8.181 -9.571 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -1.623 8.050 -7.645 1.00 0.00 H new ATOM 0 HE2 PHE A 105 1.353 10.022 -10.046 1.00 0.00 H new ATOM 0 HZ PHE A 105 -0.955 9.937 -9.117 1.00 0.00 H new ATOM 1723 N ILE A 106 4.038 4.280 -5.357 1.00 0.00 N ATOM 1724 CA ILE A 106 4.873 3.098 -5.096 1.00 0.00 C ATOM 1725 C ILE A 106 4.108 1.792 -5.306 1.00 0.00 C ATOM 1726 O ILE A 106 3.019 1.591 -4.772 1.00 0.00 O ATOM 1727 CB ILE A 106 5.557 3.116 -3.712 1.00 0.00 C ATOM 1728 CG1 ILE A 106 4.598 3.368 -2.531 1.00 0.00 C ATOM 1729 CG2 ILE A 106 6.696 4.150 -3.716 1.00 0.00 C ATOM 1730 CD1 ILE A 106 5.220 3.000 -1.179 1.00 0.00 C ATOM 0 H ILE A 106 3.198 4.317 -4.779 1.00 0.00 H new ATOM 0 HA ILE A 106 5.670 3.148 -5.837 1.00 0.00 H new ATOM 0 HB ILE A 106 5.952 2.113 -3.550 1.00 0.00 H new ATOM 0 HG12 ILE A 106 4.309 4.419 -2.520 1.00 0.00 H new ATOM 0 HG13 ILE A 106 3.687 2.788 -2.678 1.00 0.00 H new ATOM 0 HG21 ILE A 106 7.179 4.163 -2.739 1.00 0.00 H new ATOM 0 HG22 ILE A 106 7.427 3.883 -4.479 1.00 0.00 H new ATOM 0 HG23 ILE A 106 6.290 5.138 -3.933 1.00 0.00 H new ATOM 0 HD11 ILE A 106 4.502 3.197 -0.383 1.00 0.00 H new ATOM 0 HD12 ILE A 106 5.484 1.943 -1.176 1.00 0.00 H new ATOM 0 HD13 ILE A 106 6.116 3.598 -1.016 1.00 0.00 H new ATOM 1742 N GLY A 107 4.724 0.883 -6.060 1.00 0.00 N ATOM 1743 CA GLY A 107 4.305 -0.513 -6.159 1.00 0.00 C ATOM 1744 C GLY A 107 4.810 -1.299 -4.956 1.00 0.00 C ATOM 1745 O GLY A 107 5.893 -1.018 -4.439 1.00 0.00 O ATOM 0 H GLY A 107 5.542 1.100 -6.629 1.00 0.00 H new ATOM 0 HA2 GLY A 107 3.218 -0.571 -6.211 1.00 0.00 H new ATOM 0 HA3 GLY A 107 4.692 -0.952 -7.078 1.00 0.00 H new ATOM 1749 N ILE A 108 4.033 -2.278 -4.509 1.00 0.00 N ATOM 1750 CA ILE A 108 4.307 -3.092 -3.323 1.00 0.00 C ATOM 1751 C ILE A 108 4.293 -4.574 -3.708 1.00 0.00 C ATOM 1752 O ILE A 108 3.451 -4.985 -4.506 1.00 0.00 O ATOM 1753 CB ILE A 108 3.281 -2.817 -2.195 1.00 0.00 C ATOM 1754 CG1 ILE A 108 3.110 -1.297 -1.958 1.00 0.00 C ATOM 1755 CG2 ILE A 108 3.756 -3.530 -0.924 1.00 0.00 C ATOM 1756 CD1 ILE A 108 2.392 -0.928 -0.658 1.00 0.00 C ATOM 0 H ILE A 108 3.164 -2.539 -4.976 1.00 0.00 H new ATOM 0 HA ILE A 108 5.292 -2.823 -2.941 1.00 0.00 H new ATOM 0 HB ILE A 108 2.303 -3.202 -2.484 1.00 0.00 H new ATOM 0 HG12 ILE A 108 4.095 -0.830 -1.958 1.00 0.00 H new ATOM 0 HG13 ILE A 108 2.556 -0.873 -2.796 1.00 0.00 H new ATOM 0 HG21 ILE A 108 3.046 -3.348 -0.118 1.00 0.00 H new ATOM 0 HG22 ILE A 108 3.825 -4.601 -1.112 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.736 -3.148 -0.637 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.319 0.157 -0.578 1.00 0.00 H new ATOM 0 HD12 ILE A 108 1.391 -1.360 -0.660 1.00 0.00 H new ATOM 0 HD13 ILE A 108 2.954 -1.317 0.191 1.00 0.00 H new ATOM 1768 N GLY A 109 5.159 -5.383 -3.100 1.00 0.00 N ATOM 1769 CA GLY A 109 5.059 -6.841 -3.064 1.00 0.00 C ATOM 1770 C GLY A 109 5.105 -7.394 -1.642 1.00 0.00 C ATOM 1771 O GLY A 109 5.864 -6.923 -0.793 1.00 0.00 O ATOM 0 H GLY A 109 5.976 -5.030 -2.603 1.00 0.00 H new ATOM 0 HA2 GLY A 109 4.129 -7.150 -3.541 1.00 0.00 H new ATOM 0 HA3 GLY A 109 5.874 -7.273 -3.645 1.00 0.00 H new ATOM 1775 N PHE A 110 4.305 -8.424 -1.394 1.00 0.00 N ATOM 1776 CA PHE A 110 4.323 -9.199 -0.150 1.00 0.00 C ATOM 1777 C PHE A 110 5.069 -10.526 -0.315 1.00 0.00 C ATOM 1778 O PHE A 110 5.106 -11.114 -1.401 1.00 0.00 O ATOM 1779 CB PHE A 110 2.886 -9.421 0.316 1.00 0.00 C ATOM 1780 CG PHE A 110 2.291 -8.243 1.060 1.00 0.00 C ATOM 1781 CD1 PHE A 110 2.222 -8.274 2.465 1.00 0.00 C ATOM 1782 CD2 PHE A 110 1.818 -7.115 0.362 1.00 0.00 C ATOM 1783 CE1 PHE A 110 1.671 -7.192 3.171 1.00 0.00 C ATOM 1784 CE2 PHE A 110 1.291 -6.019 1.070 1.00 0.00 C ATOM 1785 CZ PHE A 110 1.221 -6.058 2.473 1.00 0.00 C ATOM 0 H PHE A 110 3.610 -8.754 -2.063 1.00 0.00 H new ATOM 0 HA PHE A 110 4.866 -8.636 0.609 1.00 0.00 H new ATOM 0 HB2 PHE A 110 2.264 -9.642 -0.551 1.00 0.00 H new ATOM 0 HB3 PHE A 110 2.856 -10.298 0.962 1.00 0.00 H new ATOM 0 HD1 PHE A 110 2.594 -9.133 3.003 1.00 0.00 H new ATOM 0 HD2 PHE A 110 1.860 -7.091 -0.717 1.00 0.00 H new ATOM 0 HE1 PHE A 110 1.593 -7.231 4.247 1.00 0.00 H new ATOM 0 HE2 PHE A 110 0.941 -5.148 0.535 1.00 0.00 H new ATOM 0 HZ PHE A 110 0.821 -5.215 3.016 1.00 0.00 H new ATOM 1795 N THR A 111 5.644 -11.016 0.783 1.00 0.00 N ATOM 1796 CA THR A 111 6.399 -12.279 0.826 1.00 0.00 C ATOM 1797 C THR A 111 5.488 -13.513 0.937 1.00 0.00 C ATOM 1798 O THR A 111 5.899 -14.628 0.609 1.00 0.00 O ATOM 1799 CB THR A 111 7.469 -12.197 1.934 1.00 0.00 C ATOM 1800 OG1 THR A 111 8.668 -12.787 1.475 1.00 0.00 O ATOM 1801 CG2 THR A 111 7.104 -12.880 3.256 1.00 0.00 C ATOM 0 H THR A 111 5.601 -10.542 1.685 1.00 0.00 H new ATOM 0 HA THR A 111 6.913 -12.415 -0.125 1.00 0.00 H new ATOM 0 HB THR A 111 7.566 -11.132 2.144 1.00 0.00 H new ATOM 0 HG1 THR A 111 9.349 -12.734 2.178 1.00 0.00 H new ATOM 0 HG21 THR A 111 7.924 -12.763 3.965 1.00 0.00 H new ATOM 0 HG22 THR A 111 6.203 -12.423 3.665 1.00 0.00 H new ATOM 0 HG23 THR A 111 6.925 -13.941 3.080 1.00 0.00 H new ATOM 1809 N ASP A 112 4.225 -13.315 1.339 1.00 0.00 N ATOM 1810 CA ASP A 112 3.159 -14.325 1.351 1.00 0.00 C ATOM 1811 C ASP A 112 1.849 -13.753 0.778 1.00 0.00 C ATOM 1812 O ASP A 112 1.443 -12.644 1.136 1.00 0.00 O ATOM 1813 CB ASP A 112 2.927 -14.836 2.782 1.00 0.00 C ATOM 1814 CG ASP A 112 2.269 -16.223 2.783 1.00 0.00 C ATOM 1815 OD1 ASP A 112 2.944 -17.222 3.131 1.00 0.00 O ATOM 1816 OD2 ASP A 112 1.078 -16.319 2.406 1.00 0.00 O ATOM 0 H ASP A 112 3.905 -12.408 1.679 1.00 0.00 H new ATOM 0 HA ASP A 112 3.474 -15.157 0.721 1.00 0.00 H new ATOM 0 HB2 ASP A 112 3.878 -14.883 3.312 1.00 0.00 H new ATOM 0 HB3 ASP A 112 2.295 -14.132 3.323 1.00 0.00 H new ATOM 1821 N ARG A 113 1.146 -14.519 -0.067 1.00 0.00 N ATOM 1822 CA ARG A 113 -0.164 -14.120 -0.615 1.00 0.00 C ATOM 1823 C ARG A 113 -1.239 -14.001 0.471 1.00 0.00 C ATOM 1824 O ARG A 113 -2.105 -13.138 0.363 1.00 0.00 O ATOM 1825 CB ARG A 113 -0.576 -15.109 -1.723 1.00 0.00 C ATOM 1826 CG ARG A 113 -1.875 -14.744 -2.465 1.00 0.00 C ATOM 1827 CD ARG A 113 -1.799 -13.367 -3.140 1.00 0.00 C ATOM 1828 NE ARG A 113 -2.974 -13.094 -3.986 1.00 0.00 N ATOM 1829 CZ ARG A 113 -3.176 -13.512 -5.222 1.00 0.00 C ATOM 1830 NH1 ARG A 113 -4.201 -13.113 -5.906 1.00 0.00 N ATOM 1831 NH2 ARG A 113 -2.372 -14.316 -5.844 1.00 0.00 N ATOM 0 H ARG A 113 1.466 -15.432 -0.391 1.00 0.00 H new ATOM 0 HA ARG A 113 -0.068 -13.124 -1.046 1.00 0.00 H new ATOM 0 HB2 ARG A 113 0.234 -15.177 -2.449 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -0.692 -16.099 -1.282 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -2.085 -15.503 -3.218 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -2.707 -14.755 -1.761 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -1.717 -12.594 -2.376 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -0.896 -13.312 -3.748 1.00 0.00 H new ATOM 0 HE ARG A 113 -3.710 -12.521 -3.573 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -4.870 -12.464 -5.491 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -4.339 -13.448 -6.860 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -1.532 -14.659 -5.378 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -2.579 -14.606 -6.800 1.00 0.00 H new ATOM 1845 N GLY A 114 -1.163 -14.802 1.535 1.00 0.00 N ATOM 1846 CA GLY A 114 -2.054 -14.709 2.695 1.00 0.00 C ATOM 1847 C GLY A 114 -1.826 -13.439 3.523 1.00 0.00 C ATOM 1848 O GLY A 114 -2.787 -12.833 3.994 1.00 0.00 O ATOM 0 H GLY A 114 -0.470 -15.546 1.617 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -3.089 -14.733 2.354 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -1.907 -15.582 3.331 1.00 0.00 H new ATOM 1852 N ASP A 115 -0.575 -12.977 3.637 1.00 0.00 N ATOM 1853 CA ASP A 115 -0.254 -11.695 4.278 1.00 0.00 C ATOM 1854 C ASP A 115 -0.671 -10.497 3.403 1.00 0.00 C ATOM 1855 O ASP A 115 -1.211 -9.513 3.911 1.00 0.00 O ATOM 1856 CB ASP A 115 1.216 -11.655 4.715 1.00 0.00 C ATOM 1857 CG ASP A 115 1.437 -12.535 5.965 1.00 0.00 C ATOM 1858 OD1 ASP A 115 0.877 -12.202 7.039 1.00 0.00 O ATOM 1859 OD2 ASP A 115 2.133 -13.574 5.882 1.00 0.00 O ATOM 0 H ASP A 115 0.242 -13.479 3.289 1.00 0.00 H new ATOM 0 HA ASP A 115 -0.847 -11.607 5.188 1.00 0.00 H new ATOM 0 HB2 ASP A 115 1.852 -12.004 3.901 1.00 0.00 H new ATOM 0 HB3 ASP A 115 1.509 -10.627 4.931 1.00 0.00 H new ATOM 1864 N ALA A 116 -0.550 -10.608 2.077 1.00 0.00 N ATOM 1865 CA ALA A 116 -1.098 -9.617 1.150 1.00 0.00 C ATOM 1866 C ALA A 116 -2.638 -9.577 1.150 1.00 0.00 C ATOM 1867 O ALA A 116 -3.235 -8.508 1.021 1.00 0.00 O ATOM 1868 CB ALA A 116 -0.589 -9.932 -0.251 1.00 0.00 C ATOM 0 H ALA A 116 -0.072 -11.384 1.619 1.00 0.00 H new ATOM 0 HA ALA A 116 -0.764 -8.633 1.478 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -0.988 -9.202 -0.956 1.00 0.00 H new ATOM 0 HB2 ALA A 116 0.500 -9.888 -0.261 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -0.914 -10.931 -0.540 1.00 0.00 H new ATOM 1874 N PHE A 117 -3.303 -10.720 1.339 1.00 0.00 N ATOM 1875 CA PHE A 117 -4.765 -10.779 1.378 1.00 0.00 C ATOM 1876 C PHE A 117 -5.353 -9.998 2.570 1.00 0.00 C ATOM 1877 O PHE A 117 -6.461 -9.469 2.498 1.00 0.00 O ATOM 1878 CB PHE A 117 -5.220 -12.241 1.359 1.00 0.00 C ATOM 1879 CG PHE A 117 -6.717 -12.436 1.208 1.00 0.00 C ATOM 1880 CD1 PHE A 117 -7.345 -12.173 -0.025 1.00 0.00 C ATOM 1881 CD2 PHE A 117 -7.481 -12.906 2.292 1.00 0.00 C ATOM 1882 CE1 PHE A 117 -8.721 -12.415 -0.185 1.00 0.00 C ATOM 1883 CE2 PHE A 117 -8.854 -13.166 2.127 1.00 0.00 C ATOM 1884 CZ PHE A 117 -9.472 -12.931 0.886 1.00 0.00 C ATOM 0 H PHE A 117 -2.847 -11.623 1.468 1.00 0.00 H new ATOM 0 HA PHE A 117 -5.153 -10.284 0.488 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -4.716 -12.754 0.540 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -4.896 -12.720 2.283 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -6.768 -11.784 -0.851 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -7.013 -13.067 3.252 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -9.201 -12.205 -1.130 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -9.434 -13.547 2.955 1.00 0.00 H new ATOM 0 HZ PHE A 117 -10.522 -13.147 0.756 1.00 0.00 H new ATOM 1894 N ASP A 118 -4.586 -9.836 3.650 1.00 0.00 N ATOM 1895 CA ASP A 118 -4.983 -9.002 4.787 1.00 0.00 C ATOM 1896 C ASP A 118 -4.822 -7.504 4.476 1.00 0.00 C ATOM 1897 O ASP A 118 -5.595 -6.694 4.986 1.00 0.00 O ATOM 1898 CB ASP A 118 -4.182 -9.358 6.044 1.00 0.00 C ATOM 1899 CG ASP A 118 -4.447 -10.766 6.601 1.00 0.00 C ATOM 1900 OD1 ASP A 118 -3.483 -11.377 7.123 1.00 0.00 O ATOM 1901 OD2 ASP A 118 -5.614 -11.228 6.603 1.00 0.00 O ATOM 0 H ASP A 118 -3.674 -10.278 3.761 1.00 0.00 H new ATOM 0 HA ASP A 118 -6.038 -9.204 4.973 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -3.120 -9.266 5.819 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -4.408 -8.627 6.821 1.00 0.00 H new ATOM 1906 N PHE A 119 -3.872 -7.119 3.610 1.00 0.00 N ATOM 1907 CA PHE A 119 -3.696 -5.734 3.164 1.00 0.00 C ATOM 1908 C PHE A 119 -4.924 -5.253 2.376 1.00 0.00 C ATOM 1909 O PHE A 119 -5.404 -4.144 2.607 1.00 0.00 O ATOM 1910 CB PHE A 119 -2.390 -5.609 2.354 1.00 0.00 C ATOM 1911 CG PHE A 119 -2.179 -4.257 1.703 1.00 0.00 C ATOM 1912 CD1 PHE A 119 -1.436 -3.265 2.355 1.00 0.00 C ATOM 1913 CD2 PHE A 119 -2.748 -3.978 0.448 1.00 0.00 C ATOM 1914 CE1 PHE A 119 -1.341 -1.977 1.811 1.00 0.00 C ATOM 1915 CE2 PHE A 119 -2.633 -2.692 -0.118 1.00 0.00 C ATOM 1916 CZ PHE A 119 -1.944 -1.686 0.577 1.00 0.00 C ATOM 0 H PHE A 119 -3.201 -7.767 3.198 1.00 0.00 H new ATOM 0 HA PHE A 119 -3.610 -5.082 4.033 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -1.547 -5.815 3.014 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -2.383 -6.376 1.579 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -0.933 -3.494 3.283 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -3.277 -4.754 -0.086 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -0.803 -1.206 2.342 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -3.073 -2.482 -1.082 1.00 0.00 H new ATOM 0 HZ PHE A 119 -1.878 -0.690 0.164 1.00 0.00 H new ATOM 1926 N ASN A 120 -5.489 -6.094 1.501 1.00 0.00 N ATOM 1927 CA ASN A 120 -6.679 -5.731 0.727 1.00 0.00 C ATOM 1928 C ASN A 120 -7.984 -5.897 1.515 1.00 0.00 C ATOM 1929 O ASN A 120 -8.851 -5.028 1.439 1.00 0.00 O ATOM 1930 CB ASN A 120 -6.656 -6.451 -0.629 1.00 0.00 C ATOM 1931 CG ASN A 120 -7.229 -7.852 -0.680 1.00 0.00 C ATOM 1932 OD1 ASN A 120 -6.529 -8.822 -0.485 1.00 0.00 O ATOM 1933 ND2 ASN A 120 -8.480 -8.037 -1.010 1.00 0.00 N ATOM 0 H ASN A 120 -5.139 -7.033 1.312 1.00 0.00 H new ATOM 0 HA ASN A 120 -6.648 -4.661 0.521 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -7.201 -5.837 -1.346 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -5.622 -6.497 -0.969 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -8.849 -8.984 -1.099 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -9.087 -7.235 -1.179 1.00 0.00 H new ATOM 1940 N VAL A 121 -8.130 -6.956 2.322 1.00 0.00 N ATOM 1941 CA VAL A 121 -9.387 -7.207 3.046 1.00 0.00 C ATOM 1942 C VAL A 121 -9.577 -6.286 4.256 1.00 0.00 C ATOM 1943 O VAL A 121 -10.712 -5.887 4.524 1.00 0.00 O ATOM 1944 CB VAL A 121 -9.545 -8.699 3.405 1.00 0.00 C ATOM 1945 CG1 VAL A 121 -10.761 -8.992 4.296 1.00 0.00 C ATOM 1946 CG2 VAL A 121 -9.739 -9.521 2.123 1.00 0.00 C ATOM 0 H VAL A 121 -7.401 -7.649 2.491 1.00 0.00 H new ATOM 0 HA VAL A 121 -10.197 -6.955 2.361 1.00 0.00 H new ATOM 0 HB VAL A 121 -8.638 -8.967 3.947 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -10.808 -10.060 4.507 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -10.668 -8.441 5.232 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -11.671 -8.683 3.782 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -9.850 -10.574 2.380 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -10.633 -9.178 1.603 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -8.871 -9.395 1.475 1.00 0.00 H new ATOM 1956 N SER A 122 -8.506 -5.851 4.930 1.00 0.00 N ATOM 1957 CA SER A 122 -8.617 -4.803 5.964 1.00 0.00 C ATOM 1958 C SER A 122 -9.154 -3.481 5.403 1.00 0.00 C ATOM 1959 O SER A 122 -9.851 -2.761 6.116 1.00 0.00 O ATOM 1960 CB SER A 122 -7.284 -4.547 6.678 1.00 0.00 C ATOM 1961 OG SER A 122 -6.262 -4.196 5.772 1.00 0.00 O ATOM 0 H SER A 122 -7.559 -6.201 4.784 1.00 0.00 H new ATOM 0 HA SER A 122 -9.334 -5.188 6.689 1.00 0.00 H new ATOM 0 HB2 SER A 122 -7.411 -3.749 7.409 1.00 0.00 H new ATOM 0 HB3 SER A 122 -6.990 -5.440 7.229 1.00 0.00 H new ATOM 0 HG SER A 122 -5.929 -5.003 5.326 1.00 0.00 H new ATOM 1967 N LEU A 123 -8.900 -3.186 4.120 1.00 0.00 N ATOM 1968 CA LEU A 123 -9.430 -2.003 3.437 1.00 0.00 C ATOM 1969 C LEU A 123 -10.840 -2.244 2.876 1.00 0.00 C ATOM 1970 O LEU A 123 -11.711 -1.396 3.059 1.00 0.00 O ATOM 1971 CB LEU A 123 -8.432 -1.548 2.363 1.00 0.00 C ATOM 1972 CG LEU A 123 -7.062 -1.153 2.951 1.00 0.00 C ATOM 1973 CD1 LEU A 123 -6.030 -1.030 1.838 1.00 0.00 C ATOM 1974 CD2 LEU A 123 -7.117 0.172 3.719 1.00 0.00 C ATOM 0 H LEU A 123 -8.314 -3.770 3.523 1.00 0.00 H new ATOM 0 HA LEU A 123 -9.544 -1.196 4.161 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -8.294 -2.350 1.638 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -8.849 -0.698 1.822 1.00 0.00 H new ATOM 0 HG LEU A 123 -6.780 -1.941 3.649 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -5.067 -0.751 2.264 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -5.935 -1.986 1.322 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -6.348 -0.265 1.129 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -6.128 0.405 4.113 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -7.437 0.969 3.048 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -7.825 0.086 4.543 1.00 0.00 H new ATOM 1986 N GLN A 124 -11.119 -3.417 2.294 1.00 0.00 N ATOM 1987 CA GLN A 124 -12.482 -3.799 1.894 1.00 0.00 C ATOM 1988 C GLN A 124 -13.462 -3.676 3.072 1.00 0.00 C ATOM 1989 O GLN A 124 -14.470 -2.981 2.956 1.00 0.00 O ATOM 1990 CB GLN A 124 -12.516 -5.238 1.348 1.00 0.00 C ATOM 1991 CG GLN A 124 -11.899 -5.420 -0.049 1.00 0.00 C ATOM 1992 CD GLN A 124 -12.812 -4.974 -1.195 1.00 0.00 C ATOM 1993 OE1 GLN A 124 -13.780 -4.241 -1.037 1.00 0.00 O ATOM 1994 NE2 GLN A 124 -12.541 -5.406 -2.406 1.00 0.00 N ATOM 0 H GLN A 124 -10.413 -4.124 2.088 1.00 0.00 H new ATOM 0 HA GLN A 124 -12.790 -3.113 1.105 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -11.991 -5.888 2.048 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -13.552 -5.574 1.317 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -10.967 -4.857 -0.100 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -11.644 -6.471 -0.189 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -11.740 -6.018 -2.562 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -13.132 -5.130 -3.190 1.00 0.00 H new ATOM 2003 N ASP A 125 -13.144 -4.260 4.235 1.00 0.00 N ATOM 2004 CA ASP A 125 -14.012 -4.228 5.422 1.00 0.00 C ATOM 2005 C ASP A 125 -14.030 -2.858 6.127 1.00 0.00 C ATOM 2006 O ASP A 125 -14.879 -2.614 6.982 1.00 0.00 O ATOM 2007 CB ASP A 125 -13.591 -5.334 6.397 1.00 0.00 C ATOM 2008 CG ASP A 125 -14.656 -5.618 7.471 1.00 0.00 C ATOM 2009 OD1 ASP A 125 -14.335 -5.552 8.682 1.00 0.00 O ATOM 2010 OD2 ASP A 125 -15.807 -5.959 7.105 1.00 0.00 O ATOM 0 H ASP A 125 -12.273 -4.771 4.381 1.00 0.00 H new ATOM 0 HA ASP A 125 -15.032 -4.403 5.080 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -13.392 -6.248 5.838 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -12.658 -5.048 6.883 1.00 0.00 H new ATOM 2015 N HIS A 126 -13.127 -1.944 5.760 1.00 0.00 N ATOM 2016 CA HIS A 126 -13.113 -0.561 6.257 1.00 0.00 C ATOM 2017 C HIS A 126 -14.028 0.369 5.449 1.00 0.00 C ATOM 2018 O HIS A 126 -14.622 1.287 6.011 1.00 0.00 O ATOM 2019 CB HIS A 126 -11.678 -0.029 6.286 1.00 0.00 C ATOM 2020 CG HIS A 126 -11.595 1.388 6.789 1.00 0.00 C ATOM 2021 ND1 HIS A 126 -11.335 2.511 6.002 1.00 0.00 N ATOM 2022 CD2 HIS A 126 -11.756 1.779 8.084 1.00 0.00 C ATOM 2023 CE1 HIS A 126 -11.335 3.556 6.842 1.00 0.00 C ATOM 2024 NE2 HIS A 126 -11.590 3.145 8.095 1.00 0.00 N ATOM 0 H HIS A 126 -12.375 -2.144 5.101 1.00 0.00 H new ATOM 0 HA HIS A 126 -13.511 -0.576 7.272 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -11.069 -0.672 6.921 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -11.255 -0.080 5.283 1.00 0.00 H new ATOM 0 HD1 HIS A 126 -11.177 2.532 4.994 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -11.971 1.145 8.931 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -11.156 4.581 6.553 1.00 0.00 H new ATOM 2032 N PHE A 127 -14.197 0.107 4.150 1.00 0.00 N ATOM 2033 CA PHE A 127 -15.016 0.931 3.248 1.00 0.00 C ATOM 2034 C PHE A 127 -16.423 0.357 3.010 1.00 0.00 C ATOM 2035 O PHE A 127 -17.352 1.091 2.671 1.00 0.00 O ATOM 2036 CB PHE A 127 -14.207 1.232 1.983 1.00 0.00 C ATOM 2037 CG PHE A 127 -13.144 2.294 2.232 1.00 0.00 C ATOM 2038 CD1 PHE A 127 -13.512 3.650 2.333 1.00 0.00 C ATOM 2039 CD2 PHE A 127 -11.798 1.932 2.437 1.00 0.00 C ATOM 2040 CE1 PHE A 127 -12.546 4.625 2.630 1.00 0.00 C ATOM 2041 CE2 PHE A 127 -10.829 2.908 2.722 1.00 0.00 C ATOM 2042 CZ PHE A 127 -11.207 4.255 2.827 1.00 0.00 C ATOM 0 H PHE A 127 -13.765 -0.692 3.687 1.00 0.00 H new ATOM 0 HA PHE A 127 -15.237 1.886 3.724 1.00 0.00 H new ATOM 0 HB2 PHE A 127 -13.731 0.317 1.629 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -14.879 1.568 1.193 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -14.541 3.941 2.181 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -11.508 0.893 2.374 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -12.835 5.663 2.707 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -9.797 2.623 2.860 1.00 0.00 H new ATOM 0 HZ PHE A 127 -10.467 5.007 3.059 1.00 0.00 H new ATOM 2052 N LYS A 128 -16.597 -0.932 3.316 1.00 0.00 N ATOM 2053 CA LYS A 128 -17.839 -1.724 3.365 1.00 0.00 C ATOM 2054 C LYS A 128 -19.007 -1.096 4.147 1.00 0.00 C ATOM 2055 O LYS A 128 -20.160 -1.329 3.785 1.00 0.00 O ATOM 2056 CB LYS A 128 -17.384 -3.098 3.899 1.00 0.00 C ATOM 2057 CG LYS A 128 -18.369 -4.022 4.616 1.00 0.00 C ATOM 2058 CD LYS A 128 -18.425 -3.756 6.129 1.00 0.00 C ATOM 2059 CE LYS A 128 -19.209 -4.797 6.934 1.00 0.00 C ATOM 2060 NZ LYS A 128 -18.568 -6.138 6.889 1.00 0.00 N ATOM 0 H LYS A 128 -15.792 -1.509 3.561 1.00 0.00 H new ATOM 0 HA LYS A 128 -18.295 -1.790 2.377 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -16.981 -3.654 3.052 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -16.556 -2.917 4.585 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -19.363 -3.890 4.189 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -18.083 -5.059 4.442 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -17.406 -3.711 6.514 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -18.872 -2.776 6.295 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -19.289 -4.468 7.970 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -20.224 -4.868 6.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -19.019 -6.762 7.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -18.681 -6.545 5.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -17.556 -6.046 7.108 1.00 0.00 H new ATOM 2074 N TRP A 129 -18.738 -0.303 5.190 1.00 0.00 N ATOM 2075 CA TRP A 129 -19.758 0.340 6.051 1.00 0.00 C ATOM 2076 C TRP A 129 -19.876 1.871 5.874 1.00 0.00 C ATOM 2077 O TRP A 129 -20.651 2.524 6.577 1.00 0.00 O ATOM 2078 CB TRP A 129 -19.524 -0.083 7.509 1.00 0.00 C ATOM 2079 CG TRP A 129 -18.141 0.162 8.022 1.00 0.00 C ATOM 2080 CD1 TRP A 129 -17.113 -0.714 7.979 1.00 0.00 C ATOM 2081 CD2 TRP A 129 -17.595 1.384 8.602 1.00 0.00 C ATOM 2082 NE1 TRP A 129 -15.980 -0.121 8.483 1.00 0.00 N ATOM 2083 CE2 TRP A 129 -16.207 1.187 8.863 1.00 0.00 C ATOM 2084 CE3 TRP A 129 -18.134 2.653 8.895 1.00 0.00 C ATOM 2085 CZ2 TRP A 129 -15.388 2.206 9.374 1.00 0.00 C ATOM 2086 CZ3 TRP A 129 -17.325 3.685 9.409 1.00 0.00 C ATOM 2087 CH2 TRP A 129 -15.954 3.467 9.639 1.00 0.00 C ATOM 0 H TRP A 129 -17.784 -0.080 5.472 1.00 0.00 H new ATOM 0 HA TRP A 129 -20.735 -0.019 5.727 1.00 0.00 H new ATOM 0 HB2 TRP A 129 -20.231 0.450 8.145 1.00 0.00 H new ATOM 0 HB3 TRP A 129 -19.748 -1.145 7.604 1.00 0.00 H new ATOM 0 HD1 TRP A 129 -17.173 -1.726 7.606 1.00 0.00 H new ATOM 0 HE1 TRP A 129 -15.079 -0.591 8.566 1.00 0.00 H new ATOM 0 HE3 TRP A 129 -19.184 2.837 8.723 1.00 0.00 H new ATOM 0 HZ2 TRP A 129 -14.340 2.025 9.561 1.00 0.00 H new ATOM 0 HZ3 TRP A 129 -17.759 4.649 9.628 1.00 0.00 H new ATOM 0 HH2 TRP A 129 -15.336 4.267 10.019 1.00 0.00 H new ATOM 2098 N VAL A 130 -19.140 2.444 4.918 1.00 0.00 N ATOM 2099 CA VAL A 130 -19.123 3.877 4.550 1.00 0.00 C ATOM 2100 C VAL A 130 -19.411 4.026 3.044 1.00 0.00 C ATOM 2101 O VAL A 130 -20.084 3.170 2.466 1.00 0.00 O ATOM 2102 CB VAL A 130 -17.841 4.594 5.074 1.00 0.00 C ATOM 2103 CG1 VAL A 130 -18.223 5.502 6.248 1.00 0.00 C ATOM 2104 CG2 VAL A 130 -16.721 3.677 5.557 1.00 0.00 C ATOM 0 H VAL A 130 -18.501 1.896 4.343 1.00 0.00 H new ATOM 0 HA VAL A 130 -19.928 4.409 5.057 1.00 0.00 H new ATOM 0 HB VAL A 130 -17.451 5.135 4.212 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -17.333 6.008 6.621 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -18.948 6.244 5.913 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -18.660 4.901 7.045 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -15.879 4.279 5.899 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -17.084 3.061 6.380 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -16.398 3.034 4.738 1.00 0.00 H new