USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 596 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: B 47 ASN : amide:sc= 0.517 K(o=1.1,f=-0.0098) USER MOD Set 1.2: B 51 ASN : amide:sc= 0.564 K(o=1.1,f=0) USER MOD Set 2.1: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: B 19 THR OG1 : rot -62:sc=0.000427 USER MOD Single : A 15 THR OG1 : rot 5:sc= 0.229 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 106:sc= 0.0665 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0255) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0.0121 USER MOD Single : A 44 TYR OH : rot -170:sc= 0.00662 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= 0.74 K(o=0.74,f=0) USER MOD Single : B 15 THR OG1 : rot 7:sc= 0.218 USER MOD Single : B 23 SER OG : rot 90:sc= 1.12 USER MOD Single : B 29 THR OG1 : rot 81:sc= 0.313 USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 37 SER OG : rot -37:sc= 0.00383 USER MOD Single : B 40 THR OG1 : rot 180:sc= 0 USER MOD Single : B 42 SER OG : rot 180:sc= 0 USER MOD Single : B 44 TYR OH : rot -154:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 234 N THR A 15 13.864 -0.030 -4.000 1.00 0.00 N ATOM 235 CA THR A 15 12.546 0.304 -3.510 1.00 0.00 C ATOM 236 C THR A 15 11.585 -0.774 -4.028 1.00 0.00 C ATOM 237 O THR A 15 11.958 -1.717 -4.743 1.00 0.00 O ATOM 238 CB THR A 15 12.195 1.701 -4.068 1.00 0.00 C ATOM 239 OG1 THR A 15 11.183 2.372 -3.358 1.00 0.00 O ATOM 240 CG2 THR A 15 11.773 1.686 -5.548 1.00 0.00 C ATOM 0 HA THR A 15 12.485 0.335 -2.422 1.00 0.00 H new ATOM 0 HB THR A 15 13.136 2.238 -3.951 1.00 0.00 H new ATOM 0 HG1 THR A 15 10.936 1.848 -2.567 1.00 0.00 H new ATOM 0 HG21 THR A 15 11.542 2.701 -5.871 1.00 0.00 H new ATOM 0 HG22 THR A 15 12.587 1.289 -6.154 1.00 0.00 H new ATOM 0 HG23 THR A 15 10.891 1.057 -5.668 1.00 0.00 H new ATOM 248 N VAL A 16 10.310 -0.602 -3.722 1.00 0.00 N ATOM 249 CA VAL A 16 9.239 -1.484 -4.140 1.00 0.00 C ATOM 250 C VAL A 16 8.152 -0.587 -4.700 1.00 0.00 C ATOM 251 O VAL A 16 7.958 0.510 -4.177 1.00 0.00 O ATOM 252 CB VAL A 16 8.732 -2.322 -2.969 1.00 0.00 C ATOM 253 CG1 VAL A 16 7.912 -3.507 -3.485 1.00 0.00 C ATOM 254 CG2 VAL A 16 9.859 -2.874 -2.108 1.00 0.00 C ATOM 0 H VAL A 16 9.984 0.182 -3.157 1.00 0.00 H new ATOM 0 HA VAL A 16 9.578 -2.197 -4.891 1.00 0.00 H new ATOM 0 HB VAL A 16 8.123 -1.655 -2.358 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.556 -4.098 -2.641 1.00 0.00 H new ATOM 0 HG12 VAL A 16 7.060 -3.139 -4.056 1.00 0.00 H new ATOM 0 HG13 VAL A 16 8.536 -4.130 -4.126 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.439 -3.461 -1.291 1.00 0.00 H new ATOM 0 HG22 VAL A 16 10.504 -3.508 -2.716 1.00 0.00 H new ATOM 0 HG23 VAL A 16 10.442 -2.049 -1.699 1.00 0.00 H new ATOM 264 N VAL A 17 7.454 -1.036 -5.737 1.00 0.00 N ATOM 265 CA VAL A 17 6.382 -0.286 -6.361 1.00 0.00 C ATOM 266 C VAL A 17 5.247 -1.283 -6.583 1.00 0.00 C ATOM 267 O VAL A 17 5.302 -2.177 -7.438 1.00 0.00 O ATOM 268 CB VAL A 17 6.906 0.487 -7.589 1.00 0.00 C ATOM 269 CG1 VAL A 17 7.325 -0.406 -8.757 1.00 0.00 C ATOM 270 CG2 VAL A 17 5.872 1.502 -8.079 1.00 0.00 C ATOM 0 H VAL A 17 7.623 -1.944 -6.170 1.00 0.00 H new ATOM 0 HA VAL A 17 5.978 0.519 -5.747 1.00 0.00 H new ATOM 0 HB VAL A 17 7.804 0.997 -7.240 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.681 0.214 -9.580 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.123 -1.075 -8.435 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.470 -0.995 -9.090 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.266 2.033 -8.945 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.956 0.982 -8.358 1.00 0.00 H new ATOM 0 HG23 VAL A 17 5.656 2.215 -7.283 1.00 0.00 H new ATOM 280 N ARG A 18 4.239 -1.187 -5.723 1.00 0.00 N ATOM 281 CA ARG A 18 3.071 -2.056 -5.772 1.00 0.00 C ATOM 282 C ARG A 18 1.824 -1.243 -5.498 1.00 0.00 C ATOM 283 O ARG A 18 1.876 -0.251 -4.768 1.00 0.00 O ATOM 284 CB ARG A 18 3.228 -3.229 -4.785 1.00 0.00 C ATOM 285 CG ARG A 18 2.062 -4.215 -4.918 1.00 0.00 C ATOM 286 CD ARG A 18 2.223 -5.507 -4.135 1.00 0.00 C ATOM 287 NE ARG A 18 2.967 -6.544 -4.863 1.00 0.00 N ATOM 288 CZ ARG A 18 3.149 -7.793 -4.432 1.00 0.00 C ATOM 289 NH1 ARG A 18 2.739 -8.155 -3.221 1.00 0.00 N ATOM 290 NH2 ARG A 18 3.720 -8.686 -5.234 1.00 0.00 N ATOM 0 H ARG A 18 4.210 -0.501 -4.969 1.00 0.00 H new ATOM 0 HA ARG A 18 2.978 -2.490 -6.768 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.169 -3.745 -4.974 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.273 -2.848 -3.765 1.00 0.00 H new ATOM 0 HG2 ARG A 18 1.148 -3.720 -4.590 1.00 0.00 H new ATOM 0 HG3 ARG A 18 1.931 -4.460 -5.972 1.00 0.00 H new ATOM 0 HD2 ARG A 18 2.736 -5.293 -3.198 1.00 0.00 H new ATOM 0 HD3 ARG A 18 1.236 -5.892 -3.877 1.00 0.00 H new ATOM 0 HE ARG A 18 3.374 -6.290 -5.763 1.00 0.00 H new ATOM 0 HH11 ARG A 18 2.281 -7.476 -2.613 1.00 0.00 H new ATOM 0 HH12 ARG A 18 2.882 -9.112 -2.899 1.00 0.00 H new ATOM 0 HH21 ARG A 18 4.015 -8.414 -6.172 1.00 0.00 H new ATOM 0 HH22 ARG A 18 3.863 -9.643 -4.912 1.00 0.00 H new ATOM 304 N THR A 19 0.712 -1.689 -6.063 1.00 0.00 N ATOM 305 CA THR A 19 -0.590 -1.066 -5.937 1.00 0.00 C ATOM 306 C THR A 19 -1.396 -1.894 -4.940 1.00 0.00 C ATOM 307 O THR A 19 -1.244 -3.119 -4.890 1.00 0.00 O ATOM 308 CB THR A 19 -1.220 -0.990 -7.342 1.00 0.00 C ATOM 309 OG1 THR A 19 -0.279 -0.434 -8.242 1.00 0.00 O ATOM 310 CG2 THR A 19 -2.496 -0.148 -7.413 1.00 0.00 C ATOM 0 H THR A 19 0.695 -2.527 -6.644 1.00 0.00 H new ATOM 0 HA THR A 19 -0.548 -0.046 -5.556 1.00 0.00 H new ATOM 0 HB THR A 19 -1.494 -2.012 -7.604 1.00 0.00 H new ATOM 0 HG1 THR A 19 -0.673 -0.384 -9.138 1.00 0.00 H new ATOM 0 HG21 THR A 19 -2.874 -0.146 -8.435 1.00 0.00 H new ATOM 0 HG22 THR A 19 -3.249 -0.571 -6.748 1.00 0.00 H new ATOM 0 HG23 THR A 19 -2.275 0.874 -7.106 1.00 0.00 H new ATOM 318 N LEU A 20 -2.238 -1.259 -4.127 1.00 0.00 N ATOM 319 CA LEU A 20 -3.058 -1.967 -3.151 1.00 0.00 C ATOM 320 C LEU A 20 -4.486 -1.455 -3.228 1.00 0.00 C ATOM 321 O LEU A 20 -4.743 -0.271 -3.471 1.00 0.00 O ATOM 322 CB LEU A 20 -2.494 -1.837 -1.724 1.00 0.00 C ATOM 323 CG LEU A 20 -1.248 -2.696 -1.433 1.00 0.00 C ATOM 324 CD1 LEU A 20 -0.729 -2.375 -0.030 1.00 0.00 C ATOM 325 CD2 LEU A 20 -1.505 -4.207 -1.488 1.00 0.00 C ATOM 0 H LEU A 20 -2.369 -0.247 -4.127 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.045 -3.030 -3.393 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.246 -0.791 -1.542 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.276 -2.107 -1.015 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.529 -2.450 -2.215 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.153 -2.981 0.179 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.465 -1.319 0.028 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.504 -2.596 0.704 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.580 -4.742 -1.272 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.260 -4.475 -0.749 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.858 -4.480 -2.482 1.00 0.00 H new ATOM 337 N ARG A 21 -5.409 -2.395 -3.065 1.00 0.00 N ATOM 338 CA ARG A 21 -6.848 -2.207 -3.065 1.00 0.00 C ATOM 339 C ARG A 21 -7.296 -2.235 -1.609 1.00 0.00 C ATOM 340 O ARG A 21 -6.752 -3.018 -0.825 1.00 0.00 O ATOM 341 CB ARG A 21 -7.536 -3.342 -3.840 1.00 0.00 C ATOM 342 CG ARG A 21 -7.312 -3.362 -5.363 1.00 0.00 C ATOM 343 CD ARG A 21 -8.428 -2.656 -6.150 1.00 0.00 C ATOM 344 NE ARG A 21 -8.426 -3.050 -7.576 1.00 0.00 N ATOM 345 CZ ARG A 21 -8.908 -4.193 -8.095 1.00 0.00 C ATOM 346 NH1 ARG A 21 -9.500 -5.103 -7.327 1.00 0.00 N ATOM 347 NH2 ARG A 21 -8.798 -4.425 -9.398 1.00 0.00 N ATOM 0 H ARG A 21 -5.152 -3.371 -2.920 1.00 0.00 H new ATOM 0 HA ARG A 21 -7.114 -1.265 -3.545 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.193 -4.292 -3.431 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -8.608 -3.283 -3.653 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.359 -2.884 -5.590 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -7.238 -4.396 -5.699 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -9.394 -2.898 -5.707 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -8.302 -1.576 -6.071 1.00 0.00 H new ATOM 0 HE ARG A 21 -8.017 -2.386 -8.233 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -9.595 -4.940 -6.325 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -9.859 -5.964 -7.740 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -8.349 -3.737 -10.002 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -9.163 -5.291 -9.794 1.00 0.00 H new ATOM 361 N PHE A 22 -8.256 -1.388 -1.257 1.00 0.00 N ATOM 362 CA PHE A 22 -8.824 -1.278 0.084 1.00 0.00 C ATOM 363 C PHE A 22 -10.316 -1.062 -0.125 1.00 0.00 C ATOM 364 O PHE A 22 -10.700 -0.444 -1.121 1.00 0.00 O ATOM 365 CB PHE A 22 -8.198 -0.118 0.879 1.00 0.00 C ATOM 366 CG PHE A 22 -6.708 -0.248 1.153 1.00 0.00 C ATOM 367 CD1 PHE A 22 -5.772 0.208 0.205 1.00 0.00 C ATOM 368 CD2 PHE A 22 -6.248 -0.805 2.363 1.00 0.00 C ATOM 369 CE1 PHE A 22 -4.392 0.097 0.453 1.00 0.00 C ATOM 370 CE2 PHE A 22 -4.867 -0.904 2.615 1.00 0.00 C ATOM 371 CZ PHE A 22 -3.936 -0.470 1.655 1.00 0.00 C ATOM 0 H PHE A 22 -8.676 -0.736 -1.919 1.00 0.00 H new ATOM 0 HA PHE A 22 -8.622 -2.173 0.672 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -8.371 0.810 0.333 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -8.720 -0.029 1.832 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -6.116 0.646 -0.720 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -6.957 -1.157 3.098 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -3.682 0.448 -0.281 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.520 -1.316 3.551 1.00 0.00 H new ATOM 0 HZ PHE A 22 -2.877 -0.572 1.840 1.00 0.00 H new ATOM 381 N SER A 23 -11.157 -1.625 0.737 1.00 0.00 N ATOM 382 CA SER A 23 -12.608 -1.486 0.641 1.00 0.00 C ATOM 383 C SER A 23 -12.999 -0.106 1.198 1.00 0.00 C ATOM 384 O SER A 23 -12.199 0.484 1.918 1.00 0.00 O ATOM 385 CB SER A 23 -13.255 -2.611 1.464 1.00 0.00 C ATOM 386 OG SER A 23 -12.568 -3.846 1.338 1.00 0.00 O ATOM 0 H SER A 23 -10.850 -2.194 1.526 1.00 0.00 H new ATOM 0 HA SER A 23 -12.949 -1.561 -0.392 1.00 0.00 H new ATOM 0 HB2 SER A 23 -13.280 -2.319 2.514 1.00 0.00 H new ATOM 0 HB3 SER A 23 -14.289 -2.741 1.145 1.00 0.00 H new ATOM 0 HG SER A 23 -13.017 -4.527 1.881 1.00 0.00 H new ATOM 392 N PRO A 24 -14.219 0.415 0.972 1.00 0.00 N ATOM 393 CA PRO A 24 -14.610 1.732 1.487 1.00 0.00 C ATOM 394 C PRO A 24 -14.717 1.745 3.018 1.00 0.00 C ATOM 395 O PRO A 24 -14.648 2.791 3.660 1.00 0.00 O ATOM 396 CB PRO A 24 -15.960 2.042 0.838 1.00 0.00 C ATOM 397 CG PRO A 24 -16.530 0.655 0.555 1.00 0.00 C ATOM 398 CD PRO A 24 -15.289 -0.151 0.172 1.00 0.00 C ATOM 0 HA PRO A 24 -13.859 2.484 1.244 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -16.605 2.616 1.503 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -15.844 2.625 -0.076 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -17.029 0.237 1.429 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -17.263 0.676 -0.251 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -15.424 -1.211 0.385 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -15.075 -0.065 -0.893 1.00 0.00 H new ATOM 406 N VAL A 25 -14.884 0.568 3.615 1.00 0.00 N ATOM 407 CA VAL A 25 -15.013 0.370 5.048 1.00 0.00 C ATOM 408 C VAL A 25 -13.631 0.325 5.716 1.00 0.00 C ATOM 409 O VAL A 25 -13.531 0.502 6.929 1.00 0.00 O ATOM 410 CB VAL A 25 -15.801 -0.945 5.244 1.00 0.00 C ATOM 411 CG1 VAL A 25 -16.233 -1.163 6.699 1.00 0.00 C ATOM 412 CG2 VAL A 25 -17.067 -1.021 4.366 1.00 0.00 C ATOM 0 H VAL A 25 -14.935 -0.305 3.090 1.00 0.00 H new ATOM 0 HA VAL A 25 -15.545 1.196 5.520 1.00 0.00 H new ATOM 0 HB VAL A 25 -15.100 -1.725 4.945 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -16.782 -2.101 6.779 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -15.351 -1.204 7.338 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -16.873 -0.340 7.016 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -17.579 -1.966 4.547 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -17.733 -0.195 4.615 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -16.785 -0.956 3.315 1.00 0.00 H new ATOM 422 N GLU A 26 -12.584 0.039 4.945 1.00 0.00 N ATOM 423 CA GLU A 26 -11.197 -0.023 5.398 1.00 0.00 C ATOM 424 C GLU A 26 -10.588 1.363 5.170 1.00 0.00 C ATOM 425 O GLU A 26 -9.951 1.941 6.043 1.00 0.00 O ATOM 426 CB GLU A 26 -10.429 -1.069 4.572 1.00 0.00 C ATOM 427 CG GLU A 26 -10.982 -2.493 4.743 1.00 0.00 C ATOM 428 CD GLU A 26 -10.318 -3.504 3.803 1.00 0.00 C ATOM 429 OE1 GLU A 26 -9.758 -3.116 2.759 1.00 0.00 O ATOM 430 OE2 GLU A 26 -10.460 -4.725 4.062 1.00 0.00 O ATOM 0 H GLU A 26 -12.683 -0.163 3.950 1.00 0.00 H new ATOM 0 HA GLU A 26 -11.141 -0.306 6.449 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.470 -0.793 3.518 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -9.379 -1.055 4.864 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.836 -2.813 5.775 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -12.057 -2.485 4.560 1.00 0.00 H new ATOM 437 N ASP A 27 -10.836 1.893 3.975 1.00 0.00 N ATOM 438 CA ASP A 27 -10.414 3.175 3.450 1.00 0.00 C ATOM 439 C ASP A 27 -10.830 4.330 4.324 1.00 0.00 C ATOM 440 O ASP A 27 -9.971 5.124 4.693 1.00 0.00 O ATOM 441 CB ASP A 27 -11.077 3.349 2.080 1.00 0.00 C ATOM 442 CG ASP A 27 -11.122 4.798 1.594 1.00 0.00 C ATOM 443 OD1 ASP A 27 -10.039 5.406 1.444 1.00 0.00 O ATOM 444 OD2 ASP A 27 -12.241 5.300 1.327 1.00 0.00 O ATOM 0 H ASP A 27 -11.391 1.381 3.290 1.00 0.00 H new ATOM 0 HA ASP A 27 -9.325 3.181 3.398 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -10.539 2.747 1.348 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -12.094 2.960 2.127 1.00 0.00 H new ATOM 449 N GLU A 28 -12.118 4.423 4.666 1.00 0.00 N ATOM 450 CA GLU A 28 -12.561 5.539 5.479 1.00 0.00 C ATOM 451 C GLU A 28 -11.845 5.526 6.828 1.00 0.00 C ATOM 452 O GLU A 28 -11.447 6.579 7.312 1.00 0.00 O ATOM 453 CB GLU A 28 -14.092 5.535 5.554 1.00 0.00 C ATOM 454 CG GLU A 28 -14.695 6.949 5.594 1.00 0.00 C ATOM 455 CD GLU A 28 -15.905 7.027 4.661 1.00 0.00 C ATOM 456 OE1 GLU A 28 -17.033 6.691 5.091 1.00 0.00 O ATOM 457 OE2 GLU A 28 -15.742 7.362 3.466 1.00 0.00 O ATOM 0 H GLU A 28 -12.845 3.759 4.399 1.00 0.00 H new ATOM 0 HA GLU A 28 -12.287 6.492 5.026 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -14.491 5.000 4.692 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -14.405 4.987 6.443 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -14.994 7.197 6.612 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -13.946 7.682 5.294 1.00 0.00 H new ATOM 464 N THR A 29 -11.628 4.348 7.415 1.00 0.00 N ATOM 465 CA THR A 29 -10.939 4.219 8.686 1.00 0.00 C ATOM 466 C THR A 29 -9.486 4.676 8.532 1.00 0.00 C ATOM 467 O THR A 29 -9.055 5.549 9.286 1.00 0.00 O ATOM 468 CB THR A 29 -11.060 2.770 9.171 1.00 0.00 C ATOM 469 OG1 THR A 29 -12.440 2.440 9.278 1.00 0.00 O ATOM 470 CG2 THR A 29 -10.403 2.569 10.533 1.00 0.00 C ATOM 0 H THR A 29 -11.928 3.459 7.016 1.00 0.00 H new ATOM 0 HA THR A 29 -11.393 4.859 9.443 1.00 0.00 H new ATOM 0 HB THR A 29 -10.552 2.128 8.452 1.00 0.00 H new ATOM 0 HG1 THR A 29 -12.695 1.855 8.534 1.00 0.00 H new ATOM 0 HG21 THR A 29 -10.512 1.529 10.839 1.00 0.00 H new ATOM 0 HG22 THR A 29 -9.344 2.819 10.467 1.00 0.00 H new ATOM 0 HG23 THR A 29 -10.883 3.216 11.268 1.00 0.00 H new ATOM 478 N ILE A 30 -8.749 4.128 7.556 1.00 0.00 N ATOM 479 CA ILE A 30 -7.353 4.488 7.327 1.00 0.00 C ATOM 480 C ILE A 30 -7.257 5.996 7.103 1.00 0.00 C ATOM 481 O ILE A 30 -6.374 6.638 7.659 1.00 0.00 O ATOM 482 CB ILE A 30 -6.713 3.634 6.206 1.00 0.00 C ATOM 483 CG1 ILE A 30 -6.559 2.174 6.703 1.00 0.00 C ATOM 484 CG2 ILE A 30 -5.336 4.206 5.789 1.00 0.00 C ATOM 485 CD1 ILE A 30 -6.281 1.131 5.611 1.00 0.00 C ATOM 0 H ILE A 30 -9.107 3.426 6.908 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.759 4.254 8.211 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.362 3.657 5.331 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.747 2.139 7.429 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.470 1.890 7.229 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.909 3.587 5.000 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.461 5.225 5.423 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.668 4.209 6.650 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -6.191 0.144 6.065 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -7.102 1.127 4.894 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -5.353 1.381 5.097 1.00 0.00 H new ATOM 497 N ARG A 31 -8.158 6.578 6.312 1.00 0.00 N ATOM 498 CA ARG A 31 -8.183 8.005 6.029 1.00 0.00 C ATOM 499 C ARG A 31 -8.404 8.807 7.308 1.00 0.00 C ATOM 500 O ARG A 31 -7.663 9.758 7.546 1.00 0.00 O ATOM 501 CB ARG A 31 -9.274 8.270 4.982 1.00 0.00 C ATOM 502 CG ARG A 31 -9.643 9.748 4.813 1.00 0.00 C ATOM 503 CD ARG A 31 -10.642 9.866 3.664 1.00 0.00 C ATOM 504 NE ARG A 31 -11.364 11.143 3.703 1.00 0.00 N ATOM 505 CZ ARG A 31 -12.229 11.575 2.784 1.00 0.00 C ATOM 506 NH1 ARG A 31 -12.637 10.773 1.803 1.00 0.00 N ATOM 507 NH2 ARG A 31 -12.699 12.815 2.835 1.00 0.00 N ATOM 0 H ARG A 31 -8.901 6.059 5.844 1.00 0.00 H new ATOM 0 HA ARG A 31 -7.223 8.329 5.627 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -8.941 7.879 4.021 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -10.169 7.714 5.259 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -10.076 10.139 5.734 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -8.752 10.340 4.603 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -10.116 9.774 2.714 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -11.355 9.043 3.715 1.00 0.00 H new ATOM 0 HE ARG A 31 -11.189 11.753 4.502 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -12.288 9.816 1.748 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -13.299 11.115 1.106 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -12.399 13.444 3.580 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -13.360 13.139 2.129 1.00 0.00 H new ATOM 521 N LYS A 32 -9.419 8.472 8.109 1.00 0.00 N ATOM 522 CA LYS A 32 -9.700 9.209 9.339 1.00 0.00 C ATOM 523 C LYS A 32 -8.520 9.107 10.296 1.00 0.00 C ATOM 524 O LYS A 32 -8.114 10.133 10.845 1.00 0.00 O ATOM 525 CB LYS A 32 -11.014 8.761 10.011 1.00 0.00 C ATOM 526 CG LYS A 32 -12.242 9.575 9.551 1.00 0.00 C ATOM 527 CD LYS A 32 -12.787 9.103 8.201 1.00 0.00 C ATOM 528 CE LYS A 32 -13.995 9.885 7.688 1.00 0.00 C ATOM 529 NZ LYS A 32 -15.206 9.683 8.507 1.00 0.00 N ATOM 0 H LYS A 32 -10.057 7.697 7.927 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.840 10.256 9.069 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.184 7.706 9.794 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.911 8.852 11.092 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -13.027 9.498 10.303 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.970 10.628 9.481 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.989 9.167 7.461 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -13.061 8.051 8.284 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -13.751 10.947 7.667 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -14.204 9.586 6.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -15.990 10.238 8.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -15.461 8.675 8.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -15.021 9.993 9.482 1.00 0.00 H new ATOM 543 N LYS A 33 -7.970 7.909 10.509 1.00 0.00 N ATOM 544 CA LYS A 33 -6.840 7.712 11.411 1.00 0.00 C ATOM 545 C LYS A 33 -5.615 8.459 10.896 1.00 0.00 C ATOM 546 O LYS A 33 -4.959 9.137 11.680 1.00 0.00 O ATOM 547 CB LYS A 33 -6.537 6.216 11.566 1.00 0.00 C ATOM 548 CG LYS A 33 -7.572 5.453 12.409 1.00 0.00 C ATOM 549 CD LYS A 33 -7.324 5.624 13.918 1.00 0.00 C ATOM 550 CE LYS A 33 -8.392 4.954 14.793 1.00 0.00 C ATOM 551 NZ LYS A 33 -8.560 3.514 14.500 1.00 0.00 N ATOM 0 H LYS A 33 -8.297 7.053 10.061 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.100 8.113 12.391 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.484 5.762 10.576 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.554 6.100 12.023 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -8.573 5.808 12.163 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -7.538 4.394 12.154 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.348 5.208 14.167 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.287 6.688 14.154 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -8.123 5.077 15.842 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -9.345 5.462 14.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -9.244 3.102 15.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -8.909 3.396 13.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.645 3.030 14.600 1.00 0.00 H new ATOM 565 N ALA A 34 -5.312 8.372 9.602 1.00 0.00 N ATOM 566 CA ALA A 34 -4.172 9.043 8.991 1.00 0.00 C ATOM 567 C ALA A 34 -4.292 10.560 9.159 1.00 0.00 C ATOM 568 O ALA A 34 -3.336 11.241 9.549 1.00 0.00 O ATOM 569 CB ALA A 34 -4.094 8.637 7.514 1.00 0.00 C ATOM 0 H ALA A 34 -5.862 7.824 8.940 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.249 8.740 9.486 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.244 9.133 7.045 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.970 7.557 7.440 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.012 8.933 7.006 1.00 0.00 H new ATOM 575 N GLU A 35 -5.475 11.105 8.877 1.00 0.00 N ATOM 576 CA GLU A 35 -5.697 12.537 8.993 1.00 0.00 C ATOM 577 C GLU A 35 -5.626 12.982 10.457 1.00 0.00 C ATOM 578 O GLU A 35 -5.065 14.039 10.752 1.00 0.00 O ATOM 579 CB GLU A 35 -7.009 12.963 8.318 1.00 0.00 C ATOM 580 CG GLU A 35 -7.051 14.500 8.248 1.00 0.00 C ATOM 581 CD GLU A 35 -8.164 15.015 7.346 1.00 0.00 C ATOM 582 OE1 GLU A 35 -7.996 14.966 6.103 1.00 0.00 O ATOM 583 OE2 GLU A 35 -9.182 15.510 7.878 1.00 0.00 O ATOM 0 H GLU A 35 -6.289 10.574 8.568 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.895 13.047 8.459 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.075 12.537 7.317 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.863 12.587 8.881 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.187 14.902 9.252 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.093 14.870 7.883 1.00 0.00 H new ATOM 590 N ASP A 36 -6.169 12.193 11.385 1.00 0.00 N ATOM 591 CA ASP A 36 -6.147 12.538 12.799 1.00 0.00 C ATOM 592 C ASP A 36 -4.722 12.492 13.333 1.00 0.00 C ATOM 593 O ASP A 36 -4.303 13.397 14.056 1.00 0.00 O ATOM 594 CB ASP A 36 -7.012 11.587 13.633 1.00 0.00 C ATOM 595 CG ASP A 36 -6.831 11.918 15.117 1.00 0.00 C ATOM 596 OD1 ASP A 36 -7.318 12.981 15.559 1.00 0.00 O ATOM 597 OD2 ASP A 36 -6.167 11.136 15.841 1.00 0.00 O ATOM 0 H ASP A 36 -6.630 11.307 11.177 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.552 13.546 12.886 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.060 11.686 13.351 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.727 10.553 13.441 1.00 0.00 H new ATOM 602 N SER A 37 -3.978 11.449 12.969 1.00 0.00 N ATOM 603 CA SER A 37 -2.614 11.222 13.401 1.00 0.00 C ATOM 604 C SER A 37 -1.650 12.235 12.788 1.00 0.00 C ATOM 605 O SER A 37 -0.557 12.428 13.322 1.00 0.00 O ATOM 606 CB SER A 37 -2.241 9.759 13.097 1.00 0.00 C ATOM 607 OG SER A 37 -1.100 9.304 13.800 1.00 0.00 O ATOM 0 H SER A 37 -4.325 10.720 12.346 1.00 0.00 H new ATOM 0 HA SER A 37 -2.532 11.378 14.477 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.088 9.119 13.344 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.063 9.654 12.027 1.00 0.00 H new ATOM 0 HG SER A 37 -0.920 8.370 13.563 1.00 0.00 H new ATOM 613 N GLY A 38 -2.044 12.936 11.719 1.00 0.00 N ATOM 614 CA GLY A 38 -1.164 13.910 11.100 1.00 0.00 C ATOM 615 C GLY A 38 -0.070 13.228 10.276 1.00 0.00 C ATOM 616 O GLY A 38 1.020 13.786 10.118 1.00 0.00 O ATOM 0 H GLY A 38 -2.958 12.843 11.275 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -1.745 14.572 10.459 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.708 14.532 11.870 1.00 0.00 H new ATOM 620 N LEU A 39 -0.347 12.014 9.786 1.00 0.00 N ATOM 621 CA LEU A 39 0.517 11.168 8.978 1.00 0.00 C ATOM 622 C LEU A 39 -0.310 10.790 7.756 1.00 0.00 C ATOM 623 O LEU A 39 -1.320 10.116 7.921 1.00 0.00 O ATOM 624 CB LEU A 39 0.918 9.880 9.734 1.00 0.00 C ATOM 625 CG LEU A 39 1.705 10.050 11.047 1.00 0.00 C ATOM 626 CD1 LEU A 39 1.997 8.666 11.639 1.00 0.00 C ATOM 627 CD2 LEU A 39 3.029 10.788 10.831 1.00 0.00 C ATOM 0 H LEU A 39 -1.249 11.571 9.961 1.00 0.00 H new ATOM 0 HA LEU A 39 1.438 11.692 8.724 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.009 9.321 9.955 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.514 9.265 9.060 1.00 0.00 H new ATOM 0 HG LEU A 39 1.095 10.645 11.727 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.554 8.778 12.569 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.058 8.150 11.839 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.587 8.084 10.931 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.551 10.886 11.783 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.649 10.226 10.133 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.831 11.779 10.423 1.00 0.00 H new ATOM 639 N THR A 40 0.062 11.229 6.552 1.00 0.00 N ATOM 640 CA THR A 40 -0.663 10.916 5.318 1.00 0.00 C ATOM 641 C THR A 40 -0.861 9.397 5.206 1.00 0.00 C ATOM 642 O THR A 40 -0.056 8.629 5.727 1.00 0.00 O ATOM 643 CB THR A 40 0.083 11.527 4.113 1.00 0.00 C ATOM 644 OG1 THR A 40 -0.591 11.252 2.898 1.00 0.00 O ATOM 645 CG2 THR A 40 1.522 11.017 3.972 1.00 0.00 C ATOM 0 H THR A 40 0.882 11.817 6.404 1.00 0.00 H new ATOM 0 HA THR A 40 -1.658 11.361 5.331 1.00 0.00 H new ATOM 0 HB THR A 40 0.107 12.599 4.309 1.00 0.00 H new ATOM 0 HG1 THR A 40 -0.097 11.652 2.152 1.00 0.00 H new ATOM 0 HG21 THR A 40 1.991 11.485 3.106 1.00 0.00 H new ATOM 0 HG22 THR A 40 2.087 11.268 4.870 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.513 9.935 3.839 1.00 0.00 H new ATOM 653 N VAL A 41 -1.886 8.944 4.480 1.00 0.00 N ATOM 654 CA VAL A 41 -2.229 7.539 4.286 1.00 0.00 C ATOM 655 C VAL A 41 -1.002 6.692 3.929 1.00 0.00 C ATOM 656 O VAL A 41 -0.860 5.593 4.461 1.00 0.00 O ATOM 657 CB VAL A 41 -3.383 7.452 3.263 1.00 0.00 C ATOM 658 CG1 VAL A 41 -3.682 6.022 2.792 1.00 0.00 C ATOM 659 CG2 VAL A 41 -4.671 8.046 3.857 1.00 0.00 C ATOM 0 H VAL A 41 -2.523 9.574 3.993 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.583 7.105 5.221 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.050 8.023 2.397 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.503 6.039 2.076 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.795 5.602 2.317 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.960 5.408 3.648 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.475 7.977 3.124 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.948 7.491 4.753 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.504 9.092 4.115 1.00 0.00 H new ATOM 669 N SER A 42 -0.101 7.167 3.063 1.00 0.00 N ATOM 670 CA SER A 42 1.086 6.392 2.706 1.00 0.00 C ATOM 671 C SER A 42 1.992 6.181 3.934 1.00 0.00 C ATOM 672 O SER A 42 2.418 5.056 4.207 1.00 0.00 O ATOM 673 CB SER A 42 1.831 7.057 1.536 1.00 0.00 C ATOM 674 OG SER A 42 1.949 8.459 1.716 1.00 0.00 O ATOM 0 H SER A 42 -0.171 8.074 2.602 1.00 0.00 H new ATOM 0 HA SER A 42 0.774 5.403 2.370 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.824 6.618 1.441 1.00 0.00 H new ATOM 0 HB3 SER A 42 1.302 6.853 0.605 1.00 0.00 H new ATOM 0 HG SER A 42 2.429 8.847 0.955 1.00 0.00 H new ATOM 680 N ALA A 43 2.284 7.259 4.672 1.00 0.00 N ATOM 681 CA ALA A 43 3.099 7.245 5.880 1.00 0.00 C ATOM 682 C ALA A 43 2.424 6.380 6.940 1.00 0.00 C ATOM 683 O ALA A 43 3.091 5.563 7.560 1.00 0.00 O ATOM 684 CB ALA A 43 3.316 8.655 6.437 1.00 0.00 C ATOM 0 H ALA A 43 1.946 8.191 4.432 1.00 0.00 H new ATOM 0 HA ALA A 43 4.074 6.833 5.620 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.928 8.600 7.337 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.822 9.267 5.691 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.352 9.102 6.680 1.00 0.00 H new ATOM 690 N TYR A 44 1.115 6.545 7.136 1.00 0.00 N ATOM 691 CA TYR A 44 0.314 5.799 8.090 1.00 0.00 C ATOM 692 C TYR A 44 0.491 4.301 7.819 1.00 0.00 C ATOM 693 O TYR A 44 0.831 3.546 8.723 1.00 0.00 O ATOM 694 CB TYR A 44 -1.142 6.261 7.992 1.00 0.00 C ATOM 695 CG TYR A 44 -2.054 5.565 8.973 1.00 0.00 C ATOM 696 CD1 TYR A 44 -2.219 6.078 10.274 1.00 0.00 C ATOM 697 CD2 TYR A 44 -2.723 4.391 8.586 1.00 0.00 C ATOM 698 CE1 TYR A 44 -3.054 5.413 11.187 1.00 0.00 C ATOM 699 CE2 TYR A 44 -3.581 3.741 9.485 1.00 0.00 C ATOM 700 CZ TYR A 44 -3.742 4.242 10.795 1.00 0.00 C ATOM 701 OH TYR A 44 -4.596 3.619 11.648 1.00 0.00 O ATOM 0 H TYR A 44 0.569 7.229 6.612 1.00 0.00 H new ATOM 0 HA TYR A 44 0.638 5.984 9.114 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.187 7.336 8.164 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.505 6.084 6.980 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -1.705 6.981 10.569 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.576 3.989 7.595 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -3.171 5.797 12.190 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -4.119 2.857 9.175 1.00 0.00 H new ATOM 0 HH TYR A 44 -4.856 2.751 11.274 1.00 0.00 H new ATOM 711 N ILE A 45 0.324 3.883 6.559 1.00 0.00 N ATOM 712 CA ILE A 45 0.468 2.495 6.128 1.00 0.00 C ATOM 713 C ILE A 45 1.856 1.959 6.498 1.00 0.00 C ATOM 714 O ILE A 45 1.963 1.027 7.291 1.00 0.00 O ATOM 715 CB ILE A 45 0.157 2.375 4.609 1.00 0.00 C ATOM 716 CG1 ILE A 45 -1.357 2.491 4.322 1.00 0.00 C ATOM 717 CG2 ILE A 45 0.719 1.087 3.979 1.00 0.00 C ATOM 718 CD1 ILE A 45 -2.152 1.227 4.651 1.00 0.00 C ATOM 0 H ILE A 45 0.080 4.516 5.798 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.255 1.871 6.653 1.00 0.00 H new ATOM 0 HB ILE A 45 0.667 3.216 4.139 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.763 3.323 4.898 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.499 2.733 3.269 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.469 1.062 2.918 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.802 1.067 4.097 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.284 0.219 4.475 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.205 1.390 4.422 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -1.775 0.395 4.056 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -2.043 0.994 5.710 1.00 0.00 H new ATOM 730 N ARG A 46 2.929 2.527 5.934 1.00 0.00 N ATOM 731 CA ARG A 46 4.289 2.056 6.211 1.00 0.00 C ATOM 732 C ARG A 46 4.597 2.059 7.708 1.00 0.00 C ATOM 733 O ARG A 46 5.210 1.118 8.192 1.00 0.00 O ATOM 734 CB ARG A 46 5.334 2.817 5.367 1.00 0.00 C ATOM 735 CG ARG A 46 5.530 4.284 5.782 1.00 0.00 C ATOM 736 CD ARG A 46 6.338 5.081 4.756 1.00 0.00 C ATOM 737 NE ARG A 46 6.790 6.384 5.284 1.00 0.00 N ATOM 738 CZ ARG A 46 7.764 7.134 4.749 1.00 0.00 C ATOM 739 NH1 ARG A 46 8.415 6.734 3.661 1.00 0.00 N ATOM 740 NH2 ARG A 46 8.092 8.295 5.317 1.00 0.00 N ATOM 0 H ARG A 46 2.881 3.312 5.284 1.00 0.00 H new ATOM 0 HA ARG A 46 4.352 1.013 5.900 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.290 2.299 5.440 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.033 2.784 4.320 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.555 4.753 5.916 1.00 0.00 H new ATOM 0 HG3 ARG A 46 6.037 4.321 6.746 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.205 4.497 4.447 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.730 5.244 3.866 1.00 0.00 H new ATOM 0 HE ARG A 46 6.326 6.741 6.119 1.00 0.00 H new ATOM 0 HH11 ARG A 46 8.176 5.845 3.221 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.154 7.316 3.266 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.603 8.609 6.155 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.832 8.869 4.914 1.00 0.00 H new ATOM 754 N ASN A 47 4.181 3.092 8.435 1.00 0.00 N ATOM 755 CA ASN A 47 4.404 3.216 9.865 1.00 0.00 C ATOM 756 C ASN A 47 3.747 2.068 10.620 1.00 0.00 C ATOM 757 O ASN A 47 4.437 1.385 11.376 1.00 0.00 O ATOM 758 CB ASN A 47 3.885 4.580 10.333 1.00 0.00 C ATOM 759 CG ASN A 47 3.990 4.728 11.835 1.00 0.00 C ATOM 760 OD1 ASN A 47 5.074 4.903 12.375 1.00 0.00 O ATOM 761 ND2 ASN A 47 2.877 4.713 12.537 1.00 0.00 N ATOM 0 H ASN A 47 3.670 3.879 8.035 1.00 0.00 H new ATOM 0 HA ASN A 47 5.472 3.157 10.077 1.00 0.00 H new ATOM 0 HB2 ASN A 47 4.454 5.373 9.848 1.00 0.00 H new ATOM 0 HB3 ASN A 47 2.846 4.700 10.026 1.00 0.00 H new ATOM 0 HD21 ASN A 47 2.909 4.849 13.547 1.00 0.00 H new ATOM 0 HD22 ASN A 47 1.982 4.566 12.071 1.00 0.00 H new ATOM 768 N ALA A 48 2.451 1.846 10.397 1.00 0.00 N ATOM 769 CA ALA A 48 1.690 0.790 11.054 1.00 0.00 C ATOM 770 C ALA A 48 2.197 -0.608 10.688 1.00 0.00 C ATOM 771 O ALA A 48 2.131 -1.522 11.502 1.00 0.00 O ATOM 772 CB ALA A 48 0.209 0.930 10.675 1.00 0.00 C ATOM 0 H ALA A 48 1.896 2.403 9.747 1.00 0.00 H new ATOM 0 HA ALA A 48 1.818 0.902 12.131 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.367 0.144 11.162 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -0.159 1.903 10.999 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.100 0.842 9.594 1.00 0.00 H new ATOM 778 N ALA A 49 2.709 -0.785 9.468 1.00 0.00 N ATOM 779 CA ALA A 49 3.209 -2.074 9.003 1.00 0.00 C ATOM 780 C ALA A 49 4.543 -2.473 9.639 1.00 0.00 C ATOM 781 O ALA A 49 4.852 -3.659 9.718 1.00 0.00 O ATOM 782 CB ALA A 49 3.378 -2.014 7.484 1.00 0.00 C ATOM 0 H ALA A 49 2.787 -0.038 8.778 1.00 0.00 H new ATOM 0 HA ALA A 49 2.480 -2.829 9.298 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.752 -2.972 7.121 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.416 -1.800 7.019 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.087 -1.227 7.228 1.00 0.00 H new ATOM 788 N LEU A 50 5.371 -1.502 10.024 1.00 0.00 N ATOM 789 CA LEU A 50 6.675 -1.765 10.635 1.00 0.00 C ATOM 790 C LEU A 50 6.562 -1.804 12.149 1.00 0.00 C ATOM 791 O LEU A 50 7.296 -2.557 12.799 1.00 0.00 O ATOM 792 CB LEU A 50 7.658 -0.653 10.263 1.00 0.00 C ATOM 793 CG LEU A 50 7.878 -0.510 8.750 1.00 0.00 C ATOM 794 CD1 LEU A 50 8.415 0.895 8.497 1.00 0.00 C ATOM 795 CD2 LEU A 50 8.831 -1.558 8.181 1.00 0.00 C ATOM 0 H LEU A 50 5.157 -0.510 9.921 1.00 0.00 H new ATOM 0 HA LEU A 50 7.028 -2.728 10.267 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.291 0.293 10.660 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.616 -0.850 10.744 1.00 0.00 H new ATOM 0 HG LEU A 50 6.928 -0.671 8.241 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.584 1.033 7.429 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.691 1.630 8.848 1.00 0.00 H new ATOM 0 HD13 LEU A 50 9.355 1.027 9.033 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.944 -1.402 7.108 1.00 0.00 H new ATOM 0 HD22 LEU A 50 9.803 -1.467 8.665 1.00 0.00 H new ATOM 0 HD23 LEU A 50 8.427 -2.554 8.363 1.00 0.00 H new ATOM 807 N ASN A 51 5.678 -0.971 12.695 1.00 0.00 N ATOM 808 CA ASN A 51 5.423 -0.862 14.125 1.00 0.00 C ATOM 809 C ASN A 51 4.099 -1.540 14.441 1.00 0.00 C ATOM 810 O ASN A 51 3.973 -2.753 14.172 1.00 0.00 O ATOM 811 CB ASN A 51 5.450 0.603 14.590 1.00 0.00 C ATOM 812 CG ASN A 51 6.723 1.328 14.225 1.00 0.00 C ATOM 813 OD1 ASN A 51 7.712 1.300 14.958 1.00 0.00 O ATOM 814 ND2 ASN A 51 6.750 1.942 13.057 1.00 0.00 N ATOM 0 H ASN A 51 5.105 -0.337 12.137 1.00 0.00 H new ATOM 0 HA ASN A 51 6.216 -1.368 14.676 1.00 0.00 H new ATOM 0 HB2 ASN A 51 4.603 1.130 14.152 1.00 0.00 H new ATOM 0 HB3 ASN A 51 5.321 0.635 15.672 1.00 0.00 H new ATOM 0 HD21 ASN A 51 7.603 2.407 12.745 1.00 0.00 H new ATOM 0 HD22 ASN A 51 5.918 1.952 12.467 1.00 0.00 H new ATOM 1055 N THR B 15 -13.869 0.731 -4.055 1.00 0.00 N ATOM 1056 CA THR B 15 -12.539 0.319 -3.672 1.00 0.00 C ATOM 1057 C THR B 15 -11.590 1.484 -3.959 1.00 0.00 C ATOM 1058 O THR B 15 -11.916 2.418 -4.698 1.00 0.00 O ATOM 1059 CB THR B 15 -12.188 -0.943 -4.485 1.00 0.00 C ATOM 1060 OG1 THR B 15 -11.193 -1.752 -3.905 1.00 0.00 O ATOM 1061 CG2 THR B 15 -11.785 -0.652 -5.936 1.00 0.00 C ATOM 0 HA THR B 15 -12.460 0.072 -2.613 1.00 0.00 H new ATOM 0 HB THR B 15 -13.129 -1.493 -4.477 1.00 0.00 H new ATOM 0 HG1 THR B 15 -10.971 -1.409 -3.014 1.00 0.00 H new ATOM 0 HG21 THR B 15 -11.553 -1.588 -6.444 1.00 0.00 H new ATOM 0 HG22 THR B 15 -12.608 -0.155 -6.450 1.00 0.00 H new ATOM 0 HG23 THR B 15 -10.907 -0.006 -5.947 1.00 0.00 H new ATOM 1069 N VAL B 16 -10.394 1.402 -3.406 1.00 0.00 N ATOM 1070 CA VAL B 16 -9.321 2.370 -3.567 1.00 0.00 C ATOM 1071 C VAL B 16 -8.277 1.693 -4.448 1.00 0.00 C ATOM 1072 O VAL B 16 -8.192 0.463 -4.465 1.00 0.00 O ATOM 1073 CB VAL B 16 -8.736 2.731 -2.189 1.00 0.00 C ATOM 1074 CG1 VAL B 16 -7.684 3.846 -2.267 1.00 0.00 C ATOM 1075 CG2 VAL B 16 -9.833 3.181 -1.220 1.00 0.00 C ATOM 0 H VAL B 16 -10.130 0.622 -2.804 1.00 0.00 H new ATOM 0 HA VAL B 16 -9.668 3.299 -4.021 1.00 0.00 H new ATOM 0 HB VAL B 16 -8.260 1.820 -1.826 1.00 0.00 H new ATOM 0 HG11 VAL B 16 -7.306 4.060 -1.267 1.00 0.00 H new ATOM 0 HG12 VAL B 16 -6.861 3.526 -2.906 1.00 0.00 H new ATOM 0 HG13 VAL B 16 -8.137 4.746 -2.683 1.00 0.00 H new ATOM 0 HG21 VAL B 16 -9.388 3.429 -0.256 1.00 0.00 H new ATOM 0 HG22 VAL B 16 -10.337 4.059 -1.623 1.00 0.00 H new ATOM 0 HG23 VAL B 16 -10.556 2.376 -1.089 1.00 0.00 H new ATOM 1085 N VAL B 17 -7.480 2.467 -5.177 1.00 0.00 N ATOM 1086 CA VAL B 17 -6.441 1.926 -6.028 1.00 0.00 C ATOM 1087 C VAL B 17 -5.314 2.957 -6.104 1.00 0.00 C ATOM 1088 O VAL B 17 -5.410 4.001 -6.761 1.00 0.00 O ATOM 1089 CB VAL B 17 -7.055 1.446 -7.356 1.00 0.00 C ATOM 1090 CG1 VAL B 17 -7.496 2.569 -8.295 1.00 0.00 C ATOM 1091 CG2 VAL B 17 -6.095 0.491 -8.070 1.00 0.00 C ATOM 0 H VAL B 17 -7.541 3.485 -5.191 1.00 0.00 H new ATOM 0 HA VAL B 17 -5.976 1.024 -5.630 1.00 0.00 H new ATOM 0 HB VAL B 17 -7.971 0.921 -7.085 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -7.916 2.139 -9.204 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -8.251 3.181 -7.801 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -6.636 3.189 -8.550 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -6.542 0.159 -9.007 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -5.157 1.006 -8.277 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -5.902 -0.373 -7.434 1.00 0.00 H new ATOM 1101 N ARG B 18 -4.235 2.696 -5.375 1.00 0.00 N ATOM 1102 CA ARG B 18 -3.075 3.587 -5.342 1.00 0.00 C ATOM 1103 C ARG B 18 -1.803 2.770 -5.179 1.00 0.00 C ATOM 1104 O ARG B 18 -1.839 1.662 -4.639 1.00 0.00 O ATOM 1105 CB ARG B 18 -3.246 4.629 -4.216 1.00 0.00 C ATOM 1106 CG ARG B 18 -2.088 5.638 -4.174 1.00 0.00 C ATOM 1107 CD ARG B 18 -2.277 6.739 -3.139 1.00 0.00 C ATOM 1108 NE ARG B 18 -3.348 7.672 -3.517 1.00 0.00 N ATOM 1109 CZ ARG B 18 -3.312 9.004 -3.432 1.00 0.00 C ATOM 1110 NH1 ARG B 18 -2.214 9.641 -3.040 1.00 0.00 N ATOM 1111 NH2 ARG B 18 -4.400 9.688 -3.742 1.00 0.00 N ATOM 0 H ARG B 18 -4.137 1.865 -4.792 1.00 0.00 H new ATOM 0 HA ARG B 18 -2.997 4.132 -6.283 1.00 0.00 H new ATOM 0 HB2 ARG B 18 -4.185 5.163 -4.358 1.00 0.00 H new ATOM 0 HB3 ARG B 18 -3.313 4.116 -3.257 1.00 0.00 H new ATOM 0 HG2 ARG B 18 -1.161 5.106 -3.961 1.00 0.00 H new ATOM 0 HG3 ARG B 18 -1.976 6.092 -5.159 1.00 0.00 H new ATOM 0 HD2 ARG B 18 -2.510 6.292 -2.173 1.00 0.00 H new ATOM 0 HD3 ARG B 18 -1.343 7.288 -3.019 1.00 0.00 H new ATOM 0 HE ARG B 18 -4.207 7.260 -3.882 1.00 0.00 H new ATOM 0 HH11 ARG B 18 -1.377 9.112 -2.797 1.00 0.00 H new ATOM 0 HH12 ARG B 18 -2.208 10.659 -2.982 1.00 0.00 H new ATOM 0 HH21 ARG B 18 -5.244 9.197 -4.039 1.00 0.00 H new ATOM 0 HH22 ARG B 18 -4.396 10.706 -3.684 1.00 0.00 H new ATOM 1125 N THR B 19 -0.700 3.319 -5.679 1.00 0.00 N ATOM 1126 CA THR B 19 0.625 2.736 -5.630 1.00 0.00 C ATOM 1127 C THR B 19 1.367 3.338 -4.436 1.00 0.00 C ATOM 1128 O THR B 19 1.238 4.536 -4.158 1.00 0.00 O ATOM 1129 CB THR B 19 1.368 3.048 -6.942 1.00 0.00 C ATOM 1130 OG1 THR B 19 0.548 2.832 -8.076 1.00 0.00 O ATOM 1131 CG2 THR B 19 2.619 2.189 -7.123 1.00 0.00 C ATOM 0 H THR B 19 -0.713 4.224 -6.150 1.00 0.00 H new ATOM 0 HA THR B 19 0.568 1.653 -5.516 1.00 0.00 H new ATOM 0 HB THR B 19 1.647 4.099 -6.865 1.00 0.00 H new ATOM 0 HG1 THR B 19 0.293 1.887 -8.120 1.00 0.00 H new ATOM 0 HG21 THR B 19 3.106 2.449 -8.063 1.00 0.00 H new ATOM 0 HG22 THR B 19 3.307 2.369 -6.297 1.00 0.00 H new ATOM 0 HG23 THR B 19 2.338 1.136 -7.138 1.00 0.00 H new ATOM 1139 N LEU B 20 2.129 2.516 -3.719 1.00 0.00 N ATOM 1140 CA LEU B 20 2.934 2.920 -2.575 1.00 0.00 C ATOM 1141 C LEU B 20 4.378 2.518 -2.881 1.00 0.00 C ATOM 1142 O LEU B 20 4.651 1.734 -3.797 1.00 0.00 O ATOM 1143 CB LEU B 20 2.465 2.275 -1.257 1.00 0.00 C ATOM 1144 CG LEU B 20 1.036 2.601 -0.783 1.00 0.00 C ATOM 1145 CD1 LEU B 20 0.744 1.837 0.510 1.00 0.00 C ATOM 1146 CD2 LEU B 20 0.848 4.089 -0.480 1.00 0.00 C ATOM 0 H LEU B 20 2.204 1.520 -3.927 1.00 0.00 H new ATOM 0 HA LEU B 20 2.837 3.996 -2.429 1.00 0.00 H new ATOM 0 HB2 LEU B 20 2.547 1.193 -1.362 1.00 0.00 H new ATOM 0 HB3 LEU B 20 3.158 2.572 -0.470 1.00 0.00 H new ATOM 0 HG LEU B 20 0.362 2.314 -1.590 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -0.267 2.066 0.848 1.00 0.00 H new ATOM 0 HD12 LEU B 20 0.832 0.766 0.327 1.00 0.00 H new ATOM 0 HD13 LEU B 20 1.459 2.134 1.277 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -0.175 4.267 -0.150 1.00 0.00 H new ATOM 0 HD22 LEU B 20 1.540 4.391 0.306 1.00 0.00 H new ATOM 0 HD23 LEU B 20 1.045 4.671 -1.380 1.00 0.00 H new ATOM 1158 N ARG B 21 5.297 3.064 -2.093 1.00 0.00 N ATOM 1159 CA ARG B 21 6.734 2.847 -2.158 1.00 0.00 C ATOM 1160 C ARG B 21 7.211 2.388 -0.789 1.00 0.00 C ATOM 1161 O ARG B 21 6.698 2.854 0.238 1.00 0.00 O ATOM 1162 CB ARG B 21 7.465 4.135 -2.581 1.00 0.00 C ATOM 1163 CG ARG B 21 7.401 4.432 -4.088 1.00 0.00 C ATOM 1164 CD ARG B 21 8.238 3.432 -4.897 1.00 0.00 C ATOM 1165 NE ARG B 21 8.998 4.037 -6.002 1.00 0.00 N ATOM 1166 CZ ARG B 21 10.080 4.822 -5.936 1.00 0.00 C ATOM 1167 NH1 ARG B 21 10.565 5.282 -4.782 1.00 0.00 N ATOM 1168 NH2 ARG B 21 10.705 5.121 -7.063 1.00 0.00 N ATOM 0 H ARG B 21 5.041 3.710 -1.346 1.00 0.00 H new ATOM 0 HA ARG B 21 6.956 2.085 -2.905 1.00 0.00 H new ATOM 0 HB2 ARG B 21 7.036 4.977 -2.038 1.00 0.00 H new ATOM 0 HB3 ARG B 21 8.510 4.061 -2.281 1.00 0.00 H new ATOM 0 HG2 ARG B 21 6.364 4.395 -4.423 1.00 0.00 H new ATOM 0 HG3 ARG B 21 7.760 5.444 -4.276 1.00 0.00 H new ATOM 0 HD2 ARG B 21 8.934 2.930 -4.225 1.00 0.00 H new ATOM 0 HD3 ARG B 21 7.577 2.666 -5.302 1.00 0.00 H new ATOM 0 HE ARG B 21 8.656 3.831 -6.941 1.00 0.00 H new ATOM 0 HH11 ARG B 21 10.108 5.038 -3.903 1.00 0.00 H new ATOM 0 HH12 ARG B 21 11.393 5.878 -4.778 1.00 0.00 H new ATOM 0 HH21 ARG B 21 10.359 4.755 -7.950 1.00 0.00 H new ATOM 0 HH22 ARG B 21 11.532 5.717 -7.045 1.00 0.00 H new ATOM 1182 N PHE B 22 8.188 1.488 -0.773 1.00 0.00 N ATOM 1183 CA PHE B 22 8.774 0.938 0.441 1.00 0.00 C ATOM 1184 C PHE B 22 10.257 0.814 0.152 1.00 0.00 C ATOM 1185 O PHE B 22 10.639 0.519 -0.979 1.00 0.00 O ATOM 1186 CB PHE B 22 8.148 -0.416 0.811 1.00 0.00 C ATOM 1187 CG PHE B 22 6.668 -0.346 1.153 1.00 0.00 C ATOM 1188 CD1 PHE B 22 6.246 -0.118 2.481 1.00 0.00 C ATOM 1189 CD2 PHE B 22 5.705 -0.492 0.133 1.00 0.00 C ATOM 1190 CE1 PHE B 22 4.875 -0.050 2.783 1.00 0.00 C ATOM 1191 CE2 PHE B 22 4.336 -0.398 0.438 1.00 0.00 C ATOM 1192 CZ PHE B 22 3.917 -0.181 1.763 1.00 0.00 C ATOM 0 H PHE B 22 8.604 1.112 -1.625 1.00 0.00 H new ATOM 0 HA PHE B 22 8.589 1.581 1.302 1.00 0.00 H new ATOM 0 HB2 PHE B 22 8.285 -1.106 -0.021 1.00 0.00 H new ATOM 0 HB3 PHE B 22 8.687 -0.832 1.662 1.00 0.00 H new ATOM 0 HD1 PHE B 22 6.978 0.004 3.266 1.00 0.00 H new ATOM 0 HD2 PHE B 22 6.020 -0.676 -0.884 1.00 0.00 H new ATOM 0 HE1 PHE B 22 4.556 0.104 3.803 1.00 0.00 H new ATOM 0 HE2 PHE B 22 3.602 -0.493 -0.349 1.00 0.00 H new ATOM 0 HZ PHE B 22 2.864 -0.115 1.995 1.00 0.00 H new ATOM 1202 N SER B 23 11.083 1.097 1.147 1.00 0.00 N ATOM 1203 CA SER B 23 12.532 1.035 1.021 1.00 0.00 C ATOM 1204 C SER B 23 12.986 -0.426 1.139 1.00 0.00 C ATOM 1205 O SER B 23 12.229 -1.232 1.672 1.00 0.00 O ATOM 1206 CB SER B 23 13.108 1.897 2.153 1.00 0.00 C ATOM 1207 OG SER B 23 12.402 3.126 2.239 1.00 0.00 O ATOM 0 H SER B 23 10.764 1.379 2.074 1.00 0.00 H new ATOM 0 HA SER B 23 12.879 1.407 0.057 1.00 0.00 H new ATOM 0 HB2 SER B 23 13.038 1.362 3.100 1.00 0.00 H new ATOM 0 HB3 SER B 23 14.166 2.088 1.973 1.00 0.00 H new ATOM 0 HG SER B 23 11.642 3.025 2.850 1.00 0.00 H new ATOM 1213 N PRO B 24 14.226 -0.784 0.761 1.00 0.00 N ATOM 1214 CA PRO B 24 14.721 -2.164 0.853 1.00 0.00 C ATOM 1215 C PRO B 24 14.880 -2.654 2.301 1.00 0.00 C ATOM 1216 O PRO B 24 15.282 -3.794 2.538 1.00 0.00 O ATOM 1217 CB PRO B 24 16.068 -2.156 0.128 1.00 0.00 C ATOM 1218 CG PRO B 24 16.526 -0.714 0.281 1.00 0.00 C ATOM 1219 CD PRO B 24 15.225 0.065 0.137 1.00 0.00 C ATOM 0 HA PRO B 24 14.007 -2.855 0.405 1.00 0.00 H new ATOM 0 HB2 PRO B 24 16.774 -2.854 0.578 1.00 0.00 H new ATOM 0 HB3 PRO B 24 15.965 -2.438 -0.920 1.00 0.00 H new ATOM 0 HG2 PRO B 24 16.998 -0.539 1.248 1.00 0.00 H new ATOM 0 HG3 PRO B 24 17.252 -0.436 -0.483 1.00 0.00 H new ATOM 0 HD2 PRO B 24 15.286 1.035 0.630 1.00 0.00 H new ATOM 0 HD3 PRO B 24 14.988 0.254 -0.910 1.00 0.00 H new ATOM 1227 N VAL B 25 14.668 -1.773 3.273 1.00 0.00 N ATOM 1228 CA VAL B 25 14.740 -2.038 4.696 1.00 0.00 C ATOM 1229 C VAL B 25 13.307 -2.367 5.108 1.00 0.00 C ATOM 1230 O VAL B 25 13.030 -3.487 5.520 1.00 0.00 O ATOM 1231 CB VAL B 25 15.333 -0.797 5.399 1.00 0.00 C ATOM 1232 CG1 VAL B 25 15.224 -0.867 6.928 1.00 0.00 C ATOM 1233 CG2 VAL B 25 16.805 -0.605 5.001 1.00 0.00 C ATOM 0 H VAL B 25 14.428 -0.802 3.072 1.00 0.00 H new ATOM 0 HA VAL B 25 15.390 -2.868 4.973 1.00 0.00 H new ATOM 0 HB VAL B 25 14.741 0.056 5.067 1.00 0.00 H new ATOM 0 HG11 VAL B 25 15.657 0.033 7.365 1.00 0.00 H new ATOM 0 HG12 VAL B 25 14.175 -0.941 7.215 1.00 0.00 H new ATOM 0 HG13 VAL B 25 15.762 -1.742 7.291 1.00 0.00 H new ATOM 0 HG21 VAL B 25 17.207 0.274 5.505 1.00 0.00 H new ATOM 0 HG22 VAL B 25 17.379 -1.485 5.293 1.00 0.00 H new ATOM 0 HG23 VAL B 25 16.875 -0.468 3.922 1.00 0.00 H new ATOM 1243 N GLU B 26 12.411 -1.394 4.928 1.00 0.00 N ATOM 1244 CA GLU B 26 10.994 -1.461 5.250 1.00 0.00 C ATOM 1245 C GLU B 26 10.340 -2.675 4.590 1.00 0.00 C ATOM 1246 O GLU B 26 9.619 -3.420 5.244 1.00 0.00 O ATOM 1247 CB GLU B 26 10.310 -0.159 4.785 1.00 0.00 C ATOM 1248 CG GLU B 26 10.915 1.111 5.414 1.00 0.00 C ATOM 1249 CD GLU B 26 10.397 2.408 4.785 1.00 0.00 C ATOM 1250 OE1 GLU B 26 10.242 2.470 3.540 1.00 0.00 O ATOM 1251 OE2 GLU B 26 10.258 3.415 5.519 1.00 0.00 O ATOM 0 H GLU B 26 12.674 -0.492 4.532 1.00 0.00 H new ATOM 0 HA GLU B 26 10.878 -1.569 6.328 1.00 0.00 H new ATOM 0 HB2 GLU B 26 10.382 -0.087 3.700 1.00 0.00 H new ATOM 0 HB3 GLU B 26 9.249 -0.207 5.031 1.00 0.00 H new ATOM 0 HG2 GLU B 26 10.693 1.120 6.481 1.00 0.00 H new ATOM 0 HG3 GLU B 26 12.000 1.076 5.314 1.00 0.00 H new ATOM 1258 N ASP B 27 10.595 -2.866 3.298 1.00 0.00 N ATOM 1259 CA ASP B 27 10.063 -3.960 2.499 1.00 0.00 C ATOM 1260 C ASP B 27 10.501 -5.309 3.021 1.00 0.00 C ATOM 1261 O ASP B 27 9.664 -6.187 3.187 1.00 0.00 O ATOM 1262 CB ASP B 27 10.578 -3.845 1.068 1.00 0.00 C ATOM 1263 CG ASP B 27 10.203 -5.087 0.252 1.00 0.00 C ATOM 1264 OD1 ASP B 27 8.995 -5.415 0.195 1.00 0.00 O ATOM 1265 OD2 ASP B 27 11.089 -5.655 -0.420 1.00 0.00 O ATOM 0 H ASP B 27 11.198 -2.241 2.763 1.00 0.00 H new ATOM 0 HA ASP B 27 8.976 -3.888 2.547 1.00 0.00 H new ATOM 0 HB2 ASP B 27 10.160 -2.955 0.597 1.00 0.00 H new ATOM 0 HB3 ASP B 27 11.661 -3.723 1.075 1.00 0.00 H new ATOM 1270 N GLU B 28 11.805 -5.476 3.241 1.00 0.00 N ATOM 1271 CA GLU B 28 12.357 -6.725 3.727 1.00 0.00 C ATOM 1272 C GLU B 28 11.734 -7.038 5.090 1.00 0.00 C ATOM 1273 O GLU B 28 11.332 -8.172 5.331 1.00 0.00 O ATOM 1274 CB GLU B 28 13.882 -6.592 3.766 1.00 0.00 C ATOM 1275 CG GLU B 28 14.606 -7.938 3.815 1.00 0.00 C ATOM 1276 CD GLU B 28 14.727 -8.608 2.437 1.00 0.00 C ATOM 1277 OE1 GLU B 28 15.444 -8.073 1.565 1.00 0.00 O ATOM 1278 OE2 GLU B 28 14.163 -9.715 2.244 1.00 0.00 O ATOM 0 H GLU B 28 12.501 -4.747 3.086 1.00 0.00 H new ATOM 0 HA GLU B 28 12.122 -7.564 3.072 1.00 0.00 H new ATOM 0 HB2 GLU B 28 14.214 -6.041 2.886 1.00 0.00 H new ATOM 0 HB3 GLU B 28 14.166 -6.003 4.638 1.00 0.00 H new ATOM 0 HG2 GLU B 28 15.603 -7.793 4.230 1.00 0.00 H new ATOM 0 HG3 GLU B 28 14.073 -8.606 4.492 1.00 0.00 H new ATOM 1285 N THR B 29 11.620 -6.036 5.966 1.00 0.00 N ATOM 1286 CA THR B 29 11.026 -6.200 7.281 1.00 0.00 C ATOM 1287 C THR B 29 9.584 -6.686 7.112 1.00 0.00 C ATOM 1288 O THR B 29 9.224 -7.723 7.669 1.00 0.00 O ATOM 1289 CB THR B 29 11.126 -4.871 8.051 1.00 0.00 C ATOM 1290 OG1 THR B 29 12.495 -4.586 8.294 1.00 0.00 O ATOM 1291 CG2 THR B 29 10.372 -4.898 9.383 1.00 0.00 C ATOM 0 H THR B 29 11.941 -5.087 5.775 1.00 0.00 H new ATOM 0 HA THR B 29 11.558 -6.949 7.867 1.00 0.00 H new ATOM 0 HB THR B 29 10.664 -4.098 7.437 1.00 0.00 H new ATOM 0 HG1 THR B 29 12.893 -4.187 7.492 1.00 0.00 H new ATOM 0 HG21 THR B 29 10.478 -3.934 9.881 1.00 0.00 H new ATOM 0 HG22 THR B 29 9.316 -5.097 9.199 1.00 0.00 H new ATOM 0 HG23 THR B 29 10.784 -5.682 10.018 1.00 0.00 H new ATOM 1299 N ILE B 30 8.767 -5.965 6.334 1.00 0.00 N ATOM 1300 CA ILE B 30 7.370 -6.316 6.101 1.00 0.00 C ATOM 1301 C ILE B 30 7.272 -7.714 5.490 1.00 0.00 C ATOM 1302 O ILE B 30 6.418 -8.488 5.899 1.00 0.00 O ATOM 1303 CB ILE B 30 6.657 -5.241 5.254 1.00 0.00 C ATOM 1304 CG1 ILE B 30 6.535 -3.925 6.051 1.00 0.00 C ATOM 1305 CG2 ILE B 30 5.260 -5.737 4.820 1.00 0.00 C ATOM 1306 CD1 ILE B 30 6.258 -2.714 5.155 1.00 0.00 C ATOM 0 H ILE B 30 9.063 -5.118 5.848 1.00 0.00 H new ATOM 0 HA ILE B 30 6.847 -6.344 7.057 1.00 0.00 H new ATOM 0 HB ILE B 30 7.251 -5.053 4.360 1.00 0.00 H new ATOM 0 HG12 ILE B 30 5.733 -4.021 6.783 1.00 0.00 H new ATOM 0 HG13 ILE B 30 7.456 -3.756 6.608 1.00 0.00 H new ATOM 0 HG21 ILE B 30 4.770 -4.968 4.223 1.00 0.00 H new ATOM 0 HG22 ILE B 30 5.365 -6.645 4.226 1.00 0.00 H new ATOM 0 HG23 ILE B 30 4.658 -5.949 5.704 1.00 0.00 H new ATOM 0 HD11 ILE B 30 6.182 -1.817 5.769 1.00 0.00 H new ATOM 0 HD12 ILE B 30 7.072 -2.596 4.440 1.00 0.00 H new ATOM 0 HD13 ILE B 30 5.322 -2.866 4.617 1.00 0.00 H new ATOM 1318 N ARG B 31 8.111 -8.048 4.510 1.00 0.00 N ATOM 1319 CA ARG B 31 8.119 -9.352 3.853 1.00 0.00 C ATOM 1320 C ARG B 31 8.303 -10.447 4.893 1.00 0.00 C ATOM 1321 O ARG B 31 7.543 -11.412 4.892 1.00 0.00 O ATOM 1322 CB ARG B 31 9.217 -9.366 2.774 1.00 0.00 C ATOM 1323 CG ARG B 31 9.458 -10.731 2.112 1.00 0.00 C ATOM 1324 CD ARG B 31 10.496 -10.559 0.995 1.00 0.00 C ATOM 1325 NE ARG B 31 10.847 -11.842 0.363 1.00 0.00 N ATOM 1326 CZ ARG B 31 12.067 -12.370 0.213 1.00 0.00 C ATOM 1327 NH1 ARG B 31 13.176 -11.767 0.643 1.00 0.00 N ATOM 1328 NH2 ARG B 31 12.200 -13.550 -0.383 1.00 0.00 N ATOM 0 H ARG B 31 8.816 -7.408 4.145 1.00 0.00 H new ATOM 0 HA ARG B 31 7.167 -9.541 3.356 1.00 0.00 H new ATOM 0 HB2 ARG B 31 8.954 -8.645 2.000 1.00 0.00 H new ATOM 0 HB3 ARG B 31 10.151 -9.026 3.222 1.00 0.00 H new ATOM 0 HG2 ARG B 31 9.812 -11.451 2.849 1.00 0.00 H new ATOM 0 HG3 ARG B 31 8.526 -11.123 1.705 1.00 0.00 H new ATOM 0 HD2 ARG B 31 10.105 -9.878 0.239 1.00 0.00 H new ATOM 0 HD3 ARG B 31 11.395 -10.099 1.404 1.00 0.00 H new ATOM 0 HE ARG B 31 10.070 -12.392 -0.003 1.00 0.00 H new ATOM 0 HH11 ARG B 31 13.116 -10.862 1.110 1.00 0.00 H new ATOM 0 HH12 ARG B 31 14.084 -12.211 0.505 1.00 0.00 H new ATOM 0 HH21 ARG B 31 11.376 -14.046 -0.722 1.00 0.00 H new ATOM 0 HH22 ARG B 31 13.126 -13.960 -0.502 1.00 0.00 H new ATOM 1342 N LYS B 32 9.299 -10.304 5.772 1.00 0.00 N ATOM 1343 CA LYS B 32 9.549 -11.310 6.793 1.00 0.00 C ATOM 1344 C LYS B 32 8.412 -11.350 7.799 1.00 0.00 C ATOM 1345 O LYS B 32 8.010 -12.447 8.161 1.00 0.00 O ATOM 1346 CB LYS B 32 10.905 -11.118 7.490 1.00 0.00 C ATOM 1347 CG LYS B 32 12.054 -11.801 6.734 1.00 0.00 C ATOM 1348 CD LYS B 32 12.541 -10.988 5.536 1.00 0.00 C ATOM 1349 CE LYS B 32 13.700 -11.657 4.801 1.00 0.00 C ATOM 1350 NZ LYS B 32 15.011 -11.415 5.431 1.00 0.00 N ATOM 0 H LYS B 32 9.936 -9.508 5.793 1.00 0.00 H new ATOM 0 HA LYS B 32 9.595 -12.274 6.287 1.00 0.00 H new ATOM 0 HB2 LYS B 32 11.116 -10.052 7.581 1.00 0.00 H new ATOM 0 HB3 LYS B 32 10.850 -11.519 8.502 1.00 0.00 H new ATOM 0 HG2 LYS B 32 12.886 -11.965 7.418 1.00 0.00 H new ATOM 0 HG3 LYS B 32 11.725 -12.782 6.392 1.00 0.00 H new ATOM 0 HD2 LYS B 32 11.713 -10.840 4.842 1.00 0.00 H new ATOM 0 HD3 LYS B 32 12.853 -10.000 5.875 1.00 0.00 H new ATOM 0 HE2 LYS B 32 13.520 -12.731 4.755 1.00 0.00 H new ATOM 0 HE3 LYS B 32 13.727 -11.294 3.773 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 15.753 -11.896 4.884 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 15.203 -10.393 5.452 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 15.003 -11.785 6.403 1.00 0.00 H new ATOM 1364 N LYS B 33 7.890 -10.208 8.259 1.00 0.00 N ATOM 1365 CA LYS B 33 6.799 -10.193 9.237 1.00 0.00 C ATOM 1366 C LYS B 33 5.547 -10.839 8.656 1.00 0.00 C ATOM 1367 O LYS B 33 4.895 -11.630 9.336 1.00 0.00 O ATOM 1368 CB LYS B 33 6.484 -8.762 9.705 1.00 0.00 C ATOM 1369 CG LYS B 33 7.574 -8.097 10.559 1.00 0.00 C ATOM 1370 CD LYS B 33 7.755 -8.786 11.916 1.00 0.00 C ATOM 1371 CE LYS B 33 8.825 -8.079 12.756 1.00 0.00 C ATOM 1372 NZ LYS B 33 8.293 -6.876 13.421 1.00 0.00 N ATOM 0 H LYS B 33 8.206 -9.282 7.969 1.00 0.00 H new ATOM 0 HA LYS B 33 7.126 -10.770 10.102 1.00 0.00 H new ATOM 0 HB2 LYS B 33 6.304 -8.141 8.827 1.00 0.00 H new ATOM 0 HB3 LYS B 33 5.557 -8.780 10.278 1.00 0.00 H new ATOM 0 HG2 LYS B 33 8.519 -8.116 10.016 1.00 0.00 H new ATOM 0 HG3 LYS B 33 7.319 -7.049 10.718 1.00 0.00 H new ATOM 0 HD2 LYS B 33 6.808 -8.788 12.455 1.00 0.00 H new ATOM 0 HD3 LYS B 33 8.038 -9.828 11.764 1.00 0.00 H new ATOM 0 HE2 LYS B 33 9.212 -8.768 13.507 1.00 0.00 H new ATOM 0 HE3 LYS B 33 9.663 -7.800 12.117 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 9.046 -6.426 13.979 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 7.947 -6.207 12.704 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 7.510 -7.145 14.050 1.00 0.00 H new ATOM 1386 N ALA B 34 5.217 -10.507 7.411 1.00 0.00 N ATOM 1387 CA ALA B 34 4.068 -11.025 6.693 1.00 0.00 C ATOM 1388 C ALA B 34 4.180 -12.546 6.598 1.00 0.00 C ATOM 1389 O ALA B 34 3.301 -13.264 7.075 1.00 0.00 O ATOM 1390 CB ALA B 34 4.017 -10.351 5.320 1.00 0.00 C ATOM 0 H ALA B 34 5.765 -9.846 6.860 1.00 0.00 H new ATOM 0 HA ALA B 34 3.136 -10.803 7.213 1.00 0.00 H new ATOM 0 HB1 ALA B 34 3.159 -10.726 4.762 1.00 0.00 H new ATOM 0 HB2 ALA B 34 3.923 -9.273 5.447 1.00 0.00 H new ATOM 0 HB3 ALA B 34 4.932 -10.573 4.771 1.00 0.00 H new ATOM 1396 N GLU B 35 5.287 -13.031 6.032 1.00 0.00 N ATOM 1397 CA GLU B 35 5.532 -14.451 5.842 1.00 0.00 C ATOM 1398 C GLU B 35 5.586 -15.209 7.175 1.00 0.00 C ATOM 1399 O GLU B 35 5.107 -16.345 7.262 1.00 0.00 O ATOM 1400 CB GLU B 35 6.804 -14.628 5.004 1.00 0.00 C ATOM 1401 CG GLU B 35 6.945 -16.101 4.630 1.00 0.00 C ATOM 1402 CD GLU B 35 8.157 -16.387 3.763 1.00 0.00 C ATOM 1403 OE1 GLU B 35 8.160 -16.023 2.568 1.00 0.00 O ATOM 1404 OE2 GLU B 35 9.072 -17.078 4.275 1.00 0.00 O ATOM 0 H GLU B 35 6.043 -12.437 5.691 1.00 0.00 H new ATOM 0 HA GLU B 35 4.697 -14.892 5.298 1.00 0.00 H new ATOM 0 HB2 GLU B 35 6.752 -14.014 4.105 1.00 0.00 H new ATOM 0 HB3 GLU B 35 7.676 -14.296 5.567 1.00 0.00 H new ATOM 0 HG2 GLU B 35 7.011 -16.695 5.541 1.00 0.00 H new ATOM 0 HG3 GLU B 35 6.046 -16.423 4.104 1.00 0.00 H new ATOM 1411 N ASP B 36 6.167 -14.600 8.208 1.00 0.00 N ATOM 1412 CA ASP B 36 6.289 -15.152 9.554 1.00 0.00 C ATOM 1413 C ASP B 36 4.890 -15.312 10.145 1.00 0.00 C ATOM 1414 O ASP B 36 4.586 -16.343 10.744 1.00 0.00 O ATOM 1415 CB ASP B 36 7.141 -14.218 10.415 1.00 0.00 C ATOM 1416 CG ASP B 36 7.082 -14.563 11.895 1.00 0.00 C ATOM 1417 OD1 ASP B 36 7.816 -15.483 12.313 1.00 0.00 O ATOM 1418 OD2 ASP B 36 6.395 -13.829 12.639 1.00 0.00 O ATOM 0 H ASP B 36 6.582 -13.672 8.125 1.00 0.00 H new ATOM 0 HA ASP B 36 6.777 -16.126 9.523 1.00 0.00 H new ATOM 0 HB2 ASP B 36 8.176 -14.263 10.077 1.00 0.00 H new ATOM 0 HB3 ASP B 36 6.804 -13.191 10.272 1.00 0.00 H new ATOM 1423 N SER B 37 4.019 -14.328 9.909 1.00 0.00 N ATOM 1424 CA SER B 37 2.646 -14.336 10.381 1.00 0.00 C ATOM 1425 C SER B 37 1.779 -15.254 9.499 1.00 0.00 C ATOM 1426 O SER B 37 0.633 -15.538 9.846 1.00 0.00 O ATOM 1427 CB SER B 37 2.122 -12.889 10.403 1.00 0.00 C ATOM 1428 OG SER B 37 0.968 -12.753 11.210 1.00 0.00 O ATOM 0 H SER B 37 4.259 -13.493 9.375 1.00 0.00 H new ATOM 0 HA SER B 37 2.598 -14.737 11.394 1.00 0.00 H new ATOM 0 HB2 SER B 37 2.904 -12.226 10.775 1.00 0.00 H new ATOM 0 HB3 SER B 37 1.892 -12.572 9.386 1.00 0.00 H new ATOM 0 HG SER B 37 0.405 -13.550 11.113 1.00 0.00 H new ATOM 1434 N GLY B 38 2.306 -15.759 8.376 1.00 0.00 N ATOM 1435 CA GLY B 38 1.569 -16.619 7.460 1.00 0.00 C ATOM 1436 C GLY B 38 0.476 -15.829 6.736 1.00 0.00 C ATOM 1437 O GLY B 38 -0.530 -16.405 6.318 1.00 0.00 O ATOM 0 H GLY B 38 3.265 -15.576 8.081 1.00 0.00 H new ATOM 0 HA2 GLY B 38 2.253 -17.054 6.731 1.00 0.00 H new ATOM 0 HA3 GLY B 38 1.122 -17.447 8.011 1.00 0.00 H new ATOM 1441 N LEU B 39 0.643 -14.507 6.624 1.00 0.00 N ATOM 1442 CA LEU B 39 -0.271 -13.578 5.995 1.00 0.00 C ATOM 1443 C LEU B 39 0.441 -12.982 4.799 1.00 0.00 C ATOM 1444 O LEU B 39 1.554 -12.477 4.931 1.00 0.00 O ATOM 1445 CB LEU B 39 -0.636 -12.420 6.950 1.00 0.00 C ATOM 1446 CG LEU B 39 -1.287 -12.807 8.291 1.00 0.00 C ATOM 1447 CD1 LEU B 39 -1.646 -11.522 9.045 1.00 0.00 C ATOM 1448 CD2 LEU B 39 -2.551 -13.647 8.109 1.00 0.00 C ATOM 0 H LEU B 39 1.471 -14.041 6.995 1.00 0.00 H new ATOM 0 HA LEU B 39 -1.183 -14.106 5.718 1.00 0.00 H new ATOM 0 HB2 LEU B 39 0.272 -11.856 7.163 1.00 0.00 H new ATOM 0 HB3 LEU B 39 -1.314 -11.747 6.425 1.00 0.00 H new ATOM 0 HG LEU B 39 -0.572 -13.412 8.848 1.00 0.00 H new ATOM 0 HD11 LEU B 39 -2.109 -11.777 9.998 1.00 0.00 H new ATOM 0 HD12 LEU B 39 -0.742 -10.941 9.224 1.00 0.00 H new ATOM 0 HD13 LEU B 39 -2.343 -10.933 8.449 1.00 0.00 H new ATOM 0 HD21 LEU B 39 -2.969 -13.892 9.085 1.00 0.00 H new ATOM 0 HD22 LEU B 39 -3.283 -13.082 7.532 1.00 0.00 H new ATOM 0 HD23 LEU B 39 -2.303 -14.567 7.579 1.00 0.00 H new ATOM 1460 N THR B 40 -0.176 -13.020 3.625 1.00 0.00 N ATOM 1461 CA THR B 40 0.412 -12.428 2.430 1.00 0.00 C ATOM 1462 C THR B 40 0.666 -10.945 2.750 1.00 0.00 C ATOM 1463 O THR B 40 -0.137 -10.303 3.430 1.00 0.00 O ATOM 1464 CB THR B 40 -0.533 -12.656 1.241 1.00 0.00 C ATOM 1465 OG1 THR B 40 -0.122 -11.988 0.060 1.00 0.00 O ATOM 1466 CG2 THR B 40 -1.983 -12.238 1.531 1.00 0.00 C ATOM 0 H THR B 40 -1.086 -13.456 3.474 1.00 0.00 H new ATOM 0 HA THR B 40 1.361 -12.883 2.148 1.00 0.00 H new ATOM 0 HB THR B 40 -0.487 -13.734 1.084 1.00 0.00 H new ATOM 0 HG1 THR B 40 -0.761 -12.173 -0.660 1.00 0.00 H new ATOM 0 HG21 THR B 40 -2.598 -12.425 0.651 1.00 0.00 H new ATOM 0 HG22 THR B 40 -2.367 -12.816 2.372 1.00 0.00 H new ATOM 0 HG23 THR B 40 -2.013 -11.176 1.776 1.00 0.00 H new ATOM 1474 N VAL B 41 1.739 -10.354 2.222 1.00 0.00 N ATOM 1475 CA VAL B 41 2.089 -8.956 2.483 1.00 0.00 C ATOM 1476 C VAL B 41 0.902 -8.016 2.269 1.00 0.00 C ATOM 1477 O VAL B 41 0.719 -7.091 3.056 1.00 0.00 O ATOM 1478 CB VAL B 41 3.329 -8.496 1.684 1.00 0.00 C ATOM 1479 CG1 VAL B 41 3.612 -7.013 1.986 1.00 0.00 C ATOM 1480 CG2 VAL B 41 4.595 -9.280 2.049 1.00 0.00 C ATOM 0 H VAL B 41 2.391 -10.832 1.600 1.00 0.00 H new ATOM 0 HA VAL B 41 2.358 -8.903 3.538 1.00 0.00 H new ATOM 0 HB VAL B 41 3.100 -8.666 0.632 1.00 0.00 H new ATOM 0 HG11 VAL B 41 4.487 -6.687 1.423 1.00 0.00 H new ATOM 0 HG12 VAL B 41 2.750 -6.412 1.697 1.00 0.00 H new ATOM 0 HG13 VAL B 41 3.800 -6.888 3.052 1.00 0.00 H new ATOM 0 HG21 VAL B 41 5.433 -8.914 1.457 1.00 0.00 H new ATOM 0 HG22 VAL B 41 4.813 -9.146 3.108 1.00 0.00 H new ATOM 0 HG23 VAL B 41 4.440 -10.339 1.842 1.00 0.00 H new ATOM 1490 N SER B 42 0.087 -8.204 1.229 1.00 0.00 N ATOM 1491 CA SER B 42 -1.042 -7.302 1.020 1.00 0.00 C ATOM 1492 C SER B 42 -2.028 -7.353 2.203 1.00 0.00 C ATOM 1493 O SER B 42 -2.551 -6.314 2.612 1.00 0.00 O ATOM 1494 CB SER B 42 -1.732 -7.631 -0.301 1.00 0.00 C ATOM 1495 OG SER B 42 -0.806 -7.743 -1.376 1.00 0.00 O ATOM 0 H SER B 42 0.183 -8.949 0.539 1.00 0.00 H new ATOM 0 HA SER B 42 -0.666 -6.280 0.967 1.00 0.00 H new ATOM 0 HB2 SER B 42 -2.283 -8.566 -0.199 1.00 0.00 H new ATOM 0 HB3 SER B 42 -2.462 -6.855 -0.531 1.00 0.00 H new ATOM 0 HG SER B 42 -1.288 -7.956 -2.202 1.00 0.00 H new ATOM 1501 N ALA B 43 -2.289 -8.555 2.732 1.00 0.00 N ATOM 1502 CA ALA B 43 -3.162 -8.778 3.873 1.00 0.00 C ATOM 1503 C ALA B 43 -2.486 -8.193 5.108 1.00 0.00 C ATOM 1504 O ALA B 43 -3.152 -7.522 5.879 1.00 0.00 O ATOM 1505 CB ALA B 43 -3.436 -10.270 4.090 1.00 0.00 C ATOM 0 H ALA B 43 -1.885 -9.416 2.363 1.00 0.00 H new ATOM 0 HA ALA B 43 -4.121 -8.294 3.688 1.00 0.00 H new ATOM 0 HB1 ALA B 43 -4.092 -10.398 4.951 1.00 0.00 H new ATOM 0 HB2 ALA B 43 -3.916 -10.684 3.203 1.00 0.00 H new ATOM 0 HB3 ALA B 43 -2.495 -10.790 4.270 1.00 0.00 H new ATOM 1511 N TYR B 44 -1.181 -8.423 5.293 1.00 0.00 N ATOM 1512 CA TYR B 44 -0.422 -7.910 6.422 1.00 0.00 C ATOM 1513 C TYR B 44 -0.586 -6.389 6.474 1.00 0.00 C ATOM 1514 O TYR B 44 -1.027 -5.857 7.485 1.00 0.00 O ATOM 1515 CB TYR B 44 1.036 -8.362 6.303 1.00 0.00 C ATOM 1516 CG TYR B 44 1.933 -7.821 7.392 1.00 0.00 C ATOM 1517 CD1 TYR B 44 2.086 -8.514 8.608 1.00 0.00 C ATOM 1518 CD2 TYR B 44 2.615 -6.608 7.184 1.00 0.00 C ATOM 1519 CE1 TYR B 44 2.928 -7.998 9.609 1.00 0.00 C ATOM 1520 CE2 TYR B 44 3.475 -6.102 8.172 1.00 0.00 C ATOM 1521 CZ TYR B 44 3.626 -6.790 9.394 1.00 0.00 C ATOM 1522 OH TYR B 44 4.458 -6.306 10.351 1.00 0.00 O ATOM 0 H TYR B 44 -0.621 -8.980 4.648 1.00 0.00 H new ATOM 0 HA TYR B 44 -0.794 -8.308 7.366 1.00 0.00 H new ATOM 0 HB2 TYR B 44 1.072 -9.451 6.323 1.00 0.00 H new ATOM 0 HB3 TYR B 44 1.426 -8.048 5.335 1.00 0.00 H new ATOM 0 HD1 TYR B 44 1.557 -9.441 8.772 1.00 0.00 H new ATOM 0 HD2 TYR B 44 2.477 -6.064 6.261 1.00 0.00 H new ATOM 0 HE1 TYR B 44 3.041 -8.527 10.544 1.00 0.00 H new ATOM 0 HE2 TYR B 44 4.020 -5.187 7.996 1.00 0.00 H new ATOM 0 HH TYR B 44 4.531 -5.333 10.259 1.00 0.00 H new ATOM 1532 N ILE B 45 -0.333 -5.694 5.357 1.00 0.00 N ATOM 1533 CA ILE B 45 -0.453 -4.243 5.245 1.00 0.00 C ATOM 1534 C ILE B 45 -1.832 -3.758 5.700 1.00 0.00 C ATOM 1535 O ILE B 45 -1.934 -2.996 6.661 1.00 0.00 O ATOM 1536 CB ILE B 45 -0.150 -3.780 3.792 1.00 0.00 C ATOM 1537 CG1 ILE B 45 1.343 -3.898 3.425 1.00 0.00 C ATOM 1538 CG2 ILE B 45 -0.642 -2.342 3.524 1.00 0.00 C ATOM 1539 CD1 ILE B 45 2.268 -2.921 4.150 1.00 0.00 C ATOM 0 H ILE B 45 -0.033 -6.139 4.490 1.00 0.00 H new ATOM 0 HA ILE B 45 0.286 -3.794 5.909 1.00 0.00 H new ATOM 0 HB ILE B 45 -0.707 -4.463 3.151 1.00 0.00 H new ATOM 0 HG12 ILE B 45 1.674 -4.914 3.638 1.00 0.00 H new ATOM 0 HG13 ILE B 45 1.450 -3.747 2.351 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -0.408 -2.063 2.497 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -1.720 -2.292 3.677 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -0.146 -1.654 4.209 1.00 0.00 H new ATOM 0 HD11 ILE B 45 3.296 -3.083 3.824 1.00 0.00 H new ATOM 0 HD12 ILE B 45 1.971 -1.898 3.918 1.00 0.00 H new ATOM 0 HD13 ILE B 45 2.198 -3.084 5.225 1.00 0.00 H new ATOM 1551 N ARG B 46 -2.891 -4.149 4.984 1.00 0.00 N ATOM 1552 CA ARG B 46 -4.244 -3.706 5.309 1.00 0.00 C ATOM 1553 C ARG B 46 -4.636 -4.088 6.731 1.00 0.00 C ATOM 1554 O ARG B 46 -5.210 -3.261 7.425 1.00 0.00 O ATOM 1555 CB ARG B 46 -5.250 -4.155 4.229 1.00 0.00 C ATOM 1556 CG ARG B 46 -5.664 -5.620 4.385 1.00 0.00 C ATOM 1557 CD ARG B 46 -6.303 -6.228 3.141 1.00 0.00 C ATOM 1558 NE ARG B 46 -6.809 -7.568 3.464 1.00 0.00 N ATOM 1559 CZ ARG B 46 -7.462 -8.392 2.646 1.00 0.00 C ATOM 1560 NH1 ARG B 46 -7.758 -8.019 1.402 1.00 0.00 N ATOM 1561 NH2 ARG B 46 -7.779 -9.604 3.078 1.00 0.00 N ATOM 0 H ARG B 46 -2.834 -4.771 4.177 1.00 0.00 H new ATOM 0 HA ARG B 46 -4.266 -2.616 5.295 1.00 0.00 H new ATOM 0 HB2 ARG B 46 -6.137 -3.523 4.278 1.00 0.00 H new ATOM 0 HB3 ARG B 46 -4.809 -4.009 3.243 1.00 0.00 H new ATOM 0 HG2 ARG B 46 -4.785 -6.207 4.652 1.00 0.00 H new ATOM 0 HG3 ARG B 46 -6.365 -5.701 5.216 1.00 0.00 H new ATOM 0 HD2 ARG B 46 -7.117 -5.594 2.789 1.00 0.00 H new ATOM 0 HD3 ARG B 46 -5.573 -6.287 2.334 1.00 0.00 H new ATOM 0 HE ARG B 46 -6.643 -7.903 4.413 1.00 0.00 H new ATOM 0 HH11 ARG B 46 -7.484 -7.095 1.068 1.00 0.00 H new ATOM 0 HH12 ARG B 46 -8.258 -8.657 0.784 1.00 0.00 H new ATOM 0 HH21 ARG B 46 -7.523 -9.892 4.022 1.00 0.00 H new ATOM 0 HH22 ARG B 46 -8.279 -10.249 2.466 1.00 0.00 H new ATOM 1575 N ASN B 47 -4.308 -5.299 7.177 1.00 0.00 N ATOM 1576 CA ASN B 47 -4.641 -5.758 8.511 1.00 0.00 C ATOM 1577 C ASN B 47 -3.984 -4.866 9.553 1.00 0.00 C ATOM 1578 O ASN B 47 -4.694 -4.304 10.376 1.00 0.00 O ATOM 1579 CB ASN B 47 -4.237 -7.219 8.703 1.00 0.00 C ATOM 1580 CG ASN B 47 -4.616 -7.654 10.103 1.00 0.00 C ATOM 1581 OD1 ASN B 47 -5.795 -7.669 10.444 1.00 0.00 O ATOM 1582 ND2 ASN B 47 -3.653 -8.011 10.922 1.00 0.00 N ATOM 0 H ASN B 47 -3.803 -5.986 6.617 1.00 0.00 H new ATOM 0 HA ASN B 47 -5.722 -5.696 8.639 1.00 0.00 H new ATOM 0 HB2 ASN B 47 -4.735 -7.848 7.965 1.00 0.00 H new ATOM 0 HB3 ASN B 47 -3.164 -7.337 8.549 1.00 0.00 H new ATOM 0 HD21 ASN B 47 -3.876 -8.311 11.871 1.00 0.00 H new ATOM 0 HD22 ASN B 47 -2.682 -7.988 10.609 1.00 0.00 H new ATOM 1589 N ALA B 48 -2.661 -4.693 9.485 1.00 0.00 N ATOM 1590 CA ALA B 48 -1.895 -3.870 10.418 1.00 0.00 C ATOM 1591 C ALA B 48 -2.384 -2.420 10.421 1.00 0.00 C ATOM 1592 O ALA B 48 -2.299 -1.725 11.432 1.00 0.00 O ATOM 1593 CB ALA B 48 -0.410 -3.911 10.030 1.00 0.00 C ATOM 0 H ALA B 48 -2.084 -5.130 8.766 1.00 0.00 H new ATOM 0 HA ALA B 48 -2.034 -4.273 11.421 1.00 0.00 H new ATOM 0 HB1 ALA B 48 0.165 -3.298 10.724 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -0.051 -4.939 10.072 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -0.288 -3.525 9.018 1.00 0.00 H new ATOM 1599 N ALA B 49 -2.877 -1.947 9.274 1.00 0.00 N ATOM 1600 CA ALA B 49 -3.374 -0.590 9.118 1.00 0.00 C ATOM 1601 C ALA B 49 -4.740 -0.369 9.767 1.00 0.00 C ATOM 1602 O ALA B 49 -5.101 0.777 10.010 1.00 0.00 O ATOM 1603 CB ALA B 49 -3.485 -0.257 7.633 1.00 0.00 C ATOM 0 H ALA B 49 -2.940 -2.506 8.423 1.00 0.00 H new ATOM 0 HA ALA B 49 -2.661 0.062 9.622 1.00 0.00 H new ATOM 0 HB1 ALA B 49 -3.858 0.761 7.515 1.00 0.00 H new ATOM 0 HB2 ALA B 49 -2.503 -0.340 7.167 1.00 0.00 H new ATOM 0 HB3 ALA B 49 -4.174 -0.953 7.154 1.00 0.00 H new ATOM 1609 N LEU B 50 -5.524 -1.418 10.016 1.00 0.00 N ATOM 1610 CA LEU B 50 -6.853 -1.313 10.622 1.00 0.00 C ATOM 1611 C LEU B 50 -6.857 -1.825 12.056 1.00 0.00 C ATOM 1612 O LEU B 50 -7.672 -1.389 12.872 1.00 0.00 O ATOM 1613 CB LEU B 50 -7.838 -2.187 9.839 1.00 0.00 C ATOM 1614 CG LEU B 50 -7.941 -1.871 8.340 1.00 0.00 C ATOM 1615 CD1 LEU B 50 -8.429 -3.129 7.623 1.00 0.00 C ATOM 1616 CD2 LEU B 50 -8.855 -0.677 8.094 1.00 0.00 C ATOM 0 H LEU B 50 -5.251 -2.377 9.800 1.00 0.00 H new ATOM 0 HA LEU B 50 -7.135 -0.260 10.604 1.00 0.00 H new ATOM 0 HB2 LEU B 50 -7.545 -3.230 9.955 1.00 0.00 H new ATOM 0 HB3 LEU B 50 -8.827 -2.082 10.285 1.00 0.00 H new ATOM 0 HG LEU B 50 -6.965 -1.590 7.944 1.00 0.00 H new ATOM 0 HD11 LEU B 50 -8.511 -2.930 6.554 1.00 0.00 H new ATOM 0 HD12 LEU B 50 -7.720 -3.940 7.788 1.00 0.00 H new ATOM 0 HD13 LEU B 50 -9.405 -3.415 8.014 1.00 0.00 H new ATOM 0 HD21 LEU B 50 -8.910 -0.475 7.024 1.00 0.00 H new ATOM 0 HD22 LEU B 50 -9.853 -0.898 8.473 1.00 0.00 H new ATOM 0 HD23 LEU B 50 -8.457 0.198 8.608 1.00 0.00 H new ATOM 1628 N ASN B 51 -5.968 -2.773 12.338 1.00 0.00 N ATOM 1629 CA ASN B 51 -5.789 -3.434 13.620 1.00 0.00 C ATOM 1630 C ASN B 51 -4.360 -3.291 14.073 1.00 0.00 C ATOM 1631 O ASN B 51 -4.137 -2.602 15.086 1.00 0.00 O ATOM 1632 CB ASN B 51 -6.161 -4.917 13.510 1.00 0.00 C ATOM 1633 CG ASN B 51 -7.563 -5.138 12.974 1.00 0.00 C ATOM 1634 OD1 ASN B 51 -8.532 -4.539 13.448 1.00 0.00 O ATOM 1635 ND2 ASN B 51 -7.689 -5.964 11.951 1.00 0.00 N ATOM 0 H ASN B 51 -5.316 -3.118 11.633 1.00 0.00 H new ATOM 0 HA ASN B 51 -6.444 -2.965 14.354 1.00 0.00 H new ATOM 0 HB2 ASN B 51 -5.445 -5.418 12.858 1.00 0.00 H new ATOM 0 HB3 ASN B 51 -6.076 -5.381 14.493 1.00 0.00 H new ATOM 0 HD21 ASN B 51 -8.606 -6.120 11.532 1.00 0.00 H new ATOM 0 HD22 ASN B 51 -6.870 -6.445 11.580 1.00 0.00 H new