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= 0.504 K(o=1,f=-0.6) USER MOD Set 1.2: B 51 ASN : amide:sc= 0.546 K(o=1,f=-0.34) USER MOD Set 2.1: B 40 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: B 42 SER OG : rot 180:sc= 0.127 USER MOD Set 3.1: A 40 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 42 SER OG : rot 180:sc= 0.0181 USER MOD Single : A 15 THR OG1 : rot 23:sc= 1.81 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 85:sc= 0.601 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.0132) USER MOD Single : A 37 SER OG : rot -27:sc= 0.294 USER MOD Single : A 44 TYR OH : rot 36:sc= 1.26 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= 0.758 K(o=0.76,f=0) USER MOD Single : B 15 THR OG1 : rot 42:sc= 1.28 USER MOD Single : B 19 THR OG1 : rot 180:sc= 0 USER MOD Single : B 23 SER OG : rot 122:sc= 0.374 USER MOD Single : B 29 THR OG1 : rot 60:sc= 1.23 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 180:sc= 0 USER MOD Single : B 44 TYR OH : rot -1:sc= 0.018 USER MOD ----------------------------------------------------------------- ATOM 234 N THR A 15 13.351 0.150 -4.356 1.00 0.00 N ATOM 235 CA THR A 15 12.002 0.454 -3.929 1.00 0.00 C ATOM 236 C THR A 15 11.088 -0.693 -4.350 1.00 0.00 C ATOM 237 O THR A 15 11.408 -1.481 -5.244 1.00 0.00 O ATOM 238 CB THR A 15 11.582 1.805 -4.545 1.00 0.00 C ATOM 239 OG1 THR A 15 10.493 2.440 -3.899 1.00 0.00 O ATOM 240 CG2 THR A 15 11.233 1.691 -6.035 1.00 0.00 C ATOM 0 HA THR A 15 11.934 0.550 -2.845 1.00 0.00 H new ATOM 0 HB THR A 15 12.470 2.420 -4.403 1.00 0.00 H new ATOM 0 HG1 THR A 15 10.425 2.114 -2.977 1.00 0.00 H new ATOM 0 HG21 THR A 15 10.945 2.670 -6.417 1.00 0.00 H new ATOM 0 HG22 THR A 15 12.101 1.328 -6.585 1.00 0.00 H new ATOM 0 HG23 THR A 15 10.405 0.994 -6.162 1.00 0.00 H new ATOM 248 N VAL A 16 9.931 -0.747 -3.714 1.00 0.00 N ATOM 249 CA VAL A 16 8.891 -1.727 -3.976 1.00 0.00 C ATOM 250 C VAL A 16 7.797 -0.917 -4.652 1.00 0.00 C ATOM 251 O VAL A 16 7.549 0.215 -4.225 1.00 0.00 O ATOM 252 CB VAL A 16 8.351 -2.335 -2.669 1.00 0.00 C ATOM 253 CG1 VAL A 16 7.554 -3.618 -2.935 1.00 0.00 C ATOM 254 CG2 VAL A 16 9.445 -2.663 -1.658 1.00 0.00 C ATOM 0 H VAL A 16 9.681 -0.088 -2.977 1.00 0.00 H new ATOM 0 HA VAL A 16 9.255 -2.561 -4.576 1.00 0.00 H new ATOM 0 HB VAL A 16 7.707 -1.564 -2.247 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.187 -4.021 -1.991 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.709 -3.393 -3.586 1.00 0.00 H new ATOM 0 HG13 VAL A 16 8.198 -4.353 -3.417 1.00 0.00 H new ATOM 0 HG21 VAL A 16 8.995 -3.088 -0.760 1.00 0.00 H new ATOM 0 HG22 VAL A 16 10.138 -3.383 -2.093 1.00 0.00 H new ATOM 0 HG23 VAL A 16 9.984 -1.752 -1.397 1.00 0.00 H new ATOM 264 N VAL A 17 7.154 -1.440 -5.689 1.00 0.00 N ATOM 265 CA VAL A 17 6.084 -0.728 -6.363 1.00 0.00 C ATOM 266 C VAL A 17 5.025 -1.757 -6.703 1.00 0.00 C ATOM 267 O VAL A 17 5.298 -2.730 -7.410 1.00 0.00 O ATOM 268 CB VAL A 17 6.615 0.108 -7.540 1.00 0.00 C ATOM 269 CG1 VAL A 17 7.184 -0.704 -8.710 1.00 0.00 C ATOM 270 CG2 VAL A 17 5.510 1.070 -8.005 1.00 0.00 C ATOM 0 H VAL A 17 7.359 -2.359 -6.080 1.00 0.00 H new ATOM 0 HA VAL A 17 5.621 0.028 -5.729 1.00 0.00 H new ATOM 0 HB VAL A 17 7.476 0.663 -7.167 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.532 -0.025 -9.489 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.018 -1.312 -8.359 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.407 -1.352 -9.115 1.00 0.00 H new ATOM 0 HG21 VAL A 17 5.876 1.668 -8.840 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.639 0.497 -8.323 1.00 0.00 H new ATOM 0 HG23 VAL A 17 5.230 1.728 -7.182 1.00 0.00 H new ATOM 280 N ARG A 18 3.834 -1.593 -6.131 1.00 0.00 N ATOM 281 CA ARG A 18 2.725 -2.503 -6.360 1.00 0.00 C ATOM 282 C ARG A 18 1.431 -1.706 -6.225 1.00 0.00 C ATOM 283 O ARG A 18 1.442 -0.522 -5.870 1.00 0.00 O ATOM 284 CB ARG A 18 2.861 -3.680 -5.365 1.00 0.00 C ATOM 285 CG ARG A 18 1.989 -4.904 -5.675 1.00 0.00 C ATOM 286 CD ARG A 18 2.439 -6.124 -4.860 1.00 0.00 C ATOM 287 NE ARG A 18 1.489 -7.242 -5.006 1.00 0.00 N ATOM 288 CZ ARG A 18 1.752 -8.556 -4.979 1.00 0.00 C ATOM 289 NH1 ARG A 18 2.973 -9.014 -4.715 1.00 0.00 N ATOM 290 NH2 ARG A 18 0.760 -9.412 -5.214 1.00 0.00 N ATOM 0 H ARG A 18 3.615 -0.825 -5.497 1.00 0.00 H new ATOM 0 HA ARG A 18 2.721 -2.939 -7.359 1.00 0.00 H new ATOM 0 HB2 ARG A 18 3.904 -3.995 -5.340 1.00 0.00 H new ATOM 0 HB3 ARG A 18 2.612 -3.321 -4.366 1.00 0.00 H new ATOM 0 HG2 ARG A 18 0.947 -4.678 -5.451 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.044 -5.133 -6.739 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.429 -6.439 -5.189 1.00 0.00 H new ATOM 0 HD3 ARG A 18 2.524 -5.851 -3.808 1.00 0.00 H new ATOM 0 HE ARG A 18 0.512 -6.984 -5.145 1.00 0.00 H new ATOM 0 HH11 ARG A 18 3.733 -8.360 -4.528 1.00 0.00 H new ATOM 0 HH12 ARG A 18 3.149 -10.019 -4.700 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -0.178 -9.064 -5.410 1.00 0.00 H new ATOM 0 HH22 ARG A 18 0.938 -10.416 -5.198 1.00 0.00 H new ATOM 304 N THR A 19 0.318 -2.349 -6.538 1.00 0.00 N ATOM 305 CA THR A 19 -1.018 -1.782 -6.461 1.00 0.00 C ATOM 306 C THR A 19 -1.694 -2.529 -5.326 1.00 0.00 C ATOM 307 O THR A 19 -1.794 -3.761 -5.394 1.00 0.00 O ATOM 308 CB THR A 19 -1.788 -1.983 -7.776 1.00 0.00 C ATOM 309 OG1 THR A 19 -1.046 -1.531 -8.878 1.00 0.00 O ATOM 310 CG2 THR A 19 -3.120 -1.236 -7.759 1.00 0.00 C ATOM 0 H THR A 19 0.320 -3.315 -6.865 1.00 0.00 H new ATOM 0 HA THR A 19 -0.989 -0.706 -6.290 1.00 0.00 H new ATOM 0 HB THR A 19 -1.967 -3.054 -7.869 1.00 0.00 H new ATOM 0 HG1 THR A 19 -1.561 -1.674 -9.700 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.640 -1.398 -8.703 1.00 0.00 H new ATOM 0 HG22 THR A 19 -3.734 -1.606 -6.938 1.00 0.00 H new ATOM 0 HG23 THR A 19 -2.938 -0.170 -7.624 1.00 0.00 H new ATOM 318 N LEU A 20 -2.135 -1.827 -4.285 1.00 0.00 N ATOM 319 CA LEU A 20 -2.807 -2.405 -3.139 1.00 0.00 C ATOM 320 C LEU A 20 -4.172 -1.749 -3.070 1.00 0.00 C ATOM 321 O LEU A 20 -4.257 -0.553 -2.791 1.00 0.00 O ATOM 322 CB LEU A 20 -1.976 -2.149 -1.873 1.00 0.00 C ATOM 323 CG LEU A 20 -1.974 -3.309 -0.871 1.00 0.00 C ATOM 324 CD1 LEU A 20 -3.353 -3.745 -0.367 1.00 0.00 C ATOM 325 CD2 LEU A 20 -1.262 -4.533 -1.455 1.00 0.00 C ATOM 0 H LEU A 20 -2.029 -0.815 -4.220 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.920 -3.486 -3.224 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.948 -1.936 -2.165 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.358 -1.257 -1.377 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.440 -2.909 -0.009 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.239 -4.570 0.336 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.839 -2.907 0.133 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.963 -4.068 -1.210 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.273 -5.343 -0.726 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.775 -4.854 -2.362 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.230 -4.274 -1.694 1.00 0.00 H new ATOM 337 N ARG A 21 -5.223 -2.470 -3.467 1.00 0.00 N ATOM 338 CA ARG A 21 -6.560 -1.917 -3.406 1.00 0.00 C ATOM 339 C ARG A 21 -7.135 -2.124 -2.018 1.00 0.00 C ATOM 340 O ARG A 21 -6.736 -3.053 -1.313 1.00 0.00 O ATOM 341 CB ARG A 21 -7.467 -2.542 -4.464 1.00 0.00 C ATOM 342 CG ARG A 21 -6.930 -2.299 -5.881 1.00 0.00 C ATOM 343 CD ARG A 21 -8.034 -1.925 -6.865 1.00 0.00 C ATOM 344 NE ARG A 21 -9.213 -2.807 -6.799 1.00 0.00 N ATOM 345 CZ ARG A 21 -9.384 -3.956 -7.462 1.00 0.00 C ATOM 346 NH1 ARG A 21 -8.415 -4.443 -8.235 1.00 0.00 N ATOM 347 NH2 ARG A 21 -10.525 -4.621 -7.335 1.00 0.00 N ATOM 0 H ARG A 21 -5.168 -3.423 -3.827 1.00 0.00 H new ATOM 0 HA ARG A 21 -6.503 -0.849 -3.614 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.552 -3.614 -4.285 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -8.470 -2.124 -4.377 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.187 -1.502 -5.853 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.422 -3.197 -6.233 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -8.348 -0.899 -6.672 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -7.630 -1.949 -7.877 1.00 0.00 H new ATOM 0 HE ARG A 21 -9.974 -2.512 -6.187 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -7.533 -3.939 -8.325 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -8.555 -5.320 -8.737 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -11.264 -4.255 -6.735 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -10.663 -5.498 -7.837 1.00 0.00 H new ATOM 361 N PHE A 22 -8.109 -1.297 -1.663 1.00 0.00 N ATOM 362 CA PHE A 22 -8.788 -1.340 -0.369 1.00 0.00 C ATOM 363 C PHE A 22 -10.276 -1.147 -0.604 1.00 0.00 C ATOM 364 O PHE A 22 -10.655 -0.741 -1.704 1.00 0.00 O ATOM 365 CB PHE A 22 -8.218 -0.270 0.567 1.00 0.00 C ATOM 366 CG PHE A 22 -6.758 -0.484 0.916 1.00 0.00 C ATOM 367 CD1 PHE A 22 -6.405 -1.260 2.035 1.00 0.00 C ATOM 368 CD2 PHE A 22 -5.747 0.110 0.136 1.00 0.00 C ATOM 369 CE1 PHE A 22 -5.059 -1.393 2.399 1.00 0.00 C ATOM 370 CE2 PHE A 22 -4.395 -0.056 0.482 1.00 0.00 C ATOM 371 CZ PHE A 22 -4.049 -0.788 1.631 1.00 0.00 C ATOM 0 H PHE A 22 -8.458 -0.561 -2.277 1.00 0.00 H new ATOM 0 HA PHE A 22 -8.627 -2.304 0.114 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -8.331 0.708 0.099 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -8.804 -0.254 1.486 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -7.172 -1.753 2.614 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -6.012 0.696 -0.732 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.795 -1.965 3.276 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.622 0.379 -0.135 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.013 -0.885 1.922 1.00 0.00 H new ATOM 381 N SER A 23 -11.113 -1.481 0.375 1.00 0.00 N ATOM 382 CA SER A 23 -12.566 -1.340 0.280 1.00 0.00 C ATOM 383 C SER A 23 -12.963 0.046 0.840 1.00 0.00 C ATOM 384 O SER A 23 -12.112 0.689 1.459 1.00 0.00 O ATOM 385 CB SER A 23 -13.198 -2.584 0.939 1.00 0.00 C ATOM 386 OG SER A 23 -12.656 -3.766 0.356 1.00 0.00 O ATOM 0 H SER A 23 -10.799 -1.862 1.268 1.00 0.00 H new ATOM 0 HA SER A 23 -12.956 -1.332 -0.738 1.00 0.00 H new ATOM 0 HB2 SER A 23 -13.006 -2.576 2.012 1.00 0.00 H new ATOM 0 HB3 SER A 23 -14.280 -2.566 0.808 1.00 0.00 H new ATOM 0 HG SER A 23 -13.059 -4.553 0.778 1.00 0.00 H new ATOM 392 N PRO A 24 -14.205 0.540 0.665 1.00 0.00 N ATOM 393 CA PRO A 24 -14.577 1.870 1.142 1.00 0.00 C ATOM 394 C PRO A 24 -14.492 2.005 2.655 1.00 0.00 C ATOM 395 O PRO A 24 -13.981 3.010 3.144 1.00 0.00 O ATOM 396 CB PRO A 24 -15.983 2.149 0.601 1.00 0.00 C ATOM 397 CG PRO A 24 -16.558 0.752 0.386 1.00 0.00 C ATOM 398 CD PRO A 24 -15.334 -0.076 -0.013 1.00 0.00 C ATOM 0 HA PRO A 24 -13.870 2.614 0.775 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -16.579 2.725 1.308 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -15.951 2.719 -0.328 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -17.027 0.366 1.291 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -17.319 0.746 -0.394 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -15.451 -1.117 0.288 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -15.193 -0.070 -1.094 1.00 0.00 H new ATOM 406 N VAL A 25 -14.947 0.989 3.387 1.00 0.00 N ATOM 407 CA VAL A 25 -14.942 0.969 4.844 1.00 0.00 C ATOM 408 C VAL A 25 -13.505 0.895 5.377 1.00 0.00 C ATOM 409 O VAL A 25 -13.231 1.342 6.489 1.00 0.00 O ATOM 410 CB VAL A 25 -15.820 -0.219 5.300 1.00 0.00 C ATOM 411 CG1 VAL A 25 -15.913 -0.383 6.823 1.00 0.00 C ATOM 412 CG2 VAL A 25 -17.254 -0.087 4.751 1.00 0.00 C ATOM 0 H VAL A 25 -15.336 0.142 2.973 1.00 0.00 H new ATOM 0 HA VAL A 25 -15.360 1.889 5.254 1.00 0.00 H new ATOM 0 HB VAL A 25 -15.321 -1.100 4.897 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -16.547 -1.238 7.059 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -14.916 -0.546 7.233 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -16.342 0.518 7.260 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -17.851 -0.935 5.086 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -17.700 0.838 5.117 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -17.226 -0.071 3.661 1.00 0.00 H new ATOM 422 N GLU A 26 -12.576 0.335 4.602 1.00 0.00 N ATOM 423 CA GLU A 26 -11.174 0.183 4.984 1.00 0.00 C ATOM 424 C GLU A 26 -10.430 1.494 4.733 1.00 0.00 C ATOM 425 O GLU A 26 -9.548 1.880 5.497 1.00 0.00 O ATOM 426 CB GLU A 26 -10.553 -0.981 4.205 1.00 0.00 C ATOM 427 CG GLU A 26 -11.395 -2.267 4.242 1.00 0.00 C ATOM 428 CD GLU A 26 -11.520 -2.974 5.595 1.00 0.00 C ATOM 429 OE1 GLU A 26 -11.834 -2.322 6.609 1.00 0.00 O ATOM 430 OE2 GLU A 26 -11.382 -4.223 5.589 1.00 0.00 O ATOM 0 H GLU A 26 -12.782 -0.033 3.673 1.00 0.00 H new ATOM 0 HA GLU A 26 -11.097 -0.047 6.047 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.413 -0.679 3.167 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -9.564 -1.193 4.612 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -12.398 -2.026 3.891 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.969 -2.972 3.529 1.00 0.00 H new ATOM 437 N ASP A 27 -10.772 2.169 3.639 1.00 0.00 N ATOM 438 CA ASP A 27 -10.212 3.449 3.227 1.00 0.00 C ATOM 439 C ASP A 27 -10.677 4.517 4.199 1.00 0.00 C ATOM 440 O ASP A 27 -9.869 5.308 4.660 1.00 0.00 O ATOM 441 CB ASP A 27 -10.712 3.756 1.815 1.00 0.00 C ATOM 442 CG ASP A 27 -10.246 5.113 1.287 1.00 0.00 C ATOM 443 OD1 ASP A 27 -9.047 5.438 1.401 1.00 0.00 O ATOM 444 OD2 ASP A 27 -11.068 5.829 0.670 1.00 0.00 O ATOM 0 H ASP A 27 -11.477 1.822 2.989 1.00 0.00 H new ATOM 0 HA ASP A 27 -9.122 3.421 3.227 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -10.369 2.974 1.138 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -11.802 3.727 1.809 1.00 0.00 H new ATOM 449 N GLU A 28 -11.960 4.489 4.551 1.00 0.00 N ATOM 450 CA GLU A 28 -12.624 5.390 5.475 1.00 0.00 C ATOM 451 C GLU A 28 -11.873 5.399 6.805 1.00 0.00 C ATOM 452 O GLU A 28 -11.510 6.462 7.300 1.00 0.00 O ATOM 453 CB GLU A 28 -14.066 4.876 5.615 1.00 0.00 C ATOM 454 CG GLU A 28 -14.885 5.360 6.812 1.00 0.00 C ATOM 455 CD GLU A 28 -16.295 4.777 6.686 1.00 0.00 C ATOM 456 OE1 GLU A 28 -16.485 3.555 6.910 1.00 0.00 O ATOM 457 OE2 GLU A 28 -17.199 5.498 6.209 1.00 0.00 O ATOM 0 H GLU A 28 -12.599 3.791 4.172 1.00 0.00 H new ATOM 0 HA GLU A 28 -12.636 6.421 5.122 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -14.607 5.147 4.708 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -14.031 3.787 5.652 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -14.422 5.040 7.745 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -14.923 6.449 6.833 1.00 0.00 H new ATOM 464 N THR A 29 -11.630 4.219 7.376 1.00 0.00 N ATOM 465 CA THR A 29 -10.938 4.089 8.644 1.00 0.00 C ATOM 466 C THR A 29 -9.492 4.551 8.524 1.00 0.00 C ATOM 467 O THR A 29 -9.065 5.382 9.321 1.00 0.00 O ATOM 468 CB THR A 29 -11.006 2.621 9.093 1.00 0.00 C ATOM 469 OG1 THR A 29 -12.354 2.198 9.176 1.00 0.00 O ATOM 470 CG2 THR A 29 -10.337 2.361 10.442 1.00 0.00 C ATOM 0 H THR A 29 -11.911 3.328 6.966 1.00 0.00 H new ATOM 0 HA THR A 29 -11.420 4.722 9.388 1.00 0.00 H new ATOM 0 HB THR A 29 -10.459 2.056 8.338 1.00 0.00 H new ATOM 0 HG1 THR A 29 -12.662 1.912 8.291 1.00 0.00 H new ATOM 0 HG21 THR A 29 -10.424 1.304 10.694 1.00 0.00 H new ATOM 0 HG22 THR A 29 -9.283 2.634 10.384 1.00 0.00 H new ATOM 0 HG23 THR A 29 -10.825 2.959 11.212 1.00 0.00 H new ATOM 478 N ILE A 30 -8.742 4.033 7.544 1.00 0.00 N ATOM 479 CA ILE A 30 -7.344 4.405 7.384 1.00 0.00 C ATOM 480 C ILE A 30 -7.209 5.910 7.180 1.00 0.00 C ATOM 481 O ILE A 30 -6.316 6.525 7.748 1.00 0.00 O ATOM 482 CB ILE A 30 -6.639 3.529 6.324 1.00 0.00 C ATOM 483 CG1 ILE A 30 -6.468 2.118 6.944 1.00 0.00 C ATOM 484 CG2 ILE A 30 -5.273 4.139 5.927 1.00 0.00 C ATOM 485 CD1 ILE A 30 -6.003 1.007 6.001 1.00 0.00 C ATOM 0 H ILE A 30 -9.083 3.360 6.858 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.804 4.191 8.306 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.230 3.473 5.410 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.753 2.190 7.764 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.422 1.819 7.378 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.795 3.505 5.180 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.426 5.136 5.513 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.635 4.206 6.808 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.922 0.071 6.554 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.725 0.890 5.193 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -5.030 1.267 5.584 1.00 0.00 H new ATOM 497 N ARG A 31 -8.084 6.515 6.383 1.00 0.00 N ATOM 498 CA ARG A 31 -8.046 7.938 6.108 1.00 0.00 C ATOM 499 C ARG A 31 -8.321 8.730 7.378 1.00 0.00 C ATOM 500 O ARG A 31 -7.561 9.646 7.682 1.00 0.00 O ATOM 501 CB ARG A 31 -9.031 8.252 4.976 1.00 0.00 C ATOM 502 CG ARG A 31 -8.887 9.681 4.466 1.00 0.00 C ATOM 503 CD ARG A 31 -9.869 9.916 3.316 1.00 0.00 C ATOM 504 NE ARG A 31 -9.964 11.348 3.026 1.00 0.00 N ATOM 505 CZ ARG A 31 -9.112 12.086 2.315 1.00 0.00 C ATOM 506 NH1 ARG A 31 -8.145 11.531 1.590 1.00 0.00 N ATOM 507 NH2 ARG A 31 -9.238 13.401 2.332 1.00 0.00 N ATOM 0 H ARG A 31 -8.842 6.024 5.909 1.00 0.00 H new ATOM 0 HA ARG A 31 -7.053 8.238 5.774 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -8.869 7.556 4.153 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -10.050 8.095 5.330 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -9.081 10.387 5.273 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -7.866 9.856 4.127 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -9.538 9.378 2.428 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -10.851 9.524 3.579 1.00 0.00 H new ATOM 0 HE ARG A 31 -10.773 11.835 3.411 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -8.042 10.516 1.569 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -7.507 12.120 1.055 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -9.978 13.835 2.883 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -8.595 13.982 1.794 1.00 0.00 H new ATOM 521 N LYS A 32 -9.374 8.384 8.124 1.00 0.00 N ATOM 522 CA LYS A 32 -9.706 9.110 9.345 1.00 0.00 C ATOM 523 C LYS A 32 -8.600 8.965 10.385 1.00 0.00 C ATOM 524 O LYS A 32 -8.194 9.975 10.963 1.00 0.00 O ATOM 525 CB LYS A 32 -11.079 8.697 9.907 1.00 0.00 C ATOM 526 CG LYS A 32 -12.216 9.583 9.366 1.00 0.00 C ATOM 527 CD LYS A 32 -12.593 9.328 7.898 1.00 0.00 C ATOM 528 CE LYS A 32 -13.489 10.474 7.412 1.00 0.00 C ATOM 529 NZ LYS A 32 -14.029 10.283 6.047 1.00 0.00 N ATOM 0 H LYS A 32 -10.004 7.612 7.904 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.781 10.166 9.087 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.277 7.656 9.650 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.058 8.758 10.995 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -13.101 9.432 9.985 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.926 10.628 9.475 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.695 9.264 7.283 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -13.113 8.375 7.802 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -14.321 10.590 8.107 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -12.919 11.403 7.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -14.623 11.098 5.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -13.243 10.202 5.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -14.601 9.415 6.018 1.00 0.00 H new ATOM 543 N LYS A 33 -8.101 7.748 10.624 1.00 0.00 N ATOM 544 CA LYS A 33 -7.049 7.529 11.612 1.00 0.00 C ATOM 545 C LYS A 33 -5.782 8.275 11.207 1.00 0.00 C ATOM 546 O LYS A 33 -5.163 8.919 12.050 1.00 0.00 O ATOM 547 CB LYS A 33 -6.803 6.022 11.808 1.00 0.00 C ATOM 548 CG LYS A 33 -6.096 5.723 13.145 1.00 0.00 C ATOM 549 CD LYS A 33 -7.031 5.824 14.358 1.00 0.00 C ATOM 550 CE LYS A 33 -7.639 4.506 14.842 1.00 0.00 C ATOM 551 NZ LYS A 33 -8.199 3.676 13.765 1.00 0.00 N ATOM 0 H LYS A 33 -8.411 6.902 10.145 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.368 7.930 12.574 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -7.755 5.492 11.774 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -6.197 5.643 10.985 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.668 4.721 13.106 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.267 6.419 13.274 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.477 6.272 15.183 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.843 6.508 14.111 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.873 3.935 15.366 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -8.425 4.724 15.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -8.607 2.810 14.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -8.941 4.208 13.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.446 3.423 13.094 1.00 0.00 H new ATOM 565 N ALA A 34 -5.414 8.217 9.926 1.00 0.00 N ATOM 566 CA ALA A 34 -4.239 8.885 9.390 1.00 0.00 C ATOM 567 C ALA A 34 -4.338 10.394 9.625 1.00 0.00 C ATOM 568 O ALA A 34 -3.428 11.009 10.183 1.00 0.00 O ATOM 569 CB ALA A 34 -4.132 8.551 7.895 1.00 0.00 C ATOM 0 H ALA A 34 -5.937 7.694 9.224 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.338 8.538 9.896 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.256 9.044 7.474 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.038 7.472 7.769 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.027 8.900 7.379 1.00 0.00 H new ATOM 575 N GLU A 35 -5.456 10.990 9.204 1.00 0.00 N ATOM 576 CA GLU A 35 -5.698 12.421 9.330 1.00 0.00 C ATOM 577 C GLU A 35 -5.656 12.878 10.791 1.00 0.00 C ATOM 578 O GLU A 35 -5.117 13.949 11.077 1.00 0.00 O ATOM 579 CB GLU A 35 -7.003 12.808 8.613 1.00 0.00 C ATOM 580 CG GLU A 35 -6.909 14.251 8.100 1.00 0.00 C ATOM 581 CD GLU A 35 -8.144 14.722 7.329 1.00 0.00 C ATOM 582 OE1 GLU A 35 -8.698 13.952 6.507 1.00 0.00 O ATOM 583 OE2 GLU A 35 -8.537 15.905 7.504 1.00 0.00 O ATOM 0 H GLU A 35 -6.224 10.484 8.762 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.888 12.956 8.833 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.186 12.128 7.781 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.846 12.710 9.296 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.748 14.917 8.948 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.035 14.339 7.454 1.00 0.00 H new ATOM 590 N ASP A 36 -6.196 12.084 11.722 1.00 0.00 N ATOM 591 CA ASP A 36 -6.173 12.439 13.141 1.00 0.00 C ATOM 592 C ASP A 36 -4.752 12.312 13.686 1.00 0.00 C ATOM 593 O ASP A 36 -4.296 13.144 14.471 1.00 0.00 O ATOM 594 CB ASP A 36 -7.087 11.538 13.975 1.00 0.00 C ATOM 595 CG ASP A 36 -6.838 11.806 15.460 1.00 0.00 C ATOM 596 OD1 ASP A 36 -7.222 12.896 15.942 1.00 0.00 O ATOM 597 OD2 ASP A 36 -6.217 10.951 16.135 1.00 0.00 O ATOM 0 H ASP A 36 -6.652 11.195 11.517 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.530 13.466 13.218 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.131 11.731 13.728 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.893 10.490 13.745 1.00 0.00 H new ATOM 602 N SER A 37 -4.043 11.262 13.279 1.00 0.00 N ATOM 603 CA SER A 37 -2.682 11.002 13.700 1.00 0.00 C ATOM 604 C SER A 37 -1.726 12.033 13.101 1.00 0.00 C ATOM 605 O SER A 37 -0.551 12.038 13.474 1.00 0.00 O ATOM 606 CB SER A 37 -2.291 9.584 13.261 1.00 0.00 C ATOM 607 OG SER A 37 -1.031 9.234 13.795 1.00 0.00 O ATOM 0 H SER A 37 -4.411 10.560 12.637 1.00 0.00 H new ATOM 0 HA SER A 37 -2.615 11.080 14.785 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.045 8.872 13.595 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.260 9.529 12.173 1.00 0.00 H new ATOM 0 HG SER A 37 -0.504 10.046 13.950 1.00 0.00 H new ATOM 613 N GLY A 38 -2.182 12.878 12.171 1.00 0.00 N ATOM 614 CA GLY A 38 -1.335 13.869 11.546 1.00 0.00 C ATOM 615 C GLY A 38 -0.273 13.209 10.669 1.00 0.00 C ATOM 616 O GLY A 38 0.766 13.813 10.400 1.00 0.00 O ATOM 0 H GLY A 38 -3.146 12.885 11.839 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -1.943 14.543 10.942 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.853 14.476 12.313 1.00 0.00 H new ATOM 620 N LEU A 39 -0.489 11.961 10.247 1.00 0.00 N ATOM 621 CA LEU A 39 0.397 11.173 9.407 1.00 0.00 C ATOM 622 C LEU A 39 -0.413 10.914 8.156 1.00 0.00 C ATOM 623 O LEU A 39 -1.474 10.307 8.253 1.00 0.00 O ATOM 624 CB LEU A 39 0.769 9.825 10.062 1.00 0.00 C ATOM 625 CG LEU A 39 1.483 9.893 11.422 1.00 0.00 C ATOM 626 CD1 LEU A 39 1.857 8.477 11.875 1.00 0.00 C ATOM 627 CD2 LEU A 39 2.738 10.761 11.384 1.00 0.00 C ATOM 0 H LEU A 39 -1.335 11.451 10.500 1.00 0.00 H new ATOM 0 HA LEU A 39 1.337 11.695 9.225 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.144 9.243 10.186 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.406 9.275 9.370 1.00 0.00 H new ATOM 0 HG LEU A 39 0.791 10.352 12.128 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.363 8.525 12.839 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.953 7.875 11.969 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.521 8.023 11.139 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.202 10.773 12.370 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.441 10.353 10.658 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.469 11.777 11.097 1.00 0.00 H new ATOM 639 N THR A 40 0.017 11.405 6.996 1.00 0.00 N ATOM 640 CA THR A 40 -0.723 11.165 5.759 1.00 0.00 C ATOM 641 C THR A 40 -0.922 9.648 5.594 1.00 0.00 C ATOM 642 O THR A 40 -0.087 8.872 6.063 1.00 0.00 O ATOM 643 CB THR A 40 0.008 11.835 4.579 1.00 0.00 C ATOM 644 OG1 THR A 40 -0.635 11.550 3.356 1.00 0.00 O ATOM 645 CG2 THR A 40 1.491 11.465 4.486 1.00 0.00 C ATOM 0 H THR A 40 0.863 11.964 6.886 1.00 0.00 H new ATOM 0 HA THR A 40 -1.715 11.616 5.790 1.00 0.00 H new ATOM 0 HB THR A 40 -0.039 12.906 4.777 1.00 0.00 H new ATOM 0 HG1 THR A 40 -0.153 11.988 2.623 1.00 0.00 H new ATOM 0 HG21 THR A 40 1.940 11.973 3.633 1.00 0.00 H new ATOM 0 HG22 THR A 40 2.000 11.771 5.400 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.590 10.387 4.359 1.00 0.00 H new ATOM 653 N VAL A 41 -1.987 9.210 4.911 1.00 0.00 N ATOM 654 CA VAL A 41 -2.295 7.796 4.693 1.00 0.00 C ATOM 655 C VAL A 41 -1.056 7.009 4.261 1.00 0.00 C ATOM 656 O VAL A 41 -0.827 5.906 4.753 1.00 0.00 O ATOM 657 CB VAL A 41 -3.465 7.652 3.696 1.00 0.00 C ATOM 658 CG1 VAL A 41 -3.659 6.204 3.222 1.00 0.00 C ATOM 659 CG2 VAL A 41 -4.772 8.122 4.346 1.00 0.00 C ATOM 0 H VAL A 41 -2.668 9.841 4.489 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.614 7.360 5.640 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.214 8.268 2.832 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.494 6.159 2.523 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.752 5.859 2.726 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.869 5.565 4.080 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.591 8.016 3.634 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.978 7.516 5.229 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.678 9.168 4.638 1.00 0.00 H new ATOM 669 N SER A 42 -0.245 7.550 3.355 1.00 0.00 N ATOM 670 CA SER A 42 0.949 6.865 2.894 1.00 0.00 C ATOM 671 C SER A 42 1.913 6.567 4.052 1.00 0.00 C ATOM 672 O SER A 42 2.412 5.447 4.164 1.00 0.00 O ATOM 673 CB SER A 42 1.589 7.710 1.791 1.00 0.00 C ATOM 674 OG SER A 42 1.638 9.078 2.173 1.00 0.00 O ATOM 0 H SER A 42 -0.398 8.463 2.928 1.00 0.00 H new ATOM 0 HA SER A 42 0.687 5.890 2.483 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.596 7.348 1.586 1.00 0.00 H new ATOM 0 HB3 SER A 42 1.019 7.605 0.868 1.00 0.00 H new ATOM 0 HG SER A 42 2.052 9.603 1.456 1.00 0.00 H new ATOM 680 N ALA A 43 2.172 7.564 4.904 1.00 0.00 N ATOM 681 CA ALA A 43 3.042 7.450 6.064 1.00 0.00 C ATOM 682 C ALA A 43 2.420 6.510 7.091 1.00 0.00 C ATOM 683 O ALA A 43 3.120 5.680 7.659 1.00 0.00 O ATOM 684 CB ALA A 43 3.264 8.813 6.710 1.00 0.00 C ATOM 0 H ALA A 43 1.768 8.495 4.797 1.00 0.00 H new ATOM 0 HA ALA A 43 4.001 7.053 5.730 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.918 8.703 7.575 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.727 9.486 5.989 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.306 9.225 7.028 1.00 0.00 H new ATOM 690 N TYR A 44 1.113 6.642 7.327 1.00 0.00 N ATOM 691 CA TYR A 44 0.344 5.838 8.261 1.00 0.00 C ATOM 692 C TYR A 44 0.553 4.359 7.939 1.00 0.00 C ATOM 693 O TYR A 44 0.943 3.589 8.811 1.00 0.00 O ATOM 694 CB TYR A 44 -1.120 6.279 8.180 1.00 0.00 C ATOM 695 CG TYR A 44 -2.071 5.449 9.004 1.00 0.00 C ATOM 696 CD1 TYR A 44 -2.588 4.252 8.475 1.00 0.00 C ATOM 697 CD2 TYR A 44 -2.454 5.877 10.286 1.00 0.00 C ATOM 698 CE1 TYR A 44 -3.500 3.492 9.221 1.00 0.00 C ATOM 699 CE2 TYR A 44 -3.387 5.126 11.016 1.00 0.00 C ATOM 700 CZ TYR A 44 -3.919 3.931 10.493 1.00 0.00 C ATOM 701 OH TYR A 44 -4.850 3.231 11.196 1.00 0.00 O ATOM 0 H TYR A 44 0.545 7.342 6.850 1.00 0.00 H new ATOM 0 HA TYR A 44 0.673 5.982 9.290 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.191 7.318 8.503 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.439 6.246 7.138 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -2.282 3.919 7.494 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.033 6.778 10.707 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -3.883 2.566 8.819 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -3.701 5.468 11.991 1.00 0.00 H new ATOM 0 HH TYR A 44 -4.724 2.272 11.041 1.00 0.00 H new ATOM 711 N ILE A 45 0.360 3.980 6.671 1.00 0.00 N ATOM 712 CA ILE A 45 0.518 2.617 6.180 1.00 0.00 C ATOM 713 C ILE A 45 1.902 2.083 6.549 1.00 0.00 C ATOM 714 O ILE A 45 2.003 1.106 7.288 1.00 0.00 O ATOM 715 CB ILE A 45 0.273 2.584 4.651 1.00 0.00 C ATOM 716 CG1 ILE A 45 -1.203 2.878 4.303 1.00 0.00 C ATOM 717 CG2 ILE A 45 0.760 1.275 3.992 1.00 0.00 C ATOM 718 CD1 ILE A 45 -2.131 1.685 4.462 1.00 0.00 C ATOM 0 H ILE A 45 0.082 4.636 5.941 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.218 1.966 6.651 1.00 0.00 H new ATOM 0 HB ILE A 45 0.880 3.385 4.229 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.560 3.689 4.938 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.258 3.232 3.274 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.561 1.311 2.921 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.831 1.160 4.159 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.232 0.428 4.431 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.147 1.977 4.198 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -1.803 0.879 3.806 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -2.109 1.342 5.497 1.00 0.00 H new ATOM 730 N ARG A 46 2.964 2.705 6.025 1.00 0.00 N ATOM 731 CA ARG A 46 4.334 2.271 6.282 1.00 0.00 C ATOM 732 C ARG A 46 4.671 2.234 7.769 1.00 0.00 C ATOM 733 O ARG A 46 5.251 1.250 8.208 1.00 0.00 O ATOM 734 CB ARG A 46 5.351 3.073 5.446 1.00 0.00 C ATOM 735 CG ARG A 46 5.383 4.574 5.740 1.00 0.00 C ATOM 736 CD ARG A 46 6.350 5.355 4.844 1.00 0.00 C ATOM 737 NE ARG A 46 7.727 4.826 4.848 1.00 0.00 N ATOM 738 CZ ARG A 46 8.573 4.711 5.879 1.00 0.00 C ATOM 739 NH1 ARG A 46 8.253 5.117 7.103 1.00 0.00 N ATOM 740 NH2 ARG A 46 9.771 4.178 5.706 1.00 0.00 N ATOM 0 H ARG A 46 2.895 3.519 5.414 1.00 0.00 H new ATOM 0 HA ARG A 46 4.409 1.236 5.947 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.346 2.662 5.618 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.125 2.929 4.389 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.379 4.981 5.618 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.664 4.726 6.782 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.971 5.346 3.822 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.370 6.396 5.168 1.00 0.00 H new ATOM 0 HE ARG A 46 8.081 4.506 3.947 1.00 0.00 H new ATOM 0 HH11 ARG A 46 7.338 5.532 7.280 1.00 0.00 H new ATOM 0 HH12 ARG A 46 8.922 5.014 7.866 1.00 0.00 H new ATOM 0 HH21 ARG A 46 10.055 3.851 4.782 1.00 0.00 H new ATOM 0 HH22 ARG A 46 10.411 4.094 6.496 1.00 0.00 H new ATOM 754 N ASN A 47 4.307 3.258 8.541 1.00 0.00 N ATOM 755 CA ASN A 47 4.570 3.346 9.974 1.00 0.00 C ATOM 756 C ASN A 47 3.922 2.179 10.707 1.00 0.00 C ATOM 757 O ASN A 47 4.614 1.462 11.431 1.00 0.00 O ATOM 758 CB ASN A 47 4.069 4.698 10.502 1.00 0.00 C ATOM 759 CG ASN A 47 4.239 4.806 12.008 1.00 0.00 C ATOM 760 OD1 ASN A 47 5.350 4.950 12.508 1.00 0.00 O ATOM 761 ND2 ASN A 47 3.155 4.760 12.761 1.00 0.00 N ATOM 0 H ASN A 47 3.808 4.069 8.176 1.00 0.00 H new ATOM 0 HA ASN A 47 5.643 3.284 10.154 1.00 0.00 H new ATOM 0 HB2 ASN A 47 4.616 5.505 10.014 1.00 0.00 H new ATOM 0 HB3 ASN A 47 3.018 4.824 10.244 1.00 0.00 H new ATOM 0 HD21 ASN A 47 3.234 4.845 13.774 1.00 0.00 H new ATOM 0 HD22 ASN A 47 2.239 4.640 12.329 1.00 0.00 H new ATOM 768 N ALA A 48 2.620 1.970 10.497 1.00 0.00 N ATOM 769 CA ALA A 48 1.871 0.891 11.127 1.00 0.00 C ATOM 770 C ALA A 48 2.407 -0.480 10.704 1.00 0.00 C ATOM 771 O ALA A 48 2.387 -1.419 11.500 1.00 0.00 O ATOM 772 CB ALA A 48 0.389 1.017 10.757 1.00 0.00 C ATOM 0 H ALA A 48 2.055 2.552 9.879 1.00 0.00 H new ATOM 0 HA ALA A 48 1.988 0.973 12.208 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.173 0.210 11.227 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.007 1.977 11.105 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.278 0.954 9.675 1.00 0.00 H new ATOM 778 N ALA A 49 2.895 -0.593 9.465 1.00 0.00 N ATOM 779 CA ALA A 49 3.435 -1.829 8.909 1.00 0.00 C ATOM 780 C ALA A 49 4.832 -2.195 9.432 1.00 0.00 C ATOM 781 O ALA A 49 5.263 -3.327 9.238 1.00 0.00 O ATOM 782 CB ALA A 49 3.488 -1.720 7.389 1.00 0.00 C ATOM 0 H ALA A 49 2.925 0.189 8.811 1.00 0.00 H new ATOM 0 HA ALA A 49 2.763 -2.625 9.231 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.891 -2.643 6.972 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.483 -1.555 7.001 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.128 -0.884 7.106 1.00 0.00 H new ATOM 788 N LEU A 50 5.559 -1.270 10.065 1.00 0.00 N ATOM 789 CA LEU A 50 6.898 -1.536 10.591 1.00 0.00 C ATOM 790 C LEU A 50 6.916 -1.634 12.105 1.00 0.00 C ATOM 791 O LEU A 50 7.721 -2.387 12.658 1.00 0.00 O ATOM 792 CB LEU A 50 7.836 -0.385 10.220 1.00 0.00 C ATOM 793 CG LEU A 50 8.009 -0.226 8.708 1.00 0.00 C ATOM 794 CD1 LEU A 50 8.454 1.208 8.435 1.00 0.00 C ATOM 795 CD2 LEU A 50 8.943 -1.286 8.134 1.00 0.00 C ATOM 0 H LEU A 50 5.235 -0.316 10.226 1.00 0.00 H new ATOM 0 HA LEU A 50 7.215 -2.485 10.159 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.446 0.544 10.636 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.811 -0.555 10.677 1.00 0.00 H new ATOM 0 HG LEU A 50 7.064 -0.394 8.191 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.585 1.350 7.362 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.697 1.900 8.803 1.00 0.00 H new ATOM 0 HD13 LEU A 50 9.398 1.399 8.945 1.00 0.00 H new ATOM 0 HD21 LEU A 50 9.041 -1.141 7.058 1.00 0.00 H new ATOM 0 HD22 LEU A 50 9.923 -1.199 8.603 1.00 0.00 H new ATOM 0 HD23 LEU A 50 8.533 -2.277 8.330 1.00 0.00 H new ATOM 807 N ASN A 51 6.076 -0.839 12.766 1.00 0.00 N ATOM 808 CA ASN A 51 5.982 -0.793 14.226 1.00 0.00 C ATOM 809 C ASN A 51 4.947 -1.774 14.751 1.00 0.00 C ATOM 810 O ASN A 51 3.831 -1.342 15.103 1.00 0.00 O ATOM 811 CB ASN A 51 5.687 0.637 14.698 1.00 0.00 C ATOM 812 CG ASN A 51 6.832 1.572 14.381 1.00 0.00 C ATOM 813 OD1 ASN A 51 7.799 1.685 15.135 1.00 0.00 O ATOM 814 ND2 ASN A 51 6.777 2.224 13.233 1.00 0.00 N ATOM 0 H ASN A 51 5.433 -0.200 12.298 1.00 0.00 H new ATOM 0 HA ASN A 51 6.945 -1.096 14.636 1.00 0.00 H new ATOM 0 HB2 ASN A 51 4.777 0.999 14.219 1.00 0.00 H new ATOM 0 HB3 ASN A 51 5.503 0.636 15.772 1.00 0.00 H new ATOM 0 HD21 ASN A 51 7.545 2.835 12.956 1.00 0.00 H new ATOM 0 HD22 ASN A 51 5.966 2.116 12.623 1.00 0.00 H new ATOM 1055 N THR B 15 -13.544 1.202 -4.185 1.00 0.00 N ATOM 1056 CA THR B 15 -12.211 0.740 -3.900 1.00 0.00 C ATOM 1057 C THR B 15 -11.189 1.827 -4.215 1.00 0.00 C ATOM 1058 O THR B 15 -11.417 2.727 -5.029 1.00 0.00 O ATOM 1059 CB THR B 15 -11.972 -0.561 -4.700 1.00 0.00 C ATOM 1060 OG1 THR B 15 -10.908 -1.360 -4.222 1.00 0.00 O ATOM 1061 CG2 THR B 15 -11.680 -0.314 -6.181 1.00 0.00 C ATOM 0 HA THR B 15 -12.094 0.519 -2.839 1.00 0.00 H new ATOM 0 HB THR B 15 -12.918 -1.086 -4.565 1.00 0.00 H new ATOM 0 HG1 THR B 15 -10.931 -1.383 -3.243 1.00 0.00 H new ATOM 0 HG21 THR B 15 -11.522 -1.268 -6.685 1.00 0.00 H new ATOM 0 HG22 THR B 15 -12.525 0.202 -6.637 1.00 0.00 H new ATOM 0 HG23 THR B 15 -10.785 0.300 -6.278 1.00 0.00 H new ATOM 1069 N VAL B 16 -10.043 1.694 -3.568 1.00 0.00 N ATOM 1070 CA VAL B 16 -8.893 2.566 -3.706 1.00 0.00 C ATOM 1071 C VAL B 16 -7.921 1.815 -4.612 1.00 0.00 C ATOM 1072 O VAL B 16 -7.915 0.584 -4.627 1.00 0.00 O ATOM 1073 CB VAL B 16 -8.256 2.822 -2.321 1.00 0.00 C ATOM 1074 CG1 VAL B 16 -7.117 3.851 -2.386 1.00 0.00 C ATOM 1075 CG2 VAL B 16 -9.289 3.299 -1.301 1.00 0.00 C ATOM 0 H VAL B 16 -9.884 0.939 -2.901 1.00 0.00 H new ATOM 0 HA VAL B 16 -9.161 3.537 -4.122 1.00 0.00 H new ATOM 0 HB VAL B 16 -7.848 1.862 -2.003 1.00 0.00 H new ATOM 0 HG11 VAL B 16 -6.701 3.997 -1.389 1.00 0.00 H new ATOM 0 HG12 VAL B 16 -6.337 3.488 -3.055 1.00 0.00 H new ATOM 0 HG13 VAL B 16 -7.504 4.799 -2.760 1.00 0.00 H new ATOM 0 HG21 VAL B 16 -8.801 3.468 -0.341 1.00 0.00 H new ATOM 0 HG22 VAL B 16 -9.740 4.229 -1.647 1.00 0.00 H new ATOM 0 HG23 VAL B 16 -10.064 2.541 -1.186 1.00 0.00 H new ATOM 1085 N VAL B 17 -7.083 2.533 -5.346 1.00 0.00 N ATOM 1086 CA VAL B 17 -6.074 1.976 -6.226 1.00 0.00 C ATOM 1087 C VAL B 17 -4.944 2.997 -6.163 1.00 0.00 C ATOM 1088 O VAL B 17 -5.112 4.141 -6.596 1.00 0.00 O ATOM 1089 CB VAL B 17 -6.676 1.679 -7.613 1.00 0.00 C ATOM 1090 CG1 VAL B 17 -7.096 2.914 -8.406 1.00 0.00 C ATOM 1091 CG2 VAL B 17 -5.718 0.825 -8.447 1.00 0.00 C ATOM 0 H VAL B 17 -7.090 3.553 -5.343 1.00 0.00 H new ATOM 0 HA VAL B 17 -5.683 1.000 -5.940 1.00 0.00 H new ATOM 0 HB VAL B 17 -7.595 1.129 -7.409 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -7.508 2.606 -9.367 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -7.852 3.465 -7.847 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -6.228 3.553 -8.571 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -6.162 0.627 -9.422 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -4.776 1.358 -8.579 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -5.532 -0.119 -7.935 1.00 0.00 H new ATOM 1101 N ARG B 18 -3.811 2.647 -5.554 1.00 0.00 N ATOM 1102 CA ARG B 18 -2.699 3.588 -5.427 1.00 0.00 C ATOM 1103 C ARG B 18 -1.334 2.923 -5.523 1.00 0.00 C ATOM 1104 O ARG B 18 -1.201 1.717 -5.305 1.00 0.00 O ATOM 1105 CB ARG B 18 -2.886 4.390 -4.128 1.00 0.00 C ATOM 1106 CG ARG B 18 -2.039 5.667 -4.144 1.00 0.00 C ATOM 1107 CD ARG B 18 -2.686 6.767 -3.316 1.00 0.00 C ATOM 1108 NE ARG B 18 -1.797 7.927 -3.224 1.00 0.00 N ATOM 1109 CZ ARG B 18 -2.007 9.038 -2.513 1.00 0.00 C ATOM 1110 NH1 ARG B 18 -3.134 9.222 -1.829 1.00 0.00 N ATOM 1111 NH2 ARG B 18 -1.065 9.967 -2.484 1.00 0.00 N ATOM 0 H ARG B 18 -3.640 1.728 -5.145 1.00 0.00 H new ATOM 0 HA ARG B 18 -2.718 4.271 -6.276 1.00 0.00 H new ATOM 0 HB2 ARG B 18 -3.938 4.648 -4.004 1.00 0.00 H new ATOM 0 HB3 ARG B 18 -2.606 3.775 -3.273 1.00 0.00 H new ATOM 0 HG2 ARG B 18 -1.044 5.452 -3.754 1.00 0.00 H new ATOM 0 HG3 ARG B 18 -1.911 6.009 -5.171 1.00 0.00 H new ATOM 0 HD2 ARG B 18 -3.633 7.062 -3.768 1.00 0.00 H new ATOM 0 HD3 ARG B 18 -2.912 6.394 -2.317 1.00 0.00 H new ATOM 0 HE ARG B 18 -0.929 7.882 -3.757 1.00 0.00 H new ATOM 0 HH11 ARG B 18 -3.860 8.506 -1.841 1.00 0.00 H new ATOM 0 HH12 ARG B 18 -3.271 10.079 -1.293 1.00 0.00 H new ATOM 0 HH21 ARG B 18 -0.196 9.828 -2.999 1.00 0.00 H new ATOM 0 HH22 ARG B 18 -1.208 10.822 -1.946 1.00 0.00 H new ATOM 1125 N THR B 19 -0.340 3.743 -5.856 1.00 0.00 N ATOM 1126 CA THR B 19 1.052 3.370 -6.029 1.00 0.00 C ATOM 1127 C THR B 19 1.761 3.575 -4.690 1.00 0.00 C ATOM 1128 O THR B 19 2.401 4.599 -4.442 1.00 0.00 O ATOM 1129 CB THR B 19 1.667 4.241 -7.136 1.00 0.00 C ATOM 1130 OG1 THR B 19 0.797 4.417 -8.250 1.00 0.00 O ATOM 1131 CG2 THR B 19 3.012 3.690 -7.611 1.00 0.00 C ATOM 0 H THR B 19 -0.498 4.737 -6.020 1.00 0.00 H new ATOM 0 HA THR B 19 1.156 2.327 -6.328 1.00 0.00 H new ATOM 0 HB THR B 19 1.827 5.219 -6.683 1.00 0.00 H new ATOM 0 HG1 THR B 19 1.236 4.979 -8.922 1.00 0.00 H new ATOM 0 HG21 THR B 19 3.413 4.334 -8.393 1.00 0.00 H new ATOM 0 HG22 THR B 19 3.709 3.659 -6.773 1.00 0.00 H new ATOM 0 HG23 THR B 19 2.874 2.683 -8.005 1.00 0.00 H new ATOM 1139 N LEU B 20 1.608 2.621 -3.782 1.00 0.00 N ATOM 1140 CA LEU B 20 2.220 2.696 -2.459 1.00 0.00 C ATOM 1141 C LEU B 20 3.647 2.151 -2.536 1.00 0.00 C ATOM 1142 O LEU B 20 3.853 0.939 -2.490 1.00 0.00 O ATOM 1143 CB LEU B 20 1.350 1.989 -1.400 1.00 0.00 C ATOM 1144 CG LEU B 20 1.346 2.688 -0.024 1.00 0.00 C ATOM 1145 CD1 LEU B 20 2.730 3.027 0.544 1.00 0.00 C ATOM 1146 CD2 LEU B 20 0.522 3.980 -0.054 1.00 0.00 C ATOM 0 H LEU B 20 1.059 1.776 -3.939 1.00 0.00 H new ATOM 0 HA LEU B 20 2.280 3.735 -2.135 1.00 0.00 H new ATOM 0 HB2 LEU B 20 0.326 1.927 -1.768 1.00 0.00 H new ATOM 0 HB3 LEU B 20 1.706 0.966 -1.276 1.00 0.00 H new ATOM 0 HG LEU B 20 0.899 1.944 0.635 1.00 0.00 H new ATOM 0 HD11 LEU B 20 2.616 3.515 1.512 1.00 0.00 H new ATOM 0 HD12 LEU B 20 3.308 2.111 0.665 1.00 0.00 H new ATOM 0 HD13 LEU B 20 3.250 3.697 -0.141 1.00 0.00 H new ATOM 0 HD21 LEU B 20 0.541 4.446 0.931 1.00 0.00 H new ATOM 0 HD22 LEU B 20 0.946 4.665 -0.788 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -0.508 3.749 -0.326 1.00 0.00 H new ATOM 1158 N ARG B 21 4.622 3.034 -2.753 1.00 0.00 N ATOM 1159 CA ARG B 21 6.032 2.659 -2.831 1.00 0.00 C ATOM 1160 C ARG B 21 6.601 2.446 -1.424 1.00 0.00 C ATOM 1161 O ARG B 21 6.111 3.064 -0.476 1.00 0.00 O ATOM 1162 CB ARG B 21 6.833 3.753 -3.556 1.00 0.00 C ATOM 1163 CG ARG B 21 6.546 3.838 -5.068 1.00 0.00 C ATOM 1164 CD ARG B 21 7.691 3.268 -5.915 1.00 0.00 C ATOM 1165 NE ARG B 21 8.922 4.060 -5.767 1.00 0.00 N ATOM 1166 CZ ARG B 21 9.287 5.127 -6.486 1.00 0.00 C ATOM 1167 NH1 ARG B 21 8.599 5.512 -7.556 1.00 0.00 N ATOM 1168 NH2 ARG B 21 10.354 5.831 -6.139 1.00 0.00 N ATOM 0 H ARG B 21 4.455 4.032 -2.880 1.00 0.00 H new ATOM 0 HA ARG B 21 6.114 1.728 -3.392 1.00 0.00 H new ATOM 0 HB2 ARG B 21 6.609 4.717 -3.099 1.00 0.00 H new ATOM 0 HB3 ARG B 21 7.897 3.569 -3.408 1.00 0.00 H new ATOM 0 HG2 ARG B 21 5.628 3.295 -5.292 1.00 0.00 H new ATOM 0 HG3 ARG B 21 6.377 4.879 -5.345 1.00 0.00 H new ATOM 0 HD2 ARG B 21 7.884 2.237 -5.620 1.00 0.00 H new ATOM 0 HD3 ARG B 21 7.394 3.249 -6.964 1.00 0.00 H new ATOM 0 HE ARG B 21 9.568 3.763 -5.036 1.00 0.00 H new ATOM 0 HH11 ARG B 21 7.772 4.990 -7.845 1.00 0.00 H new ATOM 0 HH12 ARG B 21 8.898 6.330 -8.088 1.00 0.00 H new ATOM 0 HH21 ARG B 21 10.900 5.560 -5.321 1.00 0.00 H new ATOM 0 HH22 ARG B 21 10.630 6.644 -6.690 1.00 0.00 H new ATOM 1182 N PHE B 22 7.647 1.626 -1.300 1.00 0.00 N ATOM 1183 CA PHE B 22 8.341 1.310 -0.041 1.00 0.00 C ATOM 1184 C PHE B 22 9.841 1.223 -0.329 1.00 0.00 C ATOM 1185 O PHE B 22 10.231 1.305 -1.499 1.00 0.00 O ATOM 1186 CB PHE B 22 7.847 -0.018 0.571 1.00 0.00 C ATOM 1187 CG PHE B 22 6.404 -0.064 1.033 1.00 0.00 C ATOM 1188 CD1 PHE B 22 5.377 -0.370 0.122 1.00 0.00 C ATOM 1189 CD2 PHE B 22 6.091 0.129 2.391 1.00 0.00 C ATOM 1190 CE1 PHE B 22 4.045 -0.449 0.561 1.00 0.00 C ATOM 1191 CE2 PHE B 22 4.760 0.040 2.832 1.00 0.00 C ATOM 1192 CZ PHE B 22 3.731 -0.240 1.917 1.00 0.00 C ATOM 0 H PHE B 22 8.052 1.143 -2.102 1.00 0.00 H new ATOM 0 HA PHE B 22 8.130 2.097 0.683 1.00 0.00 H new ATOM 0 HB2 PHE B 22 7.992 -0.807 -0.167 1.00 0.00 H new ATOM 0 HB3 PHE B 22 8.484 -0.257 1.423 1.00 0.00 H new ATOM 0 HD1 PHE B 22 5.613 -0.545 -0.917 1.00 0.00 H new ATOM 0 HD2 PHE B 22 6.878 0.347 3.098 1.00 0.00 H new ATOM 0 HE1 PHE B 22 3.258 -0.671 -0.145 1.00 0.00 H new ATOM 0 HE2 PHE B 22 4.527 0.187 3.876 1.00 0.00 H new ATOM 0 HZ PHE B 22 2.706 -0.294 2.252 1.00 0.00 H new ATOM 1202 N SER B 23 10.675 1.061 0.700 1.00 0.00 N ATOM 1203 CA SER B 23 12.131 0.953 0.569 1.00 0.00 C ATOM 1204 C SER B 23 12.573 -0.515 0.749 1.00 0.00 C ATOM 1205 O SER B 23 11.713 -1.340 1.059 1.00 0.00 O ATOM 1206 CB SER B 23 12.784 1.921 1.557 1.00 0.00 C ATOM 1207 OG SER B 23 12.125 3.172 1.583 1.00 0.00 O ATOM 0 H SER B 23 10.352 1.000 1.666 1.00 0.00 H new ATOM 0 HA SER B 23 12.459 1.240 -0.430 1.00 0.00 H new ATOM 0 HB2 SER B 23 12.772 1.484 2.555 1.00 0.00 H new ATOM 0 HB3 SER B 23 13.829 2.067 1.285 1.00 0.00 H new ATOM 0 HG SER B 23 11.816 3.360 2.494 1.00 0.00 H new ATOM 1213 N PRO B 24 13.863 -0.886 0.607 1.00 0.00 N ATOM 1214 CA PRO B 24 14.266 -2.285 0.739 1.00 0.00 C ATOM 1215 C PRO B 24 14.332 -2.741 2.189 1.00 0.00 C ATOM 1216 O PRO B 24 14.169 -3.926 2.464 1.00 0.00 O ATOM 1217 CB PRO B 24 15.639 -2.383 0.077 1.00 0.00 C ATOM 1218 CG PRO B 24 16.226 -1.004 0.349 1.00 0.00 C ATOM 1219 CD PRO B 24 15.023 -0.067 0.269 1.00 0.00 C ATOM 0 HA PRO B 24 13.532 -2.938 0.266 1.00 0.00 H new ATOM 0 HB2 PRO B 24 16.245 -3.177 0.513 1.00 0.00 H new ATOM 0 HB3 PRO B 24 15.563 -2.590 -0.990 1.00 0.00 H new ATOM 0 HG2 PRO B 24 16.702 -0.959 1.328 1.00 0.00 H new ATOM 0 HG3 PRO B 24 16.986 -0.742 -0.387 1.00 0.00 H new ATOM 0 HD2 PRO B 24 15.129 0.767 0.963 1.00 0.00 H new ATOM 0 HD3 PRO B 24 14.924 0.359 -0.729 1.00 0.00 H new ATOM 1227 N VAL B 25 14.617 -1.837 3.128 1.00 0.00 N ATOM 1228 CA VAL B 25 14.680 -2.202 4.538 1.00 0.00 C ATOM 1229 C VAL B 25 13.241 -2.366 5.030 1.00 0.00 C ATOM 1230 O VAL B 25 12.957 -3.250 5.838 1.00 0.00 O ATOM 1231 CB VAL B 25 15.522 -1.183 5.325 1.00 0.00 C ATOM 1232 CG1 VAL B 25 15.829 -1.727 6.727 1.00 0.00 C ATOM 1233 CG2 VAL B 25 16.854 -0.893 4.612 1.00 0.00 C ATOM 0 H VAL B 25 14.806 -0.853 2.936 1.00 0.00 H new ATOM 0 HA VAL B 25 15.194 -3.150 4.696 1.00 0.00 H new ATOM 0 HB VAL B 25 14.945 -0.261 5.394 1.00 0.00 H new ATOM 0 HG11 VAL B 25 16.425 -0.999 7.277 1.00 0.00 H new ATOM 0 HG12 VAL B 25 14.895 -1.908 7.260 1.00 0.00 H new ATOM 0 HG13 VAL B 25 16.385 -2.661 6.641 1.00 0.00 H new ATOM 0 HG21 VAL B 25 17.427 -0.170 5.192 1.00 0.00 H new ATOM 0 HG22 VAL B 25 17.425 -1.817 4.518 1.00 0.00 H new ATOM 0 HG23 VAL B 25 16.655 -0.487 3.620 1.00 0.00 H new ATOM 1243 N GLU B 26 12.326 -1.550 4.499 1.00 0.00 N ATOM 1244 CA GLU B 26 10.920 -1.605 4.837 1.00 0.00 C ATOM 1245 C GLU B 26 10.361 -2.904 4.263 1.00 0.00 C ATOM 1246 O GLU B 26 9.679 -3.626 4.986 1.00 0.00 O ATOM 1247 CB GLU B 26 10.181 -0.375 4.292 1.00 0.00 C ATOM 1248 CG GLU B 26 10.316 0.847 5.209 1.00 0.00 C ATOM 1249 CD GLU B 26 11.644 1.594 5.105 1.00 0.00 C ATOM 1250 OE1 GLU B 26 12.631 1.180 5.752 1.00 0.00 O ATOM 1251 OE2 GLU B 26 11.688 2.646 4.431 1.00 0.00 O ATOM 0 H GLU B 26 12.554 -0.828 3.816 1.00 0.00 H new ATOM 0 HA GLU B 26 10.781 -1.592 5.918 1.00 0.00 H new ATOM 0 HB2 GLU B 26 10.572 -0.129 3.305 1.00 0.00 H new ATOM 0 HB3 GLU B 26 9.125 -0.616 4.166 1.00 0.00 H new ATOM 0 HG2 GLU B 26 9.508 1.542 4.983 1.00 0.00 H new ATOM 0 HG3 GLU B 26 10.179 0.524 6.241 1.00 0.00 H new ATOM 1258 N ASP B 27 10.690 -3.228 3.003 1.00 0.00 N ATOM 1259 CA ASP B 27 10.235 -4.453 2.347 1.00 0.00 C ATOM 1260 C ASP B 27 10.743 -5.650 3.121 1.00 0.00 C ATOM 1261 O ASP B 27 9.953 -6.502 3.485 1.00 0.00 O ATOM 1262 CB ASP B 27 10.755 -4.581 0.909 1.00 0.00 C ATOM 1263 CG ASP B 27 10.029 -5.703 0.144 1.00 0.00 C ATOM 1264 OD1 ASP B 27 8.800 -5.585 -0.074 1.00 0.00 O ATOM 1265 OD2 ASP B 27 10.683 -6.687 -0.282 1.00 0.00 O ATOM 0 H ASP B 27 11.281 -2.643 2.413 1.00 0.00 H new ATOM 0 HA ASP B 27 9.146 -4.413 2.322 1.00 0.00 H new ATOM 0 HB2 ASP B 27 10.618 -3.635 0.386 1.00 0.00 H new ATOM 0 HB3 ASP B 27 11.826 -4.784 0.925 1.00 0.00 H new ATOM 1270 N GLU B 28 12.038 -5.679 3.442 1.00 0.00 N ATOM 1271 CA GLU B 28 12.669 -6.764 4.179 1.00 0.00 C ATOM 1272 C GLU B 28 12.058 -6.924 5.574 1.00 0.00 C ATOM 1273 O GLU B 28 12.156 -7.994 6.166 1.00 0.00 O ATOM 1274 CB GLU B 28 14.179 -6.501 4.201 1.00 0.00 C ATOM 1275 CG GLU B 28 15.021 -7.609 4.837 1.00 0.00 C ATOM 1276 CD GLU B 28 16.502 -7.364 4.546 1.00 0.00 C ATOM 1277 OE1 GLU B 28 17.090 -6.382 5.068 1.00 0.00 O ATOM 1278 OE2 GLU B 28 17.087 -8.083 3.701 1.00 0.00 O ATOM 0 H GLU B 28 12.686 -4.932 3.190 1.00 0.00 H new ATOM 0 HA GLU B 28 12.490 -7.720 3.686 1.00 0.00 H new ATOM 0 HB2 GLU B 28 14.521 -6.349 3.177 1.00 0.00 H new ATOM 0 HB3 GLU B 28 14.363 -5.572 4.740 1.00 0.00 H new ATOM 0 HG2 GLU B 28 14.852 -7.635 5.913 1.00 0.00 H new ATOM 0 HG3 GLU B 28 14.719 -8.580 4.443 1.00 0.00 H new ATOM 1285 N THR B 29 11.439 -5.885 6.132 1.00 0.00 N ATOM 1286 CA THR B 29 10.814 -5.982 7.439 1.00 0.00 C ATOM 1287 C THR B 29 9.399 -6.536 7.248 1.00 0.00 C ATOM 1288 O THR B 29 9.040 -7.545 7.855 1.00 0.00 O ATOM 1289 CB THR B 29 10.836 -4.600 8.124 1.00 0.00 C ATOM 1290 OG1 THR B 29 12.167 -4.113 8.248 1.00 0.00 O ATOM 1291 CG2 THR B 29 10.210 -4.645 9.518 1.00 0.00 C ATOM 0 H THR B 29 11.360 -4.967 5.694 1.00 0.00 H new ATOM 0 HA THR B 29 11.356 -6.662 8.096 1.00 0.00 H new ATOM 0 HB THR B 29 10.251 -3.934 7.490 1.00 0.00 H new ATOM 0 HG1 THR B 29 12.570 -4.032 7.358 1.00 0.00 H new ATOM 0 HG21 THR B 29 10.246 -3.652 9.965 1.00 0.00 H new ATOM 0 HG22 THR B 29 9.173 -4.971 9.441 1.00 0.00 H new ATOM 0 HG23 THR B 29 10.765 -5.345 10.143 1.00 0.00 H new ATOM 1299 N ILE B 30 8.607 -5.893 6.385 1.00 0.00 N ATOM 1300 CA ILE B 30 7.231 -6.267 6.089 1.00 0.00 C ATOM 1301 C ILE B 30 7.176 -7.693 5.568 1.00 0.00 C ATOM 1302 O ILE B 30 6.328 -8.462 5.988 1.00 0.00 O ATOM 1303 CB ILE B 30 6.596 -5.244 5.118 1.00 0.00 C ATOM 1304 CG1 ILE B 30 6.334 -3.944 5.905 1.00 0.00 C ATOM 1305 CG2 ILE B 30 5.275 -5.763 4.505 1.00 0.00 C ATOM 1306 CD1 ILE B 30 6.096 -2.716 5.026 1.00 0.00 C ATOM 0 H ILE B 30 8.919 -5.076 5.861 1.00 0.00 H new ATOM 0 HA ILE B 30 6.638 -6.243 7.003 1.00 0.00 H new ATOM 0 HB ILE B 30 7.282 -5.072 4.289 1.00 0.00 H new ATOM 0 HG12 ILE B 30 5.466 -4.090 6.548 1.00 0.00 H new ATOM 0 HG13 ILE B 30 7.185 -3.750 6.558 1.00 0.00 H new ATOM 0 HG21 ILE B 30 4.867 -5.011 3.830 1.00 0.00 H new ATOM 0 HG22 ILE B 30 5.467 -6.681 3.950 1.00 0.00 H new ATOM 0 HG23 ILE B 30 4.558 -5.963 5.301 1.00 0.00 H new ATOM 0 HD11 ILE B 30 5.920 -1.845 5.657 1.00 0.00 H new ATOM 0 HD12 ILE B 30 6.972 -2.540 4.402 1.00 0.00 H new ATOM 0 HD13 ILE B 30 5.226 -2.886 4.391 1.00 0.00 H new ATOM 1318 N ARG B 31 8.050 -8.057 4.637 1.00 0.00 N ATOM 1319 CA ARG B 31 8.107 -9.379 4.041 1.00 0.00 C ATOM 1320 C ARG B 31 8.364 -10.423 5.110 1.00 0.00 C ATOM 1321 O ARG B 31 7.621 -11.401 5.177 1.00 0.00 O ATOM 1322 CB ARG B 31 9.197 -9.407 2.958 1.00 0.00 C ATOM 1323 CG ARG B 31 9.244 -10.762 2.253 1.00 0.00 C ATOM 1324 CD ARG B 31 10.467 -10.850 1.343 1.00 0.00 C ATOM 1325 NE ARG B 31 10.536 -12.182 0.741 1.00 0.00 N ATOM 1326 CZ ARG B 31 9.772 -12.621 -0.258 1.00 0.00 C ATOM 1327 NH1 ARG B 31 9.172 -11.771 -1.090 1.00 0.00 N ATOM 1328 NH2 ARG B 31 9.586 -13.927 -0.392 1.00 0.00 N ATOM 0 H ARG B 31 8.756 -7.420 4.268 1.00 0.00 H new ATOM 0 HA ARG B 31 7.151 -9.612 3.573 1.00 0.00 H new ATOM 0 HB2 ARG B 31 9.007 -8.621 2.227 1.00 0.00 H new ATOM 0 HB3 ARG B 31 10.166 -9.195 3.409 1.00 0.00 H new ATOM 0 HG2 ARG B 31 9.275 -11.562 2.992 1.00 0.00 H new ATOM 0 HG3 ARG B 31 8.336 -10.905 1.667 1.00 0.00 H new ATOM 0 HD2 ARG B 31 10.408 -10.090 0.564 1.00 0.00 H new ATOM 0 HD3 ARG B 31 11.373 -10.651 1.915 1.00 0.00 H new ATOM 0 HE ARG B 31 11.228 -12.829 1.118 1.00 0.00 H new ATOM 0 HH11 ARG B 31 9.294 -10.766 -0.968 1.00 0.00 H new ATOM 0 HH12 ARG B 31 8.591 -12.125 -1.849 1.00 0.00 H new ATOM 0 HH21 ARG B 31 10.024 -14.574 0.263 1.00 0.00 H new ATOM 0 HH22 ARG B 31 9.005 -14.284 -1.150 1.00 0.00 H new ATOM 1342 N LYS B 32 9.409 -10.228 5.921 1.00 0.00 N ATOM 1343 CA LYS B 32 9.738 -11.192 6.961 1.00 0.00 C ATOM 1344 C LYS B 32 8.573 -11.353 7.926 1.00 0.00 C ATOM 1345 O LYS B 32 8.183 -12.479 8.221 1.00 0.00 O ATOM 1346 CB LYS B 32 11.036 -10.829 7.709 1.00 0.00 C ATOM 1347 CG LYS B 32 12.255 -11.548 7.105 1.00 0.00 C ATOM 1348 CD LYS B 32 12.767 -10.972 5.783 1.00 0.00 C ATOM 1349 CE LYS B 32 13.749 -11.943 5.117 1.00 0.00 C ATOM 1350 NZ LYS B 32 13.705 -11.863 3.642 1.00 0.00 N ATOM 0 H LYS B 32 10.031 -9.421 5.874 1.00 0.00 H new ATOM 0 HA LYS B 32 9.919 -12.149 6.471 1.00 0.00 H new ATOM 0 HB2 LYS B 32 11.191 -9.751 7.668 1.00 0.00 H new ATOM 0 HB3 LYS B 32 10.938 -11.098 8.761 1.00 0.00 H new ATOM 0 HG2 LYS B 32 13.067 -11.523 7.832 1.00 0.00 H new ATOM 0 HG3 LYS B 32 11.998 -12.596 6.950 1.00 0.00 H new ATOM 0 HD2 LYS B 32 11.928 -10.779 5.115 1.00 0.00 H new ATOM 0 HD3 LYS B 32 13.258 -10.015 5.962 1.00 0.00 H new ATOM 0 HE2 LYS B 32 14.760 -11.725 5.460 1.00 0.00 H new ATOM 0 HE3 LYS B 32 13.518 -12.961 5.430 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 14.386 -12.537 3.237 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 12.747 -12.096 3.310 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 13.951 -10.899 3.339 1.00 0.00 H new ATOM 1364 N LYS B 33 8.003 -10.249 8.414 1.00 0.00 N ATOM 1365 CA LYS B 33 6.902 -10.323 9.367 1.00 0.00 C ATOM 1366 C LYS B 33 5.642 -10.907 8.742 1.00 0.00 C ATOM 1367 O LYS B 33 4.956 -11.688 9.392 1.00 0.00 O ATOM 1368 CB LYS B 33 6.657 -8.952 10.011 1.00 0.00 C ATOM 1369 CG LYS B 33 6.036 -9.082 11.413 1.00 0.00 C ATOM 1370 CD LYS B 33 6.950 -9.704 12.486 1.00 0.00 C ATOM 1371 CE LYS B 33 8.246 -8.909 12.711 1.00 0.00 C ATOM 1372 NZ LYS B 33 8.018 -7.671 13.485 1.00 0.00 N ATOM 0 H LYS B 33 8.286 -9.301 8.165 1.00 0.00 H new ATOM 0 HA LYS B 33 7.188 -11.014 10.160 1.00 0.00 H new ATOM 0 HB2 LYS B 33 7.600 -8.409 10.080 1.00 0.00 H new ATOM 0 HB3 LYS B 33 5.996 -8.364 9.374 1.00 0.00 H new ATOM 0 HG2 LYS B 33 5.731 -8.091 11.750 1.00 0.00 H new ATOM 0 HG3 LYS B 33 5.131 -9.685 11.337 1.00 0.00 H new ATOM 0 HD2 LYS B 33 6.403 -9.769 13.427 1.00 0.00 H new ATOM 0 HD3 LYS B 33 7.203 -10.723 12.193 1.00 0.00 H new ATOM 0 HE2 LYS B 33 8.967 -9.535 13.236 1.00 0.00 H new ATOM 0 HE3 LYS B 33 8.686 -8.656 11.747 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 8.920 -7.169 13.611 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 7.350 -7.060 12.973 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 7.623 -7.912 14.416 1.00 0.00 H new ATOM 1386 N ALA B 34 5.347 -10.572 7.489 1.00 0.00 N ATOM 1387 CA ALA B 34 4.191 -11.070 6.766 1.00 0.00 C ATOM 1388 C ALA B 34 4.281 -12.592 6.683 1.00 0.00 C ATOM 1389 O ALA B 34 3.355 -13.302 7.075 1.00 0.00 O ATOM 1390 CB ALA B 34 4.158 -10.434 5.368 1.00 0.00 C ATOM 0 H ALA B 34 5.921 -9.932 6.940 1.00 0.00 H new ATOM 0 HA ALA B 34 3.268 -10.805 7.282 1.00 0.00 H new ATOM 0 HB1 ALA B 34 3.292 -10.804 4.820 1.00 0.00 H new ATOM 0 HB2 ALA B 34 4.091 -9.350 5.463 1.00 0.00 H new ATOM 0 HB3 ALA B 34 5.068 -10.695 4.828 1.00 0.00 H new ATOM 1396 N GLU B 35 5.415 -13.104 6.200 1.00 0.00 N ATOM 1397 CA GLU B 35 5.600 -14.542 6.056 1.00 0.00 C ATOM 1398 C GLU B 35 5.617 -15.228 7.428 1.00 0.00 C ATOM 1399 O GLU B 35 5.189 -16.380 7.549 1.00 0.00 O ATOM 1400 CB GLU B 35 6.851 -14.848 5.217 1.00 0.00 C ATOM 1401 CG GLU B 35 6.613 -16.074 4.322 1.00 0.00 C ATOM 1402 CD GLU B 35 7.891 -16.572 3.642 1.00 0.00 C ATOM 1403 OE1 GLU B 35 8.540 -15.811 2.893 1.00 0.00 O ATOM 1404 OE2 GLU B 35 8.247 -17.765 3.793 1.00 0.00 O ATOM 0 H GLU B 35 6.214 -12.543 5.904 1.00 0.00 H new ATOM 0 HA GLU B 35 4.751 -14.956 5.512 1.00 0.00 H new ATOM 0 HB2 GLU B 35 7.103 -13.985 4.601 1.00 0.00 H new ATOM 0 HB3 GLU B 35 7.701 -15.030 5.874 1.00 0.00 H new ATOM 0 HG2 GLU B 35 6.189 -16.879 4.922 1.00 0.00 H new ATOM 0 HG3 GLU B 35 5.876 -15.823 3.559 1.00 0.00 H new ATOM 1411 N ASP B 36 6.089 -14.541 8.471 1.00 0.00 N ATOM 1412 CA ASP B 36 6.141 -15.054 9.839 1.00 0.00 C ATOM 1413 C ASP B 36 4.708 -15.213 10.345 1.00 0.00 C ATOM 1414 O ASP B 36 4.360 -16.230 10.945 1.00 0.00 O ATOM 1415 CB ASP B 36 6.926 -14.103 10.745 1.00 0.00 C ATOM 1416 CG ASP B 36 7.142 -14.704 12.127 1.00 0.00 C ATOM 1417 OD1 ASP B 36 8.101 -15.502 12.251 1.00 0.00 O ATOM 1418 OD2 ASP B 36 6.423 -14.320 13.078 1.00 0.00 O ATOM 0 H ASP B 36 6.453 -13.592 8.384 1.00 0.00 H new ATOM 0 HA ASP B 36 6.652 -16.017 9.853 1.00 0.00 H new ATOM 0 HB2 ASP B 36 7.890 -13.878 10.290 1.00 0.00 H new ATOM 0 HB3 ASP B 36 6.389 -13.159 10.837 1.00 0.00 H new ATOM 1423 N SER B 37 3.852 -14.230 10.054 1.00 0.00 N ATOM 1424 CA SER B 37 2.447 -14.226 10.432 1.00 0.00 C ATOM 1425 C SER B 37 1.648 -15.196 9.555 1.00 0.00 C ATOM 1426 O SER B 37 0.592 -15.671 9.961 1.00 0.00 O ATOM 1427 CB SER B 37 1.867 -12.810 10.256 1.00 0.00 C ATOM 1428 OG SER B 37 1.250 -12.351 11.442 1.00 0.00 O ATOM 0 H SER B 37 4.129 -13.396 9.536 1.00 0.00 H new ATOM 0 HA SER B 37 2.372 -14.538 11.474 1.00 0.00 H new ATOM 0 HB2 SER B 37 2.663 -12.123 9.970 1.00 0.00 H new ATOM 0 HB3 SER B 37 1.140 -12.812 9.444 1.00 0.00 H new ATOM 0 HG SER B 37 0.894 -11.449 11.298 1.00 0.00 H new ATOM 1434 N GLY B 38 2.157 -15.541 8.373 1.00 0.00 N ATOM 1435 CA GLY B 38 1.481 -16.412 7.426 1.00 0.00 C ATOM 1436 C GLY B 38 0.524 -15.585 6.553 1.00 0.00 C ATOM 1437 O GLY B 38 -0.092 -16.120 5.631 1.00 0.00 O ATOM 0 H GLY B 38 3.066 -15.215 8.046 1.00 0.00 H new ATOM 0 HA2 GLY B 38 2.213 -16.921 6.799 1.00 0.00 H new ATOM 0 HA3 GLY B 38 0.927 -17.184 7.959 1.00 0.00 H new ATOM 1441 N LEU B 39 0.374 -14.295 6.865 1.00 0.00 N ATOM 1442 CA LEU B 39 -0.446 -13.306 6.203 1.00 0.00 C ATOM 1443 C LEU B 39 0.431 -12.702 5.125 1.00 0.00 C ATOM 1444 O LEU B 39 1.378 -11.996 5.459 1.00 0.00 O ATOM 1445 CB LEU B 39 -0.838 -12.170 7.180 1.00 0.00 C ATOM 1446 CG LEU B 39 -1.849 -12.541 8.272 1.00 0.00 C ATOM 1447 CD1 LEU B 39 -1.982 -11.388 9.276 1.00 0.00 C ATOM 1448 CD2 LEU B 39 -3.225 -12.841 7.676 1.00 0.00 C ATOM 0 H LEU B 39 0.872 -13.892 7.659 1.00 0.00 H new ATOM 0 HA LEU B 39 -1.357 -13.763 5.818 1.00 0.00 H new ATOM 0 HB2 LEU B 39 0.068 -11.803 7.661 1.00 0.00 H new ATOM 0 HB3 LEU B 39 -1.247 -11.343 6.599 1.00 0.00 H new ATOM 0 HG LEU B 39 -1.482 -13.436 8.774 1.00 0.00 H new ATOM 0 HD11 LEU B 39 -2.702 -11.659 10.048 1.00 0.00 H new ATOM 0 HD12 LEU B 39 -1.013 -11.192 9.736 1.00 0.00 H new ATOM 0 HD13 LEU B 39 -2.326 -10.492 8.758 1.00 0.00 H new ATOM 0 HD21 LEU B 39 -3.919 -13.101 8.475 1.00 0.00 H new ATOM 0 HD22 LEU B 39 -3.592 -11.961 7.148 1.00 0.00 H new ATOM 0 HD23 LEU B 39 -3.146 -13.675 6.979 1.00 0.00 H new ATOM 1460 N THR B 40 0.142 -12.972 3.855 1.00 0.00 N ATOM 1461 CA THR B 40 0.881 -12.425 2.720 1.00 0.00 C ATOM 1462 C THR B 40 1.055 -10.907 2.901 1.00 0.00 C ATOM 1463 O THR B 40 0.235 -10.267 3.556 1.00 0.00 O ATOM 1464 CB THR B 40 0.102 -12.789 1.441 1.00 0.00 C ATOM 1465 OG1 THR B 40 0.678 -12.228 0.274 1.00 0.00 O ATOM 1466 CG2 THR B 40 -1.377 -12.366 1.484 1.00 0.00 C ATOM 0 H THR B 40 -0.624 -13.587 3.581 1.00 0.00 H new ATOM 0 HA THR B 40 1.884 -12.845 2.648 1.00 0.00 H new ATOM 0 HB THR B 40 0.161 -13.877 1.400 1.00 0.00 H new ATOM 0 HG1 THR B 40 0.150 -12.489 -0.509 1.00 0.00 H new ATOM 0 HG21 THR B 40 -1.865 -12.653 0.552 1.00 0.00 H new ATOM 0 HG22 THR B 40 -1.872 -12.860 2.320 1.00 0.00 H new ATOM 0 HG23 THR B 40 -1.443 -11.285 1.610 1.00 0.00 H new ATOM 1474 N VAL B 41 2.078 -10.300 2.294 1.00 0.00 N ATOM 1475 CA VAL B 41 2.368 -8.868 2.391 1.00 0.00 C ATOM 1476 C VAL B 41 1.096 -8.023 2.207 1.00 0.00 C ATOM 1477 O VAL B 41 0.856 -7.090 2.977 1.00 0.00 O ATOM 1478 CB VAL B 41 3.503 -8.525 1.398 1.00 0.00 C ATOM 1479 CG1 VAL B 41 3.734 -7.017 1.244 1.00 0.00 C ATOM 1480 CG2 VAL B 41 4.827 -9.181 1.836 1.00 0.00 C ATOM 0 H VAL B 41 2.743 -10.803 1.707 1.00 0.00 H new ATOM 0 HA VAL B 41 2.720 -8.618 3.392 1.00 0.00 H new ATOM 0 HB VAL B 41 3.181 -8.917 0.433 1.00 0.00 H new ATOM 0 HG11 VAL B 41 4.543 -6.843 0.534 1.00 0.00 H new ATOM 0 HG12 VAL B 41 2.822 -6.545 0.878 1.00 0.00 H new ATOM 0 HG13 VAL B 41 4.001 -6.589 2.210 1.00 0.00 H new ATOM 0 HG21 VAL B 41 5.612 -8.927 1.124 1.00 0.00 H new ATOM 0 HG22 VAL B 41 5.103 -8.817 2.826 1.00 0.00 H new ATOM 0 HG23 VAL B 41 4.703 -10.263 1.869 1.00 0.00 H new ATOM 1490 N SER B 42 0.245 -8.363 1.238 1.00 0.00 N ATOM 1491 CA SER B 42 -0.989 -7.640 0.975 1.00 0.00 C ATOM 1492 C SER B 42 -1.992 -7.719 2.143 1.00 0.00 C ATOM 1493 O SER B 42 -2.724 -6.755 2.393 1.00 0.00 O ATOM 1494 CB SER B 42 -1.567 -8.130 -0.369 1.00 0.00 C ATOM 1495 OG SER B 42 -1.175 -9.462 -0.683 1.00 0.00 O ATOM 0 H SER B 42 0.398 -9.154 0.612 1.00 0.00 H new ATOM 0 HA SER B 42 -0.772 -6.575 0.892 1.00 0.00 H new ATOM 0 HB2 SER B 42 -2.655 -8.075 -0.334 1.00 0.00 H new ATOM 0 HB3 SER B 42 -1.240 -7.462 -1.166 1.00 0.00 H new ATOM 0 HG SER B 42 -1.568 -9.725 -1.541 1.00 0.00 H new ATOM 1501 N ALA B 43 -2.056 -8.855 2.840 1.00 0.00 N ATOM 1502 CA ALA B 43 -2.913 -9.114 3.990 1.00 0.00 C ATOM 1503 C ALA B 43 -2.326 -8.417 5.212 1.00 0.00 C ATOM 1504 O ALA B 43 -3.037 -7.761 5.965 1.00 0.00 O ATOM 1505 CB ALA B 43 -2.990 -10.621 4.261 1.00 0.00 C ATOM 0 H ALA B 43 -1.478 -9.661 2.601 1.00 0.00 H new ATOM 0 HA ALA B 43 -3.915 -8.736 3.785 1.00 0.00 H new ATOM 0 HB1 ALA B 43 -3.633 -10.803 5.122 1.00 0.00 H new ATOM 0 HB2 ALA B 43 -3.401 -11.127 3.388 1.00 0.00 H new ATOM 0 HB3 ALA B 43 -1.991 -11.005 4.466 1.00 0.00 H new ATOM 1511 N TYR B 44 -1.014 -8.538 5.388 1.00 0.00 N ATOM 1512 CA TYR B 44 -0.269 -7.945 6.476 1.00 0.00 C ATOM 1513 C TYR B 44 -0.518 -6.433 6.494 1.00 0.00 C ATOM 1514 O TYR B 44 -0.948 -5.902 7.510 1.00 0.00 O ATOM 1515 CB TYR B 44 1.203 -8.322 6.310 1.00 0.00 C ATOM 1516 CG TYR B 44 2.068 -7.783 7.418 1.00 0.00 C ATOM 1517 CD1 TYR B 44 2.650 -6.511 7.281 1.00 0.00 C ATOM 1518 CD2 TYR B 44 2.256 -8.531 8.596 1.00 0.00 C ATOM 1519 CE1 TYR B 44 3.437 -5.991 8.316 1.00 0.00 C ATOM 1520 CE2 TYR B 44 3.047 -8.013 9.633 1.00 0.00 C ATOM 1521 CZ TYR B 44 3.639 -6.739 9.496 1.00 0.00 C ATOM 1522 OH TYR B 44 4.387 -6.234 10.505 1.00 0.00 O ATOM 0 H TYR B 44 -0.425 -9.073 4.749 1.00 0.00 H new ATOM 0 HA TYR B 44 -0.595 -8.322 7.446 1.00 0.00 H new ATOM 0 HB2 TYR B 44 1.295 -9.408 6.278 1.00 0.00 H new ATOM 0 HB3 TYR B 44 1.566 -7.943 5.354 1.00 0.00 H new ATOM 0 HD1 TYR B 44 2.491 -5.937 6.380 1.00 0.00 H new ATOM 0 HD2 TYR B 44 1.793 -9.501 8.701 1.00 0.00 H new ATOM 0 HE1 TYR B 44 3.890 -5.016 8.211 1.00 0.00 H new ATOM 0 HE2 TYR B 44 3.202 -8.588 10.534 1.00 0.00 H new ATOM 0 HH TYR B 44 4.731 -5.353 10.248 1.00 0.00 H new ATOM 1532 N ILE B 45 -0.335 -5.743 5.362 1.00 0.00 N ATOM 1533 CA ILE B 45 -0.545 -4.301 5.244 1.00 0.00 C ATOM 1534 C ILE B 45 -1.955 -3.893 5.694 1.00 0.00 C ATOM 1535 O ILE B 45 -2.098 -3.084 6.611 1.00 0.00 O ATOM 1536 CB ILE B 45 -0.207 -3.844 3.803 1.00 0.00 C ATOM 1537 CG1 ILE B 45 1.310 -3.877 3.517 1.00 0.00 C ATOM 1538 CG2 ILE B 45 -0.773 -2.448 3.491 1.00 0.00 C ATOM 1539 CD1 ILE B 45 2.121 -2.878 4.341 1.00 0.00 C ATOM 0 H ILE B 45 -0.032 -6.180 4.491 1.00 0.00 H new ATOM 0 HA ILE B 45 0.133 -3.783 5.922 1.00 0.00 H new ATOM 0 HB ILE B 45 -0.690 -4.564 3.142 1.00 0.00 H new ATOM 0 HG12 ILE B 45 1.684 -4.882 3.713 1.00 0.00 H new ATOM 0 HG13 ILE B 45 1.474 -3.676 2.458 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -0.511 -2.169 2.470 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -1.858 -2.463 3.596 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -0.351 -1.721 4.185 1.00 0.00 H new ATOM 0 HD11 ILE B 45 3.176 -2.964 4.081 1.00 0.00 H new ATOM 0 HD12 ILE B 45 1.776 -1.866 4.128 1.00 0.00 H new ATOM 0 HD13 ILE B 45 1.990 -3.090 5.402 1.00 0.00 H new ATOM 1551 N ARG B 46 -3.003 -4.407 5.043 1.00 0.00 N ATOM 1552 CA ARG B 46 -4.388 -4.083 5.376 1.00 0.00 C ATOM 1553 C ARG B 46 -4.677 -4.332 6.850 1.00 0.00 C ATOM 1554 O ARG B 46 -5.284 -3.474 7.478 1.00 0.00 O ATOM 1555 CB ARG B 46 -5.391 -4.774 4.427 1.00 0.00 C ATOM 1556 CG ARG B 46 -5.499 -6.290 4.636 1.00 0.00 C ATOM 1557 CD ARG B 46 -6.409 -7.056 3.680 1.00 0.00 C ATOM 1558 NE ARG B 46 -7.684 -6.382 3.370 1.00 0.00 N ATOM 1559 CZ ARG B 46 -8.653 -5.990 4.211 1.00 0.00 C ATOM 1560 NH1 ARG B 46 -8.617 -6.243 5.519 1.00 0.00 N ATOM 1561 NH2 ARG B 46 -9.678 -5.321 3.714 1.00 0.00 N ATOM 0 H ARG B 46 -2.911 -5.062 4.267 1.00 0.00 H new ATOM 0 HA ARG B 46 -4.527 -3.014 5.215 1.00 0.00 H new ATOM 0 HB2 ARG B 46 -6.375 -4.327 4.566 1.00 0.00 H new ATOM 0 HB3 ARG B 46 -5.095 -4.579 3.396 1.00 0.00 H new ATOM 0 HG2 ARG B 46 -4.498 -6.714 4.564 1.00 0.00 H new ATOM 0 HG3 ARG B 46 -5.849 -6.468 5.653 1.00 0.00 H new ATOM 0 HD2 ARG B 46 -5.870 -7.231 2.749 1.00 0.00 H new ATOM 0 HD3 ARG B 46 -6.626 -8.033 4.111 1.00 0.00 H new ATOM 0 HE ARG B 46 -7.852 -6.188 2.383 1.00 0.00 H new ATOM 0 HH11 ARG B 46 -7.830 -6.754 5.918 1.00 0.00 H new ATOM 0 HH12 ARG B 46 -9.377 -5.925 6.121 1.00 0.00 H new ATOM 0 HH21 ARG B 46 -9.717 -5.116 2.716 1.00 0.00 H new ATOM 0 HH22 ARG B 46 -10.430 -5.010 4.329 1.00 0.00 H new ATOM 1575 N ASN B 47 -4.245 -5.472 7.384 1.00 0.00 N ATOM 1576 CA ASN B 47 -4.444 -5.871 8.766 1.00 0.00 C ATOM 1577 C ASN B 47 -3.760 -4.894 9.718 1.00 0.00 C ATOM 1578 O ASN B 47 -4.425 -4.287 10.554 1.00 0.00 O ATOM 1579 CB ASN B 47 -3.909 -7.301 8.927 1.00 0.00 C ATOM 1580 CG ASN B 47 -3.993 -7.801 10.356 1.00 0.00 C ATOM 1581 OD1 ASN B 47 -5.071 -8.086 10.868 1.00 0.00 O ATOM 1582 ND2 ASN B 47 -2.868 -7.966 11.025 1.00 0.00 N ATOM 0 H ASN B 47 -3.729 -6.165 6.842 1.00 0.00 H new ATOM 0 HA ASN B 47 -5.504 -5.852 9.019 1.00 0.00 H new ATOM 0 HB2 ASN B 47 -4.474 -7.971 8.279 1.00 0.00 H new ATOM 0 HB3 ASN B 47 -2.871 -7.336 8.595 1.00 0.00 H new ATOM 0 HD21 ASN B 47 -2.890 -8.333 11.976 1.00 0.00 H new ATOM 0 HD22 ASN B 47 -1.977 -7.726 10.591 1.00 0.00 H new ATOM 1589 N ALA B 48 -2.450 -4.702 9.556 1.00 0.00 N ATOM 1590 CA ALA B 48 -1.646 -3.823 10.399 1.00 0.00 C ATOM 1591 C ALA B 48 -2.140 -2.379 10.408 1.00 0.00 C ATOM 1592 O ALA B 48 -1.953 -1.683 11.402 1.00 0.00 O ATOM 1593 CB ALA B 48 -0.183 -3.850 9.937 1.00 0.00 C ATOM 0 H ALA B 48 -1.911 -5.162 8.822 1.00 0.00 H new ATOM 0 HA ALA B 48 -1.738 -4.203 11.416 1.00 0.00 H new ATOM 0 HB1 ALA B 48 0.411 -3.192 10.571 1.00 0.00 H new ATOM 0 HB2 ALA B 48 0.202 -4.867 10.008 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -0.122 -3.511 8.903 1.00 0.00 H new ATOM 1599 N ALA B 49 -2.737 -1.922 9.305 1.00 0.00 N ATOM 1600 CA ALA B 49 -3.235 -0.565 9.181 1.00 0.00 C ATOM 1601 C ALA B 49 -4.624 -0.345 9.792 1.00 0.00 C ATOM 1602 O ALA B 49 -4.953 0.788 10.133 1.00 0.00 O ATOM 1603 CB ALA B 49 -3.310 -0.230 7.705 1.00 0.00 C ATOM 0 H ALA B 49 -2.886 -2.492 8.472 1.00 0.00 H new ATOM 0 HA ALA B 49 -2.547 0.077 9.732 1.00 0.00 H new ATOM 0 HB1 ALA B 49 -3.682 0.787 7.581 1.00 0.00 H new ATOM 0 HB2 ALA B 49 -2.317 -0.309 7.263 1.00 0.00 H new ATOM 0 HB3 ALA B 49 -3.985 -0.926 7.208 1.00 0.00 H new ATOM 1609 N LEU B 50 -5.486 -1.364 9.828 1.00 0.00 N ATOM 1610 CA LEU B 50 -6.839 -1.226 10.382 1.00 0.00 C ATOM 1611 C LEU B 50 -6.837 -1.417 11.883 1.00 0.00 C ATOM 1612 O LEU B 50 -7.624 -0.777 12.584 1.00 0.00 O ATOM 1613 CB LEU B 50 -7.768 -2.287 9.793 1.00 0.00 C ATOM 1614 CG LEU B 50 -8.005 -2.088 8.295 1.00 0.00 C ATOM 1615 CD1 LEU B 50 -8.545 -3.399 7.740 1.00 0.00 C ATOM 1616 CD2 LEU B 50 -8.946 -0.925 7.998 1.00 0.00 C ATOM 0 H LEU B 50 -5.272 -2.298 9.479 1.00 0.00 H new ATOM 0 HA LEU B 50 -7.184 -0.223 10.130 1.00 0.00 H new ATOM 0 HB2 LEU B 50 -7.340 -3.275 9.962 1.00 0.00 H new ATOM 0 HB3 LEU B 50 -8.724 -2.260 10.316 1.00 0.00 H new ATOM 0 HG LEU B 50 -7.064 -1.825 7.811 1.00 0.00 H new ATOM 0 HD11 LEU B 50 -8.726 -3.294 6.670 1.00 0.00 H new ATOM 0 HD12 LEU B 50 -7.817 -4.193 7.908 1.00 0.00 H new ATOM 0 HD13 LEU B 50 -9.479 -3.650 8.243 1.00 0.00 H new ATOM 0 HD21 LEU B 50 -9.078 -0.830 6.920 1.00 0.00 H new ATOM 0 HD22 LEU B 50 -9.912 -1.110 8.467 1.00 0.00 H new ATOM 0 HD23 LEU B 50 -8.521 -0.003 8.394 1.00 0.00 H new ATOM 1628 N ASN B 51 -6.007 -2.349 12.336 1.00 0.00 N ATOM 1629 CA ASN B 51 -5.837 -2.685 13.745 1.00 0.00 C ATOM 1630 C ASN B 51 -5.084 -1.574 14.467 1.00 0.00 C ATOM 1631 O ASN B 51 -4.722 -1.814 15.640 1.00 0.00 O ATOM 1632 CB ASN B 51 -5.058 -3.998 13.906 1.00 0.00 C ATOM 1633 CG ASN B 51 -5.705 -5.197 13.239 1.00 0.00 C ATOM 1634 OD1 ASN B 51 -6.888 -5.218 12.912 1.00 0.00 O ATOM 1635 ND2 ASN B 51 -4.920 -6.230 13.011 1.00 0.00 N ATOM 0 H ASN B 51 -5.418 -2.907 11.718 1.00 0.00 H new ATOM 0 HA ASN B 51 -6.830 -2.802 14.180 1.00 0.00 H new ATOM 0 HB2 ASN B 51 -4.057 -3.865 13.495 1.00 0.00 H new ATOM 0 HB3 ASN B 51 -4.941 -4.209 14.969 1.00 0.00 H new ATOM 0 HD21 ASN B 51 -5.293 -7.063 12.556 1.00 0.00 H new ATOM 0 HD22 ASN B 51 -3.939 -6.196 13.289 1.00 0.00 H new