USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=20 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= 0.00441 X(o=0.023,f=0) USER MOD Set 1.2: B 51 ASN : amide:sc= 0.0183 X(o=0.023,f=0) USER MOD Set 2.1: A 40 THR OG1 : rot -106:sc= 0.0236 USER MOD Set 2.2: A 42 SER OG : rot 180:sc= 0.0337 USER MOD Single : A 15 THR OG1 : rot 13:sc= 0.695 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 82:sc= 1.26 USER MOD Single : A 32 LYS NZ :NH3+ 157:sc= -0.0748 (180deg=-0.453) USER MOD Single : A 33 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0124) USER MOD Single : A 37 SER OG : rot -36:sc= 0.0371 USER MOD Single : A 44 TYR OH : rot -168:sc= 0.292 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 51 ASN : amide:sc= 0.803 K(o=0.8,f=0) USER MOD Single : B 15 THR OG1 : rot 10:sc= 1.29 USER MOD Single : B 19 THR OG1 : rot 180:sc= 0 USER MOD Single : B 23 SER OG : rot 180:sc= 0 USER MOD Single : B 29 THR OG1 : rot 71:sc= 1.28 USER MOD Single : B 32 LYS NZ :NH3+ 169:sc= -0.0102 (180deg=-0.0995) USER MOD Single : B 33 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0249) USER MOD Single : B 37 SER OG : rot -37:sc= 0.471 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 21:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 234 N THR A 15 13.986 -0.002 -3.881 1.00 0.00 N ATOM 235 CA THR A 15 12.620 0.296 -3.511 1.00 0.00 C ATOM 236 C THR A 15 11.695 -0.751 -4.143 1.00 0.00 C ATOM 237 O THR A 15 12.068 -1.470 -5.079 1.00 0.00 O ATOM 238 CB THR A 15 12.299 1.720 -4.012 1.00 0.00 C ATOM 239 OG1 THR A 15 11.187 2.312 -3.371 1.00 0.00 O ATOM 240 CG2 THR A 15 12.041 1.745 -5.525 1.00 0.00 C ATOM 0 HA THR A 15 12.475 0.259 -2.431 1.00 0.00 H new ATOM 0 HB THR A 15 13.188 2.300 -3.765 1.00 0.00 H new ATOM 0 HG1 THR A 15 10.948 1.786 -2.579 1.00 0.00 H new ATOM 0 HG21 THR A 15 11.819 2.765 -5.839 1.00 0.00 H new ATOM 0 HG22 THR A 15 12.926 1.388 -6.051 1.00 0.00 H new ATOM 0 HG23 THR A 15 11.194 1.100 -5.760 1.00 0.00 H new ATOM 248 N VAL A 16 10.456 -0.758 -3.679 1.00 0.00 N ATOM 249 CA VAL A 16 9.383 -1.624 -4.129 1.00 0.00 C ATOM 250 C VAL A 16 8.286 -0.713 -4.674 1.00 0.00 C ATOM 251 O VAL A 16 8.211 0.449 -4.277 1.00 0.00 O ATOM 252 CB VAL A 16 8.842 -2.458 -2.955 1.00 0.00 C ATOM 253 CG1 VAL A 16 8.129 -3.703 -3.485 1.00 0.00 C ATOM 254 CG2 VAL A 16 9.898 -2.935 -1.960 1.00 0.00 C ATOM 0 H VAL A 16 10.158 -0.124 -2.938 1.00 0.00 H new ATOM 0 HA VAL A 16 9.735 -2.318 -4.892 1.00 0.00 H new ATOM 0 HB VAL A 16 8.173 -1.781 -2.424 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.749 -4.289 -2.648 1.00 0.00 H new ATOM 0 HG12 VAL A 16 7.299 -3.402 -4.124 1.00 0.00 H new ATOM 0 HG13 VAL A 16 8.831 -4.307 -4.061 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.419 -3.514 -1.170 1.00 0.00 H new ATOM 0 HG22 VAL A 16 10.628 -3.559 -2.475 1.00 0.00 H new ATOM 0 HG23 VAL A 16 10.402 -2.073 -1.523 1.00 0.00 H new ATOM 264 N VAL A 17 7.432 -1.222 -5.556 1.00 0.00 N ATOM 265 CA VAL A 17 6.331 -0.481 -6.138 1.00 0.00 C ATOM 266 C VAL A 17 5.178 -1.469 -6.310 1.00 0.00 C ATOM 267 O VAL A 17 5.355 -2.539 -6.908 1.00 0.00 O ATOM 268 CB VAL A 17 6.804 0.230 -7.423 1.00 0.00 C ATOM 269 CG1 VAL A 17 7.258 -0.699 -8.559 1.00 0.00 C ATOM 270 CG2 VAL A 17 5.731 1.203 -7.922 1.00 0.00 C ATOM 0 H VAL A 17 7.492 -2.184 -5.890 1.00 0.00 H new ATOM 0 HA VAL A 17 5.968 0.329 -5.506 1.00 0.00 H new ATOM 0 HB VAL A 17 7.702 0.773 -7.130 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.570 -0.101 -9.415 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.094 -1.309 -8.218 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.432 -1.347 -8.851 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.081 1.696 -8.829 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.814 0.654 -8.138 1.00 0.00 H new ATOM 0 HG23 VAL A 17 5.534 1.952 -7.155 1.00 0.00 H new ATOM 280 N ARG A 18 4.013 -1.175 -5.730 1.00 0.00 N ATOM 281 CA ARG A 18 2.837 -2.036 -5.835 1.00 0.00 C ATOM 282 C ARG A 18 1.577 -1.201 -5.650 1.00 0.00 C ATOM 283 O ARG A 18 1.649 -0.053 -5.203 1.00 0.00 O ATOM 284 CB ARG A 18 2.935 -3.178 -4.804 1.00 0.00 C ATOM 285 CG ARG A 18 1.840 -4.245 -4.955 1.00 0.00 C ATOM 286 CD ARG A 18 2.240 -5.626 -4.440 1.00 0.00 C ATOM 287 NE ARG A 18 3.012 -6.385 -5.433 1.00 0.00 N ATOM 288 CZ ARG A 18 3.077 -7.714 -5.532 1.00 0.00 C ATOM 289 NH1 ARG A 18 2.518 -8.500 -4.618 1.00 0.00 N ATOM 290 NH2 ARG A 18 3.708 -8.249 -6.567 1.00 0.00 N ATOM 0 H ARG A 18 3.860 -0.333 -5.175 1.00 0.00 H new ATOM 0 HA ARG A 18 2.790 -2.491 -6.824 1.00 0.00 H new ATOM 0 HB2 ARG A 18 3.910 -3.656 -4.897 1.00 0.00 H new ATOM 0 HB3 ARG A 18 2.881 -2.755 -3.801 1.00 0.00 H new ATOM 0 HG2 ARG A 18 0.949 -3.914 -4.421 1.00 0.00 H new ATOM 0 HG3 ARG A 18 1.569 -4.326 -6.008 1.00 0.00 H new ATOM 0 HD2 ARG A 18 2.830 -5.516 -3.530 1.00 0.00 H new ATOM 0 HD3 ARG A 18 1.344 -6.186 -4.173 1.00 0.00 H new ATOM 0 HE ARG A 18 3.549 -5.845 -6.111 1.00 0.00 H new ATOM 0 HH11 ARG A 18 2.028 -8.089 -3.823 1.00 0.00 H new ATOM 0 HH12 ARG A 18 2.579 -9.514 -4.711 1.00 0.00 H new ATOM 0 HH21 ARG A 18 4.134 -7.647 -7.271 1.00 0.00 H new ATOM 0 HH22 ARG A 18 3.768 -9.263 -6.659 1.00 0.00 H new ATOM 304 N THR A 19 0.448 -1.790 -6.028 1.00 0.00 N ATOM 305 CA THR A 19 -0.882 -1.225 -5.933 1.00 0.00 C ATOM 306 C THR A 19 -1.567 -1.993 -4.806 1.00 0.00 C ATOM 307 O THR A 19 -1.455 -3.221 -4.753 1.00 0.00 O ATOM 308 CB THR A 19 -1.637 -1.442 -7.256 1.00 0.00 C ATOM 309 OG1 THR A 19 -0.792 -1.209 -8.368 1.00 0.00 O ATOM 310 CG2 THR A 19 -2.878 -0.553 -7.385 1.00 0.00 C ATOM 0 H THR A 19 0.442 -2.727 -6.431 1.00 0.00 H new ATOM 0 HA THR A 19 -0.860 -0.153 -5.739 1.00 0.00 H new ATOM 0 HB THR A 19 -1.963 -2.482 -7.245 1.00 0.00 H new ATOM 0 HG1 THR A 19 -1.294 -1.355 -9.197 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.369 -0.750 -8.338 1.00 0.00 H new ATOM 0 HG22 THR A 19 -3.568 -0.770 -6.569 1.00 0.00 H new ATOM 0 HG23 THR A 19 -2.581 0.495 -7.340 1.00 0.00 H new ATOM 318 N LEU A 20 -2.271 -1.319 -3.899 1.00 0.00 N ATOM 319 CA LEU A 20 -2.963 -1.987 -2.806 1.00 0.00 C ATOM 320 C LEU A 20 -4.390 -1.490 -2.764 1.00 0.00 C ATOM 321 O LEU A 20 -4.650 -0.322 -2.469 1.00 0.00 O ATOM 322 CB LEU A 20 -2.280 -1.810 -1.440 1.00 0.00 C ATOM 323 CG LEU A 20 -0.984 -2.616 -1.246 1.00 0.00 C ATOM 324 CD1 LEU A 20 -0.439 -2.359 0.158 1.00 0.00 C ATOM 325 CD2 LEU A 20 -1.175 -4.138 -1.367 1.00 0.00 C ATOM 0 H LEU A 20 -2.376 -0.304 -3.903 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.934 -3.059 -3.003 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.056 -0.753 -1.298 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.986 -2.094 -0.659 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.309 -2.287 -2.036 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.480 -2.928 0.301 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.230 -1.296 0.278 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.177 -2.670 0.897 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.218 -4.638 -1.218 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.883 -4.477 -0.611 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.560 -4.379 -2.358 1.00 0.00 H new ATOM 337 N ARG A 21 -5.298 -2.376 -3.155 1.00 0.00 N ATOM 338 CA ARG A 21 -6.724 -2.115 -3.140 1.00 0.00 C ATOM 339 C ARG A 21 -7.195 -2.259 -1.693 1.00 0.00 C ATOM 340 O ARG A 21 -6.611 -3.026 -0.923 1.00 0.00 O ATOM 341 CB ARG A 21 -7.464 -3.123 -4.041 1.00 0.00 C ATOM 342 CG ARG A 21 -7.299 -2.872 -5.554 1.00 0.00 C ATOM 343 CD ARG A 21 -8.373 -1.934 -6.139 1.00 0.00 C ATOM 344 NE ARG A 21 -9.259 -2.603 -7.111 1.00 0.00 N ATOM 345 CZ ARG A 21 -10.201 -3.518 -6.844 1.00 0.00 C ATOM 346 NH1 ARG A 21 -10.504 -3.862 -5.599 1.00 0.00 N ATOM 347 NH2 ARG A 21 -10.869 -4.096 -7.831 1.00 0.00 N ATOM 0 H ARG A 21 -5.057 -3.307 -3.495 1.00 0.00 H new ATOM 0 HA ARG A 21 -6.934 -1.115 -3.519 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.106 -4.127 -3.811 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -8.526 -3.099 -3.795 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.314 -2.444 -5.739 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -7.335 -3.826 -6.079 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -8.976 -1.530 -5.326 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -7.884 -1.089 -6.624 1.00 0.00 H new ATOM 0 HE ARG A 21 -9.142 -2.341 -8.090 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -10.015 -3.427 -4.816 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -11.226 -4.562 -5.424 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -10.667 -3.845 -8.799 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -11.585 -4.792 -7.623 1.00 0.00 H new ATOM 361 N PHE A 22 -8.236 -1.519 -1.332 1.00 0.00 N ATOM 362 CA PHE A 22 -8.869 -1.530 -0.014 1.00 0.00 C ATOM 363 C PHE A 22 -10.367 -1.338 -0.250 1.00 0.00 C ATOM 364 O PHE A 22 -10.760 -0.887 -1.333 1.00 0.00 O ATOM 365 CB PHE A 22 -8.321 -0.427 0.919 1.00 0.00 C ATOM 366 CG PHE A 22 -6.849 -0.490 1.306 1.00 0.00 C ATOM 367 CD1 PHE A 22 -5.864 -0.049 0.403 1.00 0.00 C ATOM 368 CD2 PHE A 22 -6.453 -0.925 2.589 1.00 0.00 C ATOM 369 CE1 PHE A 22 -4.501 -0.090 0.750 1.00 0.00 C ATOM 370 CE2 PHE A 22 -5.091 -0.951 2.940 1.00 0.00 C ATOM 371 CZ PHE A 22 -4.113 -0.545 2.019 1.00 0.00 C ATOM 0 H PHE A 22 -8.683 -0.866 -1.976 1.00 0.00 H new ATOM 0 HA PHE A 22 -8.655 -2.473 0.489 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -8.501 0.536 0.441 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -8.909 -0.442 1.836 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -6.157 0.325 -0.567 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -7.199 -1.239 3.304 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -3.753 0.229 0.039 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.796 -1.285 3.924 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.067 -0.583 2.286 1.00 0.00 H new ATOM 381 N SER A 23 -11.199 -1.675 0.730 1.00 0.00 N ATOM 382 CA SER A 23 -12.655 -1.542 0.666 1.00 0.00 C ATOM 383 C SER A 23 -13.070 -0.182 1.251 1.00 0.00 C ATOM 384 O SER A 23 -12.250 0.461 1.903 1.00 0.00 O ATOM 385 CB SER A 23 -13.262 -2.746 1.397 1.00 0.00 C ATOM 386 OG SER A 23 -13.077 -3.894 0.591 1.00 0.00 O ATOM 0 H SER A 23 -10.872 -2.059 1.617 1.00 0.00 H new ATOM 0 HA SER A 23 -13.029 -1.552 -0.358 1.00 0.00 H new ATOM 0 HB2 SER A 23 -12.784 -2.882 2.367 1.00 0.00 H new ATOM 0 HB3 SER A 23 -14.323 -2.581 1.585 1.00 0.00 H new ATOM 0 HG SER A 23 -13.458 -4.676 1.043 1.00 0.00 H new ATOM 392 N PRO A 24 -14.322 0.284 1.082 1.00 0.00 N ATOM 393 CA PRO A 24 -14.762 1.581 1.595 1.00 0.00 C ATOM 394 C PRO A 24 -14.709 1.678 3.121 1.00 0.00 C ATOM 395 O PRO A 24 -14.534 2.771 3.660 1.00 0.00 O ATOM 396 CB PRO A 24 -16.186 1.780 1.065 1.00 0.00 C ATOM 397 CG PRO A 24 -16.673 0.351 0.850 1.00 0.00 C ATOM 398 CD PRO A 24 -15.408 -0.347 0.359 1.00 0.00 C ATOM 0 HA PRO A 24 -14.089 2.367 1.254 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -16.811 2.317 1.779 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -16.196 2.354 0.138 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -17.053 -0.093 1.770 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -17.477 0.301 0.116 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -15.446 -1.418 0.560 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -15.286 -0.229 -0.718 1.00 0.00 H new ATOM 406 N VAL A 25 -14.887 0.560 3.823 1.00 0.00 N ATOM 407 CA VAL A 25 -14.847 0.486 5.278 1.00 0.00 C ATOM 408 C VAL A 25 -13.395 0.743 5.711 1.00 0.00 C ATOM 409 O VAL A 25 -13.116 1.663 6.480 1.00 0.00 O ATOM 410 CB VAL A 25 -15.408 -0.893 5.698 1.00 0.00 C ATOM 411 CG1 VAL A 25 -15.237 -1.176 7.196 1.00 0.00 C ATOM 412 CG2 VAL A 25 -16.904 -0.992 5.347 1.00 0.00 C ATOM 0 H VAL A 25 -15.068 -0.342 3.382 1.00 0.00 H new ATOM 0 HA VAL A 25 -15.464 1.235 5.773 1.00 0.00 H new ATOM 0 HB VAL A 25 -14.833 -1.636 5.146 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -15.649 -2.157 7.430 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -14.177 -1.157 7.451 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -15.763 -0.415 7.772 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -17.285 -1.968 5.648 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -17.453 -0.210 5.872 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -17.034 -0.868 4.272 1.00 0.00 H new ATOM 422 N GLU A 26 -12.466 -0.039 5.162 1.00 0.00 N ATOM 423 CA GLU A 26 -11.035 0.037 5.433 1.00 0.00 C ATOM 424 C GLU A 26 -10.493 1.418 5.072 1.00 0.00 C ATOM 425 O GLU A 26 -9.735 2.006 5.831 1.00 0.00 O ATOM 426 CB GLU A 26 -10.322 -1.028 4.592 1.00 0.00 C ATOM 427 CG GLU A 26 -10.719 -2.468 4.943 1.00 0.00 C ATOM 428 CD GLU A 26 -10.623 -3.421 3.749 1.00 0.00 C ATOM 429 OE1 GLU A 26 -9.862 -3.149 2.781 1.00 0.00 O ATOM 430 OE2 GLU A 26 -11.414 -4.379 3.715 1.00 0.00 O ATOM 0 H GLU A 26 -12.701 -0.770 4.491 1.00 0.00 H new ATOM 0 HA GLU A 26 -10.859 -0.135 6.495 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.537 -0.849 3.539 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -9.245 -0.917 4.720 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.076 -2.832 5.744 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.740 -2.475 5.326 1.00 0.00 H new ATOM 437 N ASP A 27 -10.903 1.936 3.919 1.00 0.00 N ATOM 438 CA ASP A 27 -10.513 3.231 3.385 1.00 0.00 C ATOM 439 C ASP A 27 -10.958 4.349 4.301 1.00 0.00 C ATOM 440 O ASP A 27 -10.166 5.229 4.605 1.00 0.00 O ATOM 441 CB ASP A 27 -11.170 3.398 2.017 1.00 0.00 C ATOM 442 CG ASP A 27 -10.919 4.776 1.411 1.00 0.00 C ATOM 443 OD1 ASP A 27 -9.753 5.220 1.331 1.00 0.00 O ATOM 444 OD2 ASP A 27 -11.909 5.456 1.054 1.00 0.00 O ATOM 0 H ASP A 27 -11.547 1.438 3.304 1.00 0.00 H new ATOM 0 HA ASP A 27 -9.427 3.277 3.301 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -10.791 2.633 1.340 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -12.244 3.237 2.111 1.00 0.00 H new ATOM 449 N GLU A 28 -12.215 4.345 4.734 1.00 0.00 N ATOM 450 CA GLU A 28 -12.740 5.351 5.642 1.00 0.00 C ATOM 451 C GLU A 28 -11.925 5.312 6.932 1.00 0.00 C ATOM 452 O GLU A 28 -11.561 6.365 7.443 1.00 0.00 O ATOM 453 CB GLU A 28 -14.237 5.105 5.868 1.00 0.00 C ATOM 454 CG GLU A 28 -14.865 6.197 6.745 1.00 0.00 C ATOM 455 CD GLU A 28 -16.392 6.198 6.719 1.00 0.00 C ATOM 456 OE1 GLU A 28 -17.013 5.375 6.005 1.00 0.00 O ATOM 457 OE2 GLU A 28 -16.997 7.077 7.369 1.00 0.00 O ATOM 0 H GLU A 28 -12.899 3.639 4.462 1.00 0.00 H new ATOM 0 HA GLU A 28 -12.648 6.353 5.223 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -14.749 5.071 4.907 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -14.379 4.133 6.340 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -14.527 6.065 7.773 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -14.503 7.170 6.413 1.00 0.00 H new ATOM 464 N THR A 29 -11.611 4.115 7.430 1.00 0.00 N ATOM 465 CA THR A 29 -10.842 3.931 8.650 1.00 0.00 C ATOM 466 C THR A 29 -9.444 4.533 8.471 1.00 0.00 C ATOM 467 O THR A 29 -9.086 5.475 9.173 1.00 0.00 O ATOM 468 CB THR A 29 -10.789 2.427 9.001 1.00 0.00 C ATOM 469 OG1 THR A 29 -12.083 1.845 8.959 1.00 0.00 O ATOM 470 CG2 THR A 29 -10.197 2.171 10.387 1.00 0.00 C ATOM 0 H THR A 29 -11.890 3.239 6.988 1.00 0.00 H new ATOM 0 HA THR A 29 -11.319 4.449 9.482 1.00 0.00 H new ATOM 0 HB THR A 29 -10.144 1.970 8.251 1.00 0.00 H new ATOM 0 HG1 THR A 29 -12.311 1.621 8.033 1.00 0.00 H new ATOM 0 HG21 THR A 29 -10.183 1.099 10.584 1.00 0.00 H new ATOM 0 HG22 THR A 29 -9.180 2.561 10.426 1.00 0.00 H new ATOM 0 HG23 THR A 29 -10.806 2.670 11.141 1.00 0.00 H new ATOM 478 N ILE A 30 -8.674 4.035 7.500 1.00 0.00 N ATOM 479 CA ILE A 30 -7.317 4.485 7.219 1.00 0.00 C ATOM 480 C ILE A 30 -7.287 5.983 6.913 1.00 0.00 C ATOM 481 O ILE A 30 -6.368 6.679 7.330 1.00 0.00 O ATOM 482 CB ILE A 30 -6.675 3.599 6.128 1.00 0.00 C ATOM 483 CG1 ILE A 30 -6.510 2.161 6.678 1.00 0.00 C ATOM 484 CG2 ILE A 30 -5.300 4.160 5.687 1.00 0.00 C ATOM 485 CD1 ILE A 30 -6.160 1.110 5.622 1.00 0.00 C ATOM 0 H ILE A 30 -8.988 3.292 6.876 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.698 4.364 8.108 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.326 3.591 5.254 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.730 2.165 7.440 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.436 1.867 7.171 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.873 3.515 4.919 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.429 5.165 5.286 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.629 4.195 6.545 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -6.064 0.134 6.098 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.949 1.072 4.871 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -5.217 1.375 5.144 1.00 0.00 H new ATOM 497 N ARG A 31 -8.266 6.510 6.180 1.00 0.00 N ATOM 498 CA ARG A 31 -8.313 7.927 5.838 1.00 0.00 C ATOM 499 C ARG A 31 -8.602 8.770 7.075 1.00 0.00 C ATOM 500 O ARG A 31 -8.068 9.872 7.190 1.00 0.00 O ATOM 501 CB ARG A 31 -9.336 8.133 4.717 1.00 0.00 C ATOM 502 CG ARG A 31 -9.249 9.519 4.084 1.00 0.00 C ATOM 503 CD ARG A 31 -10.132 9.578 2.835 1.00 0.00 C ATOM 504 NE ARG A 31 -9.930 10.872 2.168 1.00 0.00 N ATOM 505 CZ ARG A 31 -9.673 11.141 0.884 1.00 0.00 C ATOM 506 NH1 ARG A 31 -9.712 10.191 -0.049 1.00 0.00 N ATOM 507 NH2 ARG A 31 -9.358 12.385 0.557 1.00 0.00 N ATOM 0 H ARG A 31 -9.046 5.967 5.808 1.00 0.00 H new ATOM 0 HA ARG A 31 -7.343 8.261 5.469 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -9.182 7.377 3.947 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -10.340 7.983 5.115 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -9.567 10.276 4.801 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -8.216 9.744 3.820 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -9.881 8.762 2.157 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -11.180 9.455 3.108 1.00 0.00 H new ATOM 0 HE ARG A 31 -9.996 11.688 2.777 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -9.942 9.232 0.209 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -9.512 10.423 -1.022 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -9.317 13.107 1.277 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -9.157 12.622 -0.415 1.00 0.00 H new ATOM 521 N LYS A 32 -9.451 8.292 7.985 1.00 0.00 N ATOM 522 CA LYS A 32 -9.776 9.011 9.211 1.00 0.00 C ATOM 523 C LYS A 32 -8.570 9.007 10.132 1.00 0.00 C ATOM 524 O LYS A 32 -8.202 10.061 10.637 1.00 0.00 O ATOM 525 CB LYS A 32 -10.973 8.363 9.941 1.00 0.00 C ATOM 526 CG LYS A 32 -12.288 9.120 9.711 1.00 0.00 C ATOM 527 CD LYS A 32 -12.781 9.091 8.258 1.00 0.00 C ATOM 528 CE LYS A 32 -13.665 10.293 7.913 1.00 0.00 C ATOM 529 NZ LYS A 32 -12.944 11.585 8.007 1.00 0.00 N ATOM 0 H LYS A 32 -9.931 7.397 7.891 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.047 10.033 8.945 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.087 7.334 9.601 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.763 8.324 11.010 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -13.058 8.693 10.353 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -12.156 10.157 10.018 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.922 9.072 7.587 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -13.341 8.172 8.086 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -14.055 10.173 6.902 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -14.523 10.312 8.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -13.424 12.294 7.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -12.936 11.907 8.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -11.966 11.462 7.675 1.00 0.00 H new ATOM 543 N LYS A 33 -7.977 7.835 10.347 1.00 0.00 N ATOM 544 CA LYS A 33 -6.834 7.640 11.222 1.00 0.00 C ATOM 545 C LYS A 33 -5.631 8.395 10.705 1.00 0.00 C ATOM 546 O LYS A 33 -4.982 9.069 11.492 1.00 0.00 O ATOM 547 CB LYS A 33 -6.537 6.143 11.423 1.00 0.00 C ATOM 548 CG LYS A 33 -7.319 5.500 12.581 1.00 0.00 C ATOM 549 CD LYS A 33 -8.846 5.481 12.416 1.00 0.00 C ATOM 550 CE LYS A 33 -9.554 5.117 13.721 1.00 0.00 C ATOM 551 NZ LYS A 33 -9.577 6.246 14.675 1.00 0.00 N ATOM 0 H LYS A 33 -8.291 6.973 9.902 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.077 8.048 12.203 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.769 5.610 10.501 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.470 6.016 11.604 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.972 4.474 12.706 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -7.077 6.033 13.500 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -9.187 6.460 12.078 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -9.119 4.764 11.642 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -10.576 4.806 13.504 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -9.052 4.265 14.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -10.153 5.990 15.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -8.607 6.461 14.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -9.988 7.082 14.213 1.00 0.00 H new ATOM 565 N ALA A 34 -5.318 8.310 9.413 1.00 0.00 N ATOM 566 CA ALA A 34 -4.179 9.020 8.860 1.00 0.00 C ATOM 567 C ALA A 34 -4.345 10.522 9.088 1.00 0.00 C ATOM 568 O ALA A 34 -3.454 11.149 9.660 1.00 0.00 O ATOM 569 CB ALA A 34 -4.020 8.705 7.374 1.00 0.00 C ATOM 0 H ALA A 34 -5.840 7.755 8.735 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.273 8.690 9.368 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.161 9.246 6.977 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.866 7.634 7.244 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.920 9.010 6.839 1.00 0.00 H new ATOM 575 N GLU A 35 -5.480 11.087 8.658 1.00 0.00 N ATOM 576 CA GLU A 35 -5.721 12.524 8.790 1.00 0.00 C ATOM 577 C GLU A 35 -5.751 12.969 10.256 1.00 0.00 C ATOM 578 O GLU A 35 -5.202 14.017 10.585 1.00 0.00 O ATOM 579 CB GLU A 35 -6.971 12.915 7.983 1.00 0.00 C ATOM 580 CG GLU A 35 -7.064 14.433 7.733 1.00 0.00 C ATOM 581 CD GLU A 35 -8.018 14.819 6.589 1.00 0.00 C ATOM 582 OE1 GLU A 35 -8.817 13.981 6.112 1.00 0.00 O ATOM 583 OE2 GLU A 35 -7.934 15.983 6.115 1.00 0.00 O ATOM 0 H GLU A 35 -6.242 10.571 8.218 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.883 13.073 8.361 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.959 12.393 7.026 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.862 12.583 8.516 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.394 14.923 8.649 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.069 14.816 7.508 1.00 0.00 H new ATOM 590 N ASP A 36 -6.319 12.162 11.153 1.00 0.00 N ATOM 591 CA ASP A 36 -6.394 12.467 12.580 1.00 0.00 C ATOM 592 C ASP A 36 -4.999 12.391 13.202 1.00 0.00 C ATOM 593 O ASP A 36 -4.623 13.210 14.044 1.00 0.00 O ATOM 594 CB ASP A 36 -7.362 11.500 13.252 1.00 0.00 C ATOM 595 CG ASP A 36 -7.580 11.816 14.723 1.00 0.00 C ATOM 596 OD1 ASP A 36 -7.882 12.987 15.046 1.00 0.00 O ATOM 597 OD2 ASP A 36 -7.569 10.864 15.537 1.00 0.00 O ATOM 0 H ASP A 36 -6.744 11.269 10.905 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.767 13.481 12.727 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.320 11.531 12.732 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.980 10.484 13.156 1.00 0.00 H new ATOM 602 N SER A 37 -4.191 11.427 12.758 1.00 0.00 N ATOM 603 CA SER A 37 -2.822 11.239 13.204 1.00 0.00 C ATOM 604 C SER A 37 -1.952 12.364 12.611 1.00 0.00 C ATOM 605 O SER A 37 -0.789 12.489 12.993 1.00 0.00 O ATOM 606 CB SER A 37 -2.333 9.846 12.776 1.00 0.00 C ATOM 607 OG SER A 37 -1.114 9.476 13.400 1.00 0.00 O ATOM 0 H SER A 37 -4.484 10.742 12.061 1.00 0.00 H new ATOM 0 HA SER A 37 -2.755 11.291 14.291 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.098 9.108 13.017 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.202 9.828 11.694 1.00 0.00 H new ATOM 0 HG SER A 37 -0.542 10.266 13.495 1.00 0.00 H new ATOM 613 N GLY A 38 -2.496 13.187 11.702 1.00 0.00 N ATOM 614 CA GLY A 38 -1.826 14.286 11.036 1.00 0.00 C ATOM 615 C GLY A 38 -0.787 13.826 10.021 1.00 0.00 C ATOM 616 O GLY A 38 -0.058 14.669 9.492 1.00 0.00 O ATOM 0 H GLY A 38 -3.467 13.089 11.404 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.569 14.904 10.532 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -1.342 14.915 11.783 1.00 0.00 H new ATOM 620 N LEU A 39 -0.695 12.521 9.749 1.00 0.00 N ATOM 621 CA LEU A 39 0.230 11.907 8.830 1.00 0.00 C ATOM 622 C LEU A 39 -0.536 11.607 7.561 1.00 0.00 C ATOM 623 O LEU A 39 -1.767 11.583 7.517 1.00 0.00 O ATOM 624 CB LEU A 39 0.794 10.594 9.409 1.00 0.00 C ATOM 625 CG LEU A 39 1.255 10.645 10.876 1.00 0.00 C ATOM 626 CD1 LEU A 39 1.954 9.331 11.249 1.00 0.00 C ATOM 627 CD2 LEU A 39 2.185 11.822 11.162 1.00 0.00 C ATOM 0 H LEU A 39 -1.305 11.837 10.197 1.00 0.00 H new ATOM 0 HA LEU A 39 1.070 12.576 8.643 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.030 9.822 9.316 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.639 10.283 8.794 1.00 0.00 H new ATOM 0 HG LEU A 39 0.363 10.784 11.486 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.278 9.374 12.289 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.260 8.500 11.119 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.821 9.184 10.605 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.478 11.807 12.212 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.074 11.744 10.536 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.668 12.756 10.943 1.00 0.00 H new ATOM 639 N THR A 40 0.172 11.406 6.474 1.00 0.00 N ATOM 640 CA THR A 40 -0.486 11.087 5.223 1.00 0.00 C ATOM 641 C THR A 40 -0.816 9.588 5.240 1.00 0.00 C ATOM 642 O THR A 40 -0.145 8.802 5.906 1.00 0.00 O ATOM 643 CB THR A 40 0.429 11.542 4.082 1.00 0.00 C ATOM 644 OG1 THR A 40 -0.077 11.198 2.804 1.00 0.00 O ATOM 645 CG2 THR A 40 1.865 11.061 4.270 1.00 0.00 C ATOM 0 H THR A 40 1.190 11.456 6.427 1.00 0.00 H new ATOM 0 HA THR A 40 -1.433 11.607 5.076 1.00 0.00 H new ATOM 0 HB THR A 40 0.446 12.631 4.125 1.00 0.00 H new ATOM 0 HG1 THR A 40 0.439 10.450 2.438 1.00 0.00 H new ATOM 0 HG21 THR A 40 2.477 11.407 3.437 1.00 0.00 H new ATOM 0 HG22 THR A 40 2.263 11.460 5.203 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.882 9.972 4.304 1.00 0.00 H new ATOM 653 N VAL A 41 -1.827 9.168 4.478 1.00 0.00 N ATOM 654 CA VAL A 41 -2.258 7.775 4.353 1.00 0.00 C ATOM 655 C VAL A 41 -1.058 6.880 4.011 1.00 0.00 C ATOM 656 O VAL A 41 -0.950 5.770 4.533 1.00 0.00 O ATOM 657 CB VAL A 41 -3.393 7.699 3.306 1.00 0.00 C ATOM 658 CG1 VAL A 41 -3.657 6.286 2.770 1.00 0.00 C ATOM 659 CG2 VAL A 41 -4.697 8.233 3.914 1.00 0.00 C ATOM 0 H VAL A 41 -2.386 9.808 3.913 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.655 7.404 5.298 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.059 8.307 2.465 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.467 6.319 2.041 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.755 5.903 2.293 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.937 5.631 3.595 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.494 8.177 3.172 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.967 7.632 4.782 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.558 9.270 4.220 1.00 0.00 H new ATOM 669 N SER A 42 -0.153 7.344 3.145 1.00 0.00 N ATOM 670 CA SER A 42 1.030 6.590 2.759 1.00 0.00 C ATOM 671 C SER A 42 1.908 6.326 3.989 1.00 0.00 C ATOM 672 O SER A 42 2.273 5.177 4.228 1.00 0.00 O ATOM 673 CB SER A 42 1.766 7.353 1.649 1.00 0.00 C ATOM 674 OG SER A 42 1.924 8.711 2.027 1.00 0.00 O ATOM 0 H SER A 42 -0.226 8.256 2.694 1.00 0.00 H new ATOM 0 HA SER A 42 0.754 5.614 2.361 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.741 6.900 1.468 1.00 0.00 H new ATOM 0 HB3 SER A 42 1.206 7.288 0.716 1.00 0.00 H new ATOM 0 HG SER A 42 2.395 9.195 1.317 1.00 0.00 H new ATOM 680 N ALA A 43 2.215 7.374 4.767 1.00 0.00 N ATOM 681 CA ALA A 43 3.017 7.325 5.987 1.00 0.00 C ATOM 682 C ALA A 43 2.360 6.406 7.003 1.00 0.00 C ATOM 683 O ALA A 43 3.025 5.537 7.555 1.00 0.00 O ATOM 684 CB ALA A 43 3.180 8.710 6.621 1.00 0.00 C ATOM 0 H ALA A 43 1.895 8.318 4.549 1.00 0.00 H new ATOM 0 HA ALA A 43 4.002 6.950 5.708 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.783 8.627 7.525 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.674 9.377 5.915 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.199 9.112 6.874 1.00 0.00 H new ATOM 690 N TYR A 44 1.057 6.593 7.230 1.00 0.00 N ATOM 691 CA TYR A 44 0.260 5.820 8.162 1.00 0.00 C ATOM 692 C TYR A 44 0.456 4.327 7.897 1.00 0.00 C ATOM 693 O TYR A 44 0.768 3.581 8.822 1.00 0.00 O ATOM 694 CB TYR A 44 -1.194 6.280 8.071 1.00 0.00 C ATOM 695 CG TYR A 44 -2.101 5.530 9.010 1.00 0.00 C ATOM 696 CD1 TYR A 44 -2.224 5.929 10.355 1.00 0.00 C ATOM 697 CD2 TYR A 44 -2.779 4.391 8.545 1.00 0.00 C ATOM 698 CE1 TYR A 44 -3.036 5.191 11.234 1.00 0.00 C ATOM 699 CE2 TYR A 44 -3.621 3.677 9.408 1.00 0.00 C ATOM 700 CZ TYR A 44 -3.752 4.072 10.755 1.00 0.00 C ATOM 701 OH TYR A 44 -4.592 3.386 11.565 1.00 0.00 O ATOM 0 H TYR A 44 0.518 7.313 6.749 1.00 0.00 H new ATOM 0 HA TYR A 44 0.581 5.987 9.190 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.248 7.346 8.294 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.549 6.150 7.049 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -1.695 6.801 10.711 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.651 4.066 7.523 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -3.112 5.479 12.272 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -4.170 2.823 9.041 1.00 0.00 H new ATOM 0 HH TYR A 44 -4.850 2.545 11.132 1.00 0.00 H new ATOM 711 N ILE A 45 0.327 3.914 6.633 1.00 0.00 N ATOM 712 CA ILE A 45 0.494 2.531 6.205 1.00 0.00 C ATOM 713 C ILE A 45 1.888 2.012 6.585 1.00 0.00 C ATOM 714 O ILE A 45 2.008 1.084 7.380 1.00 0.00 O ATOM 715 CB ILE A 45 0.225 2.435 4.680 1.00 0.00 C ATOM 716 CG1 ILE A 45 -1.270 2.561 4.325 1.00 0.00 C ATOM 717 CG2 ILE A 45 0.845 1.182 4.042 1.00 0.00 C ATOM 718 CD1 ILE A 45 -2.135 1.363 4.705 1.00 0.00 C ATOM 0 H ILE A 45 0.099 4.548 5.867 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.226 1.893 6.718 1.00 0.00 H new ATOM 0 HB ILE A 45 0.730 3.298 4.246 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.670 3.447 4.818 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.359 2.726 3.251 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.624 1.170 2.975 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.925 1.196 4.188 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.427 0.291 4.510 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.168 1.553 4.413 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -1.770 0.473 4.192 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -2.086 1.206 5.783 1.00 0.00 H new ATOM 730 N ARG A 46 2.951 2.582 6.000 1.00 0.00 N ATOM 731 CA ARG A 46 4.323 2.150 6.257 1.00 0.00 C ATOM 732 C ARG A 46 4.648 2.146 7.744 1.00 0.00 C ATOM 733 O ARG A 46 5.276 1.193 8.191 1.00 0.00 O ATOM 734 CB ARG A 46 5.347 2.935 5.414 1.00 0.00 C ATOM 735 CG ARG A 46 5.293 4.447 5.611 1.00 0.00 C ATOM 736 CD ARG A 46 6.371 5.207 4.849 1.00 0.00 C ATOM 737 NE ARG A 46 6.425 4.949 3.397 1.00 0.00 N ATOM 738 CZ ARG A 46 7.048 5.748 2.516 1.00 0.00 C ATOM 739 NH1 ARG A 46 7.618 6.885 2.907 1.00 0.00 N ATOM 740 NH2 ARG A 46 7.111 5.403 1.234 1.00 0.00 N ATOM 0 H ARG A 46 2.879 3.354 5.337 1.00 0.00 H new ATOM 0 HA ARG A 46 4.402 1.114 5.929 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.349 2.584 5.660 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.181 2.711 4.360 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.315 4.810 5.296 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.388 4.669 6.674 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.217 6.275 5.005 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.340 4.958 5.281 1.00 0.00 H new ATOM 0 HE ARG A 46 5.961 4.113 3.041 1.00 0.00 H new ATOM 0 HH11 ARG A 46 7.586 7.161 3.889 1.00 0.00 H new ATOM 0 HH12 ARG A 46 8.087 7.481 2.225 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.686 4.531 0.919 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.584 6.010 0.565 1.00 0.00 H new ATOM 754 N ASN A 47 4.217 3.158 8.494 1.00 0.00 N ATOM 755 CA ASN A 47 4.454 3.269 9.923 1.00 0.00 C ATOM 756 C ASN A 47 3.804 2.100 10.655 1.00 0.00 C ATOM 757 O ASN A 47 4.496 1.378 11.374 1.00 0.00 O ATOM 758 CB ASN A 47 3.905 4.606 10.448 1.00 0.00 C ATOM 759 CG ASN A 47 4.021 4.660 11.962 1.00 0.00 C ATOM 760 OD1 ASN A 47 5.123 4.685 12.495 1.00 0.00 O ATOM 761 ND2 ASN A 47 2.915 4.687 12.685 1.00 0.00 N ATOM 0 H ASN A 47 3.682 3.938 8.112 1.00 0.00 H new ATOM 0 HA ASN A 47 5.528 3.239 10.107 1.00 0.00 H new ATOM 0 HB2 ASN A 47 4.457 5.434 10.004 1.00 0.00 H new ATOM 0 HB3 ASN A 47 2.863 4.722 10.151 1.00 0.00 H new ATOM 0 HD21 ASN A 47 2.972 4.729 13.703 1.00 0.00 H new ATOM 0 HD22 ASN A 47 2.005 4.666 12.225 1.00 0.00 H new ATOM 768 N ALA A 48 2.493 1.914 10.462 1.00 0.00 N ATOM 769 CA ALA A 48 1.732 0.847 11.111 1.00 0.00 C ATOM 770 C ALA A 48 2.239 -0.544 10.726 1.00 0.00 C ATOM 771 O ALA A 48 2.126 -1.475 11.513 1.00 0.00 O ATOM 772 CB ALA A 48 0.242 0.985 10.765 1.00 0.00 C ATOM 0 H ALA A 48 1.930 2.503 9.848 1.00 0.00 H new ATOM 0 HA ALA A 48 1.870 0.952 12.187 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.320 0.187 11.251 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -0.124 1.951 11.113 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.111 0.915 9.685 1.00 0.00 H new ATOM 778 N ALA A 49 2.792 -0.691 9.522 1.00 0.00 N ATOM 779 CA ALA A 49 3.311 -1.959 9.045 1.00 0.00 C ATOM 780 C ALA A 49 4.678 -2.310 9.636 1.00 0.00 C ATOM 781 O ALA A 49 5.042 -3.482 9.664 1.00 0.00 O ATOM 782 CB ALA A 49 3.409 -1.894 7.524 1.00 0.00 C ATOM 0 H ALA A 49 2.890 0.073 8.853 1.00 0.00 H new ATOM 0 HA ALA A 49 2.626 -2.744 9.367 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.798 -2.839 7.144 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.420 -1.713 7.103 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.079 -1.084 7.237 1.00 0.00 H new ATOM 788 N LEU A 50 5.484 -1.332 10.039 1.00 0.00 N ATOM 789 CA LEU A 50 6.803 -1.618 10.604 1.00 0.00 C ATOM 790 C LEU A 50 6.677 -1.808 12.101 1.00 0.00 C ATOM 791 O LEU A 50 7.325 -2.695 12.646 1.00 0.00 O ATOM 792 CB LEU A 50 7.786 -0.487 10.303 1.00 0.00 C ATOM 793 CG LEU A 50 8.017 -0.310 8.796 1.00 0.00 C ATOM 794 CD1 LEU A 50 8.520 1.112 8.568 1.00 0.00 C ATOM 795 CD2 LEU A 50 8.931 -1.368 8.171 1.00 0.00 C ATOM 0 H LEU A 50 5.251 -0.340 9.986 1.00 0.00 H new ATOM 0 HA LEU A 50 7.188 -2.530 10.147 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.406 0.444 10.723 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.737 -0.694 10.794 1.00 0.00 H new ATOM 0 HG LEU A 50 7.070 -0.464 8.278 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.694 1.270 7.504 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.774 1.823 8.923 1.00 0.00 H new ATOM 0 HD13 LEU A 50 9.452 1.260 9.114 1.00 0.00 H new ATOM 0 HD21 LEU A 50 9.041 -1.170 7.105 1.00 0.00 H new ATOM 0 HD22 LEU A 50 9.909 -1.332 8.650 1.00 0.00 H new ATOM 0 HD23 LEU A 50 8.494 -2.356 8.313 1.00 0.00 H new ATOM 807 N ASN A 51 5.886 -0.944 12.741 1.00 0.00 N ATOM 808 CA ASN A 51 5.639 -0.983 14.176 1.00 0.00 C ATOM 809 C ASN A 51 4.972 -2.299 14.496 1.00 0.00 C ATOM 810 O ASN A 51 5.523 -3.095 15.274 1.00 0.00 O ATOM 811 CB ASN A 51 4.719 0.159 14.634 1.00 0.00 C ATOM 812 CG ASN A 51 5.475 1.454 14.833 1.00 0.00 C ATOM 813 OD1 ASN A 51 5.707 1.879 15.960 1.00 0.00 O ATOM 814 ND2 ASN A 51 5.862 2.119 13.762 1.00 0.00 N ATOM 0 H ASN A 51 5.394 -0.188 12.266 1.00 0.00 H new ATOM 0 HA ASN A 51 6.591 -0.872 14.695 1.00 0.00 H new ATOM 0 HB2 ASN A 51 3.932 0.309 13.894 1.00 0.00 H new ATOM 0 HB3 ASN A 51 4.230 -0.122 15.567 1.00 0.00 H new ATOM 0 HD21 ASN A 51 6.363 3.002 13.863 1.00 0.00 H new ATOM 0 HD22 ASN A 51 5.660 1.751 12.832 1.00 0.00 H new ATOM 1055 N THR B 15 -13.808 0.892 -3.873 1.00 0.00 N ATOM 1056 CA THR B 15 -12.456 0.490 -3.567 1.00 0.00 C ATOM 1057 C THR B 15 -11.494 1.679 -3.673 1.00 0.00 C ATOM 1058 O THR B 15 -11.859 2.785 -4.083 1.00 0.00 O ATOM 1059 CB THR B 15 -12.102 -0.686 -4.496 1.00 0.00 C ATOM 1060 OG1 THR B 15 -11.103 -1.531 -3.953 1.00 0.00 O ATOM 1061 CG2 THR B 15 -11.680 -0.234 -5.902 1.00 0.00 C ATOM 0 HA THR B 15 -12.363 0.151 -2.535 1.00 0.00 H new ATOM 0 HB THR B 15 -13.027 -1.255 -4.584 1.00 0.00 H new ATOM 0 HG1 THR B 15 -10.943 -1.289 -3.017 1.00 0.00 H new ATOM 0 HG21 THR B 15 -11.443 -1.108 -6.509 1.00 0.00 H new ATOM 0 HG22 THR B 15 -12.496 0.320 -6.366 1.00 0.00 H new ATOM 0 HG23 THR B 15 -10.801 0.407 -5.830 1.00 0.00 H new ATOM 1069 N VAL B 16 -10.240 1.420 -3.329 1.00 0.00 N ATOM 1070 CA VAL B 16 -9.122 2.347 -3.352 1.00 0.00 C ATOM 1071 C VAL B 16 -8.124 1.773 -4.351 1.00 0.00 C ATOM 1072 O VAL B 16 -8.016 0.555 -4.456 1.00 0.00 O ATOM 1073 CB VAL B 16 -8.499 2.424 -1.944 1.00 0.00 C ATOM 1074 CG1 VAL B 16 -7.375 3.459 -1.813 1.00 0.00 C ATOM 1075 CG2 VAL B 16 -9.555 2.784 -0.901 1.00 0.00 C ATOM 0 H VAL B 16 -9.960 0.494 -3.005 1.00 0.00 H new ATOM 0 HA VAL B 16 -9.424 3.355 -3.638 1.00 0.00 H new ATOM 0 HB VAL B 16 -8.081 1.431 -1.777 1.00 0.00 H new ATOM 0 HG11 VAL B 16 -6.990 3.451 -0.793 1.00 0.00 H new ATOM 0 HG12 VAL B 16 -6.571 3.213 -2.506 1.00 0.00 H new ATOM 0 HG13 VAL B 16 -7.764 4.450 -2.046 1.00 0.00 H new ATOM 0 HG21 VAL B 16 -9.092 2.832 0.084 1.00 0.00 H new ATOM 0 HG22 VAL B 16 -9.992 3.753 -1.145 1.00 0.00 H new ATOM 0 HG23 VAL B 16 -10.337 2.024 -0.897 1.00 0.00 H new ATOM 1085 N VAL B 17 -7.393 2.613 -5.073 1.00 0.00 N ATOM 1086 CA VAL B 17 -6.388 2.186 -6.028 1.00 0.00 C ATOM 1087 C VAL B 17 -5.297 3.245 -5.965 1.00 0.00 C ATOM 1088 O VAL B 17 -5.510 4.397 -6.353 1.00 0.00 O ATOM 1089 CB VAL B 17 -7.007 1.930 -7.414 1.00 0.00 C ATOM 1090 CG1 VAL B 17 -7.487 3.181 -8.154 1.00 0.00 C ATOM 1091 CG2 VAL B 17 -6.014 1.173 -8.301 1.00 0.00 C ATOM 0 H VAL B 17 -7.486 3.627 -5.007 1.00 0.00 H new ATOM 0 HA VAL B 17 -5.944 1.219 -5.792 1.00 0.00 H new ATOM 0 HB VAL B 17 -7.900 1.337 -7.217 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -7.906 2.895 -9.119 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -8.251 3.684 -7.561 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -6.646 3.857 -8.310 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -6.461 0.997 -9.279 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -5.106 1.765 -8.418 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -5.767 0.218 -7.838 1.00 0.00 H new ATOM 1101 N ARG B 18 -4.156 2.895 -5.379 1.00 0.00 N ATOM 1102 CA ARG B 18 -3.045 3.835 -5.259 1.00 0.00 C ATOM 1103 C ARG B 18 -1.734 3.089 -5.281 1.00 0.00 C ATOM 1104 O ARG B 18 -1.716 1.870 -5.092 1.00 0.00 O ATOM 1105 CB ARG B 18 -3.188 4.651 -3.961 1.00 0.00 C ATOM 1106 CG ARG B 18 -2.950 6.144 -4.203 1.00 0.00 C ATOM 1107 CD ARG B 18 -3.275 6.897 -2.920 1.00 0.00 C ATOM 1108 NE ARG B 18 -3.154 8.355 -3.062 1.00 0.00 N ATOM 1109 CZ ARG B 18 -3.467 9.253 -2.115 1.00 0.00 C ATOM 1110 NH1 ARG B 18 -4.036 8.879 -0.965 1.00 0.00 N ATOM 1111 NH2 ARG B 18 -3.194 10.533 -2.329 1.00 0.00 N ATOM 0 H ARG B 18 -3.976 1.973 -4.982 1.00 0.00 H new ATOM 0 HA ARG B 18 -3.062 4.524 -6.104 1.00 0.00 H new ATOM 0 HB2 ARG B 18 -4.185 4.504 -3.546 1.00 0.00 H new ATOM 0 HB3 ARG B 18 -2.477 4.284 -3.220 1.00 0.00 H new ATOM 0 HG2 ARG B 18 -1.915 6.321 -4.494 1.00 0.00 H new ATOM 0 HG3 ARG B 18 -3.576 6.500 -5.021 1.00 0.00 H new ATOM 0 HD2 ARG B 18 -4.290 6.651 -2.608 1.00 0.00 H new ATOM 0 HD3 ARG B 18 -2.608 6.558 -2.128 1.00 0.00 H new ATOM 0 HE ARG B 18 -2.804 8.713 -3.951 1.00 0.00 H new ATOM 0 HH11 ARG B 18 -4.241 7.895 -0.794 1.00 0.00 H new ATOM 0 HH12 ARG B 18 -4.266 9.578 -0.259 1.00 0.00 H new ATOM 0 HH21 ARG B 18 -2.753 10.821 -3.202 1.00 0.00 H new ATOM 0 HH22 ARG B 18 -3.425 11.229 -1.620 1.00 0.00 H new ATOM 1125 N THR B 19 -0.645 3.822 -5.460 1.00 0.00 N ATOM 1126 CA THR B 19 0.692 3.255 -5.499 1.00 0.00 C ATOM 1127 C THR B 19 1.390 3.590 -4.192 1.00 0.00 C ATOM 1128 O THR B 19 1.180 4.663 -3.614 1.00 0.00 O ATOM 1129 CB THR B 19 1.495 3.859 -6.668 1.00 0.00 C ATOM 1130 OG1 THR B 19 0.746 3.804 -7.859 1.00 0.00 O ATOM 1131 CG2 THR B 19 2.814 3.120 -6.927 1.00 0.00 C ATOM 0 H THR B 19 -0.666 4.834 -5.583 1.00 0.00 H new ATOM 0 HA THR B 19 0.627 2.176 -5.638 1.00 0.00 H new ATOM 0 HB THR B 19 1.712 4.887 -6.379 1.00 0.00 H new ATOM 0 HG1 THR B 19 1.268 4.193 -8.592 1.00 0.00 H new ATOM 0 HG21 THR B 19 3.336 3.589 -7.761 1.00 0.00 H new ATOM 0 HG22 THR B 19 3.439 3.167 -6.035 1.00 0.00 H new ATOM 0 HG23 THR B 19 2.606 2.078 -7.170 1.00 0.00 H new ATOM 1139 N LEU B 20 2.229 2.671 -3.730 1.00 0.00 N ATOM 1140 CA LEU B 20 3.023 2.830 -2.536 1.00 0.00 C ATOM 1141 C LEU B 20 4.416 2.342 -2.878 1.00 0.00 C ATOM 1142 O LEU B 20 4.600 1.426 -3.686 1.00 0.00 O ATOM 1143 CB LEU B 20 2.438 2.090 -1.322 1.00 0.00 C ATOM 1144 CG LEU B 20 1.301 2.864 -0.638 1.00 0.00 C ATOM 1145 CD1 LEU B 20 0.673 2.027 0.475 1.00 0.00 C ATOM 1146 CD2 LEU B 20 1.789 4.175 -0.007 1.00 0.00 C ATOM 0 H LEU B 20 2.374 1.774 -4.194 1.00 0.00 H new ATOM 0 HA LEU B 20 3.036 3.877 -2.234 1.00 0.00 H new ATOM 0 HB2 LEU B 20 2.066 1.116 -1.641 1.00 0.00 H new ATOM 0 HB3 LEU B 20 3.232 1.906 -0.598 1.00 0.00 H new ATOM 0 HG LEU B 20 0.574 3.086 -1.419 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -0.130 2.593 0.947 1.00 0.00 H new ATOM 0 HD12 LEU B 20 0.269 1.106 0.054 1.00 0.00 H new ATOM 0 HD13 LEU B 20 1.431 1.784 1.219 1.00 0.00 H new ATOM 0 HD21 LEU B 20 0.950 4.687 0.464 1.00 0.00 H new ATOM 0 HD22 LEU B 20 2.549 3.957 0.744 1.00 0.00 H new ATOM 0 HD23 LEU B 20 2.216 4.814 -0.780 1.00 0.00 H new ATOM 1158 N ARG B 21 5.388 3.040 -2.302 1.00 0.00 N ATOM 1159 CA ARG B 21 6.808 2.786 -2.433 1.00 0.00 C ATOM 1160 C ARG B 21 7.276 2.389 -1.048 1.00 0.00 C ATOM 1161 O ARG B 21 6.775 2.938 -0.057 1.00 0.00 O ATOM 1162 CB ARG B 21 7.560 4.038 -2.915 1.00 0.00 C ATOM 1163 CG ARG B 21 7.448 4.309 -4.421 1.00 0.00 C ATOM 1164 CD ARG B 21 8.267 3.325 -5.269 1.00 0.00 C ATOM 1165 NE ARG B 21 9.032 4.018 -6.321 1.00 0.00 N ATOM 1166 CZ ARG B 21 10.175 4.691 -6.131 1.00 0.00 C ATOM 1167 NH1 ARG B 21 10.799 4.675 -4.958 1.00 0.00 N ATOM 1168 NH2 ARG B 21 10.710 5.367 -7.137 1.00 0.00 N ATOM 0 H ARG B 21 5.190 3.840 -1.700 1.00 0.00 H new ATOM 0 HA ARG B 21 7.003 2.009 -3.172 1.00 0.00 H new ATOM 0 HB2 ARG B 21 7.181 4.905 -2.374 1.00 0.00 H new ATOM 0 HB3 ARG B 21 8.614 3.936 -2.655 1.00 0.00 H new ATOM 0 HG2 ARG B 21 6.401 4.252 -4.718 1.00 0.00 H new ATOM 0 HG3 ARG B 21 7.783 5.325 -4.628 1.00 0.00 H new ATOM 0 HD2 ARG B 21 8.951 2.772 -4.626 1.00 0.00 H new ATOM 0 HD3 ARG B 21 7.599 2.595 -5.726 1.00 0.00 H new ATOM 0 HE ARG B 21 8.661 3.982 -7.271 1.00 0.00 H new ATOM 0 HH11 ARG B 21 10.409 4.143 -4.180 1.00 0.00 H new ATOM 0 HH12 ARG B 21 11.668 5.195 -4.836 1.00 0.00 H new ATOM 0 HH21 ARG B 21 10.252 5.373 -8.048 1.00 0.00 H new ATOM 0 HH22 ARG B 21 11.580 5.882 -7.000 1.00 0.00 H new ATOM 1182 N PHE B 22 8.208 1.449 -0.979 1.00 0.00 N ATOM 1183 CA PHE B 22 8.762 0.969 0.279 1.00 0.00 C ATOM 1184 C PHE B 22 10.263 0.867 0.068 1.00 0.00 C ATOM 1185 O PHE B 22 10.694 0.539 -1.038 1.00 0.00 O ATOM 1186 CB PHE B 22 8.131 -0.367 0.701 1.00 0.00 C ATOM 1187 CG PHE B 22 6.657 -0.274 1.072 1.00 0.00 C ATOM 1188 CD1 PHE B 22 5.661 -0.435 0.089 1.00 0.00 C ATOM 1189 CD2 PHE B 22 6.271 -0.009 2.401 1.00 0.00 C ATOM 1190 CE1 PHE B 22 4.300 -0.338 0.429 1.00 0.00 C ATOM 1191 CE2 PHE B 22 4.914 0.046 2.749 1.00 0.00 C ATOM 1192 CZ PHE B 22 3.925 -0.114 1.766 1.00 0.00 C ATOM 0 H PHE B 22 8.604 0.994 -1.802 1.00 0.00 H new ATOM 0 HA PHE B 22 8.540 1.652 1.099 1.00 0.00 H new ATOM 0 HB2 PHE B 22 8.244 -1.082 -0.114 1.00 0.00 H new ATOM 0 HB3 PHE B 22 8.684 -0.764 1.553 1.00 0.00 H new ATOM 0 HD1 PHE B 22 5.945 -0.634 -0.934 1.00 0.00 H new ATOM 0 HD2 PHE B 22 7.026 0.153 3.157 1.00 0.00 H new ATOM 0 HE1 PHE B 22 3.543 -0.435 -0.336 1.00 0.00 H new ATOM 0 HE2 PHE B 22 4.629 0.212 3.777 1.00 0.00 H new ATOM 0 HZ PHE B 22 2.880 -0.065 2.035 1.00 0.00 H new ATOM 1202 N SER B 23 11.043 1.232 1.081 1.00 0.00 N ATOM 1203 CA SER B 23 12.501 1.185 1.028 1.00 0.00 C ATOM 1204 C SER B 23 12.968 -0.281 1.147 1.00 0.00 C ATOM 1205 O SER B 23 12.159 -1.150 1.477 1.00 0.00 O ATOM 1206 CB SER B 23 12.991 2.119 2.148 1.00 0.00 C ATOM 1207 OG SER B 23 12.974 3.482 1.757 1.00 0.00 O ATOM 0 H SER B 23 10.677 1.572 1.970 1.00 0.00 H new ATOM 0 HA SER B 23 12.924 1.533 0.086 1.00 0.00 H new ATOM 0 HB2 SER B 23 12.362 1.988 3.029 1.00 0.00 H new ATOM 0 HB3 SER B 23 14.004 1.838 2.435 1.00 0.00 H new ATOM 0 HG SER B 23 13.291 4.039 2.498 1.00 0.00 H new ATOM 1213 N PRO B 24 14.257 -0.590 0.902 1.00 0.00 N ATOM 1214 CA PRO B 24 14.750 -1.966 0.963 1.00 0.00 C ATOM 1215 C PRO B 24 14.730 -2.559 2.367 1.00 0.00 C ATOM 1216 O PRO B 24 14.659 -3.779 2.510 1.00 0.00 O ATOM 1217 CB PRO B 24 16.185 -1.919 0.423 1.00 0.00 C ATOM 1218 CG PRO B 24 16.612 -0.487 0.731 1.00 0.00 C ATOM 1219 CD PRO B 24 15.330 0.314 0.522 1.00 0.00 C ATOM 0 HA PRO B 24 14.099 -2.614 0.376 1.00 0.00 H new ATOM 0 HB2 PRO B 24 16.828 -2.648 0.916 1.00 0.00 H new ATOM 0 HB3 PRO B 24 16.223 -2.132 -0.645 1.00 0.00 H new ATOM 0 HG2 PRO B 24 16.986 -0.389 1.750 1.00 0.00 H new ATOM 0 HG3 PRO B 24 17.408 -0.153 0.066 1.00 0.00 H new ATOM 0 HD2 PRO B 24 15.323 1.215 1.135 1.00 0.00 H new ATOM 0 HD3 PRO B 24 15.229 0.633 -0.515 1.00 0.00 H new ATOM 1227 N VAL B 25 14.865 -1.725 3.391 1.00 0.00 N ATOM 1228 CA VAL B 25 14.873 -2.137 4.783 1.00 0.00 C ATOM 1229 C VAL B 25 13.434 -2.479 5.166 1.00 0.00 C ATOM 1230 O VAL B 25 13.163 -3.562 5.683 1.00 0.00 O ATOM 1231 CB VAL B 25 15.508 -1.003 5.608 1.00 0.00 C ATOM 1232 CG1 VAL B 25 15.636 -1.376 7.085 1.00 0.00 C ATOM 1233 CG2 VAL B 25 16.903 -0.655 5.065 1.00 0.00 C ATOM 0 H VAL B 25 14.975 -0.718 3.269 1.00 0.00 H new ATOM 0 HA VAL B 25 15.471 -3.028 4.976 1.00 0.00 H new ATOM 0 HB VAL B 25 14.846 -0.141 5.520 1.00 0.00 H new ATOM 0 HG11 VAL B 25 16.089 -0.549 7.631 1.00 0.00 H new ATOM 0 HG12 VAL B 25 14.648 -1.584 7.495 1.00 0.00 H new ATOM 0 HG13 VAL B 25 16.263 -2.262 7.183 1.00 0.00 H new ATOM 0 HG21 VAL B 25 17.335 0.149 5.661 1.00 0.00 H new ATOM 0 HG22 VAL B 25 17.545 -1.534 5.121 1.00 0.00 H new ATOM 0 HG23 VAL B 25 16.819 -0.332 4.027 1.00 0.00 H new ATOM 1243 N GLU B 26 12.500 -1.590 4.833 1.00 0.00 N ATOM 1244 CA GLU B 26 11.083 -1.736 5.091 1.00 0.00 C ATOM 1245 C GLU B 26 10.573 -2.997 4.396 1.00 0.00 C ATOM 1246 O GLU B 26 9.831 -3.767 4.997 1.00 0.00 O ATOM 1247 CB GLU B 26 10.344 -0.479 4.603 1.00 0.00 C ATOM 1248 CG GLU B 26 10.474 0.714 5.566 1.00 0.00 C ATOM 1249 CD GLU B 26 11.748 1.559 5.500 1.00 0.00 C ATOM 1250 OE1 GLU B 26 12.788 1.119 4.971 1.00 0.00 O ATOM 1251 OE2 GLU B 26 11.675 2.725 5.958 1.00 0.00 O ATOM 0 H GLU B 26 12.727 -0.716 4.358 1.00 0.00 H new ATOM 0 HA GLU B 26 10.898 -1.840 6.160 1.00 0.00 H new ATOM 0 HB2 GLU B 26 10.734 -0.193 3.626 1.00 0.00 H new ATOM 0 HB3 GLU B 26 9.288 -0.715 4.468 1.00 0.00 H new ATOM 0 HG2 GLU B 26 9.626 1.376 5.393 1.00 0.00 H new ATOM 0 HG3 GLU B 26 10.379 0.333 6.583 1.00 0.00 H new ATOM 1258 N ASP B 27 10.991 -3.232 3.152 1.00 0.00 N ATOM 1259 CA ASP B 27 10.609 -4.399 2.364 1.00 0.00 C ATOM 1260 C ASP B 27 11.129 -5.662 3.028 1.00 0.00 C ATOM 1261 O ASP B 27 10.349 -6.577 3.259 1.00 0.00 O ATOM 1262 CB ASP B 27 11.206 -4.283 0.960 1.00 0.00 C ATOM 1263 CG ASP B 27 11.021 -5.554 0.122 1.00 0.00 C ATOM 1264 OD1 ASP B 27 9.866 -5.940 -0.176 1.00 0.00 O ATOM 1265 OD2 ASP B 27 12.036 -6.146 -0.303 1.00 0.00 O ATOM 0 H ASP B 27 11.619 -2.600 2.655 1.00 0.00 H new ATOM 0 HA ASP B 27 9.522 -4.447 2.299 1.00 0.00 H new ATOM 0 HB2 ASP B 27 10.743 -3.443 0.443 1.00 0.00 H new ATOM 0 HB3 ASP B 27 12.270 -4.060 1.041 1.00 0.00 H new ATOM 1270 N GLU B 28 12.418 -5.693 3.377 1.00 0.00 N ATOM 1271 CA GLU B 28 13.084 -6.814 4.037 1.00 0.00 C ATOM 1272 C GLU B 28 12.441 -7.107 5.406 1.00 0.00 C ATOM 1273 O GLU B 28 12.627 -8.185 5.972 1.00 0.00 O ATOM 1274 CB GLU B 28 14.590 -6.493 4.109 1.00 0.00 C ATOM 1275 CG GLU B 28 15.447 -7.597 4.738 1.00 0.00 C ATOM 1276 CD GLU B 28 16.959 -7.411 4.546 1.00 0.00 C ATOM 1277 OE1 GLU B 28 17.432 -6.696 3.628 1.00 0.00 O ATOM 1278 OE2 GLU B 28 17.730 -7.999 5.336 1.00 0.00 O ATOM 0 H GLU B 28 13.047 -4.909 3.201 1.00 0.00 H new ATOM 0 HA GLU B 28 12.962 -7.736 3.469 1.00 0.00 H new ATOM 0 HB2 GLU B 28 14.955 -6.297 3.101 1.00 0.00 H new ATOM 0 HB3 GLU B 28 14.726 -5.575 4.681 1.00 0.00 H new ATOM 0 HG2 GLU B 28 15.231 -7.644 5.805 1.00 0.00 H new ATOM 0 HG3 GLU B 28 15.154 -8.556 4.311 1.00 0.00 H new ATOM 1285 N THR B 29 11.673 -6.168 5.958 1.00 0.00 N ATOM 1286 CA THR B 29 10.987 -6.339 7.227 1.00 0.00 C ATOM 1287 C THR B 29 9.592 -6.885 6.930 1.00 0.00 C ATOM 1288 O THR B 29 9.272 -8.007 7.319 1.00 0.00 O ATOM 1289 CB THR B 29 10.918 -4.989 7.971 1.00 0.00 C ATOM 1290 OG1 THR B 29 12.204 -4.403 8.058 1.00 0.00 O ATOM 1291 CG2 THR B 29 10.316 -5.110 9.375 1.00 0.00 C ATOM 0 H THR B 29 11.511 -5.258 5.527 1.00 0.00 H new ATOM 0 HA THR B 29 11.521 -7.037 7.871 1.00 0.00 H new ATOM 0 HB THR B 29 10.256 -4.351 7.386 1.00 0.00 H new ATOM 0 HG1 THR B 29 12.482 -4.092 7.171 1.00 0.00 H new ATOM 0 HG21 THR B 29 10.294 -4.128 9.847 1.00 0.00 H new ATOM 0 HG22 THR B 29 9.301 -5.501 9.303 1.00 0.00 H new ATOM 0 HG23 THR B 29 10.924 -5.788 9.974 1.00 0.00 H new ATOM 1299 N ILE B 30 8.786 -6.121 6.188 1.00 0.00 N ATOM 1300 CA ILE B 30 7.420 -6.474 5.842 1.00 0.00 C ATOM 1301 C ILE B 30 7.332 -7.810 5.086 1.00 0.00 C ATOM 1302 O ILE B 30 6.334 -8.525 5.177 1.00 0.00 O ATOM 1303 CB ILE B 30 6.717 -5.290 5.142 1.00 0.00 C ATOM 1304 CG1 ILE B 30 6.625 -4.090 6.104 1.00 0.00 C ATOM 1305 CG2 ILE B 30 5.281 -5.674 4.732 1.00 0.00 C ATOM 1306 CD1 ILE B 30 6.090 -2.824 5.434 1.00 0.00 C ATOM 0 H ILE B 30 9.078 -5.221 5.806 1.00 0.00 H new ATOM 0 HA ILE B 30 6.863 -6.657 6.761 1.00 0.00 H new ATOM 0 HB ILE B 30 7.301 -5.032 4.258 1.00 0.00 H new ATOM 0 HG12 ILE B 30 5.978 -4.352 6.941 1.00 0.00 H new ATOM 0 HG13 ILE B 30 7.613 -3.886 6.516 1.00 0.00 H new ATOM 0 HG21 ILE B 30 4.804 -4.826 4.241 1.00 0.00 H new ATOM 0 HG22 ILE B 30 5.313 -6.520 4.046 1.00 0.00 H new ATOM 0 HG23 ILE B 30 4.710 -5.948 5.619 1.00 0.00 H new ATOM 0 HD11 ILE B 30 6.049 -2.016 6.164 1.00 0.00 H new ATOM 0 HD12 ILE B 30 6.750 -2.540 4.614 1.00 0.00 H new ATOM 0 HD13 ILE B 30 5.089 -3.013 5.046 1.00 0.00 H new ATOM 1318 N ARG B 31 8.359 -8.184 4.332 1.00 0.00 N ATOM 1319 CA ARG B 31 8.337 -9.438 3.590 1.00 0.00 C ATOM 1320 C ARG B 31 8.514 -10.617 4.543 1.00 0.00 C ATOM 1321 O ARG B 31 7.976 -11.686 4.280 1.00 0.00 O ATOM 1322 CB ARG B 31 9.393 -9.391 2.479 1.00 0.00 C ATOM 1323 CG ARG B 31 9.313 -10.592 1.538 1.00 0.00 C ATOM 1324 CD ARG B 31 10.174 -10.329 0.302 1.00 0.00 C ATOM 1325 NE ARG B 31 10.158 -11.498 -0.591 1.00 0.00 N ATOM 1326 CZ ARG B 31 10.508 -11.508 -1.882 1.00 0.00 C ATOM 1327 NH1 ARG B 31 11.034 -10.434 -2.462 1.00 0.00 N ATOM 1328 NH2 ARG B 31 10.358 -12.606 -2.605 1.00 0.00 N ATOM 0 H ARG B 31 9.214 -7.639 4.219 1.00 0.00 H new ATOM 0 HA ARG B 31 7.370 -9.578 3.107 1.00 0.00 H new ATOM 0 HB2 ARG B 31 9.268 -8.474 1.903 1.00 0.00 H new ATOM 0 HB3 ARG B 31 10.385 -9.352 2.928 1.00 0.00 H new ATOM 0 HG2 ARG B 31 9.656 -11.491 2.049 1.00 0.00 H new ATOM 0 HG3 ARG B 31 8.279 -10.768 1.243 1.00 0.00 H new ATOM 0 HD2 ARG B 31 9.802 -9.453 -0.229 1.00 0.00 H new ATOM 0 HD3 ARG B 31 11.198 -10.108 0.604 1.00 0.00 H new ATOM 0 HE ARG B 31 9.851 -12.383 -0.188 1.00 0.00 H new ATOM 0 HH11 ARG B 31 11.178 -9.581 -1.921 1.00 0.00 H new ATOM 0 HH12 ARG B 31 11.294 -10.463 -3.448 1.00 0.00 H new ATOM 0 HH21 ARG B 31 9.974 -13.449 -2.178 1.00 0.00 H new ATOM 0 HH22 ARG B 31 10.626 -12.609 -3.589 1.00 0.00 H new ATOM 1342 N LYS B 32 9.268 -10.438 5.631 1.00 0.00 N ATOM 1343 CA LYS B 32 9.526 -11.482 6.613 1.00 0.00 C ATOM 1344 C LYS B 32 8.378 -11.641 7.602 1.00 0.00 C ATOM 1345 O LYS B 32 7.922 -12.762 7.809 1.00 0.00 O ATOM 1346 CB LYS B 32 10.847 -11.201 7.369 1.00 0.00 C ATOM 1347 CG LYS B 32 12.023 -11.987 6.770 1.00 0.00 C ATOM 1348 CD LYS B 32 12.567 -11.412 5.459 1.00 0.00 C ATOM 1349 CE LYS B 32 13.500 -12.384 4.717 1.00 0.00 C ATOM 1350 NZ LYS B 32 12.853 -13.633 4.246 1.00 0.00 N ATOM 0 H LYS B 32 9.720 -9.551 5.853 1.00 0.00 H new ATOM 0 HA LYS B 32 9.617 -12.420 6.066 1.00 0.00 H new ATOM 0 HB2 LYS B 32 11.067 -10.134 7.333 1.00 0.00 H new ATOM 0 HB3 LYS B 32 10.729 -11.467 8.419 1.00 0.00 H new ATOM 0 HG2 LYS B 32 12.831 -12.021 7.501 1.00 0.00 H new ATOM 0 HG3 LYS B 32 11.706 -13.016 6.597 1.00 0.00 H new ATOM 0 HD2 LYS B 32 11.732 -11.151 4.809 1.00 0.00 H new ATOM 0 HD3 LYS B 32 13.107 -10.489 5.670 1.00 0.00 H new ATOM 0 HE2 LYS B 32 13.930 -11.868 3.858 1.00 0.00 H new ATOM 0 HE3 LYS B 32 14.327 -12.647 5.377 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 13.497 -14.137 3.604 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 12.634 -14.239 5.062 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 11.974 -13.400 3.742 1.00 0.00 H new ATOM 1364 N LYS B 33 7.912 -10.548 8.217 1.00 0.00 N ATOM 1365 CA LYS B 33 6.844 -10.608 9.216 1.00 0.00 C ATOM 1366 C LYS B 33 5.565 -11.168 8.607 1.00 0.00 C ATOM 1367 O LYS B 33 4.932 -12.023 9.230 1.00 0.00 O ATOM 1368 CB LYS B 33 6.631 -9.235 9.882 1.00 0.00 C ATOM 1369 CG LYS B 33 7.546 -8.939 11.079 1.00 0.00 C ATOM 1370 CD LYS B 33 9.032 -8.788 10.715 1.00 0.00 C ATOM 1371 CE LYS B 33 9.844 -8.078 11.806 1.00 0.00 C ATOM 1372 NZ LYS B 33 9.737 -8.725 13.126 1.00 0.00 N ATOM 0 H LYS B 33 8.262 -9.607 8.037 1.00 0.00 H new ATOM 0 HA LYS B 33 7.146 -11.295 10.007 1.00 0.00 H new ATOM 0 HB2 LYS B 33 6.779 -8.458 9.132 1.00 0.00 H new ATOM 0 HB3 LYS B 33 5.594 -9.166 10.212 1.00 0.00 H new ATOM 0 HG2 LYS B 33 7.207 -8.023 11.563 1.00 0.00 H new ATOM 0 HG3 LYS B 33 7.442 -9.742 11.809 1.00 0.00 H new ATOM 0 HD2 LYS B 33 9.459 -9.775 10.535 1.00 0.00 H new ATOM 0 HD3 LYS B 33 9.118 -8.229 9.783 1.00 0.00 H new ATOM 0 HE2 LYS B 33 10.892 -8.048 11.508 1.00 0.00 H new ATOM 0 HE3 LYS B 33 9.506 -7.045 11.887 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 10.373 -8.250 13.798 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 8.757 -8.656 13.468 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 10.006 -9.726 13.045 1.00 0.00 H new ATOM 1386 N ALA B 34 5.225 -10.746 7.387 1.00 0.00 N ATOM 1387 CA ALA B 34 4.041 -11.192 6.669 1.00 0.00 C ATOM 1388 C ALA B 34 4.125 -12.702 6.473 1.00 0.00 C ATOM 1389 O ALA B 34 3.214 -13.436 6.861 1.00 0.00 O ATOM 1390 CB ALA B 34 3.913 -10.440 5.340 1.00 0.00 C ATOM 0 H ALA B 34 5.781 -10.070 6.864 1.00 0.00 H new ATOM 0 HA ALA B 34 3.142 -10.971 7.244 1.00 0.00 H new ATOM 0 HB1 ALA B 34 3.023 -10.783 4.812 1.00 0.00 H new ATOM 0 HB2 ALA B 34 3.831 -9.370 5.534 1.00 0.00 H new ATOM 0 HB3 ALA B 34 4.794 -10.631 4.728 1.00 0.00 H new ATOM 1396 N GLU B 35 5.227 -13.167 5.882 1.00 0.00 N ATOM 1397 CA GLU B 35 5.411 -14.588 5.610 1.00 0.00 C ATOM 1398 C GLU B 35 5.409 -15.433 6.888 1.00 0.00 C ATOM 1399 O GLU B 35 4.850 -16.531 6.896 1.00 0.00 O ATOM 1400 CB GLU B 35 6.647 -14.799 4.729 1.00 0.00 C ATOM 1401 CG GLU B 35 6.485 -16.076 3.900 1.00 0.00 C ATOM 1402 CD GLU B 35 7.633 -16.271 2.923 1.00 0.00 C ATOM 1403 OE1 GLU B 35 8.691 -16.822 3.326 1.00 0.00 O ATOM 1404 OE2 GLU B 35 7.507 -15.846 1.757 1.00 0.00 O ATOM 0 H GLU B 35 6.004 -12.578 5.584 1.00 0.00 H new ATOM 0 HA GLU B 35 4.551 -14.949 5.046 1.00 0.00 H new ATOM 0 HB2 GLU B 35 6.785 -13.942 4.070 1.00 0.00 H new ATOM 0 HB3 GLU B 35 7.540 -14.870 5.351 1.00 0.00 H new ATOM 0 HG2 GLU B 35 6.427 -16.936 4.567 1.00 0.00 H new ATOM 0 HG3 GLU B 35 5.545 -16.034 3.351 1.00 0.00 H new ATOM 1411 N ASP B 36 5.970 -14.915 7.980 1.00 0.00 N ATOM 1412 CA ASP B 36 6.022 -15.591 9.272 1.00 0.00 C ATOM 1413 C ASP B 36 4.623 -15.643 9.902 1.00 0.00 C ATOM 1414 O ASP B 36 4.265 -16.618 10.567 1.00 0.00 O ATOM 1415 CB ASP B 36 6.996 -14.838 10.181 1.00 0.00 C ATOM 1416 CG ASP B 36 6.901 -15.303 11.629 1.00 0.00 C ATOM 1417 OD1 ASP B 36 7.621 -16.254 12.007 1.00 0.00 O ATOM 1418 OD2 ASP B 36 6.151 -14.674 12.412 1.00 0.00 O ATOM 0 H ASP B 36 6.410 -13.995 7.989 1.00 0.00 H new ATOM 0 HA ASP B 36 6.367 -16.616 9.140 1.00 0.00 H new ATOM 0 HB2 ASP B 36 8.014 -14.982 9.820 1.00 0.00 H new ATOM 0 HB3 ASP B 36 6.788 -13.769 10.129 1.00 0.00 H new ATOM 1423 N SER B 37 3.809 -14.608 9.677 1.00 0.00 N ATOM 1424 CA SER B 37 2.453 -14.509 10.189 1.00 0.00 C ATOM 1425 C SER B 37 1.465 -15.325 9.351 1.00 0.00 C ATOM 1426 O SER B 37 0.290 -15.394 9.722 1.00 0.00 O ATOM 1427 CB SER B 37 1.997 -13.042 10.181 1.00 0.00 C ATOM 1428 OG SER B 37 0.808 -12.901 10.935 1.00 0.00 O ATOM 0 H SER B 37 4.088 -13.800 9.120 1.00 0.00 H new ATOM 0 HA SER B 37 2.463 -14.906 11.204 1.00 0.00 H new ATOM 0 HB2 SER B 37 2.779 -12.407 10.598 1.00 0.00 H new ATOM 0 HB3 SER B 37 1.829 -12.710 9.156 1.00 0.00 H new ATOM 0 HG SER B 37 0.239 -13.688 10.799 1.00 0.00 H new ATOM 1434 N GLY B 38 1.904 -15.904 8.229 1.00 0.00 N ATOM 1435 CA GLY B 38 1.023 -16.662 7.363 1.00 0.00 C ATOM 1436 C GLY B 38 0.001 -15.738 6.689 1.00 0.00 C ATOM 1437 O GLY B 38 -1.059 -16.195 6.263 1.00 0.00 O ATOM 0 H GLY B 38 2.870 -15.856 7.906 1.00 0.00 H new ATOM 0 HA2 GLY B 38 1.609 -17.180 6.604 1.00 0.00 H new ATOM 0 HA3 GLY B 38 0.504 -17.426 7.942 1.00 0.00 H new ATOM 1441 N LEU B 39 0.269 -14.430 6.611 1.00 0.00 N ATOM 1442 CA LEU B 39 -0.577 -13.411 6.010 1.00 0.00 C ATOM 1443 C LEU B 39 0.218 -12.886 4.833 1.00 0.00 C ATOM 1444 O LEU B 39 1.402 -12.582 4.974 1.00 0.00 O ATOM 1445 CB LEU B 39 -0.855 -12.243 6.979 1.00 0.00 C ATOM 1446 CG LEU B 39 -1.685 -12.550 8.236 1.00 0.00 C ATOM 1447 CD1 LEU B 39 -1.945 -11.238 8.984 1.00 0.00 C ATOM 1448 CD2 LEU B 39 -3.028 -13.215 7.924 1.00 0.00 C ATOM 0 H LEU B 39 1.132 -14.039 6.989 1.00 0.00 H new ATOM 0 HA LEU B 39 -1.544 -13.832 5.734 1.00 0.00 H new ATOM 0 HB2 LEU B 39 0.104 -11.836 7.300 1.00 0.00 H new ATOM 0 HB3 LEU B 39 -1.365 -11.457 6.422 1.00 0.00 H new ATOM 0 HG LEU B 39 -1.111 -13.253 8.840 1.00 0.00 H new ATOM 0 HD11 LEU B 39 -2.533 -11.440 9.879 1.00 0.00 H new ATOM 0 HD12 LEU B 39 -0.994 -10.787 9.269 1.00 0.00 H new ATOM 0 HD13 LEU B 39 -2.492 -10.553 8.337 1.00 0.00 H new ATOM 0 HD21 LEU B 39 -3.565 -13.405 8.854 1.00 0.00 H new ATOM 0 HD22 LEU B 39 -3.622 -12.556 7.290 1.00 0.00 H new ATOM 0 HD23 LEU B 39 -2.855 -14.158 7.405 1.00 0.00 H new ATOM 1460 N THR B 40 -0.366 -12.832 3.646 1.00 0.00 N ATOM 1461 CA THR B 40 0.377 -12.309 2.508 1.00 0.00 C ATOM 1462 C THR B 40 0.699 -10.837 2.799 1.00 0.00 C ATOM 1463 O THR B 40 -0.058 -10.164 3.494 1.00 0.00 O ATOM 1464 CB THR B 40 -0.413 -12.513 1.201 1.00 0.00 C ATOM 1465 OG1 THR B 40 0.124 -11.740 0.146 1.00 0.00 O ATOM 1466 CG2 THR B 40 -1.900 -12.166 1.319 1.00 0.00 C ATOM 0 H THR B 40 -1.320 -13.133 3.447 1.00 0.00 H new ATOM 0 HA THR B 40 1.314 -12.848 2.366 1.00 0.00 H new ATOM 0 HB THR B 40 -0.321 -13.578 0.990 1.00 0.00 H new ATOM 0 HG1 THR B 40 -0.398 -11.892 -0.670 1.00 0.00 H new ATOM 0 HG21 THR B 40 -2.390 -12.334 0.360 1.00 0.00 H new ATOM 0 HG22 THR B 40 -2.362 -12.797 2.078 1.00 0.00 H new ATOM 0 HG23 THR B 40 -2.008 -11.119 1.603 1.00 0.00 H new ATOM 1474 N VAL B 41 1.783 -10.306 2.228 1.00 0.00 N ATOM 1475 CA VAL B 41 2.200 -8.914 2.381 1.00 0.00 C ATOM 1476 C VAL B 41 1.005 -7.966 2.158 1.00 0.00 C ATOM 1477 O VAL B 41 0.826 -6.997 2.897 1.00 0.00 O ATOM 1478 CB VAL B 41 3.373 -8.616 1.415 1.00 0.00 C ATOM 1479 CG1 VAL B 41 3.692 -7.126 1.235 1.00 0.00 C ATOM 1480 CG2 VAL B 41 4.657 -9.283 1.911 1.00 0.00 C ATOM 0 H VAL B 41 2.409 -10.847 1.632 1.00 0.00 H new ATOM 0 HA VAL B 41 2.553 -8.745 3.398 1.00 0.00 H new ATOM 0 HB VAL B 41 3.038 -9.011 0.456 1.00 0.00 H new ATOM 0 HG11 VAL B 41 4.526 -7.014 0.542 1.00 0.00 H new ATOM 0 HG12 VAL B 41 2.817 -6.612 0.836 1.00 0.00 H new ATOM 0 HG13 VAL B 41 3.960 -6.692 2.198 1.00 0.00 H new ATOM 0 HG21 VAL B 41 5.471 -9.063 1.220 1.00 0.00 H new ATOM 0 HG22 VAL B 41 4.907 -8.900 2.900 1.00 0.00 H new ATOM 0 HG23 VAL B 41 4.509 -10.361 1.966 1.00 0.00 H new ATOM 1490 N SER B 42 0.140 -8.221 1.180 1.00 0.00 N ATOM 1491 CA SER B 42 -0.998 -7.337 0.958 1.00 0.00 C ATOM 1492 C SER B 42 -1.957 -7.326 2.170 1.00 0.00 C ATOM 1493 O SER B 42 -2.526 -6.279 2.488 1.00 0.00 O ATOM 1494 CB SER B 42 -1.698 -7.774 -0.332 1.00 0.00 C ATOM 1495 OG SER B 42 -0.756 -7.947 -1.383 1.00 0.00 O ATOM 0 H SER B 42 0.202 -9.014 0.542 1.00 0.00 H new ATOM 0 HA SER B 42 -0.653 -6.309 0.849 1.00 0.00 H new ATOM 0 HB2 SER B 42 -2.235 -8.707 -0.162 1.00 0.00 H new ATOM 0 HB3 SER B 42 -2.438 -7.028 -0.620 1.00 0.00 H new ATOM 0 HG SER B 42 -1.223 -8.228 -2.198 1.00 0.00 H new ATOM 1501 N ALA B 43 -2.142 -8.479 2.830 1.00 0.00 N ATOM 1502 CA ALA B 43 -2.984 -8.658 4.006 1.00 0.00 C ATOM 1503 C ALA B 43 -2.313 -8.068 5.245 1.00 0.00 C ATOM 1504 O ALA B 43 -2.985 -7.382 6.003 1.00 0.00 O ATOM 1505 CB ALA B 43 -3.287 -10.132 4.277 1.00 0.00 C ATOM 0 H ALA B 43 -1.686 -9.344 2.541 1.00 0.00 H new ATOM 0 HA ALA B 43 -3.919 -8.138 3.799 1.00 0.00 H new ATOM 0 HB1 ALA B 43 -3.917 -10.217 5.162 1.00 0.00 H new ATOM 0 HB2 ALA B 43 -3.806 -10.560 3.420 1.00 0.00 H new ATOM 0 HB3 ALA B 43 -2.354 -10.671 4.443 1.00 0.00 H new ATOM 1511 N TYR B 44 -1.017 -8.324 5.470 1.00 0.00 N ATOM 1512 CA TYR B 44 -0.306 -7.784 6.631 1.00 0.00 C ATOM 1513 C TYR B 44 -0.436 -6.253 6.643 1.00 0.00 C ATOM 1514 O TYR B 44 -0.723 -5.680 7.690 1.00 0.00 O ATOM 1515 CB TYR B 44 1.097 -8.376 6.769 1.00 0.00 C ATOM 1516 CG TYR B 44 1.965 -7.710 7.826 1.00 0.00 C ATOM 1517 CD1 TYR B 44 2.486 -6.420 7.608 1.00 0.00 C ATOM 1518 CD2 TYR B 44 2.305 -8.388 9.014 1.00 0.00 C ATOM 1519 CE1 TYR B 44 3.367 -5.830 8.524 1.00 0.00 C ATOM 1520 CE2 TYR B 44 3.153 -7.782 9.963 1.00 0.00 C ATOM 1521 CZ TYR B 44 3.685 -6.494 9.731 1.00 0.00 C ATOM 1522 OH TYR B 44 4.535 -5.930 10.633 1.00 0.00 O ATOM 0 H TYR B 44 -0.441 -8.904 4.860 1.00 0.00 H new ATOM 0 HA TYR B 44 -0.772 -8.106 7.562 1.00 0.00 H new ATOM 0 HB2 TYR B 44 1.008 -9.436 7.006 1.00 0.00 H new ATOM 0 HB3 TYR B 44 1.603 -8.306 5.806 1.00 0.00 H new ATOM 0 HD1 TYR B 44 2.202 -5.876 6.719 1.00 0.00 H new ATOM 0 HD2 TYR B 44 1.914 -9.378 9.198 1.00 0.00 H new ATOM 0 HE1 TYR B 44 3.804 -4.866 8.308 1.00 0.00 H new ATOM 0 HE2 TYR B 44 3.398 -8.307 10.875 1.00 0.00 H new ATOM 0 HH TYR B 44 4.580 -4.963 10.480 1.00 0.00 H new ATOM 1532 N ILE B 45 -0.329 -5.585 5.484 1.00 0.00 N ATOM 1533 CA ILE B 45 -0.462 -4.130 5.392 1.00 0.00 C ATOM 1534 C ILE B 45 -1.828 -3.698 5.942 1.00 0.00 C ATOM 1535 O ILE B 45 -1.888 -2.962 6.924 1.00 0.00 O ATOM 1536 CB ILE B 45 -0.244 -3.646 3.933 1.00 0.00 C ATOM 1537 CG1 ILE B 45 1.241 -3.699 3.519 1.00 0.00 C ATOM 1538 CG2 ILE B 45 -0.811 -2.235 3.682 1.00 0.00 C ATOM 1539 CD1 ILE B 45 2.142 -2.651 4.170 1.00 0.00 C ATOM 0 H ILE B 45 -0.148 -6.040 4.589 1.00 0.00 H new ATOM 0 HA ILE B 45 0.311 -3.660 6.000 1.00 0.00 H new ATOM 0 HB ILE B 45 -0.802 -4.345 3.309 1.00 0.00 H new ATOM 0 HG12 ILE B 45 1.632 -4.688 3.758 1.00 0.00 H new ATOM 0 HG13 ILE B 45 1.303 -3.585 2.437 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -0.630 -1.949 2.646 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -1.884 -2.234 3.877 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -0.321 -1.523 4.346 1.00 0.00 H new ATOM 0 HD11 ILE B 45 3.164 -2.776 3.811 1.00 0.00 H new ATOM 0 HD12 ILE B 45 1.786 -1.654 3.911 1.00 0.00 H new ATOM 0 HD13 ILE B 45 2.120 -2.774 5.253 1.00 0.00 H new ATOM 1551 N ARG B 46 -2.921 -4.115 5.289 1.00 0.00 N ATOM 1552 CA ARG B 46 -4.277 -3.756 5.703 1.00 0.00 C ATOM 1553 C ARG B 46 -4.540 -4.156 7.149 1.00 0.00 C ATOM 1554 O ARG B 46 -5.038 -3.330 7.895 1.00 0.00 O ATOM 1555 CB ARG B 46 -5.334 -4.294 4.716 1.00 0.00 C ATOM 1556 CG ARG B 46 -5.311 -5.823 4.559 1.00 0.00 C ATOM 1557 CD ARG B 46 -6.109 -6.388 3.384 1.00 0.00 C ATOM 1558 NE ARG B 46 -5.619 -5.885 2.096 1.00 0.00 N ATOM 1559 CZ ARG B 46 -5.989 -6.318 0.889 1.00 0.00 C ATOM 1560 NH1 ARG B 46 -6.629 -7.476 0.739 1.00 0.00 N ATOM 1561 NH2 ARG B 46 -5.690 -5.598 -0.183 1.00 0.00 N ATOM 0 H ARG B 46 -2.886 -4.709 4.461 1.00 0.00 H new ATOM 0 HA ARG B 46 -4.365 -2.670 5.669 1.00 0.00 H new ATOM 0 HB2 ARG B 46 -6.324 -3.987 5.054 1.00 0.00 H new ATOM 0 HB3 ARG B 46 -5.174 -3.835 3.740 1.00 0.00 H new ATOM 0 HG2 ARG B 46 -4.274 -6.142 4.455 1.00 0.00 H new ATOM 0 HG3 ARG B 46 -5.691 -6.269 5.478 1.00 0.00 H new ATOM 0 HD2 ARG B 46 -6.049 -7.476 3.395 1.00 0.00 H new ATOM 0 HD3 ARG B 46 -7.160 -6.125 3.500 1.00 0.00 H new ATOM 0 HE ARG B 46 -4.930 -5.133 2.126 1.00 0.00 H new ATOM 0 HH11 ARG B 46 -6.845 -8.049 1.555 1.00 0.00 H new ATOM 0 HH12 ARG B 46 -6.904 -7.790 -0.192 1.00 0.00 H new ATOM 0 HH21 ARG B 46 -5.181 -4.720 -0.082 1.00 0.00 H new ATOM 0 HH22 ARG B 46 -5.969 -5.922 -1.109 1.00 0.00 H new ATOM 1575 N ASN B 47 -4.187 -5.373 7.556 1.00 0.00 N ATOM 1576 CA ASN B 47 -4.400 -5.859 8.908 1.00 0.00 C ATOM 1577 C ASN B 47 -3.777 -4.912 9.924 1.00 0.00 C ATOM 1578 O ASN B 47 -4.485 -4.435 10.809 1.00 0.00 O ATOM 1579 CB ASN B 47 -3.851 -7.279 9.069 1.00 0.00 C ATOM 1580 CG ASN B 47 -4.028 -7.715 10.514 1.00 0.00 C ATOM 1581 OD1 ASN B 47 -5.154 -7.883 10.977 1.00 0.00 O ATOM 1582 ND2 ASN B 47 -2.948 -7.907 11.239 1.00 0.00 N ATOM 0 H ASN B 47 -3.739 -6.055 6.944 1.00 0.00 H new ATOM 0 HA ASN B 47 -5.474 -5.893 9.094 1.00 0.00 H new ATOM 0 HB2 ASN B 47 -4.375 -7.963 8.402 1.00 0.00 H new ATOM 0 HB3 ASN B 47 -2.797 -7.309 8.793 1.00 0.00 H new ATOM 0 HD21 ASN B 47 -3.033 -8.203 12.211 1.00 0.00 H new ATOM 0 HD22 ASN B 47 -2.026 -7.760 10.829 1.00 0.00 H new ATOM 1589 N ALA B 48 -2.484 -4.621 9.766 1.00 0.00 N ATOM 1590 CA ALA B 48 -1.739 -3.735 10.649 1.00 0.00 C ATOM 1591 C ALA B 48 -2.264 -2.294 10.608 1.00 0.00 C ATOM 1592 O ALA B 48 -2.140 -1.572 11.592 1.00 0.00 O ATOM 1593 CB ALA B 48 -0.262 -3.769 10.232 1.00 0.00 C ATOM 0 H ALA B 48 -1.920 -5.003 9.007 1.00 0.00 H new ATOM 0 HA ALA B 48 -1.862 -4.085 11.674 1.00 0.00 H new ATOM 0 HB1 ALA B 48 0.315 -3.111 10.882 1.00 0.00 H new ATOM 0 HB2 ALA B 48 0.117 -4.787 10.318 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -0.168 -3.433 9.199 1.00 0.00 H new ATOM 1599 N ALA B 49 -2.820 -1.871 9.469 1.00 0.00 N ATOM 1600 CA ALA B 49 -3.358 -0.530 9.263 1.00 0.00 C ATOM 1601 C ALA B 49 -4.745 -0.334 9.878 1.00 0.00 C ATOM 1602 O ALA B 49 -5.185 0.804 9.999 1.00 0.00 O ATOM 1603 CB ALA B 49 -3.466 -0.240 7.765 1.00 0.00 C ATOM 0 H ALA B 49 -2.909 -2.468 8.647 1.00 0.00 H new ATOM 0 HA ALA B 49 -2.667 0.152 9.758 1.00 0.00 H new ATOM 0 HB1 ALA B 49 -3.868 0.762 7.616 1.00 0.00 H new ATOM 0 HB2 ALA B 49 -2.478 -0.306 7.310 1.00 0.00 H new ATOM 0 HB3 ALA B 49 -4.129 -0.970 7.300 1.00 0.00 H new ATOM 1609 N LEU B 50 -5.449 -1.404 10.253 1.00 0.00 N ATOM 1610 CA LEU B 50 -6.784 -1.314 10.833 1.00 0.00 C ATOM 1611 C LEU B 50 -6.833 -1.746 12.295 1.00 0.00 C ATOM 1612 O LEU B 50 -7.636 -1.206 13.062 1.00 0.00 O ATOM 1613 CB LEU B 50 -7.716 -2.255 10.055 1.00 0.00 C ATOM 1614 CG LEU B 50 -7.791 -1.998 8.539 1.00 0.00 C ATOM 1615 CD1 LEU B 50 -8.211 -3.295 7.849 1.00 0.00 C ATOM 1616 CD2 LEU B 50 -8.728 -0.848 8.198 1.00 0.00 C ATOM 0 H LEU B 50 -5.105 -2.360 10.161 1.00 0.00 H new ATOM 0 HA LEU B 50 -7.086 -0.268 10.774 1.00 0.00 H new ATOM 0 HB2 LEU B 50 -7.387 -3.282 10.217 1.00 0.00 H new ATOM 0 HB3 LEU B 50 -8.720 -2.172 10.471 1.00 0.00 H new ATOM 0 HG LEU B 50 -6.808 -1.694 8.178 1.00 0.00 H new ATOM 0 HD11 LEU B 50 -8.270 -3.132 6.773 1.00 0.00 H new ATOM 0 HD12 LEU B 50 -7.477 -4.073 8.059 1.00 0.00 H new ATOM 0 HD13 LEU B 50 -9.187 -3.606 8.222 1.00 0.00 H new ATOM 0 HD21 LEU B 50 -8.749 -0.704 7.118 1.00 0.00 H new ATOM 0 HD22 LEU B 50 -9.732 -1.080 8.553 1.00 0.00 H new ATOM 0 HD23 LEU B 50 -8.375 0.064 8.679 1.00 0.00 H new ATOM 1628 N ASN B 51 -6.030 -2.747 12.657 1.00 0.00 N ATOM 1629 CA ASN B 51 -5.991 -3.315 13.997 1.00 0.00 C ATOM 1630 C ASN B 51 -4.845 -2.785 14.806 1.00 0.00 C ATOM 1631 O ASN B 51 -5.137 -2.004 15.734 1.00 0.00 O ATOM 1632 CB ASN B 51 -5.935 -4.842 13.928 1.00 0.00 C ATOM 1633 CG ASN B 51 -7.189 -5.379 13.279 1.00 0.00 C ATOM 1634 OD1 ASN B 51 -8.268 -5.362 13.868 1.00 0.00 O ATOM 1635 ND2 ASN B 51 -7.094 -5.836 12.044 1.00 0.00 N ATOM 0 H ASN B 51 -5.377 -3.192 12.011 1.00 0.00 H new ATOM 0 HA ASN B 51 -6.909 -3.013 14.502 1.00 0.00 H new ATOM 0 HB2 ASN B 51 -5.059 -5.156 13.360 1.00 0.00 H new ATOM 0 HB3 ASN B 51 -5.830 -5.255 14.931 1.00 0.00 H new ATOM 0 HD21 ASN B 51 -7.924 -6.182 11.563 1.00 0.00 H new ATOM 0 HD22 ASN B 51 -6.190 -5.843 11.571 1.00 0.00 H new