USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=18 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 40 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: B 42 SER OG : rot 180:sc= 0.0172 USER MOD Single : A 15 THR OG1 : rot 35:sc= 0.699 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 79:sc= 0.196 USER MOD Single : A 32 LYS NZ :NH3+ 167:sc= -0.0178 (180deg=-0.192) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -23:sc= 0.264 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0.025 USER MOD Single : A 44 TYR OH : rot 15:sc= 1.22 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= 0.515 K(o=0.51,f=0) USER MOD Single : B 15 THR OG1 : rot 19:sc= 1.27 USER MOD Single : B 19 THR OG1 : rot 180:sc= 0 USER MOD Single : B 23 SER OG : rot 127:sc= 1.26 USER MOD Single : B 29 THR OG1 : rot 86:sc= 0.099 USER MOD Single : B 32 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0404) USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 37 SER OG : rot -22:sc= 0.099 USER MOD Single : B 44 TYR OH : rot 0:sc= 1.32 USER MOD Single : B 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 51 ASN : amide:sc= 0.729 K(o=0.73,f=0) USER MOD ----------------------------------------------------------------- ATOM 234 N THR A 15 12.866 0.769 -4.398 1.00 0.00 N ATOM 235 CA THR A 15 11.527 0.644 -3.895 1.00 0.00 C ATOM 236 C THR A 15 10.851 -0.617 -4.447 1.00 0.00 C ATOM 237 O THR A 15 11.411 -1.439 -5.177 1.00 0.00 O ATOM 238 CB THR A 15 10.773 1.933 -4.312 1.00 0.00 C ATOM 239 OG1 THR A 15 9.527 2.058 -3.666 1.00 0.00 O ATOM 240 CG2 THR A 15 10.491 2.071 -5.811 1.00 0.00 C ATOM 0 HA THR A 15 11.521 0.537 -2.810 1.00 0.00 H new ATOM 0 HB THR A 15 11.470 2.715 -4.011 1.00 0.00 H new ATOM 0 HG1 THR A 15 9.591 1.693 -2.759 1.00 0.00 H new ATOM 0 HG21 THR A 15 9.961 3.005 -5.997 1.00 0.00 H new ATOM 0 HG22 THR A 15 11.433 2.073 -6.360 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.878 1.233 -6.145 1.00 0.00 H new ATOM 248 N VAL A 16 9.594 -0.740 -4.064 1.00 0.00 N ATOM 249 CA VAL A 16 8.636 -1.748 -4.437 1.00 0.00 C ATOM 250 C VAL A 16 7.540 -0.874 -5.005 1.00 0.00 C ATOM 251 O VAL A 16 7.323 0.237 -4.506 1.00 0.00 O ATOM 252 CB VAL A 16 8.080 -2.531 -3.240 1.00 0.00 C ATOM 253 CG1 VAL A 16 7.271 -3.736 -3.740 1.00 0.00 C ATOM 254 CG2 VAL A 16 9.173 -2.999 -2.298 1.00 0.00 C ATOM 0 H VAL A 16 9.184 -0.065 -3.419 1.00 0.00 H new ATOM 0 HA VAL A 16 9.054 -2.510 -5.095 1.00 0.00 H new ATOM 0 HB VAL A 16 7.436 -1.855 -2.678 1.00 0.00 H new ATOM 0 HG11 VAL A 16 6.878 -4.289 -2.887 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.444 -3.388 -4.359 1.00 0.00 H new ATOM 0 HG13 VAL A 16 7.916 -4.388 -4.329 1.00 0.00 H new ATOM 0 HG21 VAL A 16 8.728 -3.548 -1.468 1.00 0.00 H new ATOM 0 HG22 VAL A 16 9.862 -3.650 -2.835 1.00 0.00 H new ATOM 0 HG23 VAL A 16 9.716 -2.136 -1.913 1.00 0.00 H new ATOM 264 N VAL A 17 6.866 -1.335 -6.039 1.00 0.00 N ATOM 265 CA VAL A 17 5.795 -0.585 -6.639 1.00 0.00 C ATOM 266 C VAL A 17 4.713 -1.613 -6.885 1.00 0.00 C ATOM 267 O VAL A 17 4.796 -2.465 -7.772 1.00 0.00 O ATOM 268 CB VAL A 17 6.309 0.231 -7.832 1.00 0.00 C ATOM 269 CG1 VAL A 17 6.804 -0.616 -8.993 1.00 0.00 C ATOM 270 CG2 VAL A 17 5.221 1.181 -8.310 1.00 0.00 C ATOM 0 H VAL A 17 7.048 -2.236 -6.481 1.00 0.00 H new ATOM 0 HA VAL A 17 5.365 0.204 -6.022 1.00 0.00 H new ATOM 0 HB VAL A 17 7.175 0.787 -7.473 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.150 0.034 -9.796 1.00 0.00 H new ATOM 0 HG12 VAL A 17 7.626 -1.248 -8.658 1.00 0.00 H new ATOM 0 HG13 VAL A 17 5.991 -1.243 -9.359 1.00 0.00 H new ATOM 0 HG21 VAL A 17 5.589 1.759 -9.157 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.346 0.608 -8.615 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.948 1.858 -7.501 1.00 0.00 H new ATOM 280 N ARG A 18 3.721 -1.596 -6.006 1.00 0.00 N ATOM 281 CA ARG A 18 2.602 -2.513 -6.091 1.00 0.00 C ATOM 282 C ARG A 18 1.305 -1.743 -6.037 1.00 0.00 C ATOM 283 O ARG A 18 1.213 -0.610 -5.555 1.00 0.00 O ATOM 284 CB ARG A 18 2.701 -3.637 -5.042 1.00 0.00 C ATOM 285 CG ARG A 18 2.953 -4.993 -5.727 1.00 0.00 C ATOM 286 CD ARG A 18 2.951 -6.109 -4.684 1.00 0.00 C ATOM 287 NE ARG A 18 3.212 -7.439 -5.253 1.00 0.00 N ATOM 288 CZ ARG A 18 2.316 -8.391 -5.530 1.00 0.00 C ATOM 289 NH1 ARG A 18 1.019 -8.119 -5.659 1.00 0.00 N ATOM 290 NH2 ARG A 18 2.745 -9.636 -5.676 1.00 0.00 N ATOM 0 H ARG A 18 3.672 -0.949 -5.219 1.00 0.00 H new ATOM 0 HA ARG A 18 2.630 -3.026 -7.053 1.00 0.00 H new ATOM 0 HB2 ARG A 18 3.509 -3.420 -4.343 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.780 -3.682 -4.461 1.00 0.00 H new ATOM 0 HG2 ARG A 18 2.183 -5.181 -6.475 1.00 0.00 H new ATOM 0 HG3 ARG A 18 3.909 -4.974 -6.251 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.705 -5.891 -3.928 1.00 0.00 H new ATOM 0 HD3 ARG A 18 1.986 -6.121 -4.178 1.00 0.00 H new ATOM 0 HE ARG A 18 4.186 -7.660 -5.460 1.00 0.00 H new ATOM 0 HH11 ARG A 18 0.685 -7.162 -5.546 1.00 0.00 H new ATOM 0 HH12 ARG A 18 0.359 -8.868 -5.871 1.00 0.00 H new ATOM 0 HH21 ARG A 18 3.738 -9.848 -5.577 1.00 0.00 H new ATOM 0 HH22 ARG A 18 2.083 -10.382 -5.888 1.00 0.00 H new ATOM 304 N THR A 19 0.290 -2.418 -6.539 1.00 0.00 N ATOM 305 CA THR A 19 -1.067 -1.951 -6.644 1.00 0.00 C ATOM 306 C THR A 19 -1.738 -2.477 -5.381 1.00 0.00 C ATOM 307 O THR A 19 -2.295 -3.577 -5.345 1.00 0.00 O ATOM 308 CB THR A 19 -1.606 -2.511 -7.963 1.00 0.00 C ATOM 309 OG1 THR A 19 -0.626 -2.417 -8.984 1.00 0.00 O ATOM 310 CG2 THR A 19 -2.830 -1.742 -8.404 1.00 0.00 C ATOM 0 H THR A 19 0.404 -3.363 -6.905 1.00 0.00 H new ATOM 0 HA THR A 19 -1.224 -0.873 -6.686 1.00 0.00 H new ATOM 0 HB THR A 19 -1.865 -3.557 -7.796 1.00 0.00 H new ATOM 0 HG1 THR A 19 -0.988 -2.781 -9.819 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.200 -2.154 -9.343 1.00 0.00 H new ATOM 0 HG22 THR A 19 -3.605 -1.824 -7.642 1.00 0.00 H new ATOM 0 HG23 THR A 19 -2.569 -0.693 -8.545 1.00 0.00 H new ATOM 318 N LEU A 20 -1.562 -1.729 -4.301 1.00 0.00 N ATOM 319 CA LEU A 20 -2.073 -2.064 -2.978 1.00 0.00 C ATOM 320 C LEU A 20 -3.526 -1.614 -2.820 1.00 0.00 C ATOM 321 O LEU A 20 -3.798 -0.464 -2.470 1.00 0.00 O ATOM 322 CB LEU A 20 -1.144 -1.494 -1.882 1.00 0.00 C ATOM 323 CG LEU A 20 -0.988 -2.389 -0.631 1.00 0.00 C ATOM 324 CD1 LEU A 20 -2.296 -3.001 -0.111 1.00 0.00 C ATOM 325 CD2 LEU A 20 0.001 -3.530 -0.899 1.00 0.00 C ATOM 0 H LEU A 20 -1.046 -0.849 -4.321 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.075 -3.148 -2.862 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.158 -1.324 -2.314 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.527 -0.522 -1.570 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.619 -1.714 0.141 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.088 -3.612 0.767 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.989 -2.204 0.158 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.741 -3.622 -0.888 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.095 -4.147 -0.005 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.363 -4.141 -1.725 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.975 -3.114 -1.157 1.00 0.00 H new ATOM 337 N ARG A 21 -4.463 -2.516 -3.118 1.00 0.00 N ATOM 338 CA ARG A 21 -5.885 -2.270 -3.011 1.00 0.00 C ATOM 339 C ARG A 21 -6.371 -2.257 -1.569 1.00 0.00 C ATOM 340 O ARG A 21 -5.913 -3.058 -0.749 1.00 0.00 O ATOM 341 CB ARG A 21 -6.660 -3.367 -3.762 1.00 0.00 C ATOM 342 CG ARG A 21 -6.964 -2.985 -5.208 1.00 0.00 C ATOM 343 CD ARG A 21 -5.756 -2.868 -6.131 1.00 0.00 C ATOM 344 NE ARG A 21 -5.130 -4.176 -6.403 1.00 0.00 N ATOM 345 CZ ARG A 21 -4.708 -4.642 -7.583 1.00 0.00 C ATOM 346 NH1 ARG A 21 -5.019 -4.023 -8.714 1.00 0.00 N ATOM 347 NH2 ARG A 21 -3.969 -5.741 -7.618 1.00 0.00 N ATOM 0 H ARG A 21 -4.240 -3.455 -3.447 1.00 0.00 H new ATOM 0 HA ARG A 21 -6.065 -1.286 -3.445 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.081 -4.290 -3.748 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.595 -3.569 -3.239 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -7.645 -3.727 -5.624 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -7.492 -2.031 -5.209 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -6.064 -2.412 -7.072 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.020 -2.202 -5.680 1.00 0.00 H new ATOM 0 HE ARG A 21 -5.005 -4.794 -5.601 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.589 -3.177 -8.692 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -4.688 -4.393 -9.605 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -3.728 -6.221 -6.751 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -3.641 -6.107 -8.512 1.00 0.00 H new ATOM 361 N PHE A 22 -7.371 -1.415 -1.323 1.00 0.00 N ATOM 362 CA PHE A 22 -8.068 -1.236 -0.049 1.00 0.00 C ATOM 363 C PHE A 22 -9.552 -1.139 -0.389 1.00 0.00 C ATOM 364 O PHE A 22 -9.894 -0.783 -1.524 1.00 0.00 O ATOM 365 CB PHE A 22 -7.601 0.012 0.713 1.00 0.00 C ATOM 366 CG PHE A 22 -6.172 -0.069 1.204 1.00 0.00 C ATOM 367 CD1 PHE A 22 -5.128 0.288 0.336 1.00 0.00 C ATOM 368 CD2 PHE A 22 -5.874 -0.515 2.508 1.00 0.00 C ATOM 369 CE1 PHE A 22 -3.794 0.192 0.758 1.00 0.00 C ATOM 370 CE2 PHE A 22 -4.537 -0.588 2.938 1.00 0.00 C ATOM 371 CZ PHE A 22 -3.497 -0.234 2.062 1.00 0.00 C ATOM 0 H PHE A 22 -7.740 -0.802 -2.050 1.00 0.00 H new ATOM 0 HA PHE A 22 -7.854 -2.074 0.614 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -7.703 0.882 0.064 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -8.260 0.172 1.567 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -5.353 0.638 -0.661 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -6.673 -0.801 3.177 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -2.994 0.446 0.079 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.310 -0.916 3.942 1.00 0.00 H new ATOM 0 HZ PHE A 22 -2.470 -0.290 2.392 1.00 0.00 H new ATOM 381 N SER A 23 -10.432 -1.528 0.532 1.00 0.00 N ATOM 382 CA SER A 23 -11.877 -1.459 0.298 1.00 0.00 C ATOM 383 C SER A 23 -12.321 -0.037 0.700 1.00 0.00 C ATOM 384 O SER A 23 -11.534 0.661 1.342 1.00 0.00 O ATOM 385 CB SER A 23 -12.583 -2.588 1.074 1.00 0.00 C ATOM 386 OG SER A 23 -11.788 -3.769 1.107 1.00 0.00 O ATOM 0 H SER A 23 -10.172 -1.894 1.448 1.00 0.00 H new ATOM 0 HA SER A 23 -12.148 -1.619 -0.745 1.00 0.00 H new ATOM 0 HB2 SER A 23 -12.790 -2.258 2.092 1.00 0.00 H new ATOM 0 HB3 SER A 23 -13.544 -2.807 0.608 1.00 0.00 H new ATOM 0 HG SER A 23 -12.260 -4.467 1.607 1.00 0.00 H new ATOM 392 N PRO A 24 -13.540 0.429 0.378 1.00 0.00 N ATOM 393 CA PRO A 24 -13.959 1.783 0.746 1.00 0.00 C ATOM 394 C PRO A 24 -14.093 1.934 2.264 1.00 0.00 C ATOM 395 O PRO A 24 -13.876 3.013 2.806 1.00 0.00 O ATOM 396 CB PRO A 24 -15.292 2.011 0.028 1.00 0.00 C ATOM 397 CG PRO A 24 -15.842 0.593 -0.111 1.00 0.00 C ATOM 398 CD PRO A 24 -14.593 -0.251 -0.353 1.00 0.00 C ATOM 0 HA PRO A 24 -13.220 2.527 0.448 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -15.960 2.650 0.606 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -15.154 2.489 -0.942 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -16.371 0.278 0.788 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -16.546 0.515 -0.939 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -14.729 -1.271 0.006 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -14.359 -0.316 -1.416 1.00 0.00 H new ATOM 406 N VAL A 25 -14.451 0.852 2.959 1.00 0.00 N ATOM 407 CA VAL A 25 -14.599 0.857 4.404 1.00 0.00 C ATOM 408 C VAL A 25 -13.211 1.009 5.033 1.00 0.00 C ATOM 409 O VAL A 25 -13.030 1.837 5.920 1.00 0.00 O ATOM 410 CB VAL A 25 -15.358 -0.405 4.857 1.00 0.00 C ATOM 411 CG1 VAL A 25 -15.602 -0.364 6.368 1.00 0.00 C ATOM 412 CG2 VAL A 25 -16.724 -0.525 4.154 1.00 0.00 C ATOM 0 H VAL A 25 -14.645 -0.052 2.528 1.00 0.00 H new ATOM 0 HA VAL A 25 -15.200 1.701 4.742 1.00 0.00 H new ATOM 0 HB VAL A 25 -14.740 -1.263 4.593 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -16.139 -1.262 6.674 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -14.646 -0.317 6.890 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -16.195 0.516 6.617 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -17.232 -1.426 4.497 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -17.333 0.347 4.391 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -16.575 -0.581 3.076 1.00 0.00 H new ATOM 422 N GLU A 26 -12.226 0.255 4.535 1.00 0.00 N ATOM 423 CA GLU A 26 -10.860 0.297 5.043 1.00 0.00 C ATOM 424 C GLU A 26 -10.266 1.672 4.789 1.00 0.00 C ATOM 425 O GLU A 26 -9.659 2.251 5.680 1.00 0.00 O ATOM 426 CB GLU A 26 -9.971 -0.768 4.392 1.00 0.00 C ATOM 427 CG GLU A 26 -10.601 -2.155 4.271 1.00 0.00 C ATOM 428 CD GLU A 26 -11.073 -2.828 5.563 1.00 0.00 C ATOM 429 OE1 GLU A 26 -11.670 -2.192 6.453 1.00 0.00 O ATOM 430 OE2 GLU A 26 -10.968 -4.076 5.606 1.00 0.00 O ATOM 0 H GLU A 26 -12.359 -0.402 3.766 1.00 0.00 H new ATOM 0 HA GLU A 26 -10.899 0.091 6.113 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.691 -0.425 3.396 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -9.051 -0.853 4.970 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.455 -2.080 3.598 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -9.876 -2.814 3.793 1.00 0.00 H new ATOM 437 N ASP A 27 -10.446 2.184 3.570 1.00 0.00 N ATOM 438 CA ASP A 27 -9.942 3.483 3.154 1.00 0.00 C ATOM 439 C ASP A 27 -10.481 4.588 4.036 1.00 0.00 C ATOM 440 O ASP A 27 -9.712 5.454 4.430 1.00 0.00 O ATOM 441 CB ASP A 27 -10.369 3.753 1.714 1.00 0.00 C ATOM 442 CG ASP A 27 -10.016 5.169 1.234 1.00 0.00 C ATOM 443 OD1 ASP A 27 -8.813 5.516 1.134 1.00 0.00 O ATOM 444 OD2 ASP A 27 -10.941 5.909 0.833 1.00 0.00 O ATOM 0 H ASP A 27 -10.956 1.694 2.835 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.855 3.468 3.237 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -9.893 3.025 1.058 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -11.445 3.605 1.627 1.00 0.00 H new ATOM 449 N GLU A 28 -11.775 4.559 4.344 1.00 0.00 N ATOM 450 CA GLU A 28 -12.416 5.552 5.180 1.00 0.00 C ATOM 451 C GLU A 28 -11.788 5.515 6.576 1.00 0.00 C ATOM 452 O GLU A 28 -11.332 6.551 7.059 1.00 0.00 O ATOM 453 CB GLU A 28 -13.927 5.292 5.144 1.00 0.00 C ATOM 454 CG GLU A 28 -14.779 6.384 5.799 1.00 0.00 C ATOM 455 CD GLU A 28 -14.945 6.230 7.311 1.00 0.00 C ATOM 456 OE1 GLU A 28 -15.035 5.090 7.824 1.00 0.00 O ATOM 457 OE2 GLU A 28 -15.031 7.284 7.979 1.00 0.00 O ATOM 0 H GLU A 28 -12.410 3.833 4.012 1.00 0.00 H new ATOM 0 HA GLU A 28 -12.263 6.570 4.821 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -14.238 5.181 4.105 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -14.131 4.344 5.641 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -14.327 7.354 5.592 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -15.765 6.386 5.335 1.00 0.00 H new ATOM 464 N THR A 29 -11.701 4.337 7.202 1.00 0.00 N ATOM 465 CA THR A 29 -11.112 4.189 8.526 1.00 0.00 C ATOM 466 C THR A 29 -9.654 4.665 8.508 1.00 0.00 C ATOM 467 O THR A 29 -9.278 5.520 9.309 1.00 0.00 O ATOM 468 CB THR A 29 -11.225 2.716 8.971 1.00 0.00 C ATOM 469 OG1 THR A 29 -12.579 2.289 8.979 1.00 0.00 O ATOM 470 CG2 THR A 29 -10.611 2.462 10.353 1.00 0.00 C ATOM 0 H THR A 29 -12.039 3.462 6.800 1.00 0.00 H new ATOM 0 HA THR A 29 -11.650 4.806 9.245 1.00 0.00 H new ATOM 0 HB THR A 29 -10.658 2.139 8.240 1.00 0.00 H new ATOM 0 HG1 THR A 29 -12.865 2.091 8.063 1.00 0.00 H new ATOM 0 HG21 THR A 29 -10.721 1.409 10.612 1.00 0.00 H new ATOM 0 HG22 THR A 29 -9.553 2.723 10.335 1.00 0.00 H new ATOM 0 HG23 THR A 29 -11.123 3.073 11.096 1.00 0.00 H new ATOM 478 N ILE A 30 -8.837 4.138 7.593 1.00 0.00 N ATOM 479 CA ILE A 30 -7.427 4.478 7.462 1.00 0.00 C ATOM 480 C ILE A 30 -7.275 5.979 7.227 1.00 0.00 C ATOM 481 O ILE A 30 -6.402 6.595 7.823 1.00 0.00 O ATOM 482 CB ILE A 30 -6.758 3.610 6.367 1.00 0.00 C ATOM 483 CG1 ILE A 30 -6.687 2.139 6.845 1.00 0.00 C ATOM 484 CG2 ILE A 30 -5.338 4.113 6.028 1.00 0.00 C ATOM 485 CD1 ILE A 30 -6.372 1.132 5.732 1.00 0.00 C ATOM 0 H ILE A 30 -9.149 3.448 6.910 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.901 4.250 8.389 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.364 3.683 5.464 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.925 2.057 7.620 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.639 1.871 7.304 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.902 3.479 5.256 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.392 5.140 5.666 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.716 4.076 6.922 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -6.340 0.126 6.150 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -7.146 1.182 4.966 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -5.406 1.371 5.288 1.00 0.00 H new ATOM 497 N ARG A 31 -8.092 6.591 6.370 1.00 0.00 N ATOM 498 CA ARG A 31 -8.015 8.020 6.077 1.00 0.00 C ATOM 499 C ARG A 31 -8.305 8.830 7.334 1.00 0.00 C ATOM 500 O ARG A 31 -7.642 9.840 7.568 1.00 0.00 O ATOM 501 CB ARG A 31 -8.998 8.353 4.944 1.00 0.00 C ATOM 502 CG ARG A 31 -9.061 9.840 4.583 1.00 0.00 C ATOM 503 CD ARG A 31 -10.254 10.103 3.663 1.00 0.00 C ATOM 504 NE ARG A 31 -10.712 11.497 3.760 1.00 0.00 N ATOM 505 CZ ARG A 31 -11.793 11.979 3.138 1.00 0.00 C ATOM 506 NH1 ARG A 31 -12.456 11.228 2.264 1.00 0.00 N ATOM 507 NH2 ARG A 31 -12.212 13.207 3.401 1.00 0.00 N ATOM 0 H ARG A 31 -8.829 6.106 5.858 1.00 0.00 H new ATOM 0 HA ARG A 31 -7.009 8.282 5.748 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -8.717 7.787 4.056 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -9.994 8.018 5.233 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -9.150 10.439 5.489 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -8.137 10.143 4.090 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -9.976 9.881 2.633 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -11.072 9.431 3.924 1.00 0.00 H new ATOM 0 HE ARG A 31 -10.170 12.138 4.339 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -12.141 10.279 2.065 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -13.280 11.601 1.793 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -11.710 13.783 4.077 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -13.036 13.577 2.928 1.00 0.00 H new ATOM 521 N LYS A 32 -9.302 8.436 8.125 1.00 0.00 N ATOM 522 CA LYS A 32 -9.647 9.164 9.340 1.00 0.00 C ATOM 523 C LYS A 32 -8.546 9.001 10.368 1.00 0.00 C ATOM 524 O LYS A 32 -8.113 10.003 10.939 1.00 0.00 O ATOM 525 CB LYS A 32 -11.024 8.731 9.871 1.00 0.00 C ATOM 526 CG LYS A 32 -12.139 9.630 9.309 1.00 0.00 C ATOM 527 CD LYS A 32 -12.382 9.429 7.807 1.00 0.00 C ATOM 528 CE LYS A 32 -13.289 10.495 7.196 1.00 0.00 C ATOM 529 NZ LYS A 32 -12.710 11.853 7.254 1.00 0.00 N ATOM 0 H LYS A 32 -9.883 7.617 7.945 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.728 10.227 9.112 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.214 7.694 9.595 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.029 8.777 10.960 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -13.064 9.430 9.850 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.882 10.673 9.492 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.424 9.435 7.287 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -12.827 8.447 7.646 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -13.493 10.238 6.157 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -14.246 10.492 7.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -13.256 12.490 6.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -12.744 12.203 8.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -11.722 11.823 6.931 1.00 0.00 H new ATOM 543 N LYS A 33 -8.081 7.773 10.597 1.00 0.00 N ATOM 544 CA LYS A 33 -7.033 7.511 11.572 1.00 0.00 C ATOM 545 C LYS A 33 -5.740 8.212 11.169 1.00 0.00 C ATOM 546 O LYS A 33 -5.083 8.785 12.028 1.00 0.00 O ATOM 547 CB LYS A 33 -6.842 5.997 11.754 1.00 0.00 C ATOM 548 CG LYS A 33 -6.486 5.667 13.210 1.00 0.00 C ATOM 549 CD LYS A 33 -7.743 5.611 14.082 1.00 0.00 C ATOM 550 CE LYS A 33 -7.340 5.422 15.542 1.00 0.00 C ATOM 551 NZ LYS A 33 -8.525 5.279 16.404 1.00 0.00 N ATOM 0 H LYS A 33 -8.420 6.941 10.114 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.331 7.920 12.537 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -7.755 5.473 11.470 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -6.052 5.643 11.092 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.966 4.710 13.253 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.801 6.420 13.600 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -8.319 6.529 13.968 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -8.385 4.791 13.761 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.709 4.539 15.637 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.747 6.275 15.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -8.223 5.152 17.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -9.114 6.133 16.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -9.077 4.451 16.101 1.00 0.00 H new ATOM 565 N ALA A 34 -5.392 8.198 9.882 1.00 0.00 N ATOM 566 CA ALA A 34 -4.205 8.834 9.336 1.00 0.00 C ATOM 567 C ALA A 34 -4.275 10.338 9.596 1.00 0.00 C ATOM 568 O ALA A 34 -3.362 10.913 10.188 1.00 0.00 O ATOM 569 CB ALA A 34 -4.124 8.525 7.833 1.00 0.00 C ATOM 0 H ALA A 34 -5.951 7.726 9.171 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.305 8.450 9.816 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.237 8.997 7.412 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.065 7.447 7.686 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.012 8.912 7.334 1.00 0.00 H new ATOM 575 N GLU A 35 -5.382 10.965 9.185 1.00 0.00 N ATOM 576 CA GLU A 35 -5.588 12.394 9.348 1.00 0.00 C ATOM 577 C GLU A 35 -5.498 12.800 10.817 1.00 0.00 C ATOM 578 O GLU A 35 -4.852 13.798 11.135 1.00 0.00 O ATOM 579 CB GLU A 35 -6.927 12.804 8.723 1.00 0.00 C ATOM 580 CG GLU A 35 -7.112 14.328 8.695 1.00 0.00 C ATOM 581 CD GLU A 35 -8.247 14.719 7.753 1.00 0.00 C ATOM 582 OE1 GLU A 35 -9.431 14.409 8.023 1.00 0.00 O ATOM 583 OE2 GLU A 35 -7.972 15.305 6.679 1.00 0.00 O ATOM 0 H GLU A 35 -6.159 10.487 8.729 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.793 12.926 8.825 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.986 12.414 7.707 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.743 12.351 9.286 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.326 14.691 9.700 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.186 14.805 8.374 1.00 0.00 H new ATOM 590 N ASP A 36 -6.124 12.031 11.707 1.00 0.00 N ATOM 591 CA ASP A 36 -6.125 12.300 13.138 1.00 0.00 C ATOM 592 C ASP A 36 -4.718 12.114 13.703 1.00 0.00 C ATOM 593 O ASP A 36 -4.257 12.915 14.509 1.00 0.00 O ATOM 594 CB ASP A 36 -7.139 11.378 13.825 1.00 0.00 C ATOM 595 CG ASP A 36 -7.293 11.651 15.322 1.00 0.00 C ATOM 596 OD1 ASP A 36 -7.194 12.826 15.749 1.00 0.00 O ATOM 597 OD2 ASP A 36 -7.613 10.687 16.050 1.00 0.00 O ATOM 0 H ASP A 36 -6.649 11.196 11.449 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.421 13.332 13.325 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.109 11.492 13.341 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.832 10.342 13.682 1.00 0.00 H new ATOM 602 N SER A 37 -3.995 11.094 13.238 1.00 0.00 N ATOM 603 CA SER A 37 -2.643 10.783 13.663 1.00 0.00 C ATOM 604 C SER A 37 -1.646 11.803 13.110 1.00 0.00 C ATOM 605 O SER A 37 -0.478 11.769 13.509 1.00 0.00 O ATOM 606 CB SER A 37 -2.276 9.363 13.203 1.00 0.00 C ATOM 607 OG SER A 37 -1.023 8.940 13.710 1.00 0.00 O ATOM 0 H SER A 37 -4.351 10.447 12.535 1.00 0.00 H new ATOM 0 HA SER A 37 -2.596 10.832 14.751 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.050 8.667 13.527 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.254 9.331 12.114 1.00 0.00 H new ATOM 0 HG SER A 37 -0.478 9.724 13.931 1.00 0.00 H new ATOM 613 N GLY A 38 -2.055 12.694 12.201 1.00 0.00 N ATOM 614 CA GLY A 38 -1.162 13.683 11.631 1.00 0.00 C ATOM 615 C GLY A 38 -0.062 13.033 10.789 1.00 0.00 C ATOM 616 O GLY A 38 1.054 13.547 10.734 1.00 0.00 O ATOM 0 H GLY A 38 -3.011 12.742 11.847 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -1.733 14.375 11.012 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.710 14.269 12.431 1.00 0.00 H new ATOM 620 N LEU A 39 -0.355 11.878 10.186 1.00 0.00 N ATOM 621 CA LEU A 39 0.511 11.081 9.338 1.00 0.00 C ATOM 622 C LEU A 39 -0.362 10.742 8.147 1.00 0.00 C ATOM 623 O LEU A 39 -1.378 10.077 8.335 1.00 0.00 O ATOM 624 CB LEU A 39 0.932 9.774 10.038 1.00 0.00 C ATOM 625 CG LEU A 39 1.906 9.922 11.216 1.00 0.00 C ATOM 626 CD1 LEU A 39 2.172 8.530 11.796 1.00 0.00 C ATOM 627 CD2 LEU A 39 3.231 10.559 10.792 1.00 0.00 C ATOM 0 H LEU A 39 -1.275 11.451 10.291 1.00 0.00 H new ATOM 0 HA LEU A 39 1.427 11.613 9.081 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.033 9.272 10.397 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.388 9.119 9.296 1.00 0.00 H new ATOM 0 HG LEU A 39 1.454 10.579 11.959 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.863 8.611 12.635 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.234 8.093 12.139 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.609 7.893 11.027 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.888 10.643 11.658 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.708 9.937 10.034 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.043 11.551 10.381 1.00 0.00 H new ATOM 639 N THR A 40 -0.032 11.209 6.943 1.00 0.00 N ATOM 640 CA THR A 40 -0.856 10.902 5.776 1.00 0.00 C ATOM 641 C THR A 40 -0.980 9.382 5.600 1.00 0.00 C ATOM 642 O THR A 40 -0.158 8.624 6.108 1.00 0.00 O ATOM 643 CB THR A 40 -0.325 11.632 4.537 1.00 0.00 C ATOM 644 OG1 THR A 40 -1.232 11.450 3.470 1.00 0.00 O ATOM 645 CG2 THR A 40 1.046 11.128 4.096 1.00 0.00 C ATOM 0 H THR A 40 0.784 11.790 6.752 1.00 0.00 H new ATOM 0 HA THR A 40 -1.870 11.273 5.928 1.00 0.00 H new ATOM 0 HB THR A 40 -0.224 12.684 4.803 1.00 0.00 H new ATOM 0 HG1 THR A 40 -0.899 11.916 2.675 1.00 0.00 H new ATOM 0 HG21 THR A 40 1.371 11.681 3.215 1.00 0.00 H new ATOM 0 HG22 THR A 40 1.764 11.275 4.902 1.00 0.00 H new ATOM 0 HG23 THR A 40 0.983 10.067 3.855 1.00 0.00 H new ATOM 653 N VAL A 41 -1.975 8.926 4.836 1.00 0.00 N ATOM 654 CA VAL A 41 -2.277 7.529 4.565 1.00 0.00 C ATOM 655 C VAL A 41 -1.011 6.731 4.253 1.00 0.00 C ATOM 656 O VAL A 41 -0.841 5.652 4.809 1.00 0.00 O ATOM 657 CB VAL A 41 -3.361 7.437 3.468 1.00 0.00 C ATOM 658 CG1 VAL A 41 -3.663 5.987 3.066 1.00 0.00 C ATOM 659 CG2 VAL A 41 -4.670 8.092 3.944 1.00 0.00 C ATOM 0 H VAL A 41 -2.623 9.559 4.367 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.688 7.063 5.461 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.965 7.964 2.600 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.431 5.976 2.293 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.756 5.519 2.683 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.017 5.434 3.936 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.421 8.017 3.158 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.028 7.581 4.838 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.489 9.142 4.174 1.00 0.00 H new ATOM 669 N SER A 42 -0.099 7.218 3.410 1.00 0.00 N ATOM 670 CA SER A 42 1.104 6.451 3.113 1.00 0.00 C ATOM 671 C SER A 42 1.990 6.263 4.354 1.00 0.00 C ATOM 672 O SER A 42 2.454 5.146 4.613 1.00 0.00 O ATOM 673 CB SER A 42 1.858 7.073 1.938 1.00 0.00 C ATOM 674 OG SER A 42 1.811 8.484 1.968 1.00 0.00 O ATOM 0 H SER A 42 -0.169 8.117 2.933 1.00 0.00 H new ATOM 0 HA SER A 42 0.802 5.448 2.813 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.897 6.744 1.959 1.00 0.00 H new ATOM 0 HB3 SER A 42 1.429 6.716 1.002 1.00 0.00 H new ATOM 0 HG SER A 42 2.305 8.844 1.202 1.00 0.00 H new ATOM 680 N ALA A 43 2.242 7.345 5.098 1.00 0.00 N ATOM 681 CA ALA A 43 3.037 7.338 6.317 1.00 0.00 C ATOM 682 C ALA A 43 2.359 6.447 7.352 1.00 0.00 C ATOM 683 O ALA A 43 3.037 5.651 7.985 1.00 0.00 O ATOM 684 CB ALA A 43 3.194 8.751 6.881 1.00 0.00 C ATOM 0 H ALA A 43 1.887 8.270 4.858 1.00 0.00 H new ATOM 0 HA ALA A 43 4.030 6.953 6.082 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.792 8.715 7.791 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.691 9.383 6.145 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.211 9.163 7.109 1.00 0.00 H new ATOM 690 N TYR A 44 1.040 6.558 7.511 1.00 0.00 N ATOM 691 CA TYR A 44 0.235 5.777 8.434 1.00 0.00 C ATOM 692 C TYR A 44 0.390 4.293 8.090 1.00 0.00 C ATOM 693 O TYR A 44 0.735 3.498 8.956 1.00 0.00 O ATOM 694 CB TYR A 44 -1.217 6.259 8.361 1.00 0.00 C ATOM 695 CG TYR A 44 -2.158 5.479 9.252 1.00 0.00 C ATOM 696 CD1 TYR A 44 -2.785 4.323 8.751 1.00 0.00 C ATOM 697 CD2 TYR A 44 -2.401 5.896 10.575 1.00 0.00 C ATOM 698 CE1 TYR A 44 -3.664 3.587 9.562 1.00 0.00 C ATOM 699 CE2 TYR A 44 -3.264 5.151 11.397 1.00 0.00 C ATOM 700 CZ TYR A 44 -3.890 3.989 10.893 1.00 0.00 C ATOM 701 OH TYR A 44 -4.718 3.266 11.685 1.00 0.00 O ATOM 0 H TYR A 44 0.485 7.225 6.974 1.00 0.00 H new ATOM 0 HA TYR A 44 0.567 5.909 9.464 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.256 7.312 8.639 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.563 6.188 7.330 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -2.589 4.001 7.739 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -1.925 6.787 10.957 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -4.165 2.716 9.167 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -3.448 5.467 12.413 1.00 0.00 H new ATOM 0 HH TYR A 44 -4.882 2.391 11.275 1.00 0.00 H new ATOM 711 N ILE A 45 0.198 3.922 6.818 1.00 0.00 N ATOM 712 CA ILE A 45 0.315 2.550 6.332 1.00 0.00 C ATOM 713 C ILE A 45 1.687 1.980 6.689 1.00 0.00 C ATOM 714 O ILE A 45 1.766 0.963 7.370 1.00 0.00 O ATOM 715 CB ILE A 45 0.038 2.492 4.804 1.00 0.00 C ATOM 716 CG1 ILE A 45 -1.461 2.605 4.449 1.00 0.00 C ATOM 717 CG2 ILE A 45 0.629 1.233 4.139 1.00 0.00 C ATOM 718 CD1 ILE A 45 -2.323 1.457 4.956 1.00 0.00 C ATOM 0 H ILE A 45 -0.049 4.586 6.084 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.435 1.929 6.821 1.00 0.00 H new ATOM 0 HB ILE A 45 0.546 3.369 4.404 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.848 3.539 4.857 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.560 2.665 3.365 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.405 1.246 3.072 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.709 1.219 4.283 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.191 0.343 4.591 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.359 1.622 4.660 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -1.968 0.519 4.529 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -2.260 1.407 6.043 1.00 0.00 H new ATOM 730 N ARG A 46 2.772 2.596 6.205 1.00 0.00 N ATOM 731 CA ARG A 46 4.113 2.098 6.490 1.00 0.00 C ATOM 732 C ARG A 46 4.373 2.092 7.997 1.00 0.00 C ATOM 733 O ARG A 46 4.876 1.099 8.494 1.00 0.00 O ATOM 734 CB ARG A 46 5.187 2.811 5.641 1.00 0.00 C ATOM 735 CG ARG A 46 5.652 4.176 6.168 1.00 0.00 C ATOM 736 CD ARG A 46 6.442 4.987 5.131 1.00 0.00 C ATOM 737 NE ARG A 46 7.248 6.032 5.770 1.00 0.00 N ATOM 738 CZ ARG A 46 8.054 6.922 5.182 1.00 0.00 C ATOM 739 NH1 ARG A 46 8.127 7.043 3.857 1.00 0.00 N ATOM 740 NH2 ARG A 46 8.793 7.711 5.944 1.00 0.00 N ATOM 0 H ARG A 46 2.744 3.431 5.620 1.00 0.00 H new ATOM 0 HA ARG A 46 4.183 1.056 6.177 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.055 2.157 5.563 1.00 0.00 H new ATOM 0 HB3 ARG A 46 4.797 2.945 4.632 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.782 4.752 6.484 1.00 0.00 H new ATOM 0 HG3 ARG A 46 6.273 4.025 7.051 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.091 4.320 4.564 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.752 5.441 4.420 1.00 0.00 H new ATOM 0 HE ARG A 46 7.186 6.087 6.787 1.00 0.00 H new ATOM 0 HH11 ARG A 46 7.557 6.446 3.258 1.00 0.00 H new ATOM 0 HH12 ARG A 46 8.753 7.733 3.442 1.00 0.00 H new ATOM 0 HH21 ARG A 46 8.741 7.633 6.960 1.00 0.00 H new ATOM 0 HH22 ARG A 46 9.415 8.397 5.516 1.00 0.00 H new ATOM 754 N ASN A 47 4.017 3.153 8.728 1.00 0.00 N ATOM 755 CA ASN A 47 4.215 3.254 10.173 1.00 0.00 C ATOM 756 C ASN A 47 3.601 2.051 10.869 1.00 0.00 C ATOM 757 O ASN A 47 4.321 1.337 11.559 1.00 0.00 O ATOM 758 CB ASN A 47 3.624 4.559 10.731 1.00 0.00 C ATOM 759 CG ASN A 47 3.595 4.565 12.254 1.00 0.00 C ATOM 760 OD1 ASN A 47 4.634 4.553 12.902 1.00 0.00 O ATOM 761 ND2 ASN A 47 2.418 4.589 12.851 1.00 0.00 N ATOM 0 H ASN A 47 3.576 3.979 8.323 1.00 0.00 H new ATOM 0 HA ASN A 47 5.287 3.268 10.367 1.00 0.00 H new ATOM 0 HB2 ASN A 47 4.213 5.405 10.376 1.00 0.00 H new ATOM 0 HB3 ASN A 47 2.612 4.692 10.348 1.00 0.00 H new ATOM 0 HD21 ASN A 47 2.363 4.598 13.869 1.00 0.00 H new ATOM 0 HD22 ASN A 47 1.564 4.599 12.294 1.00 0.00 H new ATOM 768 N ALA A 48 2.306 1.816 10.659 1.00 0.00 N ATOM 769 CA ALA A 48 1.570 0.712 11.252 1.00 0.00 C ATOM 770 C ALA A 48 2.127 -0.648 10.830 1.00 0.00 C ATOM 771 O ALA A 48 2.079 -1.596 11.609 1.00 0.00 O ATOM 772 CB ALA A 48 0.104 0.822 10.830 1.00 0.00 C ATOM 0 H ALA A 48 1.731 2.405 10.057 1.00 0.00 H new ATOM 0 HA ALA A 48 1.669 0.777 12.336 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.463 0.000 11.267 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -0.305 1.770 11.178 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.034 0.774 9.743 1.00 0.00 H new ATOM 778 N ALA A 49 2.642 -0.753 9.604 1.00 0.00 N ATOM 779 CA ALA A 49 3.198 -1.989 9.070 1.00 0.00 C ATOM 780 C ALA A 49 4.584 -2.317 9.644 1.00 0.00 C ATOM 781 O ALA A 49 4.997 -3.473 9.618 1.00 0.00 O ATOM 782 CB ALA A 49 3.288 -1.875 7.547 1.00 0.00 C ATOM 0 H ALA A 49 2.683 0.028 8.950 1.00 0.00 H new ATOM 0 HA ALA A 49 2.534 -2.802 9.362 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.703 -2.796 7.137 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.292 -1.711 7.135 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.933 -1.037 7.282 1.00 0.00 H new ATOM 788 N LEU A 50 5.332 -1.321 10.115 1.00 0.00 N ATOM 789 CA LEU A 50 6.673 -1.509 10.674 1.00 0.00 C ATOM 790 C LEU A 50 6.637 -1.557 12.193 1.00 0.00 C ATOM 791 O LEU A 50 7.516 -2.172 12.799 1.00 0.00 O ATOM 792 CB LEU A 50 7.564 -0.329 10.282 1.00 0.00 C ATOM 793 CG LEU A 50 7.712 -0.142 8.765 1.00 0.00 C ATOM 794 CD1 LEU A 50 8.027 1.333 8.511 1.00 0.00 C ATOM 795 CD2 LEU A 50 8.760 -1.086 8.180 1.00 0.00 C ATOM 0 H LEU A 50 5.022 -0.349 10.120 1.00 0.00 H new ATOM 0 HA LEU A 50 7.059 -2.450 10.282 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.153 0.584 10.713 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.552 -0.471 10.719 1.00 0.00 H new ATOM 0 HG LEU A 50 6.785 -0.403 8.254 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.139 1.502 7.440 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.213 1.950 8.893 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.954 1.600 9.019 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.836 -0.924 7.105 1.00 0.00 H new ATOM 0 HD22 LEU A 50 9.726 -0.891 8.646 1.00 0.00 H new ATOM 0 HD23 LEU A 50 8.467 -2.118 8.371 1.00 0.00 H new ATOM 807 N ASN A 51 5.660 -0.866 12.776 1.00 0.00 N ATOM 808 CA ASN A 51 5.411 -0.749 14.209 1.00 0.00 C ATOM 809 C ASN A 51 4.163 -1.536 14.542 1.00 0.00 C ATOM 810 O ASN A 51 4.236 -2.771 14.419 1.00 0.00 O ATOM 811 CB ASN A 51 5.294 0.717 14.642 1.00 0.00 C ATOM 812 CG ASN A 51 6.582 1.455 14.381 1.00 0.00 C ATOM 813 OD1 ASN A 51 7.477 1.480 15.223 1.00 0.00 O ATOM 814 ND2 ASN A 51 6.721 2.024 13.197 1.00 0.00 N ATOM 0 H ASN A 51 4.980 -0.341 12.226 1.00 0.00 H new ATOM 0 HA ASN A 51 6.255 -1.160 14.763 1.00 0.00 H new ATOM 0 HB2 ASN A 51 4.478 1.197 14.101 1.00 0.00 H new ATOM 0 HB3 ASN A 51 5.048 0.769 15.703 1.00 0.00 H new ATOM 0 HD21 ASN A 51 7.590 2.502 12.960 1.00 0.00 H new ATOM 0 HD22 ASN A 51 5.959 1.986 12.520 1.00 0.00 H new ATOM 1055 N THR B 15 -12.914 0.394 -4.599 1.00 0.00 N ATOM 1056 CA THR B 15 -11.605 0.109 -4.065 1.00 0.00 C ATOM 1057 C THR B 15 -10.691 1.304 -4.334 1.00 0.00 C ATOM 1058 O THR B 15 -10.984 2.171 -5.165 1.00 0.00 O ATOM 1059 CB THR B 15 -11.088 -1.184 -4.712 1.00 0.00 C ATOM 1060 OG1 THR B 15 -10.035 -1.773 -3.972 1.00 0.00 O ATOM 1061 CG2 THR B 15 -10.611 -1.007 -6.159 1.00 0.00 C ATOM 0 HA THR B 15 -11.635 -0.044 -2.986 1.00 0.00 H new ATOM 0 HB THR B 15 -11.958 -1.840 -4.713 1.00 0.00 H new ATOM 0 HG1 THR B 15 -10.039 -1.419 -3.058 1.00 0.00 H new ATOM 0 HG21 THR B 15 -10.261 -1.964 -6.546 1.00 0.00 H new ATOM 0 HG22 THR B 15 -11.437 -0.647 -6.773 1.00 0.00 H new ATOM 0 HG23 THR B 15 -9.796 -0.284 -6.188 1.00 0.00 H new ATOM 1069 N VAL B 16 -9.558 1.316 -3.648 1.00 0.00 N ATOM 1070 CA VAL B 16 -8.551 2.348 -3.785 1.00 0.00 C ATOM 1071 C VAL B 16 -7.438 1.692 -4.573 1.00 0.00 C ATOM 1072 O VAL B 16 -6.922 0.662 -4.137 1.00 0.00 O ATOM 1073 CB VAL B 16 -8.033 2.827 -2.423 1.00 0.00 C ATOM 1074 CG1 VAL B 16 -7.128 4.051 -2.610 1.00 0.00 C ATOM 1075 CG2 VAL B 16 -9.186 3.184 -1.491 1.00 0.00 C ATOM 0 H VAL B 16 -9.312 0.595 -2.970 1.00 0.00 H new ATOM 0 HA VAL B 16 -8.953 3.234 -4.276 1.00 0.00 H new ATOM 0 HB VAL B 16 -7.464 2.014 -1.973 1.00 0.00 H new ATOM 0 HG11 VAL B 16 -6.764 4.386 -1.639 1.00 0.00 H new ATOM 0 HG12 VAL B 16 -6.282 3.784 -3.243 1.00 0.00 H new ATOM 0 HG13 VAL B 16 -7.695 4.854 -3.081 1.00 0.00 H new ATOM 0 HG21 VAL B 16 -8.789 3.520 -0.533 1.00 0.00 H new ATOM 0 HG22 VAL B 16 -9.781 3.981 -1.937 1.00 0.00 H new ATOM 0 HG23 VAL B 16 -9.813 2.306 -1.336 1.00 0.00 H new ATOM 1085 N VAL B 17 -7.102 2.231 -5.736 1.00 0.00 N ATOM 1086 CA VAL B 17 -6.034 1.698 -6.554 1.00 0.00 C ATOM 1087 C VAL B 17 -4.964 2.776 -6.611 1.00 0.00 C ATOM 1088 O VAL B 17 -4.987 3.706 -7.422 1.00 0.00 O ATOM 1089 CB VAL B 17 -6.543 1.116 -7.878 1.00 0.00 C ATOM 1090 CG1 VAL B 17 -6.990 2.154 -8.898 1.00 0.00 C ATOM 1091 CG2 VAL B 17 -5.417 0.266 -8.456 1.00 0.00 C ATOM 0 H VAL B 17 -7.564 3.048 -6.134 1.00 0.00 H new ATOM 0 HA VAL B 17 -5.568 0.810 -6.127 1.00 0.00 H new ATOM 0 HB VAL B 17 -7.440 0.534 -7.664 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -7.334 1.651 -9.802 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -7.804 2.747 -8.481 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -6.153 2.808 -9.142 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -5.738 -0.169 -9.402 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -4.539 0.890 -8.623 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -5.167 -0.532 -7.756 1.00 0.00 H new ATOM 1101 N ARG B 18 -4.050 2.687 -5.654 1.00 0.00 N ATOM 1102 CA ARG B 18 -2.947 3.626 -5.536 1.00 0.00 C ATOM 1103 C ARG B 18 -1.637 2.880 -5.705 1.00 0.00 C ATOM 1104 O ARG B 18 -1.564 1.654 -5.562 1.00 0.00 O ATOM 1105 CB ARG B 18 -3.044 4.429 -4.222 1.00 0.00 C ATOM 1106 CG ARG B 18 -2.777 5.924 -4.447 1.00 0.00 C ATOM 1107 CD ARG B 18 -2.965 6.743 -3.163 1.00 0.00 C ATOM 1108 NE ARG B 18 -3.406 8.118 -3.449 1.00 0.00 N ATOM 1109 CZ ARG B 18 -2.862 9.283 -3.071 1.00 0.00 C ATOM 1110 NH1 ARG B 18 -1.766 9.349 -2.319 1.00 0.00 N ATOM 1111 NH2 ARG B 18 -3.436 10.414 -3.457 1.00 0.00 N ATOM 0 H ARG B 18 -4.054 1.961 -4.938 1.00 0.00 H new ATOM 0 HA ARG B 18 -2.997 4.370 -6.331 1.00 0.00 H new ATOM 0 HB2 ARG B 18 -4.035 4.298 -3.788 1.00 0.00 H new ATOM 0 HB3 ARG B 18 -2.326 4.036 -3.502 1.00 0.00 H new ATOM 0 HG2 ARG B 18 -1.761 6.059 -4.817 1.00 0.00 H new ATOM 0 HG3 ARG B 18 -3.449 6.300 -5.218 1.00 0.00 H new ATOM 0 HD2 ARG B 18 -3.698 6.252 -2.523 1.00 0.00 H new ATOM 0 HD3 ARG B 18 -2.027 6.770 -2.609 1.00 0.00 H new ATOM 0 HE ARG B 18 -4.249 8.195 -4.018 1.00 0.00 H new ATOM 0 HH11 ARG B 18 -1.308 8.492 -2.009 1.00 0.00 H new ATOM 0 HH12 ARG B 18 -1.384 10.257 -2.053 1.00 0.00 H new ATOM 0 HH21 ARG B 18 -4.278 10.388 -4.032 1.00 0.00 H new ATOM 0 HH22 ARG B 18 -3.036 11.310 -3.179 1.00 0.00 H new ATOM 1125 N THR B 19 -0.590 3.636 -5.998 1.00 0.00 N ATOM 1126 CA THR B 19 0.748 3.122 -6.207 1.00 0.00 C ATOM 1127 C THR B 19 1.518 3.489 -4.943 1.00 0.00 C ATOM 1128 O THR B 19 2.074 4.584 -4.808 1.00 0.00 O ATOM 1129 CB THR B 19 1.295 3.736 -7.491 1.00 0.00 C ATOM 1130 OG1 THR B 19 0.437 3.491 -8.590 1.00 0.00 O ATOM 1131 CG2 THR B 19 2.647 3.146 -7.862 1.00 0.00 C ATOM 0 H THR B 19 -0.653 4.649 -6.099 1.00 0.00 H new ATOM 0 HA THR B 19 0.813 2.043 -6.349 1.00 0.00 H new ATOM 0 HB THR B 19 1.379 4.805 -7.293 1.00 0.00 H new ATOM 0 HG1 THR B 19 0.815 3.899 -9.397 1.00 0.00 H new ATOM 0 HG21 THR B 19 3.005 3.608 -8.782 1.00 0.00 H new ATOM 0 HG22 THR B 19 3.360 3.336 -7.059 1.00 0.00 H new ATOM 0 HG23 THR B 19 2.546 2.071 -8.011 1.00 0.00 H new ATOM 1139 N LEU B 20 1.452 2.590 -3.973 1.00 0.00 N ATOM 1140 CA LEU B 20 2.071 2.713 -2.656 1.00 0.00 C ATOM 1141 C LEU B 20 3.482 2.118 -2.658 1.00 0.00 C ATOM 1142 O LEU B 20 3.632 0.900 -2.727 1.00 0.00 O ATOM 1143 CB LEU B 20 1.159 2.034 -1.610 1.00 0.00 C ATOM 1144 CG LEU B 20 1.206 2.634 -0.191 1.00 0.00 C ATOM 1145 CD1 LEU B 20 2.604 2.734 0.418 1.00 0.00 C ATOM 1146 CD2 LEU B 20 0.568 4.026 -0.143 1.00 0.00 C ATOM 0 H LEU B 20 0.943 1.713 -4.085 1.00 0.00 H new ATOM 0 HA LEU B 20 2.178 3.766 -2.395 1.00 0.00 H new ATOM 0 HB2 LEU B 20 0.131 2.078 -1.969 1.00 0.00 H new ATOM 0 HB3 LEU B 20 1.431 0.980 -1.548 1.00 0.00 H new ATOM 0 HG LEU B 20 0.636 1.922 0.406 1.00 0.00 H new ATOM 0 HD11 LEU B 20 2.536 3.167 1.416 1.00 0.00 H new ATOM 0 HD12 LEU B 20 3.044 1.739 0.484 1.00 0.00 H new ATOM 0 HD13 LEU B 20 3.230 3.367 -0.211 1.00 0.00 H new ATOM 0 HD21 LEU B 20 0.621 4.415 0.874 1.00 0.00 H new ATOM 0 HD22 LEU B 20 1.104 4.695 -0.816 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -0.475 3.959 -0.452 1.00 0.00 H new ATOM 1158 N ARG B 21 4.512 2.966 -2.647 1.00 0.00 N ATOM 1159 CA ARG B 21 5.903 2.541 -2.623 1.00 0.00 C ATOM 1160 C ARG B 21 6.364 2.209 -1.205 1.00 0.00 C ATOM 1161 O ARG B 21 5.861 2.783 -0.237 1.00 0.00 O ATOM 1162 CB ARG B 21 6.793 3.673 -3.176 1.00 0.00 C ATOM 1163 CG ARG B 21 6.953 3.600 -4.696 1.00 0.00 C ATOM 1164 CD ARG B 21 5.793 4.161 -5.506 1.00 0.00 C ATOM 1165 NE ARG B 21 5.871 5.632 -5.590 1.00 0.00 N ATOM 1166 CZ ARG B 21 5.031 6.474 -6.203 1.00 0.00 C ATOM 1167 NH1 ARG B 21 3.923 6.038 -6.793 1.00 0.00 N ATOM 1168 NH2 ARG B 21 5.291 7.773 -6.196 1.00 0.00 N ATOM 0 H ARG B 21 4.397 3.979 -2.655 1.00 0.00 H new ATOM 0 HA ARG B 21 5.989 1.644 -3.237 1.00 0.00 H new ATOM 0 HB2 ARG B 21 6.361 4.636 -2.905 1.00 0.00 H new ATOM 0 HB3 ARG B 21 7.776 3.621 -2.707 1.00 0.00 H new ATOM 0 HG2 ARG B 21 7.860 4.136 -4.974 1.00 0.00 H new ATOM 0 HG3 ARG B 21 7.100 2.558 -4.978 1.00 0.00 H new ATOM 0 HD2 ARG B 21 5.805 3.735 -6.509 1.00 0.00 H new ATOM 0 HD3 ARG B 21 4.849 3.869 -5.047 1.00 0.00 H new ATOM 0 HE ARG B 21 6.668 6.062 -5.120 1.00 0.00 H new ATOM 0 HH11 ARG B 21 3.698 5.043 -6.785 1.00 0.00 H new ATOM 0 HH12 ARG B 21 3.297 6.698 -7.254 1.00 0.00 H new ATOM 0 HH21 ARG B 21 6.126 8.124 -5.726 1.00 0.00 H new ATOM 0 HH22 ARG B 21 4.657 8.423 -6.661 1.00 0.00 H new ATOM 1182 N PHE B 22 7.367 1.341 -1.097 1.00 0.00 N ATOM 1183 CA PHE B 22 7.990 0.911 0.151 1.00 0.00 C ATOM 1184 C PHE B 22 9.484 0.866 -0.103 1.00 0.00 C ATOM 1185 O PHE B 22 9.897 0.523 -1.212 1.00 0.00 O ATOM 1186 CB PHE B 22 7.479 -0.455 0.620 1.00 0.00 C ATOM 1187 CG PHE B 22 6.056 -0.423 1.131 1.00 0.00 C ATOM 1188 CD1 PHE B 22 5.787 -0.083 2.471 1.00 0.00 C ATOM 1189 CD2 PHE B 22 4.995 -0.742 0.266 1.00 0.00 C ATOM 1190 CE1 PHE B 22 4.463 -0.060 2.938 1.00 0.00 C ATOM 1191 CE2 PHE B 22 3.673 -0.725 0.735 1.00 0.00 C ATOM 1192 CZ PHE B 22 3.404 -0.369 2.070 1.00 0.00 C ATOM 0 H PHE B 22 7.786 0.898 -1.915 1.00 0.00 H new ATOM 0 HA PHE B 22 7.739 1.609 0.949 1.00 0.00 H new ATOM 0 HB2 PHE B 22 7.544 -1.162 -0.207 1.00 0.00 H new ATOM 0 HB3 PHE B 22 8.132 -0.827 1.409 1.00 0.00 H new ATOM 0 HD1 PHE B 22 6.599 0.160 3.140 1.00 0.00 H new ATOM 0 HD2 PHE B 22 5.198 -1.001 -0.763 1.00 0.00 H new ATOM 0 HE1 PHE B 22 4.259 0.196 3.967 1.00 0.00 H new ATOM 0 HE2 PHE B 22 2.861 -0.985 0.072 1.00 0.00 H new ATOM 0 HZ PHE B 22 2.385 -0.334 2.426 1.00 0.00 H new ATOM 1202 N SER B 23 10.281 1.269 0.879 1.00 0.00 N ATOM 1203 CA SER B 23 11.735 1.272 0.775 1.00 0.00 C ATOM 1204 C SER B 23 12.251 -0.178 0.809 1.00 0.00 C ATOM 1205 O SER B 23 11.502 -1.069 1.208 1.00 0.00 O ATOM 1206 CB SER B 23 12.287 2.138 1.921 1.00 0.00 C ATOM 1207 OG SER B 23 11.638 3.399 1.959 1.00 0.00 O ATOM 0 H SER B 23 9.934 1.606 1.777 1.00 0.00 H new ATOM 0 HA SER B 23 12.076 1.701 -0.167 1.00 0.00 H new ATOM 0 HB2 SER B 23 12.147 1.623 2.872 1.00 0.00 H new ATOM 0 HB3 SER B 23 13.360 2.280 1.791 1.00 0.00 H new ATOM 0 HG SER B 23 11.291 3.561 2.861 1.00 0.00 H new ATOM 1213 N PRO B 24 13.519 -0.454 0.444 1.00 0.00 N ATOM 1214 CA PRO B 24 14.035 -1.822 0.453 1.00 0.00 C ATOM 1215 C PRO B 24 14.020 -2.409 1.868 1.00 0.00 C ATOM 1216 O PRO B 24 13.678 -3.577 2.048 1.00 0.00 O ATOM 1217 CB PRO B 24 15.436 -1.746 -0.162 1.00 0.00 C ATOM 1218 CG PRO B 24 15.851 -0.289 0.026 1.00 0.00 C ATOM 1219 CD PRO B 24 14.530 0.473 -0.038 1.00 0.00 C ATOM 0 HA PRO B 24 13.412 -2.501 -0.129 1.00 0.00 H new ATOM 0 HB2 PRO B 24 16.127 -2.424 0.338 1.00 0.00 H new ATOM 0 HB3 PRO B 24 15.423 -2.023 -1.216 1.00 0.00 H new ATOM 0 HG2 PRO B 24 16.356 -0.136 0.980 1.00 0.00 H new ATOM 0 HG3 PRO B 24 16.539 0.036 -0.755 1.00 0.00 H new ATOM 0 HD2 PRO B 24 14.565 1.370 0.580 1.00 0.00 H new ATOM 0 HD3 PRO B 24 14.312 0.795 -1.056 1.00 0.00 H new ATOM 1227 N VAL B 25 14.345 -1.576 2.861 1.00 0.00 N ATOM 1228 CA VAL B 25 14.375 -1.945 4.267 1.00 0.00 C ATOM 1229 C VAL B 25 12.957 -2.282 4.733 1.00 0.00 C ATOM 1230 O VAL B 25 12.750 -3.325 5.346 1.00 0.00 O ATOM 1231 CB VAL B 25 15.012 -0.799 5.087 1.00 0.00 C ATOM 1232 CG1 VAL B 25 15.097 -1.144 6.580 1.00 0.00 C ATOM 1233 CG2 VAL B 25 16.426 -0.453 4.586 1.00 0.00 C ATOM 0 H VAL B 25 14.600 -0.602 2.698 1.00 0.00 H new ATOM 0 HA VAL B 25 14.989 -2.833 4.419 1.00 0.00 H new ATOM 0 HB VAL B 25 14.359 0.063 4.951 1.00 0.00 H new ATOM 0 HG11 VAL B 25 15.550 -0.313 7.120 1.00 0.00 H new ATOM 0 HG12 VAL B 25 14.095 -1.326 6.969 1.00 0.00 H new ATOM 0 HG13 VAL B 25 15.706 -2.038 6.713 1.00 0.00 H new ATOM 0 HG21 VAL B 25 16.838 0.357 5.189 1.00 0.00 H new ATOM 0 HG22 VAL B 25 17.067 -1.331 4.671 1.00 0.00 H new ATOM 0 HG23 VAL B 25 16.376 -0.140 3.543 1.00 0.00 H new ATOM 1243 N GLU B 26 11.996 -1.401 4.435 1.00 0.00 N ATOM 1244 CA GLU B 26 10.596 -1.562 4.807 1.00 0.00 C ATOM 1245 C GLU B 26 10.050 -2.851 4.209 1.00 0.00 C ATOM 1246 O GLU B 26 9.429 -3.637 4.910 1.00 0.00 O ATOM 1247 CB GLU B 26 9.766 -0.378 4.286 1.00 0.00 C ATOM 1248 CG GLU B 26 10.101 0.968 4.945 1.00 0.00 C ATOM 1249 CD GLU B 26 9.638 2.160 4.099 1.00 0.00 C ATOM 1250 OE1 GLU B 26 8.713 2.035 3.261 1.00 0.00 O ATOM 1251 OE2 GLU B 26 10.334 3.201 4.174 1.00 0.00 O ATOM 0 H GLU B 26 12.179 -0.541 3.918 1.00 0.00 H new ATOM 0 HA GLU B 26 10.528 -1.600 5.894 1.00 0.00 H new ATOM 0 HB2 GLU B 26 9.916 -0.290 3.210 1.00 0.00 H new ATOM 0 HB3 GLU B 26 8.709 -0.593 4.444 1.00 0.00 H new ATOM 0 HG2 GLU B 26 9.630 1.017 5.927 1.00 0.00 H new ATOM 0 HG3 GLU B 26 11.177 1.034 5.104 1.00 0.00 H new ATOM 1258 N ASP B 27 10.277 -3.054 2.914 1.00 0.00 N ATOM 1259 CA ASP B 27 9.833 -4.219 2.168 1.00 0.00 C ATOM 1260 C ASP B 27 10.405 -5.504 2.738 1.00 0.00 C ATOM 1261 O ASP B 27 9.705 -6.507 2.777 1.00 0.00 O ATOM 1262 CB ASP B 27 10.297 -4.053 0.726 1.00 0.00 C ATOM 1263 CG ASP B 27 10.026 -5.284 -0.138 1.00 0.00 C ATOM 1264 OD1 ASP B 27 8.861 -5.732 -0.240 1.00 0.00 O ATOM 1265 OD2 ASP B 27 10.976 -5.757 -0.808 1.00 0.00 O ATOM 0 H ASP B 27 10.793 -2.387 2.340 1.00 0.00 H new ATOM 0 HA ASP B 27 8.747 -4.290 2.231 1.00 0.00 H new ATOM 0 HB2 ASP B 27 9.795 -3.191 0.286 1.00 0.00 H new ATOM 0 HB3 ASP B 27 11.366 -3.839 0.717 1.00 0.00 H new ATOM 1270 N GLU B 28 11.667 -5.484 3.166 1.00 0.00 N ATOM 1271 CA GLU B 28 12.325 -6.645 3.740 1.00 0.00 C ATOM 1272 C GLU B 28 11.661 -6.993 5.070 1.00 0.00 C ATOM 1273 O GLU B 28 11.226 -8.127 5.255 1.00 0.00 O ATOM 1274 CB GLU B 28 13.822 -6.348 3.874 1.00 0.00 C ATOM 1275 CG GLU B 28 14.617 -7.563 4.348 1.00 0.00 C ATOM 1276 CD GLU B 28 16.036 -7.503 3.798 1.00 0.00 C ATOM 1277 OE1 GLU B 28 16.876 -6.725 4.318 1.00 0.00 O ATOM 1278 OE2 GLU B 28 16.313 -8.221 2.814 1.00 0.00 O ATOM 0 H GLU B 28 12.260 -4.655 3.122 1.00 0.00 H new ATOM 0 HA GLU B 28 12.223 -7.519 3.096 1.00 0.00 H new ATOM 0 HB2 GLU B 28 14.211 -6.016 2.912 1.00 0.00 H new ATOM 0 HB3 GLU B 28 13.965 -5.527 4.577 1.00 0.00 H new ATOM 0 HG2 GLU B 28 14.641 -7.590 5.437 1.00 0.00 H new ATOM 0 HG3 GLU B 28 14.128 -8.479 4.017 1.00 0.00 H new ATOM 1285 N THR B 29 11.558 -6.020 5.976 1.00 0.00 N ATOM 1286 CA THR B 29 10.943 -6.186 7.283 1.00 0.00 C ATOM 1287 C THR B 29 9.497 -6.664 7.125 1.00 0.00 C ATOM 1288 O THR B 29 9.107 -7.660 7.734 1.00 0.00 O ATOM 1289 CB THR B 29 11.058 -4.842 8.025 1.00 0.00 C ATOM 1290 OG1 THR B 29 12.430 -4.558 8.224 1.00 0.00 O ATOM 1291 CG2 THR B 29 10.342 -4.807 9.380 1.00 0.00 C ATOM 0 H THR B 29 11.909 -5.076 5.813 1.00 0.00 H new ATOM 0 HA THR B 29 11.449 -6.951 7.872 1.00 0.00 H new ATOM 0 HB THR B 29 10.566 -4.095 7.401 1.00 0.00 H new ATOM 0 HG1 THR B 29 12.790 -4.112 7.429 1.00 0.00 H new ATOM 0 HG21 THR B 29 10.473 -3.825 9.835 1.00 0.00 H new ATOM 0 HG22 THR B 29 9.279 -5.001 9.235 1.00 0.00 H new ATOM 0 HG23 THR B 29 10.764 -5.570 10.034 1.00 0.00 H new ATOM 1299 N ILE B 30 8.711 -5.982 6.291 1.00 0.00 N ATOM 1300 CA ILE B 30 7.319 -6.315 6.047 1.00 0.00 C ATOM 1301 C ILE B 30 7.232 -7.727 5.467 1.00 0.00 C ATOM 1302 O ILE B 30 6.366 -8.491 5.880 1.00 0.00 O ATOM 1303 CB ILE B 30 6.644 -5.218 5.195 1.00 0.00 C ATOM 1304 CG1 ILE B 30 6.506 -3.934 6.054 1.00 0.00 C ATOM 1305 CG2 ILE B 30 5.270 -5.706 4.701 1.00 0.00 C ATOM 1306 CD1 ILE B 30 6.163 -2.656 5.276 1.00 0.00 C ATOM 0 H ILE B 30 9.034 -5.172 5.762 1.00 0.00 H new ATOM 0 HA ILE B 30 6.752 -6.335 6.978 1.00 0.00 H new ATOM 0 HB ILE B 30 7.252 -4.995 4.318 1.00 0.00 H new ATOM 0 HG12 ILE B 30 5.733 -4.101 6.805 1.00 0.00 H new ATOM 0 HG13 ILE B 30 7.442 -3.773 6.590 1.00 0.00 H new ATOM 0 HG21 ILE B 30 4.801 -4.926 4.101 1.00 0.00 H new ATOM 0 HG22 ILE B 30 5.399 -6.602 4.094 1.00 0.00 H new ATOM 0 HG23 ILE B 30 4.636 -5.935 5.557 1.00 0.00 H new ATOM 0 HD11 ILE B 30 6.089 -1.817 5.968 1.00 0.00 H new ATOM 0 HD12 ILE B 30 6.945 -2.455 4.544 1.00 0.00 H new ATOM 0 HD13 ILE B 30 5.211 -2.787 4.762 1.00 0.00 H new ATOM 1318 N ARG B 31 8.101 -8.101 4.525 1.00 0.00 N ATOM 1319 CA ARG B 31 8.088 -9.438 3.937 1.00 0.00 C ATOM 1320 C ARG B 31 8.344 -10.485 5.008 1.00 0.00 C ATOM 1321 O ARG B 31 7.585 -11.446 5.082 1.00 0.00 O ATOM 1322 CB ARG B 31 9.117 -9.514 2.804 1.00 0.00 C ATOM 1323 CG ARG B 31 9.435 -10.936 2.319 1.00 0.00 C ATOM 1324 CD ARG B 31 10.268 -10.787 1.050 1.00 0.00 C ATOM 1325 NE ARG B 31 10.950 -12.017 0.642 1.00 0.00 N ATOM 1326 CZ ARG B 31 11.750 -12.113 -0.423 1.00 0.00 C ATOM 1327 NH1 ARG B 31 11.980 -11.053 -1.196 1.00 0.00 N ATOM 1328 NH2 ARG B 31 12.309 -13.280 -0.707 1.00 0.00 N ATOM 0 H ARG B 31 8.827 -7.489 4.152 1.00 0.00 H new ATOM 0 HA ARG B 31 7.106 -9.642 3.511 1.00 0.00 H new ATOM 0 HB2 ARG B 31 8.751 -8.930 1.959 1.00 0.00 H new ATOM 0 HB3 ARG B 31 10.042 -9.044 3.139 1.00 0.00 H new ATOM 0 HG2 ARG B 31 9.984 -11.491 3.080 1.00 0.00 H new ATOM 0 HG3 ARG B 31 8.519 -11.491 2.118 1.00 0.00 H new ATOM 0 HD2 ARG B 31 9.620 -10.456 0.238 1.00 0.00 H new ATOM 0 HD3 ARG B 31 11.011 -10.005 1.204 1.00 0.00 H new ATOM 0 HE ARG B 31 10.805 -12.854 1.207 1.00 0.00 H new ATOM 0 HH11 ARG B 31 11.544 -10.158 -0.977 1.00 0.00 H new ATOM 0 HH12 ARG B 31 12.593 -11.137 -2.007 1.00 0.00 H new ATOM 0 HH21 ARG B 31 12.126 -14.091 -0.115 1.00 0.00 H new ATOM 0 HH22 ARG B 31 12.922 -13.368 -1.517 1.00 0.00 H new ATOM 1342 N LYS B 32 9.400 -10.329 5.807 1.00 0.00 N ATOM 1343 CA LYS B 32 9.733 -11.291 6.853 1.00 0.00 C ATOM 1344 C LYS B 32 8.599 -11.392 7.860 1.00 0.00 C ATOM 1345 O LYS B 32 8.233 -12.504 8.240 1.00 0.00 O ATOM 1346 CB LYS B 32 11.049 -10.920 7.558 1.00 0.00 C ATOM 1347 CG LYS B 32 12.300 -11.541 6.916 1.00 0.00 C ATOM 1348 CD LYS B 32 12.668 -10.940 5.552 1.00 0.00 C ATOM 1349 CE LYS B 32 13.844 -11.683 4.907 1.00 0.00 C ATOM 1350 NZ LYS B 32 13.497 -13.051 4.463 1.00 0.00 N ATOM 0 H LYS B 32 10.042 -9.539 5.747 1.00 0.00 H new ATOM 0 HA LYS B 32 9.872 -12.264 6.381 1.00 0.00 H new ATOM 0 HB2 LYS B 32 11.155 -9.835 7.560 1.00 0.00 H new ATOM 0 HB3 LYS B 32 10.993 -11.236 8.600 1.00 0.00 H new ATOM 0 HG2 LYS B 32 13.143 -11.417 7.595 1.00 0.00 H new ATOM 0 HG3 LYS B 32 12.141 -12.613 6.798 1.00 0.00 H new ATOM 0 HD2 LYS B 32 11.803 -10.982 4.890 1.00 0.00 H new ATOM 0 HD3 LYS B 32 12.925 -9.888 5.675 1.00 0.00 H new ATOM 0 HE2 LYS B 32 14.202 -11.110 4.051 1.00 0.00 H new ATOM 0 HE3 LYS B 32 14.666 -11.737 5.621 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 14.294 -13.456 3.932 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 13.296 -13.645 5.293 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 12.656 -13.015 3.852 1.00 0.00 H new ATOM 1364 N LYS B 33 8.019 -10.269 8.293 1.00 0.00 N ATOM 1365 CA LYS B 33 6.933 -10.307 9.264 1.00 0.00 C ATOM 1366 C LYS B 33 5.669 -10.910 8.652 1.00 0.00 C ATOM 1367 O LYS B 33 5.000 -11.705 9.308 1.00 0.00 O ATOM 1368 CB LYS B 33 6.709 -8.912 9.863 1.00 0.00 C ATOM 1369 CG LYS B 33 6.110 -8.997 11.275 1.00 0.00 C ATOM 1370 CD LYS B 33 7.126 -9.495 12.314 1.00 0.00 C ATOM 1371 CE LYS B 33 6.465 -9.480 13.688 1.00 0.00 C ATOM 1372 NZ LYS B 33 7.372 -9.969 14.740 1.00 0.00 N ATOM 0 H LYS B 33 8.283 -9.333 7.987 1.00 0.00 H new ATOM 0 HA LYS B 33 7.210 -10.965 10.087 1.00 0.00 H new ATOM 0 HB2 LYS B 33 7.656 -8.374 9.900 1.00 0.00 H new ATOM 0 HB3 LYS B 33 6.043 -8.340 9.217 1.00 0.00 H new ATOM 0 HG2 LYS B 33 5.744 -8.014 11.571 1.00 0.00 H new ATOM 0 HG3 LYS B 33 5.250 -9.667 11.262 1.00 0.00 H new ATOM 0 HD2 LYS B 33 7.458 -10.503 12.065 1.00 0.00 H new ATOM 0 HD3 LYS B 33 8.011 -8.858 12.313 1.00 0.00 H new ATOM 0 HE2 LYS B 33 6.147 -8.465 13.926 1.00 0.00 H new ATOM 0 HE3 LYS B 33 5.568 -10.099 13.666 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 6.885 -9.943 15.658 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 7.656 -10.946 14.527 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 8.217 -9.364 14.779 1.00 0.00 H new ATOM 1386 N ALA B 34 5.354 -10.610 7.392 1.00 0.00 N ATOM 1387 CA ALA B 34 4.183 -11.155 6.713 1.00 0.00 C ATOM 1388 C ALA B 34 4.354 -12.672 6.542 1.00 0.00 C ATOM 1389 O ALA B 34 3.415 -13.461 6.648 1.00 0.00 O ATOM 1390 CB ALA B 34 4.019 -10.463 5.356 1.00 0.00 C ATOM 0 H ALA B 34 5.908 -9.979 6.813 1.00 0.00 H new ATOM 0 HA ALA B 34 3.285 -10.974 7.305 1.00 0.00 H new ATOM 0 HB1 ALA B 34 3.145 -10.867 4.845 1.00 0.00 H new ATOM 0 HB2 ALA B 34 3.888 -9.392 5.507 1.00 0.00 H new ATOM 0 HB3 ALA B 34 4.907 -10.637 4.749 1.00 0.00 H new ATOM 1396 N GLU B 35 5.587 -13.100 6.290 1.00 0.00 N ATOM 1397 CA GLU B 35 5.945 -14.499 6.110 1.00 0.00 C ATOM 1398 C GLU B 35 5.977 -15.221 7.469 1.00 0.00 C ATOM 1399 O GLU B 35 5.885 -16.451 7.530 1.00 0.00 O ATOM 1400 CB GLU B 35 7.272 -14.582 5.338 1.00 0.00 C ATOM 1401 CG GLU B 35 7.613 -16.011 4.894 1.00 0.00 C ATOM 1402 CD GLU B 35 8.594 -16.082 3.724 1.00 0.00 C ATOM 1403 OE1 GLU B 35 9.661 -15.421 3.749 1.00 0.00 O ATOM 1404 OE2 GLU B 35 8.353 -16.880 2.795 1.00 0.00 O ATOM 0 H GLU B 35 6.382 -12.467 6.204 1.00 0.00 H new ATOM 0 HA GLU B 35 5.192 -15.016 5.515 1.00 0.00 H new ATOM 0 HB2 GLU B 35 7.218 -13.937 4.461 1.00 0.00 H new ATOM 0 HB3 GLU B 35 8.077 -14.200 5.966 1.00 0.00 H new ATOM 0 HG2 GLU B 35 8.034 -16.553 5.741 1.00 0.00 H new ATOM 0 HG3 GLU B 35 6.692 -16.523 4.614 1.00 0.00 H new ATOM 1411 N ASP B 36 6.085 -14.479 8.571 1.00 0.00 N ATOM 1412 CA ASP B 36 6.112 -14.988 9.936 1.00 0.00 C ATOM 1413 C ASP B 36 4.691 -15.151 10.455 1.00 0.00 C ATOM 1414 O ASP B 36 4.363 -16.183 11.043 1.00 0.00 O ATOM 1415 CB ASP B 36 6.835 -14.030 10.882 1.00 0.00 C ATOM 1416 CG ASP B 36 6.780 -14.597 12.305 1.00 0.00 C ATOM 1417 OD1 ASP B 36 7.434 -15.632 12.552 1.00 0.00 O ATOM 1418 OD2 ASP B 36 6.205 -13.932 13.198 1.00 0.00 O ATOM 0 H ASP B 36 6.159 -13.462 8.531 1.00 0.00 H new ATOM 0 HA ASP B 36 6.638 -15.942 9.910 1.00 0.00 H new ATOM 0 HB2 ASP B 36 7.871 -13.901 10.568 1.00 0.00 H new ATOM 0 HB3 ASP B 36 6.368 -13.046 10.851 1.00 0.00 H new ATOM 1423 N SER B 37 3.836 -14.146 10.235 1.00 0.00 N ATOM 1424 CA SER B 37 2.456 -14.194 10.688 1.00 0.00 C ATOM 1425 C SER B 37 1.621 -15.051 9.729 1.00 0.00 C ATOM 1426 O SER B 37 0.507 -15.432 10.091 1.00 0.00 O ATOM 1427 CB SER B 37 1.944 -12.783 10.995 1.00 0.00 C ATOM 1428 OG SER B 37 0.598 -12.773 11.436 1.00 0.00 O ATOM 0 H SER B 37 4.085 -13.288 9.742 1.00 0.00 H new ATOM 0 HA SER B 37 2.364 -14.707 11.645 1.00 0.00 H new ATOM 0 HB2 SER B 37 2.576 -12.330 11.759 1.00 0.00 H new ATOM 0 HB3 SER B 37 2.034 -12.166 10.101 1.00 0.00 H new ATOM 0 HG SER B 37 0.150 -13.592 11.137 1.00 0.00 H new ATOM 1434 N GLY B 38 2.168 -15.418 8.564 1.00 0.00 N ATOM 1435 CA GLY B 38 1.523 -16.256 7.569 1.00 0.00 C ATOM 1436 C GLY B 38 0.565 -15.532 6.637 1.00 0.00 C ATOM 1437 O GLY B 38 0.102 -16.151 5.676 1.00 0.00 O ATOM 0 H GLY B 38 3.105 -15.125 8.287 1.00 0.00 H new ATOM 0 HA2 GLY B 38 2.294 -16.739 6.968 1.00 0.00 H new ATOM 0 HA3 GLY B 38 0.977 -17.047 8.082 1.00 0.00 H new ATOM 1441 N LEU B 39 0.248 -14.255 6.859 1.00 0.00 N ATOM 1442 CA LEU B 39 -0.675 -13.519 5.999 1.00 0.00 C ATOM 1443 C LEU B 39 0.194 -12.756 5.015 1.00 0.00 C ATOM 1444 O LEU B 39 1.104 -12.047 5.435 1.00 0.00 O ATOM 1445 CB LEU B 39 -1.607 -12.571 6.784 1.00 0.00 C ATOM 1446 CG LEU B 39 -2.229 -13.138 8.074 1.00 0.00 C ATOM 1447 CD1 LEU B 39 -3.241 -12.140 8.645 1.00 0.00 C ATOM 1448 CD2 LEU B 39 -2.944 -14.472 7.841 1.00 0.00 C ATOM 0 H LEU B 39 0.621 -13.707 7.634 1.00 0.00 H new ATOM 0 HA LEU B 39 -1.351 -14.209 5.493 1.00 0.00 H new ATOM 0 HB2 LEU B 39 -1.044 -11.674 7.041 1.00 0.00 H new ATOM 0 HB3 LEU B 39 -2.416 -12.261 6.122 1.00 0.00 H new ATOM 0 HG LEU B 39 -1.409 -13.306 8.773 1.00 0.00 H new ATOM 0 HD11 LEU B 39 -3.678 -12.546 9.557 1.00 0.00 H new ATOM 0 HD12 LEU B 39 -2.737 -11.200 8.871 1.00 0.00 H new ATOM 0 HD13 LEU B 39 -4.029 -11.962 7.913 1.00 0.00 H new ATOM 0 HD21 LEU B 39 -3.365 -14.828 8.781 1.00 0.00 H new ATOM 0 HD22 LEU B 39 -3.745 -14.334 7.115 1.00 0.00 H new ATOM 0 HD23 LEU B 39 -2.232 -15.205 7.461 1.00 0.00 H new ATOM 1460 N THR B 40 -0.052 -12.937 3.722 1.00 0.00 N ATOM 1461 CA THR B 40 0.671 -12.292 2.629 1.00 0.00 C ATOM 1462 C THR B 40 0.843 -10.787 2.910 1.00 0.00 C ATOM 1463 O THR B 40 0.000 -10.179 3.574 1.00 0.00 O ATOM 1464 CB THR B 40 -0.088 -12.605 1.321 1.00 0.00 C ATOM 1465 OG1 THR B 40 0.487 -11.961 0.206 1.00 0.00 O ATOM 1466 CG2 THR B 40 -1.571 -12.220 1.419 1.00 0.00 C ATOM 0 H THR B 40 -0.789 -13.561 3.393 1.00 0.00 H new ATOM 0 HA THR B 40 1.686 -12.678 2.532 1.00 0.00 H new ATOM 0 HB THR B 40 -0.009 -13.683 1.179 1.00 0.00 H new ATOM 0 HG1 THR B 40 -0.022 -12.187 -0.601 1.00 0.00 H new ATOM 0 HG21 THR B 40 -2.071 -12.455 0.479 1.00 0.00 H new ATOM 0 HG22 THR B 40 -2.039 -12.779 2.229 1.00 0.00 H new ATOM 0 HG23 THR B 40 -1.657 -11.152 1.618 1.00 0.00 H new ATOM 1474 N VAL B 41 1.911 -10.177 2.385 1.00 0.00 N ATOM 1475 CA VAL B 41 2.249 -8.764 2.560 1.00 0.00 C ATOM 1476 C VAL B 41 1.031 -7.860 2.359 1.00 0.00 C ATOM 1477 O VAL B 41 0.778 -6.985 3.185 1.00 0.00 O ATOM 1478 CB VAL B 41 3.434 -8.398 1.644 1.00 0.00 C ATOM 1479 CG1 VAL B 41 3.678 -6.886 1.567 1.00 0.00 C ATOM 1480 CG2 VAL B 41 4.725 -9.094 2.103 1.00 0.00 C ATOM 0 H VAL B 41 2.588 -10.674 1.805 1.00 0.00 H new ATOM 0 HA VAL B 41 2.564 -8.597 3.590 1.00 0.00 H new ATOM 0 HB VAL B 41 3.161 -8.748 0.648 1.00 0.00 H new ATOM 0 HG11 VAL B 41 4.524 -6.687 0.909 1.00 0.00 H new ATOM 0 HG12 VAL B 41 2.788 -6.393 1.174 1.00 0.00 H new ATOM 0 HG13 VAL B 41 3.896 -6.501 2.563 1.00 0.00 H new ATOM 0 HG21 VAL B 41 5.544 -8.817 1.438 1.00 0.00 H new ATOM 0 HG22 VAL B 41 4.963 -8.784 3.121 1.00 0.00 H new ATOM 0 HG23 VAL B 41 4.585 -10.175 2.076 1.00 0.00 H new ATOM 1490 N SER B 42 0.249 -8.074 1.304 1.00 0.00 N ATOM 1491 CA SER B 42 -0.930 -7.272 1.023 1.00 0.00 C ATOM 1492 C SER B 42 -1.909 -7.251 2.200 1.00 0.00 C ATOM 1493 O SER B 42 -2.405 -6.178 2.556 1.00 0.00 O ATOM 1494 CB SER B 42 -1.585 -7.796 -0.252 1.00 0.00 C ATOM 1495 OG SER B 42 -1.679 -9.210 -0.231 1.00 0.00 O ATOM 0 H SER B 42 0.419 -8.812 0.620 1.00 0.00 H new ATOM 0 HA SER B 42 -0.627 -6.236 0.874 1.00 0.00 H new ATOM 0 HB2 SER B 42 -2.580 -7.363 -0.358 1.00 0.00 H new ATOM 0 HB3 SER B 42 -1.006 -7.479 -1.119 1.00 0.00 H new ATOM 0 HG SER B 42 -2.103 -9.522 -1.057 1.00 0.00 H new ATOM 1501 N ALA B 43 -2.176 -8.420 2.794 1.00 0.00 N ATOM 1502 CA ALA B 43 -3.060 -8.582 3.934 1.00 0.00 C ATOM 1503 C ALA B 43 -2.400 -7.972 5.157 1.00 0.00 C ATOM 1504 O ALA B 43 -3.065 -7.237 5.871 1.00 0.00 O ATOM 1505 CB ALA B 43 -3.370 -10.050 4.214 1.00 0.00 C ATOM 0 H ALA B 43 -1.767 -9.300 2.479 1.00 0.00 H new ATOM 0 HA ALA B 43 -4.000 -8.080 3.706 1.00 0.00 H new ATOM 0 HB1 ALA B 43 -4.034 -10.124 5.075 1.00 0.00 H new ATOM 0 HB2 ALA B 43 -3.854 -10.492 3.343 1.00 0.00 H new ATOM 0 HB3 ALA B 43 -2.443 -10.584 4.424 1.00 0.00 H new ATOM 1511 N TYR B 44 -1.118 -8.271 5.390 1.00 0.00 N ATOM 1512 CA TYR B 44 -0.341 -7.764 6.512 1.00 0.00 C ATOM 1513 C TYR B 44 -0.509 -6.243 6.591 1.00 0.00 C ATOM 1514 O TYR B 44 -0.897 -5.727 7.633 1.00 0.00 O ATOM 1515 CB TYR B 44 1.116 -8.229 6.368 1.00 0.00 C ATOM 1516 CG TYR B 44 2.058 -7.667 7.408 1.00 0.00 C ATOM 1517 CD1 TYR B 44 2.634 -6.402 7.200 1.00 0.00 C ATOM 1518 CD2 TYR B 44 2.365 -8.392 8.575 1.00 0.00 C ATOM 1519 CE1 TYR B 44 3.510 -5.863 8.153 1.00 0.00 C ATOM 1520 CE2 TYR B 44 3.223 -7.845 9.543 1.00 0.00 C ATOM 1521 CZ TYR B 44 3.799 -6.573 9.338 1.00 0.00 C ATOM 1522 OH TYR B 44 4.643 -6.052 10.267 1.00 0.00 O ATOM 0 H TYR B 44 -0.582 -8.891 4.782 1.00 0.00 H new ATOM 0 HA TYR B 44 -0.697 -8.163 7.462 1.00 0.00 H new ATOM 0 HB2 TYR B 44 1.144 -9.317 6.421 1.00 0.00 H new ATOM 0 HB3 TYR B 44 1.478 -7.949 5.379 1.00 0.00 H new ATOM 0 HD1 TYR B 44 2.402 -5.844 6.305 1.00 0.00 H new ATOM 0 HD2 TYR B 44 1.939 -9.373 8.727 1.00 0.00 H new ATOM 0 HE1 TYR B 44 3.966 -4.899 7.979 1.00 0.00 H new ATOM 0 HE2 TYR B 44 3.442 -8.398 10.445 1.00 0.00 H new ATOM 0 HH TYR B 44 4.962 -5.176 9.964 1.00 0.00 H new ATOM 1532 N ILE B 45 -0.306 -5.539 5.470 1.00 0.00 N ATOM 1533 CA ILE B 45 -0.438 -4.088 5.380 1.00 0.00 C ATOM 1534 C ILE B 45 -1.815 -3.619 5.873 1.00 0.00 C ATOM 1535 O ILE B 45 -1.893 -2.809 6.790 1.00 0.00 O ATOM 1536 CB ILE B 45 -0.175 -3.632 3.922 1.00 0.00 C ATOM 1537 CG1 ILE B 45 1.304 -3.727 3.495 1.00 0.00 C ATOM 1538 CG2 ILE B 45 -0.697 -2.211 3.641 1.00 0.00 C ATOM 1539 CD1 ILE B 45 2.263 -2.857 4.303 1.00 0.00 C ATOM 0 H ILE B 45 -0.041 -5.975 4.587 1.00 0.00 H new ATOM 0 HA ILE B 45 0.305 -3.628 6.031 1.00 0.00 H new ATOM 0 HB ILE B 45 -0.739 -4.343 3.319 1.00 0.00 H new ATOM 0 HG12 ILE B 45 1.624 -4.766 3.575 1.00 0.00 H new ATOM 0 HG13 ILE B 45 1.382 -3.449 2.444 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -0.486 -1.944 2.606 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -1.773 -2.178 3.812 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -0.202 -1.503 4.306 1.00 0.00 H new ATOM 0 HD11 ILE B 45 3.278 -2.991 3.930 1.00 0.00 H new ATOM 0 HD12 ILE B 45 1.975 -1.810 4.204 1.00 0.00 H new ATOM 0 HD13 ILE B 45 2.221 -3.147 5.353 1.00 0.00 H new ATOM 1551 N ARG B 46 -2.902 -4.058 5.227 1.00 0.00 N ATOM 1552 CA ARG B 46 -4.252 -3.637 5.617 1.00 0.00 C ATOM 1553 C ARG B 46 -4.570 -4.026 7.055 1.00 0.00 C ATOM 1554 O ARG B 46 -5.129 -3.215 7.782 1.00 0.00 O ATOM 1555 CB ARG B 46 -5.331 -4.139 4.633 1.00 0.00 C ATOM 1556 CG ARG B 46 -5.307 -5.658 4.403 1.00 0.00 C ATOM 1557 CD ARG B 46 -6.394 -6.179 3.465 1.00 0.00 C ATOM 1558 NE ARG B 46 -7.661 -6.356 4.188 1.00 0.00 N ATOM 1559 CZ ARG B 46 -8.711 -7.083 3.797 1.00 0.00 C ATOM 1560 NH1 ARG B 46 -8.789 -7.580 2.567 1.00 0.00 N ATOM 1561 NH2 ARG B 46 -9.683 -7.293 4.669 1.00 0.00 N ATOM 0 H ARG B 46 -2.873 -4.701 4.436 1.00 0.00 H new ATOM 0 HA ARG B 46 -4.268 -2.548 5.566 1.00 0.00 H new ATOM 0 HB2 ARG B 46 -6.313 -3.854 5.010 1.00 0.00 H new ATOM 0 HB3 ARG B 46 -5.199 -3.635 3.676 1.00 0.00 H new ATOM 0 HG2 ARG B 46 -4.334 -5.935 3.998 1.00 0.00 H new ATOM 0 HG3 ARG B 46 -5.406 -6.159 5.366 1.00 0.00 H new ATOM 0 HD2 ARG B 46 -6.535 -5.481 2.640 1.00 0.00 H new ATOM 0 HD3 ARG B 46 -6.082 -7.128 3.030 1.00 0.00 H new ATOM 0 HE ARG B 46 -7.748 -5.873 5.082 1.00 0.00 H new ATOM 0 HH11 ARG B 46 -8.037 -7.409 1.899 1.00 0.00 H new ATOM 0 HH12 ARG B 46 -9.601 -8.132 2.291 1.00 0.00 H new ATOM 0 HH21 ARG B 46 -9.617 -6.904 5.610 1.00 0.00 H new ATOM 0 HH22 ARG B 46 -10.498 -7.844 4.401 1.00 0.00 H new ATOM 1575 N ASN B 47 -4.229 -5.246 7.456 1.00 0.00 N ATOM 1576 CA ASN B 47 -4.479 -5.771 8.783 1.00 0.00 C ATOM 1577 C ASN B 47 -3.850 -4.884 9.839 1.00 0.00 C ATOM 1578 O ASN B 47 -4.573 -4.379 10.693 1.00 0.00 O ATOM 1579 CB ASN B 47 -3.974 -7.211 8.870 1.00 0.00 C ATOM 1580 CG ASN B 47 -4.351 -7.827 10.201 1.00 0.00 C ATOM 1581 OD1 ASN B 47 -5.498 -8.211 10.395 1.00 0.00 O ATOM 1582 ND2 ASN B 47 -3.410 -7.972 11.108 1.00 0.00 N ATOM 0 H ASN B 47 -3.757 -5.912 6.845 1.00 0.00 H new ATOM 0 HA ASN B 47 -5.552 -5.777 8.973 1.00 0.00 H new ATOM 0 HB2 ASN B 47 -4.398 -7.801 8.057 1.00 0.00 H new ATOM 0 HB3 ASN B 47 -2.891 -7.231 8.747 1.00 0.00 H new ATOM 0 HD21 ASN B 47 -3.627 -8.414 12.001 1.00 0.00 H new ATOM 0 HD22 ASN B 47 -2.464 -7.642 10.918 1.00 0.00 H new ATOM 1589 N ALA B 48 -2.538 -4.673 9.745 1.00 0.00 N ATOM 1590 CA ALA B 48 -1.770 -3.853 10.667 1.00 0.00 C ATOM 1591 C ALA B 48 -2.240 -2.398 10.656 1.00 0.00 C ATOM 1592 O ALA B 48 -2.188 -1.721 11.677 1.00 0.00 O ATOM 1593 CB ALA B 48 -0.298 -3.919 10.244 1.00 0.00 C ATOM 0 H ALA B 48 -1.969 -5.081 9.003 1.00 0.00 H new ATOM 0 HA ALA B 48 -1.907 -4.233 11.679 1.00 0.00 H new ATOM 0 HB1 ALA B 48 0.303 -3.311 10.921 1.00 0.00 H new ATOM 0 HB2 ALA B 48 0.046 -4.953 10.283 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -0.194 -3.540 9.227 1.00 0.00 H new ATOM 1599 N ALA B 49 -2.688 -1.895 9.502 1.00 0.00 N ATOM 1600 CA ALA B 49 -3.138 -0.520 9.385 1.00 0.00 C ATOM 1601 C ALA B 49 -4.433 -0.273 10.150 1.00 0.00 C ATOM 1602 O ALA B 49 -4.587 0.778 10.765 1.00 0.00 O ATOM 1603 CB ALA B 49 -3.334 -0.169 7.911 1.00 0.00 C ATOM 0 H ALA B 49 -2.746 -2.430 8.635 1.00 0.00 H new ATOM 0 HA ALA B 49 -2.371 0.118 9.824 1.00 0.00 H new ATOM 0 HB1 ALA B 49 -3.672 0.864 7.825 1.00 0.00 H new ATOM 0 HB2 ALA B 49 -2.389 -0.287 7.380 1.00 0.00 H new ATOM 0 HB3 ALA B 49 -4.081 -0.833 7.475 1.00 0.00 H new ATOM 1609 N LEU B 50 -5.384 -1.196 10.070 1.00 0.00 N ATOM 1610 CA LEU B 50 -6.677 -1.068 10.734 1.00 0.00 C ATOM 1611 C LEU B 50 -6.602 -1.441 12.210 1.00 0.00 C ATOM 1612 O LEU B 50 -7.308 -0.846 13.015 1.00 0.00 O ATOM 1613 CB LEU B 50 -7.677 -2.004 10.051 1.00 0.00 C ATOM 1614 CG LEU B 50 -7.847 -1.716 8.548 1.00 0.00 C ATOM 1615 CD1 LEU B 50 -8.322 -2.997 7.875 1.00 0.00 C ATOM 1616 CD2 LEU B 50 -8.833 -0.586 8.262 1.00 0.00 C ATOM 0 H LEU B 50 -5.280 -2.061 9.539 1.00 0.00 H new ATOM 0 HA LEU B 50 -6.988 -0.026 10.660 1.00 0.00 H new ATOM 0 HB2 LEU B 50 -7.348 -3.035 10.182 1.00 0.00 H new ATOM 0 HB3 LEU B 50 -8.645 -1.913 10.544 1.00 0.00 H new ATOM 0 HG LEU B 50 -6.885 -1.389 8.154 1.00 0.00 H new ATOM 0 HD11 LEU B 50 -8.451 -2.821 6.807 1.00 0.00 H new ATOM 0 HD12 LEU B 50 -7.582 -3.783 8.026 1.00 0.00 H new ATOM 0 HD13 LEU B 50 -9.273 -3.305 8.309 1.00 0.00 H new ATOM 0 HD21 LEU B 50 -8.908 -0.432 7.185 1.00 0.00 H new ATOM 0 HD22 LEU B 50 -9.813 -0.849 8.660 1.00 0.00 H new ATOM 0 HD23 LEU B 50 -8.483 0.331 8.736 1.00 0.00 H new ATOM 1628 N ASN B 51 -5.780 -2.440 12.531 1.00 0.00 N ATOM 1629 CA ASN B 51 -5.595 -2.944 13.884 1.00 0.00 C ATOM 1630 C ASN B 51 -4.327 -2.356 14.483 1.00 0.00 C ATOM 1631 O ASN B 51 -4.285 -1.118 14.635 1.00 0.00 O ATOM 1632 CB ASN B 51 -5.586 -4.478 13.875 1.00 0.00 C ATOM 1633 CG ASN B 51 -6.882 -5.083 13.366 1.00 0.00 C ATOM 1634 OD1 ASN B 51 -7.841 -5.288 14.111 1.00 0.00 O ATOM 1635 ND2 ASN B 51 -6.953 -5.352 12.076 1.00 0.00 N ATOM 0 H ASN B 51 -5.213 -2.930 11.839 1.00 0.00 H new ATOM 0 HA ASN B 51 -6.427 -2.632 14.516 1.00 0.00 H new ATOM 0 HB2 ASN B 51 -4.762 -4.826 13.253 1.00 0.00 H new ATOM 0 HB3 ASN B 51 -5.397 -4.839 14.886 1.00 0.00 H new ATOM 0 HD21 ASN B 51 -7.812 -5.736 11.682 1.00 0.00 H new ATOM 0 HD22 ASN B 51 -6.149 -5.176 11.473 1.00 0.00 H new