USER MOD reduce.3.24.130724 H: found=0, std=0, add=859, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 861 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 430 TYR OH : rot -100:sc= -1.36! USER MOD Set 1.2: B 447 GLN : amide:sc= 1.84 K(o=0.48,f=-2.2) USER MOD Set 2.1: B 429 CYS SG : rot -93:sc= -2.26 USER MOD Set 2.2: B 433 ASN : amide:sc= -0.528 K(o=-12,f=-25!) USER MOD Set 2.3: B 437 HIS : no HD1:sc= -9.47! C(o=-12!,f=-21!) USER MOD Set 3.1: B 369 HIS : no HD1:sc= -21.6! C(o=-20!,f=-22!) USER MOD Set 3.2: B 372 TYR OH : rot -53:sc= 1.09 USER MOD Set 4.1: B 364 MET CE :methyl -165:sc= -5.78! (180deg=-6.16!) USER MOD Set 4.2: B 425 MET CE :methyl -133:sc= -3.92! (180deg=-7.48!) USER MOD Set 5.1: B 351 SER OG : rot 180:sc= 0.0612 USER MOD Set 5.2: B 355 LYS NZ :NH3+ 146:sc= -0.0759 (180deg=-0.715) USER MOD Single : B 353 GLN : amide:sc= -1.79! C(o=-1.8!,f=-3.9!) USER MOD Single : B 356 CYS SG : rot 180:sc= 0 USER MOD Single : B 357 CYS SG : rot -78:sc= -18.6! USER MOD Single : B 358 SER OG : rot 59:sc= -0.265 USER MOD Single : B 362 LYS NZ :NH3+ 152:sc= -0.0105 (180deg=-0.703) USER MOD Single : B 367 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 368 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 377 TYR OH : rot -17:sc= -4.07! USER MOD Single : B 378 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.054) USER MOD Single : B 388 HIS : no HD1:sc= 0 X(o=0,f=-0.0059) USER MOD Single : B 390 TYR OH : rot -163:sc= -3.98! USER MOD Single : B 391 CYS SG : rot -26:sc= 0.0834 USER MOD Single : B 395 LYS NZ :NH3+ 160:sc= -0.0499 (180deg=-0.353) USER MOD Single : B 396 HIS : no HD1:sc= -4.05! C(o=-4!,f=-3.1!) USER MOD Single : B 398 MET CE :methyl 139:sc= -6.18! (180deg=-6.62!) USER MOD Single : B 400 MET CE :methyl 165:sc= -10.5! (180deg=-11.6!) USER MOD Single : B 401 SER OG : rot 180:sc= 0 USER MOD Single : B 402 THR OG1 : rot 118:sc= 1.12 USER MOD Single : B 404 LYS NZ :NH3+ -153:sc= 0.97 (180deg=0.904) USER MOD Single : B 405 SER OG : rot 180:sc= 0 USER MOD Single : B 406 LYS NZ :NH3+ 174:sc= -1.07 (180deg=-1.08) USER MOD Single : B 412 TYR OH : rot -48:sc= -0.679 USER MOD Single : B 416 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : B 427 SER OG : rot 180:sc= 0 USER MOD Single : B 428 ASN : amide:sc= -4.54! C(o=-4.5!,f=-11!) USER MOD Single : B 431 LYS NZ :NH3+ -157:sc= 0.892 (180deg=-0.393) USER MOD Single : B 432 TYR OH : rot 80:sc= -0.384 USER MOD Single : B 442 MET CE :methyl -132:sc= -3.12! (180deg=-8.55!) USER MOD Single : B 445 LYS NZ :NH3+ -95:sc= -0.27 (180deg=-0.997) USER MOD Single : B 452 MET CE :methyl -138:sc= -0.124 (180deg=-0.623) USER MOD ----------------------------------------------------------------- ATOM 88 N ARG A 7 19.047 2.287 -0.875 1.00 0.00 N ATOM 89 CA ARG A 7 20.043 1.315 -1.326 1.00 0.00 C ATOM 90 C ARG A 7 19.432 -0.077 -1.241 1.00 0.00 C ATOM 91 O ARG A 7 20.105 -1.103 -1.363 1.00 0.00 O ATOM 92 CB ARG A 7 21.352 1.415 -0.530 1.00 0.00 C ATOM 93 CG ARG A 7 22.503 0.639 -1.148 1.00 0.00 C ATOM 94 CD ARG A 7 22.749 1.060 -2.588 1.00 0.00 C ATOM 95 NE ARG A 7 23.845 0.305 -3.196 1.00 0.00 N ATOM 96 CZ ARG A 7 24.655 0.784 -4.138 1.00 0.00 C ATOM 97 NH1 ARG A 7 24.511 2.026 -4.584 1.00 0.00 N ATOM 98 NH2 ARG A 7 25.616 0.016 -4.631 1.00 0.00 N ATOM 0 HA ARG A 7 20.312 1.531 -2.360 1.00 0.00 H new ATOM 0 HB2 ARG A 7 21.636 2.464 -0.446 1.00 0.00 H new ATOM 0 HB3 ARG A 7 21.180 1.049 0.482 1.00 0.00 H new ATOM 0 HG2 ARG A 7 23.408 0.799 -0.561 1.00 0.00 H new ATOM 0 HG3 ARG A 7 22.285 -0.428 -1.112 1.00 0.00 H new ATOM 0 HD2 ARG A 7 21.839 0.912 -3.170 1.00 0.00 H new ATOM 0 HD3 ARG A 7 22.979 2.125 -2.621 1.00 0.00 H new ATOM 0 HE ARG A 7 23.999 -0.652 -2.877 1.00 0.00 H new ATOM 0 HH11 ARG A 7 23.775 2.622 -4.205 1.00 0.00 H new ATOM 0 HH12 ARG A 7 25.136 2.384 -5.306 1.00 0.00 H new ATOM 0 HH21 ARG A 7 25.733 -0.938 -4.289 1.00 0.00 H new ATOM 0 HH22 ARG A 7 26.239 0.379 -5.353 1.00 0.00 H new ATOM 112 N GLY A 8 18.119 -0.080 -1.065 1.00 0.00 N ATOM 113 CA GLY A 8 17.384 -1.300 -0.889 1.00 0.00 C ATOM 114 C GLY A 8 16.914 -1.898 -2.193 1.00 0.00 C ATOM 115 O GLY A 8 16.748 -1.179 -3.178 1.00 0.00 O ATOM 0 H GLY A 8 17.546 0.764 -1.042 1.00 0.00 H new ATOM 0 HA2 GLY A 8 18.011 -2.024 -0.369 1.00 0.00 H new ATOM 0 HA3 GLY A 8 16.521 -1.109 -0.251 1.00 0.00 H new ATOM 450 N VAL B 350 -19.097 -1.874 2.417 1.00 0.00 N ATOM 451 CA VAL B 350 -17.889 -1.611 3.184 1.00 0.00 C ATOM 452 C VAL B 350 -16.951 -2.796 3.244 1.00 0.00 C ATOM 453 O VAL B 350 -15.835 -2.746 2.746 1.00 0.00 O ATOM 454 CB VAL B 350 -18.320 -1.198 4.586 1.00 0.00 C ATOM 455 CG1 VAL B 350 -17.208 -0.499 5.286 1.00 0.00 C ATOM 456 CG2 VAL B 350 -19.537 -0.308 4.467 1.00 0.00 C ATOM 0 HA VAL B 350 -17.326 -0.819 2.690 1.00 0.00 H new ATOM 0 HB VAL B 350 -18.572 -2.078 5.177 1.00 0.00 H new ATOM 0 HG11 VAL B 350 -17.532 -0.210 6.286 1.00 0.00 H new ATOM 0 HG12 VAL B 350 -16.349 -1.166 5.361 1.00 0.00 H new ATOM 0 HG13 VAL B 350 -16.928 0.392 4.724 1.00 0.00 H new ATOM 0 HG21 VAL B 350 -19.862 -0.001 5.461 1.00 0.00 H new ATOM 0 HG22 VAL B 350 -19.286 0.575 3.879 1.00 0.00 H new ATOM 0 HG23 VAL B 350 -20.341 -0.855 3.975 1.00 0.00 H new ATOM 466 N SER B 351 -17.393 -3.850 3.867 1.00 0.00 N ATOM 467 CA SER B 351 -16.631 -5.071 3.891 1.00 0.00 C ATOM 468 C SER B 351 -16.543 -5.674 2.485 1.00 0.00 C ATOM 469 O SER B 351 -15.655 -6.477 2.191 1.00 0.00 O ATOM 470 CB SER B 351 -17.235 -6.021 4.917 1.00 0.00 C ATOM 471 OG SER B 351 -16.533 -7.251 4.978 1.00 0.00 O ATOM 0 H SER B 351 -18.281 -3.891 4.368 1.00 0.00 H new ATOM 0 HA SER B 351 -15.605 -4.871 4.199 1.00 0.00 H new ATOM 0 HB2 SER B 351 -17.225 -5.548 5.899 1.00 0.00 H new ATOM 0 HB3 SER B 351 -18.278 -6.211 4.665 1.00 0.00 H new ATOM 0 HG SER B 351 -16.949 -7.832 5.648 1.00 0.00 H new ATOM 477 N GLU B 352 -17.445 -5.235 1.611 1.00 0.00 N ATOM 478 CA GLU B 352 -17.360 -5.536 0.183 1.00 0.00 C ATOM 479 C GLU B 352 -16.154 -4.815 -0.406 1.00 0.00 C ATOM 480 O GLU B 352 -15.449 -5.343 -1.269 1.00 0.00 O ATOM 481 CB GLU B 352 -18.618 -5.063 -0.537 1.00 0.00 C ATOM 482 CG GLU B 352 -19.908 -5.547 0.088 1.00 0.00 C ATOM 483 CD GLU B 352 -20.242 -6.979 -0.276 1.00 0.00 C ATOM 484 OE1 GLU B 352 -20.825 -7.200 -1.356 1.00 0.00 O ATOM 485 OE2 GLU B 352 -19.939 -7.886 0.523 1.00 0.00 O ATOM 0 H GLU B 352 -18.250 -4.665 1.869 1.00 0.00 H new ATOM 0 HA GLU B 352 -17.260 -6.614 0.054 1.00 0.00 H new ATOM 0 HB2 GLU B 352 -18.624 -3.973 -0.558 1.00 0.00 H new ATOM 0 HB3 GLU B 352 -18.580 -5.401 -1.573 1.00 0.00 H new ATOM 0 HG2 GLU B 352 -19.834 -5.461 1.172 1.00 0.00 H new ATOM 0 HG3 GLU B 352 -20.724 -4.898 -0.228 1.00 0.00 H new ATOM 492 N GLN B 353 -15.927 -3.600 0.088 1.00 0.00 N ATOM 493 CA GLN B 353 -14.777 -2.802 -0.295 1.00 0.00 C ATOM 494 C GLN B 353 -13.533 -3.583 0.032 1.00 0.00 C ATOM 495 O GLN B 353 -12.602 -3.644 -0.745 1.00 0.00 O ATOM 496 CB GLN B 353 -14.757 -1.453 0.448 1.00 0.00 C ATOM 497 CG GLN B 353 -15.754 -0.424 -0.065 1.00 0.00 C ATOM 498 CD GLN B 353 -15.102 0.687 -0.863 1.00 0.00 C ATOM 499 OE1 GLN B 353 -14.085 0.493 -1.507 1.00 0.00 O ATOM 500 NE2 GLN B 353 -15.693 1.859 -0.836 1.00 0.00 N ATOM 0 H GLN B 353 -16.539 -3.145 0.766 1.00 0.00 H new ATOM 0 HA GLN B 353 -14.829 -2.588 -1.363 1.00 0.00 H new ATOM 0 HB2 GLN B 353 -14.955 -1.634 1.505 1.00 0.00 H new ATOM 0 HB3 GLN B 353 -13.754 -1.032 0.379 1.00 0.00 H new ATOM 0 HG2 GLN B 353 -16.496 -0.924 -0.688 1.00 0.00 H new ATOM 0 HG3 GLN B 353 -16.288 0.009 0.781 1.00 0.00 H new ATOM 0 HE21 GLN B 353 -16.543 1.989 -0.287 1.00 0.00 H new ATOM 0 HE22 GLN B 353 -15.302 2.639 -1.364 1.00 0.00 H new ATOM 509 N LEU B 354 -13.536 -4.228 1.169 1.00 0.00 N ATOM 510 CA LEU B 354 -12.383 -4.970 1.572 1.00 0.00 C ATOM 511 C LEU B 354 -12.232 -6.253 0.799 1.00 0.00 C ATOM 512 O LEU B 354 -11.126 -6.654 0.509 1.00 0.00 O ATOM 513 CB LEU B 354 -12.436 -5.266 3.015 1.00 0.00 C ATOM 514 CG LEU B 354 -12.554 -4.033 3.836 1.00 0.00 C ATOM 515 CD1 LEU B 354 -13.471 -4.261 4.994 1.00 0.00 C ATOM 516 CD2 LEU B 354 -11.181 -3.630 4.282 1.00 0.00 C ATOM 0 H LEU B 354 -14.318 -4.252 1.823 1.00 0.00 H new ATOM 0 HA LEU B 354 -11.515 -4.346 1.358 1.00 0.00 H new ATOM 0 HB2 LEU B 354 -13.284 -5.919 3.219 1.00 0.00 H new ATOM 0 HB3 LEU B 354 -11.537 -5.810 3.306 1.00 0.00 H new ATOM 0 HG LEU B 354 -12.987 -3.225 3.247 1.00 0.00 H new ATOM 0 HD11 LEU B 354 -13.546 -3.348 5.584 1.00 0.00 H new ATOM 0 HD12 LEU B 354 -14.459 -4.537 4.627 1.00 0.00 H new ATOM 0 HD13 LEU B 354 -13.078 -5.064 5.617 1.00 0.00 H new ATOM 0 HD21 LEU B 354 -11.246 -2.726 4.887 1.00 0.00 H new ATOM 0 HD22 LEU B 354 -10.741 -4.432 4.874 1.00 0.00 H new ATOM 0 HD23 LEU B 354 -10.556 -3.439 3.409 1.00 0.00 H new ATOM 528 N LYS B 355 -13.331 -6.920 0.486 1.00 0.00 N ATOM 529 CA LYS B 355 -13.256 -8.114 -0.319 1.00 0.00 C ATOM 530 C LYS B 355 -12.594 -7.807 -1.648 1.00 0.00 C ATOM 531 O LYS B 355 -11.775 -8.569 -2.168 1.00 0.00 O ATOM 532 CB LYS B 355 -14.634 -8.692 -0.532 1.00 0.00 C ATOM 533 CG LYS B 355 -15.252 -9.118 0.767 1.00 0.00 C ATOM 534 CD LYS B 355 -14.430 -10.197 1.424 1.00 0.00 C ATOM 535 CE LYS B 355 -13.882 -9.725 2.757 1.00 0.00 C ATOM 536 NZ LYS B 355 -14.964 -9.286 3.681 1.00 0.00 N ATOM 0 H LYS B 355 -14.272 -6.654 0.776 1.00 0.00 H new ATOM 0 HA LYS B 355 -12.652 -8.854 0.206 1.00 0.00 H new ATOM 0 HB2 LYS B 355 -15.271 -7.951 -1.015 1.00 0.00 H new ATOM 0 HB3 LYS B 355 -14.572 -9.547 -1.206 1.00 0.00 H new ATOM 0 HG2 LYS B 355 -15.334 -8.260 1.434 1.00 0.00 H new ATOM 0 HG3 LYS B 355 -16.264 -9.482 0.591 1.00 0.00 H new ATOM 0 HD2 LYS B 355 -15.042 -11.086 1.573 1.00 0.00 H new ATOM 0 HD3 LYS B 355 -13.607 -10.482 0.769 1.00 0.00 H new ATOM 0 HE2 LYS B 355 -13.314 -10.531 3.221 1.00 0.00 H new ATOM 0 HE3 LYS B 355 -13.189 -8.900 2.592 1.00 0.00 H new ATOM 0 HZ1 LYS B 355 -14.700 -9.518 4.660 1.00 0.00 H new ATOM 0 HZ2 LYS B 355 -15.100 -8.259 3.593 1.00 0.00 H new ATOM 0 HZ3 LYS B 355 -15.849 -9.774 3.436 1.00 0.00 H new ATOM 550 N CYS B 356 -12.951 -6.649 -2.156 1.00 0.00 N ATOM 551 CA CYS B 356 -12.393 -6.119 -3.381 1.00 0.00 C ATOM 552 C CYS B 356 -10.955 -5.725 -3.139 1.00 0.00 C ATOM 553 O CYS B 356 -10.040 -6.184 -3.823 1.00 0.00 O ATOM 554 CB CYS B 356 -13.174 -4.889 -3.811 1.00 0.00 C ATOM 555 SG CYS B 356 -13.451 -4.760 -5.594 1.00 0.00 S ATOM 0 H CYS B 356 -13.646 -6.040 -1.725 1.00 0.00 H new ATOM 0 HA CYS B 356 -12.449 -6.878 -4.161 1.00 0.00 H new ATOM 0 HB2 CYS B 356 -14.140 -4.893 -3.306 1.00 0.00 H new ATOM 0 HB3 CYS B 356 -12.641 -4.000 -3.474 1.00 0.00 H new ATOM 0 HG CYS B 356 -14.126 -3.679 -5.851 1.00 0.00 H new ATOM 561 N CYS B 357 -10.780 -4.897 -2.126 1.00 0.00 N ATOM 562 CA CYS B 357 -9.499 -4.325 -1.796 1.00 0.00 C ATOM 563 C CYS B 357 -8.486 -5.366 -1.385 1.00 0.00 C ATOM 564 O CYS B 357 -7.290 -5.201 -1.613 1.00 0.00 O ATOM 565 CB CYS B 357 -9.655 -3.298 -0.716 1.00 0.00 C ATOM 566 SG CYS B 357 -9.351 -1.690 -1.418 1.00 0.00 S ATOM 0 H CYS B 357 -11.535 -4.603 -1.506 1.00 0.00 H new ATOM 0 HA CYS B 357 -9.118 -3.850 -2.700 1.00 0.00 H new ATOM 0 HB2 CYS B 357 -10.658 -3.343 -0.293 1.00 0.00 H new ATOM 0 HB3 CYS B 357 -8.957 -3.494 0.097 1.00 0.00 H new ATOM 0 HG CYS B 357 -8.070 -1.508 -1.548 1.00 0.00 H new ATOM 572 N SER B 358 -8.950 -6.428 -0.762 1.00 0.00 N ATOM 573 CA SER B 358 -8.059 -7.511 -0.436 1.00 0.00 C ATOM 574 C SER B 358 -7.508 -8.082 -1.714 1.00 0.00 C ATOM 575 O SER B 358 -6.308 -8.127 -1.890 1.00 0.00 O ATOM 576 CB SER B 358 -8.758 -8.618 0.352 1.00 0.00 C ATOM 577 OG SER B 358 -9.292 -8.137 1.572 1.00 0.00 O ATOM 0 H SER B 358 -9.920 -6.561 -0.477 1.00 0.00 H new ATOM 0 HA SER B 358 -7.262 -7.116 0.193 1.00 0.00 H new ATOM 0 HB2 SER B 358 -9.559 -9.045 -0.252 1.00 0.00 H new ATOM 0 HB3 SER B 358 -8.050 -9.421 0.556 1.00 0.00 H new ATOM 0 HG SER B 358 -9.935 -7.421 1.388 1.00 0.00 H new ATOM 583 N GLY B 359 -8.406 -8.469 -2.619 1.00 0.00 N ATOM 584 CA GLY B 359 -7.992 -8.975 -3.912 1.00 0.00 C ATOM 585 C GLY B 359 -7.109 -7.986 -4.644 1.00 0.00 C ATOM 586 O GLY B 359 -6.364 -8.356 -5.537 1.00 0.00 O ATOM 0 H GLY B 359 -9.415 -8.440 -2.476 1.00 0.00 H new ATOM 0 HA2 GLY B 359 -7.455 -9.914 -3.780 1.00 0.00 H new ATOM 0 HA3 GLY B 359 -8.872 -9.193 -4.516 1.00 0.00 H new ATOM 590 N ILE B 360 -7.223 -6.722 -4.265 1.00 0.00 N ATOM 591 CA ILE B 360 -6.365 -5.675 -4.755 1.00 0.00 C ATOM 592 C ILE B 360 -4.928 -5.820 -4.243 1.00 0.00 C ATOM 593 O ILE B 360 -3.996 -5.967 -5.033 1.00 0.00 O ATOM 594 CB ILE B 360 -6.941 -4.326 -4.349 1.00 0.00 C ATOM 595 CG1 ILE B 360 -8.280 -4.094 -5.025 1.00 0.00 C ATOM 596 CG2 ILE B 360 -5.973 -3.211 -4.640 1.00 0.00 C ATOM 597 CD1 ILE B 360 -8.718 -2.675 -4.884 1.00 0.00 C ATOM 0 H ILE B 360 -7.926 -6.399 -3.600 1.00 0.00 H new ATOM 0 HA ILE B 360 -6.323 -5.749 -5.842 1.00 0.00 H new ATOM 0 HB ILE B 360 -7.107 -4.335 -3.272 1.00 0.00 H new ATOM 0 HG12 ILE B 360 -8.206 -4.351 -6.082 1.00 0.00 H new ATOM 0 HG13 ILE B 360 -9.030 -4.754 -4.588 1.00 0.00 H new ATOM 0 HG21 ILE B 360 -6.412 -2.260 -4.339 1.00 0.00 H new ATOM 0 HG22 ILE B 360 -5.050 -3.376 -4.084 1.00 0.00 H new ATOM 0 HG23 ILE B 360 -5.754 -3.188 -5.708 1.00 0.00 H new ATOM 0 HD11 ILE B 360 -9.680 -2.540 -5.378 1.00 0.00 H new ATOM 0 HD12 ILE B 360 -8.815 -2.428 -3.827 1.00 0.00 H new ATOM 0 HD13 ILE B 360 -7.979 -2.019 -5.344 1.00 0.00 H new ATOM 609 N LEU B 361 -4.756 -5.766 -2.927 1.00 0.00 N ATOM 610 CA LEU B 361 -3.449 -6.025 -2.298 1.00 0.00 C ATOM 611 C LEU B 361 -2.967 -7.384 -2.671 1.00 0.00 C ATOM 612 O LEU B 361 -1.879 -7.547 -3.181 1.00 0.00 O ATOM 613 CB LEU B 361 -3.576 -6.036 -0.798 1.00 0.00 C ATOM 614 CG LEU B 361 -2.777 -5.006 -0.046 1.00 0.00 C ATOM 615 CD1 LEU B 361 -2.820 -5.363 1.405 1.00 0.00 C ATOM 616 CD2 LEU B 361 -1.370 -4.977 -0.503 1.00 0.00 C ATOM 0 H LEU B 361 -5.502 -5.545 -2.267 1.00 0.00 H new ATOM 0 HA LEU B 361 -2.768 -5.243 -2.633 1.00 0.00 H new ATOM 0 HB2 LEU B 361 -4.628 -5.903 -0.544 1.00 0.00 H new ATOM 0 HB3 LEU B 361 -3.284 -7.023 -0.439 1.00 0.00 H new ATOM 0 HG LEU B 361 -3.204 -4.019 -0.223 1.00 0.00 H new ATOM 0 HD11 LEU B 361 -2.248 -4.632 1.977 1.00 0.00 H new ATOM 0 HD12 LEU B 361 -3.854 -5.364 1.749 1.00 0.00 H new ATOM 0 HD13 LEU B 361 -2.389 -6.354 1.549 1.00 0.00 H new ATOM 0 HD21 LEU B 361 -0.820 -4.223 0.060 1.00 0.00 H new ATOM 0 HD22 LEU B 361 -0.915 -5.954 -0.341 1.00 0.00 H new ATOM 0 HD23 LEU B 361 -1.337 -4.733 -1.565 1.00 0.00 H new ATOM 628 N LYS B 362 -3.774 -8.351 -2.314 1.00 0.00 N ATOM 629 CA LYS B 362 -3.581 -9.739 -2.722 1.00 0.00 C ATOM 630 C LYS B 362 -3.136 -9.848 -4.188 1.00 0.00 C ATOM 631 O LYS B 362 -2.396 -10.759 -4.553 1.00 0.00 O ATOM 632 CB LYS B 362 -4.877 -10.518 -2.537 1.00 0.00 C ATOM 633 CG LYS B 362 -5.106 -11.041 -1.142 1.00 0.00 C ATOM 634 CD LYS B 362 -4.714 -10.048 -0.085 1.00 0.00 C ATOM 635 CE LYS B 362 -5.333 -10.440 1.226 1.00 0.00 C ATOM 636 NZ LYS B 362 -4.827 -11.753 1.718 1.00 0.00 N ATOM 0 H LYS B 362 -4.595 -8.206 -1.726 1.00 0.00 H new ATOM 0 HA LYS B 362 -2.794 -10.157 -2.094 1.00 0.00 H new ATOM 0 HB2 LYS B 362 -5.713 -9.875 -2.811 1.00 0.00 H new ATOM 0 HB3 LYS B 362 -4.881 -11.359 -3.231 1.00 0.00 H new ATOM 0 HG2 LYS B 362 -6.158 -11.299 -1.022 1.00 0.00 H new ATOM 0 HG3 LYS B 362 -4.535 -11.959 -1.003 1.00 0.00 H new ATOM 0 HD2 LYS B 362 -3.629 -10.011 0.010 1.00 0.00 H new ATOM 0 HD3 LYS B 362 -5.043 -9.049 -0.370 1.00 0.00 H new ATOM 0 HE2 LYS B 362 -5.124 -9.670 1.969 1.00 0.00 H new ATOM 0 HE3 LYS B 362 -6.416 -10.489 1.114 1.00 0.00 H new ATOM 0 HZ1 LYS B 362 -4.875 -11.776 2.757 1.00 0.00 H new ATOM 0 HZ2 LYS B 362 -5.412 -12.519 1.327 1.00 0.00 H new ATOM 0 HZ3 LYS B 362 -3.841 -11.881 1.414 1.00 0.00 H new ATOM 650 N GLU B 363 -3.613 -8.932 -5.028 1.00 0.00 N ATOM 651 CA GLU B 363 -3.171 -8.863 -6.416 1.00 0.00 C ATOM 652 C GLU B 363 -1.762 -8.311 -6.510 1.00 0.00 C ATOM 653 O GLU B 363 -0.930 -8.904 -7.140 1.00 0.00 O ATOM 654 CB GLU B 363 -4.084 -8.011 -7.281 1.00 0.00 C ATOM 655 CG GLU B 363 -3.603 -7.926 -8.717 1.00 0.00 C ATOM 656 CD GLU B 363 -3.758 -9.231 -9.471 1.00 0.00 C ATOM 657 OE1 GLU B 363 -4.709 -9.988 -9.186 1.00 0.00 O ATOM 658 OE2 GLU B 363 -2.924 -9.504 -10.356 1.00 0.00 O ATOM 0 H GLU B 363 -4.305 -8.228 -4.770 1.00 0.00 H new ATOM 0 HA GLU B 363 -3.200 -9.887 -6.790 1.00 0.00 H new ATOM 0 HB2 GLU B 363 -5.091 -8.427 -7.262 1.00 0.00 H new ATOM 0 HB3 GLU B 363 -4.146 -7.007 -6.861 1.00 0.00 H new ATOM 0 HG2 GLU B 363 -4.159 -7.145 -9.235 1.00 0.00 H new ATOM 0 HG3 GLU B 363 -2.554 -7.630 -8.726 1.00 0.00 H new ATOM 665 N MET B 364 -1.477 -7.166 -5.915 1.00 0.00 N ATOM 666 CA MET B 364 -0.094 -6.700 -5.866 1.00 0.00 C ATOM 667 C MET B 364 0.770 -7.778 -5.186 1.00 0.00 C ATOM 668 O MET B 364 1.950 -7.926 -5.473 1.00 0.00 O ATOM 669 CB MET B 364 0.025 -5.304 -5.206 1.00 0.00 C ATOM 670 CG MET B 364 -1.193 -4.868 -4.429 1.00 0.00 C ATOM 671 SD MET B 364 -1.436 -3.085 -4.412 1.00 0.00 S ATOM 672 CE MET B 364 0.089 -2.533 -3.669 1.00 0.00 C ATOM 0 H MET B 364 -2.160 -6.553 -5.469 1.00 0.00 H new ATOM 0 HA MET B 364 0.282 -6.557 -6.879 1.00 0.00 H new ATOM 0 HB2 MET B 364 0.885 -5.306 -4.536 1.00 0.00 H new ATOM 0 HB3 MET B 364 0.227 -4.566 -5.982 1.00 0.00 H new ATOM 0 HG2 MET B 364 -2.076 -5.343 -4.857 1.00 0.00 H new ATOM 0 HG3 MET B 364 -1.106 -5.224 -3.403 1.00 0.00 H new ATOM 0 HE1 MET B 364 -0.016 -1.496 -3.349 1.00 0.00 H new ATOM 0 HE2 MET B 364 0.320 -3.157 -2.806 1.00 0.00 H new ATOM 0 HE3 MET B 364 0.896 -2.607 -4.397 1.00 0.00 H new ATOM 682 N PHE B 365 0.134 -8.558 -4.317 1.00 0.00 N ATOM 683 CA PHE B 365 0.737 -9.736 -3.697 1.00 0.00 C ATOM 684 C PHE B 365 0.862 -10.898 -4.695 1.00 0.00 C ATOM 685 O PHE B 365 1.495 -11.915 -4.404 1.00 0.00 O ATOM 686 CB PHE B 365 -0.148 -10.228 -2.561 1.00 0.00 C ATOM 687 CG PHE B 365 0.344 -9.996 -1.180 1.00 0.00 C ATOM 688 CD1 PHE B 365 1.252 -10.852 -0.587 1.00 0.00 C ATOM 689 CD2 PHE B 365 -0.149 -8.948 -0.462 1.00 0.00 C ATOM 690 CE1 PHE B 365 1.664 -10.639 0.714 1.00 0.00 C ATOM 691 CE2 PHE B 365 0.246 -8.730 0.824 1.00 0.00 C ATOM 692 CZ PHE B 365 1.155 -9.570 1.420 1.00 0.00 C ATOM 0 H PHE B 365 -0.827 -8.389 -4.019 1.00 0.00 H new ATOM 0 HA PHE B 365 1.725 -9.440 -3.343 1.00 0.00 H new ATOM 0 HB2 PHE B 365 -1.123 -9.751 -2.659 1.00 0.00 H new ATOM 0 HB3 PHE B 365 -0.303 -11.299 -2.691 1.00 0.00 H new ATOM 0 HD1 PHE B 365 1.641 -11.692 -1.143 1.00 0.00 H new ATOM 0 HD2 PHE B 365 -0.864 -8.280 -0.919 1.00 0.00 H new ATOM 0 HE1 PHE B 365 2.379 -11.305 1.174 1.00 0.00 H new ATOM 0 HE2 PHE B 365 -0.157 -7.894 1.376 1.00 0.00 H new ATOM 0 HZ PHE B 365 1.470 -9.394 2.438 1.00 0.00 H new ATOM 702 N ALA B 366 0.183 -10.776 -5.827 1.00 0.00 N ATOM 703 CA ALA B 366 0.217 -11.792 -6.871 1.00 0.00 C ATOM 704 C ALA B 366 1.629 -12.006 -7.358 1.00 0.00 C ATOM 705 O ALA B 366 2.427 -11.079 -7.337 1.00 0.00 O ATOM 706 CB ALA B 366 -0.697 -11.432 -8.041 1.00 0.00 C ATOM 0 H ALA B 366 -0.405 -9.973 -6.048 1.00 0.00 H new ATOM 0 HA ALA B 366 -0.152 -12.720 -6.434 1.00 0.00 H new ATOM 0 HB1 ALA B 366 -0.644 -12.214 -8.798 1.00 0.00 H new ATOM 0 HB2 ALA B 366 -1.723 -11.340 -7.686 1.00 0.00 H new ATOM 0 HB3 ALA B 366 -0.377 -10.485 -8.475 1.00 0.00 H new ATOM 712 N LYS B 367 1.939 -13.223 -7.789 1.00 0.00 N ATOM 713 CA LYS B 367 3.237 -13.517 -8.386 1.00 0.00 C ATOM 714 C LYS B 367 3.474 -12.515 -9.512 1.00 0.00 C ATOM 715 O LYS B 367 4.590 -12.040 -9.738 1.00 0.00 O ATOM 716 CB LYS B 367 3.248 -14.957 -8.911 1.00 0.00 C ATOM 717 CG LYS B 367 4.635 -15.574 -9.050 1.00 0.00 C ATOM 718 CD LYS B 367 5.429 -14.957 -10.189 1.00 0.00 C ATOM 719 CE LYS B 367 6.816 -15.567 -10.294 1.00 0.00 C ATOM 720 NZ LYS B 367 7.615 -14.952 -11.386 1.00 0.00 N ATOM 0 H LYS B 367 1.309 -14.023 -7.736 1.00 0.00 H new ATOM 0 HA LYS B 367 4.035 -13.428 -7.649 1.00 0.00 H new ATOM 0 HB2 LYS B 367 2.654 -15.578 -8.240 1.00 0.00 H new ATOM 0 HB3 LYS B 367 2.757 -14.978 -9.884 1.00 0.00 H new ATOM 0 HG2 LYS B 367 5.183 -15.445 -8.117 1.00 0.00 H new ATOM 0 HG3 LYS B 367 4.538 -16.647 -9.217 1.00 0.00 H new ATOM 0 HD2 LYS B 367 4.894 -15.103 -11.128 1.00 0.00 H new ATOM 0 HD3 LYS B 367 5.514 -13.881 -10.034 1.00 0.00 H new ATOM 0 HE2 LYS B 367 7.340 -15.441 -9.347 1.00 0.00 H new ATOM 0 HE3 LYS B 367 6.728 -16.639 -10.469 1.00 0.00 H new ATOM 0 HZ1 LYS B 367 8.554 -15.398 -11.422 1.00 0.00 H new ATOM 0 HZ2 LYS B 367 7.129 -15.094 -12.294 1.00 0.00 H new ATOM 0 HZ3 LYS B 367 7.722 -13.933 -11.206 1.00 0.00 H new ATOM 734 N LYS B 368 2.376 -12.191 -10.179 1.00 0.00 N ATOM 735 CA LYS B 368 2.303 -11.119 -11.155 1.00 0.00 C ATOM 736 C LYS B 368 3.008 -9.836 -10.651 1.00 0.00 C ATOM 737 O LYS B 368 3.805 -9.244 -11.376 1.00 0.00 O ATOM 738 CB LYS B 368 0.824 -10.898 -11.469 1.00 0.00 C ATOM 739 CG LYS B 368 0.312 -9.513 -11.224 1.00 0.00 C ATOM 740 CD LYS B 368 0.868 -8.487 -12.197 1.00 0.00 C ATOM 741 CE LYS B 368 0.423 -8.776 -13.599 1.00 0.00 C ATOM 742 NZ LYS B 368 0.858 -7.732 -14.564 1.00 0.00 N ATOM 0 H LYS B 368 1.490 -12.680 -10.052 1.00 0.00 H new ATOM 0 HA LYS B 368 2.835 -11.389 -12.067 1.00 0.00 H new ATOM 0 HB2 LYS B 368 0.651 -11.150 -12.515 1.00 0.00 H new ATOM 0 HB3 LYS B 368 0.236 -11.595 -10.872 1.00 0.00 H new ATOM 0 HG2 LYS B 368 -0.776 -9.517 -11.293 1.00 0.00 H new ATOM 0 HG3 LYS B 368 0.565 -9.214 -10.207 1.00 0.00 H new ATOM 0 HD2 LYS B 368 0.539 -7.490 -11.906 1.00 0.00 H new ATOM 0 HD3 LYS B 368 1.957 -8.489 -12.150 1.00 0.00 H new ATOM 0 HE2 LYS B 368 0.821 -9.742 -13.911 1.00 0.00 H new ATOM 0 HE3 LYS B 368 -0.664 -8.856 -13.622 1.00 0.00 H new ATOM 0 HZ1 LYS B 368 0.525 -7.980 -15.517 1.00 0.00 H new ATOM 0 HZ2 LYS B 368 0.458 -6.813 -14.285 1.00 0.00 H new ATOM 0 HZ3 LYS B 368 1.896 -7.671 -14.565 1.00 0.00 H new ATOM 756 N HIS B 369 2.735 -9.408 -9.411 1.00 0.00 N ATOM 757 CA HIS B 369 3.353 -8.184 -8.896 1.00 0.00 C ATOM 758 C HIS B 369 4.424 -8.506 -7.874 1.00 0.00 C ATOM 759 O HIS B 369 5.035 -7.612 -7.332 1.00 0.00 O ATOM 760 CB HIS B 369 2.341 -7.178 -8.310 1.00 0.00 C ATOM 761 CG HIS B 369 1.161 -6.879 -9.173 1.00 0.00 C ATOM 762 ND1 HIS B 369 1.149 -5.942 -10.177 1.00 0.00 N ATOM 763 CD2 HIS B 369 -0.073 -7.400 -9.148 1.00 0.00 C ATOM 764 CE1 HIS B 369 -0.054 -5.909 -10.715 1.00 0.00 C ATOM 765 NE2 HIS B 369 -0.811 -6.781 -10.108 1.00 0.00 N ATOM 0 H HIS B 369 2.106 -9.879 -8.761 1.00 0.00 H new ATOM 0 HA HIS B 369 3.808 -7.698 -9.759 1.00 0.00 H new ATOM 0 HB2 HIS B 369 1.983 -7.563 -7.355 1.00 0.00 H new ATOM 0 HB3 HIS B 369 2.863 -6.244 -8.101 1.00 0.00 H new ATOM 0 HD2 HIS B 369 -0.421 -8.176 -8.482 1.00 0.00 H new ATOM 0 HE1 HIS B 369 -0.362 -5.265 -11.526 1.00 0.00 H new ATOM 0 HE2 HIS B 369 -1.792 -6.967 -10.318 1.00 0.00 H new ATOM 774 N ALA B 370 4.696 -9.783 -7.652 1.00 0.00 N ATOM 775 CA ALA B 370 5.721 -10.185 -6.695 1.00 0.00 C ATOM 776 C ALA B 370 7.099 -9.999 -7.267 1.00 0.00 C ATOM 777 O ALA B 370 8.092 -10.370 -6.654 1.00 0.00 O ATOM 778 CB ALA B 370 5.547 -11.617 -6.249 1.00 0.00 C ATOM 0 H ALA B 370 4.224 -10.558 -8.119 1.00 0.00 H new ATOM 0 HA ALA B 370 5.605 -9.540 -5.824 1.00 0.00 H new ATOM 0 HB1 ALA B 370 6.331 -11.874 -5.537 1.00 0.00 H new ATOM 0 HB2 ALA B 370 4.573 -11.734 -5.774 1.00 0.00 H new ATOM 0 HB3 ALA B 370 5.611 -12.278 -7.114 1.00 0.00 H new ATOM 784 N ALA B 371 7.149 -9.486 -8.468 1.00 0.00 N ATOM 785 CA ALA B 371 8.392 -9.075 -9.052 1.00 0.00 C ATOM 786 C ALA B 371 8.815 -7.756 -8.434 1.00 0.00 C ATOM 787 O ALA B 371 9.992 -7.391 -8.454 1.00 0.00 O ATOM 788 CB ALA B 371 8.215 -8.914 -10.542 1.00 0.00 C ATOM 0 H ALA B 371 6.333 -9.343 -9.063 1.00 0.00 H new ATOM 0 HA ALA B 371 9.160 -9.826 -8.864 1.00 0.00 H new ATOM 0 HB1 ALA B 371 9.159 -8.601 -10.989 1.00 0.00 H new ATOM 0 HB2 ALA B 371 7.905 -9.864 -10.976 1.00 0.00 H new ATOM 0 HB3 ALA B 371 7.453 -8.160 -10.738 1.00 0.00 H new ATOM 794 N TYR B 372 7.840 -7.044 -7.860 1.00 0.00 N ATOM 795 CA TYR B 372 8.085 -5.683 -7.423 1.00 0.00 C ATOM 796 C TYR B 372 7.263 -5.245 -6.217 1.00 0.00 C ATOM 797 O TYR B 372 7.555 -4.232 -5.607 1.00 0.00 O ATOM 798 CB TYR B 372 7.850 -4.754 -8.584 1.00 0.00 C ATOM 799 CG TYR B 372 6.633 -5.089 -9.384 1.00 0.00 C ATOM 800 CD1 TYR B 372 5.418 -4.559 -9.039 1.00 0.00 C ATOM 801 CD2 TYR B 372 6.716 -5.883 -10.518 1.00 0.00 C ATOM 802 CE1 TYR B 372 4.305 -4.800 -9.797 1.00 0.00 C ATOM 803 CE2 TYR B 372 5.601 -6.146 -11.282 1.00 0.00 C ATOM 804 CZ TYR B 372 4.397 -5.599 -10.918 1.00 0.00 C ATOM 805 OH TYR B 372 3.285 -5.829 -11.684 1.00 0.00 O ATOM 0 H TYR B 372 6.894 -7.387 -7.693 1.00 0.00 H new ATOM 0 HA TYR B 372 9.121 -5.642 -7.086 1.00 0.00 H new ATOM 0 HB2 TYR B 372 7.759 -3.734 -8.209 1.00 0.00 H new ATOM 0 HB3 TYR B 372 8.722 -4.776 -9.238 1.00 0.00 H new ATOM 0 HD1 TYR B 372 5.338 -3.942 -8.156 1.00 0.00 H new ATOM 0 HD2 TYR B 372 7.669 -6.301 -10.806 1.00 0.00 H new ATOM 0 HE1 TYR B 372 3.356 -4.366 -9.518 1.00 0.00 H new ATOM 0 HE2 TYR B 372 5.674 -6.775 -12.157 1.00 0.00 H new ATOM 0 HH TYR B 372 2.561 -6.167 -11.116 1.00 0.00 H new ATOM 815 N ALA B 373 6.251 -5.988 -5.867 1.00 0.00 N ATOM 816 CA ALA B 373 5.448 -5.641 -4.702 1.00 0.00 C ATOM 817 C ALA B 373 5.918 -6.426 -3.518 1.00 0.00 C ATOM 818 O ALA B 373 5.595 -6.124 -2.383 1.00 0.00 O ATOM 819 CB ALA B 373 3.985 -5.920 -4.928 1.00 0.00 C ATOM 0 H ALA B 373 5.955 -6.832 -6.358 1.00 0.00 H new ATOM 0 HA ALA B 373 5.567 -4.572 -4.523 1.00 0.00 H new ATOM 0 HB1 ALA B 373 3.421 -5.648 -4.036 1.00 0.00 H new ATOM 0 HB2 ALA B 373 3.629 -5.334 -5.775 1.00 0.00 H new ATOM 0 HB3 ALA B 373 3.845 -6.981 -5.136 1.00 0.00 H new ATOM 825 N TRP B 374 6.682 -7.447 -3.809 1.00 0.00 N ATOM 826 CA TRP B 374 7.233 -8.313 -2.796 1.00 0.00 C ATOM 827 C TRP B 374 7.975 -7.542 -1.667 1.00 0.00 C ATOM 828 O TRP B 374 7.906 -7.977 -0.520 1.00 0.00 O ATOM 829 CB TRP B 374 8.120 -9.351 -3.483 1.00 0.00 C ATOM 830 CG TRP B 374 9.375 -8.764 -4.060 1.00 0.00 C ATOM 831 CD1 TRP B 374 9.609 -8.459 -5.361 1.00 0.00 C ATOM 832 CD2 TRP B 374 10.538 -8.355 -3.340 1.00 0.00 C ATOM 833 NE1 TRP B 374 10.839 -7.880 -5.502 1.00 0.00 N ATOM 834 CE2 TRP B 374 11.435 -7.802 -4.268 1.00 0.00 C ATOM 835 CE3 TRP B 374 10.893 -8.396 -1.998 1.00 0.00 C ATOM 836 CZ2 TRP B 374 12.674 -7.292 -3.885 1.00 0.00 C ATOM 837 CZ3 TRP B 374 12.105 -7.889 -1.613 1.00 0.00 C ATOM 838 CH2 TRP B 374 12.988 -7.337 -2.550 1.00 0.00 C ATOM 0 H TRP B 374 6.942 -7.704 -4.761 1.00 0.00 H new ATOM 0 HA TRP B 374 6.416 -8.818 -2.280 1.00 0.00 H new ATOM 0 HB2 TRP B 374 8.386 -10.126 -2.764 1.00 0.00 H new ATOM 0 HB3 TRP B 374 7.553 -9.835 -4.278 1.00 0.00 H new ATOM 0 HD1 TRP B 374 8.920 -8.647 -6.171 1.00 0.00 H new ATOM 0 HE1 TRP B 374 11.247 -7.559 -6.380 1.00 0.00 H new ATOM 0 HE3 TRP B 374 10.222 -8.822 -1.267 1.00 0.00 H new ATOM 0 HZ2 TRP B 374 13.359 -6.878 -4.610 1.00 0.00 H new ATOM 0 HZ3 TRP B 374 12.385 -7.915 -0.570 1.00 0.00 H new ATOM 0 HH2 TRP B 374 13.934 -6.939 -2.215 1.00 0.00 H new ATOM 849 N PRO B 375 8.682 -6.384 -1.926 1.00 0.00 N ATOM 850 CA PRO B 375 9.345 -5.631 -0.852 1.00 0.00 C ATOM 851 C PRO B 375 8.344 -4.762 -0.136 1.00 0.00 C ATOM 852 O PRO B 375 8.685 -3.966 0.735 1.00 0.00 O ATOM 853 CB PRO B 375 10.361 -4.779 -1.601 1.00 0.00 C ATOM 854 CG PRO B 375 9.696 -4.473 -2.886 1.00 0.00 C ATOM 855 CD PRO B 375 8.894 -5.704 -3.234 1.00 0.00 C ATOM 0 HA PRO B 375 9.801 -6.265 -0.092 1.00 0.00 H new ATOM 0 HB2 PRO B 375 10.602 -3.870 -1.050 1.00 0.00 H new ATOM 0 HB3 PRO B 375 11.297 -5.317 -1.754 1.00 0.00 H new ATOM 0 HG2 PRO B 375 9.052 -3.599 -2.795 1.00 0.00 H new ATOM 0 HG3 PRO B 375 10.428 -4.250 -3.662 1.00 0.00 H new ATOM 0 HD2 PRO B 375 7.946 -5.442 -3.705 1.00 0.00 H new ATOM 0 HD3 PRO B 375 9.431 -6.345 -3.933 1.00 0.00 H new ATOM 863 N PHE B 376 7.106 -4.912 -0.563 1.00 0.00 N ATOM 864 CA PHE B 376 5.995 -4.242 0.063 1.00 0.00 C ATOM 865 C PHE B 376 5.161 -5.242 0.842 1.00 0.00 C ATOM 866 O PHE B 376 4.655 -4.877 1.881 1.00 0.00 O ATOM 867 CB PHE B 376 5.142 -3.456 -0.946 1.00 0.00 C ATOM 868 CG PHE B 376 5.954 -2.470 -1.738 1.00 0.00 C ATOM 869 CD1 PHE B 376 6.742 -2.896 -2.785 1.00 0.00 C ATOM 870 CD2 PHE B 376 5.966 -1.128 -1.401 1.00 0.00 C ATOM 871 CE1 PHE B 376 7.522 -2.009 -3.492 1.00 0.00 C ATOM 872 CE2 PHE B 376 6.759 -0.230 -2.107 1.00 0.00 C ATOM 873 CZ PHE B 376 7.532 -0.678 -3.153 1.00 0.00 C ATOM 0 H PHE B 376 6.847 -5.502 -1.353 1.00 0.00 H new ATOM 0 HA PHE B 376 6.396 -3.504 0.758 1.00 0.00 H new ATOM 0 HB2 PHE B 376 4.656 -4.154 -1.628 1.00 0.00 H new ATOM 0 HB3 PHE B 376 4.351 -2.927 -0.415 1.00 0.00 H new ATOM 0 HD1 PHE B 376 6.748 -3.942 -3.055 1.00 0.00 H new ATOM 0 HD2 PHE B 376 5.355 -0.775 -0.583 1.00 0.00 H new ATOM 0 HE1 PHE B 376 8.127 -2.360 -4.315 1.00 0.00 H new ATOM 0 HE2 PHE B 376 6.768 0.815 -1.835 1.00 0.00 H new ATOM 0 HZ PHE B 376 8.146 0.016 -3.707 1.00 0.00 H new ATOM 883 N TYR B 377 5.040 -6.516 0.374 1.00 0.00 N ATOM 884 CA TYR B 377 4.344 -7.550 1.180 1.00 0.00 C ATOM 885 C TYR B 377 4.879 -7.463 2.567 1.00 0.00 C ATOM 886 O TYR B 377 4.165 -7.421 3.542 1.00 0.00 O ATOM 887 CB TYR B 377 4.586 -9.000 0.755 1.00 0.00 C ATOM 888 CG TYR B 377 4.405 -9.356 -0.687 1.00 0.00 C ATOM 889 CD1 TYR B 377 4.031 -8.426 -1.612 1.00 0.00 C ATOM 890 CD2 TYR B 377 4.569 -10.670 -1.102 1.00 0.00 C ATOM 891 CE1 TYR B 377 3.814 -8.774 -2.913 1.00 0.00 C ATOM 892 CE2 TYR B 377 4.364 -11.025 -2.413 1.00 0.00 C ATOM 893 CZ TYR B 377 3.980 -10.062 -3.309 1.00 0.00 C ATOM 894 OH TYR B 377 3.729 -10.386 -4.600 1.00 0.00 O ATOM 0 H TYR B 377 5.401 -6.840 -0.523 1.00 0.00 H new ATOM 0 HA TYR B 377 3.281 -7.342 1.061 1.00 0.00 H new ATOM 0 HB2 TYR B 377 5.605 -9.263 1.037 1.00 0.00 H new ATOM 0 HB3 TYR B 377 3.919 -9.634 1.340 1.00 0.00 H new ATOM 0 HD1 TYR B 377 3.905 -7.397 -1.309 1.00 0.00 H new ATOM 0 HD2 TYR B 377 4.861 -11.423 -0.385 1.00 0.00 H new ATOM 0 HE1 TYR B 377 3.510 -8.024 -3.629 1.00 0.00 H new ATOM 0 HE2 TYR B 377 4.503 -12.047 -2.733 1.00 0.00 H new ATOM 0 HH TYR B 377 3.197 -9.677 -5.018 1.00 0.00 H new ATOM 904 N LYS B 378 6.160 -7.369 2.617 1.00 0.00 N ATOM 905 CA LYS B 378 6.851 -7.280 3.844 1.00 0.00 C ATOM 906 C LYS B 378 7.506 -5.918 3.967 1.00 0.00 C ATOM 907 O LYS B 378 7.574 -5.160 3.005 1.00 0.00 O ATOM 908 CB LYS B 378 7.825 -8.424 3.925 1.00 0.00 C ATOM 909 CG LYS B 378 8.389 -8.823 2.606 1.00 0.00 C ATOM 910 CD LYS B 378 9.486 -7.877 2.189 1.00 0.00 C ATOM 911 CE LYS B 378 10.691 -8.001 3.108 1.00 0.00 C ATOM 912 NZ LYS B 378 11.445 -9.260 2.861 1.00 0.00 N ATOM 0 H LYS B 378 6.761 -7.352 1.793 1.00 0.00 H new ATOM 0 HA LYS B 378 6.171 -7.366 4.691 1.00 0.00 H new ATOM 0 HB2 LYS B 378 8.642 -8.148 4.591 1.00 0.00 H new ATOM 0 HB3 LYS B 378 7.326 -9.284 4.372 1.00 0.00 H new ATOM 0 HG2 LYS B 378 8.780 -9.839 2.664 1.00 0.00 H new ATOM 0 HG3 LYS B 378 7.600 -8.828 1.854 1.00 0.00 H new ATOM 0 HD2 LYS B 378 9.784 -8.090 1.162 1.00 0.00 H new ATOM 0 HD3 LYS B 378 9.114 -6.853 2.207 1.00 0.00 H new ATOM 0 HE2 LYS B 378 11.351 -7.146 2.960 1.00 0.00 H new ATOM 0 HE3 LYS B 378 10.361 -7.972 4.146 1.00 0.00 H new ATOM 0 HZ1 LYS B 378 12.338 -9.240 3.394 1.00 0.00 H new ATOM 0 HZ2 LYS B 378 10.875 -10.073 3.171 1.00 0.00 H new ATOM 0 HZ3 LYS B 378 11.650 -9.348 1.845 1.00 0.00 H new ATOM 926 N PRO B 379 7.989 -5.605 5.151 1.00 0.00 N ATOM 927 CA PRO B 379 8.451 -4.268 5.510 1.00 0.00 C ATOM 928 C PRO B 379 9.778 -3.907 4.860 1.00 0.00 C ATOM 929 O PRO B 379 10.605 -4.784 4.583 1.00 0.00 O ATOM 930 CB PRO B 379 8.614 -4.352 7.038 1.00 0.00 C ATOM 931 CG PRO B 379 7.995 -5.659 7.433 1.00 0.00 C ATOM 932 CD PRO B 379 8.155 -6.543 6.243 1.00 0.00 C ATOM 0 HA PRO B 379 7.756 -3.498 5.174 1.00 0.00 H new ATOM 0 HB2 PRO B 379 9.665 -4.313 7.324 1.00 0.00 H new ATOM 0 HB3 PRO B 379 8.118 -3.517 7.533 1.00 0.00 H new ATOM 0 HG2 PRO B 379 8.491 -6.081 8.307 1.00 0.00 H new ATOM 0 HG3 PRO B 379 6.944 -5.534 7.692 1.00 0.00 H new ATOM 0 HD2 PRO B 379 9.132 -7.027 6.221 1.00 0.00 H new ATOM 0 HD3 PRO B 379 7.407 -7.335 6.219 1.00 0.00 H new ATOM 940 N VAL B 380 9.953 -2.608 4.607 1.00 0.00 N ATOM 941 CA VAL B 380 11.237 -2.056 4.181 1.00 0.00 C ATOM 942 C VAL B 380 12.334 -2.613 5.067 1.00 0.00 C ATOM 943 O VAL B 380 12.389 -2.352 6.272 1.00 0.00 O ATOM 944 CB VAL B 380 11.231 -0.504 4.188 1.00 0.00 C ATOM 945 CG1 VAL B 380 10.093 0.042 5.035 1.00 0.00 C ATOM 946 CG2 VAL B 380 12.551 0.060 4.667 1.00 0.00 C ATOM 0 H VAL B 380 9.211 -1.913 4.692 1.00 0.00 H new ATOM 0 HA VAL B 380 11.423 -2.355 3.149 1.00 0.00 H new ATOM 0 HB VAL B 380 11.080 -0.186 3.156 1.00 0.00 H new ATOM 0 HG11 VAL B 380 10.118 1.132 5.019 1.00 0.00 H new ATOM 0 HG12 VAL B 380 9.141 -0.306 4.633 1.00 0.00 H new ATOM 0 HG13 VAL B 380 10.203 -0.308 6.061 1.00 0.00 H new ATOM 0 HG21 VAL B 380 12.506 1.149 4.657 1.00 0.00 H new ATOM 0 HG22 VAL B 380 12.748 -0.286 5.682 1.00 0.00 H new ATOM 0 HG23 VAL B 380 13.351 -0.276 4.007 1.00 0.00 H new ATOM 956 N ASP B 381 13.171 -3.435 4.465 1.00 0.00 N ATOM 957 CA ASP B 381 14.144 -4.187 5.215 1.00 0.00 C ATOM 958 C ASP B 381 15.390 -3.375 5.453 1.00 0.00 C ATOM 959 O ASP B 381 16.316 -3.357 4.658 1.00 0.00 O ATOM 960 CB ASP B 381 14.461 -5.496 4.528 1.00 0.00 C ATOM 961 CG ASP B 381 15.007 -6.519 5.501 1.00 0.00 C ATOM 962 OD1 ASP B 381 16.028 -6.239 6.159 1.00 0.00 O ATOM 963 OD2 ASP B 381 14.406 -7.604 5.617 1.00 0.00 O ATOM 0 H ASP B 381 13.193 -3.596 3.458 1.00 0.00 H new ATOM 0 HA ASP B 381 13.713 -4.420 6.189 1.00 0.00 H new ATOM 0 HB2 ASP B 381 13.560 -5.887 4.056 1.00 0.00 H new ATOM 0 HB3 ASP B 381 15.188 -5.324 3.734 1.00 0.00 H new ATOM 968 N VAL B 382 15.393 -2.733 6.590 1.00 0.00 N ATOM 969 CA VAL B 382 16.423 -1.796 6.984 1.00 0.00 C ATOM 970 C VAL B 382 17.777 -2.479 7.162 1.00 0.00 C ATOM 971 O VAL B 382 18.824 -1.832 7.164 1.00 0.00 O ATOM 972 CB VAL B 382 15.956 -1.129 8.280 1.00 0.00 C ATOM 973 CG1 VAL B 382 16.929 -0.089 8.817 1.00 0.00 C ATOM 974 CG2 VAL B 382 14.572 -0.554 8.036 1.00 0.00 C ATOM 0 H VAL B 382 14.661 -2.847 7.291 1.00 0.00 H new ATOM 0 HA VAL B 382 16.570 -1.051 6.202 1.00 0.00 H new ATOM 0 HB VAL B 382 15.916 -1.882 9.067 1.00 0.00 H new ATOM 0 HG11 VAL B 382 16.531 0.341 9.736 1.00 0.00 H new ATOM 0 HG12 VAL B 382 17.889 -0.561 9.023 1.00 0.00 H new ATOM 0 HG13 VAL B 382 17.064 0.700 8.077 1.00 0.00 H new ATOM 0 HG21 VAL B 382 14.213 -0.071 8.945 1.00 0.00 H new ATOM 0 HG22 VAL B 382 14.619 0.179 7.230 1.00 0.00 H new ATOM 0 HG23 VAL B 382 13.889 -1.356 7.757 1.00 0.00 H new ATOM 984 N GLU B 383 17.744 -3.793 7.253 1.00 0.00 N ATOM 985 CA GLU B 383 18.945 -4.577 7.417 1.00 0.00 C ATOM 986 C GLU B 383 19.447 -5.025 6.057 1.00 0.00 C ATOM 987 O GLU B 383 20.616 -4.860 5.706 1.00 0.00 O ATOM 988 CB GLU B 383 18.648 -5.768 8.311 1.00 0.00 C ATOM 989 CG GLU B 383 19.302 -7.035 7.841 1.00 0.00 C ATOM 990 CD GLU B 383 19.778 -7.909 8.978 1.00 0.00 C ATOM 991 OE1 GLU B 383 18.941 -8.601 9.591 1.00 0.00 O ATOM 992 OE2 GLU B 383 20.994 -7.907 9.274 1.00 0.00 O ATOM 0 H GLU B 383 16.886 -4.343 7.215 1.00 0.00 H new ATOM 0 HA GLU B 383 19.724 -3.977 7.888 1.00 0.00 H new ATOM 0 HB2 GLU B 383 18.984 -5.547 9.324 1.00 0.00 H new ATOM 0 HB3 GLU B 383 17.570 -5.919 8.359 1.00 0.00 H new ATOM 0 HG2 GLU B 383 18.596 -7.597 7.229 1.00 0.00 H new ATOM 0 HG3 GLU B 383 20.149 -6.785 7.202 1.00 0.00 H new ATOM 999 N ALA B 384 18.526 -5.585 5.309 1.00 0.00 N ATOM 1000 CA ALA B 384 18.759 -6.066 3.966 1.00 0.00 C ATOM 1001 C ALA B 384 19.164 -4.940 3.035 1.00 0.00 C ATOM 1002 O ALA B 384 20.172 -5.019 2.333 1.00 0.00 O ATOM 1003 CB ALA B 384 17.461 -6.647 3.495 1.00 0.00 C ATOM 0 H ALA B 384 17.566 -5.723 5.626 1.00 0.00 H new ATOM 0 HA ALA B 384 19.568 -6.797 3.965 1.00 0.00 H new ATOM 0 HB1 ALA B 384 17.580 -7.028 2.480 1.00 0.00 H new ATOM 0 HB2 ALA B 384 17.166 -7.462 4.156 1.00 0.00 H new ATOM 0 HB3 ALA B 384 16.692 -5.875 3.505 1.00 0.00 H new ATOM 1009 N LEU B 385 18.352 -3.898 3.046 1.00 0.00 N ATOM 1010 CA LEU B 385 18.496 -2.782 2.132 1.00 0.00 C ATOM 1011 C LEU B 385 19.705 -1.930 2.509 1.00 0.00 C ATOM 1012 O LEU B 385 20.195 -1.132 1.713 1.00 0.00 O ATOM 1013 CB LEU B 385 17.226 -1.928 2.165 1.00 0.00 C ATOM 1014 CG LEU B 385 15.903 -2.679 1.959 1.00 0.00 C ATOM 1015 CD1 LEU B 385 14.766 -1.699 1.704 1.00 0.00 C ATOM 1016 CD2 LEU B 385 16.000 -3.675 0.817 1.00 0.00 C ATOM 0 H LEU B 385 17.570 -3.803 3.694 1.00 0.00 H new ATOM 0 HA LEU B 385 18.649 -3.170 1.125 1.00 0.00 H new ATOM 0 HB2 LEU B 385 17.183 -1.414 3.125 1.00 0.00 H new ATOM 0 HB3 LEU B 385 17.308 -1.160 1.396 1.00 0.00 H new ATOM 0 HG LEU B 385 15.695 -3.234 2.874 1.00 0.00 H new ATOM 0 HD11 LEU B 385 13.836 -2.250 1.560 1.00 0.00 H new ATOM 0 HD12 LEU B 385 14.663 -1.030 2.559 1.00 0.00 H new ATOM 0 HD13 LEU B 385 14.983 -1.114 0.810 1.00 0.00 H new ATOM 0 HD21 LEU B 385 15.046 -4.188 0.700 1.00 0.00 H new ATOM 0 HD22 LEU B 385 16.244 -3.148 -0.105 1.00 0.00 H new ATOM 0 HD23 LEU B 385 16.780 -4.405 1.036 1.00 0.00 H new ATOM 1028 N GLY B 386 20.179 -2.122 3.738 1.00 0.00 N ATOM 1029 CA GLY B 386 21.287 -1.344 4.254 1.00 0.00 C ATOM 1030 C GLY B 386 20.860 0.046 4.636 1.00 0.00 C ATOM 1031 O GLY B 386 21.625 1.006 4.534 1.00 0.00 O ATOM 0 H GLY B 386 19.808 -2.812 4.391 1.00 0.00 H new ATOM 0 HA2 GLY B 386 21.711 -1.846 5.124 1.00 0.00 H new ATOM 0 HA3 GLY B 386 22.074 -1.289 3.502 1.00 0.00 H new ATOM 1035 N LEU B 387 19.631 0.140 5.099 1.00 0.00 N ATOM 1036 CA LEU B 387 19.053 1.402 5.494 1.00 0.00 C ATOM 1037 C LEU B 387 19.648 1.863 6.818 1.00 0.00 C ATOM 1038 O LEU B 387 19.517 1.179 7.824 1.00 0.00 O ATOM 1039 CB LEU B 387 17.559 1.259 5.656 1.00 0.00 C ATOM 1040 CG LEU B 387 16.811 0.709 4.459 1.00 0.00 C ATOM 1041 CD1 LEU B 387 15.368 1.044 4.561 1.00 0.00 C ATOM 1042 CD2 LEU B 387 17.349 1.233 3.164 1.00 0.00 C ATOM 0 H LEU B 387 19.006 -0.659 5.211 1.00 0.00 H new ATOM 0 HA LEU B 387 19.272 2.137 4.719 1.00 0.00 H new ATOM 0 HB2 LEU B 387 17.367 0.609 6.510 1.00 0.00 H new ATOM 0 HB3 LEU B 387 17.145 2.237 5.900 1.00 0.00 H new ATOM 0 HG LEU B 387 16.948 -0.372 4.466 1.00 0.00 H new ATOM 0 HD11 LEU B 387 14.840 0.644 3.696 1.00 0.00 H new ATOM 0 HD12 LEU B 387 14.957 0.607 5.471 1.00 0.00 H new ATOM 0 HD13 LEU B 387 15.247 2.127 4.591 1.00 0.00 H new ATOM 0 HD21 LEU B 387 16.780 0.810 2.336 1.00 0.00 H new ATOM 0 HD22 LEU B 387 17.262 2.319 3.147 1.00 0.00 H new ATOM 0 HD23 LEU B 387 18.397 0.952 3.065 1.00 0.00 H new ATOM 1054 N HIS B 388 20.311 3.004 6.831 1.00 0.00 N ATOM 1055 CA HIS B 388 20.873 3.511 8.081 1.00 0.00 C ATOM 1056 C HIS B 388 20.268 4.854 8.468 1.00 0.00 C ATOM 1057 O HIS B 388 20.694 5.483 9.435 1.00 0.00 O ATOM 1058 CB HIS B 388 22.394 3.621 7.991 1.00 0.00 C ATOM 1059 CG HIS B 388 23.095 2.299 8.027 1.00 0.00 C ATOM 1060 ND1 HIS B 388 23.611 1.689 6.907 1.00 0.00 N ATOM 1061 CD2 HIS B 388 23.371 1.471 9.063 1.00 0.00 C ATOM 1062 CE1 HIS B 388 24.173 0.546 7.249 1.00 0.00 C ATOM 1063 NE2 HIS B 388 24.041 0.389 8.552 1.00 0.00 N ATOM 0 H HIS B 388 20.475 3.591 6.013 1.00 0.00 H new ATOM 0 HA HIS B 388 20.620 2.793 8.862 1.00 0.00 H new ATOM 0 HB2 HIS B 388 22.658 4.138 7.068 1.00 0.00 H new ATOM 0 HB3 HIS B 388 22.755 4.236 8.815 1.00 0.00 H new ATOM 0 HD2 HIS B 388 23.112 1.633 10.099 1.00 0.00 H new ATOM 0 HE1 HIS B 388 24.659 -0.145 6.576 1.00 0.00 H new ATOM 0 HE2 HIS B 388 24.382 -0.407 9.091 1.00 0.00 H new ATOM 1072 N ASP B 389 19.278 5.290 7.706 1.00 0.00 N ATOM 1073 CA ASP B 389 18.563 6.527 8.013 1.00 0.00 C ATOM 1074 C ASP B 389 17.063 6.267 8.057 1.00 0.00 C ATOM 1075 O ASP B 389 16.271 7.172 8.300 1.00 0.00 O ATOM 1076 CB ASP B 389 18.883 7.611 6.977 1.00 0.00 C ATOM 1077 CG ASP B 389 20.277 8.194 7.133 1.00 0.00 C ATOM 1078 OD1 ASP B 389 21.254 7.549 6.703 1.00 0.00 O ATOM 1079 OD2 ASP B 389 20.399 9.314 7.674 1.00 0.00 O ATOM 0 H ASP B 389 18.948 4.809 6.869 1.00 0.00 H new ATOM 0 HA ASP B 389 18.890 6.881 8.991 1.00 0.00 H new ATOM 0 HB2 ASP B 389 18.782 7.190 5.977 1.00 0.00 H new ATOM 0 HB3 ASP B 389 18.149 8.413 7.061 1.00 0.00 H new ATOM 1084 N TYR B 390 16.701 5.010 7.822 1.00 0.00 N ATOM 1085 CA TYR B 390 15.315 4.543 7.775 1.00 0.00 C ATOM 1086 C TYR B 390 14.413 5.165 8.824 1.00 0.00 C ATOM 1087 O TYR B 390 13.438 5.802 8.482 1.00 0.00 O ATOM 1088 CB TYR B 390 15.308 3.069 7.947 1.00 0.00 C ATOM 1089 CG TYR B 390 13.967 2.508 8.227 1.00 0.00 C ATOM 1090 CD1 TYR B 390 13.040 2.455 7.227 1.00 0.00 C ATOM 1091 CD2 TYR B 390 13.636 2.016 9.483 1.00 0.00 C ATOM 1092 CE1 TYR B 390 11.813 1.919 7.438 1.00 0.00 C ATOM 1093 CE2 TYR B 390 12.396 1.476 9.716 1.00 0.00 C ATOM 1094 CZ TYR B 390 11.488 1.422 8.689 1.00 0.00 C ATOM 1095 OH TYR B 390 10.268 0.855 8.909 1.00 0.00 O ATOM 0 H TYR B 390 17.379 4.267 7.654 1.00 0.00 H new ATOM 0 HA TYR B 390 14.914 4.847 6.808 1.00 0.00 H new ATOM 0 HB2 TYR B 390 15.705 2.605 7.044 1.00 0.00 H new ATOM 0 HB3 TYR B 390 15.980 2.804 8.763 1.00 0.00 H new ATOM 0 HD1 TYR B 390 13.288 2.847 6.251 1.00 0.00 H new ATOM 0 HD2 TYR B 390 14.360 2.059 10.283 1.00 0.00 H new ATOM 0 HE1 TYR B 390 11.092 1.880 6.634 1.00 0.00 H new ATOM 0 HE2 TYR B 390 12.138 1.099 10.695 1.00 0.00 H new ATOM 0 HH TYR B 390 10.099 0.807 9.873 1.00 0.00 H new ATOM 1105 N CYS B 391 14.732 4.971 10.093 1.00 0.00 N ATOM 1106 CA CYS B 391 13.833 5.373 11.169 1.00 0.00 C ATOM 1107 C CYS B 391 13.717 6.893 11.251 1.00 0.00 C ATOM 1108 O CYS B 391 12.828 7.432 11.913 1.00 0.00 O ATOM 1109 CB CYS B 391 14.310 4.781 12.495 1.00 0.00 C ATOM 1110 SG CYS B 391 13.181 5.055 13.879 1.00 0.00 S ATOM 0 H CYS B 391 15.602 4.540 10.405 1.00 0.00 H new ATOM 0 HA CYS B 391 12.837 4.984 10.955 1.00 0.00 H new ATOM 0 HB2 CYS B 391 14.458 3.709 12.369 1.00 0.00 H new ATOM 0 HB3 CYS B 391 15.281 5.210 12.743 1.00 0.00 H new ATOM 0 HG CYS B 391 12.481 6.129 13.662 1.00 0.00 H new ATOM 1116 N ASP B 392 14.609 7.579 10.557 1.00 0.00 N ATOM 1117 CA ASP B 392 14.541 9.023 10.437 1.00 0.00 C ATOM 1118 C ASP B 392 13.564 9.393 9.367 1.00 0.00 C ATOM 1119 O ASP B 392 12.719 10.273 9.534 1.00 0.00 O ATOM 1120 CB ASP B 392 15.897 9.594 10.088 1.00 0.00 C ATOM 1121 CG ASP B 392 16.568 10.270 11.261 1.00 0.00 C ATOM 1122 OD1 ASP B 392 16.326 11.480 11.465 1.00 0.00 O ATOM 1123 OD2 ASP B 392 17.337 9.602 11.985 1.00 0.00 O ATOM 0 H ASP B 392 15.395 7.154 10.065 1.00 0.00 H new ATOM 0 HA ASP B 392 14.219 9.434 11.394 1.00 0.00 H new ATOM 0 HB2 ASP B 392 16.539 8.794 9.720 1.00 0.00 H new ATOM 0 HB3 ASP B 392 15.785 10.312 9.276 1.00 0.00 H new ATOM 1128 N ILE B 393 13.709 8.714 8.265 1.00 0.00 N ATOM 1129 CA ILE B 393 12.802 8.842 7.166 1.00 0.00 C ATOM 1130 C ILE B 393 11.427 8.391 7.561 1.00 0.00 C ATOM 1131 O ILE B 393 10.475 9.154 7.625 1.00 0.00 O ATOM 1132 CB ILE B 393 13.261 7.965 6.002 1.00 0.00 C ATOM 1133 CG1 ILE B 393 14.580 8.471 5.496 1.00 0.00 C ATOM 1134 CG2 ILE B 393 12.228 8.023 4.891 1.00 0.00 C ATOM 1135 CD1 ILE B 393 15.657 7.443 5.403 1.00 0.00 C ATOM 0 H ILE B 393 14.467 8.051 8.105 1.00 0.00 H new ATOM 0 HA ILE B 393 12.783 9.892 6.872 1.00 0.00 H new ATOM 0 HB ILE B 393 13.372 6.933 6.336 1.00 0.00 H new ATOM 0 HG12 ILE B 393 14.430 8.908 4.509 1.00 0.00 H new ATOM 0 HG13 ILE B 393 14.920 9.273 6.151 1.00 0.00 H new ATOM 0 HG21 ILE B 393 12.553 7.398 4.059 1.00 0.00 H new ATOM 0 HG22 ILE B 393 11.271 7.660 5.265 1.00 0.00 H new ATOM 0 HG23 ILE B 393 12.118 9.052 4.550 1.00 0.00 H new ATOM 0 HD11 ILE B 393 16.570 7.905 5.028 1.00 0.00 H new ATOM 0 HD12 ILE B 393 15.843 7.021 6.391 1.00 0.00 H new ATOM 0 HD13 ILE B 393 15.346 6.650 4.723 1.00 0.00 H new ATOM 1147 N ILE B 394 11.379 7.137 7.871 1.00 0.00 N ATOM 1148 CA ILE B 394 10.172 6.395 7.954 1.00 0.00 C ATOM 1149 C ILE B 394 9.535 6.510 9.325 1.00 0.00 C ATOM 1150 O ILE B 394 10.154 6.221 10.348 1.00 0.00 O ATOM 1151 CB ILE B 394 10.491 4.942 7.639 1.00 0.00 C ATOM 1152 CG1 ILE B 394 11.063 4.811 6.223 1.00 0.00 C ATOM 1153 CG2 ILE B 394 9.277 4.086 7.836 1.00 0.00 C ATOM 1154 CD1 ILE B 394 10.069 5.062 5.124 1.00 0.00 C ATOM 0 H ILE B 394 12.211 6.585 8.080 1.00 0.00 H new ATOM 0 HA ILE B 394 9.454 6.795 7.238 1.00 0.00 H new ATOM 0 HB ILE B 394 11.256 4.589 8.331 1.00 0.00 H new ATOM 0 HG12 ILE B 394 11.891 5.511 6.113 1.00 0.00 H new ATOM 0 HG13 ILE B 394 11.474 3.809 6.102 1.00 0.00 H new ATOM 0 HG21 ILE B 394 9.522 3.049 7.606 1.00 0.00 H new ATOM 0 HG22 ILE B 394 8.944 4.160 8.871 1.00 0.00 H new ATOM 0 HG23 ILE B 394 8.481 4.426 7.174 1.00 0.00 H new ATOM 0 HD11 ILE B 394 10.559 4.948 4.157 1.00 0.00 H new ATOM 0 HD12 ILE B 394 9.251 4.346 5.203 1.00 0.00 H new ATOM 0 HD13 ILE B 394 9.675 6.074 5.214 1.00 0.00 H new ATOM 1166 N LYS B 395 8.294 6.944 9.323 1.00 0.00 N ATOM 1167 CA LYS B 395 7.521 7.066 10.539 1.00 0.00 C ATOM 1168 C LYS B 395 6.429 6.012 10.529 1.00 0.00 C ATOM 1169 O LYS B 395 6.018 5.492 11.562 1.00 0.00 O ATOM 1170 CB LYS B 395 6.896 8.440 10.604 1.00 0.00 C ATOM 1171 CG LYS B 395 7.826 9.553 10.143 1.00 0.00 C ATOM 1172 CD LYS B 395 8.971 9.795 11.109 1.00 0.00 C ATOM 1173 CE LYS B 395 9.735 11.051 10.734 1.00 0.00 C ATOM 1174 NZ LYS B 395 8.915 12.281 10.905 1.00 0.00 N ATOM 0 H LYS B 395 7.793 7.222 8.479 1.00 0.00 H new ATOM 0 HA LYS B 395 8.166 6.925 11.406 1.00 0.00 H new ATOM 0 HB2 LYS B 395 5.997 8.451 9.988 1.00 0.00 H new ATOM 0 HB3 LYS B 395 6.583 8.640 11.629 1.00 0.00 H new ATOM 0 HG2 LYS B 395 8.230 9.301 9.163 1.00 0.00 H new ATOM 0 HG3 LYS B 395 7.254 10.474 10.025 1.00 0.00 H new ATOM 0 HD2 LYS B 395 8.583 9.889 12.123 1.00 0.00 H new ATOM 0 HD3 LYS B 395 9.645 8.938 11.103 1.00 0.00 H new ATOM 0 HE2 LYS B 395 10.632 11.126 11.349 1.00 0.00 H new ATOM 0 HE3 LYS B 395 10.065 10.978 9.698 1.00 0.00 H new ATOM 0 HZ1 LYS B 395 9.541 13.109 10.972 1.00 0.00 H new ATOM 0 HZ2 LYS B 395 8.280 12.391 10.088 1.00 0.00 H new ATOM 0 HZ3 LYS B 395 8.350 12.203 11.775 1.00 0.00 H new ATOM 1188 N HIS B 396 5.969 5.705 9.324 1.00 0.00 N ATOM 1189 CA HIS B 396 4.950 4.712 9.101 1.00 0.00 C ATOM 1190 C HIS B 396 5.211 4.043 7.791 1.00 0.00 C ATOM 1191 O HIS B 396 4.720 4.440 6.741 1.00 0.00 O ATOM 1192 CB HIS B 396 3.534 5.288 9.114 1.00 0.00 C ATOM 1193 CG HIS B 396 3.423 6.703 8.645 1.00 0.00 C ATOM 1194 ND1 HIS B 396 2.396 7.545 9.008 1.00 0.00 N ATOM 1195 CD2 HIS B 396 4.205 7.404 7.803 1.00 0.00 C ATOM 1196 CE1 HIS B 396 2.550 8.707 8.403 1.00 0.00 C ATOM 1197 NE2 HIS B 396 3.643 8.648 7.665 1.00 0.00 N ATOM 0 H HIS B 396 6.303 6.149 8.469 1.00 0.00 H new ATOM 0 HA HIS B 396 5.001 3.999 9.924 1.00 0.00 H new ATOM 0 HB2 HIS B 396 2.898 4.663 8.488 1.00 0.00 H new ATOM 0 HB3 HIS B 396 3.142 5.226 10.129 1.00 0.00 H new ATOM 0 HD2 HIS B 396 5.107 7.052 7.325 1.00 0.00 H new ATOM 0 HE1 HIS B 396 1.894 9.560 8.496 1.00 0.00 H new ATOM 0 HE2 HIS B 396 4.010 9.404 7.087 1.00 0.00 H new ATOM 1206 N PRO B 397 6.045 3.048 7.871 1.00 0.00 N ATOM 1207 CA PRO B 397 6.326 2.165 6.785 1.00 0.00 C ATOM 1208 C PRO B 397 5.219 1.156 6.676 1.00 0.00 C ATOM 1209 O PRO B 397 4.982 0.369 7.594 1.00 0.00 O ATOM 1210 CB PRO B 397 7.606 1.492 7.205 1.00 0.00 C ATOM 1211 CG PRO B 397 7.593 1.539 8.681 1.00 0.00 C ATOM 1212 CD PRO B 397 6.742 2.682 9.087 1.00 0.00 C ATOM 0 HA PRO B 397 6.410 2.664 5.820 1.00 0.00 H new ATOM 0 HB2 PRO B 397 7.650 0.465 6.843 1.00 0.00 H new ATOM 0 HB3 PRO B 397 8.476 2.010 6.801 1.00 0.00 H new ATOM 0 HG2 PRO B 397 7.203 0.607 9.090 1.00 0.00 H new ATOM 0 HG3 PRO B 397 8.605 1.658 9.069 1.00 0.00 H new ATOM 0 HD2 PRO B 397 6.046 2.401 9.877 1.00 0.00 H new ATOM 0 HD3 PRO B 397 7.340 3.509 9.469 1.00 0.00 H new ATOM 1220 N MET B 398 4.534 1.176 5.579 1.00 0.00 N ATOM 1221 CA MET B 398 3.417 0.306 5.420 1.00 0.00 C ATOM 1222 C MET B 398 3.800 -0.848 4.543 1.00 0.00 C ATOM 1223 O MET B 398 4.550 -0.692 3.582 1.00 0.00 O ATOM 1224 CB MET B 398 2.245 1.079 4.881 1.00 0.00 C ATOM 1225 CG MET B 398 0.948 0.320 4.906 1.00 0.00 C ATOM 1226 SD MET B 398 0.828 -0.864 6.263 1.00 0.00 S ATOM 1227 CE MET B 398 1.093 0.260 7.614 1.00 0.00 C ATOM 0 H MET B 398 4.728 1.783 4.783 1.00 0.00 H new ATOM 0 HA MET B 398 3.116 -0.105 6.383 1.00 0.00 H new ATOM 0 HB2 MET B 398 2.129 1.995 5.461 1.00 0.00 H new ATOM 0 HB3 MET B 398 2.460 1.377 3.855 1.00 0.00 H new ATOM 0 HG2 MET B 398 0.123 1.029 4.980 1.00 0.00 H new ATOM 0 HG3 MET B 398 0.829 -0.210 3.961 1.00 0.00 H new ATOM 0 HE1 MET B 398 0.414 0.014 8.431 1.00 0.00 H new ATOM 0 HE2 MET B 398 2.123 0.176 7.961 1.00 0.00 H new ATOM 0 HE3 MET B 398 0.905 1.281 7.281 1.00 0.00 H new ATOM 1237 N ASP B 399 3.321 -2.004 4.911 1.00 0.00 N ATOM 1238 CA ASP B 399 3.663 -3.214 4.227 1.00 0.00 C ATOM 1239 C ASP B 399 2.390 -3.906 3.820 1.00 0.00 C ATOM 1240 O ASP B 399 1.466 -4.049 4.627 1.00 0.00 O ATOM 1241 CB ASP B 399 4.535 -4.125 5.109 1.00 0.00 C ATOM 1242 CG ASP B 399 3.848 -4.565 6.387 1.00 0.00 C ATOM 1243 OD1 ASP B 399 3.876 -3.805 7.379 1.00 0.00 O ATOM 1244 OD2 ASP B 399 3.287 -5.679 6.417 1.00 0.00 O ATOM 0 H ASP B 399 2.682 -2.131 5.695 1.00 0.00 H new ATOM 0 HA ASP B 399 4.252 -2.979 3.340 1.00 0.00 H new ATOM 0 HB2 ASP B 399 4.820 -5.008 4.536 1.00 0.00 H new ATOM 0 HB3 ASP B 399 5.455 -3.599 5.363 1.00 0.00 H new ATOM 1249 N MET B 400 2.361 -4.290 2.548 1.00 0.00 N ATOM 1250 CA MET B 400 1.252 -4.976 1.907 1.00 0.00 C ATOM 1251 C MET B 400 0.706 -6.093 2.793 1.00 0.00 C ATOM 1252 O MET B 400 -0.442 -6.477 2.657 1.00 0.00 O ATOM 1253 CB MET B 400 1.714 -5.559 0.555 1.00 0.00 C ATOM 1254 CG MET B 400 1.863 -4.571 -0.587 1.00 0.00 C ATOM 1255 SD MET B 400 2.730 -5.264 -1.978 1.00 0.00 S ATOM 1256 CE MET B 400 1.448 -6.347 -2.543 1.00 0.00 C ATOM 0 H MET B 400 3.142 -4.124 1.913 1.00 0.00 H new ATOM 0 HA MET B 400 0.453 -4.253 1.742 1.00 0.00 H new ATOM 0 HB2 MET B 400 2.673 -6.055 0.706 1.00 0.00 H new ATOM 0 HB3 MET B 400 1.002 -6.327 0.252 1.00 0.00 H new ATOM 0 HG2 MET B 400 0.875 -4.239 -0.907 1.00 0.00 H new ATOM 0 HG3 MET B 400 2.397 -3.689 -0.233 1.00 0.00 H new ATOM 0 HE1 MET B 400 1.675 -6.683 -3.555 1.00 0.00 H new ATOM 0 HE2 MET B 400 1.382 -7.210 -1.880 1.00 0.00 H new ATOM 0 HE3 MET B 400 0.496 -5.816 -2.543 1.00 0.00 H new ATOM 1266 N SER B 401 1.519 -6.609 3.705 1.00 0.00 N ATOM 1267 CA SER B 401 1.077 -7.681 4.569 1.00 0.00 C ATOM 1268 C SER B 401 0.246 -7.179 5.749 1.00 0.00 C ATOM 1269 O SER B 401 -0.727 -7.828 6.101 1.00 0.00 O ATOM 1270 CB SER B 401 2.263 -8.519 5.063 1.00 0.00 C ATOM 1271 OG SER B 401 1.843 -9.580 5.903 1.00 0.00 O ATOM 0 H SER B 401 2.479 -6.302 3.861 1.00 0.00 H new ATOM 0 HA SER B 401 0.428 -8.316 3.966 1.00 0.00 H new ATOM 0 HB2 SER B 401 2.803 -8.925 4.207 1.00 0.00 H new ATOM 0 HB3 SER B 401 2.959 -7.879 5.606 1.00 0.00 H new ATOM 0 HG SER B 401 2.624 -10.093 6.197 1.00 0.00 H new ATOM 1277 N THR B 402 0.607 -6.054 6.373 1.00 0.00 N ATOM 1278 CA THR B 402 -0.219 -5.527 7.462 1.00 0.00 C ATOM 1279 C THR B 402 -1.552 -5.094 6.928 1.00 0.00 C ATOM 1280 O THR B 402 -2.577 -5.575 7.369 1.00 0.00 O ATOM 1281 CB THR B 402 0.352 -4.308 8.186 1.00 0.00 C ATOM 1282 OG1 THR B 402 1.667 -4.588 8.688 1.00 0.00 O ATOM 1283 CG2 THR B 402 -0.581 -3.929 9.343 1.00 0.00 C ATOM 0 H THR B 402 1.438 -5.506 6.152 1.00 0.00 H new ATOM 0 HA THR B 402 -0.274 -6.352 8.172 1.00 0.00 H new ATOM 0 HB THR B 402 0.425 -3.478 7.484 1.00 0.00 H new ATOM 0 HG1 THR B 402 2.314 -3.988 8.262 1.00 0.00 H new ATOM 0 HG21 THR B 402 -0.180 -3.060 9.864 1.00 0.00 H new ATOM 0 HG22 THR B 402 -1.570 -3.692 8.950 1.00 0.00 H new ATOM 0 HG23 THR B 402 -0.657 -4.765 10.038 1.00 0.00 H new ATOM 1291 N ILE B 403 -1.522 -4.169 5.983 1.00 0.00 N ATOM 1292 CA ILE B 403 -2.711 -3.676 5.354 1.00 0.00 C ATOM 1293 C ILE B 403 -3.626 -4.814 4.951 1.00 0.00 C ATOM 1294 O ILE B 403 -4.837 -4.765 5.155 1.00 0.00 O ATOM 1295 CB ILE B 403 -2.287 -2.831 4.164 1.00 0.00 C ATOM 1296 CG1 ILE B 403 -3.337 -2.748 3.125 1.00 0.00 C ATOM 1297 CG2 ILE B 403 -1.023 -3.369 3.514 1.00 0.00 C ATOM 1298 CD1 ILE B 403 -2.776 -2.010 1.969 1.00 0.00 C ATOM 0 H ILE B 403 -0.662 -3.744 5.637 1.00 0.00 H new ATOM 0 HA ILE B 403 -3.285 -3.062 6.048 1.00 0.00 H new ATOM 0 HB ILE B 403 -2.104 -1.836 4.569 1.00 0.00 H new ATOM 0 HG12 ILE B 403 -3.655 -3.746 2.823 1.00 0.00 H new ATOM 0 HG13 ILE B 403 -4.218 -2.237 3.513 1.00 0.00 H new ATOM 0 HG21 ILE B 403 -0.752 -2.738 2.667 1.00 0.00 H new ATOM 0 HG22 ILE B 403 -0.211 -3.368 4.241 1.00 0.00 H new ATOM 0 HG23 ILE B 403 -1.198 -4.387 3.166 1.00 0.00 H new ATOM 0 HD11 ILE B 403 -3.530 -1.933 1.186 1.00 0.00 H new ATOM 0 HD12 ILE B 403 -2.478 -1.010 2.285 1.00 0.00 H new ATOM 0 HD13 ILE B 403 -1.906 -2.543 1.585 1.00 0.00 H new ATOM 1310 N LYS B 404 -3.022 -5.853 4.435 1.00 0.00 N ATOM 1311 CA LYS B 404 -3.709 -7.072 4.140 1.00 0.00 C ATOM 1312 C LYS B 404 -4.202 -7.751 5.403 1.00 0.00 C ATOM 1313 O LYS B 404 -5.342 -8.143 5.503 1.00 0.00 O ATOM 1314 CB LYS B 404 -2.724 -7.955 3.469 1.00 0.00 C ATOM 1315 CG LYS B 404 -2.951 -9.424 3.614 1.00 0.00 C ATOM 1316 CD LYS B 404 -1.809 -10.100 2.955 1.00 0.00 C ATOM 1317 CE LYS B 404 -0.769 -10.473 3.979 1.00 0.00 C ATOM 1318 NZ LYS B 404 -1.210 -11.581 4.868 1.00 0.00 N ATOM 0 H LYS B 404 -2.028 -5.871 4.207 1.00 0.00 H new ATOM 0 HA LYS B 404 -4.580 -6.869 3.516 1.00 0.00 H new ATOM 0 HB2 LYS B 404 -2.715 -7.713 2.406 1.00 0.00 H new ATOM 0 HB3 LYS B 404 -1.733 -7.721 3.858 1.00 0.00 H new ATOM 0 HG2 LYS B 404 -3.012 -9.704 4.666 1.00 0.00 H new ATOM 0 HG3 LYS B 404 -3.893 -9.717 3.151 1.00 0.00 H new ATOM 0 HD2 LYS B 404 -2.156 -10.993 2.435 1.00 0.00 H new ATOM 0 HD3 LYS B 404 -1.372 -9.443 2.203 1.00 0.00 H new ATOM 0 HE2 LYS B 404 0.149 -10.765 3.469 1.00 0.00 H new ATOM 0 HE3 LYS B 404 -0.532 -9.599 4.585 1.00 0.00 H new ATOM 0 HZ1 LYS B 404 -0.724 -11.505 5.784 1.00 0.00 H new ATOM 0 HZ2 LYS B 404 -2.238 -11.520 5.015 1.00 0.00 H new ATOM 0 HZ3 LYS B 404 -0.977 -12.494 4.427 1.00 0.00 H new ATOM 1332 N SER B 405 -3.289 -7.923 6.335 1.00 0.00 N ATOM 1333 CA SER B 405 -3.575 -8.523 7.633 1.00 0.00 C ATOM 1334 C SER B 405 -4.783 -7.871 8.267 1.00 0.00 C ATOM 1335 O SER B 405 -5.559 -8.521 8.953 1.00 0.00 O ATOM 1336 CB SER B 405 -2.383 -8.328 8.577 1.00 0.00 C ATOM 1337 OG SER B 405 -2.195 -9.457 9.415 1.00 0.00 O ATOM 0 H SER B 405 -2.314 -7.649 6.217 1.00 0.00 H new ATOM 0 HA SER B 405 -3.766 -9.584 7.474 1.00 0.00 H new ATOM 0 HB2 SER B 405 -1.480 -8.152 7.993 1.00 0.00 H new ATOM 0 HB3 SER B 405 -2.544 -7.441 9.190 1.00 0.00 H new ATOM 0 HG SER B 405 -1.427 -9.303 10.004 1.00 0.00 H new ATOM 1343 N LYS B 406 -4.918 -6.577 8.041 1.00 0.00 N ATOM 1344 CA LYS B 406 -5.989 -5.804 8.619 1.00 0.00 C ATOM 1345 C LYS B 406 -7.262 -5.990 7.813 1.00 0.00 C ATOM 1346 O LYS B 406 -8.353 -5.947 8.359 1.00 0.00 O ATOM 1347 CB LYS B 406 -5.604 -4.349 8.666 1.00 0.00 C ATOM 1348 CG LYS B 406 -4.192 -4.122 9.134 1.00 0.00 C ATOM 1349 CD LYS B 406 -3.987 -4.469 10.573 1.00 0.00 C ATOM 1350 CE LYS B 406 -4.965 -3.748 11.458 1.00 0.00 C ATOM 1351 NZ LYS B 406 -4.683 -3.964 12.902 1.00 0.00 N ATOM 0 H LYS B 406 -4.285 -6.037 7.451 1.00 0.00 H new ATOM 0 HA LYS B 406 -6.170 -6.151 9.636 1.00 0.00 H new ATOM 0 HB2 LYS B 406 -5.724 -3.916 7.673 1.00 0.00 H new ATOM 0 HB3 LYS B 406 -6.289 -3.820 9.329 1.00 0.00 H new ATOM 0 HG2 LYS B 406 -3.513 -4.717 8.523 1.00 0.00 H new ATOM 0 HG3 LYS B 406 -3.928 -3.076 8.978 1.00 0.00 H new ATOM 0 HD2 LYS B 406 -4.097 -5.545 10.708 1.00 0.00 H new ATOM 0 HD3 LYS B 406 -2.970 -4.213 10.869 1.00 0.00 H new ATOM 0 HE2 LYS B 406 -4.932 -2.681 11.239 1.00 0.00 H new ATOM 0 HE3 LYS B 406 -5.976 -4.088 11.232 1.00 0.00 H new ATOM 0 HZ1 LYS B 406 -5.317 -3.369 13.472 1.00 0.00 H new ATOM 0 HZ2 LYS B 406 -4.839 -4.964 13.140 1.00 0.00 H new ATOM 0 HZ3 LYS B 406 -3.695 -3.710 13.105 1.00 0.00 H new ATOM 1365 N LEU B 407 -7.114 -6.135 6.500 1.00 0.00 N ATOM 1366 CA LEU B 407 -8.156 -6.703 5.668 1.00 0.00 C ATOM 1367 C LEU B 407 -8.620 -8.008 6.284 1.00 0.00 C ATOM 1368 O LEU B 407 -9.801 -8.217 6.562 1.00 0.00 O ATOM 1369 CB LEU B 407 -7.609 -7.032 4.274 1.00 0.00 C ATOM 1370 CG LEU B 407 -6.992 -5.885 3.491 1.00 0.00 C ATOM 1371 CD1 LEU B 407 -6.895 -6.256 2.044 1.00 0.00 C ATOM 1372 CD2 LEU B 407 -7.881 -4.705 3.638 1.00 0.00 C ATOM 0 H LEU B 407 -6.273 -5.863 5.991 1.00 0.00 H new ATOM 0 HA LEU B 407 -8.969 -5.981 5.593 1.00 0.00 H new ATOM 0 HB2 LEU B 407 -6.857 -7.814 4.380 1.00 0.00 H new ATOM 0 HB3 LEU B 407 -8.422 -7.450 3.680 1.00 0.00 H new ATOM 0 HG LEU B 407 -5.993 -5.664 3.866 1.00 0.00 H new ATOM 0 HD11 LEU B 407 -6.452 -5.431 1.486 1.00 0.00 H new ATOM 0 HD12 LEU B 407 -6.271 -7.143 1.937 1.00 0.00 H new ATOM 0 HD13 LEU B 407 -7.891 -6.464 1.654 1.00 0.00 H new ATOM 0 HD21 LEU B 407 -7.463 -3.864 3.085 1.00 0.00 H new ATOM 0 HD22 LEU B 407 -8.869 -4.943 3.244 1.00 0.00 H new ATOM 0 HD23 LEU B 407 -7.964 -4.441 4.692 1.00 0.00 H new ATOM 1384 N GLU B 408 -7.636 -8.865 6.514 1.00 0.00 N ATOM 1385 CA GLU B 408 -7.836 -10.187 7.071 1.00 0.00 C ATOM 1386 C GLU B 408 -8.303 -10.093 8.515 1.00 0.00 C ATOM 1387 O GLU B 408 -8.742 -11.073 9.114 1.00 0.00 O ATOM 1388 CB GLU B 408 -6.522 -10.974 6.999 1.00 0.00 C ATOM 1389 CG GLU B 408 -5.906 -11.036 5.614 1.00 0.00 C ATOM 1390 CD GLU B 408 -4.695 -11.935 5.556 1.00 0.00 C ATOM 1391 OE1 GLU B 408 -3.604 -11.501 5.977 1.00 0.00 O ATOM 1392 OE2 GLU B 408 -4.828 -13.081 5.083 1.00 0.00 O ATOM 0 H GLU B 408 -6.659 -8.653 6.313 1.00 0.00 H new ATOM 0 HA GLU B 408 -8.603 -10.702 6.493 1.00 0.00 H new ATOM 0 HB2 GLU B 408 -5.804 -10.522 7.683 1.00 0.00 H new ATOM 0 HB3 GLU B 408 -6.701 -11.990 7.350 1.00 0.00 H new ATOM 0 HG2 GLU B 408 -6.653 -11.392 4.904 1.00 0.00 H new ATOM 0 HG3 GLU B 408 -5.623 -10.031 5.301 1.00 0.00 H new ATOM 1399 N ALA B 409 -8.186 -8.899 9.057 1.00 0.00 N ATOM 1400 CA ALA B 409 -8.580 -8.609 10.421 1.00 0.00 C ATOM 1401 C ALA B 409 -9.899 -7.880 10.446 1.00 0.00 C ATOM 1402 O ALA B 409 -10.512 -7.711 11.499 1.00 0.00 O ATOM 1403 CB ALA B 409 -7.489 -7.800 11.130 1.00 0.00 C ATOM 0 H ALA B 409 -7.810 -8.093 8.558 1.00 0.00 H new ATOM 0 HA ALA B 409 -8.706 -9.550 10.957 1.00 0.00 H new ATOM 0 HB1 ALA B 409 -7.799 -7.590 12.154 1.00 0.00 H new ATOM 0 HB2 ALA B 409 -6.561 -8.372 11.142 1.00 0.00 H new ATOM 0 HB3 ALA B 409 -7.329 -6.861 10.599 1.00 0.00 H new ATOM 1409 N ARG B 410 -10.330 -7.455 9.259 1.00 0.00 N ATOM 1410 CA ARG B 410 -11.512 -6.618 9.104 1.00 0.00 C ATOM 1411 C ARG B 410 -11.356 -5.350 9.932 1.00 0.00 C ATOM 1412 O ARG B 410 -12.312 -4.621 10.205 1.00 0.00 O ATOM 1413 CB ARG B 410 -12.770 -7.393 9.491 1.00 0.00 C ATOM 1414 CG ARG B 410 -13.300 -8.295 8.387 1.00 0.00 C ATOM 1415 CD ARG B 410 -12.344 -9.433 8.050 1.00 0.00 C ATOM 1416 NE ARG B 410 -12.207 -10.378 9.160 1.00 0.00 N ATOM 1417 CZ ARG B 410 -11.796 -11.640 9.021 1.00 0.00 C ATOM 1418 NH1 ARG B 410 -11.472 -12.112 7.824 1.00 0.00 N ATOM 1419 NH2 ARG B 410 -11.706 -12.430 10.084 1.00 0.00 N ATOM 0 H ARG B 410 -9.867 -7.683 8.379 1.00 0.00 H new ATOM 0 HA ARG B 410 -11.617 -6.330 8.058 1.00 0.00 H new ATOM 0 HB2 ARG B 410 -12.555 -7.999 10.371 1.00 0.00 H new ATOM 0 HB3 ARG B 410 -13.549 -6.685 9.774 1.00 0.00 H new ATOM 0 HG2 ARG B 410 -14.260 -8.711 8.692 1.00 0.00 H new ATOM 0 HG3 ARG B 410 -13.480 -7.700 7.492 1.00 0.00 H new ATOM 0 HD2 ARG B 410 -12.704 -9.960 7.167 1.00 0.00 H new ATOM 0 HD3 ARG B 410 -11.366 -9.023 7.799 1.00 0.00 H new ATOM 0 HE ARG B 410 -12.440 -10.051 10.098 1.00 0.00 H new ATOM 0 HH11 ARG B 410 -11.536 -11.509 7.004 1.00 0.00 H new ATOM 0 HH12 ARG B 410 -11.159 -13.077 7.724 1.00 0.00 H new ATOM 0 HH21 ARG B 410 -11.951 -12.072 11.007 1.00 0.00 H new ATOM 0 HH22 ARG B 410 -11.392 -13.395 9.977 1.00 0.00 H new ATOM 1433 N GLU B 411 -10.110 -5.122 10.311 1.00 0.00 N ATOM 1434 CA GLU B 411 -9.659 -3.917 10.957 1.00 0.00 C ATOM 1435 C GLU B 411 -9.897 -2.751 10.037 1.00 0.00 C ATOM 1436 O GLU B 411 -10.171 -1.630 10.458 1.00 0.00 O ATOM 1437 CB GLU B 411 -8.186 -4.080 11.245 1.00 0.00 C ATOM 1438 CG GLU B 411 -7.909 -4.805 12.544 1.00 0.00 C ATOM 1439 CD GLU B 411 -8.592 -4.156 13.728 1.00 0.00 C ATOM 1440 OE1 GLU B 411 -8.155 -3.064 14.144 1.00 0.00 O ATOM 1441 OE2 GLU B 411 -9.582 -4.729 14.235 1.00 0.00 O ATOM 0 H GLU B 411 -9.362 -5.801 10.169 1.00 0.00 H new ATOM 0 HA GLU B 411 -10.198 -3.735 11.887 1.00 0.00 H new ATOM 0 HB2 GLU B 411 -7.720 -4.627 10.425 1.00 0.00 H new ATOM 0 HB3 GLU B 411 -7.718 -3.096 11.279 1.00 0.00 H new ATOM 0 HG2 GLU B 411 -8.244 -5.839 12.458 1.00 0.00 H new ATOM 0 HG3 GLU B 411 -6.833 -4.832 12.719 1.00 0.00 H new ATOM 1448 N TYR B 412 -9.785 -3.053 8.766 1.00 0.00 N ATOM 1449 CA TYR B 412 -10.167 -2.140 7.735 1.00 0.00 C ATOM 1450 C TYR B 412 -11.640 -2.283 7.537 1.00 0.00 C ATOM 1451 O TYR B 412 -12.133 -3.344 7.209 1.00 0.00 O ATOM 1452 CB TYR B 412 -9.327 -2.363 6.475 1.00 0.00 C ATOM 1453 CG TYR B 412 -7.879 -2.022 6.706 1.00 0.00 C ATOM 1454 CD1 TYR B 412 -7.463 -1.575 7.947 1.00 0.00 C ATOM 1455 CD2 TYR B 412 -6.931 -2.164 5.709 1.00 0.00 C ATOM 1456 CE1 TYR B 412 -6.145 -1.282 8.192 1.00 0.00 C ATOM 1457 CE2 TYR B 412 -5.608 -1.866 5.947 1.00 0.00 C ATOM 1458 CZ TYR B 412 -5.222 -1.428 7.190 1.00 0.00 C ATOM 1459 OH TYR B 412 -3.910 -1.142 7.438 1.00 0.00 O ATOM 0 H TYR B 412 -9.424 -3.944 8.424 1.00 0.00 H new ATOM 0 HA TYR B 412 -9.967 -1.105 8.011 1.00 0.00 H new ATOM 0 HB2 TYR B 412 -9.411 -3.403 6.161 1.00 0.00 H new ATOM 0 HB3 TYR B 412 -9.720 -1.752 5.662 1.00 0.00 H new ATOM 0 HD1 TYR B 412 -8.189 -1.454 8.738 1.00 0.00 H new ATOM 0 HD2 TYR B 412 -7.232 -2.513 4.732 1.00 0.00 H new ATOM 0 HE1 TYR B 412 -5.837 -0.938 9.169 1.00 0.00 H new ATOM 0 HE2 TYR B 412 -4.877 -1.976 5.160 1.00 0.00 H new ATOM 0 HH TYR B 412 -3.844 -0.274 7.888 1.00 0.00 H new ATOM 1469 N ARG B 413 -12.334 -1.237 7.949 1.00 0.00 N ATOM 1470 CA ARG B 413 -13.771 -1.142 7.778 1.00 0.00 C ATOM 1471 C ARG B 413 -14.117 -1.297 6.335 1.00 0.00 C ATOM 1472 O ARG B 413 -15.021 -2.044 5.978 1.00 0.00 O ATOM 1473 CB ARG B 413 -14.304 0.179 8.292 1.00 0.00 C ATOM 1474 CG ARG B 413 -13.743 0.514 9.637 1.00 0.00 C ATOM 1475 CD ARG B 413 -12.741 1.620 9.544 1.00 0.00 C ATOM 1476 NE ARG B 413 -11.982 1.782 10.779 1.00 0.00 N ATOM 1477 CZ ARG B 413 -10.940 2.602 10.919 1.00 0.00 C ATOM 1478 NH1 ARG B 413 -10.547 3.370 9.908 1.00 0.00 N ATOM 1479 NH2 ARG B 413 -10.288 2.649 12.073 1.00 0.00 N ATOM 0 H ARG B 413 -11.916 -0.430 8.412 1.00 0.00 H new ATOM 0 HA ARG B 413 -14.234 -1.941 8.357 1.00 0.00 H new ATOM 0 HB2 ARG B 413 -14.056 0.971 7.586 1.00 0.00 H new ATOM 0 HB3 ARG B 413 -15.391 0.135 8.352 1.00 0.00 H new ATOM 0 HG2 ARG B 413 -14.550 0.807 10.308 1.00 0.00 H new ATOM 0 HG3 ARG B 413 -13.274 -0.370 10.069 1.00 0.00 H new ATOM 0 HD2 ARG B 413 -12.055 1.418 8.722 1.00 0.00 H new ATOM 0 HD3 ARG B 413 -13.253 2.553 9.309 1.00 0.00 H new ATOM 0 HE ARG B 413 -12.267 1.232 11.589 1.00 0.00 H new ATOM 0 HH11 ARG B 413 -11.043 3.335 9.018 1.00 0.00 H new ATOM 0 HH12 ARG B 413 -9.749 3.995 10.022 1.00 0.00 H new ATOM 0 HH21 ARG B 413 -10.584 2.059 12.850 1.00 0.00 H new ATOM 0 HH22 ARG B 413 -9.490 3.275 12.183 1.00 0.00 H new ATOM 1493 N ASP B 414 -13.346 -0.619 5.514 1.00 0.00 N ATOM 1494 CA ASP B 414 -13.548 -0.630 4.085 1.00 0.00 C ATOM 1495 C ASP B 414 -12.238 -0.412 3.407 1.00 0.00 C ATOM 1496 O ASP B 414 -11.181 -0.409 4.030 1.00 0.00 O ATOM 1497 CB ASP B 414 -14.597 0.410 3.640 1.00 0.00 C ATOM 1498 CG ASP B 414 -14.139 1.853 3.687 1.00 0.00 C ATOM 1499 OD1 ASP B 414 -13.431 2.291 2.760 1.00 0.00 O ATOM 1500 OD2 ASP B 414 -14.548 2.575 4.620 1.00 0.00 O ATOM 0 H ASP B 414 -12.561 -0.044 5.820 1.00 0.00 H new ATOM 0 HA ASP B 414 -13.946 -1.603 3.795 1.00 0.00 H new ATOM 0 HB2 ASP B 414 -14.906 0.177 2.621 1.00 0.00 H new ATOM 0 HB3 ASP B 414 -15.479 0.305 4.272 1.00 0.00 H new ATOM 1505 N ALA B 415 -12.319 -0.259 2.129 1.00 0.00 N ATOM 1506 CA ALA B 415 -11.175 -0.355 1.290 1.00 0.00 C ATOM 1507 C ALA B 415 -10.340 0.905 1.329 1.00 0.00 C ATOM 1508 O ALA B 415 -9.239 0.942 0.791 1.00 0.00 O ATOM 1509 CB ALA B 415 -11.651 -0.615 -0.095 1.00 0.00 C ATOM 0 H ALA B 415 -13.189 -0.062 1.634 1.00 0.00 H new ATOM 0 HA ALA B 415 -10.536 -1.165 1.642 1.00 0.00 H new ATOM 0 HB1 ALA B 415 -10.795 -0.694 -0.765 1.00 0.00 H new ATOM 0 HB2 ALA B 415 -12.216 -1.547 -0.117 1.00 0.00 H new ATOM 0 HB3 ALA B 415 -12.291 0.205 -0.420 1.00 0.00 H new ATOM 1515 N GLN B 416 -10.835 1.937 1.971 1.00 0.00 N ATOM 1516 CA GLN B 416 -10.110 3.183 1.978 1.00 0.00 C ATOM 1517 C GLN B 416 -9.269 3.244 3.231 1.00 0.00 C ATOM 1518 O GLN B 416 -8.327 4.016 3.323 1.00 0.00 O ATOM 1519 CB GLN B 416 -11.051 4.367 1.843 1.00 0.00 C ATOM 1520 CG GLN B 416 -11.515 4.569 0.424 1.00 0.00 C ATOM 1521 CD GLN B 416 -12.784 5.379 0.321 1.00 0.00 C ATOM 1522 OE1 GLN B 416 -13.060 6.242 1.158 1.00 0.00 O ATOM 1523 NE2 GLN B 416 -13.561 5.110 -0.712 1.00 0.00 N ATOM 0 H GLN B 416 -11.717 1.940 2.484 1.00 0.00 H new ATOM 0 HA GLN B 416 -9.446 3.235 1.115 1.00 0.00 H new ATOM 0 HB2 GLN B 416 -11.917 4.216 2.488 1.00 0.00 H new ATOM 0 HB3 GLN B 416 -10.548 5.269 2.191 1.00 0.00 H new ATOM 0 HG2 GLN B 416 -10.727 5.067 -0.141 1.00 0.00 H new ATOM 0 HG3 GLN B 416 -11.674 3.596 -0.041 1.00 0.00 H new ATOM 0 HE21 GLN B 416 -13.291 4.387 -1.379 1.00 0.00 H new ATOM 0 HE22 GLN B 416 -14.431 5.625 -0.843 1.00 0.00 H new ATOM 1532 N GLU B 417 -9.663 2.434 4.204 1.00 0.00 N ATOM 1533 CA GLU B 417 -8.755 1.922 5.212 1.00 0.00 C ATOM 1534 C GLU B 417 -7.594 1.273 4.498 1.00 0.00 C ATOM 1535 O GLU B 417 -6.420 1.577 4.733 1.00 0.00 O ATOM 1536 CB GLU B 417 -9.471 0.838 5.999 1.00 0.00 C ATOM 1537 CG GLU B 417 -10.459 1.318 7.045 1.00 0.00 C ATOM 1538 CD GLU B 417 -11.324 2.469 6.595 1.00 0.00 C ATOM 1539 OE1 GLU B 417 -11.944 2.362 5.533 1.00 0.00 O ATOM 1540 OE2 GLU B 417 -11.398 3.482 7.323 1.00 0.00 O ATOM 0 H GLU B 417 -10.625 2.114 4.314 1.00 0.00 H new ATOM 0 HA GLU B 417 -8.422 2.724 5.871 1.00 0.00 H new ATOM 0 HB2 GLU B 417 -10.001 0.196 5.295 1.00 0.00 H new ATOM 0 HB3 GLU B 417 -8.721 0.220 6.493 1.00 0.00 H new ATOM 0 HG2 GLU B 417 -11.101 0.485 7.331 1.00 0.00 H new ATOM 0 HG3 GLU B 417 -9.910 1.618 7.937 1.00 0.00 H new ATOM 1547 N PHE B 418 -7.974 0.378 3.599 1.00 0.00 N ATOM 1548 CA PHE B 418 -7.044 -0.414 2.845 1.00 0.00 C ATOM 1549 C PHE B 418 -6.023 0.440 2.121 1.00 0.00 C ATOM 1550 O PHE B 418 -4.831 0.412 2.430 1.00 0.00 O ATOM 1551 CB PHE B 418 -7.785 -1.299 1.851 1.00 0.00 C ATOM 1552 CG PHE B 418 -6.861 -1.915 0.855 1.00 0.00 C ATOM 1553 CD1 PHE B 418 -6.140 -3.023 1.191 1.00 0.00 C ATOM 1554 CD2 PHE B 418 -6.707 -1.379 -0.412 1.00 0.00 C ATOM 1555 CE1 PHE B 418 -5.293 -3.596 0.302 1.00 0.00 C ATOM 1556 CE2 PHE B 418 -5.853 -1.952 -1.319 1.00 0.00 C ATOM 1557 CZ PHE B 418 -5.143 -3.066 -0.964 1.00 0.00 C ATOM 0 H PHE B 418 -8.951 0.187 3.378 1.00 0.00 H new ATOM 0 HA PHE B 418 -6.504 -1.041 3.555 1.00 0.00 H new ATOM 0 HB2 PHE B 418 -8.314 -2.085 2.390 1.00 0.00 H new ATOM 0 HB3 PHE B 418 -8.538 -0.708 1.330 1.00 0.00 H new ATOM 0 HD1 PHE B 418 -6.246 -3.449 2.178 1.00 0.00 H new ATOM 0 HD2 PHE B 418 -7.267 -0.498 -0.690 1.00 0.00 H new ATOM 0 HE1 PHE B 418 -4.731 -4.474 0.586 1.00 0.00 H new ATOM 0 HE2 PHE B 418 -5.742 -1.527 -2.306 1.00 0.00 H new ATOM 0 HZ PHE B 418 -4.469 -3.528 -1.670 1.00 0.00 H new ATOM 1567 N GLY B 419 -6.500 1.201 1.163 1.00 0.00 N ATOM 1568 CA GLY B 419 -5.612 1.963 0.325 1.00 0.00 C ATOM 1569 C GLY B 419 -4.978 3.110 1.044 1.00 0.00 C ATOM 1570 O GLY B 419 -4.032 3.709 0.544 1.00 0.00 O ATOM 0 H GLY B 419 -7.491 1.307 0.948 1.00 0.00 H new ATOM 0 HA2 GLY B 419 -4.832 1.307 -0.061 1.00 0.00 H new ATOM 0 HA3 GLY B 419 -6.166 2.340 -0.535 1.00 0.00 H new ATOM 1574 N ALA B 420 -5.485 3.407 2.223 1.00 0.00 N ATOM 1575 CA ALA B 420 -4.867 4.389 3.073 1.00 0.00 C ATOM 1576 C ALA B 420 -3.475 3.921 3.438 1.00 0.00 C ATOM 1577 O ALA B 420 -2.516 4.693 3.432 1.00 0.00 O ATOM 1578 CB ALA B 420 -5.701 4.603 4.322 1.00 0.00 C ATOM 0 H ALA B 420 -6.326 2.978 2.610 1.00 0.00 H new ATOM 0 HA ALA B 420 -4.800 5.340 2.544 1.00 0.00 H new ATOM 0 HB1 ALA B 420 -5.222 5.349 4.956 1.00 0.00 H new ATOM 0 HB2 ALA B 420 -6.695 4.951 4.041 1.00 0.00 H new ATOM 0 HB3 ALA B 420 -5.787 3.663 4.868 1.00 0.00 H new ATOM 1584 N ASP B 421 -3.375 2.637 3.733 1.00 0.00 N ATOM 1585 CA ASP B 421 -2.107 2.024 4.042 1.00 0.00 C ATOM 1586 C ASP B 421 -1.308 1.717 2.773 1.00 0.00 C ATOM 1587 O ASP B 421 -0.102 1.862 2.782 1.00 0.00 O ATOM 1588 CB ASP B 421 -2.332 0.788 4.894 1.00 0.00 C ATOM 1589 CG ASP B 421 -2.583 1.161 6.343 1.00 0.00 C ATOM 1590 OD1 ASP B 421 -3.747 1.432 6.701 1.00 0.00 O ATOM 1591 OD2 ASP B 421 -1.631 1.183 7.137 1.00 0.00 O ATOM 0 H ASP B 421 -4.169 1.998 3.764 1.00 0.00 H new ATOM 0 HA ASP B 421 -1.504 2.727 4.617 1.00 0.00 H new ATOM 0 HB2 ASP B 421 -3.182 0.226 4.507 1.00 0.00 H new ATOM 0 HB3 ASP B 421 -1.462 0.135 4.829 1.00 0.00 H new ATOM 1596 N VAL B 422 -1.944 1.304 1.669 1.00 0.00 N ATOM 1597 CA VAL B 422 -1.217 1.211 0.407 1.00 0.00 C ATOM 1598 C VAL B 422 -0.558 2.550 0.075 1.00 0.00 C ATOM 1599 O VAL B 422 0.626 2.609 -0.238 1.00 0.00 O ATOM 1600 CB VAL B 422 -2.103 0.835 -0.786 1.00 0.00 C ATOM 1601 CG1 VAL B 422 -1.215 0.413 -1.909 1.00 0.00 C ATOM 1602 CG2 VAL B 422 -3.041 -0.293 -0.471 1.00 0.00 C ATOM 0 H VAL B 422 -2.928 1.038 1.626 1.00 0.00 H new ATOM 0 HA VAL B 422 -0.482 0.420 0.556 1.00 0.00 H new ATOM 0 HB VAL B 422 -2.707 1.705 -1.046 1.00 0.00 H new ATOM 0 HG11 VAL B 422 -1.823 0.140 -2.771 1.00 0.00 H new ATOM 0 HG12 VAL B 422 -0.553 1.236 -2.178 1.00 0.00 H new ATOM 0 HG13 VAL B 422 -0.619 -0.446 -1.599 1.00 0.00 H new ATOM 0 HG21 VAL B 422 -3.645 -0.520 -1.349 1.00 0.00 H new ATOM 0 HG22 VAL B 422 -2.467 -1.175 -0.188 1.00 0.00 H new ATOM 0 HG23 VAL B 422 -3.693 -0.005 0.353 1.00 0.00 H new ATOM 1612 N ARG B 423 -1.344 3.618 0.137 1.00 0.00 N ATOM 1613 CA ARG B 423 -0.834 4.965 -0.114 1.00 0.00 C ATOM 1614 C ARG B 423 0.234 5.339 0.907 1.00 0.00 C ATOM 1615 O ARG B 423 1.202 6.006 0.564 1.00 0.00 O ATOM 1616 CB ARG B 423 -1.959 6.006 -0.106 1.00 0.00 C ATOM 1617 CG ARG B 423 -2.914 5.904 -1.289 1.00 0.00 C ATOM 1618 CD ARG B 423 -2.187 6.008 -2.625 1.00 0.00 C ATOM 1619 NE ARG B 423 -1.401 7.237 -2.737 1.00 0.00 N ATOM 1620 CZ ARG B 423 -0.836 7.666 -3.867 1.00 0.00 C ATOM 1621 NH1 ARG B 423 -0.978 6.976 -4.993 1.00 0.00 N ATOM 1622 NH2 ARG B 423 -0.132 8.790 -3.868 1.00 0.00 N ATOM 0 H ARG B 423 -2.339 3.580 0.359 1.00 0.00 H new ATOM 0 HA ARG B 423 -0.386 4.961 -1.108 1.00 0.00 H new ATOM 0 HB2 ARG B 423 -2.529 5.901 0.817 1.00 0.00 H new ATOM 0 HB3 ARG B 423 -1.517 7.002 -0.096 1.00 0.00 H new ATOM 0 HG2 ARG B 423 -3.449 4.956 -1.241 1.00 0.00 H new ATOM 0 HG3 ARG B 423 -3.661 6.695 -1.221 1.00 0.00 H new ATOM 0 HD2 ARG B 423 -1.530 5.147 -2.746 1.00 0.00 H new ATOM 0 HD3 ARG B 423 -2.915 5.970 -3.436 1.00 0.00 H new ATOM 0 HE ARG B 423 -1.277 7.802 -1.897 1.00 0.00 H new ATOM 0 HH11 ARG B 423 -1.521 6.113 -4.997 1.00 0.00 H new ATOM 0 HH12 ARG B 423 -0.544 7.309 -5.854 1.00 0.00 H new ATOM 0 HH21 ARG B 423 -0.023 9.325 -3.006 1.00 0.00 H new ATOM 0 HH22 ARG B 423 0.301 9.120 -4.731 1.00 0.00 H new ATOM 1636 N LEU B 424 0.045 4.921 2.157 1.00 0.00 N ATOM 1637 CA LEU B 424 1.061 5.032 3.175 1.00 0.00 C ATOM 1638 C LEU B 424 2.333 4.327 2.733 1.00 0.00 C ATOM 1639 O LEU B 424 3.413 4.909 2.712 1.00 0.00 O ATOM 1640 CB LEU B 424 0.560 4.373 4.438 1.00 0.00 C ATOM 1641 CG LEU B 424 1.551 4.414 5.528 1.00 0.00 C ATOM 1642 CD1 LEU B 424 1.909 5.815 5.855 1.00 0.00 C ATOM 1643 CD2 LEU B 424 1.062 3.712 6.716 1.00 0.00 C ATOM 0 H LEU B 424 -0.823 4.496 2.483 1.00 0.00 H new ATOM 0 HA LEU B 424 1.276 6.087 3.348 1.00 0.00 H new ATOM 0 HB2 LEU B 424 -0.355 4.868 4.764 1.00 0.00 H new ATOM 0 HB3 LEU B 424 0.302 3.336 4.225 1.00 0.00 H new ATOM 0 HG LEU B 424 2.449 3.900 5.185 1.00 0.00 H new ATOM 0 HD11 LEU B 424 2.642 5.824 6.662 1.00 0.00 H new ATOM 0 HD12 LEU B 424 2.333 6.297 4.974 1.00 0.00 H new ATOM 0 HD13 LEU B 424 1.016 6.355 6.170 1.00 0.00 H new ATOM 0 HD21 LEU B 424 1.815 3.760 7.503 1.00 0.00 H new ATOM 0 HD22 LEU B 424 0.143 4.183 7.065 1.00 0.00 H new ATOM 0 HD23 LEU B 424 0.863 2.670 6.467 1.00 0.00 H new ATOM 1655 N MET B 425 2.157 3.063 2.404 1.00 0.00 N ATOM 1656 CA MET B 425 3.213 2.176 1.939 1.00 0.00 C ATOM 1657 C MET B 425 3.996 2.792 0.814 1.00 0.00 C ATOM 1658 O MET B 425 5.227 2.828 0.827 1.00 0.00 O ATOM 1659 CB MET B 425 2.554 0.864 1.498 1.00 0.00 C ATOM 1660 CG MET B 425 3.445 -0.135 0.790 1.00 0.00 C ATOM 1661 SD MET B 425 2.767 -1.779 0.921 1.00 0.00 S ATOM 1662 CE MET B 425 1.356 -1.585 -0.140 1.00 0.00 C ATOM 0 H MET B 425 1.246 2.607 2.453 1.00 0.00 H new ATOM 0 HA MET B 425 3.925 1.992 2.744 1.00 0.00 H new ATOM 0 HB2 MET B 425 2.133 0.381 2.379 1.00 0.00 H new ATOM 0 HB3 MET B 425 1.721 1.106 0.838 1.00 0.00 H new ATOM 0 HG2 MET B 425 3.547 0.140 -0.260 1.00 0.00 H new ATOM 0 HG3 MET B 425 4.444 -0.112 1.224 1.00 0.00 H new ATOM 0 HE1 MET B 425 0.473 -1.994 0.351 1.00 0.00 H new ATOM 0 HE2 MET B 425 1.199 -0.526 -0.346 1.00 0.00 H new ATOM 0 HE3 MET B 425 1.529 -2.115 -1.076 1.00 0.00 H new ATOM 1672 N PHE B 426 3.274 3.269 -0.158 1.00 0.00 N ATOM 1673 CA PHE B 426 3.883 3.955 -1.266 1.00 0.00 C ATOM 1674 C PHE B 426 4.527 5.268 -0.804 1.00 0.00 C ATOM 1675 O PHE B 426 5.606 5.636 -1.265 1.00 0.00 O ATOM 1676 CB PHE B 426 2.841 4.224 -2.335 1.00 0.00 C ATOM 1677 CG PHE B 426 2.214 2.990 -2.940 1.00 0.00 C ATOM 1678 CD1 PHE B 426 2.678 1.710 -2.640 1.00 0.00 C ATOM 1679 CD2 PHE B 426 1.151 3.116 -3.820 1.00 0.00 C ATOM 1680 CE1 PHE B 426 2.089 0.596 -3.206 1.00 0.00 C ATOM 1681 CE2 PHE B 426 0.566 2.004 -4.385 1.00 0.00 C ATOM 1682 CZ PHE B 426 1.038 0.745 -4.074 1.00 0.00 C ATOM 0 H PHE B 426 2.258 3.196 -0.208 1.00 0.00 H new ATOM 0 HA PHE B 426 4.667 3.323 -1.683 1.00 0.00 H new ATOM 0 HB2 PHE B 426 2.052 4.841 -1.905 1.00 0.00 H new ATOM 0 HB3 PHE B 426 3.302 4.807 -3.132 1.00 0.00 H new ATOM 0 HD1 PHE B 426 3.507 1.588 -1.958 1.00 0.00 H new ATOM 0 HD2 PHE B 426 0.776 4.099 -4.066 1.00 0.00 H new ATOM 0 HE1 PHE B 426 2.456 -0.391 -2.965 1.00 0.00 H new ATOM 0 HE2 PHE B 426 -0.261 2.117 -5.070 1.00 0.00 H new ATOM 0 HZ PHE B 426 0.578 -0.126 -4.516 1.00 0.00 H new ATOM 1692 N SER B 427 3.864 5.956 0.120 1.00 0.00 N ATOM 1693 CA SER B 427 4.346 7.232 0.639 1.00 0.00 C ATOM 1694 C SER B 427 5.701 7.075 1.320 1.00 0.00 C ATOM 1695 O SER B 427 6.683 7.680 0.886 1.00 0.00 O ATOM 1696 CB SER B 427 3.330 7.823 1.621 1.00 0.00 C ATOM 1697 OG SER B 427 3.799 9.034 2.187 1.00 0.00 O ATOM 0 H SER B 427 2.982 5.647 0.529 1.00 0.00 H new ATOM 0 HA SER B 427 4.467 7.913 -0.204 1.00 0.00 H new ATOM 0 HB2 SER B 427 2.386 8.002 1.106 1.00 0.00 H new ATOM 0 HB3 SER B 427 3.128 7.103 2.414 1.00 0.00 H new ATOM 0 HG SER B 427 3.128 9.387 2.808 1.00 0.00 H new ATOM 1703 N ASN B 428 5.754 6.245 2.370 1.00 0.00 N ATOM 1704 CA ASN B 428 6.996 6.020 3.116 1.00 0.00 C ATOM 1705 C ASN B 428 8.095 5.585 2.171 1.00 0.00 C ATOM 1706 O ASN B 428 9.269 5.887 2.389 1.00 0.00 O ATOM 1707 CB ASN B 428 6.808 4.989 4.243 1.00 0.00 C ATOM 1708 CG ASN B 428 6.487 3.583 3.768 1.00 0.00 C ATOM 1709 OD1 ASN B 428 5.331 3.184 3.735 1.00 0.00 O ATOM 1710 ND2 ASN B 428 7.505 2.814 3.409 1.00 0.00 N ATOM 0 H ASN B 428 4.953 5.720 2.720 1.00 0.00 H new ATOM 0 HA ASN B 428 7.281 6.962 3.586 1.00 0.00 H new ATOM 0 HB2 ASN B 428 7.717 4.957 4.843 1.00 0.00 H new ATOM 0 HB3 ASN B 428 6.006 5.329 4.898 1.00 0.00 H new ATOM 0 HD21 ASN B 428 7.336 1.859 3.093 1.00 0.00 H new ATOM 0 HD22 ASN B 428 8.457 3.177 3.448 1.00 0.00 H new ATOM 1717 N CYS B 429 7.711 4.919 1.097 1.00 0.00 N ATOM 1718 CA CYS B 429 8.670 4.499 0.109 1.00 0.00 C ATOM 1719 C CYS B 429 9.328 5.706 -0.565 1.00 0.00 C ATOM 1720 O CYS B 429 10.543 5.840 -0.520 1.00 0.00 O ATOM 1721 CB CYS B 429 8.033 3.569 -0.926 1.00 0.00 C ATOM 1722 SG CYS B 429 9.128 3.139 -2.297 1.00 0.00 S ATOM 0 H CYS B 429 6.745 4.662 0.893 1.00 0.00 H new ATOM 0 HA CYS B 429 9.449 3.935 0.622 1.00 0.00 H new ATOM 0 HB2 CYS B 429 7.713 2.653 -0.429 1.00 0.00 H new ATOM 0 HB3 CYS B 429 7.137 4.045 -1.325 1.00 0.00 H new ATOM 0 HG CYS B 429 8.944 3.973 -3.277 1.00 0.00 H new ATOM 1728 N TYR B 430 8.547 6.616 -1.149 1.00 0.00 N ATOM 1729 CA TYR B 430 9.156 7.712 -1.909 1.00 0.00 C ATOM 1730 C TYR B 430 9.760 8.770 -0.989 1.00 0.00 C ATOM 1731 O TYR B 430 10.535 9.614 -1.439 1.00 0.00 O ATOM 1732 CB TYR B 430 8.190 8.404 -2.873 1.00 0.00 C ATOM 1733 CG TYR B 430 7.088 7.547 -3.438 1.00 0.00 C ATOM 1734 CD1 TYR B 430 7.349 6.294 -3.963 1.00 0.00 C ATOM 1735 CD2 TYR B 430 5.781 8.017 -3.469 1.00 0.00 C ATOM 1736 CE1 TYR B 430 6.338 5.532 -4.502 1.00 0.00 C ATOM 1737 CE2 TYR B 430 4.764 7.255 -4.004 1.00 0.00 C ATOM 1738 CZ TYR B 430 5.052 6.012 -4.519 1.00 0.00 C ATOM 1739 OH TYR B 430 4.054 5.246 -5.063 1.00 0.00 O ATOM 0 H TYR B 430 7.528 6.621 -1.115 1.00 0.00 H new ATOM 0 HA TYR B 430 9.938 7.234 -2.499 1.00 0.00 H new ATOM 0 HB2 TYR B 430 7.736 9.249 -2.355 1.00 0.00 H new ATOM 0 HB3 TYR B 430 8.767 8.811 -3.703 1.00 0.00 H new ATOM 0 HD1 TYR B 430 8.358 5.909 -3.950 1.00 0.00 H new ATOM 0 HD2 TYR B 430 5.558 8.995 -3.068 1.00 0.00 H new ATOM 0 HE1 TYR B 430 6.556 4.557 -4.911 1.00 0.00 H new ATOM 0 HE2 TYR B 430 3.751 7.630 -4.019 1.00 0.00 H new ATOM 0 HH TYR B 430 3.858 5.561 -5.970 1.00 0.00 H new ATOM 1749 N LYS B 431 9.390 8.758 0.287 1.00 0.00 N ATOM 1750 CA LYS B 431 10.047 9.634 1.254 1.00 0.00 C ATOM 1751 C LYS B 431 11.508 9.279 1.309 1.00 0.00 C ATOM 1752 O LYS B 431 12.396 10.123 1.172 1.00 0.00 O ATOM 1753 CB LYS B 431 9.505 9.446 2.662 1.00 0.00 C ATOM 1754 CG LYS B 431 8.006 9.450 2.784 1.00 0.00 C ATOM 1755 CD LYS B 431 7.594 9.611 4.230 1.00 0.00 C ATOM 1756 CE LYS B 431 8.519 8.859 5.186 1.00 0.00 C ATOM 1757 NZ LYS B 431 8.149 9.151 6.589 1.00 0.00 N ATOM 0 H LYS B 431 8.654 8.165 0.672 1.00 0.00 H new ATOM 0 HA LYS B 431 9.871 10.660 0.932 1.00 0.00 H new ATOM 0 HB2 LYS B 431 9.882 8.501 3.055 1.00 0.00 H new ATOM 0 HB3 LYS B 431 9.906 10.237 3.296 1.00 0.00 H new ATOM 0 HG2 LYS B 431 7.589 10.262 2.188 1.00 0.00 H new ATOM 0 HG3 LYS B 431 7.600 8.520 2.385 1.00 0.00 H new ATOM 0 HD2 LYS B 431 7.592 10.670 4.489 1.00 0.00 H new ATOM 0 HD3 LYS B 431 6.573 9.250 4.357 1.00 0.00 H new ATOM 0 HE2 LYS B 431 8.453 7.787 5.000 1.00 0.00 H new ATOM 0 HE3 LYS B 431 9.554 9.150 5.007 1.00 0.00 H new ATOM 0 HZ1 LYS B 431 8.968 8.979 7.207 1.00 0.00 H new ATOM 0 HZ2 LYS B 431 7.856 10.146 6.671 1.00 0.00 H new ATOM 0 HZ3 LYS B 431 7.363 8.534 6.876 1.00 0.00 H new ATOM 1771 N TYR B 432 11.726 7.998 1.520 1.00 0.00 N ATOM 1772 CA TYR B 432 13.043 7.449 1.671 1.00 0.00 C ATOM 1773 C TYR B 432 13.740 7.401 0.315 1.00 0.00 C ATOM 1774 O TYR B 432 14.924 7.727 0.183 1.00 0.00 O ATOM 1775 CB TYR B 432 12.933 6.037 2.253 1.00 0.00 C ATOM 1776 CG TYR B 432 14.217 5.551 2.858 1.00 0.00 C ATOM 1777 CD1 TYR B 432 15.439 5.808 2.267 1.00 0.00 C ATOM 1778 CD2 TYR B 432 14.202 4.818 4.014 1.00 0.00 C ATOM 1779 CE1 TYR B 432 16.608 5.351 2.822 1.00 0.00 C ATOM 1780 CE2 TYR B 432 15.364 4.354 4.568 1.00 0.00 C ATOM 1781 CZ TYR B 432 16.569 4.622 3.972 1.00 0.00 C ATOM 1782 OH TYR B 432 17.737 4.168 4.537 1.00 0.00 O ATOM 0 H TYR B 432 10.980 7.306 1.591 1.00 0.00 H new ATOM 0 HA TYR B 432 13.628 8.075 2.345 1.00 0.00 H new ATOM 0 HB2 TYR B 432 12.152 6.023 3.013 1.00 0.00 H new ATOM 0 HB3 TYR B 432 12.625 5.349 1.466 1.00 0.00 H new ATOM 0 HD1 TYR B 432 15.475 6.379 1.351 1.00 0.00 H new ATOM 0 HD2 TYR B 432 13.260 4.603 4.496 1.00 0.00 H new ATOM 0 HE1 TYR B 432 17.554 5.568 2.349 1.00 0.00 H new ATOM 0 HE2 TYR B 432 15.332 3.774 5.479 1.00 0.00 H new ATOM 0 HH TYR B 432 18.161 4.894 5.040 1.00 0.00 H new ATOM 1792 N ASN B 433 12.991 7.001 -0.687 1.00 0.00 N ATOM 1793 CA ASN B 433 13.563 6.693 -1.979 1.00 0.00 C ATOM 1794 C ASN B 433 13.309 7.775 -3.019 1.00 0.00 C ATOM 1795 O ASN B 433 12.189 8.256 -3.183 1.00 0.00 O ATOM 1796 CB ASN B 433 12.992 5.387 -2.509 1.00 0.00 C ATOM 1797 CG ASN B 433 13.219 4.217 -1.594 1.00 0.00 C ATOM 1798 OD1 ASN B 433 14.251 3.583 -1.651 1.00 0.00 O ATOM 1799 ND2 ASN B 433 12.245 3.906 -0.766 1.00 0.00 N ATOM 0 H ASN B 433 11.980 6.881 -0.632 1.00 0.00 H new ATOM 0 HA ASN B 433 14.639 6.618 -1.820 1.00 0.00 H new ATOM 0 HB2 ASN B 433 11.921 5.508 -2.672 1.00 0.00 H new ATOM 0 HB3 ASN B 433 13.440 5.171 -3.479 1.00 0.00 H new ATOM 0 HD21 ASN B 433 12.343 3.106 -0.141 1.00 0.00 H new ATOM 0 HD22 ASN B 433 11.392 4.465 -0.749 1.00 0.00 H new ATOM 1806 N PRO B 434 14.366 8.148 -3.745 1.00 0.00 N ATOM 1807 CA PRO B 434 14.266 8.956 -4.968 1.00 0.00 C ATOM 1808 C PRO B 434 13.589 8.162 -6.082 1.00 0.00 C ATOM 1809 O PRO B 434 13.638 6.938 -6.079 1.00 0.00 O ATOM 1810 CB PRO B 434 15.735 9.198 -5.328 1.00 0.00 C ATOM 1811 CG PRO B 434 16.443 8.038 -4.731 1.00 0.00 C ATOM 1812 CD PRO B 434 15.763 7.817 -3.429 1.00 0.00 C ATOM 0 HA PRO B 434 13.683 9.867 -4.836 1.00 0.00 H new ATOM 0 HB2 PRO B 434 15.880 9.243 -6.407 1.00 0.00 H new ATOM 0 HB3 PRO B 434 16.097 10.141 -4.919 1.00 0.00 H new ATOM 0 HG2 PRO B 434 16.372 7.158 -5.370 1.00 0.00 H new ATOM 0 HG3 PRO B 434 17.504 8.248 -4.594 1.00 0.00 H new ATOM 0 HD2 PRO B 434 15.869 6.788 -3.084 1.00 0.00 H new ATOM 0 HD3 PRO B 434 16.166 8.459 -2.646 1.00 0.00 H new ATOM 1820 N PRO B 435 12.975 8.831 -7.068 1.00 0.00 N ATOM 1821 CA PRO B 435 12.235 8.148 -8.140 1.00 0.00 C ATOM 1822 C PRO B 435 13.138 7.468 -9.168 1.00 0.00 C ATOM 1823 O PRO B 435 12.661 6.928 -10.164 1.00 0.00 O ATOM 1824 CB PRO B 435 11.442 9.277 -8.788 1.00 0.00 C ATOM 1825 CG PRO B 435 12.258 10.501 -8.545 1.00 0.00 C ATOM 1826 CD PRO B 435 12.939 10.298 -7.217 1.00 0.00 C ATOM 0 HA PRO B 435 11.623 7.337 -7.746 1.00 0.00 H new ATOM 0 HB2 PRO B 435 11.301 9.100 -9.854 1.00 0.00 H new ATOM 0 HB3 PRO B 435 10.450 9.368 -8.346 1.00 0.00 H new ATOM 0 HG2 PRO B 435 12.990 10.644 -9.340 1.00 0.00 H new ATOM 0 HG3 PRO B 435 11.629 11.391 -8.527 1.00 0.00 H new ATOM 0 HD2 PRO B 435 13.941 10.727 -7.210 1.00 0.00 H new ATOM 0 HD3 PRO B 435 12.385 10.770 -6.406 1.00 0.00 H new ATOM 1834 N ASP B 436 14.434 7.502 -8.924 1.00 0.00 N ATOM 1835 CA ASP B 436 15.388 6.762 -9.738 1.00 0.00 C ATOM 1836 C ASP B 436 15.717 5.438 -9.052 1.00 0.00 C ATOM 1837 O ASP B 436 16.558 4.664 -9.501 1.00 0.00 O ATOM 1838 CB ASP B 436 16.655 7.592 -9.949 1.00 0.00 C ATOM 1839 CG ASP B 436 17.643 6.949 -10.910 1.00 0.00 C ATOM 1840 OD1 ASP B 436 17.444 7.059 -12.140 1.00 0.00 O ATOM 1841 OD2 ASP B 436 18.635 6.348 -10.442 1.00 0.00 O ATOM 0 H ASP B 436 14.855 8.037 -8.165 1.00 0.00 H new ATOM 0 HA ASP B 436 14.951 6.556 -10.715 1.00 0.00 H new ATOM 0 HB2 ASP B 436 16.378 8.575 -10.328 1.00 0.00 H new ATOM 0 HB3 ASP B 436 17.143 7.748 -8.987 1.00 0.00 H new ATOM 1846 N HIS B 437 15.021 5.179 -7.955 1.00 0.00 N ATOM 1847 CA HIS B 437 15.311 4.030 -7.119 1.00 0.00 C ATOM 1848 C HIS B 437 14.616 2.770 -7.612 1.00 0.00 C ATOM 1849 O HIS B 437 13.660 2.819 -8.378 1.00 0.00 O ATOM 1850 CB HIS B 437 14.871 4.301 -5.690 1.00 0.00 C ATOM 1851 CG HIS B 437 15.587 3.486 -4.671 1.00 0.00 C ATOM 1852 ND1 HIS B 437 15.631 2.116 -4.667 1.00 0.00 N ATOM 1853 CD2 HIS B 437 16.271 3.872 -3.606 1.00 0.00 C ATOM 1854 CE1 HIS B 437 16.307 1.703 -3.623 1.00 0.00 C ATOM 1855 NE2 HIS B 437 16.723 2.750 -2.965 1.00 0.00 N ATOM 0 H HIS B 437 14.247 5.755 -7.624 1.00 0.00 H new ATOM 0 HA HIS B 437 16.388 3.868 -7.164 1.00 0.00 H new ATOM 0 HB2 HIS B 437 15.023 5.357 -5.468 1.00 0.00 H new ATOM 0 HB3 HIS B 437 13.801 4.109 -5.608 1.00 0.00 H new ATOM 0 HD2 HIS B 437 16.442 4.893 -3.297 1.00 0.00 H new ATOM 0 HE1 HIS B 437 16.489 0.673 -3.354 1.00 0.00 H new ATOM 0 HE2 HIS B 437 17.289 2.735 -2.117 1.00 0.00 H new ATOM 1864 N GLU B 438 15.130 1.648 -7.162 1.00 0.00 N ATOM 1865 CA GLU B 438 14.472 0.383 -7.271 1.00 0.00 C ATOM 1866 C GLU B 438 13.175 0.332 -6.442 1.00 0.00 C ATOM 1867 O GLU B 438 12.128 -0.002 -6.965 1.00 0.00 O ATOM 1868 CB GLU B 438 15.434 -0.699 -6.821 1.00 0.00 C ATOM 1869 CG GLU B 438 14.738 -1.948 -6.406 1.00 0.00 C ATOM 1870 CD GLU B 438 14.110 -2.679 -7.581 1.00 0.00 C ATOM 1871 OE1 GLU B 438 13.279 -2.091 -8.297 1.00 0.00 O ATOM 1872 OE2 GLU B 438 14.473 -3.837 -7.817 1.00 0.00 O ATOM 0 H GLU B 438 16.038 1.597 -6.701 1.00 0.00 H new ATOM 0 HA GLU B 438 14.184 0.226 -8.310 1.00 0.00 H new ATOM 0 HB2 GLU B 438 16.126 -0.925 -7.632 1.00 0.00 H new ATOM 0 HB3 GLU B 438 16.031 -0.326 -5.988 1.00 0.00 H new ATOM 0 HG2 GLU B 438 15.448 -2.608 -5.908 1.00 0.00 H new ATOM 0 HG3 GLU B 438 13.965 -1.705 -5.677 1.00 0.00 H new ATOM 1879 N VAL B 439 13.233 0.653 -5.143 1.00 0.00 N ATOM 1880 CA VAL B 439 12.037 0.556 -4.298 1.00 0.00 C ATOM 1881 C VAL B 439 10.915 1.342 -4.897 1.00 0.00 C ATOM 1882 O VAL B 439 9.785 0.883 -4.945 1.00 0.00 O ATOM 1883 CB VAL B 439 12.244 1.050 -2.883 1.00 0.00 C ATOM 1884 CG1 VAL B 439 11.245 0.449 -1.916 1.00 0.00 C ATOM 1885 CG2 VAL B 439 13.633 0.843 -2.525 1.00 0.00 C ATOM 0 H VAL B 439 14.074 0.975 -4.664 1.00 0.00 H new ATOM 0 HA VAL B 439 11.804 -0.508 -4.250 1.00 0.00 H new ATOM 0 HB VAL B 439 12.044 2.120 -2.821 1.00 0.00 H new ATOM 0 HG11 VAL B 439 11.433 0.833 -0.913 1.00 0.00 H new ATOM 0 HG12 VAL B 439 10.234 0.717 -2.224 1.00 0.00 H new ATOM 0 HG13 VAL B 439 11.348 -0.636 -1.914 1.00 0.00 H new ATOM 0 HG21 VAL B 439 13.802 1.193 -1.507 1.00 0.00 H new ATOM 0 HG22 VAL B 439 13.870 -0.219 -2.588 1.00 0.00 H new ATOM 0 HG23 VAL B 439 14.272 1.399 -3.211 1.00 0.00 H new ATOM 1895 N VAL B 440 11.242 2.537 -5.359 1.00 0.00 N ATOM 1896 CA VAL B 440 10.246 3.357 -6.013 1.00 0.00 C ATOM 1897 C VAL B 440 9.796 2.728 -7.324 1.00 0.00 C ATOM 1898 O VAL B 440 8.621 2.728 -7.639 1.00 0.00 O ATOM 1899 CB VAL B 440 10.700 4.791 -6.271 1.00 0.00 C ATOM 1900 CG1 VAL B 440 11.061 5.446 -4.980 1.00 0.00 C ATOM 1901 CG2 VAL B 440 11.850 4.825 -7.225 1.00 0.00 C ATOM 0 H VAL B 440 12.172 2.952 -5.294 1.00 0.00 H new ATOM 0 HA VAL B 440 9.411 3.406 -5.314 1.00 0.00 H new ATOM 0 HB VAL B 440 9.877 5.342 -6.727 1.00 0.00 H new ATOM 0 HG11 VAL B 440 11.385 6.470 -5.169 1.00 0.00 H new ATOM 0 HG12 VAL B 440 10.192 5.456 -4.322 1.00 0.00 H new ATOM 0 HG13 VAL B 440 11.870 4.892 -4.505 1.00 0.00 H new ATOM 0 HG21 VAL B 440 12.154 5.858 -7.392 1.00 0.00 H new ATOM 0 HG22 VAL B 440 12.686 4.264 -6.807 1.00 0.00 H new ATOM 0 HG23 VAL B 440 11.550 4.378 -8.173 1.00 0.00 H new ATOM 1911 N ALA B 441 10.755 2.215 -8.083 1.00 0.00 N ATOM 1912 CA ALA B 441 10.476 1.445 -9.292 1.00 0.00 C ATOM 1913 C ALA B 441 9.341 0.470 -9.036 1.00 0.00 C ATOM 1914 O ALA B 441 8.309 0.470 -9.713 1.00 0.00 O ATOM 1915 CB ALA B 441 11.727 0.673 -9.695 1.00 0.00 C ATOM 0 H ALA B 441 11.749 2.320 -7.880 1.00 0.00 H new ATOM 0 HA ALA B 441 10.187 2.125 -10.093 1.00 0.00 H new ATOM 0 HB1 ALA B 441 11.524 0.096 -10.597 1.00 0.00 H new ATOM 0 HB2 ALA B 441 12.540 1.373 -9.887 1.00 0.00 H new ATOM 0 HB3 ALA B 441 12.013 -0.003 -8.889 1.00 0.00 H new ATOM 1921 N MET B 442 9.550 -0.323 -8.008 1.00 0.00 N ATOM 1922 CA MET B 442 8.595 -1.312 -7.559 1.00 0.00 C ATOM 1923 C MET B 442 7.329 -0.618 -7.090 1.00 0.00 C ATOM 1924 O MET B 442 6.211 -0.986 -7.460 1.00 0.00 O ATOM 1925 CB MET B 442 9.239 -2.072 -6.418 1.00 0.00 C ATOM 1926 CG MET B 442 10.633 -2.512 -6.761 1.00 0.00 C ATOM 1927 SD MET B 442 10.806 -4.301 -6.834 1.00 0.00 S ATOM 1928 CE MET B 442 12.125 -4.500 -5.665 1.00 0.00 C ATOM 0 H MET B 442 10.404 -0.298 -7.451 1.00 0.00 H new ATOM 0 HA MET B 442 8.326 -1.996 -8.364 1.00 0.00 H new ATOM 0 HB2 MET B 442 9.265 -1.441 -5.529 1.00 0.00 H new ATOM 0 HB3 MET B 442 8.632 -2.944 -6.173 1.00 0.00 H new ATOM 0 HG2 MET B 442 10.917 -2.085 -7.723 1.00 0.00 H new ATOM 0 HG3 MET B 442 11.326 -2.115 -6.019 1.00 0.00 H new ATOM 0 HE1 MET B 442 12.892 -5.148 -6.089 1.00 0.00 H new ATOM 0 HE2 MET B 442 12.559 -3.526 -5.437 1.00 0.00 H new ATOM 0 HE3 MET B 442 11.736 -4.948 -4.750 1.00 0.00 H new ATOM 1938 N ALA B 443 7.550 0.404 -6.280 1.00 0.00 N ATOM 1939 CA ALA B 443 6.500 1.257 -5.750 1.00 0.00 C ATOM 1940 C ALA B 443 5.517 1.764 -6.826 1.00 0.00 C ATOM 1941 O ALA B 443 4.304 1.614 -6.680 1.00 0.00 O ATOM 1942 CB ALA B 443 7.161 2.426 -5.046 1.00 0.00 C ATOM 0 H ALA B 443 8.484 0.669 -5.966 1.00 0.00 H new ATOM 0 HA ALA B 443 5.898 0.666 -5.060 1.00 0.00 H new ATOM 0 HB1 ALA B 443 6.395 3.085 -4.637 1.00 0.00 H new ATOM 0 HB2 ALA B 443 7.790 2.055 -4.237 1.00 0.00 H new ATOM 0 HB3 ALA B 443 7.774 2.980 -5.757 1.00 0.00 H new ATOM 1948 N ARG B 444 6.038 2.357 -7.906 1.00 0.00 N ATOM 1949 CA ARG B 444 5.185 2.952 -8.946 1.00 0.00 C ATOM 1950 C ARG B 444 4.369 1.899 -9.681 1.00 0.00 C ATOM 1951 O ARG B 444 3.268 2.179 -10.157 1.00 0.00 O ATOM 1952 CB ARG B 444 5.996 3.745 -9.973 1.00 0.00 C ATOM 1953 CG ARG B 444 6.483 5.097 -9.483 1.00 0.00 C ATOM 1954 CD ARG B 444 7.941 5.048 -9.075 1.00 0.00 C ATOM 1955 NE ARG B 444 8.793 4.538 -10.148 1.00 0.00 N ATOM 1956 CZ ARG B 444 9.778 5.231 -10.715 1.00 0.00 C ATOM 1957 NH1 ARG B 444 9.957 6.509 -10.415 1.00 0.00 N ATOM 1958 NH2 ARG B 444 10.559 4.653 -11.618 1.00 0.00 N ATOM 0 H ARG B 444 7.039 2.439 -8.084 1.00 0.00 H new ATOM 0 HA ARG B 444 4.512 3.630 -8.421 1.00 0.00 H new ATOM 0 HB2 ARG B 444 6.858 3.150 -10.274 1.00 0.00 H new ATOM 0 HB3 ARG B 444 5.385 3.894 -10.863 1.00 0.00 H new ATOM 0 HG2 ARG B 444 6.349 5.840 -10.269 1.00 0.00 H new ATOM 0 HG3 ARG B 444 5.878 5.417 -8.635 1.00 0.00 H new ATOM 0 HD2 ARG B 444 8.272 6.047 -8.793 1.00 0.00 H new ATOM 0 HD3 ARG B 444 8.050 4.416 -8.194 1.00 0.00 H new ATOM 0 HE ARG B 444 8.622 3.590 -10.484 1.00 0.00 H new ATOM 0 HH11 ARG B 444 9.338 6.967 -9.746 1.00 0.00 H new ATOM 0 HH12 ARG B 444 10.714 7.035 -10.853 1.00 0.00 H new ATOM 0 HH21 ARG B 444 10.404 3.679 -11.877 1.00 0.00 H new ATOM 0 HH22 ARG B 444 11.314 5.183 -12.053 1.00 0.00 H new ATOM 1972 N LYS B 445 4.916 0.702 -9.800 1.00 0.00 N ATOM 1973 CA LYS B 445 4.195 -0.399 -10.414 1.00 0.00 C ATOM 1974 C LYS B 445 2.955 -0.730 -9.624 1.00 0.00 C ATOM 1975 O LYS B 445 1.893 -1.001 -10.180 1.00 0.00 O ATOM 1976 CB LYS B 445 5.097 -1.600 -10.484 1.00 0.00 C ATOM 1977 CG LYS B 445 6.241 -1.362 -11.389 1.00 0.00 C ATOM 1978 CD LYS B 445 7.371 -2.296 -11.120 1.00 0.00 C ATOM 1979 CE LYS B 445 7.305 -3.407 -12.102 1.00 0.00 C ATOM 1980 NZ LYS B 445 7.522 -2.963 -13.504 1.00 0.00 N ATOM 0 H LYS B 445 5.856 0.468 -9.480 1.00 0.00 H new ATOM 0 HA LYS B 445 3.890 -0.108 -11.419 1.00 0.00 H new ATOM 0 HB2 LYS B 445 5.464 -1.840 -9.486 1.00 0.00 H new ATOM 0 HB3 LYS B 445 4.530 -2.464 -10.831 1.00 0.00 H new ATOM 0 HG2 LYS B 445 5.915 -1.476 -12.423 1.00 0.00 H new ATOM 0 HG3 LYS B 445 6.585 -0.334 -11.275 1.00 0.00 H new ATOM 0 HD2 LYS B 445 8.324 -1.773 -11.203 1.00 0.00 H new ATOM 0 HD3 LYS B 445 7.308 -2.684 -10.103 1.00 0.00 H new ATOM 0 HE2 LYS B 445 8.054 -4.156 -11.845 1.00 0.00 H new ATOM 0 HE3 LYS B 445 6.331 -3.892 -12.028 1.00 0.00 H new ATOM 0 HZ1 LYS B 445 6.603 -2.793 -13.960 1.00 0.00 H new ATOM 0 HZ2 LYS B 445 8.079 -2.085 -13.508 1.00 0.00 H new ATOM 0 HZ3 LYS B 445 8.036 -3.701 -14.026 1.00 0.00 H new ATOM 1994 N LEU B 446 3.109 -0.703 -8.320 1.00 0.00 N ATOM 1995 CA LEU B 446 2.010 -0.926 -7.417 1.00 0.00 C ATOM 1996 C LEU B 446 1.023 0.210 -7.494 1.00 0.00 C ATOM 1997 O LEU B 446 -0.168 0.002 -7.364 1.00 0.00 O ATOM 1998 CB LEU B 446 2.544 -1.072 -6.017 1.00 0.00 C ATOM 1999 CG LEU B 446 3.581 -2.148 -5.875 1.00 0.00 C ATOM 2000 CD1 LEU B 446 3.695 -2.535 -4.426 1.00 0.00 C ATOM 2001 CD2 LEU B 446 3.153 -3.323 -6.713 1.00 0.00 C ATOM 0 H LEU B 446 4.001 -0.526 -7.858 1.00 0.00 H new ATOM 0 HA LEU B 446 1.489 -1.840 -7.700 1.00 0.00 H new ATOM 0 HB2 LEU B 446 2.974 -0.122 -5.701 1.00 0.00 H new ATOM 0 HB3 LEU B 446 1.715 -1.287 -5.342 1.00 0.00 H new ATOM 0 HG LEU B 446 4.557 -1.800 -6.214 1.00 0.00 H new ATOM 0 HD11 LEU B 446 4.447 -3.316 -4.316 1.00 0.00 H new ATOM 0 HD12 LEU B 446 3.988 -1.665 -3.839 1.00 0.00 H new ATOM 0 HD13 LEU B 446 2.733 -2.905 -4.071 1.00 0.00 H new ATOM 0 HD21 LEU B 446 3.892 -4.120 -6.627 1.00 0.00 H new ATOM 0 HD22 LEU B 446 2.186 -3.685 -6.365 1.00 0.00 H new ATOM 0 HD23 LEU B 446 3.071 -3.016 -7.756 1.00 0.00 H new ATOM 2013 N GLN B 447 1.530 1.408 -7.700 1.00 0.00 N ATOM 2014 CA GLN B 447 0.667 2.553 -7.974 1.00 0.00 C ATOM 2015 C GLN B 447 -0.209 2.266 -9.181 1.00 0.00 C ATOM 2016 O GLN B 447 -1.417 2.486 -9.152 1.00 0.00 O ATOM 2017 CB GLN B 447 1.478 3.824 -8.227 1.00 0.00 C ATOM 2018 CG GLN B 447 1.632 4.702 -7.004 1.00 0.00 C ATOM 2019 CD GLN B 447 2.064 6.109 -7.357 1.00 0.00 C ATOM 2020 OE1 GLN B 447 3.253 6.429 -7.374 1.00 0.00 O ATOM 2021 NE2 GLN B 447 1.096 6.950 -7.677 1.00 0.00 N ATOM 0 H GLN B 447 2.528 1.620 -7.684 1.00 0.00 H new ATOM 0 HA GLN B 447 0.046 2.715 -7.093 1.00 0.00 H new ATOM 0 HB2 GLN B 447 2.467 3.547 -8.591 1.00 0.00 H new ATOM 0 HB3 GLN B 447 0.997 4.399 -9.018 1.00 0.00 H new ATOM 0 HG2 GLN B 447 0.685 4.740 -6.465 1.00 0.00 H new ATOM 0 HG3 GLN B 447 2.365 4.258 -6.331 1.00 0.00 H new ATOM 0 HE21 GLN B 447 0.124 6.643 -7.649 1.00 0.00 H new ATOM 0 HE22 GLN B 447 1.321 7.906 -7.952 1.00 0.00 H new ATOM 2030 N ASP B 448 0.410 1.750 -10.234 1.00 0.00 N ATOM 2031 CA ASP B 448 -0.304 1.420 -11.457 1.00 0.00 C ATOM 2032 C ASP B 448 -1.398 0.400 -11.182 1.00 0.00 C ATOM 2033 O ASP B 448 -2.545 0.586 -11.589 1.00 0.00 O ATOM 2034 CB ASP B 448 0.656 0.874 -12.514 1.00 0.00 C ATOM 2035 CG ASP B 448 -0.034 0.630 -13.842 1.00 0.00 C ATOM 2036 OD1 ASP B 448 -0.275 1.613 -14.576 1.00 0.00 O ATOM 2037 OD2 ASP B 448 -0.340 -0.537 -14.160 1.00 0.00 O ATOM 0 H ASP B 448 1.410 1.551 -10.264 1.00 0.00 H new ATOM 0 HA ASP B 448 -0.761 2.335 -11.835 1.00 0.00 H new ATOM 0 HB2 ASP B 448 1.476 1.578 -12.656 1.00 0.00 H new ATOM 0 HB3 ASP B 448 1.095 -0.058 -12.158 1.00 0.00 H new ATOM 2042 N VAL B 449 -1.049 -0.668 -10.477 1.00 0.00 N ATOM 2043 CA VAL B 449 -2.011 -1.716 -10.183 1.00 0.00 C ATOM 2044 C VAL B 449 -2.969 -1.326 -9.059 1.00 0.00 C ATOM 2045 O VAL B 449 -4.166 -1.267 -9.302 1.00 0.00 O ATOM 2046 CB VAL B 449 -1.346 -3.080 -9.924 1.00 0.00 C ATOM 2047 CG1 VAL B 449 -0.180 -2.988 -8.960 1.00 0.00 C ATOM 2048 CG2 VAL B 449 -2.373 -4.069 -9.419 1.00 0.00 C ATOM 0 H VAL B 449 -0.114 -0.829 -10.102 1.00 0.00 H new ATOM 0 HA VAL B 449 -2.611 -1.833 -11.085 1.00 0.00 H new ATOM 0 HB VAL B 449 -0.941 -3.427 -10.874 1.00 0.00 H new ATOM 0 HG11 VAL B 449 0.251 -3.979 -8.814 1.00 0.00 H new ATOM 0 HG12 VAL B 449 0.578 -2.319 -9.368 1.00 0.00 H new ATOM 0 HG13 VAL B 449 -0.529 -2.600 -8.003 1.00 0.00 H new ATOM 0 HG21 VAL B 449 -1.894 -5.031 -9.239 1.00 0.00 H new ATOM 0 HG22 VAL B 449 -2.807 -3.700 -8.490 1.00 0.00 H new ATOM 0 HG23 VAL B 449 -3.159 -4.190 -10.164 1.00 0.00 H new ATOM 2058 N PHE B 450 -2.468 -1.051 -7.850 1.00 0.00 N ATOM 2059 CA PHE B 450 -3.324 -0.636 -6.736 1.00 0.00 C ATOM 2060 C PHE B 450 -4.346 0.428 -7.141 1.00 0.00 C ATOM 2061 O PHE B 450 -5.524 0.279 -6.849 1.00 0.00 O ATOM 2062 CB PHE B 450 -2.486 -0.112 -5.567 1.00 0.00 C ATOM 2063 CG PHE B 450 -3.278 0.709 -4.592 1.00 0.00 C ATOM 2064 CD1 PHE B 450 -4.156 0.107 -3.705 1.00 0.00 C ATOM 2065 CD2 PHE B 450 -3.154 2.089 -4.575 1.00 0.00 C ATOM 2066 CE1 PHE B 450 -4.893 0.868 -2.823 1.00 0.00 C ATOM 2067 CE2 PHE B 450 -3.885 2.851 -3.692 1.00 0.00 C ATOM 2068 CZ PHE B 450 -4.756 2.240 -2.817 1.00 0.00 C ATOM 0 H PHE B 450 -1.476 -1.108 -7.619 1.00 0.00 H new ATOM 0 HA PHE B 450 -3.871 -1.527 -6.427 1.00 0.00 H new ATOM 0 HB2 PHE B 450 -2.039 -0.956 -5.042 1.00 0.00 H new ATOM 0 HB3 PHE B 450 -1.666 0.491 -5.958 1.00 0.00 H new ATOM 0 HD1 PHE B 450 -4.264 -0.968 -3.705 1.00 0.00 H new ATOM 0 HD2 PHE B 450 -2.476 2.572 -5.263 1.00 0.00 H new ATOM 0 HE1 PHE B 450 -5.577 0.390 -2.137 1.00 0.00 H new ATOM 0 HE2 PHE B 450 -3.776 3.925 -3.685 1.00 0.00 H new ATOM 0 HZ PHE B 450 -5.332 2.836 -2.125 1.00 0.00 H new ATOM 2078 N GLU B 451 -3.911 1.492 -7.805 1.00 0.00 N ATOM 2079 CA GLU B 451 -4.823 2.586 -8.130 1.00 0.00 C ATOM 2080 C GLU B 451 -5.809 2.182 -9.224 1.00 0.00 C ATOM 2081 O GLU B 451 -6.958 2.626 -9.222 1.00 0.00 O ATOM 2082 CB GLU B 451 -4.057 3.850 -8.522 1.00 0.00 C ATOM 2083 CG GLU B 451 -3.277 4.456 -7.365 1.00 0.00 C ATOM 2084 CD GLU B 451 -2.596 5.758 -7.729 1.00 0.00 C ATOM 2085 OE1 GLU B 451 -3.302 6.763 -7.939 1.00 0.00 O ATOM 2086 OE2 GLU B 451 -1.353 5.787 -7.798 1.00 0.00 O ATOM 0 H GLU B 451 -2.951 1.622 -8.125 1.00 0.00 H new ATOM 0 HA GLU B 451 -5.398 2.810 -7.231 1.00 0.00 H new ATOM 0 HB2 GLU B 451 -3.368 3.614 -9.333 1.00 0.00 H new ATOM 0 HB3 GLU B 451 -4.760 4.590 -8.906 1.00 0.00 H new ATOM 0 HG2 GLU B 451 -3.954 4.628 -6.528 1.00 0.00 H new ATOM 0 HG3 GLU B 451 -2.526 3.742 -7.026 1.00 0.00 H new ATOM 2093 N MET B 452 -5.376 1.332 -10.150 1.00 0.00 N ATOM 2094 CA MET B 452 -6.295 0.759 -11.131 1.00 0.00 C ATOM 2095 C MET B 452 -7.304 -0.097 -10.385 1.00 0.00 C ATOM 2096 O MET B 452 -8.518 0.000 -10.596 1.00 0.00 O ATOM 2097 CB MET B 452 -5.540 -0.106 -12.149 1.00 0.00 C ATOM 2098 CG MET B 452 -6.237 -0.260 -13.500 1.00 0.00 C ATOM 2099 SD MET B 452 -7.881 -1.011 -13.420 1.00 0.00 S ATOM 2100 CE MET B 452 -7.540 -2.596 -12.653 1.00 0.00 C ATOM 0 H MET B 452 -4.407 1.027 -10.243 1.00 0.00 H new ATOM 0 HA MET B 452 -6.793 1.561 -11.675 1.00 0.00 H new ATOM 0 HB2 MET B 452 -4.553 0.327 -12.312 1.00 0.00 H new ATOM 0 HB3 MET B 452 -5.386 -1.096 -11.720 1.00 0.00 H new ATOM 0 HG2 MET B 452 -6.323 0.723 -13.963 1.00 0.00 H new ATOM 0 HG3 MET B 452 -5.607 -0.865 -14.152 1.00 0.00 H new ATOM 0 HE1 MET B 452 -8.115 -3.374 -13.155 1.00 0.00 H new ATOM 0 HE2 MET B 452 -6.476 -2.820 -12.737 1.00 0.00 H new ATOM 0 HE3 MET B 452 -7.821 -2.559 -11.600 1.00 0.00 H new ATOM 2110 N ARG B 453 -6.775 -0.918 -9.488 1.00 0.00 N ATOM 2111 CA ARG B 453 -7.585 -1.781 -8.653 1.00 0.00 C ATOM 2112 C ARG B 453 -8.564 -0.964 -7.842 1.00 0.00 C ATOM 2113 O ARG B 453 -9.735 -1.319 -7.715 1.00 0.00 O ATOM 2114 CB ARG B 453 -6.718 -2.592 -7.697 1.00 0.00 C ATOM 2115 CG ARG B 453 -5.767 -3.531 -8.375 1.00 0.00 C ATOM 2116 CD ARG B 453 -6.232 -4.936 -8.194 1.00 0.00 C ATOM 2117 NE ARG B 453 -5.951 -5.751 -9.374 1.00 0.00 N ATOM 2118 CZ ARG B 453 -6.627 -6.851 -9.709 1.00 0.00 C ATOM 2119 NH1 ARG B 453 -7.564 -7.340 -8.904 1.00 0.00 N ATOM 2120 NH2 ARG B 453 -6.351 -7.468 -10.850 1.00 0.00 N ATOM 0 H ARG B 453 -5.772 -1.001 -9.322 1.00 0.00 H new ATOM 0 HA ARG B 453 -8.125 -2.460 -9.313 1.00 0.00 H new ATOM 0 HB2 ARG B 453 -6.148 -1.906 -7.070 1.00 0.00 H new ATOM 0 HB3 ARG B 453 -7.366 -3.165 -7.034 1.00 0.00 H new ATOM 0 HG2 ARG B 453 -5.702 -3.294 -9.437 1.00 0.00 H new ATOM 0 HG3 ARG B 453 -4.766 -3.413 -7.960 1.00 0.00 H new ATOM 0 HD2 ARG B 453 -5.742 -5.373 -7.324 1.00 0.00 H new ATOM 0 HD3 ARG B 453 -7.303 -4.942 -7.993 1.00 0.00 H new ATOM 0 HE ARG B 453 -5.186 -5.459 -9.983 1.00 0.00 H new ATOM 0 HH11 ARG B 453 -7.772 -6.874 -8.021 1.00 0.00 H new ATOM 0 HH12 ARG B 453 -8.076 -8.182 -9.169 1.00 0.00 H new ATOM 0 HH21 ARG B 453 -5.625 -7.101 -11.466 1.00 0.00 H new ATOM 0 HH22 ARG B 453 -6.864 -8.310 -11.112 1.00 0.00 H new ATOM 2134 N PHE B 454 -8.073 0.137 -7.301 1.00 0.00 N ATOM 2135 CA PHE B 454 -8.848 0.943 -6.392 1.00 0.00 C ATOM 2136 C PHE B 454 -9.944 1.701 -7.126 1.00 0.00 C ATOM 2137 O PHE B 454 -10.951 2.088 -6.538 1.00 0.00 O ATOM 2138 CB PHE B 454 -7.970 1.918 -5.632 1.00 0.00 C ATOM 2139 CG PHE B 454 -8.498 2.099 -4.257 1.00 0.00 C ATOM 2140 CD1 PHE B 454 -8.613 0.999 -3.438 1.00 0.00 C ATOM 2141 CD2 PHE B 454 -8.934 3.328 -3.792 1.00 0.00 C ATOM 2142 CE1 PHE B 454 -9.141 1.100 -2.212 1.00 0.00 C ATOM 2143 CE2 PHE B 454 -9.470 3.436 -2.522 1.00 0.00 C ATOM 2144 CZ PHE B 454 -9.575 2.306 -1.734 1.00 0.00 C ATOM 0 H PHE B 454 -7.133 0.490 -7.481 1.00 0.00 H new ATOM 0 HA PHE B 454 -9.311 0.263 -5.677 1.00 0.00 H new ATOM 0 HB2 PHE B 454 -6.946 1.546 -5.593 1.00 0.00 H new ATOM 0 HB3 PHE B 454 -7.941 2.877 -6.150 1.00 0.00 H new ATOM 0 HD1 PHE B 454 -8.271 0.037 -3.791 1.00 0.00 H new ATOM 0 HD2 PHE B 454 -8.855 4.202 -4.421 1.00 0.00 H new ATOM 0 HE1 PHE B 454 -9.225 0.219 -1.593 1.00 0.00 H new ATOM 0 HE2 PHE B 454 -9.803 4.394 -2.150 1.00 0.00 H new ATOM 0 HZ PHE B 454 -9.999 2.375 -0.743 1.00 0.00 H new