USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 679 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 Single : B 6 THR OG1 : rot 180:sc= 0 USER MOD Single : B 14 SER OG : rot -21:sc= 0.455 USER MOD Single : B 17 LYS NZ :NH3+ -171:sc= -0.0252 (180deg=-0.177) USER MOD Single : B 19 THR OG1 : rot -27:sc= 0.57 USER MOD Single : B 20 GLN :FLIP amide:sc= -1.35 F(o=-2!,f=-1.3) USER MOD Single : B 22 GLN :FLIP amide:sc= -0.199 F(o=-1.9,f=-0.2) USER MOD Single : B 27 THR OG1 : rot 60:sc= 0.677 USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 31 ASN : amide:sc= -0.0646 K(o=-0.065,f=-0.89) USER MOD Single : B 33 THR OG1 : rot 180:sc= 0 USER MOD Single : B 34 THR OG1 : rot -62:sc= 1.25 USER MOD Single : B 42 ASN : amide:sc= -0.15 K(o=-0.15,f=-8.4!) USER MOD Single : B 46 SER OG : rot 180:sc= 0 USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 72 SER OG : rot -151:sc= 0.857 USER MOD Single : B 73 THR OG1 : rot 180:sc= -0.156 USER MOD Single : B 81 SER OG : rot -119:sc= 0.606 USER MOD Single : B 90 TYR OH : rot 180:sc= 0 USER MOD Single : B 96 LYS NZ :NH3+ -142:sc= -1.06 (180deg=-3.21!) USER MOD Single : B 103 SER OG : rot 180:sc= 0 USER MOD Single : B 105 SER OG : rot 180:sc= 0 USER MOD Single : B 109 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD ----------------------------------------------------------------- ATOM 381 N VAL B 5 13.966 -0.215 4.006 1.00 0.00 N ATOM 382 CA VAL B 5 13.830 1.238 4.015 1.00 0.00 C ATOM 383 C VAL B 5 12.578 1.644 4.785 1.00 0.00 C ATOM 384 O VAL B 5 11.714 0.810 5.055 1.00 0.00 O ATOM 385 CB VAL B 5 13.772 1.820 2.588 1.00 0.00 C ATOM 386 CG1 VAL B 5 14.954 1.339 1.761 1.00 0.00 C ATOM 387 CG2 VAL B 5 12.459 1.466 1.912 1.00 0.00 C ATOM 0 HA VAL B 5 14.714 1.644 4.507 1.00 0.00 H new ATOM 0 HB VAL B 5 13.830 2.906 2.663 1.00 0.00 H new ATOM 0 HG11 VAL B 5 14.893 1.762 0.758 1.00 0.00 H new ATOM 0 HG12 VAL B 5 15.883 1.659 2.233 1.00 0.00 H new ATOM 0 HG13 VAL B 5 14.935 0.251 1.698 1.00 0.00 H new ATOM 0 HG21 VAL B 5 12.442 1.888 0.907 1.00 0.00 H new ATOM 0 HG22 VAL B 5 12.361 0.382 1.853 1.00 0.00 H new ATOM 0 HG23 VAL B 5 11.630 1.874 2.491 1.00 0.00 H new ATOM 397 N THR B 6 12.477 2.921 5.142 1.00 0.00 N ATOM 398 CA THR B 6 11.329 3.407 5.890 1.00 0.00 C ATOM 399 C THR B 6 10.676 4.602 5.203 1.00 0.00 C ATOM 400 O THR B 6 11.283 5.255 4.354 1.00 0.00 O ATOM 401 CB THR B 6 11.736 3.808 7.316 1.00 0.00 C ATOM 402 OG1 THR B 6 12.751 2.922 7.804 1.00 0.00 O ATOM 403 CG2 THR B 6 10.538 3.763 8.242 1.00 0.00 C ATOM 0 H THR B 6 13.175 3.633 4.925 1.00 0.00 H new ATOM 0 HA THR B 6 10.609 2.590 5.932 1.00 0.00 H new ATOM 0 HB THR B 6 12.125 4.826 7.290 1.00 0.00 H new ATOM 0 HG1 THR B 6 13.006 3.186 8.713 1.00 0.00 H new ATOM 0 HG21 THR B 6 10.845 4.050 9.248 1.00 0.00 H new ATOM 0 HG22 THR B 6 9.775 4.455 7.884 1.00 0.00 H new ATOM 0 HG23 THR B 6 10.131 2.752 8.261 1.00 0.00 H new ATOM 411 N LEU B 7 9.431 4.882 5.582 1.00 0.00 N ATOM 412 CA LEU B 7 8.684 5.998 5.011 1.00 0.00 C ATOM 413 C LEU B 7 7.931 6.755 6.101 1.00 0.00 C ATOM 414 O LEU B 7 7.515 6.170 7.101 1.00 0.00 O ATOM 415 CB LEU B 7 7.700 5.491 3.954 1.00 0.00 C ATOM 416 CG LEU B 7 6.761 6.552 3.371 1.00 0.00 C ATOM 417 CD1 LEU B 7 7.548 7.603 2.602 1.00 0.00 C ATOM 418 CD2 LEU B 7 5.719 5.904 2.477 1.00 0.00 C ATOM 0 H LEU B 7 8.918 4.349 6.284 1.00 0.00 H new ATOM 0 HA LEU B 7 9.393 6.679 4.540 1.00 0.00 H new ATOM 0 HB2 LEU B 7 8.268 5.044 3.138 1.00 0.00 H new ATOM 0 HB3 LEU B 7 7.096 4.698 4.394 1.00 0.00 H new ATOM 0 HG LEU B 7 6.248 7.047 4.196 1.00 0.00 H new ATOM 0 HD11 LEU B 7 6.862 8.347 2.196 1.00 0.00 H new ATOM 0 HD12 LEU B 7 8.256 8.090 3.272 1.00 0.00 H new ATOM 0 HD13 LEU B 7 8.090 7.126 1.786 1.00 0.00 H new ATOM 0 HD21 LEU B 7 5.060 6.671 2.071 1.00 0.00 H new ATOM 0 HD22 LEU B 7 6.215 5.382 1.659 1.00 0.00 H new ATOM 0 HD23 LEU B 7 5.132 5.193 3.058 1.00 0.00 H new ATOM 430 N ASP B 8 7.757 8.060 5.902 1.00 0.00 N ATOM 431 CA ASP B 8 7.054 8.894 6.869 1.00 0.00 C ATOM 432 C ASP B 8 6.813 10.296 6.314 1.00 0.00 C ATOM 433 O ASP B 8 6.567 11.239 7.066 1.00 0.00 O ATOM 434 CB ASP B 8 7.849 8.983 8.173 1.00 0.00 C ATOM 435 CG ASP B 8 9.241 9.546 7.962 1.00 0.00 C ATOM 436 OD1 ASP B 8 9.400 10.781 8.045 1.00 0.00 O ATOM 437 OD2 ASP B 8 10.172 8.750 7.715 1.00 0.00 O ATOM 0 H ASP B 8 8.094 8.561 5.080 1.00 0.00 H new ATOM 0 HA ASP B 8 6.088 8.431 7.069 1.00 0.00 H new ATOM 0 HB2 ASP B 8 7.310 9.610 8.882 1.00 0.00 H new ATOM 0 HB3 ASP B 8 7.925 7.991 8.618 1.00 0.00 H new ATOM 442 N ASP B 9 6.881 10.425 4.992 1.00 0.00 N ATOM 443 CA ASP B 9 6.672 11.711 4.338 1.00 0.00 C ATOM 444 C ASP B 9 5.279 11.799 3.725 1.00 0.00 C ATOM 445 O ASP B 9 4.557 12.772 3.952 1.00 0.00 O ATOM 446 CB ASP B 9 7.731 11.932 3.256 1.00 0.00 C ATOM 447 CG ASP B 9 9.141 11.909 3.810 1.00 0.00 C ATOM 448 OD1 ASP B 9 9.634 12.978 4.228 1.00 0.00 O ATOM 449 OD2 ASP B 9 9.754 10.821 3.829 1.00 0.00 O ATOM 0 H ASP B 9 7.079 9.654 4.354 1.00 0.00 H new ATOM 0 HA ASP B 9 6.762 12.490 5.095 1.00 0.00 H new ATOM 0 HB2 ASP B 9 7.632 11.161 2.492 1.00 0.00 H new ATOM 0 HB3 ASP B 9 7.552 12.890 2.767 1.00 0.00 H new ATOM 454 N ALA B 10 4.912 10.776 2.953 1.00 0.00 N ATOM 455 CA ALA B 10 3.608 10.715 2.290 1.00 0.00 C ATOM 456 C ALA B 10 3.551 11.647 1.081 1.00 0.00 C ATOM 457 O ALA B 10 3.107 11.250 0.004 1.00 0.00 O ATOM 458 CB ALA B 10 2.484 11.038 3.264 1.00 0.00 C ATOM 0 H ALA B 10 5.508 9.968 2.770 1.00 0.00 H new ATOM 0 HA ALA B 10 3.472 9.694 1.934 1.00 0.00 H new ATOM 0 HB1 ALA B 10 1.527 10.985 2.745 1.00 0.00 H new ATOM 0 HB2 ALA B 10 2.493 10.318 4.082 1.00 0.00 H new ATOM 0 HB3 ALA B 10 2.626 12.042 3.663 1.00 0.00 H new ATOM 464 N ASP B 11 4.005 12.883 1.264 1.00 0.00 N ATOM 465 CA ASP B 11 4.008 13.863 0.184 1.00 0.00 C ATOM 466 C ASP B 11 5.161 13.602 -0.776 1.00 0.00 C ATOM 467 O ASP B 11 5.090 13.943 -1.959 1.00 0.00 O ATOM 468 CB ASP B 11 4.111 15.279 0.752 1.00 0.00 C ATOM 469 CG ASP B 11 4.114 16.339 -0.331 1.00 0.00 C ATOM 470 OD1 ASP B 11 5.211 16.696 -0.809 1.00 0.00 O ATOM 471 OD2 ASP B 11 3.019 16.813 -0.701 1.00 0.00 O ATOM 0 H ASP B 11 4.375 13.229 2.149 1.00 0.00 H new ATOM 0 HA ASP B 11 3.071 13.769 -0.365 1.00 0.00 H new ATOM 0 HB2 ASP B 11 3.275 15.457 1.428 1.00 0.00 H new ATOM 0 HB3 ASP B 11 5.023 15.365 1.343 1.00 0.00 H new ATOM 476 N ASP B 12 6.224 12.994 -0.260 1.00 0.00 N ATOM 477 CA ASP B 12 7.398 12.680 -1.067 1.00 0.00 C ATOM 478 C ASP B 12 7.168 11.411 -1.880 1.00 0.00 C ATOM 479 O ASP B 12 8.050 10.961 -2.613 1.00 0.00 O ATOM 480 CB ASP B 12 8.624 12.510 -0.167 1.00 0.00 C ATOM 481 CG ASP B 12 9.905 12.324 -0.955 1.00 0.00 C ATOM 482 OD1 ASP B 12 10.317 11.162 -1.153 1.00 0.00 O ATOM 483 OD2 ASP B 12 10.496 13.340 -1.378 1.00 0.00 O ATOM 0 H ASP B 12 6.297 12.708 0.716 1.00 0.00 H new ATOM 0 HA ASP B 12 7.573 13.506 -1.757 1.00 0.00 H new ATOM 0 HB2 ASP B 12 8.722 13.384 0.477 1.00 0.00 H new ATOM 0 HB3 ASP B 12 8.475 11.649 0.485 1.00 0.00 H new ATOM 488 N CYS B 13 5.975 10.841 -1.749 1.00 0.00 N ATOM 489 CA CYS B 13 5.628 9.621 -2.466 1.00 0.00 C ATOM 490 C CYS B 13 5.620 9.842 -3.975 1.00 0.00 C ATOM 491 O CYS B 13 5.002 10.782 -4.474 1.00 0.00 O ATOM 492 CB CYS B 13 4.267 9.103 -2.003 1.00 0.00 C ATOM 493 SG CYS B 13 4.285 8.378 -0.335 1.00 0.00 S ATOM 0 H CYS B 13 5.232 11.205 -1.152 1.00 0.00 H new ATOM 0 HA CYS B 13 6.390 8.875 -2.241 1.00 0.00 H new ATOM 0 HB2 CYS B 13 3.550 9.924 -2.024 1.00 0.00 H new ATOM 0 HB3 CYS B 13 3.914 8.353 -2.711 1.00 0.00 H new ATOM 498 N SER B 14 6.311 8.961 -4.687 1.00 0.00 N ATOM 499 CA SER B 14 6.405 9.035 -6.140 1.00 0.00 C ATOM 500 C SER B 14 6.813 7.678 -6.705 1.00 0.00 C ATOM 501 O SER B 14 7.290 6.822 -5.963 1.00 0.00 O ATOM 502 CB SER B 14 7.428 10.091 -6.547 1.00 0.00 C ATOM 503 OG SER B 14 7.163 11.334 -5.922 1.00 0.00 O ATOM 0 H SER B 14 6.820 8.178 -4.276 1.00 0.00 H new ATOM 0 HA SER B 14 5.430 9.312 -6.541 1.00 0.00 H new ATOM 0 HB2 SER B 14 8.429 9.753 -6.279 1.00 0.00 H new ATOM 0 HB3 SER B 14 7.413 10.216 -7.630 1.00 0.00 H new ATOM 0 HG SER B 14 6.226 11.363 -5.635 1.00 0.00 H new ATOM 509 N PRO B 15 6.624 7.451 -8.019 1.00 0.00 N ATOM 510 CA PRO B 15 7.003 6.184 -8.652 1.00 0.00 C ATOM 511 C PRO B 15 8.500 5.924 -8.540 1.00 0.00 C ATOM 512 O PRO B 15 9.259 6.147 -9.482 1.00 0.00 O ATOM 513 CB PRO B 15 6.600 6.364 -10.116 1.00 0.00 C ATOM 514 CG PRO B 15 6.474 7.837 -10.310 1.00 0.00 C ATOM 515 CD PRO B 15 6.031 8.390 -8.987 1.00 0.00 C ATOM 0 HA PRO B 15 6.519 5.331 -8.177 1.00 0.00 H new ATOM 0 HB2 PRO B 15 7.350 5.942 -10.785 1.00 0.00 H new ATOM 0 HB3 PRO B 15 5.659 5.857 -10.330 1.00 0.00 H new ATOM 0 HG2 PRO B 15 7.425 8.273 -10.617 1.00 0.00 H new ATOM 0 HG3 PRO B 15 5.750 8.067 -11.092 1.00 0.00 H new ATOM 0 HD2 PRO B 15 6.391 9.408 -8.834 1.00 0.00 H new ATOM 0 HD3 PRO B 15 4.944 8.420 -8.906 1.00 0.00 H new ATOM 523 N LEU B 16 8.913 5.462 -7.368 1.00 0.00 N ATOM 524 CA LEU B 16 10.311 5.179 -7.095 1.00 0.00 C ATOM 525 C LEU B 16 10.732 3.827 -7.660 1.00 0.00 C ATOM 526 O LEU B 16 9.962 2.869 -7.640 1.00 0.00 O ATOM 527 CB LEU B 16 10.554 5.205 -5.588 1.00 0.00 C ATOM 528 CG LEU B 16 12.014 5.067 -5.168 1.00 0.00 C ATOM 529 CD1 LEU B 16 12.832 6.204 -5.755 1.00 0.00 C ATOM 530 CD2 LEU B 16 12.135 5.041 -3.654 1.00 0.00 C ATOM 0 H LEU B 16 8.289 5.274 -6.583 1.00 0.00 H new ATOM 0 HA LEU B 16 10.911 5.947 -7.583 1.00 0.00 H new ATOM 0 HB2 LEU B 16 10.164 6.141 -5.188 1.00 0.00 H new ATOM 0 HB3 LEU B 16 9.982 4.399 -5.129 1.00 0.00 H new ATOM 0 HG LEU B 16 12.403 4.124 -5.552 1.00 0.00 H new ATOM 0 HD11 LEU B 16 13.873 6.098 -5.450 1.00 0.00 H new ATOM 0 HD12 LEU B 16 12.767 6.175 -6.843 1.00 0.00 H new ATOM 0 HD13 LEU B 16 12.443 7.156 -5.394 1.00 0.00 H new ATOM 0 HD21 LEU B 16 13.184 4.942 -3.374 1.00 0.00 H new ATOM 0 HD22 LEU B 16 11.735 5.967 -3.241 1.00 0.00 H new ATOM 0 HD23 LEU B 16 11.573 4.195 -3.259 1.00 0.00 H new ATOM 542 N LYS B 17 11.961 3.762 -8.163 1.00 0.00 N ATOM 543 CA LYS B 17 12.495 2.529 -8.723 1.00 0.00 C ATOM 544 C LYS B 17 13.255 1.742 -7.658 1.00 0.00 C ATOM 545 O LYS B 17 14.274 2.200 -7.137 1.00 0.00 O ATOM 546 CB LYS B 17 13.413 2.846 -9.903 1.00 0.00 C ATOM 547 CG LYS B 17 14.550 3.787 -9.550 1.00 0.00 C ATOM 548 CD LYS B 17 15.063 4.523 -10.775 1.00 0.00 C ATOM 549 CE LYS B 17 16.256 5.403 -10.438 1.00 0.00 C ATOM 550 NZ LYS B 17 15.916 6.436 -9.423 1.00 0.00 N ATOM 0 H LYS B 17 12.606 4.552 -8.193 1.00 0.00 H new ATOM 0 HA LYS B 17 11.664 1.917 -9.075 1.00 0.00 H new ATOM 0 HB2 LYS B 17 13.829 1.916 -10.290 1.00 0.00 H new ATOM 0 HB3 LYS B 17 12.822 3.288 -10.705 1.00 0.00 H new ATOM 0 HG2 LYS B 17 14.210 4.508 -8.807 1.00 0.00 H new ATOM 0 HG3 LYS B 17 15.364 3.222 -9.096 1.00 0.00 H new ATOM 0 HD2 LYS B 17 15.347 3.802 -11.542 1.00 0.00 H new ATOM 0 HD3 LYS B 17 14.264 5.136 -11.193 1.00 0.00 H new ATOM 0 HE2 LYS B 17 17.071 4.782 -10.065 1.00 0.00 H new ATOM 0 HE3 LYS B 17 16.615 5.890 -11.345 1.00 0.00 H new ATOM 0 HZ1 LYS B 17 16.705 7.107 -9.333 1.00 0.00 H new ATOM 0 HZ2 LYS B 17 15.060 6.946 -9.720 1.00 0.00 H new ATOM 0 HZ3 LYS B 17 15.745 5.978 -8.505 1.00 0.00 H new ATOM 564 N LEU B 18 12.749 0.558 -7.330 1.00 0.00 N ATOM 565 CA LEU B 18 13.369 -0.290 -6.326 1.00 0.00 C ATOM 566 C LEU B 18 14.019 -1.510 -6.966 1.00 0.00 C ATOM 567 O LEU B 18 14.164 -1.583 -8.186 1.00 0.00 O ATOM 568 CB LEU B 18 12.322 -0.736 -5.304 1.00 0.00 C ATOM 569 CG LEU B 18 12.062 0.239 -4.164 1.00 0.00 C ATOM 570 CD1 LEU B 18 11.596 1.586 -4.692 1.00 0.00 C ATOM 571 CD2 LEU B 18 11.042 -0.340 -3.194 1.00 0.00 C ATOM 0 H LEU B 18 11.906 0.165 -7.749 1.00 0.00 H new ATOM 0 HA LEU B 18 14.145 0.287 -5.824 1.00 0.00 H new ATOM 0 HB2 LEU B 18 11.383 -0.915 -5.827 1.00 0.00 H new ATOM 0 HB3 LEU B 18 12.637 -1.689 -4.879 1.00 0.00 H new ATOM 0 HG LEU B 18 12.999 0.396 -3.630 1.00 0.00 H new ATOM 0 HD11 LEU B 18 11.418 2.263 -3.856 1.00 0.00 H new ATOM 0 HD12 LEU B 18 12.363 2.007 -5.342 1.00 0.00 H new ATOM 0 HD13 LEU B 18 10.673 1.456 -5.257 1.00 0.00 H new ATOM 0 HD21 LEU B 18 10.867 0.369 -2.385 1.00 0.00 H new ATOM 0 HD22 LEU B 18 10.106 -0.529 -3.720 1.00 0.00 H new ATOM 0 HD23 LEU B 18 11.422 -1.275 -2.782 1.00 0.00 H new ATOM 583 N THR B 19 14.410 -2.465 -6.130 1.00 0.00 N ATOM 584 CA THR B 19 15.042 -3.687 -6.598 1.00 0.00 C ATOM 585 C THR B 19 14.909 -4.784 -5.552 1.00 0.00 C ATOM 586 O THR B 19 14.937 -4.516 -4.351 1.00 0.00 O ATOM 587 CB THR B 19 16.533 -3.474 -6.912 1.00 0.00 C ATOM 588 OG1 THR B 19 16.705 -2.317 -7.738 1.00 0.00 O ATOM 589 CG2 THR B 19 17.117 -4.692 -7.612 1.00 0.00 C ATOM 0 H THR B 19 14.298 -2.413 -5.118 1.00 0.00 H new ATOM 0 HA THR B 19 14.533 -3.981 -7.516 1.00 0.00 H new ATOM 0 HB THR B 19 17.060 -3.326 -5.969 1.00 0.00 H new ATOM 0 HG1 THR B 19 15.892 -2.168 -8.265 1.00 0.00 H new ATOM 0 HG21 THR B 19 18.172 -4.519 -7.824 1.00 0.00 H new ATOM 0 HG22 THR B 19 17.015 -5.565 -6.968 1.00 0.00 H new ATOM 0 HG23 THR B 19 16.583 -4.866 -8.546 1.00 0.00 H new ATOM 597 N GLN B 20 14.760 -6.014 -6.016 1.00 0.00 N ATOM 598 CA GLN B 20 14.622 -7.160 -5.125 1.00 0.00 C ATOM 599 C GLN B 20 15.759 -7.193 -4.109 1.00 0.00 C ATOM 600 O GLN B 20 16.889 -7.555 -4.436 1.00 0.00 O ATOM 601 CB GLN B 20 14.596 -8.457 -5.932 1.00 0.00 C ATOM 602 CG GLN B 20 13.376 -8.588 -6.831 1.00 0.00 C ATOM 603 CD GLN B 20 13.469 -9.772 -7.773 1.00 0.00 C ATOM 604 OE1 GLN B 20 12.853 -9.645 -8.944 1.00 0.00 O flip ATOM 605 NE2 GLN B 20 14.085 -10.789 -7.455 1.00 0.00 N flip ATOM 0 H GLN B 20 14.731 -6.247 -7.009 1.00 0.00 H new ATOM 0 HA GLN B 20 13.681 -7.063 -4.584 1.00 0.00 H new ATOM 0 HB2 GLN B 20 15.496 -8.513 -6.544 1.00 0.00 H new ATOM 0 HB3 GLN B 20 14.624 -9.303 -5.246 1.00 0.00 H new ATOM 0 HG2 GLN B 20 12.484 -8.689 -6.213 1.00 0.00 H new ATOM 0 HG3 GLN B 20 13.259 -7.674 -7.413 1.00 0.00 H new ATOM 0 HE21 GLN B 20 14.544 -10.844 -6.546 1.00 0.00 H new ATOM 0 HE22 GLN B 20 14.137 -11.577 -8.101 1.00 0.00 H new ATOM 614 N GLY B 21 15.448 -6.807 -2.875 1.00 0.00 N ATOM 615 CA GLY B 21 16.450 -6.790 -1.825 1.00 0.00 C ATOM 616 C GLY B 21 16.240 -5.664 -0.826 1.00 0.00 C ATOM 617 O GLY B 21 17.127 -5.365 -0.026 1.00 0.00 O ATOM 0 H GLY B 21 14.518 -6.505 -2.584 1.00 0.00 H new ATOM 0 HA2 GLY B 21 16.433 -7.744 -1.298 1.00 0.00 H new ATOM 0 HA3 GLY B 21 17.438 -6.691 -2.274 1.00 0.00 H new ATOM 621 N GLN B 22 15.067 -5.036 -0.873 1.00 0.00 N ATOM 622 CA GLN B 22 14.740 -3.948 0.024 1.00 0.00 C ATOM 623 C GLN B 22 13.387 -4.199 0.672 1.00 0.00 C ATOM 624 O GLN B 22 12.480 -4.742 0.041 1.00 0.00 O ATOM 625 CB GLN B 22 14.706 -2.627 -0.739 1.00 0.00 C ATOM 626 CG GLN B 22 15.922 -2.396 -1.619 1.00 0.00 C ATOM 627 CD GLN B 22 15.715 -1.267 -2.608 1.00 0.00 C ATOM 628 OE1 GLN B 22 14.859 -0.319 -2.246 1.00 0.00 O flip ATOM 629 NE2 GLN B 22 16.308 -1.252 -3.686 1.00 0.00 N flip ATOM 0 H GLN B 22 14.325 -5.271 -1.533 1.00 0.00 H new ATOM 0 HA GLN B 22 15.505 -3.891 0.798 1.00 0.00 H new ATOM 0 HB2 GLN B 22 13.810 -2.599 -1.359 1.00 0.00 H new ATOM 0 HB3 GLN B 22 14.625 -1.808 -0.025 1.00 0.00 H new ATOM 0 HG2 GLN B 22 16.784 -2.171 -0.991 1.00 0.00 H new ATOM 0 HG3 GLN B 22 16.153 -3.313 -2.162 1.00 0.00 H new ATOM 0 HE21 GLN B 22 16.957 -2.003 -3.921 1.00 0.00 H new ATOM 0 HE22 GLN B 22 16.150 -0.489 -4.344 1.00 0.00 H new ATOM 638 N GLU B 23 13.255 -3.806 1.927 1.00 0.00 N ATOM 639 CA GLU B 23 11.992 -4.002 2.649 1.00 0.00 C ATOM 640 C GLU B 23 11.433 -2.684 3.166 1.00 0.00 C ATOM 641 O GLU B 23 11.988 -1.618 2.909 1.00 0.00 O ATOM 642 CB GLU B 23 12.173 -4.976 3.812 1.00 0.00 C ATOM 643 CG GLU B 23 12.519 -6.388 3.377 1.00 0.00 C ATOM 644 CD GLU B 23 12.745 -7.323 4.551 1.00 0.00 C ATOM 645 OE1 GLU B 23 11.765 -7.942 5.013 1.00 0.00 O ATOM 646 OE2 GLU B 23 13.903 -7.434 5.007 1.00 0.00 O ATOM 0 H GLU B 23 13.992 -3.354 2.469 1.00 0.00 H new ATOM 0 HA GLU B 23 11.280 -4.423 1.940 1.00 0.00 H new ATOM 0 HB2 GLU B 23 12.961 -4.604 4.467 1.00 0.00 H new ATOM 0 HB3 GLU B 23 11.255 -5.001 4.400 1.00 0.00 H new ATOM 0 HG2 GLU B 23 11.714 -6.780 2.755 1.00 0.00 H new ATOM 0 HG3 GLU B 23 13.416 -6.364 2.759 1.00 0.00 H new ATOM 653 N LEU B 24 10.322 -2.768 3.897 1.00 0.00 N ATOM 654 CA LEU B 24 9.684 -1.578 4.450 1.00 0.00 C ATOM 655 C LEU B 24 8.896 -1.889 5.716 1.00 0.00 C ATOM 656 O LEU B 24 8.323 -2.967 5.858 1.00 0.00 O ATOM 657 CB LEU B 24 8.764 -0.943 3.411 1.00 0.00 C ATOM 658 CG LEU B 24 9.406 0.170 2.589 1.00 0.00 C ATOM 659 CD1 LEU B 24 8.811 0.218 1.190 1.00 0.00 C ATOM 660 CD2 LEU B 24 9.243 1.511 3.292 1.00 0.00 C ATOM 0 H LEU B 24 9.848 -3.644 4.118 1.00 0.00 H new ATOM 0 HA LEU B 24 10.476 -0.878 4.715 1.00 0.00 H new ATOM 0 HB2 LEU B 24 8.412 -1.721 2.733 1.00 0.00 H new ATOM 0 HB3 LEU B 24 7.887 -0.542 3.919 1.00 0.00 H new ATOM 0 HG LEU B 24 10.471 -0.041 2.495 1.00 0.00 H new ATOM 0 HD11 LEU B 24 9.283 1.019 0.621 1.00 0.00 H new ATOM 0 HD12 LEU B 24 8.984 -0.734 0.688 1.00 0.00 H new ATOM 0 HD13 LEU B 24 7.739 0.404 1.257 1.00 0.00 H new ATOM 0 HD21 LEU B 24 9.706 2.295 2.693 1.00 0.00 H new ATOM 0 HD22 LEU B 24 8.183 1.729 3.418 1.00 0.00 H new ATOM 0 HD23 LEU B 24 9.723 1.470 4.270 1.00 0.00 H new ATOM 672 N VAL B 25 8.882 -0.925 6.633 1.00 0.00 N ATOM 673 CA VAL B 25 8.161 -1.059 7.894 1.00 0.00 C ATOM 674 C VAL B 25 7.582 0.287 8.319 1.00 0.00 C ATOM 675 O VAL B 25 8.252 1.082 8.978 1.00 0.00 O ATOM 676 CB VAL B 25 9.072 -1.595 9.019 1.00 0.00 C ATOM 677 CG1 VAL B 25 8.324 -1.637 10.343 1.00 0.00 C ATOM 678 CG2 VAL B 25 9.609 -2.974 8.663 1.00 0.00 C ATOM 0 H VAL B 25 9.367 -0.035 6.523 1.00 0.00 H new ATOM 0 HA VAL B 25 7.356 -1.775 7.731 1.00 0.00 H new ATOM 0 HB VAL B 25 9.917 -0.915 9.126 1.00 0.00 H new ATOM 0 HG11 VAL B 25 8.984 -2.018 11.122 1.00 0.00 H new ATOM 0 HG12 VAL B 25 7.994 -0.632 10.606 1.00 0.00 H new ATOM 0 HG13 VAL B 25 7.457 -2.291 10.251 1.00 0.00 H new ATOM 0 HG21 VAL B 25 10.249 -3.334 9.468 1.00 0.00 H new ATOM 0 HG22 VAL B 25 8.777 -3.664 8.524 1.00 0.00 H new ATOM 0 HG23 VAL B 25 10.187 -2.913 7.741 1.00 0.00 H new ATOM 688 N LEU B 26 6.338 0.540 7.926 1.00 0.00 N ATOM 689 CA LEU B 26 5.672 1.794 8.259 1.00 0.00 C ATOM 690 C LEU B 26 4.764 1.632 9.474 1.00 0.00 C ATOM 691 O LEU B 26 3.925 0.732 9.519 1.00 0.00 O ATOM 692 CB LEU B 26 4.859 2.295 7.061 1.00 0.00 C ATOM 693 CG LEU B 26 4.001 3.535 7.327 1.00 0.00 C ATOM 694 CD1 LEU B 26 4.879 4.728 7.675 1.00 0.00 C ATOM 695 CD2 LEU B 26 3.127 3.845 6.122 1.00 0.00 C ATOM 0 H LEU B 26 5.771 -0.106 7.377 1.00 0.00 H new ATOM 0 HA LEU B 26 6.440 2.527 8.504 1.00 0.00 H new ATOM 0 HB2 LEU B 26 5.545 2.517 6.244 1.00 0.00 H new ATOM 0 HB3 LEU B 26 4.209 1.489 6.721 1.00 0.00 H new ATOM 0 HG LEU B 26 3.352 3.329 8.178 1.00 0.00 H new ATOM 0 HD11 LEU B 26 4.252 5.600 7.861 1.00 0.00 H new ATOM 0 HD12 LEU B 26 5.461 4.503 8.569 1.00 0.00 H new ATOM 0 HD13 LEU B 26 5.554 4.937 6.845 1.00 0.00 H new ATOM 0 HD21 LEU B 26 2.524 4.729 6.328 1.00 0.00 H new ATOM 0 HD22 LEU B 26 3.758 4.031 5.253 1.00 0.00 H new ATOM 0 HD23 LEU B 26 2.472 2.998 5.920 1.00 0.00 H new ATOM 707 N THR B 27 4.943 2.508 10.457 1.00 0.00 N ATOM 708 CA THR B 27 4.141 2.470 11.672 1.00 0.00 C ATOM 709 C THR B 27 3.370 3.773 11.863 1.00 0.00 C ATOM 710 O THR B 27 3.888 4.857 11.595 1.00 0.00 O ATOM 711 CB THR B 27 5.019 2.215 12.911 1.00 0.00 C ATOM 712 OG1 THR B 27 4.202 2.120 14.083 1.00 0.00 O ATOM 713 CG2 THR B 27 6.044 3.323 13.090 1.00 0.00 C ATOM 0 H THR B 27 5.638 3.254 10.435 1.00 0.00 H new ATOM 0 HA THR B 27 3.433 1.649 11.562 1.00 0.00 H new ATOM 0 HB THR B 27 5.549 1.274 12.761 1.00 0.00 H new ATOM 0 HG1 THR B 27 3.567 1.380 13.980 1.00 0.00 H new ATOM 0 HG21 THR B 27 6.651 3.118 13.972 1.00 0.00 H new ATOM 0 HG22 THR B 27 6.686 3.370 12.211 1.00 0.00 H new ATOM 0 HG23 THR B 27 5.531 4.276 13.216 1.00 0.00 H new ATOM 721 N LEU B 28 2.128 3.659 12.329 1.00 0.00 N ATOM 722 CA LEU B 28 1.286 4.829 12.555 1.00 0.00 C ATOM 723 C LEU B 28 0.440 4.653 13.816 1.00 0.00 C ATOM 724 O LEU B 28 -0.229 3.635 13.983 1.00 0.00 O ATOM 725 CB LEU B 28 0.375 5.072 11.350 1.00 0.00 C ATOM 726 CG LEU B 28 1.098 5.456 10.054 1.00 0.00 C ATOM 727 CD1 LEU B 28 0.109 5.544 8.901 1.00 0.00 C ATOM 728 CD2 LEU B 28 1.837 6.773 10.225 1.00 0.00 C ATOM 0 H LEU B 28 1.684 2.769 12.557 1.00 0.00 H new ATOM 0 HA LEU B 28 1.937 5.693 12.689 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -0.209 4.170 11.168 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -0.331 5.863 11.602 1.00 0.00 H new ATOM 0 HG LEU B 28 1.829 4.681 9.824 1.00 0.00 H new ATOM 0 HD11 LEU B 28 0.638 5.818 7.988 1.00 0.00 H new ATOM 0 HD12 LEU B 28 -0.376 4.578 8.763 1.00 0.00 H new ATOM 0 HD13 LEU B 28 -0.644 6.300 9.124 1.00 0.00 H new ATOM 0 HD21 LEU B 28 2.344 7.029 9.295 1.00 0.00 H new ATOM 0 HD22 LEU B 28 1.126 7.559 10.479 1.00 0.00 H new ATOM 0 HD23 LEU B 28 2.572 6.677 11.024 1.00 0.00 H new ATOM 740 N PRO B 29 0.456 5.648 14.725 1.00 0.00 N ATOM 741 CA PRO B 29 -0.319 5.591 15.970 1.00 0.00 C ATOM 742 C PRO B 29 -1.820 5.531 15.714 1.00 0.00 C ATOM 743 O PRO B 29 -2.323 6.137 14.770 1.00 0.00 O ATOM 744 CB PRO B 29 0.044 6.897 16.690 1.00 0.00 C ATOM 745 CG PRO B 29 1.300 7.368 16.039 1.00 0.00 C ATOM 746 CD PRO B 29 1.227 6.898 14.618 1.00 0.00 C ATOM 0 HA PRO B 29 -0.087 4.695 16.546 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -0.752 7.635 16.591 1.00 0.00 H new ATOM 0 HB3 PRO B 29 0.192 6.730 17.757 1.00 0.00 H new ATOM 0 HG2 PRO B 29 1.382 8.454 16.088 1.00 0.00 H new ATOM 0 HG3 PRO B 29 2.177 6.960 16.541 1.00 0.00 H new ATOM 0 HD2 PRO B 29 0.730 7.626 13.977 1.00 0.00 H new ATOM 0 HD3 PRO B 29 2.218 6.727 14.197 1.00 0.00 H new ATOM 754 N SER B 30 -2.530 4.792 16.562 1.00 0.00 N ATOM 755 CA SER B 30 -3.975 4.652 16.429 1.00 0.00 C ATOM 756 C SER B 30 -4.651 4.705 17.794 1.00 0.00 C ATOM 757 O SER B 30 -3.985 4.761 18.828 1.00 0.00 O ATOM 758 CB SER B 30 -4.320 3.337 15.729 1.00 0.00 C ATOM 759 OG SER B 30 -3.804 2.227 16.441 1.00 0.00 O ATOM 0 H SER B 30 -2.127 4.281 17.348 1.00 0.00 H new ATOM 0 HA SER B 30 -4.342 5.483 15.826 1.00 0.00 H new ATOM 0 HB2 SER B 30 -5.402 3.243 15.639 1.00 0.00 H new ATOM 0 HB3 SER B 30 -3.915 3.343 14.717 1.00 0.00 H new ATOM 0 HG SER B 30 -4.040 1.399 15.973 1.00 0.00 H new ATOM 765 N ASN B 31 -5.980 4.686 17.790 1.00 0.00 N ATOM 766 CA ASN B 31 -6.750 4.731 19.028 1.00 0.00 C ATOM 767 C ASN B 31 -7.834 3.653 19.033 1.00 0.00 C ATOM 768 O ASN B 31 -8.974 3.910 18.650 1.00 0.00 O ATOM 769 CB ASN B 31 -7.386 6.110 19.211 1.00 0.00 C ATOM 770 CG ASN B 31 -6.354 7.218 19.284 1.00 0.00 C ATOM 771 OD1 ASN B 31 -5.230 7.010 19.742 1.00 0.00 O ATOM 772 ND2 ASN B 31 -6.731 8.408 18.831 1.00 0.00 N ATOM 0 H ASN B 31 -6.546 4.640 16.943 1.00 0.00 H new ATOM 0 HA ASN B 31 -6.068 4.542 19.857 1.00 0.00 H new ATOM 0 HB2 ASN B 31 -8.067 6.306 18.383 1.00 0.00 H new ATOM 0 HB3 ASN B 31 -7.984 6.113 20.123 1.00 0.00 H new ATOM 0 HD21 ASN B 31 -6.080 9.192 18.855 1.00 0.00 H new ATOM 0 HD22 ASN B 31 -7.672 8.538 18.459 1.00 0.00 H new ATOM 779 N PRO B 32 -7.485 2.426 19.462 1.00 0.00 N ATOM 780 CA PRO B 32 -8.436 1.307 19.515 1.00 0.00 C ATOM 781 C PRO B 32 -9.596 1.574 20.469 1.00 0.00 C ATOM 782 O PRO B 32 -10.550 0.797 20.534 1.00 0.00 O ATOM 783 CB PRO B 32 -7.590 0.132 20.022 1.00 0.00 C ATOM 784 CG PRO B 32 -6.177 0.531 19.776 1.00 0.00 C ATOM 785 CD PRO B 32 -6.143 2.024 19.914 1.00 0.00 C ATOM 0 HA PRO B 32 -8.898 1.127 18.544 1.00 0.00 H new ATOM 0 HB2 PRO B 32 -7.768 -0.053 21.081 1.00 0.00 H new ATOM 0 HB3 PRO B 32 -7.837 -0.788 19.492 1.00 0.00 H new ATOM 0 HG2 PRO B 32 -5.507 0.057 20.493 1.00 0.00 H new ATOM 0 HG3 PRO B 32 -5.851 0.223 18.783 1.00 0.00 H new ATOM 0 HD2 PRO B 32 -5.954 2.331 20.943 1.00 0.00 H new ATOM 0 HD3 PRO B 32 -5.360 2.469 19.300 1.00 0.00 H new ATOM 793 N THR B 33 -9.511 2.675 21.208 1.00 0.00 N ATOM 794 CA THR B 33 -10.553 3.040 22.161 1.00 0.00 C ATOM 795 C THR B 33 -11.658 3.853 21.493 1.00 0.00 C ATOM 796 O THR B 33 -12.545 4.378 22.167 1.00 0.00 O ATOM 797 CB THR B 33 -9.977 3.850 23.335 1.00 0.00 C ATOM 798 OG1 THR B 33 -9.372 5.056 22.851 1.00 0.00 O ATOM 799 CG2 THR B 33 -8.947 3.036 24.104 1.00 0.00 C ATOM 0 H THR B 33 -8.731 3.331 21.165 1.00 0.00 H new ATOM 0 HA THR B 33 -10.973 2.108 22.539 1.00 0.00 H new ATOM 0 HB THR B 33 -10.797 4.099 24.009 1.00 0.00 H new ATOM 0 HG1 THR B 33 -9.010 5.566 23.605 1.00 0.00 H new ATOM 0 HG21 THR B 33 -8.555 3.631 24.929 1.00 0.00 H new ATOM 0 HG22 THR B 33 -9.416 2.134 24.498 1.00 0.00 H new ATOM 0 HG23 THR B 33 -8.131 2.758 23.437 1.00 0.00 H new ATOM 807 N THR B 34 -11.602 3.954 20.169 1.00 0.00 N ATOM 808 CA THR B 34 -12.602 4.706 19.420 1.00 0.00 C ATOM 809 C THR B 34 -13.405 3.796 18.495 1.00 0.00 C ATOM 810 O THR B 34 -14.606 3.603 18.690 1.00 0.00 O ATOM 811 CB THR B 34 -11.959 5.830 18.589 1.00 0.00 C ATOM 812 OG1 THR B 34 -11.010 5.284 17.664 1.00 0.00 O ATOM 813 CG2 THR B 34 -11.267 6.843 19.490 1.00 0.00 C ATOM 0 H THR B 34 -10.877 3.526 19.594 1.00 0.00 H new ATOM 0 HA THR B 34 -13.273 5.149 20.155 1.00 0.00 H new ATOM 0 HB THR B 34 -12.751 6.336 18.037 1.00 0.00 H new ATOM 0 HG1 THR B 34 -10.295 4.831 18.158 1.00 0.00 H new ATOM 0 HG21 THR B 34 -10.820 7.628 18.879 1.00 0.00 H new ATOM 0 HG22 THR B 34 -11.996 7.283 20.170 1.00 0.00 H new ATOM 0 HG23 THR B 34 -10.488 6.344 20.067 1.00 0.00 H new ATOM 821 N GLY B 35 -12.737 3.238 17.489 1.00 0.00 N ATOM 822 CA GLY B 35 -13.405 2.360 16.551 1.00 0.00 C ATOM 823 C GLY B 35 -12.837 2.489 15.155 1.00 0.00 C ATOM 824 O GLY B 35 -13.001 1.596 14.323 1.00 0.00 O ATOM 0 H GLY B 35 -11.743 3.380 17.309 1.00 0.00 H new ATOM 0 HA2 GLY B 35 -13.309 1.328 16.888 1.00 0.00 H new ATOM 0 HA3 GLY B 35 -14.470 2.591 16.532 1.00 0.00 H new ATOM 828 N PHE B 36 -12.166 3.608 14.900 1.00 0.00 N ATOM 829 CA PHE B 36 -11.564 3.859 13.602 1.00 0.00 C ATOM 830 C PHE B 36 -10.152 3.293 13.536 1.00 0.00 C ATOM 831 O PHE B 36 -9.196 3.916 13.994 1.00 0.00 O ATOM 832 CB PHE B 36 -11.536 5.358 13.313 1.00 0.00 C ATOM 833 CG PHE B 36 -12.829 5.898 12.774 1.00 0.00 C ATOM 834 CD1 PHE B 36 -14.010 5.746 13.486 1.00 0.00 C ATOM 835 CD2 PHE B 36 -12.866 6.559 11.558 1.00 0.00 C ATOM 836 CE1 PHE B 36 -15.201 6.243 12.992 1.00 0.00 C ATOM 837 CE2 PHE B 36 -14.053 7.057 11.059 1.00 0.00 C ATOM 838 CZ PHE B 36 -15.223 6.900 11.778 1.00 0.00 C ATOM 0 H PHE B 36 -12.027 4.356 15.580 1.00 0.00 H new ATOM 0 HA PHE B 36 -12.171 3.359 12.847 1.00 0.00 H new ATOM 0 HB2 PHE B 36 -11.286 5.890 14.231 1.00 0.00 H new ATOM 0 HB3 PHE B 36 -10.741 5.565 12.597 1.00 0.00 H new ATOM 0 HD1 PHE B 36 -13.998 5.234 14.437 1.00 0.00 H new ATOM 0 HD2 PHE B 36 -11.955 6.687 10.993 1.00 0.00 H new ATOM 0 HE1 PHE B 36 -16.114 6.118 13.555 1.00 0.00 H new ATOM 0 HE2 PHE B 36 -14.067 7.569 10.108 1.00 0.00 H new ATOM 0 HZ PHE B 36 -16.153 7.291 11.391 1.00 0.00 H new ATOM 848 N ARG B 37 -10.036 2.101 12.970 1.00 0.00 N ATOM 849 CA ARG B 37 -8.747 1.437 12.825 1.00 0.00 C ATOM 850 C ARG B 37 -8.080 1.847 11.517 1.00 0.00 C ATOM 851 O ARG B 37 -8.326 2.936 11.000 1.00 0.00 O ATOM 852 CB ARG B 37 -8.930 -0.079 12.855 1.00 0.00 C ATOM 853 CG ARG B 37 -8.009 -0.787 13.836 1.00 0.00 C ATOM 854 CD ARG B 37 -8.418 -0.525 15.275 1.00 0.00 C ATOM 855 NE ARG B 37 -9.788 -0.954 15.537 1.00 0.00 N ATOM 856 CZ ARG B 37 -10.252 -1.251 16.749 1.00 0.00 C ATOM 857 NH1 ARG B 37 -9.455 -1.168 17.805 1.00 0.00 N ATOM 858 NH2 ARG B 37 -11.513 -1.630 16.903 1.00 0.00 N ATOM 0 H ARG B 37 -10.825 1.570 12.601 1.00 0.00 H new ATOM 0 HA ARG B 37 -8.109 1.738 13.656 1.00 0.00 H new ATOM 0 HB2 ARG B 37 -9.964 -0.306 13.113 1.00 0.00 H new ATOM 0 HB3 ARG B 37 -8.756 -0.477 11.855 1.00 0.00 H new ATOM 0 HG2 ARG B 37 -8.025 -1.859 13.642 1.00 0.00 H new ATOM 0 HG3 ARG B 37 -6.984 -0.450 13.681 1.00 0.00 H new ATOM 0 HD2 ARG B 37 -7.738 -1.049 15.947 1.00 0.00 H new ATOM 0 HD3 ARG B 37 -8.323 0.539 15.492 1.00 0.00 H new ATOM 0 HE ARG B 37 -10.427 -1.031 14.746 1.00 0.00 H new ATOM 0 HH11 ARG B 37 -8.484 -0.876 17.690 1.00 0.00 H new ATOM 0 HH12 ARG B 37 -9.812 -1.396 18.733 1.00 0.00 H new ATOM 0 HH21 ARG B 37 -12.129 -1.694 16.092 1.00 0.00 H new ATOM 0 HH22 ARG B 37 -11.867 -1.857 17.832 1.00 0.00 H new ATOM 872 N TRP B 38 -7.236 0.968 10.987 1.00 0.00 N ATOM 873 CA TRP B 38 -6.541 1.239 9.735 1.00 0.00 C ATOM 874 C TRP B 38 -6.869 0.179 8.690 1.00 0.00 C ATOM 875 O TRP B 38 -6.622 -1.007 8.896 1.00 0.00 O ATOM 876 CB TRP B 38 -5.029 1.301 9.962 1.00 0.00 C ATOM 877 CG TRP B 38 -4.590 2.532 10.693 1.00 0.00 C ATOM 878 CD1 TRP B 38 -4.301 2.635 12.023 1.00 0.00 C ATOM 879 CD2 TRP B 38 -4.388 3.835 10.135 1.00 0.00 C ATOM 880 NE1 TRP B 38 -3.931 3.923 12.326 1.00 0.00 N ATOM 881 CE2 TRP B 38 -3.976 4.679 11.184 1.00 0.00 C ATOM 882 CE3 TRP B 38 -4.513 4.371 8.850 1.00 0.00 C ATOM 883 CZ2 TRP B 38 -3.692 6.028 10.986 1.00 0.00 C ATOM 884 CZ3 TRP B 38 -4.232 5.710 8.656 1.00 0.00 C ATOM 885 CH2 TRP B 38 -3.824 6.524 9.720 1.00 0.00 C ATOM 0 H TRP B 38 -7.017 0.063 11.405 1.00 0.00 H new ATOM 0 HA TRP B 38 -6.881 2.206 9.365 1.00 0.00 H new ATOM 0 HB2 TRP B 38 -4.717 0.422 10.525 1.00 0.00 H new ATOM 0 HB3 TRP B 38 -4.522 1.259 8.998 1.00 0.00 H new ATOM 0 HD1 TRP B 38 -4.355 1.823 12.733 1.00 0.00 H new ATOM 0 HE1 TRP B 38 -3.666 4.262 13.251 1.00 0.00 H new ATOM 0 HE3 TRP B 38 -4.824 3.749 8.023 1.00 0.00 H new ATOM 0 HZ2 TRP B 38 -3.379 6.659 11.804 1.00 0.00 H new ATOM 0 HZ3 TRP B 38 -4.329 6.136 7.668 1.00 0.00 H new ATOM 0 HH2 TRP B 38 -3.609 7.566 9.536 1.00 0.00 H new ATOM 896 N GLU B 39 -7.428 0.620 7.567 1.00 0.00 N ATOM 897 CA GLU B 39 -7.794 -0.287 6.487 1.00 0.00 C ATOM 898 C GLU B 39 -6.868 -0.106 5.288 1.00 0.00 C ATOM 899 O GLU B 39 -6.695 1.005 4.788 1.00 0.00 O ATOM 900 CB GLU B 39 -9.245 -0.052 6.063 1.00 0.00 C ATOM 901 CG GLU B 39 -10.255 -0.369 7.154 1.00 0.00 C ATOM 902 CD GLU B 39 -10.217 -1.824 7.576 1.00 0.00 C ATOM 903 OE1 GLU B 39 -9.453 -2.153 8.507 1.00 0.00 O ATOM 904 OE2 GLU B 39 -10.953 -2.635 6.976 1.00 0.00 O ATOM 0 H GLU B 39 -7.637 1.601 7.382 1.00 0.00 H new ATOM 0 HA GLU B 39 -7.691 -1.308 6.854 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -9.363 0.989 5.761 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -9.463 -0.664 5.188 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -10.059 0.262 8.021 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -11.256 -0.123 6.800 1.00 0.00 H new ATOM 911 N LEU B 40 -6.275 -1.204 4.834 1.00 0.00 N ATOM 912 CA LEU B 40 -5.363 -1.166 3.696 1.00 0.00 C ATOM 913 C LEU B 40 -6.102 -1.512 2.405 1.00 0.00 C ATOM 914 O LEU B 40 -6.492 -2.658 2.190 1.00 0.00 O ATOM 915 CB LEU B 40 -4.201 -2.138 3.915 1.00 0.00 C ATOM 916 CG LEU B 40 -2.853 -1.682 3.352 1.00 0.00 C ATOM 917 CD1 LEU B 40 -1.763 -2.684 3.702 1.00 0.00 C ATOM 918 CD2 LEU B 40 -2.934 -1.487 1.845 1.00 0.00 C ATOM 0 H LEU B 40 -6.409 -2.132 5.236 1.00 0.00 H new ATOM 0 HA LEU B 40 -4.965 -0.155 3.607 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -4.090 -2.310 4.986 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -4.460 -3.096 3.463 1.00 0.00 H new ATOM 0 HG LEU B 40 -2.601 -0.724 3.806 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -0.811 -2.344 3.294 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -1.683 -2.771 4.786 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -2.013 -3.656 3.278 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -1.964 -1.163 1.467 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -3.212 -2.428 1.371 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -3.684 -0.730 1.616 1.00 0.00 H new ATOM 930 N ARG B 41 -6.289 -0.510 1.550 1.00 0.00 N ATOM 931 CA ARG B 41 -6.983 -0.706 0.281 1.00 0.00 C ATOM 932 C ARG B 41 -6.087 -1.421 -0.727 1.00 0.00 C ATOM 933 O ARG B 41 -6.340 -2.570 -1.090 1.00 0.00 O ATOM 934 CB ARG B 41 -7.437 0.640 -0.287 1.00 0.00 C ATOM 935 CG ARG B 41 -8.443 1.367 0.591 1.00 0.00 C ATOM 936 CD ARG B 41 -9.766 0.622 0.661 1.00 0.00 C ATOM 937 NE ARG B 41 -10.388 0.487 -0.652 1.00 0.00 N ATOM 938 CZ ARG B 41 -11.548 -0.130 -0.861 1.00 0.00 C ATOM 939 NH1 ARG B 41 -12.207 -0.670 0.156 1.00 0.00 N ATOM 940 NH2 ARG B 41 -12.048 -0.210 -2.087 1.00 0.00 N ATOM 0 H ARG B 41 -5.970 0.445 1.713 1.00 0.00 H new ATOM 0 HA ARG B 41 -7.858 -1.329 0.466 1.00 0.00 H new ATOM 0 HB2 ARG B 41 -6.564 1.277 -0.428 1.00 0.00 H new ATOM 0 HB3 ARG B 41 -7.877 0.479 -1.271 1.00 0.00 H new ATOM 0 HG2 ARG B 41 -8.035 1.480 1.595 1.00 0.00 H new ATOM 0 HG3 ARG B 41 -8.610 2.370 0.200 1.00 0.00 H new ATOM 0 HD2 ARG B 41 -9.603 -0.367 1.088 1.00 0.00 H new ATOM 0 HD3 ARG B 41 -10.444 1.150 1.331 1.00 0.00 H new ATOM 0 HE ARG B 41 -9.906 0.889 -1.456 1.00 0.00 H new ATOM 0 HH11 ARG B 41 -11.824 -0.612 1.100 1.00 0.00 H new ATOM 0 HH12 ARG B 41 -13.096 -1.143 -0.006 1.00 0.00 H new ATOM 0 HH21 ARG B 41 -11.543 0.202 -2.872 1.00 0.00 H new ATOM 0 HH22 ARG B 41 -12.937 -0.683 -2.245 1.00 0.00 H new ATOM 954 N ASN B 42 -5.042 -0.732 -1.176 1.00 0.00 N ATOM 955 CA ASN B 42 -4.109 -1.299 -2.141 1.00 0.00 C ATOM 956 C ASN B 42 -2.822 -1.749 -1.446 1.00 0.00 C ATOM 957 O ASN B 42 -1.950 -0.931 -1.162 1.00 0.00 O ATOM 958 CB ASN B 42 -3.788 -0.268 -3.229 1.00 0.00 C ATOM 959 CG ASN B 42 -2.984 -0.855 -4.375 1.00 0.00 C ATOM 960 OD1 ASN B 42 -2.217 -1.799 -4.193 1.00 0.00 O ATOM 961 ND2 ASN B 42 -3.157 -0.293 -5.565 1.00 0.00 N ATOM 0 H ASN B 42 -4.821 0.221 -0.886 1.00 0.00 H new ATOM 0 HA ASN B 42 -4.574 -2.170 -2.602 1.00 0.00 H new ATOM 0 HB2 ASN B 42 -4.719 0.145 -3.618 1.00 0.00 H new ATOM 0 HB3 ASN B 42 -3.232 0.559 -2.787 1.00 0.00 H new ATOM 0 HD21 ASN B 42 -2.643 -0.643 -6.374 1.00 0.00 H new ATOM 0 HD22 ASN B 42 -3.804 0.489 -5.671 1.00 0.00 H new ATOM 968 N PRO B 43 -2.691 -3.057 -1.156 1.00 0.00 N ATOM 969 CA PRO B 43 -1.507 -3.600 -0.485 1.00 0.00 C ATOM 970 C PRO B 43 -0.327 -3.784 -1.433 1.00 0.00 C ATOM 971 O PRO B 43 0.764 -4.166 -1.008 1.00 0.00 O ATOM 972 CB PRO B 43 -1.997 -4.954 0.023 1.00 0.00 C ATOM 973 CG PRO B 43 -3.012 -5.375 -0.982 1.00 0.00 C ATOM 974 CD PRO B 43 -3.684 -4.111 -1.456 1.00 0.00 C ATOM 0 HA PRO B 43 -1.136 -2.935 0.295 1.00 0.00 H new ATOM 0 HB2 PRO B 43 -1.181 -5.673 0.090 1.00 0.00 H new ATOM 0 HB3 PRO B 43 -2.433 -4.872 1.019 1.00 0.00 H new ATOM 0 HG2 PRO B 43 -2.542 -5.901 -1.813 1.00 0.00 H new ATOM 0 HG3 PRO B 43 -3.737 -6.059 -0.540 1.00 0.00 H new ATOM 0 HD2 PRO B 43 -3.914 -4.154 -2.521 1.00 0.00 H new ATOM 0 HD3 PRO B 43 -4.625 -3.936 -0.933 1.00 0.00 H new ATOM 982 N ALA B 44 -0.553 -3.513 -2.716 1.00 0.00 N ATOM 983 CA ALA B 44 0.493 -3.656 -3.721 1.00 0.00 C ATOM 984 C ALA B 44 1.071 -5.067 -3.704 1.00 0.00 C ATOM 985 O ALA B 44 2.227 -5.280 -4.069 1.00 0.00 O ATOM 986 CB ALA B 44 1.593 -2.630 -3.490 1.00 0.00 C ATOM 0 H ALA B 44 -1.450 -3.194 -3.082 1.00 0.00 H new ATOM 0 HA ALA B 44 0.051 -3.480 -4.702 1.00 0.00 H new ATOM 0 HB1 ALA B 44 2.367 -2.749 -4.248 1.00 0.00 H new ATOM 0 HB2 ALA B 44 1.173 -1.626 -3.554 1.00 0.00 H new ATOM 0 HB3 ALA B 44 2.028 -2.779 -2.502 1.00 0.00 H new ATOM 992 N ALA B 45 0.252 -6.026 -3.283 1.00 0.00 N ATOM 993 CA ALA B 45 0.673 -7.421 -3.213 1.00 0.00 C ATOM 994 C ALA B 45 1.047 -7.958 -4.591 1.00 0.00 C ATOM 995 O ALA B 45 1.530 -9.084 -4.716 1.00 0.00 O ATOM 996 CB ALA B 45 -0.432 -8.267 -2.597 1.00 0.00 C ATOM 0 H ALA B 45 -0.709 -5.862 -2.984 1.00 0.00 H new ATOM 0 HA ALA B 45 1.560 -7.477 -2.583 1.00 0.00 H new ATOM 0 HB1 ALA B 45 -0.110 -9.307 -2.548 1.00 0.00 H new ATOM 0 HB2 ALA B 45 -0.648 -7.907 -1.591 1.00 0.00 H new ATOM 0 HB3 ALA B 45 -1.331 -8.194 -3.210 1.00 0.00 H new ATOM 1002 N SER B 46 0.823 -7.150 -5.621 1.00 0.00 N ATOM 1003 CA SER B 46 1.136 -7.545 -6.989 1.00 0.00 C ATOM 1004 C SER B 46 2.643 -7.654 -7.198 1.00 0.00 C ATOM 1005 O SER B 46 3.113 -8.523 -7.934 1.00 0.00 O ATOM 1006 CB SER B 46 0.544 -6.541 -7.978 1.00 0.00 C ATOM 1007 OG SER B 46 1.068 -5.243 -7.766 1.00 0.00 O ATOM 0 H SER B 46 0.425 -6.215 -5.534 1.00 0.00 H new ATOM 0 HA SER B 46 0.694 -8.526 -7.166 1.00 0.00 H new ATOM 0 HB2 SER B 46 0.759 -6.861 -8.998 1.00 0.00 H new ATOM 0 HB3 SER B 46 -0.541 -6.520 -7.873 1.00 0.00 H new ATOM 0 HG SER B 46 0.674 -4.621 -8.413 1.00 0.00 H new ATOM 1013 N VAL B 47 3.399 -6.771 -6.551 1.00 0.00 N ATOM 1014 CA VAL B 47 4.853 -6.778 -6.681 1.00 0.00 C ATOM 1015 C VAL B 47 5.540 -6.680 -5.321 1.00 0.00 C ATOM 1016 O VAL B 47 6.765 -6.601 -5.243 1.00 0.00 O ATOM 1017 CB VAL B 47 5.345 -5.620 -7.571 1.00 0.00 C ATOM 1018 CG1 VAL B 47 4.723 -5.709 -8.957 1.00 0.00 C ATOM 1019 CG2 VAL B 47 5.034 -4.278 -6.927 1.00 0.00 C ATOM 0 H VAL B 47 3.032 -6.046 -5.935 1.00 0.00 H new ATOM 0 HA VAL B 47 5.116 -7.728 -7.147 1.00 0.00 H new ATOM 0 HB VAL B 47 6.427 -5.704 -7.676 1.00 0.00 H new ATOM 0 HG11 VAL B 47 5.082 -4.883 -9.571 1.00 0.00 H new ATOM 0 HG12 VAL B 47 5.003 -6.655 -9.421 1.00 0.00 H new ATOM 0 HG13 VAL B 47 3.638 -5.653 -8.873 1.00 0.00 H new ATOM 0 HG21 VAL B 47 5.390 -3.474 -7.571 1.00 0.00 H new ATOM 0 HG22 VAL B 47 3.957 -4.182 -6.788 1.00 0.00 H new ATOM 0 HG23 VAL B 47 5.532 -4.215 -5.960 1.00 0.00 H new ATOM 1029 N LEU B 48 4.749 -6.687 -4.252 1.00 0.00 N ATOM 1030 CA LEU B 48 5.296 -6.596 -2.904 1.00 0.00 C ATOM 1031 C LEU B 48 4.794 -7.735 -2.023 1.00 0.00 C ATOM 1032 O LEU B 48 3.590 -7.945 -1.885 1.00 0.00 O ATOM 1033 CB LEU B 48 4.935 -5.249 -2.272 1.00 0.00 C ATOM 1034 CG LEU B 48 5.458 -4.020 -3.021 1.00 0.00 C ATOM 1035 CD1 LEU B 48 4.996 -2.743 -2.333 1.00 0.00 C ATOM 1036 CD2 LEU B 48 6.976 -4.053 -3.117 1.00 0.00 C ATOM 0 H LEU B 48 3.732 -6.754 -4.293 1.00 0.00 H new ATOM 0 HA LEU B 48 6.380 -6.677 -2.980 1.00 0.00 H new ATOM 0 HB2 LEU B 48 3.850 -5.178 -2.201 1.00 0.00 H new ATOM 0 HB3 LEU B 48 5.323 -5.227 -1.254 1.00 0.00 H new ATOM 0 HG LEU B 48 5.052 -4.037 -4.032 1.00 0.00 H new ATOM 0 HD11 LEU B 48 5.376 -1.878 -2.877 1.00 0.00 H new ATOM 0 HD12 LEU B 48 3.907 -2.712 -2.317 1.00 0.00 H new ATOM 0 HD13 LEU B 48 5.374 -2.723 -1.311 1.00 0.00 H new ATOM 0 HD21 LEU B 48 7.326 -3.171 -3.653 1.00 0.00 H new ATOM 0 HD22 LEU B 48 7.404 -4.062 -2.115 1.00 0.00 H new ATOM 0 HD23 LEU B 48 7.287 -4.950 -3.653 1.00 0.00 H new ATOM 1048 N LYS B 49 5.734 -8.471 -1.435 1.00 0.00 N ATOM 1049 CA LYS B 49 5.414 -9.584 -0.565 1.00 0.00 C ATOM 1050 C LYS B 49 5.799 -9.265 0.878 1.00 0.00 C ATOM 1051 O LYS B 49 6.005 -8.105 1.224 1.00 0.00 O ATOM 1052 CB LYS B 49 6.158 -10.824 -1.051 1.00 0.00 C ATOM 1053 CG LYS B 49 5.415 -11.597 -2.117 1.00 0.00 C ATOM 1054 CD LYS B 49 4.200 -12.275 -1.532 1.00 0.00 C ATOM 1055 CE LYS B 49 3.022 -12.238 -2.489 1.00 0.00 C ATOM 1056 NZ LYS B 49 1.861 -13.012 -1.974 1.00 0.00 N ATOM 0 H LYS B 49 6.734 -8.308 -1.552 1.00 0.00 H new ATOM 0 HA LYS B 49 4.340 -9.768 -0.594 1.00 0.00 H new ATOM 0 HB2 LYS B 49 7.130 -10.524 -1.443 1.00 0.00 H new ATOM 0 HB3 LYS B 49 6.345 -11.481 -0.202 1.00 0.00 H new ATOM 0 HG2 LYS B 49 5.112 -10.923 -2.918 1.00 0.00 H new ATOM 0 HG3 LYS B 49 6.076 -12.342 -2.561 1.00 0.00 H new ATOM 0 HD2 LYS B 49 4.441 -13.310 -1.292 1.00 0.00 H new ATOM 0 HD3 LYS B 49 3.925 -11.786 -0.597 1.00 0.00 H new ATOM 0 HE2 LYS B 49 2.723 -11.203 -2.656 1.00 0.00 H new ATOM 0 HE3 LYS B 49 3.327 -12.641 -3.455 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 1.079 -12.961 -2.658 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 2.138 -14.005 -1.839 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 1.553 -12.612 -1.065 1.00 0.00 H new ATOM 1070 N ARG B 50 5.882 -10.295 1.716 1.00 0.00 N ATOM 1071 CA ARG B 50 6.253 -10.125 3.118 1.00 0.00 C ATOM 1072 C ARG B 50 5.159 -9.406 3.904 1.00 0.00 C ATOM 1073 O ARG B 50 5.378 -8.952 5.025 1.00 0.00 O ATOM 1074 CB ARG B 50 7.588 -9.378 3.230 1.00 0.00 C ATOM 1075 CG ARG B 50 8.184 -9.369 4.632 1.00 0.00 C ATOM 1076 CD ARG B 50 8.490 -10.775 5.123 1.00 0.00 C ATOM 1077 NE ARG B 50 9.070 -10.775 6.461 1.00 0.00 N ATOM 1078 CZ ARG B 50 9.330 -11.880 7.154 1.00 0.00 C ATOM 1079 NH1 ARG B 50 9.059 -13.069 6.635 1.00 0.00 N ATOM 1080 NH2 ARG B 50 9.860 -11.795 8.365 1.00 0.00 N ATOM 0 H ARG B 50 5.696 -11.261 1.446 1.00 0.00 H new ATOM 0 HA ARG B 50 6.371 -11.116 3.557 1.00 0.00 H new ATOM 0 HB2 ARG B 50 8.304 -9.833 2.546 1.00 0.00 H new ATOM 0 HB3 ARG B 50 7.444 -8.348 2.902 1.00 0.00 H new ATOM 0 HG2 ARG B 50 9.098 -8.776 4.635 1.00 0.00 H new ATOM 0 HG3 ARG B 50 7.489 -8.887 5.320 1.00 0.00 H new ATOM 0 HD2 ARG B 50 7.573 -11.365 5.126 1.00 0.00 H new ATOM 0 HD3 ARG B 50 9.178 -11.259 4.430 1.00 0.00 H new ATOM 0 HE ARG B 50 9.289 -9.876 6.890 1.00 0.00 H new ATOM 0 HH11 ARG B 50 8.651 -13.137 5.703 1.00 0.00 H new ATOM 0 HH12 ARG B 50 9.259 -13.916 7.168 1.00 0.00 H new ATOM 0 HH21 ARG B 50 10.069 -10.881 8.767 1.00 0.00 H new ATOM 0 HH22 ARG B 50 10.059 -12.643 8.895 1.00 0.00 H new ATOM 1349 N GLU B 71 -0.951 0.984 18.448 1.00 0.00 N ATOM 1350 CA GLU B 71 0.030 1.153 17.380 1.00 0.00 C ATOM 1351 C GLU B 71 -0.158 0.103 16.290 1.00 0.00 C ATOM 1352 O GLU B 71 -0.518 -1.040 16.570 1.00 0.00 O ATOM 1353 CB GLU B 71 1.450 1.068 17.943 1.00 0.00 C ATOM 1354 CG GLU B 71 1.803 2.205 18.888 1.00 0.00 C ATOM 1355 CD GLU B 71 3.237 2.132 19.374 1.00 0.00 C ATOM 1356 OE1 GLU B 71 3.505 1.357 20.317 1.00 0.00 O ATOM 1357 OE2 GLU B 71 4.091 2.852 18.815 1.00 0.00 O ATOM 0 HA GLU B 71 -0.122 2.138 16.939 1.00 0.00 H new ATOM 0 HB2 GLU B 71 1.566 0.121 18.470 1.00 0.00 H new ATOM 0 HB3 GLU B 71 2.159 1.062 17.115 1.00 0.00 H new ATOM 0 HG2 GLU B 71 1.642 3.157 18.382 1.00 0.00 H new ATOM 0 HG3 GLU B 71 1.131 2.182 19.746 1.00 0.00 H new ATOM 1364 N SER B 72 0.091 0.500 15.045 1.00 0.00 N ATOM 1365 CA SER B 72 -0.043 -0.405 13.909 1.00 0.00 C ATOM 1366 C SER B 72 1.323 -0.710 13.303 1.00 0.00 C ATOM 1367 O SER B 72 2.322 -0.082 13.656 1.00 0.00 O ATOM 1368 CB SER B 72 -0.962 0.206 12.849 1.00 0.00 C ATOM 1369 OG SER B 72 -1.124 -0.671 11.747 1.00 0.00 O ATOM 0 H SER B 72 0.387 1.444 14.798 1.00 0.00 H new ATOM 0 HA SER B 72 -0.483 -1.337 14.263 1.00 0.00 H new ATOM 0 HB2 SER B 72 -1.935 0.425 13.289 1.00 0.00 H new ATOM 0 HB3 SER B 72 -0.547 1.154 12.506 1.00 0.00 H new ATOM 0 HG SER B 72 -1.292 -0.149 10.935 1.00 0.00 H new ATOM 1375 N THR B 73 1.364 -1.677 12.390 1.00 0.00 N ATOM 1376 CA THR B 73 2.616 -2.058 11.744 1.00 0.00 C ATOM 1377 C THR B 73 2.368 -2.689 10.377 1.00 0.00 C ATOM 1378 O THR B 73 1.452 -3.493 10.208 1.00 0.00 O ATOM 1379 CB THR B 73 3.416 -3.045 12.615 1.00 0.00 C ATOM 1380 OG1 THR B 73 3.644 -2.481 13.913 1.00 0.00 O ATOM 1381 CG2 THR B 73 4.750 -3.385 11.967 1.00 0.00 C ATOM 0 H THR B 73 0.549 -2.208 12.082 1.00 0.00 H new ATOM 0 HA THR B 73 3.194 -1.143 11.615 1.00 0.00 H new ATOM 0 HB THR B 73 2.833 -3.961 12.712 1.00 0.00 H new ATOM 0 HG1 THR B 73 4.152 -3.115 14.461 1.00 0.00 H new ATOM 0 HG21 THR B 73 5.295 -4.083 12.602 1.00 0.00 H new ATOM 0 HG22 THR B 73 4.575 -3.841 10.992 1.00 0.00 H new ATOM 0 HG23 THR B 73 5.336 -2.475 11.842 1.00 0.00 H new ATOM 1389 N TRP B 74 3.196 -2.314 9.406 1.00 0.00 N ATOM 1390 CA TRP B 74 3.081 -2.841 8.051 1.00 0.00 C ATOM 1391 C TRP B 74 4.463 -3.150 7.481 1.00 0.00 C ATOM 1392 O TRP B 74 5.257 -2.246 7.233 1.00 0.00 O ATOM 1393 CB TRP B 74 2.359 -1.842 7.144 1.00 0.00 C ATOM 1394 CG TRP B 74 0.951 -1.561 7.566 1.00 0.00 C ATOM 1395 CD1 TRP B 74 -0.107 -2.420 7.515 1.00 0.00 C ATOM 1396 CD2 TRP B 74 0.442 -0.329 8.092 1.00 0.00 C ATOM 1397 NE1 TRP B 74 -1.242 -1.802 7.982 1.00 0.00 N ATOM 1398 CE2 TRP B 74 -0.931 -0.518 8.342 1.00 0.00 C ATOM 1399 CE3 TRP B 74 1.016 0.913 8.381 1.00 0.00 C ATOM 1400 CZ2 TRP B 74 -1.737 0.490 8.864 1.00 0.00 C ATOM 1401 CZ3 TRP B 74 0.213 1.912 8.899 1.00 0.00 C ATOM 1402 CH2 TRP B 74 -1.151 1.695 9.137 1.00 0.00 C ATOM 0 H TRP B 74 3.956 -1.645 9.534 1.00 0.00 H new ATOM 0 HA TRP B 74 2.500 -3.762 8.093 1.00 0.00 H new ATOM 0 HB2 TRP B 74 2.919 -0.907 7.129 1.00 0.00 H new ATOM 0 HB3 TRP B 74 2.354 -2.227 6.124 1.00 0.00 H new ATOM 0 HD1 TRP B 74 -0.060 -3.439 7.159 1.00 0.00 H new ATOM 0 HE1 TRP B 74 -2.165 -2.230 8.049 1.00 0.00 H new ATOM 0 HE3 TRP B 74 2.067 1.088 8.203 1.00 0.00 H new ATOM 0 HZ2 TRP B 74 -2.789 0.326 9.047 1.00 0.00 H new ATOM 0 HZ3 TRP B 74 0.644 2.876 9.124 1.00 0.00 H new ATOM 0 HH2 TRP B 74 -1.751 2.495 9.544 1.00 0.00 H new ATOM 1413 N ARG B 75 4.744 -4.435 7.277 1.00 0.00 N ATOM 1414 CA ARG B 75 6.035 -4.856 6.744 1.00 0.00 C ATOM 1415 C ARG B 75 5.883 -5.596 5.421 1.00 0.00 C ATOM 1416 O ARG B 75 4.968 -6.402 5.250 1.00 0.00 O ATOM 1417 CB ARG B 75 6.761 -5.735 7.753 1.00 0.00 C ATOM 1418 CG ARG B 75 5.921 -6.880 8.279 1.00 0.00 C ATOM 1419 CD ARG B 75 6.551 -7.474 9.520 1.00 0.00 C ATOM 1420 NE ARG B 75 5.755 -8.562 10.078 1.00 0.00 N ATOM 1421 CZ ARG B 75 6.097 -9.241 11.170 1.00 0.00 C ATOM 1422 NH1 ARG B 75 7.216 -8.943 11.816 1.00 0.00 N ATOM 1423 NH2 ARG B 75 5.318 -10.216 11.615 1.00 0.00 N ATOM 0 H ARG B 75 4.097 -5.199 7.472 1.00 0.00 H new ATOM 0 HA ARG B 75 6.624 -3.958 6.559 1.00 0.00 H new ATOM 0 HB2 ARG B 75 7.660 -6.139 7.288 1.00 0.00 H new ATOM 0 HB3 ARG B 75 7.085 -5.119 8.592 1.00 0.00 H new ATOM 0 HG2 ARG B 75 4.916 -6.526 8.508 1.00 0.00 H new ATOM 0 HG3 ARG B 75 5.821 -7.648 7.512 1.00 0.00 H new ATOM 0 HD2 ARG B 75 7.548 -7.843 9.278 1.00 0.00 H new ATOM 0 HD3 ARG B 75 6.674 -6.694 10.271 1.00 0.00 H new ATOM 0 HE ARG B 75 4.888 -8.816 9.605 1.00 0.00 H new ATOM 0 HH11 ARG B 75 7.817 -8.192 11.476 1.00 0.00 H new ATOM 0 HH12 ARG B 75 7.476 -9.465 12.653 1.00 0.00 H new ATOM 0 HH21 ARG B 75 4.456 -10.446 11.120 1.00 0.00 H new ATOM 0 HH22 ARG B 75 5.580 -10.736 12.452 1.00 0.00 H new ATOM 1437 N PHE B 76 6.784 -5.312 4.482 1.00 0.00 N ATOM 1438 CA PHE B 76 6.760 -5.955 3.170 1.00 0.00 C ATOM 1439 C PHE B 76 8.179 -6.103 2.614 1.00 0.00 C ATOM 1440 O PHE B 76 9.150 -5.669 3.235 1.00 0.00 O ATOM 1441 CB PHE B 76 5.908 -5.156 2.177 1.00 0.00 C ATOM 1442 CG PHE B 76 5.169 -3.997 2.785 1.00 0.00 C ATOM 1443 CD1 PHE B 76 3.878 -4.156 3.261 1.00 0.00 C ATOM 1444 CD2 PHE B 76 5.764 -2.750 2.874 1.00 0.00 C ATOM 1445 CE1 PHE B 76 3.193 -3.092 3.815 1.00 0.00 C ATOM 1446 CE2 PHE B 76 5.085 -1.682 3.428 1.00 0.00 C ATOM 1447 CZ PHE B 76 3.796 -1.854 3.899 1.00 0.00 C ATOM 0 H PHE B 76 7.541 -4.640 4.606 1.00 0.00 H new ATOM 0 HA PHE B 76 6.317 -6.943 3.299 1.00 0.00 H new ATOM 0 HB2 PHE B 76 6.553 -4.783 1.382 1.00 0.00 H new ATOM 0 HB3 PHE B 76 5.186 -5.828 1.713 1.00 0.00 H new ATOM 0 HD1 PHE B 76 3.401 -5.123 3.198 1.00 0.00 H new ATOM 0 HD2 PHE B 76 6.770 -2.611 2.506 1.00 0.00 H new ATOM 0 HE1 PHE B 76 2.187 -3.229 4.182 1.00 0.00 H new ATOM 0 HE2 PHE B 76 5.560 -0.714 3.493 1.00 0.00 H new ATOM 0 HZ PHE B 76 3.262 -1.021 4.332 1.00 0.00 H new ATOM 1457 N ARG B 77 8.276 -6.708 1.432 1.00 0.00 N ATOM 1458 CA ARG B 77 9.556 -6.934 0.771 1.00 0.00 C ATOM 1459 C ARG B 77 9.369 -6.986 -0.742 1.00 0.00 C ATOM 1460 O ARG B 77 8.386 -7.536 -1.234 1.00 0.00 O ATOM 1461 CB ARG B 77 10.177 -8.244 1.269 1.00 0.00 C ATOM 1462 CG ARG B 77 11.220 -8.840 0.336 1.00 0.00 C ATOM 1463 CD ARG B 77 12.484 -7.998 0.287 1.00 0.00 C ATOM 1464 NE ARG B 77 13.515 -8.619 -0.540 1.00 0.00 N ATOM 1465 CZ ARG B 77 14.630 -9.153 -0.050 1.00 0.00 C ATOM 1466 NH1 ARG B 77 14.863 -9.131 1.255 1.00 0.00 N ATOM 1467 NH2 ARG B 77 15.514 -9.710 -0.867 1.00 0.00 N ATOM 0 H ARG B 77 7.472 -7.054 0.908 1.00 0.00 H new ATOM 0 HA ARG B 77 10.226 -6.108 1.011 1.00 0.00 H new ATOM 0 HB2 ARG B 77 10.636 -8.067 2.242 1.00 0.00 H new ATOM 0 HB3 ARG B 77 9.382 -8.974 1.419 1.00 0.00 H new ATOM 0 HG2 ARG B 77 11.468 -9.849 0.666 1.00 0.00 H new ATOM 0 HG3 ARG B 77 10.802 -8.927 -0.667 1.00 0.00 H new ATOM 0 HD2 ARG B 77 12.248 -7.010 -0.107 1.00 0.00 H new ATOM 0 HD3 ARG B 77 12.866 -7.855 1.298 1.00 0.00 H new ATOM 0 HE ARG B 77 13.372 -8.645 -1.550 1.00 0.00 H new ATOM 0 HH11 ARG B 77 14.186 -8.704 1.887 1.00 0.00 H new ATOM 0 HH12 ARG B 77 15.719 -9.542 1.627 1.00 0.00 H new ATOM 0 HH21 ARG B 77 15.339 -9.729 -1.872 1.00 0.00 H new ATOM 0 HH22 ARG B 77 16.369 -10.119 -0.491 1.00 0.00 H new ATOM 1481 N VAL B 78 10.316 -6.413 -1.480 1.00 0.00 N ATOM 1482 CA VAL B 78 10.239 -6.408 -2.936 1.00 0.00 C ATOM 1483 C VAL B 78 10.498 -7.805 -3.496 1.00 0.00 C ATOM 1484 O VAL B 78 11.647 -8.207 -3.686 1.00 0.00 O ATOM 1485 CB VAL B 78 11.243 -5.414 -3.556 1.00 0.00 C ATOM 1486 CG1 VAL B 78 11.199 -5.482 -5.077 1.00 0.00 C ATOM 1487 CG2 VAL B 78 10.960 -3.999 -3.075 1.00 0.00 C ATOM 0 H VAL B 78 11.140 -5.950 -1.096 1.00 0.00 H new ATOM 0 HA VAL B 78 9.230 -6.092 -3.202 1.00 0.00 H new ATOM 0 HB VAL B 78 12.245 -5.693 -3.231 1.00 0.00 H new ATOM 0 HG11 VAL B 78 11.915 -4.773 -5.494 1.00 0.00 H new ATOM 0 HG12 VAL B 78 11.455 -6.490 -5.404 1.00 0.00 H new ATOM 0 HG13 VAL B 78 10.196 -5.232 -5.424 1.00 0.00 H new ATOM 0 HG21 VAL B 78 11.678 -3.312 -3.523 1.00 0.00 H new ATOM 0 HG22 VAL B 78 9.951 -3.710 -3.368 1.00 0.00 H new ATOM 0 HG23 VAL B 78 11.048 -3.959 -1.989 1.00 0.00 H new ATOM 1497 N ALA B 79 9.420 -8.542 -3.749 1.00 0.00 N ATOM 1498 CA ALA B 79 9.523 -9.895 -4.283 1.00 0.00 C ATOM 1499 C ALA B 79 10.027 -9.884 -5.722 1.00 0.00 C ATOM 1500 O ALA B 79 10.962 -10.605 -6.070 1.00 0.00 O ATOM 1501 CB ALA B 79 8.175 -10.597 -4.200 1.00 0.00 C ATOM 0 H ALA B 79 8.464 -8.223 -3.592 1.00 0.00 H new ATOM 0 HA ALA B 79 10.246 -10.443 -3.679 1.00 0.00 H new ATOM 0 HB1 ALA B 79 8.265 -11.606 -4.602 1.00 0.00 H new ATOM 0 HB2 ALA B 79 7.855 -10.648 -3.159 1.00 0.00 H new ATOM 0 HB3 ALA B 79 7.439 -10.040 -4.779 1.00 0.00 H new ATOM 1507 N ALA B 80 9.397 -9.061 -6.553 1.00 0.00 N ATOM 1508 CA ALA B 80 9.776 -8.949 -7.955 1.00 0.00 C ATOM 1509 C ALA B 80 9.618 -7.522 -8.448 1.00 0.00 C ATOM 1510 O ALA B 80 9.273 -6.621 -7.686 1.00 0.00 O ATOM 1511 CB ALA B 80 8.942 -9.890 -8.808 1.00 0.00 C ATOM 0 H ALA B 80 8.620 -8.461 -6.278 1.00 0.00 H new ATOM 0 HA ALA B 80 10.826 -9.229 -8.043 1.00 0.00 H new ATOM 0 HB1 ALA B 80 9.238 -9.793 -9.852 1.00 0.00 H new ATOM 0 HB2 ALA B 80 9.101 -10.917 -8.479 1.00 0.00 H new ATOM 0 HB3 ALA B 80 7.887 -9.636 -8.705 1.00 0.00 H new ATOM 1517 N SER B 81 9.878 -7.326 -9.733 1.00 0.00 N ATOM 1518 CA SER B 81 9.766 -6.022 -10.344 1.00 0.00 C ATOM 1519 C SER B 81 8.306 -5.635 -10.526 1.00 0.00 C ATOM 1520 O SER B 81 7.412 -6.246 -9.945 1.00 0.00 O ATOM 1521 CB SER B 81 10.482 -6.020 -11.690 1.00 0.00 C ATOM 1522 OG SER B 81 11.886 -6.118 -11.521 1.00 0.00 O ATOM 0 H SER B 81 10.170 -8.065 -10.372 1.00 0.00 H new ATOM 0 HA SER B 81 10.234 -5.288 -9.687 1.00 0.00 H new ATOM 0 HB2 SER B 81 10.126 -6.853 -12.296 1.00 0.00 H new ATOM 0 HB3 SER B 81 10.241 -5.106 -12.232 1.00 0.00 H new ATOM 0 HG SER B 81 12.317 -5.320 -11.893 1.00 0.00 H new ATOM 1528 N GLY B 82 8.079 -4.618 -11.342 1.00 0.00 N ATOM 1529 CA GLY B 82 6.730 -4.149 -11.598 1.00 0.00 C ATOM 1530 C GLY B 82 6.400 -2.886 -10.829 1.00 0.00 C ATOM 1531 O GLY B 82 7.094 -2.531 -9.875 1.00 0.00 O ATOM 0 H GLY B 82 8.809 -4.105 -11.836 1.00 0.00 H new ATOM 0 HA2 GLY B 82 6.610 -3.963 -12.665 1.00 0.00 H new ATOM 0 HA3 GLY B 82 6.020 -4.931 -11.329 1.00 0.00 H new ATOM 1535 N ASP B 83 5.338 -2.205 -11.246 1.00 0.00 N ATOM 1536 CA ASP B 83 4.911 -0.976 -10.591 1.00 0.00 C ATOM 1537 C ASP B 83 3.742 -1.246 -9.653 1.00 0.00 C ATOM 1538 O ASP B 83 3.074 -2.274 -9.756 1.00 0.00 O ATOM 1539 CB ASP B 83 4.513 0.072 -11.634 1.00 0.00 C ATOM 1540 CG ASP B 83 4.095 1.387 -11.006 1.00 0.00 C ATOM 1541 OD1 ASP B 83 2.886 1.562 -10.744 1.00 0.00 O ATOM 1542 OD2 ASP B 83 4.977 2.240 -10.773 1.00 0.00 O ATOM 0 H ASP B 83 4.757 -2.485 -12.036 1.00 0.00 H new ATOM 0 HA ASP B 83 5.747 -0.593 -10.005 1.00 0.00 H new ATOM 0 HB2 ASP B 83 5.352 0.246 -12.308 1.00 0.00 H new ATOM 0 HB3 ASP B 83 3.693 -0.315 -12.239 1.00 0.00 H new ATOM 1547 N ASP B 84 3.500 -0.314 -8.737 1.00 0.00 N ATOM 1548 CA ASP B 84 2.414 -0.449 -7.777 1.00 0.00 C ATOM 1549 C ASP B 84 2.190 0.863 -7.036 1.00 0.00 C ATOM 1550 O ASP B 84 2.874 1.854 -7.290 1.00 0.00 O ATOM 1551 CB ASP B 84 2.729 -1.559 -6.775 1.00 0.00 C ATOM 1552 CG ASP B 84 3.950 -1.247 -5.933 1.00 0.00 C ATOM 1553 OD1 ASP B 84 3.784 -0.967 -4.727 1.00 0.00 O ATOM 1554 OD2 ASP B 84 5.072 -1.279 -6.479 1.00 0.00 O ATOM 0 H ASP B 84 4.043 0.544 -8.640 1.00 0.00 H new ATOM 0 HA ASP B 84 1.505 -0.706 -8.322 1.00 0.00 H new ATOM 0 HB2 ASP B 84 1.869 -1.710 -6.122 1.00 0.00 H new ATOM 0 HB3 ASP B 84 2.890 -2.494 -7.311 1.00 0.00 H new ATOM 1559 N ARG B 85 1.224 0.865 -6.128 1.00 0.00 N ATOM 1560 CA ARG B 85 0.915 2.047 -5.348 1.00 0.00 C ATOM 1561 C ARG B 85 0.145 1.668 -4.088 1.00 0.00 C ATOM 1562 O ARG B 85 -1.044 1.355 -4.148 1.00 0.00 O ATOM 1563 CB ARG B 85 0.101 3.027 -6.185 1.00 0.00 C ATOM 1564 CG ARG B 85 -0.183 4.322 -5.465 1.00 0.00 C ATOM 1565 CD ARG B 85 -1.105 5.217 -6.273 1.00 0.00 C ATOM 1566 NE ARG B 85 -0.486 5.655 -7.522 1.00 0.00 N ATOM 1567 CZ ARG B 85 -1.085 6.453 -8.401 1.00 0.00 C ATOM 1568 NH1 ARG B 85 -2.311 6.901 -8.170 1.00 0.00 N ATOM 1569 NH2 ARG B 85 -0.454 6.806 -9.514 1.00 0.00 N ATOM 0 H ARG B 85 0.641 0.056 -5.916 1.00 0.00 H new ATOM 0 HA ARG B 85 1.850 2.524 -5.053 1.00 0.00 H new ATOM 0 HB2 ARG B 85 0.639 3.241 -7.109 1.00 0.00 H new ATOM 0 HB3 ARG B 85 -0.843 2.560 -6.467 1.00 0.00 H new ATOM 0 HG2 ARG B 85 -0.637 4.109 -4.497 1.00 0.00 H new ATOM 0 HG3 ARG B 85 0.754 4.844 -5.270 1.00 0.00 H new ATOM 0 HD2 ARG B 85 -2.028 4.681 -6.494 1.00 0.00 H new ATOM 0 HD3 ARG B 85 -1.377 6.089 -5.678 1.00 0.00 H new ATOM 0 HE ARG B 85 0.458 5.331 -7.731 1.00 0.00 H new ATOM 0 HH11 ARG B 85 -2.799 6.634 -7.315 1.00 0.00 H new ATOM 0 HH12 ARG B 85 -2.766 7.513 -8.847 1.00 0.00 H new ATOM 0 HH21 ARG B 85 0.490 6.465 -9.695 1.00 0.00 H new ATOM 0 HH22 ARG B 85 -0.913 7.418 -10.188 1.00 0.00 H new ATOM 1583 N LEU B 86 0.828 1.699 -2.950 1.00 0.00 N ATOM 1584 CA LEU B 86 0.206 1.351 -1.679 1.00 0.00 C ATOM 1585 C LEU B 86 -0.838 2.393 -1.288 1.00 0.00 C ATOM 1586 O LEU B 86 -0.539 3.584 -1.211 1.00 0.00 O ATOM 1587 CB LEU B 86 1.266 1.234 -0.583 1.00 0.00 C ATOM 1588 CG LEU B 86 0.905 0.290 0.565 1.00 0.00 C ATOM 1589 CD1 LEU B 86 0.880 -1.151 0.082 1.00 0.00 C ATOM 1590 CD2 LEU B 86 1.886 0.447 1.715 1.00 0.00 C ATOM 0 H LEU B 86 1.811 1.961 -2.882 1.00 0.00 H new ATOM 0 HA LEU B 86 -0.291 0.388 -1.794 1.00 0.00 H new ATOM 0 HB2 LEU B 86 2.198 0.894 -1.034 1.00 0.00 H new ATOM 0 HB3 LEU B 86 1.454 2.226 -0.173 1.00 0.00 H new ATOM 0 HG LEU B 86 -0.090 0.552 0.924 1.00 0.00 H new ATOM 0 HD11 LEU B 86 0.621 -1.809 0.912 1.00 0.00 H new ATOM 0 HD12 LEU B 86 0.138 -1.257 -0.709 1.00 0.00 H new ATOM 0 HD13 LEU B 86 1.863 -1.423 -0.303 1.00 0.00 H new ATOM 0 HD21 LEU B 86 1.612 -0.233 2.522 1.00 0.00 H new ATOM 0 HD22 LEU B 86 2.893 0.213 1.369 1.00 0.00 H new ATOM 0 HD23 LEU B 86 1.857 1.474 2.080 1.00 0.00 H new ATOM 1602 N GLU B 87 -2.060 1.937 -1.039 1.00 0.00 N ATOM 1603 CA GLU B 87 -3.147 2.835 -0.663 1.00 0.00 C ATOM 1604 C GLU B 87 -3.741 2.444 0.687 1.00 0.00 C ATOM 1605 O GLU B 87 -4.300 1.359 0.840 1.00 0.00 O ATOM 1606 CB GLU B 87 -4.240 2.823 -1.735 1.00 0.00 C ATOM 1607 CG GLU B 87 -3.715 3.080 -3.138 1.00 0.00 C ATOM 1608 CD GLU B 87 -4.789 3.580 -4.081 1.00 0.00 C ATOM 1609 OE1 GLU B 87 -4.979 4.811 -4.166 1.00 0.00 O ATOM 1610 OE2 GLU B 87 -5.444 2.741 -4.737 1.00 0.00 O ATOM 0 H GLU B 87 -2.323 0.953 -1.090 1.00 0.00 H new ATOM 0 HA GLU B 87 -2.737 3.841 -0.579 1.00 0.00 H new ATOM 0 HB2 GLU B 87 -4.746 1.858 -1.716 1.00 0.00 H new ATOM 0 HB3 GLU B 87 -4.986 3.579 -1.491 1.00 0.00 H new ATOM 0 HG2 GLU B 87 -2.909 3.812 -3.091 1.00 0.00 H new ATOM 0 HG3 GLU B 87 -3.288 2.160 -3.536 1.00 0.00 H new ATOM 1617 N LEU B 88 -3.614 3.340 1.663 1.00 0.00 N ATOM 1618 CA LEU B 88 -4.140 3.096 2.999 1.00 0.00 C ATOM 1619 C LEU B 88 -5.147 4.174 3.386 1.00 0.00 C ATOM 1620 O LEU B 88 -5.115 5.283 2.855 1.00 0.00 O ATOM 1621 CB LEU B 88 -3.006 3.057 4.028 1.00 0.00 C ATOM 1622 CG LEU B 88 -1.976 1.944 3.824 1.00 0.00 C ATOM 1623 CD1 LEU B 88 -0.997 2.313 2.720 1.00 0.00 C ATOM 1624 CD2 LEU B 88 -1.236 1.659 5.122 1.00 0.00 C ATOM 0 H LEU B 88 -3.151 4.242 1.551 1.00 0.00 H new ATOM 0 HA LEU B 88 -4.643 2.129 2.990 1.00 0.00 H new ATOM 0 HB2 LEU B 88 -2.488 4.016 4.010 1.00 0.00 H new ATOM 0 HB3 LEU B 88 -3.442 2.948 5.021 1.00 0.00 H new ATOM 0 HG LEU B 88 -2.504 1.039 3.523 1.00 0.00 H new ATOM 0 HD11 LEU B 88 -0.273 1.508 2.591 1.00 0.00 H new ATOM 0 HD12 LEU B 88 -1.541 2.465 1.787 1.00 0.00 H new ATOM 0 HD13 LEU B 88 -0.475 3.231 2.989 1.00 0.00 H new ATOM 0 HD21 LEU B 88 -0.507 0.865 4.959 1.00 0.00 H new ATOM 0 HD22 LEU B 88 -0.721 2.561 5.453 1.00 0.00 H new ATOM 0 HD23 LEU B 88 -1.948 1.347 5.886 1.00 0.00 H new ATOM 1636 N VAL B 89 -6.040 3.840 4.312 1.00 0.00 N ATOM 1637 CA VAL B 89 -7.053 4.783 4.768 1.00 0.00 C ATOM 1638 C VAL B 89 -7.306 4.630 6.264 1.00 0.00 C ATOM 1639 O VAL B 89 -6.962 3.609 6.860 1.00 0.00 O ATOM 1640 CB VAL B 89 -8.382 4.601 4.010 1.00 0.00 C ATOM 1641 CG1 VAL B 89 -8.183 4.813 2.517 1.00 0.00 C ATOM 1642 CG2 VAL B 89 -8.978 3.230 4.286 1.00 0.00 C ATOM 0 H VAL B 89 -6.082 2.925 4.760 1.00 0.00 H new ATOM 0 HA VAL B 89 -6.668 5.782 4.565 1.00 0.00 H new ATOM 0 HB VAL B 89 -9.084 5.353 4.370 1.00 0.00 H new ATOM 0 HG11 VAL B 89 -9.134 4.680 2.001 1.00 0.00 H new ATOM 0 HG12 VAL B 89 -7.812 5.822 2.339 1.00 0.00 H new ATOM 0 HG13 VAL B 89 -7.461 4.089 2.140 1.00 0.00 H new ATOM 0 HG21 VAL B 89 -9.916 3.124 3.740 1.00 0.00 H new ATOM 0 HG22 VAL B 89 -8.280 2.458 3.962 1.00 0.00 H new ATOM 0 HG23 VAL B 89 -9.166 3.123 5.354 1.00 0.00 H new ATOM 1652 N TYR B 90 -7.908 5.650 6.866 1.00 0.00 N ATOM 1653 CA TYR B 90 -8.202 5.634 8.294 1.00 0.00 C ATOM 1654 C TYR B 90 -9.707 5.547 8.536 1.00 0.00 C ATOM 1655 O TYR B 90 -10.424 6.539 8.411 1.00 0.00 O ATOM 1656 CB TYR B 90 -7.627 6.885 8.960 1.00 0.00 C ATOM 1657 CG TYR B 90 -7.738 6.893 10.468 1.00 0.00 C ATOM 1658 CD1 TYR B 90 -8.328 7.960 11.131 1.00 0.00 C ATOM 1659 CD2 TYR B 90 -7.251 5.837 11.227 1.00 0.00 C ATOM 1660 CE1 TYR B 90 -8.429 7.977 12.509 1.00 0.00 C ATOM 1661 CE2 TYR B 90 -7.349 5.845 12.605 1.00 0.00 C ATOM 1662 CZ TYR B 90 -7.939 6.915 13.241 1.00 0.00 C ATOM 1663 OH TYR B 90 -8.038 6.927 14.612 1.00 0.00 O ATOM 0 H TYR B 90 -8.202 6.500 6.386 1.00 0.00 H new ATOM 0 HA TYR B 90 -7.736 4.752 8.734 1.00 0.00 H new ATOM 0 HB2 TYR B 90 -6.577 6.979 8.684 1.00 0.00 H new ATOM 0 HB3 TYR B 90 -8.140 7.762 8.565 1.00 0.00 H new ATOM 0 HD1 TYR B 90 -8.715 8.791 10.560 1.00 0.00 H new ATOM 0 HD2 TYR B 90 -6.788 4.996 10.732 1.00 0.00 H new ATOM 0 HE1 TYR B 90 -8.889 8.816 13.010 1.00 0.00 H new ATOM 0 HE2 TYR B 90 -6.965 5.016 13.181 1.00 0.00 H new ATOM 0 HH TYR B 90 -7.646 6.105 14.975 1.00 0.00 H new ATOM 1673 N ARG B 91 -10.175 4.353 8.883 1.00 0.00 N ATOM 1674 CA ARG B 91 -11.593 4.128 9.140 1.00 0.00 C ATOM 1675 C ARG B 91 -11.798 2.874 9.984 1.00 0.00 C ATOM 1676 O ARG B 91 -10.841 2.173 10.307 1.00 0.00 O ATOM 1677 CB ARG B 91 -12.354 3.996 7.820 1.00 0.00 C ATOM 1678 CG ARG B 91 -11.790 2.923 6.903 1.00 0.00 C ATOM 1679 CD ARG B 91 -12.606 2.790 5.630 1.00 0.00 C ATOM 1680 NE ARG B 91 -12.034 1.802 4.717 1.00 0.00 N ATOM 1681 CZ ARG B 91 -12.755 1.087 3.859 1.00 0.00 C ATOM 1682 NH1 ARG B 91 -14.071 1.241 3.801 1.00 0.00 N ATOM 1683 NH2 ARG B 91 -12.159 0.212 3.060 1.00 0.00 N ATOM 0 H ARG B 91 -9.591 3.524 8.993 1.00 0.00 H new ATOM 0 HA ARG B 91 -11.979 4.985 9.692 1.00 0.00 H new ATOM 0 HB2 ARG B 91 -13.399 3.769 8.033 1.00 0.00 H new ATOM 0 HB3 ARG B 91 -12.335 4.954 7.301 1.00 0.00 H new ATOM 0 HG2 ARG B 91 -10.758 3.165 6.650 1.00 0.00 H new ATOM 0 HG3 ARG B 91 -11.774 1.967 7.427 1.00 0.00 H new ATOM 0 HD2 ARG B 91 -13.627 2.504 5.882 1.00 0.00 H new ATOM 0 HD3 ARG B 91 -12.660 3.757 5.131 1.00 0.00 H new ATOM 0 HE ARG B 91 -11.025 1.653 4.740 1.00 0.00 H new ATOM 0 HH11 ARG B 91 -14.534 1.910 4.416 1.00 0.00 H new ATOM 0 HH12 ARG B 91 -14.620 0.690 3.141 1.00 0.00 H new ATOM 0 HH21 ARG B 91 -11.148 0.088 3.104 1.00 0.00 H new ATOM 0 HH22 ARG B 91 -12.712 -0.337 2.402 1.00 0.00 H new ATOM 1697 N ARG B 92 -13.051 2.598 10.335 1.00 0.00 N ATOM 1698 CA ARG B 92 -13.370 1.423 11.139 1.00 0.00 C ATOM 1699 C ARG B 92 -13.004 0.145 10.384 1.00 0.00 C ATOM 1700 O ARG B 92 -13.126 0.085 9.161 1.00 0.00 O ATOM 1701 CB ARG B 92 -14.854 1.419 11.510 1.00 0.00 C ATOM 1702 CG ARG B 92 -15.313 2.702 12.186 1.00 0.00 C ATOM 1703 CD ARG B 92 -16.651 2.520 12.883 1.00 0.00 C ATOM 1704 NE ARG B 92 -17.198 3.785 13.365 1.00 0.00 N ATOM 1705 CZ ARG B 92 -18.499 4.055 13.420 1.00 0.00 C ATOM 1706 NH1 ARG B 92 -19.384 3.152 13.020 1.00 0.00 N ATOM 1707 NH2 ARG B 92 -18.915 5.228 13.874 1.00 0.00 N ATOM 0 H ARG B 92 -13.857 3.168 10.077 1.00 0.00 H new ATOM 0 HA ARG B 92 -12.784 1.461 12.057 1.00 0.00 H new ATOM 0 HB2 ARG B 92 -15.446 1.261 10.608 1.00 0.00 H new ATOM 0 HB3 ARG B 92 -15.053 0.577 12.173 1.00 0.00 H new ATOM 0 HG2 ARG B 92 -14.564 3.019 12.912 1.00 0.00 H new ATOM 0 HG3 ARG B 92 -15.394 3.496 11.444 1.00 0.00 H new ATOM 0 HD2 ARG B 92 -17.358 2.059 12.193 1.00 0.00 H new ATOM 0 HD3 ARG B 92 -16.531 1.835 13.722 1.00 0.00 H new ATOM 0 HE ARG B 92 -16.545 4.503 13.678 1.00 0.00 H new ATOM 0 HH11 ARG B 92 -19.067 2.248 12.669 1.00 0.00 H new ATOM 0 HH12 ARG B 92 -20.381 3.361 13.063 1.00 0.00 H new ATOM 0 HH21 ARG B 92 -18.237 5.925 14.182 1.00 0.00 H new ATOM 0 HH22 ARG B 92 -19.913 5.434 13.916 1.00 0.00 H new ATOM 1721 N PRO B 93 -12.545 -0.894 11.105 1.00 0.00 N ATOM 1722 CA PRO B 93 -12.140 -2.162 10.498 1.00 0.00 C ATOM 1723 C PRO B 93 -13.308 -3.105 10.213 1.00 0.00 C ATOM 1724 O PRO B 93 -13.114 -4.186 9.658 1.00 0.00 O ATOM 1725 CB PRO B 93 -11.224 -2.753 11.562 1.00 0.00 C ATOM 1726 CG PRO B 93 -11.806 -2.285 12.848 1.00 0.00 C ATOM 1727 CD PRO B 93 -12.381 -0.919 12.573 1.00 0.00 C ATOM 0 HA PRO B 93 -11.677 -2.016 9.522 1.00 0.00 H new ATOM 0 HB2 PRO B 93 -11.202 -3.841 11.508 1.00 0.00 H new ATOM 0 HB3 PRO B 93 -10.198 -2.407 11.440 1.00 0.00 H new ATOM 0 HG2 PRO B 93 -12.578 -2.970 13.199 1.00 0.00 H new ATOM 0 HG3 PRO B 93 -11.044 -2.238 13.626 1.00 0.00 H new ATOM 0 HD2 PRO B 93 -13.333 -0.775 13.084 1.00 0.00 H new ATOM 0 HD3 PRO B 93 -11.713 -0.128 12.914 1.00 0.00 H new ATOM 1735 N TRP B 94 -14.519 -2.700 10.592 1.00 0.00 N ATOM 1736 CA TRP B 94 -15.695 -3.529 10.369 1.00 0.00 C ATOM 1737 C TRP B 94 -16.675 -2.860 9.409 1.00 0.00 C ATOM 1738 O TRP B 94 -17.851 -3.224 9.354 1.00 0.00 O ATOM 1739 CB TRP B 94 -16.389 -3.833 11.697 1.00 0.00 C ATOM 1740 CG TRP B 94 -16.789 -2.608 12.461 1.00 0.00 C ATOM 1741 CD1 TRP B 94 -17.847 -1.787 12.199 1.00 0.00 C ATOM 1742 CD2 TRP B 94 -16.138 -2.071 13.617 1.00 0.00 C ATOM 1743 NE1 TRP B 94 -17.890 -0.767 13.119 1.00 0.00 N ATOM 1744 CE2 TRP B 94 -16.853 -0.922 14.000 1.00 0.00 C ATOM 1745 CE3 TRP B 94 -15.021 -2.449 14.366 1.00 0.00 C ATOM 1746 CZ2 TRP B 94 -16.487 -0.147 15.097 1.00 0.00 C ATOM 1747 CZ3 TRP B 94 -14.658 -1.680 15.455 1.00 0.00 C ATOM 1748 CH2 TRP B 94 -15.389 -0.540 15.812 1.00 0.00 C ATOM 0 H TRP B 94 -14.708 -1.809 11.051 1.00 0.00 H new ATOM 0 HA TRP B 94 -15.362 -4.463 9.916 1.00 0.00 H new ATOM 0 HB2 TRP B 94 -17.276 -4.436 11.504 1.00 0.00 H new ATOM 0 HB3 TRP B 94 -15.723 -4.435 12.315 1.00 0.00 H new ATOM 0 HD1 TRP B 94 -18.548 -1.919 11.388 1.00 0.00 H new ATOM 0 HE1 TRP B 94 -18.581 -0.017 13.142 1.00 0.00 H new ATOM 0 HE3 TRP B 94 -14.451 -3.327 14.099 1.00 0.00 H new ATOM 0 HZ2 TRP B 94 -17.049 0.733 15.373 1.00 0.00 H new ATOM 0 HZ3 TRP B 94 -13.796 -1.963 16.041 1.00 0.00 H new ATOM 0 HH2 TRP B 94 -15.080 0.040 16.669 1.00 0.00 H new ATOM 1759 N GLU B 95 -16.187 -1.884 8.651 1.00 0.00 N ATOM 1760 CA GLU B 95 -17.026 -1.170 7.695 1.00 0.00 C ATOM 1761 C GLU B 95 -16.570 -1.429 6.263 1.00 0.00 C ATOM 1762 O GLU B 95 -15.420 -1.170 5.912 1.00 0.00 O ATOM 1763 CB GLU B 95 -17.006 0.331 7.984 1.00 0.00 C ATOM 1764 CG GLU B 95 -17.566 0.695 9.344 1.00 0.00 C ATOM 1765 CD GLU B 95 -19.064 0.474 9.436 1.00 0.00 C ATOM 1766 OE1 GLU B 95 -19.480 -0.665 9.732 1.00 0.00 O ATOM 1767 OE2 GLU B 95 -19.820 1.443 9.211 1.00 0.00 O ATOM 0 H GLU B 95 -15.217 -1.570 8.680 1.00 0.00 H new ATOM 0 HA GLU B 95 -18.045 -1.541 7.804 1.00 0.00 H new ATOM 0 HB2 GLU B 95 -15.980 0.692 7.914 1.00 0.00 H new ATOM 0 HB3 GLU B 95 -17.579 0.848 7.214 1.00 0.00 H new ATOM 0 HG2 GLU B 95 -17.067 0.100 10.109 1.00 0.00 H new ATOM 0 HG3 GLU B 95 -17.343 1.740 9.557 1.00 0.00 H new ATOM 1774 N LYS B 96 -17.482 -1.941 5.442 1.00 0.00 N ATOM 1775 CA LYS B 96 -17.177 -2.232 4.048 1.00 0.00 C ATOM 1776 C LYS B 96 -17.501 -1.032 3.164 1.00 0.00 C ATOM 1777 O LYS B 96 -18.669 -0.730 2.916 1.00 0.00 O ATOM 1778 CB LYS B 96 -17.960 -3.456 3.576 1.00 0.00 C ATOM 1779 CG LYS B 96 -17.635 -3.867 2.151 1.00 0.00 C ATOM 1780 CD LYS B 96 -17.943 -5.334 1.907 1.00 0.00 C ATOM 1781 CE LYS B 96 -19.435 -5.581 1.734 1.00 0.00 C ATOM 1782 NZ LYS B 96 -20.194 -5.353 2.994 1.00 0.00 N ATOM 0 H LYS B 96 -18.438 -2.162 5.720 1.00 0.00 H new ATOM 0 HA LYS B 96 -16.111 -2.444 3.970 1.00 0.00 H new ATOM 0 HB2 LYS B 96 -17.751 -4.292 4.244 1.00 0.00 H new ATOM 0 HB3 LYS B 96 -19.027 -3.247 3.652 1.00 0.00 H new ATOM 0 HG2 LYS B 96 -18.208 -3.254 1.455 1.00 0.00 H new ATOM 0 HG3 LYS B 96 -16.581 -3.678 1.949 1.00 0.00 H new ATOM 0 HD2 LYS B 96 -17.414 -5.673 1.016 1.00 0.00 H new ATOM 0 HD3 LYS B 96 -17.572 -5.927 2.743 1.00 0.00 H new ATOM 0 HE2 LYS B 96 -19.822 -4.924 0.955 1.00 0.00 H new ATOM 0 HE3 LYS B 96 -19.595 -6.605 1.396 1.00 0.00 H new ATOM 0 HZ1 LYS B 96 -20.950 -6.063 3.077 1.00 0.00 H new ATOM 0 HZ2 LYS B 96 -19.550 -5.436 3.807 1.00 0.00 H new ATOM 0 HZ3 LYS B 96 -20.613 -4.401 2.980 1.00 0.00 H new ATOM 1796 N ASP B 97 -16.458 -0.354 2.694 1.00 0.00 N ATOM 1797 CA ASP B 97 -16.626 0.816 1.840 1.00 0.00 C ATOM 1798 C ASP B 97 -17.469 1.880 2.530 1.00 0.00 C ATOM 1799 O ASP B 97 -18.672 1.990 2.288 1.00 0.00 O ATOM 1800 CB ASP B 97 -17.265 0.419 0.507 1.00 0.00 C ATOM 1801 CG ASP B 97 -17.415 1.595 -0.438 1.00 0.00 C ATOM 1802 OD1 ASP B 97 -16.453 1.884 -1.181 1.00 0.00 O ATOM 1803 OD2 ASP B 97 -18.491 2.228 -0.434 1.00 0.00 O ATOM 0 H ASP B 97 -15.487 -0.596 2.891 1.00 0.00 H new ATOM 0 HA ASP B 97 -15.638 1.235 1.646 1.00 0.00 H new ATOM 0 HB2 ASP B 97 -16.657 -0.350 0.031 1.00 0.00 H new ATOM 0 HB3 ASP B 97 -18.245 -0.020 0.694 1.00 0.00 H new ATOM 1808 N ALA B 98 -16.835 2.657 3.403 1.00 0.00 N ATOM 1809 CA ALA B 98 -17.524 3.718 4.129 1.00 0.00 C ATOM 1810 C ALA B 98 -16.713 5.008 4.112 1.00 0.00 C ATOM 1811 O ALA B 98 -15.605 5.049 3.576 1.00 0.00 O ATOM 1812 CB ALA B 98 -17.800 3.284 5.560 1.00 0.00 C ATOM 0 H ALA B 98 -15.843 2.571 3.625 1.00 0.00 H new ATOM 0 HA ALA B 98 -18.474 3.910 3.630 1.00 0.00 H new ATOM 0 HB1 ALA B 98 -18.315 4.085 6.090 1.00 0.00 H new ATOM 0 HB2 ALA B 98 -18.426 2.392 5.555 1.00 0.00 H new ATOM 0 HB3 ALA B 98 -16.858 3.064 6.062 1.00 0.00 H new ATOM 1818 N GLU B 99 -17.271 6.061 4.701 1.00 0.00 N ATOM 1819 CA GLU B 99 -16.596 7.352 4.751 1.00 0.00 C ATOM 1820 C GLU B 99 -15.500 7.357 5.813 1.00 0.00 C ATOM 1821 O GLU B 99 -15.782 7.275 7.009 1.00 0.00 O ATOM 1822 CB GLU B 99 -17.601 8.469 5.030 1.00 0.00 C ATOM 1823 CG GLU B 99 -18.476 8.796 3.834 1.00 0.00 C ATOM 1824 CD GLU B 99 -19.500 9.871 4.136 1.00 0.00 C ATOM 1825 OE1 GLU B 99 -20.620 9.521 4.565 1.00 0.00 O ATOM 1826 OE2 GLU B 99 -19.183 11.063 3.942 1.00 0.00 O ATOM 0 H GLU B 99 -18.187 6.045 5.149 1.00 0.00 H new ATOM 0 HA GLU B 99 -16.133 7.526 3.780 1.00 0.00 H new ATOM 0 HB2 GLU B 99 -18.235 8.178 5.868 1.00 0.00 H new ATOM 0 HB3 GLU B 99 -17.062 9.366 5.335 1.00 0.00 H new ATOM 0 HG2 GLU B 99 -17.846 9.122 3.006 1.00 0.00 H new ATOM 0 HG3 GLU B 99 -18.990 7.892 3.507 1.00 0.00 H new ATOM 1833 N PRO B 100 -14.225 7.452 5.388 1.00 0.00 N ATOM 1834 CA PRO B 100 -13.082 7.463 6.284 1.00 0.00 C ATOM 1835 C PRO B 100 -12.684 8.874 6.703 1.00 0.00 C ATOM 1836 O PRO B 100 -13.020 9.849 6.029 1.00 0.00 O ATOM 1837 CB PRO B 100 -11.971 6.824 5.437 1.00 0.00 C ATOM 1838 CG PRO B 100 -12.465 6.829 4.016 1.00 0.00 C ATOM 1839 CD PRO B 100 -13.787 7.549 3.997 1.00 0.00 C ATOM 0 HA PRO B 100 -13.288 6.939 7.217 1.00 0.00 H new ATOM 0 HB2 PRO B 100 -11.042 7.386 5.527 1.00 0.00 H new ATOM 0 HB3 PRO B 100 -11.763 5.808 5.772 1.00 0.00 H new ATOM 0 HG2 PRO B 100 -11.748 7.327 3.363 1.00 0.00 H new ATOM 0 HG3 PRO B 100 -12.578 5.810 3.646 1.00 0.00 H new ATOM 0 HD2 PRO B 100 -13.679 8.586 3.678 1.00 0.00 H new ATOM 0 HD3 PRO B 100 -14.495 7.078 3.316 1.00 0.00 H new ATOM 1847 N ALA B 101 -11.966 8.975 7.817 1.00 0.00 N ATOM 1848 CA ALA B 101 -11.514 10.265 8.319 1.00 0.00 C ATOM 1849 C ALA B 101 -10.258 10.719 7.589 1.00 0.00 C ATOM 1850 O ALA B 101 -10.294 11.653 6.788 1.00 0.00 O ATOM 1851 CB ALA B 101 -11.260 10.189 9.818 1.00 0.00 C ATOM 0 H ALA B 101 -11.685 8.178 8.388 1.00 0.00 H new ATOM 0 HA ALA B 101 -12.299 10.999 8.134 1.00 0.00 H new ATOM 0 HB1 ALA B 101 -10.923 11.160 10.180 1.00 0.00 H new ATOM 0 HB2 ALA B 101 -12.182 9.911 10.330 1.00 0.00 H new ATOM 0 HB3 ALA B 101 -10.494 9.441 10.020 1.00 0.00 H new ATOM 1857 N GLU B 102 -9.151 10.050 7.873 1.00 0.00 N ATOM 1858 CA GLU B 102 -7.877 10.366 7.242 1.00 0.00 C ATOM 1859 C GLU B 102 -7.710 9.604 5.937 1.00 0.00 C ATOM 1860 O GLU B 102 -8.675 9.080 5.381 1.00 0.00 O ATOM 1861 CB GLU B 102 -6.717 10.027 8.178 1.00 0.00 C ATOM 1862 CG GLU B 102 -6.112 11.233 8.867 1.00 0.00 C ATOM 1863 CD GLU B 102 -5.801 12.366 7.907 1.00 0.00 C ATOM 1864 OE1 GLU B 102 -6.656 13.262 7.752 1.00 0.00 O ATOM 1865 OE2 GLU B 102 -4.703 12.356 7.312 1.00 0.00 O ATOM 0 H GLU B 102 -9.109 9.280 8.541 1.00 0.00 H new ATOM 0 HA GLU B 102 -7.870 11.435 7.029 1.00 0.00 H new ATOM 0 HB2 GLU B 102 -7.067 9.326 8.935 1.00 0.00 H new ATOM 0 HB3 GLU B 102 -5.940 9.518 7.608 1.00 0.00 H new ATOM 0 HG2 GLU B 102 -6.800 11.591 9.633 1.00 0.00 H new ATOM 0 HG3 GLU B 102 -5.196 10.933 9.376 1.00 0.00 H new ATOM 1872 N SER B 103 -6.473 9.547 5.462 1.00 0.00 N ATOM 1873 CA SER B 103 -6.160 8.850 4.219 1.00 0.00 C ATOM 1874 C SER B 103 -4.655 8.821 3.969 1.00 0.00 C ATOM 1875 O SER B 103 -3.910 9.638 4.512 1.00 0.00 O ATOM 1876 CB SER B 103 -6.868 9.515 3.039 1.00 0.00 C ATOM 1877 OG SER B 103 -6.465 10.867 2.894 1.00 0.00 O ATOM 0 H SER B 103 -5.668 9.975 5.919 1.00 0.00 H new ATOM 0 HA SER B 103 -6.514 7.824 4.315 1.00 0.00 H new ATOM 0 HB2 SER B 103 -6.647 8.967 2.123 1.00 0.00 H new ATOM 0 HB3 SER B 103 -7.947 9.468 3.186 1.00 0.00 H new ATOM 0 HG SER B 103 -6.932 11.267 2.131 1.00 0.00 H new ATOM 1883 N PHE B 104 -4.218 7.876 3.144 1.00 0.00 N ATOM 1884 CA PHE B 104 -2.802 7.738 2.818 1.00 0.00 C ATOM 1885 C PHE B 104 -2.621 7.075 1.455 1.00 0.00 C ATOM 1886 O PHE B 104 -3.436 6.251 1.041 1.00 0.00 O ATOM 1887 CB PHE B 104 -2.086 6.921 3.897 1.00 0.00 C ATOM 1888 CG PHE B 104 -0.595 6.879 3.734 1.00 0.00 C ATOM 1889 CD1 PHE B 104 0.204 7.854 4.304 1.00 0.00 C ATOM 1890 CD2 PHE B 104 0.008 5.862 3.014 1.00 0.00 C ATOM 1891 CE1 PHE B 104 1.575 7.819 4.158 1.00 0.00 C ATOM 1892 CE2 PHE B 104 1.381 5.820 2.864 1.00 0.00 C ATOM 1893 CZ PHE B 104 2.167 6.800 3.438 1.00 0.00 C ATOM 0 H PHE B 104 -4.824 7.194 2.688 1.00 0.00 H new ATOM 0 HA PHE B 104 -2.364 8.735 2.778 1.00 0.00 H new ATOM 0 HB2 PHE B 104 -2.324 7.340 4.875 1.00 0.00 H new ATOM 0 HB3 PHE B 104 -2.473 5.902 3.884 1.00 0.00 H new ATOM 0 HD1 PHE B 104 -0.252 8.653 4.870 1.00 0.00 H new ATOM 0 HD2 PHE B 104 -0.602 5.092 2.564 1.00 0.00 H new ATOM 0 HE1 PHE B 104 2.186 8.589 4.607 1.00 0.00 H new ATOM 0 HE2 PHE B 104 1.839 5.022 2.299 1.00 0.00 H new ATOM 0 HZ PHE B 104 3.241 6.770 3.324 1.00 0.00 H new ATOM 1903 N SER B 105 -1.546 7.441 0.763 1.00 0.00 N ATOM 1904 CA SER B 105 -1.253 6.882 -0.551 1.00 0.00 C ATOM 1905 C SER B 105 0.219 7.067 -0.901 1.00 0.00 C ATOM 1906 O SER B 105 0.805 8.112 -0.613 1.00 0.00 O ATOM 1907 CB SER B 105 -2.130 7.541 -1.617 1.00 0.00 C ATOM 1908 OG SER B 105 -1.922 8.942 -1.656 1.00 0.00 O ATOM 0 H SER B 105 -0.863 8.123 1.092 1.00 0.00 H new ATOM 0 HA SER B 105 -1.471 5.814 -0.522 1.00 0.00 H new ATOM 0 HB2 SER B 105 -1.907 7.110 -2.593 1.00 0.00 H new ATOM 0 HB3 SER B 105 -3.179 7.332 -1.409 1.00 0.00 H new ATOM 0 HG SER B 105 -2.493 9.338 -2.347 1.00 0.00 H new ATOM 1914 N CYS B 106 0.814 6.054 -1.521 1.00 0.00 N ATOM 1915 CA CYS B 106 2.221 6.117 -1.900 1.00 0.00 C ATOM 1916 C CYS B 106 2.498 5.290 -3.152 1.00 0.00 C ATOM 1917 O CYS B 106 2.023 4.161 -3.281 1.00 0.00 O ATOM 1918 CB CYS B 106 3.098 5.626 -0.748 1.00 0.00 C ATOM 1919 SG CYS B 106 4.731 6.425 -0.667 1.00 0.00 S ATOM 0 H CYS B 106 0.346 5.183 -1.771 1.00 0.00 H new ATOM 0 HA CYS B 106 2.461 7.157 -2.121 1.00 0.00 H new ATOM 0 HB2 CYS B 106 2.574 5.798 0.192 1.00 0.00 H new ATOM 0 HB3 CYS B 106 3.236 4.549 -0.844 1.00 0.00 H new ATOM 1924 N ALA B 107 3.272 5.861 -4.069 1.00 0.00 N ATOM 1925 CA ALA B 107 3.622 5.184 -5.313 1.00 0.00 C ATOM 1926 C ALA B 107 4.932 4.418 -5.170 1.00 0.00 C ATOM 1927 O ALA B 107 5.886 4.906 -4.566 1.00 0.00 O ATOM 1928 CB ALA B 107 3.715 6.186 -6.452 1.00 0.00 C ATOM 0 H ALA B 107 3.670 6.795 -3.973 1.00 0.00 H new ATOM 0 HA ALA B 107 2.834 4.466 -5.541 1.00 0.00 H new ATOM 0 HB1 ALA B 107 3.977 5.666 -7.374 1.00 0.00 H new ATOM 0 HB2 ALA B 107 2.754 6.685 -6.577 1.00 0.00 H new ATOM 0 HB3 ALA B 107 4.481 6.927 -6.223 1.00 0.00 H new ATOM 1934 N ILE B 108 4.964 3.216 -5.730 1.00 0.00 N ATOM 1935 CA ILE B 108 6.149 2.368 -5.670 1.00 0.00 C ATOM 1936 C ILE B 108 6.361 1.635 -6.988 1.00 0.00 C ATOM 1937 O ILE B 108 5.402 1.261 -7.660 1.00 0.00 O ATOM 1938 CB ILE B 108 6.036 1.332 -4.533 1.00 0.00 C ATOM 1939 CG1 ILE B 108 5.943 2.039 -3.180 1.00 0.00 C ATOM 1940 CG2 ILE B 108 7.220 0.373 -4.558 1.00 0.00 C ATOM 1941 CD1 ILE B 108 5.636 1.109 -2.027 1.00 0.00 C ATOM 0 H ILE B 108 4.179 2.804 -6.234 1.00 0.00 H new ATOM 0 HA ILE B 108 7.001 3.020 -5.477 1.00 0.00 H new ATOM 0 HB ILE B 108 5.126 0.751 -4.684 1.00 0.00 H new ATOM 0 HG12 ILE B 108 6.885 2.550 -2.982 1.00 0.00 H new ATOM 0 HG13 ILE B 108 5.170 2.805 -3.233 1.00 0.00 H new ATOM 0 HG21 ILE B 108 7.120 -0.349 -3.748 1.00 0.00 H new ATOM 0 HG22 ILE B 108 7.242 -0.153 -5.512 1.00 0.00 H new ATOM 0 HG23 ILE B 108 8.146 0.934 -4.432 1.00 0.00 H new ATOM 0 HD11 ILE B 108 5.586 1.682 -1.101 1.00 0.00 H new ATOM 0 HD12 ILE B 108 4.679 0.617 -2.202 1.00 0.00 H new ATOM 0 HD13 ILE B 108 6.422 0.358 -1.947 1.00 0.00 H new ATOM 1953 N GLN B 109 7.620 1.435 -7.352 1.00 0.00 N ATOM 1954 CA GLN B 109 7.953 0.738 -8.588 1.00 0.00 C ATOM 1955 C GLN B 109 9.268 -0.013 -8.441 1.00 0.00 C ATOM 1956 O GLN B 109 10.053 0.270 -7.536 1.00 0.00 O ATOM 1957 CB GLN B 109 8.038 1.731 -9.752 1.00 0.00 C ATOM 1958 CG GLN B 109 8.084 1.065 -11.117 1.00 0.00 C ATOM 1959 CD GLN B 109 8.180 2.067 -12.251 1.00 0.00 C ATOM 1960 OE1 GLN B 109 8.743 3.150 -12.094 1.00 0.00 O ATOM 1961 NE2 GLN B 109 7.625 1.709 -13.403 1.00 0.00 N ATOM 0 H GLN B 109 8.427 1.745 -6.810 1.00 0.00 H new ATOM 0 HA GLN B 109 7.164 0.016 -8.799 1.00 0.00 H new ATOM 0 HB2 GLN B 109 7.178 2.400 -9.712 1.00 0.00 H new ATOM 0 HB3 GLN B 109 8.928 2.348 -9.628 1.00 0.00 H new ATOM 0 HG2 GLN B 109 8.939 0.390 -11.160 1.00 0.00 H new ATOM 0 HG3 GLN B 109 7.190 0.455 -11.250 1.00 0.00 H new ATOM 0 HE21 GLN B 109 7.168 0.801 -13.489 1.00 0.00 H new ATOM 0 HE22 GLN B 109 7.655 2.342 -14.202 1.00 0.00 H new ATOM 1970 N VAL B 110 9.503 -0.980 -9.323 1.00 0.00 N ATOM 1971 CA VAL B 110 10.731 -1.765 -9.282 1.00 0.00 C ATOM 1972 C VAL B 110 11.309 -1.952 -10.679 1.00 0.00 C ATOM 1973 O VAL B 110 10.589 -1.886 -11.676 1.00 0.00 O ATOM 1974 CB VAL B 110 10.500 -3.150 -8.648 1.00 0.00 C ATOM 1975 CG1 VAL B 110 11.827 -3.850 -8.385 1.00 0.00 C ATOM 1976 CG2 VAL B 110 9.705 -3.024 -7.360 1.00 0.00 C ATOM 0 H VAL B 110 8.861 -1.238 -10.072 1.00 0.00 H new ATOM 0 HA VAL B 110 11.437 -1.208 -8.667 1.00 0.00 H new ATOM 0 HB VAL B 110 9.925 -3.753 -9.351 1.00 0.00 H new ATOM 0 HG11 VAL B 110 11.641 -4.826 -7.937 1.00 0.00 H new ATOM 0 HG12 VAL B 110 12.363 -3.978 -9.325 1.00 0.00 H new ATOM 0 HG13 VAL B 110 12.428 -3.247 -7.704 1.00 0.00 H new ATOM 0 HG21 VAL B 110 9.553 -4.013 -6.928 1.00 0.00 H new ATOM 0 HG22 VAL B 110 10.253 -2.400 -6.654 1.00 0.00 H new ATOM 0 HG23 VAL B 110 8.738 -2.568 -7.572 1.00 0.00 H new ATOM 1986 N ARG B 111 12.616 -2.184 -10.742 1.00 0.00 N ATOM 1987 CA ARG B 111 13.301 -2.383 -12.012 1.00 0.00 C ATOM 1988 C ARG B 111 14.413 -3.420 -11.877 1.00 0.00 C ATOM 1989 O ARG B 111 14.142 -4.611 -12.135 1.00 0.00 O ATOM 1990 CB ARG B 111 13.876 -1.062 -12.512 1.00 0.00 C ATOM 1991 CG ARG B 111 12.853 -0.166 -13.172 1.00 0.00 C ATOM 1992 CD ARG B 111 12.402 -0.757 -14.485 1.00 0.00 C ATOM 1993 NE ARG B 111 11.404 0.074 -15.155 1.00 0.00 N ATOM 1994 CZ ARG B 111 10.961 -0.155 -16.387 1.00 0.00 C ATOM 1995 NH1 ARG B 111 11.424 -1.185 -17.082 1.00 0.00 N ATOM 1996 NH2 ARG B 111 10.053 0.647 -16.928 1.00 0.00 N ATOM 1997 OXT ARG B 111 15.542 -3.031 -11.515 1.00 0.00 O ATOM 0 H ARG B 111 13.223 -2.239 -9.924 1.00 0.00 H new ATOM 0 HA ARG B 111 12.574 -2.753 -12.735 1.00 0.00 H new ATOM 0 HB2 ARG B 111 14.324 -0.530 -11.673 1.00 0.00 H new ATOM 0 HB3 ARG B 111 14.676 -1.270 -13.222 1.00 0.00 H new ATOM 0 HG2 ARG B 111 11.996 -0.035 -12.512 1.00 0.00 H new ATOM 0 HG3 ARG B 111 13.281 0.823 -13.339 1.00 0.00 H new ATOM 0 HD2 ARG B 111 13.265 -0.883 -15.139 1.00 0.00 H new ATOM 0 HD3 ARG B 111 11.987 -1.750 -14.310 1.00 0.00 H new ATOM 0 HE ARG B 111 11.026 0.875 -14.649 1.00 0.00 H new ATOM 0 HH11 ARG B 111 12.122 -1.805 -16.671 1.00 0.00 H new ATOM 0 HH12 ARG B 111 11.082 -1.358 -18.027 1.00 0.00 H new ATOM 0 HH21 ARG B 111 9.694 1.441 -16.398 1.00 0.00 H new ATOM 0 HH22 ARG B 111 9.714 0.469 -17.874 1.00 0.00 H new