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=0.000351 USER MOD Single : B 14 SER OG : rot 1:sc= 1.12 USER MOD Single : B 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 THR OG1 : rot 180:sc= 0 USER MOD Single : B 20 GLN :FLIP amide:sc= -2.38! C(o=-4!,f=-2.4!) USER MOD Single : B 22 GLN : amide:sc= -2.6! C(o=-2.6!,f=-5.5!) USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 30 SER OG : rot 30:sc= 0.607 USER MOD Single : B 31 ASN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : B 33 THR OG1 : rot 180:sc= 0 USER MOD Single : B 34 THR OG1 : rot -69:sc= 0.881 USER MOD Single : B 42 ASN : amide:sc= -0.757 X(o=-0.76,f=-0.39) USER MOD Single : B 46 SER OG : rot 180:sc= 0 USER MOD Single : B 49 LYS NZ :NH3+ -157:sc= -4.82! (180deg=-5.44!) USER MOD Single : B 72 SER OG : rot 180:sc= -0.0167 USER MOD Single : B 73 THR OG1 : rot 180:sc= 0 USER MOD Single : B 81 SER OG : rot 180:sc=-0.00192 USER MOD Single : B 90 TYR OH : rot 180:sc= 0 USER MOD Single : B 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 103 SER OG : rot 180:sc= -0.317 USER MOD Single : B 105 SER OG : rot 26:sc= 0.537 USER MOD Single : B 109 GLN :FLIP amide:sc= -3.26! C(o=-3.8!,f=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 381 N VAL B 5 13.494 1.882 4.626 1.00 0.00 N ATOM 382 CA VAL B 5 13.246 3.291 4.874 1.00 0.00 C ATOM 383 C VAL B 5 11.761 3.547 5.107 1.00 0.00 C ATOM 384 O VAL B 5 10.952 3.493 4.182 1.00 0.00 O ATOM 385 CB VAL B 5 13.743 4.155 3.700 1.00 0.00 C ATOM 386 CG1 VAL B 5 13.271 3.570 2.378 1.00 0.00 C ATOM 387 CG2 VAL B 5 13.279 5.594 3.854 1.00 0.00 C ATOM 0 HA VAL B 5 13.799 3.569 5.772 1.00 0.00 H new ATOM 0 HB VAL B 5 14.833 4.154 3.707 1.00 0.00 H new ATOM 0 HG11 VAL B 5 13.629 4.191 1.557 1.00 0.00 H new ATOM 0 HG12 VAL B 5 13.663 2.559 2.267 1.00 0.00 H new ATOM 0 HG13 VAL B 5 12.182 3.540 2.362 1.00 0.00 H new ATOM 0 HG21 VAL B 5 13.642 6.185 3.013 1.00 0.00 H new ATOM 0 HG22 VAL B 5 12.190 5.625 3.876 1.00 0.00 H new ATOM 0 HG23 VAL B 5 13.672 6.006 4.784 1.00 0.00 H new ATOM 397 N THR B 6 11.416 3.824 6.354 1.00 0.00 N ATOM 398 CA THR B 6 10.035 4.079 6.733 1.00 0.00 C ATOM 399 C THR B 6 9.559 5.441 6.231 1.00 0.00 C ATOM 400 O THR B 6 10.367 6.302 5.883 1.00 0.00 O ATOM 401 CB THR B 6 9.863 4.021 8.261 1.00 0.00 C ATOM 402 OG1 THR B 6 10.709 3.002 8.810 1.00 0.00 O ATOM 403 CG2 THR B 6 8.419 3.729 8.627 1.00 0.00 C ATOM 0 H THR B 6 12.079 3.878 7.127 1.00 0.00 H new ATOM 0 HA THR B 6 9.431 3.299 6.269 1.00 0.00 H new ATOM 0 HB THR B 6 10.142 4.990 8.674 1.00 0.00 H new ATOM 0 HG1 THR B 6 10.596 2.972 9.783 1.00 0.00 H new ATOM 0 HG21 THR B 6 8.319 3.692 9.712 1.00 0.00 H new ATOM 0 HG22 THR B 6 7.777 4.515 8.230 1.00 0.00 H new ATOM 0 HG23 THR B 6 8.123 2.770 8.203 1.00 0.00 H new ATOM 411 N LEU B 7 8.244 5.623 6.200 1.00 0.00 N ATOM 412 CA LEU B 7 7.648 6.875 5.745 1.00 0.00 C ATOM 413 C LEU B 7 6.757 7.478 6.824 1.00 0.00 C ATOM 414 O LEU B 7 6.732 7.004 7.961 1.00 0.00 O ATOM 415 CB LEU B 7 6.834 6.639 4.471 1.00 0.00 C ATOM 416 CG LEU B 7 7.660 6.396 3.208 1.00 0.00 C ATOM 417 CD1 LEU B 7 6.806 5.746 2.133 1.00 0.00 C ATOM 418 CD2 LEU B 7 8.252 7.703 2.701 1.00 0.00 C ATOM 0 H LEU B 7 7.567 4.916 6.486 1.00 0.00 H new ATOM 0 HA LEU B 7 8.454 7.577 5.532 1.00 0.00 H new ATOM 0 HB2 LEU B 7 6.181 5.781 4.630 1.00 0.00 H new ATOM 0 HB3 LEU B 7 6.190 7.503 4.305 1.00 0.00 H new ATOM 0 HG LEU B 7 8.478 5.719 3.454 1.00 0.00 H new ATOM 0 HD11 LEU B 7 7.409 5.580 1.240 1.00 0.00 H new ATOM 0 HD12 LEU B 7 6.427 4.791 2.498 1.00 0.00 H new ATOM 0 HD13 LEU B 7 5.969 6.400 1.889 1.00 0.00 H new ATOM 0 HD21 LEU B 7 8.837 7.513 1.801 1.00 0.00 H new ATOM 0 HD22 LEU B 7 7.448 8.401 2.470 1.00 0.00 H new ATOM 0 HD23 LEU B 7 8.896 8.133 3.468 1.00 0.00 H new ATOM 430 N ASP B 8 6.027 8.527 6.459 1.00 0.00 N ATOM 431 CA ASP B 8 5.130 9.201 7.392 1.00 0.00 C ATOM 432 C ASP B 8 4.201 10.159 6.655 1.00 0.00 C ATOM 433 O ASP B 8 3.085 10.427 7.103 1.00 0.00 O ATOM 434 CB ASP B 8 5.933 9.963 8.449 1.00 0.00 C ATOM 435 CG ASP B 8 5.048 10.681 9.445 1.00 0.00 C ATOM 436 OD1 ASP B 8 4.704 11.856 9.196 1.00 0.00 O ATOM 437 OD2 ASP B 8 4.693 10.069 10.475 1.00 0.00 O ATOM 0 H ASP B 8 6.039 8.930 5.522 1.00 0.00 H new ATOM 0 HA ASP B 8 4.524 8.441 7.886 1.00 0.00 H new ATOM 0 HB2 ASP B 8 6.581 9.266 8.980 1.00 0.00 H new ATOM 0 HB3 ASP B 8 6.581 10.687 7.956 1.00 0.00 H new ATOM 442 N ASP B 9 4.667 10.674 5.521 1.00 0.00 N ATOM 443 CA ASP B 9 3.880 11.602 4.719 1.00 0.00 C ATOM 444 C ASP B 9 3.633 11.036 3.324 1.00 0.00 C ATOM 445 O ASP B 9 4.331 10.124 2.884 1.00 0.00 O ATOM 446 CB ASP B 9 4.594 12.952 4.624 1.00 0.00 C ATOM 447 CG ASP B 9 3.751 14.007 3.935 1.00 0.00 C ATOM 448 OD1 ASP B 9 4.079 14.369 2.787 1.00 0.00 O ATOM 449 OD2 ASP B 9 2.765 14.470 4.543 1.00 0.00 O ATOM 0 H ASP B 9 5.588 10.463 5.137 1.00 0.00 H new ATOM 0 HA ASP B 9 2.915 11.745 5.206 1.00 0.00 H new ATOM 0 HB2 ASP B 9 4.851 13.295 5.626 1.00 0.00 H new ATOM 0 HB3 ASP B 9 5.530 12.827 4.080 1.00 0.00 H new ATOM 454 N ALA B 10 2.637 11.583 2.632 1.00 0.00 N ATOM 455 CA ALA B 10 2.297 11.126 1.289 1.00 0.00 C ATOM 456 C ALA B 10 2.938 12.004 0.219 1.00 0.00 C ATOM 457 O ALA B 10 3.313 11.521 -0.848 1.00 0.00 O ATOM 458 CB ALA B 10 0.786 11.096 1.112 1.00 0.00 C ATOM 0 H ALA B 10 2.052 12.343 2.979 1.00 0.00 H new ATOM 0 HA ALA B 10 2.691 10.117 1.170 1.00 0.00 H new ATOM 0 HB1 ALA B 10 0.544 10.753 0.106 1.00 0.00 H new ATOM 0 HB2 ALA B 10 0.348 10.416 1.842 1.00 0.00 H new ATOM 0 HB3 ALA B 10 0.382 12.097 1.261 1.00 0.00 H new ATOM 464 N ASP B 11 3.059 13.295 0.511 1.00 0.00 N ATOM 465 CA ASP B 11 3.652 14.239 -0.431 1.00 0.00 C ATOM 466 C ASP B 11 5.131 13.933 -0.657 1.00 0.00 C ATOM 467 O ASP B 11 5.719 14.370 -1.647 1.00 0.00 O ATOM 468 CB ASP B 11 3.487 15.671 0.078 1.00 0.00 C ATOM 469 CG ASP B 11 4.038 16.698 -0.892 1.00 0.00 C ATOM 470 OD1 ASP B 11 3.278 17.152 -1.772 1.00 0.00 O ATOM 471 OD2 ASP B 11 5.232 17.046 -0.773 1.00 0.00 O ATOM 0 H ASP B 11 2.755 13.712 1.391 1.00 0.00 H new ATOM 0 HA ASP B 11 3.131 14.136 -1.383 1.00 0.00 H new ATOM 0 HB2 ASP B 11 2.430 15.872 0.253 1.00 0.00 H new ATOM 0 HB3 ASP B 11 3.994 15.773 1.037 1.00 0.00 H new ATOM 476 N ASP B 12 5.726 13.181 0.264 1.00 0.00 N ATOM 477 CA ASP B 12 7.136 12.821 0.162 1.00 0.00 C ATOM 478 C ASP B 12 7.323 11.586 -0.713 1.00 0.00 C ATOM 479 O ASP B 12 8.448 11.214 -1.045 1.00 0.00 O ATOM 480 CB ASP B 12 7.722 12.569 1.554 1.00 0.00 C ATOM 481 CG ASP B 12 7.846 13.843 2.365 1.00 0.00 C ATOM 482 OD1 ASP B 12 8.962 14.403 2.423 1.00 0.00 O ATOM 483 OD2 ASP B 12 6.829 14.282 2.942 1.00 0.00 O ATOM 0 H ASP B 12 5.254 12.810 1.088 1.00 0.00 H new ATOM 0 HA ASP B 12 7.664 13.654 -0.302 1.00 0.00 H new ATOM 0 HB2 ASP B 12 7.090 11.860 2.089 1.00 0.00 H new ATOM 0 HB3 ASP B 12 8.704 12.107 1.454 1.00 0.00 H new ATOM 488 N CYS B 13 6.212 10.955 -1.084 1.00 0.00 N ATOM 489 CA CYS B 13 6.258 9.762 -1.921 1.00 0.00 C ATOM 490 C CYS B 13 6.268 10.124 -3.402 1.00 0.00 C ATOM 491 O CYS B 13 5.803 11.193 -3.796 1.00 0.00 O ATOM 492 CB CYS B 13 5.067 8.854 -1.621 1.00 0.00 C ATOM 493 SG CYS B 13 5.222 7.914 -0.068 1.00 0.00 S ATOM 0 H CYS B 13 5.272 11.250 -0.819 1.00 0.00 H new ATOM 0 HA CYS B 13 7.182 9.232 -1.690 1.00 0.00 H new ATOM 0 HB2 CYS B 13 4.163 9.461 -1.577 1.00 0.00 H new ATOM 0 HB3 CYS B 13 4.941 8.153 -2.446 1.00 0.00 H new ATOM 498 N SER B 14 6.801 9.217 -4.213 1.00 0.00 N ATOM 499 CA SER B 14 6.884 9.419 -5.655 1.00 0.00 C ATOM 500 C SER B 14 7.178 8.100 -6.361 1.00 0.00 C ATOM 501 O SER B 14 7.674 7.162 -5.738 1.00 0.00 O ATOM 502 CB SER B 14 7.977 10.436 -5.987 1.00 0.00 C ATOM 503 OG SER B 14 7.575 11.753 -5.650 1.00 0.00 O ATOM 0 H SER B 14 7.185 8.328 -3.893 1.00 0.00 H new ATOM 0 HA SER B 14 5.924 9.801 -6.003 1.00 0.00 H new ATOM 0 HB2 SER B 14 8.889 10.182 -5.446 1.00 0.00 H new ATOM 0 HB3 SER B 14 8.212 10.386 -7.050 1.00 0.00 H new ATOM 0 HG SER B 14 6.674 11.732 -5.264 1.00 0.00 H new ATOM 509 N PRO B 15 6.865 8.003 -7.668 1.00 0.00 N ATOM 510 CA PRO B 15 7.117 6.786 -8.448 1.00 0.00 C ATOM 511 C PRO B 15 8.598 6.427 -8.474 1.00 0.00 C ATOM 512 O PRO B 15 9.300 6.696 -9.449 1.00 0.00 O ATOM 513 CB PRO B 15 6.623 7.144 -9.855 1.00 0.00 C ATOM 514 CG PRO B 15 5.706 8.302 -9.665 1.00 0.00 C ATOM 515 CD PRO B 15 6.241 9.059 -8.483 1.00 0.00 C ATOM 0 HA PRO B 15 6.615 5.916 -8.024 1.00 0.00 H new ATOM 0 HB2 PRO B 15 7.455 7.404 -10.510 1.00 0.00 H new ATOM 0 HB3 PRO B 15 6.105 6.303 -10.316 1.00 0.00 H new ATOM 0 HG2 PRO B 15 5.682 8.932 -10.554 1.00 0.00 H new ATOM 0 HG3 PRO B 15 4.685 7.966 -9.485 1.00 0.00 H new ATOM 0 HD2 PRO B 15 6.964 9.817 -8.783 1.00 0.00 H new ATOM 0 HD3 PRO B 15 5.448 9.572 -7.940 1.00 0.00 H new ATOM 523 N LEU B 16 9.068 5.823 -7.388 1.00 0.00 N ATOM 524 CA LEU B 16 10.465 5.436 -7.267 1.00 0.00 C ATOM 525 C LEU B 16 10.665 3.960 -7.591 1.00 0.00 C ATOM 526 O LEU B 16 9.767 3.142 -7.389 1.00 0.00 O ATOM 527 CB LEU B 16 10.955 5.726 -5.849 1.00 0.00 C ATOM 528 CG LEU B 16 12.402 5.327 -5.573 1.00 0.00 C ATOM 529 CD1 LEU B 16 13.339 6.064 -6.519 1.00 0.00 C ATOM 530 CD2 LEU B 16 12.763 5.613 -4.126 1.00 0.00 C ATOM 0 H LEU B 16 8.497 5.591 -6.576 1.00 0.00 H new ATOM 0 HA LEU B 16 11.043 6.018 -7.985 1.00 0.00 H new ATOM 0 HB2 LEU B 16 10.844 6.793 -5.653 1.00 0.00 H new ATOM 0 HB3 LEU B 16 10.309 5.204 -5.143 1.00 0.00 H new ATOM 0 HG LEU B 16 12.511 4.256 -5.745 1.00 0.00 H new ATOM 0 HD11 LEU B 16 14.368 5.771 -6.313 1.00 0.00 H new ATOM 0 HD12 LEU B 16 13.089 5.810 -7.549 1.00 0.00 H new ATOM 0 HD13 LEU B 16 13.231 7.139 -6.374 1.00 0.00 H new ATOM 0 HD21 LEU B 16 13.798 5.323 -3.945 1.00 0.00 H new ATOM 0 HD22 LEU B 16 12.644 6.678 -3.925 1.00 0.00 H new ATOM 0 HD23 LEU B 16 12.106 5.044 -3.468 1.00 0.00 H new ATOM 542 N LYS B 17 11.853 3.628 -8.093 1.00 0.00 N ATOM 543 CA LYS B 17 12.180 2.249 -8.433 1.00 0.00 C ATOM 544 C LYS B 17 12.886 1.558 -7.274 1.00 0.00 C ATOM 545 O LYS B 17 13.690 2.169 -6.569 1.00 0.00 O ATOM 546 CB LYS B 17 13.059 2.194 -9.683 1.00 0.00 C ATOM 547 CG LYS B 17 12.275 2.276 -10.983 1.00 0.00 C ATOM 548 CD LYS B 17 11.681 3.659 -11.194 1.00 0.00 C ATOM 549 CE LYS B 17 10.936 3.749 -12.517 1.00 0.00 C ATOM 550 NZ LYS B 17 10.339 5.097 -12.726 1.00 0.00 N ATOM 0 H LYS B 17 12.603 4.296 -8.272 1.00 0.00 H new ATOM 0 HA LYS B 17 11.246 1.725 -8.636 1.00 0.00 H new ATOM 0 HB2 LYS B 17 13.776 3.014 -9.649 1.00 0.00 H new ATOM 0 HB3 LYS B 17 13.633 1.268 -9.673 1.00 0.00 H new ATOM 0 HG2 LYS B 17 12.930 2.029 -11.819 1.00 0.00 H new ATOM 0 HG3 LYS B 17 11.476 1.534 -10.974 1.00 0.00 H new ATOM 0 HD2 LYS B 17 11.000 3.893 -10.375 1.00 0.00 H new ATOM 0 HD3 LYS B 17 12.475 4.405 -11.171 1.00 0.00 H new ATOM 0 HE2 LYS B 17 11.620 3.524 -13.335 1.00 0.00 H new ATOM 0 HE3 LYS B 17 10.149 2.995 -12.543 1.00 0.00 H new ATOM 0 HZ1 LYS B 17 9.840 5.118 -13.638 1.00 0.00 H new ATOM 0 HZ2 LYS B 17 9.667 5.302 -11.959 1.00 0.00 H new ATOM 0 HZ3 LYS B 17 11.092 5.814 -12.727 1.00 0.00 H new ATOM 564 N LEU B 18 12.580 0.281 -7.083 1.00 0.00 N ATOM 565 CA LEU B 18 13.174 -0.501 -6.010 1.00 0.00 C ATOM 566 C LEU B 18 13.975 -1.672 -6.571 1.00 0.00 C ATOM 567 O LEU B 18 14.241 -1.736 -7.771 1.00 0.00 O ATOM 568 CB LEU B 18 12.080 -1.018 -5.075 1.00 0.00 C ATOM 569 CG LEU B 18 11.656 -0.065 -3.966 1.00 0.00 C ATOM 570 CD1 LEU B 18 11.118 1.239 -4.540 1.00 0.00 C ATOM 571 CD2 LEU B 18 10.620 -0.722 -3.069 1.00 0.00 C ATOM 0 H LEU B 18 11.919 -0.237 -7.662 1.00 0.00 H new ATOM 0 HA LEU B 18 13.853 0.143 -5.450 1.00 0.00 H new ATOM 0 HB2 LEU B 18 11.203 -1.264 -5.673 1.00 0.00 H new ATOM 0 HB3 LEU B 18 12.425 -1.946 -4.619 1.00 0.00 H new ATOM 0 HG LEU B 18 12.536 0.170 -3.367 1.00 0.00 H new ATOM 0 HD11 LEU B 18 10.823 1.901 -3.726 1.00 0.00 H new ATOM 0 HD12 LEU B 18 11.893 1.721 -5.136 1.00 0.00 H new ATOM 0 HD13 LEU B 18 10.253 1.030 -5.169 1.00 0.00 H new ATOM 0 HD21 LEU B 18 10.328 -0.027 -2.281 1.00 0.00 H new ATOM 0 HD22 LEU B 18 9.744 -0.990 -3.660 1.00 0.00 H new ATOM 0 HD23 LEU B 18 11.044 -1.621 -2.621 1.00 0.00 H new ATOM 583 N THR B 19 14.357 -2.595 -5.693 1.00 0.00 N ATOM 584 CA THR B 19 15.126 -3.764 -6.101 1.00 0.00 C ATOM 585 C THR B 19 14.683 -5.003 -5.330 1.00 0.00 C ATOM 586 O THR B 19 14.520 -4.962 -4.111 1.00 0.00 O ATOM 587 CB THR B 19 16.635 -3.551 -5.884 1.00 0.00 C ATOM 588 OG1 THR B 19 17.064 -2.365 -6.561 1.00 0.00 O ATOM 589 CG2 THR B 19 17.432 -4.743 -6.392 1.00 0.00 C ATOM 0 H THR B 19 14.146 -2.555 -4.696 1.00 0.00 H new ATOM 0 HA THR B 19 14.940 -3.911 -7.165 1.00 0.00 H new ATOM 0 HB THR B 19 16.812 -3.446 -4.814 1.00 0.00 H new ATOM 0 HG1 THR B 19 18.025 -2.235 -6.417 1.00 0.00 H new ATOM 0 HG21 THR B 19 18.495 -4.567 -6.227 1.00 0.00 H new ATOM 0 HG22 THR B 19 17.125 -5.641 -5.856 1.00 0.00 H new ATOM 0 HG23 THR B 19 17.248 -4.876 -7.458 1.00 0.00 H new ATOM 597 N GLN B 20 14.487 -6.101 -6.051 1.00 0.00 N ATOM 598 CA GLN B 20 14.065 -7.356 -5.440 1.00 0.00 C ATOM 599 C GLN B 20 15.037 -7.774 -4.342 1.00 0.00 C ATOM 600 O GLN B 20 16.171 -8.167 -4.619 1.00 0.00 O ATOM 601 CB GLN B 20 13.975 -8.454 -6.502 1.00 0.00 C ATOM 602 CG GLN B 20 13.010 -8.130 -7.629 1.00 0.00 C ATOM 603 CD GLN B 20 13.229 -9.001 -8.851 1.00 0.00 C ATOM 604 OE1 GLN B 20 12.173 -9.209 -9.628 1.00 0.00 O flip ATOM 605 NE2 GLN B 20 14.338 -9.473 -9.101 1.00 0.00 N flip ATOM 0 H GLN B 20 14.614 -6.147 -7.062 1.00 0.00 H new ATOM 0 HA GLN B 20 13.081 -7.207 -4.995 1.00 0.00 H new ATOM 0 HB2 GLN B 20 14.967 -8.625 -6.921 1.00 0.00 H new ATOM 0 HB3 GLN B 20 13.666 -9.384 -6.026 1.00 0.00 H new ATOM 0 HG2 GLN B 20 11.987 -8.258 -7.275 1.00 0.00 H new ATOM 0 HG3 GLN B 20 13.122 -7.083 -7.909 1.00 0.00 H new ATOM 0 HE21 GLN B 20 15.123 -9.288 -8.477 1.00 0.00 H new ATOM 0 HE22 GLN B 20 14.472 -10.049 -9.932 1.00 0.00 H new ATOM 614 N GLY B 21 14.587 -7.686 -3.095 1.00 0.00 N ATOM 615 CA GLY B 21 15.434 -8.056 -1.976 1.00 0.00 C ATOM 616 C GLY B 21 15.209 -7.182 -0.759 1.00 0.00 C ATOM 617 O GLY B 21 15.323 -7.649 0.374 1.00 0.00 O ATOM 0 H GLY B 21 13.653 -7.366 -2.839 1.00 0.00 H new ATOM 0 HA2 GLY B 21 15.245 -9.096 -1.711 1.00 0.00 H new ATOM 0 HA3 GLY B 21 16.479 -7.989 -2.279 1.00 0.00 H new ATOM 621 N GLN B 22 14.886 -5.911 -0.990 1.00 0.00 N ATOM 622 CA GLN B 22 14.648 -4.978 0.101 1.00 0.00 C ATOM 623 C GLN B 22 13.199 -5.051 0.557 1.00 0.00 C ATOM 624 O GLN B 22 12.462 -5.952 0.160 1.00 0.00 O ATOM 625 CB GLN B 22 14.984 -3.551 -0.329 1.00 0.00 C ATOM 626 CG GLN B 22 14.240 -3.094 -1.573 1.00 0.00 C ATOM 627 CD GLN B 22 14.283 -1.588 -1.758 1.00 0.00 C ATOM 628 OE1 GLN B 22 14.314 -1.091 -2.882 1.00 0.00 O ATOM 629 NE2 GLN B 22 14.276 -0.855 -0.649 1.00 0.00 N ATOM 0 H GLN B 22 14.784 -5.508 -1.921 1.00 0.00 H new ATOM 0 HA GLN B 22 15.295 -5.256 0.933 1.00 0.00 H new ATOM 0 HB2 GLN B 22 14.754 -2.871 0.491 1.00 0.00 H new ATOM 0 HB3 GLN B 22 16.056 -3.479 -0.511 1.00 0.00 H new ATOM 0 HG2 GLN B 22 14.673 -3.577 -2.449 1.00 0.00 H new ATOM 0 HG3 GLN B 22 13.202 -3.419 -1.511 1.00 0.00 H new ATOM 0 HE21 GLN B 22 14.250 -1.311 0.263 1.00 0.00 H new ATOM 0 HE22 GLN B 22 14.297 0.163 -0.710 1.00 0.00 H new ATOM 638 N GLU B 23 12.799 -4.105 1.394 1.00 0.00 N ATOM 639 CA GLU B 23 11.432 -4.074 1.899 1.00 0.00 C ATOM 640 C GLU B 23 11.030 -2.673 2.343 1.00 0.00 C ATOM 641 O GLU B 23 11.790 -1.715 2.194 1.00 0.00 O ATOM 642 CB GLU B 23 11.291 -5.044 3.068 1.00 0.00 C ATOM 643 CG GLU B 23 11.893 -4.521 4.358 1.00 0.00 C ATOM 644 CD GLU B 23 11.844 -5.535 5.483 1.00 0.00 C ATOM 645 OE1 GLU B 23 10.780 -5.652 6.128 1.00 0.00 O ATOM 646 OE2 GLU B 23 12.868 -6.209 5.720 1.00 0.00 O ATOM 0 H GLU B 23 13.396 -3.353 1.737 1.00 0.00 H new ATOM 0 HA GLU B 23 10.769 -4.373 1.088 1.00 0.00 H new ATOM 0 HB2 GLU B 23 10.234 -5.257 3.229 1.00 0.00 H new ATOM 0 HB3 GLU B 23 11.771 -5.988 2.808 1.00 0.00 H new ATOM 0 HG2 GLU B 23 12.929 -4.233 4.179 1.00 0.00 H new ATOM 0 HG3 GLU B 23 11.360 -3.621 4.663 1.00 0.00 H new ATOM 653 N LEU B 24 9.823 -2.567 2.890 1.00 0.00 N ATOM 654 CA LEU B 24 9.304 -1.295 3.373 1.00 0.00 C ATOM 655 C LEU B 24 8.383 -1.510 4.571 1.00 0.00 C ATOM 656 O LEU B 24 7.728 -2.545 4.685 1.00 0.00 O ATOM 657 CB LEU B 24 8.546 -0.561 2.267 1.00 0.00 C ATOM 658 CG LEU B 24 7.804 0.695 2.728 1.00 0.00 C ATOM 659 CD1 LEU B 24 8.785 1.801 3.084 1.00 0.00 C ATOM 660 CD2 LEU B 24 6.828 1.163 1.661 1.00 0.00 C ATOM 0 H LEU B 24 9.184 -3.353 3.010 1.00 0.00 H new ATOM 0 HA LEU B 24 10.153 -0.685 3.682 1.00 0.00 H new ATOM 0 HB2 LEU B 24 9.252 -0.283 1.484 1.00 0.00 H new ATOM 0 HB3 LEU B 24 7.827 -1.248 1.820 1.00 0.00 H new ATOM 0 HG LEU B 24 7.236 0.445 3.624 1.00 0.00 H new ATOM 0 HD11 LEU B 24 8.235 2.684 3.409 1.00 0.00 H new ATOM 0 HD12 LEU B 24 9.438 1.463 3.889 1.00 0.00 H new ATOM 0 HD13 LEU B 24 9.386 2.049 2.209 1.00 0.00 H new ATOM 0 HD21 LEU B 24 6.310 2.057 2.008 1.00 0.00 H new ATOM 0 HD22 LEU B 24 7.373 1.392 0.745 1.00 0.00 H new ATOM 0 HD23 LEU B 24 6.100 0.376 1.464 1.00 0.00 H new ATOM 672 N VAL B 25 8.339 -0.524 5.462 1.00 0.00 N ATOM 673 CA VAL B 25 7.495 -0.598 6.648 1.00 0.00 C ATOM 674 C VAL B 25 6.747 0.714 6.861 1.00 0.00 C ATOM 675 O VAL B 25 7.247 1.786 6.519 1.00 0.00 O ATOM 676 CB VAL B 25 8.324 -0.930 7.907 1.00 0.00 C ATOM 677 CG1 VAL B 25 7.468 -0.838 9.163 1.00 0.00 C ATOM 678 CG2 VAL B 25 8.948 -2.312 7.785 1.00 0.00 C ATOM 0 H VAL B 25 8.880 0.337 5.384 1.00 0.00 H new ATOM 0 HA VAL B 25 6.774 -1.399 6.485 1.00 0.00 H new ATOM 0 HB VAL B 25 9.124 -0.195 7.990 1.00 0.00 H new ATOM 0 HG11 VAL B 25 8.076 -1.077 10.036 1.00 0.00 H new ATOM 0 HG12 VAL B 25 7.073 0.173 9.261 1.00 0.00 H new ATOM 0 HG13 VAL B 25 6.641 -1.545 9.092 1.00 0.00 H new ATOM 0 HG21 VAL B 25 9.529 -2.529 8.681 1.00 0.00 H new ATOM 0 HG22 VAL B 25 8.161 -3.058 7.673 1.00 0.00 H new ATOM 0 HG23 VAL B 25 9.602 -2.340 6.913 1.00 0.00 H new ATOM 688 N LEU B 26 5.544 0.624 7.417 1.00 0.00 N ATOM 689 CA LEU B 26 4.730 1.806 7.675 1.00 0.00 C ATOM 690 C LEU B 26 4.252 1.837 9.122 1.00 0.00 C ATOM 691 O LEU B 26 3.846 0.814 9.675 1.00 0.00 O ATOM 692 CB LEU B 26 3.529 1.842 6.727 1.00 0.00 C ATOM 693 CG LEU B 26 3.870 2.106 5.260 1.00 0.00 C ATOM 694 CD1 LEU B 26 2.639 1.914 4.385 1.00 0.00 C ATOM 695 CD2 LEU B 26 4.438 3.507 5.087 1.00 0.00 C ATOM 0 H LEU B 26 5.111 -0.256 7.698 1.00 0.00 H new ATOM 0 HA LEU B 26 5.350 2.685 7.500 1.00 0.00 H new ATOM 0 HB2 LEU B 26 3.002 0.890 6.796 1.00 0.00 H new ATOM 0 HB3 LEU B 26 2.839 2.614 7.068 1.00 0.00 H new ATOM 0 HG LEU B 26 4.629 1.389 4.948 1.00 0.00 H new ATOM 0 HD11 LEU B 26 2.899 2.106 3.344 1.00 0.00 H new ATOM 0 HD12 LEU B 26 2.277 0.891 4.486 1.00 0.00 H new ATOM 0 HD13 LEU B 26 1.859 2.608 4.698 1.00 0.00 H new ATOM 0 HD21 LEU B 26 4.675 3.677 4.037 1.00 0.00 H new ATOM 0 HD22 LEU B 26 3.703 4.241 5.416 1.00 0.00 H new ATOM 0 HD23 LEU B 26 5.344 3.608 5.684 1.00 0.00 H new ATOM 707 N THR B 27 4.306 3.017 9.730 1.00 0.00 N ATOM 708 CA THR B 27 3.880 3.186 11.115 1.00 0.00 C ATOM 709 C THR B 27 3.113 4.492 11.294 1.00 0.00 C ATOM 710 O THR B 27 3.629 5.570 11.003 1.00 0.00 O ATOM 711 CB THR B 27 5.083 3.171 12.077 1.00 0.00 C ATOM 712 OG1 THR B 27 5.823 1.955 11.917 1.00 0.00 O ATOM 713 CG2 THR B 27 4.623 3.301 13.522 1.00 0.00 C ATOM 0 H THR B 27 4.641 3.872 9.285 1.00 0.00 H new ATOM 0 HA THR B 27 3.226 2.347 11.353 1.00 0.00 H new ATOM 0 HB THR B 27 5.722 4.021 11.837 1.00 0.00 H new ATOM 0 HG1 THR B 27 6.587 1.954 12.531 1.00 0.00 H new ATOM 0 HG21 THR B 27 5.490 3.288 14.182 1.00 0.00 H new ATOM 0 HG22 THR B 27 4.084 4.240 13.649 1.00 0.00 H new ATOM 0 HG23 THR B 27 3.965 2.468 13.771 1.00 0.00 H new ATOM 721 N LEU B 28 1.877 4.387 11.775 1.00 0.00 N ATOM 722 CA LEU B 28 1.040 5.562 11.990 1.00 0.00 C ATOM 723 C LEU B 28 0.290 5.460 13.319 1.00 0.00 C ATOM 724 O LEU B 28 -0.052 4.365 13.762 1.00 0.00 O ATOM 725 CB LEU B 28 0.042 5.717 10.839 1.00 0.00 C ATOM 726 CG LEU B 28 0.673 5.894 9.456 1.00 0.00 C ATOM 727 CD1 LEU B 28 -0.395 5.859 8.375 1.00 0.00 C ATOM 728 CD2 LEU B 28 1.455 7.197 9.389 1.00 0.00 C ATOM 0 H LEU B 28 1.434 3.502 12.023 1.00 0.00 H new ATOM 0 HA LEU B 28 1.686 6.439 12.024 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -0.604 4.839 10.817 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -0.595 6.577 11.044 1.00 0.00 H new ATOM 0 HG LEU B 28 1.364 5.068 9.285 1.00 0.00 H new ATOM 0 HD11 LEU B 28 0.072 5.986 7.398 1.00 0.00 H new ATOM 0 HD12 LEU B 28 -0.914 4.901 8.407 1.00 0.00 H new ATOM 0 HD13 LEU B 28 -1.110 6.665 8.543 1.00 0.00 H new ATOM 0 HD21 LEU B 28 1.897 7.306 8.398 1.00 0.00 H new ATOM 0 HD22 LEU B 28 0.784 8.034 9.581 1.00 0.00 H new ATOM 0 HD23 LEU B 28 2.246 7.186 10.139 1.00 0.00 H new ATOM 740 N PRO B 29 0.031 6.608 13.975 1.00 0.00 N ATOM 741 CA PRO B 29 -0.680 6.641 15.259 1.00 0.00 C ATOM 742 C PRO B 29 -2.075 6.029 15.168 1.00 0.00 C ATOM 743 O PRO B 29 -2.844 6.351 14.263 1.00 0.00 O ATOM 744 CB PRO B 29 -0.776 8.135 15.586 1.00 0.00 C ATOM 745 CG PRO B 29 0.296 8.778 14.774 1.00 0.00 C ATOM 746 CD PRO B 29 0.408 7.958 13.522 1.00 0.00 C ATOM 0 HA PRO B 29 -0.160 6.059 16.020 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -1.758 8.533 15.329 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -0.627 8.316 16.650 1.00 0.00 H new ATOM 0 HG2 PRO B 29 0.044 9.813 14.542 1.00 0.00 H new ATOM 0 HG3 PRO B 29 1.241 8.794 15.317 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -0.259 8.322 12.740 1.00 0.00 H new ATOM 0 HD3 PRO B 29 1.419 7.979 13.115 1.00 0.00 H new ATOM 754 N SER B 30 -2.390 5.148 16.112 1.00 0.00 N ATOM 755 CA SER B 30 -3.693 4.490 16.141 1.00 0.00 C ATOM 756 C SER B 30 -3.899 3.755 17.461 1.00 0.00 C ATOM 757 O SER B 30 -3.197 2.789 17.762 1.00 0.00 O ATOM 758 CB SER B 30 -3.820 3.510 14.973 1.00 0.00 C ATOM 759 OG SER B 30 -2.827 2.503 15.041 1.00 0.00 O ATOM 0 H SER B 30 -1.762 4.873 16.867 1.00 0.00 H new ATOM 0 HA SER B 30 -4.462 5.256 16.047 1.00 0.00 H new ATOM 0 HB2 SER B 30 -4.809 3.051 14.985 1.00 0.00 H new ATOM 0 HB3 SER B 30 -3.731 4.050 14.030 1.00 0.00 H new ATOM 0 HG SER B 30 -2.597 2.334 15.978 1.00 0.00 H new ATOM 765 N ASN B 31 -4.868 4.219 18.247 1.00 0.00 N ATOM 766 CA ASN B 31 -5.167 3.604 19.535 1.00 0.00 C ATOM 767 C ASN B 31 -6.362 2.659 19.423 1.00 0.00 C ATOM 768 O ASN B 31 -7.311 2.935 18.691 1.00 0.00 O ATOM 769 CB ASN B 31 -5.453 4.682 20.584 1.00 0.00 C ATOM 770 CG ASN B 31 -4.279 5.620 20.790 1.00 0.00 C ATOM 771 OD1 ASN B 31 -3.067 5.097 20.633 1.00 0.00 O flip ATOM 772 ND2 ASN B 31 -4.457 6.799 21.090 1.00 0.00 N flip ATOM 0 H ASN B 31 -5.458 5.018 18.014 1.00 0.00 H new ATOM 0 HA ASN B 31 -4.296 3.026 19.844 1.00 0.00 H new ATOM 0 HB2 ASN B 31 -6.325 5.259 20.278 1.00 0.00 H new ATOM 0 HB3 ASN B 31 -5.703 4.205 21.532 1.00 0.00 H new ATOM 0 HD21 ASN B 31 -5.405 7.160 21.201 1.00 0.00 H new ATOM 0 HD22 ASN B 31 -3.657 7.416 21.228 1.00 0.00 H new ATOM 779 N PRO B 32 -6.329 1.525 20.148 1.00 0.00 N ATOM 780 CA PRO B 32 -7.413 0.539 20.123 1.00 0.00 C ATOM 781 C PRO B 32 -8.609 0.965 20.970 1.00 0.00 C ATOM 782 O PRO B 32 -9.595 0.236 21.079 1.00 0.00 O ATOM 783 CB PRO B 32 -6.756 -0.702 20.715 1.00 0.00 C ATOM 784 CG PRO B 32 -5.765 -0.154 21.677 1.00 0.00 C ATOM 785 CD PRO B 32 -5.234 1.105 21.047 1.00 0.00 C ATOM 0 HA PRO B 32 -7.817 0.396 19.121 1.00 0.00 H new ATOM 0 HB2 PRO B 32 -7.485 -1.342 21.213 1.00 0.00 H new ATOM 0 HB3 PRO B 32 -6.275 -1.306 19.945 1.00 0.00 H new ATOM 0 HG2 PRO B 32 -6.230 0.057 22.640 1.00 0.00 H new ATOM 0 HG3 PRO B 32 -4.962 -0.868 21.860 1.00 0.00 H new ATOM 0 HD2 PRO B 32 -5.013 1.867 21.795 1.00 0.00 H new ATOM 0 HD3 PRO B 32 -4.311 0.921 20.497 1.00 0.00 H new ATOM 793 N THR B 33 -8.515 2.150 21.565 1.00 0.00 N ATOM 794 CA THR B 33 -9.587 2.671 22.404 1.00 0.00 C ATOM 795 C THR B 33 -10.437 3.689 21.648 1.00 0.00 C ATOM 796 O THR B 33 -11.347 4.292 22.215 1.00 0.00 O ATOM 797 CB THR B 33 -9.033 3.332 23.680 1.00 0.00 C ATOM 798 OG1 THR B 33 -8.173 4.423 23.332 1.00 0.00 O ATOM 799 CG2 THR B 33 -8.264 2.322 24.521 1.00 0.00 C ATOM 0 H THR B 33 -7.707 2.767 21.481 1.00 0.00 H new ATOM 0 HA THR B 33 -10.208 1.820 22.683 1.00 0.00 H new ATOM 0 HB THR B 33 -9.874 3.705 24.265 1.00 0.00 H new ATOM 0 HG1 THR B 33 -7.826 4.839 24.148 1.00 0.00 H new ATOM 0 HG21 THR B 33 -7.882 2.811 25.417 1.00 0.00 H new ATOM 0 HG22 THR B 33 -8.928 1.507 24.808 1.00 0.00 H new ATOM 0 HG23 THR B 33 -7.431 1.925 23.941 1.00 0.00 H new ATOM 807 N THR B 34 -10.134 3.872 20.367 1.00 0.00 N ATOM 808 CA THR B 34 -10.870 4.817 19.537 1.00 0.00 C ATOM 809 C THR B 34 -11.869 4.098 18.635 1.00 0.00 C ATOM 810 O THR B 34 -13.079 4.275 18.769 1.00 0.00 O ATOM 811 CB THR B 34 -9.922 5.662 18.665 1.00 0.00 C ATOM 812 OG1 THR B 34 -9.126 4.807 17.836 1.00 0.00 O ATOM 813 CG2 THR B 34 -9.015 6.523 19.531 1.00 0.00 C ATOM 0 H THR B 34 -9.384 3.379 19.882 1.00 0.00 H new ATOM 0 HA THR B 34 -11.409 5.477 20.217 1.00 0.00 H new ATOM 0 HB THR B 34 -10.527 6.316 18.037 1.00 0.00 H new ATOM 0 HG1 THR B 34 -8.495 4.306 18.394 1.00 0.00 H new ATOM 0 HG21 THR B 34 -8.354 7.111 18.894 1.00 0.00 H new ATOM 0 HG22 THR B 34 -9.622 7.193 20.140 1.00 0.00 H new ATOM 0 HG23 THR B 34 -8.418 5.883 20.181 1.00 0.00 H new ATOM 821 N GLY B 35 -11.353 3.287 17.718 1.00 0.00 N ATOM 822 CA GLY B 35 -12.211 2.556 16.808 1.00 0.00 C ATOM 823 C GLY B 35 -11.774 2.710 15.367 1.00 0.00 C ATOM 824 O GLY B 35 -11.879 1.773 14.573 1.00 0.00 O ATOM 0 H GLY B 35 -10.354 3.124 17.590 1.00 0.00 H new ATOM 0 HA2 GLY B 35 -12.207 1.500 17.077 1.00 0.00 H new ATOM 0 HA3 GLY B 35 -13.237 2.909 16.915 1.00 0.00 H new ATOM 828 N PHE B 36 -11.283 3.897 15.027 1.00 0.00 N ATOM 829 CA PHE B 36 -10.822 4.179 13.679 1.00 0.00 C ATOM 830 C PHE B 36 -9.464 3.541 13.420 1.00 0.00 C ATOM 831 O PHE B 36 -8.426 4.086 13.798 1.00 0.00 O ATOM 832 CB PHE B 36 -10.732 5.685 13.460 1.00 0.00 C ATOM 833 CG PHE B 36 -12.064 6.379 13.471 1.00 0.00 C ATOM 834 CD1 PHE B 36 -12.549 6.961 14.630 1.00 0.00 C ATOM 835 CD2 PHE B 36 -12.829 6.450 12.318 1.00 0.00 C ATOM 836 CE1 PHE B 36 -13.773 7.602 14.641 1.00 0.00 C ATOM 837 CE2 PHE B 36 -14.053 7.089 12.322 1.00 0.00 C ATOM 838 CZ PHE B 36 -14.526 7.666 13.485 1.00 0.00 C ATOM 0 H PHE B 36 -11.195 4.681 15.673 1.00 0.00 H new ATOM 0 HA PHE B 36 -11.542 3.753 12.980 1.00 0.00 H new ATOM 0 HB2 PHE B 36 -10.100 6.119 14.235 1.00 0.00 H new ATOM 0 HB3 PHE B 36 -10.241 5.875 12.506 1.00 0.00 H new ATOM 0 HD1 PHE B 36 -11.964 6.913 15.536 1.00 0.00 H new ATOM 0 HD2 PHE B 36 -12.464 6.001 11.406 1.00 0.00 H new ATOM 0 HE1 PHE B 36 -14.140 8.052 15.552 1.00 0.00 H new ATOM 0 HE2 PHE B 36 -14.640 7.138 11.417 1.00 0.00 H new ATOM 0 HZ PHE B 36 -15.483 8.166 13.490 1.00 0.00 H new ATOM 848 N ARG B 37 -9.483 2.383 12.782 1.00 0.00 N ATOM 849 CA ARG B 37 -8.257 1.662 12.459 1.00 0.00 C ATOM 850 C ARG B 37 -7.767 2.054 11.070 1.00 0.00 C ATOM 851 O ARG B 37 -8.054 3.149 10.590 1.00 0.00 O ATOM 852 CB ARG B 37 -8.497 0.153 12.513 1.00 0.00 C ATOM 853 CG ARG B 37 -7.357 -0.627 13.149 1.00 0.00 C ATOM 854 CD ARG B 37 -7.259 -0.359 14.641 1.00 0.00 C ATOM 855 NE ARG B 37 -6.175 -1.117 15.262 1.00 0.00 N ATOM 856 CZ ARG B 37 -6.151 -1.454 16.546 1.00 0.00 C ATOM 857 NH1 ARG B 37 -7.150 -1.105 17.346 1.00 0.00 N ATOM 858 NH2 ARG B 37 -5.129 -2.143 17.035 1.00 0.00 N ATOM 0 H ARG B 37 -10.337 1.918 12.475 1.00 0.00 H new ATOM 0 HA ARG B 37 -7.497 1.927 13.195 1.00 0.00 H new ATOM 0 HB2 ARG B 37 -9.413 -0.040 13.071 1.00 0.00 H new ATOM 0 HB3 ARG B 37 -8.657 -0.217 11.500 1.00 0.00 H new ATOM 0 HG2 ARG B 37 -7.506 -1.693 12.979 1.00 0.00 H new ATOM 0 HG3 ARG B 37 -6.417 -0.356 12.668 1.00 0.00 H new ATOM 0 HD2 ARG B 37 -7.099 0.706 14.809 1.00 0.00 H new ATOM 0 HD3 ARG B 37 -8.204 -0.619 15.119 1.00 0.00 H new ATOM 0 HE ARG B 37 -5.392 -1.404 14.675 1.00 0.00 H new ATOM 0 HH11 ARG B 37 -7.940 -0.576 16.975 1.00 0.00 H new ATOM 0 HH12 ARG B 37 -7.129 -1.365 18.332 1.00 0.00 H new ATOM 0 HH21 ARG B 37 -4.359 -2.415 16.424 1.00 0.00 H new ATOM 0 HH22 ARG B 37 -5.113 -2.401 18.022 1.00 0.00 H new ATOM 872 N TRP B 38 -7.032 1.155 10.425 1.00 0.00 N ATOM 873 CA TRP B 38 -6.512 1.417 9.089 1.00 0.00 C ATOM 874 C TRP B 38 -6.909 0.310 8.120 1.00 0.00 C ATOM 875 O TRP B 38 -6.379 -0.799 8.179 1.00 0.00 O ATOM 876 CB TRP B 38 -4.989 1.563 9.123 1.00 0.00 C ATOM 877 CG TRP B 38 -4.522 2.777 9.865 1.00 0.00 C ATOM 878 CD1 TRP B 38 -4.014 2.821 11.131 1.00 0.00 C ATOM 879 CD2 TRP B 38 -4.521 4.128 9.386 1.00 0.00 C ATOM 880 NE1 TRP B 38 -3.696 4.113 11.469 1.00 0.00 N ATOM 881 CE2 TRP B 38 -3.997 4.935 10.415 1.00 0.00 C ATOM 882 CE3 TRP B 38 -4.907 4.733 8.187 1.00 0.00 C ATOM 883 CZ2 TRP B 38 -3.856 6.314 10.280 1.00 0.00 C ATOM 884 CZ3 TRP B 38 -4.767 6.102 8.055 1.00 0.00 C ATOM 885 CH2 TRP B 38 -4.243 6.880 9.096 1.00 0.00 C ATOM 0 H TRP B 38 -6.784 0.241 10.804 1.00 0.00 H new ATOM 0 HA TRP B 38 -6.948 2.353 8.739 1.00 0.00 H new ATOM 0 HB2 TRP B 38 -4.557 0.676 9.586 1.00 0.00 H new ATOM 0 HB3 TRP B 38 -4.613 1.605 8.101 1.00 0.00 H new ATOM 0 HD1 TRP B 38 -3.881 1.963 11.774 1.00 0.00 H new ATOM 0 HE1 TRP B 38 -3.300 4.412 12.360 1.00 0.00 H new ATOM 0 HE3 TRP B 38 -5.308 4.141 7.377 1.00 0.00 H new ATOM 0 HZ2 TRP B 38 -3.455 6.916 11.082 1.00 0.00 H new ATOM 0 HZ3 TRP B 38 -5.067 6.580 7.134 1.00 0.00 H new ATOM 0 HH2 TRP B 38 -4.143 7.947 8.961 1.00 0.00 H new ATOM 896 N GLU B 39 -7.846 0.621 7.229 1.00 0.00 N ATOM 897 CA GLU B 39 -8.313 -0.344 6.242 1.00 0.00 C ATOM 898 C GLU B 39 -7.382 -0.373 5.034 1.00 0.00 C ATOM 899 O GLU B 39 -7.126 0.657 4.411 1.00 0.00 O ATOM 900 CB GLU B 39 -9.738 -0.003 5.800 1.00 0.00 C ATOM 901 CG GLU B 39 -10.315 -0.988 4.794 1.00 0.00 C ATOM 902 CD GLU B 39 -11.726 -0.628 4.369 1.00 0.00 C ATOM 903 OE1 GLU B 39 -11.874 0.116 3.378 1.00 0.00 O ATOM 904 OE2 GLU B 39 -12.680 -1.091 5.028 1.00 0.00 O ATOM 0 H GLU B 39 -8.296 1.534 7.171 1.00 0.00 H new ATOM 0 HA GLU B 39 -8.313 -1.332 6.702 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -10.384 0.028 6.677 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -9.745 0.996 5.363 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -9.672 -1.022 3.914 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -10.314 -1.988 5.228 1.00 0.00 H new ATOM 911 N LEU B 40 -6.878 -1.558 4.710 1.00 0.00 N ATOM 912 CA LEU B 40 -5.971 -1.721 3.581 1.00 0.00 C ATOM 913 C LEU B 40 -6.705 -1.556 2.255 1.00 0.00 C ATOM 914 O LEU B 40 -7.677 -2.259 1.980 1.00 0.00 O ATOM 915 CB LEU B 40 -5.298 -3.094 3.635 1.00 0.00 C ATOM 916 CG LEU B 40 -3.769 -3.065 3.722 1.00 0.00 C ATOM 917 CD1 LEU B 40 -3.217 -4.477 3.839 1.00 0.00 C ATOM 918 CD2 LEU B 40 -3.177 -2.356 2.512 1.00 0.00 C ATOM 0 H LEU B 40 -7.083 -2.421 5.214 1.00 0.00 H new ATOM 0 HA LEU B 40 -5.209 -0.944 3.650 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -5.685 -3.638 4.497 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -5.585 -3.657 2.747 1.00 0.00 H new ATOM 0 HG LEU B 40 -3.485 -2.509 4.616 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -2.129 -4.439 3.900 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -3.614 -4.950 4.737 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -3.511 -5.056 2.964 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -2.090 -2.346 2.592 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -3.469 -2.882 1.603 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -3.548 -1.332 2.473 1.00 0.00 H new ATOM 930 N ARG B 41 -6.233 -0.620 1.440 1.00 0.00 N ATOM 931 CA ARG B 41 -6.837 -0.358 0.137 1.00 0.00 C ATOM 932 C ARG B 41 -6.002 -0.979 -0.978 1.00 0.00 C ATOM 933 O ARG B 41 -6.540 -1.539 -1.933 1.00 0.00 O ATOM 934 CB ARG B 41 -6.974 1.149 -0.092 1.00 0.00 C ATOM 935 CG ARG B 41 -7.804 1.860 0.965 1.00 0.00 C ATOM 936 CD ARG B 41 -9.264 1.446 0.908 1.00 0.00 C ATOM 937 NE ARG B 41 -9.854 1.695 -0.403 1.00 0.00 N ATOM 938 CZ ARG B 41 -11.131 1.467 -0.695 1.00 0.00 C ATOM 939 NH1 ARG B 41 -11.950 0.983 0.231 1.00 0.00 N ATOM 940 NH2 ARG B 41 -11.590 1.720 -1.913 1.00 0.00 N ATOM 0 H ARG B 41 -5.432 -0.028 1.658 1.00 0.00 H new ATOM 0 HA ARG B 41 -7.828 -0.811 0.124 1.00 0.00 H new ATOM 0 HB2 ARG B 41 -5.979 1.594 -0.119 1.00 0.00 H new ATOM 0 HB3 ARG B 41 -7.426 1.318 -1.069 1.00 0.00 H new ATOM 0 HG2 ARG B 41 -7.402 1.638 1.953 1.00 0.00 H new ATOM 0 HG3 ARG B 41 -7.726 2.938 0.824 1.00 0.00 H new ATOM 0 HD2 ARG B 41 -9.350 0.386 1.148 1.00 0.00 H new ATOM 0 HD3 ARG B 41 -9.825 1.991 1.667 1.00 0.00 H new ATOM 0 HE ARG B 41 -9.252 2.066 -1.138 1.00 0.00 H new ATOM 0 HH11 ARG B 41 -11.600 0.785 1.168 1.00 0.00 H new ATOM 0 HH12 ARG B 41 -12.929 0.809 0.005 1.00 0.00 H new ATOM 0 HH21 ARG B 41 -10.963 2.090 -2.628 1.00 0.00 H new ATOM 0 HH22 ARG B 41 -12.570 1.545 -2.135 1.00 0.00 H new ATOM 954 N ASN B 42 -4.682 -0.874 -0.850 1.00 0.00 N ATOM 955 CA ASN B 42 -3.766 -1.423 -1.842 1.00 0.00 C ATOM 956 C ASN B 42 -2.410 -1.738 -1.212 1.00 0.00 C ATOM 957 O ASN B 42 -1.537 -0.873 -1.145 1.00 0.00 O ATOM 958 CB ASN B 42 -3.589 -0.440 -3.003 1.00 0.00 C ATOM 959 CG ASN B 42 -2.854 -1.059 -4.178 1.00 0.00 C ATOM 960 OD1 ASN B 42 -3.465 -1.691 -5.041 1.00 0.00 O ATOM 961 ND2 ASN B 42 -1.541 -0.875 -4.222 1.00 0.00 N ATOM 0 H ASN B 42 -4.223 -0.412 -0.065 1.00 0.00 H new ATOM 0 HA ASN B 42 -4.193 -2.350 -2.224 1.00 0.00 H new ATOM 0 HB2 ASN B 42 -4.568 -0.091 -3.333 1.00 0.00 H new ATOM 0 HB3 ASN B 42 -3.040 0.435 -2.654 1.00 0.00 H new ATOM 0 HD21 ASN B 42 -0.997 -1.264 -4.992 1.00 0.00 H new ATOM 0 HD22 ASN B 42 -1.075 -0.345 -3.486 1.00 0.00 H new ATOM 968 N PRO B 43 -2.215 -2.983 -0.736 1.00 0.00 N ATOM 969 CA PRO B 43 -0.957 -3.399 -0.105 1.00 0.00 C ATOM 970 C PRO B 43 0.150 -3.663 -1.120 1.00 0.00 C ATOM 971 O PRO B 43 1.213 -4.177 -0.769 1.00 0.00 O ATOM 972 CB PRO B 43 -1.343 -4.692 0.608 1.00 0.00 C ATOM 973 CG PRO B 43 -2.445 -5.258 -0.218 1.00 0.00 C ATOM 974 CD PRO B 43 -3.204 -4.079 -0.769 1.00 0.00 C ATOM 0 HA PRO B 43 -0.555 -2.628 0.552 1.00 0.00 H new ATOM 0 HB2 PRO B 43 -0.499 -5.379 0.669 1.00 0.00 H new ATOM 0 HB3 PRO B 43 -1.671 -4.499 1.629 1.00 0.00 H new ATOM 0 HG2 PRO B 43 -2.050 -5.877 -1.023 1.00 0.00 H new ATOM 0 HG3 PRO B 43 -3.095 -5.893 0.383 1.00 0.00 H new ATOM 0 HD2 PRO B 43 -3.559 -4.269 -1.782 1.00 0.00 H new ATOM 0 HD3 PRO B 43 -4.080 -3.847 -0.163 1.00 0.00 H new ATOM 982 N ALA B 44 -0.102 -3.308 -2.376 1.00 0.00 N ATOM 983 CA ALA B 44 0.876 -3.506 -3.439 1.00 0.00 C ATOM 984 C ALA B 44 1.318 -4.963 -3.515 1.00 0.00 C ATOM 985 O ALA B 44 2.414 -5.267 -3.990 1.00 0.00 O ATOM 986 CB ALA B 44 2.081 -2.601 -3.222 1.00 0.00 C ATOM 0 H ALA B 44 -0.976 -2.881 -2.682 1.00 0.00 H new ATOM 0 HA ALA B 44 0.403 -3.246 -4.386 1.00 0.00 H new ATOM 0 HB1 ALA B 44 2.804 -2.759 -4.023 1.00 0.00 H new ATOM 0 HB2 ALA B 44 1.759 -1.560 -3.224 1.00 0.00 H new ATOM 0 HB3 ALA B 44 2.544 -2.836 -2.264 1.00 0.00 H new ATOM 992 N ALA B 45 0.456 -5.863 -3.049 1.00 0.00 N ATOM 993 CA ALA B 45 0.757 -7.290 -3.061 1.00 0.00 C ATOM 994 C ALA B 45 0.999 -7.791 -4.481 1.00 0.00 C ATOM 995 O ALA B 45 1.465 -8.913 -4.683 1.00 0.00 O ATOM 996 CB ALA B 45 -0.375 -8.072 -2.410 1.00 0.00 C ATOM 0 H ALA B 45 -0.457 -5.628 -2.658 1.00 0.00 H new ATOM 0 HA ALA B 45 1.671 -7.447 -2.489 1.00 0.00 H new ATOM 0 HB1 ALA B 45 -0.138 -9.136 -2.425 1.00 0.00 H new ATOM 0 HB2 ALA B 45 -0.499 -7.743 -1.378 1.00 0.00 H new ATOM 0 HB3 ALA B 45 -1.300 -7.898 -2.960 1.00 0.00 H new ATOM 1002 N SER B 46 0.680 -6.952 -5.461 1.00 0.00 N ATOM 1003 CA SER B 46 0.863 -7.309 -6.863 1.00 0.00 C ATOM 1004 C SER B 46 2.341 -7.500 -7.191 1.00 0.00 C ATOM 1005 O SER B 46 2.694 -8.317 -8.041 1.00 0.00 O ATOM 1006 CB SER B 46 0.264 -6.229 -7.766 1.00 0.00 C ATOM 1007 OG SER B 46 -1.122 -6.074 -7.528 1.00 0.00 O ATOM 0 H SER B 46 0.294 -6.020 -5.310 1.00 0.00 H new ATOM 0 HA SER B 46 0.347 -8.252 -7.042 1.00 0.00 H new ATOM 0 HB2 SER B 46 0.774 -5.282 -7.592 1.00 0.00 H new ATOM 0 HB3 SER B 46 0.429 -6.492 -8.811 1.00 0.00 H new ATOM 0 HG SER B 46 -1.479 -5.377 -8.117 1.00 0.00 H new ATOM 1013 N VAL B 47 3.201 -6.744 -6.515 1.00 0.00 N ATOM 1014 CA VAL B 47 4.639 -6.837 -6.744 1.00 0.00 C ATOM 1015 C VAL B 47 5.390 -7.161 -5.457 1.00 0.00 C ATOM 1016 O VAL B 47 6.268 -8.026 -5.444 1.00 0.00 O ATOM 1017 CB VAL B 47 5.199 -5.537 -7.353 1.00 0.00 C ATOM 1018 CG1 VAL B 47 4.588 -5.291 -8.724 1.00 0.00 C ATOM 1019 CG2 VAL B 47 4.948 -4.354 -6.434 1.00 0.00 C ATOM 0 H VAL B 47 2.928 -6.063 -5.807 1.00 0.00 H new ATOM 0 HA VAL B 47 4.791 -7.651 -7.453 1.00 0.00 H new ATOM 0 HB VAL B 47 6.277 -5.649 -7.468 1.00 0.00 H new ATOM 0 HG11 VAL B 47 4.992 -4.369 -9.143 1.00 0.00 H new ATOM 0 HG12 VAL B 47 4.827 -6.125 -9.384 1.00 0.00 H new ATOM 0 HG13 VAL B 47 3.506 -5.202 -8.629 1.00 0.00 H new ATOM 0 HG21 VAL B 47 5.353 -3.449 -6.887 1.00 0.00 H new ATOM 0 HG22 VAL B 47 3.876 -4.234 -6.280 1.00 0.00 H new ATOM 0 HG23 VAL B 47 5.435 -4.529 -5.475 1.00 0.00 H new ATOM 1029 N LEU B 48 5.048 -6.468 -4.375 1.00 0.00 N ATOM 1030 CA LEU B 48 5.698 -6.697 -3.089 1.00 0.00 C ATOM 1031 C LEU B 48 5.075 -7.900 -2.392 1.00 0.00 C ATOM 1032 O LEU B 48 3.871 -8.137 -2.497 1.00 0.00 O ATOM 1033 CB LEU B 48 5.589 -5.459 -2.194 1.00 0.00 C ATOM 1034 CG LEU B 48 5.830 -4.120 -2.896 1.00 0.00 C ATOM 1035 CD1 LEU B 48 5.567 -2.966 -1.940 1.00 0.00 C ATOM 1036 CD2 LEU B 48 7.247 -4.048 -3.444 1.00 0.00 C ATOM 0 H LEU B 48 4.327 -5.746 -4.363 1.00 0.00 H new ATOM 0 HA LEU B 48 6.754 -6.897 -3.272 1.00 0.00 H new ATOM 0 HB2 LEU B 48 4.596 -5.442 -1.746 1.00 0.00 H new ATOM 0 HB3 LEU B 48 6.305 -5.557 -1.378 1.00 0.00 H new ATOM 0 HG LEU B 48 5.137 -4.041 -3.733 1.00 0.00 H new ATOM 0 HD11 LEU B 48 5.743 -2.021 -2.454 1.00 0.00 H new ATOM 0 HD12 LEU B 48 4.533 -3.006 -1.597 1.00 0.00 H new ATOM 0 HD13 LEU B 48 6.237 -3.043 -1.083 1.00 0.00 H new ATOM 0 HD21 LEU B 48 7.397 -3.089 -3.939 1.00 0.00 H new ATOM 0 HD22 LEU B 48 7.959 -4.150 -2.625 1.00 0.00 H new ATOM 0 HD23 LEU B 48 7.401 -4.854 -4.161 1.00 0.00 H new ATOM 1048 N LYS B 49 5.898 -8.659 -1.678 1.00 0.00 N ATOM 1049 CA LYS B 49 5.425 -9.842 -0.969 1.00 0.00 C ATOM 1050 C LYS B 49 4.907 -9.473 0.417 1.00 0.00 C ATOM 1051 O LYS B 49 5.598 -8.815 1.194 1.00 0.00 O ATOM 1052 CB LYS B 49 6.546 -10.875 -0.862 1.00 0.00 C ATOM 1053 CG LYS B 49 6.138 -12.153 -0.149 1.00 0.00 C ATOM 1054 CD LYS B 49 7.232 -13.204 -0.227 1.00 0.00 C ATOM 1055 CE LYS B 49 8.325 -12.966 0.805 1.00 0.00 C ATOM 1056 NZ LYS B 49 9.047 -11.683 0.576 1.00 0.00 N ATOM 0 H LYS B 49 6.896 -8.476 -1.575 1.00 0.00 H new ATOM 0 HA LYS B 49 4.600 -10.275 -1.535 1.00 0.00 H new ATOM 0 HB2 LYS B 49 6.894 -11.125 -1.864 1.00 0.00 H new ATOM 0 HB3 LYS B 49 7.389 -10.429 -0.334 1.00 0.00 H new ATOM 0 HG2 LYS B 49 5.916 -11.934 0.895 1.00 0.00 H new ATOM 0 HG3 LYS B 49 5.223 -12.544 -0.594 1.00 0.00 H new ATOM 0 HD2 LYS B 49 6.797 -14.192 -0.074 1.00 0.00 H new ATOM 0 HD3 LYS B 49 7.669 -13.199 -1.226 1.00 0.00 H new ATOM 0 HE2 LYS B 49 7.885 -12.960 1.802 1.00 0.00 H new ATOM 0 HE3 LYS B 49 9.036 -13.791 0.775 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 9.988 -11.731 1.016 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 9.150 -11.520 -0.446 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 8.507 -10.901 0.998 1.00 0.00 H new ATOM 1070 N ARG B 50 3.685 -9.903 0.717 1.00 0.00 N ATOM 1071 CA ARG B 50 3.064 -9.617 2.004 1.00 0.00 C ATOM 1072 C ARG B 50 3.493 -10.628 3.063 1.00 0.00 C ATOM 1073 O ARG B 50 3.725 -11.799 2.761 1.00 0.00 O ATOM 1074 CB ARG B 50 1.541 -9.625 1.865 1.00 0.00 C ATOM 1075 CG ARG B 50 0.984 -10.938 1.338 1.00 0.00 C ATOM 1076 CD ARG B 50 -0.522 -10.870 1.149 1.00 0.00 C ATOM 1077 NE ARG B 50 -1.065 -12.125 0.633 1.00 0.00 N ATOM 1078 CZ ARG B 50 -2.259 -12.232 0.063 1.00 0.00 C ATOM 1079 NH1 ARG B 50 -3.034 -11.165 -0.069 1.00 0.00 N ATOM 1080 NH2 ARG B 50 -2.682 -13.410 -0.381 1.00 0.00 N ATOM 0 H ARG B 50 3.104 -10.452 0.083 1.00 0.00 H new ATOM 0 HA ARG B 50 3.394 -8.629 2.324 1.00 0.00 H new ATOM 0 HB2 ARG B 50 1.095 -9.415 2.837 1.00 0.00 H new ATOM 0 HB3 ARG B 50 1.241 -8.818 1.196 1.00 0.00 H new ATOM 0 HG2 ARG B 50 1.460 -11.181 0.388 1.00 0.00 H new ATOM 0 HG3 ARG B 50 1.228 -11.742 2.032 1.00 0.00 H new ATOM 0 HD2 ARG B 50 -0.997 -10.634 2.101 1.00 0.00 H new ATOM 0 HD3 ARG B 50 -0.765 -10.060 0.462 1.00 0.00 H new ATOM 0 HE ARG B 50 -0.494 -12.966 0.716 1.00 0.00 H new ATOM 0 HH11 ARG B 50 -2.714 -10.257 0.268 1.00 0.00 H new ATOM 0 HH12 ARG B 50 -3.951 -11.252 -0.508 1.00 0.00 H new ATOM 0 HH21 ARG B 50 -2.089 -14.234 -0.284 1.00 0.00 H new ATOM 0 HH22 ARG B 50 -3.600 -13.490 -0.819 1.00 0.00 H new ATOM 1349 N GLU B 71 0.333 -0.312 18.041 1.00 0.00 N ATOM 1350 CA GLU B 71 0.078 0.572 16.908 1.00 0.00 C ATOM 1351 C GLU B 71 -0.026 -0.219 15.607 1.00 0.00 C ATOM 1352 O GLU B 71 0.021 -1.449 15.611 1.00 0.00 O ATOM 1353 CB GLU B 71 1.185 1.623 16.794 1.00 0.00 C ATOM 1354 CG GLU B 71 1.280 2.540 18.001 1.00 0.00 C ATOM 1355 CD GLU B 71 2.388 3.565 17.870 1.00 0.00 C ATOM 1356 OE1 GLU B 71 2.121 4.664 17.340 1.00 0.00 O ATOM 1357 OE2 GLU B 71 3.525 3.271 18.295 1.00 0.00 O ATOM 0 HA GLU B 71 -0.874 1.074 17.081 1.00 0.00 H new ATOM 0 HB2 GLU B 71 2.141 1.118 16.656 1.00 0.00 H new ATOM 0 HB3 GLU B 71 1.011 2.226 15.903 1.00 0.00 H new ATOM 0 HG2 GLU B 71 0.329 3.054 18.137 1.00 0.00 H new ATOM 0 HG3 GLU B 71 1.449 1.940 18.895 1.00 0.00 H new ATOM 1364 N SER B 72 -0.172 0.497 14.497 1.00 0.00 N ATOM 1365 CA SER B 72 -0.283 -0.136 13.189 1.00 0.00 C ATOM 1366 C SER B 72 1.079 -0.208 12.505 1.00 0.00 C ATOM 1367 O SER B 72 1.671 0.817 12.170 1.00 0.00 O ATOM 1368 CB SER B 72 -1.267 0.634 12.308 1.00 0.00 C ATOM 1369 OG SER B 72 -1.387 0.034 11.030 1.00 0.00 O ATOM 0 H SER B 72 -0.216 1.516 14.478 1.00 0.00 H new ATOM 0 HA SER B 72 -0.653 -1.151 13.334 1.00 0.00 H new ATOM 0 HB2 SER B 72 -2.244 0.666 12.791 1.00 0.00 H new ATOM 0 HB3 SER B 72 -0.931 1.665 12.199 1.00 0.00 H new ATOM 0 HG SER B 72 -2.023 0.545 10.487 1.00 0.00 H new ATOM 1375 N THR B 73 1.570 -1.426 12.303 1.00 0.00 N ATOM 1376 CA THR B 73 2.863 -1.634 11.663 1.00 0.00 C ATOM 1377 C THR B 73 2.757 -2.643 10.524 1.00 0.00 C ATOM 1378 O THR B 73 2.563 -3.837 10.757 1.00 0.00 O ATOM 1379 CB THR B 73 3.918 -2.122 12.672 1.00 0.00 C ATOM 1380 OG1 THR B 73 4.030 -1.187 13.753 1.00 0.00 O ATOM 1381 CG2 THR B 73 5.275 -2.291 12.002 1.00 0.00 C ATOM 0 H THR B 73 1.091 -2.285 12.574 1.00 0.00 H new ATOM 0 HA THR B 73 3.176 -0.670 11.262 1.00 0.00 H new ATOM 0 HB THR B 73 3.598 -3.090 13.057 1.00 0.00 H new ATOM 0 HG1 THR B 73 4.702 -1.505 14.392 1.00 0.00 H new ATOM 0 HG21 THR B 73 6.003 -2.637 12.736 1.00 0.00 H new ATOM 0 HG22 THR B 73 5.195 -3.023 11.198 1.00 0.00 H new ATOM 0 HG23 THR B 73 5.600 -1.335 11.591 1.00 0.00 H new ATOM 1389 N TRP B 74 2.885 -2.157 9.294 1.00 0.00 N ATOM 1390 CA TRP B 74 2.807 -3.016 8.118 1.00 0.00 C ATOM 1391 C TRP B 74 4.199 -3.315 7.574 1.00 0.00 C ATOM 1392 O TRP B 74 5.089 -2.465 7.619 1.00 0.00 O ATOM 1393 CB TRP B 74 1.953 -2.355 7.035 1.00 0.00 C ATOM 1394 CG TRP B 74 0.568 -2.021 7.492 1.00 0.00 C ATOM 1395 CD1 TRP B 74 0.124 -0.811 7.947 1.00 0.00 C ATOM 1396 CD2 TRP B 74 -0.556 -2.905 7.544 1.00 0.00 C ATOM 1397 NE1 TRP B 74 -1.207 -0.891 8.277 1.00 0.00 N ATOM 1398 CE2 TRP B 74 -1.647 -2.167 8.039 1.00 0.00 C ATOM 1399 CE3 TRP B 74 -0.746 -4.251 7.221 1.00 0.00 C ATOM 1400 CZ2 TRP B 74 -2.909 -2.728 8.216 1.00 0.00 C ATOM 1401 CZ3 TRP B 74 -1.999 -4.808 7.397 1.00 0.00 C ATOM 1402 CH2 TRP B 74 -3.066 -4.047 7.889 1.00 0.00 C ATOM 0 H TRP B 74 3.043 -1.171 9.085 1.00 0.00 H new ATOM 0 HA TRP B 74 2.341 -3.956 8.413 1.00 0.00 H new ATOM 0 HB2 TRP B 74 2.447 -1.443 6.700 1.00 0.00 H new ATOM 0 HB3 TRP B 74 1.893 -3.020 6.174 1.00 0.00 H new ATOM 0 HD1 TRP B 74 0.731 0.078 8.034 1.00 0.00 H new ATOM 0 HE1 TRP B 74 -1.775 -0.126 8.640 1.00 0.00 H new ATOM 0 HE3 TRP B 74 0.071 -4.846 6.841 1.00 0.00 H new ATOM 0 HZ2 TRP B 74 -3.733 -2.144 8.597 1.00 0.00 H new ATOM 0 HZ3 TRP B 74 -2.157 -5.848 7.151 1.00 0.00 H new ATOM 0 HH2 TRP B 74 -4.033 -4.511 8.013 1.00 0.00 H new ATOM 1413 N ARG B 75 4.384 -4.530 7.063 1.00 0.00 N ATOM 1414 CA ARG B 75 5.672 -4.938 6.515 1.00 0.00 C ATOM 1415 C ARG B 75 5.499 -5.682 5.195 1.00 0.00 C ATOM 1416 O ARG B 75 4.700 -6.611 5.093 1.00 0.00 O ATOM 1417 CB ARG B 75 6.418 -5.817 7.511 1.00 0.00 C ATOM 1418 CG ARG B 75 7.870 -6.035 7.137 1.00 0.00 C ATOM 1419 CD ARG B 75 8.672 -6.536 8.319 1.00 0.00 C ATOM 1420 NE ARG B 75 8.702 -5.569 9.413 1.00 0.00 N ATOM 1421 CZ ARG B 75 9.388 -5.749 10.538 1.00 0.00 C ATOM 1422 NH1 ARG B 75 10.099 -6.855 10.716 1.00 0.00 N ATOM 1423 NH2 ARG B 75 9.363 -4.823 11.486 1.00 0.00 N ATOM 0 H ARG B 75 3.659 -5.246 7.018 1.00 0.00 H new ATOM 0 HA ARG B 75 6.255 -4.036 6.327 1.00 0.00 H new ATOM 0 HB2 ARG B 75 6.368 -5.360 8.499 1.00 0.00 H new ATOM 0 HB3 ARG B 75 5.918 -6.783 7.581 1.00 0.00 H new ATOM 0 HG2 ARG B 75 7.934 -6.754 6.320 1.00 0.00 H new ATOM 0 HG3 ARG B 75 8.298 -5.101 6.773 1.00 0.00 H new ATOM 0 HD2 ARG B 75 8.244 -7.473 8.676 1.00 0.00 H new ATOM 0 HD3 ARG B 75 9.691 -6.752 7.999 1.00 0.00 H new ATOM 0 HE ARG B 75 8.167 -4.707 9.308 1.00 0.00 H new ATOM 0 HH11 ARG B 75 10.120 -7.570 9.989 1.00 0.00 H new ATOM 0 HH12 ARG B 75 10.624 -6.990 11.580 1.00 0.00 H new ATOM 0 HH21 ARG B 75 8.817 -3.972 11.353 1.00 0.00 H new ATOM 0 HH22 ARG B 75 9.889 -4.962 12.349 1.00 0.00 H new ATOM 1437 N PHE B 76 6.257 -5.262 4.184 1.00 0.00 N ATOM 1438 CA PHE B 76 6.194 -5.885 2.867 1.00 0.00 C ATOM 1439 C PHE B 76 7.594 -6.063 2.290 1.00 0.00 C ATOM 1440 O PHE B 76 8.323 -5.090 2.100 1.00 0.00 O ATOM 1441 CB PHE B 76 5.346 -5.039 1.914 1.00 0.00 C ATOM 1442 CG PHE B 76 3.965 -4.749 2.427 1.00 0.00 C ATOM 1443 CD1 PHE B 76 3.697 -3.573 3.108 1.00 0.00 C ATOM 1444 CD2 PHE B 76 2.934 -5.652 2.225 1.00 0.00 C ATOM 1445 CE1 PHE B 76 2.428 -3.302 3.579 1.00 0.00 C ATOM 1446 CE2 PHE B 76 1.661 -5.387 2.694 1.00 0.00 C ATOM 1447 CZ PHE B 76 1.408 -4.210 3.370 1.00 0.00 C ATOM 0 H PHE B 76 6.922 -4.492 4.254 1.00 0.00 H new ATOM 0 HA PHE B 76 5.731 -6.866 2.978 1.00 0.00 H new ATOM 0 HB2 PHE B 76 5.859 -4.096 1.726 1.00 0.00 H new ATOM 0 HB3 PHE B 76 5.267 -5.555 0.957 1.00 0.00 H new ATOM 0 HD1 PHE B 76 4.491 -2.859 3.273 1.00 0.00 H new ATOM 0 HD2 PHE B 76 3.127 -6.573 1.695 1.00 0.00 H new ATOM 0 HE1 PHE B 76 2.233 -2.382 4.110 1.00 0.00 H new ATOM 0 HE2 PHE B 76 0.866 -6.099 2.532 1.00 0.00 H new ATOM 0 HZ PHE B 76 0.414 -3.999 3.735 1.00 0.00 H new ATOM 1457 N ARG B 77 7.965 -7.309 2.010 1.00 0.00 N ATOM 1458 CA ARG B 77 9.281 -7.603 1.455 1.00 0.00 C ATOM 1459 C ARG B 77 9.222 -7.694 -0.065 1.00 0.00 C ATOM 1460 O ARG B 77 8.453 -8.478 -0.619 1.00 0.00 O ATOM 1461 CB ARG B 77 9.829 -8.913 2.024 1.00 0.00 C ATOM 1462 CG ARG B 77 11.170 -9.315 1.429 1.00 0.00 C ATOM 1463 CD ARG B 77 12.304 -8.469 1.982 1.00 0.00 C ATOM 1464 NE ARG B 77 12.510 -8.697 3.410 1.00 0.00 N ATOM 1465 CZ ARG B 77 13.680 -8.539 4.022 1.00 0.00 C ATOM 1466 NH1 ARG B 77 14.745 -8.149 3.335 1.00 0.00 N ATOM 1467 NH2 ARG B 77 13.785 -8.770 5.323 1.00 0.00 N ATOM 0 H ARG B 77 7.375 -8.128 2.158 1.00 0.00 H new ATOM 0 HA ARG B 77 9.947 -6.787 1.735 1.00 0.00 H new ATOM 0 HB2 ARG B 77 9.934 -8.816 3.105 1.00 0.00 H new ATOM 0 HB3 ARG B 77 9.107 -9.709 1.844 1.00 0.00 H new ATOM 0 HG2 ARG B 77 11.363 -10.366 1.642 1.00 0.00 H new ATOM 0 HG3 ARG B 77 11.133 -9.211 0.345 1.00 0.00 H new ATOM 0 HD2 ARG B 77 13.223 -8.697 1.442 1.00 0.00 H new ATOM 0 HD3 ARG B 77 12.087 -7.415 1.811 1.00 0.00 H new ATOM 0 HE ARG B 77 11.711 -8.994 3.970 1.00 0.00 H new ATOM 0 HH11 ARG B 77 14.668 -7.969 2.334 1.00 0.00 H new ATOM 0 HH12 ARG B 77 15.641 -8.029 3.808 1.00 0.00 H new ATOM 0 HH21 ARG B 77 12.968 -9.069 5.855 1.00 0.00 H new ATOM 0 HH22 ARG B 77 14.683 -8.649 5.792 1.00 0.00 H new ATOM 1481 N VAL B 78 10.043 -6.891 -0.731 1.00 0.00 N ATOM 1482 CA VAL B 78 10.084 -6.886 -2.188 1.00 0.00 C ATOM 1483 C VAL B 78 10.508 -8.251 -2.722 1.00 0.00 C ATOM 1484 O VAL B 78 11.534 -8.794 -2.311 1.00 0.00 O ATOM 1485 CB VAL B 78 11.050 -5.812 -2.719 1.00 0.00 C ATOM 1486 CG1 VAL B 78 10.930 -5.682 -4.229 1.00 0.00 C ATOM 1487 CG2 VAL B 78 10.782 -4.480 -2.038 1.00 0.00 C ATOM 0 H VAL B 78 10.687 -6.237 -0.287 1.00 0.00 H new ATOM 0 HA VAL B 78 9.077 -6.656 -2.537 1.00 0.00 H new ATOM 0 HB VAL B 78 12.071 -6.117 -2.488 1.00 0.00 H new ATOM 0 HG11 VAL B 78 11.621 -4.918 -4.584 1.00 0.00 H new ATOM 0 HG12 VAL B 78 11.172 -6.636 -4.697 1.00 0.00 H new ATOM 0 HG13 VAL B 78 9.910 -5.399 -4.490 1.00 0.00 H new ATOM 0 HG21 VAL B 78 11.472 -3.729 -2.423 1.00 0.00 H new ATOM 0 HG22 VAL B 78 9.757 -4.168 -2.240 1.00 0.00 H new ATOM 0 HG23 VAL B 78 10.924 -4.586 -0.963 1.00 0.00 H new ATOM 1497 N ALA B 79 9.715 -8.801 -3.637 1.00 0.00 N ATOM 1498 CA ALA B 79 10.009 -10.108 -4.212 1.00 0.00 C ATOM 1499 C ALA B 79 10.194 -10.033 -5.726 1.00 0.00 C ATOM 1500 O ALA B 79 11.034 -10.737 -6.289 1.00 0.00 O ATOM 1501 CB ALA B 79 8.907 -11.096 -3.861 1.00 0.00 C ATOM 0 H ALA B 79 8.866 -8.363 -3.995 1.00 0.00 H new ATOM 0 HA ALA B 79 10.950 -10.454 -3.784 1.00 0.00 H new ATOM 0 HB1 ALA B 79 9.138 -12.068 -4.296 1.00 0.00 H new ATOM 0 HB2 ALA B 79 8.835 -11.191 -2.778 1.00 0.00 H new ATOM 0 HB3 ALA B 79 7.957 -10.738 -4.258 1.00 0.00 H new ATOM 1507 N ALA B 80 9.412 -9.182 -6.382 1.00 0.00 N ATOM 1508 CA ALA B 80 9.501 -9.031 -7.830 1.00 0.00 C ATOM 1509 C ALA B 80 9.338 -7.578 -8.250 1.00 0.00 C ATOM 1510 O ALA B 80 9.055 -6.709 -7.426 1.00 0.00 O ATOM 1511 CB ALA B 80 8.456 -9.895 -8.518 1.00 0.00 C ATOM 0 H ALA B 80 8.712 -8.589 -5.936 1.00 0.00 H new ATOM 0 HA ALA B 80 10.494 -9.360 -8.137 1.00 0.00 H new ATOM 0 HB1 ALA B 80 8.535 -9.771 -9.598 1.00 0.00 H new ATOM 0 HB2 ALA B 80 8.621 -10.941 -8.260 1.00 0.00 H new ATOM 0 HB3 ALA B 80 7.461 -9.593 -8.190 1.00 0.00 H new ATOM 1517 N SER B 81 9.521 -7.321 -9.541 1.00 0.00 N ATOM 1518 CA SER B 81 9.398 -5.980 -10.080 1.00 0.00 C ATOM 1519 C SER B 81 7.946 -5.645 -10.396 1.00 0.00 C ATOM 1520 O SER B 81 7.032 -6.383 -10.030 1.00 0.00 O ATOM 1521 CB SER B 81 10.249 -5.847 -11.339 1.00 0.00 C ATOM 1522 OG SER B 81 9.547 -6.305 -12.481 1.00 0.00 O ATOM 0 H SER B 81 9.756 -8.032 -10.234 1.00 0.00 H new ATOM 0 HA SER B 81 9.752 -5.276 -9.326 1.00 0.00 H new ATOM 0 HB2 SER B 81 10.536 -4.805 -11.479 1.00 0.00 H new ATOM 0 HB3 SER B 81 11.170 -6.418 -11.221 1.00 0.00 H new ATOM 0 HG SER B 81 10.114 -6.207 -13.274 1.00 0.00 H new ATOM 1528 N GLY B 82 7.746 -4.528 -11.087 1.00 0.00 N ATOM 1529 CA GLY B 82 6.407 -4.102 -11.448 1.00 0.00 C ATOM 1530 C GLY B 82 6.011 -2.801 -10.779 1.00 0.00 C ATOM 1531 O GLY B 82 6.569 -2.431 -9.745 1.00 0.00 O ATOM 0 H GLY B 82 8.491 -3.908 -11.405 1.00 0.00 H new ATOM 0 HA2 GLY B 82 6.346 -3.984 -12.530 1.00 0.00 H new ATOM 0 HA3 GLY B 82 5.695 -4.880 -11.172 1.00 0.00 H new ATOM 1535 N ASP B 83 5.043 -2.105 -11.369 1.00 0.00 N ATOM 1536 CA ASP B 83 4.569 -0.841 -10.830 1.00 0.00 C ATOM 1537 C ASP B 83 3.443 -1.063 -9.824 1.00 0.00 C ATOM 1538 O ASP B 83 2.712 -2.050 -9.908 1.00 0.00 O ATOM 1539 CB ASP B 83 4.085 0.056 -11.967 1.00 0.00 C ATOM 1540 CG ASP B 83 3.039 -0.620 -12.832 1.00 0.00 C ATOM 1541 OD1 ASP B 83 3.423 -1.285 -13.817 1.00 0.00 O ATOM 1542 OD2 ASP B 83 1.835 -0.486 -12.523 1.00 0.00 O ATOM 0 H ASP B 83 4.572 -2.400 -12.224 1.00 0.00 H new ATOM 0 HA ASP B 83 5.396 -0.356 -10.312 1.00 0.00 H new ATOM 0 HB2 ASP B 83 3.670 0.974 -11.550 1.00 0.00 H new ATOM 0 HB3 ASP B 83 4.935 0.343 -12.587 1.00 0.00 H new ATOM 1547 N ASP B 84 3.308 -0.140 -8.877 1.00 0.00 N ATOM 1548 CA ASP B 84 2.271 -0.236 -7.858 1.00 0.00 C ATOM 1549 C ASP B 84 2.131 1.077 -7.093 1.00 0.00 C ATOM 1550 O ASP B 84 2.783 2.070 -7.418 1.00 0.00 O ATOM 1551 CB ASP B 84 2.589 -1.375 -6.887 1.00 0.00 C ATOM 1552 CG ASP B 84 3.924 -1.190 -6.193 1.00 0.00 C ATOM 1553 OD1 ASP B 84 4.964 -1.258 -6.881 1.00 0.00 O ATOM 1554 OD2 ASP B 84 3.929 -0.979 -4.964 1.00 0.00 O ATOM 0 H ASP B 84 3.905 0.683 -8.795 1.00 0.00 H new ATOM 0 HA ASP B 84 1.325 -0.444 -8.357 1.00 0.00 H new ATOM 0 HB2 ASP B 84 1.800 -1.441 -6.138 1.00 0.00 H new ATOM 0 HB3 ASP B 84 2.593 -2.320 -7.430 1.00 0.00 H new ATOM 1559 N ARG B 85 1.272 1.077 -6.077 1.00 0.00 N ATOM 1560 CA ARG B 85 1.041 2.266 -5.267 1.00 0.00 C ATOM 1561 C ARG B 85 0.291 1.911 -3.989 1.00 0.00 C ATOM 1562 O ARG B 85 -0.910 1.644 -4.022 1.00 0.00 O ATOM 1563 CB ARG B 85 0.249 3.299 -6.064 1.00 0.00 C ATOM 1564 CG ARG B 85 0.055 4.614 -5.330 1.00 0.00 C ATOM 1565 CD ARG B 85 -0.737 5.607 -6.162 1.00 0.00 C ATOM 1566 NE ARG B 85 -0.931 6.875 -5.464 1.00 0.00 N ATOM 1567 CZ ARG B 85 -1.587 7.909 -5.982 1.00 0.00 C ATOM 1568 NH1 ARG B 85 -2.109 7.826 -7.199 1.00 0.00 N ATOM 1569 NH2 ARG B 85 -1.721 9.028 -5.283 1.00 0.00 N ATOM 0 H ARG B 85 0.724 0.264 -5.796 1.00 0.00 H new ATOM 0 HA ARG B 85 2.008 2.688 -4.995 1.00 0.00 H new ATOM 0 HB2 ARG B 85 0.763 3.491 -7.006 1.00 0.00 H new ATOM 0 HB3 ARG B 85 -0.728 2.883 -6.312 1.00 0.00 H new ATOM 0 HG2 ARG B 85 -0.463 4.433 -4.388 1.00 0.00 H new ATOM 0 HG3 ARG B 85 1.027 5.040 -5.082 1.00 0.00 H new ATOM 0 HD2 ARG B 85 -0.217 5.787 -7.103 1.00 0.00 H new ATOM 0 HD3 ARG B 85 -1.708 5.178 -6.411 1.00 0.00 H new ATOM 0 HE ARG B 85 -0.541 6.973 -4.526 1.00 0.00 H new ATOM 0 HH11 ARG B 85 -2.008 6.967 -7.740 1.00 0.00 H new ATOM 0 HH12 ARG B 85 -2.612 8.621 -7.594 1.00 0.00 H new ATOM 0 HH21 ARG B 85 -1.321 9.096 -4.347 1.00 0.00 H new ATOM 0 HH22 ARG B 85 -2.224 9.821 -5.681 1.00 0.00 H new ATOM 1583 N LEU B 86 1.000 1.917 -2.865 1.00 0.00 N ATOM 1584 CA LEU B 86 0.393 1.588 -1.584 1.00 0.00 C ATOM 1585 C LEU B 86 -0.750 2.542 -1.259 1.00 0.00 C ATOM 1586 O LEU B 86 -0.649 3.748 -1.473 1.00 0.00 O ATOM 1587 CB LEU B 86 1.442 1.625 -0.471 1.00 0.00 C ATOM 1588 CG LEU B 86 2.242 0.332 -0.280 1.00 0.00 C ATOM 1589 CD1 LEU B 86 3.175 0.457 0.912 1.00 0.00 C ATOM 1590 CD2 LEU B 86 1.311 -0.856 -0.092 1.00 0.00 C ATOM 0 H LEU B 86 1.993 2.146 -2.817 1.00 0.00 H new ATOM 0 HA LEU B 86 -0.013 0.579 -1.654 1.00 0.00 H new ATOM 0 HB2 LEU B 86 2.139 2.437 -0.679 1.00 0.00 H new ATOM 0 HB3 LEU B 86 0.943 1.866 0.468 1.00 0.00 H new ATOM 0 HG LEU B 86 2.837 0.166 -1.178 1.00 0.00 H new ATOM 0 HD11 LEU B 86 3.736 -0.470 1.034 1.00 0.00 H new ATOM 0 HD12 LEU B 86 3.868 1.282 0.746 1.00 0.00 H new ATOM 0 HD13 LEU B 86 2.591 0.649 1.812 1.00 0.00 H new ATOM 0 HD21 LEU B 86 1.901 -1.763 0.042 1.00 0.00 H new ATOM 0 HD22 LEU B 86 0.689 -0.695 0.788 1.00 0.00 H new ATOM 0 HD23 LEU B 86 0.675 -0.963 -0.971 1.00 0.00 H new ATOM 1602 N GLU B 87 -1.841 1.986 -0.740 1.00 0.00 N ATOM 1603 CA GLU B 87 -3.010 2.781 -0.383 1.00 0.00 C ATOM 1604 C GLU B 87 -3.586 2.326 0.953 1.00 0.00 C ATOM 1605 O GLU B 87 -4.090 1.210 1.073 1.00 0.00 O ATOM 1606 CB GLU B 87 -4.080 2.676 -1.475 1.00 0.00 C ATOM 1607 CG GLU B 87 -3.557 2.966 -2.873 1.00 0.00 C ATOM 1608 CD GLU B 87 -4.638 3.475 -3.806 1.00 0.00 C ATOM 1609 OE1 GLU B 87 -5.285 2.641 -4.474 1.00 0.00 O ATOM 1610 OE2 GLU B 87 -4.840 4.705 -3.868 1.00 0.00 O ATOM 0 H GLU B 87 -1.939 0.987 -0.557 1.00 0.00 H new ATOM 0 HA GLU B 87 -2.697 3.821 -0.291 1.00 0.00 H new ATOM 0 HB2 GLU B 87 -4.507 1.673 -1.457 1.00 0.00 H new ATOM 0 HB3 GLU B 87 -4.888 3.371 -1.248 1.00 0.00 H new ATOM 0 HG2 GLU B 87 -2.758 3.705 -2.812 1.00 0.00 H new ATOM 0 HG3 GLU B 87 -3.121 2.058 -3.289 1.00 0.00 H new ATOM 1617 N LEU B 88 -3.503 3.193 1.956 1.00 0.00 N ATOM 1618 CA LEU B 88 -4.015 2.876 3.285 1.00 0.00 C ATOM 1619 C LEU B 88 -4.951 3.972 3.783 1.00 0.00 C ATOM 1620 O LEU B 88 -4.539 5.117 3.969 1.00 0.00 O ATOM 1621 CB LEU B 88 -2.864 2.688 4.275 1.00 0.00 C ATOM 1622 CG LEU B 88 -1.886 1.558 3.938 1.00 0.00 C ATOM 1623 CD1 LEU B 88 -0.866 2.018 2.908 1.00 0.00 C ATOM 1624 CD2 LEU B 88 -1.193 1.062 5.197 1.00 0.00 C ATOM 0 H LEU B 88 -3.086 4.120 1.875 1.00 0.00 H new ATOM 0 HA LEU B 88 -4.576 1.944 3.213 1.00 0.00 H new ATOM 0 HB2 LEU B 88 -2.306 3.622 4.339 1.00 0.00 H new ATOM 0 HB3 LEU B 88 -3.284 2.500 5.263 1.00 0.00 H new ATOM 0 HG LEU B 88 -2.451 0.731 3.508 1.00 0.00 H new ATOM 0 HD11 LEU B 88 -0.181 1.200 2.683 1.00 0.00 H new ATOM 0 HD12 LEU B 88 -1.381 2.321 1.996 1.00 0.00 H new ATOM 0 HD13 LEU B 88 -0.304 2.863 3.305 1.00 0.00 H new ATOM 0 HD21 LEU B 88 -0.502 0.259 4.940 1.00 0.00 H new ATOM 0 HD22 LEU B 88 -0.642 1.883 5.656 1.00 0.00 H new ATOM 0 HD23 LEU B 88 -1.938 0.688 5.899 1.00 0.00 H new ATOM 1636 N VAL B 89 -6.214 3.614 3.999 1.00 0.00 N ATOM 1637 CA VAL B 89 -7.205 4.568 4.481 1.00 0.00 C ATOM 1638 C VAL B 89 -7.510 4.335 5.952 1.00 0.00 C ATOM 1639 O VAL B 89 -7.253 3.256 6.489 1.00 0.00 O ATOM 1640 CB VAL B 89 -8.517 4.480 3.672 1.00 0.00 C ATOM 1641 CG1 VAL B 89 -9.222 3.156 3.929 1.00 0.00 C ATOM 1642 CG2 VAL B 89 -9.438 5.647 3.993 1.00 0.00 C ATOM 0 H VAL B 89 -6.574 2.672 3.848 1.00 0.00 H new ATOM 0 HA VAL B 89 -6.779 5.563 4.351 1.00 0.00 H new ATOM 0 HB VAL B 89 -8.261 4.533 2.614 1.00 0.00 H new ATOM 0 HG11 VAL B 89 -10.144 3.116 3.349 1.00 0.00 H new ATOM 0 HG12 VAL B 89 -8.571 2.334 3.633 1.00 0.00 H new ATOM 0 HG13 VAL B 89 -9.457 3.069 4.990 1.00 0.00 H new ATOM 0 HG21 VAL B 89 -10.354 5.559 3.409 1.00 0.00 H new ATOM 0 HG22 VAL B 89 -9.682 5.636 5.055 1.00 0.00 H new ATOM 0 HG23 VAL B 89 -8.938 6.584 3.745 1.00 0.00 H new ATOM 1652 N TYR B 90 -8.059 5.351 6.600 1.00 0.00 N ATOM 1653 CA TYR B 90 -8.404 5.259 8.013 1.00 0.00 C ATOM 1654 C TYR B 90 -9.649 4.393 8.198 1.00 0.00 C ATOM 1655 O TYR B 90 -9.544 3.180 8.379 1.00 0.00 O ATOM 1656 CB TYR B 90 -8.626 6.660 8.597 1.00 0.00 C ATOM 1657 CG TYR B 90 -8.248 6.808 10.060 1.00 0.00 C ATOM 1658 CD1 TYR B 90 -8.825 7.798 10.844 1.00 0.00 C ATOM 1659 CD2 TYR B 90 -7.313 5.967 10.657 1.00 0.00 C ATOM 1660 CE1 TYR B 90 -8.486 7.945 12.175 1.00 0.00 C ATOM 1661 CE2 TYR B 90 -6.970 6.107 11.986 1.00 0.00 C ATOM 1662 CZ TYR B 90 -7.559 7.100 12.742 1.00 0.00 C ATOM 1663 OH TYR B 90 -7.219 7.243 14.067 1.00 0.00 O ATOM 0 H TYR B 90 -8.276 6.250 6.171 1.00 0.00 H new ATOM 0 HA TYR B 90 -7.578 4.791 8.548 1.00 0.00 H new ATOM 0 HB2 TYR B 90 -8.049 7.377 8.013 1.00 0.00 H new ATOM 0 HB3 TYR B 90 -9.677 6.925 8.479 1.00 0.00 H new ATOM 0 HD1 TYR B 90 -9.552 8.465 10.405 1.00 0.00 H new ATOM 0 HD2 TYR B 90 -6.847 5.190 10.069 1.00 0.00 H new ATOM 0 HE1 TYR B 90 -8.947 8.720 12.769 1.00 0.00 H new ATOM 0 HE2 TYR B 90 -6.244 5.443 12.432 1.00 0.00 H new ATOM 0 HH TYR B 90 -6.553 6.566 14.309 1.00 0.00 H new ATOM 1673 N ARG B 91 -10.822 5.021 8.139 1.00 0.00 N ATOM 1674 CA ARG B 91 -12.087 4.304 8.288 1.00 0.00 C ATOM 1675 C ARG B 91 -12.070 3.380 9.505 1.00 0.00 C ATOM 1676 O ARG B 91 -11.210 3.497 10.376 1.00 0.00 O ATOM 1677 CB ARG B 91 -12.375 3.496 7.022 1.00 0.00 C ATOM 1678 CG ARG B 91 -13.440 4.113 6.133 1.00 0.00 C ATOM 1679 CD ARG B 91 -13.531 3.398 4.795 1.00 0.00 C ATOM 1680 NE ARG B 91 -12.426 3.746 3.906 1.00 0.00 N ATOM 1681 CZ ARG B 91 -12.510 3.697 2.579 1.00 0.00 C ATOM 1682 NH1 ARG B 91 -13.635 3.309 1.997 1.00 0.00 N ATOM 1683 NH2 ARG B 91 -11.468 4.039 1.834 1.00 0.00 N ATOM 0 H ARG B 91 -10.923 6.025 7.989 1.00 0.00 H new ATOM 0 HA ARG B 91 -12.876 5.040 8.441 1.00 0.00 H new ATOM 0 HB2 ARG B 91 -11.453 3.392 6.450 1.00 0.00 H new ATOM 0 HB3 ARG B 91 -12.689 2.492 7.306 1.00 0.00 H new ATOM 0 HG2 ARG B 91 -14.406 4.069 6.636 1.00 0.00 H new ATOM 0 HG3 ARG B 91 -13.213 5.166 5.969 1.00 0.00 H new ATOM 0 HD2 ARG B 91 -13.536 2.321 4.961 1.00 0.00 H new ATOM 0 HD3 ARG B 91 -14.476 3.651 4.314 1.00 0.00 H new ATOM 0 HE ARG B 91 -11.544 4.042 4.324 1.00 0.00 H new ATOM 0 HH11 ARG B 91 -14.440 3.047 2.566 1.00 0.00 H new ATOM 0 HH12 ARG B 91 -13.697 3.272 0.980 1.00 0.00 H new ATOM 0 HH21 ARG B 91 -10.600 4.340 2.278 1.00 0.00 H new ATOM 0 HH22 ARG B 91 -11.534 4.001 0.817 1.00 0.00 H new ATOM 1697 N ARG B 92 -13.035 2.468 9.557 1.00 0.00 N ATOM 1698 CA ARG B 92 -13.134 1.517 10.658 1.00 0.00 C ATOM 1699 C ARG B 92 -13.157 0.084 10.125 1.00 0.00 C ATOM 1700 O ARG B 92 -13.611 -0.160 9.007 1.00 0.00 O ATOM 1701 CB ARG B 92 -14.388 1.789 11.490 1.00 0.00 C ATOM 1702 CG ARG B 92 -14.542 3.243 11.908 1.00 0.00 C ATOM 1703 CD ARG B 92 -15.774 3.442 12.775 1.00 0.00 C ATOM 1704 NE ARG B 92 -16.189 4.841 12.833 1.00 0.00 N ATOM 1705 CZ ARG B 92 -17.117 5.301 13.667 1.00 0.00 C ATOM 1706 NH1 ARG B 92 -17.715 4.477 14.518 1.00 0.00 N ATOM 1707 NH2 ARG B 92 -17.449 6.584 13.653 1.00 0.00 N ATOM 0 H ARG B 92 -13.761 2.367 8.848 1.00 0.00 H new ATOM 0 HA ARG B 92 -12.259 1.639 11.296 1.00 0.00 H new ATOM 0 HB2 ARG B 92 -15.265 1.490 10.916 1.00 0.00 H new ATOM 0 HB3 ARG B 92 -14.363 1.164 12.383 1.00 0.00 H new ATOM 0 HG2 ARG B 92 -13.655 3.562 12.455 1.00 0.00 H new ATOM 0 HG3 ARG B 92 -14.613 3.873 11.021 1.00 0.00 H new ATOM 0 HD2 ARG B 92 -16.593 2.838 12.384 1.00 0.00 H new ATOM 0 HD3 ARG B 92 -15.568 3.084 13.784 1.00 0.00 H new ATOM 0 HE ARG B 92 -15.742 5.502 12.198 1.00 0.00 H new ATOM 0 HH11 ARG B 92 -17.463 3.489 14.533 1.00 0.00 H new ATOM 0 HH12 ARG B 92 -18.427 4.832 15.157 1.00 0.00 H new ATOM 0 HH21 ARG B 92 -16.992 7.222 13.001 1.00 0.00 H new ATOM 0 HH22 ARG B 92 -18.161 6.934 14.294 1.00 0.00 H new ATOM 1721 N PRO B 93 -12.665 -0.884 10.919 1.00 0.00 N ATOM 1722 CA PRO B 93 -12.620 -2.297 10.515 1.00 0.00 C ATOM 1723 C PRO B 93 -14.004 -2.919 10.338 1.00 0.00 C ATOM 1724 O PRO B 93 -14.135 -3.988 9.740 1.00 0.00 O ATOM 1725 CB PRO B 93 -11.877 -2.984 11.669 1.00 0.00 C ATOM 1726 CG PRO B 93 -11.210 -1.883 12.419 1.00 0.00 C ATOM 1727 CD PRO B 93 -12.105 -0.690 12.263 1.00 0.00 C ATOM 0 HA PRO B 93 -12.138 -2.410 9.544 1.00 0.00 H new ATOM 0 HB2 PRO B 93 -12.567 -3.534 12.309 1.00 0.00 H new ATOM 0 HB3 PRO B 93 -11.148 -3.703 11.295 1.00 0.00 H new ATOM 0 HG2 PRO B 93 -11.084 -2.144 13.470 1.00 0.00 H new ATOM 0 HG3 PRO B 93 -10.216 -1.682 12.019 1.00 0.00 H new ATOM 0 HD2 PRO B 93 -12.883 -0.664 13.026 1.00 0.00 H new ATOM 0 HD3 PRO B 93 -11.551 0.245 12.340 1.00 0.00 H new ATOM 1735 N TRP B 94 -15.036 -2.256 10.857 1.00 0.00 N ATOM 1736 CA TRP B 94 -16.394 -2.775 10.751 1.00 0.00 C ATOM 1737 C TRP B 94 -17.254 -1.915 9.827 1.00 0.00 C ATOM 1738 O TRP B 94 -18.479 -1.907 9.935 1.00 0.00 O ATOM 1739 CB TRP B 94 -17.037 -2.864 12.137 1.00 0.00 C ATOM 1740 CG TRP B 94 -17.148 -1.545 12.842 1.00 0.00 C ATOM 1741 CD1 TRP B 94 -18.129 -0.608 12.684 1.00 0.00 C ATOM 1742 CD2 TRP B 94 -16.251 -1.025 13.825 1.00 0.00 C ATOM 1743 NE1 TRP B 94 -17.892 0.465 13.506 1.00 0.00 N ATOM 1744 CE2 TRP B 94 -16.745 0.233 14.218 1.00 0.00 C ATOM 1745 CE3 TRP B 94 -15.076 -1.500 14.412 1.00 0.00 C ATOM 1746 CZ2 TRP B 94 -16.105 1.019 15.171 1.00 0.00 C ATOM 1747 CZ3 TRP B 94 -14.441 -0.717 15.358 1.00 0.00 C ATOM 1748 CH2 TRP B 94 -14.957 0.530 15.730 1.00 0.00 C ATOM 0 H TRP B 94 -14.957 -1.367 11.350 1.00 0.00 H new ATOM 0 HA TRP B 94 -16.334 -3.774 10.318 1.00 0.00 H new ATOM 0 HB2 TRP B 94 -18.033 -3.296 12.038 1.00 0.00 H new ATOM 0 HB3 TRP B 94 -16.453 -3.547 12.754 1.00 0.00 H new ATOM 0 HD1 TRP B 94 -18.969 -0.698 12.011 1.00 0.00 H new ATOM 0 HE1 TRP B 94 -18.475 1.299 13.575 1.00 0.00 H new ATOM 0 HE3 TRP B 94 -14.671 -2.461 14.132 1.00 0.00 H new ATOM 0 HZ2 TRP B 94 -16.501 1.982 15.459 1.00 0.00 H new ATOM 0 HZ3 TRP B 94 -13.531 -1.074 15.818 1.00 0.00 H new ATOM 0 HH2 TRP B 94 -14.438 1.117 16.473 1.00 0.00 H new ATOM 1759 N GLU B 95 -16.605 -1.201 8.913 1.00 0.00 N ATOM 1760 CA GLU B 95 -17.316 -0.344 7.971 1.00 0.00 C ATOM 1761 C GLU B 95 -16.986 -0.720 6.531 1.00 0.00 C ATOM 1762 O GLU B 95 -15.890 -0.439 6.042 1.00 0.00 O ATOM 1763 CB GLU B 95 -16.973 1.124 8.222 1.00 0.00 C ATOM 1764 CG GLU B 95 -17.385 1.613 9.596 1.00 0.00 C ATOM 1765 CD GLU B 95 -18.889 1.724 9.750 1.00 0.00 C ATOM 1766 OE1 GLU B 95 -19.520 0.721 10.145 1.00 0.00 O ATOM 1767 OE2 GLU B 95 -19.437 2.813 9.475 1.00 0.00 O ATOM 0 H GLU B 95 -15.591 -1.199 8.805 1.00 0.00 H new ATOM 0 HA GLU B 95 -18.385 -0.489 8.126 1.00 0.00 H new ATOM 0 HB2 GLU B 95 -15.899 1.264 8.102 1.00 0.00 H new ATOM 0 HB3 GLU B 95 -17.461 1.738 7.465 1.00 0.00 H new ATOM 0 HG2 GLU B 95 -16.996 0.931 10.352 1.00 0.00 H new ATOM 0 HG3 GLU B 95 -16.932 2.587 9.782 1.00 0.00 H new ATOM 1774 N LYS B 96 -17.939 -1.354 5.857 1.00 0.00 N ATOM 1775 CA LYS B 96 -17.752 -1.768 4.473 1.00 0.00 C ATOM 1776 C LYS B 96 -18.079 -0.623 3.519 1.00 0.00 C ATOM 1777 O LYS B 96 -19.248 -0.327 3.269 1.00 0.00 O ATOM 1778 CB LYS B 96 -18.629 -2.982 4.155 1.00 0.00 C ATOM 1779 CG LYS B 96 -18.432 -3.528 2.749 1.00 0.00 C ATOM 1780 CD LYS B 96 -17.028 -4.077 2.552 1.00 0.00 C ATOM 1781 CE LYS B 96 -16.844 -4.652 1.157 1.00 0.00 C ATOM 1782 NZ LYS B 96 -15.470 -5.185 0.955 1.00 0.00 N ATOM 0 H LYS B 96 -18.850 -1.592 6.248 1.00 0.00 H new ATOM 0 HA LYS B 96 -16.706 -2.044 4.339 1.00 0.00 H new ATOM 0 HB2 LYS B 96 -18.415 -3.772 4.875 1.00 0.00 H new ATOM 0 HB3 LYS B 96 -19.676 -2.707 4.285 1.00 0.00 H new ATOM 0 HG2 LYS B 96 -19.161 -4.316 2.559 1.00 0.00 H new ATOM 0 HG3 LYS B 96 -18.619 -2.738 2.022 1.00 0.00 H new ATOM 0 HD2 LYS B 96 -16.300 -3.283 2.718 1.00 0.00 H new ATOM 0 HD3 LYS B 96 -16.832 -4.851 3.294 1.00 0.00 H new ATOM 0 HE2 LYS B 96 -17.570 -5.448 0.994 1.00 0.00 H new ATOM 0 HE3 LYS B 96 -17.046 -3.879 0.416 1.00 0.00 H new ATOM 0 HZ1 LYS B 96 -15.384 -5.568 -0.008 1.00 0.00 H new ATOM 0 HZ2 LYS B 96 -14.778 -4.420 1.086 1.00 0.00 H new ATOM 0 HZ3 LYS B 96 -15.286 -5.940 1.646 1.00 0.00 H new ATOM 1796 N ASP B 97 -17.038 0.017 2.995 1.00 0.00 N ATOM 1797 CA ASP B 97 -17.208 1.132 2.070 1.00 0.00 C ATOM 1798 C ASP B 97 -18.060 2.235 2.692 1.00 0.00 C ATOM 1799 O ASP B 97 -19.267 2.307 2.460 1.00 0.00 O ATOM 1800 CB ASP B 97 -17.844 0.654 0.764 1.00 0.00 C ATOM 1801 CG ASP B 97 -16.992 -0.376 0.047 1.00 0.00 C ATOM 1802 OD1 ASP B 97 -17.178 -1.582 0.306 1.00 0.00 O ATOM 1803 OD2 ASP B 97 -16.139 0.026 -0.772 1.00 0.00 O ATOM 0 H ASP B 97 -16.066 -0.218 3.196 1.00 0.00 H new ATOM 0 HA ASP B 97 -16.221 1.540 1.854 1.00 0.00 H new ATOM 0 HB2 ASP B 97 -18.824 0.226 0.976 1.00 0.00 H new ATOM 0 HB3 ASP B 97 -18.004 1.509 0.107 1.00 0.00 H new ATOM 1808 N ALA B 98 -17.425 3.085 3.490 1.00 0.00 N ATOM 1809 CA ALA B 98 -18.118 4.188 4.145 1.00 0.00 C ATOM 1810 C ALA B 98 -17.262 5.448 4.135 1.00 0.00 C ATOM 1811 O ALA B 98 -16.095 5.409 3.750 1.00 0.00 O ATOM 1812 CB ALA B 98 -18.487 3.808 5.569 1.00 0.00 C ATOM 0 H ALA B 98 -16.428 3.031 3.700 1.00 0.00 H new ATOM 0 HA ALA B 98 -19.033 4.395 3.590 1.00 0.00 H new ATOM 0 HB1 ALA B 98 -19.004 4.641 6.046 1.00 0.00 H new ATOM 0 HB2 ALA B 98 -19.141 2.936 5.555 1.00 0.00 H new ATOM 0 HB3 ALA B 98 -17.582 3.574 6.129 1.00 0.00 H new ATOM 1818 N GLU B 99 -17.849 6.565 4.559 1.00 0.00 N ATOM 1819 CA GLU B 99 -17.135 7.836 4.597 1.00 0.00 C ATOM 1820 C GLU B 99 -15.884 7.735 5.469 1.00 0.00 C ATOM 1821 O GLU B 99 -15.980 7.625 6.691 1.00 0.00 O ATOM 1822 CB GLU B 99 -18.046 8.944 5.116 1.00 0.00 C ATOM 1823 CG GLU B 99 -19.116 9.353 4.121 1.00 0.00 C ATOM 1824 CD GLU B 99 -19.893 10.574 4.568 1.00 0.00 C ATOM 1825 OE1 GLU B 99 -20.917 10.406 5.262 1.00 0.00 O ATOM 1826 OE2 GLU B 99 -19.479 11.702 4.222 1.00 0.00 O ATOM 0 H GLU B 99 -18.816 6.614 4.880 1.00 0.00 H new ATOM 0 HA GLU B 99 -16.827 8.079 3.580 1.00 0.00 H new ATOM 0 HB2 GLU B 99 -18.524 8.611 6.037 1.00 0.00 H new ATOM 0 HB3 GLU B 99 -17.441 9.815 5.368 1.00 0.00 H new ATOM 0 HG2 GLU B 99 -18.651 9.556 3.156 1.00 0.00 H new ATOM 0 HG3 GLU B 99 -19.806 8.522 3.973 1.00 0.00 H new ATOM 1833 N PRO B 100 -14.690 7.768 4.847 1.00 0.00 N ATOM 1834 CA PRO B 100 -13.418 7.674 5.558 1.00 0.00 C ATOM 1835 C PRO B 100 -12.994 9.001 6.175 1.00 0.00 C ATOM 1836 O PRO B 100 -13.476 10.064 5.783 1.00 0.00 O ATOM 1837 CB PRO B 100 -12.418 7.254 4.467 1.00 0.00 C ATOM 1838 CG PRO B 100 -13.214 7.102 3.207 1.00 0.00 C ATOM 1839 CD PRO B 100 -14.473 7.894 3.405 1.00 0.00 C ATOM 0 HA PRO B 100 -13.478 6.975 6.392 1.00 0.00 H new ATOM 0 HB2 PRO B 100 -11.636 8.004 4.346 1.00 0.00 H new ATOM 0 HB3 PRO B 100 -11.924 6.319 4.731 1.00 0.00 H new ATOM 0 HG2 PRO B 100 -12.654 7.470 2.347 1.00 0.00 H new ATOM 0 HG3 PRO B 100 -13.441 6.053 3.015 1.00 0.00 H new ATOM 0 HD2 PRO B 100 -14.353 8.934 3.100 1.00 0.00 H new ATOM 0 HD3 PRO B 100 -15.305 7.487 2.830 1.00 0.00 H new ATOM 1847 N ALA B 101 -12.088 8.927 7.143 1.00 0.00 N ATOM 1848 CA ALA B 101 -11.586 10.119 7.815 1.00 0.00 C ATOM 1849 C ALA B 101 -10.228 10.526 7.249 1.00 0.00 C ATOM 1850 O ALA B 101 -10.108 11.552 6.578 1.00 0.00 O ATOM 1851 CB ALA B 101 -11.491 9.879 9.313 1.00 0.00 C ATOM 0 H ALA B 101 -11.686 8.053 7.480 1.00 0.00 H new ATOM 0 HA ALA B 101 -12.286 10.936 7.638 1.00 0.00 H new ATOM 0 HB1 ALA B 101 -11.115 10.777 9.802 1.00 0.00 H new ATOM 0 HB2 ALA B 101 -12.479 9.638 9.706 1.00 0.00 H new ATOM 0 HB3 ALA B 101 -10.811 9.049 9.506 1.00 0.00 H new ATOM 1857 N GLU B 102 -9.210 9.715 7.522 1.00 0.00 N ATOM 1858 CA GLU B 102 -7.865 9.984 7.032 1.00 0.00 C ATOM 1859 C GLU B 102 -7.584 9.192 5.761 1.00 0.00 C ATOM 1860 O GLU B 102 -8.469 8.521 5.227 1.00 0.00 O ATOM 1861 CB GLU B 102 -6.828 9.630 8.098 1.00 0.00 C ATOM 1862 CG GLU B 102 -6.522 10.769 9.052 1.00 0.00 C ATOM 1863 CD GLU B 102 -5.555 10.366 10.148 1.00 0.00 C ATOM 1864 OE1 GLU B 102 -6.022 9.919 11.216 1.00 0.00 O ATOM 1865 OE2 GLU B 102 -4.331 10.499 9.938 1.00 0.00 O ATOM 0 H GLU B 102 -9.293 8.866 8.081 1.00 0.00 H new ATOM 0 HA GLU B 102 -7.796 11.048 6.805 1.00 0.00 H new ATOM 0 HB2 GLU B 102 -7.186 8.774 8.671 1.00 0.00 H new ATOM 0 HB3 GLU B 102 -5.905 9.321 7.607 1.00 0.00 H new ATOM 0 HG2 GLU B 102 -6.103 11.605 8.492 1.00 0.00 H new ATOM 0 HG3 GLU B 102 -7.450 11.120 9.502 1.00 0.00 H new ATOM 1872 N SER B 103 -6.349 9.274 5.284 1.00 0.00 N ATOM 1873 CA SER B 103 -5.947 8.565 4.077 1.00 0.00 C ATOM 1874 C SER B 103 -4.430 8.565 3.920 1.00 0.00 C ATOM 1875 O SER B 103 -3.716 9.201 4.697 1.00 0.00 O ATOM 1876 CB SER B 103 -6.596 9.205 2.849 1.00 0.00 C ATOM 1877 OG SER B 103 -6.239 8.518 1.663 1.00 0.00 O ATOM 0 H SER B 103 -5.607 9.825 5.716 1.00 0.00 H new ATOM 0 HA SER B 103 -6.283 7.532 4.165 1.00 0.00 H new ATOM 0 HB2 SER B 103 -7.680 9.199 2.963 1.00 0.00 H new ATOM 0 HB3 SER B 103 -6.289 10.248 2.774 1.00 0.00 H new ATOM 0 HG SER B 103 -6.669 8.947 0.894 1.00 0.00 H new ATOM 1883 N PHE B 104 -3.947 7.850 2.908 1.00 0.00 N ATOM 1884 CA PHE B 104 -2.516 7.765 2.642 1.00 0.00 C ATOM 1885 C PHE B 104 -2.252 7.037 1.326 1.00 0.00 C ATOM 1886 O PHE B 104 -2.669 5.892 1.145 1.00 0.00 O ATOM 1887 CB PHE B 104 -1.801 7.045 3.787 1.00 0.00 C ATOM 1888 CG PHE B 104 -0.305 7.014 3.640 1.00 0.00 C ATOM 1889 CD1 PHE B 104 0.465 8.095 4.039 1.00 0.00 C ATOM 1890 CD2 PHE B 104 0.330 5.905 3.105 1.00 0.00 C ATOM 1891 CE1 PHE B 104 1.840 8.069 3.906 1.00 0.00 C ATOM 1892 CE2 PHE B 104 1.704 5.875 2.968 1.00 0.00 C ATOM 1893 CZ PHE B 104 2.461 6.958 3.370 1.00 0.00 C ATOM 0 H PHE B 104 -4.528 7.320 2.258 1.00 0.00 H new ATOM 0 HA PHE B 104 -2.126 8.780 2.563 1.00 0.00 H new ATOM 0 HB2 PHE B 104 -2.055 7.535 4.727 1.00 0.00 H new ATOM 0 HB3 PHE B 104 -2.172 6.022 3.850 1.00 0.00 H new ATOM 0 HD1 PHE B 104 -0.015 8.967 4.458 1.00 0.00 H new ATOM 0 HD2 PHE B 104 -0.256 5.054 2.791 1.00 0.00 H new ATOM 0 HE1 PHE B 104 2.429 8.917 4.221 1.00 0.00 H new ATOM 0 HE2 PHE B 104 2.186 5.005 2.547 1.00 0.00 H new ATOM 0 HZ PHE B 104 3.536 6.936 3.265 1.00 0.00 H new ATOM 1903 N SER B 105 -1.559 7.708 0.413 1.00 0.00 N ATOM 1904 CA SER B 105 -1.236 7.125 -0.885 1.00 0.00 C ATOM 1905 C SER B 105 0.238 7.325 -1.211 1.00 0.00 C ATOM 1906 O SER B 105 0.712 8.456 -1.320 1.00 0.00 O ATOM 1907 CB SER B 105 -2.104 7.746 -1.980 1.00 0.00 C ATOM 1908 OG SER B 105 -1.874 9.139 -2.085 1.00 0.00 O ATOM 0 H SER B 105 -1.210 8.657 0.547 1.00 0.00 H new ATOM 0 HA SER B 105 -1.440 6.055 -0.839 1.00 0.00 H new ATOM 0 HB2 SER B 105 -1.889 7.266 -2.935 1.00 0.00 H new ATOM 0 HB3 SER B 105 -3.156 7.564 -1.761 1.00 0.00 H new ATOM 0 HG SER B 105 -0.970 9.346 -1.768 1.00 0.00 H new ATOM 1914 N CYS B 106 0.961 6.221 -1.368 1.00 0.00 N ATOM 1915 CA CYS B 106 2.386 6.279 -1.676 1.00 0.00 C ATOM 1916 C CYS B 106 2.705 5.513 -2.956 1.00 0.00 C ATOM 1917 O CYS B 106 2.315 4.355 -3.113 1.00 0.00 O ATOM 1918 CB CYS B 106 3.198 5.708 -0.513 1.00 0.00 C ATOM 1919 SG CYS B 106 4.991 5.985 -0.652 1.00 0.00 S ATOM 0 H CYS B 106 0.585 5.276 -1.287 1.00 0.00 H new ATOM 0 HA CYS B 106 2.656 7.324 -1.827 1.00 0.00 H new ATOM 0 HB2 CYS B 106 2.843 6.153 0.417 1.00 0.00 H new ATOM 0 HB3 CYS B 106 3.011 4.636 -0.445 1.00 0.00 H new ATOM 1924 N ALA B 107 3.420 6.168 -3.866 1.00 0.00 N ATOM 1925 CA ALA B 107 3.798 5.553 -5.133 1.00 0.00 C ATOM 1926 C ALA B 107 4.989 4.620 -4.945 1.00 0.00 C ATOM 1927 O ALA B 107 5.924 4.937 -4.209 1.00 0.00 O ATOM 1928 CB ALA B 107 4.116 6.621 -6.167 1.00 0.00 C ATOM 0 H ALA B 107 3.749 7.126 -3.749 1.00 0.00 H new ATOM 0 HA ALA B 107 2.955 4.963 -5.493 1.00 0.00 H new ATOM 0 HB1 ALA B 107 4.396 6.145 -7.107 1.00 0.00 H new ATOM 0 HB2 ALA B 107 3.238 7.247 -6.325 1.00 0.00 H new ATOM 0 HB3 ALA B 107 4.942 7.237 -5.812 1.00 0.00 H new ATOM 1934 N ILE B 108 4.951 3.473 -5.615 1.00 0.00 N ATOM 1935 CA ILE B 108 6.022 2.489 -5.510 1.00 0.00 C ATOM 1936 C ILE B 108 6.219 1.743 -6.826 1.00 0.00 C ATOM 1937 O ILE B 108 5.256 1.325 -7.464 1.00 0.00 O ATOM 1938 CB ILE B 108 5.730 1.458 -4.398 1.00 0.00 C ATOM 1939 CG1 ILE B 108 5.541 2.160 -3.050 1.00 0.00 C ATOM 1940 CG2 ILE B 108 6.850 0.428 -4.317 1.00 0.00 C ATOM 1941 CD1 ILE B 108 5.201 1.219 -1.914 1.00 0.00 C ATOM 0 H ILE B 108 4.189 3.202 -6.237 1.00 0.00 H new ATOM 0 HA ILE B 108 6.930 3.040 -5.265 1.00 0.00 H new ATOM 0 HB ILE B 108 4.804 0.938 -4.644 1.00 0.00 H new ATOM 0 HG12 ILE B 108 6.454 2.700 -2.801 1.00 0.00 H new ATOM 0 HG13 ILE B 108 4.748 2.902 -3.145 1.00 0.00 H new ATOM 0 HG21 ILE B 108 6.627 -0.290 -3.528 1.00 0.00 H new ATOM 0 HG22 ILE B 108 6.934 -0.094 -5.270 1.00 0.00 H new ATOM 0 HG23 ILE B 108 7.791 0.931 -4.095 1.00 0.00 H new ATOM 0 HD11 ILE B 108 5.082 1.789 -0.992 1.00 0.00 H new ATOM 0 HD12 ILE B 108 4.271 0.697 -2.140 1.00 0.00 H new ATOM 0 HD13 ILE B 108 6.004 0.493 -1.790 1.00 0.00 H new ATOM 1953 N GLN B 109 7.477 1.585 -7.225 1.00 0.00 N ATOM 1954 CA GLN B 109 7.806 0.877 -8.456 1.00 0.00 C ATOM 1955 C GLN B 109 9.062 0.036 -8.263 1.00 0.00 C ATOM 1956 O GLN B 109 9.931 0.384 -7.467 1.00 0.00 O ATOM 1957 CB GLN B 109 8.005 1.862 -9.610 1.00 0.00 C ATOM 1958 CG GLN B 109 6.728 2.573 -10.030 1.00 0.00 C ATOM 1959 CD GLN B 109 6.911 3.420 -11.275 1.00 0.00 C ATOM 1960 OE1 GLN B 109 7.815 2.998 -12.154 1.00 0.00 O flip ATOM 1961 NE2 GLN B 109 6.246 4.439 -11.448 1.00 0.00 N flip ATOM 0 H GLN B 109 8.285 1.938 -6.713 1.00 0.00 H new ATOM 0 HA GLN B 109 6.974 0.218 -8.704 1.00 0.00 H new ATOM 0 HB2 GLN B 109 8.746 2.606 -9.318 1.00 0.00 H new ATOM 0 HB3 GLN B 109 8.412 1.326 -10.468 1.00 0.00 H new ATOM 0 HG2 GLN B 109 5.948 1.833 -10.210 1.00 0.00 H new ATOM 0 HG3 GLN B 109 6.384 3.206 -9.212 1.00 0.00 H new ATOM 0 HE21 GLN B 109 5.563 4.727 -10.748 1.00 0.00 H new ATOM 0 HE22 GLN B 109 6.377 4.997 -12.292 1.00 0.00 H new ATOM 1970 N VAL B 110 9.149 -1.074 -8.988 1.00 0.00 N ATOM 1971 CA VAL B 110 10.304 -1.960 -8.883 1.00 0.00 C ATOM 1972 C VAL B 110 10.762 -2.435 -10.255 1.00 0.00 C ATOM 1973 O VAL B 110 9.971 -2.507 -11.196 1.00 0.00 O ATOM 1974 CB VAL B 110 9.994 -3.195 -8.018 1.00 0.00 C ATOM 1975 CG1 VAL B 110 11.274 -3.947 -7.682 1.00 0.00 C ATOM 1976 CG2 VAL B 110 9.260 -2.795 -6.751 1.00 0.00 C ATOM 0 H VAL B 110 8.438 -1.381 -9.652 1.00 0.00 H new ATOM 0 HA VAL B 110 11.097 -1.379 -8.412 1.00 0.00 H new ATOM 0 HB VAL B 110 9.346 -3.858 -8.591 1.00 0.00 H new ATOM 0 HG11 VAL B 110 11.035 -4.817 -7.070 1.00 0.00 H new ATOM 0 HG12 VAL B 110 11.757 -4.273 -8.603 1.00 0.00 H new ATOM 0 HG13 VAL B 110 11.948 -3.290 -7.132 1.00 0.00 H new ATOM 0 HG21 VAL B 110 9.051 -3.684 -6.155 1.00 0.00 H new ATOM 0 HG22 VAL B 110 9.879 -2.108 -6.174 1.00 0.00 H new ATOM 0 HG23 VAL B 110 8.322 -2.305 -7.013 1.00 0.00 H new ATOM 1986 N ARG B 111 12.046 -2.761 -10.354 1.00 0.00 N ATOM 1987 CA ARG B 111 12.623 -3.243 -11.603 1.00 0.00 C ATOM 1988 C ARG B 111 14.091 -3.613 -11.414 1.00 0.00 C ATOM 1989 O ARG B 111 14.950 -2.719 -11.561 1.00 0.00 O ATOM 1990 CB ARG B 111 12.489 -2.192 -12.702 1.00 0.00 C ATOM 1991 CG ARG B 111 12.598 -2.769 -14.092 1.00 0.00 C ATOM 1992 CD ARG B 111 11.359 -3.560 -14.431 1.00 0.00 C ATOM 1993 NE ARG B 111 11.417 -4.133 -15.774 1.00 0.00 N ATOM 1994 CZ ARG B 111 10.470 -4.916 -16.282 1.00 0.00 C ATOM 1995 NH1 ARG B 111 9.396 -5.218 -15.565 1.00 0.00 N ATOM 1996 NH2 ARG B 111 10.597 -5.398 -17.512 1.00 0.00 N ATOM 1997 OXT ARG B 111 14.370 -4.793 -11.121 1.00 0.00 O ATOM 0 H ARG B 111 12.709 -2.700 -9.581 1.00 0.00 H new ATOM 0 HA ARG B 111 12.073 -4.135 -11.903 1.00 0.00 H new ATOM 0 HB2 ARG B 111 11.528 -1.688 -12.599 1.00 0.00 H new ATOM 0 HB3 ARG B 111 13.262 -1.435 -12.568 1.00 0.00 H new ATOM 0 HG2 ARG B 111 12.734 -1.966 -14.816 1.00 0.00 H new ATOM 0 HG3 ARG B 111 13.477 -3.411 -14.159 1.00 0.00 H new ATOM 0 HD2 ARG B 111 11.231 -4.360 -13.702 1.00 0.00 H new ATOM 0 HD3 ARG B 111 10.485 -2.914 -14.352 1.00 0.00 H new ATOM 0 HE ARG B 111 12.229 -3.921 -16.354 1.00 0.00 H new ATOM 0 HH11 ARG B 111 9.294 -4.849 -14.620 1.00 0.00 H new ATOM 0 HH12 ARG B 111 8.672 -5.819 -15.959 1.00 0.00 H new ATOM 0 HH21 ARG B 111 11.421 -5.168 -18.067 1.00 0.00 H new ATOM 0 HH22 ARG B 111 9.871 -5.999 -17.902 1.00 0.00 H new