USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=15 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 Set 1.1: B 17 LYS NZ :NH3+ 166:sc= -0.262 (180deg=-0.227) USER MOD Set 1.2: B 109 GLN : amide:sc= -0.245 K(o=-0.51,f=-3.2) USER MOD Set 2.1: B 20 GLN : amide:sc= -0.533 K(o=-0.51,f=-1.2) USER MOD Set 2.2: B 81 SER OG : rot 150:sc= 0.0233 USER MOD Set 3.1: B 30 SER OG : rot 180:sc= 0 USER MOD Set 3.2: B 72 SER OG : rot 26:sc= 0.185 USER MOD Single : B 6 THR OG1 : rot 180:sc= -0.68 USER MOD Single : B 14 SER OG : rot 180:sc= 0 USER MOD Single : B 19 THR OG1 : rot 180:sc= -0.142 USER MOD Single : B 22 GLN : amide:sc= -4.46! C(o=-4.5!,f=-7!) USER MOD Single : B 27 THR OG1 : rot 180:sc= -0.053 USER MOD Single : B 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 33 THR OG1 : rot -33:sc= 0.601 USER MOD Single : B 34 THR OG1 : rot -63:sc= 0.765 USER MOD Single : B 42 ASN : amide:sc= -0.742 K(o=-0.74,f=-8.1!) 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 73 THR OG1 : rot 180:sc= 0 USER MOD Single : B 90 TYR OH : rot 133:sc= 0.194 USER MOD Single : B 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 103 SER OG : rot 180:sc= -0.281 USER MOD Single : B 105 SER OG : rot 36:sc= 0.597 USER MOD ----------------------------------------------------------------- ATOM 381 N VAL B 5 12.816 0.999 3.804 1.00 0.00 N ATOM 382 CA VAL B 5 12.247 0.026 4.730 1.00 0.00 C ATOM 383 C VAL B 5 11.115 0.605 5.572 1.00 0.00 C ATOM 384 O VAL B 5 10.620 -0.038 6.498 1.00 0.00 O ATOM 385 CB VAL B 5 13.340 -0.574 5.640 1.00 0.00 C ATOM 386 CG1 VAL B 5 13.383 0.118 6.996 1.00 0.00 C ATOM 387 CG2 VAL B 5 13.115 -2.064 5.797 1.00 0.00 C ATOM 0 HA VAL B 5 11.818 -0.768 4.119 1.00 0.00 H new ATOM 0 HB VAL B 5 14.308 -0.410 5.167 1.00 0.00 H new ATOM 0 HG11 VAL B 5 14.164 -0.331 7.609 1.00 0.00 H new ATOM 0 HG12 VAL B 5 13.595 1.178 6.857 1.00 0.00 H new ATOM 0 HG13 VAL B 5 12.420 0.003 7.494 1.00 0.00 H new ATOM 0 HG21 VAL B 5 13.889 -2.483 6.440 1.00 0.00 H new ATOM 0 HG22 VAL B 5 12.137 -2.239 6.245 1.00 0.00 H new ATOM 0 HG23 VAL B 5 13.157 -2.543 4.819 1.00 0.00 H new ATOM 397 N THR B 6 10.692 1.806 5.231 1.00 0.00 N ATOM 398 CA THR B 6 9.623 2.472 5.946 1.00 0.00 C ATOM 399 C THR B 6 9.006 3.587 5.106 1.00 0.00 C ATOM 400 O THR B 6 9.633 4.100 4.180 1.00 0.00 O ATOM 401 CB THR B 6 10.134 3.073 7.260 1.00 0.00 C ATOM 402 OG1 THR B 6 11.235 2.303 7.763 1.00 0.00 O ATOM 403 CG2 THR B 6 9.025 3.098 8.286 1.00 0.00 C ATOM 0 H THR B 6 11.077 2.345 4.455 1.00 0.00 H new ATOM 0 HA THR B 6 8.864 1.719 6.158 1.00 0.00 H new ATOM 0 HB THR B 6 10.469 4.092 7.068 1.00 0.00 H new ATOM 0 HG1 THR B 6 11.554 2.697 8.602 1.00 0.00 H new ATOM 0 HG21 THR B 6 9.399 3.527 9.216 1.00 0.00 H new ATOM 0 HG22 THR B 6 8.199 3.703 7.914 1.00 0.00 H new ATOM 0 HG23 THR B 6 8.676 2.082 8.470 1.00 0.00 H new ATOM 411 N LEU B 7 7.770 3.958 5.437 1.00 0.00 N ATOM 412 CA LEU B 7 7.071 5.018 4.718 1.00 0.00 C ATOM 413 C LEU B 7 5.854 5.494 5.506 1.00 0.00 C ATOM 414 O LEU B 7 4.867 4.771 5.640 1.00 0.00 O ATOM 415 CB LEU B 7 6.640 4.532 3.332 1.00 0.00 C ATOM 416 CG LEU B 7 5.901 5.568 2.480 1.00 0.00 C ATOM 417 CD1 LEU B 7 6.788 6.777 2.214 1.00 0.00 C ATOM 418 CD2 LEU B 7 5.440 4.948 1.170 1.00 0.00 C ATOM 0 H LEU B 7 7.234 3.540 6.198 1.00 0.00 H new ATOM 0 HA LEU B 7 7.758 5.856 4.599 1.00 0.00 H new ATOM 0 HB2 LEU B 7 7.525 4.202 2.788 1.00 0.00 H new ATOM 0 HB3 LEU B 7 5.998 3.660 3.454 1.00 0.00 H new ATOM 0 HG LEU B 7 5.023 5.902 3.033 1.00 0.00 H new ATOM 0 HD11 LEU B 7 6.244 7.501 1.607 1.00 0.00 H new ATOM 0 HD12 LEU B 7 7.070 7.237 3.161 1.00 0.00 H new ATOM 0 HD13 LEU B 7 7.686 6.460 1.683 1.00 0.00 H new ATOM 0 HD21 LEU B 7 4.917 5.698 0.577 1.00 0.00 H new ATOM 0 HD22 LEU B 7 6.305 4.585 0.615 1.00 0.00 H new ATOM 0 HD23 LEU B 7 4.767 4.116 1.378 1.00 0.00 H new ATOM 430 N ASP B 8 5.932 6.716 6.027 1.00 0.00 N ATOM 431 CA ASP B 8 4.836 7.287 6.803 1.00 0.00 C ATOM 432 C ASP B 8 4.316 8.568 6.159 1.00 0.00 C ATOM 433 O ASP B 8 3.109 8.801 6.107 1.00 0.00 O ATOM 434 CB ASP B 8 5.294 7.571 8.236 1.00 0.00 C ATOM 435 CG ASP B 8 6.465 8.533 8.288 1.00 0.00 C ATOM 436 OD1 ASP B 8 6.225 9.757 8.359 1.00 0.00 O ATOM 437 OD2 ASP B 8 7.621 8.062 8.261 1.00 0.00 O ATOM 0 H ASP B 8 6.741 7.328 5.926 1.00 0.00 H new ATOM 0 HA ASP B 8 4.024 6.561 6.824 1.00 0.00 H new ATOM 0 HB2 ASP B 8 4.462 7.985 8.805 1.00 0.00 H new ATOM 0 HB3 ASP B 8 5.575 6.634 8.717 1.00 0.00 H new ATOM 442 N ASP B 9 5.235 9.394 5.670 1.00 0.00 N ATOM 443 CA ASP B 9 4.870 10.653 5.030 1.00 0.00 C ATOM 444 C ASP B 9 4.066 10.405 3.757 1.00 0.00 C ATOM 445 O ASP B 9 4.323 9.449 3.026 1.00 0.00 O ATOM 446 CB ASP B 9 6.123 11.467 4.708 1.00 0.00 C ATOM 447 CG ASP B 9 7.094 10.708 3.827 1.00 0.00 C ATOM 448 OD1 ASP B 9 6.874 10.668 2.599 1.00 0.00 O ATOM 449 OD2 ASP B 9 8.073 10.150 4.365 1.00 0.00 O ATOM 0 H ASP B 9 6.238 9.214 5.705 1.00 0.00 H new ATOM 0 HA ASP B 9 4.248 11.218 5.724 1.00 0.00 H new ATOM 0 HB2 ASP B 9 5.834 12.393 4.211 1.00 0.00 H new ATOM 0 HB3 ASP B 9 6.621 11.745 5.637 1.00 0.00 H new ATOM 454 N ALA B 10 3.093 11.273 3.500 1.00 0.00 N ATOM 455 CA ALA B 10 2.249 11.150 2.316 1.00 0.00 C ATOM 456 C ALA B 10 2.620 12.193 1.264 1.00 0.00 C ATOM 457 O ALA B 10 1.880 12.407 0.303 1.00 0.00 O ATOM 458 CB ALA B 10 0.784 11.285 2.699 1.00 0.00 C ATOM 0 H ALA B 10 2.869 12.070 4.096 1.00 0.00 H new ATOM 0 HA ALA B 10 2.413 10.163 1.884 1.00 0.00 H new ATOM 0 HB1 ALA B 10 0.165 11.191 1.807 1.00 0.00 H new ATOM 0 HB2 ALA B 10 0.520 10.501 3.408 1.00 0.00 H new ATOM 0 HB3 ALA B 10 0.616 12.260 3.157 1.00 0.00 H new ATOM 464 N ASP B 11 3.769 12.832 1.451 1.00 0.00 N ATOM 465 CA ASP B 11 4.237 13.852 0.518 1.00 0.00 C ATOM 466 C ASP B 11 5.192 13.254 -0.510 1.00 0.00 C ATOM 467 O ASP B 11 5.165 13.624 -1.684 1.00 0.00 O ATOM 468 CB ASP B 11 4.931 14.985 1.277 1.00 0.00 C ATOM 469 CG ASP B 11 5.403 16.092 0.356 1.00 0.00 C ATOM 470 OD1 ASP B 11 4.626 17.043 0.124 1.00 0.00 O ATOM 471 OD2 ASP B 11 6.548 16.009 -0.135 1.00 0.00 O ATOM 0 H ASP B 11 4.394 12.663 2.239 1.00 0.00 H new ATOM 0 HA ASP B 11 3.371 14.252 -0.009 1.00 0.00 H new ATOM 0 HB2 ASP B 11 4.244 15.398 2.015 1.00 0.00 H new ATOM 0 HB3 ASP B 11 5.784 14.583 1.825 1.00 0.00 H new ATOM 476 N ASP B 12 6.035 12.331 -0.060 1.00 0.00 N ATOM 477 CA ASP B 12 7.000 11.683 -0.936 1.00 0.00 C ATOM 478 C ASP B 12 6.374 10.498 -1.662 1.00 0.00 C ATOM 479 O ASP B 12 6.971 9.425 -1.749 1.00 0.00 O ATOM 480 CB ASP B 12 8.212 11.220 -0.127 1.00 0.00 C ATOM 481 CG ASP B 12 8.937 12.370 0.539 1.00 0.00 C ATOM 482 OD1 ASP B 12 9.871 12.924 -0.081 1.00 0.00 O ATOM 483 OD2 ASP B 12 8.574 12.720 1.682 1.00 0.00 O ATOM 0 H ASP B 12 6.068 12.015 0.909 1.00 0.00 H new ATOM 0 HA ASP B 12 7.321 12.408 -1.684 1.00 0.00 H new ATOM 0 HB2 ASP B 12 7.888 10.510 0.634 1.00 0.00 H new ATOM 0 HB3 ASP B 12 8.903 10.691 -0.784 1.00 0.00 H new ATOM 488 N CYS B 13 5.170 10.700 -2.190 1.00 0.00 N ATOM 489 CA CYS B 13 4.467 9.643 -2.913 1.00 0.00 C ATOM 490 C CYS B 13 5.059 9.440 -4.305 1.00 0.00 C ATOM 491 O CYS B 13 4.464 8.771 -5.146 1.00 0.00 O ATOM 492 CB CYS B 13 2.978 9.970 -3.036 1.00 0.00 C ATOM 493 SG CYS B 13 2.047 9.914 -1.467 1.00 0.00 S ATOM 0 H CYS B 13 4.662 11.582 -2.132 1.00 0.00 H new ATOM 0 HA CYS B 13 4.587 8.722 -2.343 1.00 0.00 H new ATOM 0 HB2 CYS B 13 2.874 10.965 -3.468 1.00 0.00 H new ATOM 0 HB3 CYS B 13 2.524 9.269 -3.736 1.00 0.00 H new ATOM 498 N SER B 14 6.229 10.023 -4.542 1.00 0.00 N ATOM 499 CA SER B 14 6.895 9.896 -5.832 1.00 0.00 C ATOM 500 C SER B 14 7.181 8.431 -6.145 1.00 0.00 C ATOM 501 O SER B 14 7.174 7.594 -5.246 1.00 0.00 O ATOM 502 CB SER B 14 8.203 10.690 -5.830 1.00 0.00 C ATOM 503 OG SER B 14 7.955 12.084 -5.838 1.00 0.00 O ATOM 0 H SER B 14 6.735 10.587 -3.859 1.00 0.00 H new ATOM 0 HA SER B 14 6.234 10.296 -6.601 1.00 0.00 H new ATOM 0 HB2 SER B 14 8.790 10.427 -4.950 1.00 0.00 H new ATOM 0 HB3 SER B 14 8.798 10.419 -6.702 1.00 0.00 H new ATOM 0 HG SER B 14 8.807 12.568 -5.835 1.00 0.00 H new ATOM 509 N PRO B 15 7.422 8.096 -7.429 1.00 0.00 N ATOM 510 CA PRO B 15 7.720 6.720 -7.836 1.00 0.00 C ATOM 511 C PRO B 15 9.021 6.221 -7.216 1.00 0.00 C ATOM 512 O PRO B 15 10.053 6.144 -7.883 1.00 0.00 O ATOM 513 CB PRO B 15 7.846 6.806 -9.361 1.00 0.00 C ATOM 514 CG PRO B 15 8.133 8.241 -9.644 1.00 0.00 C ATOM 515 CD PRO B 15 7.419 9.021 -8.577 1.00 0.00 C ATOM 0 HA PRO B 15 6.952 6.019 -7.510 1.00 0.00 H new ATOM 0 HB2 PRO B 15 8.647 6.164 -9.728 1.00 0.00 H new ATOM 0 HB3 PRO B 15 6.928 6.483 -9.852 1.00 0.00 H new ATOM 0 HG2 PRO B 15 9.205 8.437 -9.620 1.00 0.00 H new ATOM 0 HG3 PRO B 15 7.779 8.522 -10.636 1.00 0.00 H new ATOM 0 HD2 PRO B 15 7.935 9.953 -8.345 1.00 0.00 H new ATOM 0 HD3 PRO B 15 6.406 9.284 -8.880 1.00 0.00 H new ATOM 523 N LEU B 16 8.959 5.890 -5.931 1.00 0.00 N ATOM 524 CA LEU B 16 10.129 5.407 -5.204 1.00 0.00 C ATOM 525 C LEU B 16 10.654 4.107 -5.802 1.00 0.00 C ATOM 526 O LEU B 16 9.892 3.166 -6.027 1.00 0.00 O ATOM 527 CB LEU B 16 9.782 5.200 -3.727 1.00 0.00 C ATOM 528 CG LEU B 16 10.956 4.789 -2.835 1.00 0.00 C ATOM 529 CD1 LEU B 16 12.022 5.874 -2.823 1.00 0.00 C ATOM 530 CD2 LEU B 16 10.475 4.496 -1.424 1.00 0.00 C ATOM 0 H LEU B 16 8.109 5.947 -5.370 1.00 0.00 H new ATOM 0 HA LEU B 16 10.912 6.160 -5.289 1.00 0.00 H new ATOM 0 HB2 LEU B 16 9.356 6.124 -3.337 1.00 0.00 H new ATOM 0 HB3 LEU B 16 9.007 4.437 -3.655 1.00 0.00 H new ATOM 0 HG LEU B 16 11.397 3.880 -3.243 1.00 0.00 H new ATOM 0 HD11 LEU B 16 12.849 5.565 -2.184 1.00 0.00 H new ATOM 0 HD12 LEU B 16 12.388 6.036 -3.837 1.00 0.00 H new ATOM 0 HD13 LEU B 16 11.594 6.800 -2.440 1.00 0.00 H new ATOM 0 HD21 LEU B 16 11.323 4.205 -0.804 1.00 0.00 H new ATOM 0 HD22 LEU B 16 10.008 5.388 -1.006 1.00 0.00 H new ATOM 0 HD23 LEU B 16 9.748 3.684 -1.449 1.00 0.00 H new ATOM 542 N LYS B 17 11.958 4.063 -6.056 1.00 0.00 N ATOM 543 CA LYS B 17 12.581 2.875 -6.622 1.00 0.00 C ATOM 544 C LYS B 17 12.903 1.862 -5.532 1.00 0.00 C ATOM 545 O LYS B 17 13.371 2.220 -4.453 1.00 0.00 O ATOM 546 CB LYS B 17 13.854 3.241 -7.384 1.00 0.00 C ATOM 547 CG LYS B 17 13.590 3.832 -8.758 1.00 0.00 C ATOM 548 CD LYS B 17 13.145 5.282 -8.668 1.00 0.00 C ATOM 549 CE LYS B 17 12.903 5.877 -10.046 1.00 0.00 C ATOM 550 NZ LYS B 17 11.854 5.133 -10.796 1.00 0.00 N ATOM 0 H LYS B 17 12.601 4.835 -5.879 1.00 0.00 H new ATOM 0 HA LYS B 17 11.872 2.427 -7.318 1.00 0.00 H new ATOM 0 HB2 LYS B 17 14.428 3.956 -6.794 1.00 0.00 H new ATOM 0 HB3 LYS B 17 14.471 2.349 -7.493 1.00 0.00 H new ATOM 0 HG2 LYS B 17 14.494 3.765 -9.363 1.00 0.00 H new ATOM 0 HG3 LYS B 17 12.823 3.246 -9.265 1.00 0.00 H new ATOM 0 HD2 LYS B 17 12.232 5.347 -8.077 1.00 0.00 H new ATOM 0 HD3 LYS B 17 13.904 5.865 -8.147 1.00 0.00 H new ATOM 0 HE2 LYS B 17 12.605 6.920 -9.944 1.00 0.00 H new ATOM 0 HE3 LYS B 17 13.833 5.866 -10.615 1.00 0.00 H new ATOM 0 HZ1 LYS B 17 11.550 5.695 -11.617 1.00 0.00 H new ATOM 0 HZ2 LYS B 17 12.239 4.224 -11.122 1.00 0.00 H new ATOM 0 HZ3 LYS B 17 11.039 4.960 -10.174 1.00 0.00 H new ATOM 564 N LEU B 18 12.652 0.593 -5.830 1.00 0.00 N ATOM 565 CA LEU B 18 12.903 -0.481 -4.879 1.00 0.00 C ATOM 566 C LEU B 18 13.841 -1.527 -5.471 1.00 0.00 C ATOM 567 O LEU B 18 14.368 -1.356 -6.570 1.00 0.00 O ATOM 568 CB LEU B 18 11.585 -1.142 -4.473 1.00 0.00 C ATOM 569 CG LEU B 18 10.946 -0.606 -3.198 1.00 0.00 C ATOM 570 CD1 LEU B 18 10.701 0.893 -3.296 1.00 0.00 C ATOM 571 CD2 LEU B 18 9.650 -1.342 -2.903 1.00 0.00 C ATOM 0 H LEU B 18 12.274 0.283 -6.725 1.00 0.00 H new ATOM 0 HA LEU B 18 13.378 -0.049 -3.999 1.00 0.00 H new ATOM 0 HB2 LEU B 18 10.874 -1.026 -5.291 1.00 0.00 H new ATOM 0 HB3 LEU B 18 11.758 -2.211 -4.350 1.00 0.00 H new ATOM 0 HG LEU B 18 11.639 -0.779 -2.374 1.00 0.00 H new ATOM 0 HD11 LEU B 18 10.244 1.248 -2.372 1.00 0.00 H new ATOM 0 HD12 LEU B 18 11.649 1.407 -3.453 1.00 0.00 H new ATOM 0 HD13 LEU B 18 10.034 1.099 -4.133 1.00 0.00 H new ATOM 0 HD21 LEU B 18 9.207 -0.947 -1.989 1.00 0.00 H new ATOM 0 HD22 LEU B 18 8.956 -1.203 -3.732 1.00 0.00 H new ATOM 0 HD23 LEU B 18 9.856 -2.405 -2.776 1.00 0.00 H new ATOM 583 N THR B 19 14.042 -2.612 -4.730 1.00 0.00 N ATOM 584 CA THR B 19 14.913 -3.695 -5.172 1.00 0.00 C ATOM 585 C THR B 19 14.528 -5.009 -4.501 1.00 0.00 C ATOM 586 O THR B 19 14.249 -5.046 -3.302 1.00 0.00 O ATOM 587 CB THR B 19 16.392 -3.389 -4.871 1.00 0.00 C ATOM 588 OG1 THR B 19 16.760 -2.128 -5.441 1.00 0.00 O ATOM 589 CG2 THR B 19 17.296 -4.481 -5.427 1.00 0.00 C ATOM 0 H THR B 19 13.612 -2.765 -3.818 1.00 0.00 H new ATOM 0 HA THR B 19 14.786 -3.786 -6.251 1.00 0.00 H new ATOM 0 HB THR B 19 16.516 -3.349 -3.789 1.00 0.00 H new ATOM 0 HG1 THR B 19 17.701 -1.942 -5.243 1.00 0.00 H new ATOM 0 HG21 THR B 19 18.335 -4.242 -5.202 1.00 0.00 H new ATOM 0 HG22 THR B 19 17.036 -5.436 -4.971 1.00 0.00 H new ATOM 0 HG23 THR B 19 17.165 -4.547 -6.507 1.00 0.00 H new ATOM 597 N GLN B 20 14.516 -6.085 -5.280 1.00 0.00 N ATOM 598 CA GLN B 20 14.161 -7.402 -4.759 1.00 0.00 C ATOM 599 C GLN B 20 15.126 -7.829 -3.656 1.00 0.00 C ATOM 600 O GLN B 20 16.235 -8.286 -3.932 1.00 0.00 O ATOM 601 CB GLN B 20 14.161 -8.437 -5.885 1.00 0.00 C ATOM 602 CG GLN B 20 13.089 -8.192 -6.935 1.00 0.00 C ATOM 603 CD GLN B 20 13.150 -9.191 -8.074 1.00 0.00 C ATOM 604 OE1 GLN B 20 13.560 -10.336 -7.892 1.00 0.00 O ATOM 605 NE2 GLN B 20 12.741 -8.758 -9.262 1.00 0.00 N ATOM 0 H GLN B 20 14.748 -6.072 -6.273 1.00 0.00 H new ATOM 0 HA GLN B 20 13.159 -7.340 -4.335 1.00 0.00 H new ATOM 0 HB2 GLN B 20 15.138 -8.436 -6.368 1.00 0.00 H new ATOM 0 HB3 GLN B 20 14.018 -9.429 -5.456 1.00 0.00 H new ATOM 0 HG2 GLN B 20 12.107 -8.242 -6.465 1.00 0.00 H new ATOM 0 HG3 GLN B 20 13.200 -7.184 -7.334 1.00 0.00 H new ATOM 0 HE21 GLN B 20 12.408 -7.800 -9.369 1.00 0.00 H new ATOM 0 HE22 GLN B 20 12.760 -9.384 -10.067 1.00 0.00 H new ATOM 614 N GLY B 21 14.695 -7.672 -2.407 1.00 0.00 N ATOM 615 CA GLY B 21 15.530 -8.048 -1.283 1.00 0.00 C ATOM 616 C GLY B 21 15.567 -6.986 -0.199 1.00 0.00 C ATOM 617 O GLY B 21 16.514 -6.928 0.585 1.00 0.00 O ATOM 0 H GLY B 21 13.783 -7.291 -2.155 1.00 0.00 H new ATOM 0 HA2 GLY B 21 15.162 -8.982 -0.858 1.00 0.00 H new ATOM 0 HA3 GLY B 21 16.544 -8.236 -1.636 1.00 0.00 H new ATOM 621 N GLN B 22 14.537 -6.145 -0.153 1.00 0.00 N ATOM 622 CA GLN B 22 14.461 -5.090 0.844 1.00 0.00 C ATOM 623 C GLN B 22 13.100 -5.098 1.537 1.00 0.00 C ATOM 624 O GLN B 22 12.059 -5.208 0.886 1.00 0.00 O ATOM 625 CB GLN B 22 14.729 -3.730 0.194 1.00 0.00 C ATOM 626 CG GLN B 22 13.633 -3.271 -0.758 1.00 0.00 C ATOM 627 CD GLN B 22 12.599 -2.392 -0.079 1.00 0.00 C ATOM 628 OE1 GLN B 22 11.436 -2.359 -0.477 1.00 0.00 O ATOM 629 NE2 GLN B 22 13.022 -1.675 0.952 1.00 0.00 N ATOM 0 H GLN B 22 13.746 -6.177 -0.796 1.00 0.00 H new ATOM 0 HA GLN B 22 15.225 -5.271 1.600 1.00 0.00 H new ATOM 0 HB2 GLN B 22 14.852 -2.982 0.978 1.00 0.00 H new ATOM 0 HB3 GLN B 22 15.672 -3.779 -0.351 1.00 0.00 H new ATOM 0 HG2 GLN B 22 14.083 -2.723 -1.586 1.00 0.00 H new ATOM 0 HG3 GLN B 22 13.139 -4.144 -1.184 1.00 0.00 H new ATOM 0 HE21 GLN B 22 13.996 -1.733 1.248 1.00 0.00 H new ATOM 0 HE22 GLN B 22 12.373 -1.065 1.449 1.00 0.00 H new ATOM 638 N GLU B 23 13.119 -5.000 2.862 1.00 0.00 N ATOM 639 CA GLU B 23 11.898 -5.000 3.651 1.00 0.00 C ATOM 640 C GLU B 23 11.145 -3.683 3.527 1.00 0.00 C ATOM 641 O GLU B 23 11.566 -2.768 2.821 1.00 0.00 O ATOM 642 CB GLU B 23 12.223 -5.250 5.124 1.00 0.00 C ATOM 643 CG GLU B 23 11.662 -6.550 5.657 1.00 0.00 C ATOM 644 CD GLU B 23 12.027 -6.796 7.108 1.00 0.00 C ATOM 645 OE1 GLU B 23 13.098 -7.389 7.357 1.00 0.00 O ATOM 646 OE2 GLU B 23 11.244 -6.397 7.994 1.00 0.00 O ATOM 0 H GLU B 23 13.974 -4.919 3.413 1.00 0.00 H new ATOM 0 HA GLU B 23 11.264 -5.798 3.265 1.00 0.00 H new ATOM 0 HB2 GLU B 23 13.305 -5.251 5.253 1.00 0.00 H new ATOM 0 HB3 GLU B 23 11.832 -4.424 5.719 1.00 0.00 H new ATOM 0 HG2 GLU B 23 10.577 -6.540 5.557 1.00 0.00 H new ATOM 0 HG3 GLU B 23 12.031 -7.376 5.049 1.00 0.00 H new ATOM 653 N LEU B 24 10.025 -3.610 4.228 1.00 0.00 N ATOM 654 CA LEU B 24 9.190 -2.421 4.244 1.00 0.00 C ATOM 655 C LEU B 24 8.262 -2.462 5.451 1.00 0.00 C ATOM 656 O LEU B 24 7.100 -2.856 5.350 1.00 0.00 O ATOM 657 CB LEU B 24 8.377 -2.297 2.952 1.00 0.00 C ATOM 658 CG LEU B 24 7.362 -1.151 2.938 1.00 0.00 C ATOM 659 CD1 LEU B 24 8.036 0.168 3.287 1.00 0.00 C ATOM 660 CD2 LEU B 24 6.675 -1.065 1.585 1.00 0.00 C ATOM 0 H LEU B 24 9.669 -4.374 4.802 1.00 0.00 H new ATOM 0 HA LEU B 24 9.837 -1.547 4.315 1.00 0.00 H new ATOM 0 HB2 LEU B 24 9.066 -2.164 2.118 1.00 0.00 H new ATOM 0 HB3 LEU B 24 7.848 -3.234 2.781 1.00 0.00 H new ATOM 0 HG LEU B 24 6.603 -1.354 3.694 1.00 0.00 H new ATOM 0 HD11 LEU B 24 7.297 0.969 3.271 1.00 0.00 H new ATOM 0 HD12 LEU B 24 8.476 0.100 4.282 1.00 0.00 H new ATOM 0 HD13 LEU B 24 8.818 0.381 2.558 1.00 0.00 H new ATOM 0 HD21 LEU B 24 5.957 -0.245 1.593 1.00 0.00 H new ATOM 0 HD22 LEU B 24 7.420 -0.887 0.809 1.00 0.00 H new ATOM 0 HD23 LEU B 24 6.155 -2.001 1.381 1.00 0.00 H new ATOM 672 N VAL B 25 8.798 -2.064 6.593 1.00 0.00 N ATOM 673 CA VAL B 25 8.045 -2.058 7.837 1.00 0.00 C ATOM 674 C VAL B 25 7.440 -0.686 8.103 1.00 0.00 C ATOM 675 O VAL B 25 8.045 0.149 8.774 1.00 0.00 O ATOM 676 CB VAL B 25 8.942 -2.459 9.023 1.00 0.00 C ATOM 677 CG1 VAL B 25 8.110 -2.673 10.278 1.00 0.00 C ATOM 678 CG2 VAL B 25 9.751 -3.705 8.683 1.00 0.00 C ATOM 0 H VAL B 25 9.760 -1.738 6.684 1.00 0.00 H new ATOM 0 HA VAL B 25 7.241 -2.786 7.735 1.00 0.00 H new ATOM 0 HB VAL B 25 9.640 -1.645 9.219 1.00 0.00 H new ATOM 0 HG11 VAL B 25 8.763 -2.956 11.104 1.00 0.00 H new ATOM 0 HG12 VAL B 25 7.586 -1.751 10.529 1.00 0.00 H new ATOM 0 HG13 VAL B 25 7.384 -3.466 10.102 1.00 0.00 H new ATOM 0 HG21 VAL B 25 10.379 -3.974 9.532 1.00 0.00 H new ATOM 0 HG22 VAL B 25 9.073 -4.528 8.458 1.00 0.00 H new ATOM 0 HG23 VAL B 25 10.380 -3.505 7.816 1.00 0.00 H new ATOM 688 N LEU B 26 6.245 -0.461 7.570 1.00 0.00 N ATOM 689 CA LEU B 26 5.556 0.813 7.741 1.00 0.00 C ATOM 690 C LEU B 26 5.357 1.140 9.217 1.00 0.00 C ATOM 691 O LEU B 26 5.414 0.259 10.074 1.00 0.00 O ATOM 692 CB LEU B 26 4.203 0.787 7.029 1.00 0.00 C ATOM 693 CG LEU B 26 4.271 0.582 5.516 1.00 0.00 C ATOM 694 CD1 LEU B 26 2.883 0.320 4.951 1.00 0.00 C ATOM 695 CD2 LEU B 26 4.903 1.790 4.846 1.00 0.00 C ATOM 0 H LEU B 26 5.732 -1.146 7.015 1.00 0.00 H new ATOM 0 HA LEU B 26 6.180 1.590 7.299 1.00 0.00 H new ATOM 0 HB2 LEU B 26 3.598 -0.010 7.461 1.00 0.00 H new ATOM 0 HB3 LEU B 26 3.686 1.725 7.230 1.00 0.00 H new ATOM 0 HG LEU B 26 4.893 -0.289 5.312 1.00 0.00 H new ATOM 0 HD11 LEU B 26 2.950 0.176 3.873 1.00 0.00 H new ATOM 0 HD12 LEU B 26 2.466 -0.576 5.411 1.00 0.00 H new ATOM 0 HD13 LEU B 26 2.237 1.172 5.164 1.00 0.00 H new ATOM 0 HD21 LEU B 26 4.944 1.629 3.769 1.00 0.00 H new ATOM 0 HD22 LEU B 26 4.306 2.677 5.057 1.00 0.00 H new ATOM 0 HD23 LEU B 26 5.913 1.932 5.230 1.00 0.00 H new ATOM 707 N THR B 27 5.117 2.417 9.499 1.00 0.00 N ATOM 708 CA THR B 27 4.904 2.873 10.868 1.00 0.00 C ATOM 709 C THR B 27 4.027 4.119 10.892 1.00 0.00 C ATOM 710 O THR B 27 4.460 5.204 10.501 1.00 0.00 O ATOM 711 CB THR B 27 6.239 3.180 11.573 1.00 0.00 C ATOM 712 OG1 THR B 27 7.088 2.028 11.541 1.00 0.00 O ATOM 713 CG2 THR B 27 6.006 3.601 13.017 1.00 0.00 C ATOM 0 H THR B 27 5.065 3.155 8.797 1.00 0.00 H new ATOM 0 HA THR B 27 4.403 2.065 11.401 1.00 0.00 H new ATOM 0 HB THR B 27 6.721 4.002 11.043 1.00 0.00 H new ATOM 0 HG1 THR B 27 7.935 2.233 11.990 1.00 0.00 H new ATOM 0 HG21 THR B 27 6.963 3.812 13.493 1.00 0.00 H new ATOM 0 HG22 THR B 27 5.384 4.496 13.039 1.00 0.00 H new ATOM 0 HG23 THR B 27 5.503 2.797 13.554 1.00 0.00 H new ATOM 721 N LEU B 28 2.791 3.959 11.354 1.00 0.00 N ATOM 722 CA LEU B 28 1.850 5.072 11.425 1.00 0.00 C ATOM 723 C LEU B 28 1.182 5.137 12.797 1.00 0.00 C ATOM 724 O LEU B 28 0.972 4.109 13.442 1.00 0.00 O ATOM 725 CB LEU B 28 0.789 4.935 10.332 1.00 0.00 C ATOM 726 CG LEU B 28 1.333 4.903 8.900 1.00 0.00 C ATOM 727 CD1 LEU B 28 0.221 4.587 7.913 1.00 0.00 C ATOM 728 CD2 LEU B 28 1.994 6.228 8.552 1.00 0.00 C ATOM 0 H LEU B 28 2.417 3.069 11.685 1.00 0.00 H new ATOM 0 HA LEU B 28 2.405 5.997 11.271 1.00 0.00 H new ATOM 0 HB2 LEU B 28 0.222 4.021 10.510 1.00 0.00 H new ATOM 0 HB3 LEU B 28 0.089 5.766 10.420 1.00 0.00 H new ATOM 0 HG LEU B 28 2.084 4.115 8.835 1.00 0.00 H new ATOM 0 HD11 LEU B 28 0.627 4.569 6.901 1.00 0.00 H new ATOM 0 HD12 LEU B 28 -0.209 3.614 8.149 1.00 0.00 H new ATOM 0 HD13 LEU B 28 -0.553 5.352 7.980 1.00 0.00 H new ATOM 0 HD21 LEU B 28 2.375 6.188 7.531 1.00 0.00 H new ATOM 0 HD22 LEU B 28 1.263 7.032 8.635 1.00 0.00 H new ATOM 0 HD23 LEU B 28 2.819 6.415 9.240 1.00 0.00 H new ATOM 740 N PRO B 29 0.838 6.353 13.264 1.00 0.00 N ATOM 741 CA PRO B 29 0.191 6.542 14.566 1.00 0.00 C ATOM 742 C PRO B 29 -1.280 6.138 14.547 1.00 0.00 C ATOM 743 O PRO B 29 -2.005 6.436 13.598 1.00 0.00 O ATOM 744 CB PRO B 29 0.328 8.045 14.804 1.00 0.00 C ATOM 745 CG PRO B 29 0.354 8.638 13.439 1.00 0.00 C ATOM 746 CD PRO B 29 1.056 7.635 12.565 1.00 0.00 C ATOM 0 HA PRO B 29 0.643 5.926 15.343 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -0.506 8.432 15.389 1.00 0.00 H new ATOM 0 HB3 PRO B 29 1.239 8.278 15.355 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -0.656 8.831 13.078 1.00 0.00 H new ATOM 0 HG3 PRO B 29 0.880 9.592 13.438 1.00 0.00 H new ATOM 0 HD2 PRO B 29 0.639 7.619 11.558 1.00 0.00 H new ATOM 0 HD3 PRO B 29 2.117 7.862 12.466 1.00 0.00 H new ATOM 754 N SER B 30 -1.712 5.457 15.604 1.00 0.00 N ATOM 755 CA SER B 30 -3.097 5.009 15.714 1.00 0.00 C ATOM 756 C SER B 30 -3.458 4.714 17.165 1.00 0.00 C ATOM 757 O SER B 30 -2.581 4.485 17.998 1.00 0.00 O ATOM 758 CB SER B 30 -3.324 3.764 14.854 1.00 0.00 C ATOM 759 OG SER B 30 -2.455 2.712 15.238 1.00 0.00 O ATOM 0 H SER B 30 -1.123 5.203 16.397 1.00 0.00 H new ATOM 0 HA SER B 30 -3.742 5.811 15.354 1.00 0.00 H new ATOM 0 HB2 SER B 30 -4.359 3.437 14.949 1.00 0.00 H new ATOM 0 HB3 SER B 30 -3.162 4.009 13.804 1.00 0.00 H new ATOM 0 HG SER B 30 -2.622 1.928 14.674 1.00 0.00 H new ATOM 765 N ASN B 31 -4.753 4.718 17.461 1.00 0.00 N ATOM 766 CA ASN B 31 -5.232 4.451 18.811 1.00 0.00 C ATOM 767 C ASN B 31 -6.252 3.315 18.816 1.00 0.00 C ATOM 768 O ASN B 31 -7.411 3.515 18.451 1.00 0.00 O ATOM 769 CB ASN B 31 -5.857 5.712 19.411 1.00 0.00 C ATOM 770 CG ASN B 31 -4.876 6.864 19.492 1.00 0.00 C ATOM 771 OD1 ASN B 31 -4.756 7.659 18.560 1.00 0.00 O ATOM 772 ND2 ASN B 31 -4.166 6.961 20.611 1.00 0.00 N ATOM 0 H ASN B 31 -5.491 4.904 16.782 1.00 0.00 H new ATOM 0 HA ASN B 31 -4.378 4.150 19.418 1.00 0.00 H new ATOM 0 HB2 ASN B 31 -6.714 6.011 18.808 1.00 0.00 H new ATOM 0 HB3 ASN B 31 -6.232 5.488 20.409 1.00 0.00 H new ATOM 0 HD21 ASN B 31 -3.490 7.716 20.722 1.00 0.00 H new ATOM 0 HD22 ASN B 31 -4.297 6.280 21.359 1.00 0.00 H new ATOM 779 N PRO B 32 -5.836 2.099 19.221 1.00 0.00 N ATOM 780 CA PRO B 32 -6.729 0.934 19.266 1.00 0.00 C ATOM 781 C PRO B 32 -7.738 1.019 20.407 1.00 0.00 C ATOM 782 O PRO B 32 -8.534 0.102 20.613 1.00 0.00 O ATOM 783 CB PRO B 32 -5.769 -0.232 19.489 1.00 0.00 C ATOM 784 CG PRO B 32 -4.635 0.374 20.233 1.00 0.00 C ATOM 785 CD PRO B 32 -4.471 1.755 19.666 1.00 0.00 C ATOM 0 HA PRO B 32 -7.332 0.845 18.362 1.00 0.00 H new ATOM 0 HB2 PRO B 32 -6.239 -1.032 20.060 1.00 0.00 H new ATOM 0 HB3 PRO B 32 -5.441 -0.665 18.544 1.00 0.00 H new ATOM 0 HG2 PRO B 32 -4.843 0.412 21.302 1.00 0.00 H new ATOM 0 HG3 PRO B 32 -3.725 -0.212 20.106 1.00 0.00 H new ATOM 0 HD2 PRO B 32 -4.102 2.457 20.414 1.00 0.00 H new ATOM 0 HD3 PRO B 32 -3.762 1.769 18.838 1.00 0.00 H new ATOM 793 N THR B 33 -7.701 2.124 21.144 1.00 0.00 N ATOM 794 CA THR B 33 -8.614 2.327 22.263 1.00 0.00 C ATOM 795 C THR B 33 -9.876 3.058 21.818 1.00 0.00 C ATOM 796 O THR B 33 -10.818 3.218 22.595 1.00 0.00 O ATOM 797 CB THR B 33 -7.943 3.129 23.395 1.00 0.00 C ATOM 798 OG1 THR B 33 -8.870 3.333 24.469 1.00 0.00 O ATOM 799 CG2 THR B 33 -7.446 4.474 22.886 1.00 0.00 C ATOM 0 H THR B 33 -7.049 2.892 20.987 1.00 0.00 H new ATOM 0 HA THR B 33 -8.883 1.339 22.636 1.00 0.00 H new ATOM 0 HB THR B 33 -7.089 2.557 23.757 1.00 0.00 H new ATOM 0 HG1 THR B 33 -9.777 3.413 24.107 1.00 0.00 H new ATOM 0 HG21 THR B 33 -6.976 5.021 23.703 1.00 0.00 H new ATOM 0 HG22 THR B 33 -6.718 4.316 22.090 1.00 0.00 H new ATOM 0 HG23 THR B 33 -8.287 5.050 22.499 1.00 0.00 H new ATOM 807 N THR B 34 -9.891 3.496 20.563 1.00 0.00 N ATOM 808 CA THR B 34 -11.038 4.208 20.016 1.00 0.00 C ATOM 809 C THR B 34 -11.900 3.292 19.154 1.00 0.00 C ATOM 810 O THR B 34 -13.045 2.995 19.502 1.00 0.00 O ATOM 811 CB THR B 34 -10.599 5.423 19.176 1.00 0.00 C ATOM 812 OG1 THR B 34 -9.716 5.004 18.127 1.00 0.00 O ATOM 813 CG2 THR B 34 -9.899 6.458 20.046 1.00 0.00 C ATOM 0 H THR B 34 -9.121 3.370 19.906 1.00 0.00 H new ATOM 0 HA THR B 34 -11.625 4.556 20.866 1.00 0.00 H new ATOM 0 HB THR B 34 -11.491 5.875 18.742 1.00 0.00 H new ATOM 0 HG1 THR B 34 -8.904 4.617 18.517 1.00 0.00 H new ATOM 0 HG21 THR B 34 -9.598 7.306 19.431 1.00 0.00 H new ATOM 0 HG22 THR B 34 -10.580 6.798 20.826 1.00 0.00 H new ATOM 0 HG23 THR B 34 -9.017 6.011 20.504 1.00 0.00 H new ATOM 821 N GLY B 35 -11.346 2.846 18.030 1.00 0.00 N ATOM 822 CA GLY B 35 -12.081 1.972 17.137 1.00 0.00 C ATOM 823 C GLY B 35 -11.727 2.215 15.686 1.00 0.00 C ATOM 824 O GLY B 35 -11.808 1.306 14.858 1.00 0.00 O ATOM 0 H GLY B 35 -10.401 3.075 17.723 1.00 0.00 H new ATOM 0 HA2 GLY B 35 -11.871 0.933 17.392 1.00 0.00 H new ATOM 0 HA3 GLY B 35 -13.151 2.125 17.280 1.00 0.00 H new ATOM 828 N PHE B 36 -11.334 3.445 15.379 1.00 0.00 N ATOM 829 CA PHE B 36 -10.962 3.816 14.025 1.00 0.00 C ATOM 830 C PHE B 36 -9.507 3.461 13.745 1.00 0.00 C ATOM 831 O PHE B 36 -8.590 4.128 14.224 1.00 0.00 O ATOM 832 CB PHE B 36 -11.181 5.311 13.812 1.00 0.00 C ATOM 833 CG PHE B 36 -12.626 5.720 13.850 1.00 0.00 C ATOM 834 CD1 PHE B 36 -13.284 5.880 15.059 1.00 0.00 C ATOM 835 CD2 PHE B 36 -13.326 5.948 12.676 1.00 0.00 C ATOM 836 CE1 PHE B 36 -14.613 6.255 15.097 1.00 0.00 C ATOM 837 CE2 PHE B 36 -14.656 6.325 12.707 1.00 0.00 C ATOM 838 CZ PHE B 36 -15.299 6.479 13.919 1.00 0.00 C ATOM 0 H PHE B 36 -11.265 4.205 16.056 1.00 0.00 H new ATOM 0 HA PHE B 36 -11.593 3.258 13.333 1.00 0.00 H new ATOM 0 HB2 PHE B 36 -10.636 5.862 14.578 1.00 0.00 H new ATOM 0 HB3 PHE B 36 -10.756 5.598 12.850 1.00 0.00 H new ATOM 0 HD1 PHE B 36 -12.751 5.709 15.983 1.00 0.00 H new ATOM 0 HD2 PHE B 36 -12.827 5.830 11.726 1.00 0.00 H new ATOM 0 HE1 PHE B 36 -15.115 6.373 16.046 1.00 0.00 H new ATOM 0 HE2 PHE B 36 -15.191 6.499 11.785 1.00 0.00 H new ATOM 0 HZ PHE B 36 -16.337 6.774 13.946 1.00 0.00 H new ATOM 848 N ARG B 37 -9.307 2.401 12.976 1.00 0.00 N ATOM 849 CA ARG B 37 -7.968 1.952 12.613 1.00 0.00 C ATOM 850 C ARG B 37 -7.628 2.349 11.184 1.00 0.00 C ATOM 851 O ARG B 37 -8.279 3.215 10.596 1.00 0.00 O ATOM 852 CB ARG B 37 -7.853 0.434 12.749 1.00 0.00 C ATOM 853 CG ARG B 37 -7.581 -0.040 14.168 1.00 0.00 C ATOM 854 CD ARG B 37 -8.788 0.166 15.070 1.00 0.00 C ATOM 855 NE ARG B 37 -8.559 -0.353 16.416 1.00 0.00 N ATOM 856 CZ ARG B 37 -9.513 -0.895 17.169 1.00 0.00 C ATOM 857 NH1 ARG B 37 -10.753 -0.989 16.710 1.00 0.00 N ATOM 858 NH2 ARG B 37 -9.223 -1.344 18.382 1.00 0.00 N ATOM 0 H ARG B 37 -10.059 1.832 12.588 1.00 0.00 H new ATOM 0 HA ARG B 37 -7.266 2.433 13.294 1.00 0.00 H new ATOM 0 HB2 ARG B 37 -8.777 -0.023 12.395 1.00 0.00 H new ATOM 0 HB3 ARG B 37 -7.053 0.081 12.099 1.00 0.00 H new ATOM 0 HG2 ARG B 37 -7.313 -1.096 14.154 1.00 0.00 H new ATOM 0 HG3 ARG B 37 -6.726 0.500 14.575 1.00 0.00 H new ATOM 0 HD2 ARG B 37 -9.022 1.229 15.126 1.00 0.00 H new ATOM 0 HD3 ARG B 37 -9.656 -0.328 14.633 1.00 0.00 H new ATOM 0 HE ARG B 37 -7.616 -0.297 16.800 1.00 0.00 H new ATOM 0 HH11 ARG B 37 -10.979 -0.645 15.777 1.00 0.00 H new ATOM 0 HH12 ARG B 37 -11.481 -1.405 17.290 1.00 0.00 H new ATOM 0 HH21 ARG B 37 -8.269 -1.274 18.737 1.00 0.00 H new ATOM 0 HH22 ARG B 37 -9.953 -1.760 18.960 1.00 0.00 H new ATOM 872 N TRP B 38 -6.602 1.711 10.630 1.00 0.00 N ATOM 873 CA TRP B 38 -6.178 1.988 9.265 1.00 0.00 C ATOM 874 C TRP B 38 -6.510 0.815 8.351 1.00 0.00 C ATOM 875 O TRP B 38 -5.877 -0.239 8.420 1.00 0.00 O ATOM 876 CB TRP B 38 -4.677 2.287 9.215 1.00 0.00 C ATOM 877 CG TRP B 38 -4.297 3.560 9.905 1.00 0.00 C ATOM 878 CD1 TRP B 38 -3.981 3.716 11.224 1.00 0.00 C ATOM 879 CD2 TRP B 38 -4.190 4.861 9.310 1.00 0.00 C ATOM 880 NE1 TRP B 38 -3.686 5.032 11.489 1.00 0.00 N ATOM 881 CE2 TRP B 38 -3.807 5.754 10.330 1.00 0.00 C ATOM 882 CE3 TRP B 38 -4.380 5.356 8.017 1.00 0.00 C ATOM 883 CZ2 TRP B 38 -3.613 7.114 10.093 1.00 0.00 C ATOM 884 CZ3 TRP B 38 -4.185 6.706 7.785 1.00 0.00 C ATOM 885 CH2 TRP B 38 -3.805 7.571 8.818 1.00 0.00 C ATOM 0 H TRP B 38 -6.049 0.998 11.107 1.00 0.00 H new ATOM 0 HA TRP B 38 -6.719 2.867 8.915 1.00 0.00 H new ATOM 0 HB2 TRP B 38 -4.135 1.460 9.672 1.00 0.00 H new ATOM 0 HB3 TRP B 38 -4.360 2.339 8.173 1.00 0.00 H new ATOM 0 HD1 TRP B 38 -3.965 2.920 11.954 1.00 0.00 H new ATOM 0 HE1 TRP B 38 -3.421 5.409 12.399 1.00 0.00 H new ATOM 0 HE3 TRP B 38 -4.674 4.697 7.214 1.00 0.00 H new ATOM 0 HZ2 TRP B 38 -3.321 7.784 10.888 1.00 0.00 H new ATOM 0 HZ3 TRP B 38 -4.328 7.099 6.789 1.00 0.00 H new ATOM 0 HH2 TRP B 38 -3.661 8.620 8.604 1.00 0.00 H new ATOM 896 N GLU B 39 -7.507 1.003 7.493 1.00 0.00 N ATOM 897 CA GLU B 39 -7.927 -0.041 6.563 1.00 0.00 C ATOM 898 C GLU B 39 -6.920 -0.200 5.430 1.00 0.00 C ATOM 899 O GLU B 39 -6.478 0.784 4.834 1.00 0.00 O ATOM 900 CB GLU B 39 -9.312 0.277 5.996 1.00 0.00 C ATOM 901 CG GLU B 39 -9.831 -0.778 5.030 1.00 0.00 C ATOM 902 CD GLU B 39 -9.976 -2.142 5.678 1.00 0.00 C ATOM 903 OE1 GLU B 39 -9.002 -2.921 5.645 1.00 0.00 O ATOM 904 OE2 GLU B 39 -11.066 -2.430 6.217 1.00 0.00 O ATOM 0 H GLU B 39 -8.040 1.869 7.422 1.00 0.00 H new ATOM 0 HA GLU B 39 -7.977 -0.982 7.111 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -10.018 0.382 6.820 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -9.274 1.239 5.485 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -10.797 -0.462 4.638 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -9.152 -0.854 4.181 1.00 0.00 H new ATOM 911 N LEU B 40 -6.562 -1.446 5.137 1.00 0.00 N ATOM 912 CA LEU B 40 -5.608 -1.745 4.076 1.00 0.00 C ATOM 913 C LEU B 40 -6.327 -1.942 2.745 1.00 0.00 C ATOM 914 O LEU B 40 -7.025 -2.937 2.546 1.00 0.00 O ATOM 915 CB LEU B 40 -4.803 -2.997 4.431 1.00 0.00 C ATOM 916 CG LEU B 40 -3.716 -3.384 3.425 1.00 0.00 C ATOM 917 CD1 LEU B 40 -2.688 -2.271 3.291 1.00 0.00 C ATOM 918 CD2 LEU B 40 -3.045 -4.683 3.848 1.00 0.00 C ATOM 0 H LEU B 40 -6.921 -2.268 5.622 1.00 0.00 H new ATOM 0 HA LEU B 40 -4.926 -0.901 3.977 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -4.336 -2.845 5.404 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -5.493 -3.835 4.536 1.00 0.00 H new ATOM 0 HG LEU B 40 -4.183 -3.535 2.452 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -1.924 -2.566 2.571 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -3.180 -1.361 2.946 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -2.223 -2.087 4.259 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -2.274 -4.947 3.124 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -2.591 -4.555 4.831 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -3.788 -5.479 3.893 1.00 0.00 H new ATOM 930 N ARG B 41 -6.152 -0.989 1.835 1.00 0.00 N ATOM 931 CA ARG B 41 -6.788 -1.056 0.522 1.00 0.00 C ATOM 932 C ARG B 41 -5.857 -1.690 -0.507 1.00 0.00 C ATOM 933 O ARG B 41 -6.053 -2.835 -0.915 1.00 0.00 O ATOM 934 CB ARG B 41 -7.201 0.342 0.060 1.00 0.00 C ATOM 935 CG ARG B 41 -8.166 1.039 1.006 1.00 0.00 C ATOM 936 CD ARG B 41 -9.490 0.298 1.105 1.00 0.00 C ATOM 937 NE ARG B 41 -10.158 0.191 -0.189 1.00 0.00 N ATOM 938 CZ ARG B 41 -11.305 -0.453 -0.376 1.00 0.00 C ATOM 939 NH1 ARG B 41 -11.911 -1.046 0.643 1.00 0.00 N ATOM 940 NH2 ARG B 41 -11.850 -0.503 -1.585 1.00 0.00 N ATOM 0 H ARG B 41 -5.575 -0.161 1.982 1.00 0.00 H new ATOM 0 HA ARG B 41 -7.677 -1.680 0.611 1.00 0.00 H new ATOM 0 HB2 ARG B 41 -6.308 0.957 -0.051 1.00 0.00 H new ATOM 0 HB3 ARG B 41 -7.662 0.268 -0.925 1.00 0.00 H new ATOM 0 HG2 ARG B 41 -7.716 1.113 1.996 1.00 0.00 H new ATOM 0 HG3 ARG B 41 -8.344 2.057 0.660 1.00 0.00 H new ATOM 0 HD2 ARG B 41 -9.317 -0.700 1.507 1.00 0.00 H new ATOM 0 HD3 ARG B 41 -10.143 0.816 1.808 1.00 0.00 H new ATOM 0 HE ARG B 41 -9.719 0.636 -0.995 1.00 0.00 H new ATOM 0 HH11 ARG B 41 -11.497 -1.009 1.574 1.00 0.00 H new ATOM 0 HH12 ARG B 41 -12.791 -1.539 0.496 1.00 0.00 H new ATOM 0 HH21 ARG B 41 -11.388 -0.047 -2.372 1.00 0.00 H new ATOM 0 HH22 ARG B 41 -12.731 -0.998 -1.727 1.00 0.00 H new ATOM 954 N ASN B 42 -4.843 -0.937 -0.925 1.00 0.00 N ATOM 955 CA ASN B 42 -3.883 -1.422 -1.909 1.00 0.00 C ATOM 956 C ASN B 42 -2.520 -1.672 -1.262 1.00 0.00 C ATOM 957 O ASN B 42 -1.696 -0.762 -1.169 1.00 0.00 O ATOM 958 CB ASN B 42 -3.743 -0.414 -3.053 1.00 0.00 C ATOM 959 CG ASN B 42 -2.989 -0.983 -4.241 1.00 0.00 C ATOM 960 OD1 ASN B 42 -2.160 -1.881 -4.095 1.00 0.00 O ATOM 961 ND2 ASN B 42 -3.269 -0.454 -5.427 1.00 0.00 N ATOM 0 H ASN B 42 -4.666 0.012 -0.596 1.00 0.00 H new ATOM 0 HA ASN B 42 -4.253 -2.366 -2.309 1.00 0.00 H new ATOM 0 HB2 ASN B 42 -4.734 -0.095 -3.375 1.00 0.00 H new ATOM 0 HB3 ASN B 42 -3.225 0.473 -2.689 1.00 0.00 H new ATOM 0 HD21 ASN B 42 -2.789 -0.791 -6.262 1.00 0.00 H new ATOM 0 HD22 ASN B 42 -3.964 0.289 -5.503 1.00 0.00 H new ATOM 968 N PRO B 43 -2.264 -2.911 -0.801 1.00 0.00 N ATOM 969 CA PRO B 43 -0.995 -3.267 -0.161 1.00 0.00 C ATOM 970 C PRO B 43 0.120 -3.522 -1.169 1.00 0.00 C ATOM 971 O PRO B 43 1.168 -4.069 -0.820 1.00 0.00 O ATOM 972 CB PRO B 43 -1.339 -4.551 0.587 1.00 0.00 C ATOM 973 CG PRO B 43 -2.410 -5.185 -0.233 1.00 0.00 C ATOM 974 CD PRO B 43 -3.189 -4.059 -0.861 1.00 0.00 C ATOM 0 HA PRO B 43 -0.618 -2.466 0.475 1.00 0.00 H new ATOM 0 HB2 PRO B 43 -0.470 -5.203 0.677 1.00 0.00 H new ATOM 0 HB3 PRO B 43 -1.686 -4.340 1.599 1.00 0.00 H new ATOM 0 HG2 PRO B 43 -1.981 -5.834 -0.997 1.00 0.00 H new ATOM 0 HG3 PRO B 43 -3.057 -5.806 0.387 1.00 0.00 H new ATOM 0 HD2 PRO B 43 -3.471 -4.292 -1.888 1.00 0.00 H new ATOM 0 HD3 PRO B 43 -4.111 -3.858 -0.315 1.00 0.00 H new ATOM 982 N ALA B 44 -0.110 -3.126 -2.417 1.00 0.00 N ATOM 983 CA ALA B 44 0.877 -3.315 -3.475 1.00 0.00 C ATOM 984 C ALA B 44 1.262 -4.786 -3.607 1.00 0.00 C ATOM 985 O ALA B 44 2.374 -5.110 -4.022 1.00 0.00 O ATOM 986 CB ALA B 44 2.112 -2.467 -3.206 1.00 0.00 C ATOM 0 H ALA B 44 -0.971 -2.672 -2.721 1.00 0.00 H new ATOM 0 HA ALA B 44 0.430 -2.995 -4.416 1.00 0.00 H new ATOM 0 HB1 ALA B 44 2.839 -2.619 -4.004 1.00 0.00 H new ATOM 0 HB2 ALA B 44 1.830 -1.415 -3.168 1.00 0.00 H new ATOM 0 HB3 ALA B 44 2.553 -2.759 -2.253 1.00 0.00 H new ATOM 992 N ALA B 45 0.331 -5.668 -3.258 1.00 0.00 N ATOM 993 CA ALA B 45 0.568 -7.104 -3.337 1.00 0.00 C ATOM 994 C ALA B 45 0.873 -7.540 -4.765 1.00 0.00 C ATOM 995 O ALA B 45 1.252 -8.685 -5.008 1.00 0.00 O ATOM 996 CB ALA B 45 -0.633 -7.866 -2.796 1.00 0.00 C ATOM 0 H ALA B 45 -0.596 -5.412 -2.917 1.00 0.00 H new ATOM 0 HA ALA B 45 1.440 -7.334 -2.725 1.00 0.00 H new ATOM 0 HB1 ALA B 45 -0.443 -8.937 -2.861 1.00 0.00 H new ATOM 0 HB2 ALA B 45 -0.801 -7.589 -1.755 1.00 0.00 H new ATOM 0 HB3 ALA B 45 -1.516 -7.618 -3.384 1.00 0.00 H new ATOM 1002 N SER B 46 0.704 -6.617 -5.708 1.00 0.00 N ATOM 1003 CA SER B 46 0.960 -6.905 -7.115 1.00 0.00 C ATOM 1004 C SER B 46 2.430 -7.235 -7.352 1.00 0.00 C ATOM 1005 O SER B 46 2.760 -8.066 -8.199 1.00 0.00 O ATOM 1006 CB SER B 46 0.549 -5.714 -7.982 1.00 0.00 C ATOM 1007 OG SER B 46 0.788 -5.972 -9.353 1.00 0.00 O ATOM 0 H SER B 46 0.391 -5.664 -5.523 1.00 0.00 H new ATOM 0 HA SER B 46 0.365 -7.775 -7.392 1.00 0.00 H new ATOM 0 HB2 SER B 46 -0.508 -5.497 -7.829 1.00 0.00 H new ATOM 0 HB3 SER B 46 1.104 -4.828 -7.674 1.00 0.00 H new ATOM 0 HG SER B 46 0.515 -5.195 -9.884 1.00 0.00 H new ATOM 1013 N VAL B 47 3.315 -6.583 -6.598 1.00 0.00 N ATOM 1014 CA VAL B 47 4.748 -6.815 -6.740 1.00 0.00 C ATOM 1015 C VAL B 47 5.401 -7.135 -5.396 1.00 0.00 C ATOM 1016 O VAL B 47 6.312 -7.961 -5.321 1.00 0.00 O ATOM 1017 CB VAL B 47 5.457 -5.601 -7.368 1.00 0.00 C ATOM 1018 CG1 VAL B 47 4.939 -5.351 -8.777 1.00 0.00 C ATOM 1019 CG2 VAL B 47 5.276 -4.364 -6.503 1.00 0.00 C ATOM 0 H VAL B 47 3.065 -5.895 -5.888 1.00 0.00 H new ATOM 0 HA VAL B 47 4.858 -7.674 -7.402 1.00 0.00 H new ATOM 0 HB VAL B 47 6.523 -5.821 -7.427 1.00 0.00 H new ATOM 0 HG11 VAL B 47 5.451 -4.489 -9.205 1.00 0.00 H new ATOM 0 HG12 VAL B 47 5.127 -6.229 -9.395 1.00 0.00 H new ATOM 0 HG13 VAL B 47 3.867 -5.155 -8.741 1.00 0.00 H new ATOM 0 HG21 VAL B 47 5.785 -3.519 -6.966 1.00 0.00 H new ATOM 0 HG22 VAL B 47 4.214 -4.140 -6.407 1.00 0.00 H new ATOM 0 HG23 VAL B 47 5.699 -4.546 -5.515 1.00 0.00 H new ATOM 1029 N LEU B 48 4.933 -6.480 -4.338 1.00 0.00 N ATOM 1030 CA LEU B 48 5.479 -6.701 -3.002 1.00 0.00 C ATOM 1031 C LEU B 48 4.748 -7.840 -2.299 1.00 0.00 C ATOM 1032 O LEU B 48 3.518 -7.902 -2.314 1.00 0.00 O ATOM 1033 CB LEU B 48 5.380 -5.424 -2.163 1.00 0.00 C ATOM 1034 CG LEU B 48 5.724 -4.128 -2.906 1.00 0.00 C ATOM 1035 CD1 LEU B 48 5.448 -2.921 -2.022 1.00 0.00 C ATOM 1036 CD2 LEU B 48 7.177 -4.140 -3.356 1.00 0.00 C ATOM 0 H LEU B 48 4.179 -5.794 -4.379 1.00 0.00 H new ATOM 0 HA LEU B 48 6.529 -6.974 -3.109 1.00 0.00 H new ATOM 0 HB2 LEU B 48 4.366 -5.342 -1.773 1.00 0.00 H new ATOM 0 HB3 LEU B 48 6.045 -5.520 -1.305 1.00 0.00 H new ATOM 0 HG LEU B 48 5.092 -4.059 -3.791 1.00 0.00 H new ATOM 0 HD11 LEU B 48 5.697 -2.009 -2.564 1.00 0.00 H new ATOM 0 HD12 LEU B 48 4.393 -2.904 -1.749 1.00 0.00 H new ATOM 0 HD13 LEU B 48 6.056 -2.985 -1.119 1.00 0.00 H new ATOM 0 HD21 LEU B 48 7.403 -3.212 -3.882 1.00 0.00 H new ATOM 0 HD22 LEU B 48 7.827 -4.231 -2.486 1.00 0.00 H new ATOM 0 HD23 LEU B 48 7.344 -4.985 -4.024 1.00 0.00 H new ATOM 1048 N LYS B 49 5.509 -8.739 -1.686 1.00 0.00 N ATOM 1049 CA LYS B 49 4.930 -9.875 -0.977 1.00 0.00 C ATOM 1050 C LYS B 49 4.927 -9.636 0.528 1.00 0.00 C ATOM 1051 O LYS B 49 5.893 -9.118 1.087 1.00 0.00 O ATOM 1052 CB LYS B 49 5.708 -11.153 -1.301 1.00 0.00 C ATOM 1053 CG LYS B 49 5.127 -12.401 -0.657 1.00 0.00 C ATOM 1054 CD LYS B 49 6.000 -13.617 -0.918 1.00 0.00 C ATOM 1055 CE LYS B 49 7.300 -13.552 -0.131 1.00 0.00 C ATOM 1056 NZ LYS B 49 8.164 -14.738 -0.385 1.00 0.00 N ATOM 0 H LYS B 49 6.528 -8.704 -1.665 1.00 0.00 H new ATOM 0 HA LYS B 49 3.898 -9.990 -1.308 1.00 0.00 H new ATOM 0 HB2 LYS B 49 5.731 -11.290 -2.382 1.00 0.00 H new ATOM 0 HB3 LYS B 49 6.740 -11.032 -0.973 1.00 0.00 H new ATOM 0 HG2 LYS B 49 5.029 -12.246 0.417 1.00 0.00 H new ATOM 0 HG3 LYS B 49 4.125 -12.580 -1.046 1.00 0.00 H new ATOM 0 HD2 LYS B 49 5.455 -14.522 -0.648 1.00 0.00 H new ATOM 0 HD3 LYS B 49 6.222 -13.685 -1.983 1.00 0.00 H new ATOM 0 HE2 LYS B 49 7.841 -12.645 -0.399 1.00 0.00 H new ATOM 0 HE3 LYS B 49 7.077 -13.487 0.934 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 9.040 -14.655 0.170 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 7.658 -15.602 -0.106 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 8.399 -14.786 -1.397 1.00 0.00 H new ATOM 1070 N ARG B 50 3.831 -10.014 1.182 1.00 0.00 N ATOM 1071 CA ARG B 50 3.701 -9.842 2.623 1.00 0.00 C ATOM 1072 C ARG B 50 4.285 -11.038 3.369 1.00 0.00 C ATOM 1073 O ARG B 50 4.244 -12.166 2.880 1.00 0.00 O ATOM 1074 CB ARG B 50 2.230 -9.653 3.004 1.00 0.00 C ATOM 1075 CG ARG B 50 2.013 -9.400 4.487 1.00 0.00 C ATOM 1076 CD ARG B 50 0.540 -9.217 4.812 1.00 0.00 C ATOM 1077 NE ARG B 50 -0.248 -10.398 4.472 1.00 0.00 N ATOM 1078 CZ ARG B 50 -1.545 -10.522 4.736 1.00 0.00 C ATOM 1079 NH1 ARG B 50 -2.198 -9.539 5.341 1.00 0.00 N ATOM 1080 NH2 ARG B 50 -2.191 -11.628 4.394 1.00 0.00 N ATOM 0 H ARG B 50 3.020 -10.442 0.734 1.00 0.00 H new ATOM 0 HA ARG B 50 4.260 -8.951 2.910 1.00 0.00 H new ATOM 0 HB2 ARG B 50 1.821 -8.816 2.438 1.00 0.00 H new ATOM 0 HB3 ARG B 50 1.670 -10.541 2.710 1.00 0.00 H new ATOM 0 HG2 ARG B 50 2.412 -10.236 5.062 1.00 0.00 H new ATOM 0 HG3 ARG B 50 2.567 -8.511 4.790 1.00 0.00 H new ATOM 0 HD2 ARG B 50 0.428 -9.000 5.874 1.00 0.00 H new ATOM 0 HD3 ARG B 50 0.154 -8.355 4.268 1.00 0.00 H new ATOM 0 HE ARG B 50 0.224 -11.173 4.005 1.00 0.00 H new ATOM 0 HH11 ARG B 50 -1.705 -8.686 5.605 1.00 0.00 H new ATOM 0 HH12 ARG B 50 -3.193 -9.636 5.543 1.00 0.00 H new ATOM 0 HH21 ARG B 50 -1.693 -12.386 3.927 1.00 0.00 H new ATOM 0 HH22 ARG B 50 -3.186 -11.721 4.598 1.00 0.00 H new ATOM 1349 N GLU B 71 -0.246 -0.509 18.563 1.00 0.00 N ATOM 1350 CA GLU B 71 -0.040 0.364 17.413 1.00 0.00 C ATOM 1351 C GLU B 71 -0.113 -0.428 16.113 1.00 0.00 C ATOM 1352 O GLU B 71 -0.233 -1.653 16.126 1.00 0.00 O ATOM 1353 CB GLU B 71 1.311 1.074 17.519 1.00 0.00 C ATOM 1354 CG GLU B 71 2.500 0.126 17.525 1.00 0.00 C ATOM 1355 CD GLU B 71 3.826 0.854 17.633 1.00 0.00 C ATOM 1356 OE1 GLU B 71 4.291 1.077 18.770 1.00 0.00 O ATOM 1357 OE2 GLU B 71 4.400 1.200 16.580 1.00 0.00 O ATOM 0 HA GLU B 71 -0.833 1.112 17.408 1.00 0.00 H new ATOM 0 HB2 GLU B 71 1.414 1.767 16.684 1.00 0.00 H new ATOM 0 HB3 GLU B 71 1.328 1.670 18.432 1.00 0.00 H new ATOM 0 HG2 GLU B 71 2.402 -0.568 18.359 1.00 0.00 H new ATOM 0 HG3 GLU B 71 2.490 -0.469 16.612 1.00 0.00 H new ATOM 1364 N SER B 72 -0.038 0.279 14.989 1.00 0.00 N ATOM 1365 CA SER B 72 -0.096 -0.359 13.679 1.00 0.00 C ATOM 1366 C SER B 72 1.306 -0.624 13.140 1.00 0.00 C ATOM 1367 O SER B 72 2.147 0.273 13.103 1.00 0.00 O ATOM 1368 CB SER B 72 -0.877 0.515 12.697 1.00 0.00 C ATOM 1369 OG SER B 72 -0.258 1.779 12.536 1.00 0.00 O ATOM 0 H SER B 72 0.063 1.294 14.960 1.00 0.00 H new ATOM 0 HA SER B 72 -0.609 -1.314 13.790 1.00 0.00 H new ATOM 0 HB2 SER B 72 -0.943 0.013 11.732 1.00 0.00 H new ATOM 0 HB3 SER B 72 -1.897 0.649 13.057 1.00 0.00 H new ATOM 0 HG SER B 72 0.699 1.702 12.732 1.00 0.00 H new ATOM 1375 N THR B 73 1.547 -1.863 12.720 1.00 0.00 N ATOM 1376 CA THR B 73 2.846 -2.247 12.180 1.00 0.00 C ATOM 1377 C THR B 73 2.687 -3.213 11.010 1.00 0.00 C ATOM 1378 O THR B 73 2.288 -4.364 11.193 1.00 0.00 O ATOM 1379 CB THR B 73 3.732 -2.901 13.258 1.00 0.00 C ATOM 1380 OG1 THR B 73 3.884 -2.013 14.372 1.00 0.00 O ATOM 1381 CG2 THR B 73 5.102 -3.251 12.696 1.00 0.00 C ATOM 0 H THR B 73 0.860 -2.617 12.743 1.00 0.00 H new ATOM 0 HA THR B 73 3.329 -1.334 11.832 1.00 0.00 H new ATOM 0 HB THR B 73 3.245 -3.819 13.587 1.00 0.00 H new ATOM 0 HG1 THR B 73 4.447 -2.436 15.053 1.00 0.00 H new ATOM 0 HG21 THR B 73 5.709 -3.711 13.476 1.00 0.00 H new ATOM 0 HG22 THR B 73 4.988 -3.949 11.866 1.00 0.00 H new ATOM 0 HG23 THR B 73 5.593 -2.344 12.342 1.00 0.00 H new ATOM 1389 N TRP B 74 3.004 -2.738 9.811 1.00 0.00 N ATOM 1390 CA TRP B 74 2.897 -3.559 8.609 1.00 0.00 C ATOM 1391 C TRP B 74 4.278 -3.928 8.077 1.00 0.00 C ATOM 1392 O TRP B 74 5.028 -3.066 7.620 1.00 0.00 O ATOM 1393 CB TRP B 74 2.103 -2.822 7.531 1.00 0.00 C ATOM 1394 CG TRP B 74 0.694 -2.510 7.934 1.00 0.00 C ATOM 1395 CD1 TRP B 74 -0.358 -3.379 7.977 1.00 0.00 C ATOM 1396 CD2 TRP B 74 0.181 -1.239 8.349 1.00 0.00 C ATOM 1397 NE1 TRP B 74 -1.492 -2.727 8.394 1.00 0.00 N ATOM 1398 CE2 TRP B 74 -1.187 -1.412 8.629 1.00 0.00 C ATOM 1399 CE3 TRP B 74 0.748 0.030 8.513 1.00 0.00 C ATOM 1400 CZ2 TRP B 74 -1.997 -0.365 9.062 1.00 0.00 C ATOM 1401 CZ3 TRP B 74 -0.058 1.067 8.942 1.00 0.00 C ATOM 1402 CH2 TRP B 74 -1.417 0.864 9.213 1.00 0.00 C ATOM 0 H TRP B 74 3.337 -1.788 9.644 1.00 0.00 H new ATOM 0 HA TRP B 74 2.372 -4.477 8.873 1.00 0.00 H new ATOM 0 HB2 TRP B 74 2.616 -1.892 7.285 1.00 0.00 H new ATOM 0 HB3 TRP B 74 2.088 -3.427 6.625 1.00 0.00 H new ATOM 0 HD1 TRP B 74 -0.306 -4.427 7.720 1.00 0.00 H new ATOM 0 HE1 TRP B 74 -2.412 -3.152 8.510 1.00 0.00 H new ATOM 0 HE3 TRP B 74 1.795 0.195 8.308 1.00 0.00 H new ATOM 0 HZ2 TRP B 74 -3.045 -0.518 9.271 1.00 0.00 H new ATOM 0 HZ3 TRP B 74 0.367 2.051 9.071 1.00 0.00 H new ATOM 0 HH2 TRP B 74 -2.019 1.695 9.548 1.00 0.00 H new ATOM 1413 N ARG B 75 4.607 -5.216 8.137 1.00 0.00 N ATOM 1414 CA ARG B 75 5.896 -5.700 7.657 1.00 0.00 C ATOM 1415 C ARG B 75 5.769 -6.319 6.269 1.00 0.00 C ATOM 1416 O ARG B 75 5.091 -7.331 6.090 1.00 0.00 O ATOM 1417 CB ARG B 75 6.473 -6.726 8.633 1.00 0.00 C ATOM 1418 CG ARG B 75 6.735 -6.162 10.019 1.00 0.00 C ATOM 1419 CD ARG B 75 7.521 -7.140 10.874 1.00 0.00 C ATOM 1420 NE ARG B 75 7.777 -6.614 12.212 1.00 0.00 N ATOM 1421 CZ ARG B 75 8.492 -7.257 13.132 1.00 0.00 C ATOM 1422 NH1 ARG B 75 9.017 -8.444 12.861 1.00 0.00 N ATOM 1423 NH2 ARG B 75 8.681 -6.710 14.326 1.00 0.00 N ATOM 0 H ARG B 75 3.998 -5.942 8.514 1.00 0.00 H new ATOM 0 HA ARG B 75 6.571 -4.847 7.591 1.00 0.00 H new ATOM 0 HB2 ARG B 75 5.783 -7.566 8.715 1.00 0.00 H new ATOM 0 HB3 ARG B 75 7.405 -7.118 8.227 1.00 0.00 H new ATOM 0 HG2 ARG B 75 7.286 -5.225 9.934 1.00 0.00 H new ATOM 0 HG3 ARG B 75 5.787 -5.931 10.505 1.00 0.00 H new ATOM 0 HD2 ARG B 75 6.970 -8.077 10.952 1.00 0.00 H new ATOM 0 HD3 ARG B 75 8.469 -7.367 10.386 1.00 0.00 H new ATOM 0 HE ARG B 75 7.386 -5.704 12.455 1.00 0.00 H new ATOM 0 HH11 ARG B 75 8.874 -8.868 11.944 1.00 0.00 H new ATOM 0 HH12 ARG B 75 9.564 -8.933 13.569 1.00 0.00 H new ATOM 0 HH21 ARG B 75 8.278 -5.797 14.538 1.00 0.00 H new ATOM 0 HH22 ARG B 75 9.229 -7.202 15.032 1.00 0.00 H new ATOM 1437 N PHE B 76 6.423 -5.701 5.289 1.00 0.00 N ATOM 1438 CA PHE B 76 6.385 -6.193 3.917 1.00 0.00 C ATOM 1439 C PHE B 76 7.778 -6.588 3.437 1.00 0.00 C ATOM 1440 O PHE B 76 8.782 -6.249 4.065 1.00 0.00 O ATOM 1441 CB PHE B 76 5.801 -5.129 2.984 1.00 0.00 C ATOM 1442 CG PHE B 76 4.366 -4.790 3.271 1.00 0.00 C ATOM 1443 CD1 PHE B 76 3.354 -5.685 2.962 1.00 0.00 C ATOM 1444 CD2 PHE B 76 4.029 -3.576 3.847 1.00 0.00 C ATOM 1445 CE1 PHE B 76 2.032 -5.374 3.221 1.00 0.00 C ATOM 1446 CE2 PHE B 76 2.710 -3.260 4.110 1.00 0.00 C ATOM 1447 CZ PHE B 76 1.709 -4.159 3.796 1.00 0.00 C ATOM 0 H PHE B 76 6.985 -4.860 5.420 1.00 0.00 H new ATOM 0 HA PHE B 76 5.748 -7.077 3.898 1.00 0.00 H new ATOM 0 HB2 PHE B 76 6.401 -4.222 3.062 1.00 0.00 H new ATOM 0 HB3 PHE B 76 5.883 -5.478 1.955 1.00 0.00 H new ATOM 0 HD1 PHE B 76 3.601 -6.636 2.514 1.00 0.00 H new ATOM 0 HD2 PHE B 76 4.807 -2.868 4.093 1.00 0.00 H new ATOM 0 HE1 PHE B 76 1.252 -6.080 2.974 1.00 0.00 H new ATOM 0 HE2 PHE B 76 2.462 -2.311 4.561 1.00 0.00 H new ATOM 0 HZ PHE B 76 0.677 -3.913 3.999 1.00 0.00 H new ATOM 1457 N ARG B 77 7.828 -7.302 2.319 1.00 0.00 N ATOM 1458 CA ARG B 77 9.093 -7.744 1.744 1.00 0.00 C ATOM 1459 C ARG B 77 8.997 -7.807 0.221 1.00 0.00 C ATOM 1460 O ARG B 77 8.031 -8.341 -0.326 1.00 0.00 O ATOM 1461 CB ARG B 77 9.480 -9.114 2.297 1.00 0.00 C ATOM 1462 CG ARG B 77 10.866 -9.567 1.871 1.00 0.00 C ATOM 1463 CD ARG B 77 11.950 -8.650 2.414 1.00 0.00 C ATOM 1464 NE ARG B 77 13.288 -9.109 2.051 1.00 0.00 N ATOM 1465 CZ ARG B 77 14.407 -8.583 2.541 1.00 0.00 C ATOM 1466 NH1 ARG B 77 14.348 -7.581 3.410 1.00 0.00 N ATOM 1467 NH2 ARG B 77 15.585 -9.058 2.165 1.00 0.00 N ATOM 0 H ARG B 77 7.004 -7.588 1.791 1.00 0.00 H new ATOM 0 HA ARG B 77 9.862 -7.022 2.018 1.00 0.00 H new ATOM 0 HB2 ARG B 77 9.434 -9.084 3.386 1.00 0.00 H new ATOM 0 HB3 ARG B 77 8.748 -9.851 1.967 1.00 0.00 H new ATOM 0 HG2 ARG B 77 11.040 -10.584 2.222 1.00 0.00 H new ATOM 0 HG3 ARG B 77 10.922 -9.592 0.783 1.00 0.00 H new ATOM 0 HD2 ARG B 77 11.797 -7.641 2.031 1.00 0.00 H new ATOM 0 HD3 ARG B 77 11.868 -8.595 3.499 1.00 0.00 H new ATOM 0 HE ARG B 77 13.369 -9.876 1.384 1.00 0.00 H new ATOM 0 HH11 ARG B 77 13.443 -7.213 3.703 1.00 0.00 H new ATOM 0 HH12 ARG B 77 15.208 -7.179 3.784 1.00 0.00 H new ATOM 0 HH21 ARG B 77 15.635 -9.829 1.499 1.00 0.00 H new ATOM 0 HH22 ARG B 77 16.442 -8.653 2.542 1.00 0.00 H new ATOM 1481 N VAL B 78 10.000 -7.260 -0.455 1.00 0.00 N ATOM 1482 CA VAL B 78 10.017 -7.255 -1.914 1.00 0.00 C ATOM 1483 C VAL B 78 10.466 -8.604 -2.469 1.00 0.00 C ATOM 1484 O VAL B 78 11.363 -9.244 -1.922 1.00 0.00 O ATOM 1485 CB VAL B 78 10.938 -6.149 -2.462 1.00 0.00 C ATOM 1486 CG1 VAL B 78 10.891 -6.113 -3.981 1.00 0.00 C ATOM 1487 CG2 VAL B 78 10.547 -4.801 -1.879 1.00 0.00 C ATOM 0 H VAL B 78 10.809 -6.816 -0.020 1.00 0.00 H new ATOM 0 HA VAL B 78 8.995 -7.059 -2.239 1.00 0.00 H new ATOM 0 HB VAL B 78 11.962 -6.371 -2.162 1.00 0.00 H new ATOM 0 HG11 VAL B 78 11.549 -5.325 -4.347 1.00 0.00 H new ATOM 0 HG12 VAL B 78 11.220 -7.073 -4.378 1.00 0.00 H new ATOM 0 HG13 VAL B 78 9.870 -5.915 -4.309 1.00 0.00 H new ATOM 0 HG21 VAL B 78 11.206 -4.028 -2.275 1.00 0.00 H new ATOM 0 HG22 VAL B 78 9.516 -4.572 -2.150 1.00 0.00 H new ATOM 0 HG23 VAL B 78 10.638 -4.834 -0.793 1.00 0.00 H new ATOM 1497 N ALA B 79 9.832 -9.026 -3.560 1.00 0.00 N ATOM 1498 CA ALA B 79 10.163 -10.299 -4.192 1.00 0.00 C ATOM 1499 C ALA B 79 10.350 -10.135 -5.696 1.00 0.00 C ATOM 1500 O ALA B 79 11.267 -10.708 -6.283 1.00 0.00 O ATOM 1501 CB ALA B 79 9.078 -11.327 -3.903 1.00 0.00 C ATOM 0 H ALA B 79 9.087 -8.506 -4.024 1.00 0.00 H new ATOM 0 HA ALA B 79 11.106 -10.651 -3.772 1.00 0.00 H new ATOM 0 HB1 ALA B 79 9.336 -12.273 -4.380 1.00 0.00 H new ATOM 0 HB2 ALA B 79 8.994 -11.475 -2.826 1.00 0.00 H new ATOM 0 HB3 ALA B 79 8.126 -10.971 -4.296 1.00 0.00 H new ATOM 1507 N ALA B 80 9.473 -9.347 -6.314 1.00 0.00 N ATOM 1508 CA ALA B 80 9.541 -9.103 -7.750 1.00 0.00 C ATOM 1509 C ALA B 80 9.438 -7.614 -8.052 1.00 0.00 C ATOM 1510 O ALA B 80 9.075 -6.819 -7.185 1.00 0.00 O ATOM 1511 CB ALA B 80 8.440 -9.869 -8.469 1.00 0.00 C ATOM 0 H ALA B 80 8.707 -8.867 -5.841 1.00 0.00 H new ATOM 0 HA ALA B 80 10.506 -9.457 -8.112 1.00 0.00 H new ATOM 0 HB1 ALA B 80 8.503 -9.677 -9.540 1.00 0.00 H new ATOM 0 HB2 ALA B 80 8.559 -10.937 -8.284 1.00 0.00 H new ATOM 0 HB3 ALA B 80 7.468 -9.543 -8.099 1.00 0.00 H new ATOM 1517 N SER B 81 9.756 -7.239 -9.287 1.00 0.00 N ATOM 1518 CA SER B 81 9.699 -5.847 -9.696 1.00 0.00 C ATOM 1519 C SER B 81 8.356 -5.516 -10.335 1.00 0.00 C ATOM 1520 O SER B 81 7.422 -6.316 -10.293 1.00 0.00 O ATOM 1521 CB SER B 81 10.831 -5.545 -10.674 1.00 0.00 C ATOM 1522 OG SER B 81 12.093 -5.647 -10.041 1.00 0.00 O ATOM 0 H SER B 81 10.055 -7.883 -10.019 1.00 0.00 H new ATOM 0 HA SER B 81 9.814 -5.226 -8.807 1.00 0.00 H new ATOM 0 HB2 SER B 81 10.785 -6.239 -11.514 1.00 0.00 H new ATOM 0 HB3 SER B 81 10.705 -4.542 -11.082 1.00 0.00 H new ATOM 0 HG SER B 81 12.766 -5.927 -10.696 1.00 0.00 H new ATOM 1528 N GLY B 82 8.271 -4.331 -10.925 1.00 0.00 N ATOM 1529 CA GLY B 82 7.041 -3.901 -11.563 1.00 0.00 C ATOM 1530 C GLY B 82 6.462 -2.654 -10.923 1.00 0.00 C ATOM 1531 O GLY B 82 6.812 -2.312 -9.793 1.00 0.00 O ATOM 0 H GLY B 82 9.035 -3.657 -10.973 1.00 0.00 H new ATOM 0 HA2 GLY B 82 7.231 -3.709 -12.619 1.00 0.00 H new ATOM 0 HA3 GLY B 82 6.308 -4.706 -11.512 1.00 0.00 H new ATOM 1535 N ASP B 83 5.578 -1.973 -11.645 1.00 0.00 N ATOM 1536 CA ASP B 83 4.953 -0.758 -11.138 1.00 0.00 C ATOM 1537 C ASP B 83 3.786 -1.092 -10.215 1.00 0.00 C ATOM 1538 O ASP B 83 3.165 -2.149 -10.341 1.00 0.00 O ATOM 1539 CB ASP B 83 4.468 0.117 -12.294 1.00 0.00 C ATOM 1540 CG ASP B 83 3.779 1.381 -11.819 1.00 0.00 C ATOM 1541 OD1 ASP B 83 2.546 1.347 -11.626 1.00 0.00 O ATOM 1542 OD2 ASP B 83 4.474 2.404 -11.639 1.00 0.00 O ATOM 0 H ASP B 83 5.279 -2.242 -12.582 1.00 0.00 H new ATOM 0 HA ASP B 83 5.701 -0.208 -10.567 1.00 0.00 H new ATOM 0 HB2 ASP B 83 5.317 0.385 -12.923 1.00 0.00 H new ATOM 0 HB3 ASP B 83 3.780 -0.456 -12.915 1.00 0.00 H new ATOM 1547 N ASP B 84 3.491 -0.184 -9.291 1.00 0.00 N ATOM 1548 CA ASP B 84 2.398 -0.381 -8.343 1.00 0.00 C ATOM 1549 C ASP B 84 2.135 0.891 -7.542 1.00 0.00 C ATOM 1550 O ASP B 84 2.819 1.900 -7.715 1.00 0.00 O ATOM 1551 CB ASP B 84 2.722 -1.537 -7.395 1.00 0.00 C ATOM 1552 CG ASP B 84 3.955 -1.267 -6.557 1.00 0.00 C ATOM 1553 OD1 ASP B 84 3.807 -1.017 -5.342 1.00 0.00 O ATOM 1554 OD2 ASP B 84 5.074 -1.305 -7.116 1.00 0.00 O ATOM 0 H ASP B 84 3.993 0.696 -9.178 1.00 0.00 H new ATOM 0 HA ASP B 84 1.498 -0.624 -8.909 1.00 0.00 H new ATOM 0 HB2 ASP B 84 1.871 -1.714 -6.738 1.00 0.00 H new ATOM 0 HB3 ASP B 84 2.872 -2.448 -7.975 1.00 0.00 H new ATOM 1559 N ARG B 85 1.136 0.835 -6.666 1.00 0.00 N ATOM 1560 CA ARG B 85 0.778 1.976 -5.837 1.00 0.00 C ATOM 1561 C ARG B 85 0.177 1.517 -4.514 1.00 0.00 C ATOM 1562 O ARG B 85 -0.703 0.657 -4.490 1.00 0.00 O ATOM 1563 CB ARG B 85 -0.215 2.870 -6.579 1.00 0.00 C ATOM 1564 CG ARG B 85 -0.578 4.132 -5.821 1.00 0.00 C ATOM 1565 CD ARG B 85 -1.563 4.986 -6.603 1.00 0.00 C ATOM 1566 NE ARG B 85 -2.837 4.304 -6.809 1.00 0.00 N ATOM 1567 CZ ARG B 85 -3.862 4.841 -7.465 1.00 0.00 C ATOM 1568 NH1 ARG B 85 -3.760 6.059 -7.978 1.00 0.00 N ATOM 1569 NH2 ARG B 85 -4.990 4.156 -7.609 1.00 0.00 N ATOM 0 H ARG B 85 0.560 0.007 -6.513 1.00 0.00 H new ATOM 0 HA ARG B 85 1.684 2.544 -5.625 1.00 0.00 H new ATOM 0 HB2 ARG B 85 0.208 3.145 -7.545 1.00 0.00 H new ATOM 0 HB3 ARG B 85 -1.124 2.302 -6.779 1.00 0.00 H new ATOM 0 HG2 ARG B 85 -1.010 3.867 -4.856 1.00 0.00 H new ATOM 0 HG3 ARG B 85 0.325 4.709 -5.618 1.00 0.00 H new ATOM 0 HD2 ARG B 85 -1.735 5.921 -6.070 1.00 0.00 H new ATOM 0 HD3 ARG B 85 -1.130 5.245 -7.569 1.00 0.00 H new ATOM 0 HE ARG B 85 -2.947 3.364 -6.429 1.00 0.00 H new ATOM 0 HH11 ARG B 85 -2.894 6.587 -7.870 1.00 0.00 H new ATOM 0 HH12 ARG B 85 -4.548 6.468 -8.481 1.00 0.00 H new ATOM 0 HH21 ARG B 85 -5.071 3.218 -7.217 1.00 0.00 H new ATOM 0 HH22 ARG B 85 -5.776 4.568 -8.112 1.00 0.00 H new ATOM 1583 N LEU B 86 0.654 2.092 -3.414 1.00 0.00 N ATOM 1584 CA LEU B 86 0.157 1.736 -2.090 1.00 0.00 C ATOM 1585 C LEU B 86 -0.986 2.661 -1.679 1.00 0.00 C ATOM 1586 O LEU B 86 -0.913 3.875 -1.877 1.00 0.00 O ATOM 1587 CB LEU B 86 1.284 1.807 -1.059 1.00 0.00 C ATOM 1588 CG LEU B 86 1.088 0.926 0.177 1.00 0.00 C ATOM 1589 CD1 LEU B 86 1.229 -0.542 -0.189 1.00 0.00 C ATOM 1590 CD2 LEU B 86 2.082 1.303 1.266 1.00 0.00 C ATOM 0 H LEU B 86 1.383 2.805 -3.414 1.00 0.00 H new ATOM 0 HA LEU B 86 -0.218 0.714 -2.131 1.00 0.00 H new ATOM 0 HB2 LEU B 86 2.218 1.523 -1.544 1.00 0.00 H new ATOM 0 HB3 LEU B 86 1.395 2.842 -0.735 1.00 0.00 H new ATOM 0 HG LEU B 86 0.081 1.090 0.561 1.00 0.00 H new ATOM 0 HD11 LEU B 86 1.087 -1.154 0.701 1.00 0.00 H new ATOM 0 HD12 LEU B 86 0.478 -0.805 -0.934 1.00 0.00 H new ATOM 0 HD13 LEU B 86 2.224 -0.721 -0.597 1.00 0.00 H new ATOM 0 HD21 LEU B 86 1.927 0.666 2.137 1.00 0.00 H new ATOM 0 HD22 LEU B 86 3.098 1.168 0.894 1.00 0.00 H new ATOM 0 HD23 LEU B 86 1.934 2.345 1.548 1.00 0.00 H new ATOM 1602 N GLU B 87 -2.037 2.083 -1.104 1.00 0.00 N ATOM 1603 CA GLU B 87 -3.198 2.860 -0.680 1.00 0.00 C ATOM 1604 C GLU B 87 -3.708 2.401 0.684 1.00 0.00 C ATOM 1605 O GLU B 87 -4.023 1.227 0.880 1.00 0.00 O ATOM 1606 CB GLU B 87 -4.321 2.744 -1.715 1.00 0.00 C ATOM 1607 CG GLU B 87 -3.857 2.959 -3.144 1.00 0.00 C ATOM 1608 CD GLU B 87 -4.976 3.414 -4.060 1.00 0.00 C ATOM 1609 OE1 GLU B 87 -5.653 2.545 -4.649 1.00 0.00 O ATOM 1610 OE2 GLU B 87 -5.176 4.642 -4.190 1.00 0.00 O ATOM 0 H GLU B 87 -2.109 1.082 -0.921 1.00 0.00 H new ATOM 0 HA GLU B 87 -2.886 3.901 -0.597 1.00 0.00 H new ATOM 0 HB2 GLU B 87 -4.777 1.757 -1.635 1.00 0.00 H new ATOM 0 HB3 GLU B 87 -5.096 3.473 -1.480 1.00 0.00 H new ATOM 0 HG2 GLU B 87 -3.059 3.702 -3.155 1.00 0.00 H new ATOM 0 HG3 GLU B 87 -3.433 2.031 -3.528 1.00 0.00 H new ATOM 1617 N LEU B 88 -3.787 3.341 1.626 1.00 0.00 N ATOM 1618 CA LEU B 88 -4.268 3.045 2.971 1.00 0.00 C ATOM 1619 C LEU B 88 -5.142 4.184 3.489 1.00 0.00 C ATOM 1620 O LEU B 88 -4.779 5.354 3.380 1.00 0.00 O ATOM 1621 CB LEU B 88 -3.097 2.819 3.931 1.00 0.00 C ATOM 1622 CG LEU B 88 -2.137 1.694 3.543 1.00 0.00 C ATOM 1623 CD1 LEU B 88 -1.059 2.211 2.605 1.00 0.00 C ATOM 1624 CD2 LEU B 88 -1.515 1.072 4.783 1.00 0.00 C ATOM 0 H LEU B 88 -3.523 4.315 1.480 1.00 0.00 H new ATOM 0 HA LEU B 88 -4.862 2.133 2.920 1.00 0.00 H new ATOM 0 HB2 LEU B 88 -2.530 3.746 4.010 1.00 0.00 H new ATOM 0 HB3 LEU B 88 -3.498 2.606 4.922 1.00 0.00 H new ATOM 0 HG LEU B 88 -2.704 0.923 3.021 1.00 0.00 H new ATOM 0 HD11 LEU B 88 -0.386 1.396 2.340 1.00 0.00 H new ATOM 0 HD12 LEU B 88 -1.522 2.607 1.701 1.00 0.00 H new ATOM 0 HD13 LEU B 88 -0.495 3.002 3.100 1.00 0.00 H new ATOM 0 HD21 LEU B 88 -0.835 0.273 4.487 1.00 0.00 H new ATOM 0 HD22 LEU B 88 -0.963 1.833 5.334 1.00 0.00 H new ATOM 0 HD23 LEU B 88 -2.301 0.663 5.418 1.00 0.00 H new ATOM 1636 N VAL B 89 -6.296 3.837 4.053 1.00 0.00 N ATOM 1637 CA VAL B 89 -7.212 4.836 4.589 1.00 0.00 C ATOM 1638 C VAL B 89 -7.382 4.676 6.097 1.00 0.00 C ATOM 1639 O VAL B 89 -6.972 3.669 6.673 1.00 0.00 O ATOM 1640 CB VAL B 89 -8.595 4.760 3.912 1.00 0.00 C ATOM 1641 CG1 VAL B 89 -8.482 5.080 2.429 1.00 0.00 C ATOM 1642 CG2 VAL B 89 -9.221 3.390 4.123 1.00 0.00 C ATOM 0 H VAL B 89 -6.617 2.874 4.150 1.00 0.00 H new ATOM 0 HA VAL B 89 -6.771 5.810 4.379 1.00 0.00 H new ATOM 0 HB VAL B 89 -9.245 5.504 4.373 1.00 0.00 H new ATOM 0 HG11 VAL B 89 -9.468 5.021 1.968 1.00 0.00 H new ATOM 0 HG12 VAL B 89 -8.082 6.086 2.303 1.00 0.00 H new ATOM 0 HG13 VAL B 89 -7.815 4.362 1.952 1.00 0.00 H new ATOM 0 HG21 VAL B 89 -10.196 3.357 3.638 1.00 0.00 H new ATOM 0 HG22 VAL B 89 -8.575 2.625 3.692 1.00 0.00 H new ATOM 0 HG23 VAL B 89 -9.341 3.205 5.191 1.00 0.00 H new ATOM 1652 N TYR B 90 -7.993 5.676 6.727 1.00 0.00 N ATOM 1653 CA TYR B 90 -8.212 5.653 8.171 1.00 0.00 C ATOM 1654 C TYR B 90 -9.696 5.517 8.499 1.00 0.00 C ATOM 1655 O TYR B 90 -10.446 6.491 8.435 1.00 0.00 O ATOM 1656 CB TYR B 90 -7.650 6.928 8.802 1.00 0.00 C ATOM 1657 CG TYR B 90 -7.726 6.958 10.311 1.00 0.00 C ATOM 1658 CD1 TYR B 90 -8.429 7.960 10.970 1.00 0.00 C ATOM 1659 CD2 TYR B 90 -7.093 5.989 11.080 1.00 0.00 C ATOM 1660 CE1 TYR B 90 -8.498 7.996 12.349 1.00 0.00 C ATOM 1661 CE2 TYR B 90 -7.157 6.019 12.460 1.00 0.00 C ATOM 1662 CZ TYR B 90 -7.861 7.023 13.090 1.00 0.00 C ATOM 1663 OH TYR B 90 -7.926 7.054 14.464 1.00 0.00 O ATOM 0 H TYR B 90 -8.345 6.512 6.261 1.00 0.00 H new ATOM 0 HA TYR B 90 -7.693 4.787 8.582 1.00 0.00 H new ATOM 0 HB2 TYR B 90 -6.609 7.041 8.500 1.00 0.00 H new ATOM 0 HB3 TYR B 90 -8.192 7.786 8.405 1.00 0.00 H new ATOM 0 HD1 TYR B 90 -8.930 8.724 10.394 1.00 0.00 H new ATOM 0 HD2 TYR B 90 -6.542 5.199 10.591 1.00 0.00 H new ATOM 0 HE1 TYR B 90 -9.048 8.782 12.844 1.00 0.00 H new ATOM 0 HE2 TYR B 90 -6.658 5.259 13.043 1.00 0.00 H new ATOM 0 HH TYR B 90 -8.151 6.162 14.801 1.00 0.00 H new ATOM 1673 N ARG B 91 -10.111 4.303 8.848 1.00 0.00 N ATOM 1674 CA ARG B 91 -11.504 4.038 9.188 1.00 0.00 C ATOM 1675 C ARG B 91 -11.651 2.680 9.865 1.00 0.00 C ATOM 1676 O ARG B 91 -10.692 1.911 9.952 1.00 0.00 O ATOM 1677 CB ARG B 91 -12.375 4.087 7.931 1.00 0.00 C ATOM 1678 CG ARG B 91 -11.952 3.099 6.856 1.00 0.00 C ATOM 1679 CD ARG B 91 -12.827 3.213 5.619 1.00 0.00 C ATOM 1680 NE ARG B 91 -12.421 2.279 4.572 1.00 0.00 N ATOM 1681 CZ ARG B 91 -12.922 2.288 3.340 1.00 0.00 C ATOM 1682 NH1 ARG B 91 -13.843 3.181 3.002 1.00 0.00 N ATOM 1683 NH2 ARG B 91 -12.501 1.405 2.445 1.00 0.00 N ATOM 0 H ARG B 91 -9.502 3.487 8.903 1.00 0.00 H new ATOM 0 HA ARG B 91 -11.834 4.809 9.884 1.00 0.00 H new ATOM 0 HB2 ARG B 91 -13.410 3.887 8.209 1.00 0.00 H new ATOM 0 HB3 ARG B 91 -12.345 5.095 7.518 1.00 0.00 H new ATOM 0 HG2 ARG B 91 -10.912 3.278 6.585 1.00 0.00 H new ATOM 0 HG3 ARG B 91 -12.008 2.084 7.250 1.00 0.00 H new ATOM 0 HD2 ARG B 91 -13.865 3.023 5.891 1.00 0.00 H new ATOM 0 HD3 ARG B 91 -12.779 4.232 5.234 1.00 0.00 H new ATOM 0 HE ARG B 91 -11.713 1.580 4.798 1.00 0.00 H new ATOM 0 HH11 ARG B 91 -14.168 3.863 3.688 1.00 0.00 H new ATOM 0 HH12 ARG B 91 -14.226 3.186 2.057 1.00 0.00 H new ATOM 0 HH21 ARG B 91 -11.792 0.718 2.701 1.00 0.00 H new ATOM 0 HH22 ARG B 91 -12.886 1.413 1.501 1.00 0.00 H new ATOM 1697 N ARG B 92 -12.858 2.392 10.343 1.00 0.00 N ATOM 1698 CA ARG B 92 -13.132 1.126 11.010 1.00 0.00 C ATOM 1699 C ARG B 92 -13.017 -0.037 10.022 1.00 0.00 C ATOM 1700 O ARG B 92 -13.754 -0.096 9.038 1.00 0.00 O ATOM 1701 CB ARG B 92 -14.527 1.154 11.635 1.00 0.00 C ATOM 1702 CG ARG B 92 -14.713 2.272 12.649 1.00 0.00 C ATOM 1703 CD ARG B 92 -16.138 2.319 13.180 1.00 0.00 C ATOM 1704 NE ARG B 92 -16.334 3.412 14.128 1.00 0.00 N ATOM 1705 CZ ARG B 92 -17.512 3.723 14.661 1.00 0.00 C ATOM 1706 NH1 ARG B 92 -18.594 3.027 14.340 1.00 0.00 N ATOM 1707 NH2 ARG B 92 -17.608 4.730 15.519 1.00 0.00 N ATOM 0 H ARG B 92 -13.661 3.018 10.280 1.00 0.00 H new ATOM 0 HA ARG B 92 -12.394 0.981 11.799 1.00 0.00 H new ATOM 0 HB2 ARG B 92 -15.269 1.264 10.844 1.00 0.00 H new ATOM 0 HB3 ARG B 92 -14.718 0.197 12.121 1.00 0.00 H new ATOM 0 HG2 ARG B 92 -14.020 2.130 13.478 1.00 0.00 H new ATOM 0 HG3 ARG B 92 -14.465 3.228 12.187 1.00 0.00 H new ATOM 0 HD2 ARG B 92 -16.831 2.433 12.347 1.00 0.00 H new ATOM 0 HD3 ARG B 92 -16.375 1.372 13.665 1.00 0.00 H new ATOM 0 HE ARG B 92 -15.522 3.968 14.396 1.00 0.00 H new ATOM 0 HH11 ARG B 92 -18.524 2.250 13.682 1.00 0.00 H new ATOM 0 HH12 ARG B 92 -19.496 3.268 14.751 1.00 0.00 H new ATOM 0 HH21 ARG B 92 -16.778 5.267 15.770 1.00 0.00 H new ATOM 0 HH22 ARG B 92 -18.512 4.968 15.927 1.00 0.00 H new ATOM 1721 N PRO B 93 -12.087 -0.980 10.271 1.00 0.00 N ATOM 1722 CA PRO B 93 -11.869 -2.135 9.388 1.00 0.00 C ATOM 1723 C PRO B 93 -13.096 -3.038 9.267 1.00 0.00 C ATOM 1724 O PRO B 93 -13.258 -3.740 8.269 1.00 0.00 O ATOM 1725 CB PRO B 93 -10.719 -2.897 10.058 1.00 0.00 C ATOM 1726 CG PRO B 93 -10.067 -1.903 10.958 1.00 0.00 C ATOM 1727 CD PRO B 93 -11.170 -0.999 11.423 1.00 0.00 C ATOM 0 HA PRO B 93 -11.655 -1.814 8.369 1.00 0.00 H new ATOM 0 HB2 PRO B 93 -11.089 -3.755 10.620 1.00 0.00 H new ATOM 0 HB3 PRO B 93 -10.016 -3.280 9.318 1.00 0.00 H new ATOM 0 HG2 PRO B 93 -9.582 -2.396 11.801 1.00 0.00 H new ATOM 0 HG3 PRO B 93 -9.296 -1.342 10.430 1.00 0.00 H new ATOM 0 HD2 PRO B 93 -11.656 -1.383 12.320 1.00 0.00 H new ATOM 0 HD3 PRO B 93 -10.801 -0.002 11.662 1.00 0.00 H new ATOM 1735 N TRP B 94 -13.959 -3.017 10.279 1.00 0.00 N ATOM 1736 CA TRP B 94 -15.157 -3.850 10.269 1.00 0.00 C ATOM 1737 C TRP B 94 -16.275 -3.214 9.444 1.00 0.00 C ATOM 1738 O TRP B 94 -17.390 -3.732 9.393 1.00 0.00 O ATOM 1739 CB TRP B 94 -15.643 -4.113 11.698 1.00 0.00 C ATOM 1740 CG TRP B 94 -15.913 -2.865 12.481 1.00 0.00 C ATOM 1741 CD1 TRP B 94 -16.978 -2.021 12.337 1.00 0.00 C ATOM 1742 CD2 TRP B 94 -15.112 -2.326 13.536 1.00 0.00 C ATOM 1743 NE1 TRP B 94 -16.884 -0.986 13.235 1.00 0.00 N ATOM 1744 CE2 TRP B 94 -15.747 -1.151 13.982 1.00 0.00 C ATOM 1745 CE3 TRP B 94 -13.918 -2.718 14.147 1.00 0.00 C ATOM 1746 CZ2 TRP B 94 -15.228 -0.369 15.010 1.00 0.00 C ATOM 1747 CZ3 TRP B 94 -13.404 -1.941 15.168 1.00 0.00 C ATOM 1748 CH2 TRP B 94 -14.059 -0.776 15.591 1.00 0.00 C ATOM 0 H TRP B 94 -13.852 -2.436 11.111 1.00 0.00 H new ATOM 0 HA TRP B 94 -14.892 -4.799 9.804 1.00 0.00 H new ATOM 0 HB2 TRP B 94 -16.554 -4.711 11.658 1.00 0.00 H new ATOM 0 HB3 TRP B 94 -14.895 -4.706 12.223 1.00 0.00 H new ATOM 0 HD1 TRP B 94 -17.777 -2.149 11.622 1.00 0.00 H new ATOM 0 HE1 TRP B 94 -17.551 -0.220 13.330 1.00 0.00 H new ATOM 0 HE3 TRP B 94 -13.405 -3.613 13.827 1.00 0.00 H new ATOM 0 HZ2 TRP B 94 -15.731 0.529 15.338 1.00 0.00 H new ATOM 0 HZ3 TRP B 94 -12.483 -2.236 15.648 1.00 0.00 H new ATOM 0 HH2 TRP B 94 -13.632 -0.189 16.391 1.00 0.00 H new ATOM 1759 N GLU B 95 -15.972 -2.091 8.797 1.00 0.00 N ATOM 1760 CA GLU B 95 -16.960 -1.399 7.972 1.00 0.00 C ATOM 1761 C GLU B 95 -16.754 -1.717 6.496 1.00 0.00 C ATOM 1762 O GLU B 95 -15.858 -2.483 6.134 1.00 0.00 O ATOM 1763 CB GLU B 95 -16.884 0.113 8.195 1.00 0.00 C ATOM 1764 CG GLU B 95 -17.393 0.553 9.554 1.00 0.00 C ATOM 1765 CD GLU B 95 -17.564 2.057 9.653 1.00 0.00 C ATOM 1766 OE1 GLU B 95 -18.710 2.535 9.509 1.00 0.00 O ATOM 1767 OE2 GLU B 95 -16.553 2.758 9.874 1.00 0.00 O ATOM 0 H GLU B 95 -15.056 -1.643 8.827 1.00 0.00 H new ATOM 0 HA GLU B 95 -17.948 -1.750 8.269 1.00 0.00 H new ATOM 0 HB2 GLU B 95 -15.849 0.437 8.082 1.00 0.00 H new ATOM 0 HB3 GLU B 95 -17.462 0.616 7.420 1.00 0.00 H new ATOM 0 HG2 GLU B 95 -18.348 0.068 9.755 1.00 0.00 H new ATOM 0 HG3 GLU B 95 -16.698 0.218 10.324 1.00 0.00 H new ATOM 1774 N LYS B 96 -17.588 -1.127 5.646 1.00 0.00 N ATOM 1775 CA LYS B 96 -17.500 -1.349 4.207 1.00 0.00 C ATOM 1776 C LYS B 96 -17.822 -0.073 3.435 1.00 0.00 C ATOM 1777 O LYS B 96 -18.946 0.429 3.490 1.00 0.00 O ATOM 1778 CB LYS B 96 -18.454 -2.470 3.787 1.00 0.00 C ATOM 1779 CG LYS B 96 -18.384 -2.814 2.305 1.00 0.00 C ATOM 1780 CD LYS B 96 -17.027 -3.388 1.924 1.00 0.00 C ATOM 1781 CE LYS B 96 -16.788 -4.742 2.572 1.00 0.00 C ATOM 1782 NZ LYS B 96 -15.466 -5.314 2.194 1.00 0.00 N ATOM 0 H LYS B 96 -18.333 -0.491 5.929 1.00 0.00 H new ATOM 0 HA LYS B 96 -16.477 -1.642 3.971 1.00 0.00 H new ATOM 0 HB2 LYS B 96 -18.228 -3.364 4.369 1.00 0.00 H new ATOM 0 HB3 LYS B 96 -19.474 -2.178 4.035 1.00 0.00 H new ATOM 0 HG2 LYS B 96 -19.165 -3.534 2.061 1.00 0.00 H new ATOM 0 HG3 LYS B 96 -18.580 -1.919 1.714 1.00 0.00 H new ATOM 0 HD2 LYS B 96 -16.965 -3.487 0.840 1.00 0.00 H new ATOM 0 HD3 LYS B 96 -16.241 -2.696 2.226 1.00 0.00 H new ATOM 0 HE2 LYS B 96 -16.843 -4.640 3.656 1.00 0.00 H new ATOM 0 HE3 LYS B 96 -17.579 -5.431 2.276 1.00 0.00 H new ATOM 0 HZ1 LYS B 96 -15.342 -6.237 2.657 1.00 0.00 H new ATOM 0 HZ2 LYS B 96 -15.422 -5.435 1.162 1.00 0.00 H new ATOM 0 HZ3 LYS B 96 -14.709 -4.670 2.499 1.00 0.00 H new ATOM 1796 N ASP B 97 -16.827 0.448 2.719 1.00 0.00 N ATOM 1797 CA ASP B 97 -16.999 1.665 1.931 1.00 0.00 C ATOM 1798 C ASP B 97 -17.482 2.822 2.803 1.00 0.00 C ATOM 1799 O ASP B 97 -18.129 3.750 2.315 1.00 0.00 O ATOM 1800 CB ASP B 97 -17.989 1.424 0.788 1.00 0.00 C ATOM 1801 CG ASP B 97 -17.478 0.408 -0.215 1.00 0.00 C ATOM 1802 OD1 ASP B 97 -16.763 0.811 -1.157 1.00 0.00 O ATOM 1803 OD2 ASP B 97 -17.792 -0.790 -0.059 1.00 0.00 O ATOM 0 H ASP B 97 -15.892 0.044 2.669 1.00 0.00 H new ATOM 0 HA ASP B 97 -16.029 1.933 1.513 1.00 0.00 H new ATOM 0 HB2 ASP B 97 -18.938 1.079 1.199 1.00 0.00 H new ATOM 0 HB3 ASP B 97 -18.187 2.367 0.278 1.00 0.00 H new ATOM 1808 N ALA B 98 -17.158 2.764 4.089 1.00 0.00 N ATOM 1809 CA ALA B 98 -17.559 3.806 5.027 1.00 0.00 C ATOM 1810 C ALA B 98 -16.841 5.118 4.727 1.00 0.00 C ATOM 1811 O ALA B 98 -16.145 5.241 3.720 1.00 0.00 O ATOM 1812 CB ALA B 98 -17.282 3.365 6.457 1.00 0.00 C ATOM 0 H ALA B 98 -16.618 2.006 4.507 1.00 0.00 H new ATOM 0 HA ALA B 98 -18.630 3.973 4.912 1.00 0.00 H new ATOM 0 HB1 ALA B 98 -17.586 4.153 7.146 1.00 0.00 H new ATOM 0 HB2 ALA B 98 -17.844 2.457 6.673 1.00 0.00 H new ATOM 0 HB3 ALA B 98 -16.217 3.169 6.577 1.00 0.00 H new ATOM 1818 N GLU B 99 -17.018 6.098 5.609 1.00 0.00 N ATOM 1819 CA GLU B 99 -16.387 7.403 5.442 1.00 0.00 C ATOM 1820 C GLU B 99 -15.153 7.528 6.335 1.00 0.00 C ATOM 1821 O GLU B 99 -15.272 7.789 7.532 1.00 0.00 O ATOM 1822 CB GLU B 99 -17.381 8.518 5.770 1.00 0.00 C ATOM 1823 CG GLU B 99 -18.617 8.512 4.888 1.00 0.00 C ATOM 1824 CD GLU B 99 -19.531 9.691 5.154 1.00 0.00 C ATOM 1825 OE1 GLU B 99 -19.349 10.742 4.503 1.00 0.00 O ATOM 1826 OE2 GLU B 99 -20.431 9.564 6.011 1.00 0.00 O ATOM 0 H GLU B 99 -17.593 6.013 6.447 1.00 0.00 H new ATOM 0 HA GLU B 99 -16.074 7.498 4.402 1.00 0.00 H new ATOM 0 HB2 GLU B 99 -17.688 8.424 6.812 1.00 0.00 H new ATOM 0 HB3 GLU B 99 -16.879 9.481 5.671 1.00 0.00 H new ATOM 0 HG2 GLU B 99 -18.312 8.523 3.842 1.00 0.00 H new ATOM 0 HG3 GLU B 99 -19.169 7.586 5.049 1.00 0.00 H new ATOM 1833 N PRO B 100 -13.946 7.337 5.767 1.00 0.00 N ATOM 1834 CA PRO B 100 -12.696 7.427 6.526 1.00 0.00 C ATOM 1835 C PRO B 100 -12.294 8.867 6.825 1.00 0.00 C ATOM 1836 O PRO B 100 -12.410 9.746 5.969 1.00 0.00 O ATOM 1837 CB PRO B 100 -11.677 6.769 5.597 1.00 0.00 C ATOM 1838 CG PRO B 100 -12.204 7.017 4.226 1.00 0.00 C ATOM 1839 CD PRO B 100 -13.705 7.015 4.345 1.00 0.00 C ATOM 0 HA PRO B 100 -12.777 6.952 7.503 1.00 0.00 H new ATOM 0 HB2 PRO B 100 -10.685 7.203 5.725 1.00 0.00 H new ATOM 0 HB3 PRO B 100 -11.586 5.702 5.800 1.00 0.00 H new ATOM 0 HG2 PRO B 100 -11.846 7.971 3.838 1.00 0.00 H new ATOM 0 HG3 PRO B 100 -11.868 6.245 3.534 1.00 0.00 H new ATOM 0 HD2 PRO B 100 -14.160 7.754 3.685 1.00 0.00 H new ATOM 0 HD3 PRO B 100 -14.126 6.046 4.077 1.00 0.00 H new ATOM 1847 N ALA B 101 -11.821 9.101 8.046 1.00 0.00 N ATOM 1848 CA ALA B 101 -11.395 10.434 8.458 1.00 0.00 C ATOM 1849 C ALA B 101 -10.133 10.853 7.712 1.00 0.00 C ATOM 1850 O ALA B 101 -10.134 11.840 6.977 1.00 0.00 O ATOM 1851 CB ALA B 101 -11.162 10.470 9.962 1.00 0.00 C ATOM 0 H ALA B 101 -11.723 8.385 8.766 1.00 0.00 H new ATOM 0 HA ALA B 101 -12.186 11.141 8.210 1.00 0.00 H new ATOM 0 HB1 ALA B 101 -10.844 11.470 10.257 1.00 0.00 H new ATOM 0 HB2 ALA B 101 -12.087 10.215 10.480 1.00 0.00 H new ATOM 0 HB3 ALA B 101 -10.388 9.750 10.228 1.00 0.00 H new ATOM 1857 N GLU B 102 -9.060 10.093 7.906 1.00 0.00 N ATOM 1858 CA GLU B 102 -7.790 10.375 7.245 1.00 0.00 C ATOM 1859 C GLU B 102 -7.642 9.528 5.989 1.00 0.00 C ATOM 1860 O GLU B 102 -8.568 8.817 5.594 1.00 0.00 O ATOM 1861 CB GLU B 102 -6.623 10.106 8.191 1.00 0.00 C ATOM 1862 CG GLU B 102 -6.242 11.298 9.049 1.00 0.00 C ATOM 1863 CD GLU B 102 -5.140 10.979 10.038 1.00 0.00 C ATOM 1864 OE1 GLU B 102 -5.461 10.567 11.173 1.00 0.00 O ATOM 1865 OE2 GLU B 102 -3.954 11.139 9.678 1.00 0.00 O ATOM 0 H GLU B 102 -9.044 9.276 8.516 1.00 0.00 H new ATOM 0 HA GLU B 102 -7.780 11.428 6.963 1.00 0.00 H new ATOM 0 HB2 GLU B 102 -6.880 9.270 8.841 1.00 0.00 H new ATOM 0 HB3 GLU B 102 -5.756 9.800 7.605 1.00 0.00 H new ATOM 0 HG2 GLU B 102 -5.920 12.116 8.405 1.00 0.00 H new ATOM 0 HG3 GLU B 102 -7.121 11.646 9.591 1.00 0.00 H new ATOM 1872 N SER B 103 -6.474 9.607 5.365 1.00 0.00 N ATOM 1873 CA SER B 103 -6.206 8.843 4.154 1.00 0.00 C ATOM 1874 C SER B 103 -4.713 8.783 3.857 1.00 0.00 C ATOM 1875 O SER B 103 -3.910 9.451 4.509 1.00 0.00 O ATOM 1876 CB SER B 103 -6.948 9.456 2.970 1.00 0.00 C ATOM 1877 OG SER B 103 -6.679 8.750 1.771 1.00 0.00 O ATOM 0 H SER B 103 -5.698 10.191 5.677 1.00 0.00 H new ATOM 0 HA SER B 103 -6.562 7.825 4.314 1.00 0.00 H new ATOM 0 HB2 SER B 103 -8.020 9.448 3.166 1.00 0.00 H new ATOM 0 HB3 SER B 103 -6.653 10.499 2.854 1.00 0.00 H new ATOM 0 HG SER B 103 -7.169 9.164 1.030 1.00 0.00 H new ATOM 1883 N PHE B 104 -4.352 7.976 2.865 1.00 0.00 N ATOM 1884 CA PHE B 104 -2.959 7.816 2.466 1.00 0.00 C ATOM 1885 C PHE B 104 -2.864 7.053 1.150 1.00 0.00 C ATOM 1886 O PHE B 104 -3.624 6.112 0.915 1.00 0.00 O ATOM 1887 CB PHE B 104 -2.175 7.080 3.556 1.00 0.00 C ATOM 1888 CG PHE B 104 -0.716 6.905 3.239 1.00 0.00 C ATOM 1889 CD1 PHE B 104 -0.255 5.733 2.658 1.00 0.00 C ATOM 1890 CD2 PHE B 104 0.193 7.909 3.523 1.00 0.00 C ATOM 1891 CE1 PHE B 104 1.085 5.569 2.365 1.00 0.00 C ATOM 1892 CE2 PHE B 104 1.534 7.752 3.233 1.00 0.00 C ATOM 1893 CZ PHE B 104 1.982 6.579 2.654 1.00 0.00 C ATOM 0 H PHE B 104 -5.010 7.419 2.320 1.00 0.00 H new ATOM 0 HA PHE B 104 -2.526 8.807 2.327 1.00 0.00 H new ATOM 0 HB2 PHE B 104 -2.271 7.629 4.493 1.00 0.00 H new ATOM 0 HB3 PHE B 104 -2.623 6.099 3.714 1.00 0.00 H new ATOM 0 HD1 PHE B 104 -0.952 4.939 2.432 1.00 0.00 H new ATOM 0 HD2 PHE B 104 -0.151 8.827 3.977 1.00 0.00 H new ATOM 0 HE1 PHE B 104 1.431 4.652 1.911 1.00 0.00 H new ATOM 0 HE2 PHE B 104 2.232 8.545 3.458 1.00 0.00 H new ATOM 0 HZ PHE B 104 3.031 6.453 2.428 1.00 0.00 H new ATOM 1903 N SER B 105 -1.936 7.464 0.293 1.00 0.00 N ATOM 1904 CA SER B 105 -1.748 6.813 -1.000 1.00 0.00 C ATOM 1905 C SER B 105 -0.519 7.360 -1.715 1.00 0.00 C ATOM 1906 O SER B 105 -0.501 8.512 -2.147 1.00 0.00 O ATOM 1907 CB SER B 105 -2.987 7.005 -1.876 1.00 0.00 C ATOM 1908 OG SER B 105 -3.252 8.381 -2.092 1.00 0.00 O ATOM 0 H SER B 105 -1.303 8.244 0.469 1.00 0.00 H new ATOM 0 HA SER B 105 -1.597 5.748 -0.821 1.00 0.00 H new ATOM 0 HB2 SER B 105 -2.840 6.505 -2.833 1.00 0.00 H new ATOM 0 HB3 SER B 105 -3.848 6.536 -1.401 1.00 0.00 H new ATOM 0 HG SER B 105 -2.406 8.870 -2.162 1.00 0.00 H new ATOM 1914 N CYS B 106 0.508 6.524 -1.840 1.00 0.00 N ATOM 1915 CA CYS B 106 1.741 6.921 -2.510 1.00 0.00 C ATOM 1916 C CYS B 106 2.079 5.962 -3.646 1.00 0.00 C ATOM 1917 O CYS B 106 1.527 4.865 -3.727 1.00 0.00 O ATOM 1918 CB CYS B 106 2.908 6.972 -1.520 1.00 0.00 C ATOM 1919 SG CYS B 106 2.907 8.413 -0.400 1.00 0.00 S ATOM 0 H CYS B 106 0.510 5.567 -1.486 1.00 0.00 H new ATOM 0 HA CYS B 106 1.582 7.917 -2.924 1.00 0.00 H new ATOM 0 HB2 CYS B 106 2.894 6.063 -0.918 1.00 0.00 H new ATOM 0 HB3 CYS B 106 3.842 6.968 -2.082 1.00 0.00 H new ATOM 1924 N ALA B 107 2.990 6.384 -4.516 1.00 0.00 N ATOM 1925 CA ALA B 107 3.405 5.560 -5.648 1.00 0.00 C ATOM 1926 C ALA B 107 4.608 4.692 -5.287 1.00 0.00 C ATOM 1927 O ALA B 107 5.384 5.027 -4.393 1.00 0.00 O ATOM 1928 CB ALA B 107 3.722 6.432 -6.852 1.00 0.00 C ATOM 0 H ALA B 107 3.455 7.290 -4.460 1.00 0.00 H new ATOM 0 HA ALA B 107 2.577 4.898 -5.903 1.00 0.00 H new ATOM 0 HB1 ALA B 107 4.030 5.802 -7.687 1.00 0.00 H new ATOM 0 HB2 ALA B 107 2.835 7.000 -7.134 1.00 0.00 H new ATOM 0 HB3 ALA B 107 4.529 7.120 -6.600 1.00 0.00 H new ATOM 1934 N ILE B 108 4.754 3.579 -5.999 1.00 0.00 N ATOM 1935 CA ILE B 108 5.854 2.647 -5.768 1.00 0.00 C ATOM 1936 C ILE B 108 6.280 1.984 -7.074 1.00 0.00 C ATOM 1937 O ILE B 108 5.443 1.644 -7.910 1.00 0.00 O ATOM 1938 CB ILE B 108 5.464 1.550 -4.750 1.00 0.00 C ATOM 1939 CG1 ILE B 108 5.195 2.164 -3.374 1.00 0.00 C ATOM 1940 CG2 ILE B 108 6.557 0.492 -4.660 1.00 0.00 C ATOM 1941 CD1 ILE B 108 4.731 1.159 -2.341 1.00 0.00 C ATOM 0 H ILE B 108 4.119 3.299 -6.747 1.00 0.00 H new ATOM 0 HA ILE B 108 6.684 3.225 -5.361 1.00 0.00 H new ATOM 0 HB ILE B 108 4.549 1.070 -5.096 1.00 0.00 H new ATOM 0 HG12 ILE B 108 6.105 2.646 -3.016 1.00 0.00 H new ATOM 0 HG13 ILE B 108 4.440 2.944 -3.475 1.00 0.00 H new ATOM 0 HG21 ILE B 108 6.266 -0.272 -3.939 1.00 0.00 H new ATOM 0 HG22 ILE B 108 6.700 0.032 -5.638 1.00 0.00 H new ATOM 0 HG23 ILE B 108 7.489 0.958 -4.338 1.00 0.00 H new ATOM 0 HD11 ILE B 108 4.560 1.666 -1.391 1.00 0.00 H new ATOM 0 HD12 ILE B 108 3.804 0.694 -2.676 1.00 0.00 H new ATOM 0 HD13 ILE B 108 5.495 0.392 -2.211 1.00 0.00 H new ATOM 1953 N GLN B 109 7.584 1.800 -7.245 1.00 0.00 N ATOM 1954 CA GLN B 109 8.115 1.173 -8.449 1.00 0.00 C ATOM 1955 C GLN B 109 9.372 0.371 -8.128 1.00 0.00 C ATOM 1956 O GLN B 109 10.351 0.913 -7.616 1.00 0.00 O ATOM 1957 CB GLN B 109 8.422 2.230 -9.509 1.00 0.00 C ATOM 1958 CG GLN B 109 8.826 1.646 -10.854 1.00 0.00 C ATOM 1959 CD GLN B 109 9.088 2.712 -11.899 1.00 0.00 C ATOM 1960 OE1 GLN B 109 9.510 3.822 -11.576 1.00 0.00 O ATOM 1961 NE2 GLN B 109 8.841 2.378 -13.160 1.00 0.00 N ATOM 0 H GLN B 109 8.293 2.076 -6.565 1.00 0.00 H new ATOM 0 HA GLN B 109 7.360 0.492 -8.841 1.00 0.00 H new ATOM 0 HB2 GLN B 109 7.544 2.861 -9.646 1.00 0.00 H new ATOM 0 HB3 GLN B 109 9.224 2.874 -9.147 1.00 0.00 H new ATOM 0 HG2 GLN B 109 9.722 1.039 -10.727 1.00 0.00 H new ATOM 0 HG3 GLN B 109 8.038 0.981 -11.208 1.00 0.00 H new ATOM 0 HE21 GLN B 109 8.492 1.446 -13.382 1.00 0.00 H new ATOM 0 HE22 GLN B 109 9.001 3.054 -13.907 1.00 0.00 H new ATOM 1970 N VAL B 110 9.338 -0.922 -8.434 1.00 0.00 N ATOM 1971 CA VAL B 110 10.474 -1.796 -8.172 1.00 0.00 C ATOM 1972 C VAL B 110 11.236 -2.107 -9.453 1.00 0.00 C ATOM 1973 O VAL B 110 10.677 -2.070 -10.548 1.00 0.00 O ATOM 1974 CB VAL B 110 10.030 -3.119 -7.522 1.00 0.00 C ATOM 1975 CG1 VAL B 110 11.234 -3.913 -7.039 1.00 0.00 C ATOM 1976 CG2 VAL B 110 9.069 -2.852 -6.376 1.00 0.00 C ATOM 0 H VAL B 110 8.537 -1.386 -8.863 1.00 0.00 H new ATOM 0 HA VAL B 110 11.128 -1.262 -7.482 1.00 0.00 H new ATOM 0 HB VAL B 110 9.512 -3.713 -8.274 1.00 0.00 H new ATOM 0 HG11 VAL B 110 10.897 -4.844 -6.583 1.00 0.00 H new ATOM 0 HG12 VAL B 110 11.885 -4.138 -7.884 1.00 0.00 H new ATOM 0 HG13 VAL B 110 11.785 -3.327 -6.303 1.00 0.00 H new ATOM 0 HG21 VAL B 110 8.765 -3.798 -5.928 1.00 0.00 H new ATOM 0 HG22 VAL B 110 9.562 -2.236 -5.624 1.00 0.00 H new ATOM 0 HG23 VAL B 110 8.189 -2.330 -6.753 1.00 0.00 H new ATOM 1986 N ARG B 111 12.520 -2.415 -9.304 1.00 0.00 N ATOM 1987 CA ARG B 111 13.369 -2.735 -10.441 1.00 0.00 C ATOM 1988 C ARG B 111 14.649 -3.433 -9.986 1.00 0.00 C ATOM 1989 O ARG B 111 14.664 -4.682 -9.966 1.00 0.00 O ATOM 1990 CB ARG B 111 13.713 -1.464 -11.212 1.00 0.00 C ATOM 1991 CG ARG B 111 13.000 -1.346 -12.540 1.00 0.00 C ATOM 1992 CD ARG B 111 13.418 -2.460 -13.468 1.00 0.00 C ATOM 1993 NE ARG B 111 12.797 -2.350 -14.785 1.00 0.00 N ATOM 1994 CZ ARG B 111 13.065 -3.170 -15.798 1.00 0.00 C ATOM 1995 NH1 ARG B 111 13.938 -4.157 -15.642 1.00 0.00 N ATOM 1996 NH2 ARG B 111 12.461 -3.003 -16.965 1.00 0.00 N ATOM 1997 OXT ARG B 111 15.622 -2.726 -9.653 1.00 0.00 O ATOM 0 H ARG B 111 12.995 -2.449 -8.402 1.00 0.00 H new ATOM 0 HA ARG B 111 12.822 -3.414 -11.095 1.00 0.00 H new ATOM 0 HB2 ARG B 111 13.464 -0.599 -10.598 1.00 0.00 H new ATOM 0 HB3 ARG B 111 14.789 -1.434 -11.384 1.00 0.00 H new ATOM 0 HG2 ARG B 111 11.922 -1.380 -12.384 1.00 0.00 H new ATOM 0 HG3 ARG B 111 13.226 -0.382 -12.996 1.00 0.00 H new ATOM 0 HD2 ARG B 111 14.502 -2.449 -13.579 1.00 0.00 H new ATOM 0 HD3 ARG B 111 13.152 -3.419 -13.023 1.00 0.00 H new ATOM 0 HE ARG B 111 12.120 -1.603 -14.937 1.00 0.00 H new ATOM 0 HH11 ARG B 111 14.405 -4.288 -14.745 1.00 0.00 H new ATOM 0 HH12 ARG B 111 14.142 -4.785 -16.420 1.00 0.00 H new ATOM 0 HH21 ARG B 111 11.790 -2.245 -17.088 1.00 0.00 H new ATOM 0 HH22 ARG B 111 12.667 -3.632 -17.741 1.00 0.00 H new