USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=16 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= 0.00231 USER MOD Single : B 14 SER OG : rot -59:sc= 1.13 USER MOD Single : B 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 THR OG1 : rot -28:sc= 0.272 USER MOD Single : B 20 GLN :FLIP amide:sc= -1.06 F(o=-2.2!,f=-1.1) USER MOD Single : B 22 GLN :FLIP amide:sc= -0.455 F(o=-2.4,f=-0.45) USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 30 SER OG : rot 34:sc= 0.251 USER MOD Single : B 31 ASN : amide:sc= -0.19 X(o=-0.19,f=0) USER MOD Single : B 33 THR OG1 : rot 180:sc= 0 USER MOD Single : B 34 THR OG1 : rot 103:sc= 1.04 USER MOD Single : B 42 ASN : amide:sc= 0.211 K(o=0.21,f=-1.1) 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 72 SER OG : rot 124:sc= 1.1 USER MOD Single : B 73 THR OG1 : rot 180:sc= 0 USER MOD Single : B 81 SER OG : rot 180:sc= -0.0138 USER MOD Single : B 90 TYR OH : rot 127:sc= 0.469 USER MOD Single : B 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 103 SER OG : rot 180:sc= 0 USER MOD Single : B 105 SER OG : rot -14:sc= 0.842 USER MOD Single : B 109 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD ----------------------------------------------------------------- ATOM 381 N VAL B 5 12.185 1.426 4.064 1.00 0.00 N ATOM 382 CA VAL B 5 12.133 1.392 5.528 1.00 0.00 C ATOM 383 C VAL B 5 10.932 2.162 6.075 1.00 0.00 C ATOM 384 O VAL B 5 10.007 2.501 5.335 1.00 0.00 O ATOM 385 CB VAL B 5 13.435 1.939 6.159 1.00 0.00 C ATOM 386 CG1 VAL B 5 14.645 1.284 5.514 1.00 0.00 C ATOM 387 CG2 VAL B 5 13.518 3.454 6.050 1.00 0.00 C ATOM 0 HA VAL B 5 12.024 0.344 5.806 1.00 0.00 H new ATOM 0 HB VAL B 5 13.424 1.691 7.220 1.00 0.00 H new ATOM 0 HG11 VAL B 5 15.556 1.677 5.966 1.00 0.00 H new ATOM 0 HG12 VAL B 5 14.600 0.206 5.667 1.00 0.00 H new ATOM 0 HG13 VAL B 5 14.649 1.499 4.445 1.00 0.00 H new ATOM 0 HG21 VAL B 5 14.446 3.801 6.504 1.00 0.00 H new ATOM 0 HG22 VAL B 5 13.497 3.745 5.000 1.00 0.00 H new ATOM 0 HG23 VAL B 5 12.671 3.903 6.568 1.00 0.00 H new ATOM 397 N THR B 6 10.945 2.419 7.379 1.00 0.00 N ATOM 398 CA THR B 6 9.860 3.140 8.027 1.00 0.00 C ATOM 399 C THR B 6 9.905 4.630 7.700 1.00 0.00 C ATOM 400 O THR B 6 10.943 5.160 7.305 1.00 0.00 O ATOM 401 CB THR B 6 9.912 2.968 9.555 1.00 0.00 C ATOM 402 OG1 THR B 6 10.349 1.643 9.885 1.00 0.00 O ATOM 403 CG2 THR B 6 8.547 3.220 10.172 1.00 0.00 C ATOM 0 H THR B 6 11.698 2.137 8.007 1.00 0.00 H new ATOM 0 HA THR B 6 8.931 2.716 7.644 1.00 0.00 H new ATOM 0 HB THR B 6 10.618 3.695 9.956 1.00 0.00 H new ATOM 0 HG1 THR B 6 10.381 1.542 10.859 1.00 0.00 H new ATOM 0 HG21 THR B 6 8.607 3.093 11.253 1.00 0.00 H new ATOM 0 HG22 THR B 6 8.226 4.236 9.943 1.00 0.00 H new ATOM 0 HG23 THR B 6 7.826 2.512 9.763 1.00 0.00 H new ATOM 411 N LEU B 7 8.766 5.296 7.867 1.00 0.00 N ATOM 412 CA LEU B 7 8.664 6.727 7.601 1.00 0.00 C ATOM 413 C LEU B 7 7.452 7.319 8.314 1.00 0.00 C ATOM 414 O LEU B 7 6.869 6.685 9.194 1.00 0.00 O ATOM 415 CB LEU B 7 8.573 6.996 6.095 1.00 0.00 C ATOM 416 CG LEU B 7 7.257 6.586 5.429 1.00 0.00 C ATOM 417 CD1 LEU B 7 7.105 7.280 4.083 1.00 0.00 C ATOM 418 CD2 LEU B 7 7.185 5.076 5.265 1.00 0.00 C ATOM 0 H LEU B 7 7.898 4.866 8.186 1.00 0.00 H new ATOM 0 HA LEU B 7 9.565 7.207 7.984 1.00 0.00 H new ATOM 0 HB2 LEU B 7 8.730 8.061 5.924 1.00 0.00 H new ATOM 0 HB3 LEU B 7 9.389 6.470 5.600 1.00 0.00 H new ATOM 0 HG LEU B 7 6.434 6.897 6.073 1.00 0.00 H new ATOM 0 HD11 LEU B 7 6.164 6.978 3.622 1.00 0.00 H new ATOM 0 HD12 LEU B 7 7.108 8.360 4.228 1.00 0.00 H new ATOM 0 HD13 LEU B 7 7.934 6.999 3.433 1.00 0.00 H new ATOM 0 HD21 LEU B 7 6.242 4.806 4.790 1.00 0.00 H new ATOM 0 HD22 LEU B 7 8.014 4.738 4.644 1.00 0.00 H new ATOM 0 HD23 LEU B 7 7.247 4.600 6.244 1.00 0.00 H new ATOM 430 N ASP B 8 7.076 8.536 7.933 1.00 0.00 N ATOM 431 CA ASP B 8 5.933 9.207 8.544 1.00 0.00 C ATOM 432 C ASP B 8 5.379 10.298 7.631 1.00 0.00 C ATOM 433 O ASP B 8 4.166 10.487 7.542 1.00 0.00 O ATOM 434 CB ASP B 8 6.331 9.808 9.893 1.00 0.00 C ATOM 435 CG ASP B 8 5.172 10.505 10.578 1.00 0.00 C ATOM 436 OD1 ASP B 8 4.449 9.839 11.349 1.00 0.00 O ATOM 437 OD2 ASP B 8 4.989 11.720 10.346 1.00 0.00 O ATOM 0 H ASP B 8 7.545 9.077 7.206 1.00 0.00 H new ATOM 0 HA ASP B 8 5.152 8.463 8.699 1.00 0.00 H new ATOM 0 HB2 ASP B 8 6.712 9.019 10.541 1.00 0.00 H new ATOM 0 HB3 ASP B 8 7.144 10.519 9.746 1.00 0.00 H new ATOM 442 N ASP B 9 6.274 11.011 6.955 1.00 0.00 N ATOM 443 CA ASP B 9 5.870 12.085 6.055 1.00 0.00 C ATOM 444 C ASP B 9 5.252 11.522 4.778 1.00 0.00 C ATOM 445 O ASP B 9 5.874 10.727 4.074 1.00 0.00 O ATOM 446 CB ASP B 9 7.072 12.969 5.710 1.00 0.00 C ATOM 447 CG ASP B 9 6.680 14.179 4.883 1.00 0.00 C ATOM 448 OD1 ASP B 9 6.608 14.051 3.642 1.00 0.00 O ATOM 449 OD2 ASP B 9 6.445 15.253 5.476 1.00 0.00 O ATOM 0 H ASP B 9 7.282 10.865 7.013 1.00 0.00 H new ATOM 0 HA ASP B 9 5.119 12.689 6.564 1.00 0.00 H new ATOM 0 HB2 ASP B 9 7.552 13.301 6.631 1.00 0.00 H new ATOM 0 HB3 ASP B 9 7.807 12.380 5.162 1.00 0.00 H new ATOM 454 N ALA B 10 4.024 11.941 4.487 1.00 0.00 N ATOM 455 CA ALA B 10 3.320 11.477 3.298 1.00 0.00 C ATOM 456 C ALA B 10 3.722 12.285 2.069 1.00 0.00 C ATOM 457 O ALA B 10 4.426 13.289 2.179 1.00 0.00 O ATOM 458 CB ALA B 10 1.815 11.554 3.512 1.00 0.00 C ATOM 0 H ALA B 10 3.497 12.601 5.059 1.00 0.00 H new ATOM 0 HA ALA B 10 3.600 10.438 3.124 1.00 0.00 H new ATOM 0 HB1 ALA B 10 1.302 11.205 2.616 1.00 0.00 H new ATOM 0 HB2 ALA B 10 1.535 10.927 4.358 1.00 0.00 H new ATOM 0 HB3 ALA B 10 1.529 12.586 3.715 1.00 0.00 H new ATOM 464 N ASP B 11 3.265 11.834 0.897 1.00 0.00 N ATOM 465 CA ASP B 11 3.563 12.494 -0.367 1.00 0.00 C ATOM 466 C ASP B 11 5.059 12.463 -0.697 1.00 0.00 C ATOM 467 O ASP B 11 5.450 12.688 -1.844 1.00 0.00 O ATOM 468 CB ASP B 11 3.058 13.927 -0.314 1.00 0.00 C ATOM 469 CG ASP B 11 3.608 14.792 -1.431 1.00 0.00 C ATOM 470 OD1 ASP B 11 4.663 15.428 -1.225 1.00 0.00 O ATOM 471 OD2 ASP B 11 2.983 14.833 -2.511 1.00 0.00 O ATOM 0 H ASP B 11 2.680 11.003 0.803 1.00 0.00 H new ATOM 0 HA ASP B 11 3.054 11.950 -1.163 1.00 0.00 H new ATOM 0 HB2 ASP B 11 1.969 13.925 -0.367 1.00 0.00 H new ATOM 0 HB3 ASP B 11 3.330 14.367 0.646 1.00 0.00 H new ATOM 476 N ASP B 12 5.888 12.177 0.301 1.00 0.00 N ATOM 477 CA ASP B 12 7.330 12.113 0.098 1.00 0.00 C ATOM 478 C ASP B 12 7.719 10.764 -0.494 1.00 0.00 C ATOM 479 O ASP B 12 8.899 10.468 -0.679 1.00 0.00 O ATOM 480 CB ASP B 12 8.062 12.336 1.425 1.00 0.00 C ATOM 481 CG ASP B 12 9.566 12.428 1.253 1.00 0.00 C ATOM 482 OD1 ASP B 12 10.249 11.401 1.449 1.00 0.00 O ATOM 483 OD2 ASP B 12 10.061 13.527 0.924 1.00 0.00 O ATOM 0 H ASP B 12 5.587 11.986 1.257 1.00 0.00 H new ATOM 0 HA ASP B 12 7.619 12.899 -0.599 1.00 0.00 H new ATOM 0 HB2 ASP B 12 7.696 13.253 1.888 1.00 0.00 H new ATOM 0 HB3 ASP B 12 7.827 11.519 2.107 1.00 0.00 H new ATOM 488 N CYS B 13 6.709 9.954 -0.795 1.00 0.00 N ATOM 489 CA CYS B 13 6.935 8.630 -1.361 1.00 0.00 C ATOM 490 C CYS B 13 7.221 8.710 -2.859 1.00 0.00 C ATOM 491 O CYS B 13 8.375 8.640 -3.277 1.00 0.00 O ATOM 492 CB CYS B 13 5.724 7.729 -1.114 1.00 0.00 C ATOM 493 SG CYS B 13 5.385 7.401 0.646 1.00 0.00 S ATOM 0 H CYS B 13 5.727 10.192 -0.656 1.00 0.00 H new ATOM 0 HA CYS B 13 7.807 8.203 -0.866 1.00 0.00 H new ATOM 0 HB2 CYS B 13 4.844 8.191 -1.562 1.00 0.00 H new ATOM 0 HB3 CYS B 13 5.881 6.779 -1.625 1.00 0.00 H new ATOM 498 N SER B 14 6.157 8.840 -3.654 1.00 0.00 N ATOM 499 CA SER B 14 6.275 8.922 -5.107 1.00 0.00 C ATOM 500 C SER B 14 6.805 7.601 -5.647 1.00 0.00 C ATOM 501 O SER B 14 7.339 6.803 -4.881 1.00 0.00 O ATOM 502 CB SER B 14 7.192 10.079 -5.523 1.00 0.00 C ATOM 503 OG SER B 14 8.556 9.707 -5.462 1.00 0.00 O ATOM 0 H SER B 14 5.198 8.891 -3.310 1.00 0.00 H new ATOM 0 HA SER B 14 5.288 9.115 -5.528 1.00 0.00 H new ATOM 0 HB2 SER B 14 6.945 10.394 -6.537 1.00 0.00 H new ATOM 0 HB3 SER B 14 7.018 10.935 -4.871 1.00 0.00 H new ATOM 0 HG SER B 14 8.778 9.427 -4.550 1.00 0.00 H new ATOM 509 N PRO B 15 6.649 7.337 -6.959 1.00 0.00 N ATOM 510 CA PRO B 15 7.126 6.091 -7.575 1.00 0.00 C ATOM 511 C PRO B 15 8.581 5.790 -7.230 1.00 0.00 C ATOM 512 O PRO B 15 9.478 5.981 -8.053 1.00 0.00 O ATOM 513 CB PRO B 15 6.970 6.354 -9.072 1.00 0.00 C ATOM 514 CG PRO B 15 5.854 7.335 -9.159 1.00 0.00 C ATOM 515 CD PRO B 15 5.989 8.216 -7.945 1.00 0.00 C ATOM 0 HA PRO B 15 6.570 5.223 -7.222 1.00 0.00 H new ATOM 0 HB2 PRO B 15 7.887 6.756 -9.503 1.00 0.00 H new ATOM 0 HB3 PRO B 15 6.737 5.438 -9.615 1.00 0.00 H new ATOM 0 HG2 PRO B 15 5.918 7.920 -10.076 1.00 0.00 H new ATOM 0 HG3 PRO B 15 4.888 6.829 -9.170 1.00 0.00 H new ATOM 0 HD2 PRO B 15 6.586 9.103 -8.156 1.00 0.00 H new ATOM 0 HD3 PRO B 15 5.019 8.562 -7.589 1.00 0.00 H new ATOM 523 N LEU B 16 8.809 5.331 -6.002 1.00 0.00 N ATOM 524 CA LEU B 16 10.147 5.004 -5.538 1.00 0.00 C ATOM 525 C LEU B 16 10.839 4.016 -6.458 1.00 0.00 C ATOM 526 O LEU B 16 10.228 3.443 -7.359 1.00 0.00 O ATOM 527 CB LEU B 16 10.099 4.433 -4.124 1.00 0.00 C ATOM 528 CG LEU B 16 10.282 5.470 -3.025 1.00 0.00 C ATOM 529 CD1 LEU B 16 9.793 4.934 -1.688 1.00 0.00 C ATOM 530 CD2 LEU B 16 11.737 5.898 -2.941 1.00 0.00 C ATOM 0 H LEU B 16 8.076 5.178 -5.309 1.00 0.00 H new ATOM 0 HA LEU B 16 10.721 5.931 -5.539 1.00 0.00 H new ATOM 0 HB2 LEU B 16 9.142 3.932 -3.979 1.00 0.00 H new ATOM 0 HB3 LEU B 16 10.875 3.674 -4.024 1.00 0.00 H new ATOM 0 HG LEU B 16 9.681 6.345 -3.272 1.00 0.00 H new ATOM 0 HD11 LEU B 16 9.934 5.693 -0.918 1.00 0.00 H new ATOM 0 HD12 LEU B 16 8.735 4.684 -1.761 1.00 0.00 H new ATOM 0 HD13 LEU B 16 10.359 4.041 -1.425 1.00 0.00 H new ATOM 0 HD21 LEU B 16 11.853 6.640 -2.151 1.00 0.00 H new ATOM 0 HD22 LEU B 16 12.359 5.031 -2.719 1.00 0.00 H new ATOM 0 HD23 LEU B 16 12.044 6.331 -3.893 1.00 0.00 H new ATOM 542 N LYS B 17 12.124 3.824 -6.207 1.00 0.00 N ATOM 543 CA LYS B 17 12.934 2.904 -6.995 1.00 0.00 C ATOM 544 C LYS B 17 13.422 1.749 -6.128 1.00 0.00 C ATOM 545 O LYS B 17 14.506 1.809 -5.547 1.00 0.00 O ATOM 546 CB LYS B 17 14.128 3.631 -7.620 1.00 0.00 C ATOM 547 CG LYS B 17 13.740 4.683 -8.647 1.00 0.00 C ATOM 548 CD LYS B 17 13.241 5.961 -7.989 1.00 0.00 C ATOM 549 CE LYS B 17 12.898 7.024 -9.021 1.00 0.00 C ATOM 550 NZ LYS B 17 12.414 8.280 -8.383 1.00 0.00 N ATOM 0 H LYS B 17 12.633 4.296 -5.459 1.00 0.00 H new ATOM 0 HA LYS B 17 12.312 2.506 -7.797 1.00 0.00 H new ATOM 0 HB2 LYS B 17 14.706 4.107 -6.828 1.00 0.00 H new ATOM 0 HB3 LYS B 17 14.780 2.897 -8.094 1.00 0.00 H new ATOM 0 HG2 LYS B 17 14.600 4.911 -9.276 1.00 0.00 H new ATOM 0 HG3 LYS B 17 12.964 4.284 -9.300 1.00 0.00 H new ATOM 0 HD2 LYS B 17 12.360 5.741 -7.386 1.00 0.00 H new ATOM 0 HD3 LYS B 17 14.004 6.344 -7.311 1.00 0.00 H new ATOM 0 HE2 LYS B 17 13.778 7.240 -9.626 1.00 0.00 H new ATOM 0 HE3 LYS B 17 12.133 6.641 -9.696 1.00 0.00 H new ATOM 0 HZ1 LYS B 17 12.191 8.980 -9.119 1.00 0.00 H new ATOM 0 HZ2 LYS B 17 11.559 8.079 -7.826 1.00 0.00 H new ATOM 0 HZ3 LYS B 17 13.154 8.659 -7.758 1.00 0.00 H new ATOM 564 N LEU B 18 12.608 0.703 -6.037 1.00 0.00 N ATOM 565 CA LEU B 18 12.954 -0.464 -5.234 1.00 0.00 C ATOM 566 C LEU B 18 13.527 -1.581 -6.096 1.00 0.00 C ATOM 567 O LEU B 18 13.739 -1.412 -7.298 1.00 0.00 O ATOM 568 CB LEU B 18 11.727 -0.976 -4.477 1.00 0.00 C ATOM 569 CG LEU B 18 11.427 -0.275 -3.162 1.00 0.00 C ATOM 570 CD1 LEU B 18 11.299 1.229 -3.359 1.00 0.00 C ATOM 571 CD2 LEU B 18 10.165 -0.844 -2.535 1.00 0.00 C ATOM 0 H LEU B 18 11.706 0.639 -6.508 1.00 0.00 H new ATOM 0 HA LEU B 18 13.717 -0.156 -4.519 1.00 0.00 H new ATOM 0 HB2 LEU B 18 10.856 -0.881 -5.126 1.00 0.00 H new ATOM 0 HB3 LEU B 18 11.862 -2.039 -4.279 1.00 0.00 H new ATOM 0 HG LEU B 18 12.262 -0.453 -2.484 1.00 0.00 H new ATOM 0 HD11 LEU B 18 11.084 1.704 -2.402 1.00 0.00 H new ATOM 0 HD12 LEU B 18 12.233 1.624 -3.759 1.00 0.00 H new ATOM 0 HD13 LEU B 18 10.488 1.437 -4.057 1.00 0.00 H new ATOM 0 HD21 LEU B 18 9.963 -0.332 -1.594 1.00 0.00 H new ATOM 0 HD22 LEU B 18 9.325 -0.700 -3.214 1.00 0.00 H new ATOM 0 HD23 LEU B 18 10.301 -1.909 -2.347 1.00 0.00 H new ATOM 583 N THR B 19 13.767 -2.725 -5.466 1.00 0.00 N ATOM 584 CA THR B 19 14.315 -3.886 -6.146 1.00 0.00 C ATOM 585 C THR B 19 14.091 -5.134 -5.305 1.00 0.00 C ATOM 586 O THR B 19 13.908 -5.049 -4.090 1.00 0.00 O ATOM 587 CB THR B 19 15.825 -3.729 -6.416 1.00 0.00 C ATOM 588 OG1 THR B 19 16.095 -2.444 -6.989 1.00 0.00 O ATOM 589 CG2 THR B 19 16.326 -4.817 -7.355 1.00 0.00 C ATOM 0 H THR B 19 13.587 -2.871 -4.473 1.00 0.00 H new ATOM 0 HA THR B 19 13.801 -3.977 -7.103 1.00 0.00 H new ATOM 0 HB THR B 19 16.347 -3.820 -5.464 1.00 0.00 H new ATOM 0 HG1 THR B 19 15.309 -2.137 -7.488 1.00 0.00 H new ATOM 0 HG21 THR B 19 17.394 -4.684 -7.529 1.00 0.00 H new ATOM 0 HG22 THR B 19 16.151 -5.794 -6.906 1.00 0.00 H new ATOM 0 HG23 THR B 19 15.793 -4.753 -8.303 1.00 0.00 H new ATOM 597 N GLN B 20 14.101 -6.287 -5.957 1.00 0.00 N ATOM 598 CA GLN B 20 13.904 -7.559 -5.271 1.00 0.00 C ATOM 599 C GLN B 20 14.843 -7.680 -4.077 1.00 0.00 C ATOM 600 O GLN B 20 16.023 -7.999 -4.228 1.00 0.00 O ATOM 601 CB GLN B 20 14.125 -8.721 -6.241 1.00 0.00 C ATOM 602 CG GLN B 20 13.131 -8.742 -7.389 1.00 0.00 C ATOM 603 CD GLN B 20 13.496 -9.746 -8.465 1.00 0.00 C ATOM 604 OE1 GLN B 20 12.486 -10.261 -9.157 1.00 0.00 O flip ATOM 605 NE2 GLN B 20 14.670 -10.050 -8.675 1.00 0.00 N flip ATOM 0 H GLN B 20 14.244 -6.370 -6.964 1.00 0.00 H new ATOM 0 HA GLN B 20 12.878 -7.597 -4.904 1.00 0.00 H new ATOM 0 HB2 GLN B 20 15.135 -8.661 -6.645 1.00 0.00 H new ATOM 0 HB3 GLN B 20 14.057 -9.661 -5.693 1.00 0.00 H new ATOM 0 HG2 GLN B 20 12.140 -8.977 -7.001 1.00 0.00 H new ATOM 0 HG3 GLN B 20 13.073 -7.747 -7.831 1.00 0.00 H new ATOM 0 HE21 GLN B 20 15.413 -9.629 -8.118 1.00 0.00 H new ATOM 0 HE22 GLN B 20 14.900 -10.723 -9.406 1.00 0.00 H new ATOM 614 N GLY B 21 14.308 -7.413 -2.890 1.00 0.00 N ATOM 615 CA GLY B 21 15.105 -7.479 -1.679 1.00 0.00 C ATOM 616 C GLY B 21 15.004 -6.204 -0.864 1.00 0.00 C ATOM 617 O GLY B 21 15.868 -5.918 -0.034 1.00 0.00 O ATOM 0 H GLY B 21 13.333 -7.151 -2.745 1.00 0.00 H new ATOM 0 HA2 GLY B 21 14.776 -8.324 -1.074 1.00 0.00 H new ATOM 0 HA3 GLY B 21 16.147 -7.661 -1.940 1.00 0.00 H new ATOM 621 N GLN B 22 13.944 -5.436 -1.106 1.00 0.00 N ATOM 622 CA GLN B 22 13.718 -4.188 -0.404 1.00 0.00 C ATOM 623 C GLN B 22 12.621 -4.358 0.631 1.00 0.00 C ATOM 624 O GLN B 22 11.902 -5.358 0.626 1.00 0.00 O ATOM 625 CB GLN B 22 13.348 -3.087 -1.396 1.00 0.00 C ATOM 626 CG GLN B 22 14.558 -2.386 -1.984 1.00 0.00 C ATOM 627 CD GLN B 22 15.440 -1.784 -0.910 1.00 0.00 C ATOM 628 OE1 GLN B 22 14.830 -1.429 0.218 1.00 0.00 O flip ATOM 629 NE2 GLN B 22 16.651 -1.650 -1.086 1.00 0.00 N flip ATOM 0 H GLN B 22 13.225 -5.665 -1.792 1.00 0.00 H new ATOM 0 HA GLN B 22 14.636 -3.902 0.109 1.00 0.00 H new ATOM 0 HB2 GLN B 22 12.757 -3.518 -2.204 1.00 0.00 H new ATOM 0 HB3 GLN B 22 12.717 -2.352 -0.896 1.00 0.00 H new ATOM 0 HG2 GLN B 22 15.138 -3.096 -2.574 1.00 0.00 H new ATOM 0 HG3 GLN B 22 14.228 -1.601 -2.664 1.00 0.00 H new ATOM 0 HE21 GLN B 22 17.073 -1.937 -1.969 1.00 0.00 H new ATOM 0 HE22 GLN B 22 17.232 -1.252 -0.349 1.00 0.00 H new ATOM 638 N GLU B 23 12.490 -3.382 1.519 1.00 0.00 N ATOM 639 CA GLU B 23 11.474 -3.462 2.567 1.00 0.00 C ATOM 640 C GLU B 23 10.816 -2.126 2.866 1.00 0.00 C ATOM 641 O GLU B 23 11.463 -1.186 3.324 1.00 0.00 O ATOM 642 CB GLU B 23 12.088 -4.016 3.845 1.00 0.00 C ATOM 643 CG GLU B 23 12.657 -5.403 3.662 1.00 0.00 C ATOM 644 CD GLU B 23 13.500 -5.854 4.839 1.00 0.00 C ATOM 645 OE1 GLU B 23 14.722 -5.598 4.829 1.00 0.00 O ATOM 646 OE2 GLU B 23 12.936 -6.463 5.773 1.00 0.00 O ATOM 0 H GLU B 23 13.062 -2.538 1.539 1.00 0.00 H new ATOM 0 HA GLU B 23 10.697 -4.129 2.194 1.00 0.00 H new ATOM 0 HB2 GLU B 23 12.877 -3.345 4.185 1.00 0.00 H new ATOM 0 HB3 GLU B 23 11.330 -4.039 4.628 1.00 0.00 H new ATOM 0 HG2 GLU B 23 11.840 -6.109 3.515 1.00 0.00 H new ATOM 0 HG3 GLU B 23 13.264 -5.425 2.757 1.00 0.00 H new ATOM 653 N LEU B 24 9.513 -2.070 2.628 1.00 0.00 N ATOM 654 CA LEU B 24 8.735 -0.868 2.893 1.00 0.00 C ATOM 655 C LEU B 24 8.056 -0.980 4.251 1.00 0.00 C ATOM 656 O LEU B 24 7.189 -1.831 4.456 1.00 0.00 O ATOM 657 CB LEU B 24 7.687 -0.649 1.799 1.00 0.00 C ATOM 658 CG LEU B 24 6.696 0.488 2.073 1.00 0.00 C ATOM 659 CD1 LEU B 24 7.426 1.817 2.207 1.00 0.00 C ATOM 660 CD2 LEU B 24 5.652 0.560 0.970 1.00 0.00 C ATOM 0 H LEU B 24 8.971 -2.847 2.250 1.00 0.00 H new ATOM 0 HA LEU B 24 9.410 -0.012 2.898 1.00 0.00 H new ATOM 0 HB2 LEU B 24 8.201 -0.445 0.860 1.00 0.00 H new ATOM 0 HB3 LEU B 24 7.127 -1.574 1.662 1.00 0.00 H new ATOM 0 HG LEU B 24 6.189 0.282 3.015 1.00 0.00 H new ATOM 0 HD11 LEU B 24 6.704 2.611 2.401 1.00 0.00 H new ATOM 0 HD12 LEU B 24 8.135 1.761 3.033 1.00 0.00 H new ATOM 0 HD13 LEU B 24 7.962 2.032 1.283 1.00 0.00 H new ATOM 0 HD21 LEU B 24 4.956 1.372 1.180 1.00 0.00 H new ATOM 0 HD22 LEU B 24 6.144 0.742 0.015 1.00 0.00 H new ATOM 0 HD23 LEU B 24 5.106 -0.382 0.924 1.00 0.00 H new ATOM 672 N VAL B 25 8.464 -0.123 5.180 1.00 0.00 N ATOM 673 CA VAL B 25 7.905 -0.132 6.525 1.00 0.00 C ATOM 674 C VAL B 25 7.213 1.191 6.839 1.00 0.00 C ATOM 675 O VAL B 25 7.489 2.211 6.206 1.00 0.00 O ATOM 676 CB VAL B 25 9.002 -0.398 7.577 1.00 0.00 C ATOM 677 CG1 VAL B 25 8.391 -0.618 8.954 1.00 0.00 C ATOM 678 CG2 VAL B 25 9.856 -1.591 7.166 1.00 0.00 C ATOM 0 H VAL B 25 9.180 0.587 5.026 1.00 0.00 H new ATOM 0 HA VAL B 25 7.170 -0.936 6.566 1.00 0.00 H new ATOM 0 HB VAL B 25 9.644 0.481 7.632 1.00 0.00 H new ATOM 0 HG11 VAL B 25 9.184 -0.804 9.678 1.00 0.00 H new ATOM 0 HG12 VAL B 25 7.830 0.269 9.249 1.00 0.00 H new ATOM 0 HG13 VAL B 25 7.721 -1.477 8.922 1.00 0.00 H new ATOM 0 HG21 VAL B 25 10.625 -1.765 7.919 1.00 0.00 H new ATOM 0 HG22 VAL B 25 9.226 -2.477 7.079 1.00 0.00 H new ATOM 0 HG23 VAL B 25 10.329 -1.386 6.205 1.00 0.00 H new ATOM 688 N LEU B 26 6.304 1.168 7.810 1.00 0.00 N ATOM 689 CA LEU B 26 5.577 2.369 8.207 1.00 0.00 C ATOM 690 C LEU B 26 4.852 2.157 9.533 1.00 0.00 C ATOM 691 O LEU B 26 4.403 1.052 9.837 1.00 0.00 O ATOM 692 CB LEU B 26 4.576 2.770 7.120 1.00 0.00 C ATOM 693 CG LEU B 26 3.704 3.986 7.452 1.00 0.00 C ATOM 694 CD1 LEU B 26 4.560 5.233 7.613 1.00 0.00 C ATOM 695 CD2 LEU B 26 2.651 4.194 6.372 1.00 0.00 C ATOM 0 H LEU B 26 6.054 0.331 8.336 1.00 0.00 H new ATOM 0 HA LEU B 26 6.301 3.173 8.337 1.00 0.00 H new ATOM 0 HB2 LEU B 26 5.125 2.977 6.201 1.00 0.00 H new ATOM 0 HB3 LEU B 26 3.924 1.920 6.917 1.00 0.00 H new ATOM 0 HG LEU B 26 3.196 3.798 8.398 1.00 0.00 H new ATOM 0 HD11 LEU B 26 3.922 6.085 7.848 1.00 0.00 H new ATOM 0 HD12 LEU B 26 5.275 5.081 8.421 1.00 0.00 H new ATOM 0 HD13 LEU B 26 5.097 5.428 6.685 1.00 0.00 H new ATOM 0 HD21 LEU B 26 2.040 5.061 6.622 1.00 0.00 H new ATOM 0 HD22 LEU B 26 3.141 4.360 5.413 1.00 0.00 H new ATOM 0 HD23 LEU B 26 2.017 3.310 6.307 1.00 0.00 H new ATOM 707 N THR B 27 4.743 3.224 10.319 1.00 0.00 N ATOM 708 CA THR B 27 4.073 3.159 11.613 1.00 0.00 C ATOM 709 C THR B 27 3.210 4.395 11.844 1.00 0.00 C ATOM 710 O THR B 27 3.656 5.524 11.641 1.00 0.00 O ATOM 711 CB THR B 27 5.089 3.034 12.765 1.00 0.00 C ATOM 712 OG1 THR B 27 5.919 1.882 12.565 1.00 0.00 O ATOM 713 CG2 THR B 27 4.381 2.922 14.108 1.00 0.00 C ATOM 0 H THR B 27 5.111 4.145 10.082 1.00 0.00 H new ATOM 0 HA THR B 27 3.440 2.272 11.599 1.00 0.00 H new ATOM 0 HB THR B 27 5.705 3.933 12.770 1.00 0.00 H new ATOM 0 HG1 THR B 27 6.563 1.811 13.301 1.00 0.00 H new ATOM 0 HG21 THR B 27 5.121 2.835 14.903 1.00 0.00 H new ATOM 0 HG22 THR B 27 3.773 3.811 14.274 1.00 0.00 H new ATOM 0 HG23 THR B 27 3.741 2.039 14.110 1.00 0.00 H new ATOM 721 N LEU B 28 1.968 4.174 12.270 1.00 0.00 N ATOM 722 CA LEU B 28 1.041 5.271 12.527 1.00 0.00 C ATOM 723 C LEU B 28 0.274 5.042 13.830 1.00 0.00 C ATOM 724 O LEU B 28 -0.315 3.980 14.028 1.00 0.00 O ATOM 725 CB LEU B 28 0.057 5.418 11.364 1.00 0.00 C ATOM 726 CG LEU B 28 0.697 5.737 10.007 1.00 0.00 C ATOM 727 CD1 LEU B 28 -0.354 5.714 8.906 1.00 0.00 C ATOM 728 CD2 LEU B 28 1.396 7.088 10.051 1.00 0.00 C ATOM 0 H LEU B 28 1.582 3.246 12.444 1.00 0.00 H new ATOM 0 HA LEU B 28 1.621 6.189 12.623 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -0.513 4.493 11.271 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -0.654 6.207 11.608 1.00 0.00 H new ATOM 0 HG LEU B 28 1.443 4.973 9.788 1.00 0.00 H new ATOM 0 HD11 LEU B 28 0.116 5.942 7.949 1.00 0.00 H new ATOM 0 HD12 LEU B 28 -0.810 4.725 8.859 1.00 0.00 H new ATOM 0 HD13 LEU B 28 -1.121 6.458 9.120 1.00 0.00 H new ATOM 0 HD21 LEU B 28 1.844 7.298 9.080 1.00 0.00 H new ATOM 0 HD22 LEU B 28 0.671 7.865 10.291 1.00 0.00 H new ATOM 0 HD23 LEU B 28 2.175 7.070 10.814 1.00 0.00 H new ATOM 740 N PRO B 29 0.272 6.037 14.740 1.00 0.00 N ATOM 741 CA PRO B 29 -0.429 5.929 16.026 1.00 0.00 C ATOM 742 C PRO B 29 -1.937 5.788 15.852 1.00 0.00 C ATOM 743 O PRO B 29 -2.521 6.349 14.925 1.00 0.00 O ATOM 744 CB PRO B 29 -0.098 7.247 16.740 1.00 0.00 C ATOM 745 CG PRO B 29 1.083 7.801 16.017 1.00 0.00 C ATOM 746 CD PRO B 29 0.950 7.337 14.596 1.00 0.00 C ATOM 0 HA PRO B 29 -0.117 5.043 16.579 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -0.941 7.937 16.703 1.00 0.00 H new ATOM 0 HB3 PRO B 29 0.129 7.078 17.793 1.00 0.00 H new ATOM 0 HG2 PRO B 29 1.100 8.889 16.073 1.00 0.00 H new ATOM 0 HG3 PRO B 29 2.014 7.445 16.459 1.00 0.00 H new ATOM 0 HD2 PRO B 29 0.365 8.034 13.996 1.00 0.00 H new ATOM 0 HD3 PRO B 29 1.921 7.235 14.111 1.00 0.00 H new ATOM 754 N SER B 30 -2.561 5.034 16.751 1.00 0.00 N ATOM 755 CA SER B 30 -4.004 4.819 16.703 1.00 0.00 C ATOM 756 C SER B 30 -4.568 4.626 18.106 1.00 0.00 C ATOM 757 O SER B 30 -4.152 3.725 18.835 1.00 0.00 O ATOM 758 CB SER B 30 -4.334 3.601 15.835 1.00 0.00 C ATOM 759 OG SER B 30 -3.734 2.428 16.355 1.00 0.00 O ATOM 0 H SER B 30 -2.090 4.561 17.522 1.00 0.00 H new ATOM 0 HA SER B 30 -4.464 5.703 16.262 1.00 0.00 H new ATOM 0 HB2 SER B 30 -5.415 3.469 15.784 1.00 0.00 H new ATOM 0 HB3 SER B 30 -3.985 3.771 14.816 1.00 0.00 H new ATOM 0 HG SER B 30 -3.713 2.477 17.334 1.00 0.00 H new ATOM 765 N ASN B 31 -5.518 5.480 18.479 1.00 0.00 N ATOM 766 CA ASN B 31 -6.141 5.407 19.797 1.00 0.00 C ATOM 767 C ASN B 31 -6.846 4.064 19.993 1.00 0.00 C ATOM 768 O ASN B 31 -7.841 3.779 19.323 1.00 0.00 O ATOM 769 CB ASN B 31 -7.141 6.550 19.973 1.00 0.00 C ATOM 770 CG ASN B 31 -6.488 7.913 19.852 1.00 0.00 C ATOM 771 OD1 ASN B 31 -6.028 8.485 20.842 1.00 0.00 O ATOM 772 ND2 ASN B 31 -6.445 8.443 18.635 1.00 0.00 N ATOM 0 H ASN B 31 -5.873 6.231 17.887 1.00 0.00 H new ATOM 0 HA ASN B 31 -5.357 5.499 20.549 1.00 0.00 H new ATOM 0 HB2 ASN B 31 -7.928 6.459 19.224 1.00 0.00 H new ATOM 0 HB3 ASN B 31 -7.619 6.464 20.949 1.00 0.00 H new ATOM 0 HD21 ASN B 31 -6.019 9.359 18.492 1.00 0.00 H new ATOM 0 HD22 ASN B 31 -6.838 7.934 17.843 1.00 0.00 H new ATOM 779 N PRO B 32 -6.342 3.217 20.912 1.00 0.00 N ATOM 780 CA PRO B 32 -6.938 1.902 21.183 1.00 0.00 C ATOM 781 C PRO B 32 -8.391 2.008 21.635 1.00 0.00 C ATOM 782 O PRO B 32 -8.741 2.876 22.436 1.00 0.00 O ATOM 783 CB PRO B 32 -6.070 1.331 22.310 1.00 0.00 C ATOM 784 CG PRO B 32 -4.792 2.093 22.238 1.00 0.00 C ATOM 785 CD PRO B 32 -5.158 3.467 21.755 1.00 0.00 C ATOM 0 HA PRO B 32 -6.958 1.278 20.290 1.00 0.00 H new ATOM 0 HB2 PRO B 32 -6.550 1.457 23.280 1.00 0.00 H new ATOM 0 HB3 PRO B 32 -5.900 0.263 22.175 1.00 0.00 H new ATOM 0 HG2 PRO B 32 -4.309 2.138 23.214 1.00 0.00 H new ATOM 0 HG3 PRO B 32 -4.089 1.614 21.556 1.00 0.00 H new ATOM 0 HD2 PRO B 32 -5.386 4.138 22.583 1.00 0.00 H new ATOM 0 HD3 PRO B 32 -4.348 3.925 21.188 1.00 0.00 H new ATOM 793 N THR B 33 -9.230 1.117 21.114 1.00 0.00 N ATOM 794 CA THR B 33 -10.646 1.105 21.455 1.00 0.00 C ATOM 795 C THR B 33 -11.284 2.468 21.205 1.00 0.00 C ATOM 796 O THR B 33 -11.466 3.260 22.131 1.00 0.00 O ATOM 797 CB THR B 33 -10.870 0.702 22.927 1.00 0.00 C ATOM 798 OG1 THR B 33 -10.211 -0.541 23.200 1.00 0.00 O ATOM 799 CG2 THR B 33 -12.355 0.566 23.235 1.00 0.00 C ATOM 0 H THR B 33 -8.951 0.393 20.452 1.00 0.00 H new ATOM 0 HA THR B 33 -11.119 0.364 20.811 1.00 0.00 H new ATOM 0 HB THR B 33 -10.453 1.485 23.560 1.00 0.00 H new ATOM 0 HG1 THR B 33 -10.356 -0.789 24.137 1.00 0.00 H new ATOM 0 HG21 THR B 33 -12.485 0.281 24.279 1.00 0.00 H new ATOM 0 HG22 THR B 33 -12.853 1.519 23.054 1.00 0.00 H new ATOM 0 HG23 THR B 33 -12.791 -0.199 22.593 1.00 0.00 H new ATOM 807 N THR B 34 -11.608 2.740 19.946 1.00 0.00 N ATOM 808 CA THR B 34 -12.226 4.007 19.571 1.00 0.00 C ATOM 809 C THR B 34 -13.292 3.801 18.500 1.00 0.00 C ATOM 810 O THR B 34 -14.461 4.127 18.701 1.00 0.00 O ATOM 811 CB THR B 34 -11.177 5.008 19.055 1.00 0.00 C ATOM 812 OG1 THR B 34 -10.159 5.208 20.044 1.00 0.00 O ATOM 813 CG2 THR B 34 -11.824 6.345 18.714 1.00 0.00 C ATOM 0 H THR B 34 -11.453 2.100 19.167 1.00 0.00 H new ATOM 0 HA THR B 34 -12.693 4.413 20.468 1.00 0.00 H new ATOM 0 HB THR B 34 -10.730 4.595 18.151 1.00 0.00 H new ATOM 0 HG1 THR B 34 -9.355 4.708 19.791 1.00 0.00 H new ATOM 0 HG21 THR B 34 -11.063 7.036 18.352 1.00 0.00 H new ATOM 0 HG22 THR B 34 -12.578 6.198 17.941 1.00 0.00 H new ATOM 0 HG23 THR B 34 -12.295 6.759 19.606 1.00 0.00 H new ATOM 821 N GLY B 35 -12.877 3.256 17.359 1.00 0.00 N ATOM 822 CA GLY B 35 -13.804 3.015 16.273 1.00 0.00 C ATOM 823 C GLY B 35 -13.117 3.040 14.924 1.00 0.00 C ATOM 824 O GLY B 35 -13.269 2.116 14.123 1.00 0.00 O ATOM 0 H GLY B 35 -11.914 2.978 17.170 1.00 0.00 H new ATOM 0 HA2 GLY B 35 -14.286 2.048 16.416 1.00 0.00 H new ATOM 0 HA3 GLY B 35 -14.590 3.770 16.293 1.00 0.00 H new ATOM 828 N PHE B 36 -12.357 4.100 14.674 1.00 0.00 N ATOM 829 CA PHE B 36 -11.640 4.246 13.420 1.00 0.00 C ATOM 830 C PHE B 36 -10.216 3.725 13.541 1.00 0.00 C ATOM 831 O PHE B 36 -9.377 4.310 14.226 1.00 0.00 O ATOM 832 CB PHE B 36 -11.613 5.706 12.991 1.00 0.00 C ATOM 833 CG PHE B 36 -12.897 6.182 12.372 1.00 0.00 C ATOM 834 CD1 PHE B 36 -14.028 6.378 13.149 1.00 0.00 C ATOM 835 CD2 PHE B 36 -12.970 6.435 11.012 1.00 0.00 C ATOM 836 CE1 PHE B 36 -15.209 6.815 12.580 1.00 0.00 C ATOM 837 CE2 PHE B 36 -14.149 6.874 10.437 1.00 0.00 C ATOM 838 CZ PHE B 36 -15.269 7.063 11.221 1.00 0.00 C ATOM 0 H PHE B 36 -12.223 4.871 15.328 1.00 0.00 H new ATOM 0 HA PHE B 36 -12.164 3.658 12.667 1.00 0.00 H new ATOM 0 HB2 PHE B 36 -11.388 6.326 13.859 1.00 0.00 H new ATOM 0 HB3 PHE B 36 -10.802 5.850 12.277 1.00 0.00 H new ATOM 0 HD1 PHE B 36 -13.986 6.187 14.211 1.00 0.00 H new ATOM 0 HD2 PHE B 36 -12.097 6.288 10.394 1.00 0.00 H new ATOM 0 HE1 PHE B 36 -16.084 6.963 13.196 1.00 0.00 H new ATOM 0 HE2 PHE B 36 -14.193 7.069 9.376 1.00 0.00 H new ATOM 0 HZ PHE B 36 -16.191 7.404 10.774 1.00 0.00 H new ATOM 848 N ARG B 37 -9.962 2.615 12.873 1.00 0.00 N ATOM 849 CA ARG B 37 -8.642 1.994 12.874 1.00 0.00 C ATOM 850 C ARG B 37 -7.938 2.258 11.553 1.00 0.00 C ATOM 851 O ARG B 37 -8.223 3.243 10.872 1.00 0.00 O ATOM 852 CB ARG B 37 -8.760 0.486 13.082 1.00 0.00 C ATOM 853 CG ARG B 37 -9.839 0.083 14.075 1.00 0.00 C ATOM 854 CD ARG B 37 -9.497 0.535 15.488 1.00 0.00 C ATOM 855 NE ARG B 37 -10.511 0.126 16.455 1.00 0.00 N ATOM 856 CZ ARG B 37 -10.257 -0.105 17.739 1.00 0.00 C ATOM 857 NH1 ARG B 37 -9.022 0.031 18.208 1.00 0.00 N ATOM 858 NH2 ARG B 37 -11.235 -0.473 18.555 1.00 0.00 N ATOM 0 H ARG B 37 -10.657 2.118 12.316 1.00 0.00 H new ATOM 0 HA ARG B 37 -8.064 2.426 13.691 1.00 0.00 H new ATOM 0 HB2 ARG B 37 -8.968 0.012 12.123 1.00 0.00 H new ATOM 0 HB3 ARG B 37 -7.800 0.101 13.427 1.00 0.00 H new ATOM 0 HG2 ARG B 37 -10.792 0.518 13.774 1.00 0.00 H new ATOM 0 HG3 ARG B 37 -9.963 -1.000 14.059 1.00 0.00 H new ATOM 0 HD2 ARG B 37 -8.532 0.119 15.778 1.00 0.00 H new ATOM 0 HD3 ARG B 37 -9.395 1.620 15.507 1.00 0.00 H new ATOM 0 HE ARG B 37 -11.470 0.011 16.126 1.00 0.00 H new ATOM 0 HH11 ARG B 37 -8.267 0.313 17.583 1.00 0.00 H new ATOM 0 HH12 ARG B 37 -8.828 -0.147 19.194 1.00 0.00 H new ATOM 0 HH21 ARG B 37 -12.184 -0.579 18.198 1.00 0.00 H new ATOM 0 HH22 ARG B 37 -11.038 -0.650 19.540 1.00 0.00 H new ATOM 872 N TRP B 38 -7.019 1.369 11.188 1.00 0.00 N ATOM 873 CA TRP B 38 -6.291 1.507 9.939 1.00 0.00 C ATOM 874 C TRP B 38 -6.568 0.327 9.018 1.00 0.00 C ATOM 875 O TRP B 38 -6.160 -0.801 9.294 1.00 0.00 O ATOM 876 CB TRP B 38 -4.788 1.634 10.202 1.00 0.00 C ATOM 877 CG TRP B 38 -4.409 2.909 10.892 1.00 0.00 C ATOM 878 CD1 TRP B 38 -4.183 3.085 12.227 1.00 0.00 C ATOM 879 CD2 TRP B 38 -4.216 4.190 10.280 1.00 0.00 C ATOM 880 NE1 TRP B 38 -3.860 4.395 12.484 1.00 0.00 N ATOM 881 CE2 TRP B 38 -3.873 5.095 11.304 1.00 0.00 C ATOM 882 CE3 TRP B 38 -4.299 4.660 8.966 1.00 0.00 C ATOM 883 CZ2 TRP B 38 -3.614 6.441 11.053 1.00 0.00 C ATOM 884 CZ3 TRP B 38 -4.042 5.996 8.719 1.00 0.00 C ATOM 885 CH2 TRP B 38 -3.703 6.873 9.758 1.00 0.00 C ATOM 0 H TRP B 38 -6.764 0.550 11.740 1.00 0.00 H new ATOM 0 HA TRP B 38 -6.636 2.416 9.446 1.00 0.00 H new ATOM 0 HB2 TRP B 38 -4.461 0.790 10.809 1.00 0.00 H new ATOM 0 HB3 TRP B 38 -4.254 1.570 9.254 1.00 0.00 H new ATOM 0 HD1 TRP B 38 -4.249 2.307 12.973 1.00 0.00 H new ATOM 0 HE1 TRP B 38 -3.645 4.784 13.402 1.00 0.00 H new ATOM 0 HE3 TRP B 38 -4.559 3.992 8.158 1.00 0.00 H new ATOM 0 HZ2 TRP B 38 -3.352 7.119 11.852 1.00 0.00 H new ATOM 0 HZ3 TRP B 38 -4.104 6.370 7.708 1.00 0.00 H new ATOM 0 HH2 TRP B 38 -3.508 7.911 9.532 1.00 0.00 H new ATOM 896 N GLU B 39 -7.267 0.597 7.919 1.00 0.00 N ATOM 897 CA GLU B 39 -7.609 -0.443 6.956 1.00 0.00 C ATOM 898 C GLU B 39 -6.702 -0.380 5.733 1.00 0.00 C ATOM 899 O GLU B 39 -6.461 0.693 5.177 1.00 0.00 O ATOM 900 CB GLU B 39 -9.072 -0.307 6.526 1.00 0.00 C ATOM 901 CG GLU B 39 -9.536 -1.409 5.588 1.00 0.00 C ATOM 902 CD GLU B 39 -10.982 -1.246 5.164 1.00 0.00 C ATOM 903 OE1 GLU B 39 -11.871 -1.773 5.866 1.00 0.00 O ATOM 904 OE2 GLU B 39 -11.228 -0.588 4.130 1.00 0.00 O ATOM 0 H GLU B 39 -7.607 1.527 7.674 1.00 0.00 H new ATOM 0 HA GLU B 39 -7.465 -1.409 7.440 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -9.704 -0.307 7.414 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -9.210 0.657 6.037 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -8.901 -1.418 4.702 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -9.412 -2.374 6.079 1.00 0.00 H new ATOM 911 N LEU B 40 -6.199 -1.541 5.321 1.00 0.00 N ATOM 912 CA LEU B 40 -5.322 -1.627 4.161 1.00 0.00 C ATOM 913 C LEU B 40 -6.149 -1.646 2.878 1.00 0.00 C ATOM 914 O LEU B 40 -6.979 -2.531 2.676 1.00 0.00 O ATOM 915 CB LEU B 40 -4.450 -2.884 4.245 1.00 0.00 C ATOM 916 CG LEU B 40 -3.076 -2.773 3.575 1.00 0.00 C ATOM 917 CD1 LEU B 40 -2.258 -4.031 3.830 1.00 0.00 C ATOM 918 CD2 LEU B 40 -3.223 -2.526 2.081 1.00 0.00 C ATOM 0 H LEU B 40 -6.385 -2.435 5.775 1.00 0.00 H new ATOM 0 HA LEU B 40 -4.672 -0.752 4.149 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -4.305 -3.136 5.295 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -4.992 -3.713 3.790 1.00 0.00 H new ATOM 0 HG LEU B 40 -2.550 -1.923 4.010 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -1.285 -3.936 3.348 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -2.120 -4.164 4.903 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -2.783 -4.895 3.422 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -2.235 -2.451 1.626 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -3.769 -3.353 1.628 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -3.770 -1.597 1.918 1.00 0.00 H new ATOM 930 N ARG B 41 -5.912 -0.665 2.014 1.00 0.00 N ATOM 931 CA ARG B 41 -6.640 -0.562 0.756 1.00 0.00 C ATOM 932 C ARG B 41 -5.947 -1.362 -0.346 1.00 0.00 C ATOM 933 O ARG B 41 -6.482 -2.359 -0.831 1.00 0.00 O ATOM 934 CB ARG B 41 -6.771 0.910 0.350 1.00 0.00 C ATOM 935 CG ARG B 41 -7.830 1.177 -0.710 1.00 0.00 C ATOM 936 CD ARG B 41 -9.221 0.778 -0.241 1.00 0.00 C ATOM 937 NE ARG B 41 -9.433 -0.666 -0.302 1.00 0.00 N ATOM 938 CZ ARG B 41 -10.545 -1.268 0.113 1.00 0.00 C ATOM 939 NH1 ARG B 41 -11.541 -0.553 0.617 1.00 0.00 N ATOM 940 NH2 ARG B 41 -10.660 -2.586 0.023 1.00 0.00 N ATOM 0 H ARG B 41 -5.221 0.070 2.163 1.00 0.00 H new ATOM 0 HA ARG B 41 -7.636 -0.982 0.897 1.00 0.00 H new ATOM 0 HB2 ARG B 41 -7.005 1.500 1.237 1.00 0.00 H new ATOM 0 HB3 ARG B 41 -5.807 1.260 -0.020 1.00 0.00 H new ATOM 0 HG2 ARG B 41 -7.825 2.236 -0.969 1.00 0.00 H new ATOM 0 HG3 ARG B 41 -7.582 0.626 -1.617 1.00 0.00 H new ATOM 0 HD2 ARG B 41 -9.370 1.122 0.783 1.00 0.00 H new ATOM 0 HD3 ARG B 41 -9.968 1.279 -0.857 1.00 0.00 H new ATOM 0 HE ARG B 41 -8.686 -1.246 -0.684 1.00 0.00 H new ATOM 0 HH11 ARG B 41 -11.456 0.461 0.687 1.00 0.00 H new ATOM 0 HH12 ARG B 41 -12.392 -1.017 0.934 1.00 0.00 H new ATOM 0 HH21 ARG B 41 -9.896 -3.139 -0.365 1.00 0.00 H new ATOM 0 HH22 ARG B 41 -11.513 -3.046 0.341 1.00 0.00 H new ATOM 954 N ASN B 42 -4.756 -0.917 -0.737 1.00 0.00 N ATOM 955 CA ASN B 42 -3.987 -1.597 -1.779 1.00 0.00 C ATOM 956 C ASN B 42 -2.604 -1.992 -1.257 1.00 0.00 C ATOM 957 O ASN B 42 -1.706 -1.156 -1.172 1.00 0.00 O ATOM 958 CB ASN B 42 -3.845 -0.695 -3.006 1.00 0.00 C ATOM 959 CG ASN B 42 -3.161 -1.399 -4.164 1.00 0.00 C ATOM 960 OD1 ASN B 42 -3.233 -2.621 -4.293 1.00 0.00 O ATOM 961 ND2 ASN B 42 -2.497 -0.627 -5.016 1.00 0.00 N ATOM 0 H ASN B 42 -4.302 -0.090 -0.350 1.00 0.00 H new ATOM 0 HA ASN B 42 -4.522 -2.502 -2.065 1.00 0.00 H new ATOM 0 HB2 ASN B 42 -4.832 -0.357 -3.322 1.00 0.00 H new ATOM 0 HB3 ASN B 42 -3.275 0.194 -2.736 1.00 0.00 H new ATOM 0 HD21 ASN B 42 -2.020 -1.043 -5.816 1.00 0.00 H new ATOM 0 HD22 ASN B 42 -2.463 0.382 -4.870 1.00 0.00 H new ATOM 968 N PRO B 43 -2.411 -3.275 -0.898 1.00 0.00 N ATOM 969 CA PRO B 43 -1.130 -3.764 -0.374 1.00 0.00 C ATOM 970 C PRO B 43 -0.070 -3.936 -1.457 1.00 0.00 C ATOM 971 O PRO B 43 1.019 -4.445 -1.190 1.00 0.00 O ATOM 972 CB PRO B 43 -1.498 -5.119 0.227 1.00 0.00 C ATOM 973 CG PRO B 43 -2.649 -5.587 -0.591 1.00 0.00 C ATOM 974 CD PRO B 43 -3.423 -4.352 -0.967 1.00 0.00 C ATOM 0 HA PRO B 43 -0.690 -3.063 0.335 1.00 0.00 H new ATOM 0 HB2 PRO B 43 -0.663 -5.817 0.174 1.00 0.00 H new ATOM 0 HB3 PRO B 43 -1.769 -5.027 1.279 1.00 0.00 H new ATOM 0 HG2 PRO B 43 -2.306 -6.117 -1.479 1.00 0.00 H new ATOM 0 HG3 PRO B 43 -3.272 -6.281 -0.026 1.00 0.00 H new ATOM 0 HD2 PRO B 43 -3.852 -4.436 -1.965 1.00 0.00 H new ATOM 0 HD3 PRO B 43 -4.249 -4.171 -0.279 1.00 0.00 H new ATOM 982 N ALA B 44 -0.387 -3.509 -2.679 1.00 0.00 N ATOM 983 CA ALA B 44 0.547 -3.630 -3.795 1.00 0.00 C ATOM 984 C ALA B 44 1.072 -5.059 -3.911 1.00 0.00 C ATOM 985 O ALA B 44 2.170 -5.287 -4.419 1.00 0.00 O ATOM 986 CB ALA B 44 1.704 -2.656 -3.624 1.00 0.00 C ATOM 0 H ALA B 44 -1.280 -3.078 -2.920 1.00 0.00 H new ATOM 0 HA ALA B 44 0.014 -3.385 -4.714 1.00 0.00 H new ATOM 0 HB1 ALA B 44 2.392 -2.758 -4.463 1.00 0.00 H new ATOM 0 HB2 ALA B 44 1.320 -1.637 -3.591 1.00 0.00 H new ATOM 0 HB3 ALA B 44 2.230 -2.875 -2.695 1.00 0.00 H new ATOM 992 N ALA B 45 0.277 -6.014 -3.440 1.00 0.00 N ATOM 993 CA ALA B 45 0.657 -7.423 -3.482 1.00 0.00 C ATOM 994 C ALA B 45 0.956 -7.878 -4.906 1.00 0.00 C ATOM 995 O ALA B 45 1.525 -8.949 -5.119 1.00 0.00 O ATOM 996 CB ALA B 45 -0.441 -8.282 -2.873 1.00 0.00 C ATOM 0 H ALA B 45 -0.637 -5.838 -3.023 1.00 0.00 H new ATOM 0 HA ALA B 45 1.569 -7.541 -2.896 1.00 0.00 H new ATOM 0 HB1 ALA B 45 -0.146 -9.331 -2.910 1.00 0.00 H new ATOM 0 HB2 ALA B 45 -0.601 -7.987 -1.836 1.00 0.00 H new ATOM 0 HB3 ALA B 45 -1.364 -8.145 -3.436 1.00 0.00 H new ATOM 1002 N SER B 46 0.569 -7.059 -5.879 1.00 0.00 N ATOM 1003 CA SER B 46 0.798 -7.377 -7.283 1.00 0.00 C ATOM 1004 C SER B 46 2.289 -7.515 -7.575 1.00 0.00 C ATOM 1005 O SER B 46 2.686 -8.234 -8.493 1.00 0.00 O ATOM 1006 CB SER B 46 0.187 -6.298 -8.178 1.00 0.00 C ATOM 1007 OG SER B 46 0.387 -6.596 -9.548 1.00 0.00 O ATOM 0 H SER B 46 0.095 -6.170 -5.720 1.00 0.00 H new ATOM 0 HA SER B 46 0.316 -8.331 -7.497 1.00 0.00 H new ATOM 0 HB2 SER B 46 -0.880 -6.213 -7.973 1.00 0.00 H new ATOM 0 HB3 SER B 46 0.634 -5.332 -7.944 1.00 0.00 H new ATOM 0 HG SER B 46 -0.015 -5.891 -10.098 1.00 0.00 H new ATOM 1013 N VAL B 47 3.111 -6.821 -6.794 1.00 0.00 N ATOM 1014 CA VAL B 47 4.558 -6.870 -6.977 1.00 0.00 C ATOM 1015 C VAL B 47 5.285 -7.137 -5.662 1.00 0.00 C ATOM 1016 O VAL B 47 6.216 -7.942 -5.612 1.00 0.00 O ATOM 1017 CB VAL B 47 5.092 -5.565 -7.595 1.00 0.00 C ATOM 1018 CG1 VAL B 47 4.595 -5.418 -9.025 1.00 0.00 C ATOM 1019 CG2 VAL B 47 4.681 -4.363 -6.757 1.00 0.00 C ATOM 0 H VAL B 47 2.801 -6.220 -6.030 1.00 0.00 H new ATOM 0 HA VAL B 47 4.755 -7.695 -7.661 1.00 0.00 H new ATOM 0 HB VAL B 47 6.181 -5.610 -7.609 1.00 0.00 H new ATOM 0 HG11 VAL B 47 4.980 -4.491 -9.450 1.00 0.00 H new ATOM 0 HG12 VAL B 47 4.943 -6.262 -9.620 1.00 0.00 H new ATOM 0 HG13 VAL B 47 3.505 -5.395 -9.031 1.00 0.00 H new ATOM 0 HG21 VAL B 47 5.069 -3.452 -7.213 1.00 0.00 H new ATOM 0 HG22 VAL B 47 3.593 -4.309 -6.707 1.00 0.00 H new ATOM 0 HG23 VAL B 47 5.086 -4.466 -5.750 1.00 0.00 H new ATOM 1029 N LEU B 48 4.859 -6.462 -4.598 1.00 0.00 N ATOM 1030 CA LEU B 48 5.479 -6.638 -3.290 1.00 0.00 C ATOM 1031 C LEU B 48 4.956 -7.897 -2.610 1.00 0.00 C ATOM 1032 O LEU B 48 3.907 -8.425 -2.982 1.00 0.00 O ATOM 1033 CB LEU B 48 5.218 -5.417 -2.404 1.00 0.00 C ATOM 1034 CG LEU B 48 5.429 -4.061 -3.082 1.00 0.00 C ATOM 1035 CD1 LEU B 48 5.045 -2.928 -2.140 1.00 0.00 C ATOM 1036 CD2 LEU B 48 6.876 -3.908 -3.537 1.00 0.00 C ATOM 0 H LEU B 48 4.091 -5.791 -4.616 1.00 0.00 H new ATOM 0 HA LEU B 48 6.554 -6.743 -3.437 1.00 0.00 H new ATOM 0 HB2 LEU B 48 4.192 -5.466 -2.038 1.00 0.00 H new ATOM 0 HB3 LEU B 48 5.870 -5.475 -1.533 1.00 0.00 H new ATOM 0 HG LEU B 48 4.785 -4.013 -3.960 1.00 0.00 H new ATOM 0 HD11 LEU B 48 5.201 -1.971 -2.639 1.00 0.00 H new ATOM 0 HD12 LEU B 48 3.995 -3.025 -1.863 1.00 0.00 H new ATOM 0 HD13 LEU B 48 5.663 -2.975 -1.243 1.00 0.00 H new ATOM 0 HD21 LEU B 48 7.006 -2.938 -4.017 1.00 0.00 H new ATOM 0 HD22 LEU B 48 7.538 -3.978 -2.674 1.00 0.00 H new ATOM 0 HD23 LEU B 48 7.120 -4.699 -4.246 1.00 0.00 H new ATOM 1048 N LYS B 49 5.694 -8.376 -1.615 1.00 0.00 N ATOM 1049 CA LYS B 49 5.310 -9.577 -0.885 1.00 0.00 C ATOM 1050 C LYS B 49 5.076 -9.263 0.591 1.00 0.00 C ATOM 1051 O LYS B 49 5.783 -8.447 1.180 1.00 0.00 O ATOM 1052 CB LYS B 49 6.396 -10.643 -1.028 1.00 0.00 C ATOM 1053 CG LYS B 49 5.971 -12.026 -0.566 1.00 0.00 C ATOM 1054 CD LYS B 49 7.117 -13.017 -0.669 1.00 0.00 C ATOM 1055 CE LYS B 49 6.632 -14.447 -0.511 1.00 0.00 C ATOM 1056 NZ LYS B 49 7.758 -15.422 -0.522 1.00 0.00 N ATOM 0 H LYS B 49 6.564 -7.949 -1.295 1.00 0.00 H new ATOM 0 HA LYS B 49 4.379 -9.954 -1.307 1.00 0.00 H new ATOM 0 HB2 LYS B 49 6.701 -10.698 -2.073 1.00 0.00 H new ATOM 0 HB3 LYS B 49 7.271 -10.334 -0.457 1.00 0.00 H new ATOM 0 HG2 LYS B 49 5.622 -11.976 0.465 1.00 0.00 H new ATOM 0 HG3 LYS B 49 5.132 -12.372 -1.170 1.00 0.00 H new ATOM 0 HD2 LYS B 49 7.612 -12.904 -1.634 1.00 0.00 H new ATOM 0 HD3 LYS B 49 7.860 -12.797 0.098 1.00 0.00 H new ATOM 0 HE2 LYS B 49 6.080 -14.541 0.424 1.00 0.00 H new ATOM 0 HE3 LYS B 49 5.938 -14.686 -1.317 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 7.384 -16.386 -0.412 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 8.270 -15.351 -1.424 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 8.408 -15.211 0.262 1.00 0.00 H new ATOM 1070 N ARG B 50 4.079 -9.916 1.181 1.00 0.00 N ATOM 1071 CA ARG B 50 3.754 -9.703 2.587 1.00 0.00 C ATOM 1072 C ARG B 50 4.369 -10.790 3.465 1.00 0.00 C ATOM 1073 O ARG B 50 4.368 -11.968 3.101 1.00 0.00 O ATOM 1074 CB ARG B 50 2.237 -9.666 2.783 1.00 0.00 C ATOM 1075 CG ARG B 50 1.533 -10.933 2.323 1.00 0.00 C ATOM 1076 CD ARG B 50 0.035 -10.857 2.563 1.00 0.00 C ATOM 1077 NE ARG B 50 -0.651 -12.071 2.126 1.00 0.00 N ATOM 1078 CZ ARG B 50 -1.953 -12.283 2.295 1.00 0.00 C ATOM 1079 NH1 ARG B 50 -2.707 -11.367 2.889 1.00 0.00 N ATOM 1080 NH2 ARG B 50 -2.502 -13.413 1.868 1.00 0.00 N ATOM 0 H ARG B 50 3.483 -10.596 0.708 1.00 0.00 H new ATOM 0 HA ARG B 50 4.175 -8.743 2.887 1.00 0.00 H new ATOM 0 HB2 ARG B 50 2.019 -9.502 3.838 1.00 0.00 H new ATOM 0 HB3 ARG B 50 1.829 -8.815 2.237 1.00 0.00 H new ATOM 0 HG2 ARG B 50 1.725 -11.092 1.262 1.00 0.00 H new ATOM 0 HG3 ARG B 50 1.944 -11.792 2.853 1.00 0.00 H new ATOM 0 HD2 ARG B 50 -0.155 -10.695 3.624 1.00 0.00 H new ATOM 0 HD3 ARG B 50 -0.374 -9.998 2.032 1.00 0.00 H new ATOM 0 HE ARG B 50 -0.101 -12.796 1.666 1.00 0.00 H new ATOM 0 HH11 ARG B 50 -2.288 -10.497 3.218 1.00 0.00 H new ATOM 0 HH12 ARG B 50 -3.705 -11.533 3.017 1.00 0.00 H new ATOM 0 HH21 ARG B 50 -1.925 -14.119 1.410 1.00 0.00 H new ATOM 0 HH22 ARG B 50 -3.501 -13.576 1.998 1.00 0.00 H new ATOM 1349 N GLU B 71 -1.411 1.127 18.522 1.00 0.00 N ATOM 1350 CA GLU B 71 -0.769 1.571 17.287 1.00 0.00 C ATOM 1351 C GLU B 71 -0.791 0.470 16.229 1.00 0.00 C ATOM 1352 O GLU B 71 -1.351 -0.605 16.448 1.00 0.00 O ATOM 1353 CB GLU B 71 0.674 2.003 17.560 1.00 0.00 C ATOM 1354 CG GLU B 71 0.784 3.184 18.512 1.00 0.00 C ATOM 1355 CD GLU B 71 2.223 3.584 18.782 1.00 0.00 C ATOM 1356 OE1 GLU B 71 2.816 3.051 19.743 1.00 0.00 O ATOM 1357 OE2 GLU B 71 2.754 4.429 18.032 1.00 0.00 O ATOM 0 HA GLU B 71 -1.331 2.424 16.907 1.00 0.00 H new ATOM 0 HB2 GLU B 71 1.225 1.159 17.975 1.00 0.00 H new ATOM 0 HB3 GLU B 71 1.152 2.262 16.615 1.00 0.00 H new ATOM 0 HG2 GLU B 71 0.247 4.035 18.093 1.00 0.00 H new ATOM 0 HG3 GLU B 71 0.298 2.933 19.455 1.00 0.00 H new ATOM 1364 N SER B 72 -0.180 0.750 15.082 1.00 0.00 N ATOM 1365 CA SER B 72 -0.127 -0.214 13.988 1.00 0.00 C ATOM 1366 C SER B 72 1.230 -0.172 13.292 1.00 0.00 C ATOM 1367 O SER B 72 1.945 0.828 13.368 1.00 0.00 O ATOM 1368 CB SER B 72 -1.242 0.067 12.978 1.00 0.00 C ATOM 1369 OG SER B 72 -1.126 1.374 12.441 1.00 0.00 O ATOM 0 H SER B 72 0.285 1.636 14.886 1.00 0.00 H new ATOM 0 HA SER B 72 -0.269 -1.210 14.407 1.00 0.00 H new ATOM 0 HB2 SER B 72 -1.200 -0.666 12.172 1.00 0.00 H new ATOM 0 HB3 SER B 72 -2.212 -0.046 13.462 1.00 0.00 H new ATOM 0 HG SER B 72 -1.082 1.323 11.463 1.00 0.00 H new ATOM 1375 N THR B 73 1.578 -1.263 12.616 1.00 0.00 N ATOM 1376 CA THR B 73 2.851 -1.349 11.907 1.00 0.00 C ATOM 1377 C THR B 73 2.701 -2.113 10.596 1.00 0.00 C ATOM 1378 O THR B 73 1.947 -3.083 10.512 1.00 0.00 O ATOM 1379 CB THR B 73 3.926 -2.036 12.770 1.00 0.00 C ATOM 1380 OG1 THR B 73 4.056 -1.356 14.026 1.00 0.00 O ATOM 1381 CG2 THR B 73 5.270 -2.048 12.058 1.00 0.00 C ATOM 0 H THR B 73 0.998 -2.099 12.544 1.00 0.00 H new ATOM 0 HA THR B 73 3.165 -0.327 11.693 1.00 0.00 H new ATOM 0 HB THR B 73 3.614 -3.066 12.942 1.00 0.00 H new ATOM 0 HG1 THR B 73 4.740 -1.800 14.569 1.00 0.00 H new ATOM 0 HG21 THR B 73 6.011 -2.539 12.689 1.00 0.00 H new ATOM 0 HG22 THR B 73 5.178 -2.590 11.117 1.00 0.00 H new ATOM 0 HG23 THR B 73 5.585 -1.024 11.858 1.00 0.00 H new ATOM 1389 N TRP B 74 3.424 -1.667 9.573 1.00 0.00 N ATOM 1390 CA TRP B 74 3.375 -2.308 8.262 1.00 0.00 C ATOM 1391 C TRP B 74 4.778 -2.667 7.781 1.00 0.00 C ATOM 1392 O TRP B 74 5.691 -1.842 7.828 1.00 0.00 O ATOM 1393 CB TRP B 74 2.698 -1.388 7.243 1.00 0.00 C ATOM 1394 CG TRP B 74 1.257 -1.118 7.547 1.00 0.00 C ATOM 1395 CD1 TRP B 74 0.193 -1.924 7.255 1.00 0.00 C ATOM 1396 CD2 TRP B 74 0.716 0.039 8.197 1.00 0.00 C ATOM 1397 NE1 TRP B 74 -0.975 -1.340 7.685 1.00 0.00 N ATOM 1398 CE2 TRP B 74 -0.678 -0.133 8.265 1.00 0.00 C ATOM 1399 CE3 TRP B 74 1.280 1.205 8.726 1.00 0.00 C ATOM 1400 CZ2 TRP B 74 -1.519 0.815 8.843 1.00 0.00 C ATOM 1401 CZ3 TRP B 74 0.444 2.145 9.301 1.00 0.00 C ATOM 1402 CH2 TRP B 74 -0.941 1.945 9.355 1.00 0.00 C ATOM 0 H TRP B 74 4.051 -0.864 9.626 1.00 0.00 H new ATOM 0 HA TRP B 74 2.793 -3.225 8.357 1.00 0.00 H new ATOM 0 HB2 TRP B 74 3.237 -0.441 7.206 1.00 0.00 H new ATOM 0 HB3 TRP B 74 2.774 -1.837 6.253 1.00 0.00 H new ATOM 0 HD1 TRP B 74 0.260 -2.881 6.759 1.00 0.00 H new ATOM 0 HE1 TRP B 74 -1.909 -1.739 7.589 1.00 0.00 H new ATOM 0 HE3 TRP B 74 2.347 1.368 8.686 1.00 0.00 H new ATOM 0 HZ2 TRP B 74 -2.588 0.664 8.886 1.00 0.00 H new ATOM 0 HZ3 TRP B 74 0.866 3.048 9.715 1.00 0.00 H new ATOM 0 HH2 TRP B 74 -1.566 2.699 9.810 1.00 0.00 H new ATOM 1413 N ARG B 75 4.940 -3.906 7.323 1.00 0.00 N ATOM 1414 CA ARG B 75 6.228 -4.382 6.828 1.00 0.00 C ATOM 1415 C ARG B 75 6.036 -5.343 5.659 1.00 0.00 C ATOM 1416 O ARG B 75 5.440 -6.410 5.814 1.00 0.00 O ATOM 1417 CB ARG B 75 7.007 -5.078 7.946 1.00 0.00 C ATOM 1418 CG ARG B 75 7.373 -4.156 9.097 1.00 0.00 C ATOM 1419 CD ARG B 75 8.390 -4.804 10.020 1.00 0.00 C ATOM 1420 NE ARG B 75 7.897 -6.055 10.587 1.00 0.00 N ATOM 1421 CZ ARG B 75 8.658 -6.907 11.266 1.00 0.00 C ATOM 1422 NH1 ARG B 75 9.944 -6.642 11.468 1.00 0.00 N ATOM 1423 NH2 ARG B 75 8.136 -8.028 11.748 1.00 0.00 N ATOM 0 H ARG B 75 4.193 -4.600 7.285 1.00 0.00 H new ATOM 0 HA ARG B 75 6.796 -3.518 6.483 1.00 0.00 H new ATOM 0 HB2 ARG B 75 6.412 -5.907 8.330 1.00 0.00 H new ATOM 0 HB3 ARG B 75 7.919 -5.506 7.530 1.00 0.00 H new ATOM 0 HG2 ARG B 75 7.777 -3.223 8.704 1.00 0.00 H new ATOM 0 HG3 ARG B 75 6.476 -3.902 9.662 1.00 0.00 H new ATOM 0 HD2 ARG B 75 9.310 -4.994 9.468 1.00 0.00 H new ATOM 0 HD3 ARG B 75 8.639 -4.114 10.826 1.00 0.00 H new ATOM 0 HE ARG B 75 6.913 -6.289 10.455 1.00 0.00 H new ATOM 0 HH11 ARG B 75 10.351 -5.782 11.101 1.00 0.00 H new ATOM 0 HH12 ARG B 75 10.524 -7.299 11.990 1.00 0.00 H new ATOM 0 HH21 ARG B 75 7.149 -8.237 11.598 1.00 0.00 H new ATOM 0 HH22 ARG B 75 8.722 -8.681 12.269 1.00 0.00 H new ATOM 1437 N PHE B 76 6.541 -4.961 4.488 1.00 0.00 N ATOM 1438 CA PHE B 76 6.416 -5.796 3.297 1.00 0.00 C ATOM 1439 C PHE B 76 7.758 -5.954 2.586 1.00 0.00 C ATOM 1440 O PHE B 76 8.495 -4.984 2.406 1.00 0.00 O ATOM 1441 CB PHE B 76 5.388 -5.192 2.337 1.00 0.00 C ATOM 1442 CG PHE B 76 4.023 -5.025 2.940 1.00 0.00 C ATOM 1443 CD1 PHE B 76 3.096 -6.055 2.888 1.00 0.00 C ATOM 1444 CD2 PHE B 76 3.666 -3.839 3.562 1.00 0.00 C ATOM 1445 CE1 PHE B 76 1.839 -5.903 3.443 1.00 0.00 C ATOM 1446 CE2 PHE B 76 2.413 -3.682 4.120 1.00 0.00 C ATOM 1447 CZ PHE B 76 1.496 -4.716 4.060 1.00 0.00 C ATOM 0 H PHE B 76 7.038 -4.083 4.339 1.00 0.00 H new ATOM 0 HA PHE B 76 6.081 -6.784 3.614 1.00 0.00 H new ATOM 0 HB2 PHE B 76 5.747 -4.220 1.999 1.00 0.00 H new ATOM 0 HB3 PHE B 76 5.310 -5.828 1.455 1.00 0.00 H new ATOM 0 HD1 PHE B 76 3.359 -6.986 2.409 1.00 0.00 H new ATOM 0 HD2 PHE B 76 4.377 -3.027 3.611 1.00 0.00 H new ATOM 0 HE1 PHE B 76 1.125 -6.712 3.394 1.00 0.00 H new ATOM 0 HE2 PHE B 76 2.149 -2.753 4.603 1.00 0.00 H new ATOM 0 HZ PHE B 76 0.515 -4.595 4.494 1.00 0.00 H new ATOM 1457 N ARG B 77 8.065 -7.185 2.181 1.00 0.00 N ATOM 1458 CA ARG B 77 9.311 -7.474 1.481 1.00 0.00 C ATOM 1459 C ARG B 77 9.056 -7.599 -0.018 1.00 0.00 C ATOM 1460 O ARG B 77 8.178 -8.345 -0.447 1.00 0.00 O ATOM 1461 CB ARG B 77 9.936 -8.767 2.008 1.00 0.00 C ATOM 1462 CG ARG B 77 11.195 -9.183 1.268 1.00 0.00 C ATOM 1463 CD ARG B 77 12.402 -8.374 1.713 1.00 0.00 C ATOM 1464 NE ARG B 77 12.765 -8.653 3.100 1.00 0.00 N ATOM 1465 CZ ARG B 77 14.018 -8.662 3.548 1.00 0.00 C ATOM 1466 NH1 ARG B 77 15.024 -8.407 2.720 1.00 0.00 N ATOM 1467 NH2 ARG B 77 14.266 -8.925 4.825 1.00 0.00 N ATOM 0 H ARG B 77 7.466 -7.998 2.327 1.00 0.00 H new ATOM 0 HA ARG B 77 10.003 -6.651 1.659 1.00 0.00 H new ATOM 0 HB2 ARG B 77 10.171 -8.642 3.065 1.00 0.00 H new ATOM 0 HB3 ARG B 77 9.202 -9.570 1.938 1.00 0.00 H new ATOM 0 HG2 ARG B 77 11.384 -10.243 1.439 1.00 0.00 H new ATOM 0 HG3 ARG B 77 11.046 -9.055 0.196 1.00 0.00 H new ATOM 0 HD2 ARG B 77 13.249 -8.599 1.064 1.00 0.00 H new ATOM 0 HD3 ARG B 77 12.188 -7.311 1.601 1.00 0.00 H new ATOM 0 HE ARG B 77 12.016 -8.852 3.763 1.00 0.00 H new ATOM 0 HH11 ARG B 77 14.837 -8.204 1.738 1.00 0.00 H new ATOM 0 HH12 ARG B 77 15.984 -8.414 3.066 1.00 0.00 H new ATOM 0 HH21 ARG B 77 13.496 -9.121 5.464 1.00 0.00 H new ATOM 0 HH22 ARG B 77 15.227 -8.932 5.167 1.00 0.00 H new ATOM 1481 N VAL B 78 9.830 -6.869 -0.809 1.00 0.00 N ATOM 1482 CA VAL B 78 9.681 -6.895 -2.258 1.00 0.00 C ATOM 1483 C VAL B 78 10.070 -8.254 -2.833 1.00 0.00 C ATOM 1484 O VAL B 78 11.101 -8.822 -2.465 1.00 0.00 O ATOM 1485 CB VAL B 78 10.532 -5.797 -2.918 1.00 0.00 C ATOM 1486 CG1 VAL B 78 10.190 -5.664 -4.394 1.00 0.00 C ATOM 1487 CG2 VAL B 78 10.334 -4.475 -2.193 1.00 0.00 C ATOM 0 H VAL B 78 10.568 -6.251 -0.472 1.00 0.00 H new ATOM 0 HA VAL B 78 8.629 -6.712 -2.476 1.00 0.00 H new ATOM 0 HB VAL B 78 11.583 -6.078 -2.843 1.00 0.00 H new ATOM 0 HG11 VAL B 78 10.804 -4.882 -4.841 1.00 0.00 H new ATOM 0 HG12 VAL B 78 10.384 -6.610 -4.899 1.00 0.00 H new ATOM 0 HG13 VAL B 78 9.137 -5.405 -4.502 1.00 0.00 H new ATOM 0 HG21 VAL B 78 10.941 -3.705 -2.669 1.00 0.00 H new ATOM 0 HG22 VAL B 78 9.283 -4.189 -2.239 1.00 0.00 H new ATOM 0 HG23 VAL B 78 10.635 -4.583 -1.151 1.00 0.00 H new ATOM 1497 N ALA B 79 9.242 -8.769 -3.737 1.00 0.00 N ATOM 1498 CA ALA B 79 9.495 -10.066 -4.358 1.00 0.00 C ATOM 1499 C ALA B 79 9.905 -9.910 -5.823 1.00 0.00 C ATOM 1500 O ALA B 79 10.756 -10.651 -6.317 1.00 0.00 O ATOM 1501 CB ALA B 79 8.264 -10.955 -4.243 1.00 0.00 C ATOM 0 H ALA B 79 8.390 -8.308 -4.056 1.00 0.00 H new ATOM 0 HA ALA B 79 10.323 -10.537 -3.828 1.00 0.00 H new ATOM 0 HB1 ALA B 79 8.466 -11.919 -4.710 1.00 0.00 H new ATOM 0 HB2 ALA B 79 8.021 -11.105 -3.191 1.00 0.00 H new ATOM 0 HB3 ALA B 79 7.422 -10.478 -4.745 1.00 0.00 H new ATOM 1507 N ALA B 80 9.298 -8.945 -6.510 1.00 0.00 N ATOM 1508 CA ALA B 80 9.607 -8.700 -7.915 1.00 0.00 C ATOM 1509 C ALA B 80 9.380 -7.240 -8.286 1.00 0.00 C ATOM 1510 O ALA B 80 8.979 -6.429 -7.449 1.00 0.00 O ATOM 1511 CB ALA B 80 8.771 -9.597 -8.813 1.00 0.00 C ATOM 0 H ALA B 80 8.592 -8.322 -6.118 1.00 0.00 H new ATOM 0 HA ALA B 80 10.662 -8.932 -8.064 1.00 0.00 H new ATOM 0 HB1 ALA B 80 9.017 -9.398 -9.856 1.00 0.00 H new ATOM 0 HB2 ALA B 80 8.983 -10.641 -8.583 1.00 0.00 H new ATOM 0 HB3 ALA B 80 7.713 -9.396 -8.645 1.00 0.00 H new ATOM 1517 N SER B 81 9.641 -6.919 -9.546 1.00 0.00 N ATOM 1518 CA SER B 81 9.474 -5.574 -10.043 1.00 0.00 C ATOM 1519 C SER B 81 8.032 -5.320 -10.453 1.00 0.00 C ATOM 1520 O SER B 81 7.149 -6.141 -10.208 1.00 0.00 O ATOM 1521 CB SER B 81 10.401 -5.345 -11.233 1.00 0.00 C ATOM 1522 OG SER B 81 9.787 -5.746 -12.446 1.00 0.00 O ATOM 0 H SER B 81 9.972 -7.585 -10.244 1.00 0.00 H new ATOM 0 HA SER B 81 9.729 -4.878 -9.244 1.00 0.00 H new ATOM 0 HB2 SER B 81 10.670 -4.290 -11.290 1.00 0.00 H new ATOM 0 HB3 SER B 81 11.326 -5.903 -11.089 1.00 0.00 H new ATOM 0 HG SER B 81 10.402 -5.587 -13.192 1.00 0.00 H new ATOM 1528 N GLY B 82 7.811 -4.181 -11.088 1.00 0.00 N ATOM 1529 CA GLY B 82 6.476 -3.811 -11.530 1.00 0.00 C ATOM 1530 C GLY B 82 6.017 -2.493 -10.936 1.00 0.00 C ATOM 1531 O GLY B 82 6.551 -2.043 -9.922 1.00 0.00 O ATOM 0 H GLY B 82 8.536 -3.498 -11.309 1.00 0.00 H new ATOM 0 HA2 GLY B 82 6.462 -3.741 -12.618 1.00 0.00 H new ATOM 0 HA3 GLY B 82 5.773 -4.596 -11.252 1.00 0.00 H new ATOM 1535 N ASP B 83 5.026 -1.875 -11.569 1.00 0.00 N ATOM 1536 CA ASP B 83 4.499 -0.601 -11.099 1.00 0.00 C ATOM 1537 C ASP B 83 3.250 -0.800 -10.247 1.00 0.00 C ATOM 1538 O ASP B 83 2.316 -1.495 -10.646 1.00 0.00 O ATOM 1539 CB ASP B 83 4.176 0.302 -12.288 1.00 0.00 C ATOM 1540 CG ASP B 83 4.389 -0.389 -13.622 1.00 0.00 C ATOM 1541 OD1 ASP B 83 3.432 -1.015 -14.125 1.00 0.00 O ATOM 1542 OD2 ASP B 83 5.512 -0.303 -14.162 1.00 0.00 O ATOM 0 H ASP B 83 4.572 -2.236 -12.408 1.00 0.00 H new ATOM 0 HA ASP B 83 5.262 -0.129 -10.480 1.00 0.00 H new ATOM 0 HB2 ASP B 83 3.140 0.634 -12.216 1.00 0.00 H new ATOM 0 HB3 ASP B 83 4.800 1.194 -12.242 1.00 0.00 H new ATOM 1547 N ASP B 84 3.242 -0.176 -9.074 1.00 0.00 N ATOM 1548 CA ASP B 84 2.115 -0.270 -8.155 1.00 0.00 C ATOM 1549 C ASP B 84 2.060 0.957 -7.252 1.00 0.00 C ATOM 1550 O ASP B 84 2.796 1.921 -7.461 1.00 0.00 O ATOM 1551 CB ASP B 84 2.214 -1.540 -7.306 1.00 0.00 C ATOM 1552 CG ASP B 84 1.709 -2.765 -8.042 1.00 0.00 C ATOM 1553 OD1 ASP B 84 2.496 -3.367 -8.802 1.00 0.00 O ATOM 1554 OD2 ASP B 84 0.527 -3.120 -7.859 1.00 0.00 O ATOM 0 H ASP B 84 4.010 0.404 -8.736 1.00 0.00 H new ATOM 0 HA ASP B 84 1.199 -0.315 -8.745 1.00 0.00 H new ATOM 0 HB2 ASP B 84 3.252 -1.698 -7.012 1.00 0.00 H new ATOM 0 HB3 ASP B 84 1.640 -1.407 -6.389 1.00 0.00 H new ATOM 1559 N ARG B 85 1.187 0.920 -6.253 1.00 0.00 N ATOM 1560 CA ARG B 85 1.045 2.032 -5.332 1.00 0.00 C ATOM 1561 C ARG B 85 0.317 1.602 -4.062 1.00 0.00 C ATOM 1562 O ARG B 85 -0.883 1.328 -4.088 1.00 0.00 O ATOM 1563 CB ARG B 85 0.282 3.165 -6.010 1.00 0.00 C ATOM 1564 CG ARG B 85 0.067 4.361 -5.110 1.00 0.00 C ATOM 1565 CD ARG B 85 -0.834 5.393 -5.766 1.00 0.00 C ATOM 1566 NE ARG B 85 -0.229 5.969 -6.963 1.00 0.00 N ATOM 1567 CZ ARG B 85 -0.861 6.812 -7.777 1.00 0.00 C ATOM 1568 NH1 ARG B 85 -2.111 7.173 -7.522 1.00 0.00 N ATOM 1569 NH2 ARG B 85 -0.242 7.294 -8.846 1.00 0.00 N ATOM 0 H ARG B 85 0.569 0.131 -6.063 1.00 0.00 H new ATOM 0 HA ARG B 85 2.040 2.377 -5.053 1.00 0.00 H new ATOM 0 HB2 ARG B 85 0.828 3.481 -6.899 1.00 0.00 H new ATOM 0 HB3 ARG B 85 -0.686 2.793 -6.346 1.00 0.00 H new ATOM 0 HG2 ARG B 85 -0.376 4.035 -4.169 1.00 0.00 H new ATOM 0 HG3 ARG B 85 1.028 4.815 -4.870 1.00 0.00 H new ATOM 0 HD2 ARG B 85 -1.785 4.929 -6.028 1.00 0.00 H new ATOM 0 HD3 ARG B 85 -1.053 6.188 -5.053 1.00 0.00 H new ATOM 0 HE ARG B 85 0.732 5.711 -7.188 1.00 0.00 H new ATOM 0 HH11 ARG B 85 -2.591 6.805 -6.701 1.00 0.00 H new ATOM 0 HH12 ARG B 85 -2.593 7.819 -8.147 1.00 0.00 H new ATOM 0 HH21 ARG B 85 0.720 7.019 -9.046 1.00 0.00 H new ATOM 0 HH22 ARG B 85 -0.728 7.940 -9.469 1.00 0.00 H new ATOM 1583 N LEU B 86 1.046 1.547 -2.952 1.00 0.00 N ATOM 1584 CA LEU B 86 0.462 1.154 -1.678 1.00 0.00 C ATOM 1585 C LEU B 86 -0.606 2.156 -1.249 1.00 0.00 C ATOM 1586 O LEU B 86 -0.338 3.353 -1.143 1.00 0.00 O ATOM 1587 CB LEU B 86 1.544 1.058 -0.601 1.00 0.00 C ATOM 1588 CG LEU B 86 1.170 0.205 0.614 1.00 0.00 C ATOM 1589 CD1 LEU B 86 1.120 -1.268 0.235 1.00 0.00 C ATOM 1590 CD2 LEU B 86 2.153 0.428 1.751 1.00 0.00 C ATOM 0 H LEU B 86 2.041 1.770 -2.911 1.00 0.00 H new ATOM 0 HA LEU B 86 -0.001 0.175 -1.803 1.00 0.00 H new ATOM 0 HB2 LEU B 86 2.448 0.647 -1.050 1.00 0.00 H new ATOM 0 HB3 LEU B 86 1.787 2.064 -0.259 1.00 0.00 H new ATOM 0 HG LEU B 86 0.180 0.509 0.954 1.00 0.00 H new ATOM 0 HD11 LEU B 86 0.853 -1.860 1.110 1.00 0.00 H new ATOM 0 HD12 LEU B 86 0.374 -1.418 -0.546 1.00 0.00 H new ATOM 0 HD13 LEU B 86 2.097 -1.583 -0.131 1.00 0.00 H new ATOM 0 HD21 LEU B 86 1.868 -0.188 2.604 1.00 0.00 H new ATOM 0 HD22 LEU B 86 3.156 0.154 1.424 1.00 0.00 H new ATOM 0 HD23 LEU B 86 2.141 1.478 2.042 1.00 0.00 H new ATOM 1602 N GLU B 87 -1.816 1.663 -1.005 1.00 0.00 N ATOM 1603 CA GLU B 87 -2.921 2.523 -0.597 1.00 0.00 C ATOM 1604 C GLU B 87 -3.432 2.151 0.790 1.00 0.00 C ATOM 1605 O GLU B 87 -3.718 0.987 1.071 1.00 0.00 O ATOM 1606 CB GLU B 87 -4.063 2.436 -1.614 1.00 0.00 C ATOM 1607 CG GLU B 87 -3.624 2.686 -3.048 1.00 0.00 C ATOM 1608 CD GLU B 87 -4.766 3.135 -3.938 1.00 0.00 C ATOM 1609 OE1 GLU B 87 -5.431 2.264 -4.537 1.00 0.00 O ATOM 1610 OE2 GLU B 87 -4.995 4.360 -4.037 1.00 0.00 O ATOM 0 H GLU B 87 -2.056 0.675 -1.082 1.00 0.00 H new ATOM 0 HA GLU B 87 -2.549 3.547 -0.558 1.00 0.00 H new ATOM 0 HB2 GLU B 87 -4.520 1.449 -1.550 1.00 0.00 H new ATOM 0 HB3 GLU B 87 -4.832 3.161 -1.347 1.00 0.00 H new ATOM 0 HG2 GLU B 87 -2.841 3.445 -3.057 1.00 0.00 H new ATOM 0 HG3 GLU B 87 -3.188 1.773 -3.455 1.00 0.00 H new ATOM 1617 N LEU B 88 -3.540 3.153 1.656 1.00 0.00 N ATOM 1618 CA LEU B 88 -4.032 2.949 3.014 1.00 0.00 C ATOM 1619 C LEU B 88 -4.992 4.066 3.397 1.00 0.00 C ATOM 1620 O LEU B 88 -4.820 5.210 2.979 1.00 0.00 O ATOM 1621 CB LEU B 88 -2.870 2.901 4.012 1.00 0.00 C ATOM 1622 CG LEU B 88 -1.858 1.776 3.785 1.00 0.00 C ATOM 1623 CD1 LEU B 88 -0.796 2.207 2.784 1.00 0.00 C ATOM 1624 CD2 LEU B 88 -1.219 1.362 5.101 1.00 0.00 C ATOM 0 H LEU B 88 -3.292 4.119 1.440 1.00 0.00 H new ATOM 0 HA LEU B 88 -4.558 1.995 3.046 1.00 0.00 H new ATOM 0 HB2 LEU B 88 -2.343 3.854 3.976 1.00 0.00 H new ATOM 0 HB3 LEU B 88 -3.280 2.801 5.017 1.00 0.00 H new ATOM 0 HG LEU B 88 -2.385 0.915 3.374 1.00 0.00 H new ATOM 0 HD11 LEU B 88 -0.085 1.394 2.635 1.00 0.00 H new ATOM 0 HD12 LEU B 88 -1.270 2.453 1.834 1.00 0.00 H new ATOM 0 HD13 LEU B 88 -0.271 3.083 3.165 1.00 0.00 H new ATOM 0 HD21 LEU B 88 -0.502 0.561 4.921 1.00 0.00 H new ATOM 0 HD22 LEU B 88 -0.705 2.217 5.541 1.00 0.00 H new ATOM 0 HD23 LEU B 88 -1.991 1.011 5.786 1.00 0.00 H new ATOM 1636 N VAL B 89 -6.006 3.735 4.189 1.00 0.00 N ATOM 1637 CA VAL B 89 -6.985 4.730 4.610 1.00 0.00 C ATOM 1638 C VAL B 89 -7.378 4.543 6.072 1.00 0.00 C ATOM 1639 O VAL B 89 -7.381 3.425 6.591 1.00 0.00 O ATOM 1640 CB VAL B 89 -8.249 4.689 3.728 1.00 0.00 C ATOM 1641 CG1 VAL B 89 -7.969 5.310 2.368 1.00 0.00 C ATOM 1642 CG2 VAL B 89 -8.752 3.261 3.573 1.00 0.00 C ATOM 0 H VAL B 89 -6.171 2.795 4.549 1.00 0.00 H new ATOM 0 HA VAL B 89 -6.509 5.704 4.496 1.00 0.00 H new ATOM 0 HB VAL B 89 -9.029 5.272 4.219 1.00 0.00 H new ATOM 0 HG11 VAL B 89 -8.872 5.273 1.758 1.00 0.00 H new ATOM 0 HG12 VAL B 89 -7.662 6.348 2.498 1.00 0.00 H new ATOM 0 HG13 VAL B 89 -7.173 4.755 1.872 1.00 0.00 H new ATOM 0 HG21 VAL B 89 -9.644 3.255 2.947 1.00 0.00 H new ATOM 0 HG22 VAL B 89 -7.978 2.651 3.107 1.00 0.00 H new ATOM 0 HG23 VAL B 89 -8.994 2.852 4.554 1.00 0.00 H new ATOM 1652 N TYR B 90 -7.710 5.652 6.729 1.00 0.00 N ATOM 1653 CA TYR B 90 -8.100 5.633 8.134 1.00 0.00 C ATOM 1654 C TYR B 90 -9.616 5.555 8.274 1.00 0.00 C ATOM 1655 O TYR B 90 -10.306 6.577 8.250 1.00 0.00 O ATOM 1656 CB TYR B 90 -7.563 6.886 8.835 1.00 0.00 C ATOM 1657 CG TYR B 90 -7.838 6.935 10.321 1.00 0.00 C ATOM 1658 CD1 TYR B 90 -8.664 7.914 10.861 1.00 0.00 C ATOM 1659 CD2 TYR B 90 -7.263 6.011 11.187 1.00 0.00 C ATOM 1660 CE1 TYR B 90 -8.912 7.968 12.221 1.00 0.00 C ATOM 1661 CE2 TYR B 90 -7.509 6.059 12.546 1.00 0.00 C ATOM 1662 CZ TYR B 90 -8.333 7.039 13.058 1.00 0.00 C ATOM 1663 OH TYR B 90 -8.580 7.090 14.411 1.00 0.00 O ATOM 0 H TYR B 90 -7.716 6.580 6.306 1.00 0.00 H new ATOM 0 HA TYR B 90 -7.672 4.748 8.605 1.00 0.00 H new ATOM 0 HB2 TYR B 90 -6.486 6.944 8.675 1.00 0.00 H new ATOM 0 HB3 TYR B 90 -8.003 7.767 8.367 1.00 0.00 H new ATOM 0 HD1 TYR B 90 -9.119 8.644 10.208 1.00 0.00 H new ATOM 0 HD2 TYR B 90 -6.614 5.244 10.791 1.00 0.00 H new ATOM 0 HE1 TYR B 90 -9.556 8.735 12.625 1.00 0.00 H new ATOM 0 HE2 TYR B 90 -7.058 5.332 13.205 1.00 0.00 H new ATOM 0 HH TYR B 90 -8.902 6.217 14.718 1.00 0.00 H new ATOM 1673 N ARG B 91 -10.132 4.337 8.412 1.00 0.00 N ATOM 1674 CA ARG B 91 -11.567 4.124 8.549 1.00 0.00 C ATOM 1675 C ARG B 91 -11.856 2.934 9.456 1.00 0.00 C ATOM 1676 O ARG B 91 -10.945 2.361 10.055 1.00 0.00 O ATOM 1677 CB ARG B 91 -12.203 3.892 7.176 1.00 0.00 C ATOM 1678 CG ARG B 91 -11.760 2.600 6.510 1.00 0.00 C ATOM 1679 CD ARG B 91 -12.383 2.443 5.133 1.00 0.00 C ATOM 1680 NE ARG B 91 -11.970 3.502 4.216 1.00 0.00 N ATOM 1681 CZ ARG B 91 -12.371 3.582 2.951 1.00 0.00 C ATOM 1682 NH1 ARG B 91 -13.200 2.672 2.457 1.00 0.00 N ATOM 1683 NH2 ARG B 91 -11.945 4.571 2.180 1.00 0.00 N ATOM 0 H ARG B 91 -9.576 3.482 8.432 1.00 0.00 H new ATOM 0 HA ARG B 91 -11.999 5.018 8.999 1.00 0.00 H new ATOM 0 HB2 ARG B 91 -13.288 3.882 7.285 1.00 0.00 H new ATOM 0 HB3 ARG B 91 -11.956 4.730 6.524 1.00 0.00 H new ATOM 0 HG2 ARG B 91 -10.674 2.588 6.423 1.00 0.00 H new ATOM 0 HG3 ARG B 91 -12.039 1.752 7.136 1.00 0.00 H new ATOM 0 HD2 ARG B 91 -12.102 1.475 4.717 1.00 0.00 H new ATOM 0 HD3 ARG B 91 -13.469 2.448 5.225 1.00 0.00 H new ATOM 0 HE ARG B 91 -11.338 4.222 4.566 1.00 0.00 H new ATOM 0 HH11 ARG B 91 -13.531 1.909 3.048 1.00 0.00 H new ATOM 0 HH12 ARG B 91 -13.507 2.735 1.486 1.00 0.00 H new ATOM 0 HH21 ARG B 91 -11.308 5.273 2.556 1.00 0.00 H new ATOM 0 HH22 ARG B 91 -12.254 4.631 1.210 1.00 0.00 H new ATOM 1697 N ARG B 92 -13.129 2.565 9.552 1.00 0.00 N ATOM 1698 CA ARG B 92 -13.538 1.439 10.381 1.00 0.00 C ATOM 1699 C ARG B 92 -13.383 0.124 9.609 1.00 0.00 C ATOM 1700 O ARG B 92 -13.967 -0.043 8.537 1.00 0.00 O ATOM 1701 CB ARG B 92 -14.986 1.621 10.841 1.00 0.00 C ATOM 1702 CG ARG B 92 -15.203 2.880 11.667 1.00 0.00 C ATOM 1703 CD ARG B 92 -16.640 2.996 12.153 1.00 0.00 C ATOM 1704 NE ARG B 92 -16.831 4.149 13.030 1.00 0.00 N ATOM 1705 CZ ARG B 92 -18.018 4.547 13.476 1.00 0.00 C ATOM 1706 NH1 ARG B 92 -19.117 3.890 13.127 1.00 0.00 N ATOM 1707 NH2 ARG B 92 -18.108 5.604 14.274 1.00 0.00 N ATOM 0 H ARG B 92 -13.895 3.030 9.065 1.00 0.00 H new ATOM 0 HA ARG B 92 -12.895 1.400 11.260 1.00 0.00 H new ATOM 0 HB2 ARG B 92 -15.636 1.652 9.967 1.00 0.00 H new ATOM 0 HB3 ARG B 92 -15.284 0.753 11.429 1.00 0.00 H new ATOM 0 HG2 ARG B 92 -14.529 2.873 12.524 1.00 0.00 H new ATOM 0 HG3 ARG B 92 -14.950 3.755 11.069 1.00 0.00 H new ATOM 0 HD2 ARG B 92 -17.307 3.079 11.295 1.00 0.00 H new ATOM 0 HD3 ARG B 92 -16.917 2.086 12.685 1.00 0.00 H new ATOM 0 HE ARG B 92 -16.007 4.678 13.316 1.00 0.00 H new ATOM 0 HH11 ARG B 92 -19.052 3.077 12.515 1.00 0.00 H new ATOM 0 HH12 ARG B 92 -20.026 4.198 13.471 1.00 0.00 H new ATOM 0 HH21 ARG B 92 -17.266 6.111 14.545 1.00 0.00 H new ATOM 0 HH22 ARG B 92 -19.019 5.909 14.616 1.00 0.00 H new ATOM 1721 N PRO B 93 -12.593 -0.827 10.146 1.00 0.00 N ATOM 1722 CA PRO B 93 -12.351 -2.122 9.495 1.00 0.00 C ATOM 1723 C PRO B 93 -13.633 -2.898 9.197 1.00 0.00 C ATOM 1724 O PRO B 93 -13.812 -3.413 8.094 1.00 0.00 O ATOM 1725 CB PRO B 93 -11.494 -2.882 10.514 1.00 0.00 C ATOM 1726 CG PRO B 93 -10.856 -1.818 11.338 1.00 0.00 C ATOM 1727 CD PRO B 93 -11.871 -0.717 11.428 1.00 0.00 C ATOM 0 HA PRO B 93 -11.877 -1.992 8.522 1.00 0.00 H new ATOM 0 HB2 PRO B 93 -12.103 -3.546 11.127 1.00 0.00 H new ATOM 0 HB3 PRO B 93 -10.746 -3.502 10.019 1.00 0.00 H new ATOM 0 HG2 PRO B 93 -10.594 -2.192 12.328 1.00 0.00 H new ATOM 0 HG3 PRO B 93 -9.934 -1.465 10.877 1.00 0.00 H new ATOM 0 HD2 PRO B 93 -12.538 -0.851 12.280 1.00 0.00 H new ATOM 0 HD3 PRO B 93 -11.399 0.259 11.543 1.00 0.00 H new ATOM 1735 N TRP B 94 -14.524 -2.979 10.183 1.00 0.00 N ATOM 1736 CA TRP B 94 -15.778 -3.708 10.016 1.00 0.00 C ATOM 1737 C TRP B 94 -16.612 -3.139 8.870 1.00 0.00 C ATOM 1738 O TRP B 94 -17.511 -3.808 8.358 1.00 0.00 O ATOM 1739 CB TRP B 94 -16.586 -3.695 11.316 1.00 0.00 C ATOM 1740 CG TRP B 94 -16.805 -2.324 11.879 1.00 0.00 C ATOM 1741 CD1 TRP B 94 -17.626 -1.354 11.381 1.00 0.00 C ATOM 1742 CD2 TRP B 94 -16.194 -1.772 13.051 1.00 0.00 C ATOM 1743 NE1 TRP B 94 -17.561 -0.232 12.168 1.00 0.00 N ATOM 1744 CE2 TRP B 94 -16.689 -0.463 13.201 1.00 0.00 C ATOM 1745 CE3 TRP B 94 -15.277 -2.256 13.988 1.00 0.00 C ATOM 1746 CZ2 TRP B 94 -16.297 0.366 14.248 1.00 0.00 C ATOM 1747 CZ3 TRP B 94 -14.889 -1.432 15.028 1.00 0.00 C ATOM 1748 CH2 TRP B 94 -15.399 -0.133 15.152 1.00 0.00 C ATOM 0 H TRP B 94 -14.402 -2.551 11.101 1.00 0.00 H new ATOM 0 HA TRP B 94 -15.526 -4.739 9.766 1.00 0.00 H new ATOM 0 HB2 TRP B 94 -17.554 -4.162 11.136 1.00 0.00 H new ATOM 0 HB3 TRP B 94 -16.071 -4.305 12.059 1.00 0.00 H new ATOM 0 HD1 TRP B 94 -18.238 -1.455 10.497 1.00 0.00 H new ATOM 0 HE1 TRP B 94 -18.077 0.633 12.010 1.00 0.00 H new ATOM 0 HE3 TRP B 94 -14.879 -3.256 13.901 1.00 0.00 H new ATOM 0 HZ2 TRP B 94 -16.688 1.368 14.344 1.00 0.00 H new ATOM 0 HZ3 TRP B 94 -14.181 -1.796 15.757 1.00 0.00 H new ATOM 0 HH2 TRP B 94 -15.077 0.486 15.976 1.00 0.00 H new ATOM 1759 N GLU B 95 -16.316 -1.905 8.468 1.00 0.00 N ATOM 1760 CA GLU B 95 -17.046 -1.268 7.375 1.00 0.00 C ATOM 1761 C GLU B 95 -16.490 -1.703 6.024 1.00 0.00 C ATOM 1762 O GLU B 95 -15.274 -1.795 5.843 1.00 0.00 O ATOM 1763 CB GLU B 95 -16.986 0.257 7.495 1.00 0.00 C ATOM 1764 CG GLU B 95 -17.741 0.808 8.689 1.00 0.00 C ATOM 1765 CD GLU B 95 -17.949 2.308 8.607 1.00 0.00 C ATOM 1766 OE1 GLU B 95 -17.025 3.059 8.986 1.00 0.00 O ATOM 1767 OE2 GLU B 95 -19.037 2.732 8.163 1.00 0.00 O ATOM 0 H GLU B 95 -15.581 -1.330 8.879 1.00 0.00 H new ATOM 0 HA GLU B 95 -18.087 -1.584 7.444 1.00 0.00 H new ATOM 0 HB2 GLU B 95 -15.943 0.566 7.563 1.00 0.00 H new ATOM 0 HB3 GLU B 95 -17.391 0.700 6.585 1.00 0.00 H new ATOM 0 HG2 GLU B 95 -18.710 0.314 8.761 1.00 0.00 H new ATOM 0 HG3 GLU B 95 -17.194 0.570 9.601 1.00 0.00 H new ATOM 1774 N LYS B 96 -17.386 -1.970 5.078 1.00 0.00 N ATOM 1775 CA LYS B 96 -16.983 -2.395 3.742 1.00 0.00 C ATOM 1776 C LYS B 96 -16.501 -1.206 2.916 1.00 0.00 C ATOM 1777 O LYS B 96 -15.359 -1.180 2.459 1.00 0.00 O ATOM 1778 CB LYS B 96 -18.150 -3.088 3.033 1.00 0.00 C ATOM 1779 CG LYS B 96 -17.812 -3.580 1.633 1.00 0.00 C ATOM 1780 CD LYS B 96 -16.730 -4.651 1.660 1.00 0.00 C ATOM 1781 CE LYS B 96 -16.395 -5.139 0.260 1.00 0.00 C ATOM 1782 NZ LYS B 96 -15.329 -6.179 0.274 1.00 0.00 N ATOM 0 H LYS B 96 -18.395 -1.900 5.212 1.00 0.00 H new ATOM 0 HA LYS B 96 -16.158 -3.100 3.843 1.00 0.00 H new ATOM 0 HB2 LYS B 96 -18.479 -3.934 3.636 1.00 0.00 H new ATOM 0 HB3 LYS B 96 -18.989 -2.395 2.972 1.00 0.00 H new ATOM 0 HG2 LYS B 96 -18.709 -3.981 1.161 1.00 0.00 H new ATOM 0 HG3 LYS B 96 -17.479 -2.741 1.023 1.00 0.00 H new ATOM 0 HD2 LYS B 96 -15.832 -4.251 2.132 1.00 0.00 H new ATOM 0 HD3 LYS B 96 -17.063 -5.491 2.269 1.00 0.00 H new ATOM 0 HE2 LYS B 96 -17.292 -5.545 -0.207 1.00 0.00 H new ATOM 0 HE3 LYS B 96 -16.072 -4.296 -0.351 1.00 0.00 H new ATOM 0 HZ1 LYS B 96 -15.130 -6.485 -0.700 1.00 0.00 H new ATOM 0 HZ2 LYS B 96 -14.464 -5.784 0.696 1.00 0.00 H new ATOM 0 HZ3 LYS B 96 -15.647 -6.995 0.835 1.00 0.00 H new ATOM 1796 N ASP B 97 -17.382 -0.227 2.728 1.00 0.00 N ATOM 1797 CA ASP B 97 -17.045 0.963 1.957 1.00 0.00 C ATOM 1798 C ASP B 97 -17.742 2.197 2.522 1.00 0.00 C ATOM 1799 O ASP B 97 -18.933 2.410 2.292 1.00 0.00 O ATOM 1800 CB ASP B 97 -17.432 0.771 0.489 1.00 0.00 C ATOM 1801 CG ASP B 97 -17.091 1.978 -0.362 1.00 0.00 C ATOM 1802 OD1 ASP B 97 -17.953 2.875 -0.492 1.00 0.00 O ATOM 1803 OD2 ASP B 97 -15.966 2.028 -0.900 1.00 0.00 O ATOM 0 H ASP B 97 -18.332 -0.235 3.099 1.00 0.00 H new ATOM 0 HA ASP B 97 -15.968 1.115 2.026 1.00 0.00 H new ATOM 0 HB2 ASP B 97 -16.920 -0.106 0.093 1.00 0.00 H new ATOM 0 HB3 ASP B 97 -18.502 0.573 0.421 1.00 0.00 H new ATOM 1808 N ALA B 98 -16.992 3.004 3.265 1.00 0.00 N ATOM 1809 CA ALA B 98 -17.534 4.221 3.862 1.00 0.00 C ATOM 1810 C ALA B 98 -16.578 5.393 3.672 1.00 0.00 C ATOM 1811 O ALA B 98 -15.516 5.247 3.067 1.00 0.00 O ATOM 1812 CB ALA B 98 -17.816 4.001 5.340 1.00 0.00 C ATOM 0 H ALA B 98 -16.006 2.838 3.469 1.00 0.00 H new ATOM 0 HA ALA B 98 -18.470 4.462 3.357 1.00 0.00 H new ATOM 0 HB1 ALA B 98 -18.220 4.916 5.773 1.00 0.00 H new ATOM 0 HB2 ALA B 98 -18.540 3.194 5.456 1.00 0.00 H new ATOM 0 HB3 ALA B 98 -16.891 3.735 5.851 1.00 0.00 H new ATOM 1818 N GLU B 99 -16.962 6.557 4.190 1.00 0.00 N ATOM 1819 CA GLU B 99 -16.135 7.752 4.076 1.00 0.00 C ATOM 1820 C GLU B 99 -15.158 7.856 5.248 1.00 0.00 C ATOM 1821 O GLU B 99 -15.566 8.107 6.382 1.00 0.00 O ATOM 1822 CB GLU B 99 -17.010 9.004 4.012 1.00 0.00 C ATOM 1823 CG GLU B 99 -17.645 9.227 2.653 1.00 0.00 C ATOM 1824 CD GLU B 99 -18.402 10.537 2.568 1.00 0.00 C ATOM 1825 OE1 GLU B 99 -17.784 11.557 2.194 1.00 0.00 O ATOM 1826 OE2 GLU B 99 -19.614 10.545 2.874 1.00 0.00 O ATOM 0 H GLU B 99 -17.839 6.697 4.692 1.00 0.00 H new ATOM 0 HA GLU B 99 -15.559 7.675 3.154 1.00 0.00 H new ATOM 0 HB2 GLU B 99 -17.796 8.928 4.764 1.00 0.00 H new ATOM 0 HB3 GLU B 99 -16.406 9.874 4.270 1.00 0.00 H new ATOM 0 HG2 GLU B 99 -16.870 9.210 1.887 1.00 0.00 H new ATOM 0 HG3 GLU B 99 -18.326 8.404 2.435 1.00 0.00 H new ATOM 1833 N PRO B 100 -13.851 7.666 4.986 1.00 0.00 N ATOM 1834 CA PRO B 100 -12.818 7.739 6.025 1.00 0.00 C ATOM 1835 C PRO B 100 -12.505 9.172 6.435 1.00 0.00 C ATOM 1836 O PRO B 100 -12.827 10.120 5.719 1.00 0.00 O ATOM 1837 CB PRO B 100 -11.602 7.107 5.352 1.00 0.00 C ATOM 1838 CG PRO B 100 -11.789 7.391 3.901 1.00 0.00 C ATOM 1839 CD PRO B 100 -13.275 7.358 3.660 1.00 0.00 C ATOM 0 HA PRO B 100 -13.129 7.241 6.943 1.00 0.00 H new ATOM 0 HB2 PRO B 100 -10.673 7.539 5.724 1.00 0.00 H new ATOM 0 HB3 PRO B 100 -11.555 6.035 5.544 1.00 0.00 H new ATOM 0 HG2 PRO B 100 -11.372 8.363 3.637 1.00 0.00 H new ATOM 0 HG3 PRO B 100 -11.278 6.648 3.289 1.00 0.00 H new ATOM 0 HD2 PRO B 100 -13.576 8.092 2.912 1.00 0.00 H new ATOM 0 HD3 PRO B 100 -13.601 6.383 3.299 1.00 0.00 H new ATOM 1847 N ALA B 101 -11.872 9.323 7.596 1.00 0.00 N ATOM 1848 CA ALA B 101 -11.500 10.639 8.098 1.00 0.00 C ATOM 1849 C ALA B 101 -10.190 11.091 7.473 1.00 0.00 C ATOM 1850 O ALA B 101 -10.069 12.217 6.990 1.00 0.00 O ATOM 1851 CB ALA B 101 -11.390 10.617 9.616 1.00 0.00 C ATOM 0 H ALA B 101 -11.607 8.549 8.205 1.00 0.00 H new ATOM 0 HA ALA B 101 -12.278 11.350 7.821 1.00 0.00 H new ATOM 0 HB1 ALA B 101 -11.111 11.608 9.975 1.00 0.00 H new ATOM 0 HB2 ALA B 101 -12.350 10.332 10.046 1.00 0.00 H new ATOM 0 HB3 ALA B 101 -10.630 9.896 9.915 1.00 0.00 H new ATOM 1857 N GLU B 102 -9.210 10.198 7.492 1.00 0.00 N ATOM 1858 CA GLU B 102 -7.898 10.476 6.921 1.00 0.00 C ATOM 1859 C GLU B 102 -7.678 9.671 5.654 1.00 0.00 C ATOM 1860 O GLU B 102 -8.623 9.160 5.052 1.00 0.00 O ATOM 1861 CB GLU B 102 -6.793 10.147 7.922 1.00 0.00 C ATOM 1862 CG GLU B 102 -6.400 11.307 8.810 1.00 0.00 C ATOM 1863 CD GLU B 102 -6.211 12.602 8.043 1.00 0.00 C ATOM 1864 OE1 GLU B 102 -7.188 13.370 7.922 1.00 0.00 O ATOM 1865 OE2 GLU B 102 -5.084 12.849 7.564 1.00 0.00 O ATOM 0 H GLU B 102 -9.300 9.267 7.900 1.00 0.00 H new ATOM 0 HA GLU B 102 -7.862 11.539 6.680 1.00 0.00 H new ATOM 0 HB2 GLU B 102 -7.120 9.318 8.549 1.00 0.00 H new ATOM 0 HB3 GLU B 102 -5.913 9.806 7.377 1.00 0.00 H new ATOM 0 HG2 GLU B 102 -7.167 11.451 9.572 1.00 0.00 H new ATOM 0 HG3 GLU B 102 -5.475 11.061 9.331 1.00 0.00 H new ATOM 1872 N SER B 103 -6.415 9.558 5.262 1.00 0.00 N ATOM 1873 CA SER B 103 -6.047 8.810 4.063 1.00 0.00 C ATOM 1874 C SER B 103 -4.535 8.765 3.884 1.00 0.00 C ATOM 1875 O SER B 103 -3.806 9.591 4.436 1.00 0.00 O ATOM 1876 CB SER B 103 -6.698 9.428 2.824 1.00 0.00 C ATOM 1877 OG SER B 103 -6.284 10.771 2.645 1.00 0.00 O ATOM 0 H SER B 103 -5.626 9.975 5.757 1.00 0.00 H new ATOM 0 HA SER B 103 -6.410 7.789 4.185 1.00 0.00 H new ATOM 0 HB2 SER B 103 -6.436 8.843 1.942 1.00 0.00 H new ATOM 0 HB3 SER B 103 -7.783 9.389 2.922 1.00 0.00 H new ATOM 0 HG SER B 103 -6.713 11.142 1.846 1.00 0.00 H new ATOM 1883 N PHE B 104 -4.070 7.792 3.106 1.00 0.00 N ATOM 1884 CA PHE B 104 -2.644 7.629 2.848 1.00 0.00 C ATOM 1885 C PHE B 104 -2.415 6.923 1.511 1.00 0.00 C ATOM 1886 O PHE B 104 -3.169 6.027 1.136 1.00 0.00 O ATOM 1887 CB PHE B 104 -1.989 6.834 3.979 1.00 0.00 C ATOM 1888 CG PHE B 104 -0.490 6.841 3.939 1.00 0.00 C ATOM 1889 CD1 PHE B 104 0.224 7.914 4.447 1.00 0.00 C ATOM 1890 CD2 PHE B 104 0.207 5.773 3.399 1.00 0.00 C ATOM 1891 CE1 PHE B 104 1.604 7.922 4.419 1.00 0.00 C ATOM 1892 CE2 PHE B 104 1.588 5.776 3.365 1.00 0.00 C ATOM 1893 CZ PHE B 104 2.288 6.850 3.876 1.00 0.00 C ATOM 0 H PHE B 104 -4.662 7.103 2.642 1.00 0.00 H new ATOM 0 HA PHE B 104 -2.189 8.618 2.800 1.00 0.00 H new ATOM 0 HB2 PHE B 104 -2.319 7.242 4.935 1.00 0.00 H new ATOM 0 HB3 PHE B 104 -2.339 5.803 3.935 1.00 0.00 H new ATOM 0 HD1 PHE B 104 -0.306 8.755 4.870 1.00 0.00 H new ATOM 0 HD2 PHE B 104 -0.335 4.928 3.000 1.00 0.00 H new ATOM 0 HE1 PHE B 104 2.148 8.764 4.820 1.00 0.00 H new ATOM 0 HE2 PHE B 104 2.120 4.938 2.939 1.00 0.00 H new ATOM 0 HZ PHE B 104 3.368 6.853 3.852 1.00 0.00 H new ATOM 1903 N SER B 105 -1.372 7.337 0.794 1.00 0.00 N ATOM 1904 CA SER B 105 -1.053 6.739 -0.500 1.00 0.00 C ATOM 1905 C SER B 105 0.411 6.961 -0.863 1.00 0.00 C ATOM 1906 O SER B 105 0.965 8.036 -0.626 1.00 0.00 O ATOM 1907 CB SER B 105 -1.954 7.326 -1.590 1.00 0.00 C ATOM 1908 OG SER B 105 -3.321 7.071 -1.318 1.00 0.00 O ATOM 0 H SER B 105 -0.737 8.080 1.085 1.00 0.00 H new ATOM 0 HA SER B 105 -1.229 5.666 -0.427 1.00 0.00 H new ATOM 0 HB2 SER B 105 -1.789 8.401 -1.662 1.00 0.00 H new ATOM 0 HB3 SER B 105 -1.687 6.898 -2.556 1.00 0.00 H new ATOM 0 HG SER B 105 -3.394 6.384 -0.623 1.00 0.00 H new ATOM 1914 N CYS B 106 1.033 5.937 -1.444 1.00 0.00 N ATOM 1915 CA CYS B 106 2.433 6.017 -1.846 1.00 0.00 C ATOM 1916 C CYS B 106 2.705 5.137 -3.062 1.00 0.00 C ATOM 1917 O CYS B 106 2.390 3.946 -3.062 1.00 0.00 O ATOM 1918 CB CYS B 106 3.346 5.600 -0.692 1.00 0.00 C ATOM 1919 SG CYS B 106 3.442 6.817 0.661 1.00 0.00 S ATOM 0 H CYS B 106 0.588 5.042 -1.646 1.00 0.00 H new ATOM 0 HA CYS B 106 2.644 7.053 -2.113 1.00 0.00 H new ATOM 0 HB2 CYS B 106 2.992 4.651 -0.288 1.00 0.00 H new ATOM 0 HB3 CYS B 106 4.349 5.426 -1.081 1.00 0.00 H new ATOM 1924 N ALA B 107 3.294 5.730 -4.095 1.00 0.00 N ATOM 1925 CA ALA B 107 3.616 4.999 -5.317 1.00 0.00 C ATOM 1926 C ALA B 107 4.907 4.208 -5.143 1.00 0.00 C ATOM 1927 O ALA B 107 5.845 4.668 -4.493 1.00 0.00 O ATOM 1928 CB ALA B 107 3.732 5.958 -6.491 1.00 0.00 C ATOM 0 H ALA B 107 3.558 6.715 -4.111 1.00 0.00 H new ATOM 0 HA ALA B 107 2.809 4.296 -5.523 1.00 0.00 H new ATOM 0 HB1 ALA B 107 3.972 5.399 -7.395 1.00 0.00 H new ATOM 0 HB2 ALA B 107 2.786 6.481 -6.629 1.00 0.00 H new ATOM 0 HB3 ALA B 107 4.521 6.683 -6.292 1.00 0.00 H new ATOM 1934 N ILE B 108 4.950 3.015 -5.727 1.00 0.00 N ATOM 1935 CA ILE B 108 6.128 2.160 -5.625 1.00 0.00 C ATOM 1936 C ILE B 108 6.496 1.543 -6.968 1.00 0.00 C ATOM 1937 O ILE B 108 5.763 0.714 -7.506 1.00 0.00 O ATOM 1938 CB ILE B 108 5.905 1.031 -4.601 1.00 0.00 C ATOM 1939 CG1 ILE B 108 5.554 1.622 -3.237 1.00 0.00 C ATOM 1940 CG2 ILE B 108 7.142 0.148 -4.501 1.00 0.00 C ATOM 1941 CD1 ILE B 108 4.845 0.650 -2.321 1.00 0.00 C ATOM 0 H ILE B 108 4.186 2.619 -6.274 1.00 0.00 H new ATOM 0 HA ILE B 108 6.948 2.797 -5.294 1.00 0.00 H new ATOM 0 HB ILE B 108 5.073 0.413 -4.937 1.00 0.00 H new ATOM 0 HG12 ILE B 108 6.468 1.964 -2.752 1.00 0.00 H new ATOM 0 HG13 ILE B 108 4.923 2.499 -3.382 1.00 0.00 H new ATOM 0 HG21 ILE B 108 6.966 -0.644 -3.773 1.00 0.00 H new ATOM 0 HG22 ILE B 108 7.353 -0.294 -5.475 1.00 0.00 H new ATOM 0 HG23 ILE B 108 7.994 0.750 -4.184 1.00 0.00 H new ATOM 0 HD11 ILE B 108 4.627 1.138 -1.371 1.00 0.00 H new ATOM 0 HD12 ILE B 108 3.913 0.326 -2.785 1.00 0.00 H new ATOM 0 HD13 ILE B 108 5.483 -0.216 -2.146 1.00 0.00 H new ATOM 1953 N GLN B 109 7.638 1.960 -7.504 1.00 0.00 N ATOM 1954 CA GLN B 109 8.118 1.437 -8.781 1.00 0.00 C ATOM 1955 C GLN B 109 9.354 0.559 -8.574 1.00 0.00 C ATOM 1956 O GLN B 109 10.440 1.060 -8.282 1.00 0.00 O ATOM 1957 CB GLN B 109 8.443 2.584 -9.740 1.00 0.00 C ATOM 1958 CG GLN B 109 8.874 2.118 -11.122 1.00 0.00 C ATOM 1959 CD GLN B 109 9.181 3.271 -12.057 1.00 0.00 C ATOM 1960 OE1 GLN B 109 9.610 4.340 -11.624 1.00 0.00 O ATOM 1961 NE2 GLN B 109 8.960 3.059 -13.350 1.00 0.00 N ATOM 0 H GLN B 109 8.248 2.657 -7.077 1.00 0.00 H new ATOM 0 HA GLN B 109 7.328 0.827 -9.218 1.00 0.00 H new ATOM 0 HB2 GLN B 109 7.566 3.224 -9.838 1.00 0.00 H new ATOM 0 HB3 GLN B 109 9.236 3.194 -9.308 1.00 0.00 H new ATOM 0 HG2 GLN B 109 9.757 1.486 -11.029 1.00 0.00 H new ATOM 0 HG3 GLN B 109 8.086 1.503 -11.556 1.00 0.00 H new ATOM 0 HE21 GLN B 109 8.604 2.157 -13.665 1.00 0.00 H new ATOM 0 HE22 GLN B 109 9.147 3.798 -14.027 1.00 0.00 H new ATOM 1970 N VAL B 110 9.180 -0.752 -8.726 1.00 0.00 N ATOM 1971 CA VAL B 110 10.282 -1.692 -8.548 1.00 0.00 C ATOM 1972 C VAL B 110 10.885 -2.101 -9.885 1.00 0.00 C ATOM 1973 O VAL B 110 10.221 -2.055 -10.920 1.00 0.00 O ATOM 1974 CB VAL B 110 9.831 -2.963 -7.805 1.00 0.00 C ATOM 1975 CG1 VAL B 110 11.032 -3.786 -7.363 1.00 0.00 C ATOM 1976 CG2 VAL B 110 8.963 -2.602 -6.613 1.00 0.00 C ATOM 0 H VAL B 110 8.290 -1.185 -8.971 1.00 0.00 H new ATOM 0 HA VAL B 110 11.033 -1.174 -7.952 1.00 0.00 H new ATOM 0 HB VAL B 110 9.240 -3.568 -8.492 1.00 0.00 H new ATOM 0 HG11 VAL B 110 10.689 -4.679 -6.840 1.00 0.00 H new ATOM 0 HG12 VAL B 110 11.614 -4.078 -8.237 1.00 0.00 H new ATOM 0 HG13 VAL B 110 11.655 -3.191 -6.695 1.00 0.00 H new ATOM 0 HG21 VAL B 110 8.653 -3.512 -6.100 1.00 0.00 H new ATOM 0 HG22 VAL B 110 9.531 -1.973 -5.927 1.00 0.00 H new ATOM 0 HG23 VAL B 110 8.081 -2.061 -6.956 1.00 0.00 H new ATOM 1986 N ARG B 111 12.150 -2.502 -9.850 1.00 0.00 N ATOM 1987 CA ARG B 111 12.854 -2.929 -11.042 1.00 0.00 C ATOM 1988 C ARG B 111 14.098 -3.736 -10.677 1.00 0.00 C ATOM 1989 O ARG B 111 14.019 -4.984 -10.692 1.00 0.00 O ATOM 1990 CB ARG B 111 13.237 -1.724 -11.883 1.00 0.00 C ATOM 1991 CG ARG B 111 14.101 -2.088 -13.058 1.00 0.00 C ATOM 1992 CD ARG B 111 13.302 -2.839 -14.094 1.00 0.00 C ATOM 1993 NE ARG B 111 14.114 -3.236 -15.242 1.00 0.00 N ATOM 1994 CZ ARG B 111 13.654 -3.959 -16.258 1.00 0.00 C ATOM 1995 NH1 ARG B 111 12.391 -4.367 -16.269 1.00 0.00 N ATOM 1996 NH2 ARG B 111 14.456 -4.275 -17.266 1.00 0.00 N ATOM 1997 OXT ARG B 111 15.139 -3.114 -10.375 1.00 0.00 O ATOM 0 H ARG B 111 12.709 -2.539 -8.998 1.00 0.00 H new ATOM 0 HA ARG B 111 12.190 -3.569 -11.623 1.00 0.00 H new ATOM 0 HB2 ARG B 111 12.332 -1.233 -12.241 1.00 0.00 H new ATOM 0 HB3 ARG B 111 13.765 -1.003 -11.259 1.00 0.00 H new ATOM 0 HG2 ARG B 111 14.522 -1.185 -13.500 1.00 0.00 H new ATOM 0 HG3 ARG B 111 14.939 -2.700 -12.724 1.00 0.00 H new ATOM 0 HD2 ARG B 111 12.864 -3.727 -13.638 1.00 0.00 H new ATOM 0 HD3 ARG B 111 12.476 -2.215 -14.435 1.00 0.00 H new ATOM 0 HE ARG B 111 15.090 -2.941 -15.265 1.00 0.00 H new ATOM 0 HH11 ARG B 111 11.770 -4.126 -15.496 1.00 0.00 H new ATOM 0 HH12 ARG B 111 12.041 -4.922 -17.050 1.00 0.00 H new ATOM 0 HH21 ARG B 111 15.427 -3.963 -17.262 1.00 0.00 H new ATOM 0 HH22 ARG B 111 14.102 -4.830 -18.045 1.00 0.00 H new