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 Set 1.1: B 20 GLN : amide:sc= -4.63! C(o=-5.1!,f=-4!) USER MOD Set 1.2: B 81 SER OG : rot 160:sc= -0.455 USER MOD Set 2.1: B 30 SER OG : rot 28:sc= 0.337 USER MOD Set 2.2: B 72 SER OG : rot 84:sc= 0.0872 USER MOD Single : B 6 THR OG1 : rot 180:sc= 0.0055 USER MOD Single : B 14 SER OG : rot 180:sc= -0.221 USER MOD Single : B 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 THR OG1 : rot 180:sc= 0 USER MOD Single : B 22 GLN : amide:sc= -3.78! K(o=-3.8!,f=-0.86) USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 31 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : B 33 THR OG1 : rot 5:sc= 0.682 USER MOD Single : B 34 THR OG1 : rot 49:sc= 0.149 USER MOD Single : B 42 ASN : amide:sc= 0.545 K(o=0.54,f=-1.7!) USER MOD Single : B 46 SER OG : rot 180:sc= 0 USER MOD Single : B 49 LYS NZ :NH3+ -147:sc= -2.13! (180deg=-3.96!) USER MOD Single : B 73 THR OG1 : rot 180:sc= 0 USER MOD Single : B 90 TYR OH : rot 180:sc= 0 USER MOD Single : B 96 LYS NZ :NH3+ 165:sc= -0.057 (180deg=-0.346) USER MOD Single : B 103 SER OG : rot 180:sc= 0 USER MOD Single : B 105 SER OG : rot 180:sc= 0 USER MOD Single : B 109 GLN : amide:sc= -5.22! K(o=-5.2!,f=-0.59) USER MOD ----------------------------------------------------------------- ATOM 381 N VAL B 5 13.411 0.083 3.887 1.00 0.00 N ATOM 382 CA VAL B 5 13.239 1.506 3.621 1.00 0.00 C ATOM 383 C VAL B 5 12.010 2.042 4.345 1.00 0.00 C ATOM 384 O VAL B 5 10.879 1.783 3.937 1.00 0.00 O ATOM 385 CB VAL B 5 13.102 1.791 2.111 1.00 0.00 C ATOM 386 CG1 VAL B 5 12.717 3.244 1.874 1.00 0.00 C ATOM 387 CG2 VAL B 5 14.394 1.452 1.383 1.00 0.00 C ATOM 0 HA VAL B 5 14.132 2.011 3.990 1.00 0.00 H new ATOM 0 HB VAL B 5 12.309 1.158 1.712 1.00 0.00 H new ATOM 0 HG11 VAL B 5 12.625 3.426 0.803 1.00 0.00 H new ATOM 0 HG12 VAL B 5 11.764 3.452 2.361 1.00 0.00 H new ATOM 0 HG13 VAL B 5 13.486 3.896 2.288 1.00 0.00 H new ATOM 0 HG21 VAL B 5 14.278 1.660 0.319 1.00 0.00 H new ATOM 0 HG22 VAL B 5 15.207 2.057 1.784 1.00 0.00 H new ATOM 0 HG23 VAL B 5 14.624 0.396 1.523 1.00 0.00 H new ATOM 397 N THR B 6 12.240 2.791 5.418 1.00 0.00 N ATOM 398 CA THR B 6 11.155 3.357 6.206 1.00 0.00 C ATOM 399 C THR B 6 10.410 4.438 5.429 1.00 0.00 C ATOM 400 O THR B 6 10.920 4.972 4.441 1.00 0.00 O ATOM 401 CB THR B 6 11.678 3.956 7.524 1.00 0.00 C ATOM 402 OG1 THR B 6 12.745 3.148 8.038 1.00 0.00 O ATOM 403 CG2 THR B 6 10.566 4.041 8.555 1.00 0.00 C ATOM 0 H THR B 6 13.173 3.020 5.762 1.00 0.00 H new ATOM 0 HA THR B 6 10.468 2.541 6.430 1.00 0.00 H new ATOM 0 HB THR B 6 12.046 4.962 7.321 1.00 0.00 H new ATOM 0 HG1 THR B 6 13.074 3.535 8.876 1.00 0.00 H new ATOM 0 HG21 THR B 6 10.958 4.467 9.479 1.00 0.00 H new ATOM 0 HG22 THR B 6 9.765 4.674 8.174 1.00 0.00 H new ATOM 0 HG23 THR B 6 10.176 3.042 8.753 1.00 0.00 H new ATOM 411 N LEU B 7 9.202 4.756 5.881 1.00 0.00 N ATOM 412 CA LEU B 7 8.381 5.775 5.234 1.00 0.00 C ATOM 413 C LEU B 7 7.552 6.534 6.265 1.00 0.00 C ATOM 414 O LEU B 7 7.326 6.046 7.373 1.00 0.00 O ATOM 415 CB LEU B 7 7.462 5.129 4.192 1.00 0.00 C ATOM 416 CG LEU B 7 6.584 6.101 3.399 1.00 0.00 C ATOM 417 CD1 LEU B 7 7.444 7.082 2.615 1.00 0.00 C ATOM 418 CD2 LEU B 7 5.655 5.340 2.467 1.00 0.00 C ATOM 0 H LEU B 7 8.768 4.322 6.695 1.00 0.00 H new ATOM 0 HA LEU B 7 9.042 6.483 4.734 1.00 0.00 H new ATOM 0 HB2 LEU B 7 8.076 4.565 3.490 1.00 0.00 H new ATOM 0 HB3 LEU B 7 6.816 4.411 4.697 1.00 0.00 H new ATOM 0 HG LEU B 7 5.975 6.668 4.104 1.00 0.00 H new ATOM 0 HD11 LEU B 7 6.802 7.764 2.058 1.00 0.00 H new ATOM 0 HD12 LEU B 7 8.067 7.652 3.305 1.00 0.00 H new ATOM 0 HD13 LEU B 7 8.080 6.534 1.920 1.00 0.00 H new ATOM 0 HD21 LEU B 7 5.038 6.046 1.911 1.00 0.00 H new ATOM 0 HD22 LEU B 7 6.246 4.747 1.769 1.00 0.00 H new ATOM 0 HD23 LEU B 7 5.014 4.680 3.051 1.00 0.00 H new ATOM 430 N ASP B 8 7.106 7.733 5.898 1.00 0.00 N ATOM 431 CA ASP B 8 6.301 8.556 6.794 1.00 0.00 C ATOM 432 C ASP B 8 5.582 9.660 6.023 1.00 0.00 C ATOM 433 O ASP B 8 4.352 9.718 6.007 1.00 0.00 O ATOM 434 CB ASP B 8 7.181 9.169 7.886 1.00 0.00 C ATOM 435 CG ASP B 8 6.394 10.051 8.836 1.00 0.00 C ATOM 436 OD1 ASP B 8 5.887 9.528 9.850 1.00 0.00 O ATOM 437 OD2 ASP B 8 6.285 11.265 8.564 1.00 0.00 O ATOM 0 H ASP B 8 7.289 8.155 4.987 1.00 0.00 H new ATOM 0 HA ASP B 8 5.551 7.916 7.258 1.00 0.00 H new ATOM 0 HB2 ASP B 8 7.663 8.371 8.451 1.00 0.00 H new ATOM 0 HB3 ASP B 8 7.974 9.756 7.423 1.00 0.00 H new ATOM 442 N ASP B 9 6.357 10.534 5.388 1.00 0.00 N ATOM 443 CA ASP B 9 5.793 11.638 4.618 1.00 0.00 C ATOM 444 C ASP B 9 5.134 11.130 3.340 1.00 0.00 C ATOM 445 O ASP B 9 5.630 10.205 2.697 1.00 0.00 O ATOM 446 CB ASP B 9 6.882 12.656 4.275 1.00 0.00 C ATOM 447 CG ASP B 9 7.524 13.257 5.511 1.00 0.00 C ATOM 448 OD1 ASP B 9 8.525 12.689 5.996 1.00 0.00 O ATOM 449 OD2 ASP B 9 7.023 14.294 5.994 1.00 0.00 O ATOM 0 H ASP B 9 7.376 10.499 5.391 1.00 0.00 H new ATOM 0 HA ASP B 9 5.032 12.123 5.229 1.00 0.00 H new ATOM 0 HB2 ASP B 9 7.649 12.173 3.669 1.00 0.00 H new ATOM 0 HB3 ASP B 9 6.452 13.453 3.669 1.00 0.00 H new ATOM 454 N ALA B 10 4.011 11.744 2.976 1.00 0.00 N ATOM 455 CA ALA B 10 3.281 11.357 1.774 1.00 0.00 C ATOM 456 C ALA B 10 3.733 12.178 0.570 1.00 0.00 C ATOM 457 O ALA B 10 3.487 11.802 -0.578 1.00 0.00 O ATOM 458 CB ALA B 10 1.784 11.515 1.992 1.00 0.00 C ATOM 0 H ALA B 10 3.587 12.512 3.497 1.00 0.00 H new ATOM 0 HA ALA B 10 3.498 10.309 1.568 1.00 0.00 H new ATOM 0 HB1 ALA B 10 1.252 11.223 1.087 1.00 0.00 H new ATOM 0 HB2 ALA B 10 1.468 10.880 2.820 1.00 0.00 H new ATOM 0 HB3 ALA B 10 1.558 12.555 2.226 1.00 0.00 H new ATOM 464 N ASP B 11 4.392 13.299 0.840 1.00 0.00 N ATOM 465 CA ASP B 11 4.880 14.175 -0.221 1.00 0.00 C ATOM 466 C ASP B 11 6.092 13.564 -0.917 1.00 0.00 C ATOM 467 O ASP B 11 6.314 13.788 -2.108 1.00 0.00 O ATOM 468 CB ASP B 11 5.242 15.549 0.347 1.00 0.00 C ATOM 469 CG ASP B 11 5.756 16.499 -0.716 1.00 0.00 C ATOM 470 OD1 ASP B 11 6.984 16.531 -0.939 1.00 0.00 O ATOM 471 OD2 ASP B 11 4.930 17.211 -1.326 1.00 0.00 O ATOM 0 H ASP B 11 4.601 13.624 1.784 1.00 0.00 H new ATOM 0 HA ASP B 11 4.083 14.292 -0.955 1.00 0.00 H new ATOM 0 HB2 ASP B 11 4.364 15.984 0.825 1.00 0.00 H new ATOM 0 HB3 ASP B 11 6.000 15.430 1.121 1.00 0.00 H new ATOM 476 N ASP B 12 6.872 12.791 -0.166 1.00 0.00 N ATOM 477 CA ASP B 12 8.060 12.146 -0.708 1.00 0.00 C ATOM 478 C ASP B 12 7.696 10.861 -1.443 1.00 0.00 C ATOM 479 O ASP B 12 8.563 10.183 -1.993 1.00 0.00 O ATOM 480 CB ASP B 12 9.049 11.840 0.416 1.00 0.00 C ATOM 481 CG ASP B 12 9.575 13.097 1.083 1.00 0.00 C ATOM 482 OD1 ASP B 12 8.944 13.562 2.055 1.00 0.00 O ATOM 483 OD2 ASP B 12 10.620 13.614 0.634 1.00 0.00 O ATOM 0 H ASP B 12 6.701 12.597 0.821 1.00 0.00 H new ATOM 0 HA ASP B 12 8.523 12.829 -1.420 1.00 0.00 H new ATOM 0 HB2 ASP B 12 8.563 11.212 1.163 1.00 0.00 H new ATOM 0 HB3 ASP B 12 9.885 11.268 0.014 1.00 0.00 H new ATOM 488 N CYS B 13 6.409 10.532 -1.450 1.00 0.00 N ATOM 489 CA CYS B 13 5.927 9.327 -2.115 1.00 0.00 C ATOM 490 C CYS B 13 5.756 9.560 -3.613 1.00 0.00 C ATOM 491 O CYS B 13 4.992 10.428 -4.036 1.00 0.00 O ATOM 492 CB CYS B 13 4.605 8.871 -1.498 1.00 0.00 C ATOM 493 SG CYS B 13 4.740 8.360 0.246 1.00 0.00 S ATOM 0 H CYS B 13 5.679 11.085 -1.001 1.00 0.00 H new ATOM 0 HA CYS B 13 6.671 8.543 -1.974 1.00 0.00 H new ATOM 0 HB2 CYS B 13 3.881 9.683 -1.573 1.00 0.00 H new ATOM 0 HB3 CYS B 13 4.212 8.038 -2.081 1.00 0.00 H new ATOM 498 N SER B 14 6.475 8.775 -4.406 1.00 0.00 N ATOM 499 CA SER B 14 6.416 8.884 -5.860 1.00 0.00 C ATOM 500 C SER B 14 6.816 7.562 -6.510 1.00 0.00 C ATOM 501 O SER B 14 7.444 6.723 -5.866 1.00 0.00 O ATOM 502 CB SER B 14 7.342 9.998 -6.340 1.00 0.00 C ATOM 503 OG SER B 14 7.062 11.221 -5.677 1.00 0.00 O ATOM 0 H SER B 14 7.109 8.052 -4.065 1.00 0.00 H new ATOM 0 HA SER B 14 5.392 9.121 -6.148 1.00 0.00 H new ATOM 0 HB2 SER B 14 8.379 9.714 -6.162 1.00 0.00 H new ATOM 0 HB3 SER B 14 7.228 10.130 -7.416 1.00 0.00 H new ATOM 0 HG SER B 14 7.671 11.916 -6.003 1.00 0.00 H new ATOM 509 N PRO B 15 6.455 7.352 -7.792 1.00 0.00 N ATOM 510 CA PRO B 15 6.801 6.121 -8.512 1.00 0.00 C ATOM 511 C PRO B 15 8.311 5.960 -8.658 1.00 0.00 C ATOM 512 O PRO B 15 8.876 6.224 -9.720 1.00 0.00 O ATOM 513 CB PRO B 15 6.141 6.301 -9.884 1.00 0.00 C ATOM 514 CG PRO B 15 5.930 7.770 -10.023 1.00 0.00 C ATOM 515 CD PRO B 15 5.680 8.283 -8.634 1.00 0.00 C ATOM 0 HA PRO B 15 6.461 5.228 -7.987 1.00 0.00 H new ATOM 0 HB2 PRO B 15 6.777 5.917 -10.681 1.00 0.00 H new ATOM 0 HB3 PRO B 15 5.197 5.760 -9.941 1.00 0.00 H new ATOM 0 HG2 PRO B 15 6.803 8.250 -10.465 1.00 0.00 H new ATOM 0 HG3 PRO B 15 5.084 7.983 -10.676 1.00 0.00 H new ATOM 0 HD2 PRO B 15 6.020 9.312 -8.516 1.00 0.00 H new ATOM 0 HD3 PRO B 15 4.619 8.267 -8.383 1.00 0.00 H new ATOM 523 N LEU B 16 8.955 5.529 -7.579 1.00 0.00 N ATOM 524 CA LEU B 16 10.394 5.338 -7.564 1.00 0.00 C ATOM 525 C LEU B 16 10.765 3.880 -7.811 1.00 0.00 C ATOM 526 O LEU B 16 10.096 2.971 -7.327 1.00 0.00 O ATOM 527 CB LEU B 16 10.958 5.794 -6.219 1.00 0.00 C ATOM 528 CG LEU B 16 12.445 5.520 -6.026 1.00 0.00 C ATOM 529 CD1 LEU B 16 13.238 6.187 -7.136 1.00 0.00 C ATOM 530 CD2 LEU B 16 12.905 6.007 -4.662 1.00 0.00 C ATOM 0 H LEU B 16 8.494 5.304 -6.697 1.00 0.00 H new ATOM 0 HA LEU B 16 10.824 5.936 -8.368 1.00 0.00 H new ATOM 0 HB2 LEU B 16 10.783 6.864 -6.111 1.00 0.00 H new ATOM 0 HB3 LEU B 16 10.405 5.298 -5.421 1.00 0.00 H new ATOM 0 HG LEU B 16 12.617 4.445 -6.072 1.00 0.00 H new ATOM 0 HD11 LEU B 16 14.300 5.989 -6.994 1.00 0.00 H new ATOM 0 HD12 LEU B 16 12.920 5.789 -8.100 1.00 0.00 H new ATOM 0 HD13 LEU B 16 13.063 7.263 -7.112 1.00 0.00 H new ATOM 0 HD21 LEU B 16 13.969 5.803 -4.543 1.00 0.00 H new ATOM 0 HD22 LEU B 16 12.730 7.080 -4.581 1.00 0.00 H new ATOM 0 HD23 LEU B 16 12.346 5.488 -3.883 1.00 0.00 H new ATOM 542 N LYS B 17 11.845 3.668 -8.558 1.00 0.00 N ATOM 543 CA LYS B 17 12.311 2.322 -8.860 1.00 0.00 C ATOM 544 C LYS B 17 12.974 1.690 -7.643 1.00 0.00 C ATOM 545 O LYS B 17 13.694 2.351 -6.896 1.00 0.00 O ATOM 546 CB LYS B 17 13.288 2.338 -10.035 1.00 0.00 C ATOM 547 CG LYS B 17 12.605 2.367 -11.390 1.00 0.00 C ATOM 548 CD LYS B 17 11.959 3.716 -11.664 1.00 0.00 C ATOM 549 CE LYS B 17 11.300 3.750 -13.034 1.00 0.00 C ATOM 550 NZ LYS B 17 10.674 5.071 -13.317 1.00 0.00 N ATOM 0 H LYS B 17 12.412 4.412 -8.964 1.00 0.00 H new ATOM 0 HA LYS B 17 11.442 1.723 -9.133 1.00 0.00 H new ATOM 0 HB2 LYS B 17 13.937 3.209 -9.946 1.00 0.00 H new ATOM 0 HB3 LYS B 17 13.927 1.457 -9.978 1.00 0.00 H new ATOM 0 HG2 LYS B 17 13.334 2.147 -12.170 1.00 0.00 H new ATOM 0 HG3 LYS B 17 11.847 1.585 -11.433 1.00 0.00 H new ATOM 0 HD2 LYS B 17 11.215 3.927 -10.896 1.00 0.00 H new ATOM 0 HD3 LYS B 17 12.713 4.501 -11.602 1.00 0.00 H new ATOM 0 HE2 LYS B 17 12.043 3.529 -13.800 1.00 0.00 H new ATOM 0 HE3 LYS B 17 10.542 2.969 -13.091 1.00 0.00 H new ATOM 0 HZ1 LYS B 17 10.236 5.053 -14.260 1.00 0.00 H new ATOM 0 HZ2 LYS B 17 9.947 5.271 -12.601 1.00 0.00 H new ATOM 0 HZ3 LYS B 17 11.402 5.813 -13.288 1.00 0.00 H new ATOM 564 N LEU B 18 12.722 0.400 -7.459 1.00 0.00 N ATOM 565 CA LEU B 18 13.277 -0.343 -6.339 1.00 0.00 C ATOM 566 C LEU B 18 13.998 -1.597 -6.825 1.00 0.00 C ATOM 567 O LEU B 18 14.315 -1.724 -8.008 1.00 0.00 O ATOM 568 CB LEU B 18 12.158 -0.727 -5.368 1.00 0.00 C ATOM 569 CG LEU B 18 12.091 0.095 -4.087 1.00 0.00 C ATOM 570 CD1 LEU B 18 11.940 1.576 -4.399 1.00 0.00 C ATOM 571 CD2 LEU B 18 10.949 -0.388 -3.204 1.00 0.00 C ATOM 0 H LEU B 18 12.131 -0.156 -8.078 1.00 0.00 H new ATOM 0 HA LEU B 18 14.000 0.291 -5.826 1.00 0.00 H new ATOM 0 HB2 LEU B 18 11.204 -0.637 -5.887 1.00 0.00 H new ATOM 0 HB3 LEU B 18 12.278 -1.777 -5.100 1.00 0.00 H new ATOM 0 HG LEU B 18 13.027 -0.041 -3.546 1.00 0.00 H new ATOM 0 HD11 LEU B 18 11.894 2.141 -3.468 1.00 0.00 H new ATOM 0 HD12 LEU B 18 12.794 1.913 -4.987 1.00 0.00 H new ATOM 0 HD13 LEU B 18 11.023 1.737 -4.966 1.00 0.00 H new ATOM 0 HD21 LEU B 18 10.915 0.210 -2.293 1.00 0.00 H new ATOM 0 HD22 LEU B 18 10.006 -0.285 -3.741 1.00 0.00 H new ATOM 0 HD23 LEU B 18 11.107 -1.435 -2.945 1.00 0.00 H new ATOM 583 N THR B 19 14.252 -2.520 -5.904 1.00 0.00 N ATOM 584 CA THR B 19 14.929 -3.764 -6.231 1.00 0.00 C ATOM 585 C THR B 19 14.689 -4.811 -5.155 1.00 0.00 C ATOM 586 O THR B 19 14.653 -4.499 -3.965 1.00 0.00 O ATOM 587 CB THR B 19 16.446 -3.562 -6.406 1.00 0.00 C ATOM 588 OG1 THR B 19 17.089 -4.828 -6.597 1.00 0.00 O ATOM 589 CG2 THR B 19 17.041 -2.860 -5.195 1.00 0.00 C ATOM 0 H THR B 19 13.997 -2.427 -4.921 1.00 0.00 H new ATOM 0 HA THR B 19 14.512 -4.109 -7.177 1.00 0.00 H new ATOM 0 HB THR B 19 16.610 -2.937 -7.284 1.00 0.00 H new ATOM 0 HG1 THR B 19 18.053 -4.692 -6.709 1.00 0.00 H new ATOM 0 HG21 THR B 19 18.113 -2.728 -5.341 1.00 0.00 H new ATOM 0 HG22 THR B 19 16.569 -1.885 -5.071 1.00 0.00 H new ATOM 0 HG23 THR B 19 16.868 -3.463 -4.304 1.00 0.00 H new ATOM 597 N GLN B 20 14.523 -6.051 -5.586 1.00 0.00 N ATOM 598 CA GLN B 20 14.283 -7.156 -4.665 1.00 0.00 C ATOM 599 C GLN B 20 15.426 -7.274 -3.663 1.00 0.00 C ATOM 600 O GLN B 20 16.577 -7.497 -4.039 1.00 0.00 O ATOM 601 CB GLN B 20 14.110 -8.467 -5.436 1.00 0.00 C ATOM 602 CG GLN B 20 12.982 -8.422 -6.458 1.00 0.00 C ATOM 603 CD GLN B 20 13.365 -7.676 -7.722 1.00 0.00 C ATOM 604 OE1 GLN B 20 14.527 -7.683 -8.133 1.00 0.00 O ATOM 605 NE2 GLN B 20 12.391 -7.020 -8.340 1.00 0.00 N ATOM 0 H GLN B 20 14.550 -6.320 -6.569 1.00 0.00 H new ATOM 0 HA GLN B 20 13.363 -6.954 -4.116 1.00 0.00 H new ATOM 0 HB2 GLN B 20 15.043 -8.706 -5.946 1.00 0.00 H new ATOM 0 HB3 GLN B 20 13.918 -9.274 -4.728 1.00 0.00 H new ATOM 0 HG2 GLN B 20 12.691 -9.440 -6.716 1.00 0.00 H new ATOM 0 HG3 GLN B 20 12.110 -7.945 -6.010 1.00 0.00 H new ATOM 0 HE21 GLN B 20 11.443 -7.042 -7.964 1.00 0.00 H new ATOM 0 HE22 GLN B 20 12.590 -6.494 -9.191 1.00 0.00 H new ATOM 614 N GLY B 21 15.095 -7.123 -2.386 1.00 0.00 N ATOM 615 CA GLY B 21 16.099 -7.198 -1.341 1.00 0.00 C ATOM 616 C GLY B 21 15.954 -6.074 -0.331 1.00 0.00 C ATOM 617 O GLY B 21 16.788 -5.915 0.560 1.00 0.00 O ATOM 0 H GLY B 21 14.146 -6.949 -2.055 1.00 0.00 H new ATOM 0 HA2 GLY B 21 16.019 -8.157 -0.830 1.00 0.00 H new ATOM 0 HA3 GLY B 21 17.092 -7.157 -1.789 1.00 0.00 H new ATOM 621 N GLN B 22 14.884 -5.299 -0.476 1.00 0.00 N ATOM 622 CA GLN B 22 14.607 -4.187 0.411 1.00 0.00 C ATOM 623 C GLN B 22 13.219 -4.353 1.012 1.00 0.00 C ATOM 624 O GLN B 22 12.387 -5.087 0.474 1.00 0.00 O ATOM 625 CB GLN B 22 14.692 -2.867 -0.356 1.00 0.00 C ATOM 626 CG GLN B 22 15.932 -2.753 -1.230 1.00 0.00 C ATOM 627 CD GLN B 22 15.933 -1.505 -2.091 1.00 0.00 C ATOM 628 OE1 GLN B 22 16.988 -0.975 -2.434 1.00 0.00 O ATOM 629 NE2 GLN B 22 14.744 -1.028 -2.449 1.00 0.00 N ATOM 0 H GLN B 22 14.189 -5.428 -1.212 1.00 0.00 H new ATOM 0 HA GLN B 22 15.347 -4.172 1.211 1.00 0.00 H new ATOM 0 HB2 GLN B 22 13.805 -2.761 -0.981 1.00 0.00 H new ATOM 0 HB3 GLN B 22 14.681 -2.041 0.355 1.00 0.00 H new ATOM 0 HG2 GLN B 22 16.819 -2.752 -0.596 1.00 0.00 H new ATOM 0 HG3 GLN B 22 16.000 -3.631 -1.872 1.00 0.00 H new ATOM 0 HE21 GLN B 22 13.892 -1.498 -2.143 1.00 0.00 H new ATOM 0 HE22 GLN B 22 14.684 -0.192 -3.030 1.00 0.00 H new ATOM 638 N GLU B 23 12.966 -3.673 2.118 1.00 0.00 N ATOM 639 CA GLU B 23 11.659 -3.778 2.774 1.00 0.00 C ATOM 640 C GLU B 23 11.124 -2.418 3.210 1.00 0.00 C ATOM 641 O GLU B 23 11.596 -1.374 2.763 1.00 0.00 O ATOM 642 CB GLU B 23 11.733 -4.709 3.987 1.00 0.00 C ATOM 643 CG GLU B 23 12.160 -6.126 3.643 1.00 0.00 C ATOM 644 CD GLU B 23 12.252 -7.021 4.864 1.00 0.00 C ATOM 645 OE1 GLU B 23 11.237 -7.661 5.210 1.00 0.00 O ATOM 646 OE2 GLU B 23 13.341 -7.080 5.475 1.00 0.00 O ATOM 0 H GLU B 23 13.630 -3.051 2.579 1.00 0.00 H new ATOM 0 HA GLU B 23 10.971 -4.193 2.037 1.00 0.00 H new ATOM 0 HB2 GLU B 23 12.434 -4.293 4.711 1.00 0.00 H new ATOM 0 HB3 GLU B 23 10.756 -4.740 4.470 1.00 0.00 H new ATOM 0 HG2 GLU B 23 11.449 -6.554 2.936 1.00 0.00 H new ATOM 0 HG3 GLU B 23 13.129 -6.098 3.144 1.00 0.00 H new ATOM 653 N LEU B 24 10.119 -2.454 4.082 1.00 0.00 N ATOM 654 CA LEU B 24 9.500 -1.240 4.600 1.00 0.00 C ATOM 655 C LEU B 24 8.796 -1.511 5.928 1.00 0.00 C ATOM 656 O LEU B 24 8.273 -2.602 6.153 1.00 0.00 O ATOM 657 CB LEU B 24 8.493 -0.687 3.587 1.00 0.00 C ATOM 658 CG LEU B 24 7.457 0.281 4.165 1.00 0.00 C ATOM 659 CD1 LEU B 24 8.024 1.689 4.257 1.00 0.00 C ATOM 660 CD2 LEU B 24 6.186 0.268 3.330 1.00 0.00 C ATOM 0 H LEU B 24 9.715 -3.317 4.445 1.00 0.00 H new ATOM 0 HA LEU B 24 10.287 -0.504 4.767 1.00 0.00 H new ATOM 0 HB2 LEU B 24 9.041 -0.178 2.794 1.00 0.00 H new ATOM 0 HB3 LEU B 24 7.968 -1.524 3.126 1.00 0.00 H new ATOM 0 HG LEU B 24 7.208 -0.051 5.173 1.00 0.00 H new ATOM 0 HD11 LEU B 24 7.270 2.359 4.670 1.00 0.00 H new ATOM 0 HD12 LEU B 24 8.901 1.686 4.904 1.00 0.00 H new ATOM 0 HD13 LEU B 24 8.308 2.033 3.262 1.00 0.00 H new ATOM 0 HD21 LEU B 24 5.463 0.962 3.757 1.00 0.00 H new ATOM 0 HD22 LEU B 24 6.419 0.569 2.309 1.00 0.00 H new ATOM 0 HD23 LEU B 24 5.764 -0.737 3.325 1.00 0.00 H new ATOM 672 N VAL B 25 8.790 -0.506 6.802 1.00 0.00 N ATOM 673 CA VAL B 25 8.139 -0.617 8.105 1.00 0.00 C ATOM 674 C VAL B 25 7.598 0.738 8.551 1.00 0.00 C ATOM 675 O VAL B 25 8.358 1.633 8.921 1.00 0.00 O ATOM 676 CB VAL B 25 9.099 -1.171 9.182 1.00 0.00 C ATOM 677 CG1 VAL B 25 8.582 -0.871 10.583 1.00 0.00 C ATOM 678 CG2 VAL B 25 9.303 -2.668 8.998 1.00 0.00 C ATOM 0 H VAL B 25 9.231 0.398 6.630 1.00 0.00 H new ATOM 0 HA VAL B 25 7.313 -1.319 7.992 1.00 0.00 H new ATOM 0 HB VAL B 25 10.061 -0.673 9.063 1.00 0.00 H new ATOM 0 HG11 VAL B 25 9.277 -1.272 11.321 1.00 0.00 H new ATOM 0 HG12 VAL B 25 8.495 0.207 10.715 1.00 0.00 H new ATOM 0 HG13 VAL B 25 7.604 -1.333 10.717 1.00 0.00 H new ATOM 0 HG21 VAL B 25 9.982 -3.040 9.766 1.00 0.00 H new ATOM 0 HG22 VAL B 25 8.344 -3.179 9.083 1.00 0.00 H new ATOM 0 HG23 VAL B 25 9.729 -2.859 8.013 1.00 0.00 H new ATOM 688 N LEU B 26 6.276 0.881 8.507 1.00 0.00 N ATOM 689 CA LEU B 26 5.624 2.125 8.902 1.00 0.00 C ATOM 690 C LEU B 26 4.871 1.949 10.217 1.00 0.00 C ATOM 691 O LEU B 26 4.283 0.899 10.472 1.00 0.00 O ATOM 692 CB LEU B 26 4.665 2.590 7.803 1.00 0.00 C ATOM 693 CG LEU B 26 3.794 3.798 8.161 1.00 0.00 C ATOM 694 CD1 LEU B 26 4.656 5.030 8.395 1.00 0.00 C ATOM 695 CD2 LEU B 26 2.771 4.060 7.067 1.00 0.00 C ATOM 0 H LEU B 26 5.635 0.149 8.201 1.00 0.00 H new ATOM 0 HA LEU B 26 6.393 2.884 9.047 1.00 0.00 H new ATOM 0 HB2 LEU B 26 5.248 2.834 6.915 1.00 0.00 H new ATOM 0 HB3 LEU B 26 4.012 1.758 7.538 1.00 0.00 H new ATOM 0 HG LEU B 26 3.260 3.575 9.085 1.00 0.00 H new ATOM 0 HD11 LEU B 26 4.019 5.877 8.648 1.00 0.00 H new ATOM 0 HD12 LEU B 26 5.348 4.839 9.215 1.00 0.00 H new ATOM 0 HD13 LEU B 26 5.219 5.257 7.490 1.00 0.00 H new ATOM 0 HD21 LEU B 26 2.161 4.922 7.338 1.00 0.00 H new ATOM 0 HD22 LEU B 26 3.286 4.261 6.128 1.00 0.00 H new ATOM 0 HD23 LEU B 26 2.131 3.185 6.950 1.00 0.00 H new ATOM 707 N THR B 27 4.893 2.987 11.048 1.00 0.00 N ATOM 708 CA THR B 27 4.211 2.948 12.337 1.00 0.00 C ATOM 709 C THR B 27 3.495 4.266 12.620 1.00 0.00 C ATOM 710 O THR B 27 4.128 5.316 12.730 1.00 0.00 O ATOM 711 CB THR B 27 5.199 2.657 13.485 1.00 0.00 C ATOM 712 OG1 THR B 27 5.903 1.437 13.227 1.00 0.00 O ATOM 713 CG2 THR B 27 4.468 2.552 14.816 1.00 0.00 C ATOM 0 H THR B 27 5.375 3.864 10.852 1.00 0.00 H new ATOM 0 HA THR B 27 3.478 2.143 12.284 1.00 0.00 H new ATOM 0 HB THR B 27 5.908 3.483 13.541 1.00 0.00 H new ATOM 0 HG1 THR B 27 6.530 1.260 13.959 1.00 0.00 H new ATOM 0 HG21 THR B 27 5.186 2.346 15.610 1.00 0.00 H new ATOM 0 HG22 THR B 27 3.955 3.491 15.025 1.00 0.00 H new ATOM 0 HG23 THR B 27 3.739 1.743 14.768 1.00 0.00 H new ATOM 721 N LEU B 28 2.172 4.200 12.736 1.00 0.00 N ATOM 722 CA LEU B 28 1.367 5.385 13.007 1.00 0.00 C ATOM 723 C LEU B 28 0.580 5.222 14.304 1.00 0.00 C ATOM 724 O LEU B 28 0.338 4.100 14.754 1.00 0.00 O ATOM 725 CB LEU B 28 0.407 5.653 11.843 1.00 0.00 C ATOM 726 CG LEU B 28 1.077 5.855 10.480 1.00 0.00 C ATOM 727 CD1 LEU B 28 0.028 5.993 9.387 1.00 0.00 C ATOM 728 CD2 LEU B 28 1.986 7.075 10.506 1.00 0.00 C ATOM 0 H LEU B 28 1.635 3.337 12.646 1.00 0.00 H new ATOM 0 HA LEU B 28 2.041 6.235 13.116 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -0.290 4.818 11.768 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -0.182 6.540 12.076 1.00 0.00 H new ATOM 0 HG LEU B 28 1.687 4.978 10.263 1.00 0.00 H new ATOM 0 HD11 LEU B 28 0.521 6.136 8.425 1.00 0.00 H new ATOM 0 HD12 LEU B 28 -0.582 5.090 9.352 1.00 0.00 H new ATOM 0 HD13 LEU B 28 -0.608 6.852 9.600 1.00 0.00 H new ATOM 0 HD21 LEU B 28 2.453 7.202 9.529 1.00 0.00 H new ATOM 0 HD22 LEU B 28 1.399 7.961 10.745 1.00 0.00 H new ATOM 0 HD23 LEU B 28 2.759 6.937 11.262 1.00 0.00 H new ATOM 740 N PRO B 29 0.169 6.343 14.929 1.00 0.00 N ATOM 741 CA PRO B 29 -0.590 6.312 16.181 1.00 0.00 C ATOM 742 C PRO B 29 -2.050 5.932 15.961 1.00 0.00 C ATOM 743 O PRO B 29 -2.729 6.499 15.104 1.00 0.00 O ATOM 744 CB PRO B 29 -0.483 7.747 16.690 1.00 0.00 C ATOM 745 CG PRO B 29 -0.336 8.573 15.457 1.00 0.00 C ATOM 746 CD PRO B 29 0.413 7.723 14.465 1.00 0.00 C ATOM 0 HA PRO B 29 -0.204 5.567 16.877 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -1.369 8.034 17.256 1.00 0.00 H new ATOM 0 HB3 PRO B 29 0.373 7.870 17.354 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -1.311 8.861 15.064 1.00 0.00 H new ATOM 0 HG3 PRO B 29 0.208 9.494 15.668 1.00 0.00 H new ATOM 0 HD2 PRO B 29 0.045 7.875 13.450 1.00 0.00 H new ATOM 0 HD3 PRO B 29 1.477 7.960 14.458 1.00 0.00 H new ATOM 754 N SER B 30 -2.528 4.966 16.741 1.00 0.00 N ATOM 755 CA SER B 30 -3.909 4.507 16.633 1.00 0.00 C ATOM 756 C SER B 30 -4.298 3.663 17.842 1.00 0.00 C ATOM 757 O SER B 30 -3.637 2.675 18.161 1.00 0.00 O ATOM 758 CB SER B 30 -4.100 3.695 15.351 1.00 0.00 C ATOM 759 OG SER B 30 -3.265 2.551 15.343 1.00 0.00 O ATOM 0 H SER B 30 -1.979 4.486 17.454 1.00 0.00 H new ATOM 0 HA SER B 30 -4.555 5.385 16.600 1.00 0.00 H new ATOM 0 HB2 SER B 30 -5.142 3.389 15.263 1.00 0.00 H new ATOM 0 HB3 SER B 30 -3.876 4.318 14.485 1.00 0.00 H new ATOM 0 HG SER B 30 -3.089 2.268 16.265 1.00 0.00 H new ATOM 765 N ASN B 31 -5.375 4.060 18.513 1.00 0.00 N ATOM 766 CA ASN B 31 -5.853 3.337 19.686 1.00 0.00 C ATOM 767 C ASN B 31 -6.595 2.067 19.273 1.00 0.00 C ATOM 768 O ASN B 31 -7.600 2.133 18.566 1.00 0.00 O ATOM 769 CB ASN B 31 -6.775 4.233 20.518 1.00 0.00 C ATOM 770 CG ASN B 31 -6.087 5.502 20.981 1.00 0.00 C ATOM 771 OD1 ASN B 31 -4.874 5.526 21.186 1.00 0.00 O ATOM 772 ND2 ASN B 31 -6.862 6.567 21.146 1.00 0.00 N ATOM 0 H ASN B 31 -5.932 4.877 18.265 1.00 0.00 H new ATOM 0 HA ASN B 31 -4.990 3.054 20.289 1.00 0.00 H new ATOM 0 HB2 ASN B 31 -7.653 4.494 19.927 1.00 0.00 H new ATOM 0 HB3 ASN B 31 -7.129 3.678 21.387 1.00 0.00 H new ATOM 0 HD21 ASN B 31 -6.456 7.450 21.454 1.00 0.00 H new ATOM 0 HD22 ASN B 31 -7.864 6.502 20.964 1.00 0.00 H new ATOM 779 N PRO B 32 -6.109 0.886 19.705 1.00 0.00 N ATOM 780 CA PRO B 32 -6.737 -0.398 19.368 1.00 0.00 C ATOM 781 C PRO B 32 -8.066 -0.604 20.089 1.00 0.00 C ATOM 782 O PRO B 32 -8.374 0.094 21.054 1.00 0.00 O ATOM 783 CB PRO B 32 -5.708 -1.422 19.839 1.00 0.00 C ATOM 784 CG PRO B 32 -5.029 -0.740 20.965 1.00 0.00 C ATOM 785 CD PRO B 32 -4.914 0.700 20.551 1.00 0.00 C ATOM 0 HA PRO B 32 -6.979 -0.470 18.308 1.00 0.00 H new ATOM 0 HB2 PRO B 32 -6.183 -2.349 20.159 1.00 0.00 H new ATOM 0 HB3 PRO B 32 -5.007 -1.680 19.045 1.00 0.00 H new ATOM 0 HG2 PRO B 32 -5.602 -0.839 21.887 1.00 0.00 H new ATOM 0 HG3 PRO B 32 -4.047 -1.174 21.152 1.00 0.00 H new ATOM 0 HD2 PRO B 32 -4.917 1.371 21.410 1.00 0.00 H new ATOM 0 HD3 PRO B 32 -3.993 0.892 20.000 1.00 0.00 H new ATOM 793 N THR B 33 -8.847 -1.569 19.606 1.00 0.00 N ATOM 794 CA THR B 33 -10.148 -1.884 20.194 1.00 0.00 C ATOM 795 C THR B 33 -10.997 -0.629 20.379 1.00 0.00 C ATOM 796 O THR B 33 -11.876 -0.586 21.241 1.00 0.00 O ATOM 797 CB THR B 33 -9.998 -2.598 21.553 1.00 0.00 C ATOM 798 OG1 THR B 33 -9.374 -1.726 22.504 1.00 0.00 O ATOM 799 CG2 THR B 33 -9.171 -3.868 21.409 1.00 0.00 C ATOM 0 H THR B 33 -8.599 -2.149 18.804 1.00 0.00 H new ATOM 0 HA THR B 33 -10.650 -2.553 19.495 1.00 0.00 H new ATOM 0 HB THR B 33 -10.994 -2.866 21.906 1.00 0.00 H new ATOM 0 HG1 THR B 33 -9.250 -0.840 22.103 1.00 0.00 H new ATOM 0 HG21 THR B 33 -9.079 -4.354 22.380 1.00 0.00 H new ATOM 0 HG22 THR B 33 -9.662 -4.545 20.710 1.00 0.00 H new ATOM 0 HG23 THR B 33 -8.179 -3.616 21.034 1.00 0.00 H new ATOM 807 N THR B 34 -10.735 0.385 19.560 1.00 0.00 N ATOM 808 CA THR B 34 -11.477 1.638 19.637 1.00 0.00 C ATOM 809 C THR B 34 -12.594 1.678 18.598 1.00 0.00 C ATOM 810 O THR B 34 -13.774 1.724 18.947 1.00 0.00 O ATOM 811 CB THR B 34 -10.552 2.853 19.429 1.00 0.00 C ATOM 812 OG1 THR B 34 -9.503 2.842 20.406 1.00 0.00 O ATOM 813 CG2 THR B 34 -11.332 4.155 19.534 1.00 0.00 C ATOM 0 H THR B 34 -10.016 0.363 18.837 1.00 0.00 H new ATOM 0 HA THR B 34 -11.911 1.689 20.636 1.00 0.00 H new ATOM 0 HB THR B 34 -10.122 2.786 18.430 1.00 0.00 H new ATOM 0 HG1 THR B 34 -9.095 1.952 20.437 1.00 0.00 H new ATOM 0 HG21 THR B 34 -10.656 4.997 19.383 1.00 0.00 H new ATOM 0 HG22 THR B 34 -12.112 4.175 18.772 1.00 0.00 H new ATOM 0 HG23 THR B 34 -11.788 4.228 20.522 1.00 0.00 H new ATOM 821 N GLY B 35 -12.215 1.661 17.325 1.00 0.00 N ATOM 822 CA GLY B 35 -13.198 1.695 16.260 1.00 0.00 C ATOM 823 C GLY B 35 -12.594 2.068 14.921 1.00 0.00 C ATOM 824 O GLY B 35 -12.858 1.416 13.911 1.00 0.00 O ATOM 0 H GLY B 35 -11.245 1.624 17.012 1.00 0.00 H new ATOM 0 HA2 GLY B 35 -13.675 0.718 16.180 1.00 0.00 H new ATOM 0 HA3 GLY B 35 -13.979 2.411 16.514 1.00 0.00 H new ATOM 828 N PHE B 36 -11.779 3.120 14.912 1.00 0.00 N ATOM 829 CA PHE B 36 -11.138 3.581 13.689 1.00 0.00 C ATOM 830 C PHE B 36 -9.761 2.951 13.516 1.00 0.00 C ATOM 831 O PHE B 36 -8.801 3.333 14.186 1.00 0.00 O ATOM 832 CB PHE B 36 -11.012 5.101 13.702 1.00 0.00 C ATOM 833 CG PHE B 36 -12.272 5.817 13.303 1.00 0.00 C ATOM 834 CD1 PHE B 36 -13.313 5.970 14.203 1.00 0.00 C ATOM 835 CD2 PHE B 36 -12.412 6.338 12.025 1.00 0.00 C ATOM 836 CE1 PHE B 36 -14.471 6.630 13.837 1.00 0.00 C ATOM 837 CE2 PHE B 36 -13.569 6.999 11.655 1.00 0.00 C ATOM 838 CZ PHE B 36 -14.600 7.145 12.562 1.00 0.00 C ATOM 0 H PHE B 36 -11.548 3.668 15.741 1.00 0.00 H new ATOM 0 HA PHE B 36 -11.762 3.276 12.849 1.00 0.00 H new ATOM 0 HB2 PHE B 36 -10.723 5.424 14.702 1.00 0.00 H new ATOM 0 HB3 PHE B 36 -10.208 5.396 13.027 1.00 0.00 H new ATOM 0 HD1 PHE B 36 -13.219 5.569 15.202 1.00 0.00 H new ATOM 0 HD2 PHE B 36 -11.609 6.226 11.311 1.00 0.00 H new ATOM 0 HE1 PHE B 36 -15.276 6.743 14.549 1.00 0.00 H new ATOM 0 HE2 PHE B 36 -13.666 7.401 10.657 1.00 0.00 H new ATOM 0 HZ PHE B 36 -15.505 7.660 12.275 1.00 0.00 H new ATOM 848 N ARG B 37 -9.675 1.982 12.613 1.00 0.00 N ATOM 849 CA ARG B 37 -8.420 1.299 12.336 1.00 0.00 C ATOM 850 C ARG B 37 -7.822 1.800 11.023 1.00 0.00 C ATOM 851 O ARG B 37 -8.098 2.920 10.594 1.00 0.00 O ATOM 852 CB ARG B 37 -8.656 -0.208 12.250 1.00 0.00 C ATOM 853 CG ARG B 37 -7.543 -1.035 12.873 1.00 0.00 C ATOM 854 CD ARG B 37 -7.520 -0.896 14.387 1.00 0.00 C ATOM 855 NE ARG B 37 -8.758 -1.368 15.000 1.00 0.00 N ATOM 856 CZ ARG B 37 -8.812 -1.978 16.182 1.00 0.00 C ATOM 857 NH1 ARG B 37 -7.700 -2.198 16.868 1.00 0.00 N ATOM 858 NH2 ARG B 37 -9.980 -2.372 16.673 1.00 0.00 N ATOM 0 H ARG B 37 -10.464 1.651 12.058 1.00 0.00 H new ATOM 0 HA ARG B 37 -7.722 1.510 13.146 1.00 0.00 H new ATOM 0 HB2 ARG B 37 -9.597 -0.449 12.745 1.00 0.00 H new ATOM 0 HB3 ARG B 37 -8.765 -0.491 11.203 1.00 0.00 H new ATOM 0 HG2 ARG B 37 -7.675 -2.083 12.606 1.00 0.00 H new ATOM 0 HG3 ARG B 37 -6.583 -0.720 12.464 1.00 0.00 H new ATOM 0 HD2 ARG B 37 -6.679 -1.460 14.790 1.00 0.00 H new ATOM 0 HD3 ARG B 37 -7.360 0.149 14.652 1.00 0.00 H new ATOM 0 HE ARG B 37 -9.631 -1.222 14.494 1.00 0.00 H new ATOM 0 HH11 ARG B 37 -6.801 -1.900 16.491 1.00 0.00 H new ATOM 0 HH12 ARG B 37 -7.743 -2.666 17.774 1.00 0.00 H new ATOM 0 HH21 ARG B 37 -10.837 -2.208 16.145 1.00 0.00 H new ATOM 0 HH22 ARG B 37 -10.021 -2.839 17.579 1.00 0.00 H new ATOM 872 N TRP B 38 -7.002 0.965 10.394 1.00 0.00 N ATOM 873 CA TRP B 38 -6.376 1.320 9.129 1.00 0.00 C ATOM 874 C TRP B 38 -6.595 0.222 8.093 1.00 0.00 C ATOM 875 O TRP B 38 -6.115 -0.901 8.255 1.00 0.00 O ATOM 876 CB TRP B 38 -4.878 1.571 9.321 1.00 0.00 C ATOM 877 CG TRP B 38 -4.576 2.812 10.104 1.00 0.00 C ATOM 878 CD1 TRP B 38 -4.419 2.910 11.457 1.00 0.00 C ATOM 879 CD2 TRP B 38 -4.393 4.133 9.580 1.00 0.00 C ATOM 880 NE1 TRP B 38 -4.151 4.213 11.806 1.00 0.00 N ATOM 881 CE2 TRP B 38 -4.130 4.982 10.671 1.00 0.00 C ATOM 882 CE3 TRP B 38 -4.427 4.681 8.294 1.00 0.00 C ATOM 883 CZ2 TRP B 38 -3.901 6.348 10.517 1.00 0.00 C ATOM 884 CZ3 TRP B 38 -4.201 6.036 8.141 1.00 0.00 C ATOM 885 CH2 TRP B 38 -3.940 6.857 9.246 1.00 0.00 C ATOM 0 H TRP B 38 -6.756 0.038 10.741 1.00 0.00 H new ATOM 0 HA TRP B 38 -6.840 2.237 8.767 1.00 0.00 H new ATOM 0 HB2 TRP B 38 -4.436 0.714 9.829 1.00 0.00 H new ATOM 0 HB3 TRP B 38 -4.401 1.643 8.343 1.00 0.00 H new ATOM 0 HD1 TRP B 38 -4.494 2.086 12.151 1.00 0.00 H new ATOM 0 HE1 TRP B 38 -3.993 4.552 12.755 1.00 0.00 H new ATOM 0 HE3 TRP B 38 -4.626 4.057 7.436 1.00 0.00 H new ATOM 0 HZ2 TRP B 38 -3.700 6.982 11.368 1.00 0.00 H new ATOM 0 HZ3 TRP B 38 -4.226 6.470 7.152 1.00 0.00 H new ATOM 0 HH2 TRP B 38 -3.766 7.912 9.093 1.00 0.00 H new ATOM 896 N GLU B 39 -7.323 0.554 7.031 1.00 0.00 N ATOM 897 CA GLU B 39 -7.611 -0.407 5.972 1.00 0.00 C ATOM 898 C GLU B 39 -6.637 -0.250 4.809 1.00 0.00 C ATOM 899 O GLU B 39 -6.171 0.852 4.519 1.00 0.00 O ATOM 900 CB GLU B 39 -9.050 -0.236 5.477 1.00 0.00 C ATOM 901 CG GLU B 39 -10.095 -0.530 6.542 1.00 0.00 C ATOM 902 CD GLU B 39 -10.036 -1.959 7.039 1.00 0.00 C ATOM 903 OE1 GLU B 39 -10.719 -2.823 6.447 1.00 0.00 O ATOM 904 OE2 GLU B 39 -9.307 -2.218 8.020 1.00 0.00 O ATOM 0 H GLU B 39 -7.724 1.480 6.881 1.00 0.00 H new ATOM 0 HA GLU B 39 -7.492 -1.409 6.385 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -9.184 0.785 5.119 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -9.214 -0.896 4.626 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -9.952 0.149 7.383 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -11.087 -0.331 6.137 1.00 0.00 H new ATOM 911 N LEU B 40 -6.335 -1.364 4.146 1.00 0.00 N ATOM 912 CA LEU B 40 -5.415 -1.353 3.015 1.00 0.00 C ATOM 913 C LEU B 40 -6.169 -1.383 1.692 1.00 0.00 C ATOM 914 O LEU B 40 -6.635 -2.437 1.256 1.00 0.00 O ATOM 915 CB LEU B 40 -4.465 -2.550 3.090 1.00 0.00 C ATOM 916 CG LEU B 40 -3.436 -2.492 4.219 1.00 0.00 C ATOM 917 CD1 LEU B 40 -2.720 -3.828 4.357 1.00 0.00 C ATOM 918 CD2 LEU B 40 -2.435 -1.373 3.976 1.00 0.00 C ATOM 0 H LEU B 40 -6.714 -2.283 4.373 1.00 0.00 H new ATOM 0 HA LEU B 40 -4.839 -0.429 3.065 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -5.058 -3.458 3.206 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -3.936 -2.634 2.141 1.00 0.00 H new ATOM 0 HG LEU B 40 -3.962 -2.284 5.151 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -1.991 -3.768 5.165 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -3.447 -4.609 4.581 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -2.209 -4.065 3.424 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -1.711 -1.349 4.791 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -1.915 -1.548 3.034 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -2.960 -0.419 3.929 1.00 0.00 H new ATOM 930 N ARG B 41 -6.291 -0.223 1.057 1.00 0.00 N ATOM 931 CA ARG B 41 -6.978 -0.125 -0.222 1.00 0.00 C ATOM 932 C ARG B 41 -6.095 -0.676 -1.334 1.00 0.00 C ATOM 933 O ARG B 41 -6.558 -0.920 -2.449 1.00 0.00 O ATOM 934 CB ARG B 41 -7.354 1.329 -0.519 1.00 0.00 C ATOM 935 CG ARG B 41 -8.351 1.916 0.469 1.00 0.00 C ATOM 936 CD ARG B 41 -9.689 1.196 0.410 1.00 0.00 C ATOM 937 NE ARG B 41 -10.298 1.277 -0.915 1.00 0.00 N ATOM 938 CZ ARG B 41 -11.448 0.691 -1.236 1.00 0.00 C ATOM 939 NH1 ARG B 41 -12.111 -0.017 -0.330 1.00 0.00 N ATOM 940 NH2 ARG B 41 -11.938 0.814 -2.464 1.00 0.00 N ATOM 0 H ARG B 41 -5.923 0.661 1.408 1.00 0.00 H new ATOM 0 HA ARG B 41 -7.893 -0.716 -0.171 1.00 0.00 H new ATOM 0 HB2 ARG B 41 -6.450 1.937 -0.514 1.00 0.00 H new ATOM 0 HB3 ARG B 41 -7.773 1.389 -1.524 1.00 0.00 H new ATOM 0 HG2 ARG B 41 -7.946 1.849 1.479 1.00 0.00 H new ATOM 0 HG3 ARG B 41 -8.497 2.974 0.254 1.00 0.00 H new ATOM 0 HD2 ARG B 41 -9.549 0.150 0.681 1.00 0.00 H new ATOM 0 HD3 ARG B 41 -10.366 1.629 1.147 1.00 0.00 H new ATOM 0 HE ARG B 41 -9.814 1.813 -1.635 1.00 0.00 H new ATOM 0 HH11 ARG B 41 -11.739 -0.113 0.615 1.00 0.00 H new ATOM 0 HH12 ARG B 41 -12.993 -0.465 -0.579 1.00 0.00 H new ATOM 0 HH21 ARG B 41 -11.432 1.358 -3.163 1.00 0.00 H new ATOM 0 HH22 ARG B 41 -12.820 0.364 -2.709 1.00 0.00 H new ATOM 954 N ASN B 42 -4.818 -0.870 -1.017 1.00 0.00 N ATOM 955 CA ASN B 42 -3.858 -1.400 -1.980 1.00 0.00 C ATOM 956 C ASN B 42 -2.560 -1.804 -1.280 1.00 0.00 C ATOM 957 O ASN B 42 -1.646 -0.993 -1.142 1.00 0.00 O ATOM 958 CB ASN B 42 -3.558 -0.365 -3.067 1.00 0.00 C ATOM 959 CG ASN B 42 -3.523 -0.977 -4.455 1.00 0.00 C ATOM 960 OD1 ASN B 42 -4.182 -1.982 -4.719 1.00 0.00 O ATOM 961 ND2 ASN B 42 -2.753 -0.370 -5.353 1.00 0.00 N ATOM 0 H ASN B 42 -4.423 -0.668 -0.098 1.00 0.00 H new ATOM 0 HA ASN B 42 -4.299 -2.282 -2.444 1.00 0.00 H new ATOM 0 HB2 ASN B 42 -4.315 0.419 -3.037 1.00 0.00 H new ATOM 0 HB3 ASN B 42 -2.599 0.110 -2.858 1.00 0.00 H new ATOM 0 HD21 ASN B 42 -2.692 -0.736 -6.303 1.00 0.00 H new ATOM 0 HD22 ASN B 42 -2.223 0.461 -5.092 1.00 0.00 H new ATOM 968 N PRO B 43 -2.461 -3.066 -0.819 1.00 0.00 N ATOM 969 CA PRO B 43 -1.263 -3.559 -0.130 1.00 0.00 C ATOM 970 C PRO B 43 -0.102 -3.810 -1.085 1.00 0.00 C ATOM 971 O PRO B 43 0.938 -4.336 -0.686 1.00 0.00 O ATOM 972 CB PRO B 43 -1.737 -4.874 0.488 1.00 0.00 C ATOM 973 CG PRO B 43 -2.816 -5.346 -0.424 1.00 0.00 C ATOM 974 CD PRO B 43 -3.504 -4.106 -0.927 1.00 0.00 C ATOM 0 HA PRO B 43 -0.881 -2.838 0.593 1.00 0.00 H new ATOM 0 HB2 PRO B 43 -0.925 -5.599 0.551 1.00 0.00 H new ATOM 0 HB3 PRO B 43 -2.110 -4.725 1.501 1.00 0.00 H new ATOM 0 HG2 PRO B 43 -2.403 -5.926 -1.250 1.00 0.00 H new ATOM 0 HG3 PRO B 43 -3.516 -5.995 0.102 1.00 0.00 H new ATOM 0 HD2 PRO B 43 -3.847 -4.226 -1.955 1.00 0.00 H new ATOM 0 HD3 PRO B 43 -4.379 -3.861 -0.326 1.00 0.00 H new ATOM 982 N ALA B 44 -0.284 -3.431 -2.349 1.00 0.00 N ATOM 983 CA ALA B 44 0.748 -3.616 -3.363 1.00 0.00 C ATOM 984 C ALA B 44 1.164 -5.080 -3.457 1.00 0.00 C ATOM 985 O ALA B 44 2.281 -5.391 -3.866 1.00 0.00 O ATOM 986 CB ALA B 44 1.956 -2.741 -3.057 1.00 0.00 C ATOM 0 H ALA B 44 -1.138 -2.993 -2.694 1.00 0.00 H new ATOM 0 HA ALA B 44 0.334 -3.318 -4.326 1.00 0.00 H new ATOM 0 HB1 ALA B 44 2.717 -2.891 -3.823 1.00 0.00 H new ATOM 0 HB2 ALA B 44 1.653 -1.694 -3.046 1.00 0.00 H new ATOM 0 HB3 ALA B 44 2.364 -3.011 -2.083 1.00 0.00 H new ATOM 992 N ALA B 45 0.251 -5.973 -3.086 1.00 0.00 N ATOM 993 CA ALA B 45 0.522 -7.407 -3.128 1.00 0.00 C ATOM 994 C ALA B 45 0.791 -7.878 -4.555 1.00 0.00 C ATOM 995 O ALA B 45 1.164 -9.031 -4.776 1.00 0.00 O ATOM 996 CB ALA B 45 -0.644 -8.178 -2.526 1.00 0.00 C ATOM 0 H ALA B 45 -0.682 -5.730 -2.753 1.00 0.00 H new ATOM 0 HA ALA B 45 1.418 -7.600 -2.538 1.00 0.00 H new ATOM 0 HB1 ALA B 45 -0.431 -9.246 -2.562 1.00 0.00 H new ATOM 0 HB2 ALA B 45 -0.787 -7.872 -1.490 1.00 0.00 H new ATOM 0 HB3 ALA B 45 -1.550 -7.969 -3.094 1.00 0.00 H new ATOM 1002 N SER B 46 0.600 -6.980 -5.516 1.00 0.00 N ATOM 1003 CA SER B 46 0.820 -7.304 -6.921 1.00 0.00 C ATOM 1004 C SER B 46 2.305 -7.507 -7.211 1.00 0.00 C ATOM 1005 O SER B 46 2.674 -8.339 -8.040 1.00 0.00 O ATOM 1006 CB SER B 46 0.263 -6.193 -7.815 1.00 0.00 C ATOM 1007 OG SER B 46 -1.132 -6.033 -7.621 1.00 0.00 O ATOM 0 H SER B 46 0.293 -6.022 -5.347 1.00 0.00 H new ATOM 0 HA SER B 46 0.296 -8.235 -7.137 1.00 0.00 H new ATOM 0 HB2 SER B 46 0.774 -5.255 -7.596 1.00 0.00 H new ATOM 0 HB3 SER B 46 0.463 -6.428 -8.860 1.00 0.00 H new ATOM 0 HG SER B 46 -1.463 -5.317 -8.202 1.00 0.00 H new ATOM 1013 N VAL B 47 3.152 -6.744 -6.525 1.00 0.00 N ATOM 1014 CA VAL B 47 4.594 -6.845 -6.719 1.00 0.00 C ATOM 1015 C VAL B 47 5.324 -7.048 -5.393 1.00 0.00 C ATOM 1016 O VAL B 47 6.281 -7.821 -5.315 1.00 0.00 O ATOM 1017 CB VAL B 47 5.156 -5.594 -7.425 1.00 0.00 C ATOM 1018 CG1 VAL B 47 4.564 -5.462 -8.818 1.00 0.00 C ATOM 1019 CG2 VAL B 47 4.880 -4.345 -6.605 1.00 0.00 C ATOM 0 H VAL B 47 2.865 -6.052 -5.833 1.00 0.00 H new ATOM 0 HA VAL B 47 4.764 -7.716 -7.352 1.00 0.00 H new ATOM 0 HB VAL B 47 6.236 -5.707 -7.518 1.00 0.00 H new ATOM 0 HG11 VAL B 47 4.970 -4.575 -9.303 1.00 0.00 H new ATOM 0 HG12 VAL B 47 4.816 -6.345 -9.406 1.00 0.00 H new ATOM 0 HG13 VAL B 47 3.480 -5.372 -8.746 1.00 0.00 H new ATOM 0 HG21 VAL B 47 5.285 -3.474 -7.121 1.00 0.00 H new ATOM 0 HG22 VAL B 47 3.804 -4.224 -6.477 1.00 0.00 H new ATOM 0 HG23 VAL B 47 5.353 -4.440 -5.627 1.00 0.00 H new ATOM 1029 N LEU B 48 4.870 -6.353 -4.354 1.00 0.00 N ATOM 1030 CA LEU B 48 5.486 -6.467 -3.037 1.00 0.00 C ATOM 1031 C LEU B 48 4.847 -7.597 -2.238 1.00 0.00 C ATOM 1032 O LEU B 48 3.629 -7.635 -2.064 1.00 0.00 O ATOM 1033 CB LEU B 48 5.360 -5.148 -2.268 1.00 0.00 C ATOM 1034 CG LEU B 48 5.620 -3.885 -3.091 1.00 0.00 C ATOM 1035 CD1 LEU B 48 5.427 -2.643 -2.237 1.00 0.00 C ATOM 1036 CD2 LEU B 48 7.021 -3.914 -3.683 1.00 0.00 C ATOM 0 H LEU B 48 4.081 -5.708 -4.398 1.00 0.00 H new ATOM 0 HA LEU B 48 6.543 -6.693 -3.178 1.00 0.00 H new ATOM 0 HB2 LEU B 48 4.357 -5.087 -1.846 1.00 0.00 H new ATOM 0 HB3 LEU B 48 6.058 -5.166 -1.431 1.00 0.00 H new ATOM 0 HG LEU B 48 4.901 -3.853 -3.910 1.00 0.00 H new ATOM 0 HD11 LEU B 48 5.616 -1.754 -2.839 1.00 0.00 H new ATOM 0 HD12 LEU B 48 4.404 -2.615 -1.861 1.00 0.00 H new ATOM 0 HD13 LEU B 48 6.122 -2.667 -1.398 1.00 0.00 H new ATOM 0 HD21 LEU B 48 7.189 -3.008 -4.265 1.00 0.00 H new ATOM 0 HD22 LEU B 48 7.755 -3.970 -2.879 1.00 0.00 H new ATOM 0 HD23 LEU B 48 7.125 -4.785 -4.330 1.00 0.00 H new ATOM 1048 N LYS B 49 5.677 -8.514 -1.756 1.00 0.00 N ATOM 1049 CA LYS B 49 5.197 -9.650 -0.977 1.00 0.00 C ATOM 1050 C LYS B 49 5.035 -9.273 0.492 1.00 0.00 C ATOM 1051 O LYS B 49 5.868 -8.561 1.056 1.00 0.00 O ATOM 1052 CB LYS B 49 6.162 -10.828 -1.113 1.00 0.00 C ATOM 1053 CG LYS B 49 5.739 -12.058 -0.325 1.00 0.00 C ATOM 1054 CD LYS B 49 6.748 -13.189 -0.460 1.00 0.00 C ATOM 1055 CE LYS B 49 7.952 -12.987 0.450 1.00 0.00 C ATOM 1056 NZ LYS B 49 8.787 -11.827 0.031 1.00 0.00 N ATOM 0 H LYS B 49 6.688 -8.493 -1.891 1.00 0.00 H new ATOM 0 HA LYS B 49 4.221 -9.942 -1.366 1.00 0.00 H new ATOM 0 HB2 LYS B 49 6.250 -11.095 -2.166 1.00 0.00 H new ATOM 0 HB3 LYS B 49 7.152 -10.516 -0.779 1.00 0.00 H new ATOM 0 HG2 LYS B 49 5.626 -11.795 0.727 1.00 0.00 H new ATOM 0 HG3 LYS B 49 4.764 -12.397 -0.675 1.00 0.00 H new ATOM 0 HD2 LYS B 49 6.266 -14.136 -0.219 1.00 0.00 H new ATOM 0 HD3 LYS B 49 7.082 -13.256 -1.495 1.00 0.00 H new ATOM 0 HE2 LYS B 49 7.610 -12.835 1.474 1.00 0.00 H new ATOM 0 HE3 LYS B 49 8.562 -13.890 0.449 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 9.786 -12.022 0.246 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 8.677 -11.672 -0.991 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 8.482 -10.976 0.545 1.00 0.00 H new ATOM 1070 N ARG B 50 3.962 -9.759 1.108 1.00 0.00 N ATOM 1071 CA ARG B 50 3.690 -9.473 2.514 1.00 0.00 C ATOM 1072 C ARG B 50 4.349 -10.514 3.413 1.00 0.00 C ATOM 1073 O ARG B 50 4.571 -11.653 3.005 1.00 0.00 O ATOM 1074 CB ARG B 50 2.182 -9.443 2.767 1.00 0.00 C ATOM 1075 CG ARG B 50 1.448 -8.398 1.940 1.00 0.00 C ATOM 1076 CD ARG B 50 -0.040 -8.386 2.252 1.00 0.00 C ATOM 1077 NE ARG B 50 -0.662 -9.683 1.995 1.00 0.00 N ATOM 1078 CZ ARG B 50 -1.936 -9.956 2.268 1.00 0.00 C ATOM 1079 NH1 ARG B 50 -2.716 -9.029 2.804 1.00 0.00 N ATOM 1080 NH2 ARG B 50 -2.426 -11.160 2.004 1.00 0.00 N ATOM 0 H ARG B 50 3.266 -10.353 0.657 1.00 0.00 H new ATOM 0 HA ARG B 50 4.109 -8.495 2.751 1.00 0.00 H new ATOM 0 HB2 ARG B 50 1.765 -10.426 2.548 1.00 0.00 H new ATOM 0 HB3 ARG B 50 2.003 -9.249 3.825 1.00 0.00 H new ATOM 0 HG2 ARG B 50 1.870 -7.413 2.138 1.00 0.00 H new ATOM 0 HG3 ARG B 50 1.597 -8.601 0.880 1.00 0.00 H new ATOM 0 HD2 ARG B 50 -0.190 -8.112 3.296 1.00 0.00 H new ATOM 0 HD3 ARG B 50 -0.531 -7.622 1.649 1.00 0.00 H new ATOM 0 HE ARG B 50 -0.089 -10.420 1.584 1.00 0.00 H new ATOM 0 HH11 ARG B 50 -2.341 -8.103 3.009 1.00 0.00 H new ATOM 0 HH12 ARG B 50 -3.692 -9.241 3.012 1.00 0.00 H new ATOM 0 HH21 ARG B 50 -1.827 -11.875 1.592 1.00 0.00 H new ATOM 0 HH22 ARG B 50 -3.402 -11.370 2.213 1.00 0.00 H new ATOM 1349 N GLU B 71 -0.146 -0.157 18.222 1.00 0.00 N ATOM 1350 CA GLU B 71 0.450 0.579 17.113 1.00 0.00 C ATOM 1351 C GLU B 71 0.441 -0.258 15.838 1.00 0.00 C ATOM 1352 O GLU B 71 1.069 -1.316 15.773 1.00 0.00 O ATOM 1353 CB GLU B 71 1.884 0.993 17.457 1.00 0.00 C ATOM 1354 CG GLU B 71 1.974 1.965 18.623 1.00 0.00 C ATOM 1355 CD GLU B 71 3.402 2.369 18.935 1.00 0.00 C ATOM 1356 OE1 GLU B 71 4.048 1.682 19.755 1.00 0.00 O ATOM 1357 OE2 GLU B 71 3.874 3.372 18.359 1.00 0.00 O ATOM 0 HA GLU B 71 -0.147 1.475 16.942 1.00 0.00 H new ATOM 0 HB2 GLU B 71 2.464 0.101 17.693 1.00 0.00 H new ATOM 0 HB3 GLU B 71 2.342 1.448 16.579 1.00 0.00 H new ATOM 0 HG2 GLU B 71 1.390 2.856 18.394 1.00 0.00 H new ATOM 0 HG3 GLU B 71 1.528 1.509 19.507 1.00 0.00 H new ATOM 1364 N SER B 72 -0.275 0.223 14.826 1.00 0.00 N ATOM 1365 CA SER B 72 -0.368 -0.481 13.551 1.00 0.00 C ATOM 1366 C SER B 72 0.987 -0.521 12.852 1.00 0.00 C ATOM 1367 O SER B 72 1.568 0.519 12.541 1.00 0.00 O ATOM 1368 CB SER B 72 -1.402 0.193 12.647 1.00 0.00 C ATOM 1369 OG SER B 72 -2.685 0.191 13.247 1.00 0.00 O ATOM 0 H SER B 72 -0.799 1.097 14.864 1.00 0.00 H new ATOM 0 HA SER B 72 -0.683 -1.505 13.751 1.00 0.00 H new ATOM 0 HB2 SER B 72 -1.095 1.219 12.441 1.00 0.00 H new ATOM 0 HB3 SER B 72 -1.445 -0.325 11.689 1.00 0.00 H new ATOM 0 HG SER B 72 -2.763 0.956 13.855 1.00 0.00 H new ATOM 1375 N THR B 73 1.484 -1.730 12.607 1.00 0.00 N ATOM 1376 CA THR B 73 2.770 -1.909 11.944 1.00 0.00 C ATOM 1377 C THR B 73 2.584 -2.475 10.538 1.00 0.00 C ATOM 1378 O THR B 73 1.908 -3.487 10.350 1.00 0.00 O ATOM 1379 CB THR B 73 3.690 -2.846 12.746 1.00 0.00 C ATOM 1380 OG1 THR B 73 3.866 -2.340 14.076 1.00 0.00 O ATOM 1381 CG2 THR B 73 5.048 -2.987 12.072 1.00 0.00 C ATOM 0 H THR B 73 1.015 -2.600 12.858 1.00 0.00 H new ATOM 0 HA THR B 73 3.236 -0.926 11.881 1.00 0.00 H new ATOM 0 HB THR B 73 3.219 -3.828 12.787 1.00 0.00 H new ATOM 0 HG1 THR B 73 4.451 -2.943 14.581 1.00 0.00 H new ATOM 0 HG21 THR B 73 5.678 -3.654 12.660 1.00 0.00 H new ATOM 0 HG22 THR B 73 4.917 -3.399 11.072 1.00 0.00 H new ATOM 0 HG23 THR B 73 5.523 -2.008 12.002 1.00 0.00 H new ATOM 1389 N TRP B 74 3.188 -1.814 9.554 1.00 0.00 N ATOM 1390 CA TRP B 74 3.090 -2.252 8.167 1.00 0.00 C ATOM 1391 C TRP B 74 4.453 -2.681 7.632 1.00 0.00 C ATOM 1392 O TRP B 74 5.297 -1.844 7.312 1.00 0.00 O ATOM 1393 CB TRP B 74 2.519 -1.130 7.295 1.00 0.00 C ATOM 1394 CG TRP B 74 1.181 -0.640 7.756 1.00 0.00 C ATOM 1395 CD1 TRP B 74 0.880 0.612 8.211 1.00 0.00 C ATOM 1396 CD2 TRP B 74 -0.038 -1.390 7.811 1.00 0.00 C ATOM 1397 NE1 TRP B 74 -0.452 0.686 8.543 1.00 0.00 N ATOM 1398 CE2 TRP B 74 -1.036 -0.532 8.308 1.00 0.00 C ATOM 1399 CE3 TRP B 74 -0.383 -2.707 7.490 1.00 0.00 C ATOM 1400 CZ2 TRP B 74 -2.354 -0.946 8.487 1.00 0.00 C ATOM 1401 CZ3 TRP B 74 -1.690 -3.116 7.668 1.00 0.00 C ATOM 1402 CH2 TRP B 74 -2.662 -2.239 8.163 1.00 0.00 C ATOM 0 H TRP B 74 3.750 -0.974 9.692 1.00 0.00 H new ATOM 0 HA TRP B 74 2.419 -3.110 8.131 1.00 0.00 H new ATOM 0 HB2 TRP B 74 3.220 -0.295 7.285 1.00 0.00 H new ATOM 0 HB3 TRP B 74 2.433 -1.486 6.268 1.00 0.00 H new ATOM 0 HD1 TRP B 74 1.585 1.425 8.297 1.00 0.00 H new ATOM 0 HE1 TRP B 74 -0.928 1.512 8.905 1.00 0.00 H new ATOM 0 HE3 TRP B 74 0.360 -3.392 7.109 1.00 0.00 H new ATOM 0 HZ2 TRP B 74 -3.106 -0.271 8.868 1.00 0.00 H new ATOM 0 HZ3 TRP B 74 -1.967 -4.130 7.421 1.00 0.00 H new ATOM 0 HH2 TRP B 74 -3.675 -2.590 8.292 1.00 0.00 H new ATOM 1413 N ARG B 75 4.661 -3.992 7.539 1.00 0.00 N ATOM 1414 CA ARG B 75 5.920 -4.534 7.044 1.00 0.00 C ATOM 1415 C ARG B 75 5.730 -5.186 5.677 1.00 0.00 C ATOM 1416 O ARG B 75 4.847 -6.027 5.498 1.00 0.00 O ATOM 1417 CB ARG B 75 6.485 -5.551 8.036 1.00 0.00 C ATOM 1418 CG ARG B 75 7.862 -6.067 7.655 1.00 0.00 C ATOM 1419 CD ARG B 75 8.514 -6.809 8.809 1.00 0.00 C ATOM 1420 NE ARG B 75 7.742 -7.980 9.215 1.00 0.00 N ATOM 1421 CZ ARG B 75 8.070 -8.762 10.239 1.00 0.00 C ATOM 1422 NH1 ARG B 75 9.154 -8.499 10.958 1.00 0.00 N ATOM 1423 NH2 ARG B 75 7.316 -9.808 10.545 1.00 0.00 N ATOM 0 H ARG B 75 3.972 -4.698 7.801 1.00 0.00 H new ATOM 0 HA ARG B 75 6.627 -3.711 6.938 1.00 0.00 H new ATOM 0 HB2 ARG B 75 6.538 -5.093 9.024 1.00 0.00 H new ATOM 0 HB3 ARG B 75 5.798 -6.394 8.112 1.00 0.00 H new ATOM 0 HG2 ARG B 75 7.778 -6.731 6.794 1.00 0.00 H new ATOM 0 HG3 ARG B 75 8.495 -5.232 7.353 1.00 0.00 H new ATOM 0 HD2 ARG B 75 9.518 -7.120 8.519 1.00 0.00 H new ATOM 0 HD3 ARG B 75 8.622 -6.134 9.658 1.00 0.00 H new ATOM 0 HE ARG B 75 6.903 -8.211 8.683 1.00 0.00 H new ATOM 0 HH11 ARG B 75 9.738 -7.695 10.726 1.00 0.00 H new ATOM 0 HH12 ARG B 75 9.404 -9.100 11.743 1.00 0.00 H new ATOM 0 HH21 ARG B 75 6.482 -10.014 9.995 1.00 0.00 H new ATOM 0 HH22 ARG B 75 7.569 -10.407 11.331 1.00 0.00 H new ATOM 1437 N PHE B 76 6.562 -4.795 4.714 1.00 0.00 N ATOM 1438 CA PHE B 76 6.475 -5.343 3.364 1.00 0.00 C ATOM 1439 C PHE B 76 7.859 -5.632 2.790 1.00 0.00 C ATOM 1440 O PHE B 76 8.844 -4.992 3.161 1.00 0.00 O ATOM 1441 CB PHE B 76 5.726 -4.375 2.445 1.00 0.00 C ATOM 1442 CG PHE B 76 4.302 -4.132 2.854 1.00 0.00 C ATOM 1443 CD1 PHE B 76 3.956 -2.992 3.562 1.00 0.00 C ATOM 1444 CD2 PHE B 76 3.310 -5.044 2.531 1.00 0.00 C ATOM 1445 CE1 PHE B 76 2.646 -2.766 3.937 1.00 0.00 C ATOM 1446 CE2 PHE B 76 1.998 -4.823 2.904 1.00 0.00 C ATOM 1447 CZ PHE B 76 1.666 -3.682 3.609 1.00 0.00 C ATOM 0 H PHE B 76 7.301 -4.104 4.843 1.00 0.00 H new ATOM 0 HA PHE B 76 5.927 -6.283 3.423 1.00 0.00 H new ATOM 0 HB2 PHE B 76 6.256 -3.423 2.426 1.00 0.00 H new ATOM 0 HB3 PHE B 76 5.740 -4.769 1.429 1.00 0.00 H new ATOM 0 HD1 PHE B 76 4.718 -2.273 3.823 1.00 0.00 H new ATOM 0 HD2 PHE B 76 3.565 -5.938 1.981 1.00 0.00 H new ATOM 0 HE1 PHE B 76 2.388 -1.873 4.487 1.00 0.00 H new ATOM 0 HE2 PHE B 76 1.234 -5.541 2.645 1.00 0.00 H new ATOM 0 HZ PHE B 76 0.642 -3.507 3.903 1.00 0.00 H new ATOM 1457 N ARG B 77 7.916 -6.601 1.879 1.00 0.00 N ATOM 1458 CA ARG B 77 9.167 -6.989 1.232 1.00 0.00 C ATOM 1459 C ARG B 77 8.986 -7.043 -0.283 1.00 0.00 C ATOM 1460 O ARG B 77 7.925 -7.425 -0.774 1.00 0.00 O ATOM 1461 CB ARG B 77 9.627 -8.356 1.753 1.00 0.00 C ATOM 1462 CG ARG B 77 10.708 -9.015 0.907 1.00 0.00 C ATOM 1463 CD ARG B 77 12.039 -8.294 1.026 1.00 0.00 C ATOM 1464 NE ARG B 77 13.111 -9.017 0.347 1.00 0.00 N ATOM 1465 CZ ARG B 77 14.297 -9.270 0.896 1.00 0.00 C ATOM 1466 NH1 ARG B 77 14.564 -8.849 2.126 1.00 0.00 N ATOM 1467 NH2 ARG B 77 15.215 -9.942 0.216 1.00 0.00 N ATOM 0 H ARG B 77 7.104 -7.135 1.571 1.00 0.00 H new ATOM 0 HA ARG B 77 9.927 -6.244 1.468 1.00 0.00 H new ATOM 0 HB2 ARG B 77 9.999 -8.238 2.771 1.00 0.00 H new ATOM 0 HB3 ARG B 77 8.765 -9.022 1.804 1.00 0.00 H new ATOM 0 HG2 ARG B 77 10.829 -10.053 1.217 1.00 0.00 H new ATOM 0 HG3 ARG B 77 10.394 -9.028 -0.137 1.00 0.00 H new ATOM 0 HD2 ARG B 77 11.950 -7.294 0.602 1.00 0.00 H new ATOM 0 HD3 ARG B 77 12.293 -8.172 2.079 1.00 0.00 H new ATOM 0 HE ARG B 77 12.941 -9.347 -0.603 1.00 0.00 H new ATOM 0 HH11 ARG B 77 13.860 -8.331 2.652 1.00 0.00 H new ATOM 0 HH12 ARG B 77 15.473 -9.044 2.546 1.00 0.00 H new ATOM 0 HH21 ARG B 77 15.013 -10.266 -0.730 1.00 0.00 H new ATOM 0 HH22 ARG B 77 16.123 -10.135 0.638 1.00 0.00 H new ATOM 1481 N VAL B 78 10.023 -6.656 -1.019 1.00 0.00 N ATOM 1482 CA VAL B 78 9.963 -6.670 -2.477 1.00 0.00 C ATOM 1483 C VAL B 78 10.385 -8.030 -3.026 1.00 0.00 C ATOM 1484 O VAL B 78 11.534 -8.445 -2.872 1.00 0.00 O ATOM 1485 CB VAL B 78 10.856 -5.572 -3.087 1.00 0.00 C ATOM 1486 CG1 VAL B 78 10.689 -5.522 -4.599 1.00 0.00 C ATOM 1487 CG2 VAL B 78 10.534 -4.222 -2.464 1.00 0.00 C ATOM 0 H VAL B 78 10.910 -6.331 -0.633 1.00 0.00 H new ATOM 0 HA VAL B 78 8.928 -6.475 -2.758 1.00 0.00 H new ATOM 0 HB VAL B 78 11.897 -5.812 -2.870 1.00 0.00 H new ATOM 0 HG11 VAL B 78 11.328 -4.740 -5.010 1.00 0.00 H new ATOM 0 HG12 VAL B 78 10.970 -6.484 -5.028 1.00 0.00 H new ATOM 0 HG13 VAL B 78 9.649 -5.306 -4.843 1.00 0.00 H new ATOM 0 HG21 VAL B 78 11.173 -3.456 -2.905 1.00 0.00 H new ATOM 0 HG22 VAL B 78 9.489 -3.975 -2.651 1.00 0.00 H new ATOM 0 HG23 VAL B 78 10.709 -4.266 -1.389 1.00 0.00 H new ATOM 1497 N ALA B 79 9.446 -8.723 -3.667 1.00 0.00 N ATOM 1498 CA ALA B 79 9.712 -10.043 -4.230 1.00 0.00 C ATOM 1499 C ALA B 79 10.025 -9.965 -5.721 1.00 0.00 C ATOM 1500 O ALA B 79 10.920 -10.656 -6.213 1.00 0.00 O ATOM 1501 CB ALA B 79 8.528 -10.965 -3.987 1.00 0.00 C ATOM 0 H ALA B 79 8.492 -8.390 -3.809 1.00 0.00 H new ATOM 0 HA ALA B 79 10.590 -10.449 -3.728 1.00 0.00 H new ATOM 0 HB1 ALA B 79 8.738 -11.947 -4.411 1.00 0.00 H new ATOM 0 HB2 ALA B 79 8.357 -11.062 -2.915 1.00 0.00 H new ATOM 0 HB3 ALA B 79 7.639 -10.548 -4.460 1.00 0.00 H new ATOM 1507 N ALA B 80 9.281 -9.129 -6.441 1.00 0.00 N ATOM 1508 CA ALA B 80 9.485 -8.967 -7.876 1.00 0.00 C ATOM 1509 C ALA B 80 9.344 -7.512 -8.294 1.00 0.00 C ATOM 1510 O ALA B 80 9.087 -6.638 -7.467 1.00 0.00 O ATOM 1511 CB ALA B 80 8.503 -9.829 -8.655 1.00 0.00 C ATOM 0 H ALA B 80 8.533 -8.554 -6.054 1.00 0.00 H new ATOM 0 HA ALA B 80 10.501 -9.290 -8.104 1.00 0.00 H new ATOM 0 HB1 ALA B 80 8.670 -9.695 -9.724 1.00 0.00 H new ATOM 0 HB2 ALA B 80 8.651 -10.877 -8.393 1.00 0.00 H new ATOM 0 HB3 ALA B 80 7.483 -9.534 -8.407 1.00 0.00 H new ATOM 1517 N SER B 81 9.515 -7.263 -9.587 1.00 0.00 N ATOM 1518 CA SER B 81 9.410 -5.930 -10.131 1.00 0.00 C ATOM 1519 C SER B 81 7.966 -5.599 -10.476 1.00 0.00 C ATOM 1520 O SER B 81 7.043 -6.323 -10.099 1.00 0.00 O ATOM 1521 CB SER B 81 10.288 -5.812 -11.371 1.00 0.00 C ATOM 1522 OG SER B 81 11.660 -5.935 -11.039 1.00 0.00 O ATOM 0 H SER B 81 9.729 -7.981 -10.279 1.00 0.00 H new ATOM 0 HA SER B 81 9.750 -5.218 -9.379 1.00 0.00 H new ATOM 0 HB2 SER B 81 10.014 -6.585 -12.089 1.00 0.00 H new ATOM 0 HB3 SER B 81 10.112 -4.851 -11.854 1.00 0.00 H new ATOM 0 HG SER B 81 12.170 -6.176 -11.840 1.00 0.00 H new ATOM 1528 N GLY B 82 7.782 -4.507 -11.203 1.00 0.00 N ATOM 1529 CA GLY B 82 6.450 -4.082 -11.592 1.00 0.00 C ATOM 1530 C GLY B 82 6.038 -2.782 -10.932 1.00 0.00 C ATOM 1531 O GLY B 82 6.710 -2.297 -10.020 1.00 0.00 O ATOM 0 H GLY B 82 8.535 -3.903 -11.533 1.00 0.00 H new ATOM 0 HA2 GLY B 82 6.412 -3.964 -12.675 1.00 0.00 H new ATOM 0 HA3 GLY B 82 5.733 -4.861 -11.331 1.00 0.00 H new ATOM 1535 N ASP B 83 4.930 -2.216 -11.399 1.00 0.00 N ATOM 1536 CA ASP B 83 4.413 -0.969 -10.858 1.00 0.00 C ATOM 1537 C ASP B 83 3.367 -1.240 -9.782 1.00 0.00 C ATOM 1538 O ASP B 83 2.663 -2.249 -9.828 1.00 0.00 O ATOM 1539 CB ASP B 83 3.803 -0.134 -11.981 1.00 0.00 C ATOM 1540 CG ASP B 83 2.771 -0.904 -12.782 1.00 0.00 C ATOM 1541 OD1 ASP B 83 1.580 -0.868 -12.405 1.00 0.00 O ATOM 1542 OD2 ASP B 83 3.154 -1.544 -13.784 1.00 0.00 O ATOM 0 H ASP B 83 4.371 -2.607 -12.157 1.00 0.00 H new ATOM 0 HA ASP B 83 5.237 -0.418 -10.404 1.00 0.00 H new ATOM 0 HB2 ASP B 83 3.339 0.756 -11.557 1.00 0.00 H new ATOM 0 HB3 ASP B 83 4.595 0.207 -12.648 1.00 0.00 H new ATOM 1547 N ASP B 84 3.269 -0.332 -8.817 1.00 0.00 N ATOM 1548 CA ASP B 84 2.308 -0.470 -7.731 1.00 0.00 C ATOM 1549 C ASP B 84 2.187 0.831 -6.951 1.00 0.00 C ATOM 1550 O ASP B 84 2.960 1.766 -7.157 1.00 0.00 O ATOM 1551 CB ASP B 84 2.728 -1.600 -6.789 1.00 0.00 C ATOM 1552 CG ASP B 84 3.989 -1.267 -6.016 1.00 0.00 C ATOM 1553 OD1 ASP B 84 3.888 -1.014 -4.797 1.00 0.00 O ATOM 1554 OD2 ASP B 84 5.077 -1.258 -6.629 1.00 0.00 O ATOM 0 H ASP B 84 3.845 0.508 -8.766 1.00 0.00 H new ATOM 0 HA ASP B 84 1.338 -0.710 -8.166 1.00 0.00 H new ATOM 0 HB2 ASP B 84 1.919 -1.805 -6.088 1.00 0.00 H new ATOM 0 HB3 ASP B 84 2.888 -2.510 -7.366 1.00 0.00 H new ATOM 1559 N ARG B 85 1.207 0.886 -6.060 1.00 0.00 N ATOM 1560 CA ARG B 85 0.982 2.062 -5.241 1.00 0.00 C ATOM 1561 C ARG B 85 0.253 1.684 -3.957 1.00 0.00 C ATOM 1562 O ARG B 85 -0.932 1.355 -3.979 1.00 0.00 O ATOM 1563 CB ARG B 85 0.171 3.093 -6.020 1.00 0.00 C ATOM 1564 CG ARG B 85 -0.062 4.371 -5.249 1.00 0.00 C ATOM 1565 CD ARG B 85 -0.966 5.325 -6.011 1.00 0.00 C ATOM 1566 NE ARG B 85 -0.362 5.767 -7.266 1.00 0.00 N ATOM 1567 CZ ARG B 85 -0.991 6.523 -8.162 1.00 0.00 C ATOM 1568 NH1 ARG B 85 -2.236 6.922 -7.941 1.00 0.00 N ATOM 1569 NH2 ARG B 85 -0.372 6.882 -9.279 1.00 0.00 N ATOM 0 H ARG B 85 0.553 0.123 -5.888 1.00 0.00 H new ATOM 0 HA ARG B 85 1.947 2.494 -4.978 1.00 0.00 H new ATOM 0 HB2 ARG B 85 0.689 3.326 -6.950 1.00 0.00 H new ATOM 0 HB3 ARG B 85 -0.791 2.659 -6.292 1.00 0.00 H new ATOM 0 HG2 ARG B 85 -0.510 4.138 -4.283 1.00 0.00 H new ATOM 0 HG3 ARG B 85 0.894 4.856 -5.049 1.00 0.00 H new ATOM 0 HD2 ARG B 85 -1.917 4.835 -6.219 1.00 0.00 H new ATOM 0 HD3 ARG B 85 -1.184 6.193 -5.388 1.00 0.00 H new ATOM 0 HE ARG B 85 0.596 5.480 -7.466 1.00 0.00 H new ATOM 0 HH11 ARG B 85 -2.714 6.649 -7.082 1.00 0.00 H new ATOM 0 HH12 ARG B 85 -2.716 7.502 -8.630 1.00 0.00 H new ATOM 0 HH21 ARG B 85 0.586 6.578 -9.451 1.00 0.00 H new ATOM 0 HH22 ARG B 85 -0.855 7.462 -9.966 1.00 0.00 H new ATOM 1583 N LEU B 86 0.967 1.731 -2.836 1.00 0.00 N ATOM 1584 CA LEU B 86 0.380 1.379 -1.549 1.00 0.00 C ATOM 1585 C LEU B 86 -0.716 2.365 -1.162 1.00 0.00 C ATOM 1586 O LEU B 86 -0.483 3.573 -1.093 1.00 0.00 O ATOM 1587 CB LEU B 86 1.457 1.336 -0.463 1.00 0.00 C ATOM 1588 CG LEU B 86 1.127 0.441 0.735 1.00 0.00 C ATOM 1589 CD1 LEU B 86 1.122 -1.024 0.323 1.00 0.00 C ATOM 1590 CD2 LEU B 86 2.119 0.673 1.864 1.00 0.00 C ATOM 0 H LEU B 86 1.948 2.008 -2.793 1.00 0.00 H new ATOM 0 HA LEU B 86 -0.066 0.389 -1.642 1.00 0.00 H new ATOM 0 HB2 LEU B 86 2.390 0.992 -0.910 1.00 0.00 H new ATOM 0 HB3 LEU B 86 1.631 2.350 -0.104 1.00 0.00 H new ATOM 0 HG LEU B 86 0.131 0.701 1.093 1.00 0.00 H new ATOM 0 HD11 LEU B 86 0.886 -1.644 1.188 1.00 0.00 H new ATOM 0 HD12 LEU B 86 0.372 -1.181 -0.452 1.00 0.00 H new ATOM 0 HD13 LEU B 86 2.105 -1.297 -0.062 1.00 0.00 H new ATOM 0 HD21 LEU B 86 1.869 0.028 2.707 1.00 0.00 H new ATOM 0 HD22 LEU B 86 3.126 0.442 1.517 1.00 0.00 H new ATOM 0 HD23 LEU B 86 2.074 1.716 2.179 1.00 0.00 H new ATOM 1602 N GLU B 87 -1.912 1.843 -0.907 1.00 0.00 N ATOM 1603 CA GLU B 87 -3.050 2.675 -0.532 1.00 0.00 C ATOM 1604 C GLU B 87 -3.539 2.336 0.874 1.00 0.00 C ATOM 1605 O GLU B 87 -3.837 1.180 1.176 1.00 0.00 O ATOM 1606 CB GLU B 87 -4.196 2.493 -1.531 1.00 0.00 C ATOM 1607 CG GLU B 87 -3.815 2.804 -2.970 1.00 0.00 C ATOM 1608 CD GLU B 87 -5.008 2.805 -3.905 1.00 0.00 C ATOM 1609 OE1 GLU B 87 -5.256 1.767 -4.555 1.00 0.00 O ATOM 1610 OE2 GLU B 87 -5.698 3.843 -3.986 1.00 0.00 O ATOM 0 H GLU B 87 -2.118 0.845 -0.953 1.00 0.00 H new ATOM 0 HA GLU B 87 -2.721 3.714 -0.545 1.00 0.00 H new ATOM 0 HB2 GLU B 87 -4.554 1.465 -1.474 1.00 0.00 H new ATOM 0 HB3 GLU B 87 -5.026 3.136 -1.238 1.00 0.00 H new ATOM 0 HG2 GLU B 87 -3.327 3.778 -3.010 1.00 0.00 H new ATOM 0 HG3 GLU B 87 -3.088 2.069 -3.316 1.00 0.00 H new ATOM 1617 N LEU B 88 -3.616 3.353 1.727 1.00 0.00 N ATOM 1618 CA LEU B 88 -4.077 3.169 3.099 1.00 0.00 C ATOM 1619 C LEU B 88 -5.098 4.238 3.472 1.00 0.00 C ATOM 1620 O LEU B 88 -5.047 5.359 2.967 1.00 0.00 O ATOM 1621 CB LEU B 88 -2.898 3.218 4.076 1.00 0.00 C ATOM 1622 CG LEU B 88 -1.837 2.133 3.875 1.00 0.00 C ATOM 1623 CD1 LEU B 88 -0.837 2.552 2.809 1.00 0.00 C ATOM 1624 CD2 LEU B 88 -1.126 1.834 5.187 1.00 0.00 C ATOM 0 H LEU B 88 -3.365 4.313 1.492 1.00 0.00 H new ATOM 0 HA LEU B 88 -4.551 2.190 3.165 1.00 0.00 H new ATOM 0 HB2 LEU B 88 -2.418 4.193 3.992 1.00 0.00 H new ATOM 0 HB3 LEU B 88 -3.286 3.140 5.092 1.00 0.00 H new ATOM 0 HG LEU B 88 -2.335 1.224 3.538 1.00 0.00 H new ATOM 0 HD11 LEU B 88 -0.091 1.767 2.681 1.00 0.00 H new ATOM 0 HD12 LEU B 88 -1.358 2.715 1.865 1.00 0.00 H new ATOM 0 HD13 LEU B 88 -0.344 3.475 3.115 1.00 0.00 H new ATOM 0 HD21 LEU B 88 -0.375 1.060 5.026 1.00 0.00 H new ATOM 0 HD22 LEU B 88 -0.642 2.739 5.553 1.00 0.00 H new ATOM 0 HD23 LEU B 88 -1.851 1.488 5.923 1.00 0.00 H new ATOM 1636 N VAL B 89 -6.027 3.885 4.355 1.00 0.00 N ATOM 1637 CA VAL B 89 -7.058 4.820 4.794 1.00 0.00 C ATOM 1638 C VAL B 89 -7.336 4.665 6.286 1.00 0.00 C ATOM 1639 O VAL B 89 -7.044 3.623 6.877 1.00 0.00 O ATOM 1640 CB VAL B 89 -8.371 4.628 4.009 1.00 0.00 C ATOM 1641 CG1 VAL B 89 -8.138 4.815 2.518 1.00 0.00 C ATOM 1642 CG2 VAL B 89 -8.976 3.260 4.297 1.00 0.00 C ATOM 0 H VAL B 89 -6.087 2.960 4.780 1.00 0.00 H new ATOM 0 HA VAL B 89 -6.679 5.823 4.600 1.00 0.00 H new ATOM 0 HB VAL B 89 -9.080 5.387 4.338 1.00 0.00 H new ATOM 0 HG11 VAL B 89 -9.077 4.675 1.983 1.00 0.00 H new ATOM 0 HG12 VAL B 89 -7.760 5.820 2.332 1.00 0.00 H new ATOM 0 HG13 VAL B 89 -7.409 4.084 2.169 1.00 0.00 H new ATOM 0 HG21 VAL B 89 -9.902 3.146 3.733 1.00 0.00 H new ATOM 0 HG22 VAL B 89 -8.272 2.482 4.002 1.00 0.00 H new ATOM 0 HG23 VAL B 89 -9.187 3.173 5.363 1.00 0.00 H new ATOM 1652 N TYR B 90 -7.906 5.703 6.891 1.00 0.00 N ATOM 1653 CA TYR B 90 -8.214 5.687 8.316 1.00 0.00 C ATOM 1654 C TYR B 90 -9.721 5.624 8.550 1.00 0.00 C ATOM 1655 O TYR B 90 -10.423 6.628 8.414 1.00 0.00 O ATOM 1656 CB TYR B 90 -7.628 6.930 8.991 1.00 0.00 C ATOM 1657 CG TYR B 90 -7.843 6.986 10.487 1.00 0.00 C ATOM 1658 CD1 TYR B 90 -8.465 8.080 11.074 1.00 0.00 C ATOM 1659 CD2 TYR B 90 -7.422 5.950 11.312 1.00 0.00 C ATOM 1660 CE1 TYR B 90 -8.662 8.140 12.441 1.00 0.00 C ATOM 1661 CE2 TYR B 90 -7.615 6.002 12.678 1.00 0.00 C ATOM 1662 CZ TYR B 90 -8.236 7.099 13.239 1.00 0.00 C ATOM 1663 OH TYR B 90 -8.429 7.154 14.600 1.00 0.00 O ATOM 0 H TYR B 90 -8.164 6.567 6.415 1.00 0.00 H new ATOM 0 HA TYR B 90 -7.765 4.795 8.753 1.00 0.00 H new ATOM 0 HB2 TYR B 90 -6.558 6.969 8.788 1.00 0.00 H new ATOM 0 HB3 TYR B 90 -8.071 7.817 8.539 1.00 0.00 H new ATOM 0 HD1 TYR B 90 -8.800 8.897 10.453 1.00 0.00 H new ATOM 0 HD2 TYR B 90 -6.935 5.089 10.877 1.00 0.00 H new ATOM 0 HE1 TYR B 90 -9.147 8.998 12.882 1.00 0.00 H new ATOM 0 HE2 TYR B 90 -7.282 5.188 13.304 1.00 0.00 H new ATOM 0 HH TYR B 90 -8.072 6.341 15.014 1.00 0.00 H new ATOM 1673 N ARG B 91 -10.210 4.437 8.901 1.00 0.00 N ATOM 1674 CA ARG B 91 -11.632 4.239 9.160 1.00 0.00 C ATOM 1675 C ARG B 91 -11.876 2.901 9.851 1.00 0.00 C ATOM 1676 O ARG B 91 -10.942 2.137 10.093 1.00 0.00 O ATOM 1677 CB ARG B 91 -12.429 4.306 7.855 1.00 0.00 C ATOM 1678 CG ARG B 91 -11.947 3.333 6.792 1.00 0.00 C ATOM 1679 CD ARG B 91 -12.865 3.332 5.580 1.00 0.00 C ATOM 1680 NE ARG B 91 -12.339 2.513 4.492 1.00 0.00 N ATOM 1681 CZ ARG B 91 -13.104 1.872 3.615 1.00 0.00 C ATOM 1682 NH1 ARG B 91 -14.425 1.949 3.700 1.00 0.00 N ATOM 1683 NH2 ARG B 91 -12.547 1.152 2.649 1.00 0.00 N ATOM 0 H ARG B 91 -9.641 3.598 9.012 1.00 0.00 H new ATOM 0 HA ARG B 91 -11.969 5.038 9.821 1.00 0.00 H new ATOM 0 HB2 ARG B 91 -13.478 4.104 8.070 1.00 0.00 H new ATOM 0 HB3 ARG B 91 -12.374 5.320 7.458 1.00 0.00 H new ATOM 0 HG2 ARG B 91 -10.936 3.600 6.484 1.00 0.00 H new ATOM 0 HG3 ARG B 91 -11.897 2.329 7.213 1.00 0.00 H new ATOM 0 HD2 ARG B 91 -13.848 2.960 5.871 1.00 0.00 H new ATOM 0 HD3 ARG B 91 -13.002 4.355 5.229 1.00 0.00 H new ATOM 0 HE ARG B 91 -11.327 2.428 4.400 1.00 0.00 H new ATOM 0 HH11 ARG B 91 -14.857 2.502 4.440 1.00 0.00 H new ATOM 0 HH12 ARG B 91 -15.009 1.456 3.025 1.00 0.00 H new ATOM 0 HH21 ARG B 91 -11.531 1.091 2.580 1.00 0.00 H new ATOM 0 HH22 ARG B 91 -13.135 0.660 1.976 1.00 0.00 H new ATOM 1697 N ARG B 92 -13.139 2.626 10.165 1.00 0.00 N ATOM 1698 CA ARG B 92 -13.508 1.380 10.828 1.00 0.00 C ATOM 1699 C ARG B 92 -13.151 0.177 9.950 1.00 0.00 C ATOM 1700 O ARG B 92 -13.417 0.180 8.750 1.00 0.00 O ATOM 1701 CB ARG B 92 -14.997 1.395 11.170 1.00 0.00 C ATOM 1702 CG ARG B 92 -15.378 2.559 12.075 1.00 0.00 C ATOM 1703 CD ARG B 92 -16.883 2.694 12.224 1.00 0.00 C ATOM 1704 NE ARG B 92 -17.248 3.834 13.062 1.00 0.00 N ATOM 1705 CZ ARG B 92 -18.495 4.278 13.198 1.00 0.00 C ATOM 1706 NH1 ARG B 92 -19.491 3.685 12.553 1.00 0.00 N ATOM 1707 NH2 ARG B 92 -18.746 5.320 13.982 1.00 0.00 N ATOM 0 H ARG B 92 -13.923 3.249 9.971 1.00 0.00 H new ATOM 0 HA ARG B 92 -12.944 1.289 11.756 1.00 0.00 H new ATOM 0 HB2 ARG B 92 -15.577 1.451 10.249 1.00 0.00 H new ATOM 0 HB3 ARG B 92 -15.263 0.458 11.658 1.00 0.00 H new ATOM 0 HG2 ARG B 92 -14.928 2.417 13.057 1.00 0.00 H new ATOM 0 HG3 ARG B 92 -14.969 3.484 11.668 1.00 0.00 H new ATOM 0 HD2 ARG B 92 -17.336 2.807 11.239 1.00 0.00 H new ATOM 0 HD3 ARG B 92 -17.288 1.780 12.658 1.00 0.00 H new ATOM 0 HE ARG B 92 -16.506 4.316 13.570 1.00 0.00 H new ATOM 0 HH11 ARG B 92 -19.303 2.885 11.949 1.00 0.00 H new ATOM 0 HH12 ARG B 92 -20.445 4.029 12.661 1.00 0.00 H new ATOM 0 HH21 ARG B 92 -17.983 5.779 14.479 1.00 0.00 H new ATOM 0 HH22 ARG B 92 -19.702 5.661 14.087 1.00 0.00 H new ATOM 1721 N PRO B 93 -12.541 -0.868 10.546 1.00 0.00 N ATOM 1722 CA PRO B 93 -12.109 -2.061 9.812 1.00 0.00 C ATOM 1723 C PRO B 93 -13.202 -3.107 9.585 1.00 0.00 C ATOM 1724 O PRO B 93 -12.901 -4.297 9.488 1.00 0.00 O ATOM 1725 CB PRO B 93 -11.029 -2.624 10.729 1.00 0.00 C ATOM 1726 CG PRO B 93 -11.507 -2.294 12.099 1.00 0.00 C ATOM 1727 CD PRO B 93 -12.210 -0.968 11.984 1.00 0.00 C ATOM 0 HA PRO B 93 -11.790 -1.808 8.801 1.00 0.00 H new ATOM 0 HB2 PRO B 93 -10.914 -3.700 10.595 1.00 0.00 H new ATOM 0 HB3 PRO B 93 -10.058 -2.172 10.526 1.00 0.00 H new ATOM 0 HG2 PRO B 93 -12.183 -3.063 12.472 1.00 0.00 H new ATOM 0 HG3 PRO B 93 -10.674 -2.235 12.799 1.00 0.00 H new ATOM 0 HD2 PRO B 93 -13.106 -0.935 12.604 1.00 0.00 H new ATOM 0 HD3 PRO B 93 -11.570 -0.146 12.305 1.00 0.00 H new ATOM 1735 N TRP B 94 -14.460 -2.685 9.490 1.00 0.00 N ATOM 1736 CA TRP B 94 -15.541 -3.626 9.251 1.00 0.00 C ATOM 1737 C TRP B 94 -16.411 -3.128 8.106 1.00 0.00 C ATOM 1738 O TRP B 94 -17.239 -3.864 7.566 1.00 0.00 O ATOM 1739 CB TRP B 94 -16.371 -3.817 10.522 1.00 0.00 C ATOM 1740 CG TRP B 94 -16.854 -2.530 11.110 1.00 0.00 C ATOM 1741 CD1 TRP B 94 -16.388 -1.899 12.227 1.00 0.00 C ATOM 1742 CD2 TRP B 94 -17.899 -1.714 10.594 1.00 0.00 C ATOM 1743 NE1 TRP B 94 -17.090 -0.734 12.433 1.00 0.00 N ATOM 1744 CE2 TRP B 94 -18.025 -0.601 11.440 1.00 0.00 C ATOM 1745 CE3 TRP B 94 -18.739 -1.823 9.495 1.00 0.00 C ATOM 1746 CZ2 TRP B 94 -18.966 0.397 11.214 1.00 0.00 C ATOM 1747 CZ3 TRP B 94 -19.667 -0.838 9.267 1.00 0.00 C ATOM 1748 CH2 TRP B 94 -19.778 0.264 10.121 1.00 0.00 C ATOM 0 H TRP B 94 -14.750 -1.711 9.574 1.00 0.00 H new ATOM 0 HA TRP B 94 -15.120 -4.593 8.975 1.00 0.00 H new ATOM 0 HB2 TRP B 94 -17.229 -4.450 10.296 1.00 0.00 H new ATOM 0 HB3 TRP B 94 -15.772 -4.345 11.263 1.00 0.00 H new ATOM 0 HD1 TRP B 94 -15.587 -2.260 12.855 1.00 0.00 H new ATOM 0 HE1 TRP B 94 -16.939 -0.077 13.199 1.00 0.00 H new ATOM 0 HE3 TRP B 94 -18.664 -2.670 8.829 1.00 0.00 H new ATOM 0 HZ2 TRP B 94 -19.053 1.246 11.876 1.00 0.00 H new ATOM 0 HZ3 TRP B 94 -20.323 -0.915 8.413 1.00 0.00 H new ATOM 0 HH2 TRP B 94 -20.518 1.023 9.914 1.00 0.00 H new ATOM 1759 N GLU B 95 -16.205 -1.864 7.743 1.00 0.00 N ATOM 1760 CA GLU B 95 -16.956 -1.232 6.667 1.00 0.00 C ATOM 1761 C GLU B 95 -16.536 -1.786 5.309 1.00 0.00 C ATOM 1762 O GLU B 95 -15.368 -2.106 5.094 1.00 0.00 O ATOM 1763 CB GLU B 95 -16.737 0.284 6.700 1.00 0.00 C ATOM 1764 CG GLU B 95 -16.976 0.910 8.063 1.00 0.00 C ATOM 1765 CD GLU B 95 -16.607 2.381 8.101 1.00 0.00 C ATOM 1766 OE1 GLU B 95 -15.415 2.687 8.309 1.00 0.00 O ATOM 1767 OE2 GLU B 95 -17.511 3.224 7.925 1.00 0.00 O ATOM 0 H GLU B 95 -15.517 -1.254 8.185 1.00 0.00 H new ATOM 0 HA GLU B 95 -18.014 -1.450 6.814 1.00 0.00 H new ATOM 0 HB2 GLU B 95 -15.716 0.501 6.385 1.00 0.00 H new ATOM 0 HB3 GLU B 95 -17.401 0.753 5.974 1.00 0.00 H new ATOM 0 HG2 GLU B 95 -18.026 0.795 8.333 1.00 0.00 H new ATOM 0 HG3 GLU B 95 -16.394 0.374 8.812 1.00 0.00 H new ATOM 1774 N LYS B 96 -17.498 -1.900 4.398 1.00 0.00 N ATOM 1775 CA LYS B 96 -17.226 -2.412 3.062 1.00 0.00 C ATOM 1776 C LYS B 96 -16.890 -1.271 2.106 1.00 0.00 C ATOM 1777 O LYS B 96 -16.056 -1.420 1.212 1.00 0.00 O ATOM 1778 CB LYS B 96 -18.427 -3.201 2.532 1.00 0.00 C ATOM 1779 CG LYS B 96 -18.612 -4.564 3.188 1.00 0.00 C ATOM 1780 CD LYS B 96 -19.043 -4.445 4.643 1.00 0.00 C ATOM 1781 CE LYS B 96 -20.419 -3.813 4.771 1.00 0.00 C ATOM 1782 NZ LYS B 96 -21.464 -4.609 4.069 1.00 0.00 N ATOM 0 H LYS B 96 -18.472 -1.644 4.562 1.00 0.00 H new ATOM 0 HA LYS B 96 -16.367 -3.080 3.125 1.00 0.00 H new ATOM 0 HB2 LYS B 96 -19.331 -2.611 2.683 1.00 0.00 H new ATOM 0 HB3 LYS B 96 -18.312 -3.339 1.457 1.00 0.00 H new ATOM 0 HG2 LYS B 96 -19.358 -5.134 2.635 1.00 0.00 H new ATOM 0 HG3 LYS B 96 -17.678 -5.123 3.132 1.00 0.00 H new ATOM 0 HD2 LYS B 96 -19.052 -5.434 5.102 1.00 0.00 H new ATOM 0 HD3 LYS B 96 -18.315 -3.846 5.191 1.00 0.00 H new ATOM 0 HE2 LYS B 96 -20.680 -3.722 5.825 1.00 0.00 H new ATOM 0 HE3 LYS B 96 -20.394 -2.804 4.360 1.00 0.00 H new ATOM 0 HZ1 LYS B 96 -22.406 -4.299 4.383 1.00 0.00 H new ATOM 0 HZ2 LYS B 96 -21.377 -4.467 3.042 1.00 0.00 H new ATOM 0 HZ3 LYS B 96 -21.340 -5.617 4.291 1.00 0.00 H new ATOM 1796 N ASP B 97 -17.545 -0.132 2.304 1.00 0.00 N ATOM 1797 CA ASP B 97 -17.321 1.041 1.466 1.00 0.00 C ATOM 1798 C ASP B 97 -18.010 2.268 2.054 1.00 0.00 C ATOM 1799 O ASP B 97 -19.225 2.427 1.926 1.00 0.00 O ATOM 1800 CB ASP B 97 -17.831 0.787 0.046 1.00 0.00 C ATOM 1801 CG ASP B 97 -17.605 1.971 -0.872 1.00 0.00 C ATOM 1802 OD1 ASP B 97 -16.540 2.025 -1.525 1.00 0.00 O ATOM 1803 OD2 ASP B 97 -18.494 2.848 -0.941 1.00 0.00 O ATOM 0 H ASP B 97 -18.238 0.004 3.040 1.00 0.00 H new ATOM 0 HA ASP B 97 -16.248 1.230 1.430 1.00 0.00 H new ATOM 0 HB2 ASP B 97 -17.329 -0.089 -0.366 1.00 0.00 H new ATOM 0 HB3 ASP B 97 -18.896 0.557 0.082 1.00 0.00 H new ATOM 1808 N ALA B 98 -17.232 3.130 2.699 1.00 0.00 N ATOM 1809 CA ALA B 98 -17.771 4.340 3.305 1.00 0.00 C ATOM 1810 C ALA B 98 -16.720 5.444 3.356 1.00 0.00 C ATOM 1811 O ALA B 98 -15.529 5.174 3.519 1.00 0.00 O ATOM 1812 CB ALA B 98 -18.292 4.044 4.703 1.00 0.00 C ATOM 0 H ALA B 98 -16.225 3.012 2.815 1.00 0.00 H new ATOM 0 HA ALA B 98 -18.598 4.688 2.686 1.00 0.00 H new ATOM 0 HB1 ALA B 98 -18.692 4.958 5.143 1.00 0.00 H new ATOM 0 HB2 ALA B 98 -19.080 3.293 4.646 1.00 0.00 H new ATOM 0 HB3 ALA B 98 -17.478 3.669 5.323 1.00 0.00 H new ATOM 1818 N GLU B 99 -17.168 6.688 3.210 1.00 0.00 N ATOM 1819 CA GLU B 99 -16.270 7.835 3.237 1.00 0.00 C ATOM 1820 C GLU B 99 -15.475 7.878 4.542 1.00 0.00 C ATOM 1821 O GLU B 99 -16.038 8.112 5.612 1.00 0.00 O ATOM 1822 CB GLU B 99 -17.059 9.132 3.059 1.00 0.00 C ATOM 1823 CG GLU B 99 -17.541 9.346 1.638 1.00 0.00 C ATOM 1824 CD GLU B 99 -18.164 10.714 1.433 1.00 0.00 C ATOM 1825 OE1 GLU B 99 -19.395 10.840 1.617 1.00 0.00 O ATOM 1826 OE2 GLU B 99 -17.424 11.659 1.088 1.00 0.00 O ATOM 0 H GLU B 99 -18.150 6.926 3.072 1.00 0.00 H new ATOM 0 HA GLU B 99 -15.566 7.732 2.411 1.00 0.00 H new ATOM 0 HB2 GLU B 99 -17.918 9.122 3.730 1.00 0.00 H new ATOM 0 HB3 GLU B 99 -16.433 9.974 3.355 1.00 0.00 H new ATOM 0 HG2 GLU B 99 -16.702 9.226 0.952 1.00 0.00 H new ATOM 0 HG3 GLU B 99 -18.271 8.577 1.386 1.00 0.00 H new ATOM 1833 N PRO B 100 -14.152 7.654 4.466 1.00 0.00 N ATOM 1834 CA PRO B 100 -13.273 7.662 5.633 1.00 0.00 C ATOM 1835 C PRO B 100 -12.849 9.073 6.025 1.00 0.00 C ATOM 1836 O PRO B 100 -12.986 10.012 5.240 1.00 0.00 O ATOM 1837 CB PRO B 100 -12.052 6.845 5.174 1.00 0.00 C ATOM 1838 CG PRO B 100 -12.310 6.461 3.745 1.00 0.00 C ATOM 1839 CD PRO B 100 -13.397 7.369 3.247 1.00 0.00 C ATOM 0 HA PRO B 100 -13.766 7.253 6.515 1.00 0.00 H new ATOM 0 HB2 PRO B 100 -11.138 7.432 5.259 1.00 0.00 H new ATOM 0 HB3 PRO B 100 -11.921 5.960 5.796 1.00 0.00 H new ATOM 0 HG2 PRO B 100 -11.407 6.572 3.145 1.00 0.00 H new ATOM 0 HG3 PRO B 100 -12.614 5.417 3.673 1.00 0.00 H new ATOM 0 HD2 PRO B 100 -12.994 8.276 2.797 1.00 0.00 H new ATOM 0 HD3 PRO B 100 -14.015 6.886 2.490 1.00 0.00 H new ATOM 1847 N ALA B 101 -12.337 9.218 7.243 1.00 0.00 N ATOM 1848 CA ALA B 101 -11.891 10.518 7.734 1.00 0.00 C ATOM 1849 C ALA B 101 -10.581 10.921 7.073 1.00 0.00 C ATOM 1850 O ALA B 101 -10.538 11.854 6.269 1.00 0.00 O ATOM 1851 CB ALA B 101 -11.736 10.487 9.248 1.00 0.00 C ATOM 0 H ALA B 101 -12.221 8.453 7.908 1.00 0.00 H new ATOM 0 HA ALA B 101 -12.646 11.261 7.477 1.00 0.00 H new ATOM 0 HB1 ALA B 101 -11.403 11.463 9.600 1.00 0.00 H new ATOM 0 HB2 ALA B 101 -12.694 10.244 9.707 1.00 0.00 H new ATOM 0 HB3 ALA B 101 -11.000 9.732 9.523 1.00 0.00 H new ATOM 1857 N GLU B 102 -9.519 10.212 7.421 1.00 0.00 N ATOM 1858 CA GLU B 102 -8.202 10.478 6.861 1.00 0.00 C ATOM 1859 C GLU B 102 -7.970 9.656 5.604 1.00 0.00 C ATOM 1860 O GLU B 102 -8.906 9.112 5.018 1.00 0.00 O ATOM 1861 CB GLU B 102 -7.110 10.159 7.882 1.00 0.00 C ATOM 1862 CG GLU B 102 -6.512 11.386 8.538 1.00 0.00 C ATOM 1863 CD GLU B 102 -6.069 12.436 7.535 1.00 0.00 C ATOM 1864 OE1 GLU B 102 -6.871 13.345 7.235 1.00 0.00 O ATOM 1865 OE2 GLU B 102 -4.920 12.346 7.053 1.00 0.00 O ATOM 0 H GLU B 102 -9.543 9.444 8.092 1.00 0.00 H new ATOM 0 HA GLU B 102 -8.159 11.537 6.605 1.00 0.00 H new ATOM 0 HB2 GLU B 102 -7.525 9.511 8.654 1.00 0.00 H new ATOM 0 HB3 GLU B 102 -6.316 9.599 7.388 1.00 0.00 H new ATOM 0 HG2 GLU B 102 -7.246 11.824 9.215 1.00 0.00 H new ATOM 0 HG3 GLU B 102 -5.657 11.087 9.145 1.00 0.00 H new ATOM 1872 N SER B 103 -6.709 9.573 5.200 1.00 0.00 N ATOM 1873 CA SER B 103 -6.330 8.817 4.010 1.00 0.00 C ATOM 1874 C SER B 103 -4.817 8.803 3.829 1.00 0.00 C ATOM 1875 O SER B 103 -4.096 9.568 4.470 1.00 0.00 O ATOM 1876 CB SER B 103 -6.996 9.408 2.766 1.00 0.00 C ATOM 1877 OG SER B 103 -6.610 10.757 2.571 1.00 0.00 O ATOM 0 H SER B 103 -5.928 10.021 5.680 1.00 0.00 H new ATOM 0 HA SER B 103 -6.672 7.791 4.144 1.00 0.00 H new ATOM 0 HB2 SER B 103 -6.724 8.819 1.890 1.00 0.00 H new ATOM 0 HB3 SER B 103 -8.080 9.348 2.867 1.00 0.00 H new ATOM 0 HG SER B 103 -7.048 11.110 1.769 1.00 0.00 H new ATOM 1883 N PHE B 104 -4.345 7.926 2.949 1.00 0.00 N ATOM 1884 CA PHE B 104 -2.917 7.804 2.681 1.00 0.00 C ATOM 1885 C PHE B 104 -2.674 7.063 1.369 1.00 0.00 C ATOM 1886 O PHE B 104 -3.468 6.208 0.975 1.00 0.00 O ATOM 1887 CB PHE B 104 -2.228 7.072 3.836 1.00 0.00 C ATOM 1888 CG PHE B 104 -0.730 7.161 3.804 1.00 0.00 C ATOM 1889 CD1 PHE B 104 0.027 6.122 3.291 1.00 0.00 C ATOM 1890 CD2 PHE B 104 -0.081 8.281 4.294 1.00 0.00 C ATOM 1891 CE1 PHE B 104 1.404 6.197 3.265 1.00 0.00 C ATOM 1892 CE2 PHE B 104 1.298 8.364 4.271 1.00 0.00 C ATOM 1893 CZ PHE B 104 2.042 7.322 3.756 1.00 0.00 C ATOM 0 H PHE B 104 -4.931 7.289 2.409 1.00 0.00 H new ATOM 0 HA PHE B 104 -2.496 8.805 2.592 1.00 0.00 H new ATOM 0 HB2 PHE B 104 -2.587 7.483 4.780 1.00 0.00 H new ATOM 0 HB3 PHE B 104 -2.521 6.022 3.814 1.00 0.00 H new ATOM 0 HD1 PHE B 104 -0.467 5.242 2.906 1.00 0.00 H new ATOM 0 HD2 PHE B 104 -0.659 9.099 4.699 1.00 0.00 H new ATOM 0 HE1 PHE B 104 1.983 5.379 2.862 1.00 0.00 H new ATOM 0 HE2 PHE B 104 1.793 9.243 4.656 1.00 0.00 H new ATOM 0 HZ PHE B 104 3.120 7.385 3.736 1.00 0.00 H new ATOM 1903 N SER B 105 -1.577 7.394 0.694 1.00 0.00 N ATOM 1904 CA SER B 105 -1.239 6.756 -0.575 1.00 0.00 C ATOM 1905 C SER B 105 0.192 7.084 -0.991 1.00 0.00 C ATOM 1906 O SER B 105 0.661 8.208 -0.807 1.00 0.00 O ATOM 1907 CB SER B 105 -2.214 7.200 -1.669 1.00 0.00 C ATOM 1908 OG SER B 105 -2.174 8.606 -1.847 1.00 0.00 O ATOM 0 H SER B 105 -0.908 8.099 1.004 1.00 0.00 H new ATOM 0 HA SER B 105 -1.319 5.677 -0.440 1.00 0.00 H new ATOM 0 HB2 SER B 105 -1.964 6.704 -2.607 1.00 0.00 H new ATOM 0 HB3 SER B 105 -3.226 6.892 -1.406 1.00 0.00 H new ATOM 0 HG SER B 105 -2.804 8.865 -2.552 1.00 0.00 H new ATOM 1914 N CYS B 106 0.880 6.096 -1.559 1.00 0.00 N ATOM 1915 CA CYS B 106 2.258 6.277 -2.004 1.00 0.00 C ATOM 1916 C CYS B 106 2.568 5.390 -3.206 1.00 0.00 C ATOM 1917 O CYS B 106 2.236 4.203 -3.219 1.00 0.00 O ATOM 1918 CB CYS B 106 3.231 5.971 -0.865 1.00 0.00 C ATOM 1919 SG CYS B 106 3.137 7.145 0.526 1.00 0.00 S ATOM 0 H CYS B 106 0.505 5.162 -1.722 1.00 0.00 H new ATOM 0 HA CYS B 106 2.378 7.318 -2.305 1.00 0.00 H new ATOM 0 HB2 CYS B 106 3.034 4.966 -0.493 1.00 0.00 H new ATOM 0 HB3 CYS B 106 4.247 5.971 -1.259 1.00 0.00 H new ATOM 1924 N ALA B 107 3.212 5.976 -4.212 1.00 0.00 N ATOM 1925 CA ALA B 107 3.571 5.246 -5.426 1.00 0.00 C ATOM 1926 C ALA B 107 4.874 4.478 -5.243 1.00 0.00 C ATOM 1927 O ALA B 107 5.771 4.915 -4.522 1.00 0.00 O ATOM 1928 CB ALA B 107 3.679 6.204 -6.602 1.00 0.00 C ATOM 0 H ALA B 107 3.497 6.956 -4.211 1.00 0.00 H new ATOM 0 HA ALA B 107 2.783 4.522 -5.632 1.00 0.00 H new ATOM 0 HB1 ALA B 107 3.947 5.648 -7.501 1.00 0.00 H new ATOM 0 HB2 ALA B 107 2.721 6.702 -6.755 1.00 0.00 H new ATOM 0 HB3 ALA B 107 4.446 6.950 -6.394 1.00 0.00 H new ATOM 1934 N ILE B 108 4.965 3.332 -5.909 1.00 0.00 N ATOM 1935 CA ILE B 108 6.150 2.483 -5.830 1.00 0.00 C ATOM 1936 C ILE B 108 6.409 1.787 -7.163 1.00 0.00 C ATOM 1937 O ILE B 108 5.485 1.284 -7.802 1.00 0.00 O ATOM 1938 CB ILE B 108 6.006 1.414 -4.725 1.00 0.00 C ATOM 1939 CG1 ILE B 108 5.857 2.083 -3.354 1.00 0.00 C ATOM 1940 CG2 ILE B 108 7.202 0.467 -4.735 1.00 0.00 C ATOM 1941 CD1 ILE B 108 5.630 1.106 -2.219 1.00 0.00 C ATOM 0 H ILE B 108 4.228 2.967 -6.513 1.00 0.00 H new ATOM 0 HA ILE B 108 6.992 3.132 -5.587 1.00 0.00 H new ATOM 0 HB ILE B 108 5.108 0.829 -4.923 1.00 0.00 H new ATOM 0 HG12 ILE B 108 6.754 2.666 -3.145 1.00 0.00 H new ATOM 0 HG13 ILE B 108 5.023 2.783 -3.391 1.00 0.00 H new ATOM 0 HG21 ILE B 108 7.082 -0.279 -3.949 1.00 0.00 H new ATOM 0 HG22 ILE B 108 7.263 -0.032 -5.702 1.00 0.00 H new ATOM 0 HG23 ILE B 108 8.116 1.034 -4.560 1.00 0.00 H new ATOM 0 HD11 ILE B 108 5.534 1.653 -1.281 1.00 0.00 H new ATOM 0 HD12 ILE B 108 4.717 0.540 -2.403 1.00 0.00 H new ATOM 0 HD13 ILE B 108 6.475 0.421 -2.154 1.00 0.00 H new ATOM 1953 N GLN B 109 7.670 1.764 -7.577 1.00 0.00 N ATOM 1954 CA GLN B 109 8.054 1.128 -8.831 1.00 0.00 C ATOM 1955 C GLN B 109 9.241 0.198 -8.620 1.00 0.00 C ATOM 1956 O GLN B 109 10.094 0.454 -7.770 1.00 0.00 O ATOM 1957 CB GLN B 109 8.407 2.190 -9.877 1.00 0.00 C ATOM 1958 CG GLN B 109 7.205 2.970 -10.387 1.00 0.00 C ATOM 1959 CD GLN B 109 6.547 2.314 -11.588 1.00 0.00 C ATOM 1960 OE1 GLN B 109 5.953 2.990 -12.428 1.00 0.00 O ATOM 1961 NE2 GLN B 109 6.655 0.993 -11.680 1.00 0.00 N ATOM 0 H GLN B 109 8.446 2.180 -7.061 1.00 0.00 H new ATOM 0 HA GLN B 109 7.209 0.540 -9.189 1.00 0.00 H new ATOM 0 HB2 GLN B 109 9.125 2.887 -9.446 1.00 0.00 H new ATOM 0 HB3 GLN B 109 8.900 1.707 -10.721 1.00 0.00 H new ATOM 0 HG2 GLN B 109 6.473 3.067 -9.585 1.00 0.00 H new ATOM 0 HG3 GLN B 109 7.519 3.979 -10.656 1.00 0.00 H new ATOM 0 HE21 GLN B 109 7.156 0.471 -10.961 1.00 0.00 H new ATOM 0 HE22 GLN B 109 6.237 0.501 -12.469 1.00 0.00 H new ATOM 1970 N VAL B 110 9.286 -0.891 -9.378 1.00 0.00 N ATOM 1971 CA VAL B 110 10.383 -1.846 -9.268 1.00 0.00 C ATOM 1972 C VAL B 110 10.810 -2.351 -10.639 1.00 0.00 C ATOM 1973 O VAL B 110 9.999 -2.437 -11.562 1.00 0.00 O ATOM 1974 CB VAL B 110 10.014 -3.060 -8.394 1.00 0.00 C ATOM 1975 CG1 VAL B 110 11.266 -3.827 -7.995 1.00 0.00 C ATOM 1976 CG2 VAL B 110 9.245 -2.624 -7.160 1.00 0.00 C ATOM 0 H VAL B 110 8.580 -1.135 -10.072 1.00 0.00 H new ATOM 0 HA VAL B 110 11.205 -1.308 -8.795 1.00 0.00 H new ATOM 0 HB VAL B 110 9.373 -3.719 -8.980 1.00 0.00 H new ATOM 0 HG11 VAL B 110 10.988 -4.681 -7.378 1.00 0.00 H new ATOM 0 HG12 VAL B 110 11.779 -4.178 -8.891 1.00 0.00 H new ATOM 0 HG13 VAL B 110 11.929 -3.172 -7.430 1.00 0.00 H new ATOM 0 HG21 VAL B 110 8.996 -3.498 -6.559 1.00 0.00 H new ATOM 0 HG22 VAL B 110 9.858 -1.942 -6.571 1.00 0.00 H new ATOM 0 HG23 VAL B 110 8.328 -2.118 -7.463 1.00 0.00 H new ATOM 1986 N ARG B 111 12.088 -2.688 -10.755 1.00 0.00 N ATOM 1987 CA ARG B 111 12.639 -3.192 -12.009 1.00 0.00 C ATOM 1988 C ARG B 111 14.099 -3.598 -11.836 1.00 0.00 C ATOM 1989 O ARG B 111 14.980 -2.728 -12.003 1.00 0.00 O ATOM 1990 CB ARG B 111 12.519 -2.138 -13.107 1.00 0.00 C ATOM 1991 CG ARG B 111 12.811 -2.676 -14.486 1.00 0.00 C ATOM 1992 CD ARG B 111 11.715 -3.614 -14.934 1.00 0.00 C ATOM 1993 NE ARG B 111 11.982 -4.193 -16.248 1.00 0.00 N ATOM 1994 CZ ARG B 111 11.150 -5.024 -16.870 1.00 0.00 C ATOM 1995 NH1 ARG B 111 10.004 -5.371 -16.300 1.00 0.00 N ATOM 1996 NH2 ARG B 111 11.466 -5.509 -18.063 1.00 0.00 N ATOM 1997 OXT ARG B 111 14.351 -4.784 -11.533 1.00 0.00 O ATOM 0 H ARG B 111 12.765 -2.622 -9.995 1.00 0.00 H new ATOM 0 HA ARG B 111 12.066 -4.072 -12.299 1.00 0.00 H new ATOM 0 HB2 ARG B 111 11.512 -1.722 -13.093 1.00 0.00 H new ATOM 0 HB3 ARG B 111 13.205 -1.319 -12.891 1.00 0.00 H new ATOM 0 HG2 ARG B 111 12.902 -1.851 -15.192 1.00 0.00 H new ATOM 0 HG3 ARG B 111 13.767 -3.200 -14.483 1.00 0.00 H new ATOM 0 HD2 ARG B 111 11.604 -4.415 -14.203 1.00 0.00 H new ATOM 0 HD3 ARG B 111 10.768 -3.075 -14.963 1.00 0.00 H new ATOM 0 HE ARG B 111 12.855 -3.947 -16.715 1.00 0.00 H new ATOM 0 HH11 ARG B 111 9.758 -5.000 -15.382 1.00 0.00 H new ATOM 0 HH12 ARG B 111 9.368 -6.008 -16.780 1.00 0.00 H new ATOM 0 HH21 ARG B 111 12.347 -5.245 -18.504 1.00 0.00 H new ATOM 0 HH22 ARG B 111 10.828 -6.146 -18.540 1.00 0.00 H new