USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 706 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: A 37 CYS SG : rot -30:sc= 0.0718 USER MOD Set 1.2: A 106 CYS SG : rot -29:sc= 0.0365 USER MOD Set 2.1: A 41 MET CE :methyl -168:sc= -0.41 (180deg=-1.16) USER MOD Set 2.2: A 69 SER OG : rot 180:sc= 0.0431 USER MOD Set 3.1: A 26 ASN :FLIP amide:sc= -0.568 F(o=-1.2,f=-0.5) USER MOD Set 3.2: A 46 LYS NZ :NH3+ -141:sc= 0.0648 (180deg=0) USER MOD Single : A 29 SER OG : rot 59:sc= 0.107 USER MOD Single : A 31 MET CE :methyl 150:sc= -0.0498 (180deg=-0.375) USER MOD Single : A 42 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.0462) USER MOD Single : A 44 GLN : amide:sc= -0.791 K(o=-0.79,f=-3.3!) USER MOD Single : A 48 ASN : amide:sc= -1.88 K(o=-1.9,f=-4.2!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0.0117 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -85:sc= 0.0502 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= -0.0236 (180deg=-0.0236) USER MOD Single : A 81 SER OG : rot 180:sc= 0.146 USER MOD Single : A 86 GLN : amide:sc= 0.74 K(o=0.74,f=0) USER MOD Single : A 89 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.047) USER MOD Single : A 90 ASN : amide:sc= -1.01 X(o=-1,f=-0.92) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 HIS : no HD1:sc= -0.0413 K(o=-0.041,f=-0.57) USER MOD Single : A 107 SER OG : rot -69:sc= 0.924 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 TYR OH : rot 107:sc= 0.132 USER MOD Single : A 122 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.852) USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.342) USER MOD ----------------------------------------------------------------- ATOM 384 N ASN A 26 25.953 20.753 -5.120 1.00 0.00 N ATOM 385 CA ASN A 26 25.129 21.756 -4.455 1.00 0.00 C ATOM 386 C ASN A 26 23.685 21.685 -4.943 1.00 0.00 C ATOM 387 O ASN A 26 22.943 22.664 -4.861 1.00 0.00 O ATOM 388 CB ASN A 26 25.695 23.156 -4.702 1.00 0.00 C ATOM 389 CG ASN A 26 26.972 23.127 -5.520 1.00 0.00 C ATOM 390 OD1 ASN A 26 26.918 23.695 -6.719 1.00 0.00 O flip ATOM 391 ND2 ASN A 26 27.993 22.601 -5.079 1.00 0.00 N flip ATOM 0 HA ASN A 26 25.142 21.550 -3.385 1.00 0.00 H new ATOM 0 HB2 ASN A 26 24.949 23.760 -5.219 1.00 0.00 H new ATOM 0 HB3 ASN A 26 25.890 23.640 -3.745 1.00 0.00 H new ATOM 0 HD21 ASN A 26 27.988 22.176 -4.152 1.00 0.00 H new ATOM 0 HD22 ASN A 26 28.844 22.590 -5.641 1.00 0.00 H new ATOM 398 N VAL A 27 23.294 20.521 -5.450 1.00 0.00 N ATOM 399 CA VAL A 27 21.939 20.321 -5.950 1.00 0.00 C ATOM 400 C VAL A 27 21.086 19.564 -4.938 1.00 0.00 C ATOM 401 O VAL A 27 21.495 18.525 -4.420 1.00 0.00 O ATOM 402 CB VAL A 27 21.941 19.550 -7.283 1.00 0.00 C ATOM 403 CG1 VAL A 27 20.521 19.192 -7.695 1.00 0.00 C ATOM 404 CG2 VAL A 27 22.630 20.363 -8.368 1.00 0.00 C ATOM 0 H VAL A 27 23.896 19.701 -5.526 1.00 0.00 H new ATOM 0 HA VAL A 27 21.512 21.311 -6.112 1.00 0.00 H new ATOM 0 HB VAL A 27 22.499 18.624 -7.146 1.00 0.00 H new ATOM 0 HG11 VAL A 27 20.542 18.648 -8.639 1.00 0.00 H new ATOM 0 HG12 VAL A 27 20.066 18.568 -6.926 1.00 0.00 H new ATOM 0 HG13 VAL A 27 19.936 20.104 -7.815 1.00 0.00 H new ATOM 0 HG21 VAL A 27 22.622 19.803 -9.303 1.00 0.00 H new ATOM 0 HG22 VAL A 27 22.102 21.307 -8.506 1.00 0.00 H new ATOM 0 HG23 VAL A 27 23.660 20.563 -8.074 1.00 0.00 H new ATOM 414 N GLY A 28 19.898 20.091 -4.662 1.00 0.00 N ATOM 415 CA GLY A 28 19.005 19.452 -3.713 1.00 0.00 C ATOM 416 C GLY A 28 17.887 18.687 -4.393 1.00 0.00 C ATOM 417 O GLY A 28 17.162 19.239 -5.221 1.00 0.00 O ATOM 0 H GLY A 28 19.537 20.949 -5.079 1.00 0.00 H new ATOM 0 HA2 GLY A 28 19.577 18.770 -3.083 1.00 0.00 H new ATOM 0 HA3 GLY A 28 18.576 20.209 -3.056 1.00 0.00 H new ATOM 421 N SER A 29 17.748 17.411 -4.045 1.00 0.00 N ATOM 422 CA SER A 29 16.714 16.567 -4.633 1.00 0.00 C ATOM 423 C SER A 29 15.610 16.277 -3.621 1.00 0.00 C ATOM 424 O SER A 29 15.877 15.850 -2.499 1.00 0.00 O ATOM 425 CB SER A 29 17.321 15.255 -5.133 1.00 0.00 C ATOM 426 OG SER A 29 18.542 14.973 -4.471 1.00 0.00 O ATOM 0 H SER A 29 18.338 16.940 -3.359 1.00 0.00 H new ATOM 0 HA SER A 29 16.278 17.102 -5.477 1.00 0.00 H new ATOM 0 HB2 SER A 29 16.617 14.439 -4.968 1.00 0.00 H new ATOM 0 HB3 SER A 29 17.492 15.316 -6.208 1.00 0.00 H new ATOM 0 HG SER A 29 18.383 14.907 -3.506 1.00 0.00 H new ATOM 432 N GLY A 30 14.366 16.513 -4.027 1.00 0.00 N ATOM 433 CA GLY A 30 13.239 16.272 -3.145 1.00 0.00 C ATOM 434 C GLY A 30 12.174 15.406 -3.789 1.00 0.00 C ATOM 435 O GLY A 30 11.514 15.826 -4.738 1.00 0.00 O ATOM 0 H GLY A 30 14.119 16.867 -4.951 1.00 0.00 H new ATOM 0 HA2 GLY A 30 13.592 15.791 -2.233 1.00 0.00 H new ATOM 0 HA3 GLY A 30 12.800 17.226 -2.853 1.00 0.00 H new ATOM 439 N MET A 31 12.008 14.194 -3.271 1.00 0.00 N ATOM 440 CA MET A 31 11.016 13.266 -3.802 1.00 0.00 C ATOM 441 C MET A 31 10.019 12.858 -2.722 1.00 0.00 C ATOM 442 O MET A 31 10.406 12.377 -1.657 1.00 0.00 O ATOM 443 CB MET A 31 11.702 12.024 -4.375 1.00 0.00 C ATOM 444 CG MET A 31 10.732 11.007 -4.955 1.00 0.00 C ATOM 445 SD MET A 31 10.620 9.508 -3.959 1.00 0.00 S ATOM 446 CE MET A 31 8.843 9.319 -3.832 1.00 0.00 C ATOM 0 H MET A 31 12.547 13.831 -2.485 1.00 0.00 H new ATOM 0 HA MET A 31 10.473 13.772 -4.600 1.00 0.00 H new ATOM 0 HB2 MET A 31 12.401 12.331 -5.153 1.00 0.00 H new ATOM 0 HB3 MET A 31 12.288 11.548 -3.589 1.00 0.00 H new ATOM 0 HG2 MET A 31 9.744 11.459 -5.037 1.00 0.00 H new ATOM 0 HG3 MET A 31 11.047 10.745 -5.965 1.00 0.00 H new ATOM 0 HE1 MET A 31 8.595 8.261 -3.746 1.00 0.00 H new ATOM 0 HE2 MET A 31 8.483 9.849 -2.950 1.00 0.00 H new ATOM 0 HE3 MET A 31 8.369 9.731 -4.722 1.00 0.00 H new ATOM 456 N VAL A 32 8.735 13.054 -3.003 1.00 0.00 N ATOM 457 CA VAL A 32 7.683 12.706 -2.055 1.00 0.00 C ATOM 458 C VAL A 32 6.523 12.006 -2.754 1.00 0.00 C ATOM 459 O VAL A 32 6.237 12.272 -3.920 1.00 0.00 O ATOM 460 CB VAL A 32 7.151 13.953 -1.324 1.00 0.00 C ATOM 461 CG1 VAL A 32 8.283 14.683 -0.618 1.00 0.00 C ATOM 462 CG2 VAL A 32 6.436 14.877 -2.299 1.00 0.00 C ATOM 0 H VAL A 32 8.398 13.452 -3.880 1.00 0.00 H new ATOM 0 HA VAL A 32 8.126 12.028 -1.325 1.00 0.00 H new ATOM 0 HB VAL A 32 6.433 13.631 -0.570 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.887 15.561 -0.107 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.746 14.018 0.111 1.00 0.00 H new ATOM 0 HG13 VAL A 32 9.028 14.994 -1.350 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.066 15.753 -1.766 1.00 0.00 H new ATOM 0 HG22 VAL A 32 7.131 15.192 -3.077 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.598 14.348 -2.753 1.00 0.00 H new ATOM 472 N GLY A 33 5.857 11.110 -2.031 1.00 0.00 N ATOM 473 CA GLY A 33 4.735 10.386 -2.598 1.00 0.00 C ATOM 474 C GLY A 33 3.773 9.886 -1.539 1.00 0.00 C ATOM 475 O GLY A 33 4.022 10.037 -0.344 1.00 0.00 O ATOM 0 H GLY A 33 6.075 10.873 -1.063 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.201 11.035 -3.292 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.107 9.540 -3.175 1.00 0.00 H new ATOM 479 N ALA A 34 2.669 9.290 -1.978 1.00 0.00 N ATOM 480 CA ALA A 34 1.667 8.766 -1.059 1.00 0.00 C ATOM 481 C ALA A 34 0.976 7.538 -1.643 1.00 0.00 C ATOM 482 O ALA A 34 0.837 7.393 -2.857 1.00 0.00 O ATOM 483 CB ALA A 34 0.643 9.841 -0.726 1.00 0.00 C ATOM 0 H ALA A 34 2.446 9.158 -2.965 1.00 0.00 H new ATOM 0 HA ALA A 34 2.173 8.465 -0.142 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.100 9.436 -0.039 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.144 10.689 -0.260 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.150 10.169 -1.641 1.00 0.00 H new ATOM 489 N PRO A 35 0.532 6.632 -0.759 1.00 0.00 N ATOM 490 CA PRO A 35 -0.152 5.400 -1.164 1.00 0.00 C ATOM 491 C PRO A 35 -1.541 5.669 -1.733 1.00 0.00 C ATOM 492 O PRO A 35 -1.891 5.167 -2.801 1.00 0.00 O ATOM 493 CB PRO A 35 -0.254 4.606 0.141 1.00 0.00 C ATOM 494 CG PRO A 35 -0.220 5.637 1.216 1.00 0.00 C ATOM 495 CD PRO A 35 0.664 6.740 0.704 1.00 0.00 C ATOM 0 HA PRO A 35 0.384 4.878 -1.956 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -1.175 4.024 0.179 1.00 0.00 H new ATOM 0 HB3 PRO A 35 0.572 3.902 0.242 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -1.222 6.008 1.432 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.173 5.221 2.144 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.339 7.716 1.066 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.697 6.609 1.025 1.00 0.00 H new ATOM 503 N ALA A 36 -2.327 6.463 -1.015 1.00 0.00 N ATOM 504 CA ALA A 36 -3.676 6.800 -1.450 1.00 0.00 C ATOM 505 C ALA A 36 -3.653 7.895 -2.511 1.00 0.00 C ATOM 506 O ALA A 36 -4.570 8.002 -3.327 1.00 0.00 O ATOM 507 CB ALA A 36 -4.522 7.232 -0.262 1.00 0.00 C ATOM 0 H ALA A 36 -2.052 6.885 -0.128 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.121 5.909 -1.894 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.527 7.481 -0.602 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.575 6.419 0.462 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.071 8.107 0.207 1.00 0.00 H new ATOM 513 N CYS A 37 -2.601 8.706 -2.495 1.00 0.00 N ATOM 514 CA CYS A 37 -2.460 9.795 -3.456 1.00 0.00 C ATOM 515 C CYS A 37 -2.073 9.260 -4.830 1.00 0.00 C ATOM 516 O CYS A 37 -2.396 9.860 -5.855 1.00 0.00 O ATOM 517 CB CYS A 37 -1.412 10.797 -2.971 1.00 0.00 C ATOM 518 SG CYS A 37 -1.404 12.357 -3.885 1.00 0.00 S ATOM 0 H CYS A 37 -1.833 8.630 -1.828 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.422 10.300 -3.541 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.587 11.007 -1.916 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.425 10.339 -3.046 1.00 0.00 H new ATOM 0 HG CYS A 37 -1.787 12.145 -5.109 1.00 0.00 H new ATOM 524 N GLY A 38 -1.378 8.127 -4.845 1.00 0.00 N ATOM 525 CA GLY A 38 -0.956 7.531 -6.099 1.00 0.00 C ATOM 526 C GLY A 38 -0.242 8.519 -6.999 1.00 0.00 C ATOM 527 O GLY A 38 -0.631 8.713 -8.151 1.00 0.00 O ATOM 0 H GLY A 38 -1.099 7.611 -4.010 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.296 6.689 -5.893 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -1.827 7.133 -6.620 1.00 0.00 H new ATOM 531 N ALA A 39 0.805 9.146 -6.474 1.00 0.00 N ATOM 532 CA ALA A 39 1.575 10.120 -7.238 1.00 0.00 C ATOM 533 C ALA A 39 2.932 10.376 -6.591 1.00 0.00 C ATOM 534 O ALA A 39 3.207 9.897 -5.491 1.00 0.00 O ATOM 535 CB ALA A 39 0.798 11.421 -7.372 1.00 0.00 C ATOM 0 H ALA A 39 1.140 8.997 -5.522 1.00 0.00 H new ATOM 0 HA ALA A 39 1.747 9.709 -8.233 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.386 12.138 -7.945 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -0.144 11.231 -7.886 1.00 0.00 H new ATOM 0 HB3 ALA A 39 0.595 11.827 -6.381 1.00 0.00 H new ATOM 541 N VAL A 40 3.778 11.134 -7.281 1.00 0.00 N ATOM 542 CA VAL A 40 5.107 11.455 -6.774 1.00 0.00 C ATOM 543 C VAL A 40 5.554 12.836 -7.239 1.00 0.00 C ATOM 544 O VAL A 40 5.372 13.200 -8.400 1.00 0.00 O ATOM 545 CB VAL A 40 6.146 10.411 -7.224 1.00 0.00 C ATOM 546 CG1 VAL A 40 6.029 9.146 -6.388 1.00 0.00 C ATOM 547 CG2 VAL A 40 5.982 10.100 -8.704 1.00 0.00 C ATOM 0 H VAL A 40 3.566 11.538 -8.194 1.00 0.00 H new ATOM 0 HA VAL A 40 5.042 11.446 -5.686 1.00 0.00 H new ATOM 0 HB VAL A 40 7.142 10.826 -7.072 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.771 8.420 -6.721 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.201 9.386 -5.339 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.031 8.724 -6.505 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.724 9.361 -9.005 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.982 9.705 -8.884 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.122 11.012 -9.285 1.00 0.00 H new ATOM 557 N MET A 41 6.141 13.601 -6.324 1.00 0.00 N ATOM 558 CA MET A 41 6.617 14.942 -6.642 1.00 0.00 C ATOM 559 C MET A 41 8.142 14.988 -6.660 1.00 0.00 C ATOM 560 O MET A 41 8.787 14.942 -5.613 1.00 0.00 O ATOM 561 CB MET A 41 6.077 15.952 -5.627 1.00 0.00 C ATOM 562 CG MET A 41 5.028 16.890 -6.202 1.00 0.00 C ATOM 563 SD MET A 41 3.549 16.991 -5.176 1.00 0.00 S ATOM 564 CE MET A 41 2.858 18.547 -5.730 1.00 0.00 C ATOM 0 H MET A 41 6.298 13.315 -5.358 1.00 0.00 H new ATOM 0 HA MET A 41 6.251 15.204 -7.635 1.00 0.00 H new ATOM 0 HB2 MET A 41 5.647 15.412 -4.783 1.00 0.00 H new ATOM 0 HB3 MET A 41 6.906 16.543 -5.238 1.00 0.00 H new ATOM 0 HG2 MET A 41 5.458 17.886 -6.312 1.00 0.00 H new ATOM 0 HG3 MET A 41 4.751 16.551 -7.200 1.00 0.00 H new ATOM 0 HE1 MET A 41 2.064 18.855 -5.050 1.00 0.00 H new ATOM 0 HE2 MET A 41 3.639 19.307 -5.745 1.00 0.00 H new ATOM 0 HE3 MET A 41 2.450 18.427 -6.733 1.00 0.00 H new ATOM 574 N LYS A 42 8.712 15.079 -7.857 1.00 0.00 N ATOM 575 CA LYS A 42 10.161 15.132 -8.012 1.00 0.00 C ATOM 576 C LYS A 42 10.605 16.505 -8.507 1.00 0.00 C ATOM 577 O LYS A 42 10.221 16.938 -9.595 1.00 0.00 O ATOM 578 CB LYS A 42 10.630 14.050 -8.987 1.00 0.00 C ATOM 579 CG LYS A 42 10.155 12.655 -8.622 1.00 0.00 C ATOM 580 CD LYS A 42 11.173 11.598 -9.015 1.00 0.00 C ATOM 581 CE LYS A 42 12.396 11.638 -8.111 1.00 0.00 C ATOM 582 NZ LYS A 42 13.625 12.027 -8.856 1.00 0.00 N ATOM 0 H LYS A 42 8.192 15.118 -8.734 1.00 0.00 H new ATOM 0 HA LYS A 42 10.613 14.953 -7.036 1.00 0.00 H new ATOM 0 HB2 LYS A 42 10.274 14.296 -9.988 1.00 0.00 H new ATOM 0 HB3 LYS A 42 11.719 14.055 -9.026 1.00 0.00 H new ATOM 0 HG2 LYS A 42 9.970 12.602 -7.549 1.00 0.00 H new ATOM 0 HG3 LYS A 42 9.207 12.451 -9.119 1.00 0.00 H new ATOM 0 HD2 LYS A 42 10.713 10.611 -8.963 1.00 0.00 H new ATOM 0 HD3 LYS A 42 11.479 11.753 -10.050 1.00 0.00 H new ATOM 0 HE2 LYS A 42 12.224 12.345 -7.299 1.00 0.00 H new ATOM 0 HE3 LYS A 42 12.543 10.659 -7.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 14.349 12.354 -8.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 13.986 11.206 -9.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 13.399 12.793 -9.522 1.00 0.00 H new ATOM 596 N LEU A 43 11.417 17.184 -7.704 1.00 0.00 N ATOM 597 CA LEU A 43 11.915 18.508 -8.062 1.00 0.00 C ATOM 598 C LEU A 43 13.403 18.632 -7.752 1.00 0.00 C ATOM 599 O LEU A 43 13.913 17.976 -6.844 1.00 0.00 O ATOM 600 CB LEU A 43 11.134 19.588 -7.312 1.00 0.00 C ATOM 601 CG LEU A 43 9.827 20.045 -7.961 1.00 0.00 C ATOM 602 CD1 LEU A 43 8.785 18.939 -7.900 1.00 0.00 C ATOM 603 CD2 LEU A 43 9.308 21.306 -7.286 1.00 0.00 C ATOM 0 H LEU A 43 11.744 16.840 -6.801 1.00 0.00 H new ATOM 0 HA LEU A 43 11.774 18.645 -9.134 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.909 19.217 -6.312 1.00 0.00 H new ATOM 0 HB3 LEU A 43 11.780 20.458 -7.192 1.00 0.00 H new ATOM 0 HG LEU A 43 10.025 20.273 -9.008 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.862 19.283 -8.367 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.155 18.061 -8.430 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.591 18.679 -6.859 1.00 0.00 H new ATOM 0 HD21 LEU A 43 8.377 21.616 -7.761 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.127 21.105 -6.230 1.00 0.00 H new ATOM 0 HD23 LEU A 43 10.047 22.101 -7.383 1.00 0.00 H new ATOM 615 N GLN A 44 14.092 19.478 -8.510 1.00 0.00 N ATOM 616 CA GLN A 44 15.521 19.689 -8.314 1.00 0.00 C ATOM 617 C GLN A 44 15.832 21.170 -8.126 1.00 0.00 C ATOM 618 O GLN A 44 15.027 22.033 -8.477 1.00 0.00 O ATOM 619 CB GLN A 44 16.307 19.138 -9.505 1.00 0.00 C ATOM 620 CG GLN A 44 17.236 17.990 -9.142 1.00 0.00 C ATOM 621 CD GLN A 44 16.548 16.641 -9.207 1.00 0.00 C ATOM 622 OE1 GLN A 44 16.561 15.878 -8.240 1.00 0.00 O ATOM 623 NE2 GLN A 44 15.942 16.339 -10.349 1.00 0.00 N ATOM 0 H GLN A 44 13.684 20.028 -9.266 1.00 0.00 H new ATOM 0 HA GLN A 44 15.821 19.156 -7.412 1.00 0.00 H new ATOM 0 HB2 GLN A 44 15.605 18.800 -10.267 1.00 0.00 H new ATOM 0 HB3 GLN A 44 16.894 19.944 -9.947 1.00 0.00 H new ATOM 0 HG2 GLN A 44 18.090 17.991 -9.819 1.00 0.00 H new ATOM 0 HG3 GLN A 44 17.626 18.147 -8.136 1.00 0.00 H new ATOM 0 HE21 GLN A 44 15.956 17.001 -11.125 1.00 0.00 H new ATOM 0 HE22 GLN A 44 15.462 15.445 -10.451 1.00 0.00 H new ATOM 632 N ILE A 45 17.004 21.458 -7.570 1.00 0.00 N ATOM 633 CA ILE A 45 17.422 22.835 -7.336 1.00 0.00 C ATOM 634 C ILE A 45 18.939 22.968 -7.401 1.00 0.00 C ATOM 635 O ILE A 45 19.663 21.972 -7.373 1.00 0.00 O ATOM 636 CB ILE A 45 16.931 23.347 -5.969 1.00 0.00 C ATOM 637 CG1 ILE A 45 17.577 22.545 -4.838 1.00 0.00 C ATOM 638 CG2 ILE A 45 15.414 23.264 -5.886 1.00 0.00 C ATOM 639 CD1 ILE A 45 17.179 23.019 -3.457 1.00 0.00 C ATOM 0 H ILE A 45 17.681 20.756 -7.273 1.00 0.00 H new ATOM 0 HA ILE A 45 16.973 23.439 -8.124 1.00 0.00 H new ATOM 0 HB ILE A 45 17.224 24.391 -5.862 1.00 0.00 H new ATOM 0 HG12 ILE A 45 17.304 21.495 -4.946 1.00 0.00 H new ATOM 0 HG13 ILE A 45 18.661 22.604 -4.935 1.00 0.00 H new ATOM 0 HG21 ILE A 45 15.082 23.629 -4.914 1.00 0.00 H new ATOM 0 HG22 ILE A 45 14.973 23.875 -6.673 1.00 0.00 H new ATOM 0 HG23 ILE A 45 15.099 22.228 -6.011 1.00 0.00 H new ATOM 0 HD11 ILE A 45 17.674 22.405 -2.705 1.00 0.00 H new ATOM 0 HD12 ILE A 45 17.477 24.060 -3.330 1.00 0.00 H new ATOM 0 HD13 ILE A 45 16.099 22.934 -3.341 1.00 0.00 H new ATOM 651 N LYS A 46 19.416 24.205 -7.488 1.00 0.00 N ATOM 652 CA LYS A 46 20.848 24.471 -7.554 1.00 0.00 C ATOM 653 C LYS A 46 21.223 25.655 -6.668 1.00 0.00 C ATOM 654 O LYS A 46 20.887 26.800 -6.969 1.00 0.00 O ATOM 655 CB LYS A 46 21.269 24.749 -8.999 1.00 0.00 C ATOM 656 CG LYS A 46 22.431 23.890 -9.469 1.00 0.00 C ATOM 657 CD LYS A 46 23.675 24.127 -8.628 1.00 0.00 C ATOM 658 CE LYS A 46 24.737 23.071 -8.896 1.00 0.00 C ATOM 659 NZ LYS A 46 25.902 23.632 -9.635 1.00 0.00 N ATOM 0 H LYS A 46 18.831 25.040 -7.514 1.00 0.00 H new ATOM 0 HA LYS A 46 21.374 23.588 -7.192 1.00 0.00 H new ATOM 0 HB2 LYS A 46 20.415 24.582 -9.656 1.00 0.00 H new ATOM 0 HB3 LYS A 46 21.543 25.800 -9.093 1.00 0.00 H new ATOM 0 HG2 LYS A 46 22.151 22.838 -9.418 1.00 0.00 H new ATOM 0 HG3 LYS A 46 22.649 24.111 -10.514 1.00 0.00 H new ATOM 0 HD2 LYS A 46 24.080 25.115 -8.845 1.00 0.00 H new ATOM 0 HD3 LYS A 46 23.409 24.117 -7.571 1.00 0.00 H new ATOM 0 HE2 LYS A 46 25.076 22.648 -7.950 1.00 0.00 H new ATOM 0 HE3 LYS A 46 24.301 22.255 -9.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 26.235 22.939 -10.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 25.617 24.506 -10.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 26.669 23.842 -8.965 1.00 0.00 H new ATOM 673 N VAL A 47 21.922 25.371 -5.573 1.00 0.00 N ATOM 674 CA VAL A 47 22.345 26.412 -4.645 1.00 0.00 C ATOM 675 C VAL A 47 23.795 26.813 -4.892 1.00 0.00 C ATOM 676 O VAL A 47 24.611 25.997 -5.320 1.00 0.00 O ATOM 677 CB VAL A 47 22.193 25.955 -3.182 1.00 0.00 C ATOM 678 CG1 VAL A 47 22.445 27.115 -2.231 1.00 0.00 C ATOM 679 CG2 VAL A 47 20.814 25.356 -2.952 1.00 0.00 C ATOM 0 H VAL A 47 22.207 24.428 -5.308 1.00 0.00 H new ATOM 0 HA VAL A 47 21.699 27.272 -4.819 1.00 0.00 H new ATOM 0 HB VAL A 47 22.937 25.184 -2.981 1.00 0.00 H new ATOM 0 HG11 VAL A 47 22.333 26.773 -1.202 1.00 0.00 H new ATOM 0 HG12 VAL A 47 23.456 27.494 -2.379 1.00 0.00 H new ATOM 0 HG13 VAL A 47 21.727 27.910 -2.429 1.00 0.00 H new ATOM 0 HG21 VAL A 47 20.724 25.038 -1.913 1.00 0.00 H new ATOM 0 HG22 VAL A 47 20.052 26.104 -3.170 1.00 0.00 H new ATOM 0 HG23 VAL A 47 20.677 24.496 -3.607 1.00 0.00 H new ATOM 689 N ASN A 48 24.109 28.075 -4.619 1.00 0.00 N ATOM 690 CA ASN A 48 25.462 28.585 -4.812 1.00 0.00 C ATOM 691 C ASN A 48 26.273 28.478 -3.525 1.00 0.00 C ATOM 692 O ASN A 48 25.852 27.829 -2.567 1.00 0.00 O ATOM 693 CB ASN A 48 25.418 30.042 -5.280 1.00 0.00 C ATOM 694 CG ASN A 48 24.007 30.511 -5.577 1.00 0.00 C ATOM 695 OD1 ASN A 48 23.322 29.954 -6.434 1.00 0.00 O ATOM 696 ND2 ASN A 48 23.565 31.543 -4.866 1.00 0.00 N ATOM 0 H ASN A 48 23.445 28.763 -4.264 1.00 0.00 H new ATOM 0 HA ASN A 48 25.946 27.978 -5.577 1.00 0.00 H new ATOM 0 HB2 ASN A 48 25.856 30.681 -4.513 1.00 0.00 H new ATOM 0 HB3 ASN A 48 26.031 30.152 -6.175 1.00 0.00 H new ATOM 0 HD21 ASN A 48 22.623 31.903 -5.021 1.00 0.00 H new ATOM 0 HD22 ASN A 48 24.167 31.975 -4.165 1.00 0.00 H new ATOM 703 N ASP A 49 27.436 29.118 -3.510 1.00 0.00 N ATOM 704 CA ASP A 49 28.306 29.096 -2.339 1.00 0.00 C ATOM 705 C ASP A 49 27.763 30.005 -1.241 1.00 0.00 C ATOM 706 O ASP A 49 28.293 30.037 -0.131 1.00 0.00 O ATOM 707 CB ASP A 49 29.723 29.528 -2.722 1.00 0.00 C ATOM 708 CG ASP A 49 30.757 28.467 -2.403 1.00 0.00 C ATOM 709 OD1 ASP A 49 30.707 27.383 -3.022 1.00 0.00 O ATOM 710 OD2 ASP A 49 31.618 28.720 -1.535 1.00 0.00 O ATOM 0 H ASP A 49 27.799 29.659 -4.295 1.00 0.00 H new ATOM 0 HA ASP A 49 28.336 28.075 -1.958 1.00 0.00 H new ATOM 0 HB2 ASP A 49 29.755 29.754 -3.788 1.00 0.00 H new ATOM 0 HB3 ASP A 49 29.975 30.447 -2.193 1.00 0.00 H new ATOM 715 N GLU A 50 26.704 30.743 -1.561 1.00 0.00 N ATOM 716 CA GLU A 50 26.092 31.654 -0.601 1.00 0.00 C ATOM 717 C GLU A 50 24.937 30.977 0.131 1.00 0.00 C ATOM 718 O GLU A 50 24.858 31.015 1.358 1.00 0.00 O ATOM 719 CB GLU A 50 25.592 32.915 -1.309 1.00 0.00 C ATOM 720 CG GLU A 50 26.380 34.165 -0.956 1.00 0.00 C ATOM 721 CD GLU A 50 26.523 34.360 0.541 1.00 0.00 C ATOM 722 OE1 GLU A 50 25.486 34.422 1.234 1.00 0.00 O ATOM 723 OE2 GLU A 50 27.673 34.450 1.020 1.00 0.00 O ATOM 0 H GLU A 50 26.253 30.728 -2.476 1.00 0.00 H new ATOM 0 HA GLU A 50 26.850 31.933 0.131 1.00 0.00 H new ATOM 0 HB2 GLU A 50 25.639 32.759 -2.387 1.00 0.00 H new ATOM 0 HB3 GLU A 50 24.544 33.073 -1.055 1.00 0.00 H new ATOM 0 HG2 GLU A 50 27.370 34.105 -1.407 1.00 0.00 H new ATOM 0 HG3 GLU A 50 25.885 35.036 -1.387 1.00 0.00 H new ATOM 730 N GLY A 51 24.041 30.358 -0.632 1.00 0.00 N ATOM 731 CA GLY A 51 22.902 29.682 -0.040 1.00 0.00 C ATOM 732 C GLY A 51 21.584 30.140 -0.632 1.00 0.00 C ATOM 733 O GLY A 51 20.564 30.170 0.058 1.00 0.00 O ATOM 0 H GLY A 51 24.084 30.313 -1.650 1.00 0.00 H new ATOM 0 HA2 GLY A 51 23.007 28.607 -0.183 1.00 0.00 H new ATOM 0 HA3 GLY A 51 22.896 29.861 1.035 1.00 0.00 H new ATOM 737 N ILE A 52 21.604 30.499 -1.911 1.00 0.00 N ATOM 738 CA ILE A 52 20.401 30.958 -2.594 1.00 0.00 C ATOM 739 C ILE A 52 20.098 30.094 -3.814 1.00 0.00 C ATOM 740 O ILE A 52 21.009 29.623 -4.495 1.00 0.00 O ATOM 741 CB ILE A 52 20.533 32.426 -3.039 1.00 0.00 C ATOM 742 CG1 ILE A 52 20.812 33.325 -1.832 1.00 0.00 C ATOM 743 CG2 ILE A 52 19.271 32.876 -3.760 1.00 0.00 C ATOM 744 CD1 ILE A 52 19.786 33.191 -0.729 1.00 0.00 C ATOM 0 H ILE A 52 22.440 30.481 -2.495 1.00 0.00 H new ATOM 0 HA ILE A 52 19.581 30.875 -1.880 1.00 0.00 H new ATOM 0 HB ILE A 52 21.372 32.507 -3.730 1.00 0.00 H new ATOM 0 HG12 ILE A 52 21.797 33.086 -1.432 1.00 0.00 H new ATOM 0 HG13 ILE A 52 20.845 34.363 -2.162 1.00 0.00 H new ATOM 0 HG21 ILE A 52 19.379 33.916 -4.068 1.00 0.00 H new ATOM 0 HG22 ILE A 52 19.112 32.251 -4.639 1.00 0.00 H new ATOM 0 HG23 ILE A 52 18.416 32.784 -3.090 1.00 0.00 H new ATOM 0 HD11 ILE A 52 20.047 33.857 0.094 1.00 0.00 H new ATOM 0 HD12 ILE A 52 18.802 33.458 -1.113 1.00 0.00 H new ATOM 0 HD13 ILE A 52 19.769 32.162 -0.371 1.00 0.00 H new ATOM 756 N ILE A 53 18.813 29.893 -4.084 1.00 0.00 N ATOM 757 CA ILE A 53 18.390 29.088 -5.224 1.00 0.00 C ATOM 758 C ILE A 53 18.598 29.840 -6.535 1.00 0.00 C ATOM 759 O ILE A 53 17.998 30.890 -6.760 1.00 0.00 O ATOM 760 CB ILE A 53 16.909 28.682 -5.107 1.00 0.00 C ATOM 761 CG1 ILE A 53 16.680 27.865 -3.834 1.00 0.00 C ATOM 762 CG2 ILE A 53 16.478 27.892 -6.334 1.00 0.00 C ATOM 763 CD1 ILE A 53 17.403 26.536 -3.831 1.00 0.00 C ATOM 0 H ILE A 53 18.047 30.276 -3.530 1.00 0.00 H new ATOM 0 HA ILE A 53 19.006 28.189 -5.222 1.00 0.00 H new ATOM 0 HB ILE A 53 16.303 29.586 -5.049 1.00 0.00 H new ATOM 0 HG12 ILE A 53 17.006 28.449 -2.973 1.00 0.00 H new ATOM 0 HG13 ILE A 53 15.611 27.688 -3.713 1.00 0.00 H new ATOM 0 HG21 ILE A 53 15.429 27.612 -6.237 1.00 0.00 H new ATOM 0 HG22 ILE A 53 16.609 28.505 -7.226 1.00 0.00 H new ATOM 0 HG23 ILE A 53 17.087 26.992 -6.420 1.00 0.00 H new ATOM 0 HD11 ILE A 53 17.195 26.011 -2.899 1.00 0.00 H new ATOM 0 HD12 ILE A 53 17.059 25.933 -4.671 1.00 0.00 H new ATOM 0 HD13 ILE A 53 18.476 26.705 -3.921 1.00 0.00 H new ATOM 775 N GLU A 54 19.450 29.292 -7.396 1.00 0.00 N ATOM 776 CA GLU A 54 19.735 29.911 -8.685 1.00 0.00 C ATOM 777 C GLU A 54 19.034 29.163 -9.815 1.00 0.00 C ATOM 778 O GLU A 54 18.660 29.755 -10.827 1.00 0.00 O ATOM 779 CB GLU A 54 21.244 29.942 -8.938 1.00 0.00 C ATOM 780 CG GLU A 54 21.802 28.625 -9.450 1.00 0.00 C ATOM 781 CD GLU A 54 21.737 28.512 -10.961 1.00 0.00 C ATOM 782 OE1 GLU A 54 21.190 29.435 -11.601 1.00 0.00 O ATOM 783 OE2 GLU A 54 22.232 27.503 -11.504 1.00 0.00 O ATOM 0 H GLU A 54 19.954 28.422 -7.224 1.00 0.00 H new ATOM 0 HA GLU A 54 19.357 30.933 -8.660 1.00 0.00 H new ATOM 0 HB2 GLU A 54 21.467 30.727 -9.661 1.00 0.00 H new ATOM 0 HB3 GLU A 54 21.754 30.208 -8.012 1.00 0.00 H new ATOM 0 HG2 GLU A 54 22.838 28.523 -9.126 1.00 0.00 H new ATOM 0 HG3 GLU A 54 21.246 27.801 -9.003 1.00 0.00 H new ATOM 790 N ASP A 55 18.861 27.858 -9.634 1.00 0.00 N ATOM 791 CA ASP A 55 18.204 27.028 -10.637 1.00 0.00 C ATOM 792 C ASP A 55 17.245 26.039 -9.981 1.00 0.00 C ATOM 793 O ASP A 55 17.496 25.555 -8.878 1.00 0.00 O ATOM 794 CB ASP A 55 19.245 26.274 -11.466 1.00 0.00 C ATOM 795 CG ASP A 55 19.249 26.703 -12.920 1.00 0.00 C ATOM 796 OD1 ASP A 55 18.282 26.374 -13.639 1.00 0.00 O ATOM 797 OD2 ASP A 55 20.218 27.369 -13.339 1.00 0.00 O ATOM 0 H ASP A 55 19.166 27.352 -8.802 1.00 0.00 H new ATOM 0 HA ASP A 55 17.630 27.681 -11.294 1.00 0.00 H new ATOM 0 HB2 ASP A 55 20.234 26.439 -11.039 1.00 0.00 H new ATOM 0 HB3 ASP A 55 19.047 25.204 -11.407 1.00 0.00 H new ATOM 802 N ALA A 56 16.145 25.746 -10.667 1.00 0.00 N ATOM 803 CA ALA A 56 15.149 24.815 -10.152 1.00 0.00 C ATOM 804 C ALA A 56 14.625 23.905 -11.257 1.00 0.00 C ATOM 805 O ALA A 56 13.953 24.360 -12.183 1.00 0.00 O ATOM 806 CB ALA A 56 14.002 25.575 -9.503 1.00 0.00 C ATOM 0 H ALA A 56 15.921 26.140 -11.581 1.00 0.00 H new ATOM 0 HA ALA A 56 15.628 24.189 -9.399 1.00 0.00 H new ATOM 0 HB1 ALA A 56 13.265 24.867 -9.123 1.00 0.00 H new ATOM 0 HB2 ALA A 56 14.385 26.178 -8.679 1.00 0.00 H new ATOM 0 HB3 ALA A 56 13.533 26.225 -10.241 1.00 0.00 H new ATOM 812 N ARG A 57 14.937 22.617 -11.155 1.00 0.00 N ATOM 813 CA ARG A 57 14.498 21.643 -12.147 1.00 0.00 C ATOM 814 C ARG A 57 13.292 20.857 -11.642 1.00 0.00 C ATOM 815 O ARG A 57 12.872 21.014 -10.495 1.00 0.00 O ATOM 816 CB ARG A 57 15.639 20.683 -12.490 1.00 0.00 C ATOM 817 CG ARG A 57 15.975 20.642 -13.972 1.00 0.00 C ATOM 818 CD ARG A 57 17.459 20.396 -14.199 1.00 0.00 C ATOM 819 NE ARG A 57 18.284 21.452 -13.619 1.00 0.00 N ATOM 820 CZ ARG A 57 19.590 21.564 -13.832 1.00 0.00 C ATOM 821 NH1 ARG A 57 20.216 20.691 -14.608 1.00 0.00 N ATOM 822 NH2 ARG A 57 20.273 22.553 -13.268 1.00 0.00 N ATOM 0 H ARG A 57 15.492 22.224 -10.395 1.00 0.00 H new ATOM 0 HA ARG A 57 14.205 22.185 -13.046 1.00 0.00 H new ATOM 0 HB2 ARG A 57 16.529 20.975 -11.932 1.00 0.00 H new ATOM 0 HB3 ARG A 57 15.371 19.680 -12.159 1.00 0.00 H new ATOM 0 HG2 ARG A 57 15.396 19.855 -14.456 1.00 0.00 H new ATOM 0 HG3 ARG A 57 15.685 21.584 -14.438 1.00 0.00 H new ATOM 0 HD2 ARG A 57 17.738 19.437 -13.763 1.00 0.00 H new ATOM 0 HD3 ARG A 57 17.656 20.329 -15.269 1.00 0.00 H new ATOM 0 HE ARG A 57 17.833 22.141 -13.018 1.00 0.00 H new ATOM 0 HH11 ARG A 57 19.695 19.930 -15.044 1.00 0.00 H new ATOM 0 HH12 ARG A 57 21.219 20.780 -14.770 1.00 0.00 H new ATOM 0 HH21 ARG A 57 19.795 23.227 -12.671 1.00 0.00 H new ATOM 0 HH22 ARG A 57 21.276 22.638 -13.432 1.00 0.00 H new ATOM 836 N PHE A 58 12.739 20.011 -12.505 1.00 0.00 N ATOM 837 CA PHE A 58 11.581 19.201 -12.147 1.00 0.00 C ATOM 838 C PHE A 58 11.359 18.088 -13.166 1.00 0.00 C ATOM 839 O PHE A 58 11.874 18.142 -14.284 1.00 0.00 O ATOM 840 CB PHE A 58 10.330 20.077 -12.051 1.00 0.00 C ATOM 841 CG PHE A 58 10.117 20.952 -13.253 1.00 0.00 C ATOM 842 CD1 PHE A 58 10.693 22.211 -13.321 1.00 0.00 C ATOM 843 CD2 PHE A 58 9.342 20.517 -14.316 1.00 0.00 C ATOM 844 CE1 PHE A 58 10.499 23.018 -14.425 1.00 0.00 C ATOM 845 CE2 PHE A 58 9.145 21.320 -15.423 1.00 0.00 C ATOM 846 CZ PHE A 58 9.725 22.572 -15.478 1.00 0.00 C ATOM 0 H PHE A 58 13.075 19.869 -13.458 1.00 0.00 H new ATOM 0 HA PHE A 58 11.774 18.746 -11.175 1.00 0.00 H new ATOM 0 HB2 PHE A 58 9.458 19.437 -11.918 1.00 0.00 H new ATOM 0 HB3 PHE A 58 10.403 20.705 -11.163 1.00 0.00 H new ATOM 0 HD1 PHE A 58 11.301 22.565 -12.501 1.00 0.00 H new ATOM 0 HD2 PHE A 58 8.886 19.538 -14.279 1.00 0.00 H new ATOM 0 HE1 PHE A 58 10.952 23.997 -14.465 1.00 0.00 H new ATOM 0 HE2 PHE A 58 8.538 20.969 -16.244 1.00 0.00 H new ATOM 0 HZ PHE A 58 9.574 23.201 -16.343 1.00 0.00 H new ATOM 856 N LYS A 59 10.590 17.078 -12.773 1.00 0.00 N ATOM 857 CA LYS A 59 10.298 15.951 -13.651 1.00 0.00 C ATOM 858 C LYS A 59 8.800 15.667 -13.692 1.00 0.00 C ATOM 859 O LYS A 59 8.081 15.925 -12.726 1.00 0.00 O ATOM 860 CB LYS A 59 11.051 14.705 -13.182 1.00 0.00 C ATOM 861 CG LYS A 59 12.211 14.319 -14.084 1.00 0.00 C ATOM 862 CD LYS A 59 11.948 13.004 -14.798 1.00 0.00 C ATOM 863 CE LYS A 59 12.954 12.765 -15.914 1.00 0.00 C ATOM 864 NZ LYS A 59 13.637 11.449 -15.773 1.00 0.00 N ATOM 0 H LYS A 59 10.157 17.017 -11.851 1.00 0.00 H new ATOM 0 HA LYS A 59 10.628 16.211 -14.657 1.00 0.00 H new ATOM 0 HB2 LYS A 59 11.427 14.876 -12.174 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.353 13.870 -13.124 1.00 0.00 H new ATOM 0 HG2 LYS A 59 12.379 15.106 -14.819 1.00 0.00 H new ATOM 0 HG3 LYS A 59 13.122 14.237 -13.491 1.00 0.00 H new ATOM 0 HD2 LYS A 59 11.996 12.184 -14.082 1.00 0.00 H new ATOM 0 HD3 LYS A 59 10.939 13.008 -15.211 1.00 0.00 H new ATOM 0 HE2 LYS A 59 12.445 12.809 -16.877 1.00 0.00 H new ATOM 0 HE3 LYS A 59 13.697 13.562 -15.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 14.314 11.324 -16.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 14.144 11.416 -14.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.931 10.686 -15.803 1.00 0.00 H new ATOM 978 N ALA A 68 0.188 21.856 -12.026 1.00 0.00 N ATOM 979 CA ALA A 68 0.483 23.247 -11.706 1.00 0.00 C ATOM 980 C ALA A 68 1.129 23.368 -10.330 1.00 0.00 C ATOM 981 O ALA A 68 1.961 24.246 -10.099 1.00 0.00 O ATOM 982 CB ALA A 68 -0.785 24.085 -11.771 1.00 0.00 C ATOM 0 HA ALA A 68 1.191 23.622 -12.446 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.549 25.121 -11.530 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.204 24.033 -12.776 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.511 23.702 -11.054 1.00 0.00 H new ATOM 988 N SER A 69 0.740 22.483 -9.418 1.00 0.00 N ATOM 989 CA SER A 69 1.278 22.494 -8.063 1.00 0.00 C ATOM 990 C SER A 69 2.799 22.380 -8.082 1.00 0.00 C ATOM 991 O SER A 69 3.482 22.894 -7.196 1.00 0.00 O ATOM 992 CB SER A 69 0.679 21.349 -7.244 1.00 0.00 C ATOM 993 OG SER A 69 0.438 20.213 -8.057 1.00 0.00 O ATOM 0 H SER A 69 0.054 21.749 -9.593 1.00 0.00 H new ATOM 0 HA SER A 69 1.008 23.443 -7.599 1.00 0.00 H new ATOM 0 HB2 SER A 69 1.358 21.083 -6.434 1.00 0.00 H new ATOM 0 HB3 SER A 69 -0.254 21.676 -6.784 1.00 0.00 H new ATOM 0 HG SER A 69 0.057 19.494 -7.510 1.00 0.00 H new ATOM 999 N SER A 70 3.323 21.701 -9.098 1.00 0.00 N ATOM 1000 CA SER A 70 4.763 21.515 -9.231 1.00 0.00 C ATOM 1001 C SER A 70 5.405 22.717 -9.917 1.00 0.00 C ATOM 1002 O SER A 70 6.419 23.242 -9.455 1.00 0.00 O ATOM 1003 CB SER A 70 5.063 20.241 -10.023 1.00 0.00 C ATOM 1004 OG SER A 70 3.961 19.351 -9.994 1.00 0.00 O ATOM 0 H SER A 70 2.772 21.271 -9.841 1.00 0.00 H new ATOM 0 HA SER A 70 5.186 21.421 -8.231 1.00 0.00 H new ATOM 0 HB2 SER A 70 5.300 20.498 -11.055 1.00 0.00 H new ATOM 0 HB3 SER A 70 5.943 19.749 -9.607 1.00 0.00 H new ATOM 0 HG SER A 70 4.177 18.546 -10.509 1.00 0.00 H new ATOM 1010 N SER A 71 4.807 23.149 -11.023 1.00 0.00 N ATOM 1011 CA SER A 71 5.321 24.286 -11.776 1.00 0.00 C ATOM 1012 C SER A 71 5.251 25.564 -10.946 1.00 0.00 C ATOM 1013 O SER A 71 5.981 26.524 -11.198 1.00 0.00 O ATOM 1014 CB SER A 71 4.532 24.464 -13.075 1.00 0.00 C ATOM 1015 OG SER A 71 5.401 24.645 -14.179 1.00 0.00 O ATOM 0 H SER A 71 3.966 22.728 -11.417 1.00 0.00 H new ATOM 0 HA SER A 71 6.365 24.087 -12.018 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.902 23.591 -13.244 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.868 25.324 -12.986 1.00 0.00 H new ATOM 0 HG SER A 71 4.872 24.755 -14.997 1.00 0.00 H new ATOM 1021 N LEU A 72 4.367 25.570 -9.954 1.00 0.00 N ATOM 1022 CA LEU A 72 4.199 26.730 -9.085 1.00 0.00 C ATOM 1023 C LEU A 72 5.280 26.764 -8.009 1.00 0.00 C ATOM 1024 O LEU A 72 5.927 27.789 -7.797 1.00 0.00 O ATOM 1025 CB LEU A 72 2.815 26.708 -8.434 1.00 0.00 C ATOM 1026 CG LEU A 72 2.574 27.743 -7.335 1.00 0.00 C ATOM 1027 CD1 LEU A 72 2.436 29.134 -7.933 1.00 0.00 C ATOM 1028 CD2 LEU A 72 1.337 27.384 -6.525 1.00 0.00 C ATOM 0 H LEU A 72 3.755 24.785 -9.731 1.00 0.00 H new ATOM 0 HA LEU A 72 4.292 27.628 -9.696 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.067 26.854 -9.213 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.649 25.716 -8.014 1.00 0.00 H new ATOM 0 HG LEU A 72 3.435 27.741 -6.666 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.265 29.857 -7.136 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.350 29.393 -8.468 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.594 29.151 -8.625 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.181 28.132 -5.748 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.467 27.357 -7.182 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.475 26.406 -6.065 1.00 0.00 H new ATOM 1040 N VAL A 73 5.470 25.635 -7.333 1.00 0.00 N ATOM 1041 CA VAL A 73 6.475 25.535 -6.281 1.00 0.00 C ATOM 1042 C VAL A 73 7.879 25.735 -6.841 1.00 0.00 C ATOM 1043 O VAL A 73 8.783 26.185 -6.136 1.00 0.00 O ATOM 1044 CB VAL A 73 6.407 24.171 -5.569 1.00 0.00 C ATOM 1045 CG1 VAL A 73 5.090 24.022 -4.822 1.00 0.00 C ATOM 1046 CG2 VAL A 73 6.594 23.039 -6.568 1.00 0.00 C ATOM 0 H VAL A 73 4.942 24.778 -7.495 1.00 0.00 H new ATOM 0 HA VAL A 73 6.259 26.324 -5.561 1.00 0.00 H new ATOM 0 HB VAL A 73 7.217 24.120 -4.841 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.061 23.052 -4.326 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.002 24.813 -4.078 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.262 24.094 -5.527 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.543 22.083 -6.048 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.807 23.085 -7.321 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.566 23.138 -7.052 1.00 0.00 H new ATOM 1056 N THR A 74 8.056 25.397 -8.114 1.00 0.00 N ATOM 1057 CA THR A 74 9.350 25.539 -8.770 1.00 0.00 C ATOM 1058 C THR A 74 9.688 27.006 -9.009 1.00 0.00 C ATOM 1059 O THR A 74 10.766 27.471 -8.642 1.00 0.00 O ATOM 1060 CB THR A 74 9.383 24.790 -10.116 1.00 0.00 C ATOM 1061 OG1 THR A 74 8.092 24.837 -10.734 1.00 0.00 O ATOM 1062 CG2 THR A 74 9.805 23.342 -9.919 1.00 0.00 C ATOM 0 H THR A 74 7.319 25.023 -8.712 1.00 0.00 H new ATOM 0 HA THR A 74 10.092 25.103 -8.102 1.00 0.00 H new ATOM 0 HB THR A 74 10.112 25.279 -10.762 1.00 0.00 H new ATOM 0 HG1 THR A 74 7.535 24.111 -10.384 1.00 0.00 H new ATOM 0 HG21 THR A 74 9.821 22.833 -10.883 1.00 0.00 H new ATOM 0 HG22 THR A 74 10.800 23.310 -9.475 1.00 0.00 H new ATOM 0 HG23 THR A 74 9.097 22.843 -9.257 1.00 0.00 H new ATOM 1070 N GLU A 75 8.758 27.729 -9.626 1.00 0.00 N ATOM 1071 CA GLU A 75 8.959 29.145 -9.913 1.00 0.00 C ATOM 1072 C GLU A 75 9.109 29.946 -8.623 1.00 0.00 C ATOM 1073 O GLU A 75 9.650 31.052 -8.626 1.00 0.00 O ATOM 1074 CB GLU A 75 7.790 29.692 -10.734 1.00 0.00 C ATOM 1075 CG GLU A 75 7.678 29.077 -12.119 1.00 0.00 C ATOM 1076 CD GLU A 75 8.671 29.668 -13.102 1.00 0.00 C ATOM 1077 OE1 GLU A 75 8.520 30.856 -13.454 1.00 0.00 O ATOM 1078 OE2 GLU A 75 9.598 28.942 -13.518 1.00 0.00 O ATOM 0 H GLU A 75 7.860 27.358 -9.936 1.00 0.00 H new ATOM 0 HA GLU A 75 9.878 29.246 -10.491 1.00 0.00 H new ATOM 0 HB2 GLU A 75 6.862 29.515 -10.191 1.00 0.00 H new ATOM 0 HB3 GLU A 75 7.901 30.772 -10.833 1.00 0.00 H new ATOM 0 HG2 GLU A 75 7.838 28.001 -12.049 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.666 29.224 -12.497 1.00 0.00 H new ATOM 1085 N TRP A 76 8.624 29.381 -7.524 1.00 0.00 N ATOM 1086 CA TRP A 76 8.703 30.043 -6.226 1.00 0.00 C ATOM 1087 C TRP A 76 10.098 29.904 -5.628 1.00 0.00 C ATOM 1088 O TRP A 76 10.675 30.876 -5.140 1.00 0.00 O ATOM 1089 CB TRP A 76 7.663 29.458 -5.269 1.00 0.00 C ATOM 1090 CG TRP A 76 6.493 30.365 -5.036 1.00 0.00 C ATOM 1091 CD1 TRP A 76 5.171 30.024 -5.072 1.00 0.00 C ATOM 1092 CD2 TRP A 76 6.540 31.764 -4.733 1.00 0.00 C ATOM 1093 NE1 TRP A 76 4.394 31.126 -4.810 1.00 0.00 N ATOM 1094 CE2 TRP A 76 5.209 32.206 -4.598 1.00 0.00 C ATOM 1095 CE3 TRP A 76 7.576 32.685 -4.560 1.00 0.00 C ATOM 1096 CZ2 TRP A 76 4.891 33.528 -4.300 1.00 0.00 C ATOM 1097 CZ3 TRP A 76 7.259 33.997 -4.265 1.00 0.00 C ATOM 1098 CH2 TRP A 76 5.925 34.409 -4.136 1.00 0.00 C ATOM 0 H TRP A 76 8.172 28.467 -7.505 1.00 0.00 H new ATOM 0 HA TRP A 76 8.496 31.103 -6.373 1.00 0.00 H new ATOM 0 HB2 TRP A 76 7.304 28.510 -5.669 1.00 0.00 H new ATOM 0 HB3 TRP A 76 8.141 29.240 -4.314 1.00 0.00 H new ATOM 0 HD1 TRP A 76 4.792 29.033 -5.276 1.00 0.00 H new ATOM 0 HE1 TRP A 76 3.375 31.138 -4.778 1.00 0.00 H new ATOM 0 HE3 TRP A 76 8.607 32.377 -4.655 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 3.864 33.847 -4.202 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 8.052 34.718 -4.131 1.00 0.00 H new ATOM 0 HH2 TRP A 76 5.710 35.441 -3.903 1.00 0.00 H new ATOM 1109 N VAL A 77 10.637 28.689 -5.669 1.00 0.00 N ATOM 1110 CA VAL A 77 11.966 28.424 -5.132 1.00 0.00 C ATOM 1111 C VAL A 77 13.047 29.050 -6.006 1.00 0.00 C ATOM 1112 O VAL A 77 14.094 29.469 -5.513 1.00 0.00 O ATOM 1113 CB VAL A 77 12.231 26.912 -5.011 1.00 0.00 C ATOM 1114 CG1 VAL A 77 11.325 26.293 -3.957 1.00 0.00 C ATOM 1115 CG2 VAL A 77 12.040 26.229 -6.357 1.00 0.00 C ATOM 0 H VAL A 77 10.173 27.873 -6.069 1.00 0.00 H new ATOM 0 HA VAL A 77 12.001 28.872 -4.139 1.00 0.00 H new ATOM 0 HB VAL A 77 13.265 26.766 -4.698 1.00 0.00 H new ATOM 0 HG11 VAL A 77 11.527 25.224 -3.886 1.00 0.00 H new ATOM 0 HG12 VAL A 77 11.515 26.763 -2.992 1.00 0.00 H new ATOM 0 HG13 VAL A 77 10.283 26.448 -4.237 1.00 0.00 H new ATOM 0 HG21 VAL A 77 12.231 25.161 -6.253 1.00 0.00 H new ATOM 0 HG22 VAL A 77 11.017 26.383 -6.701 1.00 0.00 H new ATOM 0 HG23 VAL A 77 12.734 26.653 -7.082 1.00 0.00 H new ATOM 1125 N LYS A 78 12.786 29.111 -7.307 1.00 0.00 N ATOM 1126 CA LYS A 78 13.735 29.688 -8.252 1.00 0.00 C ATOM 1127 C LYS A 78 14.084 31.122 -7.866 1.00 0.00 C ATOM 1128 O LYS A 78 13.327 32.051 -8.142 1.00 0.00 O ATOM 1129 CB LYS A 78 13.158 29.656 -9.669 1.00 0.00 C ATOM 1130 CG LYS A 78 13.774 28.585 -10.553 1.00 0.00 C ATOM 1131 CD LYS A 78 14.140 29.134 -11.921 1.00 0.00 C ATOM 1132 CE LYS A 78 12.943 29.137 -12.859 1.00 0.00 C ATOM 1133 NZ LYS A 78 12.901 30.365 -13.701 1.00 0.00 N ATOM 0 H LYS A 78 11.924 28.768 -7.732 1.00 0.00 H new ATOM 0 HA LYS A 78 14.646 29.091 -8.224 1.00 0.00 H new ATOM 0 HB2 LYS A 78 12.082 29.492 -9.610 1.00 0.00 H new ATOM 0 HB3 LYS A 78 13.307 30.630 -10.135 1.00 0.00 H new ATOM 0 HG2 LYS A 78 14.665 28.182 -10.071 1.00 0.00 H new ATOM 0 HG3 LYS A 78 13.073 27.759 -10.667 1.00 0.00 H new ATOM 0 HD2 LYS A 78 14.524 30.149 -11.816 1.00 0.00 H new ATOM 0 HD3 LYS A 78 14.941 28.533 -12.353 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.983 28.257 -13.501 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.025 29.065 -12.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 12.071 30.329 -14.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 12.837 31.203 -13.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 13.766 30.421 -14.276 1.00 0.00 H new ATOM 1147 N GLY A 79 15.237 31.294 -7.226 1.00 0.00 N ATOM 1148 CA GLY A 79 15.667 32.617 -6.814 1.00 0.00 C ATOM 1149 C GLY A 79 15.544 32.827 -5.318 1.00 0.00 C ATOM 1150 O GLY A 79 16.185 33.713 -4.753 1.00 0.00 O ATOM 0 H GLY A 79 15.881 30.540 -6.986 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.704 32.769 -7.115 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.071 33.367 -7.333 1.00 0.00 H new ATOM 1154 N LYS A 80 14.716 32.012 -4.674 1.00 0.00 N ATOM 1155 CA LYS A 80 14.509 32.111 -3.234 1.00 0.00 C ATOM 1156 C LYS A 80 15.644 31.432 -2.473 1.00 0.00 C ATOM 1157 O LYS A 80 16.394 30.636 -3.039 1.00 0.00 O ATOM 1158 CB LYS A 80 13.171 31.479 -2.845 1.00 0.00 C ATOM 1159 CG LYS A 80 12.235 32.433 -2.124 1.00 0.00 C ATOM 1160 CD LYS A 80 11.509 33.346 -3.098 1.00 0.00 C ATOM 1161 CE LYS A 80 10.250 33.933 -2.479 1.00 0.00 C ATOM 1162 NZ LYS A 80 10.079 35.371 -2.827 1.00 0.00 N ATOM 0 H LYS A 80 14.177 31.274 -5.127 1.00 0.00 H new ATOM 0 HA LYS A 80 14.496 33.168 -2.966 1.00 0.00 H new ATOM 0 HB2 LYS A 80 12.678 31.110 -3.744 1.00 0.00 H new ATOM 0 HB3 LYS A 80 13.358 30.615 -2.207 1.00 0.00 H new ATOM 0 HG2 LYS A 80 11.507 31.863 -1.547 1.00 0.00 H new ATOM 0 HG3 LYS A 80 12.803 33.035 -1.415 1.00 0.00 H new ATOM 0 HD2 LYS A 80 12.174 34.153 -3.407 1.00 0.00 H new ATOM 0 HD3 LYS A 80 11.247 32.787 -3.996 1.00 0.00 H new ATOM 0 HE2 LYS A 80 9.381 33.371 -2.821 1.00 0.00 H new ATOM 0 HE3 LYS A 80 10.294 33.824 -1.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 9.210 35.734 -2.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 10.896 35.912 -2.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 10.012 35.473 -3.860 1.00 0.00 H new ATOM 1176 N SER A 81 15.763 31.751 -1.189 1.00 0.00 N ATOM 1177 CA SER A 81 16.807 31.173 -0.351 1.00 0.00 C ATOM 1178 C SER A 81 16.373 29.820 0.203 1.00 0.00 C ATOM 1179 O SER A 81 15.334 29.282 -0.183 1.00 0.00 O ATOM 1180 CB SER A 81 17.151 32.121 0.799 1.00 0.00 C ATOM 1181 OG SER A 81 16.067 32.239 1.704 1.00 0.00 O ATOM 0 H SER A 81 15.149 32.407 -0.706 1.00 0.00 H new ATOM 0 HA SER A 81 17.693 31.026 -0.968 1.00 0.00 H new ATOM 0 HB2 SER A 81 18.031 31.753 1.327 1.00 0.00 H new ATOM 0 HB3 SER A 81 17.405 33.103 0.401 1.00 0.00 H new ATOM 0 HG SER A 81 16.313 32.849 2.431 1.00 0.00 H new ATOM 1187 N LEU A 82 17.176 29.274 1.110 1.00 0.00 N ATOM 1188 CA LEU A 82 16.876 27.982 1.718 1.00 0.00 C ATOM 1189 C LEU A 82 15.772 28.115 2.762 1.00 0.00 C ATOM 1190 O LEU A 82 14.869 27.281 2.835 1.00 0.00 O ATOM 1191 CB LEU A 82 18.134 27.395 2.362 1.00 0.00 C ATOM 1192 CG LEU A 82 19.379 27.342 1.476 1.00 0.00 C ATOM 1193 CD1 LEU A 82 20.631 27.181 2.324 1.00 0.00 C ATOM 1194 CD2 LEU A 82 19.267 26.209 0.466 1.00 0.00 C ATOM 0 H LEU A 82 18.039 29.705 1.440 1.00 0.00 H new ATOM 0 HA LEU A 82 16.529 27.310 0.933 1.00 0.00 H new ATOM 0 HB2 LEU A 82 18.370 27.980 3.251 1.00 0.00 H new ATOM 0 HB3 LEU A 82 17.908 26.383 2.697 1.00 0.00 H new ATOM 0 HG LEU A 82 19.453 28.282 0.930 1.00 0.00 H new ATOM 0 HD11 LEU A 82 21.507 27.145 1.676 1.00 0.00 H new ATOM 0 HD12 LEU A 82 20.719 28.026 3.007 1.00 0.00 H new ATOM 0 HD13 LEU A 82 20.566 26.256 2.897 1.00 0.00 H new ATOM 0 HD21 LEU A 82 20.162 26.186 -0.156 1.00 0.00 H new ATOM 0 HD22 LEU A 82 19.167 25.260 0.993 1.00 0.00 H new ATOM 0 HD23 LEU A 82 18.391 26.368 -0.163 1.00 0.00 H new ATOM 1206 N ASP A 83 15.849 29.170 3.566 1.00 0.00 N ATOM 1207 CA ASP A 83 14.854 29.415 4.603 1.00 0.00 C ATOM 1208 C ASP A 83 13.520 29.829 3.990 1.00 0.00 C ATOM 1209 O ASP A 83 12.460 29.381 4.426 1.00 0.00 O ATOM 1210 CB ASP A 83 15.345 30.497 5.566 1.00 0.00 C ATOM 1211 CG ASP A 83 16.309 29.956 6.603 1.00 0.00 C ATOM 1212 OD1 ASP A 83 17.428 29.553 6.220 1.00 0.00 O ATOM 1213 OD2 ASP A 83 15.946 29.935 7.797 1.00 0.00 O ATOM 0 H ASP A 83 16.590 29.869 3.519 1.00 0.00 H new ATOM 0 HA ASP A 83 14.706 28.487 5.156 1.00 0.00 H new ATOM 0 HB2 ASP A 83 15.833 31.289 4.999 1.00 0.00 H new ATOM 0 HB3 ASP A 83 14.489 30.946 6.070 1.00 0.00 H new ATOM 1218 N GLU A 84 13.581 30.688 2.978 1.00 0.00 N ATOM 1219 CA GLU A 84 12.377 31.164 2.307 1.00 0.00 C ATOM 1220 C GLU A 84 11.545 29.995 1.788 1.00 0.00 C ATOM 1221 O GLU A 84 10.387 29.826 2.169 1.00 0.00 O ATOM 1222 CB GLU A 84 12.745 32.096 1.150 1.00 0.00 C ATOM 1223 CG GLU A 84 12.992 33.532 1.579 1.00 0.00 C ATOM 1224 CD GLU A 84 11.710 34.271 1.909 1.00 0.00 C ATOM 1225 OE1 GLU A 84 11.014 34.702 0.966 1.00 0.00 O ATOM 1226 OE2 GLU A 84 11.403 34.418 3.111 1.00 0.00 O ATOM 0 H GLU A 84 14.451 31.069 2.605 1.00 0.00 H new ATOM 0 HA GLU A 84 11.782 31.717 3.034 1.00 0.00 H new ATOM 0 HB2 GLU A 84 13.639 31.714 0.658 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.943 32.079 0.412 1.00 0.00 H new ATOM 0 HG2 GLU A 84 13.646 33.539 2.451 1.00 0.00 H new ATOM 0 HG3 GLU A 84 13.517 34.060 0.783 1.00 0.00 H new ATOM 1233 N ALA A 85 12.144 29.191 0.916 1.00 0.00 N ATOM 1234 CA ALA A 85 11.460 28.037 0.345 1.00 0.00 C ATOM 1235 C ALA A 85 10.975 27.091 1.438 1.00 0.00 C ATOM 1236 O ALA A 85 9.872 26.550 1.358 1.00 0.00 O ATOM 1237 CB ALA A 85 12.379 27.304 -0.621 1.00 0.00 C ATOM 0 H ALA A 85 13.102 29.317 0.589 1.00 0.00 H new ATOM 0 HA ALA A 85 10.588 28.396 -0.202 1.00 0.00 H new ATOM 0 HB1 ALA A 85 11.856 26.445 -1.040 1.00 0.00 H new ATOM 0 HB2 ALA A 85 12.673 27.978 -1.426 1.00 0.00 H new ATOM 0 HB3 ALA A 85 13.268 26.964 -0.090 1.00 0.00 H new ATOM 1243 N GLN A 86 11.805 26.896 2.457 1.00 0.00 N ATOM 1244 CA GLN A 86 11.460 26.014 3.566 1.00 0.00 C ATOM 1245 C GLN A 86 10.329 26.606 4.400 1.00 0.00 C ATOM 1246 O GLN A 86 9.623 25.886 5.106 1.00 0.00 O ATOM 1247 CB GLN A 86 12.684 25.765 4.448 1.00 0.00 C ATOM 1248 CG GLN A 86 12.579 24.506 5.293 1.00 0.00 C ATOM 1249 CD GLN A 86 12.566 24.801 6.780 1.00 0.00 C ATOM 1250 OE1 GLN A 86 13.569 24.618 7.470 1.00 0.00 O ATOM 1251 NE2 GLN A 86 11.426 25.261 7.283 1.00 0.00 N ATOM 0 H GLN A 86 12.721 27.337 2.538 1.00 0.00 H new ATOM 0 HA GLN A 86 11.122 25.065 3.151 1.00 0.00 H new ATOM 0 HB2 GLN A 86 13.569 25.695 3.816 1.00 0.00 H new ATOM 0 HB3 GLN A 86 12.828 26.623 5.105 1.00 0.00 H new ATOM 0 HG2 GLN A 86 11.670 23.968 5.025 1.00 0.00 H new ATOM 0 HG3 GLN A 86 13.418 23.848 5.064 1.00 0.00 H new ATOM 0 HE21 GLN A 86 10.619 25.398 6.675 1.00 0.00 H new ATOM 0 HE22 GLN A 86 11.358 25.477 8.277 1.00 0.00 H new ATOM 1260 N ALA A 87 10.163 27.921 4.315 1.00 0.00 N ATOM 1261 CA ALA A 87 9.116 28.609 5.061 1.00 0.00 C ATOM 1262 C ALA A 87 7.778 28.524 4.335 1.00 0.00 C ATOM 1263 O ALA A 87 6.732 28.835 4.905 1.00 0.00 O ATOM 1264 CB ALA A 87 9.502 30.063 5.292 1.00 0.00 C ATOM 0 H ALA A 87 10.740 28.532 3.737 1.00 0.00 H new ATOM 0 HA ALA A 87 9.007 28.115 6.027 1.00 0.00 H new ATOM 0 HB1 ALA A 87 8.712 30.565 5.850 1.00 0.00 H new ATOM 0 HB2 ALA A 87 10.431 30.107 5.860 1.00 0.00 H new ATOM 0 HB3 ALA A 87 9.640 30.560 4.332 1.00 0.00 H new ATOM 1270 N ILE A 88 7.819 28.103 3.076 1.00 0.00 N ATOM 1271 CA ILE A 88 6.609 27.977 2.273 1.00 0.00 C ATOM 1272 C ILE A 88 5.542 27.174 3.010 1.00 0.00 C ATOM 1273 O ILE A 88 5.845 26.193 3.689 1.00 0.00 O ATOM 1274 CB ILE A 88 6.899 27.303 0.919 1.00 0.00 C ATOM 1275 CG1 ILE A 88 7.816 28.186 0.071 1.00 0.00 C ATOM 1276 CG2 ILE A 88 5.600 27.016 0.182 1.00 0.00 C ATOM 1277 CD1 ILE A 88 8.227 27.549 -1.238 1.00 0.00 C ATOM 0 H ILE A 88 8.677 27.843 2.590 1.00 0.00 H new ATOM 0 HA ILE A 88 6.242 28.988 2.095 1.00 0.00 H new ATOM 0 HB ILE A 88 7.407 26.356 1.102 1.00 0.00 H new ATOM 0 HG12 ILE A 88 7.309 29.129 -0.136 1.00 0.00 H new ATOM 0 HG13 ILE A 88 8.711 28.425 0.646 1.00 0.00 H new ATOM 0 HG21 ILE A 88 5.821 26.540 -0.773 1.00 0.00 H new ATOM 0 HG22 ILE A 88 4.979 26.352 0.784 1.00 0.00 H new ATOM 0 HG23 ILE A 88 5.067 27.951 0.007 1.00 0.00 H new ATOM 0 HD11 ILE A 88 8.876 28.231 -1.787 1.00 0.00 H new ATOM 0 HD12 ILE A 88 8.762 26.621 -1.039 1.00 0.00 H new ATOM 0 HD13 ILE A 88 7.339 27.335 -1.833 1.00 0.00 H new ATOM 1289 N LYS A 89 4.290 27.596 2.870 1.00 0.00 N ATOM 1290 CA LYS A 89 3.175 26.916 3.519 1.00 0.00 C ATOM 1291 C LYS A 89 2.154 26.440 2.490 1.00 0.00 C ATOM 1292 O LYS A 89 1.781 27.183 1.583 1.00 0.00 O ATOM 1293 CB LYS A 89 2.501 27.847 4.529 1.00 0.00 C ATOM 1294 CG LYS A 89 3.297 28.034 5.809 1.00 0.00 C ATOM 1295 CD LYS A 89 3.980 29.391 5.847 1.00 0.00 C ATOM 1296 CE LYS A 89 2.981 30.511 6.100 1.00 0.00 C ATOM 1297 NZ LYS A 89 2.520 30.533 7.515 1.00 0.00 N ATOM 0 H LYS A 89 4.022 28.407 2.312 1.00 0.00 H new ATOM 0 HA LYS A 89 3.569 26.045 4.043 1.00 0.00 H new ATOM 0 HB2 LYS A 89 2.343 28.820 4.064 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.517 27.449 4.778 1.00 0.00 H new ATOM 0 HG2 LYS A 89 2.634 27.935 6.669 1.00 0.00 H new ATOM 0 HG3 LYS A 89 4.046 27.246 5.891 1.00 0.00 H new ATOM 0 HD2 LYS A 89 4.739 29.396 6.629 1.00 0.00 H new ATOM 0 HD3 LYS A 89 4.494 29.567 4.902 1.00 0.00 H new ATOM 0 HE2 LYS A 89 3.439 31.469 5.852 1.00 0.00 H new ATOM 0 HE3 LYS A 89 2.122 30.388 5.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 1.977 31.403 7.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 1.916 29.706 7.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 3.344 30.506 8.149 1.00 0.00 H new ATOM 1311 N ASN A 90 1.706 25.198 2.638 1.00 0.00 N ATOM 1312 CA ASN A 90 0.728 24.624 1.721 1.00 0.00 C ATOM 1313 C ASN A 90 -0.463 25.560 1.541 1.00 0.00 C ATOM 1314 O ASN A 90 -1.046 25.642 0.459 1.00 0.00 O ATOM 1315 CB ASN A 90 0.249 23.266 2.238 1.00 0.00 C ATOM 1316 CG ASN A 90 -0.487 23.376 3.559 1.00 0.00 C ATOM 1317 OD1 ASN A 90 0.128 23.395 4.625 1.00 0.00 O ATOM 1318 ND2 ASN A 90 -1.811 23.450 3.493 1.00 0.00 N ATOM 0 H ASN A 90 2.004 24.570 3.384 1.00 0.00 H new ATOM 0 HA ASN A 90 1.211 24.488 0.753 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -0.407 22.809 1.497 1.00 0.00 H new ATOM 0 HB3 ASN A 90 1.106 22.603 2.357 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -2.361 23.526 4.349 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -2.278 23.431 2.587 1.00 0.00 H new ATOM 1325 N THR A 91 -0.821 26.267 2.609 1.00 0.00 N ATOM 1326 CA THR A 91 -1.942 27.197 2.570 1.00 0.00 C ATOM 1327 C THR A 91 -1.819 28.158 1.393 1.00 0.00 C ATOM 1328 O THR A 91 -2.821 28.648 0.873 1.00 0.00 O ATOM 1329 CB THR A 91 -2.043 28.011 3.874 1.00 0.00 C ATOM 1330 OG1 THR A 91 -3.195 28.859 3.835 1.00 0.00 O ATOM 1331 CG2 THR A 91 -0.794 28.853 4.084 1.00 0.00 C ATOM 0 H THR A 91 -0.350 26.213 3.512 1.00 0.00 H new ATOM 0 HA THR A 91 -2.845 26.598 2.454 1.00 0.00 H new ATOM 0 HB THR A 91 -2.135 27.313 4.706 1.00 0.00 H new ATOM 0 HG1 THR A 91 -3.252 29.372 4.668 1.00 0.00 H new ATOM 0 HG21 THR A 91 -0.888 29.419 5.011 1.00 0.00 H new ATOM 0 HG22 THR A 91 0.078 28.202 4.144 1.00 0.00 H new ATOM 0 HG23 THR A 91 -0.675 29.543 3.248 1.00 0.00 H new ATOM 1339 N ASP A 92 -0.585 28.422 0.978 1.00 0.00 N ATOM 1340 CA ASP A 92 -0.331 29.323 -0.140 1.00 0.00 C ATOM 1341 C ASP A 92 -0.544 28.611 -1.472 1.00 0.00 C ATOM 1342 O ASP A 92 -1.254 29.109 -2.346 1.00 0.00 O ATOM 1343 CB ASP A 92 1.094 29.874 -0.065 1.00 0.00 C ATOM 1344 CG ASP A 92 1.138 31.299 0.451 1.00 0.00 C ATOM 1345 OD1 ASP A 92 1.184 31.483 1.685 1.00 0.00 O ATOM 1346 OD2 ASP A 92 1.126 32.231 -0.380 1.00 0.00 O ATOM 0 H ASP A 92 0.255 28.025 1.399 1.00 0.00 H new ATOM 0 HA ASP A 92 -1.037 30.151 -0.074 1.00 0.00 H new ATOM 0 HB2 ASP A 92 1.693 29.237 0.585 1.00 0.00 H new ATOM 0 HB3 ASP A 92 1.548 29.835 -1.055 1.00 0.00 H new ATOM 1351 N ILE A 93 0.076 27.445 -1.619 1.00 0.00 N ATOM 1352 CA ILE A 93 -0.047 26.665 -2.845 1.00 0.00 C ATOM 1353 C ILE A 93 -1.479 26.183 -3.049 1.00 0.00 C ATOM 1354 O ILE A 93 -1.926 25.991 -4.179 1.00 0.00 O ATOM 1355 CB ILE A 93 0.895 25.447 -2.833 1.00 0.00 C ATOM 1356 CG1 ILE A 93 2.349 25.898 -2.993 1.00 0.00 C ATOM 1357 CG2 ILE A 93 0.513 24.471 -3.936 1.00 0.00 C ATOM 1358 CD1 ILE A 93 2.943 26.480 -1.730 1.00 0.00 C ATOM 0 H ILE A 93 0.668 27.020 -0.905 1.00 0.00 H new ATOM 0 HA ILE A 93 0.233 27.323 -3.667 1.00 0.00 H new ATOM 0 HB ILE A 93 0.795 24.938 -1.874 1.00 0.00 H new ATOM 0 HG12 ILE A 93 2.952 25.047 -3.310 1.00 0.00 H new ATOM 0 HG13 ILE A 93 2.405 26.642 -3.788 1.00 0.00 H new ATOM 0 HG21 ILE A 93 1.188 23.615 -3.915 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -0.511 24.130 -3.781 1.00 0.00 H new ATOM 0 HG23 ILE A 93 0.588 24.968 -4.903 1.00 0.00 H new ATOM 0 HD11 ILE A 93 3.975 26.778 -1.917 1.00 0.00 H new ATOM 0 HD12 ILE A 93 2.364 27.351 -1.423 1.00 0.00 H new ATOM 0 HD13 ILE A 93 2.919 25.731 -0.938 1.00 0.00 H new ATOM 1370 N ALA A 94 -2.196 25.991 -1.946 1.00 0.00 N ATOM 1371 CA ALA A 94 -3.580 25.536 -2.004 1.00 0.00 C ATOM 1372 C ALA A 94 -4.492 26.621 -2.565 1.00 0.00 C ATOM 1373 O ALA A 94 -5.294 26.367 -3.462 1.00 0.00 O ATOM 1374 CB ALA A 94 -4.053 25.109 -0.622 1.00 0.00 C ATOM 0 H ALA A 94 -1.841 26.143 -1.002 1.00 0.00 H new ATOM 0 HA ALA A 94 -3.626 24.677 -2.674 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -5.088 24.772 -0.680 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -3.426 24.295 -0.258 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -3.985 25.954 0.063 1.00 0.00 H new ATOM 1380 N GLU A 95 -4.363 27.831 -2.030 1.00 0.00 N ATOM 1381 CA GLU A 95 -5.178 28.955 -2.477 1.00 0.00 C ATOM 1382 C GLU A 95 -4.640 29.530 -3.785 1.00 0.00 C ATOM 1383 O GLU A 95 -5.351 30.229 -4.505 1.00 0.00 O ATOM 1384 CB GLU A 95 -5.216 30.045 -1.405 1.00 0.00 C ATOM 1385 CG GLU A 95 -5.841 29.590 -0.097 1.00 0.00 C ATOM 1386 CD GLU A 95 -7.356 29.643 -0.124 1.00 0.00 C ATOM 1387 OE1 GLU A 95 -7.917 30.727 0.138 1.00 0.00 O ATOM 1388 OE2 GLU A 95 -7.981 28.600 -0.408 1.00 0.00 O ATOM 0 H GLU A 95 -3.702 28.058 -1.287 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.191 28.591 -2.649 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -4.200 30.389 -1.212 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -5.775 30.899 -1.787 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -5.521 28.571 0.119 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -5.474 30.218 0.715 1.00 0.00 H new ATOM 1395 N GLU A 96 -3.379 29.231 -4.082 1.00 0.00 N ATOM 1396 CA GLU A 96 -2.746 29.719 -5.301 1.00 0.00 C ATOM 1397 C GLU A 96 -3.397 29.104 -6.536 1.00 0.00 C ATOM 1398 O GLU A 96 -3.794 29.814 -7.461 1.00 0.00 O ATOM 1399 CB GLU A 96 -1.250 29.401 -5.288 1.00 0.00 C ATOM 1400 CG GLU A 96 -0.389 30.543 -4.776 1.00 0.00 C ATOM 1401 CD GLU A 96 0.268 31.326 -5.896 1.00 0.00 C ATOM 1402 OE1 GLU A 96 -0.185 31.200 -7.053 1.00 0.00 O ATOM 1403 OE2 GLU A 96 1.234 32.066 -5.615 1.00 0.00 O ATOM 0 H GLU A 96 -2.776 28.654 -3.495 1.00 0.00 H new ATOM 0 HA GLU A 96 -2.880 30.800 -5.341 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -1.080 28.522 -4.667 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -0.933 29.143 -6.299 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -1.003 31.217 -4.179 1.00 0.00 H new ATOM 0 HG3 GLU A 96 0.381 30.145 -4.116 1.00 0.00 H new ATOM 1410 N LEU A 97 -3.503 27.780 -6.545 1.00 0.00 N ATOM 1411 CA LEU A 97 -4.105 27.068 -7.667 1.00 0.00 C ATOM 1412 C LEU A 97 -5.548 26.682 -7.355 1.00 0.00 C ATOM 1413 O LEU A 97 -6.312 26.327 -8.252 1.00 0.00 O ATOM 1414 CB LEU A 97 -3.291 25.816 -7.998 1.00 0.00 C ATOM 1415 CG LEU A 97 -1.838 26.051 -8.412 1.00 0.00 C ATOM 1416 CD1 LEU A 97 -1.076 24.735 -8.455 1.00 0.00 C ATOM 1417 CD2 LEU A 97 -1.774 26.751 -9.762 1.00 0.00 C ATOM 0 H LEU A 97 -3.180 27.178 -5.788 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.104 27.733 -8.530 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -3.298 25.161 -7.127 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.795 25.281 -8.803 1.00 0.00 H new ATOM 0 HG LEU A 97 -1.368 26.695 -7.669 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.044 24.922 -8.752 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.092 24.273 -7.468 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.545 24.066 -9.176 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.732 26.910 -10.040 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.261 26.132 -10.516 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.283 27.713 -9.698 1.00 0.00 H new ATOM 1429 N GLU A 98 -5.913 26.758 -6.079 1.00 0.00 N ATOM 1430 CA GLU A 98 -7.265 26.417 -5.651 1.00 0.00 C ATOM 1431 C GLU A 98 -7.562 24.943 -5.907 1.00 0.00 C ATOM 1432 O GLU A 98 -8.347 24.600 -6.792 1.00 0.00 O ATOM 1433 CB GLU A 98 -8.289 27.289 -6.380 1.00 0.00 C ATOM 1434 CG GLU A 98 -7.916 28.762 -6.421 1.00 0.00 C ATOM 1435 CD GLU A 98 -9.124 29.666 -6.571 1.00 0.00 C ATOM 1436 OE1 GLU A 98 -10.033 29.318 -7.354 1.00 0.00 O ATOM 1437 OE2 GLU A 98 -9.161 30.722 -5.905 1.00 0.00 O ATOM 0 H GLU A 98 -5.293 27.052 -5.325 1.00 0.00 H new ATOM 0 HA GLU A 98 -7.337 26.603 -4.579 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -8.404 26.924 -7.400 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -9.258 27.182 -5.892 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -7.383 29.023 -5.507 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -7.231 28.936 -7.251 1.00 0.00 H new ATOM 1444 N LEU A 99 -6.928 24.074 -5.126 1.00 0.00 N ATOM 1445 CA LEU A 99 -7.123 22.635 -5.268 1.00 0.00 C ATOM 1446 C LEU A 99 -8.494 22.218 -4.745 1.00 0.00 C ATOM 1447 O LEU A 99 -9.041 22.816 -3.818 1.00 0.00 O ATOM 1448 CB LEU A 99 -6.027 21.876 -4.519 1.00 0.00 C ATOM 1449 CG LEU A 99 -4.729 21.635 -5.291 1.00 0.00 C ATOM 1450 CD1 LEU A 99 -4.943 20.600 -6.385 1.00 0.00 C ATOM 1451 CD2 LEU A 99 -4.211 22.939 -5.882 1.00 0.00 C ATOM 0 H LEU A 99 -6.275 24.341 -4.389 1.00 0.00 H new ATOM 0 HA LEU A 99 -7.068 22.388 -6.328 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -5.788 22.427 -3.609 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -6.427 20.910 -4.211 1.00 0.00 H new ATOM 0 HG LEU A 99 -3.981 21.251 -4.597 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -4.009 20.441 -6.924 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -5.268 19.660 -5.938 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.706 20.955 -7.078 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -3.287 22.749 -6.428 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -4.956 23.352 -6.562 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -4.019 23.651 -5.080 1.00 0.00 H new ATOM 1463 N PRO A 100 -9.063 21.165 -5.351 1.00 0.00 N ATOM 1464 CA PRO A 100 -10.376 20.642 -4.962 1.00 0.00 C ATOM 1465 C PRO A 100 -10.349 19.965 -3.596 1.00 0.00 C ATOM 1466 O PRO A 100 -9.315 19.474 -3.140 1.00 0.00 O ATOM 1467 CB PRO A 100 -10.690 19.621 -6.058 1.00 0.00 C ATOM 1468 CG PRO A 100 -9.359 19.197 -6.575 1.00 0.00 C ATOM 1469 CD PRO A 100 -8.468 20.404 -6.463 1.00 0.00 C ATOM 0 HA PRO A 100 -11.120 21.434 -4.872 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -11.249 18.773 -5.661 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -11.299 20.062 -6.847 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -8.962 18.364 -5.995 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -9.431 18.860 -7.609 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -7.436 20.124 -6.251 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -8.458 20.983 -7.386 1.00 0.00 H new ATOM 1477 N PRO A 101 -11.510 19.936 -2.925 1.00 0.00 N ATOM 1478 CA PRO A 101 -11.644 19.321 -1.601 1.00 0.00 C ATOM 1479 C PRO A 101 -11.524 17.802 -1.654 1.00 0.00 C ATOM 1480 O PRO A 101 -11.479 17.136 -0.619 1.00 0.00 O ATOM 1481 CB PRO A 101 -13.052 19.731 -1.161 1.00 0.00 C ATOM 1482 CG PRO A 101 -13.793 19.967 -2.432 1.00 0.00 C ATOM 1483 CD PRO A 101 -12.781 20.502 -3.408 1.00 0.00 C ATOM 0 HA PRO A 101 -10.858 19.645 -0.919 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -13.524 18.949 -0.567 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -13.028 20.629 -0.544 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -14.240 19.044 -2.800 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -14.606 20.678 -2.284 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -13.000 20.186 -4.428 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -12.761 21.592 -3.409 1.00 0.00 H new ATOM 1491 N VAL A 102 -11.473 17.258 -2.865 1.00 0.00 N ATOM 1492 CA VAL A 102 -11.356 15.816 -3.052 1.00 0.00 C ATOM 1493 C VAL A 102 -10.050 15.291 -2.469 1.00 0.00 C ATOM 1494 O VAL A 102 -10.007 14.202 -1.894 1.00 0.00 O ATOM 1495 CB VAL A 102 -11.430 15.436 -4.543 1.00 0.00 C ATOM 1496 CG1 VAL A 102 -10.346 16.155 -5.332 1.00 0.00 C ATOM 1497 CG2 VAL A 102 -11.314 13.929 -4.714 1.00 0.00 C ATOM 0 H VAL A 102 -11.511 17.794 -3.732 1.00 0.00 H new ATOM 0 HA VAL A 102 -12.194 15.359 -2.526 1.00 0.00 H new ATOM 0 HB VAL A 102 -12.398 15.750 -4.933 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -10.414 15.874 -6.383 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -10.479 17.232 -5.235 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -9.367 15.874 -4.944 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -11.368 13.678 -5.773 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -10.361 13.589 -4.309 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -12.130 13.439 -4.183 1.00 0.00 H new ATOM 1507 N LYS A 103 -8.985 16.071 -2.619 1.00 0.00 N ATOM 1508 CA LYS A 103 -7.676 15.686 -2.105 1.00 0.00 C ATOM 1509 C LYS A 103 -6.803 16.914 -1.865 1.00 0.00 C ATOM 1510 O LYS A 103 -5.762 17.081 -2.501 1.00 0.00 O ATOM 1511 CB LYS A 103 -6.980 14.737 -3.084 1.00 0.00 C ATOM 1512 CG LYS A 103 -5.957 13.827 -2.426 1.00 0.00 C ATOM 1513 CD LYS A 103 -6.619 12.822 -1.498 1.00 0.00 C ATOM 1514 CE LYS A 103 -6.507 11.406 -2.040 1.00 0.00 C ATOM 1515 NZ LYS A 103 -7.424 11.178 -3.191 1.00 0.00 N ATOM 0 H LYS A 103 -9.003 16.974 -3.093 1.00 0.00 H new ATOM 0 HA LYS A 103 -7.823 15.174 -1.154 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -7.733 14.124 -3.580 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -6.486 15.325 -3.858 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -5.393 13.298 -3.194 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -5.243 14.428 -1.863 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -6.155 12.874 -0.513 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -7.670 13.081 -1.369 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -5.480 11.217 -2.351 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -6.736 10.694 -1.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -7.317 10.201 -3.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -8.407 11.334 -2.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -7.189 11.840 -3.958 1.00 0.00 H new ATOM 1529 N ILE A 104 -7.234 17.768 -0.943 1.00 0.00 N ATOM 1530 CA ILE A 104 -6.490 18.979 -0.617 1.00 0.00 C ATOM 1531 C ILE A 104 -5.026 18.664 -0.331 1.00 0.00 C ATOM 1532 O ILE A 104 -4.142 19.485 -0.580 1.00 0.00 O ATOM 1533 CB ILE A 104 -7.096 19.702 0.600 1.00 0.00 C ATOM 1534 CG1 ILE A 104 -8.537 20.123 0.306 1.00 0.00 C ATOM 1535 CG2 ILE A 104 -6.250 20.910 0.974 1.00 0.00 C ATOM 1536 CD1 ILE A 104 -8.646 21.209 -0.742 1.00 0.00 C ATOM 0 H ILE A 104 -8.094 17.644 -0.409 1.00 0.00 H new ATOM 0 HA ILE A 104 -6.555 19.633 -1.486 1.00 0.00 H new ATOM 0 HB ILE A 104 -7.105 19.014 1.445 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -9.102 19.251 -0.025 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -9.001 20.471 1.229 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -6.691 21.410 1.836 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -5.240 20.584 1.222 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -6.212 21.602 0.133 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -9.695 21.458 -0.900 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -8.110 22.096 -0.404 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -8.212 20.857 -1.678 1.00 0.00 H new ATOM 1548 N HIS A 105 -4.775 17.468 0.193 1.00 0.00 N ATOM 1549 CA HIS A 105 -3.416 17.043 0.511 1.00 0.00 C ATOM 1550 C HIS A 105 -2.506 17.176 -0.706 1.00 0.00 C ATOM 1551 O HIS A 105 -1.293 17.342 -0.571 1.00 0.00 O ATOM 1552 CB HIS A 105 -3.415 15.597 1.008 1.00 0.00 C ATOM 1553 CG HIS A 105 -2.337 15.308 2.006 1.00 0.00 C ATOM 1554 ND1 HIS A 105 -2.262 15.929 3.235 1.00 0.00 N ATOM 1555 CD2 HIS A 105 -1.286 14.456 1.953 1.00 0.00 C ATOM 1556 CE1 HIS A 105 -1.211 15.473 3.893 1.00 0.00 C ATOM 1557 NE2 HIS A 105 -0.602 14.577 3.137 1.00 0.00 N ATOM 0 H HIS A 105 -5.494 16.777 0.406 1.00 0.00 H new ATOM 0 HA HIS A 105 -3.034 17.691 1.300 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -4.383 15.375 1.457 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -3.298 14.928 0.155 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -1.033 13.802 1.131 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -0.902 15.781 4.881 1.00 0.00 H new ATOM 0 HE2 HIS A 105 0.239 14.059 3.392 1.00 0.00 H new ATOM 1565 N CYS A 106 -3.098 17.102 -1.892 1.00 0.00 N ATOM 1566 CA CYS A 106 -2.340 17.213 -3.134 1.00 0.00 C ATOM 1567 C CYS A 106 -1.607 18.548 -3.205 1.00 0.00 C ATOM 1568 O CYS A 106 -0.643 18.699 -3.956 1.00 0.00 O ATOM 1569 CB CYS A 106 -3.270 17.063 -4.338 1.00 0.00 C ATOM 1570 SG CYS A 106 -3.731 15.354 -4.707 1.00 0.00 S ATOM 0 H CYS A 106 -4.101 16.966 -2.021 1.00 0.00 H new ATOM 0 HA CYS A 106 -1.601 16.412 -3.153 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -4.176 17.642 -4.158 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -2.785 17.494 -5.214 1.00 0.00 H new ATOM 0 HG CYS A 106 -2.775 14.556 -4.333 1.00 0.00 H new ATOM 1576 N SER A 107 -2.070 19.515 -2.420 1.00 0.00 N ATOM 1577 CA SER A 107 -1.462 20.840 -2.399 1.00 0.00 C ATOM 1578 C SER A 107 -0.355 20.913 -1.351 1.00 0.00 C ATOM 1579 O SER A 107 0.583 21.701 -1.477 1.00 0.00 O ATOM 1580 CB SER A 107 -2.521 21.907 -2.113 1.00 0.00 C ATOM 1581 OG SER A 107 -2.842 21.949 -0.733 1.00 0.00 O ATOM 0 H SER A 107 -2.865 19.406 -1.790 1.00 0.00 H new ATOM 0 HA SER A 107 -1.024 21.027 -3.380 1.00 0.00 H new ATOM 0 HB2 SER A 107 -2.155 22.882 -2.435 1.00 0.00 H new ATOM 0 HB3 SER A 107 -3.420 21.697 -2.693 1.00 0.00 H new ATOM 0 HG SER A 107 -3.324 21.133 -0.484 1.00 0.00 H new ATOM 1587 N ILE A 108 -0.472 20.085 -0.318 1.00 0.00 N ATOM 1588 CA ILE A 108 0.519 20.054 0.751 1.00 0.00 C ATOM 1589 C ILE A 108 1.772 19.302 0.317 1.00 0.00 C ATOM 1590 O ILE A 108 2.888 19.666 0.690 1.00 0.00 O ATOM 1591 CB ILE A 108 -0.047 19.396 2.023 1.00 0.00 C ATOM 1592 CG1 ILE A 108 -1.351 20.079 2.441 1.00 0.00 C ATOM 1593 CG2 ILE A 108 0.974 19.457 3.150 1.00 0.00 C ATOM 1594 CD1 ILE A 108 -1.881 19.605 3.775 1.00 0.00 C ATOM 0 H ILE A 108 -1.242 19.427 -0.199 1.00 0.00 H new ATOM 0 HA ILE A 108 0.778 21.089 0.972 1.00 0.00 H new ATOM 0 HB ILE A 108 -0.260 18.349 1.808 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -1.189 21.156 2.485 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -2.106 19.901 1.675 1.00 0.00 H new ATOM 0 HG21 ILE A 108 0.559 18.988 4.042 1.00 0.00 H new ATOM 0 HG22 ILE A 108 1.879 18.929 2.850 1.00 0.00 H new ATOM 0 HG23 ILE A 108 1.216 20.498 3.366 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -2.807 20.132 4.007 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -2.075 18.533 3.729 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -1.144 19.808 4.552 1.00 0.00 H new ATOM 1606 N LEU A 109 1.581 18.252 -0.474 1.00 0.00 N ATOM 1607 CA LEU A 109 2.697 17.448 -0.962 1.00 0.00 C ATOM 1608 C LEU A 109 3.739 18.324 -1.651 1.00 0.00 C ATOM 1609 O LEU A 109 4.937 18.053 -1.578 1.00 0.00 O ATOM 1610 CB LEU A 109 2.194 16.376 -1.930 1.00 0.00 C ATOM 1611 CG LEU A 109 1.617 15.112 -1.291 1.00 0.00 C ATOM 1612 CD1 LEU A 109 0.366 14.664 -2.031 1.00 0.00 C ATOM 1613 CD2 LEU A 109 2.656 14.001 -1.274 1.00 0.00 C ATOM 0 H LEU A 109 0.664 17.937 -0.791 1.00 0.00 H new ATOM 0 HA LEU A 109 3.166 16.964 -0.105 1.00 0.00 H new ATOM 0 HB2 LEU A 109 1.428 16.820 -2.566 1.00 0.00 H new ATOM 0 HB3 LEU A 109 3.019 16.086 -2.580 1.00 0.00 H new ATOM 0 HG LEU A 109 1.343 15.341 -0.261 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -0.031 13.763 -1.563 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -0.383 15.454 -1.991 1.00 0.00 H new ATOM 0 HD13 LEU A 109 0.615 14.453 -3.071 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.228 13.109 -0.816 1.00 0.00 H new ATOM 0 HD22 LEU A 109 2.962 13.773 -2.295 1.00 0.00 H new ATOM 0 HD23 LEU A 109 3.524 14.323 -0.699 1.00 0.00 H new ATOM 1625 N ALA A 110 3.273 19.375 -2.317 1.00 0.00 N ATOM 1626 CA ALA A 110 4.165 20.293 -3.015 1.00 0.00 C ATOM 1627 C ALA A 110 5.164 20.925 -2.053 1.00 0.00 C ATOM 1628 O ALA A 110 6.274 21.284 -2.445 1.00 0.00 O ATOM 1629 CB ALA A 110 3.361 21.370 -3.728 1.00 0.00 C ATOM 0 H ALA A 110 2.283 19.612 -2.388 1.00 0.00 H new ATOM 0 HA ALA A 110 4.725 19.723 -3.756 1.00 0.00 H new ATOM 0 HB1 ALA A 110 4.040 22.048 -4.245 1.00 0.00 H new ATOM 0 HB2 ALA A 110 2.692 20.905 -4.452 1.00 0.00 H new ATOM 0 HB3 ALA A 110 2.775 21.929 -2.999 1.00 0.00 H new ATOM 1635 N GLU A 111 4.763 21.059 -0.793 1.00 0.00 N ATOM 1636 CA GLU A 111 5.625 21.650 0.224 1.00 0.00 C ATOM 1637 C GLU A 111 6.567 20.605 0.813 1.00 0.00 C ATOM 1638 O GLU A 111 7.630 20.938 1.338 1.00 0.00 O ATOM 1639 CB GLU A 111 4.782 22.278 1.336 1.00 0.00 C ATOM 1640 CG GLU A 111 3.441 22.808 0.858 1.00 0.00 C ATOM 1641 CD GLU A 111 3.565 23.681 -0.376 1.00 0.00 C ATOM 1642 OE1 GLU A 111 4.579 24.400 -0.494 1.00 0.00 O ATOM 1643 OE2 GLU A 111 2.648 23.645 -1.223 1.00 0.00 O ATOM 0 H GLU A 111 3.847 20.767 -0.452 1.00 0.00 H new ATOM 0 HA GLU A 111 6.224 22.427 -0.251 1.00 0.00 H new ATOM 0 HB2 GLU A 111 4.613 21.535 2.115 1.00 0.00 H new ATOM 0 HB3 GLU A 111 5.345 23.094 1.790 1.00 0.00 H new ATOM 0 HG2 GLU A 111 2.780 21.969 0.640 1.00 0.00 H new ATOM 0 HG3 GLU A 111 2.975 23.382 1.659 1.00 0.00 H new ATOM 1650 N ASP A 112 6.170 19.341 0.723 1.00 0.00 N ATOM 1651 CA ASP A 112 6.978 18.246 1.246 1.00 0.00 C ATOM 1652 C ASP A 112 8.131 17.922 0.301 1.00 0.00 C ATOM 1653 O ASP A 112 9.165 17.405 0.722 1.00 0.00 O ATOM 1654 CB ASP A 112 6.114 17.002 1.461 1.00 0.00 C ATOM 1655 CG ASP A 112 5.297 17.079 2.736 1.00 0.00 C ATOM 1656 OD1 ASP A 112 5.126 18.197 3.264 1.00 0.00 O ATOM 1657 OD2 ASP A 112 4.829 16.020 3.205 1.00 0.00 O ATOM 0 H ASP A 112 5.293 19.049 0.292 1.00 0.00 H new ATOM 0 HA ASP A 112 7.393 18.560 2.204 1.00 0.00 H new ATOM 0 HB2 ASP A 112 5.444 16.877 0.610 1.00 0.00 H new ATOM 0 HB3 ASP A 112 6.754 16.120 1.495 1.00 0.00 H new ATOM 1662 N ALA A 113 7.944 18.228 -0.979 1.00 0.00 N ATOM 1663 CA ALA A 113 8.969 17.971 -1.983 1.00 0.00 C ATOM 1664 C ALA A 113 10.034 19.062 -1.974 1.00 0.00 C ATOM 1665 O ALA A 113 11.228 18.776 -1.890 1.00 0.00 O ATOM 1666 CB ALA A 113 8.338 17.858 -3.363 1.00 0.00 C ATOM 0 H ALA A 113 7.092 18.654 -1.345 1.00 0.00 H new ATOM 0 HA ALA A 113 9.454 17.026 -1.738 1.00 0.00 H new ATOM 0 HB1 ALA A 113 9.114 17.666 -4.104 1.00 0.00 H new ATOM 0 HB2 ALA A 113 7.620 17.038 -3.369 1.00 0.00 H new ATOM 0 HB3 ALA A 113 7.827 18.789 -3.607 1.00 0.00 H new ATOM 1672 N ILE A 114 9.593 20.313 -2.061 1.00 0.00 N ATOM 1673 CA ILE A 114 10.510 21.446 -2.063 1.00 0.00 C ATOM 1674 C ILE A 114 11.436 21.406 -0.852 1.00 0.00 C ATOM 1675 O ILE A 114 12.620 21.730 -0.950 1.00 0.00 O ATOM 1676 CB ILE A 114 9.749 22.785 -2.068 1.00 0.00 C ATOM 1677 CG1 ILE A 114 8.751 22.834 -0.909 1.00 0.00 C ATOM 1678 CG2 ILE A 114 9.036 22.984 -3.397 1.00 0.00 C ATOM 1679 CD1 ILE A 114 9.193 23.725 0.231 1.00 0.00 C ATOM 0 H ILE A 114 8.608 20.567 -2.131 1.00 0.00 H new ATOM 0 HA ILE A 114 11.103 21.370 -2.974 1.00 0.00 H new ATOM 0 HB ILE A 114 10.467 23.595 -1.939 1.00 0.00 H new ATOM 0 HG12 ILE A 114 7.789 23.186 -1.283 1.00 0.00 H new ATOM 0 HG13 ILE A 114 8.596 21.824 -0.531 1.00 0.00 H new ATOM 0 HG21 ILE A 114 8.503 23.935 -3.385 1.00 0.00 H new ATOM 0 HG22 ILE A 114 9.767 22.988 -4.205 1.00 0.00 H new ATOM 0 HG23 ILE A 114 8.326 22.172 -3.554 1.00 0.00 H new ATOM 0 HD11 ILE A 114 8.438 23.712 1.017 1.00 0.00 H new ATOM 0 HD12 ILE A 114 10.139 23.361 0.631 1.00 0.00 H new ATOM 0 HD13 ILE A 114 9.321 24.745 -0.133 1.00 0.00 H new ATOM 1691 N LYS A 115 10.890 21.004 0.291 1.00 0.00 N ATOM 1692 CA LYS A 115 11.666 20.917 1.522 1.00 0.00 C ATOM 1693 C LYS A 115 12.656 19.758 1.460 1.00 0.00 C ATOM 1694 O LYS A 115 13.795 19.878 1.910 1.00 0.00 O ATOM 1695 CB LYS A 115 10.736 20.743 2.725 1.00 0.00 C ATOM 1696 CG LYS A 115 11.461 20.366 4.005 1.00 0.00 C ATOM 1697 CD LYS A 115 12.452 21.441 4.421 1.00 0.00 C ATOM 1698 CE LYS A 115 13.825 20.851 4.707 1.00 0.00 C ATOM 1699 NZ LYS A 115 14.050 20.651 6.165 1.00 0.00 N ATOM 0 H LYS A 115 9.912 20.733 0.390 1.00 0.00 H new ATOM 0 HA LYS A 115 12.226 21.845 1.635 1.00 0.00 H new ATOM 0 HB2 LYS A 115 10.188 21.671 2.888 1.00 0.00 H new ATOM 0 HB3 LYS A 115 9.998 19.974 2.495 1.00 0.00 H new ATOM 0 HG2 LYS A 115 10.735 20.210 4.803 1.00 0.00 H new ATOM 0 HG3 LYS A 115 11.986 19.421 3.862 1.00 0.00 H new ATOM 0 HD2 LYS A 115 12.533 22.188 3.632 1.00 0.00 H new ATOM 0 HD3 LYS A 115 12.083 21.954 5.309 1.00 0.00 H new ATOM 0 HE2 LYS A 115 13.925 19.897 4.190 1.00 0.00 H new ATOM 0 HE3 LYS A 115 14.595 21.512 4.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 14.996 20.248 6.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 13.980 21.565 6.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 13.331 20.000 6.541 1.00 0.00 H new ATOM 1713 N ALA A 116 12.214 18.637 0.898 1.00 0.00 N ATOM 1714 CA ALA A 116 13.063 17.459 0.775 1.00 0.00 C ATOM 1715 C ALA A 116 14.337 17.779 0.001 1.00 0.00 C ATOM 1716 O ALA A 116 15.374 17.148 0.206 1.00 0.00 O ATOM 1717 CB ALA A 116 12.301 16.329 0.097 1.00 0.00 C ATOM 0 H ALA A 116 11.273 18.521 0.521 1.00 0.00 H new ATOM 0 HA ALA A 116 13.349 17.141 1.778 1.00 0.00 H new ATOM 0 HB1 ALA A 116 12.947 15.455 0.011 1.00 0.00 H new ATOM 0 HB2 ALA A 116 11.423 16.075 0.691 1.00 0.00 H new ATOM 0 HB3 ALA A 116 11.987 16.647 -0.897 1.00 0.00 H new ATOM 1723 N ALA A 117 14.252 18.762 -0.889 1.00 0.00 N ATOM 1724 CA ALA A 117 15.400 19.166 -1.693 1.00 0.00 C ATOM 1725 C ALA A 117 16.360 20.031 -0.883 1.00 0.00 C ATOM 1726 O ALA A 117 17.578 19.877 -0.977 1.00 0.00 O ATOM 1727 CB ALA A 117 14.937 19.910 -2.936 1.00 0.00 C ATOM 0 H ALA A 117 13.401 19.293 -1.072 1.00 0.00 H new ATOM 0 HA ALA A 117 15.933 18.266 -1.999 1.00 0.00 H new ATOM 0 HB1 ALA A 117 15.804 20.206 -3.527 1.00 0.00 H new ATOM 0 HB2 ALA A 117 14.296 19.260 -3.532 1.00 0.00 H new ATOM 0 HB3 ALA A 117 14.379 20.798 -2.641 1.00 0.00 H new ATOM 1733 N ILE A 118 15.804 20.940 -0.089 1.00 0.00 N ATOM 1734 CA ILE A 118 16.612 21.828 0.737 1.00 0.00 C ATOM 1735 C ILE A 118 17.408 21.042 1.773 1.00 0.00 C ATOM 1736 O ILE A 118 18.527 21.416 2.125 1.00 0.00 O ATOM 1737 CB ILE A 118 15.740 22.872 1.460 1.00 0.00 C ATOM 1738 CG1 ILE A 118 14.994 23.738 0.442 1.00 0.00 C ATOM 1739 CG2 ILE A 118 16.597 23.737 2.372 1.00 0.00 C ATOM 1740 CD1 ILE A 118 14.128 24.803 1.076 1.00 0.00 C ATOM 0 H ILE A 118 14.798 21.081 -0.000 1.00 0.00 H new ATOM 0 HA ILE A 118 17.301 22.343 0.067 1.00 0.00 H new ATOM 0 HB ILE A 118 15.005 22.349 2.072 1.00 0.00 H new ATOM 0 HG12 ILE A 118 15.719 24.215 -0.218 1.00 0.00 H new ATOM 0 HG13 ILE A 118 14.370 23.097 -0.181 1.00 0.00 H new ATOM 0 HG21 ILE A 118 15.967 24.470 2.876 1.00 0.00 H new ATOM 0 HG22 ILE A 118 17.087 23.108 3.115 1.00 0.00 H new ATOM 0 HG23 ILE A 118 17.352 24.254 1.779 1.00 0.00 H new ATOM 0 HD11 ILE A 118 13.629 25.378 0.296 1.00 0.00 H new ATOM 0 HD12 ILE A 118 13.380 24.332 1.714 1.00 0.00 H new ATOM 0 HD13 ILE A 118 14.749 25.468 1.676 1.00 0.00 H new ATOM 1752 N ALA A 119 16.824 19.951 2.257 1.00 0.00 N ATOM 1753 CA ALA A 119 17.481 19.110 3.250 1.00 0.00 C ATOM 1754 C ALA A 119 18.536 18.219 2.604 1.00 0.00 C ATOM 1755 O ALA A 119 19.450 17.736 3.273 1.00 0.00 O ATOM 1756 CB ALA A 119 16.453 18.263 3.987 1.00 0.00 C ATOM 0 H ALA A 119 15.897 19.629 1.978 1.00 0.00 H new ATOM 0 HA ALA A 119 17.982 19.761 3.967 1.00 0.00 H new ATOM 0 HB1 ALA A 119 16.957 17.640 4.726 1.00 0.00 H new ATOM 0 HB2 ALA A 119 15.738 18.914 4.489 1.00 0.00 H new ATOM 0 HB3 ALA A 119 15.927 17.628 3.275 1.00 0.00 H new ATOM 1762 N ASP A 120 18.405 18.005 1.299 1.00 0.00 N ATOM 1763 CA ASP A 120 19.348 17.172 0.562 1.00 0.00 C ATOM 1764 C ASP A 120 20.629 17.942 0.257 1.00 0.00 C ATOM 1765 O ASP A 120 21.717 17.367 0.221 1.00 0.00 O ATOM 1766 CB ASP A 120 18.714 16.676 -0.739 1.00 0.00 C ATOM 1767 CG ASP A 120 18.553 15.168 -0.765 1.00 0.00 C ATOM 1768 OD1 ASP A 120 17.673 14.654 -0.045 1.00 0.00 O ATOM 1769 OD2 ASP A 120 19.307 14.504 -1.507 1.00 0.00 O ATOM 0 H ASP A 120 17.655 18.397 0.730 1.00 0.00 H new ATOM 0 HA ASP A 120 19.601 16.313 1.184 1.00 0.00 H new ATOM 0 HB2 ASP A 120 17.738 17.145 -0.867 1.00 0.00 H new ATOM 0 HB3 ASP A 120 19.330 16.988 -1.582 1.00 0.00 H new ATOM 1774 N TYR A 121 20.492 19.245 0.037 1.00 0.00 N ATOM 1775 CA TYR A 121 21.638 20.093 -0.269 1.00 0.00 C ATOM 1776 C TYR A 121 22.586 20.178 0.923 1.00 0.00 C ATOM 1777 O TYR A 121 23.785 19.927 0.798 1.00 0.00 O ATOM 1778 CB TYR A 121 21.170 21.495 -0.664 1.00 0.00 C ATOM 1779 CG TYR A 121 22.290 22.508 -0.738 1.00 0.00 C ATOM 1780 CD1 TYR A 121 23.495 22.198 -1.358 1.00 0.00 C ATOM 1781 CD2 TYR A 121 22.144 23.775 -0.187 1.00 0.00 C ATOM 1782 CE1 TYR A 121 24.521 23.120 -1.426 1.00 0.00 C ATOM 1783 CE2 TYR A 121 23.164 24.704 -0.252 1.00 0.00 C ATOM 1784 CZ TYR A 121 24.351 24.372 -0.873 1.00 0.00 C ATOM 1785 OH TYR A 121 25.370 25.294 -0.939 1.00 0.00 O ATOM 0 H TYR A 121 19.599 19.737 0.065 1.00 0.00 H new ATOM 0 HA TYR A 121 22.175 19.647 -1.106 1.00 0.00 H new ATOM 0 HB2 TYR A 121 20.673 21.444 -1.633 1.00 0.00 H new ATOM 0 HB3 TYR A 121 20.428 21.838 0.057 1.00 0.00 H new ATOM 0 HD1 TYR A 121 23.631 21.219 -1.794 1.00 0.00 H new ATOM 0 HD2 TYR A 121 21.217 24.038 0.301 1.00 0.00 H new ATOM 0 HE1 TYR A 121 25.452 22.862 -1.910 1.00 0.00 H new ATOM 0 HE2 TYR A 121 23.033 25.685 0.181 1.00 0.00 H new ATOM 0 HH TYR A 121 25.140 25.989 -1.590 1.00 0.00 H new ATOM 1795 N LYS A 122 22.040 20.534 2.081 1.00 0.00 N ATOM 1796 CA LYS A 122 22.834 20.651 3.298 1.00 0.00 C ATOM 1797 C LYS A 122 23.547 19.340 3.611 1.00 0.00 C ATOM 1798 O LYS A 122 24.573 19.327 4.292 1.00 0.00 O ATOM 1799 CB LYS A 122 21.943 21.053 4.476 1.00 0.00 C ATOM 1800 CG LYS A 122 21.023 22.223 4.172 1.00 0.00 C ATOM 1801 CD LYS A 122 20.662 22.991 5.432 1.00 0.00 C ATOM 1802 CE LYS A 122 19.444 23.875 5.216 1.00 0.00 C ATOM 1803 NZ LYS A 122 19.784 25.321 5.317 1.00 0.00 N ATOM 0 H LYS A 122 21.050 20.747 2.202 1.00 0.00 H new ATOM 0 HA LYS A 122 23.586 21.424 3.138 1.00 0.00 H new ATOM 0 HB2 LYS A 122 21.340 20.195 4.774 1.00 0.00 H new ATOM 0 HB3 LYS A 122 22.574 21.310 5.327 1.00 0.00 H new ATOM 0 HG2 LYS A 122 21.508 22.894 3.463 1.00 0.00 H new ATOM 0 HG3 LYS A 122 20.114 21.858 3.695 1.00 0.00 H new ATOM 0 HD2 LYS A 122 20.465 22.290 6.243 1.00 0.00 H new ATOM 0 HD3 LYS A 122 21.508 23.605 5.740 1.00 0.00 H new ATOM 0 HE2 LYS A 122 19.016 23.670 4.235 1.00 0.00 H new ATOM 0 HE3 LYS A 122 18.681 23.629 5.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 19.085 25.880 4.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 19.775 25.611 6.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 20.731 25.484 4.918 1.00 0.00 H new ATOM 1817 N SER A 123 22.999 18.238 3.108 1.00 0.00 N ATOM 1818 CA SER A 123 23.582 16.921 3.336 1.00 0.00 C ATOM 1819 C SER A 123 24.762 16.680 2.399 1.00 0.00 C ATOM 1820 O SER A 123 25.630 15.851 2.674 1.00 0.00 O ATOM 1821 CB SER A 123 22.527 15.831 3.137 1.00 0.00 C ATOM 1822 OG SER A 123 23.048 14.553 3.456 1.00 0.00 O ATOM 0 H SER A 123 22.152 18.231 2.540 1.00 0.00 H new ATOM 0 HA SER A 123 23.943 16.884 4.364 1.00 0.00 H new ATOM 0 HB2 SER A 123 21.660 16.041 3.764 1.00 0.00 H new ATOM 0 HB3 SER A 123 22.182 15.839 2.103 1.00 0.00 H new ATOM 0 HG SER A 123 22.354 13.874 3.322 1.00 0.00 H new ATOM 1828 N LYS A 124 24.787 17.411 1.289 1.00 0.00 N ATOM 1829 CA LYS A 124 25.860 17.280 0.310 1.00 0.00 C ATOM 1830 C LYS A 124 27.151 17.902 0.831 1.00 0.00 C ATOM 1831 O LYS A 124 28.246 17.522 0.415 1.00 0.00 O ATOM 1832 CB LYS A 124 25.457 17.943 -1.009 1.00 0.00 C ATOM 1833 CG LYS A 124 25.571 17.022 -2.212 1.00 0.00 C ATOM 1834 CD LYS A 124 24.452 15.995 -2.236 1.00 0.00 C ATOM 1835 CE LYS A 124 24.995 14.581 -2.376 1.00 0.00 C ATOM 1836 NZ LYS A 124 25.020 13.864 -1.071 1.00 0.00 N ATOM 0 H LYS A 124 24.076 18.100 1.045 1.00 0.00 H new ATOM 0 HA LYS A 124 26.034 16.218 0.138 1.00 0.00 H new ATOM 0 HB2 LYS A 124 24.429 18.297 -0.929 1.00 0.00 H new ATOM 0 HB3 LYS A 124 26.084 18.819 -1.172 1.00 0.00 H new ATOM 0 HG2 LYS A 124 25.543 17.613 -3.128 1.00 0.00 H new ATOM 0 HG3 LYS A 124 26.534 16.512 -2.191 1.00 0.00 H new ATOM 0 HD2 LYS A 124 23.867 16.072 -1.320 1.00 0.00 H new ATOM 0 HD3 LYS A 124 23.777 16.210 -3.064 1.00 0.00 H new ATOM 0 HE2 LYS A 124 24.381 14.025 -3.084 1.00 0.00 H new ATOM 0 HE3 LYS A 124 26.003 14.618 -2.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 25.064 12.839 -1.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 25.855 14.162 -0.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 24.159 14.090 -0.534 1.00 0.00 H new ATOM 1850 N ARG A 125 27.016 18.858 1.744 1.00 0.00 N ATOM 1851 CA ARG A 125 28.172 19.532 2.321 1.00 0.00 C ATOM 1852 C ARG A 125 28.337 19.165 3.793 1.00 0.00 C ATOM 1853 O ARG A 125 29.329 19.527 4.425 1.00 0.00 O ATOM 1854 CB ARG A 125 28.031 21.049 2.176 1.00 0.00 C ATOM 1855 CG ARG A 125 26.842 21.624 2.928 1.00 0.00 C ATOM 1856 CD ARG A 125 27.288 22.498 4.091 1.00 0.00 C ATOM 1857 NE ARG A 125 26.301 22.524 5.166 1.00 0.00 N ATOM 1858 CZ ARG A 125 26.317 23.408 6.158 1.00 0.00 C ATOM 1859 NH1 ARG A 125 27.265 24.333 6.209 1.00 0.00 N ATOM 1860 NH2 ARG A 125 25.384 23.367 7.100 1.00 0.00 N ATOM 0 H ARG A 125 26.117 19.183 2.100 1.00 0.00 H new ATOM 0 HA ARG A 125 29.059 19.203 1.780 1.00 0.00 H new ATOM 0 HB2 ARG A 125 28.943 21.526 2.535 1.00 0.00 H new ATOM 0 HB3 ARG A 125 27.936 21.297 1.119 1.00 0.00 H new ATOM 0 HG2 ARG A 125 26.227 22.211 2.245 1.00 0.00 H new ATOM 0 HG3 ARG A 125 26.218 20.812 3.300 1.00 0.00 H new ATOM 0 HD2 ARG A 125 28.237 22.128 4.479 1.00 0.00 H new ATOM 0 HD3 ARG A 125 27.463 23.513 3.735 1.00 0.00 H new ATOM 0 HE ARG A 125 25.558 21.825 5.155 1.00 0.00 H new ATOM 0 HH11 ARG A 125 27.984 24.367 5.486 1.00 0.00 H new ATOM 0 HH12 ARG A 125 27.276 25.011 6.971 1.00 0.00 H new ATOM 0 HH21 ARG A 125 24.653 22.656 7.063 1.00 0.00 H new ATOM 0 HH22 ARG A 125 25.397 24.046 7.861 1.00 0.00 H new