USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 610 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 62 SER OG : rot 126:sc= 1.19 USER MOD Set 1.2: A 69 THR OG1 : rot 180:sc= 0.779 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 92:sc= 0.738 USER MOD Single : A 38 LYS NZ :NH3+ 152:sc= -0.0238 (180deg=-0.0945) USER MOD Single : A 39 THR OG1 : rot 169:sc= 0.419 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= 0.452 X(o=0.45,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.126 X(o=-0.13,f=-0.014) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 138:sc= 0.67 (180deg=-0.0133) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.228) USER MOD Single : A 67 SER OG : rot 160:sc= -0.288 USER MOD Single : A 68 GLN : amide:sc= -0.942 K(o=-0.94,f=-5.4!) USER MOD Single : A 71 GLN : amide:sc= -0.326 X(o=-0.33,f=-0.13) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 86 THR OG1 : rot 170:sc= -1.94 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 90 HIS : no HE2:sc= -0.885 K(o=-0.89,f=-3.2!) USER MOD Single : A 93 HIS : no HD1:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 97 THR OG1 : rot 180:sc=-0.00586 USER MOD Single : A 99 HIS : no HD1:sc= -0.317 X(o=-0.32,f=-0.02) USER MOD ----------------------------------------------------------------- ATOM 380 N LYS A 31 6.024 -5.390 -10.180 1.00 0.00 N ATOM 381 CA LYS A 31 6.932 -4.543 -9.351 1.00 0.00 C ATOM 382 C LYS A 31 6.458 -3.098 -9.458 1.00 0.00 C ATOM 383 O LYS A 31 7.231 -2.183 -9.668 1.00 0.00 O ATOM 384 CB LYS A 31 8.321 -4.710 -9.973 1.00 0.00 C ATOM 385 CG LYS A 31 9.242 -5.429 -8.983 1.00 0.00 C ATOM 386 CD LYS A 31 9.381 -6.899 -9.386 1.00 0.00 C ATOM 387 CE LYS A 31 10.784 -7.395 -9.031 1.00 0.00 C ATOM 388 NZ LYS A 31 10.783 -8.840 -9.392 1.00 0.00 N ATOM 0 HA LYS A 31 6.944 -4.820 -8.297 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.250 -5.280 -10.899 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.736 -3.735 -10.229 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.222 -4.951 -8.969 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.837 -5.355 -7.974 1.00 0.00 H new ATOM 0 HD2 LYS A 31 8.631 -7.500 -8.873 1.00 0.00 H new ATOM 0 HD3 LYS A 31 9.203 -7.012 -10.455 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.548 -6.850 -9.586 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.997 -7.253 -7.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 11.713 -9.252 -9.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 10.051 -9.334 -8.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 10.584 -8.944 -10.408 1.00 0.00 H new ATOM 402 N ILE A 32 5.171 -2.903 -9.358 1.00 0.00 N ATOM 403 CA ILE A 32 4.604 -1.537 -9.501 1.00 0.00 C ATOM 404 C ILE A 32 5.218 -0.590 -8.463 1.00 0.00 C ATOM 405 O ILE A 32 4.967 -0.705 -7.279 1.00 0.00 O ATOM 406 CB ILE A 32 3.098 -1.704 -9.264 1.00 0.00 C ATOM 407 CG1 ILE A 32 2.482 -2.476 -10.438 1.00 0.00 C ATOM 408 CG2 ILE A 32 2.431 -0.328 -9.157 1.00 0.00 C ATOM 409 CD1 ILE A 32 2.237 -3.928 -10.029 1.00 0.00 C ATOM 0 H ILE A 32 4.486 -3.638 -9.182 1.00 0.00 H new ATOM 0 HA ILE A 32 4.815 -1.104 -10.479 1.00 0.00 H new ATOM 0 HB ILE A 32 2.939 -2.254 -8.336 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.544 -2.010 -10.740 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.148 -2.438 -11.300 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.361 -0.454 -8.989 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.867 0.224 -8.324 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.590 0.226 -10.082 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.799 -4.473 -10.866 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.183 -4.392 -9.749 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.554 -3.957 -9.180 1.00 0.00 H new ATOM 421 N ILE A 33 6.020 0.347 -8.901 1.00 0.00 N ATOM 422 CA ILE A 33 6.648 1.302 -7.940 1.00 0.00 C ATOM 423 C ILE A 33 5.680 2.448 -7.629 1.00 0.00 C ATOM 424 O ILE A 33 4.837 2.798 -8.433 1.00 0.00 O ATOM 425 CB ILE A 33 7.916 1.814 -8.637 1.00 0.00 C ATOM 426 CG1 ILE A 33 7.536 2.759 -9.791 1.00 0.00 C ATOM 427 CG2 ILE A 33 8.715 0.619 -9.175 1.00 0.00 C ATOM 428 CD1 ILE A 33 8.726 2.938 -10.735 1.00 0.00 C ATOM 0 H ILE A 33 6.266 0.491 -9.880 1.00 0.00 H new ATOM 0 HA ILE A 33 6.889 0.831 -6.987 1.00 0.00 H new ATOM 0 HB ILE A 33 8.527 2.365 -7.922 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.685 2.354 -10.338 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.228 3.726 -9.393 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.617 0.978 -9.671 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.992 -0.036 -8.348 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.105 0.065 -9.888 1.00 0.00 H new ATOM 0 HD11 ILE A 33 8.448 3.608 -11.548 1.00 0.00 H new ATOM 0 HD12 ILE A 33 9.566 3.364 -10.185 1.00 0.00 H new ATOM 0 HD13 ILE A 33 9.014 1.970 -11.145 1.00 0.00 H new ATOM 440 N LYS A 34 5.794 3.029 -6.465 1.00 0.00 N ATOM 441 CA LYS A 34 4.880 4.148 -6.091 1.00 0.00 C ATOM 442 C LYS A 34 5.503 5.494 -6.476 1.00 0.00 C ATOM 443 O LYS A 34 6.701 5.679 -6.394 1.00 0.00 O ATOM 444 CB LYS A 34 4.725 4.043 -4.572 1.00 0.00 C ATOM 445 CG LYS A 34 3.641 3.017 -4.239 1.00 0.00 C ATOM 446 CD LYS A 34 3.434 2.966 -2.724 1.00 0.00 C ATOM 447 CE LYS A 34 4.529 2.108 -2.082 1.00 0.00 C ATOM 448 NZ LYS A 34 3.800 1.084 -1.284 1.00 0.00 N ATOM 0 H LYS A 34 6.482 2.777 -5.755 1.00 0.00 H new ATOM 0 HA LYS A 34 3.920 4.085 -6.604 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.671 3.748 -4.119 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.461 5.015 -4.155 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.708 3.284 -4.735 1.00 0.00 H new ATOM 0 HG3 LYS A 34 3.930 2.034 -4.611 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.459 3.974 -2.310 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.452 2.551 -2.495 1.00 0.00 H new ATOM 0 HE2 LYS A 34 5.160 1.642 -2.839 1.00 0.00 H new ATOM 0 HE3 LYS A 34 5.182 2.710 -1.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 4.485 0.458 -0.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.213 1.556 -0.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.192 0.522 -1.913 1.00 0.00 H new ATOM 462 N VAL A 35 4.696 6.432 -6.894 1.00 0.00 N ATOM 463 CA VAL A 35 5.238 7.768 -7.281 1.00 0.00 C ATOM 464 C VAL A 35 4.307 8.878 -6.783 1.00 0.00 C ATOM 465 O VAL A 35 3.182 9.005 -7.227 1.00 0.00 O ATOM 466 CB VAL A 35 5.298 7.754 -8.812 1.00 0.00 C ATOM 467 CG1 VAL A 35 3.904 7.480 -9.388 1.00 0.00 C ATOM 468 CG2 VAL A 35 5.798 9.114 -9.313 1.00 0.00 C ATOM 0 H VAL A 35 3.685 6.332 -6.984 1.00 0.00 H new ATOM 0 HA VAL A 35 6.219 7.957 -6.844 1.00 0.00 H new ATOM 0 HB VAL A 35 5.980 6.968 -9.137 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.955 7.472 -10.477 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.548 6.513 -9.034 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.216 8.261 -9.063 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.842 9.107 -10.402 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.115 9.897 -8.982 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.793 9.306 -8.911 1.00 0.00 H new ATOM 478 N THR A 36 4.770 9.681 -5.864 1.00 0.00 N ATOM 479 CA THR A 36 3.918 10.785 -5.334 1.00 0.00 C ATOM 480 C THR A 36 3.975 11.990 -6.277 1.00 0.00 C ATOM 481 O THR A 36 4.979 12.670 -6.368 1.00 0.00 O ATOM 482 CB THR A 36 4.526 11.136 -3.975 1.00 0.00 C ATOM 483 OG1 THR A 36 4.862 9.940 -3.286 1.00 0.00 O ATOM 484 CG2 THR A 36 3.514 11.934 -3.151 1.00 0.00 C ATOM 0 H THR A 36 5.703 9.620 -5.456 1.00 0.00 H new ATOM 0 HA THR A 36 2.870 10.497 -5.248 1.00 0.00 H new ATOM 0 HB THR A 36 5.424 11.736 -4.123 1.00 0.00 H new ATOM 0 HG1 THR A 36 5.792 9.701 -3.481 1.00 0.00 H new ATOM 0 HG21 THR A 36 3.949 12.183 -2.183 1.00 0.00 H new ATOM 0 HG22 THR A 36 3.257 12.851 -3.680 1.00 0.00 H new ATOM 0 HG23 THR A 36 2.615 11.337 -3.002 1.00 0.00 H new ATOM 492 N VAL A 37 2.905 12.261 -6.977 1.00 0.00 N ATOM 493 CA VAL A 37 2.902 13.424 -7.913 1.00 0.00 C ATOM 494 C VAL A 37 2.318 14.654 -7.215 1.00 0.00 C ATOM 495 O VAL A 37 1.239 14.609 -6.657 1.00 0.00 O ATOM 496 CB VAL A 37 2.009 12.998 -9.081 1.00 0.00 C ATOM 497 CG1 VAL A 37 1.982 14.105 -10.135 1.00 0.00 C ATOM 498 CG2 VAL A 37 2.562 11.715 -9.708 1.00 0.00 C ATOM 0 H VAL A 37 2.035 11.729 -6.942 1.00 0.00 H new ATOM 0 HA VAL A 37 3.906 13.688 -8.247 1.00 0.00 H new ATOM 0 HB VAL A 37 0.998 12.818 -8.715 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.346 13.801 -10.966 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.587 15.020 -9.692 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.993 14.285 -10.499 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.925 11.413 -10.539 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.574 11.895 -10.072 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.581 10.923 -8.959 1.00 0.00 H new ATOM 508 N LYS A 38 3.024 15.752 -7.240 1.00 0.00 N ATOM 509 CA LYS A 38 2.511 16.986 -6.578 1.00 0.00 C ATOM 510 C LYS A 38 2.044 17.993 -7.632 1.00 0.00 C ATOM 511 O LYS A 38 2.799 18.396 -8.494 1.00 0.00 O ATOM 512 CB LYS A 38 3.702 17.541 -5.792 1.00 0.00 C ATOM 513 CG LYS A 38 3.513 17.258 -4.298 1.00 0.00 C ATOM 514 CD LYS A 38 3.459 18.579 -3.527 1.00 0.00 C ATOM 515 CE LYS A 38 3.922 18.350 -2.087 1.00 0.00 C ATOM 516 NZ LYS A 38 5.409 18.376 -2.154 1.00 0.00 N ATOM 0 H LYS A 38 3.934 15.848 -7.690 1.00 0.00 H new ATOM 0 HA LYS A 38 1.657 16.784 -5.931 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.627 17.084 -6.144 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.792 18.614 -5.960 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.594 16.694 -4.138 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.333 16.643 -3.928 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.095 19.321 -4.011 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.444 18.975 -3.535 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.543 19.126 -1.422 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.560 17.396 -1.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.792 18.698 -1.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.764 17.420 -2.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.711 19.028 -2.906 1.00 0.00 H new ATOM 530 N THR A 39 0.807 18.400 -7.564 1.00 0.00 N ATOM 531 CA THR A 39 0.284 19.381 -8.559 1.00 0.00 C ATOM 532 C THR A 39 -0.229 20.633 -7.836 1.00 0.00 C ATOM 533 O THR A 39 -0.410 20.617 -6.635 1.00 0.00 O ATOM 534 CB THR A 39 -0.862 18.651 -9.266 1.00 0.00 C ATOM 535 OG1 THR A 39 -1.865 18.318 -8.316 1.00 0.00 O ATOM 536 CG2 THR A 39 -0.332 17.373 -9.923 1.00 0.00 C ATOM 0 H THR A 39 0.133 18.096 -6.861 1.00 0.00 H new ATOM 0 HA THR A 39 1.047 19.712 -9.264 1.00 0.00 H new ATOM 0 HB THR A 39 -1.287 19.299 -10.033 1.00 0.00 H new ATOM 0 HG1 THR A 39 -2.669 18.010 -8.784 1.00 0.00 H new ATOM 0 HG21 THR A 39 -1.150 16.856 -10.425 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.437 17.630 -10.652 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.095 16.722 -9.160 1.00 0.00 H new ATOM 544 N PRO A 40 -0.449 21.682 -8.589 1.00 0.00 N ATOM 545 CA PRO A 40 -0.946 22.949 -7.992 1.00 0.00 C ATOM 546 C PRO A 40 -2.397 22.796 -7.518 1.00 0.00 C ATOM 547 O PRO A 40 -2.924 23.651 -6.833 1.00 0.00 O ATOM 548 CB PRO A 40 -0.848 23.950 -9.142 1.00 0.00 C ATOM 549 CG PRO A 40 -0.903 23.117 -10.380 1.00 0.00 C ATOM 550 CD PRO A 40 -0.263 21.796 -10.043 1.00 0.00 C ATOM 0 HA PRO A 40 -0.378 23.257 -7.114 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -1.667 24.668 -9.112 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.079 24.522 -9.091 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.934 22.976 -10.706 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -0.374 23.605 -11.199 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -0.740 20.972 -10.574 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.793 21.781 -10.314 1.00 0.00 H new ATOM 558 N LYS A 41 -3.045 21.716 -7.869 1.00 0.00 N ATOM 559 CA LYS A 41 -4.456 21.515 -7.431 1.00 0.00 C ATOM 560 C LYS A 41 -4.507 20.560 -6.234 1.00 0.00 C ATOM 561 O LYS A 41 -5.315 20.715 -5.339 1.00 0.00 O ATOM 562 CB LYS A 41 -5.164 20.900 -8.639 1.00 0.00 C ATOM 563 CG LYS A 41 -6.658 21.224 -8.574 1.00 0.00 C ATOM 564 CD LYS A 41 -7.398 20.087 -7.868 1.00 0.00 C ATOM 565 CE LYS A 41 -8.905 20.345 -7.924 1.00 0.00 C ATOM 566 NZ LYS A 41 -9.231 21.004 -6.630 1.00 0.00 N ATOM 0 H LYS A 41 -2.657 20.965 -8.440 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.926 22.446 -7.115 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.736 21.290 -9.562 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.015 19.820 -8.650 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.815 22.161 -8.039 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.055 21.361 -9.580 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.164 19.135 -8.345 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.069 20.014 -6.831 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -9.165 20.983 -8.769 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -9.461 19.415 -8.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -10.249 21.213 -6.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.979 20.371 -5.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.693 21.890 -6.546 1.00 0.00 H new ATOM 580 N GLU A 42 -3.648 19.575 -6.211 1.00 0.00 N ATOM 581 CA GLU A 42 -3.644 18.609 -5.072 1.00 0.00 C ATOM 582 C GLU A 42 -2.411 17.703 -5.149 1.00 0.00 C ATOM 583 O GLU A 42 -1.481 17.966 -5.886 1.00 0.00 O ATOM 584 CB GLU A 42 -4.926 17.787 -5.238 1.00 0.00 C ATOM 585 CG GLU A 42 -4.931 17.105 -6.608 1.00 0.00 C ATOM 586 CD GLU A 42 -6.304 16.479 -6.862 1.00 0.00 C ATOM 587 OE1 GLU A 42 -7.291 17.185 -6.728 1.00 0.00 O ATOM 588 OE2 GLU A 42 -6.347 15.303 -7.186 1.00 0.00 O ATOM 0 H GLU A 42 -2.949 19.397 -6.932 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.608 19.113 -4.106 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.994 17.038 -4.449 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.798 18.433 -5.140 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.701 17.831 -7.388 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.157 16.338 -6.647 1.00 0.00 H new ATOM 595 N LYS A 43 -2.398 16.639 -4.391 1.00 0.00 N ATOM 596 CA LYS A 43 -1.229 15.712 -4.415 1.00 0.00 C ATOM 597 C LYS A 43 -1.706 14.261 -4.296 1.00 0.00 C ATOM 598 O LYS A 43 -2.255 13.862 -3.286 1.00 0.00 O ATOM 599 CB LYS A 43 -0.388 16.100 -3.199 1.00 0.00 C ATOM 600 CG LYS A 43 0.150 17.520 -3.379 1.00 0.00 C ATOM 601 CD LYS A 43 -0.788 18.518 -2.691 1.00 0.00 C ATOM 602 CE LYS A 43 0.015 19.407 -1.738 1.00 0.00 C ATOM 603 NZ LYS A 43 -0.973 19.877 -0.727 1.00 0.00 N ATOM 0 H LYS A 43 -3.149 16.371 -3.754 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.661 15.787 -5.342 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.991 16.041 -2.293 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.439 15.400 -3.078 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.152 17.596 -2.956 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.233 17.756 -4.440 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.293 19.131 -3.437 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.562 17.984 -2.140 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.826 18.851 -1.268 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.468 20.245 -2.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.497 20.493 -0.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.730 20.409 -1.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.382 19.058 -0.235 1.00 0.00 H new ATOM 617 N GLU A 44 -1.504 13.470 -5.315 1.00 0.00 N ATOM 618 CA GLU A 44 -1.952 12.047 -5.257 1.00 0.00 C ATOM 619 C GLU A 44 -0.858 11.118 -5.792 1.00 0.00 C ATOM 620 O GLU A 44 -0.263 11.373 -6.821 1.00 0.00 O ATOM 621 CB GLU A 44 -3.187 11.983 -6.154 1.00 0.00 C ATOM 622 CG GLU A 44 -4.312 12.819 -5.539 1.00 0.00 C ATOM 623 CD GLU A 44 -5.657 12.139 -5.803 1.00 0.00 C ATOM 624 OE1 GLU A 44 -5.799 11.538 -6.856 1.00 0.00 O ATOM 625 OE2 GLU A 44 -6.522 12.231 -4.948 1.00 0.00 O ATOM 0 H GLU A 44 -1.049 13.746 -6.185 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.167 11.728 -4.237 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.946 12.356 -7.149 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.511 10.949 -6.271 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.153 12.929 -4.466 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.309 13.822 -5.966 1.00 0.00 H new ATOM 632 N GLU A 45 -0.598 10.038 -5.105 1.00 0.00 N ATOM 633 CA GLU A 45 0.449 9.084 -5.577 1.00 0.00 C ATOM 634 C GLU A 45 -0.146 8.137 -6.623 1.00 0.00 C ATOM 635 O GLU A 45 -1.320 7.821 -6.588 1.00 0.00 O ATOM 636 CB GLU A 45 0.883 8.312 -4.327 1.00 0.00 C ATOM 637 CG GLU A 45 -0.318 7.573 -3.727 1.00 0.00 C ATOM 638 CD GLU A 45 -0.466 7.946 -2.249 1.00 0.00 C ATOM 639 OE1 GLU A 45 -1.068 8.971 -1.976 1.00 0.00 O ATOM 640 OE2 GLU A 45 0.025 7.200 -1.418 1.00 0.00 O ATOM 0 H GLU A 45 -1.065 9.775 -4.237 1.00 0.00 H new ATOM 0 HA GLU A 45 1.293 9.590 -6.047 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.668 7.600 -4.583 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.303 8.999 -3.592 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.226 7.833 -4.271 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.183 6.496 -3.829 1.00 0.00 H new ATOM 647 N PHE A 46 0.649 7.687 -7.556 1.00 0.00 N ATOM 648 CA PHE A 46 0.120 6.769 -8.605 1.00 0.00 C ATOM 649 C PHE A 46 0.884 5.443 -8.596 1.00 0.00 C ATOM 650 O PHE A 46 2.064 5.395 -8.307 1.00 0.00 O ATOM 651 CB PHE A 46 0.353 7.502 -9.926 1.00 0.00 C ATOM 652 CG PHE A 46 -0.908 8.221 -10.340 1.00 0.00 C ATOM 653 CD1 PHE A 46 -1.239 9.446 -9.749 1.00 0.00 C ATOM 654 CD2 PHE A 46 -1.744 7.664 -11.316 1.00 0.00 C ATOM 655 CE1 PHE A 46 -2.407 10.114 -10.135 1.00 0.00 C ATOM 656 CE2 PHE A 46 -2.912 8.333 -11.702 1.00 0.00 C ATOM 657 CZ PHE A 46 -3.244 9.558 -11.110 1.00 0.00 C ATOM 0 H PHE A 46 1.640 7.915 -7.637 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.931 6.530 -8.443 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.170 8.215 -9.818 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.649 6.793 -10.699 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -0.594 9.875 -8.996 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.488 6.719 -11.771 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -2.663 11.060 -9.680 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -3.556 7.905 -12.456 1.00 0.00 H new ATOM 0 HZ PHE A 46 -4.146 10.074 -11.406 1.00 0.00 H new ATOM 667 N ALA A 47 0.220 4.370 -8.924 1.00 0.00 N ATOM 668 CA ALA A 47 0.902 3.045 -8.955 1.00 0.00 C ATOM 669 C ALA A 47 1.205 2.668 -10.405 1.00 0.00 C ATOM 670 O ALA A 47 0.326 2.658 -11.245 1.00 0.00 O ATOM 671 CB ALA A 47 -0.101 2.067 -8.340 1.00 0.00 C ATOM 0 H ALA A 47 -0.769 4.353 -9.173 1.00 0.00 H new ATOM 0 HA ALA A 47 1.847 3.042 -8.412 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.329 1.065 -8.327 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.332 2.376 -7.321 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.015 2.062 -8.934 1.00 0.00 H new ATOM 677 N VAL A 48 2.438 2.365 -10.712 1.00 0.00 N ATOM 678 CA VAL A 48 2.781 2.001 -12.113 1.00 0.00 C ATOM 679 C VAL A 48 3.829 0.886 -12.116 1.00 0.00 C ATOM 680 O VAL A 48 4.624 0.793 -11.202 1.00 0.00 O ATOM 681 CB VAL A 48 3.348 3.285 -12.728 1.00 0.00 C ATOM 682 CG1 VAL A 48 2.276 4.377 -12.705 1.00 0.00 C ATOM 683 CG2 VAL A 48 4.562 3.754 -11.920 1.00 0.00 C ATOM 0 H VAL A 48 3.218 2.354 -10.055 1.00 0.00 H new ATOM 0 HA VAL A 48 1.922 1.632 -12.674 1.00 0.00 H new ATOM 0 HB VAL A 48 3.651 3.087 -13.756 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.678 5.291 -13.142 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.411 4.049 -13.281 1.00 0.00 H new ATOM 0 HG13 VAL A 48 1.975 4.569 -11.675 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.962 4.667 -12.361 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.261 3.950 -10.891 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.329 2.979 -11.932 1.00 0.00 H new ATOM 693 N PRO A 49 3.801 0.071 -13.140 1.00 0.00 N ATOM 694 CA PRO A 49 4.769 -1.046 -13.237 1.00 0.00 C ATOM 695 C PRO A 49 6.180 -0.509 -13.466 1.00 0.00 C ATOM 696 O PRO A 49 6.432 0.213 -14.410 1.00 0.00 O ATOM 697 CB PRO A 49 4.274 -1.853 -14.435 1.00 0.00 C ATOM 698 CG PRO A 49 3.493 -0.879 -15.257 1.00 0.00 C ATOM 699 CD PRO A 49 2.891 0.111 -14.293 1.00 0.00 C ATOM 0 HA PRO A 49 4.825 -1.648 -12.330 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.106 -2.270 -15.002 1.00 0.00 H new ATOM 0 HB3 PRO A 49 3.653 -2.690 -14.118 1.00 0.00 H new ATOM 0 HG2 PRO A 49 4.137 -0.376 -15.978 1.00 0.00 H new ATOM 0 HG3 PRO A 49 2.715 -1.388 -15.826 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.837 1.110 -14.726 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.876 -0.170 -14.012 1.00 0.00 H new ATOM 707 N GLU A 50 7.094 -0.851 -12.589 1.00 0.00 N ATOM 708 CA GLU A 50 8.511 -0.372 -12.707 1.00 0.00 C ATOM 709 C GLU A 50 8.925 -0.175 -14.176 1.00 0.00 C ATOM 710 O GLU A 50 9.592 0.782 -14.517 1.00 0.00 O ATOM 711 CB GLU A 50 9.354 -1.472 -12.044 1.00 0.00 C ATOM 712 CG GLU A 50 9.378 -2.727 -12.925 1.00 0.00 C ATOM 713 CD GLU A 50 10.161 -3.836 -12.219 1.00 0.00 C ATOM 714 OE1 GLU A 50 11.082 -3.511 -11.487 1.00 0.00 O ATOM 715 OE2 GLU A 50 9.829 -4.992 -12.425 1.00 0.00 O ATOM 0 H GLU A 50 6.916 -1.451 -11.784 1.00 0.00 H new ATOM 0 HA GLU A 50 8.647 0.599 -12.231 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.370 -1.113 -11.882 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.942 -1.715 -11.064 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.360 -3.060 -13.129 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.838 -2.499 -13.887 1.00 0.00 H new ATOM 722 N ASN A 51 8.530 -1.068 -15.043 1.00 0.00 N ATOM 723 CA ASN A 51 8.902 -0.921 -16.481 1.00 0.00 C ATOM 724 C ASN A 51 7.851 -0.082 -17.214 1.00 0.00 C ATOM 725 O ASN A 51 7.346 -0.470 -18.249 1.00 0.00 O ATOM 726 CB ASN A 51 8.933 -2.347 -17.030 1.00 0.00 C ATOM 727 CG ASN A 51 9.934 -2.429 -18.183 1.00 0.00 C ATOM 728 OD1 ASN A 51 10.966 -3.056 -18.064 1.00 0.00 O ATOM 729 ND2 ASN A 51 9.671 -1.814 -19.304 1.00 0.00 N ATOM 0 H ASN A 51 7.968 -1.890 -14.820 1.00 0.00 H new ATOM 0 HA ASN A 51 9.859 -0.415 -16.612 1.00 0.00 H new ATOM 0 HB2 ASN A 51 9.213 -3.045 -16.241 1.00 0.00 H new ATOM 0 HB3 ASN A 51 7.940 -2.637 -17.375 1.00 0.00 H new ATOM 0 HD21 ASN A 51 10.333 -1.861 -20.079 1.00 0.00 H new ATOM 0 HD22 ASN A 51 8.804 -1.287 -19.405 1.00 0.00 H new ATOM 736 N SER A 52 7.520 1.065 -16.683 1.00 0.00 N ATOM 737 CA SER A 52 6.503 1.934 -17.345 1.00 0.00 C ATOM 738 C SER A 52 7.147 3.241 -17.814 1.00 0.00 C ATOM 739 O SER A 52 7.836 3.906 -17.067 1.00 0.00 O ATOM 740 CB SER A 52 5.457 2.210 -16.264 1.00 0.00 C ATOM 741 OG SER A 52 4.785 3.429 -16.555 1.00 0.00 O ATOM 0 H SER A 52 7.911 1.438 -15.818 1.00 0.00 H new ATOM 0 HA SER A 52 6.067 1.462 -18.226 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.741 1.390 -16.218 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.936 2.271 -15.287 1.00 0.00 H new ATOM 0 HG SER A 52 4.114 3.606 -15.863 1.00 0.00 H new ATOM 747 N SER A 53 6.920 3.616 -19.045 1.00 0.00 N ATOM 748 CA SER A 53 7.513 4.885 -19.559 1.00 0.00 C ATOM 749 C SER A 53 6.648 6.072 -19.132 1.00 0.00 C ATOM 750 O SER A 53 5.442 5.967 -19.031 1.00 0.00 O ATOM 751 CB SER A 53 7.511 4.737 -21.080 1.00 0.00 C ATOM 752 OG SER A 53 8.749 4.178 -21.500 1.00 0.00 O ATOM 0 H SER A 53 6.351 3.100 -19.716 1.00 0.00 H new ATOM 0 HA SER A 53 8.516 5.063 -19.172 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.685 4.098 -21.393 1.00 0.00 H new ATOM 0 HB3 SER A 53 7.359 5.708 -21.551 1.00 0.00 H new ATOM 0 HG SER A 53 8.750 4.080 -22.475 1.00 0.00 H new ATOM 758 N VAL A 54 7.254 7.201 -18.877 1.00 0.00 N ATOM 759 CA VAL A 54 6.460 8.390 -18.453 1.00 0.00 C ATOM 760 C VAL A 54 5.463 8.791 -19.538 1.00 0.00 C ATOM 761 O VAL A 54 4.393 9.255 -19.242 1.00 0.00 O ATOM 762 CB VAL A 54 7.463 9.513 -18.203 1.00 0.00 C ATOM 763 CG1 VAL A 54 6.706 10.773 -17.757 1.00 0.00 C ATOM 764 CG2 VAL A 54 8.440 9.084 -17.102 1.00 0.00 C ATOM 0 H VAL A 54 8.261 7.351 -18.944 1.00 0.00 H new ATOM 0 HA VAL A 54 5.881 8.173 -17.556 1.00 0.00 H new ATOM 0 HB VAL A 54 8.018 9.724 -19.117 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.417 11.580 -17.577 1.00 0.00 H new ATOM 0 HG12 VAL A 54 6.007 11.073 -18.538 1.00 0.00 H new ATOM 0 HG13 VAL A 54 6.156 10.562 -16.840 1.00 0.00 H new ATOM 0 HG21 VAL A 54 9.158 9.884 -16.921 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.887 8.878 -16.185 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.970 8.185 -17.416 1.00 0.00 H new ATOM 774 N GLN A 55 5.806 8.635 -20.790 1.00 0.00 N ATOM 775 CA GLN A 55 4.853 9.034 -21.875 1.00 0.00 C ATOM 776 C GLN A 55 3.459 8.444 -21.609 1.00 0.00 C ATOM 777 O GLN A 55 2.459 9.138 -21.666 1.00 0.00 O ATOM 778 CB GLN A 55 5.447 8.446 -23.157 1.00 0.00 C ATOM 779 CG GLN A 55 4.595 8.868 -24.354 1.00 0.00 C ATOM 780 CD GLN A 55 5.176 10.140 -24.974 1.00 0.00 C ATOM 781 OE1 GLN A 55 4.506 11.150 -25.057 1.00 0.00 O ATOM 782 NE2 GLN A 55 6.404 10.133 -25.415 1.00 0.00 N ATOM 0 H GLN A 55 6.696 8.252 -21.109 1.00 0.00 H new ATOM 0 HA GLN A 55 4.730 10.115 -21.937 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.473 8.792 -23.287 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.483 7.359 -23.088 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.570 8.069 -25.095 1.00 0.00 H new ATOM 0 HG3 GLN A 55 3.567 9.042 -24.038 1.00 0.00 H new ATOM 0 HE21 GLN A 55 6.966 9.285 -25.345 1.00 0.00 H new ATOM 0 HE22 GLN A 55 6.802 10.976 -25.830 1.00 0.00 H new ATOM 791 N GLN A 56 3.387 7.176 -21.303 1.00 0.00 N ATOM 792 CA GLN A 56 2.062 6.546 -21.020 1.00 0.00 C ATOM 793 C GLN A 56 1.498 7.078 -19.696 1.00 0.00 C ATOM 794 O GLN A 56 0.361 7.501 -19.619 1.00 0.00 O ATOM 795 CB GLN A 56 2.350 5.047 -20.916 1.00 0.00 C ATOM 796 CG GLN A 56 1.031 4.280 -20.802 1.00 0.00 C ATOM 797 CD GLN A 56 1.295 2.785 -20.986 1.00 0.00 C ATOM 798 OE1 GLN A 56 0.682 2.145 -21.818 1.00 0.00 O ATOM 799 NE2 GLN A 56 2.188 2.195 -20.241 1.00 0.00 N ATOM 0 H GLN A 56 4.188 6.548 -21.236 1.00 0.00 H new ATOM 0 HA GLN A 56 1.325 6.766 -21.792 1.00 0.00 H new ATOM 0 HB2 GLN A 56 2.904 4.711 -21.793 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.976 4.846 -20.047 1.00 0.00 H new ATOM 0 HG2 GLN A 56 0.574 4.463 -19.829 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.327 4.632 -21.556 1.00 0.00 H new ATOM 0 HE21 GLN A 56 2.703 2.730 -19.542 1.00 0.00 H new ATOM 0 HE22 GLN A 56 2.371 1.198 -20.357 1.00 0.00 H new ATOM 808 N PHE A 57 2.291 7.061 -18.657 1.00 0.00 N ATOM 809 CA PHE A 57 1.817 7.566 -17.333 1.00 0.00 C ATOM 810 C PHE A 57 1.409 9.040 -17.444 1.00 0.00 C ATOM 811 O PHE A 57 0.457 9.483 -16.828 1.00 0.00 O ATOM 812 CB PHE A 57 3.021 7.408 -16.399 1.00 0.00 C ATOM 813 CG PHE A 57 2.677 7.932 -15.026 1.00 0.00 C ATOM 814 CD1 PHE A 57 1.572 7.416 -14.337 1.00 0.00 C ATOM 815 CD2 PHE A 57 3.461 8.934 -14.442 1.00 0.00 C ATOM 816 CE1 PHE A 57 1.253 7.903 -13.064 1.00 0.00 C ATOM 817 CE2 PHE A 57 3.142 9.421 -13.169 1.00 0.00 C ATOM 818 CZ PHE A 57 2.037 8.905 -12.480 1.00 0.00 C ATOM 0 H PHE A 57 3.251 6.718 -18.668 1.00 0.00 H new ATOM 0 HA PHE A 57 0.944 7.024 -16.969 1.00 0.00 H new ATOM 0 HB2 PHE A 57 3.308 6.358 -16.336 1.00 0.00 H new ATOM 0 HB3 PHE A 57 3.878 7.949 -16.801 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.967 6.643 -14.787 1.00 0.00 H new ATOM 0 HD2 PHE A 57 4.313 9.332 -14.974 1.00 0.00 H new ATOM 0 HE1 PHE A 57 0.401 7.505 -12.532 1.00 0.00 H new ATOM 0 HE2 PHE A 57 3.747 10.194 -12.719 1.00 0.00 H new ATOM 0 HZ PHE A 57 1.790 9.280 -11.498 1.00 0.00 H new ATOM 828 N LYS A 58 2.130 9.797 -18.224 1.00 0.00 N ATOM 829 CA LYS A 58 1.807 11.242 -18.387 1.00 0.00 C ATOM 830 C LYS A 58 0.373 11.390 -18.896 1.00 0.00 C ATOM 831 O LYS A 58 -0.409 12.159 -18.372 1.00 0.00 O ATOM 832 CB LYS A 58 2.798 11.767 -19.429 1.00 0.00 C ATOM 833 CG LYS A 58 3.877 12.601 -18.735 1.00 0.00 C ATOM 834 CD LYS A 58 4.898 13.077 -19.770 1.00 0.00 C ATOM 835 CE LYS A 58 4.312 14.246 -20.564 1.00 0.00 C ATOM 836 NZ LYS A 58 5.487 15.072 -20.956 1.00 0.00 N ATOM 0 H LYS A 58 2.936 9.474 -18.760 1.00 0.00 H new ATOM 0 HA LYS A 58 1.884 11.792 -17.449 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.255 10.934 -19.963 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.276 12.373 -20.170 1.00 0.00 H new ATOM 0 HG2 LYS A 58 3.424 13.457 -18.235 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.372 12.008 -17.966 1.00 0.00 H new ATOM 0 HD2 LYS A 58 5.818 13.385 -19.274 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.157 12.260 -20.443 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.767 13.894 -21.440 1.00 0.00 H new ATOM 0 HE3 LYS A 58 3.609 14.820 -19.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.377 15.386 -21.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.551 15.902 -20.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.355 14.505 -20.868 1.00 0.00 H new ATOM 850 N GLU A 59 0.021 10.644 -19.911 1.00 0.00 N ATOM 851 CA GLU A 59 -1.368 10.725 -20.451 1.00 0.00 C ATOM 852 C GLU A 59 -2.369 10.305 -19.371 1.00 0.00 C ATOM 853 O GLU A 59 -3.515 10.714 -19.378 1.00 0.00 O ATOM 854 CB GLU A 59 -1.401 9.744 -21.624 1.00 0.00 C ATOM 855 CG GLU A 59 -1.288 10.516 -22.941 1.00 0.00 C ATOM 856 CD GLU A 59 -2.652 11.105 -23.307 1.00 0.00 C ATOM 857 OE1 GLU A 59 -3.617 10.360 -23.306 1.00 0.00 O ATOM 858 OE2 GLU A 59 -2.708 12.292 -23.583 1.00 0.00 O ATOM 0 H GLU A 59 0.634 9.983 -20.388 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.634 11.735 -20.764 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -0.582 9.030 -21.538 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.327 9.170 -21.605 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -0.550 11.312 -22.846 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -0.941 9.854 -23.734 1.00 0.00 H new ATOM 865 N ALA A 60 -1.942 9.493 -18.439 1.00 0.00 N ATOM 866 CA ALA A 60 -2.863 9.047 -17.352 1.00 0.00 C ATOM 867 C ALA A 60 -3.315 10.249 -16.522 1.00 0.00 C ATOM 868 O ALA A 60 -4.492 10.463 -16.314 1.00 0.00 O ATOM 869 CB ALA A 60 -2.038 8.083 -16.497 1.00 0.00 C ATOM 0 H ALA A 60 -0.995 9.119 -18.384 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.763 8.571 -17.743 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.649 7.712 -15.675 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.707 7.245 -17.110 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.169 8.605 -16.096 1.00 0.00 H new ATOM 875 N ILE A 61 -2.386 11.041 -16.050 1.00 0.00 N ATOM 876 CA ILE A 61 -2.766 12.235 -15.237 1.00 0.00 C ATOM 877 C ILE A 61 -3.635 13.176 -16.080 1.00 0.00 C ATOM 878 O ILE A 61 -4.590 13.748 -15.600 1.00 0.00 O ATOM 879 CB ILE A 61 -1.435 12.898 -14.853 1.00 0.00 C ATOM 880 CG1 ILE A 61 -0.811 12.126 -13.687 1.00 0.00 C ATOM 881 CG2 ILE A 61 -1.666 14.354 -14.424 1.00 0.00 C ATOM 882 CD1 ILE A 61 0.538 12.750 -13.318 1.00 0.00 C ATOM 0 H ILE A 61 -1.384 10.913 -16.192 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.347 11.977 -14.352 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.770 12.884 -15.716 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.479 12.146 -12.826 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.676 11.080 -13.962 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.713 14.810 -14.155 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.114 14.909 -15.248 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.335 14.378 -13.564 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.979 12.198 -12.488 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.206 12.707 -14.178 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.390 13.789 -13.025 1.00 0.00 H new ATOM 894 N SER A 62 -3.314 13.339 -17.332 1.00 0.00 N ATOM 895 CA SER A 62 -4.126 14.245 -18.196 1.00 0.00 C ATOM 896 C SER A 62 -5.607 13.853 -18.135 1.00 0.00 C ATOM 897 O SER A 62 -6.465 14.676 -17.887 1.00 0.00 O ATOM 898 CB SER A 62 -3.577 14.046 -19.608 1.00 0.00 C ATOM 899 OG SER A 62 -4.167 15.001 -20.478 1.00 0.00 O ATOM 0 H SER A 62 -2.526 12.886 -17.796 1.00 0.00 H new ATOM 0 HA SER A 62 -4.061 15.285 -17.876 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.493 14.157 -19.608 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.794 13.036 -19.956 1.00 0.00 H new ATOM 0 HG SER A 62 -3.463 15.496 -20.946 1.00 0.00 H new ATOM 905 N LYS A 63 -5.911 12.606 -18.371 1.00 0.00 N ATOM 906 CA LYS A 63 -7.337 12.162 -18.337 1.00 0.00 C ATOM 907 C LYS A 63 -7.909 12.213 -16.912 1.00 0.00 C ATOM 908 O LYS A 63 -8.940 12.811 -16.674 1.00 0.00 O ATOM 909 CB LYS A 63 -7.315 10.721 -18.852 1.00 0.00 C ATOM 910 CG LYS A 63 -8.501 10.492 -19.792 1.00 0.00 C ATOM 911 CD LYS A 63 -8.040 10.649 -21.244 1.00 0.00 C ATOM 912 CE LYS A 63 -9.216 10.378 -22.187 1.00 0.00 C ATOM 913 NZ LYS A 63 -8.684 9.426 -23.203 1.00 0.00 N ATOM 0 H LYS A 63 -5.234 11.874 -18.586 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.971 12.811 -18.941 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.380 10.526 -19.377 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.362 10.024 -18.015 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.915 9.496 -19.636 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.296 11.205 -19.572 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.654 11.655 -21.407 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.225 9.957 -21.454 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -10.062 9.950 -21.650 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.568 11.298 -22.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.433 9.192 -23.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.884 9.863 -23.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.363 8.557 -22.730 1.00 0.00 H new ATOM 927 N ARG A 64 -7.264 11.575 -15.968 1.00 0.00 N ATOM 928 CA ARG A 64 -7.795 11.577 -14.568 1.00 0.00 C ATOM 929 C ARG A 64 -7.619 12.947 -13.904 1.00 0.00 C ATOM 930 O ARG A 64 -8.562 13.529 -13.406 1.00 0.00 O ATOM 931 CB ARG A 64 -6.970 10.519 -13.833 1.00 0.00 C ATOM 932 CG ARG A 64 -7.644 9.152 -13.980 1.00 0.00 C ATOM 933 CD ARG A 64 -7.576 8.401 -12.649 1.00 0.00 C ATOM 934 NE ARG A 64 -8.552 7.284 -12.787 1.00 0.00 N ATOM 935 CZ ARG A 64 -8.465 6.240 -12.010 1.00 0.00 C ATOM 936 NH1 ARG A 64 -7.458 5.419 -12.130 1.00 0.00 N ATOM 937 NH2 ARG A 64 -9.386 6.017 -11.112 1.00 0.00 N ATOM 0 H ARG A 64 -6.397 11.055 -16.104 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.864 11.364 -14.545 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -5.959 10.484 -14.240 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.880 10.780 -12.779 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -8.683 9.278 -14.285 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -7.150 8.574 -14.761 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -6.571 8.025 -12.459 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.837 9.052 -11.815 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.289 7.336 -13.490 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -6.738 5.594 -12.832 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -7.390 4.603 -11.522 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -10.173 6.659 -11.018 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -9.319 5.201 -10.504 1.00 0.00 H new ATOM 951 N PHE A 65 -6.419 13.463 -13.888 1.00 0.00 N ATOM 952 CA PHE A 65 -6.185 14.794 -13.250 1.00 0.00 C ATOM 953 C PHE A 65 -6.869 15.899 -14.061 1.00 0.00 C ATOM 954 O PHE A 65 -7.381 16.856 -13.513 1.00 0.00 O ATOM 955 CB PHE A 65 -4.666 14.982 -13.241 1.00 0.00 C ATOM 956 CG PHE A 65 -4.212 15.392 -11.860 1.00 0.00 C ATOM 957 CD1 PHE A 65 -4.781 16.510 -11.237 1.00 0.00 C ATOM 958 CD2 PHE A 65 -3.224 14.651 -11.201 1.00 0.00 C ATOM 959 CE1 PHE A 65 -4.360 16.887 -9.956 1.00 0.00 C ATOM 960 CE2 PHE A 65 -2.803 15.028 -9.920 1.00 0.00 C ATOM 961 CZ PHE A 65 -3.371 16.145 -9.298 1.00 0.00 C ATOM 0 H PHE A 65 -5.591 13.022 -14.288 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.598 14.843 -12.242 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -4.173 14.055 -13.536 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -4.379 15.741 -13.969 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.544 17.081 -11.745 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -2.786 13.788 -11.681 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.798 17.750 -9.476 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -2.040 14.457 -9.412 1.00 0.00 H new ATOM 0 HZ PHE A 65 -3.047 16.435 -8.310 1.00 0.00 H new ATOM 971 N LYS A 66 -6.872 15.776 -15.367 1.00 0.00 N ATOM 972 CA LYS A 66 -7.513 16.815 -16.235 1.00 0.00 C ATOM 973 C LYS A 66 -6.703 18.114 -16.191 1.00 0.00 C ATOM 974 O LYS A 66 -7.038 19.042 -15.481 1.00 0.00 O ATOM 975 CB LYS A 66 -8.919 17.032 -15.664 1.00 0.00 C ATOM 976 CG LYS A 66 -9.882 17.398 -16.795 1.00 0.00 C ATOM 977 CD LYS A 66 -11.274 16.838 -16.485 1.00 0.00 C ATOM 978 CE LYS A 66 -12.334 17.902 -16.779 1.00 0.00 C ATOM 979 NZ LYS A 66 -12.291 18.089 -18.256 1.00 0.00 N ATOM 0 H LYS A 66 -6.455 14.995 -15.873 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.555 16.500 -17.278 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.261 16.128 -15.160 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -8.901 17.826 -14.917 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -9.931 18.481 -16.908 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -9.519 16.995 -17.740 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -11.461 15.948 -17.086 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -11.330 16.534 -15.440 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -13.321 17.577 -16.451 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -12.115 18.833 -16.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -13.172 18.540 -18.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -11.483 18.694 -18.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -12.188 17.164 -18.720 1.00 0.00 H new ATOM 993 N SER A 67 -5.640 18.182 -16.946 1.00 0.00 N ATOM 994 CA SER A 67 -4.802 19.416 -16.955 1.00 0.00 C ATOM 995 C SER A 67 -4.072 19.548 -18.295 1.00 0.00 C ATOM 996 O SER A 67 -4.373 20.415 -19.093 1.00 0.00 O ATOM 997 CB SER A 67 -3.804 19.224 -15.815 1.00 0.00 C ATOM 998 OG SER A 67 -2.708 20.111 -15.995 1.00 0.00 O ATOM 0 H SER A 67 -5.315 17.434 -17.559 1.00 0.00 H new ATOM 0 HA SER A 67 -5.396 20.321 -16.827 1.00 0.00 H new ATOM 0 HB2 SER A 67 -4.288 19.415 -14.857 1.00 0.00 H new ATOM 0 HB3 SER A 67 -3.452 18.193 -15.794 1.00 0.00 H new ATOM 0 HG SER A 67 -2.241 20.231 -15.142 1.00 0.00 H new ATOM 1004 N GLN A 68 -3.115 18.694 -18.548 1.00 0.00 N ATOM 1005 CA GLN A 68 -2.365 18.770 -19.838 1.00 0.00 C ATOM 1006 C GLN A 68 -1.587 17.473 -20.078 1.00 0.00 C ATOM 1007 O GLN A 68 -1.698 16.524 -19.326 1.00 0.00 O ATOM 1008 CB GLN A 68 -1.407 19.950 -19.671 1.00 0.00 C ATOM 1009 CG GLN A 68 -1.986 21.180 -20.371 1.00 0.00 C ATOM 1010 CD GLN A 68 -0.845 22.057 -20.891 1.00 0.00 C ATOM 1011 OE1 GLN A 68 -0.066 22.581 -20.121 1.00 0.00 O ATOM 1012 NE2 GLN A 68 -0.713 22.239 -22.176 1.00 0.00 N ATOM 0 H GLN A 68 -2.820 17.948 -17.918 1.00 0.00 H new ATOM 0 HA GLN A 68 -3.028 18.902 -20.693 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -1.253 20.160 -18.613 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -0.433 19.704 -20.093 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -2.628 20.873 -21.197 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -2.608 21.747 -19.678 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -1.367 21.799 -22.823 1.00 0.00 H new ATOM 0 HE22 GLN A 68 0.044 22.821 -22.533 1.00 0.00 H new ATOM 1021 N THR A 69 -0.802 17.424 -21.123 1.00 0.00 N ATOM 1022 CA THR A 69 -0.019 16.186 -21.413 1.00 0.00 C ATOM 1023 C THR A 69 1.352 16.543 -21.995 1.00 0.00 C ATOM 1024 O THR A 69 2.379 16.207 -21.438 1.00 0.00 O ATOM 1025 CB THR A 69 -0.855 15.423 -22.442 1.00 0.00 C ATOM 1026 OG1 THR A 69 -2.167 15.229 -21.933 1.00 0.00 O ATOM 1027 CG2 THR A 69 -0.208 14.066 -22.723 1.00 0.00 C ATOM 0 H THR A 69 -0.669 18.187 -21.787 1.00 0.00 H new ATOM 0 HA THR A 69 0.165 15.597 -20.515 1.00 0.00 H new ATOM 0 HB THR A 69 -0.905 15.997 -23.368 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.705 14.741 -22.591 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.805 13.523 -23.456 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.798 14.217 -23.114 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.156 13.489 -21.799 1.00 0.00 H new ATOM 1035 N ASP A 70 1.377 17.219 -23.113 1.00 0.00 N ATOM 1036 CA ASP A 70 2.684 17.594 -23.732 1.00 0.00 C ATOM 1037 C ASP A 70 3.479 18.497 -22.784 1.00 0.00 C ATOM 1038 O ASP A 70 4.565 18.159 -22.357 1.00 0.00 O ATOM 1039 CB ASP A 70 2.320 18.347 -25.012 1.00 0.00 C ATOM 1040 CG ASP A 70 2.324 17.376 -26.194 1.00 0.00 C ATOM 1041 OD1 ASP A 70 3.339 16.730 -26.399 1.00 0.00 O ATOM 1042 OD2 ASP A 70 1.315 17.294 -26.874 1.00 0.00 O ATOM 0 H ASP A 70 0.550 17.528 -23.625 1.00 0.00 H new ATOM 0 HA ASP A 70 3.306 16.723 -23.938 1.00 0.00 H new ATOM 0 HB2 ASP A 70 1.337 18.807 -24.909 1.00 0.00 H new ATOM 0 HB3 ASP A 70 3.032 19.153 -25.187 1.00 0.00 H new ATOM 1047 N GLN A 71 2.943 19.642 -22.452 1.00 0.00 N ATOM 1048 CA GLN A 71 3.667 20.565 -21.529 1.00 0.00 C ATOM 1049 C GLN A 71 3.773 19.940 -20.135 1.00 0.00 C ATOM 1050 O GLN A 71 4.665 20.253 -19.371 1.00 0.00 O ATOM 1051 CB GLN A 71 2.815 21.835 -21.485 1.00 0.00 C ATOM 1052 CG GLN A 71 2.783 22.477 -22.874 1.00 0.00 C ATOM 1053 CD GLN A 71 4.164 23.047 -23.206 1.00 0.00 C ATOM 1054 OE1 GLN A 71 4.467 24.172 -22.865 1.00 0.00 O ATOM 1055 NE2 GLN A 71 5.019 22.312 -23.864 1.00 0.00 N ATOM 0 H GLN A 71 2.037 19.977 -22.779 1.00 0.00 H new ATOM 0 HA GLN A 71 4.684 20.770 -21.864 1.00 0.00 H new ATOM 0 HB2 GLN A 71 1.803 21.595 -21.160 1.00 0.00 H new ATOM 0 HB3 GLN A 71 3.225 22.536 -20.758 1.00 0.00 H new ATOM 0 HG2 GLN A 71 2.494 21.738 -23.621 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.035 23.269 -22.903 1.00 0.00 H new ATOM 0 HE21 GLN A 71 4.765 21.367 -24.151 1.00 0.00 H new ATOM 0 HE22 GLN A 71 5.942 22.683 -24.092 1.00 0.00 H new ATOM 1064 N LEU A 72 2.865 19.062 -19.797 1.00 0.00 N ATOM 1065 CA LEU A 72 2.903 18.413 -18.451 1.00 0.00 C ATOM 1066 C LEU A 72 4.288 17.815 -18.177 1.00 0.00 C ATOM 1067 O LEU A 72 4.795 17.018 -18.942 1.00 0.00 O ATOM 1068 CB LEU A 72 1.848 17.308 -18.512 1.00 0.00 C ATOM 1069 CG LEU A 72 1.721 16.645 -17.139 1.00 0.00 C ATOM 1070 CD1 LEU A 72 1.086 17.627 -16.153 1.00 0.00 C ATOM 1071 CD2 LEU A 72 0.839 15.399 -17.256 1.00 0.00 C ATOM 0 H LEU A 72 2.096 18.765 -20.397 1.00 0.00 H new ATOM 0 HA LEU A 72 2.706 19.126 -17.651 1.00 0.00 H new ATOM 0 HB2 LEU A 72 0.888 17.724 -18.817 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.126 16.567 -19.261 1.00 0.00 H new ATOM 0 HG LEU A 72 2.710 16.360 -16.780 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.996 17.154 -15.175 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.712 18.515 -16.070 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.097 17.913 -16.510 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.747 14.925 -16.279 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.150 15.685 -17.615 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.291 14.698 -17.958 1.00 0.00 H new ATOM 1083 N VAL A 73 4.899 18.197 -17.088 1.00 0.00 N ATOM 1084 CA VAL A 73 6.249 17.655 -16.749 1.00 0.00 C ATOM 1085 C VAL A 73 6.456 17.692 -15.232 1.00 0.00 C ATOM 1086 O VAL A 73 5.816 18.453 -14.532 1.00 0.00 O ATOM 1087 CB VAL A 73 7.239 18.584 -17.457 1.00 0.00 C ATOM 1088 CG1 VAL A 73 7.057 20.018 -16.952 1.00 0.00 C ATOM 1089 CG2 VAL A 73 8.670 18.122 -17.168 1.00 0.00 C ATOM 0 H VAL A 73 4.521 18.864 -16.415 1.00 0.00 H new ATOM 0 HA VAL A 73 6.376 16.619 -17.063 1.00 0.00 H new ATOM 0 HB VAL A 73 7.054 18.553 -18.531 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.764 20.675 -17.459 1.00 0.00 H new ATOM 0 HG12 VAL A 73 6.040 20.350 -17.159 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.238 20.051 -15.878 1.00 0.00 H new ATOM 0 HG21 VAL A 73 9.375 18.783 -17.672 1.00 0.00 H new ATOM 0 HG22 VAL A 73 8.851 18.150 -16.094 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.804 17.104 -17.532 1.00 0.00 H new ATOM 1099 N LEU A 74 7.337 16.875 -14.716 1.00 0.00 N ATOM 1100 CA LEU A 74 7.567 16.872 -13.243 1.00 0.00 C ATOM 1101 C LEU A 74 9.044 17.133 -12.940 1.00 0.00 C ATOM 1102 O LEU A 74 9.919 16.435 -13.412 1.00 0.00 O ATOM 1103 CB LEU A 74 7.149 15.477 -12.779 1.00 0.00 C ATOM 1104 CG LEU A 74 5.726 15.178 -13.256 1.00 0.00 C ATOM 1105 CD1 LEU A 74 5.787 14.338 -14.533 1.00 0.00 C ATOM 1106 CD2 LEU A 74 4.976 14.401 -12.171 1.00 0.00 C ATOM 0 H LEU A 74 7.903 16.214 -15.248 1.00 0.00 H new ATOM 0 HA LEU A 74 7.002 17.651 -12.731 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.839 14.731 -13.173 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.199 15.415 -11.692 1.00 0.00 H new ATOM 0 HG LEU A 74 5.205 16.114 -13.458 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.775 14.123 -14.876 1.00 0.00 H new ATOM 0 HD12 LEU A 74 6.322 14.889 -15.306 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.307 13.402 -14.328 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.962 14.188 -12.511 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.495 13.464 -11.969 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.935 14.997 -11.259 1.00 0.00 H new ATOM 1118 N ILE A 75 9.322 18.142 -12.161 1.00 0.00 N ATOM 1119 CA ILE A 75 10.739 18.470 -11.825 1.00 0.00 C ATOM 1120 C ILE A 75 11.264 17.536 -10.733 1.00 0.00 C ATOM 1121 O ILE A 75 10.940 17.681 -9.569 1.00 0.00 O ATOM 1122 CB ILE A 75 10.702 19.916 -11.316 1.00 0.00 C ATOM 1123 CG1 ILE A 75 10.048 20.820 -12.369 1.00 0.00 C ATOM 1124 CG2 ILE A 75 12.128 20.400 -11.040 1.00 0.00 C ATOM 1125 CD1 ILE A 75 10.807 20.707 -13.693 1.00 0.00 C ATOM 0 H ILE A 75 8.626 18.757 -11.740 1.00 0.00 H new ATOM 0 HA ILE A 75 11.399 18.352 -12.684 1.00 0.00 H new ATOM 0 HB ILE A 75 10.120 19.957 -10.395 1.00 0.00 H new ATOM 0 HG12 ILE A 75 9.006 20.533 -12.511 1.00 0.00 H new ATOM 0 HG13 ILE A 75 10.050 21.854 -12.025 1.00 0.00 H new ATOM 0 HG21 ILE A 75 12.100 21.428 -10.678 1.00 0.00 H new ATOM 0 HG22 ILE A 75 12.589 19.762 -10.286 1.00 0.00 H new ATOM 0 HG23 ILE A 75 12.712 20.355 -11.959 1.00 0.00 H new ATOM 0 HD11 ILE A 75 10.338 21.351 -14.437 1.00 0.00 H new ATOM 0 HD12 ILE A 75 11.842 21.015 -13.546 1.00 0.00 H new ATOM 0 HD13 ILE A 75 10.782 19.674 -14.040 1.00 0.00 H new ATOM 1137 N PHE A 76 12.077 16.583 -11.101 1.00 0.00 N ATOM 1138 CA PHE A 76 12.635 15.639 -10.085 1.00 0.00 C ATOM 1139 C PHE A 76 13.647 16.366 -9.193 1.00 0.00 C ATOM 1140 O PHE A 76 14.830 16.087 -9.224 1.00 0.00 O ATOM 1141 CB PHE A 76 13.333 14.543 -10.892 1.00 0.00 C ATOM 1142 CG PHE A 76 13.786 13.447 -9.957 1.00 0.00 C ATOM 1143 CD1 PHE A 76 12.840 12.684 -9.261 1.00 0.00 C ATOM 1144 CD2 PHE A 76 15.153 13.198 -9.781 1.00 0.00 C ATOM 1145 CE1 PHE A 76 13.262 11.672 -8.390 1.00 0.00 C ATOM 1146 CE2 PHE A 76 15.574 12.186 -8.912 1.00 0.00 C ATOM 1147 CZ PHE A 76 14.628 11.423 -8.215 1.00 0.00 C ATOM 0 H PHE A 76 12.380 16.416 -12.060 1.00 0.00 H new ATOM 0 HA PHE A 76 11.861 15.233 -9.434 1.00 0.00 H new ATOM 0 HB2 PHE A 76 12.653 14.139 -11.642 1.00 0.00 H new ATOM 0 HB3 PHE A 76 14.188 14.957 -11.426 1.00 0.00 H new ATOM 0 HD1 PHE A 76 11.786 12.876 -9.396 1.00 0.00 H new ATOM 0 HD2 PHE A 76 15.882 13.788 -10.316 1.00 0.00 H new ATOM 0 HE1 PHE A 76 12.533 11.083 -7.853 1.00 0.00 H new ATOM 0 HE2 PHE A 76 16.628 11.993 -8.778 1.00 0.00 H new ATOM 0 HZ PHE A 76 14.953 10.643 -7.543 1.00 0.00 H new ATOM 1157 N ALA A 77 13.190 17.298 -8.397 1.00 0.00 N ATOM 1158 CA ALA A 77 14.120 18.049 -7.499 1.00 0.00 C ATOM 1159 C ALA A 77 15.284 18.641 -8.302 1.00 0.00 C ATOM 1160 O ALA A 77 16.350 18.891 -7.774 1.00 0.00 O ATOM 1161 CB ALA A 77 14.634 17.013 -6.496 1.00 0.00 C ATOM 0 H ALA A 77 12.210 17.573 -8.330 1.00 0.00 H new ATOM 0 HA ALA A 77 13.622 18.883 -7.005 1.00 0.00 H new ATOM 0 HB1 ALA A 77 15.325 17.491 -5.801 1.00 0.00 H new ATOM 0 HB2 ALA A 77 13.794 16.595 -5.942 1.00 0.00 H new ATOM 0 HB3 ALA A 77 15.150 16.215 -7.030 1.00 0.00 H new ATOM 1167 N GLY A 78 15.087 18.868 -9.575 1.00 0.00 N ATOM 1168 CA GLY A 78 16.180 19.445 -10.409 1.00 0.00 C ATOM 1169 C GLY A 78 16.195 18.770 -11.782 1.00 0.00 C ATOM 1170 O GLY A 78 16.412 19.408 -12.794 1.00 0.00 O ATOM 0 H GLY A 78 14.216 18.678 -10.072 1.00 0.00 H new ATOM 0 HA2 GLY A 78 16.034 20.519 -10.523 1.00 0.00 H new ATOM 0 HA3 GLY A 78 17.141 19.304 -9.914 1.00 0.00 H new ATOM 1174 N LYS A 79 15.968 17.485 -11.826 1.00 0.00 N ATOM 1175 CA LYS A 79 15.972 16.768 -13.135 1.00 0.00 C ATOM 1176 C LYS A 79 14.617 16.930 -13.833 1.00 0.00 C ATOM 1177 O LYS A 79 13.842 17.808 -13.507 1.00 0.00 O ATOM 1178 CB LYS A 79 16.228 15.299 -12.785 1.00 0.00 C ATOM 1179 CG LYS A 79 17.617 14.882 -13.280 1.00 0.00 C ATOM 1180 CD LYS A 79 18.413 14.267 -12.125 1.00 0.00 C ATOM 1181 CE LYS A 79 18.666 15.330 -11.054 1.00 0.00 C ATOM 1182 NZ LYS A 79 20.045 15.826 -11.321 1.00 0.00 N ATOM 0 H LYS A 79 15.780 16.900 -11.012 1.00 0.00 H new ATOM 0 HA LYS A 79 16.727 17.159 -13.817 1.00 0.00 H new ATOM 0 HB2 LYS A 79 16.158 15.155 -11.707 1.00 0.00 H new ATOM 0 HB3 LYS A 79 15.465 14.669 -13.241 1.00 0.00 H new ATOM 0 HG2 LYS A 79 17.523 14.163 -14.093 1.00 0.00 H new ATOM 0 HG3 LYS A 79 18.146 15.747 -13.679 1.00 0.00 H new ATOM 0 HD2 LYS A 79 17.864 13.428 -11.697 1.00 0.00 H new ATOM 0 HD3 LYS A 79 19.361 13.873 -12.492 1.00 0.00 H new ATOM 0 HE2 LYS A 79 17.937 16.137 -11.119 1.00 0.00 H new ATOM 0 HE3 LYS A 79 18.585 14.908 -10.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 20.291 16.559 -10.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 20.718 15.037 -11.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 20.090 16.228 -12.279 1.00 0.00 H new ATOM 1196 N ILE A 80 14.331 16.090 -14.793 1.00 0.00 N ATOM 1197 CA ILE A 80 13.028 16.193 -15.518 1.00 0.00 C ATOM 1198 C ILE A 80 12.259 14.874 -15.433 1.00 0.00 C ATOM 1199 O ILE A 80 12.316 14.058 -16.332 1.00 0.00 O ATOM 1200 CB ILE A 80 13.361 16.508 -16.988 1.00 0.00 C ATOM 1201 CG1 ILE A 80 14.763 15.999 -17.364 1.00 0.00 C ATOM 1202 CG2 ILE A 80 13.302 18.021 -17.209 1.00 0.00 C ATOM 1203 CD1 ILE A 80 14.783 14.470 -17.332 1.00 0.00 C ATOM 0 H ILE A 80 14.943 15.337 -15.107 1.00 0.00 H new ATOM 0 HA ILE A 80 12.403 16.969 -15.076 1.00 0.00 H new ATOM 0 HB ILE A 80 12.629 16.003 -17.618 1.00 0.00 H new ATOM 0 HG12 ILE A 80 15.035 16.355 -18.358 1.00 0.00 H new ATOM 0 HG13 ILE A 80 15.503 16.396 -16.669 1.00 0.00 H new ATOM 0 HG21 ILE A 80 13.537 18.246 -18.249 1.00 0.00 H new ATOM 0 HG22 ILE A 80 12.301 18.384 -16.977 1.00 0.00 H new ATOM 0 HG23 ILE A 80 14.026 18.512 -16.559 1.00 0.00 H new ATOM 0 HD11 ILE A 80 15.778 14.113 -17.599 1.00 0.00 H new ATOM 0 HD12 ILE A 80 14.530 14.124 -16.330 1.00 0.00 H new ATOM 0 HD13 ILE A 80 14.055 14.082 -18.044 1.00 0.00 H new ATOM 1215 N LEU A 81 11.520 14.666 -14.377 1.00 0.00 N ATOM 1216 CA LEU A 81 10.736 13.405 -14.271 1.00 0.00 C ATOM 1217 C LEU A 81 9.636 13.420 -15.330 1.00 0.00 C ATOM 1218 O LEU A 81 8.511 13.807 -15.071 1.00 0.00 O ATOM 1219 CB LEU A 81 10.141 13.410 -12.861 1.00 0.00 C ATOM 1220 CG LEU A 81 9.540 12.038 -12.549 1.00 0.00 C ATOM 1221 CD1 LEU A 81 9.719 11.730 -11.062 1.00 0.00 C ATOM 1222 CD2 LEU A 81 8.047 12.042 -12.887 1.00 0.00 C ATOM 0 H LEU A 81 11.426 15.309 -13.591 1.00 0.00 H new ATOM 0 HA LEU A 81 11.340 12.513 -14.433 1.00 0.00 H new ATOM 0 HB2 LEU A 81 10.913 13.654 -12.131 1.00 0.00 H new ATOM 0 HB3 LEU A 81 9.374 14.180 -12.783 1.00 0.00 H new ATOM 0 HG LEU A 81 10.046 11.279 -13.145 1.00 0.00 H new ATOM 0 HD11 LEU A 81 9.291 10.753 -10.839 1.00 0.00 H new ATOM 0 HD12 LEU A 81 10.781 11.726 -10.817 1.00 0.00 H new ATOM 0 HD13 LEU A 81 9.213 12.492 -10.469 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.621 11.064 -12.664 1.00 0.00 H new ATOM 0 HD22 LEU A 81 7.541 12.802 -12.292 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.914 12.263 -13.946 1.00 0.00 H new ATOM 1234 N LYS A 82 9.960 13.021 -16.530 1.00 0.00 N ATOM 1235 CA LYS A 82 8.943 13.023 -17.617 1.00 0.00 C ATOM 1236 C LYS A 82 9.302 11.974 -18.679 1.00 0.00 C ATOM 1237 O LYS A 82 9.843 10.932 -18.372 1.00 0.00 O ATOM 1238 CB LYS A 82 8.977 14.445 -18.191 1.00 0.00 C ATOM 1239 CG LYS A 82 10.387 14.773 -18.695 1.00 0.00 C ATOM 1240 CD LYS A 82 10.305 15.387 -20.098 1.00 0.00 C ATOM 1241 CE LYS A 82 11.028 16.737 -20.112 1.00 0.00 C ATOM 1242 NZ LYS A 82 10.272 17.567 -21.092 1.00 0.00 N ATOM 0 H LYS A 82 10.886 12.694 -16.804 1.00 0.00 H new ATOM 0 HA LYS A 82 7.946 12.766 -17.260 1.00 0.00 H new ATOM 0 HB2 LYS A 82 8.260 14.534 -19.007 1.00 0.00 H new ATOM 0 HB3 LYS A 82 8.679 15.162 -17.426 1.00 0.00 H new ATOM 0 HG2 LYS A 82 10.875 15.468 -18.012 1.00 0.00 H new ATOM 0 HG3 LYS A 82 10.995 13.868 -18.718 1.00 0.00 H new ATOM 0 HD2 LYS A 82 10.756 14.714 -20.827 1.00 0.00 H new ATOM 0 HD3 LYS A 82 9.263 15.519 -20.388 1.00 0.00 H new ATOM 0 HE2 LYS A 82 11.028 17.195 -19.123 1.00 0.00 H new ATOM 0 HE3 LYS A 82 12.070 16.624 -20.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 10.707 18.509 -21.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 10.295 17.109 -22.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 9.285 17.663 -20.778 1.00 0.00 H new ATOM 1256 N ASP A 83 8.995 12.233 -19.923 1.00 0.00 N ATOM 1257 CA ASP A 83 9.302 11.236 -20.994 1.00 0.00 C ATOM 1258 C ASP A 83 10.807 11.173 -21.284 1.00 0.00 C ATOM 1259 O ASP A 83 11.287 10.244 -21.904 1.00 0.00 O ATOM 1260 CB ASP A 83 8.531 11.722 -22.222 1.00 0.00 C ATOM 1261 CG ASP A 83 8.995 13.132 -22.601 1.00 0.00 C ATOM 1262 OD1 ASP A 83 9.990 13.239 -23.298 1.00 0.00 O ATOM 1263 OD2 ASP A 83 8.345 14.079 -22.189 1.00 0.00 O ATOM 0 H ASP A 83 8.546 13.090 -20.245 1.00 0.00 H new ATOM 0 HA ASP A 83 9.012 10.228 -20.699 1.00 0.00 H new ATOM 0 HB2 ASP A 83 8.691 11.040 -23.057 1.00 0.00 H new ATOM 0 HB3 ASP A 83 7.461 11.725 -22.013 1.00 0.00 H new ATOM 1268 N GLN A 84 11.555 12.147 -20.841 1.00 0.00 N ATOM 1269 CA GLN A 84 13.028 12.135 -21.094 1.00 0.00 C ATOM 1270 C GLN A 84 13.639 10.814 -20.609 1.00 0.00 C ATOM 1271 O GLN A 84 14.584 10.311 -21.185 1.00 0.00 O ATOM 1272 CB GLN A 84 13.583 13.313 -20.291 1.00 0.00 C ATOM 1273 CG GLN A 84 13.966 14.448 -21.242 1.00 0.00 C ATOM 1274 CD GLN A 84 15.409 14.257 -21.714 1.00 0.00 C ATOM 1275 OE1 GLN A 84 16.337 14.405 -20.944 1.00 0.00 O ATOM 1276 NE2 GLN A 84 15.638 13.933 -22.957 1.00 0.00 N ATOM 0 H GLN A 84 11.212 12.951 -20.315 1.00 0.00 H new ATOM 0 HA GLN A 84 13.264 12.222 -22.155 1.00 0.00 H new ATOM 0 HB2 GLN A 84 12.838 13.661 -19.575 1.00 0.00 H new ATOM 0 HB3 GLN A 84 14.454 12.997 -19.717 1.00 0.00 H new ATOM 0 HG2 GLN A 84 13.291 14.462 -22.098 1.00 0.00 H new ATOM 0 HG3 GLN A 84 13.862 15.409 -20.738 1.00 0.00 H new ATOM 0 HE21 GLN A 84 14.859 13.809 -23.603 1.00 0.00 H new ATOM 0 HE22 GLN A 84 16.596 13.804 -23.282 1.00 0.00 H new ATOM 1285 N ASP A 85 13.106 10.254 -19.556 1.00 0.00 N ATOM 1286 CA ASP A 85 13.655 8.967 -19.034 1.00 0.00 C ATOM 1287 C ASP A 85 12.545 8.156 -18.360 1.00 0.00 C ATOM 1288 O ASP A 85 11.379 8.484 -18.458 1.00 0.00 O ATOM 1289 CB ASP A 85 14.717 9.373 -18.013 1.00 0.00 C ATOM 1290 CG ASP A 85 16.089 9.410 -18.689 1.00 0.00 C ATOM 1291 OD1 ASP A 85 16.371 8.510 -19.463 1.00 0.00 O ATOM 1292 OD2 ASP A 85 16.835 10.338 -18.421 1.00 0.00 O ATOM 0 H ASP A 85 12.315 10.631 -19.034 1.00 0.00 H new ATOM 0 HA ASP A 85 14.070 8.343 -19.826 1.00 0.00 H new ATOM 0 HB2 ASP A 85 14.479 10.351 -17.595 1.00 0.00 H new ATOM 0 HB3 ASP A 85 14.728 8.666 -17.183 1.00 0.00 H new ATOM 1297 N THR A 86 12.899 7.101 -17.676 1.00 0.00 N ATOM 1298 CA THR A 86 11.865 6.270 -16.993 1.00 0.00 C ATOM 1299 C THR A 86 11.855 6.568 -15.492 1.00 0.00 C ATOM 1300 O THR A 86 12.823 7.055 -14.940 1.00 0.00 O ATOM 1301 CB THR A 86 12.281 4.819 -17.252 1.00 0.00 C ATOM 1302 OG1 THR A 86 13.698 4.716 -17.196 1.00 0.00 O ATOM 1303 CG2 THR A 86 11.789 4.385 -18.633 1.00 0.00 C ATOM 0 H THR A 86 13.860 6.779 -17.561 1.00 0.00 H new ATOM 0 HA THR A 86 10.861 6.475 -17.364 1.00 0.00 H new ATOM 0 HB THR A 86 11.840 4.173 -16.493 1.00 0.00 H new ATOM 0 HG1 THR A 86 13.958 3.771 -17.200 1.00 0.00 H new ATOM 0 HG21 THR A 86 12.085 3.352 -18.817 1.00 0.00 H new ATOM 0 HG22 THR A 86 10.703 4.463 -18.673 1.00 0.00 H new ATOM 0 HG23 THR A 86 12.228 5.029 -19.395 1.00 0.00 H new ATOM 1311 N LEU A 87 10.767 6.281 -14.828 1.00 0.00 N ATOM 1312 CA LEU A 87 10.692 6.550 -13.362 1.00 0.00 C ATOM 1313 C LEU A 87 11.674 5.653 -12.606 1.00 0.00 C ATOM 1314 O LEU A 87 12.404 6.107 -11.748 1.00 0.00 O ATOM 1315 CB LEU A 87 9.248 6.232 -12.969 1.00 0.00 C ATOM 1316 CG LEU A 87 8.644 7.429 -12.226 1.00 0.00 C ATOM 1317 CD1 LEU A 87 8.603 8.648 -13.152 1.00 0.00 C ATOM 1318 CD2 LEU A 87 7.224 7.081 -11.767 1.00 0.00 C ATOM 0 H LEU A 87 9.927 5.872 -15.237 1.00 0.00 H new ATOM 0 HA LEU A 87 10.958 7.579 -13.118 1.00 0.00 H new ATOM 0 HB2 LEU A 87 8.659 6.008 -13.858 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.219 5.345 -12.336 1.00 0.00 H new ATOM 0 HG LEU A 87 9.259 7.662 -11.357 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.173 9.496 -12.619 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.615 8.896 -13.472 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.992 8.421 -14.026 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.794 7.932 -11.239 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.609 6.844 -12.635 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.258 6.219 -11.100 1.00 0.00 H new ATOM 1330 N ILE A 88 11.704 4.387 -12.921 1.00 0.00 N ATOM 1331 CA ILE A 88 12.648 3.468 -12.218 1.00 0.00 C ATOM 1332 C ILE A 88 14.098 3.863 -12.507 1.00 0.00 C ATOM 1333 O ILE A 88 15.010 3.453 -11.815 1.00 0.00 O ATOM 1334 CB ILE A 88 12.369 2.076 -12.786 1.00 0.00 C ATOM 1335 CG1 ILE A 88 12.412 2.122 -14.319 1.00 0.00 C ATOM 1336 CG2 ILE A 88 10.990 1.603 -12.324 1.00 0.00 C ATOM 1337 CD1 ILE A 88 13.175 0.907 -14.850 1.00 0.00 C ATOM 0 H ILE A 88 11.118 3.949 -13.632 1.00 0.00 H new ATOM 0 HA ILE A 88 12.509 3.507 -11.138 1.00 0.00 H new ATOM 0 HB ILE A 88 13.129 1.382 -12.428 1.00 0.00 H new ATOM 0 HG12 ILE A 88 11.399 2.131 -14.721 1.00 0.00 H new ATOM 0 HG13 ILE A 88 12.895 3.041 -14.651 1.00 0.00 H new ATOM 0 HG21 ILE A 88 10.791 0.611 -12.729 1.00 0.00 H new ATOM 0 HG22 ILE A 88 10.965 1.562 -11.235 1.00 0.00 H new ATOM 0 HG23 ILE A 88 10.229 2.299 -12.678 1.00 0.00 H new ATOM 0 HD11 ILE A 88 13.204 0.943 -15.939 1.00 0.00 H new ATOM 0 HD12 ILE A 88 14.193 0.917 -14.460 1.00 0.00 H new ATOM 0 HD13 ILE A 88 12.673 -0.006 -14.530 1.00 0.00 H new ATOM 1349 N GLN A 89 14.322 4.645 -13.528 1.00 0.00 N ATOM 1350 CA GLN A 89 15.716 5.048 -13.864 1.00 0.00 C ATOM 1351 C GLN A 89 16.045 6.428 -13.287 1.00 0.00 C ATOM 1352 O GLN A 89 17.192 6.830 -13.257 1.00 0.00 O ATOM 1353 CB GLN A 89 15.757 5.085 -15.392 1.00 0.00 C ATOM 1354 CG GLN A 89 17.182 5.390 -15.859 1.00 0.00 C ATOM 1355 CD GLN A 89 17.285 5.158 -17.368 1.00 0.00 C ATOM 1356 OE1 GLN A 89 16.979 4.087 -17.852 1.00 0.00 O ATOM 1357 NE2 GLN A 89 17.707 6.125 -18.136 1.00 0.00 N ATOM 0 H GLN A 89 13.600 5.021 -14.143 1.00 0.00 H new ATOM 0 HA GLN A 89 16.448 4.358 -13.445 1.00 0.00 H new ATOM 0 HB2 GLN A 89 15.427 4.129 -15.798 1.00 0.00 H new ATOM 0 HB3 GLN A 89 15.070 5.844 -15.766 1.00 0.00 H new ATOM 0 HG2 GLN A 89 17.441 6.421 -15.620 1.00 0.00 H new ATOM 0 HG3 GLN A 89 17.893 4.753 -15.333 1.00 0.00 H new ATOM 0 HE21 GLN A 89 17.964 7.024 -17.729 1.00 0.00 H new ATOM 0 HE22 GLN A 89 17.780 5.981 -19.143 1.00 0.00 H new ATOM 1366 N HIS A 90 15.061 7.165 -12.832 1.00 0.00 N ATOM 1367 CA HIS A 90 15.362 8.520 -12.268 1.00 0.00 C ATOM 1368 C HIS A 90 14.098 9.213 -11.740 1.00 0.00 C ATOM 1369 O HIS A 90 14.161 9.981 -10.800 1.00 0.00 O ATOM 1370 CB HIS A 90 15.943 9.318 -13.436 1.00 0.00 C ATOM 1371 CG HIS A 90 17.322 9.806 -13.082 1.00 0.00 C ATOM 1372 ND1 HIS A 90 18.202 9.048 -12.324 1.00 0.00 N ATOM 1373 CD2 HIS A 90 17.986 10.972 -13.372 1.00 0.00 C ATOM 1374 CE1 HIS A 90 19.335 9.761 -12.186 1.00 0.00 C ATOM 1375 NE2 HIS A 90 19.257 10.942 -12.805 1.00 0.00 N ATOM 0 H HIS A 90 14.078 6.894 -12.826 1.00 0.00 H new ATOM 0 HA HIS A 90 16.046 8.447 -11.423 1.00 0.00 H new ATOM 0 HB2 HIS A 90 15.986 8.695 -14.329 1.00 0.00 H new ATOM 0 HB3 HIS A 90 15.296 10.164 -13.668 1.00 0.00 H new ATOM 0 HD1 HIS A 90 18.023 8.120 -11.941 1.00 0.00 H new ATOM 0 HD2 HIS A 90 17.583 11.789 -13.952 1.00 0.00 H new ATOM 0 HE1 HIS A 90 20.202 9.420 -11.641 1.00 0.00 H new ATOM 1383 N GLY A 91 12.956 8.968 -12.332 1.00 0.00 N ATOM 1384 CA GLY A 91 11.715 9.643 -11.840 1.00 0.00 C ATOM 1385 C GLY A 91 11.512 9.284 -10.370 1.00 0.00 C ATOM 1386 O GLY A 91 11.336 10.143 -9.528 1.00 0.00 O ATOM 0 H GLY A 91 12.829 8.338 -13.124 1.00 0.00 H new ATOM 0 HA2 GLY A 91 11.801 10.723 -11.957 1.00 0.00 H new ATOM 0 HA3 GLY A 91 10.854 9.326 -12.429 1.00 0.00 H new ATOM 1390 N ILE A 92 11.565 8.023 -10.051 1.00 0.00 N ATOM 1391 CA ILE A 92 11.411 7.599 -8.635 1.00 0.00 C ATOM 1392 C ILE A 92 12.240 6.336 -8.410 1.00 0.00 C ATOM 1393 O ILE A 92 12.760 5.756 -9.341 1.00 0.00 O ATOM 1394 CB ILE A 92 9.919 7.318 -8.443 1.00 0.00 C ATOM 1395 CG1 ILE A 92 9.481 6.204 -9.395 1.00 0.00 C ATOM 1396 CG2 ILE A 92 9.113 8.586 -8.735 1.00 0.00 C ATOM 1397 CD1 ILE A 92 9.775 4.845 -8.761 1.00 0.00 C ATOM 0 H ILE A 92 11.709 7.263 -10.716 1.00 0.00 H new ATOM 0 HA ILE A 92 11.753 8.354 -7.927 1.00 0.00 H new ATOM 0 HB ILE A 92 9.741 7.007 -7.414 1.00 0.00 H new ATOM 0 HG12 ILE A 92 8.416 6.294 -9.611 1.00 0.00 H new ATOM 0 HG13 ILE A 92 10.008 6.295 -10.345 1.00 0.00 H new ATOM 0 HG21 ILE A 92 8.051 8.382 -8.597 1.00 0.00 H new ATOM 0 HG22 ILE A 92 9.422 9.378 -8.053 1.00 0.00 H new ATOM 0 HG23 ILE A 92 9.291 8.902 -9.763 1.00 0.00 H new ATOM 0 HD11 ILE A 92 9.463 4.052 -9.440 1.00 0.00 H new ATOM 0 HD12 ILE A 92 10.844 4.757 -8.568 1.00 0.00 H new ATOM 0 HD13 ILE A 92 9.228 4.755 -7.822 1.00 0.00 H new ATOM 1409 N HIS A 93 12.362 5.900 -7.191 1.00 0.00 N ATOM 1410 CA HIS A 93 13.153 4.666 -6.929 1.00 0.00 C ATOM 1411 C HIS A 93 12.278 3.623 -6.228 1.00 0.00 C ATOM 1412 O HIS A 93 12.468 2.434 -6.388 1.00 0.00 O ATOM 1413 CB HIS A 93 14.302 5.119 -6.027 1.00 0.00 C ATOM 1414 CG HIS A 93 15.531 5.371 -6.860 1.00 0.00 C ATOM 1415 ND1 HIS A 93 15.498 6.097 -8.046 1.00 0.00 N ATOM 1416 CD2 HIS A 93 16.843 5.000 -6.689 1.00 0.00 C ATOM 1417 CE1 HIS A 93 16.752 6.137 -8.532 1.00 0.00 C ATOM 1418 NE2 HIS A 93 17.610 5.484 -7.744 1.00 0.00 N ATOM 0 H HIS A 93 11.952 6.340 -6.368 1.00 0.00 H new ATOM 0 HA HIS A 93 13.522 4.201 -7.843 1.00 0.00 H new ATOM 0 HB2 HIS A 93 14.021 6.026 -5.492 1.00 0.00 H new ATOM 0 HB3 HIS A 93 14.510 4.357 -5.276 1.00 0.00 H new ATOM 0 HD2 HIS A 93 17.222 4.420 -5.860 1.00 0.00 H new ATOM 0 HE1 HIS A 93 17.031 6.636 -9.448 1.00 0.00 H new ATOM 0 HE2 HIS A 93 18.613 5.365 -7.885 1.00 0.00 H new ATOM 1426 N ASP A 94 11.312 4.063 -5.463 1.00 0.00 N ATOM 1427 CA ASP A 94 10.406 3.109 -4.751 1.00 0.00 C ATOM 1428 C ASP A 94 9.374 3.884 -3.926 1.00 0.00 C ATOM 1429 O ASP A 94 8.986 3.465 -2.853 1.00 0.00 O ATOM 1430 CB ASP A 94 11.311 2.286 -3.829 1.00 0.00 C ATOM 1431 CG ASP A 94 12.106 3.221 -2.913 1.00 0.00 C ATOM 1432 OD1 ASP A 94 11.489 3.868 -2.082 1.00 0.00 O ATOM 1433 OD2 ASP A 94 13.315 3.274 -3.058 1.00 0.00 O ATOM 0 H ASP A 94 11.110 5.049 -5.299 1.00 0.00 H new ATOM 0 HA ASP A 94 9.858 2.474 -5.447 1.00 0.00 H new ATOM 0 HB2 ASP A 94 10.710 1.601 -3.231 1.00 0.00 H new ATOM 0 HB3 ASP A 94 11.993 1.677 -4.423 1.00 0.00 H new ATOM 1438 N GLY A 95 8.928 5.009 -4.417 1.00 0.00 N ATOM 1439 CA GLY A 95 7.926 5.812 -3.659 1.00 0.00 C ATOM 1440 C GLY A 95 8.514 7.187 -3.331 1.00 0.00 C ATOM 1441 O GLY A 95 8.634 7.561 -2.182 1.00 0.00 O ATOM 0 H GLY A 95 9.215 5.407 -5.311 1.00 0.00 H new ATOM 0 HA2 GLY A 95 7.015 5.925 -4.247 1.00 0.00 H new ATOM 0 HA3 GLY A 95 7.650 5.295 -2.740 1.00 0.00 H new ATOM 1445 N LEU A 96 8.884 7.940 -4.333 1.00 0.00 N ATOM 1446 CA LEU A 96 9.467 9.291 -4.078 1.00 0.00 C ATOM 1447 C LEU A 96 8.444 10.381 -4.413 1.00 0.00 C ATOM 1448 O LEU A 96 7.280 10.106 -4.632 1.00 0.00 O ATOM 1449 CB LEU A 96 10.677 9.383 -5.012 1.00 0.00 C ATOM 1450 CG LEU A 96 11.964 9.381 -4.185 1.00 0.00 C ATOM 1451 CD1 LEU A 96 12.223 7.973 -3.644 1.00 0.00 C ATOM 1452 CD2 LEU A 96 13.136 9.810 -5.069 1.00 0.00 C ATOM 0 H LEU A 96 8.808 7.679 -5.316 1.00 0.00 H new ATOM 0 HA LEU A 96 9.747 9.430 -3.034 1.00 0.00 H new ATOM 0 HB2 LEU A 96 10.678 8.543 -5.707 1.00 0.00 H new ATOM 0 HB3 LEU A 96 10.619 10.292 -5.611 1.00 0.00 H new ATOM 0 HG LEU A 96 11.861 10.076 -3.352 1.00 0.00 H new ATOM 0 HD11 LEU A 96 13.140 7.973 -3.055 1.00 0.00 H new ATOM 0 HD12 LEU A 96 11.388 7.666 -3.015 1.00 0.00 H new ATOM 0 HD13 LEU A 96 12.326 7.277 -4.476 1.00 0.00 H new ATOM 0 HD21 LEU A 96 14.054 9.809 -4.482 1.00 0.00 H new ATOM 0 HD22 LEU A 96 13.237 9.114 -5.902 1.00 0.00 H new ATOM 0 HD23 LEU A 96 12.953 10.813 -5.455 1.00 0.00 H new ATOM 1464 N THR A 97 8.871 11.615 -4.454 1.00 0.00 N ATOM 1465 CA THR A 97 7.926 12.724 -4.774 1.00 0.00 C ATOM 1466 C THR A 97 8.556 13.684 -5.787 1.00 0.00 C ATOM 1467 O THR A 97 9.753 13.895 -5.793 1.00 0.00 O ATOM 1468 CB THR A 97 7.683 13.435 -3.441 1.00 0.00 C ATOM 1469 OG1 THR A 97 7.336 12.478 -2.450 1.00 0.00 O ATOM 1470 CG2 THR A 97 6.545 14.445 -3.598 1.00 0.00 C ATOM 0 H THR A 97 9.834 11.903 -4.280 1.00 0.00 H new ATOM 0 HA THR A 97 6.999 12.360 -5.218 1.00 0.00 H new ATOM 0 HB THR A 97 8.590 13.958 -3.139 1.00 0.00 H new ATOM 0 HG1 THR A 97 7.182 12.933 -1.596 1.00 0.00 H new ATOM 0 HG21 THR A 97 6.373 14.950 -2.648 1.00 0.00 H new ATOM 0 HG22 THR A 97 6.813 15.180 -4.357 1.00 0.00 H new ATOM 0 HG23 THR A 97 5.636 13.925 -3.902 1.00 0.00 H new ATOM 1478 N VAL A 98 7.758 14.265 -6.642 1.00 0.00 N ATOM 1479 CA VAL A 98 8.308 15.212 -7.656 1.00 0.00 C ATOM 1480 C VAL A 98 7.362 16.405 -7.834 1.00 0.00 C ATOM 1481 O VAL A 98 6.186 16.325 -7.539 1.00 0.00 O ATOM 1482 CB VAL A 98 8.408 14.400 -8.947 1.00 0.00 C ATOM 1483 CG1 VAL A 98 7.014 13.933 -9.376 1.00 0.00 C ATOM 1484 CG2 VAL A 98 9.013 15.274 -10.047 1.00 0.00 C ATOM 0 H VAL A 98 6.748 14.125 -6.683 1.00 0.00 H new ATOM 0 HA VAL A 98 9.275 15.619 -7.360 1.00 0.00 H new ATOM 0 HB VAL A 98 9.041 13.529 -8.778 1.00 0.00 H new ATOM 0 HG11 VAL A 98 7.091 13.355 -10.297 1.00 0.00 H new ATOM 0 HG12 VAL A 98 6.581 13.311 -8.592 1.00 0.00 H new ATOM 0 HG13 VAL A 98 6.376 14.800 -9.545 1.00 0.00 H new ATOM 0 HG21 VAL A 98 9.086 14.699 -10.970 1.00 0.00 H new ATOM 0 HG22 VAL A 98 8.377 16.144 -10.211 1.00 0.00 H new ATOM 0 HG23 VAL A 98 10.007 15.603 -9.745 1.00 0.00 H new ATOM 1494 N HIS A 99 7.868 17.510 -8.314 1.00 0.00 N ATOM 1495 CA HIS A 99 6.998 18.708 -8.508 1.00 0.00 C ATOM 1496 C HIS A 99 6.394 18.707 -9.916 1.00 0.00 C ATOM 1497 O HIS A 99 7.098 18.810 -10.898 1.00 0.00 O ATOM 1498 CB HIS A 99 7.931 19.903 -8.325 1.00 0.00 C ATOM 1499 CG HIS A 99 8.303 20.026 -6.873 1.00 0.00 C ATOM 1500 ND1 HIS A 99 7.923 21.114 -6.102 1.00 0.00 N ATOM 1501 CD2 HIS A 99 9.018 19.205 -6.037 1.00 0.00 C ATOM 1502 CE1 HIS A 99 8.407 20.919 -4.862 1.00 0.00 C ATOM 1503 NE2 HIS A 99 9.082 19.771 -4.767 1.00 0.00 N ATOM 0 H HIS A 99 8.845 17.635 -8.580 1.00 0.00 H new ATOM 0 HA HIS A 99 6.162 18.729 -7.808 1.00 0.00 H new ATOM 0 HB2 HIS A 99 8.827 19.776 -8.932 1.00 0.00 H new ATOM 0 HB3 HIS A 99 7.442 20.816 -8.666 1.00 0.00 H new ATOM 0 HD2 HIS A 99 9.463 18.263 -6.321 1.00 0.00 H new ATOM 0 HE1 HIS A 99 8.266 21.608 -4.042 1.00 0.00 H new ATOM 0 HE2 HIS A 99 9.545 19.391 -3.942 1.00 0.00 H new ATOM 1511 N LEU A 100 5.096 18.600 -10.022 1.00 0.00 N ATOM 1512 CA LEU A 100 4.459 18.600 -11.372 1.00 0.00 C ATOM 1513 C LEU A 100 4.127 20.032 -11.798 1.00 0.00 C ATOM 1514 O LEU A 100 3.545 20.792 -11.049 1.00 0.00 O ATOM 1515 CB LEU A 100 3.179 17.778 -11.216 1.00 0.00 C ATOM 1516 CG LEU A 100 2.622 17.444 -12.602 1.00 0.00 C ATOM 1517 CD1 LEU A 100 1.872 16.112 -12.545 1.00 0.00 C ATOM 1518 CD2 LEU A 100 1.662 18.549 -13.045 1.00 0.00 C ATOM 0 H LEU A 100 4.452 18.513 -9.236 1.00 0.00 H new ATOM 0 HA LEU A 100 5.116 18.183 -12.135 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.387 16.861 -10.664 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.442 18.337 -10.640 1.00 0.00 H new ATOM 0 HG LEU A 100 3.444 17.368 -13.314 1.00 0.00 H new ATOM 0 HD11 LEU A 100 1.476 15.875 -13.532 1.00 0.00 H new ATOM 0 HD12 LEU A 100 2.555 15.323 -12.229 1.00 0.00 H new ATOM 0 HD13 LEU A 100 1.050 16.187 -11.833 1.00 0.00 H new ATOM 0 HD21 LEU A 100 1.265 18.312 -14.032 1.00 0.00 H new ATOM 0 HD22 LEU A 100 0.841 18.625 -12.332 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.195 19.499 -13.087 1.00 0.00 H new ATOM 1530 N VAL A 101 4.494 20.403 -12.994 1.00 0.00 N ATOM 1531 CA VAL A 101 4.200 21.785 -13.473 1.00 0.00 C ATOM 1532 C VAL A 101 3.893 21.772 -14.972 1.00 0.00 C ATOM 1533 O VAL A 101 4.623 21.202 -15.759 1.00 0.00 O ATOM 1534 CB VAL A 101 5.474 22.585 -13.188 1.00 0.00 C ATOM 1535 CG1 VAL A 101 5.743 22.598 -11.682 1.00 0.00 C ATOM 1536 CG2 VAL A 101 6.662 21.938 -13.910 1.00 0.00 C ATOM 0 H VAL A 101 4.985 19.809 -13.662 1.00 0.00 H new ATOM 0 HA VAL A 101 3.331 22.218 -12.977 1.00 0.00 H new ATOM 0 HB VAL A 101 5.345 23.607 -13.545 1.00 0.00 H new ATOM 0 HG11 VAL A 101 6.650 23.168 -11.479 1.00 0.00 H new ATOM 0 HG12 VAL A 101 4.901 23.060 -11.166 1.00 0.00 H new ATOM 0 HG13 VAL A 101 5.870 21.576 -11.326 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.567 22.510 -13.705 1.00 0.00 H new ATOM 0 HG22 VAL A 101 6.790 20.915 -13.555 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.474 21.928 -14.984 1.00 0.00 H new ATOM 1546 N ILE A 102 2.818 22.397 -15.371 1.00 0.00 N ATOM 1547 CA ILE A 102 2.460 22.422 -16.821 1.00 0.00 C ATOM 1548 C ILE A 102 2.727 23.812 -17.408 1.00 0.00 C ATOM 1549 O ILE A 102 2.308 24.816 -16.866 1.00 0.00 O ATOM 1550 CB ILE A 102 0.966 22.086 -16.879 1.00 0.00 C ATOM 1551 CG1 ILE A 102 0.155 23.204 -16.214 1.00 0.00 C ATOM 1552 CG2 ILE A 102 0.704 20.766 -16.149 1.00 0.00 C ATOM 1553 CD1 ILE A 102 -0.341 24.173 -17.288 1.00 0.00 C ATOM 0 H ILE A 102 2.171 22.892 -14.756 1.00 0.00 H new ATOM 0 HA ILE A 102 3.052 21.714 -17.401 1.00 0.00 H new ATOM 0 HB ILE A 102 0.664 21.991 -17.922 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -0.690 22.782 -15.670 1.00 0.00 H new ATOM 0 HG13 ILE A 102 0.771 23.733 -15.487 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -0.359 20.531 -16.193 1.00 0.00 H new ATOM 0 HG22 ILE A 102 1.272 19.967 -16.626 1.00 0.00 H new ATOM 0 HG23 ILE A 102 1.013 20.859 -15.108 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -0.919 24.970 -16.820 1.00 0.00 H new ATOM 0 HD12 ILE A 102 0.512 24.603 -17.812 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -0.971 23.637 -17.998 1.00 0.00 H new