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 68 GLN : amide:sc= -0.705 X(o=-1.2,f=-1.1!) USER MOD Set 1.2: A 71 GLN : amide:sc= -0.463 K(o=-1.2,f=-0.24) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.278) USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.678 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 157:sc= 0.442! 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= -0.724 K(o=-0.72,f=-2.4!) USER MOD Single : A 52 SER OG : rot 53:sc= -0.893 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.0938) USER MOD Single : A 62 SER OG : rot -55:sc= -0.31 USER MOD Single : A 63 LYS NZ :NH3+ 152:sc=-0.00655 (180deg=-0.525) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.577 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 170:sc= -0.395 (180deg=-0.643) USER MOD Single : A 84 GLN : amide:sc= -0.372 K(o=-0.37,f=-2.3!) USER MOD Single : A 86 THR OG1 : rot -170:sc= -1.65 USER MOD Single : A 89 GLN : amide:sc= -0.154 X(o=-0.15,f=-0.16) USER MOD Single : A 90 HIS : no HD1:sc= -0.0474 X(o=-0.047,f=0) USER MOD Single : A 93 HIS : no HD1:sc= -0.158 X(o=-0.16,f=-0.12) USER MOD Single : A 97 THR OG1 : rot 16:sc= 0.231 USER MOD Single : A 99 HIS : no HD1:sc= -0.0354 X(o=-0.035,f=-0.0049) USER MOD ----------------------------------------------------------------- ATOM 380 N LYS A 31 5.908 -5.029 -10.348 1.00 0.00 N ATOM 381 CA LYS A 31 6.588 -4.263 -9.274 1.00 0.00 C ATOM 382 C LYS A 31 5.999 -2.856 -9.303 1.00 0.00 C ATOM 383 O LYS A 31 6.662 -1.894 -9.636 1.00 0.00 O ATOM 384 CB LYS A 31 8.068 -4.251 -9.663 1.00 0.00 C ATOM 385 CG LYS A 31 8.759 -5.498 -9.104 1.00 0.00 C ATOM 386 CD LYS A 31 9.646 -5.107 -7.919 1.00 0.00 C ATOM 387 CE LYS A 31 8.859 -5.259 -6.614 1.00 0.00 C ATOM 388 NZ LYS A 31 9.543 -6.359 -5.877 1.00 0.00 N ATOM 0 HA LYS A 31 6.465 -4.678 -8.274 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.168 -4.223 -10.748 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.549 -3.353 -9.275 1.00 0.00 H new ATOM 0 HG2 LYS A 31 8.014 -6.228 -8.788 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.360 -5.972 -9.880 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.535 -5.737 -7.894 1.00 0.00 H new ATOM 0 HD3 LYS A 31 9.987 -4.078 -8.032 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.867 -4.334 -6.038 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.815 -5.504 -6.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 9.060 -6.522 -4.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 9.514 -7.229 -6.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 10.533 -6.095 -5.699 1.00 0.00 H new ATOM 402 N ILE A 32 4.733 -2.745 -9.007 1.00 0.00 N ATOM 403 CA ILE A 32 4.066 -1.419 -9.071 1.00 0.00 C ATOM 404 C ILE A 32 4.768 -0.413 -8.146 1.00 0.00 C ATOM 405 O ILE A 32 4.543 -0.397 -6.952 1.00 0.00 O ATOM 406 CB ILE A 32 2.622 -1.681 -8.609 1.00 0.00 C ATOM 407 CG1 ILE A 32 1.777 -2.113 -9.810 1.00 0.00 C ATOM 408 CG2 ILE A 32 2.016 -0.408 -8.007 1.00 0.00 C ATOM 409 CD1 ILE A 32 2.149 -3.539 -10.216 1.00 0.00 C ATOM 0 H ILE A 32 4.132 -3.519 -8.723 1.00 0.00 H new ATOM 0 HA ILE A 32 4.101 -0.987 -10.071 1.00 0.00 H new ATOM 0 HB ILE A 32 2.632 -2.466 -7.853 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.718 -2.061 -9.559 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.941 -1.432 -10.646 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.994 -0.609 -7.685 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.611 -0.092 -7.150 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.011 0.383 -8.757 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.545 -3.843 -11.071 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.205 -3.577 -10.485 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.963 -4.215 -9.382 1.00 0.00 H new ATOM 421 N ILE A 33 5.609 0.435 -8.689 1.00 0.00 N ATOM 422 CA ILE A 33 6.305 1.440 -7.829 1.00 0.00 C ATOM 423 C ILE A 33 5.347 2.596 -7.522 1.00 0.00 C ATOM 424 O ILE A 33 4.514 2.951 -8.333 1.00 0.00 O ATOM 425 CB ILE A 33 7.529 1.919 -8.630 1.00 0.00 C ATOM 426 CG1 ILE A 33 7.097 2.869 -9.756 1.00 0.00 C ATOM 427 CG2 ILE A 33 8.255 0.711 -9.232 1.00 0.00 C ATOM 428 CD1 ILE A 33 8.334 3.347 -10.521 1.00 0.00 C ATOM 0 H ILE A 33 5.841 0.474 -9.681 1.00 0.00 H new ATOM 0 HA ILE A 33 6.620 1.021 -6.874 1.00 0.00 H new ATOM 0 HB ILE A 33 8.199 2.453 -7.957 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.411 2.360 -10.433 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.560 3.722 -9.341 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.121 1.052 -9.799 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.583 0.048 -8.432 1.00 0.00 H new ATOM 0 HG23 ILE A 33 7.577 0.172 -9.894 1.00 0.00 H new ATOM 0 HD11 ILE A 33 8.029 4.022 -11.321 1.00 0.00 H new ATOM 0 HD12 ILE A 33 9.003 3.872 -9.839 1.00 0.00 H new ATOM 0 HD13 ILE A 33 8.852 2.488 -10.948 1.00 0.00 H new ATOM 440 N LYS A 34 5.448 3.178 -6.357 1.00 0.00 N ATOM 441 CA LYS A 34 4.529 4.301 -6.004 1.00 0.00 C ATOM 442 C LYS A 34 5.153 5.642 -6.396 1.00 0.00 C ATOM 443 O LYS A 34 6.303 5.907 -6.115 1.00 0.00 O ATOM 444 CB LYS A 34 4.358 4.212 -4.487 1.00 0.00 C ATOM 445 CG LYS A 34 3.340 3.120 -4.152 1.00 0.00 C ATOM 446 CD LYS A 34 3.168 3.028 -2.633 1.00 0.00 C ATOM 447 CE LYS A 34 1.690 2.817 -2.295 1.00 0.00 C ATOM 448 NZ LYS A 34 1.347 1.490 -2.877 1.00 0.00 N ATOM 0 H LYS A 34 6.124 2.926 -5.636 1.00 0.00 H new ATOM 0 HA LYS A 34 3.575 4.232 -6.527 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.315 3.989 -4.015 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.023 5.171 -4.091 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.383 3.343 -4.624 1.00 0.00 H new ATOM 0 HG3 LYS A 34 3.675 2.162 -4.549 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.763 2.204 -2.239 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.533 3.939 -2.160 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.526 2.830 -1.218 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.071 3.607 -2.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.500 1.113 -2.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.160 1.595 -3.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.142 0.834 -2.737 1.00 0.00 H new ATOM 462 N VAL A 35 4.398 6.488 -7.045 1.00 0.00 N ATOM 463 CA VAL A 35 4.944 7.815 -7.459 1.00 0.00 C ATOM 464 C VAL A 35 4.082 8.946 -6.887 1.00 0.00 C ATOM 465 O VAL A 35 2.931 9.106 -7.244 1.00 0.00 O ATOM 466 CB VAL A 35 4.899 7.810 -8.993 1.00 0.00 C ATOM 467 CG1 VAL A 35 3.475 7.506 -9.479 1.00 0.00 C ATOM 468 CG2 VAL A 35 5.339 9.178 -9.527 1.00 0.00 C ATOM 0 H VAL A 35 3.427 6.318 -7.307 1.00 0.00 H new ATOM 0 HA VAL A 35 5.957 7.978 -7.090 1.00 0.00 H new ATOM 0 HB VAL A 35 5.575 7.039 -9.363 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.455 7.505 -10.569 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.165 6.528 -9.109 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.792 8.268 -9.104 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.306 9.171 -10.616 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.668 9.949 -9.148 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.356 9.388 -9.196 1.00 0.00 H new ATOM 478 N THR A 36 4.634 9.733 -6.001 1.00 0.00 N ATOM 479 CA THR A 36 3.855 10.855 -5.402 1.00 0.00 C ATOM 480 C THR A 36 3.952 12.096 -6.294 1.00 0.00 C ATOM 481 O THR A 36 4.982 12.736 -6.372 1.00 0.00 O ATOM 482 CB THR A 36 4.515 11.117 -4.047 1.00 0.00 C ATOM 483 OG1 THR A 36 4.506 9.921 -3.279 1.00 0.00 O ATOM 484 CG2 THR A 36 3.745 12.209 -3.303 1.00 0.00 C ATOM 0 H THR A 36 5.593 9.646 -5.666 1.00 0.00 H new ATOM 0 HA THR A 36 2.796 10.616 -5.300 1.00 0.00 H new ATOM 0 HB THR A 36 5.544 11.443 -4.201 1.00 0.00 H new ATOM 0 HG1 THR A 36 4.930 10.086 -2.411 1.00 0.00 H new ATOM 0 HG21 THR A 36 4.217 12.394 -2.338 1.00 0.00 H new ATOM 0 HG22 THR A 36 3.753 13.126 -3.892 1.00 0.00 H new ATOM 0 HG23 THR A 36 2.715 11.887 -3.147 1.00 0.00 H new ATOM 492 N VAL A 37 2.886 12.439 -6.967 1.00 0.00 N ATOM 493 CA VAL A 37 2.917 13.637 -7.856 1.00 0.00 C ATOM 494 C VAL A 37 2.220 14.819 -7.178 1.00 0.00 C ATOM 495 O VAL A 37 1.099 14.712 -6.717 1.00 0.00 O ATOM 496 CB VAL A 37 2.158 13.221 -9.118 1.00 0.00 C ATOM 497 CG1 VAL A 37 2.161 14.376 -10.121 1.00 0.00 C ATOM 498 CG2 VAL A 37 2.837 12.000 -9.749 1.00 0.00 C ATOM 0 H VAL A 37 1.996 11.942 -6.940 1.00 0.00 H new ATOM 0 HA VAL A 37 3.936 13.954 -8.080 1.00 0.00 H new ATOM 0 HB VAL A 37 1.131 12.970 -8.853 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.620 14.079 -11.020 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.676 15.245 -9.676 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.189 14.628 -10.383 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.295 11.706 -10.647 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.865 12.250 -10.011 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.835 11.174 -9.037 1.00 0.00 H new ATOM 508 N LYS A 38 2.876 15.948 -7.118 1.00 0.00 N ATOM 509 CA LYS A 38 2.255 17.143 -6.477 1.00 0.00 C ATOM 510 C LYS A 38 1.636 18.044 -7.548 1.00 0.00 C ATOM 511 O LYS A 38 2.304 18.484 -8.463 1.00 0.00 O ATOM 512 CB LYS A 38 3.408 17.858 -5.771 1.00 0.00 C ATOM 513 CG LYS A 38 3.944 16.973 -4.644 1.00 0.00 C ATOM 514 CD LYS A 38 5.453 17.178 -4.506 1.00 0.00 C ATOM 515 CE LYS A 38 5.727 18.265 -3.465 1.00 0.00 C ATOM 516 NZ LYS A 38 7.050 17.910 -2.878 1.00 0.00 N ATOM 0 H LYS A 38 3.816 16.094 -7.486 1.00 0.00 H new ATOM 0 HA LYS A 38 1.458 16.878 -5.782 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.203 18.080 -6.483 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.066 18.811 -5.368 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.446 17.219 -3.706 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.727 15.926 -4.855 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.932 16.245 -4.208 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.881 17.463 -5.467 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.751 19.254 -3.923 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.949 18.286 -2.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.308 18.611 -2.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.995 16.967 -2.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.772 17.905 -3.627 1.00 0.00 H new ATOM 530 N THR A 39 0.364 18.318 -7.445 1.00 0.00 N ATOM 531 CA THR A 39 -0.301 19.186 -8.461 1.00 0.00 C ATOM 532 C THR A 39 -0.904 20.424 -7.787 1.00 0.00 C ATOM 533 O THR A 39 -0.999 20.481 -6.576 1.00 0.00 O ATOM 534 CB THR A 39 -1.401 18.310 -9.063 1.00 0.00 C ATOM 535 OG1 THR A 39 -1.993 17.524 -8.038 1.00 0.00 O ATOM 536 CG2 THR A 39 -0.802 17.391 -10.130 1.00 0.00 C ATOM 0 H THR A 39 -0.245 17.978 -6.701 1.00 0.00 H new ATOM 0 HA THR A 39 0.394 19.547 -9.219 1.00 0.00 H new ATOM 0 HB THR A 39 -2.160 18.945 -9.520 1.00 0.00 H new ATOM 0 HG1 THR A 39 -2.895 17.256 -8.311 1.00 0.00 H new ATOM 0 HG21 THR A 39 -1.588 16.768 -10.557 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.349 17.994 -10.917 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.041 16.755 -9.677 1.00 0.00 H new ATOM 544 N PRO A 40 -1.300 21.379 -8.593 1.00 0.00 N ATOM 545 CA PRO A 40 -1.905 22.623 -8.055 1.00 0.00 C ATOM 546 C PRO A 40 -3.298 22.332 -7.486 1.00 0.00 C ATOM 547 O PRO A 40 -4.293 22.849 -7.955 1.00 0.00 O ATOM 548 CB PRO A 40 -1.990 23.539 -9.274 1.00 0.00 C ATOM 549 CG PRO A 40 -2.021 22.614 -10.448 1.00 0.00 C ATOM 550 CD PRO A 40 -1.224 21.396 -10.062 1.00 0.00 C ATOM 0 HA PRO A 40 -1.331 23.065 -7.241 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -2.883 24.162 -9.238 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -1.134 24.212 -9.323 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -3.046 22.342 -10.699 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.594 23.093 -11.329 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -1.645 20.489 -10.495 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -0.193 21.466 -10.409 1.00 0.00 H new ATOM 558 N LYS A 41 -3.369 21.505 -6.477 1.00 0.00 N ATOM 559 CA LYS A 41 -4.689 21.167 -5.865 1.00 0.00 C ATOM 560 C LYS A 41 -4.473 20.290 -4.629 1.00 0.00 C ATOM 561 O LYS A 41 -5.046 20.519 -3.582 1.00 0.00 O ATOM 562 CB LYS A 41 -5.448 20.392 -6.948 1.00 0.00 C ATOM 563 CG LYS A 41 -6.874 20.941 -7.074 1.00 0.00 C ATOM 564 CD LYS A 41 -7.078 21.544 -8.469 1.00 0.00 C ATOM 565 CE LYS A 41 -8.280 20.878 -9.146 1.00 0.00 C ATOM 566 NZ LYS A 41 -7.967 20.910 -10.603 1.00 0.00 N ATOM 0 H LYS A 41 -2.566 21.046 -6.048 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.239 22.052 -5.544 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.929 20.479 -7.902 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.477 19.332 -6.697 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.597 20.143 -6.904 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.050 21.699 -6.311 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.241 22.619 -8.391 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.182 21.400 -9.073 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.415 19.855 -8.794 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -9.203 21.415 -8.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -8.745 20.471 -11.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.850 21.896 -10.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.087 20.385 -10.781 1.00 0.00 H new ATOM 580 N GLU A 42 -3.644 19.285 -4.747 1.00 0.00 N ATOM 581 CA GLU A 42 -3.378 18.383 -3.587 1.00 0.00 C ATOM 582 C GLU A 42 -2.262 17.395 -3.938 1.00 0.00 C ATOM 583 O GLU A 42 -1.717 17.421 -5.026 1.00 0.00 O ATOM 584 CB GLU A 42 -4.696 17.640 -3.345 1.00 0.00 C ATOM 585 CG GLU A 42 -5.306 18.096 -2.017 1.00 0.00 C ATOM 586 CD GLU A 42 -6.832 18.052 -2.116 1.00 0.00 C ATOM 587 OE1 GLU A 42 -7.399 18.997 -2.638 1.00 0.00 O ATOM 588 OE2 GLU A 42 -7.406 17.074 -1.668 1.00 0.00 O ATOM 0 H GLU A 42 -3.138 19.050 -5.601 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.055 18.932 -2.702 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.391 17.835 -4.162 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.521 16.564 -3.326 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.965 17.451 -1.207 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.975 19.107 -1.781 1.00 0.00 H new ATOM 595 N LYS A 43 -1.921 16.523 -3.028 1.00 0.00 N ATOM 596 CA LYS A 43 -0.844 15.529 -3.307 1.00 0.00 C ATOM 597 C LYS A 43 -1.459 14.148 -3.544 1.00 0.00 C ATOM 598 O LYS A 43 -2.058 13.567 -2.659 1.00 0.00 O ATOM 599 CB LYS A 43 0.028 15.521 -2.051 1.00 0.00 C ATOM 600 CG LYS A 43 1.222 14.589 -2.265 1.00 0.00 C ATOM 601 CD LYS A 43 2.219 14.764 -1.118 1.00 0.00 C ATOM 602 CE LYS A 43 1.606 14.233 0.180 1.00 0.00 C ATOM 603 NZ LYS A 43 2.572 14.619 1.246 1.00 0.00 N ATOM 0 H LYS A 43 -2.342 16.456 -2.102 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.267 15.781 -4.197 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.376 16.530 -1.830 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.556 15.190 -1.192 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.885 13.554 -2.313 1.00 0.00 H new ATOM 0 HG3 LYS A 43 1.704 14.811 -3.217 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.143 14.230 -1.341 1.00 0.00 H new ATOM 0 HD3 LYS A 43 2.478 15.817 -1.006 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.624 14.669 0.360 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.472 13.152 0.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.222 14.289 2.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 3.496 14.184 1.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.674 15.654 1.264 1.00 0.00 H new ATOM 617 N GLU A 44 -1.324 13.620 -4.731 1.00 0.00 N ATOM 618 CA GLU A 44 -1.909 12.278 -5.022 1.00 0.00 C ATOM 619 C GLU A 44 -0.826 11.314 -5.514 1.00 0.00 C ATOM 620 O GLU A 44 -0.022 11.649 -6.362 1.00 0.00 O ATOM 621 CB GLU A 44 -2.943 12.526 -6.123 1.00 0.00 C ATOM 622 CG GLU A 44 -4.353 12.323 -5.562 1.00 0.00 C ATOM 623 CD GLU A 44 -4.927 13.670 -5.117 1.00 0.00 C ATOM 624 OE1 GLU A 44 -4.671 14.653 -5.793 1.00 0.00 O ATOM 625 OE2 GLU A 44 -5.613 13.695 -4.109 1.00 0.00 O ATOM 0 H GLU A 44 -0.835 14.059 -5.511 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.353 11.826 -4.135 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.838 13.539 -6.512 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.771 11.845 -6.957 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.996 11.875 -6.320 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.324 11.632 -4.719 1.00 0.00 H new ATOM 632 N GLU A 45 -0.806 10.118 -4.991 1.00 0.00 N ATOM 633 CA GLU A 45 0.215 9.124 -5.429 1.00 0.00 C ATOM 634 C GLU A 45 -0.358 8.256 -6.553 1.00 0.00 C ATOM 635 O GLU A 45 -1.552 8.045 -6.634 1.00 0.00 O ATOM 636 CB GLU A 45 0.507 8.278 -4.187 1.00 0.00 C ATOM 637 CG GLU A 45 2.019 8.100 -4.033 1.00 0.00 C ATOM 638 CD GLU A 45 2.305 6.794 -3.288 1.00 0.00 C ATOM 639 OE1 GLU A 45 1.712 5.789 -3.645 1.00 0.00 O ATOM 640 OE2 GLU A 45 3.114 6.821 -2.376 1.00 0.00 O ATOM 0 H GLU A 45 -1.455 9.786 -4.277 1.00 0.00 H new ATOM 0 HA GLU A 45 1.119 9.595 -5.815 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.095 8.760 -3.301 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.023 7.305 -4.275 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.496 8.084 -5.013 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.442 8.943 -3.486 1.00 0.00 H new ATOM 647 N PHE A 46 0.479 7.757 -7.422 1.00 0.00 N ATOM 648 CA PHE A 46 -0.026 6.909 -8.540 1.00 0.00 C ATOM 649 C PHE A 46 0.712 5.568 -8.570 1.00 0.00 C ATOM 650 O PHE A 46 1.864 5.472 -8.196 1.00 0.00 O ATOM 651 CB PHE A 46 0.276 7.710 -9.808 1.00 0.00 C ATOM 652 CG PHE A 46 -0.965 8.446 -10.251 1.00 0.00 C ATOM 653 CD1 PHE A 46 -1.338 9.636 -9.614 1.00 0.00 C ATOM 654 CD2 PHE A 46 -1.744 7.939 -11.298 1.00 0.00 C ATOM 655 CE1 PHE A 46 -2.489 10.320 -10.027 1.00 0.00 C ATOM 656 CE2 PHE A 46 -2.894 8.623 -11.711 1.00 0.00 C ATOM 657 CZ PHE A 46 -3.267 9.812 -11.075 1.00 0.00 C ATOM 0 H PHE A 46 1.489 7.899 -7.406 1.00 0.00 H new ATOM 0 HA PHE A 46 -1.087 6.684 -8.437 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.083 8.418 -9.619 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.617 7.042 -10.599 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -0.739 10.026 -8.805 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.458 7.020 -11.787 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -2.776 11.239 -9.537 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -3.493 8.233 -12.520 1.00 0.00 H new ATOM 0 HZ PHE A 46 -4.155 10.338 -11.392 1.00 0.00 H new ATOM 667 N ALA A 47 0.055 4.538 -9.027 1.00 0.00 N ATOM 668 CA ALA A 47 0.710 3.201 -9.102 1.00 0.00 C ATOM 669 C ALA A 47 1.122 2.929 -10.548 1.00 0.00 C ATOM 670 O ALA A 47 0.354 3.140 -11.466 1.00 0.00 O ATOM 671 CB ALA A 47 -0.356 2.205 -8.648 1.00 0.00 C ATOM 0 H ALA A 47 -0.911 4.565 -9.353 1.00 0.00 H new ATOM 0 HA ALA A 47 1.605 3.132 -8.484 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.054 1.195 -8.677 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.666 2.442 -7.630 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.218 2.266 -9.313 1.00 0.00 H new ATOM 677 N VAL A 48 2.325 2.473 -10.767 1.00 0.00 N ATOM 678 CA VAL A 48 2.766 2.205 -12.159 1.00 0.00 C ATOM 679 C VAL A 48 3.665 0.970 -12.179 1.00 0.00 C ATOM 680 O VAL A 48 4.374 0.713 -11.229 1.00 0.00 O ATOM 681 CB VAL A 48 3.532 3.463 -12.579 1.00 0.00 C ATOM 682 CG1 VAL A 48 2.610 4.681 -12.470 1.00 0.00 C ATOM 683 CG2 VAL A 48 4.742 3.664 -11.661 1.00 0.00 C ATOM 0 H VAL A 48 3.017 2.276 -10.044 1.00 0.00 H new ATOM 0 HA VAL A 48 1.938 2.003 -12.839 1.00 0.00 H new ATOM 0 HB VAL A 48 3.872 3.348 -13.608 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.154 5.577 -12.769 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.748 4.545 -13.124 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.270 4.789 -11.440 1.00 0.00 H new ATOM 0 HG21 VAL A 48 5.284 4.560 -11.964 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.403 3.776 -10.631 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.402 2.799 -11.734 1.00 0.00 H new ATOM 693 N PRO A 49 3.603 0.237 -13.257 1.00 0.00 N ATOM 694 CA PRO A 49 4.425 -0.987 -13.373 1.00 0.00 C ATOM 695 C PRO A 49 5.910 -0.633 -13.448 1.00 0.00 C ATOM 696 O PRO A 49 6.330 0.160 -14.267 1.00 0.00 O ATOM 697 CB PRO A 49 3.936 -1.629 -14.671 1.00 0.00 C ATOM 698 CG PRO A 49 3.356 -0.501 -15.459 1.00 0.00 C ATOM 699 CD PRO A 49 2.792 0.473 -14.459 1.00 0.00 C ATOM 0 HA PRO A 49 4.325 -1.654 -12.517 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.755 -2.107 -15.209 1.00 0.00 H new ATOM 0 HB3 PRO A 49 3.190 -2.399 -14.475 1.00 0.00 H new ATOM 0 HG2 PRO A 49 4.119 -0.026 -16.076 1.00 0.00 H new ATOM 0 HG3 PRO A 49 2.578 -0.859 -16.134 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.880 1.502 -14.807 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.734 0.289 -14.272 1.00 0.00 H new ATOM 707 N GLU A 50 6.699 -1.218 -12.583 1.00 0.00 N ATOM 708 CA GLU A 50 8.175 -0.942 -12.565 1.00 0.00 C ATOM 709 C GLU A 50 8.763 -0.893 -13.984 1.00 0.00 C ATOM 710 O GLU A 50 9.820 -0.344 -14.196 1.00 0.00 O ATOM 711 CB GLU A 50 8.789 -2.104 -11.782 1.00 0.00 C ATOM 712 CG GLU A 50 10.315 -1.969 -11.766 1.00 0.00 C ATOM 713 CD GLU A 50 10.868 -2.564 -10.470 1.00 0.00 C ATOM 714 OE1 GLU A 50 10.785 -3.772 -10.313 1.00 0.00 O ATOM 715 OE2 GLU A 50 11.366 -1.803 -9.657 1.00 0.00 O ATOM 0 H GLU A 50 6.383 -1.884 -11.878 1.00 0.00 H new ATOM 0 HA GLU A 50 8.387 0.028 -12.114 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.405 -2.111 -10.762 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.503 -3.052 -12.237 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.745 -2.482 -12.626 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.598 -0.920 -11.846 1.00 0.00 H new ATOM 722 N ASN A 51 8.105 -1.465 -14.955 1.00 0.00 N ATOM 723 CA ASN A 51 8.660 -1.424 -16.339 1.00 0.00 C ATOM 724 C ASN A 51 7.742 -0.612 -17.258 1.00 0.00 C ATOM 725 O ASN A 51 7.184 -1.127 -18.208 1.00 0.00 O ATOM 726 CB ASN A 51 8.731 -2.885 -16.791 1.00 0.00 C ATOM 727 CG ASN A 51 7.338 -3.515 -16.726 1.00 0.00 C ATOM 728 OD1 ASN A 51 6.857 -3.845 -15.661 1.00 0.00 O ATOM 729 ND2 ASN A 51 6.665 -3.696 -17.830 1.00 0.00 N ATOM 0 H ASN A 51 7.216 -1.954 -14.853 1.00 0.00 H new ATOM 0 HA ASN A 51 9.639 -0.946 -16.374 1.00 0.00 H new ATOM 0 HB2 ASN A 51 9.119 -2.942 -17.808 1.00 0.00 H new ATOM 0 HB3 ASN A 51 9.421 -3.439 -16.155 1.00 0.00 H new ATOM 0 HD21 ASN A 51 5.735 -4.115 -17.798 1.00 0.00 H new ATOM 0 HD22 ASN A 51 7.069 -3.419 -18.725 1.00 0.00 H new ATOM 736 N SER A 52 7.588 0.655 -16.982 1.00 0.00 N ATOM 737 CA SER A 52 6.714 1.511 -17.837 1.00 0.00 C ATOM 738 C SER A 52 7.454 2.793 -18.230 1.00 0.00 C ATOM 739 O SER A 52 8.354 3.236 -17.544 1.00 0.00 O ATOM 740 CB SER A 52 5.501 1.840 -16.965 1.00 0.00 C ATOM 741 OG SER A 52 4.314 1.482 -17.661 1.00 0.00 O ATOM 0 H SER A 52 8.031 1.136 -16.199 1.00 0.00 H new ATOM 0 HA SER A 52 6.426 1.011 -18.762 1.00 0.00 H new ATOM 0 HB2 SER A 52 5.560 1.300 -16.020 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.489 2.903 -16.724 1.00 0.00 H new ATOM 0 HG SER A 52 4.377 0.550 -17.957 1.00 0.00 H new ATOM 747 N SER A 53 7.077 3.393 -19.327 1.00 0.00 N ATOM 748 CA SER A 53 7.754 4.650 -19.764 1.00 0.00 C ATOM 749 C SER A 53 6.916 5.863 -19.350 1.00 0.00 C ATOM 750 O SER A 53 5.722 5.762 -19.151 1.00 0.00 O ATOM 751 CB SER A 53 7.834 4.548 -21.287 1.00 0.00 C ATOM 752 OG SER A 53 9.011 3.837 -21.648 1.00 0.00 O ATOM 0 H SER A 53 6.330 3.068 -19.940 1.00 0.00 H new ATOM 0 HA SER A 53 8.739 4.771 -19.314 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.953 4.037 -21.676 1.00 0.00 H new ATOM 0 HB3 SER A 53 7.846 5.544 -21.730 1.00 0.00 H new ATOM 0 HG SER A 53 9.065 3.768 -22.624 1.00 0.00 H new ATOM 758 N VAL A 54 7.532 7.008 -19.217 1.00 0.00 N ATOM 759 CA VAL A 54 6.765 8.223 -18.814 1.00 0.00 C ATOM 760 C VAL A 54 5.683 8.545 -19.844 1.00 0.00 C ATOM 761 O VAL A 54 4.637 9.032 -19.498 1.00 0.00 O ATOM 762 CB VAL A 54 7.779 9.359 -18.718 1.00 0.00 C ATOM 763 CG1 VAL A 54 7.044 10.677 -18.423 1.00 0.00 C ATOM 764 CG2 VAL A 54 8.761 9.055 -17.583 1.00 0.00 C ATOM 0 H VAL A 54 8.530 7.154 -19.369 1.00 0.00 H new ATOM 0 HA VAL A 54 6.257 8.071 -17.862 1.00 0.00 H new ATOM 0 HB VAL A 54 8.321 9.452 -19.659 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.767 11.489 -18.354 1.00 0.00 H new ATOM 0 HG12 VAL A 54 6.338 10.887 -19.226 1.00 0.00 H new ATOM 0 HG13 VAL A 54 6.505 10.590 -17.479 1.00 0.00 H new ATOM 0 HG21 VAL A 54 9.490 9.862 -17.507 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.216 8.969 -16.643 1.00 0.00 H new ATOM 0 HG23 VAL A 54 9.278 8.118 -17.790 1.00 0.00 H new ATOM 774 N GLN A 55 5.928 8.299 -21.104 1.00 0.00 N ATOM 775 CA GLN A 55 4.894 8.622 -22.140 1.00 0.00 C ATOM 776 C GLN A 55 3.520 8.076 -21.722 1.00 0.00 C ATOM 777 O GLN A 55 2.516 8.756 -21.828 1.00 0.00 O ATOM 778 CB GLN A 55 5.381 7.928 -23.416 1.00 0.00 C ATOM 779 CG GLN A 55 5.294 8.900 -24.594 1.00 0.00 C ATOM 780 CD GLN A 55 6.155 8.381 -25.747 1.00 0.00 C ATOM 781 OE1 GLN A 55 5.884 7.333 -26.299 1.00 0.00 O ATOM 782 NE2 GLN A 55 7.191 9.075 -26.135 1.00 0.00 N ATOM 0 H GLN A 55 6.792 7.891 -21.462 1.00 0.00 H new ATOM 0 HA GLN A 55 4.775 9.697 -22.277 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.408 7.588 -23.287 1.00 0.00 H new ATOM 0 HB3 GLN A 55 4.775 7.044 -23.615 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.258 9.004 -24.918 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.634 9.890 -24.289 1.00 0.00 H new ATOM 0 HE21 GLN A 55 7.418 9.955 -25.671 1.00 0.00 H new ATOM 0 HE22 GLN A 55 7.773 8.737 -26.902 1.00 0.00 H new ATOM 791 N GLN A 56 3.470 6.865 -21.235 1.00 0.00 N ATOM 792 CA GLN A 56 2.162 6.288 -20.799 1.00 0.00 C ATOM 793 C GLN A 56 1.672 7.002 -19.535 1.00 0.00 C ATOM 794 O GLN A 56 0.553 7.471 -19.467 1.00 0.00 O ATOM 795 CB GLN A 56 2.453 4.815 -20.507 1.00 0.00 C ATOM 796 CG GLN A 56 1.196 3.980 -20.775 1.00 0.00 C ATOM 797 CD GLN A 56 1.373 3.190 -22.075 1.00 0.00 C ATOM 798 OE1 GLN A 56 1.763 2.040 -22.051 1.00 0.00 O ATOM 799 NE2 GLN A 56 1.100 3.763 -23.215 1.00 0.00 N ATOM 0 H GLN A 56 4.276 6.250 -21.120 1.00 0.00 H new ATOM 0 HA GLN A 56 1.385 6.404 -21.554 1.00 0.00 H new ATOM 0 HB2 GLN A 56 3.274 4.465 -21.132 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.768 4.695 -19.470 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.016 3.298 -19.944 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.324 4.630 -20.848 1.00 0.00 H new ATOM 0 HE21 GLN A 56 0.772 4.729 -23.235 1.00 0.00 H new ATOM 0 HE22 GLN A 56 1.214 3.245 -24.086 1.00 0.00 H new ATOM 808 N PHE A 57 2.509 7.089 -18.535 1.00 0.00 N ATOM 809 CA PHE A 57 2.110 7.777 -17.269 1.00 0.00 C ATOM 810 C PHE A 57 1.746 9.239 -17.555 1.00 0.00 C ATOM 811 O PHE A 57 0.843 9.795 -16.959 1.00 0.00 O ATOM 812 CB PHE A 57 3.345 7.693 -16.367 1.00 0.00 C ATOM 813 CG PHE A 57 3.113 8.491 -15.105 1.00 0.00 C ATOM 814 CD1 PHE A 57 2.467 7.903 -14.012 1.00 0.00 C ATOM 815 CD2 PHE A 57 3.544 9.822 -15.031 1.00 0.00 C ATOM 816 CE1 PHE A 57 2.252 8.646 -12.844 1.00 0.00 C ATOM 817 CE2 PHE A 57 3.328 10.563 -13.864 1.00 0.00 C ATOM 818 CZ PHE A 57 2.683 9.976 -12.770 1.00 0.00 C ATOM 0 H PHE A 57 3.457 6.712 -18.540 1.00 0.00 H new ATOM 0 HA PHE A 57 1.237 7.319 -16.805 1.00 0.00 H new ATOM 0 HB2 PHE A 57 3.554 6.653 -16.117 1.00 0.00 H new ATOM 0 HB3 PHE A 57 4.219 8.076 -16.895 1.00 0.00 H new ATOM 0 HD1 PHE A 57 2.134 6.877 -14.069 1.00 0.00 H new ATOM 0 HD2 PHE A 57 4.043 10.276 -15.875 1.00 0.00 H new ATOM 0 HE1 PHE A 57 1.753 8.193 -12.000 1.00 0.00 H new ATOM 0 HE2 PHE A 57 3.660 11.589 -13.808 1.00 0.00 H new ATOM 0 HZ PHE A 57 2.518 10.548 -11.869 1.00 0.00 H new ATOM 828 N LYS A 58 2.453 9.862 -18.456 1.00 0.00 N ATOM 829 CA LYS A 58 2.173 11.288 -18.788 1.00 0.00 C ATOM 830 C LYS A 58 0.721 11.438 -19.246 1.00 0.00 C ATOM 831 O LYS A 58 0.012 12.328 -18.817 1.00 0.00 O ATOM 832 CB LYS A 58 3.128 11.632 -19.936 1.00 0.00 C ATOM 833 CG LYS A 58 4.208 12.592 -19.433 1.00 0.00 C ATOM 834 CD LYS A 58 4.884 13.266 -20.627 1.00 0.00 C ATOM 835 CE LYS A 58 3.979 14.374 -21.167 1.00 0.00 C ATOM 836 NZ LYS A 58 4.509 14.677 -22.525 1.00 0.00 N ATOM 0 H LYS A 58 3.219 9.441 -18.981 1.00 0.00 H new ATOM 0 HA LYS A 58 2.316 11.946 -17.931 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.587 10.723 -20.325 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.576 12.088 -20.758 1.00 0.00 H new ATOM 0 HG2 LYS A 58 3.766 13.344 -18.779 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.946 12.049 -18.842 1.00 0.00 H new ATOM 0 HD2 LYS A 58 5.846 13.682 -20.327 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.083 12.532 -21.408 1.00 0.00 H new ATOM 0 HE2 LYS A 58 2.940 14.048 -21.213 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.009 15.255 -20.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 3.755 15.096 -23.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.300 15.348 -22.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 4.843 13.799 -22.971 1.00 0.00 H new ATOM 850 N GLU A 59 0.274 10.567 -20.112 1.00 0.00 N ATOM 851 CA GLU A 59 -1.135 10.652 -20.596 1.00 0.00 C ATOM 852 C GLU A 59 -2.100 10.196 -19.496 1.00 0.00 C ATOM 853 O GLU A 59 -3.276 10.502 -19.525 1.00 0.00 O ATOM 854 CB GLU A 59 -1.203 9.706 -21.795 1.00 0.00 C ATOM 855 CG GLU A 59 -2.212 10.243 -22.812 1.00 0.00 C ATOM 856 CD GLU A 59 -1.894 9.676 -24.196 1.00 0.00 C ATOM 857 OE1 GLU A 59 -0.752 9.788 -24.612 1.00 0.00 O ATOM 858 OE2 GLU A 59 -2.796 9.140 -24.817 1.00 0.00 O ATOM 0 H GLU A 59 0.823 9.802 -20.504 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.417 11.670 -20.866 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -0.219 9.615 -22.256 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -1.496 8.708 -21.468 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -3.224 9.965 -22.517 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -2.175 11.332 -22.836 1.00 0.00 H new ATOM 865 N ALA A 60 -1.613 9.464 -18.527 1.00 0.00 N ATOM 866 CA ALA A 60 -2.503 8.990 -17.426 1.00 0.00 C ATOM 867 C ALA A 60 -3.009 10.179 -16.604 1.00 0.00 C ATOM 868 O ALA A 60 -4.194 10.336 -16.389 1.00 0.00 O ATOM 869 CB ALA A 60 -1.628 8.077 -16.567 1.00 0.00 C ATOM 0 H ALA A 60 -0.638 9.174 -18.451 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.382 8.469 -17.805 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.215 7.689 -15.734 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.264 7.247 -17.173 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.781 8.643 -16.181 1.00 0.00 H new ATOM 875 N ILE A 61 -2.118 11.017 -16.142 1.00 0.00 N ATOM 876 CA ILE A 61 -2.551 12.196 -15.335 1.00 0.00 C ATOM 877 C ILE A 61 -3.411 13.128 -16.196 1.00 0.00 C ATOM 878 O ILE A 61 -4.415 13.644 -15.753 1.00 0.00 O ATOM 879 CB ILE A 61 -1.248 12.883 -14.899 1.00 0.00 C ATOM 880 CG1 ILE A 61 -0.659 12.125 -13.705 1.00 0.00 C ATOM 881 CG2 ILE A 61 -1.523 14.335 -14.487 1.00 0.00 C ATOM 882 CD1 ILE A 61 0.663 12.771 -13.285 1.00 0.00 C ATOM 0 H ILE A 61 -1.112 10.936 -16.288 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.158 11.917 -14.474 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.546 12.878 -15.733 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.362 12.137 -12.872 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.496 11.080 -13.970 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.591 14.809 -14.181 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.946 14.879 -15.332 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.228 14.350 -13.656 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.079 12.229 -12.436 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.366 12.736 -14.117 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.487 13.809 -13.002 1.00 0.00 H new ATOM 894 N SER A 62 -3.029 13.347 -17.422 1.00 0.00 N ATOM 895 CA SER A 62 -3.833 14.248 -18.299 1.00 0.00 C ATOM 896 C SER A 62 -5.296 13.791 -18.332 1.00 0.00 C ATOM 897 O SER A 62 -6.203 14.566 -18.105 1.00 0.00 O ATOM 898 CB SER A 62 -3.200 14.125 -19.685 1.00 0.00 C ATOM 899 OG SER A 62 -3.548 12.869 -20.251 1.00 0.00 O ATOM 0 H SER A 62 -2.198 12.944 -17.856 1.00 0.00 H new ATOM 0 HA SER A 62 -3.831 15.278 -17.942 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.545 14.935 -20.328 1.00 0.00 H new ATOM 0 HB3 SER A 62 -2.116 14.216 -19.612 1.00 0.00 H new ATOM 0 HG SER A 62 -3.295 12.151 -19.634 1.00 0.00 H new ATOM 905 N LYS A 63 -5.530 12.539 -18.621 1.00 0.00 N ATOM 906 CA LYS A 63 -6.934 12.031 -18.677 1.00 0.00 C ATOM 907 C LYS A 63 -7.580 12.004 -17.283 1.00 0.00 C ATOM 908 O LYS A 63 -8.650 12.541 -17.079 1.00 0.00 O ATOM 909 CB LYS A 63 -6.817 10.613 -19.236 1.00 0.00 C ATOM 910 CG LYS A 63 -8.204 10.100 -19.629 1.00 0.00 C ATOM 911 CD LYS A 63 -8.496 10.473 -21.087 1.00 0.00 C ATOM 912 CE LYS A 63 -8.940 9.226 -21.858 1.00 0.00 C ATOM 913 NZ LYS A 63 -10.214 8.808 -21.210 1.00 0.00 N ATOM 0 H LYS A 63 -4.810 11.845 -18.821 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.566 12.673 -19.291 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.157 10.606 -20.103 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.372 9.953 -18.491 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.252 9.018 -19.503 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.961 10.531 -18.974 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -9.274 11.235 -21.129 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.606 10.901 -21.549 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.088 9.447 -22.915 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.190 8.437 -21.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.809 8.311 -21.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -10.006 8.172 -20.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.718 9.648 -20.860 1.00 0.00 H new ATOM 927 N ARG A 64 -6.951 11.364 -16.329 1.00 0.00 N ATOM 928 CA ARG A 64 -7.551 11.284 -14.959 1.00 0.00 C ATOM 929 C ARG A 64 -7.479 12.633 -14.236 1.00 0.00 C ATOM 930 O ARG A 64 -8.477 13.149 -13.770 1.00 0.00 O ATOM 931 CB ARG A 64 -6.707 10.242 -14.221 1.00 0.00 C ATOM 932 CG ARG A 64 -6.780 8.900 -14.960 1.00 0.00 C ATOM 933 CD ARG A 64 -7.563 7.886 -14.118 1.00 0.00 C ATOM 934 NE ARG A 64 -8.772 7.564 -14.927 1.00 0.00 N ATOM 935 CZ ARG A 64 -8.664 6.830 -16.001 1.00 0.00 C ATOM 936 NH1 ARG A 64 -7.939 5.745 -15.980 1.00 0.00 N ATOM 937 NH2 ARG A 64 -9.279 7.182 -17.096 1.00 0.00 N ATOM 0 H ARG A 64 -6.052 10.895 -16.437 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.607 11.017 -15.001 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -5.672 10.577 -14.157 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.068 10.125 -13.199 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.263 9.033 -15.928 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.775 8.526 -15.154 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -6.969 6.993 -13.923 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.836 8.305 -13.149 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.685 7.918 -14.641 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -7.457 5.470 -15.124 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -7.855 5.172 -16.819 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -9.844 8.031 -17.113 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -9.195 6.608 -17.935 1.00 0.00 H new ATOM 951 N PHE A 65 -6.311 13.207 -14.134 1.00 0.00 N ATOM 952 CA PHE A 65 -6.181 14.522 -13.436 1.00 0.00 C ATOM 953 C PHE A 65 -6.875 15.621 -14.246 1.00 0.00 C ATOM 954 O PHE A 65 -7.464 16.531 -13.695 1.00 0.00 O ATOM 955 CB PHE A 65 -4.674 14.785 -13.333 1.00 0.00 C ATOM 956 CG PHE A 65 -4.308 15.074 -11.896 1.00 0.00 C ATOM 957 CD1 PHE A 65 -4.987 16.069 -11.184 1.00 0.00 C ATOM 958 CD2 PHE A 65 -3.288 14.340 -11.274 1.00 0.00 C ATOM 959 CE1 PHE A 65 -4.647 16.332 -9.851 1.00 0.00 C ATOM 960 CE2 PHE A 65 -2.950 14.602 -9.942 1.00 0.00 C ATOM 961 CZ PHE A 65 -3.629 15.598 -9.230 1.00 0.00 C ATOM 0 H PHE A 65 -5.441 12.824 -14.503 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.650 14.512 -12.452 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -4.118 13.920 -13.694 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -4.397 15.628 -13.966 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.773 16.634 -11.662 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -2.763 13.572 -11.823 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -5.170 17.101 -9.302 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -2.165 14.036 -9.463 1.00 0.00 H new ATOM 0 HZ PHE A 65 -3.368 15.800 -8.202 1.00 0.00 H new ATOM 971 N LYS A 66 -6.800 15.544 -15.553 1.00 0.00 N ATOM 972 CA LYS A 66 -7.446 16.580 -16.422 1.00 0.00 C ATOM 973 C LYS A 66 -6.716 17.918 -16.282 1.00 0.00 C ATOM 974 O LYS A 66 -7.138 18.795 -15.555 1.00 0.00 O ATOM 975 CB LYS A 66 -8.893 16.698 -15.932 1.00 0.00 C ATOM 976 CG LYS A 66 -9.786 17.154 -17.088 1.00 0.00 C ATOM 977 CD LYS A 66 -11.216 16.665 -16.852 1.00 0.00 C ATOM 978 CE LYS A 66 -11.908 17.582 -15.840 1.00 0.00 C ATOM 979 NZ LYS A 66 -13.358 17.273 -15.971 1.00 0.00 N ATOM 0 H LYS A 66 -6.316 14.803 -16.059 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.407 16.304 -17.476 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.238 15.738 -15.548 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -8.953 17.410 -15.109 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -9.770 18.241 -17.167 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -9.407 16.761 -18.031 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -11.769 16.659 -17.791 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -11.205 15.640 -16.482 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -11.553 17.391 -14.827 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -11.707 18.631 -16.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -13.900 17.863 -15.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -13.669 17.471 -16.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -13.520 16.269 -15.753 1.00 0.00 H new ATOM 993 N SER A 67 -5.622 18.076 -16.978 1.00 0.00 N ATOM 994 CA SER A 67 -4.856 19.354 -16.896 1.00 0.00 C ATOM 995 C SER A 67 -4.078 19.585 -18.194 1.00 0.00 C ATOM 996 O SER A 67 -4.342 20.518 -18.929 1.00 0.00 O ATOM 997 CB SER A 67 -3.896 19.165 -15.722 1.00 0.00 C ATOM 998 OG SER A 67 -3.061 20.311 -15.608 1.00 0.00 O ATOM 0 H SER A 67 -5.225 17.373 -17.601 1.00 0.00 H new ATOM 0 HA SER A 67 -5.505 20.218 -16.756 1.00 0.00 H new ATOM 0 HB2 SER A 67 -4.457 19.016 -14.799 1.00 0.00 H new ATOM 0 HB3 SER A 67 -3.289 18.272 -15.874 1.00 0.00 H new ATOM 0 HG SER A 67 -2.445 20.193 -14.855 1.00 0.00 H new ATOM 1004 N GLN A 68 -3.122 18.743 -18.481 1.00 0.00 N ATOM 1005 CA GLN A 68 -2.325 18.909 -19.733 1.00 0.00 C ATOM 1006 C GLN A 68 -1.487 17.655 -19.993 1.00 0.00 C ATOM 1007 O GLN A 68 -1.565 16.683 -19.267 1.00 0.00 O ATOM 1008 CB GLN A 68 -1.422 20.115 -19.471 1.00 0.00 C ATOM 1009 CG GLN A 68 -1.314 20.962 -20.743 1.00 0.00 C ATOM 1010 CD GLN A 68 -1.433 22.444 -20.384 1.00 0.00 C ATOM 1011 OE1 GLN A 68 -2.203 22.813 -19.518 1.00 0.00 O ATOM 1012 NE2 GLN A 68 -0.697 23.317 -21.016 1.00 0.00 N ATOM 0 H GLN A 68 -2.857 17.946 -17.902 1.00 0.00 H new ATOM 0 HA GLN A 68 -2.956 19.057 -20.610 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -1.827 20.715 -18.656 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -0.432 19.780 -19.160 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -0.362 20.773 -21.238 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -2.100 20.683 -21.445 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -0.051 23.009 -21.742 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -0.768 24.308 -20.783 1.00 0.00 H new ATOM 1021 N THR A 69 -0.684 17.668 -21.024 1.00 0.00 N ATOM 1022 CA THR A 69 0.159 16.475 -21.331 1.00 0.00 C ATOM 1023 C THR A 69 1.503 16.913 -21.922 1.00 0.00 C ATOM 1024 O THR A 69 2.547 16.692 -21.341 1.00 0.00 O ATOM 1025 CB THR A 69 -0.646 15.669 -22.353 1.00 0.00 C ATOM 1026 OG1 THR A 69 -2.025 15.716 -22.014 1.00 0.00 O ATOM 1027 CG2 THR A 69 -0.168 14.216 -22.351 1.00 0.00 C ATOM 0 H THR A 69 -0.575 18.453 -21.667 1.00 0.00 H new ATOM 0 HA THR A 69 0.383 15.888 -20.440 1.00 0.00 H new ATOM 0 HB THR A 69 -0.502 16.096 -23.346 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.541 15.201 -22.669 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.742 13.643 -23.079 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.889 14.180 -22.613 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.310 13.788 -21.359 1.00 0.00 H new ATOM 1035 N ASP A 70 1.486 17.533 -23.074 1.00 0.00 N ATOM 1036 CA ASP A 70 2.765 17.984 -23.702 1.00 0.00 C ATOM 1037 C ASP A 70 3.554 18.867 -22.731 1.00 0.00 C ATOM 1038 O ASP A 70 4.642 18.525 -22.310 1.00 0.00 O ATOM 1039 CB ASP A 70 2.342 18.788 -24.934 1.00 0.00 C ATOM 1040 CG ASP A 70 3.463 18.755 -25.974 1.00 0.00 C ATOM 1041 OD1 ASP A 70 4.382 19.547 -25.850 1.00 0.00 O ATOM 1042 OD2 ASP A 70 3.383 17.939 -26.877 1.00 0.00 O ATOM 0 H ASP A 70 0.643 17.746 -23.607 1.00 0.00 H new ATOM 0 HA ASP A 70 3.411 17.146 -23.963 1.00 0.00 H new ATOM 0 HB2 ASP A 70 1.427 18.372 -25.356 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.123 19.818 -24.652 1.00 0.00 H new ATOM 1047 N GLN A 71 3.012 19.999 -22.371 1.00 0.00 N ATOM 1048 CA GLN A 71 3.725 20.906 -21.424 1.00 0.00 C ATOM 1049 C GLN A 71 3.800 20.266 -20.034 1.00 0.00 C ATOM 1050 O GLN A 71 4.675 20.570 -19.247 1.00 0.00 O ATOM 1051 CB GLN A 71 2.882 22.180 -21.381 1.00 0.00 C ATOM 1052 CG GLN A 71 3.125 22.997 -22.650 1.00 0.00 C ATOM 1053 CD GLN A 71 2.124 24.153 -22.711 1.00 0.00 C ATOM 1054 OE1 GLN A 71 2.299 25.158 -22.051 1.00 0.00 O ATOM 1055 NE2 GLN A 71 1.075 24.052 -23.479 1.00 0.00 N ATOM 0 H GLN A 71 2.104 20.336 -22.692 1.00 0.00 H new ATOM 0 HA GLN A 71 4.749 21.106 -21.738 1.00 0.00 H new ATOM 0 HB2 GLN A 71 1.825 21.927 -21.296 1.00 0.00 H new ATOM 0 HB3 GLN A 71 3.140 22.770 -20.501 1.00 0.00 H new ATOM 0 HG2 GLN A 71 4.144 23.383 -22.657 1.00 0.00 H new ATOM 0 HG3 GLN A 71 3.018 22.363 -23.530 1.00 0.00 H new ATOM 0 HE21 GLN A 71 0.928 23.208 -24.033 1.00 0.00 H new ATOM 0 HE22 GLN A 71 0.402 24.817 -23.526 1.00 0.00 H new ATOM 1064 N LEU A 72 2.882 19.390 -19.725 1.00 0.00 N ATOM 1065 CA LEU A 72 2.891 18.735 -18.384 1.00 0.00 C ATOM 1066 C LEU A 72 4.180 17.934 -18.178 1.00 0.00 C ATOM 1067 O LEU A 72 4.525 17.075 -18.965 1.00 0.00 O ATOM 1068 CB LEU A 72 1.679 17.801 -18.386 1.00 0.00 C ATOM 1069 CG LEU A 72 1.278 17.477 -16.943 1.00 0.00 C ATOM 1070 CD1 LEU A 72 -0.159 17.938 -16.692 1.00 0.00 C ATOM 1071 CD2 LEU A 72 1.373 15.966 -16.712 1.00 0.00 C ATOM 0 H LEU A 72 2.125 19.099 -20.344 1.00 0.00 H new ATOM 0 HA LEU A 72 2.845 19.467 -17.578 1.00 0.00 H new ATOM 0 HB2 LEU A 72 0.846 18.271 -18.909 1.00 0.00 H new ATOM 0 HB3 LEU A 72 1.916 16.883 -18.923 1.00 0.00 H new ATOM 0 HG LEU A 72 1.950 17.994 -16.259 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.441 17.706 -15.665 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.230 19.014 -16.854 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.831 17.423 -17.378 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.088 15.736 -15.685 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.702 15.450 -17.399 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.397 15.635 -16.887 1.00 0.00 H new ATOM 1083 N VAL A 73 4.887 18.210 -17.116 1.00 0.00 N ATOM 1084 CA VAL A 73 6.151 17.470 -16.830 1.00 0.00 C ATOM 1085 C VAL A 73 6.365 17.406 -15.316 1.00 0.00 C ATOM 1086 O VAL A 73 5.699 18.089 -14.563 1.00 0.00 O ATOM 1087 CB VAL A 73 7.256 18.291 -17.500 1.00 0.00 C ATOM 1088 CG1 VAL A 73 8.619 17.659 -17.206 1.00 0.00 C ATOM 1089 CG2 VAL A 73 7.027 18.315 -19.013 1.00 0.00 C ATOM 0 H VAL A 73 4.642 18.922 -16.428 1.00 0.00 H new ATOM 0 HA VAL A 73 6.136 16.446 -17.202 1.00 0.00 H new ATOM 0 HB VAL A 73 7.235 19.308 -17.109 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.403 18.246 -17.684 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.786 17.639 -16.129 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.639 16.641 -17.595 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.813 18.899 -19.491 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.046 17.296 -19.400 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.058 18.767 -19.227 1.00 0.00 H new ATOM 1099 N LEU A 74 7.283 16.595 -14.857 1.00 0.00 N ATOM 1100 CA LEU A 74 7.515 16.510 -13.388 1.00 0.00 C ATOM 1101 C LEU A 74 8.944 16.942 -13.058 1.00 0.00 C ATOM 1102 O LEU A 74 9.886 16.563 -13.721 1.00 0.00 O ATOM 1103 CB LEU A 74 7.295 15.037 -13.037 1.00 0.00 C ATOM 1104 CG LEU A 74 5.973 14.872 -12.282 1.00 0.00 C ATOM 1105 CD1 LEU A 74 6.015 15.687 -10.987 1.00 0.00 C ATOM 1106 CD2 LEU A 74 4.816 15.365 -13.156 1.00 0.00 C ATOM 0 H LEU A 74 7.875 15.995 -15.430 1.00 0.00 H new ATOM 0 HA LEU A 74 6.850 17.162 -12.822 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.282 14.436 -13.946 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.121 14.673 -12.426 1.00 0.00 H new ATOM 0 HG LEU A 74 5.825 13.819 -12.044 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.073 15.568 -10.451 1.00 0.00 H new ATOM 0 HD12 LEU A 74 6.835 15.334 -10.362 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.167 16.740 -11.225 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.876 15.246 -12.616 1.00 0.00 H new ATOM 0 HD22 LEU A 74 4.965 16.417 -13.398 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.782 14.783 -14.077 1.00 0.00 H new ATOM 1118 N ILE A 75 9.107 17.737 -12.038 1.00 0.00 N ATOM 1119 CA ILE A 75 10.470 18.199 -11.659 1.00 0.00 C ATOM 1120 C ILE A 75 11.022 17.326 -10.533 1.00 0.00 C ATOM 1121 O ILE A 75 10.732 17.535 -9.371 1.00 0.00 O ATOM 1122 CB ILE A 75 10.285 19.641 -11.184 1.00 0.00 C ATOM 1123 CG1 ILE A 75 9.737 20.490 -12.338 1.00 0.00 C ATOM 1124 CG2 ILE A 75 11.630 20.207 -10.723 1.00 0.00 C ATOM 1125 CD1 ILE A 75 10.724 20.472 -13.509 1.00 0.00 C ATOM 0 H ILE A 75 8.352 18.088 -11.449 1.00 0.00 H new ATOM 0 HA ILE A 75 11.176 18.135 -12.487 1.00 0.00 H new ATOM 0 HB ILE A 75 9.582 19.662 -10.351 1.00 0.00 H new ATOM 0 HG12 ILE A 75 8.770 20.103 -12.659 1.00 0.00 H new ATOM 0 HG13 ILE A 75 9.575 21.514 -12.003 1.00 0.00 H new ATOM 0 HG21 ILE A 75 11.496 21.235 -10.385 1.00 0.00 H new ATOM 0 HG22 ILE A 75 12.017 19.603 -9.903 1.00 0.00 H new ATOM 0 HG23 ILE A 75 12.337 20.187 -11.553 1.00 0.00 H new ATOM 0 HD11 ILE A 75 10.330 21.076 -14.326 1.00 0.00 H new ATOM 0 HD12 ILE A 75 11.681 20.880 -13.184 1.00 0.00 H new ATOM 0 HD13 ILE A 75 10.864 19.447 -13.851 1.00 0.00 H new ATOM 1137 N PHE A 76 11.814 16.346 -10.874 1.00 0.00 N ATOM 1138 CA PHE A 76 12.389 15.453 -9.827 1.00 0.00 C ATOM 1139 C PHE A 76 13.787 15.937 -9.427 1.00 0.00 C ATOM 1140 O PHE A 76 14.750 15.748 -10.145 1.00 0.00 O ATOM 1141 CB PHE A 76 12.460 14.072 -10.483 1.00 0.00 C ATOM 1142 CG PHE A 76 13.082 13.070 -9.532 1.00 0.00 C ATOM 1143 CD1 PHE A 76 12.828 13.147 -8.154 1.00 0.00 C ATOM 1144 CD2 PHE A 76 13.914 12.061 -10.031 1.00 0.00 C ATOM 1145 CE1 PHE A 76 13.407 12.218 -7.282 1.00 0.00 C ATOM 1146 CE2 PHE A 76 14.493 11.132 -9.157 1.00 0.00 C ATOM 1147 CZ PHE A 76 14.240 11.211 -7.784 1.00 0.00 C ATOM 0 H PHE A 76 12.088 16.125 -11.831 1.00 0.00 H new ATOM 0 HA PHE A 76 11.789 15.440 -8.917 1.00 0.00 H new ATOM 0 HB2 PHE A 76 11.460 13.744 -10.765 1.00 0.00 H new ATOM 0 HB3 PHE A 76 13.047 14.127 -11.400 1.00 0.00 H new ATOM 0 HD1 PHE A 76 12.185 13.924 -7.766 1.00 0.00 H new ATOM 0 HD2 PHE A 76 14.110 11.999 -11.091 1.00 0.00 H new ATOM 0 HE1 PHE A 76 13.211 12.278 -6.222 1.00 0.00 H new ATOM 0 HE2 PHE A 76 15.135 10.354 -9.544 1.00 0.00 H new ATOM 0 HZ PHE A 76 14.687 10.495 -7.111 1.00 0.00 H new ATOM 1157 N ALA A 77 13.902 16.560 -8.282 1.00 0.00 N ATOM 1158 CA ALA A 77 15.233 17.061 -7.822 1.00 0.00 C ATOM 1159 C ALA A 77 15.890 17.925 -8.904 1.00 0.00 C ATOM 1160 O ALA A 77 17.092 17.906 -9.079 1.00 0.00 O ATOM 1161 CB ALA A 77 16.065 15.805 -7.560 1.00 0.00 C ATOM 0 H ALA A 77 13.128 16.744 -7.643 1.00 0.00 H new ATOM 0 HA ALA A 77 15.146 17.686 -6.933 1.00 0.00 H new ATOM 0 HB1 ALA A 77 17.059 16.092 -7.218 1.00 0.00 H new ATOM 0 HB2 ALA A 77 15.579 15.199 -6.795 1.00 0.00 H new ATOM 0 HB3 ALA A 77 16.151 15.227 -8.480 1.00 0.00 H new ATOM 1167 N GLY A 78 15.110 18.681 -9.630 1.00 0.00 N ATOM 1168 CA GLY A 78 15.690 19.545 -10.698 1.00 0.00 C ATOM 1169 C GLY A 78 15.576 18.838 -12.048 1.00 0.00 C ATOM 1170 O GLY A 78 15.277 19.448 -13.056 1.00 0.00 O ATOM 0 H GLY A 78 14.097 18.737 -9.529 1.00 0.00 H new ATOM 0 HA2 GLY A 78 15.166 20.500 -10.731 1.00 0.00 H new ATOM 0 HA3 GLY A 78 16.735 19.762 -10.477 1.00 0.00 H new ATOM 1174 N LYS A 79 15.811 17.553 -12.079 1.00 0.00 N ATOM 1175 CA LYS A 79 15.716 16.804 -13.369 1.00 0.00 C ATOM 1176 C LYS A 79 14.303 16.928 -13.945 1.00 0.00 C ATOM 1177 O LYS A 79 13.447 17.582 -13.380 1.00 0.00 O ATOM 1178 CB LYS A 79 16.028 15.346 -13.015 1.00 0.00 C ATOM 1179 CG LYS A 79 17.323 14.916 -13.709 1.00 0.00 C ATOM 1180 CD LYS A 79 18.514 15.208 -12.795 1.00 0.00 C ATOM 1181 CE LYS A 79 19.728 15.597 -13.643 1.00 0.00 C ATOM 1182 NZ LYS A 79 20.761 16.028 -12.661 1.00 0.00 N ATOM 0 H LYS A 79 16.065 16.989 -11.268 1.00 0.00 H new ATOM 0 HA LYS A 79 16.403 17.191 -14.121 1.00 0.00 H new ATOM 0 HB2 LYS A 79 16.128 15.237 -11.935 1.00 0.00 H new ATOM 0 HB3 LYS A 79 15.206 14.702 -13.326 1.00 0.00 H new ATOM 0 HG2 LYS A 79 17.285 13.853 -13.946 1.00 0.00 H new ATOM 0 HG3 LYS A 79 17.436 15.449 -14.653 1.00 0.00 H new ATOM 0 HD2 LYS A 79 18.266 16.014 -12.105 1.00 0.00 H new ATOM 0 HD3 LYS A 79 18.746 14.331 -12.191 1.00 0.00 H new ATOM 0 HE2 LYS A 79 20.078 14.755 -14.241 1.00 0.00 H new ATOM 0 HE3 LYS A 79 19.483 16.401 -14.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 21.625 16.310 -13.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 20.402 16.835 -12.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 20.979 15.240 -12.018 1.00 0.00 H new ATOM 1196 N ILE A 80 14.049 16.299 -15.062 1.00 0.00 N ATOM 1197 CA ILE A 80 12.684 16.380 -15.669 1.00 0.00 C ATOM 1198 C ILE A 80 12.034 15.002 -15.719 1.00 0.00 C ATOM 1199 O ILE A 80 12.222 14.259 -16.661 1.00 0.00 O ATOM 1200 CB ILE A 80 12.844 16.923 -17.106 1.00 0.00 C ATOM 1201 CG1 ILE A 80 14.261 16.674 -17.648 1.00 0.00 C ATOM 1202 CG2 ILE A 80 12.566 18.427 -17.112 1.00 0.00 C ATOM 1203 CD1 ILE A 80 14.467 15.177 -17.884 1.00 0.00 C ATOM 0 H ILE A 80 14.723 15.735 -15.580 1.00 0.00 H new ATOM 0 HA ILE A 80 12.050 17.033 -15.069 1.00 0.00 H new ATOM 0 HB ILE A 80 12.134 16.399 -17.746 1.00 0.00 H new ATOM 0 HG12 ILE A 80 14.406 17.222 -18.579 1.00 0.00 H new ATOM 0 HG13 ILE A 80 15.002 17.046 -16.940 1.00 0.00 H new ATOM 0 HG21 ILE A 80 12.678 18.814 -18.125 1.00 0.00 H new ATOM 0 HG22 ILE A 80 11.550 18.611 -16.764 1.00 0.00 H new ATOM 0 HG23 ILE A 80 13.272 18.930 -16.451 1.00 0.00 H new ATOM 0 HD11 ILE A 80 15.472 15.004 -18.268 1.00 0.00 H new ATOM 0 HD12 ILE A 80 14.340 14.640 -16.944 1.00 0.00 H new ATOM 0 HD13 ILE A 80 13.735 14.819 -18.608 1.00 0.00 H new ATOM 1215 N LEU A 81 11.245 14.660 -14.734 1.00 0.00 N ATOM 1216 CA LEU A 81 10.564 13.336 -14.774 1.00 0.00 C ATOM 1217 C LEU A 81 9.595 13.342 -15.953 1.00 0.00 C ATOM 1218 O LEU A 81 8.415 13.600 -15.807 1.00 0.00 O ATOM 1219 CB LEU A 81 9.812 13.210 -13.446 1.00 0.00 C ATOM 1220 CG LEU A 81 10.195 11.896 -12.759 1.00 0.00 C ATOM 1221 CD1 LEU A 81 11.706 11.862 -12.513 1.00 0.00 C ATOM 1222 CD2 LEU A 81 9.455 11.786 -11.422 1.00 0.00 C ATOM 0 H LEU A 81 11.045 15.233 -13.914 1.00 0.00 H new ATOM 0 HA LEU A 81 11.253 12.501 -14.899 1.00 0.00 H new ATOM 0 HB2 LEU A 81 10.053 14.054 -12.799 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.737 13.240 -13.622 1.00 0.00 H new ATOM 0 HG LEU A 81 9.917 11.059 -13.400 1.00 0.00 H new ATOM 0 HD11 LEU A 81 11.974 10.925 -12.024 1.00 0.00 H new ATOM 0 HD12 LEU A 81 12.231 11.938 -13.465 1.00 0.00 H new ATOM 0 HD13 LEU A 81 11.990 12.699 -11.875 1.00 0.00 H new ATOM 0 HD21 LEU A 81 9.727 10.851 -10.932 1.00 0.00 H new ATOM 0 HD22 LEU A 81 9.732 12.625 -10.783 1.00 0.00 H new ATOM 0 HD23 LEU A 81 8.380 11.804 -11.599 1.00 0.00 H new ATOM 1234 N LYS A 82 10.105 13.099 -17.129 1.00 0.00 N ATOM 1235 CA LYS A 82 9.246 13.121 -18.338 1.00 0.00 C ATOM 1236 C LYS A 82 9.598 11.955 -19.262 1.00 0.00 C ATOM 1237 O LYS A 82 10.121 10.945 -18.834 1.00 0.00 O ATOM 1238 CB LYS A 82 9.565 14.456 -19.011 1.00 0.00 C ATOM 1239 CG LYS A 82 8.317 14.982 -19.716 1.00 0.00 C ATOM 1240 CD LYS A 82 8.724 15.735 -20.985 1.00 0.00 C ATOM 1241 CE LYS A 82 9.537 16.975 -20.607 1.00 0.00 C ATOM 1242 NZ LYS A 82 9.044 18.048 -21.515 1.00 0.00 N ATOM 0 H LYS A 82 11.087 12.885 -17.302 1.00 0.00 H new ATOM 0 HA LYS A 82 8.187 13.021 -18.099 1.00 0.00 H new ATOM 0 HB2 LYS A 82 9.907 15.177 -18.269 1.00 0.00 H new ATOM 0 HB3 LYS A 82 10.375 14.329 -19.729 1.00 0.00 H new ATOM 0 HG2 LYS A 82 7.654 14.155 -19.969 1.00 0.00 H new ATOM 0 HG3 LYS A 82 7.762 15.643 -19.050 1.00 0.00 H new ATOM 0 HD2 LYS A 82 9.313 15.085 -21.633 1.00 0.00 H new ATOM 0 HD3 LYS A 82 7.837 16.027 -21.547 1.00 0.00 H new ATOM 0 HE2 LYS A 82 9.386 17.242 -19.561 1.00 0.00 H new ATOM 0 HE3 LYS A 82 10.605 16.803 -20.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 9.427 18.965 -21.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 9.356 17.850 -22.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 8.005 18.079 -21.484 1.00 0.00 H new ATOM 1256 N ASP A 83 9.319 12.091 -20.527 1.00 0.00 N ATOM 1257 CA ASP A 83 9.632 10.991 -21.485 1.00 0.00 C ATOM 1258 C ASP A 83 11.140 10.907 -21.725 1.00 0.00 C ATOM 1259 O ASP A 83 11.652 9.894 -22.162 1.00 0.00 O ATOM 1260 CB ASP A 83 8.885 11.352 -22.769 1.00 0.00 C ATOM 1261 CG ASP A 83 9.372 12.706 -23.291 1.00 0.00 C ATOM 1262 OD1 ASP A 83 10.529 12.792 -23.667 1.00 0.00 O ATOM 1263 OD2 ASP A 83 8.579 13.633 -23.305 1.00 0.00 O ATOM 0 H ASP A 83 8.887 12.917 -20.941 1.00 0.00 H new ATOM 0 HA ASP A 83 9.326 10.015 -21.108 1.00 0.00 H new ATOM 0 HB2 ASP A 83 9.047 10.582 -23.523 1.00 0.00 H new ATOM 0 HB3 ASP A 83 7.813 11.390 -22.578 1.00 0.00 H new ATOM 1268 N GLN A 84 11.857 11.959 -21.433 1.00 0.00 N ATOM 1269 CA GLN A 84 13.336 11.936 -21.630 1.00 0.00 C ATOM 1270 C GLN A 84 13.938 10.731 -20.901 1.00 0.00 C ATOM 1271 O GLN A 84 14.915 10.152 -21.337 1.00 0.00 O ATOM 1272 CB GLN A 84 13.842 13.245 -21.021 1.00 0.00 C ATOM 1273 CG GLN A 84 13.462 14.413 -21.933 1.00 0.00 C ATOM 1274 CD GLN A 84 14.583 15.453 -21.930 1.00 0.00 C ATOM 1275 OE1 GLN A 84 15.734 15.122 -21.725 1.00 0.00 O ATOM 1276 NE2 GLN A 84 14.295 16.706 -22.150 1.00 0.00 N ATOM 0 H GLN A 84 11.482 12.834 -21.066 1.00 0.00 H new ATOM 0 HA GLN A 84 13.615 11.848 -22.680 1.00 0.00 H new ATOM 0 HB2 GLN A 84 13.411 13.388 -20.030 1.00 0.00 H new ATOM 0 HB3 GLN A 84 14.924 13.205 -20.895 1.00 0.00 H new ATOM 0 HG2 GLN A 84 13.288 14.054 -22.947 1.00 0.00 H new ATOM 0 HG3 GLN A 84 12.531 14.866 -21.592 1.00 0.00 H new ATOM 0 HE21 GLN A 84 13.329 16.985 -22.322 1.00 0.00 H new ATOM 0 HE22 GLN A 84 15.036 17.407 -22.150 1.00 0.00 H new ATOM 1285 N ASP A 85 13.357 10.350 -19.794 1.00 0.00 N ATOM 1286 CA ASP A 85 13.887 9.180 -19.033 1.00 0.00 C ATOM 1287 C ASP A 85 12.737 8.252 -18.633 1.00 0.00 C ATOM 1288 O ASP A 85 11.600 8.472 -19.004 1.00 0.00 O ATOM 1289 CB ASP A 85 14.559 9.778 -17.794 1.00 0.00 C ATOM 1290 CG ASP A 85 13.531 10.567 -16.978 1.00 0.00 C ATOM 1291 OD1 ASP A 85 13.133 11.627 -17.431 1.00 0.00 O ATOM 1292 OD2 ASP A 85 13.160 10.096 -15.915 1.00 0.00 O ATOM 0 H ASP A 85 12.538 10.799 -19.384 1.00 0.00 H new ATOM 0 HA ASP A 85 14.586 8.585 -19.621 1.00 0.00 H new ATOM 0 HB2 ASP A 85 14.990 8.984 -17.184 1.00 0.00 H new ATOM 0 HB3 ASP A 85 15.379 10.431 -18.093 1.00 0.00 H new ATOM 1297 N THR A 86 13.015 7.221 -17.880 1.00 0.00 N ATOM 1298 CA THR A 86 11.925 6.293 -17.463 1.00 0.00 C ATOM 1299 C THR A 86 11.584 6.518 -15.988 1.00 0.00 C ATOM 1300 O THR A 86 12.452 6.553 -15.135 1.00 0.00 O ATOM 1301 CB THR A 86 12.474 4.878 -17.687 1.00 0.00 C ATOM 1302 OG1 THR A 86 13.827 4.947 -18.120 1.00 0.00 O ATOM 1303 CG2 THR A 86 11.636 4.164 -18.750 1.00 0.00 C ATOM 0 H THR A 86 13.946 6.982 -17.537 1.00 0.00 H new ATOM 0 HA THR A 86 11.009 6.455 -18.032 1.00 0.00 H new ATOM 0 HB THR A 86 12.424 4.324 -16.750 1.00 0.00 H new ATOM 0 HG1 THR A 86 14.123 4.059 -18.412 1.00 0.00 H new ATOM 0 HG21 THR A 86 12.028 3.159 -18.908 1.00 0.00 H new ATOM 0 HG22 THR A 86 10.600 4.102 -18.416 1.00 0.00 H new ATOM 0 HG23 THR A 86 11.682 4.722 -19.685 1.00 0.00 H new ATOM 1311 N LEU A 87 10.324 6.672 -15.685 1.00 0.00 N ATOM 1312 CA LEU A 87 9.915 6.900 -14.268 1.00 0.00 C ATOM 1313 C LEU A 87 10.444 5.778 -13.378 1.00 0.00 C ATOM 1314 O LEU A 87 11.010 6.021 -12.331 1.00 0.00 O ATOM 1315 CB LEU A 87 8.384 6.898 -14.301 1.00 0.00 C ATOM 1316 CG LEU A 87 7.833 7.556 -13.033 1.00 0.00 C ATOM 1317 CD1 LEU A 87 8.448 8.949 -12.853 1.00 0.00 C ATOM 1318 CD2 LEU A 87 6.313 7.686 -13.152 1.00 0.00 C ATOM 0 H LEU A 87 9.558 6.650 -16.358 1.00 0.00 H new ATOM 0 HA LEU A 87 10.312 7.830 -13.862 1.00 0.00 H new ATOM 0 HB2 LEU A 87 8.030 7.434 -15.182 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.015 5.875 -14.380 1.00 0.00 H new ATOM 0 HG LEU A 87 8.087 6.940 -12.171 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.050 9.408 -11.948 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.531 8.860 -12.768 1.00 0.00 H new ATOM 0 HD13 LEU A 87 8.201 9.570 -13.714 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.916 8.154 -12.251 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.067 8.300 -14.018 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.871 6.697 -13.271 1.00 0.00 H new ATOM 1330 N ILE A 88 10.276 4.556 -13.790 1.00 0.00 N ATOM 1331 CA ILE A 88 10.781 3.423 -12.971 1.00 0.00 C ATOM 1332 C ILE A 88 12.310 3.347 -13.046 1.00 0.00 C ATOM 1333 O ILE A 88 12.944 2.655 -12.273 1.00 0.00 O ATOM 1334 CB ILE A 88 10.160 2.185 -13.608 1.00 0.00 C ATOM 1335 CG1 ILE A 88 10.693 2.025 -15.040 1.00 0.00 C ATOM 1336 CG2 ILE A 88 8.634 2.333 -13.648 1.00 0.00 C ATOM 1337 CD1 ILE A 88 11.940 1.136 -15.030 1.00 0.00 C ATOM 0 H ILE A 88 9.811 4.292 -14.659 1.00 0.00 H new ATOM 0 HA ILE A 88 10.522 3.526 -11.917 1.00 0.00 H new ATOM 0 HB ILE A 88 10.423 1.307 -13.018 1.00 0.00 H new ATOM 0 HG12 ILE A 88 9.926 1.585 -15.677 1.00 0.00 H new ATOM 0 HG13 ILE A 88 10.934 3.002 -15.460 1.00 0.00 H new ATOM 0 HG21 ILE A 88 8.194 1.446 -14.104 1.00 0.00 H new ATOM 0 HG22 ILE A 88 8.253 2.446 -12.633 1.00 0.00 H new ATOM 0 HG23 ILE A 88 8.369 3.212 -14.235 1.00 0.00 H new ATOM 0 HD11 ILE A 88 12.316 1.025 -16.047 1.00 0.00 H new ATOM 0 HD12 ILE A 88 12.709 1.594 -14.408 1.00 0.00 H new ATOM 0 HD13 ILE A 88 11.685 0.156 -14.628 1.00 0.00 H new ATOM 1349 N GLN A 89 12.900 4.027 -13.993 1.00 0.00 N ATOM 1350 CA GLN A 89 14.381 3.964 -14.145 1.00 0.00 C ATOM 1351 C GLN A 89 15.092 5.016 -13.290 1.00 0.00 C ATOM 1352 O GLN A 89 16.300 4.978 -13.150 1.00 0.00 O ATOM 1353 CB GLN A 89 14.633 4.227 -15.631 1.00 0.00 C ATOM 1354 CG GLN A 89 16.129 4.105 -15.934 1.00 0.00 C ATOM 1355 CD GLN A 89 16.597 2.676 -15.643 1.00 0.00 C ATOM 1356 OE1 GLN A 89 16.266 1.757 -16.366 1.00 0.00 O ATOM 1357 NE2 GLN A 89 17.359 2.450 -14.608 1.00 0.00 N ATOM 0 H GLN A 89 12.420 4.623 -14.667 1.00 0.00 H new ATOM 0 HA GLN A 89 14.770 3.002 -13.813 1.00 0.00 H new ATOM 0 HB2 GLN A 89 14.071 3.515 -16.236 1.00 0.00 H new ATOM 0 HB3 GLN A 89 14.279 5.222 -15.899 1.00 0.00 H new ATOM 0 HG2 GLN A 89 16.321 4.356 -16.977 1.00 0.00 H new ATOM 0 HG3 GLN A 89 16.692 4.814 -15.327 1.00 0.00 H new ATOM 0 HE21 GLN A 89 17.637 3.221 -14.001 1.00 0.00 H new ATOM 0 HE22 GLN A 89 17.677 1.502 -14.406 1.00 0.00 H new ATOM 1366 N HIS A 90 14.385 5.962 -12.716 1.00 0.00 N ATOM 1367 CA HIS A 90 15.103 6.986 -11.893 1.00 0.00 C ATOM 1368 C HIS A 90 14.128 7.908 -11.170 1.00 0.00 C ATOM 1369 O HIS A 90 14.330 8.265 -10.025 1.00 0.00 O ATOM 1370 CB HIS A 90 15.922 7.796 -12.901 1.00 0.00 C ATOM 1371 CG HIS A 90 17.239 8.180 -12.287 1.00 0.00 C ATOM 1372 ND1 HIS A 90 17.642 9.501 -12.170 1.00 0.00 N ATOM 1373 CD2 HIS A 90 18.257 7.429 -11.753 1.00 0.00 C ATOM 1374 CE1 HIS A 90 18.855 9.505 -11.587 1.00 0.00 C ATOM 1375 NE2 HIS A 90 19.276 8.267 -11.311 1.00 0.00 N ATOM 0 H HIS A 90 13.372 6.068 -12.778 1.00 0.00 H new ATOM 0 HA HIS A 90 15.715 6.514 -11.124 1.00 0.00 H new ATOM 0 HB2 HIS A 90 16.088 7.210 -13.805 1.00 0.00 H new ATOM 0 HB3 HIS A 90 15.373 8.690 -13.197 1.00 0.00 H new ATOM 0 HD2 HIS A 90 18.265 6.351 -11.686 1.00 0.00 H new ATOM 0 HE1 HIS A 90 19.419 10.400 -11.369 1.00 0.00 H new ATOM 0 HE2 HIS A 90 20.155 7.995 -10.871 1.00 0.00 H new ATOM 1383 N GLY A 91 13.087 8.319 -11.833 1.00 0.00 N ATOM 1384 CA GLY A 91 12.119 9.242 -11.189 1.00 0.00 C ATOM 1385 C GLY A 91 11.539 8.603 -9.932 1.00 0.00 C ATOM 1386 O GLY A 91 11.368 9.256 -8.921 1.00 0.00 O ATOM 0 H GLY A 91 12.865 8.055 -12.793 1.00 0.00 H new ATOM 0 HA2 GLY A 91 12.613 10.179 -10.934 1.00 0.00 H new ATOM 0 HA3 GLY A 91 11.317 9.484 -11.886 1.00 0.00 H new ATOM 1390 N ILE A 92 11.217 7.340 -9.984 1.00 0.00 N ATOM 1391 CA ILE A 92 10.622 6.683 -8.784 1.00 0.00 C ATOM 1392 C ILE A 92 11.280 5.330 -8.517 1.00 0.00 C ATOM 1393 O ILE A 92 11.129 4.394 -9.279 1.00 0.00 O ATOM 1394 CB ILE A 92 9.143 6.481 -9.124 1.00 0.00 C ATOM 1395 CG1 ILE A 92 8.637 7.634 -10.001 1.00 0.00 C ATOM 1396 CG2 ILE A 92 8.325 6.427 -7.835 1.00 0.00 C ATOM 1397 CD1 ILE A 92 8.743 8.957 -9.239 1.00 0.00 C ATOM 0 H ILE A 92 11.338 6.738 -10.798 1.00 0.00 H new ATOM 0 HA ILE A 92 10.765 7.289 -7.889 1.00 0.00 H new ATOM 0 HB ILE A 92 9.032 5.544 -9.670 1.00 0.00 H new ATOM 0 HG12 ILE A 92 9.221 7.686 -10.920 1.00 0.00 H new ATOM 0 HG13 ILE A 92 7.602 7.454 -10.291 1.00 0.00 H new ATOM 0 HG21 ILE A 92 7.272 6.283 -8.078 1.00 0.00 H new ATOM 0 HG22 ILE A 92 8.672 5.598 -7.219 1.00 0.00 H new ATOM 0 HG23 ILE A 92 8.447 7.362 -7.287 1.00 0.00 H new ATOM 0 HD11 ILE A 92 8.382 9.770 -9.869 1.00 0.00 H new ATOM 0 HD12 ILE A 92 8.139 8.904 -8.333 1.00 0.00 H new ATOM 0 HD13 ILE A 92 9.784 9.140 -8.971 1.00 0.00 H new ATOM 1409 N HIS A 93 11.985 5.211 -7.426 1.00 0.00 N ATOM 1410 CA HIS A 93 12.624 3.908 -7.095 1.00 0.00 C ATOM 1411 C HIS A 93 11.623 3.048 -6.323 1.00 0.00 C ATOM 1412 O HIS A 93 11.593 1.840 -6.452 1.00 0.00 O ATOM 1413 CB HIS A 93 13.825 4.263 -6.217 1.00 0.00 C ATOM 1414 CG HIS A 93 15.057 4.374 -7.072 1.00 0.00 C ATOM 1415 ND1 HIS A 93 15.015 4.867 -8.367 1.00 0.00 N ATOM 1416 CD2 HIS A 93 16.372 4.060 -6.832 1.00 0.00 C ATOM 1417 CE1 HIS A 93 16.270 4.835 -8.853 1.00 0.00 C ATOM 1418 NE2 HIS A 93 17.136 4.353 -7.958 1.00 0.00 N ATOM 0 H HIS A 93 12.146 5.959 -6.751 1.00 0.00 H new ATOM 0 HA HIS A 93 12.932 3.347 -7.977 1.00 0.00 H new ATOM 0 HB2 HIS A 93 13.644 5.204 -5.698 1.00 0.00 H new ATOM 0 HB3 HIS A 93 13.968 3.500 -5.452 1.00 0.00 H new ATOM 0 HD2 HIS A 93 16.755 3.648 -5.910 1.00 0.00 H new ATOM 0 HE1 HIS A 93 16.543 5.160 -9.846 1.00 0.00 H new ATOM 0 HE2 HIS A 93 18.141 4.227 -8.075 1.00 0.00 H new ATOM 1426 N ASP A 94 10.793 3.677 -5.528 1.00 0.00 N ATOM 1427 CA ASP A 94 9.769 2.928 -4.738 1.00 0.00 C ATOM 1428 C ASP A 94 8.936 3.905 -3.898 1.00 0.00 C ATOM 1429 O ASP A 94 8.482 3.576 -2.820 1.00 0.00 O ATOM 1430 CB ASP A 94 10.561 1.987 -3.825 1.00 0.00 C ATOM 1431 CG ASP A 94 9.591 1.111 -3.028 1.00 0.00 C ATOM 1432 OD1 ASP A 94 8.761 0.465 -3.648 1.00 0.00 O ATOM 1433 OD2 ASP A 94 9.694 1.103 -1.813 1.00 0.00 O ATOM 0 H ASP A 94 10.782 4.688 -5.392 1.00 0.00 H new ATOM 0 HA ASP A 94 9.080 2.381 -5.381 1.00 0.00 H new ATOM 0 HB2 ASP A 94 11.227 1.362 -4.420 1.00 0.00 H new ATOM 0 HB3 ASP A 94 11.188 2.565 -3.146 1.00 0.00 H new ATOM 1438 N GLY A 95 8.732 5.106 -4.380 1.00 0.00 N ATOM 1439 CA GLY A 95 7.929 6.095 -3.604 1.00 0.00 C ATOM 1440 C GLY A 95 8.703 7.408 -3.473 1.00 0.00 C ATOM 1441 O GLY A 95 9.149 7.770 -2.401 1.00 0.00 O ATOM 0 H GLY A 95 9.087 5.442 -5.275 1.00 0.00 H new ATOM 0 HA2 GLY A 95 6.976 6.273 -4.102 1.00 0.00 H new ATOM 0 HA3 GLY A 95 7.702 5.696 -2.615 1.00 0.00 H new ATOM 1445 N LEU A 96 8.864 8.131 -4.552 1.00 0.00 N ATOM 1446 CA LEU A 96 9.605 9.424 -4.481 1.00 0.00 C ATOM 1447 C LEU A 96 8.635 10.597 -4.647 1.00 0.00 C ATOM 1448 O LEU A 96 7.523 10.431 -5.112 1.00 0.00 O ATOM 1449 CB LEU A 96 10.600 9.377 -5.643 1.00 0.00 C ATOM 1450 CG LEU A 96 11.982 8.987 -5.116 1.00 0.00 C ATOM 1451 CD1 LEU A 96 12.943 8.795 -6.291 1.00 0.00 C ATOM 1452 CD2 LEU A 96 12.510 10.097 -4.204 1.00 0.00 C ATOM 0 H LEU A 96 8.515 7.881 -5.477 1.00 0.00 H new ATOM 0 HA LEU A 96 10.107 9.561 -3.523 1.00 0.00 H new ATOM 0 HB2 LEU A 96 10.268 8.657 -6.391 1.00 0.00 H new ATOM 0 HB3 LEU A 96 10.647 10.349 -6.135 1.00 0.00 H new ATOM 0 HG LEU A 96 11.906 8.056 -4.554 1.00 0.00 H new ATOM 0 HD11 LEU A 96 13.927 8.517 -5.914 1.00 0.00 H new ATOM 0 HD12 LEU A 96 12.568 8.006 -6.943 1.00 0.00 H new ATOM 0 HD13 LEU A 96 13.019 9.725 -6.854 1.00 0.00 H new ATOM 0 HD21 LEU A 96 13.495 9.821 -3.827 1.00 0.00 H new ATOM 0 HD22 LEU A 96 12.585 11.027 -4.768 1.00 0.00 H new ATOM 0 HD23 LEU A 96 11.827 10.235 -3.366 1.00 0.00 H new ATOM 1464 N THR A 97 9.044 11.779 -4.271 1.00 0.00 N ATOM 1465 CA THR A 97 8.141 12.962 -4.406 1.00 0.00 C ATOM 1466 C THR A 97 8.682 13.924 -5.467 1.00 0.00 C ATOM 1467 O THR A 97 9.857 14.233 -5.495 1.00 0.00 O ATOM 1468 CB THR A 97 8.146 13.633 -3.029 1.00 0.00 C ATOM 1469 OG1 THR A 97 9.453 14.108 -2.744 1.00 0.00 O ATOM 1470 CG2 THR A 97 7.720 12.626 -1.960 1.00 0.00 C ATOM 0 H THR A 97 9.963 11.978 -3.876 1.00 0.00 H new ATOM 0 HA THR A 97 7.136 12.675 -4.716 1.00 0.00 H new ATOM 0 HB THR A 97 7.446 14.468 -3.030 1.00 0.00 H new ATOM 0 HG1 THR A 97 9.978 14.136 -3.571 1.00 0.00 H new ATOM 0 HG21 THR A 97 7.725 13.109 -0.983 1.00 0.00 H new ATOM 0 HG22 THR A 97 6.716 12.264 -2.181 1.00 0.00 H new ATOM 0 HG23 THR A 97 8.415 11.786 -1.954 1.00 0.00 H new ATOM 1478 N VAL A 98 7.831 14.402 -6.335 1.00 0.00 N ATOM 1479 CA VAL A 98 8.291 15.347 -7.395 1.00 0.00 C ATOM 1480 C VAL A 98 7.247 16.446 -7.611 1.00 0.00 C ATOM 1481 O VAL A 98 6.069 16.247 -7.388 1.00 0.00 O ATOM 1482 CB VAL A 98 8.447 14.490 -8.653 1.00 0.00 C ATOM 1483 CG1 VAL A 98 9.552 13.453 -8.430 1.00 0.00 C ATOM 1484 CG2 VAL A 98 7.128 13.770 -8.952 1.00 0.00 C ATOM 0 H VAL A 98 6.836 14.179 -6.356 1.00 0.00 H new ATOM 0 HA VAL A 98 9.223 15.846 -7.129 1.00 0.00 H new ATOM 0 HB VAL A 98 8.710 15.130 -9.495 1.00 0.00 H new ATOM 0 HG11 VAL A 98 9.664 12.842 -9.326 1.00 0.00 H new ATOM 0 HG12 VAL A 98 10.492 13.963 -8.219 1.00 0.00 H new ATOM 0 HG13 VAL A 98 9.288 12.815 -7.587 1.00 0.00 H new ATOM 0 HG21 VAL A 98 7.241 13.160 -9.848 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.863 13.131 -8.110 1.00 0.00 H new ATOM 0 HG23 VAL A 98 6.340 14.506 -9.111 1.00 0.00 H new ATOM 1494 N HIS A 99 7.670 17.608 -8.038 1.00 0.00 N ATOM 1495 CA HIS A 99 6.697 18.722 -8.260 1.00 0.00 C ATOM 1496 C HIS A 99 6.168 18.690 -9.698 1.00 0.00 C ATOM 1497 O HIS A 99 6.883 18.364 -10.622 1.00 0.00 O ATOM 1498 CB HIS A 99 7.499 20.003 -8.011 1.00 0.00 C ATOM 1499 CG HIS A 99 6.804 20.841 -6.974 1.00 0.00 C ATOM 1500 ND1 HIS A 99 7.273 20.949 -5.674 1.00 0.00 N ATOM 1501 CD2 HIS A 99 5.673 21.618 -7.029 1.00 0.00 C ATOM 1502 CE1 HIS A 99 6.435 21.763 -5.006 1.00 0.00 C ATOM 1503 NE2 HIS A 99 5.442 22.199 -5.785 1.00 0.00 N ATOM 0 H HIS A 99 8.643 17.834 -8.242 1.00 0.00 H new ATOM 0 HA HIS A 99 5.830 18.648 -7.604 1.00 0.00 H new ATOM 0 HB2 HIS A 99 8.506 19.754 -7.676 1.00 0.00 H new ATOM 0 HB3 HIS A 99 7.601 20.566 -8.939 1.00 0.00 H new ATOM 0 HD2 HIS A 99 5.056 21.757 -7.905 1.00 0.00 H new ATOM 0 HE1 HIS A 99 6.551 22.031 -3.966 1.00 0.00 H new ATOM 0 HE2 HIS A 99 4.679 22.823 -5.525 1.00 0.00 H new ATOM 1511 N LEU A 100 4.920 19.027 -9.893 1.00 0.00 N ATOM 1512 CA LEU A 100 4.353 19.016 -11.274 1.00 0.00 C ATOM 1513 C LEU A 100 4.295 20.439 -11.837 1.00 0.00 C ATOM 1514 O LEU A 100 3.765 21.340 -11.218 1.00 0.00 O ATOM 1515 CB LEU A 100 2.943 18.445 -11.126 1.00 0.00 C ATOM 1516 CG LEU A 100 2.342 18.206 -12.512 1.00 0.00 C ATOM 1517 CD1 LEU A 100 1.482 16.941 -12.489 1.00 0.00 C ATOM 1518 CD2 LEU A 100 1.475 19.403 -12.905 1.00 0.00 C ATOM 0 H LEU A 100 4.271 19.308 -9.158 1.00 0.00 H new ATOM 0 HA LEU A 100 4.961 18.426 -11.960 1.00 0.00 H new ATOM 0 HB2 LEU A 100 2.974 17.511 -10.565 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.317 19.135 -10.560 1.00 0.00 H new ATOM 0 HG LEU A 100 3.146 18.084 -13.238 1.00 0.00 H new ATOM 0 HD11 LEU A 100 1.055 16.773 -13.478 1.00 0.00 H new ATOM 0 HD12 LEU A 100 2.099 16.087 -12.210 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.678 17.061 -11.762 1.00 0.00 H new ATOM 0 HD21 LEU A 100 1.046 19.233 -13.893 1.00 0.00 H new ATOM 0 HD22 LEU A 100 0.673 19.526 -12.177 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.087 20.305 -12.925 1.00 0.00 H new ATOM 1530 N VAL A 101 4.836 20.644 -13.009 1.00 0.00 N ATOM 1531 CA VAL A 101 4.814 22.007 -13.617 1.00 0.00 C ATOM 1532 C VAL A 101 4.585 21.908 -15.129 1.00 0.00 C ATOM 1533 O VAL A 101 5.075 21.007 -15.782 1.00 0.00 O ATOM 1534 CB VAL A 101 6.192 22.602 -13.318 1.00 0.00 C ATOM 1535 CG1 VAL A 101 6.398 22.686 -11.804 1.00 0.00 C ATOM 1536 CG2 VAL A 101 7.281 21.714 -13.930 1.00 0.00 C ATOM 0 H VAL A 101 5.292 19.926 -13.572 1.00 0.00 H new ATOM 0 HA VAL A 101 4.011 22.625 -13.214 1.00 0.00 H new ATOM 0 HB VAL A 101 6.252 23.601 -13.750 1.00 0.00 H new ATOM 0 HG11 VAL A 101 7.380 23.110 -11.593 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.627 23.321 -11.367 1.00 0.00 H new ATOM 0 HG13 VAL A 101 6.334 21.687 -11.372 1.00 0.00 H new ATOM 0 HG21 VAL A 101 8.261 22.140 -13.716 1.00 0.00 H new ATOM 0 HG22 VAL A 101 7.218 20.714 -13.501 1.00 0.00 H new ATOM 0 HG23 VAL A 101 7.139 21.656 -15.009 1.00 0.00 H new ATOM 1546 N ILE A 102 3.851 22.831 -15.689 1.00 0.00 N ATOM 1547 CA ILE A 102 3.598 22.794 -17.161 1.00 0.00 C ATOM 1548 C ILE A 102 4.383 23.905 -17.865 1.00 0.00 C ATOM 1549 O ILE A 102 4.030 25.066 -17.801 1.00 0.00 O ATOM 1550 CB ILE A 102 2.087 23.001 -17.344 1.00 0.00 C ATOM 1551 CG1 ILE A 102 1.606 24.205 -16.507 1.00 0.00 C ATOM 1552 CG2 ILE A 102 1.342 21.728 -16.925 1.00 0.00 C ATOM 1553 CD1 ILE A 102 1.056 23.739 -15.152 1.00 0.00 C ATOM 0 H ILE A 102 3.415 23.609 -15.193 1.00 0.00 H new ATOM 0 HA ILE A 102 3.921 21.848 -17.596 1.00 0.00 H new ATOM 0 HB ILE A 102 1.878 23.208 -18.393 1.00 0.00 H new ATOM 0 HG12 ILE A 102 2.432 24.899 -16.351 1.00 0.00 H new ATOM 0 HG13 ILE A 102 0.833 24.747 -17.052 1.00 0.00 H new ATOM 0 HG21 ILE A 102 0.270 21.875 -17.055 1.00 0.00 H new ATOM 0 HG22 ILE A 102 1.672 20.893 -17.544 1.00 0.00 H new ATOM 0 HG23 ILE A 102 1.554 21.510 -15.878 1.00 0.00 H new ATOM 0 HD11 ILE A 102 0.722 24.603 -14.578 1.00 0.00 H new ATOM 0 HD12 ILE A 102 0.215 23.064 -15.313 1.00 0.00 H new ATOM 0 HD13 ILE A 102 1.839 23.218 -14.601 1.00 0.00 H new