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 86 THR OG1 : rot 165:sc= -1.62 USER MOD Set 1.2: A 89 GLN : amide:sc= 0.0723 K(o=-1.5,f=-5.1) USER MOD Set 2.1: A 62 SER OG : rot -103:sc= 0.835 USER MOD Set 2.2: A 69 THR OG1 : rot 180:sc= -0.718 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 109:sc= 1.26 USER MOD Single : A 38 LYS NZ :NH3+ -134:sc= 0.0144 (180deg=-0.678) USER MOD Single : A 39 THR OG1 : rot -163:sc= 0.816 USER MOD Single : A 41 LYS NZ :NH3+ 159:sc= -0.0277 (180deg=-0.587) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -0.0666 X(o=-0.067,f=-0.087) USER MOD Single : A 52 SER OG : rot -10:sc= 0.942 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.111 X(o=-0.11,f=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ -153:sc= -0.0158 (180deg=-0.325) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 GLN : amide:sc= -0.11 X(o=-0.11,f=0) USER MOD Single : A 79 LYS NZ :NH3+ -112:sc= -0.0502 (180deg=-0.564) 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) USER MOD Single : A 90 HIS : no HD1:sc= -1.59 X(o=-1.6,f=-1.6) USER MOD Single : A 93 HIS : no HD1:sc= -0.286 X(o=-0.29,f=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 HIS : no HD1:sc= -0.277 X(o=-0.28,f=-0.77) USER MOD ----------------------------------------------------------------- ATOM 380 N LYS A 31 6.544 -5.259 -10.832 1.00 0.00 N ATOM 381 CA LYS A 31 7.213 -4.532 -9.721 1.00 0.00 C ATOM 382 C LYS A 31 6.593 -3.139 -9.667 1.00 0.00 C ATOM 383 O LYS A 31 7.219 -2.148 -9.990 1.00 0.00 O ATOM 384 CB LYS A 31 8.691 -4.460 -10.110 1.00 0.00 C ATOM 385 CG LYS A 31 9.391 -5.761 -9.707 1.00 0.00 C ATOM 386 CD LYS A 31 10.357 -6.191 -10.816 1.00 0.00 C ATOM 387 CE LYS A 31 11.738 -6.468 -10.217 1.00 0.00 C ATOM 388 NZ LYS A 31 12.681 -6.372 -11.365 1.00 0.00 N ATOM 0 HA LYS A 31 7.102 -5.007 -8.746 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.788 -4.301 -11.184 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.166 -3.612 -9.618 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.934 -5.619 -8.773 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.653 -6.543 -9.531 1.00 0.00 H new ATOM 0 HD2 LYS A 31 9.980 -7.084 -11.314 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.428 -5.410 -11.573 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.985 -5.743 -9.442 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.777 -7.454 -9.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.651 -6.550 -11.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.426 -7.079 -12.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.627 -5.420 -11.780 1.00 0.00 H new ATOM 402 N ILE A 32 5.339 -3.072 -9.308 1.00 0.00 N ATOM 403 CA ILE A 32 4.633 -1.767 -9.282 1.00 0.00 C ATOM 404 C ILE A 32 5.338 -0.785 -8.344 1.00 0.00 C ATOM 405 O ILE A 32 5.533 -1.058 -7.175 1.00 0.00 O ATOM 406 CB ILE A 32 3.228 -2.088 -8.769 1.00 0.00 C ATOM 407 CG1 ILE A 32 2.506 -2.960 -9.803 1.00 0.00 C ATOM 408 CG2 ILE A 32 2.442 -0.791 -8.538 1.00 0.00 C ATOM 409 CD1 ILE A 32 2.095 -2.117 -11.014 1.00 0.00 C ATOM 0 H ILE A 32 4.773 -3.874 -9.030 1.00 0.00 H new ATOM 0 HA ILE A 32 4.614 -1.295 -10.264 1.00 0.00 H new ATOM 0 HB ILE A 32 3.299 -2.624 -7.823 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.158 -3.773 -10.122 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.624 -3.416 -9.352 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.443 -1.031 -8.173 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.960 -0.178 -7.801 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.363 -0.241 -9.476 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.583 -2.749 -11.740 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.426 -1.319 -10.692 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.983 -1.682 -11.473 1.00 0.00 H new ATOM 421 N ILE A 33 5.709 0.358 -8.847 1.00 0.00 N ATOM 422 CA ILE A 33 6.390 1.367 -7.984 1.00 0.00 C ATOM 423 C ILE A 33 5.424 2.517 -7.681 1.00 0.00 C ATOM 424 O ILE A 33 4.550 2.828 -8.469 1.00 0.00 O ATOM 425 CB ILE A 33 7.610 1.854 -8.780 1.00 0.00 C ATOM 426 CG1 ILE A 33 7.158 2.752 -9.941 1.00 0.00 C ATOM 427 CG2 ILE A 33 8.375 0.645 -9.330 1.00 0.00 C ATOM 428 CD1 ILE A 33 8.360 3.099 -10.820 1.00 0.00 C ATOM 0 H ILE A 33 5.571 0.639 -9.818 1.00 0.00 H new ATOM 0 HA ILE A 33 6.702 0.950 -7.026 1.00 0.00 H new ATOM 0 HB ILE A 33 8.261 2.429 -8.121 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.397 2.243 -10.533 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.703 3.664 -9.553 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.241 0.989 -9.895 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.707 0.018 -8.503 1.00 0.00 H new ATOM 0 HG23 ILE A 33 7.721 0.067 -9.984 1.00 0.00 H new ATOM 0 HD11 ILE A 33 8.037 3.736 -11.643 1.00 0.00 H new ATOM 0 HD12 ILE A 33 9.106 3.625 -10.225 1.00 0.00 H new ATOM 0 HD13 ILE A 33 8.795 2.183 -11.220 1.00 0.00 H new ATOM 440 N LYS A 34 5.563 3.138 -6.542 1.00 0.00 N ATOM 441 CA LYS A 34 4.644 4.255 -6.181 1.00 0.00 C ATOM 442 C LYS A 34 5.225 5.598 -6.629 1.00 0.00 C ATOM 443 O LYS A 34 6.418 5.817 -6.583 1.00 0.00 O ATOM 444 CB LYS A 34 4.536 4.202 -4.656 1.00 0.00 C ATOM 445 CG LYS A 34 3.551 3.102 -4.246 1.00 0.00 C ATOM 446 CD LYS A 34 4.302 1.974 -3.531 1.00 0.00 C ATOM 447 CE LYS A 34 3.518 1.542 -2.289 1.00 0.00 C ATOM 448 NZ LYS A 34 4.553 1.306 -1.244 1.00 0.00 N ATOM 0 H LYS A 34 6.274 2.920 -5.844 1.00 0.00 H new ATOM 0 HA LYS A 34 3.673 4.157 -6.666 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.515 4.008 -4.219 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.201 5.165 -4.272 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.784 3.514 -3.590 1.00 0.00 H new ATOM 0 HG3 LYS A 34 3.041 2.711 -5.126 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.433 1.127 -4.204 1.00 0.00 H new ATOM 0 HD3 LYS A 34 5.299 2.311 -3.246 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.813 2.313 -1.979 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.939 0.639 -2.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 4.093 1.006 -0.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 5.206 0.562 -1.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 5.084 2.184 -1.077 1.00 0.00 H new ATOM 462 N VAL A 35 4.383 6.501 -7.055 1.00 0.00 N ATOM 463 CA VAL A 35 4.875 7.838 -7.498 1.00 0.00 C ATOM 464 C VAL A 35 4.016 8.936 -6.866 1.00 0.00 C ATOM 465 O VAL A 35 2.802 8.891 -6.914 1.00 0.00 O ATOM 466 CB VAL A 35 4.732 7.844 -9.025 1.00 0.00 C ATOM 467 CG1 VAL A 35 5.447 6.628 -9.615 1.00 0.00 C ATOM 468 CG2 VAL A 35 3.250 7.795 -9.404 1.00 0.00 C ATOM 0 H VAL A 35 3.373 6.370 -7.115 1.00 0.00 H new ATOM 0 HA VAL A 35 5.907 8.021 -7.198 1.00 0.00 H new ATOM 0 HB VAL A 35 5.179 8.755 -9.422 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.343 6.636 -10.700 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.504 6.664 -9.351 1.00 0.00 H new ATOM 0 HG13 VAL A 35 5.004 5.716 -9.215 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.152 7.799 -10.490 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.802 6.886 -9.003 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.740 8.665 -8.990 1.00 0.00 H new ATOM 478 N THR A 36 4.634 9.918 -6.272 1.00 0.00 N ATOM 479 CA THR A 36 3.850 11.016 -5.632 1.00 0.00 C ATOM 480 C THR A 36 3.787 12.231 -6.560 1.00 0.00 C ATOM 481 O THR A 36 4.775 12.904 -6.784 1.00 0.00 O ATOM 482 CB THR A 36 4.609 11.361 -4.347 1.00 0.00 C ATOM 483 OG1 THR A 36 5.347 10.229 -3.906 1.00 0.00 O ATOM 484 CG2 THR A 36 3.613 11.774 -3.261 1.00 0.00 C ATOM 0 H THR A 36 5.647 10.010 -6.201 1.00 0.00 H new ATOM 0 HA THR A 36 2.822 10.718 -5.426 1.00 0.00 H new ATOM 0 HB THR A 36 5.296 12.184 -4.545 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.303 10.384 -4.053 1.00 0.00 H new ATOM 0 HG21 THR A 36 4.153 12.020 -2.346 1.00 0.00 H new ATOM 0 HG22 THR A 36 3.051 12.646 -3.596 1.00 0.00 H new ATOM 0 HG23 THR A 36 2.925 10.951 -3.066 1.00 0.00 H new ATOM 492 N VAL A 37 2.632 12.516 -7.100 1.00 0.00 N ATOM 493 CA VAL A 37 2.502 13.687 -8.015 1.00 0.00 C ATOM 494 C VAL A 37 1.984 14.904 -7.244 1.00 0.00 C ATOM 495 O VAL A 37 0.976 14.840 -6.565 1.00 0.00 O ATOM 496 CB VAL A 37 1.490 13.254 -9.078 1.00 0.00 C ATOM 497 CG1 VAL A 37 1.313 14.376 -10.103 1.00 0.00 C ATOM 498 CG2 VAL A 37 1.999 11.996 -9.786 1.00 0.00 C ATOM 0 H VAL A 37 1.773 11.988 -6.947 1.00 0.00 H new ATOM 0 HA VAL A 37 3.457 13.973 -8.457 1.00 0.00 H new ATOM 0 HB VAL A 37 0.533 13.042 -8.601 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.592 14.067 -10.860 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.950 15.273 -9.601 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.270 14.588 -10.579 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.278 11.688 -10.543 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.956 12.208 -10.262 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.126 11.195 -9.058 1.00 0.00 H new ATOM 508 N LYS A 38 2.666 16.015 -7.348 1.00 0.00 N ATOM 509 CA LYS A 38 2.217 17.242 -6.628 1.00 0.00 C ATOM 510 C LYS A 38 1.637 18.249 -7.624 1.00 0.00 C ATOM 511 O LYS A 38 2.292 18.651 -8.566 1.00 0.00 O ATOM 512 CB LYS A 38 3.481 17.802 -5.968 1.00 0.00 C ATOM 513 CG LYS A 38 3.346 17.724 -4.444 1.00 0.00 C ATOM 514 CD LYS A 38 2.996 19.108 -3.886 1.00 0.00 C ATOM 515 CE LYS A 38 1.747 19.005 -3.007 1.00 0.00 C ATOM 516 NZ LYS A 38 0.603 19.002 -3.960 1.00 0.00 N ATOM 0 H LYS A 38 3.516 16.125 -7.902 1.00 0.00 H new ATOM 0 HA LYS A 38 1.438 17.032 -5.895 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.354 17.237 -6.295 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.636 18.836 -6.276 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.572 17.006 -4.174 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.278 17.369 -4.004 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.831 19.499 -3.305 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.821 19.808 -4.703 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.762 18.096 -2.406 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.682 19.844 -2.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.131 19.658 -3.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.933 19.304 -4.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.207 18.043 -4.024 1.00 0.00 H new ATOM 530 N THR A 39 0.411 18.653 -7.428 1.00 0.00 N ATOM 531 CA THR A 39 -0.216 19.629 -8.366 1.00 0.00 C ATOM 532 C THR A 39 -0.751 20.840 -7.594 1.00 0.00 C ATOM 533 O THR A 39 -0.804 20.824 -6.380 1.00 0.00 O ATOM 534 CB THR A 39 -1.367 18.864 -9.026 1.00 0.00 C ATOM 535 OG1 THR A 39 -1.829 17.847 -8.144 1.00 0.00 O ATOM 536 CG2 THR A 39 -0.882 18.228 -10.330 1.00 0.00 C ATOM 0 H THR A 39 -0.185 18.349 -6.658 1.00 0.00 H new ATOM 0 HA THR A 39 0.495 20.009 -9.099 1.00 0.00 H new ATOM 0 HB THR A 39 -2.182 19.555 -9.243 1.00 0.00 H new ATOM 0 HG1 THR A 39 -2.360 17.194 -8.647 1.00 0.00 H new ATOM 0 HG21 THR A 39 -1.703 17.684 -10.797 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.531 19.007 -11.007 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.065 17.538 -10.117 1.00 0.00 H new ATOM 544 N PRO A 40 -1.135 21.857 -8.325 1.00 0.00 N ATOM 545 CA PRO A 40 -1.674 23.087 -7.690 1.00 0.00 C ATOM 546 C PRO A 40 -3.082 22.832 -7.144 1.00 0.00 C ATOM 547 O PRO A 40 -4.039 23.466 -7.546 1.00 0.00 O ATOM 548 CB PRO A 40 -1.708 24.095 -8.835 1.00 0.00 C ATOM 549 CG PRO A 40 -1.794 23.269 -10.079 1.00 0.00 C ATOM 550 CD PRO A 40 -1.104 21.961 -9.791 1.00 0.00 C ATOM 0 HA PRO A 40 -1.078 23.431 -6.844 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -2.564 24.764 -8.746 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.814 24.719 -8.837 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.834 23.102 -10.359 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.317 23.781 -10.915 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -1.621 21.125 -10.261 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -0.082 21.957 -10.170 1.00 0.00 H new ATOM 558 N LYS A 41 -3.215 21.908 -6.229 1.00 0.00 N ATOM 559 CA LYS A 41 -4.558 21.605 -5.651 1.00 0.00 C ATOM 560 C LYS A 41 -4.417 20.586 -4.517 1.00 0.00 C ATOM 561 O LYS A 41 -4.975 20.750 -3.448 1.00 0.00 O ATOM 562 CB LYS A 41 -5.370 21.010 -6.807 1.00 0.00 C ATOM 563 CG LYS A 41 -6.734 21.705 -6.895 1.00 0.00 C ATOM 564 CD LYS A 41 -6.925 22.284 -8.299 1.00 0.00 C ATOM 565 CE LYS A 41 -8.359 22.800 -8.449 1.00 0.00 C ATOM 566 NZ LYS A 41 -8.441 23.974 -7.535 1.00 0.00 N ATOM 0 H LYS A 41 -2.449 21.348 -5.856 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.038 22.490 -5.234 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.828 21.132 -7.745 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.506 19.939 -6.655 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.530 20.995 -6.672 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.798 22.499 -6.151 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.216 23.094 -8.469 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.722 21.520 -9.050 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.570 23.086 -9.479 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -9.085 22.035 -8.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -9.230 24.586 -7.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.598 23.645 -6.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.552 24.512 -7.580 1.00 0.00 H new ATOM 580 N GLU A 42 -3.673 19.536 -4.744 1.00 0.00 N ATOM 581 CA GLU A 42 -3.488 18.502 -3.684 1.00 0.00 C ATOM 582 C GLU A 42 -2.392 17.515 -4.097 1.00 0.00 C ATOM 583 O GLU A 42 -1.725 17.697 -5.098 1.00 0.00 O ATOM 584 CB GLU A 42 -4.839 17.791 -3.581 1.00 0.00 C ATOM 585 CG GLU A 42 -5.165 17.523 -2.111 1.00 0.00 C ATOM 586 CD GLU A 42 -5.888 16.180 -1.984 1.00 0.00 C ATOM 587 OE1 GLU A 42 -6.921 16.024 -2.614 1.00 0.00 O ATOM 588 OE2 GLU A 42 -5.394 15.329 -1.262 1.00 0.00 O ATOM 0 H GLU A 42 -3.184 19.350 -5.620 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.184 18.936 -2.732 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.620 18.404 -4.031 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.811 16.853 -4.135 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.249 17.512 -1.521 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.790 18.323 -1.715 1.00 0.00 H new ATOM 595 N LYS A 43 -2.205 16.470 -3.336 1.00 0.00 N ATOM 596 CA LYS A 43 -1.156 15.468 -3.683 1.00 0.00 C ATOM 597 C LYS A 43 -1.784 14.078 -3.819 1.00 0.00 C ATOM 598 O LYS A 43 -2.513 13.631 -2.955 1.00 0.00 O ATOM 599 CB LYS A 43 -0.172 15.501 -2.512 1.00 0.00 C ATOM 600 CG LYS A 43 0.976 14.520 -2.773 1.00 0.00 C ATOM 601 CD LYS A 43 1.099 13.549 -1.597 1.00 0.00 C ATOM 602 CE LYS A 43 1.525 14.314 -0.343 1.00 0.00 C ATOM 603 NZ LYS A 43 1.957 13.264 0.620 1.00 0.00 N ATOM 0 H LYS A 43 -2.734 16.267 -2.488 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.666 15.691 -4.631 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.221 16.509 -2.383 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.684 15.238 -1.587 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.794 13.969 -3.695 1.00 0.00 H new ATOM 0 HG3 LYS A 43 1.910 15.065 -2.907 1.00 0.00 H new ATOM 0 HD2 LYS A 43 0.146 13.049 -1.424 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.829 12.773 -1.828 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.337 15.008 -0.561 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.701 14.903 0.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.264 13.712 1.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.162 12.622 0.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.747 12.724 0.213 1.00 0.00 H new ATOM 617 N GLU A 44 -1.510 13.393 -4.897 1.00 0.00 N ATOM 618 CA GLU A 44 -2.098 12.033 -5.084 1.00 0.00 C ATOM 619 C GLU A 44 -1.033 11.053 -5.581 1.00 0.00 C ATOM 620 O GLU A 44 -0.359 11.298 -6.562 1.00 0.00 O ATOM 621 CB GLU A 44 -3.188 12.215 -6.139 1.00 0.00 C ATOM 622 CG GLU A 44 -4.291 13.121 -5.584 1.00 0.00 C ATOM 623 CD GLU A 44 -5.502 13.080 -6.518 1.00 0.00 C ATOM 624 OE1 GLU A 44 -5.904 11.989 -6.888 1.00 0.00 O ATOM 625 OE2 GLU A 44 -6.009 14.140 -6.845 1.00 0.00 O ATOM 0 H GLU A 44 -0.907 13.714 -5.654 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.492 11.626 -4.153 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.764 12.652 -7.043 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.604 11.247 -6.418 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.578 12.793 -4.585 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.924 14.143 -5.491 1.00 0.00 H new ATOM 632 N GLU A 45 -0.886 9.938 -4.915 1.00 0.00 N ATOM 633 CA GLU A 45 0.129 8.934 -5.352 1.00 0.00 C ATOM 634 C GLU A 45 -0.468 8.035 -6.437 1.00 0.00 C ATOM 635 O GLU A 45 -1.653 7.761 -6.444 1.00 0.00 O ATOM 636 CB GLU A 45 0.454 8.124 -4.096 1.00 0.00 C ATOM 637 CG GLU A 45 1.965 7.901 -4.008 1.00 0.00 C ATOM 638 CD GLU A 45 2.305 7.222 -2.680 1.00 0.00 C ATOM 639 OE1 GLU A 45 1.647 7.522 -1.698 1.00 0.00 O ATOM 640 OE2 GLU A 45 3.219 6.414 -2.667 1.00 0.00 O ATOM 0 H GLU A 45 -1.424 9.679 -4.088 1.00 0.00 H new ATOM 0 HA GLU A 45 1.021 9.397 -5.773 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.101 8.651 -3.209 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.065 7.166 -4.124 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.301 7.283 -4.841 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.489 8.854 -4.086 1.00 0.00 H new ATOM 647 N PHE A 46 0.339 7.577 -7.357 1.00 0.00 N ATOM 648 CA PHE A 46 -0.190 6.700 -8.441 1.00 0.00 C ATOM 649 C PHE A 46 0.590 5.385 -8.496 1.00 0.00 C ATOM 650 O PHE A 46 1.781 5.345 -8.254 1.00 0.00 O ATOM 651 CB PHE A 46 0.021 7.498 -9.729 1.00 0.00 C ATOM 652 CG PHE A 46 -1.258 8.209 -10.102 1.00 0.00 C ATOM 653 CD1 PHE A 46 -1.578 9.433 -9.506 1.00 0.00 C ATOM 654 CD2 PHE A 46 -2.122 7.642 -11.047 1.00 0.00 C ATOM 655 CE1 PHE A 46 -2.763 10.093 -9.854 1.00 0.00 C ATOM 656 CE2 PHE A 46 -3.307 8.302 -11.396 1.00 0.00 C ATOM 657 CZ PHE A 46 -3.627 9.527 -10.798 1.00 0.00 C ATOM 0 H PHE A 46 1.339 7.772 -7.404 1.00 0.00 H new ATOM 0 HA PHE A 46 -1.236 6.439 -8.283 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.824 8.222 -9.592 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.326 6.831 -10.535 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -0.911 9.869 -8.777 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.875 6.696 -11.506 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -3.010 11.038 -9.394 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -3.973 7.866 -12.126 1.00 0.00 H new ATOM 0 HZ PHE A 46 -4.541 10.035 -11.066 1.00 0.00 H new ATOM 667 N ALA A 47 -0.073 4.312 -8.829 1.00 0.00 N ATOM 668 CA ALA A 47 0.624 2.997 -8.920 1.00 0.00 C ATOM 669 C ALA A 47 0.921 2.692 -10.388 1.00 0.00 C ATOM 670 O ALA A 47 0.062 2.828 -11.239 1.00 0.00 O ATOM 671 CB ALA A 47 -0.361 1.980 -8.345 1.00 0.00 C ATOM 0 H ALA A 47 -1.070 4.289 -9.043 1.00 0.00 H new ATOM 0 HA ALA A 47 1.571 2.980 -8.380 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.083 0.985 -8.378 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.591 2.240 -7.312 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.278 1.988 -8.934 1.00 0.00 H new ATOM 677 N VAL A 48 2.124 2.297 -10.701 1.00 0.00 N ATOM 678 CA VAL A 48 2.453 2.008 -12.124 1.00 0.00 C ATOM 679 C VAL A 48 3.404 0.812 -12.216 1.00 0.00 C ATOM 680 O VAL A 48 4.206 0.592 -11.330 1.00 0.00 O ATOM 681 CB VAL A 48 3.125 3.286 -12.634 1.00 0.00 C ATOM 682 CG1 VAL A 48 2.156 4.464 -12.490 1.00 0.00 C ATOM 683 CG2 VAL A 48 4.386 3.569 -11.813 1.00 0.00 C ATOM 0 H VAL A 48 2.888 2.163 -10.038 1.00 0.00 H new ATOM 0 HA VAL A 48 1.574 1.749 -12.714 1.00 0.00 H new ATOM 0 HB VAL A 48 3.395 3.156 -13.682 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.633 5.374 -12.853 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.256 4.269 -13.074 1.00 0.00 H new ATOM 0 HG13 VAL A 48 1.888 4.588 -11.441 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.862 4.479 -12.179 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.117 3.696 -10.765 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.079 2.733 -11.911 1.00 0.00 H new ATOM 693 N PRO A 49 3.286 0.072 -13.289 1.00 0.00 N ATOM 694 CA PRO A 49 4.152 -1.111 -13.485 1.00 0.00 C ATOM 695 C PRO A 49 5.586 -0.678 -13.784 1.00 0.00 C ATOM 696 O PRO A 49 5.850 0.007 -14.751 1.00 0.00 O ATOM 697 CB PRO A 49 3.528 -1.828 -14.679 1.00 0.00 C ATOM 698 CG PRO A 49 2.778 -0.770 -15.421 1.00 0.00 C ATOM 699 CD PRO A 49 2.352 0.263 -14.409 1.00 0.00 C ATOM 0 HA PRO A 49 4.210 -1.750 -12.604 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.292 -2.284 -15.308 1.00 0.00 H new ATOM 0 HB3 PRO A 49 2.863 -2.628 -14.355 1.00 0.00 H new ATOM 0 HG2 PRO A 49 3.406 -0.320 -16.190 1.00 0.00 H new ATOM 0 HG3 PRO A 49 1.911 -1.195 -15.926 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.419 1.272 -14.816 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.319 0.113 -14.097 1.00 0.00 H new ATOM 707 N GLU A 50 6.510 -1.072 -12.943 1.00 0.00 N ATOM 708 CA GLU A 50 7.950 -0.699 -13.135 1.00 0.00 C ATOM 709 C GLU A 50 8.314 -0.592 -14.624 1.00 0.00 C ATOM 710 O GLU A 50 9.013 0.311 -15.038 1.00 0.00 O ATOM 711 CB GLU A 50 8.738 -1.840 -12.480 1.00 0.00 C ATOM 712 CG GLU A 50 9.689 -1.279 -11.418 1.00 0.00 C ATOM 713 CD GLU A 50 11.137 -1.575 -11.817 1.00 0.00 C ATOM 714 OE1 GLU A 50 11.438 -1.479 -12.994 1.00 0.00 O ATOM 715 OE2 GLU A 50 11.920 -1.894 -10.937 1.00 0.00 O ATOM 0 H GLU A 50 6.327 -1.645 -12.119 1.00 0.00 H new ATOM 0 HA GLU A 50 8.171 0.275 -12.698 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.051 -2.553 -12.024 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.304 -2.383 -13.237 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.542 -0.204 -11.315 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.470 -1.725 -10.448 1.00 0.00 H new ATOM 722 N ASN A 51 7.845 -1.503 -15.430 1.00 0.00 N ATOM 723 CA ASN A 51 8.172 -1.446 -16.885 1.00 0.00 C ATOM 724 C ASN A 51 7.213 -0.499 -17.616 1.00 0.00 C ATOM 725 O ASN A 51 6.625 -0.851 -18.620 1.00 0.00 O ATOM 726 CB ASN A 51 7.999 -2.880 -17.388 1.00 0.00 C ATOM 727 CG ASN A 51 8.666 -3.024 -18.757 1.00 0.00 C ATOM 728 OD1 ASN A 51 9.856 -2.814 -18.891 1.00 0.00 O ATOM 729 ND2 ASN A 51 7.945 -3.378 -19.785 1.00 0.00 N ATOM 0 H ASN A 51 7.251 -2.283 -15.147 1.00 0.00 H new ATOM 0 HA ASN A 51 9.179 -1.069 -17.063 1.00 0.00 H new ATOM 0 HB2 ASN A 51 8.442 -3.581 -16.680 1.00 0.00 H new ATOM 0 HB3 ASN A 51 6.940 -3.126 -17.460 1.00 0.00 H new ATOM 0 HD21 ASN A 51 8.380 -3.479 -20.702 1.00 0.00 H new ATOM 0 HD22 ASN A 51 6.947 -3.554 -19.671 1.00 0.00 H new ATOM 736 N SER A 52 7.054 0.701 -17.122 1.00 0.00 N ATOM 737 CA SER A 52 6.140 1.672 -17.790 1.00 0.00 C ATOM 738 C SER A 52 6.878 2.981 -18.084 1.00 0.00 C ATOM 739 O SER A 52 7.247 3.710 -17.184 1.00 0.00 O ATOM 740 CB SER A 52 5.013 1.910 -16.786 1.00 0.00 C ATOM 741 OG SER A 52 5.480 2.756 -15.744 1.00 0.00 O ATOM 0 H SER A 52 7.519 1.050 -16.284 1.00 0.00 H new ATOM 0 HA SER A 52 5.767 1.297 -18.743 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.158 2.366 -17.284 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.672 0.960 -16.373 1.00 0.00 H new ATOM 0 HG SER A 52 6.452 2.858 -15.817 1.00 0.00 H new ATOM 747 N SER A 53 7.090 3.287 -19.336 1.00 0.00 N ATOM 748 CA SER A 53 7.799 4.554 -19.682 1.00 0.00 C ATOM 749 C SER A 53 6.986 5.754 -19.190 1.00 0.00 C ATOM 750 O SER A 53 5.789 5.663 -18.994 1.00 0.00 O ATOM 751 CB SER A 53 7.890 4.556 -21.208 1.00 0.00 C ATOM 752 OG SER A 53 9.067 5.245 -21.608 1.00 0.00 O ATOM 0 H SER A 53 6.804 2.717 -20.132 1.00 0.00 H new ATOM 0 HA SER A 53 8.784 4.620 -19.219 1.00 0.00 H new ATOM 0 HB2 SER A 53 7.908 3.533 -21.584 1.00 0.00 H new ATOM 0 HB3 SER A 53 7.010 5.037 -21.636 1.00 0.00 H new ATOM 0 HG SER A 53 9.129 5.246 -22.586 1.00 0.00 H new ATOM 758 N VAL A 54 7.622 6.875 -18.982 1.00 0.00 N ATOM 759 CA VAL A 54 6.878 8.074 -18.497 1.00 0.00 C ATOM 760 C VAL A 54 5.835 8.519 -19.520 1.00 0.00 C ATOM 761 O VAL A 54 4.787 8.994 -19.160 1.00 0.00 O ATOM 762 CB VAL A 54 7.919 9.171 -18.292 1.00 0.00 C ATOM 763 CG1 VAL A 54 7.225 10.435 -17.759 1.00 0.00 C ATOM 764 CG2 VAL A 54 8.967 8.697 -17.281 1.00 0.00 C ATOM 0 H VAL A 54 8.622 7.013 -19.126 1.00 0.00 H new ATOM 0 HA VAL A 54 6.344 7.852 -17.573 1.00 0.00 H new ATOM 0 HB VAL A 54 8.407 9.395 -19.240 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.965 11.221 -17.611 1.00 0.00 H new ATOM 0 HG12 VAL A 54 6.478 10.771 -18.478 1.00 0.00 H new ATOM 0 HG13 VAL A 54 6.739 10.210 -16.809 1.00 0.00 H new ATOM 0 HG21 VAL A 54 9.711 9.480 -17.134 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.481 8.475 -16.331 1.00 0.00 H new ATOM 0 HG23 VAL A 54 9.456 7.798 -17.658 1.00 0.00 H new ATOM 774 N GLN A 55 6.119 8.394 -20.788 1.00 0.00 N ATOM 775 CA GLN A 55 5.134 8.842 -21.824 1.00 0.00 C ATOM 776 C GLN A 55 3.733 8.281 -21.533 1.00 0.00 C ATOM 777 O GLN A 55 2.756 9.010 -21.514 1.00 0.00 O ATOM 778 CB GLN A 55 5.666 8.281 -23.144 1.00 0.00 C ATOM 779 CG GLN A 55 4.960 8.967 -24.314 1.00 0.00 C ATOM 780 CD GLN A 55 5.944 9.149 -25.472 1.00 0.00 C ATOM 781 OE1 GLN A 55 5.956 10.177 -26.119 1.00 0.00 O ATOM 782 NE2 GLN A 55 6.777 8.185 -25.761 1.00 0.00 N ATOM 0 H GLN A 55 6.987 8.003 -21.154 1.00 0.00 H new ATOM 0 HA GLN A 55 5.035 9.927 -21.843 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.742 8.441 -23.211 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.500 7.205 -23.187 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.108 8.370 -24.638 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.570 9.935 -23.999 1.00 0.00 H new ATOM 0 HE21 GLN A 55 6.767 7.322 -25.217 1.00 0.00 H new ATOM 0 HE22 GLN A 55 7.438 8.295 -26.530 1.00 0.00 H new ATOM 791 N GLN A 56 3.624 7.000 -21.302 1.00 0.00 N ATOM 792 CA GLN A 56 2.284 6.405 -21.011 1.00 0.00 C ATOM 793 C GLN A 56 1.710 6.992 -19.717 1.00 0.00 C ATOM 794 O GLN A 56 0.616 7.520 -19.695 1.00 0.00 O ATOM 795 CB GLN A 56 2.542 4.905 -20.852 1.00 0.00 C ATOM 796 CG GLN A 56 1.217 4.180 -20.597 1.00 0.00 C ATOM 797 CD GLN A 56 1.145 2.922 -21.464 1.00 0.00 C ATOM 798 OE1 GLN A 56 1.805 1.939 -21.186 1.00 0.00 O ATOM 799 NE2 GLN A 56 0.367 2.910 -22.512 1.00 0.00 N ATOM 0 H GLN A 56 4.402 6.340 -21.302 1.00 0.00 H new ATOM 0 HA GLN A 56 1.561 6.613 -21.800 1.00 0.00 H new ATOM 0 HB2 GLN A 56 3.017 4.510 -21.750 1.00 0.00 H new ATOM 0 HB3 GLN A 56 3.229 4.730 -20.024 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.134 3.913 -19.543 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.380 4.840 -20.826 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -0.187 3.734 -22.746 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.313 2.076 -23.097 1.00 0.00 H new ATOM 808 N PHE A 57 2.444 6.900 -18.641 1.00 0.00 N ATOM 809 CA PHE A 57 1.953 7.446 -17.339 1.00 0.00 C ATOM 810 C PHE A 57 1.690 8.953 -17.453 1.00 0.00 C ATOM 811 O PHE A 57 0.769 9.475 -16.859 1.00 0.00 O ATOM 812 CB PHE A 57 3.082 7.173 -16.342 1.00 0.00 C ATOM 813 CG PHE A 57 2.701 7.715 -14.984 1.00 0.00 C ATOM 814 CD1 PHE A 57 1.567 7.222 -14.325 1.00 0.00 C ATOM 815 CD2 PHE A 57 3.478 8.713 -14.384 1.00 0.00 C ATOM 816 CE1 PHE A 57 1.214 7.725 -13.067 1.00 0.00 C ATOM 817 CE2 PHE A 57 3.125 9.216 -13.126 1.00 0.00 C ATOM 818 CZ PHE A 57 1.992 8.723 -12.468 1.00 0.00 C ATOM 0 H PHE A 57 3.367 6.468 -18.606 1.00 0.00 H new ATOM 0 HA PHE A 57 1.014 6.986 -17.031 1.00 0.00 H new ATOM 0 HB2 PHE A 57 3.272 6.102 -16.277 1.00 0.00 H new ATOM 0 HB3 PHE A 57 4.005 7.640 -16.685 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.965 6.454 -14.788 1.00 0.00 H new ATOM 0 HD2 PHE A 57 4.351 9.095 -14.892 1.00 0.00 H new ATOM 0 HE1 PHE A 57 0.341 7.343 -12.558 1.00 0.00 H new ATOM 0 HE2 PHE A 57 3.727 9.984 -12.663 1.00 0.00 H new ATOM 0 HZ PHE A 57 1.718 9.112 -11.499 1.00 0.00 H new ATOM 828 N LYS A 58 2.504 9.650 -18.197 1.00 0.00 N ATOM 829 CA LYS A 58 2.323 11.125 -18.338 1.00 0.00 C ATOM 830 C LYS A 58 0.923 11.442 -18.869 1.00 0.00 C ATOM 831 O LYS A 58 0.308 12.416 -18.481 1.00 0.00 O ATOM 832 CB LYS A 58 3.379 11.570 -19.354 1.00 0.00 C ATOM 833 CG LYS A 58 4.501 12.319 -18.632 1.00 0.00 C ATOM 834 CD LYS A 58 5.584 12.707 -19.638 1.00 0.00 C ATOM 835 CE LYS A 58 5.155 13.968 -20.393 1.00 0.00 C ATOM 836 NZ LYS A 58 5.538 13.717 -21.810 1.00 0.00 N ATOM 0 H LYS A 58 3.291 9.261 -18.716 1.00 0.00 H new ATOM 0 HA LYS A 58 2.432 11.637 -17.382 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.784 10.703 -19.876 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.925 12.213 -20.108 1.00 0.00 H new ATOM 0 HG2 LYS A 58 4.104 13.211 -18.147 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.926 11.692 -17.848 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.528 12.883 -19.122 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.752 11.890 -20.340 1.00 0.00 H new ATOM 0 HE2 LYS A 58 4.083 14.139 -20.298 1.00 0.00 H new ATOM 0 HE3 LYS A 58 5.655 14.853 -20.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.713 14.624 -22.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 6.401 13.138 -21.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 4.767 13.214 -22.294 1.00 0.00 H new ATOM 850 N GLU A 59 0.415 10.627 -19.754 1.00 0.00 N ATOM 851 CA GLU A 59 -0.947 10.881 -20.306 1.00 0.00 C ATOM 852 C GLU A 59 -2.016 10.421 -19.310 1.00 0.00 C ATOM 853 O GLU A 59 -3.132 10.905 -19.315 1.00 0.00 O ATOM 854 CB GLU A 59 -1.016 10.052 -21.591 1.00 0.00 C ATOM 855 CG GLU A 59 -2.189 10.534 -22.447 1.00 0.00 C ATOM 856 CD GLU A 59 -1.804 10.465 -23.926 1.00 0.00 C ATOM 857 OE1 GLU A 59 -0.802 11.060 -24.286 1.00 0.00 O ATOM 858 OE2 GLU A 59 -2.520 9.817 -24.674 1.00 0.00 O ATOM 0 H GLU A 59 0.884 9.797 -20.118 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.125 11.940 -20.495 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -0.083 10.146 -22.147 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -1.138 8.996 -21.349 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -3.067 9.916 -22.260 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -2.454 11.556 -22.177 1.00 0.00 H new ATOM 865 N ALA A 60 -1.680 9.496 -18.451 1.00 0.00 N ATOM 866 CA ALA A 60 -2.670 9.008 -17.447 1.00 0.00 C ATOM 867 C ALA A 60 -2.963 10.115 -16.438 1.00 0.00 C ATOM 868 O ALA A 60 -4.101 10.457 -16.180 1.00 0.00 O ATOM 869 CB ALA A 60 -1.994 7.820 -16.761 1.00 0.00 C ATOM 0 H ALA A 60 -0.761 9.056 -18.401 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.619 8.722 -17.901 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.663 7.406 -16.007 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.765 7.054 -17.502 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.071 8.152 -16.285 1.00 0.00 H new ATOM 875 N ILE A 61 -1.934 10.679 -15.869 1.00 0.00 N ATOM 876 CA ILE A 61 -2.125 11.774 -14.874 1.00 0.00 C ATOM 877 C ILE A 61 -2.851 12.953 -15.532 1.00 0.00 C ATOM 878 O ILE A 61 -3.569 13.691 -14.885 1.00 0.00 O ATOM 879 CB ILE A 61 -0.703 12.164 -14.427 1.00 0.00 C ATOM 880 CG1 ILE A 61 -0.756 13.438 -13.564 1.00 0.00 C ATOM 881 CG2 ILE A 61 0.200 12.397 -15.647 1.00 0.00 C ATOM 882 CD1 ILE A 61 -0.748 14.692 -14.451 1.00 0.00 C ATOM 0 H ILE A 61 -0.962 10.427 -16.051 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.734 11.470 -14.023 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.287 11.347 -13.837 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.654 13.428 -12.946 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.097 13.460 -12.886 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.200 12.672 -15.312 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.254 11.484 -16.240 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.212 13.201 -16.256 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.786 15.582 -13.823 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.163 14.709 -15.049 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.615 14.676 -15.111 1.00 0.00 H new ATOM 894 N SER A 62 -2.664 13.137 -16.811 1.00 0.00 N ATOM 895 CA SER A 62 -3.337 14.270 -17.515 1.00 0.00 C ATOM 896 C SER A 62 -4.855 14.065 -17.539 1.00 0.00 C ATOM 897 O SER A 62 -5.617 14.980 -17.299 1.00 0.00 O ATOM 898 CB SER A 62 -2.773 14.247 -18.935 1.00 0.00 C ATOM 899 OG SER A 62 -1.401 14.616 -18.902 1.00 0.00 O ATOM 0 H SER A 62 -2.073 12.551 -17.401 1.00 0.00 H new ATOM 0 HA SER A 62 -3.157 15.223 -17.017 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.883 13.252 -19.366 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.331 14.934 -19.571 1.00 0.00 H new ATOM 0 HG SER A 62 -1.304 15.543 -19.204 1.00 0.00 H new ATOM 905 N LYS A 63 -5.299 12.876 -17.842 1.00 0.00 N ATOM 906 CA LYS A 63 -6.770 12.614 -17.899 1.00 0.00 C ATOM 907 C LYS A 63 -7.434 12.918 -16.550 1.00 0.00 C ATOM 908 O LYS A 63 -8.399 13.655 -16.479 1.00 0.00 O ATOM 909 CB LYS A 63 -6.895 11.126 -18.231 1.00 0.00 C ATOM 910 CG LYS A 63 -8.372 10.766 -18.416 1.00 0.00 C ATOM 911 CD LYS A 63 -8.800 11.087 -19.850 1.00 0.00 C ATOM 912 CE LYS A 63 -10.159 10.440 -20.137 1.00 0.00 C ATOM 913 NZ LYS A 63 -11.099 11.581 -20.312 1.00 0.00 N ATOM 0 H LYS A 63 -4.708 12.072 -18.053 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.264 13.246 -18.637 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.337 10.897 -19.139 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.461 10.526 -17.431 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.528 9.708 -18.207 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.985 11.325 -17.709 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.863 12.166 -19.989 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.054 10.718 -20.554 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -10.120 9.820 -21.033 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -10.470 9.794 -19.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -12.053 11.218 -20.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -11.121 12.150 -19.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.781 12.174 -21.105 1.00 0.00 H new ATOM 927 N ARG A 64 -6.937 12.349 -15.486 1.00 0.00 N ATOM 928 CA ARG A 64 -7.553 12.598 -14.147 1.00 0.00 C ATOM 929 C ARG A 64 -7.479 14.086 -13.785 1.00 0.00 C ATOM 930 O ARG A 64 -8.473 14.700 -13.446 1.00 0.00 O ATOM 931 CB ARG A 64 -6.722 11.768 -13.166 1.00 0.00 C ATOM 932 CG ARG A 64 -7.306 11.900 -11.754 1.00 0.00 C ATOM 933 CD ARG A 64 -7.590 10.508 -11.178 1.00 0.00 C ATOM 934 NE ARG A 64 -9.040 10.521 -10.837 1.00 0.00 N ATOM 935 CZ ARG A 64 -9.512 9.680 -9.957 1.00 0.00 C ATOM 936 NH1 ARG A 64 -9.402 8.395 -10.159 1.00 0.00 N ATOM 937 NH2 ARG A 64 -10.092 10.123 -8.876 1.00 0.00 N ATOM 0 H ARG A 64 -6.132 11.723 -15.483 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.608 12.323 -14.127 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.718 10.722 -13.472 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -5.686 12.107 -13.175 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.608 12.435 -11.110 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -8.225 12.486 -11.784 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -7.362 9.727 -11.903 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -6.979 10.313 -10.297 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.664 11.187 -11.291 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -8.948 8.049 -11.004 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -9.771 7.737 -9.472 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -10.177 11.127 -8.718 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -10.461 9.465 -8.189 1.00 0.00 H new ATOM 951 N PHE A 65 -6.312 14.667 -13.850 1.00 0.00 N ATOM 952 CA PHE A 65 -6.175 16.114 -13.504 1.00 0.00 C ATOM 953 C PHE A 65 -6.896 16.982 -14.539 1.00 0.00 C ATOM 954 O PHE A 65 -7.482 17.996 -14.211 1.00 0.00 O ATOM 955 CB PHE A 65 -4.672 16.388 -13.518 1.00 0.00 C ATOM 956 CG PHE A 65 -4.111 16.147 -12.138 1.00 0.00 C ATOM 957 CD1 PHE A 65 -4.241 17.129 -11.149 1.00 0.00 C ATOM 958 CD2 PHE A 65 -3.465 14.940 -11.847 1.00 0.00 C ATOM 959 CE1 PHE A 65 -3.723 16.904 -9.869 1.00 0.00 C ATOM 960 CE2 PHE A 65 -2.946 14.715 -10.565 1.00 0.00 C ATOM 961 CZ PHE A 65 -3.075 15.697 -9.577 1.00 0.00 C ATOM 0 H PHE A 65 -5.447 14.204 -14.127 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.619 16.349 -12.537 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -4.179 15.740 -14.242 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -4.480 17.416 -13.827 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -4.741 18.060 -11.374 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -3.367 14.182 -12.610 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -3.823 17.661 -9.106 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -2.447 13.784 -10.340 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.675 15.524 -8.589 1.00 0.00 H new ATOM 971 N LYS A 66 -6.848 16.594 -15.789 1.00 0.00 N ATOM 972 CA LYS A 66 -7.521 17.391 -16.862 1.00 0.00 C ATOM 973 C LYS A 66 -6.839 18.754 -17.011 1.00 0.00 C ATOM 974 O LYS A 66 -7.317 19.757 -16.518 1.00 0.00 O ATOM 975 CB LYS A 66 -8.975 17.558 -16.407 1.00 0.00 C ATOM 976 CG LYS A 66 -9.914 17.356 -17.600 1.00 0.00 C ATOM 977 CD LYS A 66 -10.525 15.954 -17.538 1.00 0.00 C ATOM 978 CE LYS A 66 -11.551 15.894 -16.403 1.00 0.00 C ATOM 979 NZ LYS A 66 -11.715 14.442 -16.110 1.00 0.00 N ATOM 0 H LYS A 66 -6.369 15.755 -16.115 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.464 16.897 -17.832 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.206 16.837 -15.623 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.121 18.550 -15.980 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -10.702 18.109 -17.587 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -9.366 17.484 -18.533 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -11.002 15.711 -18.487 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -9.743 15.212 -17.376 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -11.201 16.437 -15.525 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -12.497 16.346 -16.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -12.404 14.319 -15.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -12.055 13.952 -16.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -10.800 14.040 -15.822 1.00 0.00 H new ATOM 993 N SER A 67 -5.723 18.795 -17.691 1.00 0.00 N ATOM 994 CA SER A 67 -5.004 20.089 -17.879 1.00 0.00 C ATOM 995 C SER A 67 -4.163 20.046 -19.159 1.00 0.00 C ATOM 996 O SER A 67 -4.477 20.693 -20.139 1.00 0.00 O ATOM 997 CB SER A 67 -4.105 20.221 -16.651 1.00 0.00 C ATOM 998 OG SER A 67 -3.188 21.290 -16.853 1.00 0.00 O ATOM 0 H SER A 67 -5.278 17.986 -18.125 1.00 0.00 H new ATOM 0 HA SER A 67 -5.688 20.932 -17.977 1.00 0.00 H new ATOM 0 HB2 SER A 67 -4.708 20.407 -15.763 1.00 0.00 H new ATOM 0 HB3 SER A 67 -3.564 19.290 -16.480 1.00 0.00 H new ATOM 0 HG SER A 67 -2.611 21.379 -16.066 1.00 0.00 H new ATOM 1004 N GLN A 68 -3.098 19.288 -19.156 1.00 0.00 N ATOM 1005 CA GLN A 68 -2.236 19.202 -20.371 1.00 0.00 C ATOM 1006 C GLN A 68 -1.532 17.843 -20.424 1.00 0.00 C ATOM 1007 O GLN A 68 -1.820 16.955 -19.645 1.00 0.00 O ATOM 1008 CB GLN A 68 -1.216 20.331 -20.214 1.00 0.00 C ATOM 1009 CG GLN A 68 -1.635 21.527 -21.076 1.00 0.00 C ATOM 1010 CD GLN A 68 -0.764 21.584 -22.333 1.00 0.00 C ATOM 1011 OE1 GLN A 68 -0.047 22.541 -22.546 1.00 0.00 O ATOM 1012 NE2 GLN A 68 -0.798 20.592 -23.181 1.00 0.00 N ATOM 0 H GLN A 68 -2.788 18.725 -18.364 1.00 0.00 H new ATOM 0 HA GLN A 68 -2.810 19.298 -21.293 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -1.148 20.630 -19.168 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -0.226 19.984 -20.512 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -2.685 21.438 -21.353 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -1.532 22.451 -20.508 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -1.400 19.788 -23.002 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -0.222 20.621 -24.023 1.00 0.00 H new ATOM 1021 N THR A 69 -0.612 17.675 -21.337 1.00 0.00 N ATOM 1022 CA THR A 69 0.110 16.372 -21.439 1.00 0.00 C ATOM 1023 C THR A 69 1.498 16.578 -22.053 1.00 0.00 C ATOM 1024 O THR A 69 2.505 16.240 -21.460 1.00 0.00 O ATOM 1025 CB THR A 69 -0.756 15.507 -22.358 1.00 0.00 C ATOM 1026 OG1 THR A 69 -2.127 15.719 -22.052 1.00 0.00 O ATOM 1027 CG2 THR A 69 -0.407 14.033 -22.152 1.00 0.00 C ATOM 0 H THR A 69 -0.329 18.382 -22.016 1.00 0.00 H new ATOM 0 HA THR A 69 0.260 15.910 -20.463 1.00 0.00 H new ATOM 0 HB THR A 69 -0.569 15.780 -23.397 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.683 15.167 -22.641 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.024 13.418 -22.807 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.645 13.872 -22.388 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.592 13.757 -21.114 1.00 0.00 H new ATOM 1035 N ASP A 70 1.559 17.127 -23.237 1.00 0.00 N ATOM 1036 CA ASP A 70 2.882 17.353 -23.894 1.00 0.00 C ATOM 1037 C ASP A 70 3.778 18.222 -23.006 1.00 0.00 C ATOM 1038 O ASP A 70 4.749 17.755 -22.443 1.00 0.00 O ATOM 1039 CB ASP A 70 2.557 18.080 -25.200 1.00 0.00 C ATOM 1040 CG ASP A 70 1.810 17.134 -26.142 1.00 0.00 C ATOM 1041 OD1 ASP A 70 1.051 16.316 -25.647 1.00 0.00 O ATOM 1042 OD2 ASP A 70 2.009 17.242 -27.341 1.00 0.00 O ATOM 0 H ASP A 70 0.750 17.429 -23.779 1.00 0.00 H new ATOM 0 HA ASP A 70 3.419 16.420 -24.067 1.00 0.00 H new ATOM 0 HB2 ASP A 70 1.949 18.961 -24.996 1.00 0.00 H new ATOM 0 HB3 ASP A 70 3.475 18.429 -25.672 1.00 0.00 H new ATOM 1047 N GLN A 71 3.459 19.482 -22.879 1.00 0.00 N ATOM 1048 CA GLN A 71 4.290 20.384 -22.028 1.00 0.00 C ATOM 1049 C GLN A 71 4.299 19.888 -20.578 1.00 0.00 C ATOM 1050 O GLN A 71 5.218 20.153 -19.828 1.00 0.00 O ATOM 1051 CB GLN A 71 3.615 21.753 -22.121 1.00 0.00 C ATOM 1052 CG GLN A 71 3.627 22.233 -23.573 1.00 0.00 C ATOM 1053 CD GLN A 71 3.759 23.756 -23.609 1.00 0.00 C ATOM 1054 OE1 GLN A 71 4.493 24.295 -24.413 1.00 0.00 O ATOM 1055 NE2 GLN A 71 3.074 24.478 -22.765 1.00 0.00 N ATOM 0 H GLN A 71 2.658 19.927 -23.328 1.00 0.00 H new ATOM 0 HA GLN A 71 5.328 20.418 -22.358 1.00 0.00 H new ATOM 0 HB2 GLN A 71 2.590 21.690 -21.757 1.00 0.00 H new ATOM 0 HB3 GLN A 71 4.135 22.470 -21.486 1.00 0.00 H new ATOM 0 HG2 GLN A 71 4.456 21.773 -24.112 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.710 21.925 -24.076 1.00 0.00 H new ATOM 0 HE21 GLN A 71 2.458 24.026 -22.090 1.00 0.00 H new ATOM 0 HE22 GLN A 71 3.155 25.495 -22.781 1.00 0.00 H new ATOM 1064 N LEU A 72 3.281 19.173 -20.181 1.00 0.00 N ATOM 1065 CA LEU A 72 3.222 18.661 -18.778 1.00 0.00 C ATOM 1066 C LEU A 72 4.503 17.897 -18.424 1.00 0.00 C ATOM 1067 O LEU A 72 4.719 16.786 -18.868 1.00 0.00 O ATOM 1068 CB LEU A 72 2.015 17.721 -18.750 1.00 0.00 C ATOM 1069 CG LEU A 72 1.312 17.831 -17.397 1.00 0.00 C ATOM 1070 CD1 LEU A 72 0.017 17.017 -17.426 1.00 0.00 C ATOM 1071 CD2 LEU A 72 2.231 17.289 -16.301 1.00 0.00 C ATOM 0 H LEU A 72 2.486 18.920 -20.767 1.00 0.00 H new ATOM 0 HA LEU A 72 3.131 19.470 -18.054 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.323 17.977 -19.553 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.337 16.694 -18.922 1.00 0.00 H new ATOM 0 HG LEU A 72 1.078 18.876 -17.193 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.484 17.096 -16.461 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.638 17.403 -18.207 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.249 15.972 -17.630 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.731 17.367 -15.336 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.464 16.244 -16.506 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.153 17.869 -16.280 1.00 0.00 H new ATOM 1083 N VAL A 73 5.348 18.485 -17.620 1.00 0.00 N ATOM 1084 CA VAL A 73 6.614 17.800 -17.223 1.00 0.00 C ATOM 1085 C VAL A 73 6.735 17.786 -15.698 1.00 0.00 C ATOM 1086 O VAL A 73 6.232 18.663 -15.024 1.00 0.00 O ATOM 1087 CB VAL A 73 7.735 18.642 -17.839 1.00 0.00 C ATOM 1088 CG1 VAL A 73 9.087 17.989 -17.539 1.00 0.00 C ATOM 1089 CG2 VAL A 73 7.540 18.735 -19.358 1.00 0.00 C ATOM 0 H VAL A 73 5.216 19.414 -17.219 1.00 0.00 H new ATOM 0 HA VAL A 73 6.652 16.765 -17.563 1.00 0.00 H new ATOM 0 HB VAL A 73 7.709 19.644 -17.410 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.885 18.588 -17.977 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.230 17.927 -16.460 1.00 0.00 H new ATOM 0 HG13 VAL A 73 9.109 16.986 -17.966 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.340 19.335 -19.791 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.562 17.734 -19.790 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.579 19.202 -19.574 1.00 0.00 H new ATOM 1099 N LEU A 74 7.397 16.804 -15.142 1.00 0.00 N ATOM 1100 CA LEU A 74 7.535 16.760 -13.658 1.00 0.00 C ATOM 1101 C LEU A 74 8.929 17.241 -13.246 1.00 0.00 C ATOM 1102 O LEU A 74 9.900 17.030 -13.946 1.00 0.00 O ATOM 1103 CB LEU A 74 7.332 15.292 -13.287 1.00 0.00 C ATOM 1104 CG LEU A 74 5.918 15.089 -12.741 1.00 0.00 C ATOM 1105 CD1 LEU A 74 4.897 15.407 -13.834 1.00 0.00 C ATOM 1106 CD2 LEU A 74 5.754 13.633 -12.298 1.00 0.00 C ATOM 0 H LEU A 74 7.844 16.038 -15.647 1.00 0.00 H new ATOM 0 HA LEU A 74 6.818 17.406 -13.152 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.488 14.661 -14.162 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.067 14.990 -12.541 1.00 0.00 H new ATOM 0 HG LEU A 74 5.755 15.752 -11.891 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.890 15.262 -13.444 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.017 16.442 -14.154 1.00 0.00 H new ATOM 0 HD13 LEU A 74 5.056 14.744 -14.684 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.747 13.483 -11.908 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.915 12.973 -13.150 1.00 0.00 H new ATOM 0 HD23 LEU A 74 6.483 13.405 -11.520 1.00 0.00 H new ATOM 1118 N ILE A 75 9.033 17.895 -12.119 1.00 0.00 N ATOM 1119 CA ILE A 75 10.363 18.398 -11.666 1.00 0.00 C ATOM 1120 C ILE A 75 10.873 17.571 -10.483 1.00 0.00 C ATOM 1121 O ILE A 75 10.712 17.946 -9.337 1.00 0.00 O ATOM 1122 CB ILE A 75 10.109 19.851 -11.245 1.00 0.00 C ATOM 1123 CG1 ILE A 75 9.773 20.687 -12.485 1.00 0.00 C ATOM 1124 CG2 ILE A 75 11.360 20.423 -10.568 1.00 0.00 C ATOM 1125 CD1 ILE A 75 10.947 20.655 -13.469 1.00 0.00 C ATOM 0 H ILE A 75 8.255 18.102 -11.493 1.00 0.00 H new ATOM 0 HA ILE A 75 11.121 18.325 -12.445 1.00 0.00 H new ATOM 0 HB ILE A 75 9.276 19.882 -10.543 1.00 0.00 H new ATOM 0 HG12 ILE A 75 8.875 20.298 -12.964 1.00 0.00 H new ATOM 0 HG13 ILE A 75 9.559 21.715 -12.194 1.00 0.00 H new ATOM 0 HG21 ILE A 75 11.173 21.455 -10.271 1.00 0.00 H new ATOM 0 HG22 ILE A 75 11.600 19.830 -9.686 1.00 0.00 H new ATOM 0 HG23 ILE A 75 12.197 20.392 -11.265 1.00 0.00 H new ATOM 0 HD11 ILE A 75 10.701 21.251 -14.348 1.00 0.00 H new ATOM 0 HD12 ILE A 75 11.835 21.065 -12.989 1.00 0.00 H new ATOM 0 HD13 ILE A 75 11.141 19.626 -13.771 1.00 0.00 H new ATOM 1137 N PHE A 76 11.493 16.455 -10.752 1.00 0.00 N ATOM 1138 CA PHE A 76 12.020 15.608 -9.641 1.00 0.00 C ATOM 1139 C PHE A 76 13.519 15.866 -9.453 1.00 0.00 C ATOM 1140 O PHE A 76 14.302 15.730 -10.373 1.00 0.00 O ATOM 1141 CB PHE A 76 11.767 14.162 -10.081 1.00 0.00 C ATOM 1142 CG PHE A 76 12.355 13.193 -9.074 1.00 0.00 C ATOM 1143 CD1 PHE A 76 12.515 13.572 -7.731 1.00 0.00 C ATOM 1144 CD2 PHE A 76 12.739 11.910 -9.485 1.00 0.00 C ATOM 1145 CE1 PHE A 76 13.058 12.670 -6.808 1.00 0.00 C ATOM 1146 CE2 PHE A 76 13.282 11.010 -8.560 1.00 0.00 C ATOM 1147 CZ PHE A 76 13.442 11.390 -7.223 1.00 0.00 C ATOM 0 H PHE A 76 11.658 16.092 -11.691 1.00 0.00 H new ATOM 0 HA PHE A 76 11.538 15.826 -8.688 1.00 0.00 H new ATOM 0 HB2 PHE A 76 10.696 13.988 -10.181 1.00 0.00 H new ATOM 0 HB3 PHE A 76 12.210 13.991 -11.062 1.00 0.00 H new ATOM 0 HD1 PHE A 76 12.219 14.560 -7.410 1.00 0.00 H new ATOM 0 HD2 PHE A 76 12.616 11.615 -10.517 1.00 0.00 H new ATOM 0 HE1 PHE A 76 13.180 12.962 -5.776 1.00 0.00 H new ATOM 0 HE2 PHE A 76 13.578 10.021 -8.879 1.00 0.00 H new ATOM 0 HZ PHE A 76 13.862 10.695 -6.511 1.00 0.00 H new ATOM 1157 N ALA A 77 13.922 16.236 -8.265 1.00 0.00 N ATOM 1158 CA ALA A 77 15.370 16.506 -8.006 1.00 0.00 C ATOM 1159 C ALA A 77 15.914 17.529 -9.008 1.00 0.00 C ATOM 1160 O ALA A 77 17.093 17.553 -9.304 1.00 0.00 O ATOM 1161 CB ALA A 77 16.070 15.154 -8.181 1.00 0.00 C ATOM 0 H ALA A 77 13.309 16.363 -7.460 1.00 0.00 H new ATOM 0 HA ALA A 77 15.535 16.923 -7.012 1.00 0.00 H new ATOM 0 HB1 ALA A 77 17.139 15.273 -8.006 1.00 0.00 H new ATOM 0 HB2 ALA A 77 15.663 14.438 -7.467 1.00 0.00 H new ATOM 0 HB3 ALA A 77 15.907 14.788 -9.195 1.00 0.00 H new ATOM 1167 N GLY A 78 15.065 18.374 -9.530 1.00 0.00 N ATOM 1168 CA GLY A 78 15.534 19.395 -10.511 1.00 0.00 C ATOM 1169 C GLY A 78 15.751 18.737 -11.875 1.00 0.00 C ATOM 1170 O GLY A 78 16.541 19.197 -12.677 1.00 0.00 O ATOM 0 H GLY A 78 14.067 18.401 -9.319 1.00 0.00 H new ATOM 0 HA2 GLY A 78 14.800 20.196 -10.596 1.00 0.00 H new ATOM 0 HA3 GLY A 78 16.462 19.848 -10.163 1.00 0.00 H new ATOM 1174 N LYS A 79 15.055 17.665 -12.145 1.00 0.00 N ATOM 1175 CA LYS A 79 15.219 16.978 -13.458 1.00 0.00 C ATOM 1176 C LYS A 79 13.850 16.744 -14.103 1.00 0.00 C ATOM 1177 O LYS A 79 12.906 16.346 -13.449 1.00 0.00 O ATOM 1178 CB LYS A 79 15.891 15.644 -13.129 1.00 0.00 C ATOM 1179 CG LYS A 79 16.493 15.047 -14.404 1.00 0.00 C ATOM 1180 CD LYS A 79 16.259 13.534 -14.424 1.00 0.00 C ATOM 1181 CE LYS A 79 15.939 13.084 -15.851 1.00 0.00 C ATOM 1182 NZ LYS A 79 14.454 13.142 -15.949 1.00 0.00 N ATOM 0 H LYS A 79 14.380 17.236 -11.512 1.00 0.00 H new ATOM 0 HA LYS A 79 15.808 17.566 -14.162 1.00 0.00 H new ATOM 0 HB2 LYS A 79 16.670 15.792 -12.381 1.00 0.00 H new ATOM 0 HB3 LYS A 79 15.164 14.954 -12.700 1.00 0.00 H new ATOM 0 HG2 LYS A 79 16.039 15.507 -15.282 1.00 0.00 H new ATOM 0 HG3 LYS A 79 17.561 15.260 -14.448 1.00 0.00 H new ATOM 0 HD2 LYS A 79 17.144 13.014 -14.058 1.00 0.00 H new ATOM 0 HD3 LYS A 79 15.437 13.274 -13.757 1.00 0.00 H new ATOM 0 HE2 LYS A 79 16.409 13.738 -16.586 1.00 0.00 H new ATOM 0 HE3 LYS A 79 16.308 12.076 -16.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 14.074 12.178 -16.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 14.067 13.591 -15.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 14.183 13.698 -16.785 1.00 0.00 H new ATOM 1196 N ILE A 80 13.736 16.994 -15.380 1.00 0.00 N ATOM 1197 CA ILE A 80 12.427 16.790 -16.066 1.00 0.00 C ATOM 1198 C ILE A 80 11.963 15.342 -15.957 1.00 0.00 C ATOM 1199 O ILE A 80 12.217 14.538 -16.830 1.00 0.00 O ATOM 1200 CB ILE A 80 12.654 17.153 -17.538 1.00 0.00 C ATOM 1201 CG1 ILE A 80 13.893 16.429 -18.075 1.00 0.00 C ATOM 1202 CG2 ILE A 80 12.843 18.666 -17.672 1.00 0.00 C ATOM 1203 CD1 ILE A 80 13.442 15.338 -19.037 1.00 0.00 C ATOM 0 H ILE A 80 14.492 17.330 -15.977 1.00 0.00 H new ATOM 0 HA ILE A 80 11.655 17.407 -15.607 1.00 0.00 H new ATOM 0 HB ILE A 80 11.784 16.843 -18.117 1.00 0.00 H new ATOM 0 HG12 ILE A 80 14.551 17.133 -18.584 1.00 0.00 H new ATOM 0 HG13 ILE A 80 14.464 15.996 -17.253 1.00 0.00 H new ATOM 0 HG21 ILE A 80 13.004 18.921 -18.719 1.00 0.00 H new ATOM 0 HG22 ILE A 80 11.953 19.178 -17.307 1.00 0.00 H new ATOM 0 HG23 ILE A 80 13.707 18.978 -17.085 1.00 0.00 H new ATOM 0 HD11 ILE A 80 14.314 14.814 -19.427 1.00 0.00 H new ATOM 0 HD12 ILE A 80 12.800 14.632 -18.511 1.00 0.00 H new ATOM 0 HD13 ILE A 80 12.889 15.786 -19.862 1.00 0.00 H new ATOM 1215 N LEU A 81 11.246 15.000 -14.917 1.00 0.00 N ATOM 1216 CA LEU A 81 10.741 13.606 -14.823 1.00 0.00 C ATOM 1217 C LEU A 81 9.727 13.430 -15.949 1.00 0.00 C ATOM 1218 O LEU A 81 8.545 13.675 -15.781 1.00 0.00 O ATOM 1219 CB LEU A 81 10.072 13.483 -13.452 1.00 0.00 C ATOM 1220 CG LEU A 81 10.313 12.078 -12.895 1.00 0.00 C ATOM 1221 CD1 LEU A 81 9.792 11.990 -11.457 1.00 0.00 C ATOM 1222 CD2 LEU A 81 9.577 11.054 -13.766 1.00 0.00 C ATOM 0 H LEU A 81 10.994 15.616 -14.144 1.00 0.00 H new ATOM 0 HA LEU A 81 11.519 12.848 -14.919 1.00 0.00 H new ATOM 0 HB2 LEU A 81 10.475 14.231 -12.770 1.00 0.00 H new ATOM 0 HB3 LEU A 81 9.002 13.674 -13.538 1.00 0.00 H new ATOM 0 HG LEU A 81 11.382 11.868 -12.902 1.00 0.00 H new ATOM 0 HD11 LEU A 81 9.967 10.987 -11.067 1.00 0.00 H new ATOM 0 HD12 LEU A 81 10.315 12.717 -10.836 1.00 0.00 H new ATOM 0 HD13 LEU A 81 8.723 12.203 -11.444 1.00 0.00 H new ATOM 0 HD21 LEU A 81 9.747 10.052 -13.372 1.00 0.00 H new ATOM 0 HD22 LEU A 81 8.509 11.271 -13.758 1.00 0.00 H new ATOM 0 HD23 LEU A 81 9.951 11.110 -14.788 1.00 0.00 H new ATOM 1234 N LYS A 82 10.195 13.067 -17.110 1.00 0.00 N ATOM 1235 CA LYS A 82 9.279 12.929 -18.270 1.00 0.00 C ATOM 1236 C LYS A 82 9.647 11.708 -19.118 1.00 0.00 C ATOM 1237 O LYS A 82 10.150 10.721 -18.621 1.00 0.00 O ATOM 1238 CB LYS A 82 9.478 14.222 -19.065 1.00 0.00 C ATOM 1239 CG LYS A 82 8.149 14.643 -19.691 1.00 0.00 C ATOM 1240 CD LYS A 82 8.357 15.892 -20.550 1.00 0.00 C ATOM 1241 CE LYS A 82 8.542 15.485 -22.015 1.00 0.00 C ATOM 1242 NZ LYS A 82 9.911 15.948 -22.375 1.00 0.00 N ATOM 0 H LYS A 82 11.175 12.860 -17.304 1.00 0.00 H new ATOM 0 HA LYS A 82 8.243 12.782 -17.964 1.00 0.00 H new ATOM 0 HB2 LYS A 82 9.850 15.010 -18.411 1.00 0.00 H new ATOM 0 HB3 LYS A 82 10.227 14.072 -19.842 1.00 0.00 H new ATOM 0 HG2 LYS A 82 7.750 13.832 -20.301 1.00 0.00 H new ATOM 0 HG3 LYS A 82 7.416 14.845 -18.910 1.00 0.00 H new ATOM 0 HD2 LYS A 82 7.500 16.559 -20.453 1.00 0.00 H new ATOM 0 HD3 LYS A 82 9.231 16.443 -20.202 1.00 0.00 H new ATOM 0 HE2 LYS A 82 8.445 14.407 -22.140 1.00 0.00 H new ATOM 0 HE3 LYS A 82 7.789 15.949 -22.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 10.110 15.704 -23.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 9.972 16.979 -22.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 10.608 15.484 -21.758 1.00 0.00 H new ATOM 1256 N ASP A 83 9.392 11.775 -20.394 1.00 0.00 N ATOM 1257 CA ASP A 83 9.711 10.624 -21.291 1.00 0.00 C ATOM 1258 C ASP A 83 11.218 10.525 -21.534 1.00 0.00 C ATOM 1259 O ASP A 83 11.728 9.485 -21.905 1.00 0.00 O ATOM 1260 CB ASP A 83 8.959 10.911 -22.593 1.00 0.00 C ATOM 1261 CG ASP A 83 9.490 12.195 -23.239 1.00 0.00 C ATOM 1262 OD1 ASP A 83 10.118 12.975 -22.541 1.00 0.00 O ATOM 1263 OD2 ASP A 83 9.259 12.377 -24.423 1.00 0.00 O ATOM 0 H ASP A 83 8.974 12.581 -20.859 1.00 0.00 H new ATOM 0 HA ASP A 83 9.412 9.671 -20.855 1.00 0.00 H new ATOM 0 HB2 ASP A 83 9.076 10.074 -23.281 1.00 0.00 H new ATOM 0 HB3 ASP A 83 7.893 11.011 -22.391 1.00 0.00 H new ATOM 1268 N GLN A 84 11.934 11.596 -21.326 1.00 0.00 N ATOM 1269 CA GLN A 84 13.410 11.566 -21.543 1.00 0.00 C ATOM 1270 C GLN A 84 14.032 10.405 -20.766 1.00 0.00 C ATOM 1271 O GLN A 84 15.007 9.816 -21.189 1.00 0.00 O ATOM 1272 CB GLN A 84 13.916 12.903 -21.003 1.00 0.00 C ATOM 1273 CG GLN A 84 13.945 13.939 -22.132 1.00 0.00 C ATOM 1274 CD GLN A 84 15.388 14.379 -22.389 1.00 0.00 C ATOM 1275 OE1 GLN A 84 16.143 13.679 -23.035 1.00 0.00 O ATOM 1276 NE2 GLN A 84 15.806 15.517 -21.908 1.00 0.00 N ATOM 0 H GLN A 84 11.561 12.493 -21.015 1.00 0.00 H new ATOM 0 HA GLN A 84 13.672 11.425 -22.592 1.00 0.00 H new ATOM 0 HB2 GLN A 84 13.270 13.248 -20.196 1.00 0.00 H new ATOM 0 HB3 GLN A 84 14.914 12.782 -20.582 1.00 0.00 H new ATOM 0 HG2 GLN A 84 13.517 13.514 -23.040 1.00 0.00 H new ATOM 0 HG3 GLN A 84 13.334 14.801 -21.864 1.00 0.00 H new ATOM 0 HE21 GLN A 84 15.173 16.105 -21.366 1.00 0.00 H new ATOM 0 HE22 GLN A 84 16.766 15.819 -22.074 1.00 0.00 H new ATOM 1285 N ASP A 85 13.475 10.073 -19.631 1.00 0.00 N ATOM 1286 CA ASP A 85 14.042 8.946 -18.830 1.00 0.00 C ATOM 1287 C ASP A 85 12.923 8.019 -18.352 1.00 0.00 C ATOM 1288 O ASP A 85 11.861 8.465 -17.961 1.00 0.00 O ATOM 1289 CB ASP A 85 14.729 9.615 -17.638 1.00 0.00 C ATOM 1290 CG ASP A 85 16.244 9.623 -17.858 1.00 0.00 C ATOM 1291 OD1 ASP A 85 16.776 8.585 -18.212 1.00 0.00 O ATOM 1292 OD2 ASP A 85 16.845 10.668 -17.669 1.00 0.00 O ATOM 0 H ASP A 85 12.658 10.529 -19.225 1.00 0.00 H new ATOM 0 HA ASP A 85 14.733 8.335 -19.410 1.00 0.00 H new ATOM 0 HB2 ASP A 85 14.363 10.635 -17.520 1.00 0.00 H new ATOM 0 HB3 ASP A 85 14.487 9.081 -16.719 1.00 0.00 H new ATOM 1297 N THR A 86 13.152 6.731 -18.375 1.00 0.00 N ATOM 1298 CA THR A 86 12.098 5.778 -17.915 1.00 0.00 C ATOM 1299 C THR A 86 11.736 6.079 -16.458 1.00 0.00 C ATOM 1300 O THR A 86 12.562 6.523 -15.681 1.00 0.00 O ATOM 1301 CB THR A 86 12.711 4.376 -18.044 1.00 0.00 C ATOM 1302 OG1 THR A 86 14.053 4.474 -18.506 1.00 0.00 O ATOM 1303 CG2 THR A 86 11.886 3.546 -19.032 1.00 0.00 C ATOM 0 H THR A 86 14.020 6.299 -18.691 1.00 0.00 H new ATOM 0 HA THR A 86 11.184 5.860 -18.504 1.00 0.00 H new ATOM 0 HB THR A 86 12.705 3.891 -17.068 1.00 0.00 H new ATOM 0 HG1 THR A 86 14.512 3.621 -18.360 1.00 0.00 H new ATOM 0 HG21 THR A 86 12.321 2.551 -19.123 1.00 0.00 H new ATOM 0 HG22 THR A 86 10.861 3.462 -18.670 1.00 0.00 H new ATOM 0 HG23 THR A 86 11.887 4.034 -20.007 1.00 0.00 H new ATOM 1311 N LEU A 87 10.505 5.855 -16.084 1.00 0.00 N ATOM 1312 CA LEU A 87 10.092 6.148 -14.681 1.00 0.00 C ATOM 1313 C LEU A 87 10.958 5.367 -13.687 1.00 0.00 C ATOM 1314 O LEU A 87 11.481 5.925 -12.742 1.00 0.00 O ATOM 1315 CB LEU A 87 8.628 5.704 -14.608 1.00 0.00 C ATOM 1316 CG LEU A 87 7.951 6.316 -13.379 1.00 0.00 C ATOM 1317 CD1 LEU A 87 8.182 7.833 -13.349 1.00 0.00 C ATOM 1318 CD2 LEU A 87 6.447 6.036 -13.440 1.00 0.00 C ATOM 0 H LEU A 87 9.770 5.483 -16.686 1.00 0.00 H new ATOM 0 HA LEU A 87 10.212 7.200 -14.423 1.00 0.00 H new ATOM 0 HB2 LEU A 87 8.102 6.010 -15.512 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.572 4.617 -14.559 1.00 0.00 H new ATOM 0 HG LEU A 87 8.377 5.872 -12.479 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.696 8.258 -12.471 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.252 8.037 -13.306 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.762 8.283 -14.249 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.960 6.470 -12.567 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.031 6.479 -14.345 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.278 4.959 -13.452 1.00 0.00 H new ATOM 1330 N ILE A 88 11.134 4.090 -13.897 1.00 0.00 N ATOM 1331 CA ILE A 88 11.990 3.296 -12.963 1.00 0.00 C ATOM 1332 C ILE A 88 13.467 3.636 -13.175 1.00 0.00 C ATOM 1333 O ILE A 88 14.315 3.282 -12.379 1.00 0.00 O ATOM 1334 CB ILE A 88 11.737 1.829 -13.309 1.00 0.00 C ATOM 1335 CG1 ILE A 88 12.026 1.584 -14.798 1.00 0.00 C ATOM 1336 CG2 ILE A 88 10.284 1.480 -13.002 1.00 0.00 C ATOM 1337 CD1 ILE A 88 13.345 0.822 -14.947 1.00 0.00 C ATOM 0 H ILE A 88 10.726 3.563 -14.669 1.00 0.00 H new ATOM 0 HA ILE A 88 11.751 3.513 -11.922 1.00 0.00 H new ATOM 0 HB ILE A 88 12.397 1.199 -12.712 1.00 0.00 H new ATOM 0 HG12 ILE A 88 11.213 1.014 -15.248 1.00 0.00 H new ATOM 0 HG13 ILE A 88 12.081 2.534 -15.329 1.00 0.00 H new ATOM 0 HG21 ILE A 88 10.101 0.434 -13.248 1.00 0.00 H new ATOM 0 HG22 ILE A 88 10.087 1.643 -11.943 1.00 0.00 H new ATOM 0 HG23 ILE A 88 9.625 2.113 -13.596 1.00 0.00 H new ATOM 0 HD11 ILE A 88 13.548 0.649 -16.004 1.00 0.00 H new ATOM 0 HD12 ILE A 88 14.155 1.408 -14.513 1.00 0.00 H new ATOM 0 HD13 ILE A 88 13.273 -0.135 -14.430 1.00 0.00 H new ATOM 1349 N GLN A 89 13.784 4.301 -14.254 1.00 0.00 N ATOM 1350 CA GLN A 89 15.208 4.639 -14.531 1.00 0.00 C ATOM 1351 C GLN A 89 15.629 5.926 -13.818 1.00 0.00 C ATOM 1352 O GLN A 89 16.807 6.213 -13.710 1.00 0.00 O ATOM 1353 CB GLN A 89 15.279 4.821 -16.047 1.00 0.00 C ATOM 1354 CG GLN A 89 16.728 5.080 -16.465 1.00 0.00 C ATOM 1355 CD GLN A 89 16.933 4.620 -17.909 1.00 0.00 C ATOM 1356 OE1 GLN A 89 16.489 3.555 -18.289 1.00 0.00 O ATOM 1357 NE2 GLN A 89 17.593 5.383 -18.737 1.00 0.00 N ATOM 0 H GLN A 89 13.117 4.624 -14.955 1.00 0.00 H new ATOM 0 HA GLN A 89 15.881 3.861 -14.170 1.00 0.00 H new ATOM 0 HB2 GLN A 89 14.899 3.931 -16.549 1.00 0.00 H new ATOM 0 HB3 GLN A 89 14.647 5.654 -16.353 1.00 0.00 H new ATOM 0 HG2 GLN A 89 16.960 6.141 -16.374 1.00 0.00 H new ATOM 0 HG3 GLN A 89 17.410 4.547 -15.802 1.00 0.00 H new ATOM 0 HE21 GLN A 89 17.966 6.277 -18.419 1.00 0.00 H new ATOM 0 HE22 GLN A 89 17.736 5.085 -19.702 1.00 0.00 H new ATOM 1366 N HIS A 90 14.702 6.717 -13.335 1.00 0.00 N ATOM 1367 CA HIS A 90 15.115 7.980 -12.649 1.00 0.00 C ATOM 1368 C HIS A 90 13.928 8.664 -11.979 1.00 0.00 C ATOM 1369 O HIS A 90 14.051 9.234 -10.913 1.00 0.00 O ATOM 1370 CB HIS A 90 15.661 8.870 -13.764 1.00 0.00 C ATOM 1371 CG HIS A 90 16.789 9.709 -13.232 1.00 0.00 C ATOM 1372 ND1 HIS A 90 16.576 10.943 -12.636 1.00 0.00 N ATOM 1373 CD2 HIS A 90 18.147 9.505 -13.195 1.00 0.00 C ATOM 1374 CE1 HIS A 90 17.776 11.428 -12.270 1.00 0.00 C ATOM 1375 NE2 HIS A 90 18.768 10.592 -12.587 1.00 0.00 N ATOM 0 H HIS A 90 13.697 6.548 -13.384 1.00 0.00 H new ATOM 0 HA HIS A 90 15.845 7.785 -11.864 1.00 0.00 H new ATOM 0 HB2 HIS A 90 16.011 8.257 -14.594 1.00 0.00 H new ATOM 0 HB3 HIS A 90 14.869 9.511 -14.152 1.00 0.00 H new ATOM 0 HD2 HIS A 90 18.656 8.633 -13.579 1.00 0.00 H new ATOM 0 HE1 HIS A 90 17.920 12.379 -11.779 1.00 0.00 H new ATOM 0 HE2 HIS A 90 19.766 10.722 -12.420 1.00 0.00 H new ATOM 1383 N GLY A 91 12.787 8.636 -12.605 1.00 0.00 N ATOM 1384 CA GLY A 91 11.602 9.312 -12.013 1.00 0.00 C ATOM 1385 C GLY A 91 11.283 8.722 -10.643 1.00 0.00 C ATOM 1386 O GLY A 91 11.092 9.441 -9.683 1.00 0.00 O ATOM 0 H GLY A 91 12.624 8.175 -13.500 1.00 0.00 H new ATOM 0 HA2 GLY A 91 11.794 10.381 -11.920 1.00 0.00 H new ATOM 0 HA3 GLY A 91 10.743 9.199 -12.674 1.00 0.00 H new ATOM 1390 N ILE A 92 11.204 7.422 -10.539 1.00 0.00 N ATOM 1391 CA ILE A 92 10.872 6.810 -9.221 1.00 0.00 C ATOM 1392 C ILE A 92 11.666 5.522 -9.005 1.00 0.00 C ATOM 1393 O ILE A 92 11.925 4.772 -9.926 1.00 0.00 O ATOM 1394 CB ILE A 92 9.369 6.480 -9.269 1.00 0.00 C ATOM 1395 CG1 ILE A 92 8.706 7.118 -10.505 1.00 0.00 C ATOM 1396 CG2 ILE A 92 8.692 6.984 -7.990 1.00 0.00 C ATOM 1397 CD1 ILE A 92 8.421 8.606 -10.265 1.00 0.00 C ATOM 0 H ILE A 92 11.354 6.763 -11.303 1.00 0.00 H new ATOM 0 HA ILE A 92 11.118 7.491 -8.406 1.00 0.00 H new ATOM 0 HB ILE A 92 9.251 5.399 -9.341 1.00 0.00 H new ATOM 0 HG12 ILE A 92 9.357 7.003 -11.372 1.00 0.00 H new ATOM 0 HG13 ILE A 92 7.776 6.597 -10.733 1.00 0.00 H new ATOM 0 HG21 ILE A 92 7.628 6.750 -8.025 1.00 0.00 H new ATOM 0 HG22 ILE A 92 9.142 6.498 -7.124 1.00 0.00 H new ATOM 0 HG23 ILE A 92 8.824 8.063 -7.910 1.00 0.00 H new ATOM 0 HD11 ILE A 92 7.953 9.034 -11.151 1.00 0.00 H new ATOM 0 HD12 ILE A 92 7.751 8.715 -9.412 1.00 0.00 H new ATOM 0 HD13 ILE A 92 9.356 9.127 -10.061 1.00 0.00 H new ATOM 1409 N HIS A 93 12.022 5.251 -7.783 1.00 0.00 N ATOM 1410 CA HIS A 93 12.765 4.000 -7.473 1.00 0.00 C ATOM 1411 C HIS A 93 11.834 3.068 -6.699 1.00 0.00 C ATOM 1412 O HIS A 93 11.858 1.864 -6.861 1.00 0.00 O ATOM 1413 CB HIS A 93 13.946 4.435 -6.605 1.00 0.00 C ATOM 1414 CG HIS A 93 15.052 4.947 -7.485 1.00 0.00 C ATOM 1415 ND1 HIS A 93 16.376 4.962 -7.075 1.00 0.00 N ATOM 1416 CD2 HIS A 93 15.048 5.466 -8.756 1.00 0.00 C ATOM 1417 CE1 HIS A 93 17.108 5.474 -8.082 1.00 0.00 C ATOM 1418 NE2 HIS A 93 16.347 5.798 -9.131 1.00 0.00 N ATOM 0 H HIS A 93 11.829 5.847 -6.978 1.00 0.00 H new ATOM 0 HA HIS A 93 13.110 3.471 -8.361 1.00 0.00 H new ATOM 0 HB2 HIS A 93 13.632 5.212 -5.908 1.00 0.00 H new ATOM 0 HB3 HIS A 93 14.301 3.595 -6.008 1.00 0.00 H new ATOM 0 HD2 HIS A 93 14.170 5.597 -9.372 1.00 0.00 H new ATOM 0 HE1 HIS A 93 18.179 5.607 -8.046 1.00 0.00 H new ATOM 0 HE2 HIS A 93 16.652 6.202 -10.017 1.00 0.00 H new ATOM 1426 N ASP A 94 10.998 3.638 -5.867 1.00 0.00 N ATOM 1427 CA ASP A 94 10.032 2.825 -5.072 1.00 0.00 C ATOM 1428 C ASP A 94 9.143 3.748 -4.231 1.00 0.00 C ATOM 1429 O ASP A 94 8.713 3.397 -3.150 1.00 0.00 O ATOM 1430 CB ASP A 94 10.892 1.936 -4.171 1.00 0.00 C ATOM 1431 CG ASP A 94 9.990 1.014 -3.347 1.00 0.00 C ATOM 1432 OD1 ASP A 94 8.972 0.592 -3.870 1.00 0.00 O ATOM 1433 OD2 ASP A 94 10.333 0.744 -2.208 1.00 0.00 O ATOM 0 H ASP A 94 10.945 4.644 -5.704 1.00 0.00 H new ATOM 0 HA ASP A 94 9.372 2.232 -5.705 1.00 0.00 H new ATOM 0 HB2 ASP A 94 11.579 1.344 -4.776 1.00 0.00 H new ATOM 0 HB3 ASP A 94 11.501 2.552 -3.509 1.00 0.00 H new ATOM 1438 N GLY A 95 8.861 4.930 -4.723 1.00 0.00 N ATOM 1439 CA GLY A 95 7.998 5.872 -3.954 1.00 0.00 C ATOM 1440 C GLY A 95 8.735 7.196 -3.726 1.00 0.00 C ATOM 1441 O GLY A 95 9.101 7.525 -2.615 1.00 0.00 O ATOM 0 H GLY A 95 9.192 5.280 -5.622 1.00 0.00 H new ATOM 0 HA2 GLY A 95 7.070 6.052 -4.497 1.00 0.00 H new ATOM 0 HA3 GLY A 95 7.726 5.429 -2.996 1.00 0.00 H new ATOM 1445 N LEU A 96 8.948 7.965 -4.764 1.00 0.00 N ATOM 1446 CA LEU A 96 9.651 9.270 -4.593 1.00 0.00 C ATOM 1447 C LEU A 96 8.663 10.426 -4.786 1.00 0.00 C ATOM 1448 O LEU A 96 7.517 10.221 -5.136 1.00 0.00 O ATOM 1449 CB LEU A 96 10.732 9.294 -5.676 1.00 0.00 C ATOM 1450 CG LEU A 96 11.706 8.132 -5.459 1.00 0.00 C ATOM 1451 CD1 LEU A 96 12.804 8.180 -6.524 1.00 0.00 C ATOM 1452 CD2 LEU A 96 12.345 8.246 -4.071 1.00 0.00 C ATOM 0 H LEU A 96 8.666 7.745 -5.719 1.00 0.00 H new ATOM 0 HA LEU A 96 10.081 9.380 -3.597 1.00 0.00 H new ATOM 0 HB2 LEU A 96 10.274 9.218 -6.662 1.00 0.00 H new ATOM 0 HB3 LEU A 96 11.269 10.242 -5.646 1.00 0.00 H new ATOM 0 HG LEU A 96 11.163 7.190 -5.533 1.00 0.00 H new ATOM 0 HD11 LEU A 96 13.497 7.353 -6.370 1.00 0.00 H new ATOM 0 HD12 LEU A 96 12.355 8.097 -7.514 1.00 0.00 H new ATOM 0 HD13 LEU A 96 13.343 9.124 -6.448 1.00 0.00 H new ATOM 0 HD21 LEU A 96 13.037 7.418 -3.920 1.00 0.00 H new ATOM 0 HD22 LEU A 96 12.886 9.189 -3.996 1.00 0.00 H new ATOM 0 HD23 LEU A 96 11.567 8.212 -3.308 1.00 0.00 H new ATOM 1464 N THR A 97 9.095 11.639 -4.555 1.00 0.00 N ATOM 1465 CA THR A 97 8.175 12.804 -4.720 1.00 0.00 C ATOM 1466 C THR A 97 8.662 13.719 -5.847 1.00 0.00 C ATOM 1467 O THR A 97 9.847 13.857 -6.081 1.00 0.00 O ATOM 1468 CB THR A 97 8.220 13.536 -3.378 1.00 0.00 C ATOM 1469 OG1 THR A 97 9.563 13.887 -3.078 1.00 0.00 O ATOM 1470 CG2 THR A 97 7.670 12.625 -2.279 1.00 0.00 C ATOM 0 H THR A 97 10.043 11.873 -4.260 1.00 0.00 H new ATOM 0 HA THR A 97 7.164 12.493 -4.984 1.00 0.00 H new ATOM 0 HB THR A 97 7.612 14.439 -3.435 1.00 0.00 H new ATOM 0 HG1 THR A 97 9.594 14.358 -2.219 1.00 0.00 H new ATOM 0 HG21 THR A 97 7.703 13.148 -1.323 1.00 0.00 H new ATOM 0 HG22 THR A 97 6.639 12.357 -2.511 1.00 0.00 H new ATOM 0 HG23 THR A 97 8.276 11.721 -2.219 1.00 0.00 H new ATOM 1478 N VAL A 98 7.751 14.345 -6.548 1.00 0.00 N ATOM 1479 CA VAL A 98 8.156 15.254 -7.661 1.00 0.00 C ATOM 1480 C VAL A 98 7.160 16.412 -7.795 1.00 0.00 C ATOM 1481 O VAL A 98 5.977 16.254 -7.568 1.00 0.00 O ATOM 1482 CB VAL A 98 8.135 14.382 -8.921 1.00 0.00 C ATOM 1483 CG1 VAL A 98 6.746 13.758 -9.098 1.00 0.00 C ATOM 1484 CG2 VAL A 98 8.463 15.248 -10.141 1.00 0.00 C ATOM 0 H VAL A 98 6.745 14.266 -6.397 1.00 0.00 H new ATOM 0 HA VAL A 98 9.137 15.697 -7.489 1.00 0.00 H new ATOM 0 HB VAL A 98 8.875 13.588 -8.823 1.00 0.00 H new ATOM 0 HG11 VAL A 98 6.737 13.139 -9.995 1.00 0.00 H new ATOM 0 HG12 VAL A 98 6.510 13.142 -8.230 1.00 0.00 H new ATOM 0 HG13 VAL A 98 6.002 14.548 -9.195 1.00 0.00 H new ATOM 0 HG21 VAL A 98 8.449 14.631 -11.039 1.00 0.00 H new ATOM 0 HG22 VAL A 98 7.721 16.041 -10.234 1.00 0.00 H new ATOM 0 HG23 VAL A 98 9.452 15.689 -10.019 1.00 0.00 H new ATOM 1494 N HIS A 99 7.635 17.572 -8.169 1.00 0.00 N ATOM 1495 CA HIS A 99 6.719 18.739 -8.326 1.00 0.00 C ATOM 1496 C HIS A 99 6.191 18.805 -9.763 1.00 0.00 C ATOM 1497 O HIS A 99 6.943 18.994 -10.700 1.00 0.00 O ATOM 1498 CB HIS A 99 7.580 19.963 -8.014 1.00 0.00 C ATOM 1499 CG HIS A 99 7.758 20.085 -6.526 1.00 0.00 C ATOM 1500 ND1 HIS A 99 8.370 19.097 -5.771 1.00 0.00 N ATOM 1501 CD2 HIS A 99 7.409 21.073 -5.637 1.00 0.00 C ATOM 1502 CE1 HIS A 99 8.371 19.506 -4.490 1.00 0.00 C ATOM 1503 NE2 HIS A 99 7.797 20.706 -4.353 1.00 0.00 N ATOM 0 H HIS A 99 8.617 17.761 -8.372 1.00 0.00 H new ATOM 0 HA HIS A 99 5.850 18.675 -7.671 1.00 0.00 H new ATOM 0 HB2 HIS A 99 8.551 19.871 -8.501 1.00 0.00 H new ATOM 0 HB3 HIS A 99 7.109 20.863 -8.410 1.00 0.00 H new ATOM 0 HD2 HIS A 99 6.909 21.995 -5.896 1.00 0.00 H new ATOM 0 HE1 HIS A 99 8.785 18.935 -3.672 1.00 0.00 H new ATOM 0 HE2 HIS A 99 7.671 21.238 -3.492 1.00 0.00 H new ATOM 1511 N LEU A 100 4.906 18.651 -9.944 1.00 0.00 N ATOM 1512 CA LEU A 100 4.334 18.705 -11.322 1.00 0.00 C ATOM 1513 C LEU A 100 4.309 20.151 -11.826 1.00 0.00 C ATOM 1514 O LEU A 100 3.699 21.016 -11.227 1.00 0.00 O ATOM 1515 CB LEU A 100 2.913 18.159 -11.187 1.00 0.00 C ATOM 1516 CG LEU A 100 2.394 17.741 -12.563 1.00 0.00 C ATOM 1517 CD1 LEU A 100 1.394 16.594 -12.406 1.00 0.00 C ATOM 1518 CD2 LEU A 100 1.700 18.932 -13.230 1.00 0.00 C ATOM 0 H LEU A 100 4.228 18.490 -9.199 1.00 0.00 H new ATOM 0 HA LEU A 100 4.923 18.129 -12.036 1.00 0.00 H new ATOM 0 HB2 LEU A 100 2.903 17.306 -10.508 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.260 18.918 -10.755 1.00 0.00 H new ATOM 0 HG LEU A 100 3.230 17.413 -13.181 1.00 0.00 H new ATOM 0 HD11 LEU A 100 1.024 16.297 -13.387 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.886 15.745 -11.931 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.558 16.922 -11.788 1.00 0.00 H new ATOM 0 HD21 LEU A 100 1.330 18.635 -14.211 1.00 0.00 H new ATOM 0 HD22 LEU A 100 0.865 19.260 -12.611 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.411 19.751 -13.343 1.00 0.00 H new ATOM 1530 N VAL A 101 4.964 20.417 -12.924 1.00 0.00 N ATOM 1531 CA VAL A 101 4.978 21.807 -13.469 1.00 0.00 C ATOM 1532 C VAL A 101 5.008 21.772 -15.000 1.00 0.00 C ATOM 1533 O VAL A 101 5.792 21.062 -15.599 1.00 0.00 O ATOM 1534 CB VAL A 101 6.261 22.437 -12.920 1.00 0.00 C ATOM 1535 CG1 VAL A 101 6.371 23.883 -13.407 1.00 0.00 C ATOM 1536 CG2 VAL A 101 6.223 22.419 -11.389 1.00 0.00 C ATOM 0 H VAL A 101 5.490 19.733 -13.468 1.00 0.00 H new ATOM 0 HA VAL A 101 4.092 22.373 -13.181 1.00 0.00 H new ATOM 0 HB VAL A 101 7.122 21.869 -13.271 1.00 0.00 H new ATOM 0 HG11 VAL A 101 7.285 24.330 -13.015 1.00 0.00 H new ATOM 0 HG12 VAL A 101 6.397 23.899 -14.497 1.00 0.00 H new ATOM 0 HG13 VAL A 101 5.510 24.452 -13.056 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.136 22.867 -10.997 1.00 0.00 H new ATOM 0 HG22 VAL A 101 5.361 22.987 -11.040 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.145 21.390 -11.039 1.00 0.00 H new ATOM 1546 N ILE A 102 4.158 22.534 -15.635 1.00 0.00 N ATOM 1547 CA ILE A 102 4.136 22.546 -17.129 1.00 0.00 C ATOM 1548 C ILE A 102 4.903 23.761 -17.660 1.00 0.00 C ATOM 1549 O ILE A 102 4.699 24.876 -17.221 1.00 0.00 O ATOM 1550 CB ILE A 102 2.652 22.629 -17.513 1.00 0.00 C ATOM 1551 CG1 ILE A 102 2.070 23.974 -17.061 1.00 0.00 C ATOM 1552 CG2 ILE A 102 1.881 21.490 -16.841 1.00 0.00 C ATOM 1553 CD1 ILE A 102 2.134 24.968 -18.222 1.00 0.00 C ATOM 0 H ILE A 102 3.479 23.148 -15.186 1.00 0.00 H new ATOM 0 HA ILE A 102 4.611 21.662 -17.554 1.00 0.00 H new ATOM 0 HB ILE A 102 2.560 22.542 -18.596 1.00 0.00 H new ATOM 0 HG12 ILE A 102 1.038 23.845 -16.734 1.00 0.00 H new ATOM 0 HG13 ILE A 102 2.630 24.357 -16.208 1.00 0.00 H new ATOM 0 HG21 ILE A 102 0.828 21.552 -17.116 1.00 0.00 H new ATOM 0 HG22 ILE A 102 2.286 20.533 -17.170 1.00 0.00 H new ATOM 0 HG23 ILE A 102 1.979 21.573 -15.759 1.00 0.00 H new ATOM 0 HD11 ILE A 102 1.721 25.925 -17.904 1.00 0.00 H new ATOM 0 HD12 ILE A 102 3.171 25.104 -18.528 1.00 0.00 H new ATOM 0 HD13 ILE A 102 1.555 24.584 -19.062 1.00 0.00 H new