USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=12 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 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 90 HIS : no HD1:sc= -1.55 X(o=-1.5,f=-1.3) USER MOD Set 2.1: A 62 SER OG : rot 147:sc=0.000271 USER MOD Set 2.2: A 69 THR OG1 : rot -175:sc= 0.0133 USER MOD Set 3.1: A 55 GLN : amide:sc= 0 X(o=-0.14,f=-0.26) USER MOD Set 3.2: A 58 LYS NZ :NH3+ 170:sc= -0.139 (180deg=-0.259) USER MOD Set 4.1: A 43 LYS NZ :NH3+ -164:sc= 0.0579 (180deg=0) USER MOD Set 4.2: A 97 THR OG1 : rot -149:sc= 0.0604 USER MOD Single : A 31 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00181) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 87:sc= 1.17 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 174:sc= 0.674 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -1.54 K(o=-1.5,f=-0.17!) USER MOD Single : A 52 SER OG : rot 46:sc= 0.81! USER MOD Single : A 53 SER OG : rot 180:sc= 0.00761 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) 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= 0.0623 USER MOD Single : A 68 GLN : amide:sc= -1.37 K(o=-1.4,f=-0.12) USER MOD Single : A 71 GLN : amide:sc= -0.245 K(o=-0.25,f=-0.97) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.0933 K(o=-0.093,f=-0.99) USER MOD Single : A 86 THR OG1 : rot -130:sc= -2.73 USER MOD Single : A 89 GLN : amide:sc= -0.229 K(o=-0.23,f=-0.91) USER MOD Single : A 93 HIS : no HD1:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 99 HIS : no HD1:sc= -0.267 K(o=-0.27,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 380 N LYS A 31 6.099 -5.486 -10.337 1.00 0.00 N ATOM 381 CA LYS A 31 7.053 -4.640 -9.559 1.00 0.00 C ATOM 382 C LYS A 31 6.570 -3.194 -9.620 1.00 0.00 C ATOM 383 O LYS A 31 7.340 -2.267 -9.776 1.00 0.00 O ATOM 384 CB LYS A 31 8.399 -4.794 -10.267 1.00 0.00 C ATOM 385 CG LYS A 31 9.268 -5.793 -9.499 1.00 0.00 C ATOM 386 CD LYS A 31 10.095 -6.619 -10.486 1.00 0.00 C ATOM 387 CE LYS A 31 10.983 -7.599 -9.714 1.00 0.00 C ATOM 388 NZ LYS A 31 10.120 -8.786 -9.466 1.00 0.00 N ATOM 0 HA LYS A 31 7.130 -4.927 -8.510 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.247 -5.139 -11.290 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.903 -3.829 -10.328 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.927 -5.263 -8.811 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.640 -6.449 -8.897 1.00 0.00 H new ATOM 0 HD2 LYS A 31 9.436 -7.164 -11.162 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.710 -5.962 -11.101 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.868 -7.868 -10.290 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.332 -7.162 -8.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 10.664 -9.510 -8.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 9.298 -8.504 -8.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 9.794 -9.174 -10.374 1.00 0.00 H new ATOM 402 N ILE A 32 5.279 -3.015 -9.539 1.00 0.00 N ATOM 403 CA ILE A 32 4.702 -1.649 -9.637 1.00 0.00 C ATOM 404 C ILE A 32 5.275 -0.739 -8.543 1.00 0.00 C ATOM 405 O ILE A 32 5.061 -0.960 -7.367 1.00 0.00 O ATOM 406 CB ILE A 32 3.193 -1.836 -9.447 1.00 0.00 C ATOM 407 CG1 ILE A 32 2.640 -2.703 -10.584 1.00 0.00 C ATOM 408 CG2 ILE A 32 2.494 -0.471 -9.463 1.00 0.00 C ATOM 409 CD1 ILE A 32 2.309 -4.099 -10.052 1.00 0.00 C ATOM 0 H ILE A 32 4.598 -3.763 -9.408 1.00 0.00 H new ATOM 0 HA ILE A 32 4.937 -1.176 -10.590 1.00 0.00 H new ATOM 0 HB ILE A 32 3.009 -2.324 -8.490 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.746 -2.242 -11.005 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.371 -2.774 -11.389 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.421 -0.610 -9.328 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.885 0.147 -8.655 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.678 0.021 -10.418 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.916 -4.713 -10.862 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.212 -4.560 -9.652 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.562 -4.020 -9.262 1.00 0.00 H new ATOM 421 N ILE A 33 5.997 0.284 -8.923 1.00 0.00 N ATOM 422 CA ILE A 33 6.576 1.207 -7.902 1.00 0.00 C ATOM 423 C ILE A 33 5.574 2.318 -7.568 1.00 0.00 C ATOM 424 O ILE A 33 4.591 2.507 -8.261 1.00 0.00 O ATOM 425 CB ILE A 33 7.850 1.777 -8.534 1.00 0.00 C ATOM 426 CG1 ILE A 33 7.492 2.661 -9.743 1.00 0.00 C ATOM 427 CG2 ILE A 33 8.752 0.618 -8.977 1.00 0.00 C ATOM 428 CD1 ILE A 33 8.727 2.873 -10.619 1.00 0.00 C ATOM 0 H ILE A 33 6.210 0.519 -9.892 1.00 0.00 H new ATOM 0 HA ILE A 33 6.800 0.697 -6.965 1.00 0.00 H new ATOM 0 HB ILE A 33 8.377 2.389 -7.802 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.699 2.192 -10.325 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.109 3.622 -9.400 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.661 1.016 -9.428 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.013 0.009 -8.112 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.224 0.004 -9.707 1.00 0.00 H new ATOM 0 HD11 ILE A 33 8.465 3.499 -11.472 1.00 0.00 H new ATOM 0 HD12 ILE A 33 9.507 3.362 -10.036 1.00 0.00 H new ATOM 0 HD13 ILE A 33 9.090 1.909 -10.975 1.00 0.00 H new ATOM 440 N LYS A 34 5.811 3.044 -6.509 1.00 0.00 N ATOM 441 CA LYS A 34 4.868 4.135 -6.123 1.00 0.00 C ATOM 442 C LYS A 34 5.296 5.459 -6.757 1.00 0.00 C ATOM 443 O LYS A 34 6.472 5.740 -6.899 1.00 0.00 O ATOM 444 CB LYS A 34 4.960 4.216 -4.599 1.00 0.00 C ATOM 445 CG LYS A 34 3.906 3.299 -3.974 1.00 0.00 C ATOM 446 CD LYS A 34 3.361 3.939 -2.696 1.00 0.00 C ATOM 447 CE LYS A 34 2.847 2.847 -1.756 1.00 0.00 C ATOM 448 NZ LYS A 34 2.632 3.533 -0.452 1.00 0.00 N ATOM 0 H LYS A 34 6.617 2.929 -5.894 1.00 0.00 H new ATOM 0 HA LYS A 34 3.851 3.938 -6.462 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.956 3.921 -4.268 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.805 5.243 -4.269 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.094 3.127 -4.681 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.344 2.327 -3.748 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.143 4.518 -2.205 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.556 4.633 -2.939 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.921 2.408 -2.129 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.569 2.036 -1.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.279 2.848 0.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.531 3.935 -0.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.935 4.296 -0.572 1.00 0.00 H new ATOM 462 N VAL A 35 4.351 6.273 -7.144 1.00 0.00 N ATOM 463 CA VAL A 35 4.697 7.580 -7.774 1.00 0.00 C ATOM 464 C VAL A 35 3.842 8.699 -7.173 1.00 0.00 C ATOM 465 O VAL A 35 2.643 8.738 -7.355 1.00 0.00 O ATOM 466 CB VAL A 35 4.373 7.402 -9.259 1.00 0.00 C ATOM 467 CG1 VAL A 35 4.840 8.635 -10.036 1.00 0.00 C ATOM 468 CG2 VAL A 35 5.087 6.160 -9.799 1.00 0.00 C ATOM 0 H VAL A 35 3.352 6.089 -7.051 1.00 0.00 H new ATOM 0 HA VAL A 35 5.740 7.852 -7.612 1.00 0.00 H new ATOM 0 HB VAL A 35 3.296 7.281 -9.379 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.609 8.508 -11.094 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.328 9.519 -9.657 1.00 0.00 H new ATOM 0 HG13 VAL A 35 5.916 8.757 -9.912 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.854 6.037 -10.857 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.164 6.277 -9.676 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.753 5.280 -9.249 1.00 0.00 H new ATOM 478 N THR A 36 4.449 9.613 -6.463 1.00 0.00 N ATOM 479 CA THR A 36 3.662 10.728 -5.858 1.00 0.00 C ATOM 480 C THR A 36 3.833 12.001 -6.689 1.00 0.00 C ATOM 481 O THR A 36 4.871 12.633 -6.666 1.00 0.00 O ATOM 482 CB THR A 36 4.242 10.922 -4.454 1.00 0.00 C ATOM 483 OG1 THR A 36 4.697 9.673 -3.949 1.00 0.00 O ATOM 484 CG2 THR A 36 3.161 11.483 -3.529 1.00 0.00 C ATOM 0 H THR A 36 5.451 9.636 -6.276 1.00 0.00 H new ATOM 0 HA THR A 36 2.595 10.506 -5.825 1.00 0.00 H new ATOM 0 HB THR A 36 5.078 11.619 -4.501 1.00 0.00 H new ATOM 0 HG1 THR A 36 5.618 9.516 -4.246 1.00 0.00 H new ATOM 0 HG21 THR A 36 3.573 11.621 -2.529 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.814 12.442 -3.914 1.00 0.00 H new ATOM 0 HG23 THR A 36 2.324 10.786 -3.483 1.00 0.00 H new ATOM 492 N VAL A 37 2.824 12.378 -7.428 1.00 0.00 N ATOM 493 CA VAL A 37 2.930 13.608 -8.266 1.00 0.00 C ATOM 494 C VAL A 37 2.348 14.812 -7.520 1.00 0.00 C ATOM 495 O VAL A 37 1.242 14.768 -7.015 1.00 0.00 O ATOM 496 CB VAL A 37 2.110 13.306 -9.523 1.00 0.00 C ATOM 497 CG1 VAL A 37 2.181 14.500 -10.480 1.00 0.00 C ATOM 498 CG2 VAL A 37 2.676 12.062 -10.215 1.00 0.00 C ATOM 0 H VAL A 37 1.931 11.888 -7.488 1.00 0.00 H new ATOM 0 HA VAL A 37 3.965 13.855 -8.505 1.00 0.00 H new ATOM 0 HB VAL A 37 1.072 13.126 -9.244 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.597 14.284 -11.375 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.778 15.385 -9.988 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.219 14.681 -10.759 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.093 11.846 -11.110 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.715 12.241 -10.493 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.624 11.212 -9.535 1.00 0.00 H new ATOM 508 N LYS A 38 3.087 15.887 -7.450 1.00 0.00 N ATOM 509 CA LYS A 38 2.585 17.100 -6.741 1.00 0.00 C ATOM 510 C LYS A 38 1.979 18.086 -7.745 1.00 0.00 C ATOM 511 O LYS A 38 2.630 18.511 -8.679 1.00 0.00 O ATOM 512 CB LYS A 38 3.821 17.706 -6.073 1.00 0.00 C ATOM 513 CG LYS A 38 3.395 18.526 -4.853 1.00 0.00 C ATOM 514 CD LYS A 38 4.635 19.107 -4.171 1.00 0.00 C ATOM 515 CE LYS A 38 4.265 20.409 -3.460 1.00 0.00 C ATOM 516 NZ LYS A 38 5.333 20.609 -2.440 1.00 0.00 N ATOM 0 H LYS A 38 4.019 15.978 -7.854 1.00 0.00 H new ATOM 0 HA LYS A 38 1.805 16.864 -6.018 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.508 16.915 -5.771 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.356 18.339 -6.781 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.724 19.329 -5.158 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.843 17.898 -4.154 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.038 18.391 -3.455 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.415 19.293 -4.909 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.227 21.244 -4.160 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.282 20.339 -2.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.148 21.485 -1.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.341 19.802 -1.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.256 20.680 -2.913 1.00 0.00 H new ATOM 530 N THR A 39 0.740 18.449 -7.559 1.00 0.00 N ATOM 531 CA THR A 39 0.086 19.406 -8.500 1.00 0.00 C ATOM 532 C THR A 39 -0.397 20.647 -7.737 1.00 0.00 C ATOM 533 O THR A 39 -0.398 20.659 -6.522 1.00 0.00 O ATOM 534 CB THR A 39 -1.097 18.633 -9.090 1.00 0.00 C ATOM 535 OG1 THR A 39 -1.679 17.813 -8.083 1.00 0.00 O ATOM 536 CG2 THR A 39 -0.611 17.757 -10.249 1.00 0.00 C ATOM 0 H THR A 39 0.149 18.124 -6.794 1.00 0.00 H new ATOM 0 HA THR A 39 0.765 19.759 -9.276 1.00 0.00 H new ATOM 0 HB THR A 39 -1.843 19.338 -9.458 1.00 0.00 H new ATOM 0 HG1 THR A 39 -2.496 17.398 -8.431 1.00 0.00 H new ATOM 0 HG21 THR A 39 -1.454 17.207 -10.668 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.169 18.387 -11.021 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.136 17.052 -9.884 1.00 0.00 H new ATOM 544 N PRO A 40 -0.792 21.656 -8.473 1.00 0.00 N ATOM 545 CA PRO A 40 -1.279 22.911 -7.842 1.00 0.00 C ATOM 546 C PRO A 40 -2.613 22.679 -7.123 1.00 0.00 C ATOM 547 O PRO A 40 -3.065 23.510 -6.358 1.00 0.00 O ATOM 548 CB PRO A 40 -1.447 23.865 -9.024 1.00 0.00 C ATOM 549 CG PRO A 40 -1.639 22.974 -10.206 1.00 0.00 C ATOM 550 CD PRO A 40 -0.829 21.734 -9.941 1.00 0.00 C ATOM 0 HA PRO A 40 -0.599 23.298 -7.083 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -2.303 24.524 -8.882 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.571 24.502 -9.146 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.692 22.728 -10.340 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.308 23.466 -11.121 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -1.293 20.850 -10.378 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.173 21.811 -10.364 1.00 0.00 H new ATOM 558 N LYS A 41 -3.244 21.558 -7.355 1.00 0.00 N ATOM 559 CA LYS A 41 -4.544 21.278 -6.678 1.00 0.00 C ATOM 560 C LYS A 41 -4.303 20.463 -5.403 1.00 0.00 C ATOM 561 O LYS A 41 -4.815 20.780 -4.347 1.00 0.00 O ATOM 562 CB LYS A 41 -5.357 20.467 -7.692 1.00 0.00 C ATOM 563 CG LYS A 41 -6.742 21.095 -7.859 1.00 0.00 C ATOM 564 CD LYS A 41 -7.549 20.903 -6.573 1.00 0.00 C ATOM 565 CE LYS A 41 -8.987 21.380 -6.796 1.00 0.00 C ATOM 566 NZ LYS A 41 -9.773 20.757 -5.695 1.00 0.00 N ATOM 0 H LYS A 41 -2.916 20.825 -7.984 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.063 22.190 -6.382 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.840 20.442 -8.651 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.453 19.435 -7.354 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.646 22.157 -8.086 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.262 20.635 -8.699 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.544 19.853 -6.281 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.091 21.462 -5.757 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -9.052 22.467 -6.762 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -9.359 21.069 -7.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -10.771 21.037 -5.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.698 19.722 -5.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.400 21.077 -4.778 1.00 0.00 H new ATOM 580 N GLU A 42 -3.526 19.416 -5.496 1.00 0.00 N ATOM 581 CA GLU A 42 -3.245 18.575 -4.293 1.00 0.00 C ATOM 582 C GLU A 42 -2.161 17.541 -4.615 1.00 0.00 C ATOM 583 O GLU A 42 -1.476 17.638 -5.615 1.00 0.00 O ATOM 584 CB GLU A 42 -4.570 17.876 -3.976 1.00 0.00 C ATOM 585 CG GLU A 42 -5.252 18.573 -2.795 1.00 0.00 C ATOM 586 CD GLU A 42 -5.890 17.525 -1.880 1.00 0.00 C ATOM 587 OE1 GLU A 42 -5.196 17.027 -1.009 1.00 0.00 O ATOM 588 OE2 GLU A 42 -7.060 17.238 -2.068 1.00 0.00 O ATOM 0 H GLU A 42 -3.072 19.106 -6.355 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.885 19.167 -3.452 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.222 17.898 -4.849 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.391 16.827 -3.738 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.524 19.162 -2.238 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.012 19.265 -3.158 1.00 0.00 H new ATOM 595 N LYS A 43 -2.004 16.551 -3.776 1.00 0.00 N ATOM 596 CA LYS A 43 -0.971 15.506 -4.033 1.00 0.00 C ATOM 597 C LYS A 43 -1.646 14.150 -4.264 1.00 0.00 C ATOM 598 O LYS A 43 -2.494 13.733 -3.498 1.00 0.00 O ATOM 599 CB LYS A 43 -0.117 15.474 -2.764 1.00 0.00 C ATOM 600 CG LYS A 43 1.357 15.316 -3.141 1.00 0.00 C ATOM 601 CD LYS A 43 2.232 15.624 -1.925 1.00 0.00 C ATOM 602 CE LYS A 43 3.663 15.153 -2.193 1.00 0.00 C ATOM 603 NZ LYS A 43 4.498 15.869 -1.188 1.00 0.00 N ATOM 0 H LYS A 43 -2.548 16.421 -2.923 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.373 15.720 -4.919 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.261 16.392 -2.194 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.430 14.649 -2.124 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.547 14.301 -3.491 1.00 0.00 H new ATOM 0 HG3 LYS A 43 1.607 15.988 -3.962 1.00 0.00 H new ATOM 0 HD2 LYS A 43 2.223 16.694 -1.719 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.833 15.126 -1.041 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.750 14.072 -2.081 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.974 15.395 -3.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 5.498 15.819 -1.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.202 16.865 -1.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 4.377 15.424 -0.256 1.00 0.00 H new ATOM 617 N GLU A 44 -1.282 13.460 -5.313 1.00 0.00 N ATOM 618 CA GLU A 44 -1.913 12.136 -5.590 1.00 0.00 C ATOM 619 C GLU A 44 -0.849 11.093 -5.939 1.00 0.00 C ATOM 620 O GLU A 44 0.053 11.346 -6.716 1.00 0.00 O ATOM 621 CB GLU A 44 -2.833 12.375 -6.790 1.00 0.00 C ATOM 622 CG GLU A 44 -4.294 12.364 -6.331 1.00 0.00 C ATOM 623 CD GLU A 44 -4.773 13.801 -6.116 1.00 0.00 C ATOM 624 OE1 GLU A 44 -4.265 14.444 -5.212 1.00 0.00 O ATOM 625 OE2 GLU A 44 -5.641 14.233 -6.858 1.00 0.00 O ATOM 0 H GLU A 44 -0.577 13.755 -5.988 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.455 11.757 -4.724 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.596 13.331 -7.258 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.673 11.603 -7.543 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.917 11.870 -7.077 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.391 11.795 -5.406 1.00 0.00 H new ATOM 632 N GLU A 45 -0.954 9.918 -5.377 1.00 0.00 N ATOM 633 CA GLU A 45 0.041 8.850 -5.680 1.00 0.00 C ATOM 634 C GLU A 45 -0.456 7.995 -6.849 1.00 0.00 C ATOM 635 O GLU A 45 -1.643 7.889 -7.090 1.00 0.00 O ATOM 636 CB GLU A 45 0.127 8.015 -4.401 1.00 0.00 C ATOM 637 CG GLU A 45 0.763 8.850 -3.289 1.00 0.00 C ATOM 638 CD GLU A 45 0.147 8.464 -1.943 1.00 0.00 C ATOM 639 OE1 GLU A 45 -1.060 8.581 -1.812 1.00 0.00 O ATOM 640 OE2 GLU A 45 0.893 8.058 -1.068 1.00 0.00 O ATOM 0 H GLU A 45 -1.688 9.652 -4.720 1.00 0.00 H new ATOM 0 HA GLU A 45 1.013 9.253 -5.966 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.868 7.687 -4.100 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.718 7.117 -4.579 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.840 8.686 -3.268 1.00 0.00 H new ATOM 0 HG3 GLU A 45 0.606 9.911 -3.482 1.00 0.00 H new ATOM 647 N PHE A 46 0.440 7.390 -7.580 1.00 0.00 N ATOM 648 CA PHE A 46 0.019 6.550 -8.736 1.00 0.00 C ATOM 649 C PHE A 46 0.821 5.246 -8.765 1.00 0.00 C ATOM 650 O PHE A 46 2.035 5.251 -8.706 1.00 0.00 O ATOM 651 CB PHE A 46 0.335 7.394 -9.971 1.00 0.00 C ATOM 652 CG PHE A 46 -0.918 8.089 -10.450 1.00 0.00 C ATOM 653 CD1 PHE A 46 -1.840 7.398 -11.246 1.00 0.00 C ATOM 654 CD2 PHE A 46 -1.155 9.424 -10.102 1.00 0.00 C ATOM 655 CE1 PHE A 46 -3.000 8.043 -11.692 1.00 0.00 C ATOM 656 CE2 PHE A 46 -2.315 10.068 -10.549 1.00 0.00 C ATOM 657 CZ PHE A 46 -3.238 9.377 -11.344 1.00 0.00 C ATOM 0 H PHE A 46 1.447 7.442 -7.426 1.00 0.00 H new ATOM 0 HA PHE A 46 -1.034 6.275 -8.683 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.102 8.131 -9.733 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.736 6.761 -10.763 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -1.656 6.368 -11.516 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -0.443 9.957 -9.489 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -3.712 7.510 -12.305 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -2.498 11.098 -10.281 1.00 0.00 H new ATOM 0 HZ PHE A 46 -4.133 9.874 -11.688 1.00 0.00 H new ATOM 667 N ALA A 47 0.150 4.131 -8.869 1.00 0.00 N ATOM 668 CA ALA A 47 0.871 2.827 -8.920 1.00 0.00 C ATOM 669 C ALA A 47 1.135 2.455 -10.378 1.00 0.00 C ATOM 670 O ALA A 47 0.232 2.431 -11.191 1.00 0.00 O ATOM 671 CB ALA A 47 -0.080 1.821 -8.268 1.00 0.00 C ATOM 0 H ALA A 47 -0.867 4.067 -8.921 1.00 0.00 H new ATOM 0 HA ALA A 47 1.834 2.854 -8.410 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.380 0.833 -8.267 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.285 2.127 -7.242 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.013 1.786 -8.830 1.00 0.00 H new ATOM 677 N VAL A 48 2.363 2.178 -10.723 1.00 0.00 N ATOM 678 CA VAL A 48 2.671 1.826 -12.136 1.00 0.00 C ATOM 679 C VAL A 48 3.755 0.747 -12.176 1.00 0.00 C ATOM 680 O VAL A 48 4.573 0.670 -11.284 1.00 0.00 O ATOM 681 CB VAL A 48 3.167 3.131 -12.765 1.00 0.00 C ATOM 682 CG1 VAL A 48 2.061 4.186 -12.685 1.00 0.00 C ATOM 683 CG2 VAL A 48 4.398 3.633 -12.005 1.00 0.00 C ATOM 0 H VAL A 48 3.163 2.180 -10.090 1.00 0.00 H new ATOM 0 HA VAL A 48 1.810 1.426 -12.671 1.00 0.00 H new ATOM 0 HB VAL A 48 3.431 2.952 -13.807 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.412 5.116 -13.132 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.182 3.833 -13.224 1.00 0.00 H new ATOM 0 HG13 VAL A 48 1.800 4.361 -11.641 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.749 4.562 -12.454 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.134 3.811 -10.963 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.188 2.884 -12.056 1.00 0.00 H new ATOM 693 N PRO A 49 3.725 -0.056 -13.209 1.00 0.00 N ATOM 694 CA PRO A 49 4.724 -1.143 -13.342 1.00 0.00 C ATOM 695 C PRO A 49 6.118 -0.562 -13.576 1.00 0.00 C ATOM 696 O PRO A 49 6.340 0.196 -14.499 1.00 0.00 O ATOM 697 CB PRO A 49 4.235 -1.938 -14.550 1.00 0.00 C ATOM 698 CG PRO A 49 3.411 -0.972 -15.336 1.00 0.00 C ATOM 699 CD PRO A 49 2.787 -0.030 -14.339 1.00 0.00 C ATOM 0 HA PRO A 49 4.810 -1.762 -12.449 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.071 -2.316 -15.139 1.00 0.00 H new ATOM 0 HB3 PRO A 49 3.646 -2.802 -14.243 1.00 0.00 H new ATOM 0 HG2 PRO A 49 4.028 -0.427 -16.050 1.00 0.00 H new ATOM 0 HG3 PRO A 49 2.644 -1.493 -15.909 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.680 0.974 -14.749 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.792 -0.361 -14.042 1.00 0.00 H new ATOM 707 N GLU A 50 7.048 -0.909 -12.721 1.00 0.00 N ATOM 708 CA GLU A 50 8.455 -0.396 -12.833 1.00 0.00 C ATOM 709 C GLU A 50 8.858 -0.126 -14.292 1.00 0.00 C ATOM 710 O GLU A 50 9.524 0.847 -14.587 1.00 0.00 O ATOM 711 CB GLU A 50 9.323 -1.508 -12.229 1.00 0.00 C ATOM 712 CG GLU A 50 9.240 -2.770 -13.096 1.00 0.00 C ATOM 713 CD GLU A 50 10.111 -3.875 -12.491 1.00 0.00 C ATOM 714 OE1 GLU A 50 10.859 -3.582 -11.572 1.00 0.00 O ATOM 715 OE2 GLU A 50 10.016 -4.997 -12.960 1.00 0.00 O ATOM 0 H GLU A 50 6.891 -1.538 -11.934 1.00 0.00 H new ATOM 0 HA GLU A 50 8.572 0.558 -12.318 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.358 -1.174 -12.157 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.989 -1.731 -11.216 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.206 -3.107 -13.165 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.572 -2.548 -14.110 1.00 0.00 H new ATOM 722 N ASN A 51 8.464 -0.975 -15.202 1.00 0.00 N ATOM 723 CA ASN A 51 8.833 -0.755 -16.632 1.00 0.00 C ATOM 724 C ASN A 51 7.748 0.061 -17.344 1.00 0.00 C ATOM 725 O ASN A 51 7.288 -0.299 -18.411 1.00 0.00 O ATOM 726 CB ASN A 51 8.947 -2.155 -17.240 1.00 0.00 C ATOM 727 CG ASN A 51 7.605 -2.882 -17.124 1.00 0.00 C ATOM 728 OD1 ASN A 51 6.719 -2.679 -17.930 1.00 0.00 O ATOM 729 ND2 ASN A 51 7.416 -3.726 -16.147 1.00 0.00 N ATOM 0 H ASN A 51 7.905 -1.808 -15.020 1.00 0.00 H new ATOM 0 HA ASN A 51 9.763 -0.195 -16.733 1.00 0.00 H new ATOM 0 HB2 ASN A 51 9.243 -2.084 -18.287 1.00 0.00 H new ATOM 0 HB3 ASN A 51 9.724 -2.722 -16.727 1.00 0.00 H new ATOM 0 HD21 ASN A 51 6.525 -4.215 -16.060 1.00 0.00 H new ATOM 0 HD22 ASN A 51 8.159 -3.897 -15.470 1.00 0.00 H new ATOM 736 N SER A 52 7.340 1.159 -16.764 1.00 0.00 N ATOM 737 CA SER A 52 6.289 2.002 -17.406 1.00 0.00 C ATOM 738 C SER A 52 6.894 3.331 -17.872 1.00 0.00 C ATOM 739 O SER A 52 7.274 4.163 -17.072 1.00 0.00 O ATOM 740 CB SER A 52 5.251 2.244 -16.312 1.00 0.00 C ATOM 741 OG SER A 52 5.799 3.109 -15.327 1.00 0.00 O ATOM 0 H SER A 52 7.690 1.509 -15.872 1.00 0.00 H new ATOM 0 HA SER A 52 5.853 1.523 -18.282 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.351 2.686 -16.740 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.957 1.298 -15.858 1.00 0.00 H new ATOM 0 HG SER A 52 6.252 3.859 -15.766 1.00 0.00 H new ATOM 747 N SER A 53 6.985 3.533 -19.159 1.00 0.00 N ATOM 748 CA SER A 53 7.565 4.806 -19.677 1.00 0.00 C ATOM 749 C SER A 53 6.745 6.002 -19.186 1.00 0.00 C ATOM 750 O SER A 53 5.539 5.927 -19.054 1.00 0.00 O ATOM 751 CB SER A 53 7.484 4.692 -21.199 1.00 0.00 C ATOM 752 OG SER A 53 8.045 3.451 -21.607 1.00 0.00 O ATOM 0 H SER A 53 6.683 2.872 -19.874 1.00 0.00 H new ATOM 0 HA SER A 53 8.588 4.960 -19.334 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.446 4.760 -21.526 1.00 0.00 H new ATOM 0 HB3 SER A 53 8.020 5.518 -21.666 1.00 0.00 H new ATOM 0 HG SER A 53 7.993 3.374 -22.583 1.00 0.00 H new ATOM 758 N VAL A 54 7.392 7.103 -18.912 1.00 0.00 N ATOM 759 CA VAL A 54 6.653 8.304 -18.428 1.00 0.00 C ATOM 760 C VAL A 54 5.631 8.764 -19.466 1.00 0.00 C ATOM 761 O VAL A 54 4.593 9.264 -19.117 1.00 0.00 O ATOM 762 CB VAL A 54 7.706 9.384 -18.191 1.00 0.00 C ATOM 763 CG1 VAL A 54 7.017 10.667 -17.701 1.00 0.00 C ATOM 764 CG2 VAL A 54 8.696 8.897 -17.129 1.00 0.00 C ATOM 0 H VAL A 54 8.401 7.222 -19.003 1.00 0.00 H new ATOM 0 HA VAL A 54 6.098 8.086 -17.516 1.00 0.00 H new ATOM 0 HB VAL A 54 8.238 9.590 -19.119 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.766 11.440 -17.531 1.00 0.00 H new ATOM 0 HG12 VAL A 54 6.307 11.009 -18.454 1.00 0.00 H new ATOM 0 HG13 VAL A 54 6.488 10.463 -16.770 1.00 0.00 H new ATOM 0 HG21 VAL A 54 9.450 9.664 -16.956 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.163 8.696 -16.200 1.00 0.00 H new ATOM 0 HG23 VAL A 54 9.180 7.984 -17.475 1.00 0.00 H new ATOM 774 N GLN A 55 5.920 8.625 -20.732 1.00 0.00 N ATOM 775 CA GLN A 55 4.945 9.087 -21.776 1.00 0.00 C ATOM 776 C GLN A 55 3.532 8.559 -21.473 1.00 0.00 C ATOM 777 O GLN A 55 2.573 9.309 -21.450 1.00 0.00 O ATOM 778 CB GLN A 55 5.467 8.500 -23.090 1.00 0.00 C ATOM 779 CG GLN A 55 6.070 9.614 -23.951 1.00 0.00 C ATOM 780 CD GLN A 55 5.094 9.984 -25.072 1.00 0.00 C ATOM 781 OE1 GLN A 55 5.351 9.717 -26.229 1.00 0.00 O ATOM 782 NE2 GLN A 55 3.979 10.593 -24.775 1.00 0.00 N ATOM 0 H GLN A 55 6.782 8.215 -21.092 1.00 0.00 H new ATOM 0 HA GLN A 55 4.869 10.174 -21.812 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.219 7.738 -22.885 1.00 0.00 H new ATOM 0 HB3 GLN A 55 4.655 8.010 -23.628 1.00 0.00 H new ATOM 0 HG2 GLN A 55 6.281 10.489 -23.336 1.00 0.00 H new ATOM 0 HG3 GLN A 55 7.019 9.286 -24.375 1.00 0.00 H new ATOM 0 HE21 GLN A 55 3.763 10.817 -23.804 1.00 0.00 H new ATOM 0 HE22 GLN A 55 3.323 10.845 -25.514 1.00 0.00 H new ATOM 791 N GLN A 56 3.397 7.281 -21.231 1.00 0.00 N ATOM 792 CA GLN A 56 2.045 6.720 -20.921 1.00 0.00 C ATOM 793 C GLN A 56 1.537 7.280 -19.588 1.00 0.00 C ATOM 794 O GLN A 56 0.434 7.779 -19.492 1.00 0.00 O ATOM 795 CB GLN A 56 2.255 5.208 -20.821 1.00 0.00 C ATOM 796 CG GLN A 56 2.517 4.634 -22.215 1.00 0.00 C ATOM 797 CD GLN A 56 2.081 3.168 -22.254 1.00 0.00 C ATOM 798 OE1 GLN A 56 1.324 2.771 -23.117 1.00 0.00 O ATOM 799 NE2 GLN A 56 2.527 2.344 -21.347 1.00 0.00 N ATOM 0 H GLN A 56 4.159 6.603 -21.234 1.00 0.00 H new ATOM 0 HA GLN A 56 1.306 6.978 -21.679 1.00 0.00 H new ATOM 0 HB2 GLN A 56 3.096 4.990 -20.163 1.00 0.00 H new ATOM 0 HB3 GLN A 56 1.376 4.737 -20.382 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.971 5.207 -22.964 1.00 0.00 H new ATOM 0 HG3 GLN A 56 3.576 4.716 -22.461 1.00 0.00 H new ATOM 0 HE21 GLN A 56 3.163 2.678 -20.623 1.00 0.00 H new ATOM 0 HE22 GLN A 56 2.240 1.365 -21.362 1.00 0.00 H new ATOM 808 N PHE A 57 2.344 7.204 -18.564 1.00 0.00 N ATOM 809 CA PHE A 57 1.929 7.734 -17.230 1.00 0.00 C ATOM 810 C PHE A 57 1.620 9.232 -17.334 1.00 0.00 C ATOM 811 O PHE A 57 0.726 9.741 -16.688 1.00 0.00 O ATOM 812 CB PHE A 57 3.136 7.492 -16.317 1.00 0.00 C ATOM 813 CG PHE A 57 2.857 8.046 -14.940 1.00 0.00 C ATOM 814 CD1 PHE A 57 1.698 7.667 -14.252 1.00 0.00 C ATOM 815 CD2 PHE A 57 3.760 8.939 -14.350 1.00 0.00 C ATOM 816 CE1 PHE A 57 1.441 8.182 -12.976 1.00 0.00 C ATOM 817 CE2 PHE A 57 3.504 9.453 -13.075 1.00 0.00 C ATOM 818 CZ PHE A 57 2.344 9.075 -12.386 1.00 0.00 C ATOM 0 H PHE A 57 3.278 6.796 -18.593 1.00 0.00 H new ATOM 0 HA PHE A 57 1.029 7.250 -16.850 1.00 0.00 H new ATOM 0 HB2 PHE A 57 3.347 6.424 -16.253 1.00 0.00 H new ATOM 0 HB3 PHE A 57 4.022 7.967 -16.737 1.00 0.00 H new ATOM 0 HD1 PHE A 57 1.002 6.977 -14.706 1.00 0.00 H new ATOM 0 HD2 PHE A 57 4.655 9.231 -14.880 1.00 0.00 H new ATOM 0 HE1 PHE A 57 0.546 7.891 -12.446 1.00 0.00 H new ATOM 0 HE2 PHE A 57 4.201 10.142 -12.621 1.00 0.00 H new ATOM 0 HZ PHE A 57 2.147 9.472 -11.401 1.00 0.00 H new ATOM 828 N LYS A 58 2.366 9.933 -18.142 1.00 0.00 N ATOM 829 CA LYS A 58 2.144 11.400 -18.302 1.00 0.00 C ATOM 830 C LYS A 58 0.707 11.658 -18.757 1.00 0.00 C ATOM 831 O LYS A 58 0.069 12.602 -18.333 1.00 0.00 O ATOM 832 CB LYS A 58 3.131 11.841 -19.390 1.00 0.00 C ATOM 833 CG LYS A 58 4.266 12.652 -18.760 1.00 0.00 C ATOM 834 CD LYS A 58 4.921 13.529 -19.831 1.00 0.00 C ATOM 835 CE LYS A 58 5.586 12.642 -20.888 1.00 0.00 C ATOM 836 NZ LYS A 58 4.721 12.766 -22.095 1.00 0.00 N ATOM 0 H LYS A 58 3.127 9.550 -18.704 1.00 0.00 H new ATOM 0 HA LYS A 58 2.297 11.945 -17.371 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.536 10.968 -19.902 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.616 12.441 -20.140 1.00 0.00 H new ATOM 0 HG2 LYS A 58 3.879 13.273 -17.953 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.005 11.983 -18.320 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.173 14.169 -20.298 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.662 14.185 -19.374 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.604 12.972 -21.096 1.00 0.00 H new ATOM 0 HE3 LYS A 58 5.649 11.607 -20.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.196 12.327 -22.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.815 12.286 -21.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 4.548 13.772 -22.296 1.00 0.00 H new ATOM 850 N GLU A 59 0.194 10.819 -19.617 1.00 0.00 N ATOM 851 CA GLU A 59 -1.204 11.005 -20.102 1.00 0.00 C ATOM 852 C GLU A 59 -2.200 10.429 -19.087 1.00 0.00 C ATOM 853 O GLU A 59 -3.364 10.780 -19.082 1.00 0.00 O ATOM 854 CB GLU A 59 -1.275 10.231 -21.419 1.00 0.00 C ATOM 855 CG GLU A 59 -2.589 10.558 -22.133 1.00 0.00 C ATOM 856 CD GLU A 59 -2.372 11.730 -23.092 1.00 0.00 C ATOM 857 OE1 GLU A 59 -1.570 11.586 -24.001 1.00 0.00 O ATOM 858 OE2 GLU A 59 -3.011 12.751 -22.902 1.00 0.00 O ATOM 0 H GLU A 59 0.683 10.012 -20.005 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.457 12.057 -20.233 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -0.429 10.494 -22.054 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -1.209 9.160 -21.228 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -2.943 9.686 -22.682 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -3.359 10.809 -21.403 1.00 0.00 H new ATOM 865 N ALA A 60 -1.752 9.549 -18.229 1.00 0.00 N ATOM 866 CA ALA A 60 -2.674 8.956 -17.216 1.00 0.00 C ATOM 867 C ALA A 60 -3.111 10.027 -16.216 1.00 0.00 C ATOM 868 O ALA A 60 -4.259 10.098 -15.825 1.00 0.00 O ATOM 869 CB ALA A 60 -1.857 7.869 -16.518 1.00 0.00 C ATOM 0 H ALA A 60 -0.789 9.216 -18.186 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.580 8.552 -17.668 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.469 7.386 -15.757 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.537 7.128 -17.250 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.981 8.317 -16.048 1.00 0.00 H new ATOM 875 N ILE A 61 -2.196 10.860 -15.801 1.00 0.00 N ATOM 876 CA ILE A 61 -2.541 11.934 -14.826 1.00 0.00 C ATOM 877 C ILE A 61 -3.606 12.864 -15.420 1.00 0.00 C ATOM 878 O ILE A 61 -4.410 13.438 -14.713 1.00 0.00 O ATOM 879 CB ILE A 61 -1.215 12.673 -14.583 1.00 0.00 C ATOM 880 CG1 ILE A 61 -1.154 13.150 -13.129 1.00 0.00 C ATOM 881 CG2 ILE A 61 -1.089 13.878 -15.522 1.00 0.00 C ATOM 882 CD1 ILE A 61 0.202 12.775 -12.531 1.00 0.00 C ATOM 0 H ILE A 61 -1.220 10.843 -16.097 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.961 11.548 -13.897 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.392 11.987 -14.782 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.299 14.229 -13.082 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.958 12.695 -12.551 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.144 14.388 -15.335 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.119 13.537 -16.557 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.915 14.567 -15.343 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.249 13.113 -11.496 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.328 11.693 -12.565 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.997 13.251 -13.105 1.00 0.00 H new ATOM 894 N SER A 62 -3.610 13.014 -16.717 1.00 0.00 N ATOM 895 CA SER A 62 -4.614 13.903 -17.371 1.00 0.00 C ATOM 896 C SER A 62 -6.035 13.409 -17.085 1.00 0.00 C ATOM 897 O SER A 62 -6.921 14.184 -16.786 1.00 0.00 O ATOM 898 CB SER A 62 -4.311 13.816 -18.866 1.00 0.00 C ATOM 899 OG SER A 62 -4.511 15.092 -19.460 1.00 0.00 O ATOM 0 H SER A 62 -2.958 12.557 -17.355 1.00 0.00 H new ATOM 0 HA SER A 62 -4.555 14.926 -17.000 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.284 13.486 -19.022 1.00 0.00 H new ATOM 0 HB3 SER A 62 -4.958 13.077 -19.338 1.00 0.00 H new ATOM 0 HG SER A 62 -3.873 15.215 -20.194 1.00 0.00 H new ATOM 905 N LYS A 63 -6.260 12.128 -17.185 1.00 0.00 N ATOM 906 CA LYS A 63 -7.630 11.583 -16.929 1.00 0.00 C ATOM 907 C LYS A 63 -8.134 11.993 -15.539 1.00 0.00 C ATOM 908 O LYS A 63 -9.232 12.494 -15.394 1.00 0.00 O ATOM 909 CB LYS A 63 -7.473 10.064 -17.014 1.00 0.00 C ATOM 910 CG LYS A 63 -8.689 9.464 -17.723 1.00 0.00 C ATOM 911 CD LYS A 63 -9.810 9.234 -16.709 1.00 0.00 C ATOM 912 CE LYS A 63 -11.090 8.827 -17.442 1.00 0.00 C ATOM 913 NZ LYS A 63 -11.896 10.077 -17.533 1.00 0.00 N ATOM 0 H LYS A 63 -5.557 11.432 -17.433 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.357 11.965 -17.645 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.562 9.812 -17.556 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.377 9.641 -16.014 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -9.030 10.134 -18.512 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.417 8.522 -18.200 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -9.521 8.456 -16.002 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -9.983 10.142 -16.131 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -10.868 8.427 -18.432 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -11.627 8.050 -16.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -12.791 9.878 -18.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -12.098 10.430 -16.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -11.363 10.796 -18.062 1.00 0.00 H new ATOM 927 N ARG A 64 -7.349 11.773 -14.516 1.00 0.00 N ATOM 928 CA ARG A 64 -7.797 12.140 -13.137 1.00 0.00 C ATOM 929 C ARG A 64 -7.819 13.662 -12.952 1.00 0.00 C ATOM 930 O ARG A 64 -8.812 14.230 -12.541 1.00 0.00 O ATOM 931 CB ARG A 64 -6.765 11.507 -12.204 1.00 0.00 C ATOM 932 CG ARG A 64 -6.899 9.983 -12.252 1.00 0.00 C ATOM 933 CD ARG A 64 -8.237 9.566 -11.636 1.00 0.00 C ATOM 934 NE ARG A 64 -9.123 9.278 -12.798 1.00 0.00 N ATOM 935 CZ ARG A 64 -10.417 9.226 -12.633 1.00 0.00 C ATOM 936 NH1 ARG A 64 -10.923 8.551 -11.637 1.00 0.00 N ATOM 937 NH2 ARG A 64 -11.206 9.850 -13.466 1.00 0.00 N ATOM 0 H ARG A 64 -6.420 11.356 -14.574 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.809 11.789 -12.936 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -5.759 11.804 -12.502 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.914 11.864 -11.185 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.837 9.635 -13.283 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -6.076 9.518 -11.709 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.122 8.688 -11.000 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.649 10.360 -11.013 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.719 9.122 -13.722 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -10.307 8.063 -10.986 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -11.934 8.511 -11.509 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -10.811 10.377 -14.245 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -12.217 9.810 -13.338 1.00 0.00 H new ATOM 951 N PHE A 65 -6.734 14.324 -13.250 1.00 0.00 N ATOM 952 CA PHE A 65 -6.695 15.809 -13.086 1.00 0.00 C ATOM 953 C PHE A 65 -7.667 16.477 -14.062 1.00 0.00 C ATOM 954 O PHE A 65 -8.294 17.468 -13.745 1.00 0.00 O ATOM 955 CB PHE A 65 -5.252 16.210 -13.396 1.00 0.00 C ATOM 956 CG PHE A 65 -4.422 16.093 -12.140 1.00 0.00 C ATOM 957 CD1 PHE A 65 -4.660 16.952 -11.061 1.00 0.00 C ATOM 958 CD2 PHE A 65 -3.416 15.124 -12.055 1.00 0.00 C ATOM 959 CE1 PHE A 65 -3.893 16.842 -9.896 1.00 0.00 C ATOM 960 CE2 PHE A 65 -2.647 15.014 -10.888 1.00 0.00 C ATOM 961 CZ PHE A 65 -2.886 15.873 -9.809 1.00 0.00 C ATOM 0 H PHE A 65 -5.873 13.903 -13.600 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.993 16.120 -12.085 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -4.844 15.568 -14.177 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -5.219 17.232 -13.774 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.436 17.700 -11.128 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -3.232 14.461 -12.888 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.078 17.505 -9.064 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.870 14.267 -10.822 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.294 15.788 -8.910 1.00 0.00 H new ATOM 971 N LYS A 66 -7.790 15.939 -15.248 1.00 0.00 N ATOM 972 CA LYS A 66 -8.716 16.526 -16.268 1.00 0.00 C ATOM 973 C LYS A 66 -8.187 17.881 -16.747 1.00 0.00 C ATOM 974 O LYS A 66 -8.858 18.891 -16.651 1.00 0.00 O ATOM 975 CB LYS A 66 -10.067 16.688 -15.563 1.00 0.00 C ATOM 976 CG LYS A 66 -11.199 16.496 -16.574 1.00 0.00 C ATOM 977 CD LYS A 66 -12.418 15.896 -15.869 1.00 0.00 C ATOM 978 CE LYS A 66 -13.422 15.402 -16.914 1.00 0.00 C ATOM 979 NZ LYS A 66 -14.739 15.422 -16.218 1.00 0.00 N ATOM 0 H LYS A 66 -7.284 15.109 -15.558 1.00 0.00 H new ATOM 0 HA LYS A 66 -8.803 15.890 -17.149 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -10.158 15.960 -14.757 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.135 17.676 -15.108 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -11.462 17.452 -17.027 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -10.873 15.840 -17.381 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -12.110 15.071 -15.227 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -12.884 16.643 -15.227 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -13.429 16.048 -17.792 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -13.172 14.399 -17.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -15.481 15.096 -16.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -14.704 14.793 -15.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -14.953 16.391 -15.907 1.00 0.00 H new ATOM 993 N SER A 67 -6.991 17.906 -17.270 1.00 0.00 N ATOM 994 CA SER A 67 -6.411 19.186 -17.766 1.00 0.00 C ATOM 995 C SER A 67 -5.693 18.950 -19.098 1.00 0.00 C ATOM 996 O SER A 67 -6.013 18.031 -19.828 1.00 0.00 O ATOM 997 CB SER A 67 -5.418 19.617 -16.687 1.00 0.00 C ATOM 998 OG SER A 67 -5.191 21.017 -16.789 1.00 0.00 O ATOM 0 H SER A 67 -6.388 17.090 -17.375 1.00 0.00 H new ATOM 0 HA SER A 67 -7.171 19.948 -17.942 1.00 0.00 H new ATOM 0 HB2 SER A 67 -5.808 19.371 -15.699 1.00 0.00 H new ATOM 0 HB3 SER A 67 -4.479 19.075 -16.803 1.00 0.00 H new ATOM 0 HG SER A 67 -4.556 21.297 -16.097 1.00 0.00 H new ATOM 1004 N GLN A 68 -4.726 19.765 -19.420 1.00 0.00 N ATOM 1005 CA GLN A 68 -3.989 19.577 -20.705 1.00 0.00 C ATOM 1006 C GLN A 68 -2.667 18.850 -20.455 1.00 0.00 C ATOM 1007 O GLN A 68 -2.160 18.824 -19.351 1.00 0.00 O ATOM 1008 CB GLN A 68 -3.725 20.990 -21.237 1.00 0.00 C ATOM 1009 CG GLN A 68 -2.910 21.789 -20.213 1.00 0.00 C ATOM 1010 CD GLN A 68 -1.740 22.482 -20.915 1.00 0.00 C ATOM 1011 OE1 GLN A 68 -1.705 23.692 -21.010 1.00 0.00 O ATOM 1012 NE2 GLN A 68 -0.776 21.759 -21.416 1.00 0.00 N ATOM 0 H GLN A 68 -4.414 20.552 -18.851 1.00 0.00 H new ATOM 0 HA GLN A 68 -4.558 18.977 -21.415 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -3.186 20.937 -22.183 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -4.670 21.495 -21.437 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -3.545 22.529 -19.726 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -2.537 21.126 -19.433 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -0.806 20.743 -21.336 1.00 0.00 H new ATOM 0 HE22 GLN A 68 0.008 22.210 -21.888 1.00 0.00 H new ATOM 1021 N THR A 69 -2.100 18.275 -21.478 1.00 0.00 N ATOM 1022 CA THR A 69 -0.801 17.564 -21.311 1.00 0.00 C ATOM 1023 C THR A 69 0.284 18.319 -22.075 1.00 0.00 C ATOM 1024 O THR A 69 1.177 18.897 -21.488 1.00 0.00 O ATOM 1025 CB THR A 69 -1.011 16.167 -21.908 1.00 0.00 C ATOM 1026 OG1 THR A 69 -2.400 15.870 -21.964 1.00 0.00 O ATOM 1027 CG2 THR A 69 -0.302 15.128 -21.036 1.00 0.00 C ATOM 0 H THR A 69 -2.480 18.266 -22.424 1.00 0.00 H new ATOM 0 HA THR A 69 -0.491 17.501 -20.268 1.00 0.00 H new ATOM 0 HB THR A 69 -0.598 16.142 -22.916 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.525 14.950 -22.277 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.451 14.135 -21.460 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.764 15.351 -20.999 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.714 15.158 -20.027 1.00 0.00 H new ATOM 1035 N ASP A 70 0.200 18.324 -23.383 1.00 0.00 N ATOM 1036 CA ASP A 70 1.209 19.045 -24.221 1.00 0.00 C ATOM 1037 C ASP A 70 2.629 18.855 -23.660 1.00 0.00 C ATOM 1038 O ASP A 70 3.298 17.888 -23.969 1.00 0.00 O ATOM 1039 CB ASP A 70 0.780 20.516 -24.174 1.00 0.00 C ATOM 1040 CG ASP A 70 1.790 21.373 -24.941 1.00 0.00 C ATOM 1041 OD1 ASP A 70 2.061 21.053 -26.087 1.00 0.00 O ATOM 1042 OD2 ASP A 70 2.277 22.335 -24.370 1.00 0.00 O ATOM 0 H ASP A 70 -0.534 17.853 -23.912 1.00 0.00 H new ATOM 0 HA ASP A 70 1.242 18.666 -25.242 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -0.213 20.629 -24.610 1.00 0.00 H new ATOM 0 HB3 ASP A 70 0.714 20.853 -23.139 1.00 0.00 H new ATOM 1047 N GLN A 71 3.091 19.763 -22.838 1.00 0.00 N ATOM 1048 CA GLN A 71 4.462 19.617 -22.267 1.00 0.00 C ATOM 1049 C GLN A 71 4.444 18.613 -21.110 1.00 0.00 C ATOM 1050 O GLN A 71 5.246 17.701 -21.062 1.00 0.00 O ATOM 1051 CB GLN A 71 4.837 21.014 -21.765 1.00 0.00 C ATOM 1052 CG GLN A 71 5.967 21.581 -22.628 1.00 0.00 C ATOM 1053 CD GLN A 71 5.380 22.197 -23.900 1.00 0.00 C ATOM 1054 OE1 GLN A 71 4.715 23.213 -23.846 1.00 0.00 O ATOM 1055 NE2 GLN A 71 5.597 21.621 -25.051 1.00 0.00 N ATOM 0 H GLN A 71 2.581 20.594 -22.540 1.00 0.00 H new ATOM 0 HA GLN A 71 5.179 19.246 -22.999 1.00 0.00 H new ATOM 0 HB2 GLN A 71 3.969 21.672 -21.806 1.00 0.00 H new ATOM 0 HB3 GLN A 71 5.151 20.965 -20.722 1.00 0.00 H new ATOM 0 HG2 GLN A 71 6.522 22.335 -22.069 1.00 0.00 H new ATOM 0 HG3 GLN A 71 6.673 20.791 -22.886 1.00 0.00 H new ATOM 0 HE21 GLN A 71 6.155 20.768 -25.097 1.00 0.00 H new ATOM 0 HE22 GLN A 71 5.209 22.024 -25.904 1.00 0.00 H new ATOM 1064 N LEU A 72 3.525 18.772 -20.188 1.00 0.00 N ATOM 1065 CA LEU A 72 3.424 17.832 -19.022 1.00 0.00 C ATOM 1066 C LEU A 72 4.811 17.370 -18.551 1.00 0.00 C ATOM 1067 O LEU A 72 5.328 16.371 -19.011 1.00 0.00 O ATOM 1068 CB LEU A 72 2.618 16.643 -19.550 1.00 0.00 C ATOM 1069 CG LEU A 72 1.643 16.148 -18.475 1.00 0.00 C ATOM 1070 CD1 LEU A 72 2.421 15.730 -17.225 1.00 0.00 C ATOM 1071 CD2 LEU A 72 0.654 17.264 -18.115 1.00 0.00 C ATOM 0 H LEU A 72 2.832 19.521 -20.192 1.00 0.00 H new ATOM 0 HA LEU A 72 2.955 18.309 -18.161 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.068 16.935 -20.444 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.292 15.837 -19.840 1.00 0.00 H new ATOM 0 HG LEU A 72 1.092 15.291 -18.861 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.725 15.379 -16.463 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.115 14.929 -17.479 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.978 16.584 -16.841 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.036 16.906 -17.351 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.201 18.126 -17.735 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.093 17.554 -19.004 1.00 0.00 H new ATOM 1083 N VAL A 73 5.415 18.086 -17.639 1.00 0.00 N ATOM 1084 CA VAL A 73 6.765 17.677 -17.150 1.00 0.00 C ATOM 1085 C VAL A 73 6.848 17.797 -15.626 1.00 0.00 C ATOM 1086 O VAL A 73 6.236 18.661 -15.027 1.00 0.00 O ATOM 1087 CB VAL A 73 7.748 18.635 -17.837 1.00 0.00 C ATOM 1088 CG1 VAL A 73 7.727 20.007 -17.152 1.00 0.00 C ATOM 1089 CG2 VAL A 73 9.162 18.052 -17.759 1.00 0.00 C ATOM 0 H VAL A 73 5.035 18.931 -17.214 1.00 0.00 H new ATOM 0 HA VAL A 73 6.988 16.636 -17.385 1.00 0.00 H new ATOM 0 HB VAL A 73 7.451 18.756 -18.879 1.00 0.00 H new ATOM 0 HG11 VAL A 73 8.430 20.674 -17.652 1.00 0.00 H new ATOM 0 HG12 VAL A 73 6.723 20.428 -17.211 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.013 19.896 -16.106 1.00 0.00 H new ATOM 0 HG21 VAL A 73 9.863 18.730 -18.246 1.00 0.00 H new ATOM 0 HG22 VAL A 73 9.446 17.926 -16.714 1.00 0.00 H new ATOM 0 HG23 VAL A 73 9.185 17.085 -18.261 1.00 0.00 H new ATOM 1099 N LEU A 74 7.603 16.938 -14.996 1.00 0.00 N ATOM 1100 CA LEU A 74 7.728 17.006 -13.514 1.00 0.00 C ATOM 1101 C LEU A 74 9.179 17.301 -13.128 1.00 0.00 C ATOM 1102 O LEU A 74 10.105 16.826 -13.755 1.00 0.00 O ATOM 1103 CB LEU A 74 7.301 15.628 -13.018 1.00 0.00 C ATOM 1104 CG LEU A 74 5.776 15.540 -13.000 1.00 0.00 C ATOM 1105 CD1 LEU A 74 5.261 15.390 -14.433 1.00 0.00 C ATOM 1106 CD2 LEU A 74 5.348 14.325 -12.174 1.00 0.00 C ATOM 0 H LEU A 74 8.137 16.194 -15.444 1.00 0.00 H new ATOM 0 HA LEU A 74 7.117 17.796 -13.077 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.712 14.854 -13.666 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.697 15.451 -12.018 1.00 0.00 H new ATOM 0 HG LEU A 74 5.361 16.445 -12.557 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.173 15.327 -14.424 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.569 16.253 -15.023 1.00 0.00 H new ATOM 0 HD13 LEU A 74 5.673 14.483 -14.875 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.260 14.260 -12.159 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.760 13.419 -12.619 1.00 0.00 H new ATOM 0 HD23 LEU A 74 5.719 14.429 -11.154 1.00 0.00 H new ATOM 1118 N ILE A 75 9.384 18.091 -12.110 1.00 0.00 N ATOM 1119 CA ILE A 75 10.776 18.426 -11.694 1.00 0.00 C ATOM 1120 C ILE A 75 11.269 17.459 -10.617 1.00 0.00 C ATOM 1121 O ILE A 75 10.949 17.594 -9.451 1.00 0.00 O ATOM 1122 CB ILE A 75 10.690 19.848 -11.137 1.00 0.00 C ATOM 1123 CG1 ILE A 75 10.124 20.788 -12.208 1.00 0.00 C ATOM 1124 CG2 ILE A 75 12.088 20.322 -10.727 1.00 0.00 C ATOM 1125 CD1 ILE A 75 11.009 20.746 -13.457 1.00 0.00 C ATOM 0 H ILE A 75 8.648 18.519 -11.548 1.00 0.00 H new ATOM 0 HA ILE A 75 11.478 18.350 -12.524 1.00 0.00 H new ATOM 0 HB ILE A 75 10.034 19.856 -10.267 1.00 0.00 H new ATOM 0 HG12 ILE A 75 9.106 20.493 -12.463 1.00 0.00 H new ATOM 0 HG13 ILE A 75 10.073 21.806 -11.821 1.00 0.00 H new ATOM 0 HG21 ILE A 75 12.027 21.335 -10.330 1.00 0.00 H new ATOM 0 HG22 ILE A 75 12.488 19.656 -9.962 1.00 0.00 H new ATOM 0 HG23 ILE A 75 12.745 20.312 -11.597 1.00 0.00 H new ATOM 0 HD11 ILE A 75 10.602 21.416 -14.214 1.00 0.00 H new ATOM 0 HD12 ILE A 75 12.019 21.063 -13.198 1.00 0.00 H new ATOM 0 HD13 ILE A 75 11.037 19.729 -13.849 1.00 0.00 H new ATOM 1137 N PHE A 76 12.058 16.490 -11.001 1.00 0.00 N ATOM 1138 CA PHE A 76 12.591 15.521 -10.000 1.00 0.00 C ATOM 1139 C PHE A 76 13.691 16.192 -9.174 1.00 0.00 C ATOM 1140 O PHE A 76 14.866 15.983 -9.404 1.00 0.00 O ATOM 1141 CB PHE A 76 13.172 14.368 -10.821 1.00 0.00 C ATOM 1142 CG PHE A 76 13.659 13.285 -9.889 1.00 0.00 C ATOM 1143 CD1 PHE A 76 12.740 12.436 -9.263 1.00 0.00 C ATOM 1144 CD2 PHE A 76 15.030 13.133 -9.649 1.00 0.00 C ATOM 1145 CE1 PHE A 76 13.190 11.434 -8.395 1.00 0.00 C ATOM 1146 CE2 PHE A 76 15.481 12.130 -8.780 1.00 0.00 C ATOM 1147 CZ PHE A 76 14.561 11.282 -8.153 1.00 0.00 C ATOM 0 H PHE A 76 12.356 16.328 -11.963 1.00 0.00 H new ATOM 0 HA PHE A 76 11.823 15.175 -9.308 1.00 0.00 H new ATOM 0 HB2 PHE A 76 12.414 13.969 -11.495 1.00 0.00 H new ATOM 0 HB3 PHE A 76 13.994 14.726 -11.441 1.00 0.00 H new ATOM 0 HD1 PHE A 76 11.683 12.554 -9.449 1.00 0.00 H new ATOM 0 HD2 PHE A 76 15.739 13.788 -10.133 1.00 0.00 H new ATOM 0 HE1 PHE A 76 12.480 10.779 -7.912 1.00 0.00 H new ATOM 0 HE2 PHE A 76 16.538 12.012 -8.594 1.00 0.00 H new ATOM 0 HZ PHE A 76 14.908 10.510 -7.482 1.00 0.00 H new ATOM 1157 N ALA A 77 13.319 17.005 -8.219 1.00 0.00 N ATOM 1158 CA ALA A 77 14.343 17.700 -7.383 1.00 0.00 C ATOM 1159 C ALA A 77 15.306 18.492 -8.276 1.00 0.00 C ATOM 1160 O ALA A 77 16.425 18.778 -7.897 1.00 0.00 O ATOM 1161 CB ALA A 77 15.088 16.586 -6.644 1.00 0.00 C ATOM 0 H ALA A 77 12.350 17.218 -7.982 1.00 0.00 H new ATOM 0 HA ALA A 77 13.892 18.411 -6.691 1.00 0.00 H new ATOM 0 HB1 ALA A 77 15.858 17.023 -6.008 1.00 0.00 H new ATOM 0 HB2 ALA A 77 14.385 16.024 -6.029 1.00 0.00 H new ATOM 0 HB3 ALA A 77 15.552 15.916 -7.368 1.00 0.00 H new ATOM 1167 N GLY A 78 14.877 18.849 -9.460 1.00 0.00 N ATOM 1168 CA GLY A 78 15.764 19.621 -10.376 1.00 0.00 C ATOM 1169 C GLY A 78 15.759 18.980 -11.767 1.00 0.00 C ATOM 1170 O GLY A 78 15.724 19.660 -12.773 1.00 0.00 O ATOM 0 H GLY A 78 13.950 18.638 -9.830 1.00 0.00 H new ATOM 0 HA2 GLY A 78 15.424 20.654 -10.441 1.00 0.00 H new ATOM 0 HA3 GLY A 78 16.779 19.644 -9.980 1.00 0.00 H new ATOM 1174 N LYS A 79 15.799 17.675 -11.832 1.00 0.00 N ATOM 1175 CA LYS A 79 15.801 16.991 -13.159 1.00 0.00 C ATOM 1176 C LYS A 79 14.424 17.106 -13.821 1.00 0.00 C ATOM 1177 O LYS A 79 13.598 17.902 -13.421 1.00 0.00 O ATOM 1178 CB LYS A 79 16.127 15.528 -12.851 1.00 0.00 C ATOM 1179 CG LYS A 79 17.609 15.266 -13.125 1.00 0.00 C ATOM 1180 CD LYS A 79 17.827 15.075 -14.627 1.00 0.00 C ATOM 1181 CE LYS A 79 17.915 13.581 -14.947 1.00 0.00 C ATOM 1182 NZ LYS A 79 19.335 13.216 -14.684 1.00 0.00 N ATOM 0 H LYS A 79 15.830 17.053 -11.024 1.00 0.00 H new ATOM 0 HA LYS A 79 16.520 17.434 -13.848 1.00 0.00 H new ATOM 0 HB2 LYS A 79 15.894 15.304 -11.810 1.00 0.00 H new ATOM 0 HB3 LYS A 79 15.511 14.870 -13.464 1.00 0.00 H new ATOM 0 HG2 LYS A 79 18.209 16.101 -12.763 1.00 0.00 H new ATOM 0 HG3 LYS A 79 17.938 14.379 -12.584 1.00 0.00 H new ATOM 0 HD2 LYS A 79 17.008 15.529 -15.184 1.00 0.00 H new ATOM 0 HD3 LYS A 79 18.742 15.579 -14.939 1.00 0.00 H new ATOM 0 HE2 LYS A 79 17.236 13.002 -14.321 1.00 0.00 H new ATOM 0 HE3 LYS A 79 17.641 13.382 -15.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 19.476 12.205 -14.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 19.958 13.778 -15.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 19.565 13.410 -13.688 1.00 0.00 H new ATOM 1196 N ILE A 80 14.173 16.314 -14.830 1.00 0.00 N ATOM 1197 CA ILE A 80 12.847 16.375 -15.518 1.00 0.00 C ATOM 1198 C ILE A 80 12.164 15.010 -15.486 1.00 0.00 C ATOM 1199 O ILE A 80 12.303 14.223 -16.401 1.00 0.00 O ATOM 1200 CB ILE A 80 13.111 16.784 -16.981 1.00 0.00 C ATOM 1201 CG1 ILE A 80 14.546 16.439 -17.407 1.00 0.00 C ATOM 1202 CG2 ILE A 80 12.895 18.291 -17.130 1.00 0.00 C ATOM 1203 CD1 ILE A 80 14.710 14.920 -17.487 1.00 0.00 C ATOM 0 H ILE A 80 14.827 15.628 -15.208 1.00 0.00 H new ATOM 0 HA ILE A 80 12.194 17.091 -15.018 1.00 0.00 H new ATOM 0 HB ILE A 80 12.420 16.233 -17.619 1.00 0.00 H new ATOM 0 HG12 ILE A 80 14.766 16.890 -18.375 1.00 0.00 H new ATOM 0 HG13 ILE A 80 15.257 16.854 -16.693 1.00 0.00 H new ATOM 0 HG21 ILE A 80 13.081 18.585 -18.163 1.00 0.00 H new ATOM 0 HG22 ILE A 80 11.868 18.540 -16.861 1.00 0.00 H new ATOM 0 HG23 ILE A 80 13.582 18.824 -16.472 1.00 0.00 H new ATOM 0 HD11 ILE A 80 15.729 14.680 -17.789 1.00 0.00 H new ATOM 0 HD12 ILE A 80 14.508 14.480 -16.510 1.00 0.00 H new ATOM 0 HD13 ILE A 80 14.010 14.516 -18.218 1.00 0.00 H new ATOM 1215 N LEU A 81 11.406 14.728 -14.460 1.00 0.00 N ATOM 1216 CA LEU A 81 10.699 13.420 -14.416 1.00 0.00 C ATOM 1217 C LEU A 81 9.682 13.392 -15.554 1.00 0.00 C ATOM 1218 O LEU A 81 8.535 13.763 -15.388 1.00 0.00 O ATOM 1219 CB LEU A 81 10.005 13.370 -13.054 1.00 0.00 C ATOM 1220 CG LEU A 81 9.393 11.985 -12.838 1.00 0.00 C ATOM 1221 CD1 LEU A 81 9.308 11.695 -11.339 1.00 0.00 C ATOM 1222 CD2 LEU A 81 7.987 11.946 -13.442 1.00 0.00 C ATOM 0 H LEU A 81 11.248 15.341 -13.660 1.00 0.00 H new ATOM 0 HA LEU A 81 11.364 12.565 -14.535 1.00 0.00 H new ATOM 0 HB2 LEU A 81 10.721 13.589 -12.262 1.00 0.00 H new ATOM 0 HB3 LEU A 81 9.229 14.133 -13.002 1.00 0.00 H new ATOM 0 HG LEU A 81 10.017 11.234 -13.322 1.00 0.00 H new ATOM 0 HD11 LEU A 81 8.872 10.708 -11.183 1.00 0.00 H new ATOM 0 HD12 LEU A 81 10.308 11.722 -10.906 1.00 0.00 H new ATOM 0 HD13 LEU A 81 8.683 12.448 -10.858 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.552 10.959 -13.288 1.00 0.00 H new ATOM 0 HD22 LEU A 81 7.362 12.697 -12.959 1.00 0.00 H new ATOM 0 HD23 LEU A 81 8.044 12.154 -14.510 1.00 0.00 H new ATOM 1234 N LYS A 82 10.108 12.990 -16.720 1.00 0.00 N ATOM 1235 CA LYS A 82 9.182 12.969 -17.882 1.00 0.00 C ATOM 1236 C LYS A 82 9.531 11.815 -18.826 1.00 0.00 C ATOM 1237 O LYS A 82 10.029 10.789 -18.411 1.00 0.00 O ATOM 1238 CB LYS A 82 9.398 14.318 -18.571 1.00 0.00 C ATOM 1239 CG LYS A 82 8.074 14.803 -19.163 1.00 0.00 C ATOM 1240 CD LYS A 82 8.330 16.013 -20.069 1.00 0.00 C ATOM 1241 CE LYS A 82 7.657 15.790 -21.425 1.00 0.00 C ATOM 1242 NZ LYS A 82 8.162 16.892 -22.290 1.00 0.00 N ATOM 0 H LYS A 82 11.058 12.675 -16.916 1.00 0.00 H new ATOM 0 HA LYS A 82 8.144 12.820 -17.584 1.00 0.00 H new ATOM 0 HB2 LYS A 82 9.778 15.047 -17.856 1.00 0.00 H new ATOM 0 HB3 LYS A 82 10.147 14.222 -19.357 1.00 0.00 H new ATOM 0 HG2 LYS A 82 7.603 14.002 -19.733 1.00 0.00 H new ATOM 0 HG3 LYS A 82 7.384 15.073 -18.364 1.00 0.00 H new ATOM 0 HD2 LYS A 82 7.941 16.918 -19.603 1.00 0.00 H new ATOM 0 HD3 LYS A 82 9.402 16.159 -20.203 1.00 0.00 H new ATOM 0 HE2 LYS A 82 7.914 14.814 -21.838 1.00 0.00 H new ATOM 0 HE3 LYS A 82 6.571 15.823 -21.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 7.745 16.808 -23.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 7.897 17.808 -21.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 9.198 16.831 -22.361 1.00 0.00 H new ATOM 1256 N ASP A 83 9.269 11.977 -20.093 1.00 0.00 N ATOM 1257 CA ASP A 83 9.574 10.890 -21.068 1.00 0.00 C ATOM 1258 C ASP A 83 11.083 10.775 -21.288 1.00 0.00 C ATOM 1259 O ASP A 83 11.582 9.749 -21.708 1.00 0.00 O ATOM 1260 CB ASP A 83 8.855 11.293 -22.357 1.00 0.00 C ATOM 1261 CG ASP A 83 9.441 12.600 -22.898 1.00 0.00 C ATOM 1262 OD1 ASP A 83 9.700 13.486 -22.101 1.00 0.00 O ATOM 1263 OD2 ASP A 83 9.619 12.692 -24.101 1.00 0.00 O ATOM 0 H ASP A 83 8.856 12.817 -20.497 1.00 0.00 H new ATOM 0 HA ASP A 83 9.242 9.914 -20.714 1.00 0.00 H new ATOM 0 HB2 ASP A 83 8.957 10.504 -23.102 1.00 0.00 H new ATOM 0 HB3 ASP A 83 7.789 11.415 -22.165 1.00 0.00 H new ATOM 1268 N GLN A 84 11.815 11.819 -21.001 1.00 0.00 N ATOM 1269 CA GLN A 84 13.294 11.767 -21.185 1.00 0.00 C ATOM 1270 C GLN A 84 13.878 10.586 -20.404 1.00 0.00 C ATOM 1271 O GLN A 84 14.849 9.979 -20.813 1.00 0.00 O ATOM 1272 CB GLN A 84 13.812 13.091 -20.624 1.00 0.00 C ATOM 1273 CG GLN A 84 15.300 13.242 -20.954 1.00 0.00 C ATOM 1274 CD GLN A 84 15.598 14.698 -21.315 1.00 0.00 C ATOM 1275 OE1 GLN A 84 14.907 15.597 -20.878 1.00 0.00 O ATOM 1276 NE2 GLN A 84 16.604 14.970 -22.098 1.00 0.00 N ATOM 0 H GLN A 84 11.452 12.704 -20.647 1.00 0.00 H new ATOM 0 HA GLN A 84 13.577 11.631 -22.229 1.00 0.00 H new ATOM 0 HB2 GLN A 84 13.249 13.922 -21.048 1.00 0.00 H new ATOM 0 HB3 GLN A 84 13.663 13.123 -19.545 1.00 0.00 H new ATOM 0 HG2 GLN A 84 15.905 12.937 -20.100 1.00 0.00 H new ATOM 0 HG3 GLN A 84 15.567 12.588 -21.784 1.00 0.00 H new ATOM 0 HE21 GLN A 84 17.184 14.215 -22.464 1.00 0.00 H new ATOM 0 HE22 GLN A 84 16.812 15.938 -22.344 1.00 0.00 H new ATOM 1285 N ASP A 85 13.291 10.258 -19.283 1.00 0.00 N ATOM 1286 CA ASP A 85 13.811 9.117 -18.475 1.00 0.00 C ATOM 1287 C ASP A 85 12.650 8.369 -17.817 1.00 0.00 C ATOM 1288 O ASP A 85 11.582 8.914 -17.623 1.00 0.00 O ATOM 1289 CB ASP A 85 14.706 9.759 -17.414 1.00 0.00 C ATOM 1290 CG ASP A 85 16.074 10.070 -18.021 1.00 0.00 C ATOM 1291 OD1 ASP A 85 16.138 10.940 -18.875 1.00 0.00 O ATOM 1292 OD2 ASP A 85 17.037 9.435 -17.621 1.00 0.00 O ATOM 0 H ASP A 85 12.475 10.730 -18.893 1.00 0.00 H new ATOM 0 HA ASP A 85 14.355 8.393 -19.081 1.00 0.00 H new ATOM 0 HB2 ASP A 85 14.246 10.674 -17.040 1.00 0.00 H new ATOM 0 HB3 ASP A 85 14.818 9.087 -16.563 1.00 0.00 H new ATOM 1297 N THR A 86 12.851 7.126 -17.469 1.00 0.00 N ATOM 1298 CA THR A 86 11.756 6.349 -16.820 1.00 0.00 C ATOM 1299 C THR A 86 11.754 6.615 -15.314 1.00 0.00 C ATOM 1300 O THR A 86 12.726 7.089 -14.759 1.00 0.00 O ATOM 1301 CB THR A 86 12.074 4.881 -17.111 1.00 0.00 C ATOM 1302 OG1 THR A 86 13.480 4.687 -17.093 1.00 0.00 O ATOM 1303 CG2 THR A 86 11.522 4.501 -18.487 1.00 0.00 C ATOM 0 H THR A 86 13.724 6.616 -17.606 1.00 0.00 H new ATOM 0 HA THR A 86 10.771 6.626 -17.196 1.00 0.00 H new ATOM 0 HB THR A 86 11.612 4.253 -16.349 1.00 0.00 H new ATOM 0 HG1 THR A 86 13.755 4.208 -17.903 1.00 0.00 H new ATOM 0 HG21 THR A 86 11.749 3.455 -18.694 1.00 0.00 H new ATOM 0 HG22 THR A 86 10.442 4.647 -18.499 1.00 0.00 H new ATOM 0 HG23 THR A 86 11.982 5.130 -19.250 1.00 0.00 H new ATOM 1311 N LEU A 87 10.669 6.322 -14.650 1.00 0.00 N ATOM 1312 CA LEU A 87 10.610 6.568 -13.179 1.00 0.00 C ATOM 1313 C LEU A 87 11.593 5.660 -12.445 1.00 0.00 C ATOM 1314 O LEU A 87 12.329 6.098 -11.583 1.00 0.00 O ATOM 1315 CB LEU A 87 9.167 6.260 -12.773 1.00 0.00 C ATOM 1316 CG LEU A 87 8.522 7.528 -12.211 1.00 0.00 C ATOM 1317 CD1 LEU A 87 8.460 8.602 -13.302 1.00 0.00 C ATOM 1318 CD2 LEU A 87 7.107 7.210 -11.719 1.00 0.00 C ATOM 0 H LEU A 87 9.824 5.925 -15.060 1.00 0.00 H new ATOM 0 HA LEU A 87 10.886 7.591 -12.924 1.00 0.00 H new ATOM 0 HB2 LEU A 87 8.603 5.901 -13.634 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.148 5.466 -12.026 1.00 0.00 H new ATOM 0 HG LEU A 87 9.119 7.897 -11.377 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.000 9.504 -12.899 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.469 8.831 -13.645 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.867 8.236 -14.140 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.649 8.115 -11.319 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.508 6.837 -12.550 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.155 6.452 -10.938 1.00 0.00 H new ATOM 1330 N ILE A 88 11.622 4.400 -12.782 1.00 0.00 N ATOM 1331 CA ILE A 88 12.571 3.473 -12.100 1.00 0.00 C ATOM 1332 C ILE A 88 14.016 3.906 -12.360 1.00 0.00 C ATOM 1333 O ILE A 88 14.928 3.501 -11.666 1.00 0.00 O ATOM 1334 CB ILE A 88 12.316 2.100 -12.720 1.00 0.00 C ATOM 1335 CG1 ILE A 88 12.444 2.188 -14.245 1.00 0.00 C ATOM 1336 CG2 ILE A 88 10.910 1.628 -12.352 1.00 0.00 C ATOM 1337 CD1 ILE A 88 13.180 0.953 -14.770 1.00 0.00 C ATOM 0 H ILE A 88 11.033 3.973 -13.497 1.00 0.00 H new ATOM 0 HA ILE A 88 12.424 3.467 -11.020 1.00 0.00 H new ATOM 0 HB ILE A 88 13.050 1.391 -12.338 1.00 0.00 H new ATOM 0 HG12 ILE A 88 11.456 2.256 -14.700 1.00 0.00 H new ATOM 0 HG13 ILE A 88 12.985 3.092 -14.523 1.00 0.00 H new ATOM 0 HG21 ILE A 88 10.728 0.649 -12.794 1.00 0.00 H new ATOM 0 HG22 ILE A 88 10.822 1.559 -11.268 1.00 0.00 H new ATOM 0 HG23 ILE A 88 10.176 2.339 -12.731 1.00 0.00 H new ATOM 0 HD11 ILE A 88 13.270 1.017 -15.854 1.00 0.00 H new ATOM 0 HD12 ILE A 88 14.174 0.905 -14.325 1.00 0.00 H new ATOM 0 HD13 ILE A 88 12.621 0.056 -14.505 1.00 0.00 H new ATOM 1349 N GLN A 89 14.232 4.717 -13.361 1.00 0.00 N ATOM 1350 CA GLN A 89 15.618 5.164 -13.671 1.00 0.00 C ATOM 1351 C GLN A 89 15.899 6.546 -13.078 1.00 0.00 C ATOM 1352 O GLN A 89 17.034 6.981 -13.031 1.00 0.00 O ATOM 1353 CB GLN A 89 15.684 5.220 -15.196 1.00 0.00 C ATOM 1354 CG GLN A 89 15.649 3.798 -15.754 1.00 0.00 C ATOM 1355 CD GLN A 89 16.953 3.080 -15.402 1.00 0.00 C ATOM 1356 OE1 GLN A 89 17.058 2.465 -14.358 1.00 0.00 O ATOM 1357 NE2 GLN A 89 17.957 3.131 -16.233 1.00 0.00 N ATOM 0 H GLN A 89 13.508 5.088 -13.976 1.00 0.00 H new ATOM 0 HA GLN A 89 16.361 4.489 -13.246 1.00 0.00 H new ATOM 0 HB2 GLN A 89 14.846 5.797 -15.587 1.00 0.00 H new ATOM 0 HB3 GLN A 89 16.596 5.726 -15.514 1.00 0.00 H new ATOM 0 HG2 GLN A 89 14.799 3.255 -15.341 1.00 0.00 H new ATOM 0 HG3 GLN A 89 15.516 3.823 -16.836 1.00 0.00 H new ATOM 0 HE21 GLN A 89 17.869 3.647 -17.109 1.00 0.00 H new ATOM 0 HE22 GLN A 89 18.830 2.655 -16.007 1.00 0.00 H new ATOM 1366 N HIS A 90 14.889 7.250 -12.626 1.00 0.00 N ATOM 1367 CA HIS A 90 15.147 8.609 -12.046 1.00 0.00 C ATOM 1368 C HIS A 90 13.853 9.293 -11.593 1.00 0.00 C ATOM 1369 O HIS A 90 13.866 10.095 -10.680 1.00 0.00 O ATOM 1370 CB HIS A 90 15.788 9.413 -13.178 1.00 0.00 C ATOM 1371 CG HIS A 90 17.226 9.701 -12.840 1.00 0.00 C ATOM 1372 ND1 HIS A 90 18.227 9.683 -13.799 1.00 0.00 N ATOM 1373 CD2 HIS A 90 17.846 10.011 -11.656 1.00 0.00 C ATOM 1374 CE1 HIS A 90 19.386 9.975 -13.179 1.00 0.00 C ATOM 1375 NE2 HIS A 90 19.209 10.184 -11.872 1.00 0.00 N ATOM 0 H HIS A 90 13.914 6.951 -12.632 1.00 0.00 H new ATOM 0 HA HIS A 90 15.782 8.539 -11.163 1.00 0.00 H new ATOM 0 HB2 HIS A 90 15.728 8.856 -14.113 1.00 0.00 H new ATOM 0 HB3 HIS A 90 15.245 10.346 -13.328 1.00 0.00 H new ATOM 0 HD2 HIS A 90 17.351 10.106 -10.701 1.00 0.00 H new ATOM 0 HE1 HIS A 90 20.342 10.033 -13.678 1.00 0.00 H new ATOM 0 HE2 HIS A 90 19.921 10.420 -11.180 1.00 0.00 H new ATOM 1383 N GLY A 91 12.740 9.005 -12.216 1.00 0.00 N ATOM 1384 CA GLY A 91 11.472 9.677 -11.791 1.00 0.00 C ATOM 1385 C GLY A 91 11.223 9.365 -10.317 1.00 0.00 C ATOM 1386 O GLY A 91 10.998 10.249 -9.513 1.00 0.00 O ATOM 0 H GLY A 91 12.652 8.345 -12.989 1.00 0.00 H new ATOM 0 HA2 GLY A 91 11.546 10.754 -11.942 1.00 0.00 H new ATOM 0 HA3 GLY A 91 10.637 9.327 -12.398 1.00 0.00 H new ATOM 1390 N ILE A 92 11.287 8.115 -9.953 1.00 0.00 N ATOM 1391 CA ILE A 92 11.086 7.738 -8.529 1.00 0.00 C ATOM 1392 C ILE A 92 11.887 6.471 -8.233 1.00 0.00 C ATOM 1393 O ILE A 92 12.275 5.753 -9.134 1.00 0.00 O ATOM 1394 CB ILE A 92 9.585 7.481 -8.377 1.00 0.00 C ATOM 1395 CG1 ILE A 92 9.161 6.354 -9.321 1.00 0.00 C ATOM 1396 CG2 ILE A 92 8.806 8.754 -8.716 1.00 0.00 C ATOM 1397 CD1 ILE A 92 9.404 5.006 -8.640 1.00 0.00 C ATOM 0 H ILE A 92 11.471 7.336 -10.585 1.00 0.00 H new ATOM 0 HA ILE A 92 11.420 8.511 -7.838 1.00 0.00 H new ATOM 0 HB ILE A 92 9.371 7.192 -7.348 1.00 0.00 H new ATOM 0 HG12 ILE A 92 8.108 6.459 -9.581 1.00 0.00 H new ATOM 0 HG13 ILE A 92 9.726 6.412 -10.251 1.00 0.00 H new ATOM 0 HG21 ILE A 92 7.738 8.567 -8.607 1.00 0.00 H new ATOM 0 HG22 ILE A 92 9.105 9.555 -8.040 1.00 0.00 H new ATOM 0 HG23 ILE A 92 9.019 9.048 -9.744 1.00 0.00 H new ATOM 0 HD11 ILE A 92 9.103 4.200 -9.310 1.00 0.00 H new ATOM 0 HD12 ILE A 92 10.463 4.904 -8.403 1.00 0.00 H new ATOM 0 HD13 ILE A 92 8.819 4.952 -7.722 1.00 0.00 H new ATOM 1409 N HIS A 93 12.134 6.184 -6.990 1.00 0.00 N ATOM 1410 CA HIS A 93 12.905 4.954 -6.657 1.00 0.00 C ATOM 1411 C HIS A 93 12.000 3.946 -5.944 1.00 0.00 C ATOM 1412 O HIS A 93 12.238 2.754 -5.974 1.00 0.00 O ATOM 1413 CB HIS A 93 14.030 5.431 -5.738 1.00 0.00 C ATOM 1414 CG HIS A 93 15.266 5.703 -6.555 1.00 0.00 C ATOM 1415 ND1 HIS A 93 15.240 6.462 -7.719 1.00 0.00 N ATOM 1416 CD2 HIS A 93 16.576 5.326 -6.385 1.00 0.00 C ATOM 1417 CE1 HIS A 93 16.497 6.515 -8.196 1.00 0.00 C ATOM 1418 NE2 HIS A 93 17.350 5.840 -7.421 1.00 0.00 N ATOM 0 H HIS A 93 11.838 6.744 -6.191 1.00 0.00 H new ATOM 0 HA HIS A 93 13.296 4.451 -7.541 1.00 0.00 H new ATOM 0 HB2 HIS A 93 13.724 6.334 -5.210 1.00 0.00 H new ATOM 0 HB3 HIS A 93 14.241 4.675 -4.981 1.00 0.00 H new ATOM 0 HD2 HIS A 93 16.949 4.722 -5.571 1.00 0.00 H new ATOM 0 HE1 HIS A 93 16.782 7.040 -9.096 1.00 0.00 H new ATOM 0 HE2 HIS A 93 18.354 5.726 -7.559 1.00 0.00 H new ATOM 1426 N ASP A 94 10.955 4.417 -5.310 1.00 0.00 N ATOM 1427 CA ASP A 94 10.018 3.496 -4.597 1.00 0.00 C ATOM 1428 C ASP A 94 8.891 4.298 -3.940 1.00 0.00 C ATOM 1429 O ASP A 94 8.446 3.986 -2.853 1.00 0.00 O ATOM 1430 CB ASP A 94 10.859 2.785 -3.529 1.00 0.00 C ATOM 1431 CG ASP A 94 11.613 3.818 -2.687 1.00 0.00 C ATOM 1432 OD1 ASP A 94 10.989 4.775 -2.259 1.00 0.00 O ATOM 1433 OD2 ASP A 94 12.801 3.633 -2.484 1.00 0.00 O ATOM 0 H ASP A 94 10.710 5.406 -5.256 1.00 0.00 H new ATOM 0 HA ASP A 94 9.555 2.783 -5.280 1.00 0.00 H new ATOM 0 HB2 ASP A 94 10.215 2.181 -2.889 1.00 0.00 H new ATOM 0 HB3 ASP A 94 11.566 2.104 -4.004 1.00 0.00 H new ATOM 1438 N GLY A 95 8.430 5.333 -4.592 1.00 0.00 N ATOM 1439 CA GLY A 95 7.333 6.157 -4.007 1.00 0.00 C ATOM 1440 C GLY A 95 7.912 7.454 -3.436 1.00 0.00 C ATOM 1441 O GLY A 95 7.922 7.665 -2.239 1.00 0.00 O ATOM 0 H GLY A 95 8.766 5.643 -5.504 1.00 0.00 H new ATOM 0 HA2 GLY A 95 6.589 6.384 -4.770 1.00 0.00 H new ATOM 0 HA3 GLY A 95 6.824 5.598 -3.222 1.00 0.00 H new ATOM 1445 N LEU A 96 8.392 8.324 -4.284 1.00 0.00 N ATOM 1446 CA LEU A 96 8.968 9.610 -3.790 1.00 0.00 C ATOM 1447 C LEU A 96 8.053 10.776 -4.173 1.00 0.00 C ATOM 1448 O LEU A 96 6.976 10.582 -4.702 1.00 0.00 O ATOM 1449 CB LEU A 96 10.322 9.733 -4.492 1.00 0.00 C ATOM 1450 CG LEU A 96 11.345 10.330 -3.525 1.00 0.00 C ATOM 1451 CD1 LEU A 96 12.104 9.203 -2.820 1.00 0.00 C ATOM 1452 CD2 LEU A 96 12.335 11.199 -4.303 1.00 0.00 C ATOM 0 H LEU A 96 8.411 8.201 -5.296 1.00 0.00 H new ATOM 0 HA LEU A 96 9.071 9.630 -2.705 1.00 0.00 H new ATOM 0 HB2 LEU A 96 10.657 8.754 -4.834 1.00 0.00 H new ATOM 0 HB3 LEU A 96 10.229 10.364 -5.376 1.00 0.00 H new ATOM 0 HG LEU A 96 10.828 10.939 -2.783 1.00 0.00 H new ATOM 0 HD11 LEU A 96 12.833 9.630 -2.131 1.00 0.00 H new ATOM 0 HD12 LEU A 96 11.401 8.582 -2.265 1.00 0.00 H new ATOM 0 HD13 LEU A 96 12.620 8.593 -3.561 1.00 0.00 H new ATOM 0 HD21 LEU A 96 13.065 11.625 -3.614 1.00 0.00 H new ATOM 0 HD22 LEU A 96 12.850 10.589 -5.045 1.00 0.00 H new ATOM 0 HD23 LEU A 96 11.797 12.003 -4.805 1.00 0.00 H new ATOM 1464 N THR A 97 8.471 11.986 -3.909 1.00 0.00 N ATOM 1465 CA THR A 97 7.622 13.164 -4.258 1.00 0.00 C ATOM 1466 C THR A 97 8.268 13.968 -5.390 1.00 0.00 C ATOM 1467 O THR A 97 9.442 14.278 -5.355 1.00 0.00 O ATOM 1468 CB THR A 97 7.545 13.998 -2.973 1.00 0.00 C ATOM 1469 OG1 THR A 97 6.780 15.169 -3.220 1.00 0.00 O ATOM 1470 CG2 THR A 97 8.952 14.395 -2.515 1.00 0.00 C ATOM 0 H THR A 97 9.363 12.210 -3.467 1.00 0.00 H new ATOM 0 HA THR A 97 6.633 12.869 -4.608 1.00 0.00 H new ATOM 0 HB THR A 97 7.073 13.405 -2.190 1.00 0.00 H new ATOM 0 HG1 THR A 97 7.105 15.898 -2.652 1.00 0.00 H new ATOM 0 HG21 THR A 97 8.884 14.987 -1.602 1.00 0.00 H new ATOM 0 HG22 THR A 97 9.539 13.497 -2.323 1.00 0.00 H new ATOM 0 HG23 THR A 97 9.435 14.984 -3.294 1.00 0.00 H new ATOM 1478 N VAL A 98 7.507 14.299 -6.400 1.00 0.00 N ATOM 1479 CA VAL A 98 8.072 15.074 -7.544 1.00 0.00 C ATOM 1480 C VAL A 98 7.215 16.312 -7.828 1.00 0.00 C ATOM 1481 O VAL A 98 6.034 16.337 -7.544 1.00 0.00 O ATOM 1482 CB VAL A 98 8.035 14.110 -8.733 1.00 0.00 C ATOM 1483 CG1 VAL A 98 8.949 12.915 -8.450 1.00 0.00 C ATOM 1484 CG2 VAL A 98 6.601 13.616 -8.951 1.00 0.00 C ATOM 0 H VAL A 98 6.517 14.066 -6.482 1.00 0.00 H new ATOM 0 HA VAL A 98 9.081 15.431 -7.339 1.00 0.00 H new ATOM 0 HB VAL A 98 8.379 14.628 -9.629 1.00 0.00 H new ATOM 0 HG11 VAL A 98 8.923 12.229 -9.296 1.00 0.00 H new ATOM 0 HG12 VAL A 98 9.970 13.266 -8.299 1.00 0.00 H new ATOM 0 HG13 VAL A 98 8.606 12.399 -7.553 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.577 12.930 -9.798 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.254 13.100 -8.056 1.00 0.00 H new ATOM 0 HG23 VAL A 98 5.950 14.466 -9.155 1.00 0.00 H new ATOM 1494 N HIS A 99 7.802 17.335 -8.389 1.00 0.00 N ATOM 1495 CA HIS A 99 7.022 18.570 -8.697 1.00 0.00 C ATOM 1496 C HIS A 99 6.439 18.480 -10.110 1.00 0.00 C ATOM 1497 O HIS A 99 7.053 17.939 -11.004 1.00 0.00 O ATOM 1498 CB HIS A 99 8.035 19.715 -8.602 1.00 0.00 C ATOM 1499 CG HIS A 99 7.504 20.787 -7.692 1.00 0.00 C ATOM 1500 ND1 HIS A 99 7.120 20.526 -6.385 1.00 0.00 N ATOM 1501 CD2 HIS A 99 7.286 22.129 -7.884 1.00 0.00 C ATOM 1502 CE1 HIS A 99 6.696 21.685 -5.848 1.00 0.00 C ATOM 1503 NE2 HIS A 99 6.776 22.694 -6.719 1.00 0.00 N ATOM 0 H HIS A 99 8.788 17.369 -8.648 1.00 0.00 H new ATOM 0 HA HIS A 99 6.184 18.714 -8.014 1.00 0.00 H new ATOM 0 HB2 HIS A 99 8.986 19.341 -8.223 1.00 0.00 H new ATOM 0 HB3 HIS A 99 8.226 20.127 -9.593 1.00 0.00 H new ATOM 0 HD2 HIS A 99 7.481 22.665 -8.801 1.00 0.00 H new ATOM 0 HE1 HIS A 99 6.335 21.787 -4.835 1.00 0.00 H new ATOM 0 HE2 HIS A 99 6.519 23.669 -6.564 1.00 0.00 H new ATOM 1511 N LEU A 100 5.259 19.003 -10.320 1.00 0.00 N ATOM 1512 CA LEU A 100 4.648 18.945 -11.682 1.00 0.00 C ATOM 1513 C LEU A 100 4.373 20.362 -12.196 1.00 0.00 C ATOM 1514 O LEU A 100 3.896 21.211 -11.469 1.00 0.00 O ATOM 1515 CB LEU A 100 3.338 18.176 -11.506 1.00 0.00 C ATOM 1516 CG LEU A 100 2.697 17.940 -12.876 1.00 0.00 C ATOM 1517 CD1 LEU A 100 2.005 16.576 -12.891 1.00 0.00 C ATOM 1518 CD2 LEU A 100 1.665 19.036 -13.153 1.00 0.00 C ATOM 0 H LEU A 100 4.693 19.467 -9.609 1.00 0.00 H new ATOM 0 HA LEU A 100 5.305 18.463 -12.406 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.527 17.223 -11.012 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.657 18.737 -10.866 1.00 0.00 H new ATOM 0 HG LEU A 100 3.470 17.964 -13.645 1.00 0.00 H new ATOM 0 HD11 LEU A 100 1.549 16.410 -13.867 1.00 0.00 H new ATOM 0 HD12 LEU A 100 2.738 15.794 -12.695 1.00 0.00 H new ATOM 0 HD13 LEU A 100 1.233 16.551 -12.121 1.00 0.00 H new ATOM 0 HD21 LEU A 100 1.209 18.868 -14.128 1.00 0.00 H new ATOM 0 HD22 LEU A 100 0.894 19.013 -12.383 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.156 20.009 -13.145 1.00 0.00 H new ATOM 1530 N VAL A 101 4.673 20.624 -13.441 1.00 0.00 N ATOM 1531 CA VAL A 101 4.430 21.988 -13.993 1.00 0.00 C ATOM 1532 C VAL A 101 4.527 21.965 -15.523 1.00 0.00 C ATOM 1533 O VAL A 101 4.935 20.984 -16.111 1.00 0.00 O ATOM 1534 CB VAL A 101 5.537 22.856 -13.386 1.00 0.00 C ATOM 1535 CG1 VAL A 101 6.906 22.337 -13.830 1.00 0.00 C ATOM 1536 CG2 VAL A 101 5.369 24.305 -13.852 1.00 0.00 C ATOM 0 H VAL A 101 5.075 19.954 -14.097 1.00 0.00 H new ATOM 0 HA VAL A 101 3.437 22.368 -13.751 1.00 0.00 H new ATOM 0 HB VAL A 101 5.468 22.812 -12.299 1.00 0.00 H new ATOM 0 HG11 VAL A 101 7.689 22.958 -13.395 1.00 0.00 H new ATOM 0 HG12 VAL A 101 7.031 21.308 -13.494 1.00 0.00 H new ATOM 0 HG13 VAL A 101 6.974 22.375 -14.917 1.00 0.00 H new ATOM 0 HG21 VAL A 101 6.158 24.920 -13.419 1.00 0.00 H new ATOM 0 HG22 VAL A 101 5.432 24.347 -14.939 1.00 0.00 H new ATOM 0 HG23 VAL A 101 4.398 24.680 -13.530 1.00 0.00 H new ATOM 1546 N ILE A 102 4.153 23.037 -16.168 1.00 0.00 N ATOM 1547 CA ILE A 102 4.225 23.076 -17.657 1.00 0.00 C ATOM 1548 C ILE A 102 5.399 23.953 -18.106 1.00 0.00 C ATOM 1549 O ILE A 102 5.625 25.024 -17.576 1.00 0.00 O ATOM 1550 CB ILE A 102 2.890 23.679 -18.103 1.00 0.00 C ATOM 1551 CG1 ILE A 102 2.839 23.729 -19.632 1.00 0.00 C ATOM 1552 CG2 ILE A 102 2.739 25.096 -17.538 1.00 0.00 C ATOM 1553 CD1 ILE A 102 1.399 23.513 -20.100 1.00 0.00 C ATOM 0 H ILE A 102 3.801 23.887 -15.728 1.00 0.00 H new ATOM 0 HA ILE A 102 4.387 22.090 -18.092 1.00 0.00 H new ATOM 0 HB ILE A 102 2.075 23.059 -17.730 1.00 0.00 H new ATOM 0 HG12 ILE A 102 3.208 24.691 -19.988 1.00 0.00 H new ATOM 0 HG13 ILE A 102 3.489 22.962 -20.054 1.00 0.00 H new ATOM 0 HG21 ILE A 102 1.787 25.517 -17.861 1.00 0.00 H new ATOM 0 HG22 ILE A 102 2.769 25.059 -16.449 1.00 0.00 H new ATOM 0 HG23 ILE A 102 3.554 25.722 -17.902 1.00 0.00 H new ATOM 0 HD11 ILE A 102 1.361 23.548 -21.189 1.00 0.00 H new ATOM 0 HD12 ILE A 102 1.047 22.541 -19.756 1.00 0.00 H new ATOM 0 HD13 ILE A 102 0.762 24.296 -19.689 1.00 0.00 H new