USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 572 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 99 GLN : amide:sc= 0.73 K(o=1.6,f=-1.9) USER MOD Set 1.2: A 101 LYS NZ :NH3+ 165:sc= 0.836 (180deg=0) USER MOD Set 2.1: A 94 SER OG : rot 180:sc= 0.526 USER MOD Set 2.2: A 95 GLN : amide:sc= 0.557 X(o=1.1,f=0.89) USER MOD Set 3.1: A 84 GLN : amide:sc= 2 K(o=3.1,f=-6) USER MOD Set 3.2: A 87 LYS NZ :NH3+ 162:sc= 1.14 (180deg=-0.00566) USER MOD Set 4.1: A 67 ASN : amide:sc= 0.334 K(o=0.67,f=-0.011) USER MOD Set 4.2: A 79 GLN : amide:sc= 0.336 K(o=0.67,f=-0.12) USER MOD Set 5.1: A 59 LYS NZ :NH3+ -167:sc= 0.858 (180deg=0.509) USER MOD Set 5.2: A 65 ASN : amide:sc= 0.708 K(o=1.6,f=-3.1!) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 THR OG1 : rot 65:sc= 1.16 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.00526 USER MOD Single : A 43 GLN : amide:sc= 1.18 K(o=1.2,f=-5.8!) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 CYS SG : rot 180:sc= -0.0077 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 89 CYS SG : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl 167:sc=-0.00672 (180deg=-0.0374) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= 0 K(o=0,f=-1.8) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 363 N ILE A 26 9.337 -2.768 -0.678 1.00 0.00 N ATOM 364 CA ILE A 26 8.068 -2.335 -0.079 1.00 0.00 C ATOM 365 C ILE A 26 7.417 -3.577 0.530 1.00 0.00 C ATOM 366 O ILE A 26 7.277 -4.589 -0.152 1.00 0.00 O ATOM 367 CB ILE A 26 7.154 -1.704 -1.155 1.00 0.00 C ATOM 368 CG1 ILE A 26 7.906 -0.576 -1.900 1.00 0.00 C ATOM 369 CG2 ILE A 26 5.838 -1.211 -0.516 1.00 0.00 C ATOM 370 CD1 ILE A 26 7.055 0.202 -2.904 1.00 0.00 C ATOM 0 HA ILE A 26 8.234 -1.577 0.686 1.00 0.00 H new ATOM 0 HB ILE A 26 6.889 -2.459 -1.895 1.00 0.00 H new ATOM 0 HG12 ILE A 26 8.307 0.122 -1.165 1.00 0.00 H new ATOM 0 HG13 ILE A 26 8.757 -1.010 -2.425 1.00 0.00 H new ATOM 0 HG21 ILE A 26 5.204 -0.769 -1.284 1.00 0.00 H new ATOM 0 HG22 ILE A 26 5.319 -2.052 -0.057 1.00 0.00 H new ATOM 0 HG23 ILE A 26 6.061 -0.463 0.245 1.00 0.00 H new ATOM 0 HD11 ILE A 26 7.664 0.972 -3.378 1.00 0.00 H new ATOM 0 HD12 ILE A 26 6.675 -0.480 -3.665 1.00 0.00 H new ATOM 0 HD13 ILE A 26 6.218 0.670 -2.386 1.00 0.00 H new ATOM 382 N HIS A 27 7.026 -3.514 1.797 1.00 0.00 N ATOM 383 CA HIS A 27 6.515 -4.652 2.559 1.00 0.00 C ATOM 384 C HIS A 27 5.025 -4.457 2.881 1.00 0.00 C ATOM 385 O HIS A 27 4.656 -3.521 3.593 1.00 0.00 O ATOM 386 CB HIS A 27 7.357 -4.805 3.835 1.00 0.00 C ATOM 387 CG HIS A 27 8.830 -4.977 3.575 1.00 0.00 C ATOM 388 ND1 HIS A 27 9.449 -6.162 3.174 1.00 0.00 N ATOM 389 CD2 HIS A 27 9.774 -3.999 3.693 1.00 0.00 C ATOM 390 CE1 HIS A 27 10.754 -5.864 3.058 1.00 0.00 C ATOM 391 NE2 HIS A 27 10.979 -4.573 3.362 1.00 0.00 N ATOM 0 H HIS A 27 7.055 -2.650 2.338 1.00 0.00 H new ATOM 0 HA HIS A 27 6.597 -5.566 1.971 1.00 0.00 H new ATOM 0 HB2 HIS A 27 7.209 -3.927 4.464 1.00 0.00 H new ATOM 0 HB3 HIS A 27 6.994 -5.665 4.397 1.00 0.00 H new ATOM 0 HD2 HIS A 27 9.607 -2.974 3.989 1.00 0.00 H new ATOM 0 HE1 HIS A 27 11.519 -6.566 2.761 1.00 0.00 H new ATOM 0 HE2 HIS A 27 11.884 -4.103 3.349 1.00 0.00 H new ATOM 399 N ILE A 28 4.163 -5.339 2.370 1.00 0.00 N ATOM 400 CA ILE A 28 2.717 -5.332 2.654 1.00 0.00 C ATOM 401 C ILE A 28 2.400 -6.526 3.562 1.00 0.00 C ATOM 402 O ILE A 28 2.472 -7.686 3.145 1.00 0.00 O ATOM 403 CB ILE A 28 1.873 -5.309 1.355 1.00 0.00 C ATOM 404 CG1 ILE A 28 2.316 -4.178 0.391 1.00 0.00 C ATOM 405 CG2 ILE A 28 0.390 -5.122 1.750 1.00 0.00 C ATOM 406 CD1 ILE A 28 1.714 -4.295 -1.015 1.00 0.00 C ATOM 0 H ILE A 28 4.448 -6.089 1.740 1.00 0.00 H new ATOM 0 HA ILE A 28 2.443 -4.416 3.177 1.00 0.00 H new ATOM 0 HB ILE A 28 2.018 -6.249 0.823 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.033 -3.216 0.819 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.403 -4.184 0.313 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.226 -5.102 0.851 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.076 -5.949 2.387 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.273 -4.183 2.291 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.069 -3.470 -1.633 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.018 -5.241 -1.463 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.627 -4.258 -0.949 1.00 0.00 H new ATOM 418 N ARG A 29 2.106 -6.215 4.822 1.00 0.00 N ATOM 419 CA ARG A 29 1.890 -7.145 5.935 1.00 0.00 C ATOM 420 C ARG A 29 0.432 -7.065 6.409 1.00 0.00 C ATOM 421 O ARG A 29 -0.336 -6.214 5.958 1.00 0.00 O ATOM 422 CB ARG A 29 2.841 -6.767 7.093 1.00 0.00 C ATOM 423 CG ARG A 29 4.322 -6.647 6.695 1.00 0.00 C ATOM 424 CD ARG A 29 5.190 -6.294 7.910 1.00 0.00 C ATOM 425 NE ARG A 29 6.579 -6.007 7.512 1.00 0.00 N ATOM 426 CZ ARG A 29 7.537 -6.871 7.205 1.00 0.00 C ATOM 427 NH1 ARG A 29 7.363 -8.176 7.250 1.00 0.00 N ATOM 428 NH2 ARG A 29 8.705 -6.397 6.840 1.00 0.00 N ATOM 0 H ARG A 29 2.005 -5.243 5.115 1.00 0.00 H new ATOM 0 HA ARG A 29 2.095 -8.164 5.608 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.515 -5.818 7.518 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.750 -7.516 7.879 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.663 -7.587 6.260 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.435 -5.881 5.928 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.769 -5.427 8.420 1.00 0.00 H new ATOM 0 HD3 ARG A 29 5.177 -7.120 8.621 1.00 0.00 H new ATOM 0 HE ARG A 29 6.836 -5.021 7.467 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.461 -8.561 7.530 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.130 -8.802 7.005 1.00 0.00 H new ATOM 0 HH21 ARG A 29 8.856 -5.389 6.799 1.00 0.00 H new ATOM 0 HH22 ARG A 29 9.462 -7.036 6.598 1.00 0.00 H new ATOM 442 N ILE A 30 0.027 -7.932 7.337 1.00 0.00 N ATOM 443 CA ILE A 30 -1.256 -7.837 8.053 1.00 0.00 C ATOM 444 C ILE A 30 -0.980 -7.860 9.566 1.00 0.00 C ATOM 445 O ILE A 30 -0.081 -8.558 10.041 1.00 0.00 O ATOM 446 CB ILE A 30 -2.240 -8.939 7.583 1.00 0.00 C ATOM 447 CG1 ILE A 30 -2.550 -8.788 6.072 1.00 0.00 C ATOM 448 CG2 ILE A 30 -3.555 -8.894 8.384 1.00 0.00 C ATOM 449 CD1 ILE A 30 -3.414 -9.910 5.484 1.00 0.00 C ATOM 0 H ILE A 30 0.587 -8.736 7.621 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.752 -6.895 7.821 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.759 -9.901 7.757 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.055 -7.836 5.911 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.609 -8.746 5.524 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.223 -9.679 8.030 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.342 -9.048 9.442 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.031 -7.923 8.247 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.581 -9.723 4.423 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.904 -10.865 5.608 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.373 -9.941 6.002 1.00 0.00 H new ATOM 600 N LEU A 39 -6.278 -5.373 9.836 1.00 0.00 N ATOM 601 CA LEU A 39 -5.603 -4.249 9.176 1.00 0.00 C ATOM 602 C LEU A 39 -4.413 -4.731 8.332 1.00 0.00 C ATOM 603 O LEU A 39 -3.569 -5.488 8.815 1.00 0.00 O ATOM 604 CB LEU A 39 -5.119 -3.227 10.228 1.00 0.00 C ATOM 605 CG LEU A 39 -6.218 -2.576 11.096 1.00 0.00 C ATOM 606 CD1 LEU A 39 -5.562 -1.730 12.192 1.00 0.00 C ATOM 607 CD2 LEU A 39 -7.155 -1.685 10.271 1.00 0.00 C ATOM 0 HA LEU A 39 -6.322 -3.771 8.511 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -4.409 -3.724 10.889 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.574 -2.436 9.713 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.815 -3.379 11.530 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.335 -1.269 12.807 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.934 -2.366 12.815 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.950 -0.953 11.734 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.911 -1.249 10.924 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.579 -0.888 9.801 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.642 -2.284 9.501 1.00 0.00 H new ATOM 619 N THR A 40 -4.314 -4.222 7.102 1.00 0.00 N ATOM 620 CA THR A 40 -3.183 -4.379 6.178 1.00 0.00 C ATOM 621 C THR A 40 -2.199 -3.247 6.440 1.00 0.00 C ATOM 622 O THR A 40 -2.562 -2.080 6.307 1.00 0.00 O ATOM 623 CB THR A 40 -3.698 -4.353 4.736 1.00 0.00 C ATOM 624 OG1 THR A 40 -4.428 -5.535 4.561 1.00 0.00 O ATOM 625 CG2 THR A 40 -2.587 -4.362 3.684 1.00 0.00 C ATOM 0 H THR A 40 -5.062 -3.657 6.699 1.00 0.00 H new ATOM 0 HA THR A 40 -2.677 -5.332 6.332 1.00 0.00 H new ATOM 0 HB THR A 40 -4.271 -3.436 4.599 1.00 0.00 H new ATOM 0 HG1 THR A 40 -5.216 -5.522 5.144 1.00 0.00 H new ATOM 0 HG21 THR A 40 -3.029 -4.342 2.688 1.00 0.00 H new ATOM 0 HG22 THR A 40 -1.953 -3.485 3.817 1.00 0.00 H new ATOM 0 HG23 THR A 40 -1.986 -5.265 3.797 1.00 0.00 H new ATOM 633 N THR A 41 -0.972 -3.584 6.838 1.00 0.00 N ATOM 634 CA THR A 41 0.095 -2.654 7.228 1.00 0.00 C ATOM 635 C THR A 41 1.116 -2.528 6.106 1.00 0.00 C ATOM 636 O THR A 41 1.778 -3.496 5.742 1.00 0.00 O ATOM 637 CB THR A 41 0.744 -3.077 8.556 1.00 0.00 C ATOM 638 OG1 THR A 41 0.710 -4.481 8.732 1.00 0.00 O ATOM 639 CG2 THR A 41 -0.030 -2.449 9.714 1.00 0.00 C ATOM 0 H THR A 41 -0.678 -4.559 6.901 1.00 0.00 H new ATOM 0 HA THR A 41 -0.342 -1.669 7.394 1.00 0.00 H new ATOM 0 HB THR A 41 1.782 -2.744 8.536 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.132 -4.714 9.585 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.425 -2.745 10.659 1.00 0.00 H new ATOM 0 HG22 THR A 41 -0.003 -1.363 9.623 1.00 0.00 H new ATOM 0 HG23 THR A 41 -1.065 -2.790 9.687 1.00 0.00 H new ATOM 647 N VAL A 42 1.230 -1.323 5.552 1.00 0.00 N ATOM 648 CA VAL A 42 2.134 -0.994 4.435 1.00 0.00 C ATOM 649 C VAL A 42 3.376 -0.283 4.974 1.00 0.00 C ATOM 650 O VAL A 42 3.264 0.723 5.675 1.00 0.00 O ATOM 651 CB VAL A 42 1.456 -0.111 3.366 1.00 0.00 C ATOM 652 CG1 VAL A 42 2.352 0.032 2.121 1.00 0.00 C ATOM 653 CG2 VAL A 42 0.087 -0.666 2.944 1.00 0.00 C ATOM 0 H VAL A 42 0.685 -0.522 5.871 1.00 0.00 H new ATOM 0 HA VAL A 42 2.411 -1.932 3.954 1.00 0.00 H new ATOM 0 HB VAL A 42 1.305 0.868 3.821 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.852 0.659 1.383 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.299 0.491 2.405 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.540 -0.953 1.693 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.354 -0.013 2.191 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.212 -1.666 2.529 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.570 -0.713 3.812 1.00 0.00 H new ATOM 663 N GLN A 43 4.547 -0.808 4.622 1.00 0.00 N ATOM 664 CA GLN A 43 5.869 -0.397 5.097 1.00 0.00 C ATOM 665 C GLN A 43 6.849 -0.322 3.909 1.00 0.00 C ATOM 666 O GLN A 43 6.622 -0.926 2.863 1.00 0.00 O ATOM 667 CB GLN A 43 6.299 -1.447 6.146 1.00 0.00 C ATOM 668 CG GLN A 43 7.715 -1.287 6.728 1.00 0.00 C ATOM 669 CD GLN A 43 8.083 -2.452 7.645 1.00 0.00 C ATOM 670 OE1 GLN A 43 8.129 -3.606 7.239 1.00 0.00 O ATOM 671 NE2 GLN A 43 8.357 -2.216 8.908 1.00 0.00 N ATOM 0 H GLN A 43 4.603 -1.579 3.957 1.00 0.00 H new ATOM 0 HA GLN A 43 5.857 0.595 5.550 1.00 0.00 H new ATOM 0 HB2 GLN A 43 5.585 -1.421 6.969 1.00 0.00 H new ATOM 0 HB3 GLN A 43 6.225 -2.435 5.692 1.00 0.00 H new ATOM 0 HG2 GLN A 43 8.438 -1.222 5.915 1.00 0.00 H new ATOM 0 HG3 GLN A 43 7.776 -0.352 7.285 1.00 0.00 H new ATOM 0 HE21 GLN A 43 8.325 -1.262 9.267 1.00 0.00 H new ATOM 0 HE22 GLN A 43 8.602 -2.987 9.529 1.00 0.00 H new ATOM 680 N GLY A 44 7.947 0.434 4.031 1.00 0.00 N ATOM 681 CA GLY A 44 9.068 0.405 3.073 1.00 0.00 C ATOM 682 C GLY A 44 8.854 1.164 1.758 1.00 0.00 C ATOM 683 O GLY A 44 9.799 1.299 0.986 1.00 0.00 O ATOM 0 H GLY A 44 8.087 1.088 4.801 1.00 0.00 H new ATOM 0 HA2 GLY A 44 9.950 0.814 3.565 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.289 -0.636 2.836 1.00 0.00 H new ATOM 687 N VAL A 45 7.647 1.682 1.508 1.00 0.00 N ATOM 688 CA VAL A 45 7.344 2.583 0.377 1.00 0.00 C ATOM 689 C VAL A 45 8.320 3.781 0.362 1.00 0.00 C ATOM 690 O VAL A 45 8.523 4.389 1.417 1.00 0.00 O ATOM 691 CB VAL A 45 5.859 3.028 0.357 1.00 0.00 C ATOM 692 CG1 VAL A 45 5.422 3.831 1.592 1.00 0.00 C ATOM 693 CG2 VAL A 45 5.532 3.832 -0.910 1.00 0.00 C ATOM 0 H VAL A 45 6.835 1.487 2.093 1.00 0.00 H new ATOM 0 HA VAL A 45 7.494 2.021 -0.545 1.00 0.00 H new ATOM 0 HB VAL A 45 5.294 2.096 0.367 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.371 4.102 1.496 1.00 0.00 H new ATOM 0 HG12 VAL A 45 5.561 3.225 2.488 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.024 4.736 1.669 1.00 0.00 H new ATOM 0 HG21 VAL A 45 4.483 4.128 -0.892 1.00 0.00 H new ATOM 0 HG22 VAL A 45 6.160 4.722 -0.948 1.00 0.00 H new ATOM 0 HG23 VAL A 45 5.720 3.217 -1.790 1.00 0.00 H new ATOM 703 N PRO A 46 8.946 4.114 -0.790 1.00 0.00 N ATOM 704 CA PRO A 46 9.877 5.231 -0.918 1.00 0.00 C ATOM 705 C PRO A 46 9.300 6.551 -0.400 1.00 0.00 C ATOM 706 O PRO A 46 8.147 6.881 -0.669 1.00 0.00 O ATOM 707 CB PRO A 46 10.217 5.314 -2.408 1.00 0.00 C ATOM 708 CG PRO A 46 10.095 3.867 -2.869 1.00 0.00 C ATOM 709 CD PRO A 46 8.917 3.361 -2.039 1.00 0.00 C ATOM 0 HA PRO A 46 10.763 5.062 -0.306 1.00 0.00 H new ATOM 0 HB2 PRO A 46 9.528 5.967 -2.943 1.00 0.00 H new ATOM 0 HB3 PRO A 46 11.221 5.706 -2.572 1.00 0.00 H new ATOM 0 HG2 PRO A 46 9.899 3.796 -3.939 1.00 0.00 H new ATOM 0 HG3 PRO A 46 11.005 3.299 -2.673 1.00 0.00 H new ATOM 0 HD2 PRO A 46 7.975 3.516 -2.565 1.00 0.00 H new ATOM 0 HD3 PRO A 46 9.005 2.291 -1.851 1.00 0.00 H new ATOM 717 N GLU A 47 10.114 7.314 0.334 1.00 0.00 N ATOM 718 CA GLU A 47 9.684 8.527 1.045 1.00 0.00 C ATOM 719 C GLU A 47 9.281 9.687 0.105 1.00 0.00 C ATOM 720 O GLU A 47 8.617 10.635 0.532 1.00 0.00 O ATOM 721 CB GLU A 47 10.809 8.933 2.017 1.00 0.00 C ATOM 722 CG GLU A 47 10.378 9.946 3.086 1.00 0.00 C ATOM 723 CD GLU A 47 11.473 10.125 4.148 1.00 0.00 C ATOM 724 OE1 GLU A 47 11.512 9.335 5.123 1.00 0.00 O ATOM 725 OE2 GLU A 47 12.299 11.060 4.025 1.00 0.00 O ATOM 0 H GLU A 47 11.105 7.106 0.455 1.00 0.00 H new ATOM 0 HA GLU A 47 8.772 8.301 1.597 1.00 0.00 H new ATOM 0 HB2 GLU A 47 11.188 8.038 2.511 1.00 0.00 H new ATOM 0 HB3 GLU A 47 11.635 9.355 1.444 1.00 0.00 H new ATOM 0 HG2 GLU A 47 10.161 10.906 2.616 1.00 0.00 H new ATOM 0 HG3 GLU A 47 9.457 9.609 3.561 1.00 0.00 H new ATOM 732 N GLU A 48 9.629 9.599 -1.186 1.00 0.00 N ATOM 733 CA GLU A 48 9.176 10.528 -2.229 1.00 0.00 C ATOM 734 C GLU A 48 7.666 10.408 -2.536 1.00 0.00 C ATOM 735 O GLU A 48 7.073 11.344 -3.078 1.00 0.00 O ATOM 736 CB GLU A 48 10.019 10.347 -3.503 1.00 0.00 C ATOM 737 CG GLU A 48 9.860 8.979 -4.185 1.00 0.00 C ATOM 738 CD GLU A 48 10.725 8.899 -5.453 1.00 0.00 C ATOM 739 OE1 GLU A 48 10.300 9.415 -6.514 1.00 0.00 O ATOM 740 OE2 GLU A 48 11.835 8.322 -5.397 1.00 0.00 O ATOM 0 H GLU A 48 10.244 8.867 -1.541 1.00 0.00 H new ATOM 0 HA GLU A 48 9.323 11.537 -1.843 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.750 11.127 -4.215 1.00 0.00 H new ATOM 0 HB3 GLU A 48 11.070 10.493 -3.252 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.146 8.187 -3.493 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.814 8.815 -4.442 1.00 0.00 H new ATOM 747 N TYR A 49 7.027 9.286 -2.178 1.00 0.00 N ATOM 748 CA TYR A 49 5.578 9.092 -2.264 1.00 0.00 C ATOM 749 C TYR A 49 4.883 9.532 -0.963 1.00 0.00 C ATOM 750 O TYR A 49 5.189 9.040 0.126 1.00 0.00 O ATOM 751 CB TYR A 49 5.265 7.623 -2.579 1.00 0.00 C ATOM 752 CG TYR A 49 5.829 7.135 -3.901 1.00 0.00 C ATOM 753 CD1 TYR A 49 5.272 7.590 -5.111 1.00 0.00 C ATOM 754 CD2 TYR A 49 6.909 6.230 -3.925 1.00 0.00 C ATOM 755 CE1 TYR A 49 5.782 7.136 -6.345 1.00 0.00 C ATOM 756 CE2 TYR A 49 7.425 5.776 -5.153 1.00 0.00 C ATOM 757 CZ TYR A 49 6.856 6.218 -6.369 1.00 0.00 C ATOM 758 OH TYR A 49 7.343 5.755 -7.553 1.00 0.00 O ATOM 0 H TYR A 49 7.518 8.470 -1.812 1.00 0.00 H new ATOM 0 HA TYR A 49 5.192 9.715 -3.071 1.00 0.00 H new ATOM 0 HB2 TYR A 49 5.659 6.999 -1.777 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.183 7.487 -2.586 1.00 0.00 H new ATOM 0 HD1 TYR A 49 4.450 8.290 -5.094 1.00 0.00 H new ATOM 0 HD2 TYR A 49 7.342 5.884 -2.998 1.00 0.00 H new ATOM 0 HE1 TYR A 49 5.352 7.490 -7.271 1.00 0.00 H new ATOM 0 HE2 TYR A 49 8.258 5.088 -5.166 1.00 0.00 H new ATOM 0 HH TYR A 49 8.081 5.133 -7.382 1.00 0.00 H new ATOM 768 N ASP A 50 3.921 10.452 -1.075 1.00 0.00 N ATOM 769 CA ASP A 50 3.158 10.980 0.058 1.00 0.00 C ATOM 770 C ASP A 50 2.120 9.964 0.563 1.00 0.00 C ATOM 771 O ASP A 50 1.212 9.565 -0.168 1.00 0.00 O ATOM 772 CB ASP A 50 2.505 12.307 -0.361 1.00 0.00 C ATOM 773 CG ASP A 50 1.607 12.909 0.727 1.00 0.00 C ATOM 774 OD1 ASP A 50 1.910 12.738 1.930 1.00 0.00 O ATOM 775 OD2 ASP A 50 0.591 13.543 0.362 1.00 0.00 O ATOM 0 H ASP A 50 3.646 10.857 -1.970 1.00 0.00 H new ATOM 0 HA ASP A 50 3.832 11.164 0.894 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.285 13.024 -0.616 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.914 12.145 -1.262 1.00 0.00 H new ATOM 780 N LEU A 51 2.229 9.571 1.836 1.00 0.00 N ATOM 781 CA LEU A 51 1.336 8.589 2.461 1.00 0.00 C ATOM 782 C LEU A 51 -0.124 9.068 2.465 1.00 0.00 C ATOM 783 O LEU A 51 -1.032 8.297 2.169 1.00 0.00 O ATOM 784 CB LEU A 51 1.819 8.291 3.893 1.00 0.00 C ATOM 785 CG LEU A 51 3.274 7.796 4.051 1.00 0.00 C ATOM 786 CD1 LEU A 51 3.510 7.450 5.528 1.00 0.00 C ATOM 787 CD2 LEU A 51 3.617 6.576 3.182 1.00 0.00 C ATOM 0 H LEU A 51 2.946 9.928 2.468 1.00 0.00 H new ATOM 0 HA LEU A 51 1.368 7.672 1.872 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.703 9.198 4.486 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.157 7.541 4.325 1.00 0.00 H new ATOM 0 HG LEU A 51 3.925 8.602 3.712 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.533 7.098 5.660 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.350 8.338 6.140 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.815 6.668 5.834 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.655 6.290 3.350 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.964 5.745 3.448 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.475 6.827 2.131 1.00 0.00 H new ATOM 799 N LYS A 52 -0.353 10.361 2.709 1.00 0.00 N ATOM 800 CA LYS A 52 -1.676 11.001 2.648 1.00 0.00 C ATOM 801 C LYS A 52 -2.309 10.889 1.245 1.00 0.00 C ATOM 802 O LYS A 52 -3.512 10.642 1.133 1.00 0.00 O ATOM 803 CB LYS A 52 -1.545 12.474 3.084 1.00 0.00 C ATOM 804 CG LYS A 52 -1.011 12.663 4.518 1.00 0.00 C ATOM 805 CD LYS A 52 -0.678 14.132 4.833 1.00 0.00 C ATOM 806 CE LYS A 52 0.556 14.604 4.048 1.00 0.00 C ATOM 807 NZ LYS A 52 0.898 16.023 4.317 1.00 0.00 N ATOM 0 H LYS A 52 0.392 11.010 2.961 1.00 0.00 H new ATOM 0 HA LYS A 52 -2.346 10.478 3.331 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.881 12.989 2.390 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.521 12.953 3.006 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.753 12.301 5.229 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.117 12.054 4.653 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.532 14.762 4.586 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.497 14.245 5.902 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.408 13.974 4.305 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.374 14.474 2.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.737 16.289 3.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.098 16.630 4.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.099 16.146 5.330 1.00 0.00 H new ATOM 821 N ARG A 53 -1.507 10.977 0.172 1.00 0.00 N ATOM 822 CA ARG A 53 -1.957 10.742 -1.211 1.00 0.00 C ATOM 823 C ARG A 53 -2.291 9.264 -1.465 1.00 0.00 C ATOM 824 O ARG A 53 -3.286 8.976 -2.129 1.00 0.00 O ATOM 825 CB ARG A 53 -0.901 11.269 -2.205 1.00 0.00 C ATOM 826 CG ARG A 53 -1.317 11.200 -3.685 1.00 0.00 C ATOM 827 CD ARG A 53 -2.529 12.081 -4.018 1.00 0.00 C ATOM 828 NE ARG A 53 -2.855 12.012 -5.454 1.00 0.00 N ATOM 829 CZ ARG A 53 -3.741 12.764 -6.098 1.00 0.00 C ATOM 830 NH1 ARG A 53 -4.444 13.697 -5.486 1.00 0.00 N ATOM 831 NH2 ARG A 53 -3.931 12.587 -7.386 1.00 0.00 N ATOM 0 H ARG A 53 -0.518 11.216 0.240 1.00 0.00 H new ATOM 0 HA ARG A 53 -2.884 11.295 -1.366 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -0.672 12.305 -1.955 1.00 0.00 H new ATOM 0 HB3 ARG A 53 0.018 10.698 -2.073 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -0.474 11.504 -4.306 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.547 10.166 -3.943 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -3.389 11.759 -3.431 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.320 13.114 -3.738 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.351 11.319 -6.007 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -4.316 13.859 -4.487 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.116 14.256 -6.011 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.399 11.875 -7.887 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.610 13.162 -7.885 1.00 0.00 H new ATOM 845 N ILE A 54 -1.540 8.321 -0.882 1.00 0.00 N ATOM 846 CA ILE A 54 -1.874 6.881 -0.929 1.00 0.00 C ATOM 847 C ILE A 54 -3.272 6.666 -0.331 1.00 0.00 C ATOM 848 O ILE A 54 -4.120 6.082 -1.006 1.00 0.00 O ATOM 849 CB ILE A 54 -0.760 6.019 -0.279 1.00 0.00 C ATOM 850 CG1 ILE A 54 0.562 6.179 -1.070 1.00 0.00 C ATOM 851 CG2 ILE A 54 -1.204 4.546 -0.218 1.00 0.00 C ATOM 852 CD1 ILE A 54 1.777 5.483 -0.446 1.00 0.00 C ATOM 0 H ILE A 54 -0.686 8.528 -0.365 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.915 6.539 -1.963 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.585 6.360 0.741 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.415 5.788 -2.077 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.782 7.242 -1.170 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.416 3.947 0.240 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.114 4.465 0.377 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.397 4.182 -1.227 1.00 0.00 H new ATOM 0 HD11 ILE A 54 2.654 5.652 -1.071 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.957 5.889 0.549 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.585 4.413 -0.372 1.00 0.00 H new ATOM 864 N LEU A 55 -3.578 7.243 0.843 1.00 0.00 N ATOM 865 CA LEU A 55 -4.932 7.209 1.412 1.00 0.00 C ATOM 866 C LEU A 55 -5.971 7.790 0.438 1.00 0.00 C ATOM 867 O LEU A 55 -7.008 7.177 0.202 1.00 0.00 O ATOM 868 CB LEU A 55 -5.021 7.971 2.753 1.00 0.00 C ATOM 869 CG LEU A 55 -3.971 7.710 3.852 1.00 0.00 C ATOM 870 CD1 LEU A 55 -4.484 8.299 5.174 1.00 0.00 C ATOM 871 CD2 LEU A 55 -3.614 6.233 4.043 1.00 0.00 C ATOM 0 H LEU A 55 -2.899 7.741 1.419 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.154 6.157 1.592 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.995 9.036 2.524 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.001 7.761 3.182 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.049 8.195 3.530 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.750 8.121 5.960 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.639 9.372 5.058 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.427 7.823 5.443 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.870 6.138 4.834 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.509 5.675 4.318 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.209 5.833 3.113 1.00 0.00 H new ATOM 883 N LYS A 56 -5.692 8.950 -0.169 1.00 0.00 N ATOM 884 CA LYS A 56 -6.613 9.651 -1.061 1.00 0.00 C ATOM 885 C LYS A 56 -6.973 8.830 -2.310 1.00 0.00 C ATOM 886 O LYS A 56 -8.113 8.895 -2.768 1.00 0.00 O ATOM 887 CB LYS A 56 -5.952 10.999 -1.405 1.00 0.00 C ATOM 888 CG LYS A 56 -6.857 12.000 -2.125 1.00 0.00 C ATOM 889 CD LYS A 56 -8.073 12.413 -1.280 1.00 0.00 C ATOM 890 CE LYS A 56 -8.789 13.652 -1.841 1.00 0.00 C ATOM 891 NZ LYS A 56 -9.438 13.400 -3.156 1.00 0.00 N ATOM 0 H LYS A 56 -4.802 9.434 -0.049 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.571 9.812 -0.567 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -5.593 11.456 -0.483 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -5.078 10.809 -2.028 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.279 12.888 -2.381 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -7.202 11.563 -3.062 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -8.777 11.582 -1.232 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -7.749 12.616 -0.259 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -9.543 13.984 -1.127 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -8.070 14.464 -1.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -9.905 14.269 -3.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -8.718 13.110 -3.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -10.145 12.644 -3.055 1.00 0.00 H new ATOM 905 N VAL A 57 -6.041 8.026 -2.828 1.00 0.00 N ATOM 906 CA VAL A 57 -6.312 7.087 -3.933 1.00 0.00 C ATOM 907 C VAL A 57 -7.095 5.863 -3.439 1.00 0.00 C ATOM 908 O VAL A 57 -8.121 5.527 -4.026 1.00 0.00 O ATOM 909 CB VAL A 57 -5.025 6.637 -4.661 1.00 0.00 C ATOM 910 CG1 VAL A 57 -5.357 5.659 -5.804 1.00 0.00 C ATOM 911 CG2 VAL A 57 -4.284 7.848 -5.247 1.00 0.00 C ATOM 0 H VAL A 57 -5.076 8.003 -2.497 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.921 7.631 -4.655 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.390 6.138 -3.929 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.436 5.356 -6.302 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.856 4.780 -5.397 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.014 6.149 -6.523 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.381 7.511 -5.755 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.931 8.361 -5.959 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.014 8.533 -4.443 1.00 0.00 H new ATOM 921 N LEU A 58 -6.641 5.203 -2.368 1.00 0.00 N ATOM 922 CA LEU A 58 -7.214 3.926 -1.914 1.00 0.00 C ATOM 923 C LEU A 58 -8.646 4.058 -1.368 1.00 0.00 C ATOM 924 O LEU A 58 -9.470 3.167 -1.581 1.00 0.00 O ATOM 925 CB LEU A 58 -6.258 3.280 -0.892 1.00 0.00 C ATOM 926 CG LEU A 58 -4.870 2.897 -1.458 1.00 0.00 C ATOM 927 CD1 LEU A 58 -4.001 2.314 -0.339 1.00 0.00 C ATOM 928 CD2 LEU A 58 -4.955 1.894 -2.616 1.00 0.00 C ATOM 0 H LEU A 58 -5.868 5.536 -1.791 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.310 3.273 -2.781 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.118 3.969 -0.059 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.731 2.384 -0.488 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.423 3.809 -1.854 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.024 2.045 -0.740 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.878 3.056 0.450 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.482 1.426 0.070 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.951 1.663 -2.972 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.437 0.979 -2.270 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.538 2.326 -3.430 1.00 0.00 H new ATOM 940 N LYS A 59 -8.997 5.175 -0.727 1.00 0.00 N ATOM 941 CA LYS A 59 -10.372 5.414 -0.262 1.00 0.00 C ATOM 942 C LYS A 59 -11.367 5.715 -1.401 1.00 0.00 C ATOM 943 O LYS A 59 -12.561 5.454 -1.252 1.00 0.00 O ATOM 944 CB LYS A 59 -10.385 6.529 0.796 1.00 0.00 C ATOM 945 CG LYS A 59 -9.605 6.131 2.059 1.00 0.00 C ATOM 946 CD LYS A 59 -9.919 7.081 3.224 1.00 0.00 C ATOM 947 CE LYS A 59 -8.909 6.875 4.358 1.00 0.00 C ATOM 948 NZ LYS A 59 -9.372 7.472 5.639 1.00 0.00 N ATOM 0 H LYS A 59 -8.348 5.933 -0.516 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.717 4.483 0.188 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -9.952 7.436 0.373 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.415 6.763 1.064 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -9.859 5.109 2.340 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -8.535 6.148 1.850 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -9.885 8.115 2.880 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.930 6.899 3.589 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -8.736 5.808 4.498 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -7.954 7.319 4.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -8.580 7.506 6.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -9.722 8.436 5.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -10.139 6.892 6.035 1.00 0.00 H new ATOM 962 N LYS A 60 -10.899 6.239 -2.541 1.00 0.00 N ATOM 963 CA LYS A 60 -11.742 6.589 -3.697 1.00 0.00 C ATOM 964 C LYS A 60 -11.820 5.480 -4.762 1.00 0.00 C ATOM 965 O LYS A 60 -12.917 5.127 -5.200 1.00 0.00 O ATOM 966 CB LYS A 60 -11.227 7.908 -4.307 1.00 0.00 C ATOM 967 CG LYS A 60 -11.376 9.136 -3.385 1.00 0.00 C ATOM 968 CD LYS A 60 -12.816 9.493 -2.976 1.00 0.00 C ATOM 969 CE LYS A 60 -13.723 9.764 -4.187 1.00 0.00 C ATOM 970 NZ LYS A 60 -15.089 10.177 -3.773 1.00 0.00 N ATOM 0 H LYS A 60 -9.909 6.436 -2.691 1.00 0.00 H new ATOM 0 HA LYS A 60 -12.763 6.711 -3.336 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -10.175 7.788 -4.566 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -11.764 8.099 -5.236 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -10.794 8.961 -2.480 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.936 9.998 -3.885 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -13.236 8.677 -2.387 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -12.800 10.374 -2.334 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -13.279 10.544 -4.806 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -13.786 8.866 -4.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -15.670 10.351 -4.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -15.522 9.422 -3.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -15.032 11.048 -3.207 1.00 0.00 H new ATOM 984 N ASP A 61 -10.682 4.923 -5.184 1.00 0.00 N ATOM 985 CA ASP A 61 -10.595 3.973 -6.306 1.00 0.00 C ATOM 986 C ASP A 61 -10.905 2.523 -5.892 1.00 0.00 C ATOM 987 O ASP A 61 -11.585 1.805 -6.627 1.00 0.00 O ATOM 988 CB ASP A 61 -9.198 4.072 -6.937 1.00 0.00 C ATOM 989 CG ASP A 61 -9.128 3.328 -8.280 1.00 0.00 C ATOM 990 OD1 ASP A 61 -9.745 3.807 -9.260 1.00 0.00 O ATOM 991 OD2 ASP A 61 -8.444 2.280 -8.357 1.00 0.00 O ATOM 0 H ASP A 61 -9.779 5.120 -4.752 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.358 4.246 -7.035 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -8.940 5.120 -7.088 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -8.459 3.657 -6.252 1.00 0.00 H new ATOM 996 N PHE A 62 -10.446 2.109 -4.704 1.00 0.00 N ATOM 997 CA PHE A 62 -10.677 0.775 -4.133 1.00 0.00 C ATOM 998 C PHE A 62 -11.838 0.747 -3.120 1.00 0.00 C ATOM 999 O PHE A 62 -12.257 -0.337 -2.708 1.00 0.00 O ATOM 1000 CB PHE A 62 -9.382 0.288 -3.464 1.00 0.00 C ATOM 1001 CG PHE A 62 -8.219 0.020 -4.399 1.00 0.00 C ATOM 1002 CD1 PHE A 62 -7.438 1.081 -4.893 1.00 0.00 C ATOM 1003 CD2 PHE A 62 -7.876 -1.305 -4.725 1.00 0.00 C ATOM 1004 CE1 PHE A 62 -6.317 0.819 -5.697 1.00 0.00 C ATOM 1005 CE2 PHE A 62 -6.745 -1.568 -5.515 1.00 0.00 C ATOM 1006 CZ PHE A 62 -5.963 -0.507 -6.000 1.00 0.00 C ATOM 0 H PHE A 62 -9.888 2.709 -4.096 1.00 0.00 H new ATOM 0 HA PHE A 62 -10.963 0.111 -4.949 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -9.071 1.033 -2.731 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -9.601 -0.628 -2.914 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.702 2.100 -4.653 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -8.484 -2.122 -4.367 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -5.726 1.637 -6.083 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -6.476 -2.587 -5.750 1.00 0.00 H new ATOM 0 HZ PHE A 62 -5.091 -0.710 -6.605 1.00 0.00 H new ATOM 1016 N ALA A 63 -12.341 1.922 -2.707 1.00 0.00 N ATOM 1017 CA ALA A 63 -13.403 2.114 -1.708 1.00 0.00 C ATOM 1018 C ALA A 63 -13.003 1.626 -0.292 1.00 0.00 C ATOM 1019 O ALA A 63 -13.861 1.240 0.507 1.00 0.00 O ATOM 1020 CB ALA A 63 -14.727 1.524 -2.229 1.00 0.00 C ATOM 0 H ALA A 63 -12.000 2.808 -3.080 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.559 3.184 -1.573 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -15.509 1.670 -1.484 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -15.010 2.026 -3.154 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -14.601 0.458 -2.418 1.00 0.00 H new ATOM 1026 N CYS A 64 -11.698 1.619 0.017 1.00 0.00 N ATOM 1027 CA CYS A 64 -11.148 1.184 1.306 1.00 0.00 C ATOM 1028 C CYS A 64 -11.281 2.272 2.396 1.00 0.00 C ATOM 1029 O CYS A 64 -11.842 3.346 2.167 1.00 0.00 O ATOM 1030 CB CYS A 64 -9.682 0.761 1.076 1.00 0.00 C ATOM 1031 SG CYS A 64 -9.606 -0.723 0.029 1.00 0.00 S ATOM 0 H CYS A 64 -10.979 1.923 -0.640 1.00 0.00 H new ATOM 0 HA CYS A 64 -11.720 0.336 1.683 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -9.132 1.575 0.604 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -9.200 0.563 2.033 1.00 0.00 H new ATOM 0 HG CYS A 64 -8.364 -1.061 -0.155 1.00 0.00 H new ATOM 1037 N ASN A 65 -10.716 2.009 3.577 1.00 0.00 N ATOM 1038 CA ASN A 65 -10.535 2.994 4.649 1.00 0.00 C ATOM 1039 C ASN A 65 -9.202 2.727 5.369 1.00 0.00 C ATOM 1040 O ASN A 65 -8.737 1.585 5.392 1.00 0.00 O ATOM 1041 CB ASN A 65 -11.747 2.983 5.599 1.00 0.00 C ATOM 1042 CG ASN A 65 -11.799 4.201 6.524 1.00 0.00 C ATOM 1043 OD1 ASN A 65 -11.082 5.184 6.355 1.00 0.00 O ATOM 1044 ND2 ASN A 65 -12.654 4.173 7.528 1.00 0.00 N ATOM 0 H ASN A 65 -10.363 1.084 3.821 1.00 0.00 H new ATOM 0 HA ASN A 65 -10.483 3.999 4.231 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -12.663 2.944 5.009 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -11.718 2.077 6.204 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -12.720 4.968 8.164 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -13.249 3.357 7.668 1.00 0.00 H new ATOM 1051 N GLY A 66 -8.568 3.764 5.923 1.00 0.00 N ATOM 1052 CA GLY A 66 -7.196 3.698 6.436 1.00 0.00 C ATOM 1053 C GLY A 66 -6.685 4.954 7.130 1.00 0.00 C ATOM 1054 O GLY A 66 -7.347 5.992 7.135 1.00 0.00 O ATOM 0 H GLY A 66 -8.997 4.683 6.029 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.130 2.866 7.137 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -6.529 3.468 5.605 1.00 0.00 H new ATOM 1058 N ASN A 67 -5.486 4.836 7.704 1.00 0.00 N ATOM 1059 CA ASN A 67 -4.784 5.894 8.446 1.00 0.00 C ATOM 1060 C ASN A 67 -3.259 5.649 8.519 1.00 0.00 C ATOM 1061 O ASN A 67 -2.783 4.551 8.229 1.00 0.00 O ATOM 1062 CB ASN A 67 -5.415 6.082 9.843 1.00 0.00 C ATOM 1063 CG ASN A 67 -4.955 5.055 10.879 1.00 0.00 C ATOM 1064 OD1 ASN A 67 -4.231 5.381 11.808 1.00 0.00 O ATOM 1065 ND2 ASN A 67 -5.342 3.799 10.750 1.00 0.00 N ATOM 0 H ASN A 67 -4.953 3.967 7.665 1.00 0.00 H new ATOM 0 HA ASN A 67 -4.908 6.826 7.895 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -5.176 7.081 10.207 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -6.500 6.028 9.750 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -5.037 3.099 11.426 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -5.946 3.529 9.974 1.00 0.00 H new ATOM 1072 N ILE A 68 -2.481 6.664 8.911 1.00 0.00 N ATOM 1073 CA ILE A 68 -1.012 6.593 9.071 1.00 0.00 C ATOM 1074 C ILE A 68 -0.659 6.473 10.562 1.00 0.00 C ATOM 1075 O ILE A 68 -1.200 7.219 11.379 1.00 0.00 O ATOM 1076 CB ILE A 68 -0.349 7.843 8.437 1.00 0.00 C ATOM 1077 CG1 ILE A 68 -0.651 7.933 6.922 1.00 0.00 C ATOM 1078 CG2 ILE A 68 1.180 7.835 8.649 1.00 0.00 C ATOM 1079 CD1 ILE A 68 -0.530 9.360 6.373 1.00 0.00 C ATOM 0 H ILE A 68 -2.859 7.585 9.133 1.00 0.00 H new ATOM 0 HA ILE A 68 -0.631 5.711 8.556 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.774 8.713 8.937 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.035 7.281 6.381 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.658 7.561 6.735 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.615 8.724 8.193 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.399 7.830 9.717 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.607 6.945 8.187 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.753 9.360 5.306 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.235 10.010 6.891 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.484 9.726 6.531 1.00 0.00 H new ATOM 1091 N VAL A 69 0.264 5.570 10.910 1.00 0.00 N ATOM 1092 CA VAL A 69 0.759 5.351 12.285 1.00 0.00 C ATOM 1093 C VAL A 69 2.286 5.271 12.272 1.00 0.00 C ATOM 1094 O VAL A 69 2.859 4.658 11.378 1.00 0.00 O ATOM 1095 CB VAL A 69 0.179 4.049 12.896 1.00 0.00 C ATOM 1096 CG1 VAL A 69 0.695 3.779 14.322 1.00 0.00 C ATOM 1097 CG2 VAL A 69 -1.357 4.086 12.938 1.00 0.00 C ATOM 0 H VAL A 69 0.703 4.951 10.228 1.00 0.00 H new ATOM 0 HA VAL A 69 0.432 6.190 12.900 1.00 0.00 H new ATOM 0 HB VAL A 69 0.518 3.245 12.243 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.256 2.855 14.699 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.781 3.684 14.304 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.414 4.607 14.973 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.732 3.159 13.372 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.684 4.929 13.546 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.746 4.196 11.926 1.00 0.00 H new ATOM 1209 N ILE A 77 4.017 3.769 8.945 1.00 0.00 N ATOM 1210 CA ILE A 77 3.222 2.792 8.188 1.00 0.00 C ATOM 1211 C ILE A 77 1.794 3.282 7.932 1.00 0.00 C ATOM 1212 O ILE A 77 1.206 4.004 8.744 1.00 0.00 O ATOM 1213 CB ILE A 77 3.173 1.416 8.912 1.00 0.00 C ATOM 1214 CG1 ILE A 77 2.657 1.506 10.369 1.00 0.00 C ATOM 1215 CG2 ILE A 77 4.537 0.709 8.838 1.00 0.00 C ATOM 1216 CD1 ILE A 77 2.525 0.154 11.078 1.00 0.00 C ATOM 0 HA ILE A 77 3.722 2.673 7.227 1.00 0.00 H new ATOM 0 HB ILE A 77 2.441 0.811 8.377 1.00 0.00 H new ATOM 0 HG12 ILE A 77 3.334 2.139 10.943 1.00 0.00 H new ATOM 0 HG13 ILE A 77 1.685 1.998 10.367 1.00 0.00 H new ATOM 0 HG21 ILE A 77 4.478 -0.251 9.351 1.00 0.00 H new ATOM 0 HG22 ILE A 77 4.806 0.546 7.794 1.00 0.00 H new ATOM 0 HG23 ILE A 77 5.295 1.330 9.316 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.158 0.309 12.092 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.824 -0.477 10.531 1.00 0.00 H new ATOM 0 HD13 ILE A 77 3.499 -0.334 11.115 1.00 0.00 H new ATOM 1228 N ILE A 78 1.213 2.850 6.809 1.00 0.00 N ATOM 1229 CA ILE A 78 -0.224 2.989 6.527 1.00 0.00 C ATOM 1230 C ILE A 78 -0.924 1.707 6.975 1.00 0.00 C ATOM 1231 O ILE A 78 -0.454 0.608 6.671 1.00 0.00 O ATOM 1232 CB ILE A 78 -0.483 3.258 5.027 1.00 0.00 C ATOM 1233 CG1 ILE A 78 0.092 4.629 4.610 1.00 0.00 C ATOM 1234 CG2 ILE A 78 -1.991 3.173 4.694 1.00 0.00 C ATOM 1235 CD1 ILE A 78 0.265 4.731 3.093 1.00 0.00 C ATOM 0 H ILE A 78 1.730 2.389 6.060 1.00 0.00 H new ATOM 0 HA ILE A 78 -0.620 3.845 7.074 1.00 0.00 H new ATOM 0 HB ILE A 78 0.029 2.483 4.456 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -0.571 5.422 4.955 1.00 0.00 H new ATOM 0 HG13 ILE A 78 1.055 4.784 5.098 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -2.141 3.367 3.632 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -2.362 2.177 4.937 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.535 3.915 5.278 1.00 0.00 H new ATOM 0 HD11 ILE A 78 0.672 5.710 2.838 1.00 0.00 H new ATOM 0 HD12 ILE A 78 0.949 3.954 2.752 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -0.702 4.602 2.607 1.00 0.00 H new ATOM 1247 N GLN A 79 -2.052 1.852 7.661 1.00 0.00 N ATOM 1248 CA GLN A 79 -2.996 0.786 7.970 1.00 0.00 C ATOM 1249 C GLN A 79 -4.203 0.952 7.037 1.00 0.00 C ATOM 1250 O GLN A 79 -4.762 2.046 6.962 1.00 0.00 O ATOM 1251 CB GLN A 79 -3.465 0.920 9.426 1.00 0.00 C ATOM 1252 CG GLN A 79 -2.357 0.689 10.466 1.00 0.00 C ATOM 1253 CD GLN A 79 -2.827 0.934 11.903 1.00 0.00 C ATOM 1254 OE1 GLN A 79 -3.821 1.599 12.173 1.00 0.00 O ATOM 1255 NE2 GLN A 79 -2.129 0.401 12.886 1.00 0.00 N ATOM 0 H GLN A 79 -2.346 2.755 8.033 1.00 0.00 H new ATOM 0 HA GLN A 79 -2.529 -0.189 7.835 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -3.883 1.916 9.572 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -4.270 0.207 9.604 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -1.991 -0.334 10.378 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -1.517 1.348 10.247 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -1.299 -0.155 12.679 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -2.419 0.545 13.853 1.00 0.00 H new ATOM 1264 N LEU A 80 -4.625 -0.118 6.356 1.00 0.00 N ATOM 1265 CA LEU A 80 -5.839 -0.176 5.533 1.00 0.00 C ATOM 1266 C LEU A 80 -6.756 -1.279 6.083 1.00 0.00 C ATOM 1267 O LEU A 80 -6.267 -2.333 6.482 1.00 0.00 O ATOM 1268 CB LEU A 80 -5.427 -0.451 4.066 1.00 0.00 C ATOM 1269 CG LEU A 80 -6.352 0.145 2.990 1.00 0.00 C ATOM 1270 CD1 LEU A 80 -6.258 1.680 2.954 1.00 0.00 C ATOM 1271 CD2 LEU A 80 -5.947 -0.396 1.610 1.00 0.00 C ATOM 0 H LEU A 80 -4.113 -1.000 6.362 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.385 0.767 5.565 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.421 -0.060 3.911 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.376 -1.530 3.918 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.375 -0.141 3.236 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.924 2.067 2.183 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.550 2.085 3.923 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.233 1.977 2.731 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.602 0.026 0.847 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.915 -0.116 1.398 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.036 -1.482 1.605 1.00 0.00 H new ATOM 1283 N GLN A 81 -8.071 -1.073 6.129 1.00 0.00 N ATOM 1284 CA GLN A 81 -9.004 -2.062 6.689 1.00 0.00 C ATOM 1285 C GLN A 81 -9.124 -3.299 5.785 1.00 0.00 C ATOM 1286 O GLN A 81 -9.313 -3.174 4.574 1.00 0.00 O ATOM 1287 CB GLN A 81 -10.376 -1.422 6.967 1.00 0.00 C ATOM 1288 CG GLN A 81 -10.314 -0.421 8.138 1.00 0.00 C ATOM 1289 CD GLN A 81 -11.678 0.117 8.587 1.00 0.00 C ATOM 1290 OE1 GLN A 81 -12.742 -0.424 8.308 1.00 0.00 O ATOM 1291 NE2 GLN A 81 -11.702 1.206 9.328 1.00 0.00 N ATOM 0 H GLN A 81 -8.521 -0.225 5.784 1.00 0.00 H new ATOM 0 HA GLN A 81 -8.599 -2.404 7.641 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -10.727 -0.911 6.070 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -11.102 -2.203 7.194 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -9.831 -0.904 8.987 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -9.684 0.420 7.848 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -10.830 1.675 9.574 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -12.592 1.580 9.656 1.00 0.00 H new ATOM 1300 N GLY A 82 -9.033 -4.495 6.384 1.00 0.00 N ATOM 1301 CA GLY A 82 -9.082 -5.801 5.713 1.00 0.00 C ATOM 1302 C GLY A 82 -7.700 -6.385 5.405 1.00 0.00 C ATOM 1303 O GLY A 82 -6.713 -6.075 6.071 1.00 0.00 O ATOM 0 H GLY A 82 -8.918 -4.582 7.394 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -9.632 -6.502 6.341 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.641 -5.701 4.782 1.00 0.00 H new ATOM 1307 N ASP A 83 -7.649 -7.268 4.404 1.00 0.00 N ATOM 1308 CA ASP A 83 -6.495 -8.080 3.978 1.00 0.00 C ATOM 1309 C ASP A 83 -6.042 -7.718 2.541 1.00 0.00 C ATOM 1310 O ASP A 83 -5.828 -8.575 1.685 1.00 0.00 O ATOM 1311 CB ASP A 83 -6.856 -9.570 4.152 1.00 0.00 C ATOM 1312 CG ASP A 83 -7.917 -10.109 3.169 1.00 0.00 C ATOM 1313 OD1 ASP A 83 -9.002 -9.490 3.040 1.00 0.00 O ATOM 1314 OD2 ASP A 83 -7.666 -11.176 2.558 1.00 0.00 O ATOM 0 H ASP A 83 -8.469 -7.451 3.826 1.00 0.00 H new ATOM 0 HA ASP A 83 -5.630 -7.864 4.605 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -5.948 -10.163 4.042 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.215 -9.724 5.169 1.00 0.00 H new ATOM 1319 N GLN A 84 -5.900 -6.415 2.281 1.00 0.00 N ATOM 1320 CA GLN A 84 -5.737 -5.765 0.972 1.00 0.00 C ATOM 1321 C GLN A 84 -4.355 -5.903 0.310 1.00 0.00 C ATOM 1322 O GLN A 84 -3.969 -5.076 -0.521 1.00 0.00 O ATOM 1323 CB GLN A 84 -6.180 -4.290 1.090 1.00 0.00 C ATOM 1324 CG GLN A 84 -7.461 -4.033 1.910 1.00 0.00 C ATOM 1325 CD GLN A 84 -8.693 -4.849 1.510 1.00 0.00 C ATOM 1326 OE1 GLN A 84 -8.751 -5.553 0.509 1.00 0.00 O ATOM 1327 NE2 GLN A 84 -9.737 -4.778 2.299 1.00 0.00 N ATOM 0 H GLN A 84 -5.895 -5.731 3.038 1.00 0.00 H new ATOM 0 HA GLN A 84 -6.381 -6.310 0.282 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -5.365 -3.721 1.538 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -6.330 -3.895 0.085 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -7.243 -4.234 2.959 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -7.711 -2.975 1.833 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -9.705 -4.196 3.136 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -10.582 -5.304 2.076 1.00 0.00 H new ATOM 1336 N ARG A 85 -3.606 -6.953 0.651 1.00 0.00 N ATOM 1337 CA ARG A 85 -2.216 -7.149 0.244 1.00 0.00 C ATOM 1338 C ARG A 85 -2.004 -7.161 -1.278 1.00 0.00 C ATOM 1339 O ARG A 85 -1.148 -6.436 -1.789 1.00 0.00 O ATOM 1340 CB ARG A 85 -1.651 -8.383 0.966 1.00 0.00 C ATOM 1341 CG ARG A 85 -2.368 -9.702 0.616 1.00 0.00 C ATOM 1342 CD ARG A 85 -2.073 -10.798 1.645 1.00 0.00 C ATOM 1343 NE ARG A 85 -2.767 -12.064 1.331 1.00 0.00 N ATOM 1344 CZ ARG A 85 -4.063 -12.331 1.484 1.00 0.00 C ATOM 1345 NH1 ARG A 85 -4.936 -11.412 1.835 1.00 0.00 N ATOM 1346 NH2 ARG A 85 -4.510 -13.551 1.279 1.00 0.00 N ATOM 0 H ARG A 85 -3.961 -7.711 1.234 1.00 0.00 H new ATOM 0 HA ARG A 85 -1.642 -6.277 0.556 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -0.593 -8.481 0.721 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -1.715 -8.222 2.042 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -3.443 -9.530 0.566 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -2.053 -10.036 -0.372 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -0.998 -10.976 1.685 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -2.377 -10.456 2.634 1.00 0.00 H new ATOM 0 HE ARG A 85 -2.190 -12.817 0.956 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -4.629 -10.454 2.001 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -5.920 -11.658 1.941 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -3.864 -14.291 1.003 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -5.502 -13.757 1.396 1.00 0.00 H new ATOM 1360 N ALA A 86 -2.827 -7.908 -2.019 1.00 0.00 N ATOM 1361 CA ALA A 86 -2.803 -7.943 -3.484 1.00 0.00 C ATOM 1362 C ALA A 86 -3.315 -6.628 -4.099 1.00 0.00 C ATOM 1363 O ALA A 86 -2.747 -6.131 -5.072 1.00 0.00 O ATOM 1364 CB ALA A 86 -3.636 -9.149 -3.939 1.00 0.00 C ATOM 0 H ALA A 86 -3.539 -8.514 -1.612 1.00 0.00 H new ATOM 0 HA ALA A 86 -1.776 -8.049 -3.834 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -3.636 -9.201 -5.028 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.204 -10.064 -3.532 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -4.660 -9.040 -3.581 1.00 0.00 H new ATOM 1370 N LYS A 87 -4.348 -6.024 -3.500 1.00 0.00 N ATOM 1371 CA LYS A 87 -4.931 -4.759 -3.965 1.00 0.00 C ATOM 1372 C LYS A 87 -3.934 -3.594 -3.854 1.00 0.00 C ATOM 1373 O LYS A 87 -3.746 -2.850 -4.816 1.00 0.00 O ATOM 1374 CB LYS A 87 -6.224 -4.466 -3.183 1.00 0.00 C ATOM 1375 CG LYS A 87 -7.314 -5.532 -3.382 1.00 0.00 C ATOM 1376 CD LYS A 87 -8.666 -5.015 -2.864 1.00 0.00 C ATOM 1377 CE LYS A 87 -9.757 -6.097 -2.825 1.00 0.00 C ATOM 1378 NZ LYS A 87 -9.524 -7.093 -1.746 1.00 0.00 N ATOM 0 H LYS A 87 -4.807 -6.403 -2.672 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.173 -4.861 -5.023 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -5.989 -4.392 -2.121 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -6.614 -3.496 -3.491 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.395 -5.786 -4.439 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -7.040 -6.445 -2.854 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -8.532 -4.608 -1.862 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -9.001 -4.194 -3.499 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -10.729 -5.625 -2.678 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -9.793 -6.608 -3.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -10.406 -7.609 -1.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -8.788 -7.764 -2.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -9.214 -6.603 -0.882 1.00 0.00 H new ATOM 1392 N VAL A 88 -3.238 -3.466 -2.720 1.00 0.00 N ATOM 1393 CA VAL A 88 -2.212 -2.426 -2.522 1.00 0.00 C ATOM 1394 C VAL A 88 -0.968 -2.696 -3.382 1.00 0.00 C ATOM 1395 O VAL A 88 -0.409 -1.751 -3.936 1.00 0.00 O ATOM 1396 CB VAL A 88 -1.852 -2.250 -1.031 1.00 0.00 C ATOM 1397 CG1 VAL A 88 -0.690 -1.261 -0.822 1.00 0.00 C ATOM 1398 CG2 VAL A 88 -3.078 -1.724 -0.266 1.00 0.00 C ATOM 0 H VAL A 88 -3.366 -4.076 -1.913 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.640 -1.481 -2.857 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.542 -3.226 -0.658 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.475 -1.172 0.243 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.196 -1.626 -1.342 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.967 -0.285 -1.219 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.824 -1.600 0.787 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.382 -0.763 -0.682 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.898 -2.436 -0.360 1.00 0.00 H new ATOM 1408 N CYS A 89 -0.572 -3.962 -3.581 1.00 0.00 N ATOM 1409 CA CYS A 89 0.474 -4.326 -4.545 1.00 0.00 C ATOM 1410 C CYS A 89 0.130 -3.817 -5.960 1.00 0.00 C ATOM 1411 O CYS A 89 0.927 -3.113 -6.585 1.00 0.00 O ATOM 1412 CB CYS A 89 0.654 -5.850 -4.480 1.00 0.00 C ATOM 1413 SG CYS A 89 2.032 -6.375 -5.536 1.00 0.00 S ATOM 0 H CYS A 89 -0.966 -4.758 -3.080 1.00 0.00 H new ATOM 0 HA CYS A 89 1.420 -3.847 -4.292 1.00 0.00 H new ATOM 0 HB2 CYS A 89 0.840 -6.156 -3.451 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -0.264 -6.344 -4.798 1.00 0.00 H new ATOM 0 HG CYS A 89 2.167 -7.666 -5.464 1.00 0.00 H new ATOM 1419 N GLU A 90 -1.095 -4.078 -6.421 1.00 0.00 N ATOM 1420 CA GLU A 90 -1.601 -3.593 -7.702 1.00 0.00 C ATOM 1421 C GLU A 90 -1.638 -2.055 -7.787 1.00 0.00 C ATOM 1422 O GLU A 90 -1.270 -1.513 -8.829 1.00 0.00 O ATOM 1423 CB GLU A 90 -2.980 -4.219 -7.967 1.00 0.00 C ATOM 1424 CG GLU A 90 -3.436 -3.989 -9.410 1.00 0.00 C ATOM 1425 CD GLU A 90 -4.727 -4.764 -9.713 1.00 0.00 C ATOM 1426 OE1 GLU A 90 -5.834 -4.231 -9.461 1.00 0.00 O ATOM 1427 OE2 GLU A 90 -4.644 -5.909 -10.217 1.00 0.00 O ATOM 0 H GLU A 90 -1.772 -4.641 -5.905 1.00 0.00 H new ATOM 0 HA GLU A 90 -0.909 -3.905 -8.484 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -2.939 -5.289 -7.764 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -3.712 -3.792 -7.281 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -3.600 -2.924 -9.577 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -2.650 -4.303 -10.097 1.00 0.00 H new ATOM 1434 N PHE A 91 -1.992 -1.333 -6.712 1.00 0.00 N ATOM 1435 CA PHE A 91 -1.959 0.137 -6.681 1.00 0.00 C ATOM 1436 C PHE A 91 -0.542 0.675 -6.928 1.00 0.00 C ATOM 1437 O PHE A 91 -0.349 1.554 -7.769 1.00 0.00 O ATOM 1438 CB PHE A 91 -2.506 0.640 -5.331 1.00 0.00 C ATOM 1439 CG PHE A 91 -2.067 2.047 -4.976 1.00 0.00 C ATOM 1440 CD1 PHE A 91 -2.545 3.150 -5.707 1.00 0.00 C ATOM 1441 CD2 PHE A 91 -1.098 2.242 -3.974 1.00 0.00 C ATOM 1442 CE1 PHE A 91 -2.038 4.436 -5.448 1.00 0.00 C ATOM 1443 CE2 PHE A 91 -0.602 3.529 -3.711 1.00 0.00 C ATOM 1444 CZ PHE A 91 -1.079 4.629 -4.443 1.00 0.00 C ATOM 0 H PHE A 91 -2.310 -1.753 -5.839 1.00 0.00 H new ATOM 0 HA PHE A 91 -2.591 0.511 -7.486 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -3.595 0.605 -5.356 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -2.183 -0.040 -4.543 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -3.300 3.009 -6.466 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -0.735 1.399 -3.405 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -2.389 5.279 -6.026 1.00 0.00 H new ATOM 0 HE2 PHE A 91 0.146 3.673 -2.946 1.00 0.00 H new ATOM 0 HZ PHE A 91 -0.708 5.621 -4.232 1.00 0.00 H new ATOM 1454 N MET A 92 0.449 0.128 -6.216 1.00 0.00 N ATOM 1455 CA MET A 92 1.859 0.523 -6.322 1.00 0.00 C ATOM 1456 C MET A 92 2.373 0.311 -7.754 1.00 0.00 C ATOM 1457 O MET A 92 3.004 1.197 -8.332 1.00 0.00 O ATOM 1458 CB MET A 92 2.676 -0.299 -5.306 1.00 0.00 C ATOM 1459 CG MET A 92 2.279 -0.047 -3.844 1.00 0.00 C ATOM 1460 SD MET A 92 3.002 1.398 -3.035 1.00 0.00 S ATOM 1461 CE MET A 92 1.887 1.457 -1.608 1.00 0.00 C ATOM 0 H MET A 92 0.291 -0.616 -5.537 1.00 0.00 H new ATOM 0 HA MET A 92 1.967 1.584 -6.096 1.00 0.00 H new ATOM 0 HB2 MET A 92 2.554 -1.359 -5.528 1.00 0.00 H new ATOM 0 HB3 MET A 92 3.734 -0.067 -5.431 1.00 0.00 H new ATOM 0 HG2 MET A 92 1.194 0.047 -3.799 1.00 0.00 H new ATOM 0 HG3 MET A 92 2.547 -0.930 -3.263 1.00 0.00 H new ATOM 0 HE1 MET A 92 2.293 2.134 -0.857 1.00 0.00 H new ATOM 0 HE2 MET A 92 0.907 1.813 -1.926 1.00 0.00 H new ATOM 0 HE3 MET A 92 1.789 0.459 -1.181 1.00 0.00 H new ATOM 1471 N ILE A 93 2.054 -0.835 -8.363 1.00 0.00 N ATOM 1472 CA ILE A 93 2.465 -1.173 -9.739 1.00 0.00 C ATOM 1473 C ILE A 93 1.726 -0.316 -10.780 1.00 0.00 C ATOM 1474 O ILE A 93 2.342 0.203 -11.708 1.00 0.00 O ATOM 1475 CB ILE A 93 2.280 -2.693 -9.981 1.00 0.00 C ATOM 1476 CG1 ILE A 93 3.152 -3.527 -9.013 1.00 0.00 C ATOM 1477 CG2 ILE A 93 2.640 -3.084 -11.428 1.00 0.00 C ATOM 1478 CD1 ILE A 93 2.709 -4.992 -8.915 1.00 0.00 C ATOM 0 H ILE A 93 1.499 -1.564 -7.915 1.00 0.00 H new ATOM 0 HA ILE A 93 3.523 -0.939 -9.859 1.00 0.00 H new ATOM 0 HB ILE A 93 1.227 -2.909 -9.801 1.00 0.00 H new ATOM 0 HG12 ILE A 93 4.190 -3.489 -9.344 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.117 -3.076 -8.021 1.00 0.00 H new ATOM 0 HG21 ILE A 93 2.498 -4.157 -11.561 1.00 0.00 H new ATOM 0 HG22 ILE A 93 1.996 -2.544 -12.122 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.681 -2.828 -11.626 1.00 0.00 H new ATOM 0 HD11 ILE A 93 3.360 -5.523 -8.221 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.681 -5.038 -8.556 1.00 0.00 H new ATOM 0 HD13 ILE A 93 2.771 -5.457 -9.899 1.00 0.00 H new ATOM 1490 N SER A 94 0.412 -0.142 -10.636 1.00 0.00 N ATOM 1491 CA SER A 94 -0.443 0.519 -11.632 1.00 0.00 C ATOM 1492 C SER A 94 -0.365 2.056 -11.596 1.00 0.00 C ATOM 1493 O SER A 94 -0.204 2.696 -12.638 1.00 0.00 O ATOM 1494 CB SER A 94 -1.899 0.078 -11.402 1.00 0.00 C ATOM 1495 OG SER A 94 -2.808 0.710 -12.294 1.00 0.00 O ATOM 0 H SER A 94 -0.100 -0.460 -9.813 1.00 0.00 H new ATOM 0 HA SER A 94 -0.080 0.216 -12.614 1.00 0.00 H new ATOM 0 HB2 SER A 94 -1.971 -1.003 -11.521 1.00 0.00 H new ATOM 0 HB3 SER A 94 -2.186 0.305 -10.375 1.00 0.00 H new ATOM 0 HG SER A 94 -3.718 0.397 -12.110 1.00 0.00 H new ATOM 1501 N GLN A 95 -0.496 2.661 -10.410 1.00 0.00 N ATOM 1502 CA GLN A 95 -0.683 4.109 -10.259 1.00 0.00 C ATOM 1503 C GLN A 95 0.619 4.853 -9.934 1.00 0.00 C ATOM 1504 O GLN A 95 0.811 5.965 -10.429 1.00 0.00 O ATOM 1505 CB GLN A 95 -1.743 4.374 -9.175 1.00 0.00 C ATOM 1506 CG GLN A 95 -3.119 3.742 -9.468 1.00 0.00 C ATOM 1507 CD GLN A 95 -3.748 4.257 -10.768 1.00 0.00 C ATOM 1508 OE1 GLN A 95 -4.207 5.388 -10.858 1.00 0.00 O ATOM 1509 NE2 GLN A 95 -3.779 3.475 -11.828 1.00 0.00 N ATOM 0 H GLN A 95 -0.475 2.157 -9.523 1.00 0.00 H new ATOM 0 HA GLN A 95 -1.022 4.498 -11.219 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -1.376 3.992 -8.223 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -1.867 5.451 -9.060 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -3.010 2.659 -9.527 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -3.793 3.950 -8.637 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -3.402 2.529 -11.775 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -4.180 3.816 -12.702 1.00 0.00 H new ATOM 1518 N LEU A 96 1.524 4.255 -9.147 1.00 0.00 N ATOM 1519 CA LEU A 96 2.849 4.833 -8.870 1.00 0.00 C ATOM 1520 C LEU A 96 3.905 4.410 -9.908 1.00 0.00 C ATOM 1521 O LEU A 96 4.982 5.009 -9.967 1.00 0.00 O ATOM 1522 CB LEU A 96 3.308 4.475 -7.443 1.00 0.00 C ATOM 1523 CG LEU A 96 2.292 4.782 -6.320 1.00 0.00 C ATOM 1524 CD1 LEU A 96 2.923 4.448 -4.961 1.00 0.00 C ATOM 1525 CD2 LEU A 96 1.836 6.250 -6.322 1.00 0.00 C ATOM 0 H LEU A 96 1.360 3.360 -8.685 1.00 0.00 H new ATOM 0 HA LEU A 96 2.749 5.916 -8.947 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.546 3.412 -7.413 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.231 5.014 -7.231 1.00 0.00 H new ATOM 0 HG LEU A 96 1.410 4.167 -6.500 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.209 4.663 -4.166 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.189 3.391 -4.933 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.819 5.052 -4.818 1.00 0.00 H new ATOM 0 HD21 LEU A 96 1.123 6.411 -5.513 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.700 6.899 -6.179 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.361 6.482 -7.275 1.00 0.00 H new ATOM 1537 N GLY A 97 3.607 3.392 -10.727 1.00 0.00 N ATOM 1538 CA GLY A 97 4.487 2.885 -11.787 1.00 0.00 C ATOM 1539 C GLY A 97 5.628 2.002 -11.274 1.00 0.00 C ATOM 1540 O GLY A 97 6.614 1.816 -11.992 1.00 0.00 O ATOM 0 H GLY A 97 2.724 2.886 -10.668 1.00 0.00 H new ATOM 0 HA2 GLY A 97 3.891 2.315 -12.499 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.910 3.730 -12.330 1.00 0.00 H new ATOM 1544 N LEU A 98 5.534 1.489 -10.041 1.00 0.00 N ATOM 1545 CA LEU A 98 6.589 0.701 -9.398 1.00 0.00 C ATOM 1546 C LEU A 98 6.735 -0.689 -10.042 1.00 0.00 C ATOM 1547 O LEU A 98 5.782 -1.238 -10.600 1.00 0.00 O ATOM 1548 CB LEU A 98 6.320 0.615 -7.882 1.00 0.00 C ATOM 1549 CG LEU A 98 6.543 1.965 -7.162 1.00 0.00 C ATOM 1550 CD1 LEU A 98 5.784 1.986 -5.833 1.00 0.00 C ATOM 1551 CD2 LEU A 98 8.041 2.197 -6.906 1.00 0.00 C ATOM 0 H LEU A 98 4.709 1.613 -9.454 1.00 0.00 H new ATOM 0 HA LEU A 98 7.544 1.204 -9.548 1.00 0.00 H new ATOM 0 HB2 LEU A 98 5.295 0.284 -7.717 1.00 0.00 H new ATOM 0 HB3 LEU A 98 6.973 -0.139 -7.443 1.00 0.00 H new ATOM 0 HG LEU A 98 6.167 2.763 -7.803 1.00 0.00 H new ATOM 0 HD11 LEU A 98 5.949 2.942 -5.335 1.00 0.00 H new ATOM 0 HD12 LEU A 98 4.718 1.853 -6.020 1.00 0.00 H new ATOM 0 HD13 LEU A 98 6.144 1.178 -5.196 1.00 0.00 H new ATOM 0 HD21 LEU A 98 8.180 3.152 -6.399 1.00 0.00 H new ATOM 0 HD22 LEU A 98 8.432 1.394 -6.281 1.00 0.00 H new ATOM 0 HD23 LEU A 98 8.575 2.210 -7.856 1.00 0.00 H new ATOM 1563 N GLN A 99 7.929 -1.275 -9.958 1.00 0.00 N ATOM 1564 CA GLN A 99 8.191 -2.624 -10.474 1.00 0.00 C ATOM 1565 C GLN A 99 7.677 -3.684 -9.487 1.00 0.00 C ATOM 1566 O GLN A 99 7.900 -3.577 -8.281 1.00 0.00 O ATOM 1567 CB GLN A 99 9.695 -2.823 -10.736 1.00 0.00 C ATOM 1568 CG GLN A 99 10.255 -1.923 -11.850 1.00 0.00 C ATOM 1569 CD GLN A 99 11.743 -2.192 -12.089 1.00 0.00 C ATOM 1570 OE1 GLN A 99 12.132 -3.134 -12.770 1.00 0.00 O ATOM 1571 NE2 GLN A 99 12.637 -1.407 -11.522 1.00 0.00 N ATOM 0 H GLN A 99 8.742 -0.831 -9.532 1.00 0.00 H new ATOM 0 HA GLN A 99 7.659 -2.739 -11.418 1.00 0.00 H new ATOM 0 HB2 GLN A 99 10.244 -2.629 -9.814 1.00 0.00 H new ATOM 0 HB3 GLN A 99 9.874 -3.865 -11.000 1.00 0.00 H new ATOM 0 HG2 GLN A 99 9.700 -2.095 -12.772 1.00 0.00 H new ATOM 0 HG3 GLN A 99 10.111 -0.876 -11.581 1.00 0.00 H new ATOM 0 HE21 GLN A 99 12.334 -0.618 -10.951 1.00 0.00 H new ATOM 0 HE22 GLN A 99 13.632 -1.589 -11.654 1.00 0.00 H new ATOM 1580 N LYS A 100 7.036 -4.745 -9.993 1.00 0.00 N ATOM 1581 CA LYS A 100 6.491 -5.837 -9.165 1.00 0.00 C ATOM 1582 C LYS A 100 7.554 -6.478 -8.247 1.00 0.00 C ATOM 1583 O LYS A 100 7.292 -6.764 -7.077 1.00 0.00 O ATOM 1584 CB LYS A 100 5.831 -6.862 -10.096 1.00 0.00 C ATOM 1585 CG LYS A 100 5.071 -7.900 -9.258 1.00 0.00 C ATOM 1586 CD LYS A 100 3.977 -8.608 -10.055 1.00 0.00 C ATOM 1587 CE LYS A 100 4.493 -9.548 -11.158 1.00 0.00 C ATOM 1588 NZ LYS A 100 5.165 -10.759 -10.615 1.00 0.00 N ATOM 0 H LYS A 100 6.878 -4.874 -10.992 1.00 0.00 H new ATOM 0 HA LYS A 100 5.745 -5.429 -8.483 1.00 0.00 H new ATOM 0 HB2 LYS A 100 5.147 -6.360 -10.780 1.00 0.00 H new ATOM 0 HB3 LYS A 100 6.588 -7.355 -10.706 1.00 0.00 H new ATOM 0 HG2 LYS A 100 5.775 -8.640 -8.877 1.00 0.00 H new ATOM 0 HG3 LYS A 100 4.626 -7.408 -8.393 1.00 0.00 H new ATOM 0 HD2 LYS A 100 3.359 -9.183 -9.366 1.00 0.00 H new ATOM 0 HD3 LYS A 100 3.333 -7.856 -10.510 1.00 0.00 H new ATOM 0 HE2 LYS A 100 3.658 -9.853 -11.789 1.00 0.00 H new ATOM 0 HE3 LYS A 100 5.192 -9.005 -11.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 5.492 -11.356 -11.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 5.979 -10.473 -10.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 4.494 -11.295 -10.029 1.00 0.00 H new ATOM 1602 N LYS A 101 8.782 -6.638 -8.756 1.00 0.00 N ATOM 1603 CA LYS A 101 9.942 -7.202 -8.041 1.00 0.00 C ATOM 1604 C LYS A 101 10.344 -6.435 -6.761 1.00 0.00 C ATOM 1605 O LYS A 101 10.980 -7.009 -5.878 1.00 0.00 O ATOM 1606 CB LYS A 101 11.108 -7.330 -9.038 1.00 0.00 C ATOM 1607 CG LYS A 101 11.740 -5.972 -9.392 1.00 0.00 C ATOM 1608 CD LYS A 101 12.681 -6.031 -10.598 1.00 0.00 C ATOM 1609 CE LYS A 101 11.934 -6.343 -11.904 1.00 0.00 C ATOM 1610 NZ LYS A 101 12.720 -5.934 -13.097 1.00 0.00 N ATOM 0 H LYS A 101 9.007 -6.369 -9.714 1.00 0.00 H new ATOM 0 HA LYS A 101 9.657 -8.185 -7.665 1.00 0.00 H new ATOM 0 HB2 LYS A 101 11.872 -7.982 -8.615 1.00 0.00 H new ATOM 0 HB3 LYS A 101 10.750 -7.808 -9.950 1.00 0.00 H new ATOM 0 HG2 LYS A 101 10.946 -5.253 -9.596 1.00 0.00 H new ATOM 0 HG3 LYS A 101 12.292 -5.601 -8.528 1.00 0.00 H new ATOM 0 HD2 LYS A 101 13.201 -5.078 -10.698 1.00 0.00 H new ATOM 0 HD3 LYS A 101 13.442 -6.793 -10.426 1.00 0.00 H new ATOM 0 HE2 LYS A 101 11.722 -7.411 -11.956 1.00 0.00 H new ATOM 0 HE3 LYS A 101 10.974 -5.827 -11.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 12.318 -6.378 -13.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 12.685 -4.899 -13.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 13.708 -6.238 -12.983 1.00 0.00 H new ATOM 1624 N ASN A 102 9.950 -5.161 -6.633 1.00 0.00 N ATOM 1625 CA ASN A 102 10.216 -4.326 -5.453 1.00 0.00 C ATOM 1626 C ASN A 102 9.202 -4.557 -4.311 1.00 0.00 C ATOM 1627 O ASN A 102 9.349 -3.963 -3.246 1.00 0.00 O ATOM 1628 CB ASN A 102 10.236 -2.835 -5.850 1.00 0.00 C ATOM 1629 CG ASN A 102 11.429 -2.419 -6.712 1.00 0.00 C ATOM 1630 OD1 ASN A 102 11.916 -3.148 -7.568 1.00 0.00 O ATOM 1631 ND2 ASN A 102 11.934 -1.213 -6.521 1.00 0.00 N ATOM 0 H ASN A 102 9.428 -4.672 -7.360 1.00 0.00 H new ATOM 0 HA ASN A 102 11.194 -4.621 -5.073 1.00 0.00 H new ATOM 0 HB2 ASN A 102 9.317 -2.604 -6.389 1.00 0.00 H new ATOM 0 HB3 ASN A 102 10.233 -2.231 -4.942 1.00 0.00 H new ATOM 0 HD21 ASN A 102 12.723 -0.895 -7.084 1.00 0.00 H new ATOM 0 HD22 ASN A 102 11.535 -0.600 -5.811 1.00 0.00 H new ATOM 1638 N ILE A 103 8.157 -5.375 -4.495 1.00 0.00 N ATOM 1639 CA ILE A 103 7.079 -5.550 -3.504 1.00 0.00 C ATOM 1640 C ILE A 103 7.115 -6.959 -2.900 1.00 0.00 C ATOM 1641 O ILE A 103 7.082 -7.967 -3.609 1.00 0.00 O ATOM 1642 CB ILE A 103 5.699 -5.212 -4.114 1.00 0.00 C ATOM 1643 CG1 ILE A 103 5.737 -3.827 -4.808 1.00 0.00 C ATOM 1644 CG2 ILE A 103 4.629 -5.244 -3.001 1.00 0.00 C ATOM 1645 CD1 ILE A 103 4.416 -3.410 -5.453 1.00 0.00 C ATOM 0 H ILE A 103 8.032 -5.937 -5.337 1.00 0.00 H new ATOM 0 HA ILE A 103 7.246 -4.846 -2.689 1.00 0.00 H new ATOM 0 HB ILE A 103 5.445 -5.954 -4.871 1.00 0.00 H new ATOM 0 HG12 ILE A 103 6.023 -3.074 -4.074 1.00 0.00 H new ATOM 0 HG13 ILE A 103 6.514 -3.838 -5.573 1.00 0.00 H new ATOM 0 HG21 ILE A 103 3.654 -5.006 -3.427 1.00 0.00 H new ATOM 0 HG22 ILE A 103 4.598 -6.238 -2.555 1.00 0.00 H new ATOM 0 HG23 ILE A 103 4.879 -4.510 -2.235 1.00 0.00 H new ATOM 0 HD11 ILE A 103 4.530 -2.430 -5.916 1.00 0.00 H new ATOM 0 HD12 ILE A 103 4.136 -4.139 -6.213 1.00 0.00 H new ATOM 0 HD13 ILE A 103 3.638 -3.363 -4.691 1.00 0.00 H new ATOM 1657 N LYS A 104 7.151 -7.015 -1.570 1.00 0.00 N ATOM 1658 CA LYS A 104 7.039 -8.217 -0.745 1.00 0.00 C ATOM 1659 C LYS A 104 5.653 -8.270 -0.077 1.00 0.00 C ATOM 1660 O LYS A 104 5.291 -7.381 0.698 1.00 0.00 O ATOM 1661 CB LYS A 104 8.143 -8.182 0.331 1.00 0.00 C ATOM 1662 CG LYS A 104 9.590 -8.277 -0.182 1.00 0.00 C ATOM 1663 CD LYS A 104 9.906 -9.646 -0.800 1.00 0.00 C ATOM 1664 CE LYS A 104 11.419 -9.780 -1.002 1.00 0.00 C ATOM 1665 NZ LYS A 104 11.788 -11.084 -1.614 1.00 0.00 N ATOM 0 H LYS A 104 7.266 -6.173 -1.006 1.00 0.00 H new ATOM 0 HA LYS A 104 7.157 -9.105 -1.367 1.00 0.00 H new ATOM 0 HB2 LYS A 104 8.040 -7.257 0.898 1.00 0.00 H new ATOM 0 HB3 LYS A 104 7.971 -9.003 1.026 1.00 0.00 H new ATOM 0 HG2 LYS A 104 9.760 -7.498 -0.926 1.00 0.00 H new ATOM 0 HG3 LYS A 104 10.277 -8.087 0.642 1.00 0.00 H new ATOM 0 HD2 LYS A 104 9.543 -10.442 -0.150 1.00 0.00 H new ATOM 0 HD3 LYS A 104 9.390 -9.754 -1.754 1.00 0.00 H new ATOM 0 HE2 LYS A 104 11.773 -8.968 -1.638 1.00 0.00 H new ATOM 0 HE3 LYS A 104 11.923 -9.675 -0.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 12.820 -11.132 -1.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 11.474 -11.859 -0.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 11.328 -11.174 -2.542 1.00 0.00 H new ATOM 1679 N ILE A 105 4.875 -9.322 -0.349 1.00 0.00 N ATOM 1680 CA ILE A 105 3.631 -9.628 0.382 1.00 0.00 C ATOM 1681 C ILE A 105 3.959 -10.660 1.468 1.00 0.00 C ATOM 1682 O ILE A 105 4.460 -11.745 1.167 1.00 0.00 O ATOM 1683 CB ILE A 105 2.521 -10.108 -0.586 1.00 0.00 C ATOM 1684 CG1 ILE A 105 2.054 -8.926 -1.471 1.00 0.00 C ATOM 1685 CG2 ILE A 105 1.346 -10.711 0.210 1.00 0.00 C ATOM 1686 CD1 ILE A 105 1.039 -9.312 -2.554 1.00 0.00 C ATOM 0 H ILE A 105 5.088 -9.993 -1.087 1.00 0.00 H new ATOM 0 HA ILE A 105 3.237 -8.731 0.859 1.00 0.00 H new ATOM 0 HB ILE A 105 2.917 -10.887 -1.237 1.00 0.00 H new ATOM 0 HG12 ILE A 105 1.613 -8.161 -0.832 1.00 0.00 H new ATOM 0 HG13 ILE A 105 2.925 -8.479 -1.949 1.00 0.00 H new ATOM 0 HG21 ILE A 105 0.572 -11.045 -0.481 1.00 0.00 H new ATOM 0 HG22 ILE A 105 1.700 -11.559 0.795 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.934 -9.955 0.879 1.00 0.00 H new ATOM 0 HD11 ILE A 105 0.765 -8.427 -3.128 1.00 0.00 H new ATOM 0 HD12 ILE A 105 1.481 -10.053 -3.220 1.00 0.00 H new ATOM 0 HD13 ILE A 105 0.148 -9.731 -2.085 1.00 0.00 H new