USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=9 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= 0.722 K(o=1.5,f=-2.3) USER MOD Set 1.2: A 101 LYS NZ :NH3+ -156:sc= 0.816 (180deg=0) USER MOD Set 2.1: A 94 SER OG : rot 180:sc= 0.544 USER MOD Set 2.2: A 95 GLN : amide:sc= 0.571 X(o=1.1,f=0.89) USER MOD Set 3.1: A 84 GLN : amide:sc= 1.92 K(o=2.8,f=-6.5!) USER MOD Set 3.2: A 87 LYS NZ :NH3+ -174:sc= 0.926 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 THR OG1 : rot 74:sc= 2.01 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 1.15 K(o=1.2,f=-5.4!) USER MOD Single : A 49 TYR OH : rot 150: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 59 LYS NZ :NH3+ 180:sc= 0.552 (180deg=0.552) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= 0.184 K(o=0.18,f=-5.6!) USER MOD Single : A 67 ASN : amide:sc= -0.103 X(o=-0.1,f=-0.1) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 89 CYS SG : rot 180:sc= -0.0263 USER MOD Single : A 92 MET CE :methyl 178:sc= 0 (180deg=-0.00378) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc=-0.00911 K(o=-0.0091,f=-2.1) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 363 N ILE A 26 9.139 -2.720 -0.728 1.00 0.00 N ATOM 364 CA ILE A 26 7.829 -2.386 -0.149 1.00 0.00 C ATOM 365 C ILE A 26 7.236 -3.667 0.434 1.00 0.00 C ATOM 366 O ILE A 26 6.994 -4.618 -0.300 1.00 0.00 O ATOM 367 CB ILE A 26 6.890 -1.761 -1.204 1.00 0.00 C ATOM 368 CG1 ILE A 26 7.595 -0.571 -1.892 1.00 0.00 C ATOM 369 CG2 ILE A 26 5.560 -1.357 -0.532 1.00 0.00 C ATOM 370 CD1 ILE A 26 6.692 0.306 -2.763 1.00 0.00 C ATOM 0 HA ILE A 26 7.948 -1.639 0.636 1.00 0.00 H new ATOM 0 HB ILE A 26 6.655 -2.487 -1.983 1.00 0.00 H new ATOM 0 HG12 ILE A 26 8.050 0.054 -1.124 1.00 0.00 H new ATOM 0 HG13 ILE A 26 8.405 -0.957 -2.510 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.896 -0.916 -1.275 1.00 0.00 H new ATOM 0 HG22 ILE A 26 5.087 -2.240 -0.102 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.757 -0.630 0.256 1.00 0.00 H new ATOM 0 HD11 ILE A 26 7.281 1.112 -3.201 1.00 0.00 H new ATOM 0 HD12 ILE A 26 6.256 -0.298 -3.559 1.00 0.00 H new ATOM 0 HD13 ILE A 26 5.896 0.729 -2.151 1.00 0.00 H new ATOM 382 N HIS A 27 6.997 -3.699 1.738 1.00 0.00 N ATOM 383 CA HIS A 27 6.447 -4.856 2.443 1.00 0.00 C ATOM 384 C HIS A 27 4.965 -4.614 2.768 1.00 0.00 C ATOM 385 O HIS A 27 4.636 -3.706 3.534 1.00 0.00 O ATOM 386 CB HIS A 27 7.273 -5.110 3.713 1.00 0.00 C ATOM 387 CG HIS A 27 8.744 -5.307 3.466 1.00 0.00 C ATOM 388 ND1 HIS A 27 9.349 -6.503 3.076 1.00 0.00 N ATOM 389 CD2 HIS A 27 9.701 -4.345 3.601 1.00 0.00 C ATOM 390 CE1 HIS A 27 10.661 -6.225 2.979 1.00 0.00 C ATOM 391 NE2 HIS A 27 10.902 -4.937 3.287 1.00 0.00 N ATOM 0 H HIS A 27 7.183 -2.906 2.351 1.00 0.00 H new ATOM 0 HA HIS A 27 6.504 -5.744 1.813 1.00 0.00 H new ATOM 0 HB2 HIS A 27 7.140 -4.269 4.393 1.00 0.00 H new ATOM 0 HB3 HIS A 27 6.880 -5.993 4.218 1.00 0.00 H new ATOM 0 HD2 HIS A 27 9.546 -3.318 3.897 1.00 0.00 H new ATOM 0 HE1 HIS A 27 11.419 -6.939 2.693 1.00 0.00 H new ATOM 0 HE2 HIS A 27 11.814 -4.481 3.287 1.00 0.00 H new ATOM 399 N ILE A 28 4.065 -5.416 2.193 1.00 0.00 N ATOM 400 CA ILE A 28 2.614 -5.324 2.433 1.00 0.00 C ATOM 401 C ILE A 28 2.199 -6.537 3.272 1.00 0.00 C ATOM 402 O ILE A 28 2.165 -7.668 2.779 1.00 0.00 O ATOM 403 CB ILE A 28 1.819 -5.189 1.110 1.00 0.00 C ATOM 404 CG1 ILE A 28 2.403 -4.086 0.192 1.00 0.00 C ATOM 405 CG2 ILE A 28 0.349 -4.870 1.458 1.00 0.00 C ATOM 406 CD1 ILE A 28 1.808 -4.084 -1.219 1.00 0.00 C ATOM 0 H ILE A 28 4.321 -6.157 1.540 1.00 0.00 H new ATOM 0 HA ILE A 28 2.377 -4.416 2.988 1.00 0.00 H new ATOM 0 HB ILE A 28 1.889 -6.128 0.560 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.230 -3.113 0.652 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.483 -4.218 0.122 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.229 -4.771 0.539 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -0.065 -5.677 2.062 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.302 -3.936 2.019 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.264 -3.286 -1.805 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.004 -5.043 -1.698 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.732 -3.922 -1.160 1.00 0.00 H new ATOM 418 N ARG A 29 1.958 -6.286 4.559 1.00 0.00 N ATOM 419 CA ARG A 29 1.744 -7.267 5.628 1.00 0.00 C ATOM 420 C ARG A 29 0.283 -7.249 6.103 1.00 0.00 C ATOM 421 O ARG A 29 -0.504 -6.395 5.694 1.00 0.00 O ATOM 422 CB ARG A 29 2.685 -6.935 6.809 1.00 0.00 C ATOM 423 CG ARG A 29 4.168 -6.765 6.427 1.00 0.00 C ATOM 424 CD ARG A 29 5.029 -6.480 7.666 1.00 0.00 C ATOM 425 NE ARG A 29 6.432 -6.210 7.302 1.00 0.00 N ATOM 426 CZ ARG A 29 7.370 -7.086 6.966 1.00 0.00 C ATOM 427 NH1 ARG A 29 7.149 -8.385 6.913 1.00 0.00 N ATOM 428 NH2 ARG A 29 8.566 -6.634 6.671 1.00 0.00 N ATOM 0 H ARG A 29 1.903 -5.329 4.907 1.00 0.00 H new ATOM 0 HA ARG A 29 1.963 -8.264 5.245 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.339 -6.017 7.283 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.605 -7.728 7.553 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.525 -7.668 5.932 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.271 -5.948 5.713 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.621 -5.624 8.204 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.986 -7.333 8.344 1.00 0.00 H new ATOM 0 HE ARG A 29 6.716 -5.230 7.309 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.225 -8.755 7.136 1.00 0.00 H new ATOM 0 HH12 ARG A 29 7.902 -9.020 6.649 1.00 0.00 H new ATOM 0 HH21 ARG A 29 8.755 -5.632 6.704 1.00 0.00 H new ATOM 0 HH22 ARG A 29 9.307 -7.284 6.409 1.00 0.00 H new ATOM 442 N ILE A 30 -0.091 -8.175 6.987 1.00 0.00 N ATOM 443 CA ILE A 30 -1.372 -8.170 7.719 1.00 0.00 C ATOM 444 C ILE A 30 -1.072 -8.165 9.230 1.00 0.00 C ATOM 445 O ILE A 30 -0.069 -8.728 9.676 1.00 0.00 O ATOM 446 CB ILE A 30 -2.255 -9.362 7.263 1.00 0.00 C ATOM 447 CG1 ILE A 30 -2.673 -9.200 5.780 1.00 0.00 C ATOM 448 CG2 ILE A 30 -3.511 -9.515 8.145 1.00 0.00 C ATOM 449 CD1 ILE A 30 -3.418 -10.414 5.202 1.00 0.00 C ATOM 0 H ILE A 30 0.499 -8.972 7.224 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.949 -7.273 7.496 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.654 -10.265 7.370 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.308 -8.319 5.687 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.782 -9.015 5.181 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.102 -10.360 7.793 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.211 -9.688 9.179 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.109 -8.605 8.088 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.675 -10.221 4.161 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.779 -11.295 5.260 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.329 -10.588 5.775 1.00 0.00 H new ATOM 600 N LEU A 39 -6.487 -5.784 9.555 1.00 0.00 N ATOM 601 CA LEU A 39 -5.745 -4.627 9.038 1.00 0.00 C ATOM 602 C LEU A 39 -4.580 -5.091 8.154 1.00 0.00 C ATOM 603 O LEU A 39 -3.822 -5.985 8.539 1.00 0.00 O ATOM 604 CB LEU A 39 -5.194 -3.764 10.193 1.00 0.00 C ATOM 605 CG LEU A 39 -6.234 -3.135 11.141 1.00 0.00 C ATOM 606 CD1 LEU A 39 -5.500 -2.453 12.305 1.00 0.00 C ATOM 607 CD2 LEU A 39 -7.118 -2.105 10.427 1.00 0.00 C ATOM 0 HA LEU A 39 -6.436 -4.027 8.446 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -4.520 -4.381 10.788 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.595 -2.961 9.763 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.883 -3.932 11.504 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.228 -2.005 12.981 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.909 -3.192 12.846 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.841 -1.677 11.915 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.835 -1.689 11.134 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.495 -1.304 10.029 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.653 -2.589 9.610 1.00 0.00 H new ATOM 619 N THR A 40 -4.414 -4.437 7.003 1.00 0.00 N ATOM 620 CA THR A 40 -3.256 -4.528 6.102 1.00 0.00 C ATOM 621 C THR A 40 -2.290 -3.406 6.461 1.00 0.00 C ATOM 622 O THR A 40 -2.733 -2.298 6.756 1.00 0.00 O ATOM 623 CB THR A 40 -3.730 -4.424 4.649 1.00 0.00 C ATOM 624 OG1 THR A 40 -4.481 -5.582 4.408 1.00 0.00 O ATOM 625 CG2 THR A 40 -2.605 -4.401 3.615 1.00 0.00 C ATOM 0 H THR A 40 -5.122 -3.792 6.652 1.00 0.00 H new ATOM 0 HA THR A 40 -2.745 -5.484 6.212 1.00 0.00 H new ATOM 0 HB THR A 40 -4.274 -3.485 4.542 1.00 0.00 H new ATOM 0 HG1 THR A 40 -5.349 -5.508 4.857 1.00 0.00 H new ATOM 0 HG21 THR A 40 -3.032 -4.326 2.615 1.00 0.00 H new ATOM 0 HG22 THR A 40 -1.959 -3.543 3.799 1.00 0.00 H new ATOM 0 HG23 THR A 40 -2.021 -5.318 3.692 1.00 0.00 H new ATOM 633 N THR A 41 -0.984 -3.672 6.446 1.00 0.00 N ATOM 634 CA THR A 41 0.068 -2.739 6.885 1.00 0.00 C ATOM 635 C THR A 41 1.138 -2.591 5.818 1.00 0.00 C ATOM 636 O THR A 41 1.786 -3.563 5.435 1.00 0.00 O ATOM 637 CB THR A 41 0.654 -3.150 8.246 1.00 0.00 C ATOM 638 OG1 THR A 41 0.587 -4.546 8.447 1.00 0.00 O ATOM 639 CG2 THR A 41 -0.164 -2.471 9.345 1.00 0.00 C ATOM 0 H THR A 41 -0.613 -4.565 6.121 1.00 0.00 H new ATOM 0 HA THR A 41 -0.386 -1.758 7.026 1.00 0.00 H new ATOM 0 HB THR A 41 1.701 -2.849 8.272 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.970 -4.769 9.321 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.235 -2.749 10.320 1.00 0.00 H new ATOM 0 HG22 THR A 41 -0.107 -1.389 9.225 1.00 0.00 H new ATOM 0 HG23 THR A 41 -1.204 -2.790 9.274 1.00 0.00 H new ATOM 647 N VAL A 42 1.306 -1.363 5.326 1.00 0.00 N ATOM 648 CA VAL A 42 2.268 -1.015 4.263 1.00 0.00 C ATOM 649 C VAL A 42 3.510 -0.386 4.883 1.00 0.00 C ATOM 650 O VAL A 42 3.424 0.648 5.542 1.00 0.00 O ATOM 651 CB VAL A 42 1.681 -0.041 3.218 1.00 0.00 C ATOM 652 CG1 VAL A 42 2.647 0.148 2.034 1.00 0.00 C ATOM 653 CG2 VAL A 42 0.324 -0.528 2.692 1.00 0.00 C ATOM 0 H VAL A 42 0.769 -0.561 5.658 1.00 0.00 H new ATOM 0 HA VAL A 42 2.517 -1.942 3.746 1.00 0.00 H new ATOM 0 HB VAL A 42 1.538 0.915 3.722 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.209 0.838 1.313 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.592 0.553 2.396 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.825 -0.814 1.553 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.058 0.182 1.959 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.445 -1.504 2.222 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.380 -0.609 3.520 1.00 0.00 H new ATOM 663 N GLN A 43 4.659 -1.007 4.631 1.00 0.00 N ATOM 664 CA GLN A 43 5.982 -0.619 5.125 1.00 0.00 C ATOM 665 C GLN A 43 6.957 -0.487 3.942 1.00 0.00 C ATOM 666 O GLN A 43 6.778 -1.121 2.903 1.00 0.00 O ATOM 667 CB GLN A 43 6.417 -1.710 6.123 1.00 0.00 C ATOM 668 CG GLN A 43 7.796 -1.511 6.777 1.00 0.00 C ATOM 669 CD GLN A 43 8.201 -2.716 7.628 1.00 0.00 C ATOM 670 OE1 GLN A 43 8.155 -3.860 7.197 1.00 0.00 O ATOM 671 NE2 GLN A 43 8.613 -2.526 8.861 1.00 0.00 N ATOM 0 H GLN A 43 4.697 -1.841 4.045 1.00 0.00 H new ATOM 0 HA GLN A 43 5.968 0.349 5.626 1.00 0.00 H new ATOM 0 HB2 GLN A 43 5.668 -1.773 6.912 1.00 0.00 H new ATOM 0 HB3 GLN A 43 6.417 -2.669 5.606 1.00 0.00 H new ATOM 0 HG2 GLN A 43 8.545 -1.345 6.003 1.00 0.00 H new ATOM 0 HG3 GLN A 43 7.777 -0.616 7.399 1.00 0.00 H new ATOM 0 HE21 GLN A 43 8.660 -1.581 9.243 1.00 0.00 H new ATOM 0 HE22 GLN A 43 8.886 -3.323 9.436 1.00 0.00 H new ATOM 680 N GLY A 44 7.993 0.350 4.066 1.00 0.00 N ATOM 681 CA GLY A 44 9.111 0.400 3.110 1.00 0.00 C ATOM 682 C GLY A 44 8.837 1.141 1.795 1.00 0.00 C ATOM 683 O GLY A 44 9.757 1.296 0.994 1.00 0.00 O ATOM 0 H GLY A 44 8.082 1.015 4.834 1.00 0.00 H new ATOM 0 HA2 GLY A 44 9.962 0.873 3.600 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.407 -0.622 2.874 1.00 0.00 H new ATOM 687 N VAL A 45 7.610 1.628 1.575 1.00 0.00 N ATOM 688 CA VAL A 45 7.268 2.534 0.459 1.00 0.00 C ATOM 689 C VAL A 45 8.175 3.786 0.488 1.00 0.00 C ATOM 690 O VAL A 45 8.322 4.384 1.557 1.00 0.00 O ATOM 691 CB VAL A 45 5.762 2.894 0.416 1.00 0.00 C ATOM 692 CG1 VAL A 45 5.256 3.643 1.657 1.00 0.00 C ATOM 693 CG2 VAL A 45 5.412 3.706 -0.842 1.00 0.00 C ATOM 0 H VAL A 45 6.813 1.404 2.171 1.00 0.00 H new ATOM 0 HA VAL A 45 7.460 1.999 -0.471 1.00 0.00 H new ATOM 0 HB VAL A 45 5.252 1.931 0.394 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.193 3.856 1.545 1.00 0.00 H new ATOM 0 HG12 VAL A 45 5.411 3.027 2.542 1.00 0.00 H new ATOM 0 HG13 VAL A 45 5.804 4.579 1.766 1.00 0.00 H new ATOM 0 HG21 VAL A 45 4.348 3.941 -0.839 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.988 4.631 -0.850 1.00 0.00 H new ATOM 0 HG23 VAL A 45 5.652 3.122 -1.730 1.00 0.00 H new ATOM 703 N PRO A 46 8.800 4.172 -0.645 1.00 0.00 N ATOM 704 CA PRO A 46 9.666 5.345 -0.736 1.00 0.00 C ATOM 705 C PRO A 46 8.998 6.627 -0.237 1.00 0.00 C ATOM 706 O PRO A 46 7.837 6.893 -0.542 1.00 0.00 O ATOM 707 CB PRO A 46 10.047 5.457 -2.214 1.00 0.00 C ATOM 708 CG PRO A 46 10.023 4.009 -2.688 1.00 0.00 C ATOM 709 CD PRO A 46 8.847 3.434 -1.903 1.00 0.00 C ATOM 0 HA PRO A 46 10.537 5.224 -0.092 1.00 0.00 H new ATOM 0 HB2 PRO A 46 9.339 6.074 -2.767 1.00 0.00 H new ATOM 0 HB3 PRO A 46 11.031 5.907 -2.344 1.00 0.00 H new ATOM 0 HG2 PRO A 46 9.869 3.935 -3.765 1.00 0.00 H new ATOM 0 HG3 PRO A 46 10.955 3.491 -2.463 1.00 0.00 H new ATOM 0 HD2 PRO A 46 7.915 3.549 -2.457 1.00 0.00 H new ATOM 0 HD3 PRO A 46 8.982 2.367 -1.724 1.00 0.00 H new ATOM 717 N GLU A 47 9.753 7.443 0.504 1.00 0.00 N ATOM 718 CA GLU A 47 9.267 8.695 1.099 1.00 0.00 C ATOM 719 C GLU A 47 9.086 9.829 0.068 1.00 0.00 C ATOM 720 O GLU A 47 8.535 10.882 0.399 1.00 0.00 O ATOM 721 CB GLU A 47 10.200 9.120 2.246 1.00 0.00 C ATOM 722 CG GLU A 47 10.005 8.233 3.487 1.00 0.00 C ATOM 723 CD GLU A 47 10.856 8.700 4.681 1.00 0.00 C ATOM 724 OE1 GLU A 47 10.783 9.893 5.062 1.00 0.00 O ATOM 725 OE2 GLU A 47 11.579 7.866 5.275 1.00 0.00 O ATOM 0 H GLU A 47 10.733 7.251 0.711 1.00 0.00 H new ATOM 0 HA GLU A 47 8.271 8.502 1.497 1.00 0.00 H new ATOM 0 HB2 GLU A 47 11.237 9.061 1.914 1.00 0.00 H new ATOM 0 HB3 GLU A 47 10.007 10.161 2.507 1.00 0.00 H new ATOM 0 HG2 GLU A 47 8.953 8.236 3.771 1.00 0.00 H new ATOM 0 HG3 GLU A 47 10.265 7.204 3.239 1.00 0.00 H new ATOM 732 N GLU A 48 9.507 9.622 -1.187 1.00 0.00 N ATOM 733 CA GLU A 48 9.184 10.516 -2.307 1.00 0.00 C ATOM 734 C GLU A 48 7.704 10.419 -2.731 1.00 0.00 C ATOM 735 O GLU A 48 7.187 11.338 -3.374 1.00 0.00 O ATOM 736 CB GLU A 48 10.129 10.266 -3.497 1.00 0.00 C ATOM 737 CG GLU A 48 9.981 8.891 -4.161 1.00 0.00 C ATOM 738 CD GLU A 48 10.924 8.771 -5.369 1.00 0.00 C ATOM 739 OE1 GLU A 48 10.553 9.222 -6.479 1.00 0.00 O ATOM 740 OE2 GLU A 48 12.046 8.233 -5.217 1.00 0.00 O ATOM 0 H GLU A 48 10.084 8.825 -1.455 1.00 0.00 H new ATOM 0 HA GLU A 48 9.338 11.537 -1.958 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.956 11.037 -4.248 1.00 0.00 H new ATOM 0 HB3 GLU A 48 11.158 10.380 -3.155 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.205 8.106 -3.439 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.950 8.745 -4.482 1.00 0.00 H new ATOM 747 N TYR A 49 7.001 9.340 -2.360 1.00 0.00 N ATOM 748 CA TYR A 49 5.551 9.202 -2.504 1.00 0.00 C ATOM 749 C TYR A 49 4.823 9.704 -1.243 1.00 0.00 C ATOM 750 O TYR A 49 5.149 9.306 -0.121 1.00 0.00 O ATOM 751 CB TYR A 49 5.201 7.733 -2.789 1.00 0.00 C ATOM 752 CG TYR A 49 5.823 7.177 -4.059 1.00 0.00 C ATOM 753 CD1 TYR A 49 5.388 7.648 -5.314 1.00 0.00 C ATOM 754 CD2 TYR A 49 6.831 6.193 -3.993 1.00 0.00 C ATOM 755 CE1 TYR A 49 5.943 7.132 -6.499 1.00 0.00 C ATOM 756 CE2 TYR A 49 7.386 5.669 -5.176 1.00 0.00 C ATOM 757 CZ TYR A 49 6.940 6.132 -6.435 1.00 0.00 C ATOM 758 OH TYR A 49 7.466 5.611 -7.578 1.00 0.00 O ATOM 0 H TYR A 49 7.439 8.520 -1.941 1.00 0.00 H new ATOM 0 HA TYR A 49 5.219 9.815 -3.342 1.00 0.00 H new ATOM 0 HB2 TYR A 49 5.523 7.124 -1.944 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.117 7.636 -2.857 1.00 0.00 H new ATOM 0 HD1 TYR A 49 4.624 8.410 -5.366 1.00 0.00 H new ATOM 0 HD2 TYR A 49 7.178 5.841 -3.033 1.00 0.00 H new ATOM 0 HE1 TYR A 49 5.607 7.500 -7.457 1.00 0.00 H new ATOM 0 HE2 TYR A 49 8.154 4.912 -5.122 1.00 0.00 H new ATOM 0 HH TYR A 49 8.391 5.332 -7.415 1.00 0.00 H new ATOM 768 N ASP A 50 3.818 10.568 -1.417 1.00 0.00 N ATOM 769 CA ASP A 50 3.024 11.114 -0.312 1.00 0.00 C ATOM 770 C ASP A 50 2.082 10.046 0.266 1.00 0.00 C ATOM 771 O ASP A 50 1.170 9.571 -0.412 1.00 0.00 O ATOM 772 CB ASP A 50 2.232 12.346 -0.778 1.00 0.00 C ATOM 773 CG ASP A 50 3.143 13.545 -1.078 1.00 0.00 C ATOM 774 OD1 ASP A 50 3.619 14.190 -0.113 1.00 0.00 O ATOM 775 OD2 ASP A 50 3.361 13.852 -2.276 1.00 0.00 O ATOM 0 H ASP A 50 3.531 10.910 -2.334 1.00 0.00 H new ATOM 0 HA ASP A 50 3.706 11.423 0.480 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.663 12.092 -1.672 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.511 12.624 -0.009 1.00 0.00 H new ATOM 780 N LEU A 51 2.269 9.695 1.543 1.00 0.00 N ATOM 781 CA LEU A 51 1.447 8.690 2.227 1.00 0.00 C ATOM 782 C LEU A 51 -0.031 9.111 2.272 1.00 0.00 C ATOM 783 O LEU A 51 -0.920 8.298 2.037 1.00 0.00 O ATOM 784 CB LEU A 51 2.006 8.448 3.640 1.00 0.00 C ATOM 785 CG LEU A 51 3.486 8.018 3.737 1.00 0.00 C ATOM 786 CD1 LEU A 51 3.816 7.738 5.210 1.00 0.00 C ATOM 787 CD2 LEU A 51 3.830 6.782 2.893 1.00 0.00 C ATOM 0 H LEU A 51 2.996 10.100 2.133 1.00 0.00 H new ATOM 0 HA LEU A 51 1.491 7.756 1.666 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.879 9.364 4.217 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.397 7.682 4.120 1.00 0.00 H new ATOM 0 HG LEU A 51 4.085 8.836 3.337 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.859 7.433 5.298 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.652 8.641 5.798 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.172 6.941 5.582 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.886 6.542 3.013 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.226 5.937 3.223 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.622 6.989 1.843 1.00 0.00 H new ATOM 799 N LYS A 52 -0.298 10.405 2.468 1.00 0.00 N ATOM 800 CA LYS A 52 -1.642 11.001 2.397 1.00 0.00 C ATOM 801 C LYS A 52 -2.299 10.855 1.009 1.00 0.00 C ATOM 802 O LYS A 52 -3.513 10.653 0.932 1.00 0.00 O ATOM 803 CB LYS A 52 -1.557 12.478 2.827 1.00 0.00 C ATOM 804 CG LYS A 52 -1.150 12.633 4.303 1.00 0.00 C ATOM 805 CD LYS A 52 -1.133 14.110 4.721 1.00 0.00 C ATOM 806 CE LYS A 52 -0.718 14.233 6.192 1.00 0.00 C ATOM 807 NZ LYS A 52 -0.682 15.652 6.637 1.00 0.00 N ATOM 0 H LYS A 52 0.429 11.086 2.686 1.00 0.00 H new ATOM 0 HA LYS A 52 -2.290 10.453 3.081 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.835 12.997 2.197 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.523 12.957 2.666 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.846 12.081 4.935 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.163 12.197 4.459 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.439 14.667 4.091 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.120 14.549 4.575 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.416 13.674 6.815 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.265 13.783 6.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.397 15.695 7.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.003 16.180 6.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.626 16.074 6.527 1.00 0.00 H new ATOM 821 N ARG A 53 -1.522 10.870 -0.085 1.00 0.00 N ATOM 822 CA ARG A 53 -2.024 10.558 -1.436 1.00 0.00 C ATOM 823 C ARG A 53 -2.345 9.065 -1.583 1.00 0.00 C ATOM 824 O ARG A 53 -3.376 8.728 -2.168 1.00 0.00 O ATOM 825 CB ARG A 53 -1.030 11.043 -2.509 1.00 0.00 C ATOM 826 CG ARG A 53 -1.474 10.797 -3.964 1.00 0.00 C ATOM 827 CD ARG A 53 -2.791 11.491 -4.337 1.00 0.00 C ATOM 828 NE ARG A 53 -3.156 11.210 -5.736 1.00 0.00 N ATOM 829 CZ ARG A 53 -4.253 11.624 -6.362 1.00 0.00 C ATOM 830 NH1 ARG A 53 -5.147 12.391 -5.773 1.00 0.00 N ATOM 831 NH2 ARG A 53 -4.465 11.265 -7.610 1.00 0.00 N ATOM 0 H ARG A 53 -0.528 11.098 -0.060 1.00 0.00 H new ATOM 0 HA ARG A 53 -2.960 11.097 -1.586 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -0.862 12.111 -2.371 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -0.073 10.547 -2.348 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -0.689 11.143 -4.637 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.582 9.724 -4.124 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -3.586 11.150 -3.674 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.694 12.567 -4.192 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.504 10.643 -6.277 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.009 12.686 -4.806 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.978 12.690 -6.283 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.789 10.672 -8.092 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.305 11.580 -8.095 1.00 0.00 H new ATOM 845 N ILE A 54 -1.542 8.168 -0.995 1.00 0.00 N ATOM 846 CA ILE A 54 -1.845 6.724 -0.949 1.00 0.00 C ATOM 847 C ILE A 54 -3.197 6.517 -0.254 1.00 0.00 C ATOM 848 O ILE A 54 -4.071 5.879 -0.840 1.00 0.00 O ATOM 849 CB ILE A 54 -0.682 5.916 -0.316 1.00 0.00 C ATOM 850 CG1 ILE A 54 0.616 6.102 -1.141 1.00 0.00 C ATOM 851 CG2 ILE A 54 -1.071 4.428 -0.213 1.00 0.00 C ATOM 852 CD1 ILE A 54 1.861 5.440 -0.539 1.00 0.00 C ATOM 0 H ILE A 54 -0.665 8.418 -0.538 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.935 6.331 -1.962 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.493 6.290 0.690 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.455 5.699 -2.141 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.808 7.169 -1.254 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.249 3.867 0.232 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.959 4.326 0.410 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.280 4.037 -1.209 1.00 0.00 H new ATOM 0 HD11 ILE A 54 2.719 5.624 -1.185 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.054 5.859 0.449 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.696 4.366 -0.452 1.00 0.00 H new ATOM 864 N LEU A 55 -3.438 7.157 0.902 1.00 0.00 N ATOM 865 CA LEU A 55 -4.753 7.145 1.552 1.00 0.00 C ATOM 866 C LEU A 55 -5.856 7.632 0.602 1.00 0.00 C ATOM 867 O LEU A 55 -6.867 6.955 0.446 1.00 0.00 O ATOM 868 CB LEU A 55 -4.773 7.998 2.839 1.00 0.00 C ATOM 869 CG LEU A 55 -3.724 7.739 3.938 1.00 0.00 C ATOM 870 CD1 LEU A 55 -4.244 8.325 5.260 1.00 0.00 C ATOM 871 CD2 LEU A 55 -3.369 6.263 4.127 1.00 0.00 C ATOM 0 H LEU A 55 -2.731 7.692 1.407 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.948 6.107 1.822 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.682 9.042 2.540 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.757 7.881 3.293 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.802 8.226 3.621 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.512 8.150 6.049 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.404 9.397 5.145 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.186 7.844 5.526 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.625 6.166 4.918 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.265 5.706 4.401 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.964 5.864 3.197 1.00 0.00 H new ATOM 883 N LYS A 56 -5.670 8.777 -0.065 1.00 0.00 N ATOM 884 CA LYS A 56 -6.676 9.380 -0.931 1.00 0.00 C ATOM 885 C LYS A 56 -7.061 8.472 -2.109 1.00 0.00 C ATOM 886 O LYS A 56 -8.251 8.313 -2.384 1.00 0.00 O ATOM 887 CB LYS A 56 -6.114 10.739 -1.382 1.00 0.00 C ATOM 888 CG LYS A 56 -7.120 11.631 -2.112 1.00 0.00 C ATOM 889 CD LYS A 56 -8.283 12.062 -1.207 1.00 0.00 C ATOM 890 CE LYS A 56 -9.155 13.103 -1.924 1.00 0.00 C ATOM 891 NZ LYS A 56 -10.279 13.566 -1.068 1.00 0.00 N ATOM 0 H LYS A 56 -4.804 9.313 -0.014 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.611 9.521 -0.389 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -5.742 11.273 -0.507 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -5.260 10.566 -2.036 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.609 12.517 -2.490 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -7.514 11.097 -2.977 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -8.886 11.194 -0.939 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -7.895 12.480 -0.278 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -8.541 13.957 -2.210 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -9.552 12.673 -2.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -10.844 14.268 -1.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -10.880 12.756 -0.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -9.900 13.999 -0.202 1.00 0.00 H new ATOM 905 N VAL A 57 -6.088 7.840 -2.771 1.00 0.00 N ATOM 906 CA VAL A 57 -6.348 6.942 -3.915 1.00 0.00 C ATOM 907 C VAL A 57 -7.058 5.662 -3.469 1.00 0.00 C ATOM 908 O VAL A 57 -8.025 5.248 -4.107 1.00 0.00 O ATOM 909 CB VAL A 57 -5.059 6.582 -4.686 1.00 0.00 C ATOM 910 CG1 VAL A 57 -5.352 5.616 -5.851 1.00 0.00 C ATOM 911 CG2 VAL A 57 -4.406 7.847 -5.256 1.00 0.00 C ATOM 0 H VAL A 57 -5.100 7.931 -2.536 1.00 0.00 H new ATOM 0 HA VAL A 57 -7.001 7.493 -4.592 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.386 6.097 -3.979 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.424 5.383 -6.373 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.789 4.697 -5.461 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.050 6.084 -6.545 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.499 7.576 -5.796 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.100 8.340 -5.936 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.154 8.525 -4.441 1.00 0.00 H new ATOM 921 N LEU A 58 -6.613 5.051 -2.367 1.00 0.00 N ATOM 922 CA LEU A 58 -7.195 3.799 -1.865 1.00 0.00 C ATOM 923 C LEU A 58 -8.605 3.997 -1.278 1.00 0.00 C ATOM 924 O LEU A 58 -9.466 3.129 -1.422 1.00 0.00 O ATOM 925 CB LEU A 58 -6.207 3.152 -0.875 1.00 0.00 C ATOM 926 CG LEU A 58 -4.831 2.798 -1.493 1.00 0.00 C ATOM 927 CD1 LEU A 58 -3.918 2.196 -0.421 1.00 0.00 C ATOM 928 CD2 LEU A 58 -4.938 1.838 -2.681 1.00 0.00 C ATOM 0 H LEU A 58 -5.844 5.406 -1.799 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.344 3.113 -2.699 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.053 3.831 -0.037 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.656 2.244 -0.471 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.406 3.727 -1.872 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.952 1.949 -0.862 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.776 2.918 0.383 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.375 1.291 -0.020 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.942 1.628 -3.070 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.404 0.908 -2.356 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.545 2.294 -3.464 1.00 0.00 H new ATOM 940 N LYS A 59 -8.898 5.161 -0.695 1.00 0.00 N ATOM 941 CA LYS A 59 -10.260 5.527 -0.275 1.00 0.00 C ATOM 942 C LYS A 59 -11.185 5.860 -1.463 1.00 0.00 C ATOM 943 O LYS A 59 -12.377 5.552 -1.414 1.00 0.00 O ATOM 944 CB LYS A 59 -10.180 6.692 0.727 1.00 0.00 C ATOM 945 CG LYS A 59 -9.554 6.232 2.051 1.00 0.00 C ATOM 946 CD LYS A 59 -9.459 7.382 3.065 1.00 0.00 C ATOM 947 CE LYS A 59 -8.638 6.933 4.280 1.00 0.00 C ATOM 948 NZ LYS A 59 -8.659 7.928 5.385 1.00 0.00 N ATOM 0 H LYS A 59 -8.201 5.879 -0.499 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.712 4.661 0.209 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -9.588 7.503 0.302 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.179 7.089 0.910 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -10.150 5.423 2.473 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -8.559 5.830 1.862 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -8.994 8.252 2.601 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.457 7.685 3.380 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -9.027 5.982 4.645 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -7.607 6.759 3.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -8.089 7.575 6.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -8.263 8.829 5.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -9.639 8.076 5.700 1.00 0.00 H new ATOM 962 N LYS A 60 -10.656 6.448 -2.542 1.00 0.00 N ATOM 963 CA LYS A 60 -11.425 6.830 -3.738 1.00 0.00 C ATOM 964 C LYS A 60 -11.727 5.642 -4.674 1.00 0.00 C ATOM 965 O LYS A 60 -12.890 5.361 -4.964 1.00 0.00 O ATOM 966 CB LYS A 60 -10.657 7.954 -4.461 1.00 0.00 C ATOM 967 CG LYS A 60 -11.406 8.503 -5.685 1.00 0.00 C ATOM 968 CD LYS A 60 -10.628 9.667 -6.320 1.00 0.00 C ATOM 969 CE LYS A 60 -11.281 10.175 -7.616 1.00 0.00 C ATOM 970 NZ LYS A 60 -12.587 10.846 -7.382 1.00 0.00 N ATOM 0 H LYS A 60 -9.665 6.677 -2.612 1.00 0.00 H new ATOM 0 HA LYS A 60 -12.406 7.187 -3.424 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -10.471 8.768 -3.760 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.684 7.577 -4.776 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -11.546 7.709 -6.419 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -12.399 8.841 -5.389 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.561 10.487 -5.605 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.609 9.345 -6.533 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -10.603 10.872 -8.109 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -11.426 9.336 -8.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -12.980 11.167 -8.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -13.247 10.176 -6.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -12.449 11.665 -6.755 1.00 0.00 H new ATOM 984 N ASP A 61 -10.690 4.959 -5.163 1.00 0.00 N ATOM 985 CA ASP A 61 -10.789 3.957 -6.234 1.00 0.00 C ATOM 986 C ASP A 61 -11.133 2.546 -5.723 1.00 0.00 C ATOM 987 O ASP A 61 -11.975 1.865 -6.313 1.00 0.00 O ATOM 988 CB ASP A 61 -9.470 3.941 -7.021 1.00 0.00 C ATOM 989 CG ASP A 61 -9.590 3.111 -8.310 1.00 0.00 C ATOM 990 OD1 ASP A 61 -10.245 3.589 -9.266 1.00 0.00 O ATOM 991 OD2 ASP A 61 -9.020 1.996 -8.368 1.00 0.00 O ATOM 0 H ASP A 61 -9.738 5.087 -4.821 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.618 4.246 -6.880 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -9.182 4.962 -7.271 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -8.677 3.530 -6.396 1.00 0.00 H new ATOM 996 N PHE A 62 -10.512 2.119 -4.615 1.00 0.00 N ATOM 997 CA PHE A 62 -10.726 0.799 -4.005 1.00 0.00 C ATOM 998 C PHE A 62 -11.856 0.801 -2.957 1.00 0.00 C ATOM 999 O PHE A 62 -12.286 -0.273 -2.529 1.00 0.00 O ATOM 1000 CB PHE A 62 -9.414 0.311 -3.371 1.00 0.00 C ATOM 1001 CG PHE A 62 -8.269 0.041 -4.326 1.00 0.00 C ATOM 1002 CD1 PHE A 62 -7.519 1.102 -4.865 1.00 0.00 C ATOM 1003 CD2 PHE A 62 -7.907 -1.285 -4.628 1.00 0.00 C ATOM 1004 CE1 PHE A 62 -6.411 0.843 -5.690 1.00 0.00 C ATOM 1005 CE2 PHE A 62 -6.796 -1.545 -5.447 1.00 0.00 C ATOM 1006 CZ PHE A 62 -6.047 -0.485 -5.978 1.00 0.00 C ATOM 0 H PHE A 62 -9.836 2.690 -4.109 1.00 0.00 H new ATOM 0 HA PHE A 62 -11.037 0.118 -4.798 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -9.087 1.056 -2.645 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -9.621 -0.605 -2.817 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.796 2.122 -4.643 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -8.485 -2.105 -4.229 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -5.840 1.662 -6.102 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -6.518 -2.565 -5.669 1.00 0.00 H new ATOM 0 HZ PHE A 62 -5.193 -0.688 -6.607 1.00 0.00 H new ATOM 1016 N ALA A 63 -12.322 1.987 -2.539 1.00 0.00 N ATOM 1017 CA ALA A 63 -13.351 2.203 -1.511 1.00 0.00 C ATOM 1018 C ALA A 63 -12.929 1.679 -0.116 1.00 0.00 C ATOM 1019 O ALA A 63 -13.772 1.251 0.679 1.00 0.00 O ATOM 1020 CB ALA A 63 -14.708 1.666 -2.008 1.00 0.00 C ATOM 0 H ALA A 63 -11.975 2.864 -2.927 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.469 3.275 -1.356 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -15.466 1.829 -1.242 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -14.995 2.190 -2.920 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -14.624 0.599 -2.214 1.00 0.00 H new ATOM 1026 N CYS A 64 -11.621 1.691 0.179 1.00 0.00 N ATOM 1027 CA CYS A 64 -11.053 1.256 1.459 1.00 0.00 C ATOM 1028 C CYS A 64 -11.160 2.363 2.529 1.00 0.00 C ATOM 1029 O CYS A 64 -11.757 3.418 2.307 1.00 0.00 O ATOM 1030 CB CYS A 64 -9.596 0.808 1.208 1.00 0.00 C ATOM 1031 SG CYS A 64 -9.553 -0.673 0.157 1.00 0.00 S ATOM 0 H CYS A 64 -10.914 2.011 -0.483 1.00 0.00 H new ATOM 0 HA CYS A 64 -11.619 0.414 1.857 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -9.039 1.615 0.731 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -9.105 0.600 2.159 1.00 0.00 H new ATOM 0 HG CYS A 64 -8.318 -1.029 -0.041 1.00 0.00 H new ATOM 1037 N ASN A 65 -10.532 2.138 3.685 1.00 0.00 N ATOM 1038 CA ASN A 65 -10.324 3.143 4.732 1.00 0.00 C ATOM 1039 C ASN A 65 -8.993 2.860 5.449 1.00 0.00 C ATOM 1040 O ASN A 65 -8.556 1.708 5.490 1.00 0.00 O ATOM 1041 CB ASN A 65 -11.533 3.182 5.685 1.00 0.00 C ATOM 1042 CG ASN A 65 -11.572 4.429 6.570 1.00 0.00 C ATOM 1043 OD1 ASN A 65 -10.777 5.354 6.435 1.00 0.00 O ATOM 1044 ND2 ASN A 65 -12.508 4.494 7.499 1.00 0.00 N ATOM 0 H ASN A 65 -10.143 1.227 3.926 1.00 0.00 H new ATOM 0 HA ASN A 65 -10.251 4.139 4.295 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -12.450 3.134 5.098 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -11.514 2.296 6.320 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -12.570 5.313 8.104 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -13.169 3.725 7.612 1.00 0.00 H new ATOM 1051 N GLY A 66 -8.324 3.889 5.975 1.00 0.00 N ATOM 1052 CA GLY A 66 -6.952 3.787 6.480 1.00 0.00 C ATOM 1053 C GLY A 66 -6.364 5.063 7.065 1.00 0.00 C ATOM 1054 O GLY A 66 -6.959 6.139 6.973 1.00 0.00 O ATOM 0 H GLY A 66 -8.722 4.824 6.063 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -6.924 3.012 7.246 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -6.309 3.454 5.665 1.00 0.00 H new ATOM 1058 N ASN A 67 -5.181 4.915 7.658 1.00 0.00 N ATOM 1059 CA ASN A 67 -4.450 5.941 8.416 1.00 0.00 C ATOM 1060 C ASN A 67 -2.929 5.694 8.395 1.00 0.00 C ATOM 1061 O ASN A 67 -2.473 4.564 8.206 1.00 0.00 O ATOM 1062 CB ASN A 67 -4.940 5.960 9.879 1.00 0.00 C ATOM 1063 CG ASN A 67 -6.362 6.490 10.039 1.00 0.00 C ATOM 1064 OD1 ASN A 67 -6.618 7.681 9.896 1.00 0.00 O ATOM 1065 ND2 ASN A 67 -7.321 5.632 10.342 1.00 0.00 N ATOM 0 H ASN A 67 -4.675 4.030 7.624 1.00 0.00 H new ATOM 0 HA ASN A 67 -4.646 6.902 7.940 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -4.890 4.949 10.283 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -4.263 6.575 10.472 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -8.280 5.959 10.458 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -7.102 4.643 10.460 1.00 0.00 H new ATOM 1072 N ILE A 68 -2.130 6.738 8.638 1.00 0.00 N ATOM 1073 CA ILE A 68 -0.670 6.649 8.843 1.00 0.00 C ATOM 1074 C ILE A 68 -0.398 6.495 10.351 1.00 0.00 C ATOM 1075 O ILE A 68 -0.939 7.266 11.144 1.00 0.00 O ATOM 1076 CB ILE A 68 0.034 7.905 8.273 1.00 0.00 C ATOM 1077 CG1 ILE A 68 -0.251 8.093 6.763 1.00 0.00 C ATOM 1078 CG2 ILE A 68 1.558 7.823 8.498 1.00 0.00 C ATOM 1079 CD1 ILE A 68 -0.060 9.542 6.299 1.00 0.00 C ATOM 0 H ILE A 68 -2.483 7.693 8.700 1.00 0.00 H new ATOM 0 HA ILE A 68 -0.270 5.784 8.314 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.370 8.765 8.807 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.409 7.442 6.189 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.273 7.779 6.549 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.034 8.715 8.091 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.765 7.757 9.566 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.953 6.939 7.997 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.273 9.614 5.233 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -0.739 10.193 6.850 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.969 9.851 6.485 1.00 0.00 H new ATOM 1091 N VAL A 69 0.424 5.520 10.747 1.00 0.00 N ATOM 1092 CA VAL A 69 0.735 5.200 12.157 1.00 0.00 C ATOM 1093 C VAL A 69 2.210 4.808 12.276 1.00 0.00 C ATOM 1094 O VAL A 69 2.722 4.097 11.418 1.00 0.00 O ATOM 1095 CB VAL A 69 -0.153 4.036 12.677 1.00 0.00 C ATOM 1096 CG1 VAL A 69 0.135 3.695 14.150 1.00 0.00 C ATOM 1097 CG2 VAL A 69 -1.657 4.342 12.543 1.00 0.00 C ATOM 0 H VAL A 69 0.907 4.912 10.086 1.00 0.00 H new ATOM 0 HA VAL A 69 0.532 6.083 12.763 1.00 0.00 H new ATOM 0 HB VAL A 69 0.102 3.183 12.048 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.510 2.876 14.467 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.178 3.397 14.257 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.058 4.570 14.771 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.235 3.498 12.920 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.900 5.234 13.120 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.902 4.510 11.494 1.00 0.00 H new ATOM 1209 N ILE A 77 4.144 3.434 9.030 1.00 0.00 N ATOM 1210 CA ILE A 77 3.368 2.556 8.145 1.00 0.00 C ATOM 1211 C ILE A 77 1.962 3.107 7.880 1.00 0.00 C ATOM 1212 O ILE A 77 1.390 3.835 8.698 1.00 0.00 O ATOM 1213 CB ILE A 77 3.253 1.119 8.735 1.00 0.00 C ATOM 1214 CG1 ILE A 77 2.676 1.081 10.172 1.00 0.00 C ATOM 1215 CG2 ILE A 77 4.593 0.374 8.660 1.00 0.00 C ATOM 1216 CD1 ILE A 77 2.533 -0.331 10.746 1.00 0.00 C ATOM 0 HA ILE A 77 3.909 2.515 7.199 1.00 0.00 H new ATOM 0 HB ILE A 77 2.530 0.600 8.106 1.00 0.00 H new ATOM 0 HG12 ILE A 77 3.321 1.665 10.828 1.00 0.00 H new ATOM 0 HG13 ILE A 77 1.699 1.564 10.174 1.00 0.00 H new ATOM 0 HG21 ILE A 77 4.478 -0.625 9.080 1.00 0.00 H new ATOM 0 HG22 ILE A 77 4.908 0.296 7.620 1.00 0.00 H new ATOM 0 HG23 ILE A 77 5.346 0.921 9.227 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.123 -0.274 11.754 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.863 -0.914 10.114 1.00 0.00 H new ATOM 0 HD13 ILE A 77 3.511 -0.811 10.779 1.00 0.00 H new ATOM 1228 N ILE A 78 1.381 2.725 6.743 1.00 0.00 N ATOM 1229 CA ILE A 78 -0.050 2.922 6.466 1.00 0.00 C ATOM 1230 C ILE A 78 -0.790 1.658 6.902 1.00 0.00 C ATOM 1231 O ILE A 78 -0.402 0.554 6.512 1.00 0.00 O ATOM 1232 CB ILE A 78 -0.302 3.233 4.973 1.00 0.00 C ATOM 1233 CG1 ILE A 78 0.302 4.604 4.598 1.00 0.00 C ATOM 1234 CG2 ILE A 78 -1.811 3.182 4.643 1.00 0.00 C ATOM 1235 CD1 ILE A 78 0.483 4.751 3.086 1.00 0.00 C ATOM 0 H ILE A 78 1.887 2.269 5.984 1.00 0.00 H new ATOM 0 HA ILE A 78 -0.419 3.783 7.024 1.00 0.00 H new ATOM 0 HB ILE A 78 0.193 2.467 4.376 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -0.346 5.399 4.965 1.00 0.00 H new ATOM 0 HG13 ILE A 78 1.266 4.724 5.093 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -1.960 3.405 3.586 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -2.198 2.187 4.862 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.341 3.919 5.247 1.00 0.00 H new ATOM 0 HD11 ILE A 78 0.910 5.729 2.864 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.152 3.972 2.722 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -0.485 4.657 2.593 1.00 0.00 H new ATOM 1247 N GLN A 79 -1.853 1.828 7.683 1.00 0.00 N ATOM 1248 CA GLN A 79 -2.830 0.792 8.008 1.00 0.00 C ATOM 1249 C GLN A 79 -4.025 0.971 7.063 1.00 0.00 C ATOM 1250 O GLN A 79 -4.543 2.082 6.947 1.00 0.00 O ATOM 1251 CB GLN A 79 -3.295 0.939 9.467 1.00 0.00 C ATOM 1252 CG GLN A 79 -2.189 0.636 10.493 1.00 0.00 C ATOM 1253 CD GLN A 79 -2.643 0.775 11.950 1.00 0.00 C ATOM 1254 OE1 GLN A 79 -3.767 1.144 12.271 1.00 0.00 O ATOM 1255 NE2 GLN A 79 -1.781 0.477 12.900 1.00 0.00 N ATOM 0 H GLN A 79 -2.066 2.723 8.123 1.00 0.00 H new ATOM 0 HA GLN A 79 -2.387 -0.197 7.890 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -3.658 1.955 9.624 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -4.136 0.269 9.642 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -1.824 -0.378 10.331 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -1.349 1.309 10.318 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -0.840 0.168 12.656 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -2.054 0.555 13.880 1.00 0.00 H new ATOM 1264 N LEU A 80 -4.481 -0.104 6.415 1.00 0.00 N ATOM 1265 CA LEU A 80 -5.686 -0.149 5.584 1.00 0.00 C ATOM 1266 C LEU A 80 -6.630 -1.223 6.148 1.00 0.00 C ATOM 1267 O LEU A 80 -6.176 -2.284 6.574 1.00 0.00 O ATOM 1268 CB LEU A 80 -5.276 -0.450 4.124 1.00 0.00 C ATOM 1269 CG LEU A 80 -6.187 0.163 3.041 1.00 0.00 C ATOM 1270 CD1 LEU A 80 -6.082 1.697 3.003 1.00 0.00 C ATOM 1271 CD2 LEU A 80 -5.764 -0.380 1.667 1.00 0.00 C ATOM 0 H LEU A 80 -4.001 -1.003 6.457 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.211 0.806 5.595 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.260 -0.087 3.968 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.253 -1.531 3.986 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.215 -0.108 3.279 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.740 2.088 2.226 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.378 2.106 3.969 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.054 1.986 2.787 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.403 0.048 0.894 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.727 -0.108 1.472 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.862 -1.466 1.659 1.00 0.00 H new ATOM 1283 N GLN A 81 -7.934 -0.966 6.181 1.00 0.00 N ATOM 1284 CA GLN A 81 -8.914 -1.883 6.769 1.00 0.00 C ATOM 1285 C GLN A 81 -9.224 -3.049 5.817 1.00 0.00 C ATOM 1286 O GLN A 81 -9.406 -2.843 4.616 1.00 0.00 O ATOM 1287 CB GLN A 81 -10.181 -1.111 7.177 1.00 0.00 C ATOM 1288 CG GLN A 81 -9.890 -0.114 8.317 1.00 0.00 C ATOM 1289 CD GLN A 81 -11.121 0.664 8.787 1.00 0.00 C ATOM 1290 OE1 GLN A 81 -12.255 0.202 8.744 1.00 0.00 O ATOM 1291 NE2 GLN A 81 -10.952 1.876 9.274 1.00 0.00 N ATOM 0 H GLN A 81 -8.346 -0.114 5.800 1.00 0.00 H new ATOM 0 HA GLN A 81 -8.489 -2.323 7.671 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -10.576 -0.574 6.314 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -10.951 -1.814 7.494 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -9.470 -0.657 9.164 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -9.130 0.593 7.984 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -10.017 2.281 9.320 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -11.756 2.409 9.605 1.00 0.00 H new ATOM 1300 N GLY A 82 -9.282 -4.272 6.358 1.00 0.00 N ATOM 1301 CA GLY A 82 -9.426 -5.533 5.619 1.00 0.00 C ATOM 1302 C GLY A 82 -8.084 -6.142 5.192 1.00 0.00 C ATOM 1303 O GLY A 82 -7.015 -5.658 5.562 1.00 0.00 O ATOM 0 H GLY A 82 -9.228 -4.416 7.366 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -9.962 -6.251 6.240 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -10.037 -5.359 4.733 1.00 0.00 H new ATOM 1307 N ASP A 83 -8.148 -7.222 4.412 1.00 0.00 N ATOM 1308 CA ASP A 83 -7.010 -7.931 3.807 1.00 0.00 C ATOM 1309 C ASP A 83 -6.798 -7.486 2.343 1.00 0.00 C ATOM 1310 O ASP A 83 -7.351 -8.058 1.404 1.00 0.00 O ATOM 1311 CB ASP A 83 -7.202 -9.455 3.958 1.00 0.00 C ATOM 1312 CG ASP A 83 -8.466 -10.035 3.286 1.00 0.00 C ATOM 1313 OD1 ASP A 83 -9.590 -9.557 3.576 1.00 0.00 O ATOM 1314 OD2 ASP A 83 -8.335 -11.016 2.514 1.00 0.00 O ATOM 0 H ASP A 83 -9.041 -7.652 4.170 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.093 -7.669 4.335 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -6.328 -9.957 3.543 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.233 -9.696 5.020 1.00 0.00 H new ATOM 1319 N GLN A 84 -6.000 -6.430 2.155 1.00 0.00 N ATOM 1320 CA GLN A 84 -5.832 -5.705 0.889 1.00 0.00 C ATOM 1321 C GLN A 84 -4.438 -5.875 0.271 1.00 0.00 C ATOM 1322 O GLN A 84 -4.049 -5.111 -0.615 1.00 0.00 O ATOM 1323 CB GLN A 84 -6.190 -4.218 1.109 1.00 0.00 C ATOM 1324 CG GLN A 84 -7.431 -3.929 1.985 1.00 0.00 C ATOM 1325 CD GLN A 84 -8.756 -4.546 1.527 1.00 0.00 C ATOM 1326 OE1 GLN A 84 -8.886 -5.219 0.513 1.00 0.00 O ATOM 1327 NE2 GLN A 84 -9.815 -4.321 2.267 1.00 0.00 N ATOM 0 H GLN A 84 -5.432 -6.041 2.908 1.00 0.00 H new ATOM 0 HA GLN A 84 -6.515 -6.139 0.159 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -5.330 -3.724 1.562 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -6.346 -3.757 0.134 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -7.223 -4.281 2.996 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -7.561 -2.848 2.044 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -9.734 -3.763 3.117 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -10.720 -4.704 1.992 1.00 0.00 H new ATOM 1336 N ARG A 85 -3.671 -6.876 0.717 1.00 0.00 N ATOM 1337 CA ARG A 85 -2.251 -7.016 0.388 1.00 0.00 C ATOM 1338 C ARG A 85 -1.949 -7.124 -1.118 1.00 0.00 C ATOM 1339 O ARG A 85 -1.034 -6.467 -1.616 1.00 0.00 O ATOM 1340 CB ARG A 85 -1.618 -8.138 1.234 1.00 0.00 C ATOM 1341 CG ARG A 85 -2.220 -9.532 0.979 1.00 0.00 C ATOM 1342 CD ARG A 85 -1.616 -10.593 1.905 1.00 0.00 C ATOM 1343 NE ARG A 85 -2.289 -11.890 1.714 1.00 0.00 N ATOM 1344 CZ ARG A 85 -1.877 -13.068 2.165 1.00 0.00 C ATOM 1345 NH1 ARG A 85 -0.779 -13.192 2.878 1.00 0.00 N ATOM 1346 NH2 ARG A 85 -2.573 -14.151 1.897 1.00 0.00 N ATOM 0 H ARG A 85 -4.023 -7.618 1.322 1.00 0.00 H new ATOM 0 HA ARG A 85 -1.767 -6.078 0.661 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -0.548 -8.173 1.030 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -1.733 -7.892 2.290 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -3.299 -9.494 1.126 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -2.050 -9.817 -0.059 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -0.550 -10.697 1.702 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -1.713 -10.276 2.943 1.00 0.00 H new ATOM 0 HE ARG A 85 -3.159 -11.881 1.182 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -0.218 -12.369 3.098 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -0.488 -14.111 3.211 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -3.427 -14.084 1.344 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -2.259 -15.058 2.242 1.00 0.00 H new ATOM 1360 N ALA A 86 -2.761 -7.879 -1.864 1.00 0.00 N ATOM 1361 CA ALA A 86 -2.675 -7.985 -3.324 1.00 0.00 C ATOM 1362 C ALA A 86 -3.196 -6.719 -4.035 1.00 0.00 C ATOM 1363 O ALA A 86 -2.619 -6.263 -5.021 1.00 0.00 O ATOM 1364 CB ALA A 86 -3.463 -9.232 -3.739 1.00 0.00 C ATOM 0 H ALA A 86 -3.510 -8.444 -1.463 1.00 0.00 H new ATOM 0 HA ALA A 86 -1.632 -8.076 -3.626 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -3.422 -9.345 -4.822 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.027 -10.112 -3.266 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -4.501 -9.128 -3.424 1.00 0.00 H new ATOM 1370 N LYS A 87 -4.257 -6.107 -3.498 1.00 0.00 N ATOM 1371 CA LYS A 87 -4.861 -4.883 -4.041 1.00 0.00 C ATOM 1372 C LYS A 87 -3.912 -3.679 -3.934 1.00 0.00 C ATOM 1373 O LYS A 87 -3.735 -2.944 -4.903 1.00 0.00 O ATOM 1374 CB LYS A 87 -6.185 -4.608 -3.310 1.00 0.00 C ATOM 1375 CG LYS A 87 -7.218 -5.729 -3.485 1.00 0.00 C ATOM 1376 CD LYS A 87 -8.535 -5.318 -2.817 1.00 0.00 C ATOM 1377 CE LYS A 87 -9.436 -6.536 -2.586 1.00 0.00 C ATOM 1378 NZ LYS A 87 -10.521 -6.221 -1.626 1.00 0.00 N ATOM 0 H LYS A 87 -4.728 -6.452 -2.662 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.055 -5.033 -5.103 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -5.984 -4.471 -2.247 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -6.608 -3.673 -3.678 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.381 -5.926 -4.545 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -6.846 -6.653 -3.043 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -8.327 -4.829 -1.865 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -9.053 -4.591 -3.443 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.867 -6.859 -3.534 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -8.840 -7.367 -2.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -11.055 -7.087 -1.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -10.110 -5.839 -0.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -11.161 -5.516 -2.044 1.00 0.00 H new ATOM 1392 N VAL A 88 -3.243 -3.518 -2.790 1.00 0.00 N ATOM 1393 CA VAL A 88 -2.231 -2.463 -2.597 1.00 0.00 C ATOM 1394 C VAL A 88 -0.984 -2.727 -3.453 1.00 0.00 C ATOM 1395 O VAL A 88 -0.431 -1.779 -4.005 1.00 0.00 O ATOM 1396 CB VAL A 88 -1.871 -2.270 -1.108 1.00 0.00 C ATOM 1397 CG1 VAL A 88 -0.764 -1.219 -0.920 1.00 0.00 C ATOM 1398 CG2 VAL A 88 -3.103 -1.805 -0.314 1.00 0.00 C ATOM 0 H VAL A 88 -3.383 -4.110 -1.971 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.672 -1.526 -2.936 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.518 -3.235 -0.743 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.540 -1.113 0.141 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.134 -1.537 -1.450 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.100 -0.261 -1.317 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.832 -1.674 0.734 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.460 -0.858 -0.718 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.891 -2.554 -0.394 1.00 0.00 H new ATOM 1408 N CYS A 89 -0.575 -3.989 -3.651 1.00 0.00 N ATOM 1409 CA CYS A 89 0.489 -4.334 -4.606 1.00 0.00 C ATOM 1410 C CYS A 89 0.146 -3.836 -6.023 1.00 0.00 C ATOM 1411 O CYS A 89 0.934 -3.119 -6.643 1.00 0.00 O ATOM 1412 CB CYS A 89 0.716 -5.852 -4.544 1.00 0.00 C ATOM 1413 SG CYS A 89 2.127 -6.306 -5.593 1.00 0.00 S ATOM 0 H CYS A 89 -0.968 -4.792 -3.159 1.00 0.00 H new ATOM 0 HA CYS A 89 1.419 -3.833 -4.338 1.00 0.00 H new ATOM 0 HB2 CYS A 89 0.902 -6.159 -3.515 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -0.180 -6.377 -4.876 1.00 0.00 H new ATOM 0 HG CYS A 89 2.315 -7.591 -5.535 1.00 0.00 H new ATOM 1419 N GLU A 90 -1.071 -4.121 -6.492 1.00 0.00 N ATOM 1420 CA GLU A 90 -1.581 -3.635 -7.772 1.00 0.00 C ATOM 1421 C GLU A 90 -1.610 -2.094 -7.856 1.00 0.00 C ATOM 1422 O GLU A 90 -1.235 -1.549 -8.894 1.00 0.00 O ATOM 1423 CB GLU A 90 -2.964 -4.255 -8.032 1.00 0.00 C ATOM 1424 CG GLU A 90 -3.421 -4.031 -9.473 1.00 0.00 C ATOM 1425 CD GLU A 90 -4.725 -4.788 -9.766 1.00 0.00 C ATOM 1426 OE1 GLU A 90 -5.822 -4.229 -9.533 1.00 0.00 O ATOM 1427 OE2 GLU A 90 -4.662 -5.948 -10.241 1.00 0.00 O ATOM 0 H GLU A 90 -1.737 -4.704 -5.985 1.00 0.00 H new ATOM 0 HA GLU A 90 -0.895 -3.951 -8.558 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -2.929 -5.324 -7.823 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -3.692 -3.820 -7.347 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -3.569 -2.965 -9.649 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -2.643 -4.363 -10.160 1.00 0.00 H new ATOM 1434 N PHE A 91 -1.964 -1.375 -6.778 1.00 0.00 N ATOM 1435 CA PHE A 91 -1.911 0.093 -6.733 1.00 0.00 C ATOM 1436 C PHE A 91 -0.481 0.621 -6.937 1.00 0.00 C ATOM 1437 O PHE A 91 -0.271 1.525 -7.748 1.00 0.00 O ATOM 1438 CB PHE A 91 -2.499 0.594 -5.401 1.00 0.00 C ATOM 1439 CG PHE A 91 -2.058 1.994 -5.021 1.00 0.00 C ATOM 1440 CD1 PHE A 91 -2.582 3.112 -5.692 1.00 0.00 C ATOM 1441 CD2 PHE A 91 -1.048 2.168 -4.056 1.00 0.00 C ATOM 1442 CE1 PHE A 91 -2.082 4.396 -5.409 1.00 0.00 C ATOM 1443 CE2 PHE A 91 -0.556 3.453 -3.771 1.00 0.00 C ATOM 1444 CZ PHE A 91 -1.082 4.570 -4.444 1.00 0.00 C ATOM 0 H PHE A 91 -2.296 -1.798 -5.911 1.00 0.00 H new ATOM 0 HA PHE A 91 -2.511 0.480 -7.556 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -3.587 0.571 -5.464 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -2.212 -0.095 -4.607 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -3.367 2.986 -6.423 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -0.650 1.311 -3.533 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -2.472 5.253 -5.939 1.00 0.00 H new ATOM 0 HE2 PHE A 91 0.225 3.583 -3.036 1.00 0.00 H new ATOM 0 HZ PHE A 91 -0.716 5.560 -4.217 1.00 0.00 H new ATOM 1454 N MET A 92 0.499 0.050 -6.230 1.00 0.00 N ATOM 1455 CA MET A 92 1.913 0.442 -6.315 1.00 0.00 C ATOM 1456 C MET A 92 2.444 0.246 -7.745 1.00 0.00 C ATOM 1457 O MET A 92 3.118 1.120 -8.289 1.00 0.00 O ATOM 1458 CB MET A 92 2.732 -0.380 -5.303 1.00 0.00 C ATOM 1459 CG MET A 92 2.317 -0.158 -3.840 1.00 0.00 C ATOM 1460 SD MET A 92 2.992 1.295 -3.007 1.00 0.00 S ATOM 1461 CE MET A 92 1.878 1.300 -1.580 1.00 0.00 C ATOM 0 H MET A 92 0.331 -0.710 -5.571 1.00 0.00 H new ATOM 0 HA MET A 92 2.010 1.500 -6.070 1.00 0.00 H new ATOM 0 HB2 MET A 92 2.631 -1.438 -5.543 1.00 0.00 H new ATOM 0 HB3 MET A 92 3.787 -0.128 -5.414 1.00 0.00 H new ATOM 0 HG2 MET A 92 1.229 -0.095 -3.802 1.00 0.00 H new ATOM 0 HG3 MET A 92 2.605 -1.040 -3.269 1.00 0.00 H new ATOM 0 HE1 MET A 92 2.151 2.114 -0.908 1.00 0.00 H new ATOM 0 HE2 MET A 92 0.852 1.439 -1.920 1.00 0.00 H new ATOM 0 HE3 MET A 92 1.959 0.350 -1.051 1.00 0.00 H new ATOM 1471 N ILE A 93 2.088 -0.870 -8.388 1.00 0.00 N ATOM 1472 CA ILE A 93 2.472 -1.173 -9.780 1.00 0.00 C ATOM 1473 C ILE A 93 1.751 -0.249 -10.777 1.00 0.00 C ATOM 1474 O ILE A 93 2.380 0.319 -11.668 1.00 0.00 O ATOM 1475 CB ILE A 93 2.224 -2.673 -10.079 1.00 0.00 C ATOM 1476 CG1 ILE A 93 3.073 -3.577 -9.154 1.00 0.00 C ATOM 1477 CG2 ILE A 93 2.551 -3.023 -11.543 1.00 0.00 C ATOM 1478 CD1 ILE A 93 2.582 -5.029 -9.107 1.00 0.00 C ATOM 0 H ILE A 93 1.519 -1.599 -7.957 1.00 0.00 H new ATOM 0 HA ILE A 93 3.537 -0.979 -9.903 1.00 0.00 H new ATOM 0 HB ILE A 93 1.165 -2.853 -9.895 1.00 0.00 H new ATOM 0 HG12 ILE A 93 4.109 -3.562 -9.494 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.062 -3.164 -8.145 1.00 0.00 H new ATOM 0 HG21 ILE A 93 2.365 -4.083 -11.714 1.00 0.00 H new ATOM 0 HG22 ILE A 93 1.921 -2.432 -12.208 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.599 -2.802 -11.745 1.00 0.00 H new ATOM 0 HD11 ILE A 93 3.221 -5.608 -8.440 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.556 -5.055 -8.739 1.00 0.00 H new ATOM 0 HD13 ILE A 93 2.619 -5.458 -10.108 1.00 0.00 H new ATOM 1490 N SER A 94 0.438 -0.076 -10.634 1.00 0.00 N ATOM 1491 CA SER A 94 -0.410 0.630 -11.605 1.00 0.00 C ATOM 1492 C SER A 94 -0.298 2.163 -11.532 1.00 0.00 C ATOM 1493 O SER A 94 -0.137 2.826 -12.562 1.00 0.00 O ATOM 1494 CB SER A 94 -1.873 0.212 -11.369 1.00 0.00 C ATOM 1495 OG SER A 94 -2.778 0.892 -12.231 1.00 0.00 O ATOM 0 H SER A 94 -0.079 -0.427 -9.828 1.00 0.00 H new ATOM 0 HA SER A 94 -0.063 0.348 -12.599 1.00 0.00 H new ATOM 0 HB2 SER A 94 -1.970 -0.863 -11.521 1.00 0.00 H new ATOM 0 HB3 SER A 94 -2.143 0.413 -10.332 1.00 0.00 H new ATOM 0 HG SER A 94 -3.693 0.594 -12.046 1.00 0.00 H new ATOM 1501 N GLN A 95 -0.401 2.743 -10.331 1.00 0.00 N ATOM 1502 CA GLN A 95 -0.559 4.188 -10.141 1.00 0.00 C ATOM 1503 C GLN A 95 0.757 4.902 -9.800 1.00 0.00 C ATOM 1504 O GLN A 95 0.957 6.031 -10.252 1.00 0.00 O ATOM 1505 CB GLN A 95 -1.611 4.444 -9.048 1.00 0.00 C ATOM 1506 CG GLN A 95 -3.002 3.858 -9.365 1.00 0.00 C ATOM 1507 CD GLN A 95 -3.614 4.426 -10.649 1.00 0.00 C ATOM 1508 OE1 GLN A 95 -4.035 5.575 -10.709 1.00 0.00 O ATOM 1509 NE2 GLN A 95 -3.671 3.673 -11.729 1.00 0.00 N ATOM 0 H GLN A 95 -0.377 2.218 -9.457 1.00 0.00 H new ATOM 0 HA GLN A 95 -0.891 4.607 -11.091 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -1.255 4.020 -8.109 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -1.707 5.519 -8.896 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -2.921 2.775 -9.456 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -3.673 4.058 -8.530 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -3.326 2.714 -11.701 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -4.060 4.050 -12.593 1.00 0.00 H new ATOM 1518 N LEU A 96 1.667 4.261 -9.052 1.00 0.00 N ATOM 1519 CA LEU A 96 3.007 4.812 -8.789 1.00 0.00 C ATOM 1520 C LEU A 96 4.014 4.450 -9.897 1.00 0.00 C ATOM 1521 O LEU A 96 5.092 5.044 -9.966 1.00 0.00 O ATOM 1522 CB LEU A 96 3.527 4.363 -7.409 1.00 0.00 C ATOM 1523 CG LEU A 96 2.549 4.546 -6.229 1.00 0.00 C ATOM 1524 CD1 LEU A 96 3.256 4.149 -4.929 1.00 0.00 C ATOM 1525 CD2 LEU A 96 2.026 5.986 -6.106 1.00 0.00 C ATOM 0 H LEU A 96 1.499 3.355 -8.615 1.00 0.00 H new ATOM 0 HA LEU A 96 2.909 5.898 -8.786 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.800 3.309 -7.470 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.440 4.916 -7.188 1.00 0.00 H new ATOM 0 HG LEU A 96 1.686 3.907 -6.416 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.572 4.275 -4.090 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.569 3.107 -4.989 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.131 4.782 -4.783 1.00 0.00 H new ATOM 0 HD21 LEU A 96 1.343 6.054 -5.259 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.864 6.666 -5.952 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.499 6.261 -7.020 1.00 0.00 H new ATOM 1537 N GLY A 97 3.672 3.484 -10.762 1.00 0.00 N ATOM 1538 CA GLY A 97 4.499 3.031 -11.887 1.00 0.00 C ATOM 1539 C GLY A 97 5.645 2.102 -11.479 1.00 0.00 C ATOM 1540 O GLY A 97 6.581 1.922 -12.261 1.00 0.00 O ATOM 0 H GLY A 97 2.786 2.983 -10.695 1.00 0.00 H new ATOM 0 HA2 GLY A 97 3.864 2.514 -12.607 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.913 3.902 -12.395 1.00 0.00 H new ATOM 1544 N LEU A 98 5.608 1.540 -10.262 1.00 0.00 N ATOM 1545 CA LEU A 98 6.671 0.688 -9.724 1.00 0.00 C ATOM 1546 C LEU A 98 6.712 -0.684 -10.421 1.00 0.00 C ATOM 1547 O LEU A 98 5.698 -1.176 -10.917 1.00 0.00 O ATOM 1548 CB LEU A 98 6.502 0.547 -8.199 1.00 0.00 C ATOM 1549 CG LEU A 98 6.774 1.858 -7.427 1.00 0.00 C ATOM 1550 CD1 LEU A 98 6.248 1.717 -5.998 1.00 0.00 C ATOM 1551 CD2 LEU A 98 8.275 2.182 -7.386 1.00 0.00 C ATOM 0 H LEU A 98 4.828 1.668 -9.618 1.00 0.00 H new ATOM 0 HA LEU A 98 7.631 1.164 -9.925 1.00 0.00 H new ATOM 0 HB2 LEU A 98 5.488 0.211 -7.983 1.00 0.00 H new ATOM 0 HB3 LEU A 98 7.179 -0.227 -7.836 1.00 0.00 H new ATOM 0 HG LEU A 98 6.264 2.672 -7.942 1.00 0.00 H new ATOM 0 HD11 LEU A 98 6.437 2.639 -5.448 1.00 0.00 H new ATOM 0 HD12 LEU A 98 5.176 1.522 -6.023 1.00 0.00 H new ATOM 0 HD13 LEU A 98 6.756 0.889 -5.503 1.00 0.00 H new ATOM 0 HD21 LEU A 98 8.432 3.110 -6.836 1.00 0.00 H new ATOM 0 HD22 LEU A 98 8.809 1.371 -6.890 1.00 0.00 H new ATOM 0 HD23 LEU A 98 8.651 2.295 -8.403 1.00 0.00 H new ATOM 1563 N GLN A 99 7.884 -1.319 -10.445 1.00 0.00 N ATOM 1564 CA GLN A 99 8.036 -2.684 -10.959 1.00 0.00 C ATOM 1565 C GLN A 99 7.656 -3.700 -9.872 1.00 0.00 C ATOM 1566 O GLN A 99 7.993 -3.523 -8.701 1.00 0.00 O ATOM 1567 CB GLN A 99 9.468 -2.911 -11.481 1.00 0.00 C ATOM 1568 CG GLN A 99 9.755 -2.047 -12.726 1.00 0.00 C ATOM 1569 CD GLN A 99 11.113 -2.317 -13.385 1.00 0.00 C ATOM 1570 OE1 GLN A 99 11.816 -3.282 -13.105 1.00 0.00 O ATOM 1571 NE2 GLN A 99 11.543 -1.474 -14.302 1.00 0.00 N ATOM 0 H GLN A 99 8.754 -0.905 -10.110 1.00 0.00 H new ATOM 0 HA GLN A 99 7.359 -2.827 -11.801 1.00 0.00 H new ATOM 0 HB2 GLN A 99 10.186 -2.671 -10.696 1.00 0.00 H new ATOM 0 HB3 GLN A 99 9.605 -3.964 -11.727 1.00 0.00 H new ATOM 0 HG2 GLN A 99 8.968 -2.217 -13.461 1.00 0.00 H new ATOM 0 HG3 GLN A 99 9.705 -0.996 -12.443 1.00 0.00 H new ATOM 0 HE21 GLN A 99 10.978 -0.663 -14.554 1.00 0.00 H new ATOM 0 HE22 GLN A 99 12.441 -1.633 -14.760 1.00 0.00 H new ATOM 1580 N LYS A 100 6.969 -4.783 -10.254 1.00 0.00 N ATOM 1581 CA LYS A 100 6.444 -5.794 -9.320 1.00 0.00 C ATOM 1582 C LYS A 100 7.524 -6.383 -8.389 1.00 0.00 C ATOM 1583 O LYS A 100 7.273 -6.627 -7.207 1.00 0.00 O ATOM 1584 CB LYS A 100 5.724 -6.871 -10.135 1.00 0.00 C ATOM 1585 CG LYS A 100 5.048 -7.905 -9.221 1.00 0.00 C ATOM 1586 CD LYS A 100 3.995 -8.668 -10.025 1.00 0.00 C ATOM 1587 CE LYS A 100 3.400 -9.870 -9.276 1.00 0.00 C ATOM 1588 NZ LYS A 100 4.368 -10.991 -9.126 1.00 0.00 N ATOM 0 H LYS A 100 6.758 -4.987 -11.231 1.00 0.00 H new ATOM 0 HA LYS A 100 5.739 -5.313 -8.642 1.00 0.00 H new ATOM 0 HB2 LYS A 100 4.976 -6.405 -10.776 1.00 0.00 H new ATOM 0 HB3 LYS A 100 6.437 -7.372 -10.789 1.00 0.00 H new ATOM 0 HG2 LYS A 100 5.790 -8.596 -8.821 1.00 0.00 H new ATOM 0 HG3 LYS A 100 4.584 -7.408 -8.369 1.00 0.00 H new ATOM 0 HD2 LYS A 100 3.190 -7.984 -10.295 1.00 0.00 H new ATOM 0 HD3 LYS A 100 4.443 -9.016 -10.956 1.00 0.00 H new ATOM 0 HE2 LYS A 100 3.067 -9.549 -8.289 1.00 0.00 H new ATOM 0 HE3 LYS A 100 2.519 -10.226 -9.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 3.915 -11.775 -8.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 4.668 -11.319 -10.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 5.199 -10.663 -8.593 1.00 0.00 H new ATOM 1602 N LYS A 101 8.750 -6.550 -8.902 1.00 0.00 N ATOM 1603 CA LYS A 101 9.918 -7.070 -8.170 1.00 0.00 C ATOM 1604 C LYS A 101 10.274 -6.276 -6.893 1.00 0.00 C ATOM 1605 O LYS A 101 10.879 -6.832 -5.977 1.00 0.00 O ATOM 1606 CB LYS A 101 11.106 -7.144 -9.152 1.00 0.00 C ATOM 1607 CG LYS A 101 11.742 -5.772 -9.428 1.00 0.00 C ATOM 1608 CD LYS A 101 12.729 -5.803 -10.597 1.00 0.00 C ATOM 1609 CE LYS A 101 13.499 -4.476 -10.631 1.00 0.00 C ATOM 1610 NZ LYS A 101 14.209 -4.284 -11.919 1.00 0.00 N ATOM 0 H LYS A 101 8.966 -6.319 -9.872 1.00 0.00 H new ATOM 0 HA LYS A 101 9.666 -8.063 -7.798 1.00 0.00 H new ATOM 0 HB2 LYS A 101 11.864 -7.815 -8.747 1.00 0.00 H new ATOM 0 HB3 LYS A 101 10.766 -7.577 -10.093 1.00 0.00 H new ATOM 0 HG2 LYS A 101 10.956 -5.048 -9.641 1.00 0.00 H new ATOM 0 HG3 LYS A 101 12.258 -5.428 -8.531 1.00 0.00 H new ATOM 0 HD2 LYS A 101 13.421 -6.638 -10.484 1.00 0.00 H new ATOM 0 HD3 LYS A 101 12.197 -5.954 -11.536 1.00 0.00 H new ATOM 0 HE2 LYS A 101 12.806 -3.650 -10.471 1.00 0.00 H new ATOM 0 HE3 LYS A 101 14.218 -4.452 -9.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 15.009 -3.634 -11.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 14.563 -5.201 -12.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 13.554 -3.883 -12.620 1.00 0.00 H new ATOM 1624 N ASN A 102 9.882 -5.000 -6.807 1.00 0.00 N ATOM 1625 CA ASN A 102 10.148 -4.116 -5.663 1.00 0.00 C ATOM 1626 C ASN A 102 9.247 -4.417 -4.444 1.00 0.00 C ATOM 1627 O ASN A 102 9.462 -3.854 -3.370 1.00 0.00 O ATOM 1628 CB ASN A 102 9.958 -2.646 -6.091 1.00 0.00 C ATOM 1629 CG ASN A 102 10.964 -2.135 -7.124 1.00 0.00 C ATOM 1630 OD1 ASN A 102 11.423 -2.835 -8.018 1.00 0.00 O ATOM 1631 ND2 ASN A 102 11.344 -0.874 -7.031 1.00 0.00 N ATOM 0 H ASN A 102 9.357 -4.540 -7.550 1.00 0.00 H new ATOM 0 HA ASN A 102 11.177 -4.298 -5.353 1.00 0.00 H new ATOM 0 HB2 ASN A 102 8.953 -2.529 -6.497 1.00 0.00 H new ATOM 0 HB3 ASN A 102 10.019 -2.015 -5.204 1.00 0.00 H new ATOM 0 HD21 ASN A 102 12.013 -0.492 -7.700 1.00 0.00 H new ATOM 0 HD22 ASN A 102 10.968 -0.281 -6.291 1.00 0.00 H new ATOM 1638 N ILE A 103 8.218 -5.261 -4.595 1.00 0.00 N ATOM 1639 CA ILE A 103 7.160 -5.471 -3.594 1.00 0.00 C ATOM 1640 C ILE A 103 7.209 -6.902 -3.043 1.00 0.00 C ATOM 1641 O ILE A 103 7.298 -7.878 -3.793 1.00 0.00 O ATOM 1642 CB ILE A 103 5.773 -5.144 -4.203 1.00 0.00 C ATOM 1643 CG1 ILE A 103 5.750 -3.747 -4.880 1.00 0.00 C ATOM 1644 CG2 ILE A 103 4.694 -5.219 -3.101 1.00 0.00 C ATOM 1645 CD1 ILE A 103 4.507 -3.511 -5.737 1.00 0.00 C ATOM 0 H ILE A 103 8.094 -5.829 -5.433 1.00 0.00 H new ATOM 0 HA ILE A 103 7.329 -4.793 -2.758 1.00 0.00 H new ATOM 0 HB ILE A 103 5.564 -5.883 -4.977 1.00 0.00 H new ATOM 0 HG12 ILE A 103 5.804 -2.977 -4.110 1.00 0.00 H new ATOM 0 HG13 ILE A 103 6.638 -3.638 -5.502 1.00 0.00 H new ATOM 0 HG21 ILE A 103 3.719 -4.989 -3.530 1.00 0.00 H new ATOM 0 HG22 ILE A 103 4.676 -6.223 -2.677 1.00 0.00 H new ATOM 0 HG23 ILE A 103 4.924 -4.498 -2.317 1.00 0.00 H new ATOM 0 HD11 ILE A 103 4.554 -2.517 -6.181 1.00 0.00 H new ATOM 0 HD12 ILE A 103 4.463 -4.260 -6.528 1.00 0.00 H new ATOM 0 HD13 ILE A 103 3.616 -3.588 -5.114 1.00 0.00 H new ATOM 1657 N LYS A 104 7.112 -7.020 -1.720 1.00 0.00 N ATOM 1658 CA LYS A 104 6.953 -8.263 -0.965 1.00 0.00 C ATOM 1659 C LYS A 104 5.544 -8.325 -0.343 1.00 0.00 C ATOM 1660 O LYS A 104 5.124 -7.407 0.370 1.00 0.00 O ATOM 1661 CB LYS A 104 8.022 -8.318 0.141 1.00 0.00 C ATOM 1662 CG LYS A 104 9.488 -8.294 -0.321 1.00 0.00 C ATOM 1663 CD LYS A 104 9.870 -9.508 -1.177 1.00 0.00 C ATOM 1664 CE LYS A 104 11.398 -9.583 -1.296 1.00 0.00 C ATOM 1665 NZ LYS A 104 11.836 -10.712 -2.159 1.00 0.00 N ATOM 0 H LYS A 104 7.144 -6.203 -1.110 1.00 0.00 H new ATOM 0 HA LYS A 104 7.075 -9.116 -1.633 1.00 0.00 H new ATOM 0 HB2 LYS A 104 7.862 -7.474 0.813 1.00 0.00 H new ATOM 0 HB3 LYS A 104 7.863 -9.225 0.725 1.00 0.00 H new ATOM 0 HG2 LYS A 104 9.668 -7.383 -0.892 1.00 0.00 H new ATOM 0 HG3 LYS A 104 10.138 -8.255 0.553 1.00 0.00 H new ATOM 0 HD2 LYS A 104 9.483 -10.422 -0.726 1.00 0.00 H new ATOM 0 HD3 LYS A 104 9.420 -9.426 -2.166 1.00 0.00 H new ATOM 0 HE2 LYS A 104 11.776 -8.646 -1.705 1.00 0.00 H new ATOM 0 HE3 LYS A 104 11.834 -9.696 -0.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 12.875 -10.726 -2.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 11.498 -11.609 -1.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 11.442 -10.592 -3.114 1.00 0.00 H new ATOM 1679 N ILE A 105 4.813 -9.414 -0.587 1.00 0.00 N ATOM 1680 CA ILE A 105 3.504 -9.695 0.029 1.00 0.00 C ATOM 1681 C ILE A 105 3.709 -10.704 1.168 1.00 0.00 C ATOM 1682 O ILE A 105 4.282 -11.773 0.955 1.00 0.00 O ATOM 1683 CB ILE A 105 2.506 -10.196 -1.046 1.00 0.00 C ATOM 1684 CG1 ILE A 105 2.245 -9.083 -2.094 1.00 0.00 C ATOM 1685 CG2 ILE A 105 1.182 -10.639 -0.396 1.00 0.00 C ATOM 1686 CD1 ILE A 105 1.284 -9.487 -3.220 1.00 0.00 C ATOM 0 H ILE A 105 5.116 -10.144 -1.231 1.00 0.00 H new ATOM 0 HA ILE A 105 3.071 -8.789 0.453 1.00 0.00 H new ATOM 0 HB ILE A 105 2.945 -11.057 -1.549 1.00 0.00 H new ATOM 0 HG12 ILE A 105 1.841 -8.208 -1.584 1.00 0.00 H new ATOM 0 HG13 ILE A 105 3.196 -8.785 -2.534 1.00 0.00 H new ATOM 0 HG21 ILE A 105 0.496 -10.987 -1.168 1.00 0.00 H new ATOM 0 HG22 ILE A 105 1.375 -11.448 0.309 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.736 -9.796 0.132 1.00 0.00 H new ATOM 0 HD11 ILE A 105 1.158 -8.651 -3.908 1.00 0.00 H new ATOM 0 HD12 ILE A 105 1.694 -10.341 -3.759 1.00 0.00 H new ATOM 0 HD13 ILE A 105 0.317 -9.756 -2.794 1.00 0.00 H new