USER MOD reduce.3.24.130724 H: found=0, std=0, add=379, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 379 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 91 MET CE :methyl 180:sc= -0.0441 (180deg=-0.0441) USER MOD Set 1.2: A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ -135:sc= -0.0633 (180deg=-0.533) USER MOD Single : A 89 HIS : no HE2:sc= -2.43 K(o=-2.4,f=-5.7!) USER MOD Single : A 100 TYR OH : rot -12:sc= 0.366 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0.0962 USER MOD Single : A 113 ASN : amide:sc= -1.6 K(o=-1.6,f=-3.6!) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot -30:sc= 1.34 USER MOD Single : A 117 SER OG : rot 180:sc= 0.0154 USER MOD Single : A 121 CYS SG : rot -85:sc= -0.251 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 124 CYS SG : rot 93:sc= -0.607 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 GLN : amide:sc= -1.18 K(o=-1.2,f=-3.7!) USER MOD Single : A 131 TYR OH : rot 180:sc= 0 USER MOD Single : A 133 ASN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 135 HIS : no HD1:sc= -0.112 X(o=-0.11,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 462 N VAL A 82 67.242 8.067 -49.662 1.00 0.00 N ATOM 463 CA VAL A 82 67.347 8.831 -50.899 1.00 0.00 C ATOM 464 C VAL A 82 67.518 7.910 -52.101 1.00 0.00 C ATOM 465 O VAL A 82 68.125 6.844 -51.999 1.00 0.00 O ATOM 466 CB VAL A 82 68.527 9.819 -50.850 1.00 0.00 C ATOM 467 CG1 VAL A 82 68.504 10.740 -52.061 1.00 0.00 C ATOM 468 CG2 VAL A 82 68.497 10.623 -49.559 1.00 0.00 C ATOM 0 HA VAL A 82 66.418 9.392 -51.005 1.00 0.00 H new ATOM 0 HB VAL A 82 69.456 9.249 -50.874 1.00 0.00 H new ATOM 0 HG11 VAL A 82 69.345 11.431 -52.009 1.00 0.00 H new ATOM 0 HG12 VAL A 82 68.579 10.146 -52.972 1.00 0.00 H new ATOM 0 HG13 VAL A 82 67.571 11.304 -52.071 1.00 0.00 H new ATOM 0 HG21 VAL A 82 69.338 11.316 -49.542 1.00 0.00 H new ATOM 0 HG22 VAL A 82 67.564 11.184 -49.501 1.00 0.00 H new ATOM 0 HG23 VAL A 82 68.567 9.946 -48.707 1.00 0.00 H new ATOM 478 N VAL A 83 66.979 8.329 -53.242 1.00 0.00 N ATOM 479 CA VAL A 83 67.074 7.542 -54.466 1.00 0.00 C ATOM 480 C VAL A 83 68.513 7.469 -54.963 1.00 0.00 C ATOM 481 O VAL A 83 69.103 8.483 -55.337 1.00 0.00 O ATOM 482 CB VAL A 83 66.187 8.129 -55.580 1.00 0.00 C ATOM 483 CG1 VAL A 83 66.150 7.195 -56.781 1.00 0.00 C ATOM 484 CG2 VAL A 83 64.783 8.395 -55.058 1.00 0.00 C ATOM 0 H VAL A 83 66.472 9.208 -53.344 1.00 0.00 H new ATOM 0 HA VAL A 83 66.725 6.538 -54.224 1.00 0.00 H new ATOM 0 HB VAL A 83 66.617 9.078 -55.901 1.00 0.00 H new ATOM 0 HG11 VAL A 83 65.519 7.626 -57.558 1.00 0.00 H new ATOM 0 HG12 VAL A 83 67.160 7.060 -57.168 1.00 0.00 H new ATOM 0 HG13 VAL A 83 65.745 6.229 -56.479 1.00 0.00 H new ATOM 0 HG21 VAL A 83 64.170 8.810 -55.858 1.00 0.00 H new ATOM 0 HG22 VAL A 83 64.342 7.461 -54.709 1.00 0.00 H new ATOM 0 HG23 VAL A 83 64.830 9.105 -54.232 1.00 0.00 H new ATOM 494 N GLU A 84 69.073 6.264 -54.965 1.00 0.00 N ATOM 495 CA GLU A 84 70.445 6.059 -55.416 1.00 0.00 C ATOM 496 C GLU A 84 70.507 5.956 -56.937 1.00 0.00 C ATOM 497 O GLU A 84 71.245 6.694 -57.591 1.00 0.00 O ATOM 498 CB GLU A 84 71.030 4.795 -54.783 1.00 0.00 C ATOM 499 CG GLU A 84 72.508 4.596 -55.076 1.00 0.00 C ATOM 500 CD GLU A 84 73.303 5.882 -54.963 1.00 0.00 C ATOM 501 OE1 GLU A 84 73.263 6.690 -55.915 1.00 0.00 O ATOM 502 OE2 GLU A 84 73.965 6.082 -53.923 1.00 0.00 O ATOM 0 H GLU A 84 68.598 5.415 -54.659 1.00 0.00 H new ATOM 0 HA GLU A 84 71.036 6.920 -55.103 1.00 0.00 H new ATOM 0 HB2 GLU A 84 70.885 4.839 -53.704 1.00 0.00 H new ATOM 0 HB3 GLU A 84 70.477 3.928 -55.144 1.00 0.00 H new ATOM 0 HG2 GLU A 84 72.916 3.859 -54.384 1.00 0.00 H new ATOM 0 HG3 GLU A 84 72.624 4.189 -56.080 1.00 0.00 H new ATOM 509 N LYS A 85 69.728 5.035 -57.494 1.00 0.00 N ATOM 510 CA LYS A 85 69.693 4.834 -58.938 1.00 0.00 C ATOM 511 C LYS A 85 68.589 3.855 -59.324 1.00 0.00 C ATOM 512 O LYS A 85 67.930 3.275 -58.461 1.00 0.00 O ATOM 513 CB LYS A 85 71.045 4.316 -59.434 1.00 0.00 C ATOM 514 CG LYS A 85 71.356 2.899 -58.983 1.00 0.00 C ATOM 515 CD LYS A 85 72.854 2.668 -58.864 1.00 0.00 C ATOM 516 CE LYS A 85 73.452 2.201 -60.182 1.00 0.00 C ATOM 517 NZ LYS A 85 74.658 1.353 -59.974 1.00 0.00 N ATOM 0 H LYS A 85 69.112 4.416 -56.967 1.00 0.00 H new ATOM 0 HA LYS A 85 69.484 5.795 -59.409 1.00 0.00 H new ATOM 0 HB2 LYS A 85 71.062 4.354 -60.523 1.00 0.00 H new ATOM 0 HB3 LYS A 85 71.832 4.982 -59.080 1.00 0.00 H new ATOM 0 HG2 LYS A 85 70.880 2.710 -58.021 1.00 0.00 H new ATOM 0 HG3 LYS A 85 70.933 2.189 -59.693 1.00 0.00 H new ATOM 0 HD2 LYS A 85 73.342 3.590 -58.549 1.00 0.00 H new ATOM 0 HD3 LYS A 85 73.048 1.924 -58.091 1.00 0.00 H new ATOM 0 HE2 LYS A 85 72.704 1.638 -60.741 1.00 0.00 H new ATOM 0 HE3 LYS A 85 73.717 3.067 -60.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 75.036 1.055 -60.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 75.382 1.898 -59.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 74.400 0.513 -59.418 1.00 0.00 H new ATOM 531 N VAL A 86 68.393 3.675 -60.626 1.00 0.00 N ATOM 532 CA VAL A 86 67.370 2.765 -61.127 1.00 0.00 C ATOM 533 C VAL A 86 67.790 1.311 -60.940 1.00 0.00 C ATOM 534 O VAL A 86 68.832 0.885 -61.438 1.00 0.00 O ATOM 535 CB VAL A 86 67.076 3.015 -62.618 1.00 0.00 C ATOM 536 CG1 VAL A 86 66.037 2.029 -63.130 1.00 0.00 C ATOM 537 CG2 VAL A 86 66.616 4.449 -62.836 1.00 0.00 C ATOM 0 H VAL A 86 68.930 4.148 -61.353 1.00 0.00 H new ATOM 0 HA VAL A 86 66.466 2.957 -60.550 1.00 0.00 H new ATOM 0 HB VAL A 86 67.995 2.862 -63.183 1.00 0.00 H new ATOM 0 HG11 VAL A 86 65.842 2.221 -64.185 1.00 0.00 H new ATOM 0 HG12 VAL A 86 66.410 1.012 -63.009 1.00 0.00 H new ATOM 0 HG13 VAL A 86 65.113 2.147 -62.563 1.00 0.00 H new ATOM 0 HG21 VAL A 86 66.413 4.609 -63.895 1.00 0.00 H new ATOM 0 HG22 VAL A 86 65.708 4.631 -62.260 1.00 0.00 H new ATOM 0 HG23 VAL A 86 67.397 5.135 -62.509 1.00 0.00 H new ATOM 547 N LEU A 87 66.971 0.553 -60.219 1.00 0.00 N ATOM 548 CA LEU A 87 67.256 -0.855 -59.966 1.00 0.00 C ATOM 549 C LEU A 87 66.933 -1.705 -61.191 1.00 0.00 C ATOM 550 O LEU A 87 67.805 -2.380 -61.740 1.00 0.00 O ATOM 551 CB LEU A 87 66.453 -1.350 -58.762 1.00 0.00 C ATOM 552 CG LEU A 87 66.720 -2.791 -58.324 1.00 0.00 C ATOM 553 CD1 LEU A 87 65.951 -3.767 -59.201 1.00 0.00 C ATOM 554 CD2 LEU A 87 68.210 -3.094 -58.366 1.00 0.00 C ATOM 0 H LEU A 87 66.104 0.890 -59.799 1.00 0.00 H new ATOM 0 HA LEU A 87 68.320 -0.951 -59.750 1.00 0.00 H new ATOM 0 HB2 LEU A 87 66.658 -0.691 -57.918 1.00 0.00 H new ATOM 0 HB3 LEU A 87 65.392 -1.252 -58.993 1.00 0.00 H new ATOM 0 HG LEU A 87 66.375 -2.908 -57.297 1.00 0.00 H new ATOM 0 HD11 LEU A 87 66.153 -4.787 -58.874 1.00 0.00 H new ATOM 0 HD12 LEU A 87 64.883 -3.565 -59.120 1.00 0.00 H new ATOM 0 HD13 LEU A 87 66.265 -3.649 -60.238 1.00 0.00 H new ATOM 0 HD21 LEU A 87 68.381 -4.123 -58.051 1.00 0.00 H new ATOM 0 HD22 LEU A 87 68.580 -2.959 -59.382 1.00 0.00 H new ATOM 0 HD23 LEU A 87 68.738 -2.417 -57.695 1.00 0.00 H new ATOM 566 N LYS A 88 65.675 -1.666 -61.617 1.00 0.00 N ATOM 567 CA LYS A 88 65.236 -2.429 -62.779 1.00 0.00 C ATOM 568 C LYS A 88 64.230 -1.633 -63.604 1.00 0.00 C ATOM 569 O LYS A 88 63.830 -0.533 -63.221 1.00 0.00 O ATOM 570 CB LYS A 88 64.614 -3.756 -62.339 1.00 0.00 C ATOM 571 CG LYS A 88 63.284 -3.596 -61.623 1.00 0.00 C ATOM 572 CD LYS A 88 62.636 -4.942 -61.343 1.00 0.00 C ATOM 573 CE LYS A 88 62.284 -5.670 -62.631 1.00 0.00 C ATOM 574 NZ LYS A 88 61.206 -6.675 -62.422 1.00 0.00 N ATOM 0 H LYS A 88 64.941 -1.113 -61.174 1.00 0.00 H new ATOM 0 HA LYS A 88 66.109 -2.632 -63.399 1.00 0.00 H new ATOM 0 HB2 LYS A 88 64.472 -4.389 -63.215 1.00 0.00 H new ATOM 0 HB3 LYS A 88 65.311 -4.274 -61.681 1.00 0.00 H new ATOM 0 HG2 LYS A 88 63.437 -3.062 -60.685 1.00 0.00 H new ATOM 0 HG3 LYS A 88 62.614 -2.988 -62.230 1.00 0.00 H new ATOM 0 HD2 LYS A 88 63.313 -5.557 -60.750 1.00 0.00 H new ATOM 0 HD3 LYS A 88 61.734 -4.796 -60.748 1.00 0.00 H new ATOM 0 HE2 LYS A 88 61.966 -4.947 -63.382 1.00 0.00 H new ATOM 0 HE3 LYS A 88 63.172 -6.166 -63.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 61.460 -7.562 -62.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 61.091 -6.854 -61.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 60.313 -6.313 -62.813 1.00 0.00 H new ATOM 588 N HIS A 89 63.824 -2.195 -64.738 1.00 0.00 N ATOM 589 CA HIS A 89 62.863 -1.538 -65.616 1.00 0.00 C ATOM 590 C HIS A 89 61.815 -2.529 -66.114 1.00 0.00 C ATOM 591 O HIS A 89 62.136 -3.669 -66.451 1.00 0.00 O ATOM 592 CB HIS A 89 63.581 -0.898 -66.805 1.00 0.00 C ATOM 593 CG HIS A 89 62.653 -0.418 -67.878 1.00 0.00 C ATOM 594 ND1 HIS A 89 62.863 -0.661 -69.219 1.00 0.00 N ATOM 595 CD2 HIS A 89 61.503 0.291 -67.802 1.00 0.00 C ATOM 596 CE1 HIS A 89 61.884 -0.119 -69.921 1.00 0.00 C ATOM 597 NE2 HIS A 89 61.045 0.464 -69.085 1.00 0.00 N ATOM 0 H HIS A 89 64.146 -3.104 -65.070 1.00 0.00 H new ATOM 0 HA HIS A 89 62.359 -0.760 -65.043 1.00 0.00 H new ATOM 0 HB2 HIS A 89 64.177 -0.058 -66.449 1.00 0.00 H new ATOM 0 HB3 HIS A 89 64.274 -1.622 -67.233 1.00 0.00 H new ATOM 0 HD1 HIS A 89 63.651 -1.178 -69.608 1.00 0.00 H new ATOM 0 HD2 HIS A 89 61.033 0.653 -66.900 1.00 0.00 H new ATOM 0 HE1 HIS A 89 61.787 -0.148 -70.996 1.00 0.00 H new ATOM 605 N ARG A 90 60.563 -2.088 -66.156 1.00 0.00 N ATOM 606 CA ARG A 90 59.468 -2.937 -66.610 1.00 0.00 C ATOM 607 C ARG A 90 58.396 -2.111 -67.316 1.00 0.00 C ATOM 608 O ARG A 90 58.253 -0.916 -67.062 1.00 0.00 O ATOM 609 CB ARG A 90 58.852 -3.687 -65.428 1.00 0.00 C ATOM 610 CG ARG A 90 58.185 -4.996 -65.818 1.00 0.00 C ATOM 611 CD ARG A 90 59.164 -6.159 -65.762 1.00 0.00 C ATOM 612 NE ARG A 90 58.599 -7.378 -66.334 1.00 0.00 N ATOM 613 CZ ARG A 90 59.320 -8.454 -66.629 1.00 0.00 C ATOM 614 NH1 ARG A 90 60.627 -8.462 -66.406 1.00 0.00 N ATOM 615 NH2 ARG A 90 58.734 -9.525 -67.148 1.00 0.00 N ATOM 0 H ARG A 90 60.281 -1.147 -65.881 1.00 0.00 H new ATOM 0 HA ARG A 90 59.872 -3.659 -67.319 1.00 0.00 H new ATOM 0 HB2 ARG A 90 59.630 -3.891 -64.692 1.00 0.00 H new ATOM 0 HB3 ARG A 90 58.116 -3.044 -64.944 1.00 0.00 H new ATOM 0 HG2 ARG A 90 57.347 -5.192 -65.149 1.00 0.00 H new ATOM 0 HG3 ARG A 90 57.776 -4.911 -66.825 1.00 0.00 H new ATOM 0 HD2 ARG A 90 60.074 -5.893 -66.301 1.00 0.00 H new ATOM 0 HD3 ARG A 90 59.449 -6.343 -64.726 1.00 0.00 H new ATOM 0 HE ARG A 90 57.596 -7.405 -66.517 1.00 0.00 H new ATOM 0 HH11 ARG A 90 61.081 -7.641 -66.007 1.00 0.00 H new ATOM 0 HH12 ARG A 90 61.178 -9.290 -66.633 1.00 0.00 H new ATOM 0 HH21 ARG A 90 57.729 -9.523 -67.321 1.00 0.00 H new ATOM 0 HH22 ARG A 90 59.289 -10.351 -67.374 1.00 0.00 H new ATOM 629 N MET A 91 57.647 -2.758 -68.203 1.00 0.00 N ATOM 630 CA MET A 91 56.588 -2.084 -68.945 1.00 0.00 C ATOM 631 C MET A 91 55.283 -2.089 -68.156 1.00 0.00 C ATOM 632 O MET A 91 54.984 -3.045 -67.440 1.00 0.00 O ATOM 633 CB MET A 91 56.380 -2.756 -70.303 1.00 0.00 C ATOM 634 CG MET A 91 55.198 -2.201 -71.081 1.00 0.00 C ATOM 635 SD MET A 91 55.445 -0.489 -71.592 1.00 0.00 S ATOM 636 CE MET A 91 55.652 -0.690 -73.360 1.00 0.00 C ATOM 0 H MET A 91 57.754 -3.748 -68.425 1.00 0.00 H new ATOM 0 HA MET A 91 56.892 -1.049 -69.103 1.00 0.00 H new ATOM 0 HB2 MET A 91 57.285 -2.639 -70.900 1.00 0.00 H new ATOM 0 HB3 MET A 91 56.235 -3.826 -70.151 1.00 0.00 H new ATOM 0 HG2 MET A 91 55.026 -2.818 -71.963 1.00 0.00 H new ATOM 0 HG3 MET A 91 54.300 -2.267 -70.466 1.00 0.00 H new ATOM 0 HE1 MET A 91 55.814 0.285 -73.820 1.00 0.00 H new ATOM 0 HE2 MET A 91 56.511 -1.331 -73.555 1.00 0.00 H new ATOM 0 HE3 MET A 91 54.756 -1.146 -73.782 1.00 0.00 H new ATOM 646 N ALA A 92 54.510 -1.017 -68.291 1.00 0.00 N ATOM 647 CA ALA A 92 53.237 -0.900 -67.592 1.00 0.00 C ATOM 648 C ALA A 92 52.266 -1.990 -68.033 1.00 0.00 C ATOM 649 O ALA A 92 52.029 -2.178 -69.226 1.00 0.00 O ATOM 650 CB ALA A 92 52.630 0.476 -67.827 1.00 0.00 C ATOM 0 H ALA A 92 54.743 -0.217 -68.879 1.00 0.00 H new ATOM 0 HA ALA A 92 53.424 -1.026 -66.526 1.00 0.00 H new ATOM 0 HB1 ALA A 92 51.679 0.549 -67.299 1.00 0.00 H new ATOM 0 HB2 ALA A 92 53.311 1.242 -67.456 1.00 0.00 H new ATOM 0 HB3 ALA A 92 52.464 0.623 -68.894 1.00 0.00 H new ATOM 716 N GLY A 97 52.639 3.684 -69.780 1.00 0.00 N ATOM 717 CA GLY A 97 54.010 3.878 -70.215 1.00 0.00 C ATOM 718 C GLY A 97 54.961 2.871 -69.600 1.00 0.00 C ATOM 719 O GLY A 97 54.653 1.682 -69.523 1.00 0.00 O ATOM 0 HA2 GLY A 97 54.058 3.802 -71.301 1.00 0.00 H new ATOM 0 HA3 GLY A 97 54.332 4.885 -69.952 1.00 0.00 H new ATOM 723 N TYR A 98 56.122 3.346 -69.163 1.00 0.00 N ATOM 724 CA TYR A 98 57.123 2.478 -68.555 1.00 0.00 C ATOM 725 C TYR A 98 57.236 2.742 -67.057 1.00 0.00 C ATOM 726 O TYR A 98 56.719 3.737 -66.551 1.00 0.00 O ATOM 727 CB TYR A 98 58.483 2.686 -69.225 1.00 0.00 C ATOM 728 CG TYR A 98 58.526 2.225 -70.664 1.00 0.00 C ATOM 729 CD1 TYR A 98 58.626 0.875 -70.979 1.00 0.00 C ATOM 730 CD2 TYR A 98 58.467 3.138 -71.709 1.00 0.00 C ATOM 731 CE1 TYR A 98 58.666 0.449 -72.292 1.00 0.00 C ATOM 732 CE2 TYR A 98 58.505 2.721 -73.026 1.00 0.00 C ATOM 733 CZ TYR A 98 58.604 1.376 -73.312 1.00 0.00 C ATOM 734 OH TYR A 98 58.644 0.956 -74.622 1.00 0.00 O ATOM 0 H TYR A 98 56.393 4.328 -69.219 1.00 0.00 H new ATOM 0 HA TYR A 98 56.808 1.445 -68.700 1.00 0.00 H new ATOM 0 HB2 TYR A 98 58.741 3.744 -69.183 1.00 0.00 H new ATOM 0 HB3 TYR A 98 59.244 2.150 -68.658 1.00 0.00 H new ATOM 0 HD1 TYR A 98 58.673 0.146 -70.183 1.00 0.00 H new ATOM 0 HD2 TYR A 98 58.390 4.192 -71.488 1.00 0.00 H new ATOM 0 HE1 TYR A 98 58.745 -0.604 -72.519 1.00 0.00 H new ATOM 0 HE2 TYR A 98 58.457 3.444 -73.826 1.00 0.00 H new ATOM 0 HH TYR A 98 58.589 1.733 -75.217 1.00 0.00 H new ATOM 744 N GLU A 99 57.918 1.843 -66.354 1.00 0.00 N ATOM 745 CA GLU A 99 58.099 1.978 -64.913 1.00 0.00 C ATOM 746 C GLU A 99 59.469 1.458 -64.486 1.00 0.00 C ATOM 747 O GLU A 99 59.899 0.387 -64.914 1.00 0.00 O ATOM 748 CB GLU A 99 56.998 1.222 -64.165 1.00 0.00 C ATOM 749 CG GLU A 99 56.790 -0.199 -64.662 1.00 0.00 C ATOM 750 CD GLU A 99 55.714 -0.936 -63.888 1.00 0.00 C ATOM 751 OE1 GLU A 99 55.715 -0.850 -62.642 1.00 0.00 O ATOM 752 OE2 GLU A 99 54.872 -1.598 -64.529 1.00 0.00 O ATOM 0 H GLU A 99 58.354 1.014 -66.758 1.00 0.00 H new ATOM 0 HA GLU A 99 58.037 3.037 -64.662 1.00 0.00 H new ATOM 0 HB2 GLU A 99 57.245 1.194 -63.104 1.00 0.00 H new ATOM 0 HB3 GLU A 99 56.062 1.772 -64.261 1.00 0.00 H new ATOM 0 HG2 GLU A 99 56.521 -0.175 -65.718 1.00 0.00 H new ATOM 0 HG3 GLU A 99 57.728 -0.748 -64.585 1.00 0.00 H new ATOM 759 N TYR A 100 60.148 2.224 -63.640 1.00 0.00 N ATOM 760 CA TYR A 100 61.470 1.844 -63.157 1.00 0.00 C ATOM 761 C TYR A 100 61.478 1.716 -61.637 1.00 0.00 C ATOM 762 O TYR A 100 60.885 2.532 -60.930 1.00 0.00 O ATOM 763 CB TYR A 100 62.513 2.872 -63.599 1.00 0.00 C ATOM 764 CG TYR A 100 62.356 3.314 -65.037 1.00 0.00 C ATOM 765 CD1 TYR A 100 61.482 4.340 -65.377 1.00 0.00 C ATOM 766 CD2 TYR A 100 63.079 2.706 -66.055 1.00 0.00 C ATOM 767 CE1 TYR A 100 61.334 4.747 -66.689 1.00 0.00 C ATOM 768 CE2 TYR A 100 62.939 3.107 -67.369 1.00 0.00 C ATOM 769 CZ TYR A 100 62.065 4.128 -67.681 1.00 0.00 C ATOM 770 OH TYR A 100 61.922 4.530 -68.989 1.00 0.00 O ATOM 0 H TYR A 100 59.805 3.112 -63.274 1.00 0.00 H new ATOM 0 HA TYR A 100 61.721 0.874 -63.587 1.00 0.00 H new ATOM 0 HB2 TYR A 100 62.448 3.745 -62.950 1.00 0.00 H new ATOM 0 HB3 TYR A 100 63.508 2.448 -63.464 1.00 0.00 H new ATOM 0 HD1 TYR A 100 60.909 4.827 -64.602 1.00 0.00 H new ATOM 0 HD2 TYR A 100 63.763 1.905 -65.815 1.00 0.00 H new ATOM 0 HE1 TYR A 100 60.650 5.545 -66.936 1.00 0.00 H new ATOM 0 HE2 TYR A 100 63.510 2.624 -68.148 1.00 0.00 H new ATOM 0 HH TYR A 100 61.141 5.117 -69.067 1.00 0.00 H new ATOM 780 N LEU A 101 62.156 0.687 -61.140 1.00 0.00 N ATOM 781 CA LEU A 101 62.243 0.451 -59.703 1.00 0.00 C ATOM 782 C LEU A 101 63.335 1.312 -59.075 1.00 0.00 C ATOM 783 O LEU A 101 64.438 1.424 -59.612 1.00 0.00 O ATOM 784 CB LEU A 101 62.521 -1.027 -59.425 1.00 0.00 C ATOM 785 CG LEU A 101 62.356 -1.480 -57.974 1.00 0.00 C ATOM 786 CD1 LEU A 101 60.931 -1.950 -57.721 1.00 0.00 C ATOM 787 CD2 LEU A 101 63.349 -2.584 -57.643 1.00 0.00 C ATOM 0 H LEU A 101 62.653 0.003 -61.711 1.00 0.00 H new ATOM 0 HA LEU A 101 61.287 0.725 -59.256 1.00 0.00 H new ATOM 0 HB2 LEU A 101 61.856 -1.625 -60.049 1.00 0.00 H new ATOM 0 HB3 LEU A 101 63.540 -1.250 -59.740 1.00 0.00 H new ATOM 0 HG LEU A 101 62.559 -0.630 -57.323 1.00 0.00 H new ATOM 0 HD11 LEU A 101 60.832 -2.269 -56.683 1.00 0.00 H new ATOM 0 HD12 LEU A 101 60.238 -1.132 -57.917 1.00 0.00 H new ATOM 0 HD13 LEU A 101 60.701 -2.786 -58.381 1.00 0.00 H new ATOM 0 HD21 LEU A 101 63.217 -2.894 -56.606 1.00 0.00 H new ATOM 0 HD22 LEU A 101 63.178 -3.436 -58.301 1.00 0.00 H new ATOM 0 HD23 LEU A 101 64.365 -2.214 -57.784 1.00 0.00 H new ATOM 799 N LEU A 102 63.021 1.918 -57.935 1.00 0.00 N ATOM 800 CA LEU A 102 63.976 2.767 -57.232 1.00 0.00 C ATOM 801 C LEU A 102 64.848 1.943 -56.291 1.00 0.00 C ATOM 802 O LEU A 102 64.381 0.986 -55.673 1.00 0.00 O ATOM 803 CB LEU A 102 63.239 3.853 -56.445 1.00 0.00 C ATOM 804 CG LEU A 102 62.464 4.875 -57.276 1.00 0.00 C ATOM 805 CD1 LEU A 102 61.376 5.529 -56.438 1.00 0.00 C ATOM 806 CD2 LEU A 102 63.406 5.926 -57.843 1.00 0.00 C ATOM 0 H LEU A 102 62.113 1.837 -57.478 1.00 0.00 H new ATOM 0 HA LEU A 102 64.621 3.239 -57.974 1.00 0.00 H new ATOM 0 HB2 LEU A 102 62.543 3.368 -55.760 1.00 0.00 H new ATOM 0 HB3 LEU A 102 63.966 4.388 -55.834 1.00 0.00 H new ATOM 0 HG LEU A 102 61.990 4.354 -58.108 1.00 0.00 H new ATOM 0 HD11 LEU A 102 60.835 6.254 -57.046 1.00 0.00 H new ATOM 0 HD12 LEU A 102 60.684 4.766 -56.081 1.00 0.00 H new ATOM 0 HD13 LEU A 102 61.829 6.036 -55.586 1.00 0.00 H new ATOM 0 HD21 LEU A 102 62.837 6.645 -58.432 1.00 0.00 H new ATOM 0 HD22 LEU A 102 63.909 6.443 -57.026 1.00 0.00 H new ATOM 0 HD23 LEU A 102 64.149 5.444 -58.479 1.00 0.00 H new ATOM 818 N LYS A 103 66.117 2.322 -56.184 1.00 0.00 N ATOM 819 CA LYS A 103 67.055 1.622 -55.316 1.00 0.00 C ATOM 820 C LYS A 103 67.515 2.522 -54.173 1.00 0.00 C ATOM 821 O LYS A 103 67.634 3.736 -54.337 1.00 0.00 O ATOM 822 CB LYS A 103 68.265 1.141 -56.120 1.00 0.00 C ATOM 823 CG LYS A 103 69.386 0.585 -55.258 1.00 0.00 C ATOM 824 CD LYS A 103 70.321 -0.301 -56.064 1.00 0.00 C ATOM 825 CE LYS A 103 71.182 -1.170 -55.160 1.00 0.00 C ATOM 826 NZ LYS A 103 72.190 -1.947 -55.934 1.00 0.00 N ATOM 0 H LYS A 103 66.520 3.112 -56.689 1.00 0.00 H new ATOM 0 HA LYS A 103 66.543 0.759 -54.891 1.00 0.00 H new ATOM 0 HB2 LYS A 103 67.942 0.372 -56.822 1.00 0.00 H new ATOM 0 HB3 LYS A 103 68.651 1.971 -56.712 1.00 0.00 H new ATOM 0 HG2 LYS A 103 69.951 1.407 -54.819 1.00 0.00 H new ATOM 0 HG3 LYS A 103 68.962 0.013 -54.433 1.00 0.00 H new ATOM 0 HD2 LYS A 103 69.738 -0.935 -56.732 1.00 0.00 H new ATOM 0 HD3 LYS A 103 70.961 0.319 -56.691 1.00 0.00 H new ATOM 0 HE2 LYS A 103 71.691 -0.541 -54.429 1.00 0.00 H new ATOM 0 HE3 LYS A 103 70.545 -1.856 -54.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 72.757 -2.526 -55.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 71.704 -2.566 -56.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 72.814 -1.292 -56.447 1.00 0.00 H new ATOM 840 N TRP A 104 67.773 1.918 -53.018 1.00 0.00 N ATOM 841 CA TRP A 104 68.221 2.666 -51.849 1.00 0.00 C ATOM 842 C TRP A 104 69.743 2.664 -51.752 1.00 0.00 C ATOM 843 O TRP A 104 70.379 1.618 -51.872 1.00 0.00 O ATOM 844 CB TRP A 104 67.616 2.073 -50.576 1.00 0.00 C ATOM 845 CG TRP A 104 66.118 2.044 -50.588 1.00 0.00 C ATOM 846 CD1 TRP A 104 65.319 0.938 -50.529 1.00 0.00 C ATOM 847 CD2 TRP A 104 65.239 3.172 -50.667 1.00 0.00 C ATOM 848 NE1 TRP A 104 63.997 1.310 -50.566 1.00 0.00 N ATOM 849 CE2 TRP A 104 63.921 2.675 -50.649 1.00 0.00 C ATOM 850 CE3 TRP A 104 65.437 4.553 -50.747 1.00 0.00 C ATOM 851 CZ2 TRP A 104 62.810 3.512 -50.711 1.00 0.00 C ATOM 852 CZ3 TRP A 104 64.334 5.382 -50.809 1.00 0.00 C ATOM 853 CH2 TRP A 104 63.033 4.860 -50.790 1.00 0.00 C ATOM 0 H TRP A 104 67.680 0.914 -52.866 1.00 0.00 H new ATOM 0 HA TRP A 104 67.884 3.697 -51.957 1.00 0.00 H new ATOM 0 HB2 TRP A 104 67.991 1.058 -50.443 1.00 0.00 H new ATOM 0 HB3 TRP A 104 67.954 2.653 -49.717 1.00 0.00 H new ATOM 0 HD1 TRP A 104 65.674 -0.080 -50.463 1.00 0.00 H new ATOM 0 HE1 TRP A 104 63.201 0.673 -50.536 1.00 0.00 H new ATOM 0 HE3 TRP A 104 66.435 4.965 -50.760 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 61.807 3.111 -50.697 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 64.476 6.451 -50.873 1.00 0.00 H new ATOM 0 HH2 TRP A 104 62.191 5.534 -50.839 1.00 0.00 H new ATOM 864 N GLU A 105 70.320 3.842 -51.535 1.00 0.00 N ATOM 865 CA GLU A 105 71.768 3.974 -51.423 1.00 0.00 C ATOM 866 C GLU A 105 72.282 3.272 -50.169 1.00 0.00 C ATOM 867 O GLU A 105 71.911 3.625 -49.051 1.00 0.00 O ATOM 868 CB GLU A 105 72.167 5.450 -51.395 1.00 0.00 C ATOM 869 CG GLU A 105 73.632 5.679 -51.062 1.00 0.00 C ATOM 870 CD GLU A 105 74.000 7.149 -51.028 1.00 0.00 C ATOM 871 OE1 GLU A 105 73.078 7.990 -50.994 1.00 0.00 O ATOM 872 OE2 GLU A 105 75.210 7.458 -51.037 1.00 0.00 O ATOM 0 H GLU A 105 69.807 4.718 -51.433 1.00 0.00 H new ATOM 0 HA GLU A 105 72.219 3.500 -52.295 1.00 0.00 H new ATOM 0 HB2 GLU A 105 71.950 5.895 -52.366 1.00 0.00 H new ATOM 0 HB3 GLU A 105 71.551 5.970 -50.662 1.00 0.00 H new ATOM 0 HG2 GLU A 105 73.855 5.230 -50.094 1.00 0.00 H new ATOM 0 HG3 GLU A 105 74.252 5.170 -51.800 1.00 0.00 H new ATOM 879 N GLY A 106 73.140 2.276 -50.365 1.00 0.00 N ATOM 880 CA GLY A 106 73.692 1.539 -49.243 1.00 0.00 C ATOM 881 C GLY A 106 72.878 0.307 -48.901 1.00 0.00 C ATOM 882 O GLY A 106 73.423 -0.700 -48.449 1.00 0.00 O ATOM 0 H GLY A 106 73.463 1.966 -51.281 1.00 0.00 H new ATOM 0 HA2 GLY A 106 74.715 1.242 -49.475 1.00 0.00 H new ATOM 0 HA3 GLY A 106 73.740 2.192 -48.372 1.00 0.00 H new ATOM 886 N TYR A 107 71.569 0.387 -49.115 1.00 0.00 N ATOM 887 CA TYR A 107 70.677 -0.729 -48.823 1.00 0.00 C ATOM 888 C TYR A 107 70.275 -1.454 -50.103 1.00 0.00 C ATOM 889 O TYR A 107 69.757 -0.844 -51.039 1.00 0.00 O ATOM 890 CB TYR A 107 69.429 -0.234 -48.090 1.00 0.00 C ATOM 891 CG TYR A 107 69.736 0.641 -46.896 1.00 0.00 C ATOM 892 CD1 TYR A 107 70.473 0.154 -45.824 1.00 0.00 C ATOM 893 CD2 TYR A 107 69.288 1.955 -46.839 1.00 0.00 C ATOM 894 CE1 TYR A 107 70.755 0.949 -44.730 1.00 0.00 C ATOM 895 CE2 TYR A 107 69.566 2.758 -45.750 1.00 0.00 C ATOM 896 CZ TYR A 107 70.299 2.251 -44.698 1.00 0.00 C ATOM 897 OH TYR A 107 70.578 3.047 -43.610 1.00 0.00 O ATOM 0 H TYR A 107 71.102 1.213 -49.490 1.00 0.00 H new ATOM 0 HA TYR A 107 71.212 -1.430 -48.182 1.00 0.00 H new ATOM 0 HB2 TYR A 107 68.805 0.324 -48.788 1.00 0.00 H new ATOM 0 HB3 TYR A 107 68.847 -1.094 -47.760 1.00 0.00 H new ATOM 0 HD1 TYR A 107 70.832 -0.864 -45.846 1.00 0.00 H new ATOM 0 HD2 TYR A 107 68.712 2.355 -47.660 1.00 0.00 H new ATOM 0 HE1 TYR A 107 71.329 0.554 -43.905 1.00 0.00 H new ATOM 0 HE2 TYR A 107 69.211 3.778 -45.723 1.00 0.00 H new ATOM 0 HH TYR A 107 70.186 3.935 -43.745 1.00 0.00 H new ATOM 907 N ASP A 108 70.516 -2.760 -50.136 1.00 0.00 N ATOM 908 CA ASP A 108 70.177 -3.571 -51.300 1.00 0.00 C ATOM 909 C ASP A 108 68.872 -4.327 -51.074 1.00 0.00 C ATOM 910 O ASP A 108 68.857 -5.386 -50.446 1.00 0.00 O ATOM 911 CB ASP A 108 71.306 -4.557 -51.607 1.00 0.00 C ATOM 912 CG ASP A 108 71.038 -5.373 -52.856 1.00 0.00 C ATOM 913 OD1 ASP A 108 70.202 -4.943 -53.677 1.00 0.00 O ATOM 914 OD2 ASP A 108 71.664 -6.443 -53.012 1.00 0.00 O ATOM 0 H ASP A 108 70.945 -3.280 -49.370 1.00 0.00 H new ATOM 0 HA ASP A 108 70.046 -2.904 -52.152 1.00 0.00 H new ATOM 0 HB2 ASP A 108 72.240 -4.009 -51.728 1.00 0.00 H new ATOM 0 HB3 ASP A 108 71.438 -5.229 -50.759 1.00 0.00 H new ATOM 919 N ASP A 109 67.778 -3.776 -51.589 1.00 0.00 N ATOM 920 CA ASP A 109 66.468 -4.399 -51.444 1.00 0.00 C ATOM 921 C ASP A 109 66.213 -5.398 -52.568 1.00 0.00 C ATOM 922 O ASP A 109 66.825 -5.339 -53.635 1.00 0.00 O ATOM 923 CB ASP A 109 65.371 -3.332 -51.435 1.00 0.00 C ATOM 924 CG ASP A 109 65.063 -2.831 -50.038 1.00 0.00 C ATOM 925 OD1 ASP A 109 65.999 -2.366 -49.355 1.00 0.00 O ATOM 926 OD2 ASP A 109 63.886 -2.904 -49.627 1.00 0.00 O ATOM 0 H ASP A 109 67.773 -2.899 -52.110 1.00 0.00 H new ATOM 0 HA ASP A 109 66.451 -4.935 -50.495 1.00 0.00 H new ATOM 0 HB2 ASP A 109 65.679 -2.493 -52.059 1.00 0.00 H new ATOM 0 HB3 ASP A 109 64.464 -3.743 -51.879 1.00 0.00 H new ATOM 931 N PRO A 110 65.288 -6.339 -52.326 1.00 0.00 N ATOM 932 CA PRO A 110 64.932 -7.369 -53.306 1.00 0.00 C ATOM 933 C PRO A 110 64.177 -6.797 -54.501 1.00 0.00 C ATOM 934 O PRO A 110 64.098 -5.580 -54.672 1.00 0.00 O ATOM 935 CB PRO A 110 64.032 -8.319 -52.510 1.00 0.00 C ATOM 936 CG PRO A 110 63.458 -7.476 -51.424 1.00 0.00 C ATOM 937 CD PRO A 110 64.519 -6.469 -51.077 1.00 0.00 C ATOM 0 HA PRO A 110 65.813 -7.849 -53.731 1.00 0.00 H new ATOM 0 HB2 PRO A 110 63.249 -8.742 -53.139 1.00 0.00 H new ATOM 0 HB3 PRO A 110 64.601 -9.155 -52.103 1.00 0.00 H new ATOM 0 HG2 PRO A 110 62.544 -6.982 -51.755 1.00 0.00 H new ATOM 0 HG3 PRO A 110 63.196 -8.082 -50.557 1.00 0.00 H new ATOM 0 HD2 PRO A 110 64.085 -5.517 -50.772 1.00 0.00 H new ATOM 0 HD3 PRO A 110 65.145 -6.813 -50.254 1.00 0.00 H new ATOM 945 N SER A 111 63.624 -7.681 -55.324 1.00 0.00 N ATOM 946 CA SER A 111 62.878 -7.263 -56.506 1.00 0.00 C ATOM 947 C SER A 111 61.520 -6.688 -56.116 1.00 0.00 C ATOM 948 O SER A 111 60.797 -6.151 -56.955 1.00 0.00 O ATOM 949 CB SER A 111 62.689 -8.444 -57.460 1.00 0.00 C ATOM 950 OG SER A 111 62.676 -9.673 -56.754 1.00 0.00 O ATOM 0 H SER A 111 63.678 -8.691 -55.195 1.00 0.00 H new ATOM 0 HA SER A 111 63.451 -6.485 -57.011 1.00 0.00 H new ATOM 0 HB2 SER A 111 61.755 -8.326 -58.009 1.00 0.00 H new ATOM 0 HB3 SER A 111 63.492 -8.453 -58.197 1.00 0.00 H new ATOM 0 HG SER A 111 62.552 -10.412 -57.386 1.00 0.00 H new ATOM 956 N ASP A 112 61.181 -6.803 -54.836 1.00 0.00 N ATOM 957 CA ASP A 112 59.911 -6.294 -54.333 1.00 0.00 C ATOM 958 C ASP A 112 60.061 -4.863 -53.828 1.00 0.00 C ATOM 959 O ASP A 112 59.196 -4.350 -53.119 1.00 0.00 O ATOM 960 CB ASP A 112 59.386 -7.191 -53.211 1.00 0.00 C ATOM 961 CG ASP A 112 59.217 -8.632 -53.652 1.00 0.00 C ATOM 962 OD1 ASP A 112 60.243 -9.307 -53.877 1.00 0.00 O ATOM 963 OD2 ASP A 112 58.059 -9.083 -53.775 1.00 0.00 O ATOM 0 H ASP A 112 61.768 -7.244 -54.128 1.00 0.00 H new ATOM 0 HA ASP A 112 59.195 -6.297 -55.155 1.00 0.00 H new ATOM 0 HB2 ASP A 112 60.074 -7.151 -52.366 1.00 0.00 H new ATOM 0 HB3 ASP A 112 58.428 -6.807 -52.861 1.00 0.00 H new ATOM 968 N ASN A 113 61.166 -4.223 -54.198 1.00 0.00 N ATOM 969 CA ASN A 113 61.430 -2.850 -53.782 1.00 0.00 C ATOM 970 C ASN A 113 60.315 -1.917 -54.244 1.00 0.00 C ATOM 971 O ASN A 113 59.300 -2.362 -54.781 1.00 0.00 O ATOM 972 CB ASN A 113 62.772 -2.375 -54.341 1.00 0.00 C ATOM 973 CG ASN A 113 63.504 -1.454 -53.384 1.00 0.00 C ATOM 974 OD1 ASN A 113 62.989 -1.111 -52.319 1.00 0.00 O ATOM 975 ND2 ASN A 113 64.712 -1.050 -53.759 1.00 0.00 N ATOM 0 H ASN A 113 61.893 -4.633 -54.785 1.00 0.00 H new ATOM 0 HA ASN A 113 61.469 -2.828 -52.693 1.00 0.00 H new ATOM 0 HB2 ASN A 113 63.398 -3.240 -54.559 1.00 0.00 H new ATOM 0 HB3 ASN A 113 62.606 -1.856 -55.285 1.00 0.00 H new ATOM 0 HD21 ASN A 113 65.253 -0.430 -53.156 1.00 0.00 H new ATOM 0 HD22 ASN A 113 65.099 -1.359 -54.650 1.00 0.00 H new ATOM 982 N THR A 114 60.511 -0.619 -54.032 1.00 0.00 N ATOM 983 CA THR A 114 59.522 0.377 -54.425 1.00 0.00 C ATOM 984 C THR A 114 59.626 0.697 -55.912 1.00 0.00 C ATOM 985 O THR A 114 60.720 0.906 -56.437 1.00 0.00 O ATOM 986 CB THR A 114 59.686 1.679 -53.619 1.00 0.00 C ATOM 987 OG1 THR A 114 58.605 2.573 -53.908 1.00 0.00 O ATOM 988 CG2 THR A 114 61.010 2.354 -53.943 1.00 0.00 C ATOM 0 H THR A 114 61.346 -0.233 -53.590 1.00 0.00 H new ATOM 0 HA THR A 114 58.541 -0.051 -54.215 1.00 0.00 H new ATOM 0 HB THR A 114 59.676 1.427 -52.558 1.00 0.00 H new ATOM 0 HG1 THR A 114 58.715 3.398 -53.390 1.00 0.00 H new ATOM 0 HG21 THR A 114 61.103 3.271 -53.362 1.00 0.00 H new ATOM 0 HG22 THR A 114 61.831 1.682 -53.694 1.00 0.00 H new ATOM 0 HG23 THR A 114 61.046 2.593 -55.006 1.00 0.00 H new ATOM 996 N TRP A 115 58.482 0.735 -56.585 1.00 0.00 N ATOM 997 CA TRP A 115 58.445 1.031 -58.013 1.00 0.00 C ATOM 998 C TRP A 115 58.123 2.501 -58.256 1.00 0.00 C ATOM 999 O TRP A 115 57.462 3.144 -57.441 1.00 0.00 O ATOM 1000 CB TRP A 115 57.411 0.146 -58.712 1.00 0.00 C ATOM 1001 CG TRP A 115 57.722 -1.317 -58.620 1.00 0.00 C ATOM 1002 CD1 TRP A 115 57.752 -2.079 -57.488 1.00 0.00 C ATOM 1003 CD2 TRP A 115 58.049 -2.192 -59.705 1.00 0.00 C ATOM 1004 NE1 TRP A 115 58.078 -3.377 -57.803 1.00 0.00 N ATOM 1005 CE2 TRP A 115 58.265 -3.472 -59.157 1.00 0.00 C ATOM 1006 CE3 TRP A 115 58.179 -2.021 -61.086 1.00 0.00 C ATOM 1007 CZ2 TRP A 115 58.603 -4.571 -59.942 1.00 0.00 C ATOM 1008 CZ3 TRP A 115 58.516 -3.112 -61.864 1.00 0.00 C ATOM 1009 CH2 TRP A 115 58.724 -4.374 -61.291 1.00 0.00 C ATOM 0 H TRP A 115 57.568 0.565 -56.166 1.00 0.00 H new ATOM 0 HA TRP A 115 59.431 0.822 -58.428 1.00 0.00 H new ATOM 0 HB2 TRP A 115 56.430 0.330 -58.273 1.00 0.00 H new ATOM 0 HB3 TRP A 115 57.349 0.432 -59.762 1.00 0.00 H new ATOM 0 HD1 TRP A 115 57.549 -1.716 -56.491 1.00 0.00 H new ATOM 0 HE1 TRP A 115 58.166 -4.144 -57.137 1.00 0.00 H new ATOM 0 HE3 TRP A 115 58.019 -1.053 -61.537 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 58.764 -5.544 -59.502 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 58.621 -2.990 -62.932 1.00 0.00 H new ATOM 0 HH2 TRP A 115 58.985 -5.207 -61.926 1.00 0.00 H new ATOM 1020 N SER A 116 58.593 3.027 -59.383 1.00 0.00 N ATOM 1021 CA SER A 116 58.357 4.423 -59.731 1.00 0.00 C ATOM 1022 C SER A 116 57.874 4.550 -61.173 1.00 0.00 C ATOM 1023 O SER A 116 58.496 4.023 -62.095 1.00 0.00 O ATOM 1024 CB SER A 116 59.634 5.243 -59.535 1.00 0.00 C ATOM 1025 OG SER A 116 60.511 5.092 -60.639 1.00 0.00 O ATOM 0 H SER A 116 59.139 2.507 -60.070 1.00 0.00 H new ATOM 0 HA SER A 116 57.581 4.809 -59.071 1.00 0.00 H new ATOM 0 HB2 SER A 116 59.379 6.295 -59.410 1.00 0.00 H new ATOM 0 HB3 SER A 116 60.137 4.927 -58.621 1.00 0.00 H new ATOM 0 HG SER A 116 60.393 4.202 -61.031 1.00 0.00 H new ATOM 1031 N SER A 117 56.761 5.252 -61.358 1.00 0.00 N ATOM 1032 CA SER A 117 56.191 5.445 -62.686 1.00 0.00 C ATOM 1033 C SER A 117 57.172 6.176 -63.597 1.00 0.00 C ATOM 1034 O SER A 117 58.287 6.501 -63.191 1.00 0.00 O ATOM 1035 CB SER A 117 54.881 6.230 -62.593 1.00 0.00 C ATOM 1036 OG SER A 117 54.039 5.949 -63.697 1.00 0.00 O ATOM 0 H SER A 117 56.236 5.697 -60.605 1.00 0.00 H new ATOM 0 HA SER A 117 55.988 4.463 -63.113 1.00 0.00 H new ATOM 0 HB2 SER A 117 54.367 5.977 -61.666 1.00 0.00 H new ATOM 0 HB3 SER A 117 55.095 7.298 -62.558 1.00 0.00 H new ATOM 0 HG SER A 117 53.208 6.461 -63.613 1.00 0.00 H new ATOM 1042 N GLU A 118 56.747 6.432 -64.831 1.00 0.00 N ATOM 1043 CA GLU A 118 57.588 7.124 -65.800 1.00 0.00 C ATOM 1044 C GLU A 118 57.691 8.610 -65.467 1.00 0.00 C ATOM 1045 O GLU A 118 58.712 9.246 -65.729 1.00 0.00 O ATOM 1046 CB GLU A 118 57.031 6.944 -67.213 1.00 0.00 C ATOM 1047 CG GLU A 118 57.712 7.818 -68.252 1.00 0.00 C ATOM 1048 CD GLU A 118 59.171 7.456 -68.453 1.00 0.00 C ATOM 1049 OE1 GLU A 118 59.454 6.278 -68.754 1.00 0.00 O ATOM 1050 OE2 GLU A 118 60.029 8.352 -68.310 1.00 0.00 O ATOM 0 H GLU A 118 55.826 6.170 -65.182 1.00 0.00 H new ATOM 0 HA GLU A 118 58.586 6.688 -65.753 1.00 0.00 H new ATOM 0 HB2 GLU A 118 57.135 5.899 -67.505 1.00 0.00 H new ATOM 0 HB3 GLU A 118 55.964 7.168 -67.205 1.00 0.00 H new ATOM 0 HG2 GLU A 118 57.184 7.725 -69.201 1.00 0.00 H new ATOM 0 HG3 GLU A 118 57.639 8.862 -67.947 1.00 0.00 H new ATOM 1057 N ALA A 119 56.626 9.156 -64.890 1.00 0.00 N ATOM 1058 CA ALA A 119 56.597 10.566 -64.520 1.00 0.00 C ATOM 1059 C ALA A 119 57.767 10.919 -63.609 1.00 0.00 C ATOM 1060 O ALA A 119 58.177 12.077 -63.530 1.00 0.00 O ATOM 1061 CB ALA A 119 55.277 10.906 -63.844 1.00 0.00 C ATOM 0 H ALA A 119 55.772 8.644 -64.669 1.00 0.00 H new ATOM 0 HA ALA A 119 56.690 11.158 -65.431 1.00 0.00 H new ATOM 0 HB1 ALA A 119 55.268 11.962 -63.573 1.00 0.00 H new ATOM 0 HB2 ALA A 119 54.454 10.700 -64.529 1.00 0.00 H new ATOM 0 HB3 ALA A 119 55.162 10.300 -62.946 1.00 0.00 H new ATOM 1067 N ASP A 120 58.300 9.914 -62.922 1.00 0.00 N ATOM 1068 CA ASP A 120 59.424 10.119 -62.015 1.00 0.00 C ATOM 1069 C ASP A 120 60.689 10.475 -62.790 1.00 0.00 C ATOM 1070 O ASP A 120 61.634 11.033 -62.232 1.00 0.00 O ATOM 1071 CB ASP A 120 59.663 8.865 -61.174 1.00 0.00 C ATOM 1072 CG ASP A 120 60.355 9.172 -59.860 1.00 0.00 C ATOM 1073 OD1 ASP A 120 61.032 10.218 -59.778 1.00 0.00 O ATOM 1074 OD2 ASP A 120 60.220 8.367 -58.915 1.00 0.00 O ATOM 0 H ASP A 120 57.972 8.950 -62.976 1.00 0.00 H new ATOM 0 HA ASP A 120 59.179 10.950 -61.353 1.00 0.00 H new ATOM 0 HB2 ASP A 120 58.709 8.378 -60.974 1.00 0.00 H new ATOM 0 HB3 ASP A 120 60.268 8.159 -61.743 1.00 0.00 H new ATOM 1079 N CYS A 121 60.699 10.149 -64.078 1.00 0.00 N ATOM 1080 CA CYS A 121 61.849 10.433 -64.929 1.00 0.00 C ATOM 1081 C CYS A 121 62.230 11.908 -64.855 1.00 0.00 C ATOM 1082 O CYS A 121 63.379 12.276 -65.098 1.00 0.00 O ATOM 1083 CB CYS A 121 61.546 10.044 -66.377 1.00 0.00 C ATOM 1084 SG CYS A 121 60.498 11.227 -67.255 1.00 0.00 S ATOM 0 H CYS A 121 59.924 9.688 -64.555 1.00 0.00 H new ATOM 0 HA CYS A 121 62.691 9.841 -64.570 1.00 0.00 H new ATOM 0 HB2 CYS A 121 62.486 9.937 -66.918 1.00 0.00 H new ATOM 0 HB3 CYS A 121 61.060 9.068 -66.386 1.00 0.00 H new ATOM 0 HG CYS A 121 59.248 10.964 -67.012 1.00 0.00 H new ATOM 1090 N SER A 122 61.256 12.749 -64.519 1.00 0.00 N ATOM 1091 CA SER A 122 61.488 14.185 -64.419 1.00 0.00 C ATOM 1092 C SER A 122 62.391 14.508 -63.232 1.00 0.00 C ATOM 1093 O SER A 122 63.167 15.461 -63.270 1.00 0.00 O ATOM 1094 CB SER A 122 60.158 14.929 -64.280 1.00 0.00 C ATOM 1095 OG SER A 122 60.362 16.329 -64.213 1.00 0.00 O ATOM 0 H SER A 122 60.300 12.460 -64.312 1.00 0.00 H new ATOM 0 HA SER A 122 61.986 14.512 -65.332 1.00 0.00 H new ATOM 0 HB2 SER A 122 59.515 14.692 -65.128 1.00 0.00 H new ATOM 0 HB3 SER A 122 59.640 14.590 -63.383 1.00 0.00 H new ATOM 0 HG SER A 122 59.497 16.782 -64.126 1.00 0.00 H new ATOM 1101 N GLY A 123 62.282 13.705 -62.178 1.00 0.00 N ATOM 1102 CA GLY A 123 63.093 13.920 -60.994 1.00 0.00 C ATOM 1103 C GLY A 123 64.264 12.961 -60.911 1.00 0.00 C ATOM 1104 O GLY A 123 65.220 13.201 -60.173 1.00 0.00 O ATOM 0 H GLY A 123 61.646 12.909 -62.123 1.00 0.00 H new ATOM 0 HA2 GLY A 123 63.466 14.944 -60.994 1.00 0.00 H new ATOM 0 HA3 GLY A 123 62.471 13.807 -60.106 1.00 0.00 H new ATOM 1108 N CYS A 124 64.188 11.871 -61.667 1.00 0.00 N ATOM 1109 CA CYS A 124 65.249 10.871 -61.674 1.00 0.00 C ATOM 1110 C CYS A 124 65.883 10.759 -63.056 1.00 0.00 C ATOM 1111 O CYS A 124 66.378 9.700 -63.441 1.00 0.00 O ATOM 1112 CB CYS A 124 64.699 9.511 -61.241 1.00 0.00 C ATOM 1113 SG CYS A 124 64.214 9.431 -59.501 1.00 0.00 S ATOM 0 H CYS A 124 63.403 11.658 -62.282 1.00 0.00 H new ATOM 0 HA CYS A 124 66.016 11.187 -60.967 1.00 0.00 H new ATOM 0 HB2 CYS A 124 63.835 9.267 -61.859 1.00 0.00 H new ATOM 0 HB3 CYS A 124 65.454 8.748 -61.432 1.00 0.00 H new ATOM 0 HG CYS A 124 62.952 9.721 -59.389 1.00 0.00 H new ATOM 1119 N LYS A 125 65.864 11.860 -63.801 1.00 0.00 N ATOM 1120 CA LYS A 125 66.436 11.888 -65.141 1.00 0.00 C ATOM 1121 C LYS A 125 67.852 11.320 -65.141 1.00 0.00 C ATOM 1122 O LYS A 125 68.173 10.431 -65.928 1.00 0.00 O ATOM 1123 CB LYS A 125 66.449 13.319 -65.683 1.00 0.00 C ATOM 1124 CG LYS A 125 65.384 13.581 -66.734 1.00 0.00 C ATOM 1125 CD LYS A 125 65.840 14.622 -67.743 1.00 0.00 C ATOM 1126 CE LYS A 125 64.870 14.731 -68.908 1.00 0.00 C ATOM 1127 NZ LYS A 125 65.301 13.904 -70.069 1.00 0.00 N ATOM 0 H LYS A 125 65.458 12.745 -63.498 1.00 0.00 H new ATOM 0 HA LYS A 125 65.815 11.267 -65.787 1.00 0.00 H new ATOM 0 HB2 LYS A 125 66.309 14.014 -64.855 1.00 0.00 H new ATOM 0 HB3 LYS A 125 67.429 13.527 -66.111 1.00 0.00 H new ATOM 0 HG2 LYS A 125 65.146 12.652 -67.251 1.00 0.00 H new ATOM 0 HG3 LYS A 125 64.468 13.920 -66.249 1.00 0.00 H new ATOM 0 HD2 LYS A 125 65.931 15.591 -67.252 1.00 0.00 H new ATOM 0 HD3 LYS A 125 66.830 14.360 -68.116 1.00 0.00 H new ATOM 0 HE2 LYS A 125 63.878 14.415 -68.585 1.00 0.00 H new ATOM 0 HE3 LYS A 125 64.788 15.773 -69.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 64.613 14.006 -70.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 66.236 14.222 -70.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 65.355 12.906 -69.783 1.00 0.00 H new ATOM 1141 N GLN A 126 68.692 11.839 -64.251 1.00 0.00 N ATOM 1142 CA GLN A 126 70.073 11.383 -64.149 1.00 0.00 C ATOM 1143 C GLN A 126 70.136 9.864 -64.024 1.00 0.00 C ATOM 1144 O GLN A 126 71.073 9.229 -64.511 1.00 0.00 O ATOM 1145 CB GLN A 126 70.760 12.034 -62.948 1.00 0.00 C ATOM 1146 CG GLN A 126 69.953 11.943 -61.662 1.00 0.00 C ATOM 1147 CD GLN A 126 69.114 13.180 -61.411 1.00 0.00 C ATOM 1148 OE1 GLN A 126 69.203 14.165 -62.145 1.00 0.00 O ATOM 1149 NE2 GLN A 126 68.292 13.136 -60.369 1.00 0.00 N ATOM 0 H GLN A 126 68.440 12.575 -63.591 1.00 0.00 H new ATOM 0 HA GLN A 126 70.595 11.677 -65.060 1.00 0.00 H new ATOM 0 HB2 GLN A 126 71.729 11.560 -62.793 1.00 0.00 H new ATOM 0 HB3 GLN A 126 70.951 13.083 -63.174 1.00 0.00 H new ATOM 0 HG2 GLN A 126 69.302 11.070 -61.707 1.00 0.00 H new ATOM 0 HG3 GLN A 126 70.631 11.792 -60.822 1.00 0.00 H new ATOM 0 HE21 GLN A 126 68.250 12.299 -59.787 1.00 0.00 H new ATOM 0 HE22 GLN A 126 67.702 13.939 -60.150 1.00 0.00 H new ATOM 1158 N LEU A 127 69.135 9.287 -63.368 1.00 0.00 N ATOM 1159 CA LEU A 127 69.077 7.842 -63.179 1.00 0.00 C ATOM 1160 C LEU A 127 68.700 7.137 -64.477 1.00 0.00 C ATOM 1161 O LEU A 127 69.331 6.154 -64.868 1.00 0.00 O ATOM 1162 CB LEU A 127 68.068 7.492 -62.083 1.00 0.00 C ATOM 1163 CG LEU A 127 68.184 8.290 -60.784 1.00 0.00 C ATOM 1164 CD1 LEU A 127 67.204 7.765 -59.747 1.00 0.00 C ATOM 1165 CD2 LEU A 127 69.608 8.237 -60.251 1.00 0.00 C ATOM 0 H LEU A 127 68.353 9.798 -62.958 1.00 0.00 H new ATOM 0 HA LEU A 127 70.067 7.500 -62.877 1.00 0.00 H new ATOM 0 HB2 LEU A 127 67.064 7.632 -62.483 1.00 0.00 H new ATOM 0 HB3 LEU A 127 68.172 6.433 -61.846 1.00 0.00 H new ATOM 0 HG LEU A 127 67.936 9.330 -60.995 1.00 0.00 H new ATOM 0 HD11 LEU A 127 67.300 8.345 -58.829 1.00 0.00 H new ATOM 0 HD12 LEU A 127 66.187 7.856 -60.129 1.00 0.00 H new ATOM 0 HD13 LEU A 127 67.421 6.717 -59.539 1.00 0.00 H new ATOM 0 HD21 LEU A 127 69.672 8.810 -59.326 1.00 0.00 H new ATOM 0 HD22 LEU A 127 69.885 7.201 -60.056 1.00 0.00 H new ATOM 0 HD23 LEU A 127 70.289 8.662 -60.989 1.00 0.00 H new ATOM 1177 N ILE A 128 67.669 7.646 -65.143 1.00 0.00 N ATOM 1178 CA ILE A 128 67.210 7.067 -66.400 1.00 0.00 C ATOM 1179 C ILE A 128 68.341 7.006 -67.422 1.00 0.00 C ATOM 1180 O ILE A 128 68.507 6.005 -68.117 1.00 0.00 O ATOM 1181 CB ILE A 128 66.038 7.869 -66.995 1.00 0.00 C ATOM 1182 CG1 ILE A 128 64.921 8.025 -65.961 1.00 0.00 C ATOM 1183 CG2 ILE A 128 65.514 7.188 -68.250 1.00 0.00 C ATOM 1184 CD1 ILE A 128 64.404 6.708 -65.426 1.00 0.00 C ATOM 0 H ILE A 128 67.136 8.458 -64.833 1.00 0.00 H new ATOM 0 HA ILE A 128 66.870 6.056 -66.176 1.00 0.00 H new ATOM 0 HB ILE A 128 66.397 8.862 -67.267 1.00 0.00 H new ATOM 0 HG12 ILE A 128 65.288 8.627 -65.129 1.00 0.00 H new ATOM 0 HG13 ILE A 128 64.094 8.575 -66.411 1.00 0.00 H new ATOM 0 HG21 ILE A 128 64.686 7.767 -68.659 1.00 0.00 H new ATOM 0 HG22 ILE A 128 66.312 7.124 -68.990 1.00 0.00 H new ATOM 0 HG23 ILE A 128 65.168 6.185 -68.002 1.00 0.00 H new ATOM 0 HD11 ILE A 128 63.615 6.896 -64.698 1.00 0.00 H new ATOM 0 HD12 ILE A 128 64.006 6.113 -66.248 1.00 0.00 H new ATOM 0 HD13 ILE A 128 65.218 6.165 -64.946 1.00 0.00 H new ATOM 1196 N GLU A 129 69.115 8.083 -67.505 1.00 0.00 N ATOM 1197 CA GLU A 129 70.231 8.151 -68.441 1.00 0.00 C ATOM 1198 C GLU A 129 71.413 7.326 -67.940 1.00 0.00 C ATOM 1199 O GLU A 129 72.081 6.644 -68.716 1.00 0.00 O ATOM 1200 CB GLU A 129 70.661 9.604 -68.652 1.00 0.00 C ATOM 1201 CG GLU A 129 71.107 10.298 -67.376 1.00 0.00 C ATOM 1202 CD GLU A 129 71.330 11.785 -67.568 1.00 0.00 C ATOM 1203 OE1 GLU A 129 70.383 12.476 -67.999 1.00 0.00 O ATOM 1204 OE2 GLU A 129 72.451 12.259 -67.288 1.00 0.00 O ATOM 0 H GLU A 129 68.990 8.920 -66.936 1.00 0.00 H new ATOM 0 HA GLU A 129 69.899 7.736 -69.393 1.00 0.00 H new ATOM 0 HB2 GLU A 129 71.477 9.631 -69.375 1.00 0.00 H new ATOM 0 HB3 GLU A 129 69.831 10.160 -69.087 1.00 0.00 H new ATOM 0 HG2 GLU A 129 70.356 10.144 -66.602 1.00 0.00 H new ATOM 0 HG3 GLU A 129 72.030 9.839 -67.021 1.00 0.00 H new ATOM 1211 N ALA A 130 71.665 7.396 -66.637 1.00 0.00 N ATOM 1212 CA ALA A 130 72.764 6.655 -66.031 1.00 0.00 C ATOM 1213 C ALA A 130 72.645 5.162 -66.318 1.00 0.00 C ATOM 1214 O ALA A 130 73.630 4.504 -66.654 1.00 0.00 O ATOM 1215 CB ALA A 130 72.805 6.904 -64.530 1.00 0.00 C ATOM 0 H ALA A 130 71.123 7.958 -65.981 1.00 0.00 H new ATOM 0 HA ALA A 130 73.695 7.010 -66.473 1.00 0.00 H new ATOM 0 HB1 ALA A 130 73.631 6.344 -64.091 1.00 0.00 H new ATOM 0 HB2 ALA A 130 72.947 7.968 -64.341 1.00 0.00 H new ATOM 0 HB3 ALA A 130 71.867 6.578 -64.081 1.00 0.00 H new ATOM 1221 N TYR A 131 71.434 4.634 -66.184 1.00 0.00 N ATOM 1222 CA TYR A 131 71.187 3.217 -66.426 1.00 0.00 C ATOM 1223 C TYR A 131 71.479 2.854 -67.879 1.00 0.00 C ATOM 1224 O TYR A 131 72.188 1.887 -68.158 1.00 0.00 O ATOM 1225 CB TYR A 131 69.740 2.864 -66.081 1.00 0.00 C ATOM 1226 CG TYR A 131 69.454 1.379 -66.115 1.00 0.00 C ATOM 1227 CD1 TYR A 131 70.246 0.483 -65.407 1.00 0.00 C ATOM 1228 CD2 TYR A 131 68.393 0.873 -66.855 1.00 0.00 C ATOM 1229 CE1 TYR A 131 69.989 -0.874 -65.436 1.00 0.00 C ATOM 1230 CE2 TYR A 131 68.128 -0.482 -66.889 1.00 0.00 C ATOM 1231 CZ TYR A 131 68.929 -1.352 -66.178 1.00 0.00 C ATOM 1232 OH TYR A 131 68.669 -2.703 -66.210 1.00 0.00 O ATOM 0 H TYR A 131 70.608 5.165 -65.909 1.00 0.00 H new ATOM 0 HA TYR A 131 71.856 2.643 -65.785 1.00 0.00 H new ATOM 0 HB2 TYR A 131 69.508 3.247 -65.087 1.00 0.00 H new ATOM 0 HB3 TYR A 131 69.075 3.370 -66.781 1.00 0.00 H new ATOM 0 HD1 TYR A 131 71.076 0.854 -64.824 1.00 0.00 H new ATOM 0 HD2 TYR A 131 67.764 1.551 -67.413 1.00 0.00 H new ATOM 0 HE1 TYR A 131 70.615 -1.557 -64.881 1.00 0.00 H new ATOM 0 HE2 TYR A 131 67.298 -0.859 -67.469 1.00 0.00 H new ATOM 0 HH TYR A 131 67.888 -2.873 -66.777 1.00 0.00 H new ATOM 1242 N TRP A 132 70.927 3.636 -68.799 1.00 0.00 N ATOM 1243 CA TRP A 132 71.127 3.398 -70.224 1.00 0.00 C ATOM 1244 C TRP A 132 72.603 3.505 -70.591 1.00 0.00 C ATOM 1245 O TRP A 132 73.083 2.801 -71.479 1.00 0.00 O ATOM 1246 CB TRP A 132 70.311 4.396 -71.048 1.00 0.00 C ATOM 1247 CG TRP A 132 68.847 4.079 -71.083 1.00 0.00 C ATOM 1248 CD1 TRP A 132 68.037 3.826 -70.013 1.00 0.00 C ATOM 1249 CD2 TRP A 132 68.019 3.979 -72.248 1.00 0.00 C ATOM 1250 NE1 TRP A 132 66.756 3.575 -70.442 1.00 0.00 N ATOM 1251 CE2 TRP A 132 66.718 3.664 -71.809 1.00 0.00 C ATOM 1252 CE3 TRP A 132 68.250 4.128 -73.618 1.00 0.00 C ATOM 1253 CZ2 TRP A 132 65.656 3.494 -72.692 1.00 0.00 C ATOM 1254 CZ3 TRP A 132 67.194 3.958 -74.493 1.00 0.00 C ATOM 1255 CH2 TRP A 132 65.910 3.645 -74.028 1.00 0.00 C ATOM 0 H TRP A 132 70.338 4.440 -68.584 1.00 0.00 H new ATOM 0 HA TRP A 132 70.787 2.387 -70.450 1.00 0.00 H new ATOM 0 HB2 TRP A 132 70.449 5.396 -70.636 1.00 0.00 H new ATOM 0 HB3 TRP A 132 70.696 4.415 -72.068 1.00 0.00 H new ATOM 0 HD1 TRP A 132 68.356 3.824 -68.981 1.00 0.00 H new ATOM 0 HE1 TRP A 132 65.962 3.358 -69.840 1.00 0.00 H new ATOM 0 HE3 TRP A 132 69.236 4.372 -73.986 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 64.666 3.251 -72.335 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 67.361 4.068 -75.554 1.00 0.00 H new ATOM 0 HH2 TRP A 132 65.105 3.521 -74.738 1.00 0.00 H new ATOM 1266 N ASN A 133 73.318 4.388 -69.902 1.00 0.00 N ATOM 1267 CA ASN A 133 74.740 4.586 -70.157 1.00 0.00 C ATOM 1268 C ASN A 133 75.518 3.292 -69.935 1.00 0.00 C ATOM 1269 O ASN A 133 76.448 2.981 -70.678 1.00 0.00 O ATOM 1270 CB ASN A 133 75.294 5.688 -69.252 1.00 0.00 C ATOM 1271 CG ASN A 133 76.807 5.767 -69.296 1.00 0.00 C ATOM 1272 OD1 ASN A 133 77.410 5.760 -70.369 1.00 0.00 O ATOM 1273 ND2 ASN A 133 77.430 5.842 -68.125 1.00 0.00 N ATOM 0 H ASN A 133 72.936 4.978 -69.163 1.00 0.00 H new ATOM 0 HA ASN A 133 74.858 4.887 -71.198 1.00 0.00 H new ATOM 0 HB2 ASN A 133 74.874 6.647 -69.554 1.00 0.00 H new ATOM 0 HB3 ASN A 133 74.972 5.508 -68.226 1.00 0.00 H new ATOM 0 HD21 ASN A 133 78.448 5.897 -68.091 1.00 0.00 H new ATOM 0 HD22 ASN A 133 76.890 5.845 -67.259 1.00 0.00 H new ATOM 1280 N GLU A 134 75.129 2.543 -68.908 1.00 0.00 N ATOM 1281 CA GLU A 134 75.790 1.283 -68.590 1.00 0.00 C ATOM 1282 C GLU A 134 75.634 0.283 -69.731 1.00 0.00 C ATOM 1283 O GLU A 134 76.480 -0.590 -69.927 1.00 0.00 O ATOM 1284 CB GLU A 134 75.217 0.693 -67.299 1.00 0.00 C ATOM 1285 CG GLU A 134 76.253 0.507 -66.203 1.00 0.00 C ATOM 1286 CD GLU A 134 77.092 1.749 -65.976 1.00 0.00 C ATOM 1287 OE1 GLU A 134 76.516 2.798 -65.622 1.00 0.00 O ATOM 1288 OE2 GLU A 134 78.326 1.671 -66.152 1.00 0.00 O ATOM 0 H GLU A 134 74.361 2.787 -68.283 1.00 0.00 H new ATOM 0 HA GLU A 134 76.852 1.485 -68.450 1.00 0.00 H new ATOM 0 HB2 GLU A 134 74.425 1.345 -66.932 1.00 0.00 H new ATOM 0 HB3 GLU A 134 74.759 -0.271 -67.522 1.00 0.00 H new ATOM 0 HG2 GLU A 134 75.750 0.239 -65.274 1.00 0.00 H new ATOM 0 HG3 GLU A 134 76.906 -0.326 -66.464 1.00 0.00 H new ATOM 1295 N HIS A 135 74.545 0.416 -70.483 1.00 0.00 N ATOM 1296 CA HIS A 135 74.278 -0.476 -71.605 1.00 0.00 C ATOM 1297 C HIS A 135 75.044 -0.031 -72.847 1.00 0.00 C ATOM 1298 O HIS A 135 75.385 -0.846 -73.704 1.00 0.00 O ATOM 1299 CB HIS A 135 72.779 -0.518 -71.905 1.00 0.00 C ATOM 1300 CG HIS A 135 72.322 -1.816 -72.496 1.00 0.00 C ATOM 1301 ND1 HIS A 135 72.722 -3.044 -72.014 1.00 0.00 N ATOM 1302 CD2 HIS A 135 71.493 -2.072 -73.535 1.00 0.00 C ATOM 1303 CE1 HIS A 135 72.160 -4.000 -72.732 1.00 0.00 C ATOM 1304 NE2 HIS A 135 71.409 -3.437 -73.661 1.00 0.00 N ATOM 0 H HIS A 135 73.834 1.133 -70.335 1.00 0.00 H new ATOM 0 HA HIS A 135 74.615 -1.476 -71.330 1.00 0.00 H new ATOM 0 HB2 HIS A 135 72.227 -0.334 -70.983 1.00 0.00 H new ATOM 0 HB3 HIS A 135 72.532 0.291 -72.592 1.00 0.00 H new ATOM 0 HD2 HIS A 135 70.991 -1.340 -74.150 1.00 0.00 H new ATOM 0 HE1 HIS A 135 72.292 -5.062 -72.584 1.00 0.00 H new ATOM 0 HE2 HIS A 135 70.856 -3.935 -74.359 1.00 0.00 H new ATOM 1312 N GLY A 136 75.311 1.268 -72.938 1.00 0.00 N ATOM 1313 CA GLY A 136 76.035 1.799 -74.079 1.00 0.00 C ATOM 1314 C GLY A 136 75.116 2.432 -75.105 1.00 0.00 C ATOM 1315 O GLY A 136 75.418 2.441 -76.297 1.00 0.00 O ATOM 0 H GLY A 136 75.039 1.962 -72.242 1.00 0.00 H new ATOM 0 HA2 GLY A 136 76.756 2.541 -73.735 1.00 0.00 H new ATOM 0 HA3 GLY A 136 76.603 0.997 -74.550 1.00 0.00 H new