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 88 LYS NZ :NH3+ -121:sc= 0.052 (180deg=-0.851) USER MOD Set 1.2: A 111 SER OG : rot 171:sc= -0.152 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 HIS : no HE2:sc= -1.29 K(o=-1.3,f=-2.8) USER MOD Single : A 91 MET CE :methyl 180:sc= -0.0276 (180deg=-0.0276) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 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 113 ASN : amide:sc= -3.8 K(o=-3.8,f=-5.3!) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot -68:sc= 0.133 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 121 CYS SG : rot -117:sc= 0.796 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 124 CYS SG : rot 150:sc= -0.15 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 GLN : amide:sc= -1.96 K(o=-2,f=-3!) USER MOD Single : A 131 TYR OH : rot 180:sc= 0 USER MOD Single : A 133 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 135 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 462 N VAL A 82 66.626 8.803 -49.937 1.00 0.00 N ATOM 463 CA VAL A 82 66.719 9.429 -51.251 1.00 0.00 C ATOM 464 C VAL A 82 67.000 8.394 -52.334 1.00 0.00 C ATOM 465 O VAL A 82 67.641 7.374 -52.082 1.00 0.00 O ATOM 466 CB VAL A 82 67.822 10.504 -51.284 1.00 0.00 C ATOM 467 CG1 VAL A 82 69.194 9.865 -51.137 1.00 0.00 C ATOM 468 CG2 VAL A 82 67.737 11.314 -52.569 1.00 0.00 C ATOM 0 HA VAL A 82 65.756 9.901 -51.445 1.00 0.00 H new ATOM 0 HB VAL A 82 67.671 11.181 -50.444 1.00 0.00 H new ATOM 0 HG11 VAL A 82 69.961 10.639 -51.163 1.00 0.00 H new ATOM 0 HG12 VAL A 82 69.248 9.333 -50.187 1.00 0.00 H new ATOM 0 HG13 VAL A 82 69.359 9.164 -51.956 1.00 0.00 H new ATOM 0 HG21 VAL A 82 68.523 12.069 -52.576 1.00 0.00 H new ATOM 0 HG22 VAL A 82 67.862 10.652 -53.426 1.00 0.00 H new ATOM 0 HG23 VAL A 82 66.764 11.803 -52.627 1.00 0.00 H new ATOM 478 N VAL A 83 66.516 8.664 -53.543 1.00 0.00 N ATOM 479 CA VAL A 83 66.717 7.756 -54.666 1.00 0.00 C ATOM 480 C VAL A 83 68.180 7.724 -55.092 1.00 0.00 C ATOM 481 O VAL A 83 68.725 8.727 -55.552 1.00 0.00 O ATOM 482 CB VAL A 83 65.851 8.159 -55.875 1.00 0.00 C ATOM 483 CG1 VAL A 83 65.860 7.062 -56.928 1.00 0.00 C ATOM 484 CG2 VAL A 83 64.430 8.472 -55.430 1.00 0.00 C ATOM 0 H VAL A 83 65.983 9.503 -53.769 1.00 0.00 H new ATOM 0 HA VAL A 83 66.418 6.764 -54.328 1.00 0.00 H new ATOM 0 HB VAL A 83 66.275 9.059 -56.320 1.00 0.00 H new ATOM 0 HG11 VAL A 83 65.243 7.365 -57.774 1.00 0.00 H new ATOM 0 HG12 VAL A 83 66.882 6.891 -57.267 1.00 0.00 H new ATOM 0 HG13 VAL A 83 65.462 6.143 -56.499 1.00 0.00 H new ATOM 0 HG21 VAL A 83 63.832 8.755 -56.296 1.00 0.00 H new ATOM 0 HG22 VAL A 83 63.994 7.591 -54.960 1.00 0.00 H new ATOM 0 HG23 VAL A 83 64.445 9.295 -54.715 1.00 0.00 H new ATOM 494 N GLU A 84 68.811 6.564 -54.936 1.00 0.00 N ATOM 495 CA GLU A 84 70.212 6.402 -55.305 1.00 0.00 C ATOM 496 C GLU A 84 70.355 6.145 -56.802 1.00 0.00 C ATOM 497 O GLU A 84 71.079 6.857 -57.500 1.00 0.00 O ATOM 498 CB GLU A 84 70.840 5.250 -54.517 1.00 0.00 C ATOM 499 CG GLU A 84 72.359 5.281 -54.499 1.00 0.00 C ATOM 500 CD GLU A 84 72.967 3.914 -54.252 1.00 0.00 C ATOM 501 OE1 GLU A 84 72.207 2.924 -54.212 1.00 0.00 O ATOM 502 OE2 GLU A 84 74.204 3.835 -54.098 1.00 0.00 O ATOM 0 H GLU A 84 68.374 5.724 -54.557 1.00 0.00 H new ATOM 0 HA GLU A 84 70.734 7.327 -55.061 1.00 0.00 H new ATOM 0 HB2 GLU A 84 70.472 5.280 -53.491 1.00 0.00 H new ATOM 0 HB3 GLU A 84 70.509 4.304 -54.947 1.00 0.00 H new ATOM 0 HG2 GLU A 84 72.722 5.670 -55.450 1.00 0.00 H new ATOM 0 HG3 GLU A 84 72.696 5.970 -53.724 1.00 0.00 H new ATOM 509 N LYS A 85 69.660 5.124 -57.290 1.00 0.00 N ATOM 510 CA LYS A 85 69.707 4.772 -58.704 1.00 0.00 C ATOM 511 C LYS A 85 68.606 3.775 -59.054 1.00 0.00 C ATOM 512 O LYS A 85 67.886 3.298 -58.177 1.00 0.00 O ATOM 513 CB LYS A 85 71.074 4.183 -59.059 1.00 0.00 C ATOM 514 CG LYS A 85 71.384 2.885 -58.334 1.00 0.00 C ATOM 515 CD LYS A 85 72.880 2.697 -58.141 1.00 0.00 C ATOM 516 CE LYS A 85 73.563 2.292 -59.439 1.00 0.00 C ATOM 517 NZ LYS A 85 74.820 1.534 -59.190 1.00 0.00 N ATOM 0 H LYS A 85 69.057 4.525 -56.727 1.00 0.00 H new ATOM 0 HA LYS A 85 69.548 5.681 -59.284 1.00 0.00 H new ATOM 0 HB2 LYS A 85 71.117 4.008 -60.134 1.00 0.00 H new ATOM 0 HB3 LYS A 85 71.847 4.914 -58.824 1.00 0.00 H new ATOM 0 HG2 LYS A 85 70.888 2.882 -57.363 1.00 0.00 H new ATOM 0 HG3 LYS A 85 70.981 2.046 -58.901 1.00 0.00 H new ATOM 0 HD2 LYS A 85 73.319 3.623 -57.771 1.00 0.00 H new ATOM 0 HD3 LYS A 85 73.057 1.935 -57.382 1.00 0.00 H new ATOM 0 HE2 LYS A 85 72.882 1.682 -60.033 1.00 0.00 H new ATOM 0 HE3 LYS A 85 73.786 3.183 -60.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 75.256 1.276 -60.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 75.480 2.125 -58.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 74.604 0.670 -58.652 1.00 0.00 H new ATOM 531 N VAL A 86 68.483 3.464 -60.340 1.00 0.00 N ATOM 532 CA VAL A 86 67.472 2.522 -60.805 1.00 0.00 C ATOM 533 C VAL A 86 67.872 1.085 -60.489 1.00 0.00 C ATOM 534 O VAL A 86 69.034 0.705 -60.641 1.00 0.00 O ATOM 535 CB VAL A 86 67.235 2.656 -62.321 1.00 0.00 C ATOM 536 CG1 VAL A 86 66.194 1.650 -62.790 1.00 0.00 C ATOM 537 CG2 VAL A 86 66.813 4.075 -62.671 1.00 0.00 C ATOM 0 H VAL A 86 69.071 3.851 -61.079 1.00 0.00 H new ATOM 0 HA VAL A 86 66.549 2.763 -60.278 1.00 0.00 H new ATOM 0 HB VAL A 86 68.171 2.442 -62.838 1.00 0.00 H new ATOM 0 HG11 VAL A 86 66.040 1.760 -63.863 1.00 0.00 H new ATOM 0 HG12 VAL A 86 66.542 0.640 -62.575 1.00 0.00 H new ATOM 0 HG13 VAL A 86 65.254 1.829 -62.268 1.00 0.00 H new ATOM 0 HG21 VAL A 86 66.650 4.151 -63.746 1.00 0.00 H new ATOM 0 HG22 VAL A 86 65.890 4.320 -62.146 1.00 0.00 H new ATOM 0 HG23 VAL A 86 67.596 4.772 -62.372 1.00 0.00 H new ATOM 547 N LEU A 87 66.903 0.290 -60.049 1.00 0.00 N ATOM 548 CA LEU A 87 67.153 -1.107 -59.712 1.00 0.00 C ATOM 549 C LEU A 87 66.849 -2.016 -60.897 1.00 0.00 C ATOM 550 O LEU A 87 67.549 -3.001 -61.134 1.00 0.00 O ATOM 551 CB LEU A 87 66.307 -1.520 -58.506 1.00 0.00 C ATOM 552 CG LEU A 87 66.922 -2.573 -57.584 1.00 0.00 C ATOM 553 CD1 LEU A 87 67.275 -3.828 -58.366 1.00 0.00 C ATOM 554 CD2 LEU A 87 68.153 -2.015 -56.884 1.00 0.00 C ATOM 0 H LEU A 87 65.937 0.589 -59.917 1.00 0.00 H new ATOM 0 HA LEU A 87 68.208 -1.211 -59.460 1.00 0.00 H new ATOM 0 HB2 LEU A 87 66.093 -0.629 -57.915 1.00 0.00 H new ATOM 0 HB3 LEU A 87 65.352 -1.898 -58.870 1.00 0.00 H new ATOM 0 HG LEU A 87 66.185 -2.838 -56.826 1.00 0.00 H new ATOM 0 HD11 LEU A 87 67.711 -4.566 -57.693 1.00 0.00 H new ATOM 0 HD12 LEU A 87 66.373 -4.240 -58.820 1.00 0.00 H new ATOM 0 HD13 LEU A 87 67.994 -3.580 -59.147 1.00 0.00 H new ATOM 0 HD21 LEU A 87 68.578 -2.778 -56.232 1.00 0.00 H new ATOM 0 HD22 LEU A 87 68.893 -1.721 -57.628 1.00 0.00 H new ATOM 0 HD23 LEU A 87 67.871 -1.146 -56.290 1.00 0.00 H new ATOM 566 N LYS A 88 65.802 -1.679 -61.642 1.00 0.00 N ATOM 567 CA LYS A 88 65.406 -2.463 -62.806 1.00 0.00 C ATOM 568 C LYS A 88 64.399 -1.698 -63.660 1.00 0.00 C ATOM 569 O LYS A 88 63.777 -0.742 -63.196 1.00 0.00 O ATOM 570 CB LYS A 88 64.805 -3.800 -62.366 1.00 0.00 C ATOM 571 CG LYS A 88 65.757 -4.974 -62.521 1.00 0.00 C ATOM 572 CD LYS A 88 65.005 -6.279 -62.719 1.00 0.00 C ATOM 573 CE LYS A 88 64.123 -6.601 -61.522 1.00 0.00 C ATOM 574 NZ LYS A 88 63.352 -7.859 -61.724 1.00 0.00 N ATOM 0 H LYS A 88 65.212 -0.867 -61.460 1.00 0.00 H new ATOM 0 HA LYS A 88 66.296 -2.652 -63.406 1.00 0.00 H new ATOM 0 HB2 LYS A 88 64.500 -3.726 -61.322 1.00 0.00 H new ATOM 0 HB3 LYS A 88 63.904 -3.994 -62.949 1.00 0.00 H new ATOM 0 HG2 LYS A 88 66.415 -4.800 -63.372 1.00 0.00 H new ATOM 0 HG3 LYS A 88 66.391 -5.049 -61.637 1.00 0.00 H new ATOM 0 HD2 LYS A 88 64.391 -6.214 -63.617 1.00 0.00 H new ATOM 0 HD3 LYS A 88 65.716 -7.090 -62.877 1.00 0.00 H new ATOM 0 HE2 LYS A 88 64.742 -6.694 -60.629 1.00 0.00 H new ATOM 0 HE3 LYS A 88 63.433 -5.776 -61.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 62.334 -7.656 -61.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 63.568 -8.252 -62.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 63.615 -8.549 -60.991 1.00 0.00 H new ATOM 588 N HIS A 89 64.243 -2.126 -64.908 1.00 0.00 N ATOM 589 CA HIS A 89 63.310 -1.482 -65.826 1.00 0.00 C ATOM 590 C HIS A 89 62.214 -2.453 -66.257 1.00 0.00 C ATOM 591 O HIS A 89 62.480 -3.626 -66.521 1.00 0.00 O ATOM 592 CB HIS A 89 64.052 -0.955 -67.055 1.00 0.00 C ATOM 593 CG HIS A 89 63.142 -0.497 -68.153 1.00 0.00 C ATOM 594 ND1 HIS A 89 62.027 0.283 -67.930 1.00 0.00 N ATOM 595 CD2 HIS A 89 63.189 -0.711 -69.488 1.00 0.00 C ATOM 596 CE1 HIS A 89 61.426 0.527 -69.081 1.00 0.00 C ATOM 597 NE2 HIS A 89 62.111 -0.065 -70.042 1.00 0.00 N ATOM 0 H HIS A 89 64.750 -2.916 -65.307 1.00 0.00 H new ATOM 0 HA HIS A 89 62.846 -0.645 -65.305 1.00 0.00 H new ATOM 0 HB2 HIS A 89 64.692 -0.125 -66.755 1.00 0.00 H new ATOM 0 HB3 HIS A 89 64.705 -1.739 -67.439 1.00 0.00 H new ATOM 0 HD1 HIS A 89 61.715 0.619 -67.019 1.00 0.00 H new ATOM 0 HD2 HIS A 89 63.935 -1.283 -70.019 1.00 0.00 H new ATOM 0 HE1 HIS A 89 60.527 1.111 -69.213 1.00 0.00 H new ATOM 605 N ARG A 90 60.983 -1.956 -66.324 1.00 0.00 N ATOM 606 CA ARG A 90 59.848 -2.781 -66.720 1.00 0.00 C ATOM 607 C ARG A 90 58.824 -1.958 -67.498 1.00 0.00 C ATOM 608 O ARG A 90 58.860 -0.728 -67.481 1.00 0.00 O ATOM 609 CB ARG A 90 59.188 -3.403 -65.489 1.00 0.00 C ATOM 610 CG ARG A 90 59.677 -4.808 -65.180 1.00 0.00 C ATOM 611 CD ARG A 90 58.592 -5.644 -64.519 1.00 0.00 C ATOM 612 NE ARG A 90 59.118 -6.892 -63.974 1.00 0.00 N ATOM 613 CZ ARG A 90 59.466 -7.932 -64.723 1.00 0.00 C ATOM 614 NH1 ARG A 90 59.344 -7.874 -66.042 1.00 0.00 N ATOM 615 NH2 ARG A 90 59.937 -9.034 -64.154 1.00 0.00 N ATOM 0 H ARG A 90 60.747 -0.987 -66.109 1.00 0.00 H new ATOM 0 HA ARG A 90 60.217 -3.577 -67.367 1.00 0.00 H new ATOM 0 HB2 ARG A 90 59.375 -2.764 -64.626 1.00 0.00 H new ATOM 0 HB3 ARG A 90 58.109 -3.428 -65.640 1.00 0.00 H new ATOM 0 HG2 ARG A 90 60.000 -5.293 -66.101 1.00 0.00 H new ATOM 0 HG3 ARG A 90 60.547 -4.756 -64.525 1.00 0.00 H new ATOM 0 HD2 ARG A 90 58.127 -5.067 -63.720 1.00 0.00 H new ATOM 0 HD3 ARG A 90 57.812 -5.867 -65.247 1.00 0.00 H new ATOM 0 HE ARG A 90 59.224 -6.969 -62.962 1.00 0.00 H new ATOM 0 HH11 ARG A 90 58.982 -7.029 -66.484 1.00 0.00 H new ATOM 0 HH12 ARG A 90 59.612 -8.674 -66.615 1.00 0.00 H new ATOM 0 HH21 ARG A 90 60.032 -9.083 -63.140 1.00 0.00 H new ATOM 0 HH22 ARG A 90 60.204 -9.832 -64.731 1.00 0.00 H new ATOM 629 N MET A 91 57.914 -2.647 -68.179 1.00 0.00 N ATOM 630 CA MET A 91 56.881 -1.980 -68.963 1.00 0.00 C ATOM 631 C MET A 91 55.548 -1.987 -68.223 1.00 0.00 C ATOM 632 O MET A 91 55.013 -3.047 -67.898 1.00 0.00 O ATOM 633 CB MET A 91 56.725 -2.660 -70.325 1.00 0.00 C ATOM 634 CG MET A 91 55.604 -2.078 -71.170 1.00 0.00 C ATOM 635 SD MET A 91 55.942 -0.389 -71.704 1.00 0.00 S ATOM 636 CE MET A 91 56.246 -0.641 -73.451 1.00 0.00 C ATOM 0 H MET A 91 57.871 -3.666 -68.204 1.00 0.00 H new ATOM 0 HA MET A 91 57.187 -0.945 -69.115 1.00 0.00 H new ATOM 0 HB2 MET A 91 57.663 -2.576 -70.873 1.00 0.00 H new ATOM 0 HB3 MET A 91 56.539 -3.723 -70.172 1.00 0.00 H new ATOM 0 HG2 MET A 91 55.450 -2.708 -72.046 1.00 0.00 H new ATOM 0 HG3 MET A 91 54.676 -2.095 -70.598 1.00 0.00 H new ATOM 0 HE1 MET A 91 56.470 0.316 -73.923 1.00 0.00 H new ATOM 0 HE2 MET A 91 57.092 -1.316 -73.579 1.00 0.00 H new ATOM 0 HE3 MET A 91 55.361 -1.076 -73.915 1.00 0.00 H new ATOM 646 N ALA A 92 55.016 -0.798 -67.958 1.00 0.00 N ATOM 647 CA ALA A 92 53.745 -0.668 -67.258 1.00 0.00 C ATOM 648 C ALA A 92 52.630 -1.393 -68.004 1.00 0.00 C ATOM 649 O ALA A 92 52.427 -1.176 -69.199 1.00 0.00 O ATOM 650 CB ALA A 92 53.391 0.800 -67.074 1.00 0.00 C ATOM 0 H ALA A 92 55.447 0.089 -68.218 1.00 0.00 H new ATOM 0 HA ALA A 92 53.851 -1.131 -66.277 1.00 0.00 H new ATOM 0 HB1 ALA A 92 52.439 0.882 -66.550 1.00 0.00 H new ATOM 0 HB2 ALA A 92 54.170 1.292 -66.491 1.00 0.00 H new ATOM 0 HB3 ALA A 92 53.310 1.280 -68.049 1.00 0.00 H new ATOM 716 N GLY A 97 52.860 3.564 -69.243 1.00 0.00 N ATOM 717 CA GLY A 97 54.097 3.675 -69.995 1.00 0.00 C ATOM 718 C GLY A 97 55.182 2.759 -69.464 1.00 0.00 C ATOM 719 O GLY A 97 55.024 1.538 -69.456 1.00 0.00 O ATOM 0 HA2 GLY A 97 53.905 3.438 -71.041 1.00 0.00 H new ATOM 0 HA3 GLY A 97 54.448 4.706 -69.961 1.00 0.00 H new ATOM 723 N TYR A 98 56.287 3.348 -69.021 1.00 0.00 N ATOM 724 CA TYR A 98 57.404 2.577 -68.490 1.00 0.00 C ATOM 725 C TYR A 98 57.423 2.623 -66.965 1.00 0.00 C ATOM 726 O TYR A 98 56.691 3.397 -66.348 1.00 0.00 O ATOM 727 CB TYR A 98 58.727 3.109 -69.043 1.00 0.00 C ATOM 728 CG TYR A 98 58.948 2.781 -70.503 1.00 0.00 C ATOM 729 CD1 TYR A 98 58.680 1.511 -70.998 1.00 0.00 C ATOM 730 CD2 TYR A 98 59.426 3.741 -71.386 1.00 0.00 C ATOM 731 CE1 TYR A 98 58.881 1.207 -72.331 1.00 0.00 C ATOM 732 CE2 TYR A 98 59.629 3.446 -72.720 1.00 0.00 C ATOM 733 CZ TYR A 98 59.355 2.178 -73.188 1.00 0.00 C ATOM 734 OH TYR A 98 59.557 1.880 -74.516 1.00 0.00 O ATOM 0 H TYR A 98 56.433 4.358 -69.019 1.00 0.00 H new ATOM 0 HA TYR A 98 57.277 1.541 -68.803 1.00 0.00 H new ATOM 0 HB2 TYR A 98 58.757 4.191 -68.914 1.00 0.00 H new ATOM 0 HB3 TYR A 98 59.548 2.696 -68.458 1.00 0.00 H new ATOM 0 HD1 TYR A 98 58.308 0.748 -70.330 1.00 0.00 H new ATOM 0 HD2 TYR A 98 59.643 4.735 -71.023 1.00 0.00 H new ATOM 0 HE1 TYR A 98 58.668 0.214 -72.700 1.00 0.00 H new ATOM 0 HE2 TYR A 98 60.000 4.204 -73.393 1.00 0.00 H new ATOM 0 HH TYR A 98 59.892 2.674 -74.982 1.00 0.00 H new ATOM 744 N GLU A 99 58.265 1.789 -66.364 1.00 0.00 N ATOM 745 CA GLU A 99 58.379 1.734 -64.911 1.00 0.00 C ATOM 746 C GLU A 99 59.794 1.348 -64.491 1.00 0.00 C ATOM 747 O GLU A 99 60.389 0.424 -65.047 1.00 0.00 O ATOM 748 CB GLU A 99 57.374 0.734 -64.336 1.00 0.00 C ATOM 749 CG GLU A 99 57.500 -0.661 -64.923 1.00 0.00 C ATOM 750 CD GLU A 99 56.723 -1.698 -64.134 1.00 0.00 C ATOM 751 OE1 GLU A 99 56.904 -1.762 -62.900 1.00 0.00 O ATOM 752 OE2 GLU A 99 55.934 -2.445 -64.751 1.00 0.00 O ATOM 0 H GLU A 99 58.878 1.142 -66.860 1.00 0.00 H new ATOM 0 HA GLU A 99 58.159 2.726 -64.517 1.00 0.00 H new ATOM 0 HB2 GLU A 99 57.508 0.678 -63.256 1.00 0.00 H new ATOM 0 HB3 GLU A 99 56.364 1.104 -64.513 1.00 0.00 H new ATOM 0 HG2 GLU A 99 57.144 -0.651 -65.953 1.00 0.00 H new ATOM 0 HG3 GLU A 99 58.552 -0.945 -64.952 1.00 0.00 H new ATOM 759 N TYR A 100 60.328 2.063 -63.506 1.00 0.00 N ATOM 760 CA TYR A 100 61.674 1.798 -63.013 1.00 0.00 C ATOM 761 C TYR A 100 61.686 1.693 -61.491 1.00 0.00 C ATOM 762 O TYR A 100 61.004 2.450 -60.799 1.00 0.00 O ATOM 763 CB TYR A 100 62.632 2.901 -63.466 1.00 0.00 C ATOM 764 CG TYR A 100 62.450 3.305 -64.911 1.00 0.00 C ATOM 765 CD1 TYR A 100 61.496 4.247 -65.275 1.00 0.00 C ATOM 766 CD2 TYR A 100 63.233 2.745 -65.914 1.00 0.00 C ATOM 767 CE1 TYR A 100 61.325 4.619 -66.594 1.00 0.00 C ATOM 768 CE2 TYR A 100 63.070 3.111 -67.236 1.00 0.00 C ATOM 769 CZ TYR A 100 62.115 4.048 -67.571 1.00 0.00 C ATOM 770 OH TYR A 100 61.949 4.417 -68.887 1.00 0.00 O ATOM 0 H TYR A 100 59.849 2.830 -63.034 1.00 0.00 H new ATOM 0 HA TYR A 100 62.004 0.846 -63.428 1.00 0.00 H new ATOM 0 HB2 TYR A 100 62.491 3.776 -62.832 1.00 0.00 H new ATOM 0 HB3 TYR A 100 63.658 2.563 -63.318 1.00 0.00 H new ATOM 0 HD1 TYR A 100 60.877 4.697 -64.513 1.00 0.00 H new ATOM 0 HD2 TYR A 100 63.982 2.011 -65.655 1.00 0.00 H new ATOM 0 HE1 TYR A 100 60.578 5.352 -66.859 1.00 0.00 H new ATOM 0 HE2 TYR A 100 63.687 2.666 -68.003 1.00 0.00 H new ATOM 0 HH TYR A 100 62.583 3.923 -69.448 1.00 0.00 H new ATOM 780 N LEU A 101 62.465 0.748 -60.975 1.00 0.00 N ATOM 781 CA LEU A 101 62.567 0.543 -59.535 1.00 0.00 C ATOM 782 C LEU A 101 63.548 1.532 -58.912 1.00 0.00 C ATOM 783 O LEU A 101 64.585 1.846 -59.497 1.00 0.00 O ATOM 784 CB LEU A 101 63.011 -0.890 -59.234 1.00 0.00 C ATOM 785 CG LEU A 101 61.900 -1.941 -59.191 1.00 0.00 C ATOM 786 CD1 LEU A 101 62.354 -3.225 -59.868 1.00 0.00 C ATOM 787 CD2 LEU A 101 61.481 -2.213 -57.754 1.00 0.00 C ATOM 0 H LEU A 101 63.035 0.112 -61.533 1.00 0.00 H new ATOM 0 HA LEU A 101 61.583 0.712 -59.099 1.00 0.00 H new ATOM 0 HB2 LEU A 101 63.739 -1.190 -59.988 1.00 0.00 H new ATOM 0 HB3 LEU A 101 63.527 -0.895 -58.274 1.00 0.00 H new ATOM 0 HG LEU A 101 61.037 -1.554 -59.734 1.00 0.00 H new ATOM 0 HD11 LEU A 101 61.551 -3.961 -59.828 1.00 0.00 H new ATOM 0 HD12 LEU A 101 62.605 -3.019 -60.908 1.00 0.00 H new ATOM 0 HD13 LEU A 101 63.231 -3.617 -59.354 1.00 0.00 H new ATOM 0 HD21 LEU A 101 60.690 -2.963 -57.741 1.00 0.00 H new ATOM 0 HD22 LEU A 101 62.338 -2.580 -57.188 1.00 0.00 H new ATOM 0 HD23 LEU A 101 61.115 -1.292 -57.301 1.00 0.00 H new ATOM 799 N LEU A 102 63.214 2.017 -57.721 1.00 0.00 N ATOM 800 CA LEU A 102 64.066 2.969 -57.017 1.00 0.00 C ATOM 801 C LEU A 102 64.975 2.254 -56.023 1.00 0.00 C ATOM 802 O LEU A 102 64.512 1.473 -55.191 1.00 0.00 O ATOM 803 CB LEU A 102 63.211 4.007 -56.288 1.00 0.00 C ATOM 804 CG LEU A 102 62.108 4.668 -57.115 1.00 0.00 C ATOM 805 CD1 LEU A 102 61.366 5.704 -56.285 1.00 0.00 C ATOM 806 CD2 LEU A 102 62.689 5.303 -58.370 1.00 0.00 C ATOM 0 H LEU A 102 62.360 1.767 -57.223 1.00 0.00 H new ATOM 0 HA LEU A 102 64.690 3.474 -57.754 1.00 0.00 H new ATOM 0 HB2 LEU A 102 62.752 3.528 -55.424 1.00 0.00 H new ATOM 0 HB3 LEU A 102 63.869 4.788 -55.907 1.00 0.00 H new ATOM 0 HG LEU A 102 61.397 3.899 -57.418 1.00 0.00 H new ATOM 0 HD11 LEU A 102 60.585 6.164 -56.890 1.00 0.00 H new ATOM 0 HD12 LEU A 102 60.916 5.221 -55.418 1.00 0.00 H new ATOM 0 HD13 LEU A 102 62.065 6.471 -55.951 1.00 0.00 H new ATOM 0 HD21 LEU A 102 61.889 5.768 -58.946 1.00 0.00 H new ATOM 0 HD22 LEU A 102 63.422 6.060 -58.089 1.00 0.00 H new ATOM 0 HD23 LEU A 102 63.173 4.536 -58.975 1.00 0.00 H new ATOM 818 N LYS A 103 66.273 2.527 -56.113 1.00 0.00 N ATOM 819 CA LYS A 103 67.248 1.913 -55.220 1.00 0.00 C ATOM 820 C LYS A 103 67.650 2.877 -54.108 1.00 0.00 C ATOM 821 O LYS A 103 68.206 3.944 -54.370 1.00 0.00 O ATOM 822 CB LYS A 103 68.487 1.479 -56.006 1.00 0.00 C ATOM 823 CG LYS A 103 69.434 0.596 -55.210 1.00 0.00 C ATOM 824 CD LYS A 103 70.713 0.315 -55.979 1.00 0.00 C ATOM 825 CE LYS A 103 71.644 -0.599 -55.198 1.00 0.00 C ATOM 826 NZ LYS A 103 71.348 -2.037 -55.448 1.00 0.00 N ATOM 0 H LYS A 103 66.674 3.170 -56.796 1.00 0.00 H new ATOM 0 HA LYS A 103 66.787 1.035 -54.767 1.00 0.00 H new ATOM 0 HB2 LYS A 103 68.170 0.943 -56.901 1.00 0.00 H new ATOM 0 HB3 LYS A 103 69.025 2.367 -56.339 1.00 0.00 H new ATOM 0 HG2 LYS A 103 69.676 1.081 -54.264 1.00 0.00 H new ATOM 0 HG3 LYS A 103 68.939 -0.345 -54.969 1.00 0.00 H new ATOM 0 HD2 LYS A 103 70.469 -0.145 -56.937 1.00 0.00 H new ATOM 0 HD3 LYS A 103 71.222 1.254 -56.197 1.00 0.00 H new ATOM 0 HE2 LYS A 103 72.677 -0.387 -55.475 1.00 0.00 H new ATOM 0 HE3 LYS A 103 71.550 -0.389 -54.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 72.004 -2.627 -54.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 70.370 -2.245 -55.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 71.463 -2.244 -56.461 1.00 0.00 H new ATOM 840 N TRP A 104 67.367 2.494 -52.868 1.00 0.00 N ATOM 841 CA TRP A 104 67.701 3.325 -51.717 1.00 0.00 C ATOM 842 C TRP A 104 69.201 3.301 -51.445 1.00 0.00 C ATOM 843 O TRP A 104 69.822 2.238 -51.436 1.00 0.00 O ATOM 844 CB TRP A 104 66.938 2.849 -50.480 1.00 0.00 C ATOM 845 CG TRP A 104 65.452 2.828 -50.671 1.00 0.00 C ATOM 846 CD1 TRP A 104 64.659 1.724 -50.809 1.00 0.00 C ATOM 847 CD2 TRP A 104 64.581 3.962 -50.746 1.00 0.00 C ATOM 848 NE1 TRP A 104 63.348 2.104 -50.966 1.00 0.00 N ATOM 849 CE2 TRP A 104 63.274 3.472 -50.929 1.00 0.00 C ATOM 850 CE3 TRP A 104 64.779 5.343 -50.673 1.00 0.00 C ATOM 851 CZ2 TRP A 104 62.172 4.315 -51.043 1.00 0.00 C ATOM 852 CZ3 TRP A 104 63.684 6.179 -50.786 1.00 0.00 C ATOM 853 CH2 TRP A 104 62.394 5.664 -50.968 1.00 0.00 C ATOM 0 H TRP A 104 66.907 1.614 -52.634 1.00 0.00 H new ATOM 0 HA TRP A 104 67.408 4.350 -51.943 1.00 0.00 H new ATOM 0 HB2 TRP A 104 67.277 1.848 -50.216 1.00 0.00 H new ATOM 0 HB3 TRP A 104 67.180 3.500 -49.640 1.00 0.00 H new ATOM 0 HD1 TRP A 104 65.011 0.703 -50.797 1.00 0.00 H new ATOM 0 HE1 TRP A 104 62.558 1.471 -51.090 1.00 0.00 H new ATOM 0 HE3 TRP A 104 65.769 5.750 -50.531 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 61.177 3.919 -51.186 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 63.826 7.248 -50.733 1.00 0.00 H new ATOM 0 HH2 TRP A 104 61.559 6.344 -51.051 1.00 0.00 H new ATOM 864 N GLU A 105 69.778 4.478 -51.223 1.00 0.00 N ATOM 865 CA GLU A 105 71.206 4.589 -50.951 1.00 0.00 C ATOM 866 C GLU A 105 71.576 3.844 -49.672 1.00 0.00 C ATOM 867 O GLU A 105 71.012 4.097 -48.608 1.00 0.00 O ATOM 868 CB GLU A 105 71.612 6.060 -50.834 1.00 0.00 C ATOM 869 CG GLU A 105 73.116 6.276 -50.811 1.00 0.00 C ATOM 870 CD GLU A 105 73.728 5.982 -49.456 1.00 0.00 C ATOM 871 OE1 GLU A 105 73.151 6.419 -48.438 1.00 0.00 O ATOM 872 OE2 GLU A 105 74.782 5.315 -49.412 1.00 0.00 O ATOM 0 H GLU A 105 69.279 5.367 -51.226 1.00 0.00 H new ATOM 0 HA GLU A 105 71.745 4.136 -51.783 1.00 0.00 H new ATOM 0 HB2 GLU A 105 71.187 6.613 -51.671 1.00 0.00 H new ATOM 0 HB3 GLU A 105 71.180 6.476 -49.924 1.00 0.00 H new ATOM 0 HG2 GLU A 105 73.582 5.638 -51.562 1.00 0.00 H new ATOM 0 HG3 GLU A 105 73.335 7.307 -51.088 1.00 0.00 H new ATOM 879 N GLY A 106 72.529 2.924 -49.785 1.00 0.00 N ATOM 880 CA GLY A 106 72.958 2.155 -48.631 1.00 0.00 C ATOM 881 C GLY A 106 72.194 0.854 -48.484 1.00 0.00 C ATOM 882 O GLY A 106 72.742 -0.147 -48.023 1.00 0.00 O ATOM 0 H GLY A 106 73.012 2.697 -50.655 1.00 0.00 H new ATOM 0 HA2 GLY A 106 74.023 1.939 -48.718 1.00 0.00 H new ATOM 0 HA3 GLY A 106 72.826 2.754 -47.730 1.00 0.00 H new ATOM 886 N TYR A 107 70.925 0.868 -48.875 1.00 0.00 N ATOM 887 CA TYR A 107 70.083 -0.319 -48.781 1.00 0.00 C ATOM 888 C TYR A 107 69.895 -0.963 -50.151 1.00 0.00 C ATOM 889 O TYR A 107 69.454 -0.314 -51.100 1.00 0.00 O ATOM 890 CB TYR A 107 68.722 0.042 -48.183 1.00 0.00 C ATOM 891 CG TYR A 107 68.807 0.622 -46.790 1.00 0.00 C ATOM 892 CD1 TYR A 107 69.381 -0.099 -45.750 1.00 0.00 C ATOM 893 CD2 TYR A 107 68.311 1.890 -46.512 1.00 0.00 C ATOM 894 CE1 TYR A 107 69.461 0.427 -44.475 1.00 0.00 C ATOM 895 CE2 TYR A 107 68.388 2.424 -45.241 1.00 0.00 C ATOM 896 CZ TYR A 107 68.963 1.689 -44.225 1.00 0.00 C ATOM 897 OH TYR A 107 69.040 2.217 -42.957 1.00 0.00 O ATOM 0 H TYR A 107 70.456 1.688 -49.260 1.00 0.00 H new ATOM 0 HA TYR A 107 70.581 -1.036 -48.128 1.00 0.00 H new ATOM 0 HB2 TYR A 107 68.226 0.760 -48.837 1.00 0.00 H new ATOM 0 HB3 TYR A 107 68.097 -0.851 -48.158 1.00 0.00 H new ATOM 0 HD1 TYR A 107 69.771 -1.088 -45.942 1.00 0.00 H new ATOM 0 HD2 TYR A 107 67.857 2.468 -47.304 1.00 0.00 H new ATOM 0 HE1 TYR A 107 69.911 -0.147 -43.678 1.00 0.00 H new ATOM 0 HE2 TYR A 107 68.000 3.412 -45.043 1.00 0.00 H new ATOM 0 HH TYR A 107 68.645 3.114 -42.952 1.00 0.00 H new ATOM 907 N ASP A 108 70.232 -2.245 -50.245 1.00 0.00 N ATOM 908 CA ASP A 108 70.099 -2.980 -51.498 1.00 0.00 C ATOM 909 C ASP A 108 68.970 -4.003 -51.411 1.00 0.00 C ATOM 910 O ASP A 108 69.163 -5.114 -50.918 1.00 0.00 O ATOM 911 CB ASP A 108 71.413 -3.681 -51.844 1.00 0.00 C ATOM 912 CG ASP A 108 72.627 -2.853 -51.471 1.00 0.00 C ATOM 913 OD1 ASP A 108 73.034 -1.996 -52.283 1.00 0.00 O ATOM 914 OD2 ASP A 108 73.170 -3.061 -50.366 1.00 0.00 O ATOM 0 H ASP A 108 70.599 -2.796 -49.469 1.00 0.00 H new ATOM 0 HA ASP A 108 69.858 -2.266 -52.286 1.00 0.00 H new ATOM 0 HB2 ASP A 108 71.457 -4.639 -51.326 1.00 0.00 H new ATOM 0 HB3 ASP A 108 71.437 -3.895 -52.913 1.00 0.00 H new ATOM 919 N ASP A 109 67.793 -3.618 -51.891 1.00 0.00 N ATOM 920 CA ASP A 109 66.632 -4.502 -51.868 1.00 0.00 C ATOM 921 C ASP A 109 66.573 -5.354 -53.131 1.00 0.00 C ATOM 922 O ASP A 109 67.163 -5.025 -54.160 1.00 0.00 O ATOM 923 CB ASP A 109 65.347 -3.686 -51.726 1.00 0.00 C ATOM 924 CG ASP A 109 64.834 -3.655 -50.300 1.00 0.00 C ATOM 925 OD1 ASP A 109 65.298 -2.797 -49.521 1.00 0.00 O ATOM 926 OD2 ASP A 109 63.969 -4.491 -49.962 1.00 0.00 O ATOM 0 H ASP A 109 67.617 -2.701 -52.301 1.00 0.00 H new ATOM 0 HA ASP A 109 66.728 -5.166 -51.009 1.00 0.00 H new ATOM 0 HB2 ASP A 109 65.528 -2.666 -52.066 1.00 0.00 H new ATOM 0 HB3 ASP A 109 64.580 -4.107 -52.376 1.00 0.00 H new ATOM 931 N PRO A 110 65.843 -6.477 -53.054 1.00 0.00 N ATOM 932 CA PRO A 110 65.689 -7.400 -54.183 1.00 0.00 C ATOM 933 C PRO A 110 64.840 -6.809 -55.303 1.00 0.00 C ATOM 934 O PRO A 110 64.595 -5.603 -55.339 1.00 0.00 O ATOM 935 CB PRO A 110 64.985 -8.608 -53.559 1.00 0.00 C ATOM 936 CG PRO A 110 64.261 -8.057 -52.380 1.00 0.00 C ATOM 937 CD PRO A 110 65.112 -6.931 -51.860 1.00 0.00 C ATOM 0 HA PRO A 110 66.646 -7.639 -54.648 1.00 0.00 H new ATOM 0 HB2 PRO A 110 64.296 -9.073 -54.265 1.00 0.00 H new ATOM 0 HB3 PRO A 110 65.702 -9.374 -53.261 1.00 0.00 H new ATOM 0 HG2 PRO A 110 63.271 -7.699 -52.662 1.00 0.00 H new ATOM 0 HG3 PRO A 110 64.118 -8.822 -51.617 1.00 0.00 H new ATOM 0 HD2 PRO A 110 64.505 -6.133 -51.433 1.00 0.00 H new ATOM 0 HD3 PRO A 110 65.791 -7.269 -51.077 1.00 0.00 H new ATOM 945 N SER A 111 64.394 -7.665 -56.216 1.00 0.00 N ATOM 946 CA SER A 111 63.575 -7.227 -57.341 1.00 0.00 C ATOM 947 C SER A 111 62.198 -6.776 -56.866 1.00 0.00 C ATOM 948 O SER A 111 61.414 -6.221 -57.636 1.00 0.00 O ATOM 949 CB SER A 111 63.431 -8.355 -58.364 1.00 0.00 C ATOM 950 OG SER A 111 64.634 -8.545 -59.087 1.00 0.00 O ATOM 0 H SER A 111 64.586 -8.667 -56.199 1.00 0.00 H new ATOM 0 HA SER A 111 64.072 -6.380 -57.813 1.00 0.00 H new ATOM 0 HB2 SER A 111 63.160 -9.280 -57.855 1.00 0.00 H new ATOM 0 HB3 SER A 111 62.621 -8.122 -59.055 1.00 0.00 H new ATOM 0 HG SER A 111 64.565 -9.359 -59.628 1.00 0.00 H new ATOM 956 N ASP A 112 61.909 -7.018 -55.592 1.00 0.00 N ATOM 957 CA ASP A 112 60.627 -6.636 -55.012 1.00 0.00 C ATOM 958 C ASP A 112 60.684 -5.217 -54.454 1.00 0.00 C ATOM 959 O ASP A 112 59.824 -4.812 -53.673 1.00 0.00 O ATOM 960 CB ASP A 112 60.231 -7.616 -53.907 1.00 0.00 C ATOM 961 CG ASP A 112 59.487 -8.823 -54.443 1.00 0.00 C ATOM 962 OD1 ASP A 112 60.151 -9.816 -54.808 1.00 0.00 O ATOM 963 OD2 ASP A 112 58.240 -8.776 -54.496 1.00 0.00 O ATOM 0 H ASP A 112 62.546 -7.477 -54.941 1.00 0.00 H new ATOM 0 HA ASP A 112 59.876 -6.667 -55.801 1.00 0.00 H new ATOM 0 HB2 ASP A 112 61.127 -7.949 -53.382 1.00 0.00 H new ATOM 0 HB3 ASP A 112 59.606 -7.102 -53.177 1.00 0.00 H new ATOM 968 N ASN A 113 61.703 -4.467 -54.860 1.00 0.00 N ATOM 969 CA ASN A 113 61.873 -3.094 -54.400 1.00 0.00 C ATOM 970 C ASN A 113 60.666 -2.240 -54.778 1.00 0.00 C ATOM 971 O ASN A 113 59.629 -2.759 -55.193 1.00 0.00 O ATOM 972 CB ASN A 113 63.146 -2.489 -54.994 1.00 0.00 C ATOM 973 CG ASN A 113 64.062 -1.912 -53.932 1.00 0.00 C ATOM 974 OD1 ASN A 113 63.634 -1.631 -52.813 1.00 0.00 O ATOM 975 ND2 ASN A 113 65.331 -1.732 -54.280 1.00 0.00 N ATOM 0 H ASN A 113 62.424 -4.787 -55.507 1.00 0.00 H new ATOM 0 HA ASN A 113 61.959 -3.109 -53.313 1.00 0.00 H new ATOM 0 HB2 ASN A 113 63.682 -3.255 -55.555 1.00 0.00 H new ATOM 0 HB3 ASN A 113 62.876 -1.705 -55.702 1.00 0.00 H new ATOM 0 HD21 ASN A 113 65.994 -1.347 -53.608 1.00 0.00 H new ATOM 0 HD22 ASN A 113 65.642 -1.979 -55.219 1.00 0.00 H new ATOM 982 N THR A 114 60.808 -0.927 -54.632 1.00 0.00 N ATOM 983 CA THR A 114 59.731 0.000 -54.957 1.00 0.00 C ATOM 984 C THR A 114 59.720 0.330 -56.445 1.00 0.00 C ATOM 985 O THR A 114 60.715 0.804 -56.992 1.00 0.00 O ATOM 986 CB THR A 114 59.854 1.308 -54.153 1.00 0.00 C ATOM 987 OG1 THR A 114 60.466 1.049 -52.885 1.00 0.00 O ATOM 988 CG2 THR A 114 58.488 1.944 -53.943 1.00 0.00 C ATOM 0 H THR A 114 61.659 -0.481 -54.290 1.00 0.00 H new ATOM 0 HA THR A 114 58.797 -0.495 -54.691 1.00 0.00 H new ATOM 0 HB THR A 114 60.476 2.000 -54.720 1.00 0.00 H new ATOM 0 HG1 THR A 114 60.542 1.886 -52.381 1.00 0.00 H new ATOM 0 HG21 THR A 114 58.600 2.866 -53.373 1.00 0.00 H new ATOM 0 HG22 THR A 114 58.038 2.168 -54.910 1.00 0.00 H new ATOM 0 HG23 THR A 114 57.846 1.254 -53.395 1.00 0.00 H new ATOM 996 N TRP A 115 58.590 0.076 -57.094 1.00 0.00 N ATOM 997 CA TRP A 115 58.450 0.347 -58.520 1.00 0.00 C ATOM 998 C TRP A 115 57.865 1.736 -58.755 1.00 0.00 C ATOM 999 O TRP A 115 56.744 2.026 -58.337 1.00 0.00 O ATOM 1000 CB TRP A 115 57.562 -0.711 -59.177 1.00 0.00 C ATOM 1001 CG TRP A 115 58.012 -2.115 -58.905 1.00 0.00 C ATOM 1002 CD1 TRP A 115 57.868 -2.809 -57.738 1.00 0.00 C ATOM 1003 CD2 TRP A 115 58.679 -2.993 -59.817 1.00 0.00 C ATOM 1004 NE1 TRP A 115 58.406 -4.067 -57.870 1.00 0.00 N ATOM 1005 CE2 TRP A 115 58.909 -4.205 -59.136 1.00 0.00 C ATOM 1006 CE3 TRP A 115 59.103 -2.875 -61.143 1.00 0.00 C ATOM 1007 CZ2 TRP A 115 59.545 -5.288 -59.738 1.00 0.00 C ATOM 1008 CZ3 TRP A 115 59.734 -3.951 -61.739 1.00 0.00 C ATOM 1009 CH2 TRP A 115 59.949 -5.144 -61.037 1.00 0.00 C ATOM 0 H TRP A 115 57.757 -0.317 -56.656 1.00 0.00 H new ATOM 0 HA TRP A 115 59.442 0.309 -58.970 1.00 0.00 H new ATOM 0 HB2 TRP A 115 56.539 -0.589 -58.820 1.00 0.00 H new ATOM 0 HB3 TRP A 115 57.546 -0.544 -60.254 1.00 0.00 H new ATOM 0 HD1 TRP A 115 57.400 -2.426 -56.843 1.00 0.00 H new ATOM 0 HE1 TRP A 115 58.427 -4.782 -57.143 1.00 0.00 H new ATOM 0 HE3 TRP A 115 58.941 -1.960 -61.693 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 59.713 -6.208 -59.199 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 60.067 -3.870 -62.763 1.00 0.00 H new ATOM 0 HH2 TRP A 115 60.444 -5.967 -61.531 1.00 0.00 H new ATOM 1020 N SER A 116 58.630 2.590 -59.427 1.00 0.00 N ATOM 1021 CA SER A 116 58.188 3.949 -59.715 1.00 0.00 C ATOM 1022 C SER A 116 57.750 4.082 -61.170 1.00 0.00 C ATOM 1023 O SER A 116 58.405 3.566 -62.077 1.00 0.00 O ATOM 1024 CB SER A 116 59.309 4.947 -59.415 1.00 0.00 C ATOM 1025 OG SER A 116 59.971 5.342 -60.604 1.00 0.00 O ATOM 0 H SER A 116 59.559 2.365 -59.782 1.00 0.00 H new ATOM 0 HA SER A 116 57.333 4.169 -59.075 1.00 0.00 H new ATOM 0 HB2 SER A 116 58.896 5.824 -58.916 1.00 0.00 H new ATOM 0 HB3 SER A 116 60.026 4.498 -58.728 1.00 0.00 H new ATOM 0 HG SER A 116 60.471 4.582 -60.968 1.00 0.00 H new ATOM 1031 N SER A 117 56.638 4.777 -61.386 1.00 0.00 N ATOM 1032 CA SER A 117 56.109 4.975 -62.730 1.00 0.00 C ATOM 1033 C SER A 117 57.127 5.687 -63.616 1.00 0.00 C ATOM 1034 O SER A 117 58.215 6.043 -63.164 1.00 0.00 O ATOM 1035 CB SER A 117 54.810 5.782 -62.677 1.00 0.00 C ATOM 1036 OG SER A 117 55.040 7.084 -62.168 1.00 0.00 O ATOM 0 H SER A 117 56.086 5.213 -60.647 1.00 0.00 H new ATOM 0 HA SER A 117 55.902 3.995 -63.159 1.00 0.00 H new ATOM 0 HB2 SER A 117 54.379 5.849 -63.676 1.00 0.00 H new ATOM 0 HB3 SER A 117 54.083 5.266 -62.050 1.00 0.00 H new ATOM 0 HG SER A 117 54.195 7.580 -62.146 1.00 0.00 H new ATOM 1042 N GLU A 118 56.765 5.889 -64.879 1.00 0.00 N ATOM 1043 CA GLU A 118 57.647 6.558 -65.828 1.00 0.00 C ATOM 1044 C GLU A 118 57.708 8.057 -65.551 1.00 0.00 C ATOM 1045 O GLU A 118 58.709 8.712 -65.841 1.00 0.00 O ATOM 1046 CB GLU A 118 57.171 6.311 -67.261 1.00 0.00 C ATOM 1047 CG GLU A 118 57.849 7.202 -68.289 1.00 0.00 C ATOM 1048 CD GLU A 118 57.098 8.498 -68.524 1.00 0.00 C ATOM 1049 OE1 GLU A 118 55.880 8.439 -68.790 1.00 0.00 O ATOM 1050 OE2 GLU A 118 57.730 9.572 -68.441 1.00 0.00 O ATOM 0 H GLU A 118 55.868 5.599 -65.268 1.00 0.00 H new ATOM 0 HA GLU A 118 58.648 6.144 -65.709 1.00 0.00 H new ATOM 0 HB2 GLU A 118 57.352 5.268 -67.521 1.00 0.00 H new ATOM 0 HB3 GLU A 118 56.094 6.469 -67.310 1.00 0.00 H new ATOM 0 HG2 GLU A 118 58.862 7.429 -67.956 1.00 0.00 H new ATOM 0 HG3 GLU A 118 57.937 6.661 -69.231 1.00 0.00 H new ATOM 1057 N ALA A 119 56.630 8.593 -64.989 1.00 0.00 N ATOM 1058 CA ALA A 119 56.561 10.014 -64.671 1.00 0.00 C ATOM 1059 C ALA A 119 57.720 10.433 -63.774 1.00 0.00 C ATOM 1060 O ALA A 119 58.097 11.605 -63.737 1.00 0.00 O ATOM 1061 CB ALA A 119 55.232 10.342 -64.007 1.00 0.00 C ATOM 0 H ALA A 119 55.792 8.065 -64.744 1.00 0.00 H new ATOM 0 HA ALA A 119 56.637 10.574 -65.603 1.00 0.00 H new ATOM 0 HB1 ALA A 119 55.194 11.406 -63.775 1.00 0.00 H new ATOM 0 HB2 ALA A 119 54.415 10.089 -64.683 1.00 0.00 H new ATOM 0 HB3 ALA A 119 55.133 9.766 -63.087 1.00 0.00 H new ATOM 1067 N ASP A 120 58.282 9.470 -63.052 1.00 0.00 N ATOM 1068 CA ASP A 120 59.399 9.739 -62.154 1.00 0.00 C ATOM 1069 C ASP A 120 60.659 10.082 -62.943 1.00 0.00 C ATOM 1070 O ASP A 120 61.593 10.683 -62.410 1.00 0.00 O ATOM 1071 CB ASP A 120 59.660 8.531 -61.253 1.00 0.00 C ATOM 1072 CG ASP A 120 60.717 8.810 -60.203 1.00 0.00 C ATOM 1073 OD1 ASP A 120 60.453 9.629 -59.298 1.00 0.00 O ATOM 1074 OD2 ASP A 120 61.808 8.208 -60.286 1.00 0.00 O ATOM 0 H ASP A 120 57.982 8.495 -63.071 1.00 0.00 H new ATOM 0 HA ASP A 120 59.136 10.595 -61.533 1.00 0.00 H new ATOM 0 HB2 ASP A 120 58.731 8.241 -60.761 1.00 0.00 H new ATOM 0 HB3 ASP A 120 59.974 7.686 -61.865 1.00 0.00 H new ATOM 1079 N CYS A 121 60.678 9.697 -64.214 1.00 0.00 N ATOM 1080 CA CYS A 121 61.825 9.962 -65.076 1.00 0.00 C ATOM 1081 C CYS A 121 62.156 11.451 -65.098 1.00 0.00 C ATOM 1082 O CYS A 121 63.290 11.841 -65.374 1.00 0.00 O ATOM 1083 CB CYS A 121 61.546 9.468 -66.497 1.00 0.00 C ATOM 1084 SG CYS A 121 60.512 10.583 -67.476 1.00 0.00 S ATOM 0 H CYS A 121 59.913 9.201 -64.671 1.00 0.00 H new ATOM 0 HA CYS A 121 62.683 9.424 -64.674 1.00 0.00 H new ATOM 0 HB2 CYS A 121 62.495 9.323 -67.013 1.00 0.00 H new ATOM 0 HB3 CYS A 121 61.061 8.493 -66.443 1.00 0.00 H new ATOM 0 HG CYS A 121 59.399 9.985 -67.783 1.00 0.00 H new ATOM 1090 N SER A 122 61.157 12.278 -64.807 1.00 0.00 N ATOM 1091 CA SER A 122 61.340 13.725 -64.799 1.00 0.00 C ATOM 1092 C SER A 122 62.159 14.161 -63.587 1.00 0.00 C ATOM 1093 O SER A 122 62.848 15.179 -63.624 1.00 0.00 O ATOM 1094 CB SER A 122 59.984 14.432 -64.794 1.00 0.00 C ATOM 1095 OG SER A 122 60.143 15.840 -64.792 1.00 0.00 O ATOM 0 H SER A 122 60.213 11.971 -64.574 1.00 0.00 H new ATOM 0 HA SER A 122 61.883 14.004 -65.702 1.00 0.00 H new ATOM 0 HB2 SER A 122 59.409 14.129 -65.669 1.00 0.00 H new ATOM 0 HB3 SER A 122 59.414 14.126 -63.917 1.00 0.00 H new ATOM 0 HG SER A 122 59.262 16.269 -64.790 1.00 0.00 H new ATOM 1101 N GLY A 123 62.076 13.382 -62.513 1.00 0.00 N ATOM 1102 CA GLY A 123 62.813 13.704 -61.305 1.00 0.00 C ATOM 1103 C GLY A 123 64.152 12.996 -61.237 1.00 0.00 C ATOM 1104 O GLY A 123 65.156 13.590 -60.841 1.00 0.00 O ATOM 0 H GLY A 123 61.512 12.534 -62.458 1.00 0.00 H new ATOM 0 HA2 GLY A 123 62.972 14.781 -61.256 1.00 0.00 H new ATOM 0 HA3 GLY A 123 62.216 13.430 -60.435 1.00 0.00 H new ATOM 1108 N CYS A 124 64.167 11.725 -61.620 1.00 0.00 N ATOM 1109 CA CYS A 124 65.393 10.934 -61.599 1.00 0.00 C ATOM 1110 C CYS A 124 65.887 10.659 -63.015 1.00 0.00 C ATOM 1111 O CYS A 124 66.380 9.570 -63.312 1.00 0.00 O ATOM 1112 CB CYS A 124 65.160 9.614 -60.861 1.00 0.00 C ATOM 1113 SG CYS A 124 64.689 9.811 -59.127 1.00 0.00 S ATOM 0 H CYS A 124 63.345 11.219 -61.949 1.00 0.00 H new ATOM 0 HA CYS A 124 66.157 11.506 -61.073 1.00 0.00 H new ATOM 0 HB2 CYS A 124 64.380 9.055 -61.377 1.00 0.00 H new ATOM 0 HB3 CYS A 124 66.069 9.015 -60.914 1.00 0.00 H new ATOM 0 HG CYS A 124 63.930 8.819 -58.768 1.00 0.00 H new ATOM 1119 N LYS A 125 65.751 11.652 -63.887 1.00 0.00 N ATOM 1120 CA LYS A 125 66.184 11.518 -65.273 1.00 0.00 C ATOM 1121 C LYS A 125 67.615 10.996 -65.349 1.00 0.00 C ATOM 1122 O LYS A 125 67.936 10.162 -66.194 1.00 0.00 O ATOM 1123 CB LYS A 125 66.081 12.865 -65.993 1.00 0.00 C ATOM 1124 CG LYS A 125 66.885 13.971 -65.331 1.00 0.00 C ATOM 1125 CD LYS A 125 68.211 14.197 -66.037 1.00 0.00 C ATOM 1126 CE LYS A 125 68.606 15.665 -66.024 1.00 0.00 C ATOM 1127 NZ LYS A 125 67.980 16.418 -67.146 1.00 0.00 N ATOM 0 H LYS A 125 65.344 12.559 -63.658 1.00 0.00 H new ATOM 0 HA LYS A 125 65.528 10.799 -65.764 1.00 0.00 H new ATOM 0 HB2 LYS A 125 66.422 12.745 -67.021 1.00 0.00 H new ATOM 0 HB3 LYS A 125 65.034 13.165 -66.037 1.00 0.00 H new ATOM 0 HG2 LYS A 125 66.307 14.895 -65.336 1.00 0.00 H new ATOM 0 HG3 LYS A 125 67.067 13.715 -64.287 1.00 0.00 H new ATOM 0 HD2 LYS A 125 68.988 13.606 -65.552 1.00 0.00 H new ATOM 0 HD3 LYS A 125 68.140 13.847 -67.067 1.00 0.00 H new ATOM 0 HE2 LYS A 125 68.309 16.113 -65.076 1.00 0.00 H new ATOM 0 HE3 LYS A 125 69.691 15.750 -66.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 68.274 17.415 -67.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 68.284 16.007 -68.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 66.945 16.359 -67.069 1.00 0.00 H new ATOM 1141 N GLN A 126 68.469 11.493 -64.460 1.00 0.00 N ATOM 1142 CA GLN A 126 69.865 11.075 -64.427 1.00 0.00 C ATOM 1143 C GLN A 126 69.979 9.572 -64.198 1.00 0.00 C ATOM 1144 O GLN A 126 70.875 8.917 -64.733 1.00 0.00 O ATOM 1145 CB GLN A 126 70.619 11.829 -63.329 1.00 0.00 C ATOM 1146 CG GLN A 126 69.896 11.839 -61.992 1.00 0.00 C ATOM 1147 CD GLN A 126 69.104 13.112 -61.767 1.00 0.00 C ATOM 1148 OE1 GLN A 126 69.414 14.159 -62.338 1.00 0.00 O ATOM 1149 NE2 GLN A 126 68.075 13.030 -60.932 1.00 0.00 N ATOM 0 H GLN A 126 68.219 12.185 -63.754 1.00 0.00 H new ATOM 0 HA GLN A 126 70.311 11.311 -65.393 1.00 0.00 H new ATOM 0 HB2 GLN A 126 71.602 11.376 -63.198 1.00 0.00 H new ATOM 0 HB3 GLN A 126 70.782 12.857 -63.652 1.00 0.00 H new ATOM 0 HG2 GLN A 126 69.223 10.983 -61.941 1.00 0.00 H new ATOM 0 HG3 GLN A 126 70.623 11.721 -61.189 1.00 0.00 H new ATOM 0 HE21 GLN A 126 67.854 12.142 -60.481 1.00 0.00 H new ATOM 0 HE22 GLN A 126 67.506 13.855 -60.742 1.00 0.00 H new ATOM 1158 N LEU A 127 69.066 9.029 -63.400 1.00 0.00 N ATOM 1159 CA LEU A 127 69.063 7.602 -63.099 1.00 0.00 C ATOM 1160 C LEU A 127 68.540 6.797 -64.284 1.00 0.00 C ATOM 1161 O LEU A 127 69.115 5.772 -64.653 1.00 0.00 O ATOM 1162 CB LEU A 127 68.209 7.323 -61.861 1.00 0.00 C ATOM 1163 CG LEU A 127 68.548 8.139 -60.613 1.00 0.00 C ATOM 1164 CD1 LEU A 127 67.816 7.587 -59.400 1.00 0.00 C ATOM 1165 CD2 LEU A 127 70.051 8.147 -60.374 1.00 0.00 C ATOM 0 H LEU A 127 68.318 9.556 -62.950 1.00 0.00 H new ATOM 0 HA LEU A 127 70.090 7.296 -62.900 1.00 0.00 H new ATOM 0 HB2 LEU A 127 67.165 7.504 -62.116 1.00 0.00 H new ATOM 0 HB3 LEU A 127 68.298 6.265 -61.614 1.00 0.00 H new ATOM 0 HG LEU A 127 68.220 9.166 -60.773 1.00 0.00 H new ATOM 0 HD11 LEU A 127 68.069 8.180 -58.521 1.00 0.00 H new ATOM 0 HD12 LEU A 127 66.741 7.634 -59.572 1.00 0.00 H new ATOM 0 HD13 LEU A 127 68.113 6.551 -59.236 1.00 0.00 H new ATOM 0 HD21 LEU A 127 70.274 8.732 -59.482 1.00 0.00 H new ATOM 0 HD22 LEU A 127 70.403 7.125 -60.235 1.00 0.00 H new ATOM 0 HD23 LEU A 127 70.554 8.590 -61.234 1.00 0.00 H new ATOM 1177 N ILE A 128 67.449 7.268 -64.878 1.00 0.00 N ATOM 1178 CA ILE A 128 66.851 6.594 -66.023 1.00 0.00 C ATOM 1179 C ILE A 128 67.851 6.461 -67.166 1.00 0.00 C ATOM 1180 O ILE A 128 67.950 5.410 -67.798 1.00 0.00 O ATOM 1181 CB ILE A 128 65.605 7.344 -66.531 1.00 0.00 C ATOM 1182 CG1 ILE A 128 64.632 7.599 -65.378 1.00 0.00 C ATOM 1183 CG2 ILE A 128 64.926 6.553 -67.638 1.00 0.00 C ATOM 1184 CD1 ILE A 128 64.209 6.341 -64.653 1.00 0.00 C ATOM 0 H ILE A 128 66.961 8.114 -64.585 1.00 0.00 H new ATOM 0 HA ILE A 128 66.554 5.601 -65.685 1.00 0.00 H new ATOM 0 HB ILE A 128 65.918 8.306 -66.938 1.00 0.00 H new ATOM 0 HG12 ILE A 128 65.097 8.280 -64.665 1.00 0.00 H new ATOM 0 HG13 ILE A 128 63.745 8.100 -65.766 1.00 0.00 H new ATOM 0 HG21 ILE A 128 64.047 7.096 -67.987 1.00 0.00 H new ATOM 0 HG22 ILE A 128 65.621 6.417 -68.467 1.00 0.00 H new ATOM 0 HG23 ILE A 128 64.622 5.579 -67.255 1.00 0.00 H new ATOM 0 HD11 ILE A 128 63.520 6.599 -63.849 1.00 0.00 H new ATOM 0 HD12 ILE A 128 63.715 5.667 -65.352 1.00 0.00 H new ATOM 0 HD13 ILE A 128 65.087 5.849 -64.234 1.00 0.00 H new ATOM 1196 N GLU A 129 68.592 7.534 -67.425 1.00 0.00 N ATOM 1197 CA GLU A 129 69.586 7.536 -68.492 1.00 0.00 C ATOM 1198 C GLU A 129 70.834 6.763 -68.074 1.00 0.00 C ATOM 1199 O GLU A 129 71.413 6.022 -68.869 1.00 0.00 O ATOM 1200 CB GLU A 129 69.963 8.971 -68.865 1.00 0.00 C ATOM 1201 CG GLU A 129 70.547 9.767 -67.710 1.00 0.00 C ATOM 1202 CD GLU A 129 70.390 11.264 -67.894 1.00 0.00 C ATOM 1203 OE1 GLU A 129 69.395 11.682 -68.523 1.00 0.00 O ATOM 1204 OE2 GLU A 129 71.260 12.017 -67.410 1.00 0.00 O ATOM 0 H GLU A 129 68.523 8.412 -66.911 1.00 0.00 H new ATOM 0 HA GLU A 129 69.149 7.045 -69.362 1.00 0.00 H new ATOM 0 HB2 GLU A 129 70.685 8.947 -69.681 1.00 0.00 H new ATOM 0 HB3 GLU A 129 69.077 9.485 -69.238 1.00 0.00 H new ATOM 0 HG2 GLU A 129 70.059 9.466 -66.783 1.00 0.00 H new ATOM 0 HG3 GLU A 129 71.605 9.527 -67.606 1.00 0.00 H new ATOM 1211 N ALA A 130 71.243 6.943 -66.823 1.00 0.00 N ATOM 1212 CA ALA A 130 72.421 6.262 -66.299 1.00 0.00 C ATOM 1213 C ALA A 130 72.299 4.751 -66.463 1.00 0.00 C ATOM 1214 O ALA A 130 73.227 4.091 -66.931 1.00 0.00 O ATOM 1215 CB ALA A 130 72.630 6.621 -64.835 1.00 0.00 C ATOM 0 H ALA A 130 70.776 7.555 -66.153 1.00 0.00 H new ATOM 0 HA ALA A 130 73.288 6.595 -66.871 1.00 0.00 H new ATOM 0 HB1 ALA A 130 73.513 6.106 -64.456 1.00 0.00 H new ATOM 0 HB2 ALA A 130 72.770 7.698 -64.741 1.00 0.00 H new ATOM 0 HB3 ALA A 130 71.757 6.317 -64.258 1.00 0.00 H new ATOM 1221 N TYR A 131 71.151 4.209 -66.074 1.00 0.00 N ATOM 1222 CA TYR A 131 70.910 2.774 -66.175 1.00 0.00 C ATOM 1223 C TYR A 131 71.067 2.295 -67.615 1.00 0.00 C ATOM 1224 O TYR A 131 71.683 1.262 -67.873 1.00 0.00 O ATOM 1225 CB TYR A 131 69.509 2.434 -65.662 1.00 0.00 C ATOM 1226 CG TYR A 131 69.130 0.983 -65.855 1.00 0.00 C ATOM 1227 CD1 TYR A 131 69.848 -0.031 -65.232 1.00 0.00 C ATOM 1228 CD2 TYR A 131 68.056 0.625 -66.659 1.00 0.00 C ATOM 1229 CE1 TYR A 131 69.506 -1.359 -65.405 1.00 0.00 C ATOM 1230 CE2 TYR A 131 67.706 -0.699 -66.837 1.00 0.00 C ATOM 1231 CZ TYR A 131 68.434 -1.687 -66.208 1.00 0.00 C ATOM 1232 OH TYR A 131 68.089 -3.008 -66.384 1.00 0.00 O ATOM 0 H TYR A 131 70.372 4.741 -65.686 1.00 0.00 H new ATOM 0 HA TYR A 131 71.650 2.263 -65.559 1.00 0.00 H new ATOM 0 HB2 TYR A 131 69.450 2.678 -64.601 1.00 0.00 H new ATOM 0 HB3 TYR A 131 68.781 3.062 -66.175 1.00 0.00 H new ATOM 0 HD1 TYR A 131 70.688 0.223 -64.602 1.00 0.00 H new ATOM 0 HD2 TYR A 131 67.484 1.396 -67.154 1.00 0.00 H new ATOM 0 HE1 TYR A 131 70.075 -2.135 -64.914 1.00 0.00 H new ATOM 0 HE2 TYR A 131 66.867 -0.959 -67.465 1.00 0.00 H new ATOM 0 HH TYR A 131 67.311 -3.067 -66.977 1.00 0.00 H new ATOM 1242 N TRP A 132 70.505 3.055 -68.548 1.00 0.00 N ATOM 1243 CA TRP A 132 70.583 2.710 -69.963 1.00 0.00 C ATOM 1244 C TRP A 132 72.012 2.842 -70.478 1.00 0.00 C ATOM 1245 O TRP A 132 72.448 2.069 -71.330 1.00 0.00 O ATOM 1246 CB TRP A 132 69.648 3.604 -70.779 1.00 0.00 C ATOM 1247 CG TRP A 132 68.212 3.183 -70.709 1.00 0.00 C ATOM 1248 CD1 TRP A 132 67.457 3.027 -69.581 1.00 0.00 C ATOM 1249 CD2 TRP A 132 67.358 2.862 -71.812 1.00 0.00 C ATOM 1250 NE1 TRP A 132 66.186 2.629 -69.917 1.00 0.00 N ATOM 1251 CE2 TRP A 132 66.099 2.521 -71.280 1.00 0.00 C ATOM 1252 CE3 TRP A 132 67.533 2.831 -73.198 1.00 0.00 C ATOM 1253 CZ2 TRP A 132 65.025 2.154 -72.086 1.00 0.00 C ATOM 1254 CZ3 TRP A 132 66.466 2.466 -73.997 1.00 0.00 C ATOM 1255 CH2 TRP A 132 65.225 2.132 -73.439 1.00 0.00 C ATOM 0 H TRP A 132 69.991 3.913 -68.351 1.00 0.00 H new ATOM 0 HA TRP A 132 70.271 1.672 -70.076 1.00 0.00 H new ATOM 0 HB2 TRP A 132 69.736 4.630 -70.423 1.00 0.00 H new ATOM 0 HB3 TRP A 132 69.970 3.599 -71.820 1.00 0.00 H new ATOM 0 HD1 TRP A 132 67.808 3.192 -68.573 1.00 0.00 H new ATOM 0 HE1 TRP A 132 65.429 2.444 -69.258 1.00 0.00 H new ATOM 0 HE3 TRP A 132 68.486 3.088 -73.637 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 64.068 1.896 -71.658 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 66.591 2.438 -75.069 1.00 0.00 H new ATOM 0 HH2 TRP A 132 64.410 1.852 -74.090 1.00 0.00 H new ATOM 1266 N ASN A 133 72.736 3.827 -69.956 1.00 0.00 N ATOM 1267 CA ASN A 133 74.116 4.060 -70.364 1.00 0.00 C ATOM 1268 C ASN A 133 75.014 2.904 -69.932 1.00 0.00 C ATOM 1269 O ASN A 133 76.000 2.589 -70.597 1.00 0.00 O ATOM 1270 CB ASN A 133 74.632 5.371 -69.769 1.00 0.00 C ATOM 1271 CG ASN A 133 76.127 5.542 -69.954 1.00 0.00 C ATOM 1272 OD1 ASN A 133 76.657 5.329 -71.045 1.00 0.00 O ATOM 1273 ND2 ASN A 133 76.815 5.929 -68.886 1.00 0.00 N ATOM 0 H ASN A 133 72.390 4.476 -69.250 1.00 0.00 H new ATOM 0 HA ASN A 133 74.140 4.129 -71.452 1.00 0.00 H new ATOM 0 HB2 ASN A 133 74.113 6.208 -70.236 1.00 0.00 H new ATOM 0 HB3 ASN A 133 74.394 5.402 -68.706 1.00 0.00 H new ATOM 0 HD21 ASN A 133 77.824 6.061 -68.950 1.00 0.00 H new ATOM 0 HD22 ASN A 133 76.334 6.094 -68.002 1.00 0.00 H new ATOM 1280 N GLU A 134 74.664 2.277 -68.813 1.00 0.00 N ATOM 1281 CA GLU A 134 75.439 1.157 -68.292 1.00 0.00 C ATOM 1282 C GLU A 134 75.377 -0.036 -69.242 1.00 0.00 C ATOM 1283 O GLU A 134 76.334 -0.802 -69.357 1.00 0.00 O ATOM 1284 CB GLU A 134 74.923 0.750 -66.910 1.00 0.00 C ATOM 1285 CG GLU A 134 75.763 -0.323 -66.238 1.00 0.00 C ATOM 1286 CD GLU A 134 75.260 -0.675 -64.852 1.00 0.00 C ATOM 1287 OE1 GLU A 134 74.170 -1.276 -64.751 1.00 0.00 O ATOM 1288 OE2 GLU A 134 75.957 -0.350 -63.868 1.00 0.00 O ATOM 0 H GLU A 134 73.850 2.525 -68.251 1.00 0.00 H new ATOM 0 HA GLU A 134 76.478 1.476 -68.204 1.00 0.00 H new ATOM 0 HB2 GLU A 134 74.893 1.631 -66.269 1.00 0.00 H new ATOM 0 HB3 GLU A 134 73.898 0.391 -67.005 1.00 0.00 H new ATOM 0 HG2 GLU A 134 75.765 -1.219 -66.858 1.00 0.00 H new ATOM 0 HG3 GLU A 134 76.796 0.019 -66.170 1.00 0.00 H new ATOM 1295 N HIS A 135 74.243 -0.187 -69.919 1.00 0.00 N ATOM 1296 CA HIS A 135 74.055 -1.286 -70.859 1.00 0.00 C ATOM 1297 C HIS A 135 74.832 -1.038 -72.149 1.00 0.00 C ATOM 1298 O HIS A 135 75.245 -1.977 -72.827 1.00 0.00 O ATOM 1299 CB HIS A 135 72.569 -1.469 -71.172 1.00 0.00 C ATOM 1300 CG HIS A 135 72.300 -2.516 -72.208 1.00 0.00 C ATOM 1301 ND1 HIS A 135 72.533 -3.859 -71.999 1.00 0.00 N ATOM 1302 CD2 HIS A 135 71.813 -2.412 -73.467 1.00 0.00 C ATOM 1303 CE1 HIS A 135 72.202 -4.535 -73.085 1.00 0.00 C ATOM 1304 NE2 HIS A 135 71.762 -3.680 -73.990 1.00 0.00 N ATOM 0 H HIS A 135 73.441 0.438 -69.834 1.00 0.00 H new ATOM 0 HA HIS A 135 74.436 -2.196 -70.396 1.00 0.00 H new ATOM 0 HB2 HIS A 135 72.043 -1.733 -70.255 1.00 0.00 H new ATOM 0 HB3 HIS A 135 72.158 -0.519 -71.512 1.00 0.00 H new ATOM 0 HD2 HIS A 135 71.519 -1.501 -73.967 1.00 0.00 H new ATOM 0 HE1 HIS A 135 72.278 -5.605 -73.211 1.00 0.00 H new ATOM 0 HE2 HIS A 135 71.437 -3.923 -74.926 1.00 0.00 H new ATOM 1312 N GLY A 136 75.025 0.235 -72.481 1.00 0.00 N ATOM 1313 CA GLY A 136 75.750 0.584 -73.689 1.00 0.00 C ATOM 1314 C GLY A 136 74.835 1.073 -74.794 1.00 0.00 C ATOM 1315 O GLY A 136 75.104 0.853 -75.974 1.00 0.00 O ATOM 0 H GLY A 136 74.693 1.030 -71.936 1.00 0.00 H new ATOM 0 HA2 GLY A 136 76.482 1.358 -73.459 1.00 0.00 H new ATOM 0 HA3 GLY A 136 76.305 -0.286 -74.040 1.00 0.00 H new