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 116 SER OG : rot 180:sc= -0.42 USER MOD Set 1.2: A 121 CYS SG : rot -164:sc= -0.231 USER MOD Set 2.1: A 91 MET CE :methyl -168:sc= 0 (180deg=-0.139) USER MOD Set 2.2: 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 HIS : no HD1:sc= -0.419 K(o=-0.42,f=-1.4) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 167:sc= -0.0625 (180deg=-0.289) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 52:sc= 0.0841 USER MOD Single : A 113 ASN : amide:sc= -3.23 K(o=-3.2,f=-4) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot -94:sc= 0.447 USER MOD Single : A 124 CYS SG : rot 150:sc= -0.141 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 GLN : amide:sc= -0.0159 K(o=-0.016,f=-1.3!) USER MOD Single : A 131 TYR OH : rot 69:sc= 0.0227 USER MOD Single : A 133 ASN : amide:sc= -0.185 K(o=-0.18,f=-1.1) USER MOD Single : A 135 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 462 N VAL A 82 67.392 8.394 -50.074 1.00 0.00 N ATOM 463 CA VAL A 82 67.195 9.063 -51.354 1.00 0.00 C ATOM 464 C VAL A 82 67.485 8.121 -52.517 1.00 0.00 C ATOM 465 O VAL A 82 68.313 7.217 -52.406 1.00 0.00 O ATOM 466 CB VAL A 82 68.092 10.308 -51.480 1.00 0.00 C ATOM 467 CG1 VAL A 82 67.737 11.098 -52.731 1.00 0.00 C ATOM 468 CG2 VAL A 82 67.974 11.179 -50.238 1.00 0.00 C ATOM 0 HA VAL A 82 66.150 9.372 -51.392 1.00 0.00 H new ATOM 0 HB VAL A 82 69.128 9.980 -51.568 1.00 0.00 H new ATOM 0 HG11 VAL A 82 68.381 11.974 -52.803 1.00 0.00 H new ATOM 0 HG12 VAL A 82 67.879 10.470 -53.610 1.00 0.00 H new ATOM 0 HG13 VAL A 82 66.696 11.417 -52.677 1.00 0.00 H new ATOM 0 HG21 VAL A 82 68.615 12.054 -50.345 1.00 0.00 H new ATOM 0 HG22 VAL A 82 66.939 11.500 -50.115 1.00 0.00 H new ATOM 0 HG23 VAL A 82 68.283 10.608 -49.362 1.00 0.00 H new ATOM 478 N VAL A 83 66.797 8.339 -53.633 1.00 0.00 N ATOM 479 CA VAL A 83 66.981 7.510 -54.819 1.00 0.00 C ATOM 480 C VAL A 83 68.419 7.582 -55.321 1.00 0.00 C ATOM 481 O VAL A 83 68.887 8.638 -55.744 1.00 0.00 O ATOM 482 CB VAL A 83 66.031 7.935 -55.954 1.00 0.00 C ATOM 483 CG1 VAL A 83 66.096 6.943 -57.105 1.00 0.00 C ATOM 484 CG2 VAL A 83 64.608 8.069 -55.435 1.00 0.00 C ATOM 0 H VAL A 83 66.107 9.082 -53.741 1.00 0.00 H new ATOM 0 HA VAL A 83 66.751 6.485 -54.528 1.00 0.00 H new ATOM 0 HB VAL A 83 66.351 8.908 -56.326 1.00 0.00 H new ATOM 0 HG11 VAL A 83 65.418 7.260 -57.897 1.00 0.00 H new ATOM 0 HG12 VAL A 83 67.114 6.902 -57.493 1.00 0.00 H new ATOM 0 HG13 VAL A 83 65.803 5.955 -56.751 1.00 0.00 H new ATOM 0 HG21 VAL A 83 63.950 8.370 -56.250 1.00 0.00 H new ATOM 0 HG22 VAL A 83 64.275 7.111 -55.035 1.00 0.00 H new ATOM 0 HG23 VAL A 83 64.577 8.822 -54.647 1.00 0.00 H new ATOM 494 N GLU A 84 69.114 6.449 -55.271 1.00 0.00 N ATOM 495 CA GLU A 84 70.500 6.384 -55.722 1.00 0.00 C ATOM 496 C GLU A 84 70.573 6.060 -57.211 1.00 0.00 C ATOM 497 O GLU A 84 71.189 6.790 -57.988 1.00 0.00 O ATOM 498 CB GLU A 84 71.271 5.333 -54.921 1.00 0.00 C ATOM 499 CG GLU A 84 72.777 5.533 -54.945 1.00 0.00 C ATOM 500 CD GLU A 84 73.540 4.238 -54.746 1.00 0.00 C ATOM 501 OE1 GLU A 84 73.026 3.176 -55.156 1.00 0.00 O ATOM 502 OE2 GLU A 84 74.653 4.287 -54.181 1.00 0.00 O ATOM 0 H GLU A 84 68.741 5.566 -54.923 1.00 0.00 H new ATOM 0 HA GLU A 84 70.955 7.361 -55.558 1.00 0.00 H new ATOM 0 HB2 GLU A 84 70.927 5.352 -53.887 1.00 0.00 H new ATOM 0 HB3 GLU A 84 71.038 4.344 -55.316 1.00 0.00 H new ATOM 0 HG2 GLU A 84 73.066 5.978 -55.897 1.00 0.00 H new ATOM 0 HG3 GLU A 84 73.058 6.240 -54.165 1.00 0.00 H new ATOM 509 N LYS A 85 69.940 4.959 -57.602 1.00 0.00 N ATOM 510 CA LYS A 85 69.932 4.536 -58.998 1.00 0.00 C ATOM 511 C LYS A 85 68.777 3.577 -59.268 1.00 0.00 C ATOM 512 O LYS A 85 68.058 3.180 -58.351 1.00 0.00 O ATOM 513 CB LYS A 85 71.260 3.865 -59.357 1.00 0.00 C ATOM 514 CG LYS A 85 71.451 2.506 -58.706 1.00 0.00 C ATOM 515 CD LYS A 85 72.922 2.194 -58.488 1.00 0.00 C ATOM 516 CE LYS A 85 73.570 1.651 -59.752 1.00 0.00 C ATOM 517 NZ LYS A 85 74.971 1.207 -59.511 1.00 0.00 N ATOM 0 H LYS A 85 69.426 4.343 -56.972 1.00 0.00 H new ATOM 0 HA LYS A 85 69.800 5.422 -59.620 1.00 0.00 H new ATOM 0 HB2 LYS A 85 71.319 3.751 -60.439 1.00 0.00 H new ATOM 0 HB3 LYS A 85 72.080 4.519 -59.060 1.00 0.00 H new ATOM 0 HG2 LYS A 85 70.928 2.483 -57.750 1.00 0.00 H new ATOM 0 HG3 LYS A 85 71.004 1.735 -59.333 1.00 0.00 H new ATOM 0 HD2 LYS A 85 73.443 3.097 -58.170 1.00 0.00 H new ATOM 0 HD3 LYS A 85 73.025 1.466 -57.683 1.00 0.00 H new ATOM 0 HE2 LYS A 85 72.984 0.813 -60.130 1.00 0.00 H new ATOM 0 HE3 LYS A 85 73.561 2.420 -60.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 75.377 0.844 -60.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 75.537 2.012 -59.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 74.978 0.455 -58.793 1.00 0.00 H new ATOM 531 N VAL A 86 68.605 3.207 -60.534 1.00 0.00 N ATOM 532 CA VAL A 86 67.539 2.293 -60.925 1.00 0.00 C ATOM 533 C VAL A 86 67.997 0.842 -60.827 1.00 0.00 C ATOM 534 O VAL A 86 69.103 0.498 -61.246 1.00 0.00 O ATOM 535 CB VAL A 86 67.058 2.572 -62.361 1.00 0.00 C ATOM 536 CG1 VAL A 86 65.937 1.618 -62.744 1.00 0.00 C ATOM 537 CG2 VAL A 86 66.608 4.019 -62.499 1.00 0.00 C ATOM 0 H VAL A 86 69.191 3.527 -61.306 1.00 0.00 H new ATOM 0 HA VAL A 86 66.712 2.458 -60.235 1.00 0.00 H new ATOM 0 HB VAL A 86 67.892 2.407 -63.044 1.00 0.00 H new ATOM 0 HG11 VAL A 86 65.610 1.831 -63.762 1.00 0.00 H new ATOM 0 HG12 VAL A 86 66.297 0.591 -62.686 1.00 0.00 H new ATOM 0 HG13 VAL A 86 65.099 1.748 -62.059 1.00 0.00 H new ATOM 0 HG21 VAL A 86 66.271 4.200 -63.520 1.00 0.00 H new ATOM 0 HG22 VAL A 86 65.789 4.213 -61.807 1.00 0.00 H new ATOM 0 HG23 VAL A 86 67.442 4.683 -62.269 1.00 0.00 H new ATOM 547 N LEU A 87 67.139 -0.007 -60.273 1.00 0.00 N ATOM 548 CA LEU A 87 67.454 -1.424 -60.120 1.00 0.00 C ATOM 549 C LEU A 87 67.044 -2.209 -61.362 1.00 0.00 C ATOM 550 O LEU A 87 67.868 -2.875 -61.989 1.00 0.00 O ATOM 551 CB LEU A 87 66.750 -1.993 -58.887 1.00 0.00 C ATOM 552 CG LEU A 87 67.417 -3.204 -58.233 1.00 0.00 C ATOM 553 CD1 LEU A 87 67.433 -4.386 -59.190 1.00 0.00 C ATOM 554 CD2 LEU A 87 68.830 -2.858 -57.787 1.00 0.00 C ATOM 0 H LEU A 87 66.219 0.261 -59.922 1.00 0.00 H new ATOM 0 HA LEU A 87 68.532 -1.520 -59.991 1.00 0.00 H new ATOM 0 HB2 LEU A 87 66.669 -1.202 -58.142 1.00 0.00 H new ATOM 0 HB3 LEU A 87 65.734 -2.271 -59.169 1.00 0.00 H new ATOM 0 HG LEU A 87 66.837 -3.483 -57.353 1.00 0.00 H new ATOM 0 HD11 LEU A 87 67.911 -5.238 -58.708 1.00 0.00 H new ATOM 0 HD12 LEU A 87 66.410 -4.649 -59.461 1.00 0.00 H new ATOM 0 HD13 LEU A 87 67.989 -4.119 -60.089 1.00 0.00 H new ATOM 0 HD21 LEU A 87 69.289 -3.731 -57.324 1.00 0.00 H new ATOM 0 HD22 LEU A 87 69.420 -2.553 -58.651 1.00 0.00 H new ATOM 0 HD23 LEU A 87 68.794 -2.041 -57.066 1.00 0.00 H new ATOM 566 N LYS A 88 65.765 -2.125 -61.713 1.00 0.00 N ATOM 567 CA LYS A 88 65.245 -2.825 -62.882 1.00 0.00 C ATOM 568 C LYS A 88 64.208 -1.974 -63.608 1.00 0.00 C ATOM 569 O LYS A 88 63.710 -0.986 -63.066 1.00 0.00 O ATOM 570 CB LYS A 88 64.624 -4.161 -62.468 1.00 0.00 C ATOM 571 CG LYS A 88 64.896 -5.288 -63.449 1.00 0.00 C ATOM 572 CD LYS A 88 63.757 -6.293 -63.473 1.00 0.00 C ATOM 573 CE LYS A 88 63.916 -7.343 -62.384 1.00 0.00 C ATOM 574 NZ LYS A 88 62.637 -8.052 -62.105 1.00 0.00 N ATOM 0 H LYS A 88 65.069 -1.579 -61.205 1.00 0.00 H new ATOM 0 HA LYS A 88 66.076 -3.013 -63.562 1.00 0.00 H new ATOM 0 HB2 LYS A 88 65.009 -4.443 -61.488 1.00 0.00 H new ATOM 0 HB3 LYS A 88 63.547 -4.034 -62.363 1.00 0.00 H new ATOM 0 HG2 LYS A 88 65.040 -4.876 -64.448 1.00 0.00 H new ATOM 0 HG3 LYS A 88 65.823 -5.793 -63.176 1.00 0.00 H new ATOM 0 HD2 LYS A 88 62.808 -5.772 -63.342 1.00 0.00 H new ATOM 0 HD3 LYS A 88 63.721 -6.780 -64.447 1.00 0.00 H new ATOM 0 HE2 LYS A 88 64.674 -8.066 -62.685 1.00 0.00 H new ATOM 0 HE3 LYS A 88 64.274 -6.868 -61.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 62.788 -8.759 -61.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 61.921 -7.366 -61.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 62.308 -8.527 -62.969 1.00 0.00 H new ATOM 588 N HIS A 89 63.885 -2.364 -64.837 1.00 0.00 N ATOM 589 CA HIS A 89 62.905 -1.638 -65.637 1.00 0.00 C ATOM 590 C HIS A 89 61.749 -2.549 -66.039 1.00 0.00 C ATOM 591 O HIS A 89 61.862 -3.773 -65.980 1.00 0.00 O ATOM 592 CB HIS A 89 63.566 -1.053 -66.885 1.00 0.00 C ATOM 593 CG HIS A 89 63.876 -2.077 -67.934 1.00 0.00 C ATOM 594 ND1 HIS A 89 62.926 -2.582 -68.797 1.00 0.00 N ATOM 595 CD2 HIS A 89 65.039 -2.689 -68.257 1.00 0.00 C ATOM 596 CE1 HIS A 89 63.492 -3.462 -69.604 1.00 0.00 C ATOM 597 NE2 HIS A 89 64.774 -3.545 -69.298 1.00 0.00 N ATOM 0 H HIS A 89 64.288 -3.179 -65.301 1.00 0.00 H new ATOM 0 HA HIS A 89 62.509 -0.824 -65.030 1.00 0.00 H new ATOM 0 HB2 HIS A 89 62.910 -0.294 -67.312 1.00 0.00 H new ATOM 0 HB3 HIS A 89 64.489 -0.550 -66.596 1.00 0.00 H new ATOM 0 HD2 HIS A 89 65.997 -2.533 -67.784 1.00 0.00 H new ATOM 0 HE1 HIS A 89 62.991 -4.019 -70.382 1.00 0.00 H new ATOM 0 HE2 HIS A 89 65.456 -4.147 -69.759 1.00 0.00 H new ATOM 605 N ARG A 90 60.638 -1.943 -66.445 1.00 0.00 N ATOM 606 CA ARG A 90 59.461 -2.700 -66.854 1.00 0.00 C ATOM 607 C ARG A 90 58.603 -1.890 -67.822 1.00 0.00 C ATOM 608 O ARG A 90 58.621 -0.659 -67.802 1.00 0.00 O ATOM 609 CB ARG A 90 58.633 -3.096 -65.630 1.00 0.00 C ATOM 610 CG ARG A 90 58.940 -4.491 -65.112 1.00 0.00 C ATOM 611 CD ARG A 90 58.596 -5.556 -66.142 1.00 0.00 C ATOM 612 NE ARG A 90 58.309 -6.846 -65.520 1.00 0.00 N ATOM 613 CZ ARG A 90 59.243 -7.639 -65.008 1.00 0.00 C ATOM 614 NH1 ARG A 90 60.518 -7.276 -65.043 1.00 0.00 N ATOM 615 NH2 ARG A 90 58.903 -8.798 -64.459 1.00 0.00 N ATOM 0 H ARG A 90 60.528 -0.930 -66.499 1.00 0.00 H new ATOM 0 HA ARG A 90 59.799 -3.603 -67.363 1.00 0.00 H new ATOM 0 HB2 ARG A 90 58.811 -2.374 -64.833 1.00 0.00 H new ATOM 0 HB3 ARG A 90 57.575 -3.037 -65.883 1.00 0.00 H new ATOM 0 HG2 ARG A 90 59.997 -4.560 -64.854 1.00 0.00 H new ATOM 0 HG3 ARG A 90 58.376 -4.673 -64.197 1.00 0.00 H new ATOM 0 HD2 ARG A 90 57.732 -5.233 -66.723 1.00 0.00 H new ATOM 0 HD3 ARG A 90 59.426 -5.667 -66.840 1.00 0.00 H new ATOM 0 HE ARG A 90 57.338 -7.155 -65.477 1.00 0.00 H new ATOM 0 HH11 ARG A 90 60.783 -6.386 -65.464 1.00 0.00 H new ATOM 0 HH12 ARG A 90 61.233 -7.887 -64.649 1.00 0.00 H new ATOM 0 HH21 ARG A 90 57.923 -9.081 -64.430 1.00 0.00 H new ATOM 0 HH22 ARG A 90 59.621 -9.406 -64.066 1.00 0.00 H new ATOM 629 N MET A 91 57.853 -2.589 -68.667 1.00 0.00 N ATOM 630 CA MET A 91 56.988 -1.934 -69.642 1.00 0.00 C ATOM 631 C MET A 91 55.556 -1.845 -69.124 1.00 0.00 C ATOM 632 O MET A 91 55.016 -2.816 -68.593 1.00 0.00 O ATOM 633 CB MET A 91 57.016 -2.692 -70.971 1.00 0.00 C ATOM 634 CG MET A 91 56.054 -2.136 -72.008 1.00 0.00 C ATOM 635 SD MET A 91 56.345 -2.808 -73.656 1.00 0.00 S ATOM 636 CE MET A 91 56.724 -1.314 -74.569 1.00 0.00 C ATOM 0 H MET A 91 57.826 -3.608 -68.697 1.00 0.00 H new ATOM 0 HA MET A 91 57.362 -0.923 -69.801 1.00 0.00 H new ATOM 0 HB2 MET A 91 58.028 -2.664 -71.375 1.00 0.00 H new ATOM 0 HB3 MET A 91 56.775 -3.739 -70.788 1.00 0.00 H new ATOM 0 HG2 MET A 91 55.031 -2.358 -71.705 1.00 0.00 H new ATOM 0 HG3 MET A 91 56.148 -1.051 -72.041 1.00 0.00 H new ATOM 0 HE1 MET A 91 56.718 -1.529 -75.638 1.00 0.00 H new ATOM 0 HE2 MET A 91 55.976 -0.553 -74.348 1.00 0.00 H new ATOM 0 HE3 MET A 91 57.709 -0.950 -74.278 1.00 0.00 H new ATOM 646 N ALA A 92 54.946 -0.675 -69.282 1.00 0.00 N ATOM 647 CA ALA A 92 53.576 -0.461 -68.832 1.00 0.00 C ATOM 648 C ALA A 92 52.624 -1.464 -69.474 1.00 0.00 C ATOM 649 O ALA A 92 52.486 -1.510 -70.696 1.00 0.00 O ATOM 650 CB ALA A 92 53.135 0.962 -69.144 1.00 0.00 C ATOM 0 H ALA A 92 55.379 0.139 -69.718 1.00 0.00 H new ATOM 0 HA ALA A 92 53.546 -0.611 -67.753 1.00 0.00 H new ATOM 0 HB1 ALA A 92 52.110 1.108 -68.803 1.00 0.00 H new ATOM 0 HB2 ALA A 92 53.792 1.667 -68.634 1.00 0.00 H new ATOM 0 HB3 ALA A 92 53.187 1.131 -70.219 1.00 0.00 H new ATOM 716 N GLY A 97 52.781 4.304 -69.804 1.00 0.00 N ATOM 717 CA GLY A 97 54.157 4.746 -69.935 1.00 0.00 C ATOM 718 C GLY A 97 55.151 3.624 -69.705 1.00 0.00 C ATOM 719 O GLY A 97 55.234 2.687 -70.500 1.00 0.00 O ATOM 0 HA2 GLY A 97 54.308 5.163 -70.931 1.00 0.00 H new ATOM 0 HA3 GLY A 97 54.347 5.548 -69.222 1.00 0.00 H new ATOM 723 N TYR A 98 55.908 3.720 -68.618 1.00 0.00 N ATOM 724 CA TYR A 98 56.904 2.707 -68.289 1.00 0.00 C ATOM 725 C TYR A 98 57.120 2.625 -66.781 1.00 0.00 C ATOM 726 O TYR A 98 56.779 3.549 -66.044 1.00 0.00 O ATOM 727 CB TYR A 98 58.228 3.018 -68.989 1.00 0.00 C ATOM 728 CG TYR A 98 58.204 2.753 -70.477 1.00 0.00 C ATOM 729 CD1 TYR A 98 58.445 1.480 -70.980 1.00 0.00 C ATOM 730 CD2 TYR A 98 57.941 3.775 -71.381 1.00 0.00 C ATOM 731 CE1 TYR A 98 58.424 1.233 -72.339 1.00 0.00 C ATOM 732 CE2 TYR A 98 57.917 3.537 -72.741 1.00 0.00 C ATOM 733 CZ TYR A 98 58.159 2.265 -73.215 1.00 0.00 C ATOM 734 OH TYR A 98 58.138 2.024 -74.570 1.00 0.00 O ATOM 0 H TYR A 98 55.851 4.489 -67.950 1.00 0.00 H new ATOM 0 HA TYR A 98 56.534 1.743 -68.638 1.00 0.00 H new ATOM 0 HB2 TYR A 98 58.482 4.064 -68.819 1.00 0.00 H new ATOM 0 HB3 TYR A 98 59.018 2.420 -68.535 1.00 0.00 H new ATOM 0 HD1 TYR A 98 58.652 0.670 -70.297 1.00 0.00 H new ATOM 0 HD2 TYR A 98 57.752 4.773 -71.014 1.00 0.00 H new ATOM 0 HE1 TYR A 98 58.614 0.238 -72.713 1.00 0.00 H new ATOM 0 HE2 TYR A 98 57.710 4.343 -73.430 1.00 0.00 H new ATOM 0 HH TYR A 98 57.935 2.856 -75.047 1.00 0.00 H new ATOM 744 N GLU A 99 57.689 1.511 -66.331 1.00 0.00 N ATOM 745 CA GLU A 99 57.950 1.307 -64.911 1.00 0.00 C ATOM 746 C GLU A 99 59.447 1.166 -64.648 1.00 0.00 C ATOM 747 O GLU A 99 60.191 0.662 -65.489 1.00 0.00 O ATOM 748 CB GLU A 99 57.213 0.064 -64.408 1.00 0.00 C ATOM 749 CG GLU A 99 55.712 0.258 -64.277 1.00 0.00 C ATOM 750 CD GLU A 99 55.340 1.182 -63.134 1.00 0.00 C ATOM 751 OE1 GLU A 99 56.030 1.148 -62.094 1.00 0.00 O ATOM 752 OE2 GLU A 99 54.358 1.940 -63.280 1.00 0.00 O ATOM 0 H GLU A 99 57.978 0.737 -66.929 1.00 0.00 H new ATOM 0 HA GLU A 99 57.584 2.180 -64.371 1.00 0.00 H new ATOM 0 HB2 GLU A 99 57.406 -0.763 -65.091 1.00 0.00 H new ATOM 0 HB3 GLU A 99 57.620 -0.222 -63.438 1.00 0.00 H new ATOM 0 HG2 GLU A 99 55.319 0.664 -65.209 1.00 0.00 H new ATOM 0 HG3 GLU A 99 55.236 -0.711 -64.125 1.00 0.00 H new ATOM 759 N TYR A 100 59.880 1.616 -63.476 1.00 0.00 N ATOM 760 CA TYR A 100 61.287 1.543 -63.102 1.00 0.00 C ATOM 761 C TYR A 100 61.443 1.398 -61.591 1.00 0.00 C ATOM 762 O TYR A 100 60.844 2.146 -60.818 1.00 0.00 O ATOM 763 CB TYR A 100 62.030 2.790 -63.585 1.00 0.00 C ATOM 764 CG TYR A 100 61.973 2.986 -65.083 1.00 0.00 C ATOM 765 CD1 TYR A 100 60.931 3.692 -65.672 1.00 0.00 C ATOM 766 CD2 TYR A 100 62.961 2.466 -65.910 1.00 0.00 C ATOM 767 CE1 TYR A 100 60.874 3.873 -67.040 1.00 0.00 C ATOM 768 CE2 TYR A 100 62.914 2.644 -67.279 1.00 0.00 C ATOM 769 CZ TYR A 100 61.868 3.348 -67.839 1.00 0.00 C ATOM 770 OH TYR A 100 61.816 3.526 -69.203 1.00 0.00 O ATOM 0 H TYR A 100 59.277 2.035 -62.768 1.00 0.00 H new ATOM 0 HA TYR A 100 61.718 0.663 -63.579 1.00 0.00 H new ATOM 0 HB2 TYR A 100 61.607 3.667 -63.096 1.00 0.00 H new ATOM 0 HB3 TYR A 100 63.073 2.724 -63.275 1.00 0.00 H new ATOM 0 HD1 TYR A 100 60.152 4.106 -65.049 1.00 0.00 H new ATOM 0 HD2 TYR A 100 63.780 1.913 -65.475 1.00 0.00 H new ATOM 0 HE1 TYR A 100 60.056 4.422 -67.482 1.00 0.00 H new ATOM 0 HE2 TYR A 100 63.691 2.235 -67.907 1.00 0.00 H new ATOM 0 HH TYR A 100 62.592 3.095 -69.619 1.00 0.00 H new ATOM 780 N LEU A 101 62.253 0.429 -61.177 1.00 0.00 N ATOM 781 CA LEU A 101 62.490 0.184 -59.759 1.00 0.00 C ATOM 782 C LEU A 101 63.542 1.141 -59.209 1.00 0.00 C ATOM 783 O LEU A 101 64.569 1.383 -59.845 1.00 0.00 O ATOM 784 CB LEU A 101 62.935 -1.263 -59.538 1.00 0.00 C ATOM 785 CG LEU A 101 62.543 -1.889 -58.199 1.00 0.00 C ATOM 786 CD1 LEU A 101 61.128 -2.443 -58.263 1.00 0.00 C ATOM 787 CD2 LEU A 101 63.529 -2.982 -57.813 1.00 0.00 C ATOM 0 H LEU A 101 62.756 -0.199 -61.803 1.00 0.00 H new ATOM 0 HA LEU A 101 61.555 0.356 -59.225 1.00 0.00 H new ATOM 0 HB2 LEU A 101 62.520 -1.876 -60.338 1.00 0.00 H new ATOM 0 HB3 LEU A 101 64.020 -1.307 -59.633 1.00 0.00 H new ATOM 0 HG LEU A 101 62.573 -1.113 -57.434 1.00 0.00 H new ATOM 0 HD11 LEU A 101 60.866 -2.885 -57.301 1.00 0.00 H new ATOM 0 HD12 LEU A 101 60.432 -1.637 -58.494 1.00 0.00 H new ATOM 0 HD13 LEU A 101 61.071 -3.205 -59.040 1.00 0.00 H new ATOM 0 HD21 LEU A 101 63.235 -3.417 -56.858 1.00 0.00 H new ATOM 0 HD22 LEU A 101 63.531 -3.757 -58.579 1.00 0.00 H new ATOM 0 HD23 LEU A 101 64.528 -2.556 -57.725 1.00 0.00 H new ATOM 799 N LEU A 102 63.282 1.682 -58.024 1.00 0.00 N ATOM 800 CA LEU A 102 64.208 2.612 -57.387 1.00 0.00 C ATOM 801 C LEU A 102 65.036 1.908 -56.317 1.00 0.00 C ATOM 802 O LEU A 102 64.538 1.036 -55.604 1.00 0.00 O ATOM 803 CB LEU A 102 63.441 3.782 -56.767 1.00 0.00 C ATOM 804 CG LEU A 102 62.720 4.706 -57.749 1.00 0.00 C ATOM 805 CD1 LEU A 102 62.078 5.871 -57.011 1.00 0.00 C ATOM 806 CD2 LEU A 102 63.684 5.212 -58.811 1.00 0.00 C ATOM 0 H LEU A 102 62.437 1.493 -57.485 1.00 0.00 H new ATOM 0 HA LEU A 102 64.885 2.994 -58.152 1.00 0.00 H new ATOM 0 HB2 LEU A 102 62.705 3.380 -56.070 1.00 0.00 H new ATOM 0 HB3 LEU A 102 64.140 4.380 -56.183 1.00 0.00 H new ATOM 0 HG LEU A 102 61.933 4.137 -58.243 1.00 0.00 H new ATOM 0 HD11 LEU A 102 61.569 6.518 -57.725 1.00 0.00 H new ATOM 0 HD12 LEU A 102 61.356 5.490 -56.288 1.00 0.00 H new ATOM 0 HD13 LEU A 102 62.848 6.440 -56.490 1.00 0.00 H new ATOM 0 HD21 LEU A 102 63.153 5.868 -59.501 1.00 0.00 H new ATOM 0 HD22 LEU A 102 64.493 5.765 -58.334 1.00 0.00 H new ATOM 0 HD23 LEU A 102 64.097 4.366 -59.360 1.00 0.00 H new ATOM 818 N LYS A 103 66.303 2.293 -56.208 1.00 0.00 N ATOM 819 CA LYS A 103 67.200 1.702 -55.222 1.00 0.00 C ATOM 820 C LYS A 103 67.693 2.755 -54.234 1.00 0.00 C ATOM 821 O LYS A 103 67.872 3.919 -54.592 1.00 0.00 O ATOM 822 CB LYS A 103 68.393 1.044 -55.919 1.00 0.00 C ATOM 823 CG LYS A 103 69.485 0.596 -54.963 1.00 0.00 C ATOM 824 CD LYS A 103 70.663 -0.011 -55.706 1.00 0.00 C ATOM 825 CE LYS A 103 70.697 -1.524 -55.556 1.00 0.00 C ATOM 826 NZ LYS A 103 71.537 -1.949 -54.402 1.00 0.00 N ATOM 0 H LYS A 103 66.732 3.012 -56.791 1.00 0.00 H new ATOM 0 HA LYS A 103 66.644 0.944 -54.670 1.00 0.00 H new ATOM 0 HB2 LYS A 103 68.042 0.182 -56.486 1.00 0.00 H new ATOM 0 HB3 LYS A 103 68.816 1.746 -56.637 1.00 0.00 H new ATOM 0 HG2 LYS A 103 69.825 1.447 -54.373 1.00 0.00 H new ATOM 0 HG3 LYS A 103 69.080 -0.135 -54.263 1.00 0.00 H new ATOM 0 HD2 LYS A 103 70.601 0.250 -56.763 1.00 0.00 H new ATOM 0 HD3 LYS A 103 71.592 0.414 -55.326 1.00 0.00 H new ATOM 0 HE2 LYS A 103 69.682 -1.899 -55.424 1.00 0.00 H new ATOM 0 HE3 LYS A 103 71.085 -1.971 -56.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 71.363 -2.954 -54.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 72.541 -1.812 -54.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 71.294 -1.378 -53.567 1.00 0.00 H new ATOM 840 N TRP A 104 67.910 2.338 -52.992 1.00 0.00 N ATOM 841 CA TRP A 104 68.383 3.246 -51.953 1.00 0.00 C ATOM 842 C TRP A 104 69.907 3.277 -51.910 1.00 0.00 C ATOM 843 O TRP A 104 70.562 2.253 -52.102 1.00 0.00 O ATOM 844 CB TRP A 104 67.830 2.826 -50.590 1.00 0.00 C ATOM 845 CG TRP A 104 66.333 2.815 -50.535 1.00 0.00 C ATOM 846 CD1 TRP A 104 65.523 1.718 -50.456 1.00 0.00 C ATOM 847 CD2 TRP A 104 65.466 3.955 -50.555 1.00 0.00 C ATOM 848 NE1 TRP A 104 64.206 2.106 -50.427 1.00 0.00 N ATOM 849 CE2 TRP A 104 64.144 3.474 -50.486 1.00 0.00 C ATOM 850 CE3 TRP A 104 65.678 5.334 -50.624 1.00 0.00 C ATOM 851 CZ2 TRP A 104 63.042 4.324 -50.484 1.00 0.00 C ATOM 852 CZ3 TRP A 104 64.583 6.177 -50.622 1.00 0.00 C ATOM 853 CH2 TRP A 104 63.279 5.670 -50.552 1.00 0.00 C ATOM 0 H TRP A 104 67.766 1.378 -52.680 1.00 0.00 H new ATOM 0 HA TRP A 104 68.025 4.248 -52.189 1.00 0.00 H new ATOM 0 HB2 TRP A 104 68.203 1.831 -50.345 1.00 0.00 H new ATOM 0 HB3 TRP A 104 68.210 3.505 -49.827 1.00 0.00 H new ATOM 0 HD1 TRP A 104 65.868 0.695 -50.421 1.00 0.00 H new ATOM 0 HE1 TRP A 104 63.404 1.478 -50.371 1.00 0.00 H new ATOM 0 HE3 TRP A 104 66.680 5.734 -50.678 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 62.036 3.935 -50.431 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 64.735 7.245 -50.675 1.00 0.00 H new ATOM 0 HH2 TRP A 104 62.444 6.355 -50.552 1.00 0.00 H new ATOM 864 N GLU A 105 70.464 4.457 -51.657 1.00 0.00 N ATOM 865 CA GLU A 105 71.912 4.619 -51.590 1.00 0.00 C ATOM 866 C GLU A 105 72.470 3.998 -50.313 1.00 0.00 C ATOM 867 O GLU A 105 72.116 4.403 -49.206 1.00 0.00 O ATOM 868 CB GLU A 105 72.285 6.101 -51.654 1.00 0.00 C ATOM 869 CG GLU A 105 73.783 6.353 -51.647 1.00 0.00 C ATOM 870 CD GLU A 105 74.135 7.788 -51.988 1.00 0.00 C ATOM 871 OE1 GLU A 105 73.618 8.702 -51.311 1.00 0.00 O ATOM 872 OE2 GLU A 105 74.927 7.998 -52.930 1.00 0.00 O ATOM 0 H GLU A 105 69.935 5.314 -51.495 1.00 0.00 H new ATOM 0 HA GLU A 105 72.349 4.104 -52.445 1.00 0.00 H new ATOM 0 HB2 GLU A 105 71.856 6.536 -52.557 1.00 0.00 H new ATOM 0 HB3 GLU A 105 71.834 6.617 -50.806 1.00 0.00 H new ATOM 0 HG2 GLU A 105 74.184 6.108 -50.663 1.00 0.00 H new ATOM 0 HG3 GLU A 105 74.263 5.685 -52.362 1.00 0.00 H new ATOM 879 N GLY A 106 73.344 3.009 -50.476 1.00 0.00 N ATOM 880 CA GLY A 106 73.937 2.347 -49.328 1.00 0.00 C ATOM 881 C GLY A 106 73.168 1.108 -48.913 1.00 0.00 C ATOM 882 O GLY A 106 73.751 0.146 -48.413 1.00 0.00 O ATOM 0 H GLY A 106 73.652 2.655 -51.382 1.00 0.00 H new ATOM 0 HA2 GLY A 106 74.965 2.071 -49.562 1.00 0.00 H new ATOM 0 HA3 GLY A 106 73.977 3.044 -48.491 1.00 0.00 H new ATOM 886 N TYR A 107 71.856 1.132 -49.119 1.00 0.00 N ATOM 887 CA TYR A 107 71.005 0.003 -48.758 1.00 0.00 C ATOM 888 C TYR A 107 70.627 -0.810 -49.992 1.00 0.00 C ATOM 889 O TYR A 107 70.149 -0.265 -50.987 1.00 0.00 O ATOM 890 CB TYR A 107 69.741 0.496 -48.052 1.00 0.00 C ATOM 891 CG TYR A 107 70.019 1.411 -46.880 1.00 0.00 C ATOM 892 CD1 TYR A 107 70.931 1.053 -45.895 1.00 0.00 C ATOM 893 CD2 TYR A 107 69.371 2.634 -46.760 1.00 0.00 C ATOM 894 CE1 TYR A 107 71.188 1.885 -44.823 1.00 0.00 C ATOM 895 CE2 TYR A 107 69.623 3.473 -45.691 1.00 0.00 C ATOM 896 CZ TYR A 107 70.531 3.094 -44.725 1.00 0.00 C ATOM 897 OH TYR A 107 70.785 3.926 -43.660 1.00 0.00 O ATOM 0 H TYR A 107 71.358 1.920 -49.534 1.00 0.00 H new ATOM 0 HA TYR A 107 71.565 -0.640 -48.079 1.00 0.00 H new ATOM 0 HB2 TYR A 107 69.115 1.022 -48.772 1.00 0.00 H new ATOM 0 HB3 TYR A 107 69.171 -0.365 -47.703 1.00 0.00 H new ATOM 0 HD1 TYR A 107 71.448 0.108 -45.969 1.00 0.00 H new ATOM 0 HD2 TYR A 107 68.659 2.934 -47.514 1.00 0.00 H new ATOM 0 HE1 TYR A 107 71.899 1.591 -44.066 1.00 0.00 H new ATOM 0 HE2 TYR A 107 69.111 4.421 -45.613 1.00 0.00 H new ATOM 0 HH TYR A 107 70.241 4.737 -43.742 1.00 0.00 H new ATOM 907 N ASP A 108 70.845 -2.118 -49.919 1.00 0.00 N ATOM 908 CA ASP A 108 70.527 -3.010 -51.029 1.00 0.00 C ATOM 909 C ASP A 108 69.265 -3.814 -50.734 1.00 0.00 C ATOM 910 O ASP A 108 69.313 -4.832 -50.043 1.00 0.00 O ATOM 911 CB ASP A 108 71.697 -3.955 -51.304 1.00 0.00 C ATOM 912 CG ASP A 108 72.914 -3.229 -51.844 1.00 0.00 C ATOM 913 OD1 ASP A 108 73.156 -2.080 -51.419 1.00 0.00 O ATOM 914 OD2 ASP A 108 73.624 -3.811 -52.690 1.00 0.00 O ATOM 0 H ASP A 108 71.241 -2.585 -49.103 1.00 0.00 H new ATOM 0 HA ASP A 108 70.349 -2.400 -51.914 1.00 0.00 H new ATOM 0 HB2 ASP A 108 71.966 -4.473 -50.383 1.00 0.00 H new ATOM 0 HB3 ASP A 108 71.385 -4.716 -52.019 1.00 0.00 H new ATOM 919 N ASP A 109 68.138 -3.352 -51.263 1.00 0.00 N ATOM 920 CA ASP A 109 66.862 -4.028 -51.057 1.00 0.00 C ATOM 921 C ASP A 109 66.645 -5.111 -52.109 1.00 0.00 C ATOM 922 O ASP A 109 67.247 -5.097 -53.183 1.00 0.00 O ATOM 923 CB ASP A 109 65.713 -3.020 -51.101 1.00 0.00 C ATOM 924 CG ASP A 109 65.060 -2.827 -49.746 1.00 0.00 C ATOM 925 OD1 ASP A 109 65.795 -2.747 -48.740 1.00 0.00 O ATOM 926 OD2 ASP A 109 63.814 -2.757 -49.692 1.00 0.00 O ATOM 0 H ASP A 109 68.082 -2.512 -51.838 1.00 0.00 H new ATOM 0 HA ASP A 109 66.884 -4.500 -50.075 1.00 0.00 H new ATOM 0 HB2 ASP A 109 66.088 -2.062 -51.460 1.00 0.00 H new ATOM 0 HB3 ASP A 109 64.964 -3.358 -51.817 1.00 0.00 H new ATOM 931 N PRO A 110 65.766 -6.074 -51.795 1.00 0.00 N ATOM 932 CA PRO A 110 65.450 -7.183 -52.700 1.00 0.00 C ATOM 933 C PRO A 110 64.662 -6.727 -53.923 1.00 0.00 C ATOM 934 O PRO A 110 64.580 -5.532 -54.211 1.00 0.00 O ATOM 935 CB PRO A 110 64.599 -8.116 -51.834 1.00 0.00 C ATOM 936 CG PRO A 110 63.995 -7.228 -50.802 1.00 0.00 C ATOM 937 CD PRO A 110 65.012 -6.154 -50.533 1.00 0.00 C ATOM 0 HA PRO A 110 66.349 -7.651 -53.100 1.00 0.00 H new ATOM 0 HB2 PRO A 110 63.831 -8.615 -52.426 1.00 0.00 H new ATOM 0 HB3 PRO A 110 65.207 -8.897 -51.378 1.00 0.00 H new ATOM 0 HG2 PRO A 110 63.058 -6.798 -51.157 1.00 0.00 H new ATOM 0 HG3 PRO A 110 63.766 -7.785 -49.893 1.00 0.00 H new ATOM 0 HD2 PRO A 110 64.538 -5.204 -50.288 1.00 0.00 H new ATOM 0 HD3 PRO A 110 65.658 -6.414 -49.695 1.00 0.00 H new ATOM 945 N SER A 111 64.084 -7.685 -54.641 1.00 0.00 N ATOM 946 CA SER A 111 63.306 -7.381 -55.836 1.00 0.00 C ATOM 947 C SER A 111 61.967 -6.750 -55.466 1.00 0.00 C ATOM 948 O SER A 111 61.212 -6.315 -56.336 1.00 0.00 O ATOM 949 CB SER A 111 63.074 -8.651 -56.656 1.00 0.00 C ATOM 950 OG SER A 111 63.164 -9.808 -55.842 1.00 0.00 O ATOM 0 H SER A 111 64.140 -8.678 -54.416 1.00 0.00 H new ATOM 0 HA SER A 111 63.871 -6.668 -56.436 1.00 0.00 H new ATOM 0 HB2 SER A 111 62.092 -8.609 -57.127 1.00 0.00 H new ATOM 0 HB3 SER A 111 63.810 -8.709 -57.458 1.00 0.00 H new ATOM 0 HG SER A 111 62.579 -9.706 -55.063 1.00 0.00 H new ATOM 956 N ASP A 112 61.680 -6.703 -54.170 1.00 0.00 N ATOM 957 CA ASP A 112 60.433 -6.124 -53.683 1.00 0.00 C ATOM 958 C ASP A 112 60.593 -4.630 -53.424 1.00 0.00 C ATOM 959 O ASP A 112 59.763 -4.013 -52.757 1.00 0.00 O ATOM 960 CB ASP A 112 59.984 -6.831 -52.403 1.00 0.00 C ATOM 961 CG ASP A 112 59.444 -8.223 -52.670 1.00 0.00 C ATOM 962 OD1 ASP A 112 60.013 -8.925 -53.531 1.00 0.00 O ATOM 963 OD2 ASP A 112 58.451 -8.610 -52.017 1.00 0.00 O ATOM 0 H ASP A 112 62.294 -7.059 -53.437 1.00 0.00 H new ATOM 0 HA ASP A 112 59.672 -6.262 -54.451 1.00 0.00 H new ATOM 0 HB2 ASP A 112 60.825 -6.897 -51.713 1.00 0.00 H new ATOM 0 HB3 ASP A 112 59.215 -6.234 -51.912 1.00 0.00 H new ATOM 968 N ASN A 113 61.666 -4.053 -53.955 1.00 0.00 N ATOM 969 CA ASN A 113 61.936 -2.631 -53.780 1.00 0.00 C ATOM 970 C ASN A 113 60.737 -1.793 -54.212 1.00 0.00 C ATOM 971 O ASN A 113 59.744 -2.321 -54.714 1.00 0.00 O ATOM 972 CB ASN A 113 63.174 -2.223 -54.581 1.00 0.00 C ATOM 973 CG ASN A 113 64.341 -1.846 -53.690 1.00 0.00 C ATOM 974 OD1 ASN A 113 65.464 -2.310 -53.890 1.00 0.00 O ATOM 975 ND2 ASN A 113 64.081 -1.001 -52.699 1.00 0.00 N ATOM 0 H ASN A 113 62.363 -4.549 -54.510 1.00 0.00 H new ATOM 0 HA ASN A 113 62.121 -2.449 -52.721 1.00 0.00 H new ATOM 0 HB2 ASN A 113 63.469 -3.045 -55.233 1.00 0.00 H new ATOM 0 HB3 ASN A 113 62.925 -1.380 -55.225 1.00 0.00 H new ATOM 0 HD21 ASN A 113 64.827 -0.712 -52.067 1.00 0.00 H new ATOM 0 HD22 ASN A 113 63.135 -0.641 -52.570 1.00 0.00 H new ATOM 982 N THR A 114 60.836 -0.482 -54.015 1.00 0.00 N ATOM 983 CA THR A 114 59.760 0.430 -54.383 1.00 0.00 C ATOM 984 C THR A 114 59.792 0.743 -55.875 1.00 0.00 C ATOM 985 O THR A 114 60.834 1.108 -56.420 1.00 0.00 O ATOM 986 CB THR A 114 59.846 1.749 -53.592 1.00 0.00 C ATOM 987 OG1 THR A 114 58.739 2.593 -53.925 1.00 0.00 O ATOM 988 CG2 THR A 114 61.150 2.474 -53.887 1.00 0.00 C ATOM 0 H THR A 114 61.651 -0.028 -53.602 1.00 0.00 H new ATOM 0 HA THR A 114 58.823 -0.071 -54.139 1.00 0.00 H new ATOM 0 HB THR A 114 59.814 1.511 -52.529 1.00 0.00 H new ATOM 0 HG1 THR A 114 58.800 3.429 -53.417 1.00 0.00 H new ATOM 0 HG21 THR A 114 61.187 3.402 -53.317 1.00 0.00 H new ATOM 0 HG22 THR A 114 61.991 1.840 -53.604 1.00 0.00 H new ATOM 0 HG23 THR A 114 61.208 2.700 -54.952 1.00 0.00 H new ATOM 996 N TRP A 115 58.645 0.600 -56.529 1.00 0.00 N ATOM 997 CA TRP A 115 58.542 0.868 -57.959 1.00 0.00 C ATOM 998 C TRP A 115 58.216 2.335 -58.215 1.00 0.00 C ATOM 999 O TRP A 115 57.625 3.006 -57.369 1.00 0.00 O ATOM 1000 CB TRP A 115 57.471 -0.023 -58.590 1.00 0.00 C ATOM 1001 CG TRP A 115 57.815 -1.482 -58.553 1.00 0.00 C ATOM 1002 CD1 TRP A 115 58.033 -2.245 -57.442 1.00 0.00 C ATOM 1003 CD2 TRP A 115 57.983 -2.351 -59.678 1.00 0.00 C ATOM 1004 NE1 TRP A 115 58.326 -3.536 -57.808 1.00 0.00 N ATOM 1005 CE2 TRP A 115 58.301 -3.628 -59.174 1.00 0.00 C ATOM 1006 CE3 TRP A 115 57.894 -2.176 -61.062 1.00 0.00 C ATOM 1007 CZ2 TRP A 115 58.530 -4.720 -60.007 1.00 0.00 C ATOM 1008 CZ3 TRP A 115 58.122 -3.261 -61.886 1.00 0.00 C ATOM 1009 CH2 TRP A 115 58.436 -4.520 -61.357 1.00 0.00 C ATOM 0 H TRP A 115 57.773 0.300 -56.092 1.00 0.00 H new ATOM 0 HA TRP A 115 59.506 0.644 -58.416 1.00 0.00 H new ATOM 0 HB2 TRP A 115 56.526 0.133 -58.070 1.00 0.00 H new ATOM 0 HB3 TRP A 115 57.319 0.281 -59.626 1.00 0.00 H new ATOM 0 HD1 TRP A 115 57.982 -1.886 -56.425 1.00 0.00 H new ATOM 0 HE1 TRP A 115 58.529 -4.302 -57.166 1.00 0.00 H new ATOM 0 HE3 TRP A 115 57.651 -1.210 -61.480 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 58.773 -5.691 -59.601 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 58.057 -3.137 -62.957 1.00 0.00 H new ATOM 0 HH2 TRP A 115 58.607 -5.349 -62.028 1.00 0.00 H new ATOM 1020 N SER A 116 58.603 2.827 -59.387 1.00 0.00 N ATOM 1021 CA SER A 116 58.354 4.217 -59.753 1.00 0.00 C ATOM 1022 C SER A 116 57.939 4.327 -61.217 1.00 0.00 C ATOM 1023 O SER A 116 58.537 3.702 -62.092 1.00 0.00 O ATOM 1024 CB SER A 116 59.602 5.064 -59.500 1.00 0.00 C ATOM 1025 OG SER A 116 59.605 6.225 -60.313 1.00 0.00 O ATOM 0 H SER A 116 59.090 2.284 -60.100 1.00 0.00 H new ATOM 0 HA SER A 116 57.539 4.590 -59.133 1.00 0.00 H new ATOM 0 HB2 SER A 116 59.643 5.352 -58.450 1.00 0.00 H new ATOM 0 HB3 SER A 116 60.494 4.472 -59.703 1.00 0.00 H new ATOM 0 HG SER A 116 60.413 6.750 -60.131 1.00 0.00 H new ATOM 1031 N SER A 117 56.910 5.128 -61.475 1.00 0.00 N ATOM 1032 CA SER A 117 56.411 5.318 -62.832 1.00 0.00 C ATOM 1033 C SER A 117 57.138 6.469 -63.521 1.00 0.00 C ATOM 1034 O SER A 117 57.877 7.220 -62.885 1.00 0.00 O ATOM 1035 CB SER A 117 54.905 5.591 -62.810 1.00 0.00 C ATOM 1036 OG SER A 117 54.323 5.336 -64.077 1.00 0.00 O ATOM 0 H SER A 117 56.406 5.656 -60.762 1.00 0.00 H new ATOM 0 HA SER A 117 56.599 4.403 -63.394 1.00 0.00 H new ATOM 0 HB2 SER A 117 54.430 4.965 -62.055 1.00 0.00 H new ATOM 0 HB3 SER A 117 54.724 6.627 -62.525 1.00 0.00 H new ATOM 0 HG SER A 117 53.360 5.516 -64.037 1.00 0.00 H new ATOM 1042 N GLU A 118 56.922 6.599 -64.827 1.00 0.00 N ATOM 1043 CA GLU A 118 57.558 7.657 -65.603 1.00 0.00 C ATOM 1044 C GLU A 118 57.321 9.021 -64.961 1.00 0.00 C ATOM 1045 O GLU A 118 58.146 9.926 -65.080 1.00 0.00 O ATOM 1046 CB GLU A 118 57.025 7.658 -67.038 1.00 0.00 C ATOM 1047 CG GLU A 118 57.489 8.849 -67.859 1.00 0.00 C ATOM 1048 CD GLU A 118 56.963 8.817 -69.281 1.00 0.00 C ATOM 1049 OE1 GLU A 118 55.738 8.653 -69.458 1.00 0.00 O ATOM 1050 OE2 GLU A 118 57.778 8.957 -70.217 1.00 0.00 O ATOM 0 H GLU A 118 56.313 5.986 -65.368 1.00 0.00 H new ATOM 0 HA GLU A 118 58.631 7.464 -65.621 1.00 0.00 H new ATOM 0 HB2 GLU A 118 57.340 6.740 -67.534 1.00 0.00 H new ATOM 0 HB3 GLU A 118 55.935 7.648 -67.012 1.00 0.00 H new ATOM 0 HG2 GLU A 118 57.162 9.769 -67.375 1.00 0.00 H new ATOM 0 HG3 GLU A 118 58.579 8.870 -67.879 1.00 0.00 H new ATOM 1057 N ALA A 119 56.189 9.159 -64.279 1.00 0.00 N ATOM 1058 CA ALA A 119 55.844 10.410 -63.616 1.00 0.00 C ATOM 1059 C ALA A 119 56.939 10.837 -62.645 1.00 0.00 C ATOM 1060 O ALA A 119 57.443 11.958 -62.717 1.00 0.00 O ATOM 1061 CB ALA A 119 54.515 10.273 -62.888 1.00 0.00 C ATOM 0 H ALA A 119 55.495 8.419 -64.171 1.00 0.00 H new ATOM 0 HA ALA A 119 55.750 11.182 -64.379 1.00 0.00 H new ATOM 0 HB1 ALA A 119 54.270 11.215 -62.397 1.00 0.00 H new ATOM 0 HB2 ALA A 119 53.732 10.022 -63.604 1.00 0.00 H new ATOM 0 HB3 ALA A 119 54.589 9.483 -62.140 1.00 0.00 H new ATOM 1067 N ASP A 120 57.303 9.937 -61.738 1.00 0.00 N ATOM 1068 CA ASP A 120 58.339 10.221 -60.752 1.00 0.00 C ATOM 1069 C ASP A 120 59.723 10.187 -61.394 1.00 0.00 C ATOM 1070 O ASP A 120 60.646 10.863 -60.938 1.00 0.00 O ATOM 1071 CB ASP A 120 58.271 9.213 -59.604 1.00 0.00 C ATOM 1072 CG ASP A 120 56.977 9.316 -58.820 1.00 0.00 C ATOM 1073 OD1 ASP A 120 56.519 10.452 -58.576 1.00 0.00 O ATOM 1074 OD2 ASP A 120 56.422 8.260 -58.452 1.00 0.00 O ATOM 0 H ASP A 120 56.896 9.005 -61.665 1.00 0.00 H new ATOM 0 HA ASP A 120 58.165 11.222 -60.357 1.00 0.00 H new ATOM 0 HB2 ASP A 120 58.371 8.204 -60.004 1.00 0.00 H new ATOM 0 HB3 ASP A 120 59.114 9.375 -58.932 1.00 0.00 H new ATOM 1079 N CYS A 121 59.859 9.395 -62.451 1.00 0.00 N ATOM 1080 CA CYS A 121 61.131 9.271 -63.155 1.00 0.00 C ATOM 1081 C CYS A 121 61.634 10.635 -63.614 1.00 0.00 C ATOM 1082 O CYS A 121 62.836 10.840 -63.786 1.00 0.00 O ATOM 1083 CB CYS A 121 60.984 8.337 -64.357 1.00 0.00 C ATOM 1084 SG CYS A 121 60.734 6.601 -63.916 1.00 0.00 S ATOM 0 H CYS A 121 59.105 8.829 -62.840 1.00 0.00 H new ATOM 0 HA CYS A 121 61.861 8.849 -62.464 1.00 0.00 H new ATOM 0 HB2 CYS A 121 60.142 8.672 -64.963 1.00 0.00 H new ATOM 0 HB3 CYS A 121 61.876 8.418 -64.978 1.00 0.00 H new ATOM 0 HG CYS A 121 60.950 5.853 -64.957 1.00 0.00 H new ATOM 1090 N SER A 122 60.706 11.566 -63.814 1.00 0.00 N ATOM 1091 CA SER A 122 61.054 12.910 -64.259 1.00 0.00 C ATOM 1092 C SER A 122 62.058 13.555 -63.307 1.00 0.00 C ATOM 1093 O SER A 122 62.837 14.420 -63.703 1.00 0.00 O ATOM 1094 CB SER A 122 59.799 13.778 -64.359 1.00 0.00 C ATOM 1095 OG SER A 122 59.363 14.194 -63.076 1.00 0.00 O ATOM 0 H SER A 122 59.707 11.414 -63.675 1.00 0.00 H new ATOM 0 HA SER A 122 61.513 12.832 -65.245 1.00 0.00 H new ATOM 0 HB2 SER A 122 60.006 14.652 -64.977 1.00 0.00 H new ATOM 0 HB3 SER A 122 59.004 13.219 -64.853 1.00 0.00 H new ATOM 0 HG SER A 122 58.687 13.569 -62.742 1.00 0.00 H new ATOM 1101 N GLY A 123 62.031 13.125 -62.049 1.00 0.00 N ATOM 1102 CA GLY A 123 62.942 13.670 -61.060 1.00 0.00 C ATOM 1103 C GLY A 123 64.279 12.955 -61.046 1.00 0.00 C ATOM 1104 O GLY A 123 65.318 13.572 -60.810 1.00 0.00 O ATOM 0 H GLY A 123 61.395 12.409 -61.698 1.00 0.00 H new ATOM 0 HA2 GLY A 123 63.102 14.729 -61.263 1.00 0.00 H new ATOM 0 HA3 GLY A 123 62.486 13.600 -60.073 1.00 0.00 H new ATOM 1108 N CYS A 124 64.253 11.651 -61.299 1.00 0.00 N ATOM 1109 CA CYS A 124 65.472 10.850 -61.312 1.00 0.00 C ATOM 1110 C CYS A 124 65.908 10.548 -62.742 1.00 0.00 C ATOM 1111 O CYS A 124 66.450 9.479 -63.024 1.00 0.00 O ATOM 1112 CB CYS A 124 65.258 9.545 -60.544 1.00 0.00 C ATOM 1113 SG CYS A 124 64.499 9.762 -58.917 1.00 0.00 S ATOM 0 H CYS A 124 63.401 11.126 -61.498 1.00 0.00 H new ATOM 0 HA CYS A 124 66.260 11.424 -60.825 1.00 0.00 H new ATOM 0 HB2 CYS A 124 64.630 8.884 -61.141 1.00 0.00 H new ATOM 0 HB3 CYS A 124 66.219 9.046 -60.421 1.00 0.00 H new ATOM 0 HG CYS A 124 63.796 8.709 -58.622 1.00 0.00 H new ATOM 1119 N LYS A 125 65.666 11.495 -63.642 1.00 0.00 N ATOM 1120 CA LYS A 125 66.032 11.331 -65.043 1.00 0.00 C ATOM 1121 C LYS A 125 67.486 10.890 -65.177 1.00 0.00 C ATOM 1122 O LYS A 125 67.807 10.017 -65.983 1.00 0.00 O ATOM 1123 CB LYS A 125 65.812 12.639 -65.806 1.00 0.00 C ATOM 1124 CG LYS A 125 64.426 12.764 -66.413 1.00 0.00 C ATOM 1125 CD LYS A 125 64.012 14.218 -66.566 1.00 0.00 C ATOM 1126 CE LYS A 125 64.568 14.824 -67.846 1.00 0.00 C ATOM 1127 NZ LYS A 125 63.936 16.135 -68.159 1.00 0.00 N ATOM 0 H LYS A 125 65.217 12.385 -63.425 1.00 0.00 H new ATOM 0 HA LYS A 125 65.395 10.557 -65.471 1.00 0.00 H new ATOM 0 HB2 LYS A 125 65.980 13.477 -65.129 1.00 0.00 H new ATOM 0 HB3 LYS A 125 66.555 12.716 -66.600 1.00 0.00 H new ATOM 0 HG2 LYS A 125 64.409 12.276 -67.387 1.00 0.00 H new ATOM 0 HG3 LYS A 125 63.704 12.244 -65.784 1.00 0.00 H new ATOM 0 HD2 LYS A 125 62.924 14.289 -66.571 1.00 0.00 H new ATOM 0 HD3 LYS A 125 64.365 14.790 -65.708 1.00 0.00 H new ATOM 0 HE2 LYS A 125 65.646 14.955 -67.748 1.00 0.00 H new ATOM 0 HE3 LYS A 125 64.405 14.135 -68.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 64.342 16.515 -69.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 62.911 16.007 -68.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 64.113 16.801 -67.380 1.00 0.00 H new ATOM 1141 N GLN A 126 68.360 11.499 -64.382 1.00 0.00 N ATOM 1142 CA GLN A 126 69.780 11.168 -64.413 1.00 0.00 C ATOM 1143 C GLN A 126 69.993 9.667 -64.246 1.00 0.00 C ATOM 1144 O GLN A 126 70.818 9.066 -64.935 1.00 0.00 O ATOM 1145 CB GLN A 126 70.526 11.926 -63.313 1.00 0.00 C ATOM 1146 CG GLN A 126 69.931 11.731 -61.928 1.00 0.00 C ATOM 1147 CD GLN A 126 70.525 12.671 -60.899 1.00 0.00 C ATOM 1148 OE1 GLN A 126 71.177 13.657 -61.245 1.00 0.00 O ATOM 1149 NE2 GLN A 126 70.303 12.372 -59.625 1.00 0.00 N ATOM 0 H GLN A 126 68.110 12.224 -63.709 1.00 0.00 H new ATOM 0 HA GLN A 126 70.176 11.467 -65.384 1.00 0.00 H new ATOM 0 HB2 GLN A 126 71.566 11.601 -63.301 1.00 0.00 H new ATOM 0 HB3 GLN A 126 70.527 12.989 -63.553 1.00 0.00 H new ATOM 0 HG2 GLN A 126 68.853 11.885 -61.975 1.00 0.00 H new ATOM 0 HG3 GLN A 126 70.092 10.701 -61.609 1.00 0.00 H new ATOM 0 HE21 GLN A 126 69.757 11.545 -59.383 1.00 0.00 H new ATOM 0 HE22 GLN A 126 70.678 12.969 -58.888 1.00 0.00 H new ATOM 1158 N LEU A 127 69.244 9.067 -63.327 1.00 0.00 N ATOM 1159 CA LEU A 127 69.351 7.636 -63.069 1.00 0.00 C ATOM 1160 C LEU A 127 68.739 6.829 -64.210 1.00 0.00 C ATOM 1161 O LEU A 127 69.319 5.844 -64.668 1.00 0.00 O ATOM 1162 CB LEU A 127 68.659 7.282 -61.751 1.00 0.00 C ATOM 1163 CG LEU A 127 68.953 8.207 -60.570 1.00 0.00 C ATOM 1164 CD1 LEU A 127 68.291 7.683 -59.304 1.00 0.00 C ATOM 1165 CD2 LEU A 127 70.454 8.355 -60.367 1.00 0.00 C ATOM 0 H LEU A 127 68.556 9.550 -62.749 1.00 0.00 H new ATOM 0 HA LEU A 127 70.409 7.384 -62.997 1.00 0.00 H new ATOM 0 HB2 LEU A 127 67.582 7.272 -61.920 1.00 0.00 H new ATOM 0 HB3 LEU A 127 68.947 6.268 -61.473 1.00 0.00 H new ATOM 0 HG LEU A 127 68.539 9.190 -60.792 1.00 0.00 H new ATOM 0 HD11 LEU A 127 68.511 8.354 -58.474 1.00 0.00 H new ATOM 0 HD12 LEU A 127 67.212 7.631 -59.452 1.00 0.00 H new ATOM 0 HD13 LEU A 127 68.675 6.688 -59.078 1.00 0.00 H new ATOM 0 HD21 LEU A 127 70.643 9.017 -59.522 1.00 0.00 H new ATOM 0 HD22 LEU A 127 70.892 7.377 -60.167 1.00 0.00 H new ATOM 0 HD23 LEU A 127 70.903 8.777 -61.266 1.00 0.00 H new ATOM 1177 N ILE A 128 67.566 7.256 -64.665 1.00 0.00 N ATOM 1178 CA ILE A 128 66.877 6.575 -65.755 1.00 0.00 C ATOM 1179 C ILE A 128 67.799 6.386 -66.955 1.00 0.00 C ATOM 1180 O ILE A 128 67.894 5.292 -67.510 1.00 0.00 O ATOM 1181 CB ILE A 128 65.625 7.352 -66.202 1.00 0.00 C ATOM 1182 CG1 ILE A 128 64.656 7.519 -65.030 1.00 0.00 C ATOM 1183 CG2 ILE A 128 64.945 6.640 -67.361 1.00 0.00 C ATOM 1184 CD1 ILE A 128 64.095 6.210 -64.519 1.00 0.00 C ATOM 0 H ILE A 128 67.073 8.069 -64.296 1.00 0.00 H new ATOM 0 HA ILE A 128 66.573 5.599 -65.376 1.00 0.00 H new ATOM 0 HB ILE A 128 65.932 8.342 -66.539 1.00 0.00 H new ATOM 0 HG12 ILE A 128 65.169 8.028 -64.214 1.00 0.00 H new ATOM 0 HG13 ILE A 128 63.832 8.162 -65.339 1.00 0.00 H new ATOM 0 HG21 ILE A 128 64.062 7.202 -67.665 1.00 0.00 H new ATOM 0 HG22 ILE A 128 65.637 6.569 -68.200 1.00 0.00 H new ATOM 0 HG23 ILE A 128 64.648 5.639 -67.049 1.00 0.00 H new ATOM 0 HD11 ILE A 128 63.416 6.405 -63.689 1.00 0.00 H new ATOM 0 HD12 ILE A 128 63.553 5.709 -65.321 1.00 0.00 H new ATOM 0 HD13 ILE A 128 64.911 5.573 -64.179 1.00 0.00 H new ATOM 1196 N GLU A 129 68.478 7.459 -67.348 1.00 0.00 N ATOM 1197 CA GLU A 129 69.394 7.410 -68.481 1.00 0.00 C ATOM 1198 C GLU A 129 70.697 6.713 -68.099 1.00 0.00 C ATOM 1199 O GLU A 129 71.253 5.943 -68.880 1.00 0.00 O ATOM 1200 CB GLU A 129 69.689 8.824 -68.988 1.00 0.00 C ATOM 1201 CG GLU A 129 70.332 9.723 -67.946 1.00 0.00 C ATOM 1202 CD GLU A 129 70.186 11.195 -68.276 1.00 0.00 C ATOM 1203 OE1 GLU A 129 69.435 11.521 -69.218 1.00 0.00 O ATOM 1204 OE2 GLU A 129 70.824 12.022 -67.591 1.00 0.00 O ATOM 0 H GLU A 129 68.411 8.372 -66.899 1.00 0.00 H new ATOM 0 HA GLU A 129 68.916 6.838 -69.277 1.00 0.00 H new ATOM 0 HB2 GLU A 129 70.346 8.760 -69.855 1.00 0.00 H new ATOM 0 HB3 GLU A 129 68.759 9.281 -69.326 1.00 0.00 H new ATOM 0 HG2 GLU A 129 69.881 9.526 -66.973 1.00 0.00 H new ATOM 0 HG3 GLU A 129 71.390 9.476 -67.862 1.00 0.00 H new ATOM 1211 N ALA A 130 71.177 6.991 -66.891 1.00 0.00 N ATOM 1212 CA ALA A 130 72.412 6.390 -66.404 1.00 0.00 C ATOM 1213 C ALA A 130 72.332 4.868 -66.434 1.00 0.00 C ATOM 1214 O ALA A 130 73.310 4.191 -66.751 1.00 0.00 O ATOM 1215 CB ALA A 130 72.716 6.877 -64.994 1.00 0.00 C ATOM 0 H ALA A 130 70.729 7.628 -66.232 1.00 0.00 H new ATOM 0 HA ALA A 130 73.222 6.698 -67.066 1.00 0.00 H new ATOM 0 HB1 ALA A 130 73.641 6.420 -64.643 1.00 0.00 H new ATOM 0 HB2 ALA A 130 72.826 7.961 -64.999 1.00 0.00 H new ATOM 0 HB3 ALA A 130 71.899 6.599 -64.329 1.00 0.00 H new ATOM 1221 N TYR A 131 71.161 4.336 -66.100 1.00 0.00 N ATOM 1222 CA TYR A 131 70.954 2.892 -66.086 1.00 0.00 C ATOM 1223 C TYR A 131 71.100 2.307 -67.488 1.00 0.00 C ATOM 1224 O TYR A 131 71.748 1.278 -67.678 1.00 0.00 O ATOM 1225 CB TYR A 131 69.571 2.560 -65.524 1.00 0.00 C ATOM 1226 CG TYR A 131 69.297 1.076 -65.427 1.00 0.00 C ATOM 1227 CD1 TYR A 131 70.170 0.231 -64.753 1.00 0.00 C ATOM 1228 CD2 TYR A 131 68.165 0.519 -66.009 1.00 0.00 C ATOM 1229 CE1 TYR A 131 69.924 -1.125 -64.663 1.00 0.00 C ATOM 1230 CE2 TYR A 131 67.910 -0.836 -65.923 1.00 0.00 C ATOM 1231 CZ TYR A 131 68.793 -1.654 -65.249 1.00 0.00 C ATOM 1232 OH TYR A 131 68.544 -3.004 -65.160 1.00 0.00 O ATOM 0 H TYR A 131 70.341 4.882 -65.836 1.00 0.00 H new ATOM 0 HA TYR A 131 71.716 2.447 -65.446 1.00 0.00 H new ATOM 0 HB2 TYR A 131 69.474 3.004 -64.533 1.00 0.00 H new ATOM 0 HB3 TYR A 131 68.811 3.021 -66.155 1.00 0.00 H new ATOM 0 HD1 TYR A 131 71.056 0.642 -64.292 1.00 0.00 H new ATOM 0 HD2 TYR A 131 67.472 1.157 -66.538 1.00 0.00 H new ATOM 0 HE1 TYR A 131 70.614 -1.768 -64.136 1.00 0.00 H new ATOM 0 HE2 TYR A 131 67.025 -1.252 -66.381 1.00 0.00 H new ATOM 0 HH TYR A 131 68.319 -3.235 -64.235 1.00 0.00 H new ATOM 1242 N TRP A 132 70.494 2.971 -68.465 1.00 0.00 N ATOM 1243 CA TRP A 132 70.556 2.518 -69.850 1.00 0.00 C ATOM 1244 C TRP A 132 71.963 2.683 -70.413 1.00 0.00 C ATOM 1245 O TRP A 132 72.428 1.856 -71.197 1.00 0.00 O ATOM 1246 CB TRP A 132 69.556 3.295 -70.707 1.00 0.00 C ATOM 1247 CG TRP A 132 68.130 2.909 -70.453 1.00 0.00 C ATOM 1248 CD1 TRP A 132 67.500 2.849 -69.243 1.00 0.00 C ATOM 1249 CD2 TRP A 132 67.158 2.528 -71.432 1.00 0.00 C ATOM 1250 NE1 TRP A 132 66.195 2.454 -69.411 1.00 0.00 N ATOM 1251 CE2 TRP A 132 65.960 2.251 -70.745 1.00 0.00 C ATOM 1252 CE3 TRP A 132 67.181 2.396 -72.823 1.00 0.00 C ATOM 1253 CZ2 TRP A 132 64.800 1.850 -71.402 1.00 0.00 C ATOM 1254 CZ3 TRP A 132 66.030 1.997 -73.474 1.00 0.00 C ATOM 1255 CH2 TRP A 132 64.852 1.728 -72.764 1.00 0.00 C ATOM 0 H TRP A 132 69.954 3.825 -68.324 1.00 0.00 H new ATOM 0 HA TRP A 132 70.297 1.459 -69.873 1.00 0.00 H new ATOM 0 HB2 TRP A 132 69.676 4.361 -70.516 1.00 0.00 H new ATOM 0 HB3 TRP A 132 69.787 3.132 -71.760 1.00 0.00 H new ATOM 0 HD1 TRP A 132 67.960 3.078 -68.293 1.00 0.00 H new ATOM 0 HE1 TRP A 132 65.512 2.332 -68.664 1.00 0.00 H new ATOM 0 HE3 TRP A 132 68.083 2.602 -73.379 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 63.891 1.643 -70.856 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 66.038 1.890 -74.549 1.00 0.00 H new ATOM 0 HH2 TRP A 132 63.968 1.418 -73.302 1.00 0.00 H new ATOM 1266 N ASN A 133 72.637 3.755 -70.009 1.00 0.00 N ATOM 1267 CA ASN A 133 73.992 4.027 -70.475 1.00 0.00 C ATOM 1268 C ASN A 133 74.892 2.812 -70.269 1.00 0.00 C ATOM 1269 O ASN A 133 75.623 2.410 -71.173 1.00 0.00 O ATOM 1270 CB ASN A 133 74.573 5.237 -69.740 1.00 0.00 C ATOM 1271 CG ASN A 133 76.062 5.395 -69.975 1.00 0.00 C ATOM 1272 OD1 ASN A 133 76.579 5.019 -71.028 1.00 0.00 O ATOM 1273 ND2 ASN A 133 76.760 5.953 -68.993 1.00 0.00 N ATOM 0 H ASN A 133 72.267 4.449 -69.360 1.00 0.00 H new ATOM 0 HA ASN A 133 73.946 4.246 -71.542 1.00 0.00 H new ATOM 0 HB2 ASN A 133 74.058 6.140 -70.068 1.00 0.00 H new ATOM 0 HB3 ASN A 133 74.385 5.134 -68.671 1.00 0.00 H new ATOM 0 HD21 ASN A 133 77.766 6.085 -69.094 1.00 0.00 H new ATOM 0 HD22 ASN A 133 76.290 6.250 -68.138 1.00 0.00 H new ATOM 1280 N GLU A 134 74.831 2.233 -69.074 1.00 0.00 N ATOM 1281 CA GLU A 134 75.641 1.065 -68.750 1.00 0.00 C ATOM 1282 C GLU A 134 75.317 -0.098 -69.684 1.00 0.00 C ATOM 1283 O GLU A 134 76.151 -0.974 -69.916 1.00 0.00 O ATOM 1284 CB GLU A 134 75.413 0.645 -67.297 1.00 0.00 C ATOM 1285 CG GLU A 134 76.626 -0.007 -66.654 1.00 0.00 C ATOM 1286 CD GLU A 134 76.659 -1.509 -66.860 1.00 0.00 C ATOM 1287 OE1 GLU A 134 75.706 -2.188 -66.423 1.00 0.00 O ATOM 1288 OE2 GLU A 134 77.636 -2.005 -67.459 1.00 0.00 O ATOM 0 H GLU A 134 74.230 2.553 -68.315 1.00 0.00 H new ATOM 0 HA GLU A 134 76.689 1.334 -68.882 1.00 0.00 H new ATOM 0 HB2 GLU A 134 75.131 1.522 -66.714 1.00 0.00 H new ATOM 0 HB3 GLU A 134 74.573 -0.049 -67.256 1.00 0.00 H new ATOM 0 HG2 GLU A 134 77.533 0.433 -67.069 1.00 0.00 H new ATOM 0 HG3 GLU A 134 76.627 0.210 -65.586 1.00 0.00 H new ATOM 1295 N HIS A 135 74.099 -0.100 -70.216 1.00 0.00 N ATOM 1296 CA HIS A 135 73.662 -1.155 -71.124 1.00 0.00 C ATOM 1297 C HIS A 135 74.161 -0.891 -72.542 1.00 0.00 C ATOM 1298 O HIS A 135 74.553 -1.815 -73.254 1.00 0.00 O ATOM 1299 CB HIS A 135 72.137 -1.263 -71.119 1.00 0.00 C ATOM 1300 CG HIS A 135 71.614 -2.384 -71.962 1.00 0.00 C ATOM 1301 ND1 HIS A 135 70.916 -2.183 -73.134 1.00 0.00 N ATOM 1302 CD2 HIS A 135 71.690 -3.726 -71.798 1.00 0.00 C ATOM 1303 CE1 HIS A 135 70.585 -3.351 -73.654 1.00 0.00 C ATOM 1304 NE2 HIS A 135 71.043 -4.304 -72.862 1.00 0.00 N ATOM 0 H HIS A 135 73.397 0.617 -70.034 1.00 0.00 H new ATOM 0 HA HIS A 135 74.086 -2.098 -70.778 1.00 0.00 H new ATOM 0 HB2 HIS A 135 71.794 -1.400 -70.093 1.00 0.00 H new ATOM 0 HB3 HIS A 135 71.713 -0.324 -71.474 1.00 0.00 H new ATOM 0 HD2 HIS A 135 72.170 -4.245 -70.982 1.00 0.00 H new ATOM 0 HE1 HIS A 135 70.034 -3.501 -74.571 1.00 0.00 H new ATOM 0 HE2 HIS A 135 70.934 -5.306 -73.016 1.00 0.00 H new ATOM 1312 N GLY A 136 74.142 0.376 -72.945 1.00 0.00 N ATOM 1313 CA GLY A 136 74.594 0.737 -74.276 1.00 0.00 C ATOM 1314 C GLY A 136 73.449 1.121 -75.192 1.00 0.00 C ATOM 1315 O GLY A 136 73.539 0.962 -76.409 1.00 0.00 O ATOM 0 H GLY A 136 73.822 1.158 -72.374 1.00 0.00 H new ATOM 0 HA2 GLY A 136 75.294 1.570 -74.205 1.00 0.00 H new ATOM 0 HA3 GLY A 136 75.138 -0.101 -74.711 1.00 0.00 H new