USER MOD reduce.3.24.130724 H: found=0, std=0, add=379, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 379 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 91 MET CE :methyl 154:sc= -0.134 (180deg=-1.66) USER MOD Set 1.2: A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0297) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 HIS : no HD1:sc= -0.344 K(o=-0.34,f=-1.1!) USER MOD Single : A 100 TYR OH : rot 180:sc= -0.84 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -3.39 K(o=-3.4,f=-4.9!) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot -79:sc= -3.17! USER MOD Single : A 117 SER OG : rot 180:sc= 0.0675 USER MOD Single : A 121 CYS SG : rot 180:sc= -0.464 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 124 CYS SG : rot 81:sc= -0.408 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 GLN : amide:sc= -1.09 K(o=-1.1,f=-3.4!) USER MOD Single : A 131 TYR OH : rot 50:sc= 0.6 USER MOD Single : A 133 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 135 HIS : no HD1:sc= 0 X(o=0,f=-0.069) USER MOD ----------------------------------------------------------------- ATOM 462 N VAL A 82 66.530 8.486 -50.138 1.00 0.00 N ATOM 463 CA VAL A 82 66.431 9.202 -51.404 1.00 0.00 C ATOM 464 C VAL A 82 66.816 8.304 -52.575 1.00 0.00 C ATOM 465 O VAL A 82 67.632 7.394 -52.431 1.00 0.00 O ATOM 466 CB VAL A 82 67.331 10.452 -51.414 1.00 0.00 C ATOM 467 CG1 VAL A 82 67.068 11.290 -52.656 1.00 0.00 C ATOM 468 CG2 VAL A 82 67.115 11.273 -50.151 1.00 0.00 C ATOM 0 HA VAL A 82 65.391 9.511 -51.512 1.00 0.00 H new ATOM 0 HB VAL A 82 68.372 10.129 -51.437 1.00 0.00 H new ATOM 0 HG11 VAL A 82 67.713 12.169 -52.645 1.00 0.00 H new ATOM 0 HG12 VAL A 82 67.277 10.697 -53.546 1.00 0.00 H new ATOM 0 HG13 VAL A 82 66.025 11.606 -52.668 1.00 0.00 H new ATOM 0 HG21 VAL A 82 67.759 12.152 -50.174 1.00 0.00 H new ATOM 0 HG22 VAL A 82 66.073 11.587 -50.095 1.00 0.00 H new ATOM 0 HG23 VAL A 82 67.359 10.668 -49.278 1.00 0.00 H new ATOM 478 N VAL A 83 66.222 8.567 -53.735 1.00 0.00 N ATOM 479 CA VAL A 83 66.503 7.784 -54.932 1.00 0.00 C ATOM 480 C VAL A 83 67.921 8.034 -55.432 1.00 0.00 C ATOM 481 O VAL A 83 68.259 9.144 -55.841 1.00 0.00 O ATOM 482 CB VAL A 83 65.507 8.108 -56.061 1.00 0.00 C ATOM 483 CG1 VAL A 83 65.632 7.096 -57.190 1.00 0.00 C ATOM 484 CG2 VAL A 83 64.085 8.146 -55.523 1.00 0.00 C ATOM 0 H VAL A 83 65.543 9.316 -53.871 1.00 0.00 H new ATOM 0 HA VAL A 83 66.398 6.735 -54.656 1.00 0.00 H new ATOM 0 HB VAL A 83 65.746 9.094 -56.460 1.00 0.00 H new ATOM 0 HG11 VAL A 83 64.921 7.341 -57.979 1.00 0.00 H new ATOM 0 HG12 VAL A 83 66.644 7.124 -57.593 1.00 0.00 H new ATOM 0 HG13 VAL A 83 65.421 6.097 -56.808 1.00 0.00 H new ATOM 0 HG21 VAL A 83 63.395 8.376 -56.335 1.00 0.00 H new ATOM 0 HG22 VAL A 83 63.832 7.176 -55.096 1.00 0.00 H new ATOM 0 HG23 VAL A 83 64.008 8.913 -54.753 1.00 0.00 H new ATOM 494 N GLU A 84 68.748 6.993 -55.397 1.00 0.00 N ATOM 495 CA GLU A 84 70.131 7.101 -55.847 1.00 0.00 C ATOM 496 C GLU A 84 70.272 6.621 -57.289 1.00 0.00 C ATOM 497 O GLU A 84 70.808 7.330 -58.141 1.00 0.00 O ATOM 498 CB GLU A 84 71.052 6.288 -54.935 1.00 0.00 C ATOM 499 CG GLU A 84 72.467 6.835 -54.857 1.00 0.00 C ATOM 500 CD GLU A 84 72.535 8.184 -54.167 1.00 0.00 C ATOM 501 OE1 GLU A 84 71.486 8.652 -53.678 1.00 0.00 O ATOM 502 OE2 GLU A 84 73.636 8.771 -54.117 1.00 0.00 O ATOM 0 H GLU A 84 68.484 6.066 -55.062 1.00 0.00 H new ATOM 0 HA GLU A 84 70.421 8.151 -55.801 1.00 0.00 H new ATOM 0 HB2 GLU A 84 70.626 6.262 -53.932 1.00 0.00 H new ATOM 0 HB3 GLU A 84 71.088 5.259 -55.293 1.00 0.00 H new ATOM 0 HG2 GLU A 84 73.098 6.125 -54.322 1.00 0.00 H new ATOM 0 HG3 GLU A 84 72.873 6.926 -55.864 1.00 0.00 H new ATOM 509 N LYS A 85 69.789 5.413 -57.554 1.00 0.00 N ATOM 510 CA LYS A 85 69.860 4.836 -58.892 1.00 0.00 C ATOM 511 C LYS A 85 68.659 3.936 -59.161 1.00 0.00 C ATOM 512 O LYS A 85 67.832 3.707 -58.278 1.00 0.00 O ATOM 513 CB LYS A 85 71.156 4.039 -59.058 1.00 0.00 C ATOM 514 CG LYS A 85 72.408 4.899 -59.022 1.00 0.00 C ATOM 515 CD LYS A 85 73.011 4.948 -57.629 1.00 0.00 C ATOM 516 CE LYS A 85 74.085 3.886 -57.448 1.00 0.00 C ATOM 517 NZ LYS A 85 75.349 4.251 -58.145 1.00 0.00 N ATOM 0 H LYS A 85 69.343 4.813 -56.860 1.00 0.00 H new ATOM 0 HA LYS A 85 69.848 5.653 -59.614 1.00 0.00 H new ATOM 0 HB2 LYS A 85 71.216 3.291 -58.268 1.00 0.00 H new ATOM 0 HB3 LYS A 85 71.123 3.500 -60.005 1.00 0.00 H new ATOM 0 HG2 LYS A 85 73.142 4.503 -59.724 1.00 0.00 H new ATOM 0 HG3 LYS A 85 72.166 5.910 -59.350 1.00 0.00 H new ATOM 0 HD2 LYS A 85 73.440 5.934 -57.452 1.00 0.00 H new ATOM 0 HD3 LYS A 85 72.226 4.803 -56.887 1.00 0.00 H new ATOM 0 HE2 LYS A 85 74.283 3.748 -56.385 1.00 0.00 H new ATOM 0 HE3 LYS A 85 73.721 2.933 -57.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 76.104 3.594 -57.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 75.207 4.193 -59.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 75.620 5.221 -57.887 1.00 0.00 H new ATOM 531 N VAL A 86 68.569 3.427 -60.385 1.00 0.00 N ATOM 532 CA VAL A 86 67.470 2.549 -60.769 1.00 0.00 C ATOM 533 C VAL A 86 67.844 1.083 -60.577 1.00 0.00 C ATOM 534 O VAL A 86 68.972 0.677 -60.861 1.00 0.00 O ATOM 535 CB VAL A 86 67.058 2.774 -62.236 1.00 0.00 C ATOM 536 CG1 VAL A 86 65.936 1.825 -62.628 1.00 0.00 C ATOM 537 CG2 VAL A 86 66.646 4.221 -62.457 1.00 0.00 C ATOM 0 H VAL A 86 69.244 3.607 -61.128 1.00 0.00 H new ATOM 0 HA VAL A 86 66.628 2.794 -60.121 1.00 0.00 H new ATOM 0 HB VAL A 86 67.917 2.564 -62.873 1.00 0.00 H new ATOM 0 HG11 VAL A 86 65.659 1.999 -63.668 1.00 0.00 H new ATOM 0 HG12 VAL A 86 66.273 0.795 -62.510 1.00 0.00 H new ATOM 0 HG13 VAL A 86 65.071 2.000 -61.988 1.00 0.00 H new ATOM 0 HG21 VAL A 86 66.358 4.362 -63.499 1.00 0.00 H new ATOM 0 HG22 VAL A 86 65.801 4.462 -61.811 1.00 0.00 H new ATOM 0 HG23 VAL A 86 67.483 4.878 -62.220 1.00 0.00 H new ATOM 547 N LEU A 87 66.892 0.294 -60.094 1.00 0.00 N ATOM 548 CA LEU A 87 67.120 -1.129 -59.864 1.00 0.00 C ATOM 549 C LEU A 87 66.777 -1.943 -61.107 1.00 0.00 C ATOM 550 O LEU A 87 67.568 -2.772 -61.558 1.00 0.00 O ATOM 551 CB LEU A 87 66.287 -1.614 -58.677 1.00 0.00 C ATOM 552 CG LEU A 87 66.845 -2.815 -57.912 1.00 0.00 C ATOM 553 CD1 LEU A 87 66.903 -4.040 -58.812 1.00 0.00 C ATOM 554 CD2 LEU A 87 68.223 -2.497 -57.351 1.00 0.00 C ATOM 0 H LEU A 87 65.954 0.615 -59.854 1.00 0.00 H new ATOM 0 HA LEU A 87 68.177 -1.271 -59.640 1.00 0.00 H new ATOM 0 HB2 LEU A 87 66.170 -0.786 -57.978 1.00 0.00 H new ATOM 0 HB3 LEU A 87 65.291 -1.869 -59.038 1.00 0.00 H new ATOM 0 HG LEU A 87 66.177 -3.033 -57.078 1.00 0.00 H new ATOM 0 HD11 LEU A 87 67.302 -4.885 -58.251 1.00 0.00 H new ATOM 0 HD12 LEU A 87 65.900 -4.280 -59.165 1.00 0.00 H new ATOM 0 HD13 LEU A 87 67.548 -3.834 -59.666 1.00 0.00 H new ATOM 0 HD21 LEU A 87 68.604 -3.363 -56.810 1.00 0.00 H new ATOM 0 HD22 LEU A 87 68.901 -2.253 -58.169 1.00 0.00 H new ATOM 0 HD23 LEU A 87 68.152 -1.647 -56.672 1.00 0.00 H new ATOM 566 N LYS A 88 65.593 -1.700 -61.659 1.00 0.00 N ATOM 567 CA LYS A 88 65.145 -2.408 -62.853 1.00 0.00 C ATOM 568 C LYS A 88 64.107 -1.588 -63.614 1.00 0.00 C ATOM 569 O LYS A 88 63.551 -0.626 -63.084 1.00 0.00 O ATOM 570 CB LYS A 88 64.557 -3.769 -62.473 1.00 0.00 C ATOM 571 CG LYS A 88 65.553 -4.911 -62.575 1.00 0.00 C ATOM 572 CD LYS A 88 66.034 -5.105 -64.004 1.00 0.00 C ATOM 573 CE LYS A 88 66.844 -6.385 -64.150 1.00 0.00 C ATOM 574 NZ LYS A 88 67.246 -6.628 -65.563 1.00 0.00 N ATOM 0 H LYS A 88 64.926 -1.018 -61.298 1.00 0.00 H new ATOM 0 HA LYS A 88 66.008 -2.560 -63.501 1.00 0.00 H new ATOM 0 HB2 LYS A 88 64.177 -3.719 -61.453 1.00 0.00 H new ATOM 0 HB3 LYS A 88 63.706 -3.981 -63.120 1.00 0.00 H new ATOM 0 HG2 LYS A 88 66.406 -4.710 -61.927 1.00 0.00 H new ATOM 0 HG3 LYS A 88 65.091 -5.831 -62.217 1.00 0.00 H new ATOM 0 HD2 LYS A 88 65.177 -5.137 -64.677 1.00 0.00 H new ATOM 0 HD3 LYS A 88 66.643 -4.252 -64.303 1.00 0.00 H new ATOM 0 HE2 LYS A 88 67.734 -6.325 -63.524 1.00 0.00 H new ATOM 0 HE3 LYS A 88 66.257 -7.230 -63.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 67.796 -7.509 -65.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 66.396 -6.711 -66.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 67.827 -5.834 -65.900 1.00 0.00 H new ATOM 588 N HIS A 89 63.849 -1.977 -64.858 1.00 0.00 N ATOM 589 CA HIS A 89 62.876 -1.279 -65.691 1.00 0.00 C ATOM 590 C HIS A 89 61.721 -2.203 -66.067 1.00 0.00 C ATOM 591 O HIS A 89 61.907 -3.408 -66.234 1.00 0.00 O ATOM 592 CB HIS A 89 63.548 -0.743 -66.956 1.00 0.00 C ATOM 593 CG HIS A 89 63.587 -1.733 -68.079 1.00 0.00 C ATOM 594 ND1 HIS A 89 62.525 -1.948 -68.931 1.00 0.00 N ATOM 595 CD2 HIS A 89 64.571 -2.567 -68.489 1.00 0.00 C ATOM 596 CE1 HIS A 89 62.852 -2.873 -69.815 1.00 0.00 C ATOM 597 NE2 HIS A 89 64.089 -3.265 -69.569 1.00 0.00 N ATOM 0 H HIS A 89 64.300 -2.772 -65.312 1.00 0.00 H new ATOM 0 HA HIS A 89 62.477 -0.442 -65.118 1.00 0.00 H new ATOM 0 HB2 HIS A 89 63.019 0.150 -67.288 1.00 0.00 H new ATOM 0 HB3 HIS A 89 64.567 -0.439 -66.715 1.00 0.00 H new ATOM 0 HD2 HIS A 89 65.552 -2.665 -68.049 1.00 0.00 H new ATOM 0 HE1 HIS A 89 62.216 -3.245 -70.605 1.00 0.00 H new ATOM 0 HE2 HIS A 89 64.603 -3.971 -70.096 1.00 0.00 H new ATOM 605 N ARG A 90 60.530 -1.629 -66.197 1.00 0.00 N ATOM 606 CA ARG A 90 59.344 -2.401 -66.550 1.00 0.00 C ATOM 607 C ARG A 90 58.404 -1.581 -67.429 1.00 0.00 C ATOM 608 O ARG A 90 58.589 -0.376 -67.598 1.00 0.00 O ATOM 609 CB ARG A 90 58.612 -2.857 -65.287 1.00 0.00 C ATOM 610 CG ARG A 90 58.820 -4.327 -64.960 1.00 0.00 C ATOM 611 CD ARG A 90 58.200 -5.227 -66.018 1.00 0.00 C ATOM 612 NE ARG A 90 56.827 -5.595 -65.686 1.00 0.00 N ATOM 613 CZ ARG A 90 56.505 -6.404 -64.682 1.00 0.00 C ATOM 614 NH1 ARG A 90 57.454 -6.925 -63.916 1.00 0.00 N ATOM 615 NH2 ARG A 90 55.232 -6.693 -64.442 1.00 0.00 N ATOM 0 H ARG A 90 60.360 -0.632 -66.063 1.00 0.00 H new ATOM 0 HA ARG A 90 59.665 -3.278 -67.111 1.00 0.00 H new ATOM 0 HB2 ARG A 90 58.950 -2.255 -64.444 1.00 0.00 H new ATOM 0 HB3 ARG A 90 57.545 -2.668 -65.407 1.00 0.00 H new ATOM 0 HG2 ARG A 90 59.887 -4.536 -64.883 1.00 0.00 H new ATOM 0 HG3 ARG A 90 58.380 -4.550 -63.988 1.00 0.00 H new ATOM 0 HD2 ARG A 90 58.216 -4.718 -66.982 1.00 0.00 H new ATOM 0 HD3 ARG A 90 58.802 -6.130 -66.124 1.00 0.00 H new ATOM 0 HE ARG A 90 56.074 -5.210 -66.256 1.00 0.00 H new ATOM 0 HH11 ARG A 90 58.433 -6.705 -64.097 1.00 0.00 H new ATOM 0 HH12 ARG A 90 57.204 -7.546 -63.146 1.00 0.00 H new ATOM 0 HH21 ARG A 90 54.499 -6.294 -65.029 1.00 0.00 H new ATOM 0 HH22 ARG A 90 54.987 -7.314 -63.671 1.00 0.00 H new ATOM 629 N MET A 91 57.395 -2.243 -67.985 1.00 0.00 N ATOM 630 CA MET A 91 56.425 -1.575 -68.846 1.00 0.00 C ATOM 631 C MET A 91 55.025 -1.644 -68.243 1.00 0.00 C ATOM 632 O MET A 91 54.690 -2.593 -67.535 1.00 0.00 O ATOM 633 CB MET A 91 56.425 -2.209 -70.238 1.00 0.00 C ATOM 634 CG MET A 91 55.381 -1.621 -71.173 1.00 0.00 C ATOM 635 SD MET A 91 55.797 -1.853 -72.912 1.00 0.00 S ATOM 636 CE MET A 91 55.404 -0.235 -73.573 1.00 0.00 C ATOM 0 H MET A 91 57.227 -3.241 -67.855 1.00 0.00 H new ATOM 0 HA MET A 91 56.713 -0.527 -68.932 1.00 0.00 H new ATOM 0 HB2 MET A 91 57.412 -2.086 -70.685 1.00 0.00 H new ATOM 0 HB3 MET A 91 56.251 -3.281 -70.140 1.00 0.00 H new ATOM 0 HG2 MET A 91 54.415 -2.083 -70.970 1.00 0.00 H new ATOM 0 HG3 MET A 91 55.274 -0.556 -70.968 1.00 0.00 H new ATOM 0 HE1 MET A 91 56.001 -0.052 -74.466 1.00 0.00 H new ATOM 0 HE2 MET A 91 54.345 -0.194 -73.830 1.00 0.00 H new ATOM 0 HE3 MET A 91 55.626 0.527 -72.826 1.00 0.00 H new ATOM 646 N ALA A 92 54.213 -0.631 -68.528 1.00 0.00 N ATOM 647 CA ALA A 92 52.850 -0.578 -68.015 1.00 0.00 C ATOM 648 C ALA A 92 51.966 -1.618 -68.695 1.00 0.00 C ATOM 649 O ALA A 92 51.976 -1.750 -69.919 1.00 0.00 O ATOM 650 CB ALA A 92 52.269 0.815 -68.204 1.00 0.00 C ATOM 0 H ALA A 92 54.476 0.164 -69.111 1.00 0.00 H new ATOM 0 HA ALA A 92 52.880 -0.806 -66.950 1.00 0.00 H new ATOM 0 HB1 ALA A 92 51.251 0.840 -67.816 1.00 0.00 H new ATOM 0 HB2 ALA A 92 52.880 1.540 -67.666 1.00 0.00 H new ATOM 0 HB3 ALA A 92 52.260 1.064 -69.265 1.00 0.00 H new ATOM 716 N GLY A 97 52.946 3.970 -69.796 1.00 0.00 N ATOM 717 CA GLY A 97 54.323 4.383 -69.997 1.00 0.00 C ATOM 718 C GLY A 97 55.315 3.308 -69.598 1.00 0.00 C ATOM 719 O GLY A 97 55.264 2.188 -70.105 1.00 0.00 O ATOM 0 HA2 GLY A 97 54.473 4.640 -71.046 1.00 0.00 H new ATOM 0 HA3 GLY A 97 54.517 5.285 -69.417 1.00 0.00 H new ATOM 723 N TYR A 98 56.221 3.650 -68.689 1.00 0.00 N ATOM 724 CA TYR A 98 57.232 2.707 -68.226 1.00 0.00 C ATOM 725 C TYR A 98 57.469 2.856 -66.726 1.00 0.00 C ATOM 726 O TYR A 98 57.402 3.959 -66.183 1.00 0.00 O ATOM 727 CB TYR A 98 58.543 2.919 -68.985 1.00 0.00 C ATOM 728 CG TYR A 98 58.514 2.393 -70.402 1.00 0.00 C ATOM 729 CD1 TYR A 98 58.394 1.032 -70.655 1.00 0.00 C ATOM 730 CD2 TYR A 98 58.609 3.255 -71.487 1.00 0.00 C ATOM 731 CE1 TYR A 98 58.368 0.546 -71.948 1.00 0.00 C ATOM 732 CE2 TYR A 98 58.582 2.778 -72.783 1.00 0.00 C ATOM 733 CZ TYR A 98 58.462 1.423 -73.009 1.00 0.00 C ATOM 734 OH TYR A 98 58.437 0.944 -74.298 1.00 0.00 O ATOM 0 H TYR A 98 56.276 4.573 -68.258 1.00 0.00 H new ATOM 0 HA TYR A 98 56.868 1.698 -68.419 1.00 0.00 H new ATOM 0 HB2 TYR A 98 58.772 3.984 -69.006 1.00 0.00 H new ATOM 0 HB3 TYR A 98 59.351 2.430 -68.441 1.00 0.00 H new ATOM 0 HD1 TYR A 98 58.320 0.343 -69.827 1.00 0.00 H new ATOM 0 HD2 TYR A 98 58.706 4.317 -71.314 1.00 0.00 H new ATOM 0 HE1 TYR A 98 58.275 -0.515 -72.127 1.00 0.00 H new ATOM 0 HE2 TYR A 98 58.654 3.463 -73.615 1.00 0.00 H new ATOM 0 HH TYR A 98 58.512 1.692 -74.927 1.00 0.00 H new ATOM 744 N GLU A 99 57.748 1.738 -66.064 1.00 0.00 N ATOM 745 CA GLU A 99 57.996 1.744 -64.626 1.00 0.00 C ATOM 746 C GLU A 99 59.474 1.511 -64.328 1.00 0.00 C ATOM 747 O GLU A 99 60.181 0.868 -65.104 1.00 0.00 O ATOM 748 CB GLU A 99 57.150 0.672 -63.937 1.00 0.00 C ATOM 749 CG GLU A 99 55.703 0.647 -64.399 1.00 0.00 C ATOM 750 CD GLU A 99 54.950 1.910 -64.028 1.00 0.00 C ATOM 751 OE1 GLU A 99 54.901 2.238 -62.824 1.00 0.00 O ATOM 752 OE2 GLU A 99 54.410 2.569 -64.940 1.00 0.00 O ATOM 0 H GLU A 99 57.808 0.817 -66.499 1.00 0.00 H new ATOM 0 HA GLU A 99 57.715 2.723 -64.238 1.00 0.00 H new ATOM 0 HB2 GLU A 99 57.598 -0.305 -64.120 1.00 0.00 H new ATOM 0 HB3 GLU A 99 57.176 0.838 -62.860 1.00 0.00 H new ATOM 0 HG2 GLU A 99 55.673 0.515 -65.481 1.00 0.00 H new ATOM 0 HG3 GLU A 99 55.200 -0.214 -63.959 1.00 0.00 H new ATOM 759 N TYR A 100 59.934 2.040 -63.200 1.00 0.00 N ATOM 760 CA TYR A 100 61.328 1.893 -62.799 1.00 0.00 C ATOM 761 C TYR A 100 61.450 1.782 -61.282 1.00 0.00 C ATOM 762 O TYR A 100 60.818 2.534 -60.540 1.00 0.00 O ATOM 763 CB TYR A 100 62.153 3.079 -63.303 1.00 0.00 C ATOM 764 CG TYR A 100 61.833 3.477 -64.726 1.00 0.00 C ATOM 765 CD1 TYR A 100 60.827 4.395 -65.002 1.00 0.00 C ATOM 766 CD2 TYR A 100 62.537 2.935 -65.795 1.00 0.00 C ATOM 767 CE1 TYR A 100 60.532 4.762 -66.301 1.00 0.00 C ATOM 768 CE2 TYR A 100 62.249 3.297 -67.096 1.00 0.00 C ATOM 769 CZ TYR A 100 61.245 4.210 -67.344 1.00 0.00 C ATOM 770 OH TYR A 100 60.954 4.572 -68.640 1.00 0.00 O ATOM 0 H TYR A 100 59.362 2.575 -62.547 1.00 0.00 H new ATOM 0 HA TYR A 100 61.713 0.976 -63.244 1.00 0.00 H new ATOM 0 HB2 TYR A 100 61.983 3.934 -62.648 1.00 0.00 H new ATOM 0 HB3 TYR A 100 63.212 2.830 -63.233 1.00 0.00 H new ATOM 0 HD1 TYR A 100 60.266 4.829 -64.187 1.00 0.00 H new ATOM 0 HD2 TYR A 100 63.323 2.219 -65.605 1.00 0.00 H new ATOM 0 HE1 TYR A 100 59.747 5.477 -66.498 1.00 0.00 H new ATOM 0 HE2 TYR A 100 62.807 2.868 -67.915 1.00 0.00 H new ATOM 0 HH TYR A 100 61.548 4.093 -69.255 1.00 0.00 H new ATOM 780 N LEU A 101 62.269 0.839 -60.829 1.00 0.00 N ATOM 781 CA LEU A 101 62.477 0.628 -59.401 1.00 0.00 C ATOM 782 C LEU A 101 63.491 1.623 -58.845 1.00 0.00 C ATOM 783 O LEU A 101 64.487 1.940 -59.497 1.00 0.00 O ATOM 784 CB LEU A 101 62.953 -0.802 -59.140 1.00 0.00 C ATOM 785 CG LEU A 101 61.858 -1.864 -59.027 1.00 0.00 C ATOM 786 CD1 LEU A 101 62.283 -3.145 -59.727 1.00 0.00 C ATOM 787 CD2 LEU A 101 61.528 -2.136 -57.567 1.00 0.00 C ATOM 0 H LEU A 101 62.800 0.209 -61.430 1.00 0.00 H new ATOM 0 HA LEU A 101 61.525 0.786 -58.894 1.00 0.00 H new ATOM 0 HB2 LEU A 101 63.630 -1.091 -59.944 1.00 0.00 H new ATOM 0 HB3 LEU A 101 63.533 -0.808 -58.217 1.00 0.00 H new ATOM 0 HG LEU A 101 60.961 -1.487 -59.517 1.00 0.00 H new ATOM 0 HD11 LEU A 101 61.492 -3.889 -59.636 1.00 0.00 H new ATOM 0 HD12 LEU A 101 62.468 -2.939 -60.781 1.00 0.00 H new ATOM 0 HD13 LEU A 101 63.194 -3.526 -59.266 1.00 0.00 H new ATOM 0 HD21 LEU A 101 60.747 -2.894 -57.506 1.00 0.00 H new ATOM 0 HD22 LEU A 101 62.421 -2.492 -57.052 1.00 0.00 H new ATOM 0 HD23 LEU A 101 61.180 -1.217 -57.095 1.00 0.00 H new ATOM 799 N LEU A 102 63.232 2.111 -57.637 1.00 0.00 N ATOM 800 CA LEU A 102 64.124 3.068 -56.992 1.00 0.00 C ATOM 801 C LEU A 102 65.125 2.356 -56.088 1.00 0.00 C ATOM 802 O LEU A 102 64.757 1.484 -55.301 1.00 0.00 O ATOM 803 CB LEU A 102 63.315 4.080 -56.178 1.00 0.00 C ATOM 804 CG LEU A 102 62.096 4.682 -56.877 1.00 0.00 C ATOM 805 CD1 LEU A 102 61.205 5.399 -55.875 1.00 0.00 C ATOM 806 CD2 LEU A 102 62.531 5.634 -57.983 1.00 0.00 C ATOM 0 H LEU A 102 62.412 1.860 -57.085 1.00 0.00 H new ATOM 0 HA LEU A 102 64.676 3.594 -57.771 1.00 0.00 H new ATOM 0 HB2 LEU A 102 62.980 3.594 -55.261 1.00 0.00 H new ATOM 0 HB3 LEU A 102 63.979 4.893 -55.884 1.00 0.00 H new ATOM 0 HG LEU A 102 61.523 3.871 -57.327 1.00 0.00 H new ATOM 0 HD11 LEU A 102 60.343 5.821 -56.391 1.00 0.00 H new ATOM 0 HD12 LEU A 102 60.865 4.691 -55.119 1.00 0.00 H new ATOM 0 HD13 LEU A 102 61.768 6.200 -55.395 1.00 0.00 H new ATOM 0 HD21 LEU A 102 61.650 6.053 -58.470 1.00 0.00 H new ATOM 0 HD22 LEU A 102 63.127 6.440 -57.556 1.00 0.00 H new ATOM 0 HD23 LEU A 102 63.127 5.091 -58.717 1.00 0.00 H new ATOM 818 N LYS A 103 66.393 2.735 -56.205 1.00 0.00 N ATOM 819 CA LYS A 103 67.449 2.136 -55.397 1.00 0.00 C ATOM 820 C LYS A 103 67.886 3.084 -54.284 1.00 0.00 C ATOM 821 O LYS A 103 68.366 4.186 -54.548 1.00 0.00 O ATOM 822 CB LYS A 103 68.649 1.775 -56.275 1.00 0.00 C ATOM 823 CG LYS A 103 69.727 0.997 -55.541 1.00 0.00 C ATOM 824 CD LYS A 103 70.901 0.676 -56.451 1.00 0.00 C ATOM 825 CE LYS A 103 71.880 -0.277 -55.784 1.00 0.00 C ATOM 826 NZ LYS A 103 73.206 -0.275 -56.462 1.00 0.00 N ATOM 0 H LYS A 103 66.715 3.455 -56.852 1.00 0.00 H new ATOM 0 HA LYS A 103 67.054 1.228 -54.942 1.00 0.00 H new ATOM 0 HB2 LYS A 103 68.303 1.187 -57.125 1.00 0.00 H new ATOM 0 HB3 LYS A 103 69.083 2.691 -56.677 1.00 0.00 H new ATOM 0 HG2 LYS A 103 70.076 1.576 -54.686 1.00 0.00 H new ATOM 0 HG3 LYS A 103 69.306 0.071 -55.149 1.00 0.00 H new ATOM 0 HD2 LYS A 103 70.534 0.233 -57.377 1.00 0.00 H new ATOM 0 HD3 LYS A 103 71.416 1.598 -56.721 1.00 0.00 H new ATOM 0 HE2 LYS A 103 72.006 0.005 -54.739 1.00 0.00 H new ATOM 0 HE3 LYS A 103 71.468 -1.286 -55.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 73.845 -0.937 -55.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 73.090 -0.569 -57.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 73.611 0.682 -56.430 1.00 0.00 H new ATOM 840 N TRP A 104 67.719 2.647 -53.042 1.00 0.00 N ATOM 841 CA TRP A 104 68.099 3.456 -51.889 1.00 0.00 C ATOM 842 C TRP A 104 69.615 3.506 -51.734 1.00 0.00 C ATOM 843 O TRP A 104 70.285 2.475 -51.774 1.00 0.00 O ATOM 844 CB TRP A 104 67.462 2.898 -50.616 1.00 0.00 C ATOM 845 CG TRP A 104 65.967 2.818 -50.685 1.00 0.00 C ATOM 846 CD1 TRP A 104 65.205 1.684 -50.678 1.00 0.00 C ATOM 847 CD2 TRP A 104 65.053 3.916 -50.775 1.00 0.00 C ATOM 848 NE1 TRP A 104 63.873 2.011 -50.758 1.00 0.00 N ATOM 849 CE2 TRP A 104 63.753 3.374 -50.817 1.00 0.00 C ATOM 850 CE3 TRP A 104 65.205 5.304 -50.821 1.00 0.00 C ATOM 851 CZ2 TRP A 104 62.616 4.174 -50.905 1.00 0.00 C ATOM 852 CZ3 TRP A 104 64.076 6.096 -50.909 1.00 0.00 C ATOM 853 CH2 TRP A 104 62.795 5.529 -50.949 1.00 0.00 C ATOM 0 H TRP A 104 67.323 1.737 -52.807 1.00 0.00 H new ATOM 0 HA TRP A 104 67.736 4.471 -52.054 1.00 0.00 H new ATOM 0 HB2 TRP A 104 67.863 1.903 -50.424 1.00 0.00 H new ATOM 0 HB3 TRP A 104 67.746 3.525 -49.771 1.00 0.00 H new ATOM 0 HD1 TRP A 104 65.593 0.678 -50.618 1.00 0.00 H new ATOM 0 HE1 TRP A 104 63.099 1.347 -50.771 1.00 0.00 H new ATOM 0 HE3 TRP A 104 66.188 5.750 -50.788 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 61.628 3.739 -50.937 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 64.183 7.170 -50.948 1.00 0.00 H new ATOM 0 HH2 TRP A 104 61.932 6.175 -51.016 1.00 0.00 H new ATOM 864 N GLU A 105 70.148 4.711 -51.557 1.00 0.00 N ATOM 865 CA GLU A 105 71.586 4.893 -51.397 1.00 0.00 C ATOM 866 C GLU A 105 72.090 4.170 -50.151 1.00 0.00 C ATOM 867 O GLU A 105 71.618 4.418 -49.043 1.00 0.00 O ATOM 868 CB GLU A 105 71.927 6.382 -51.310 1.00 0.00 C ATOM 869 CG GLU A 105 73.400 6.655 -51.055 1.00 0.00 C ATOM 870 CD GLU A 105 74.297 6.057 -52.121 1.00 0.00 C ATOM 871 OE1 GLU A 105 74.417 4.814 -52.166 1.00 0.00 O ATOM 872 OE2 GLU A 105 74.878 6.830 -52.911 1.00 0.00 O ATOM 0 H GLU A 105 69.606 5.575 -51.521 1.00 0.00 H new ATOM 0 HA GLU A 105 72.081 4.465 -52.269 1.00 0.00 H new ATOM 0 HB2 GLU A 105 71.631 6.869 -52.239 1.00 0.00 H new ATOM 0 HB3 GLU A 105 71.339 6.835 -50.512 1.00 0.00 H new ATOM 0 HG2 GLU A 105 73.564 7.732 -51.010 1.00 0.00 H new ATOM 0 HG3 GLU A 105 73.678 6.249 -50.082 1.00 0.00 H new ATOM 879 N GLY A 106 73.054 3.274 -50.343 1.00 0.00 N ATOM 880 CA GLY A 106 73.606 2.529 -49.228 1.00 0.00 C ATOM 881 C GLY A 106 72.895 1.209 -49.003 1.00 0.00 C ATOM 882 O GLY A 106 73.509 0.228 -48.583 1.00 0.00 O ATOM 0 H GLY A 106 73.462 3.051 -51.251 1.00 0.00 H new ATOM 0 HA2 GLY A 106 74.664 2.342 -49.409 1.00 0.00 H new ATOM 0 HA3 GLY A 106 73.539 3.133 -48.323 1.00 0.00 H new ATOM 886 N TYR A 107 71.596 1.184 -49.283 1.00 0.00 N ATOM 887 CA TYR A 107 70.800 -0.024 -49.105 1.00 0.00 C ATOM 888 C TYR A 107 70.517 -0.692 -50.447 1.00 0.00 C ATOM 889 O TYR A 107 69.979 -0.069 -51.362 1.00 0.00 O ATOM 890 CB TYR A 107 69.483 0.307 -48.400 1.00 0.00 C ATOM 891 CG TYR A 107 69.668 0.970 -47.054 1.00 0.00 C ATOM 892 CD1 TYR A 107 70.262 0.290 -45.998 1.00 0.00 C ATOM 893 CD2 TYR A 107 69.248 2.277 -46.837 1.00 0.00 C ATOM 894 CE1 TYR A 107 70.432 0.892 -44.766 1.00 0.00 C ATOM 895 CE2 TYR A 107 69.415 2.887 -45.609 1.00 0.00 C ATOM 896 CZ TYR A 107 70.007 2.190 -44.577 1.00 0.00 C ATOM 897 OH TYR A 107 70.175 2.793 -43.351 1.00 0.00 O ATOM 0 H TYR A 107 71.073 1.986 -49.634 1.00 0.00 H new ATOM 0 HA TYR A 107 71.371 -0.717 -48.487 1.00 0.00 H new ATOM 0 HB2 TYR A 107 68.892 0.962 -49.040 1.00 0.00 H new ATOM 0 HB3 TYR A 107 68.910 -0.611 -48.268 1.00 0.00 H new ATOM 0 HD1 TYR A 107 70.597 -0.727 -46.143 1.00 0.00 H new ATOM 0 HD2 TYR A 107 68.783 2.825 -47.643 1.00 0.00 H new ATOM 0 HE1 TYR A 107 70.895 0.349 -43.956 1.00 0.00 H new ATOM 0 HE2 TYR A 107 69.084 3.904 -45.458 1.00 0.00 H new ATOM 0 HH TYR A 107 69.823 3.707 -43.385 1.00 0.00 H new ATOM 907 N ASP A 108 70.882 -1.965 -50.555 1.00 0.00 N ATOM 908 CA ASP A 108 70.667 -2.720 -51.784 1.00 0.00 C ATOM 909 C ASP A 108 69.537 -3.731 -51.610 1.00 0.00 C ATOM 910 O ASP A 108 69.749 -4.832 -51.101 1.00 0.00 O ATOM 911 CB ASP A 108 71.952 -3.440 -52.198 1.00 0.00 C ATOM 912 CG ASP A 108 72.529 -4.283 -51.078 1.00 0.00 C ATOM 913 OD1 ASP A 108 73.122 -3.703 -50.144 1.00 0.00 O ATOM 914 OD2 ASP A 108 72.387 -5.522 -51.135 1.00 0.00 O ATOM 0 H ASP A 108 71.328 -2.495 -49.807 1.00 0.00 H new ATOM 0 HA ASP A 108 70.385 -2.017 -52.568 1.00 0.00 H new ATOM 0 HB2 ASP A 108 71.747 -4.076 -53.059 1.00 0.00 H new ATOM 0 HB3 ASP A 108 72.692 -2.704 -52.513 1.00 0.00 H new ATOM 919 N ASP A 109 68.338 -3.348 -52.034 1.00 0.00 N ATOM 920 CA ASP A 109 67.174 -4.220 -51.925 1.00 0.00 C ATOM 921 C ASP A 109 67.049 -5.115 -53.155 1.00 0.00 C ATOM 922 O ASP A 109 67.581 -4.820 -54.225 1.00 0.00 O ATOM 923 CB ASP A 109 65.902 -3.390 -51.752 1.00 0.00 C ATOM 924 CG ASP A 109 65.407 -3.381 -50.319 1.00 0.00 C ATOM 925 OD1 ASP A 109 66.055 -2.731 -49.472 1.00 0.00 O ATOM 926 OD2 ASP A 109 64.372 -4.024 -50.044 1.00 0.00 O ATOM 0 H ASP A 109 68.146 -2.440 -52.456 1.00 0.00 H new ATOM 0 HA ASP A 109 67.306 -4.854 -51.048 1.00 0.00 H new ATOM 0 HB2 ASP A 109 66.093 -2.366 -52.074 1.00 0.00 H new ATOM 0 HB3 ASP A 109 65.121 -3.787 -52.401 1.00 0.00 H new ATOM 931 N PRO A 110 66.330 -6.237 -53.000 1.00 0.00 N ATOM 932 CA PRO A 110 66.118 -7.198 -54.086 1.00 0.00 C ATOM 933 C PRO A 110 65.207 -6.648 -55.178 1.00 0.00 C ATOM 934 O PRO A 110 64.955 -5.444 -55.241 1.00 0.00 O ATOM 935 CB PRO A 110 65.455 -8.386 -53.384 1.00 0.00 C ATOM 936 CG PRO A 110 64.794 -7.798 -52.186 1.00 0.00 C ATOM 937 CD PRO A 110 65.667 -6.653 -51.752 1.00 0.00 C ATOM 0 HA PRO A 110 67.049 -7.451 -54.594 1.00 0.00 H new ATOM 0 HB2 PRO A 110 64.731 -8.876 -54.035 1.00 0.00 H new ATOM 0 HB3 PRO A 110 66.190 -9.139 -53.101 1.00 0.00 H new ATOM 0 HG2 PRO A 110 63.788 -7.453 -52.425 1.00 0.00 H new ATOM 0 HG3 PRO A 110 64.697 -8.538 -51.391 1.00 0.00 H new ATOM 0 HD2 PRO A 110 65.081 -5.842 -51.319 1.00 0.00 H new ATOM 0 HD3 PRO A 110 66.390 -6.962 -50.997 1.00 0.00 H new ATOM 945 N SER A 111 64.715 -7.536 -56.035 1.00 0.00 N ATOM 946 CA SER A 111 63.833 -7.138 -57.126 1.00 0.00 C ATOM 947 C SER A 111 62.466 -6.720 -56.595 1.00 0.00 C ATOM 948 O SER A 111 61.621 -6.226 -57.343 1.00 0.00 O ATOM 949 CB SER A 111 63.675 -8.285 -58.127 1.00 0.00 C ATOM 950 OG SER A 111 64.731 -8.286 -59.072 1.00 0.00 O ATOM 0 H SER A 111 64.912 -8.536 -55.995 1.00 0.00 H new ATOM 0 HA SER A 111 64.284 -6.284 -57.631 1.00 0.00 H new ATOM 0 HB2 SER A 111 63.658 -9.236 -57.595 1.00 0.00 H new ATOM 0 HB3 SER A 111 62.720 -8.192 -58.644 1.00 0.00 H new ATOM 0 HG SER A 111 64.608 -9.029 -59.699 1.00 0.00 H new ATOM 956 N ASP A 112 62.254 -6.921 -55.299 1.00 0.00 N ATOM 957 CA ASP A 112 60.990 -6.565 -54.666 1.00 0.00 C ATOM 958 C ASP A 112 61.023 -5.126 -54.160 1.00 0.00 C ATOM 959 O ASP A 112 60.190 -4.724 -53.349 1.00 0.00 O ATOM 960 CB ASP A 112 60.687 -7.519 -53.509 1.00 0.00 C ATOM 961 CG ASP A 112 61.041 -8.956 -53.837 1.00 0.00 C ATOM 962 OD1 ASP A 112 60.384 -9.542 -54.723 1.00 0.00 O ATOM 963 OD2 ASP A 112 61.975 -9.495 -53.208 1.00 0.00 O ATOM 0 H ASP A 112 62.942 -7.329 -54.666 1.00 0.00 H new ATOM 0 HA ASP A 112 60.201 -6.651 -55.413 1.00 0.00 H new ATOM 0 HB2 ASP A 112 61.243 -7.203 -52.626 1.00 0.00 H new ATOM 0 HB3 ASP A 112 59.628 -7.457 -53.258 1.00 0.00 H new ATOM 968 N ASN A 113 61.992 -4.356 -54.644 1.00 0.00 N ATOM 969 CA ASN A 113 62.134 -2.962 -54.239 1.00 0.00 C ATOM 970 C ASN A 113 60.871 -2.170 -54.561 1.00 0.00 C ATOM 971 O ASN A 113 59.843 -2.741 -54.927 1.00 0.00 O ATOM 972 CB ASN A 113 63.339 -2.327 -54.936 1.00 0.00 C ATOM 973 CG ASN A 113 64.371 -1.811 -53.952 1.00 0.00 C ATOM 974 OD1 ASN A 113 64.041 -1.445 -52.824 1.00 0.00 O ATOM 975 ND2 ASN A 113 65.629 -1.781 -54.376 1.00 0.00 N ATOM 0 H ASN A 113 62.690 -4.673 -55.317 1.00 0.00 H new ATOM 0 HA ASN A 113 62.291 -2.938 -53.161 1.00 0.00 H new ATOM 0 HB2 ASN A 113 63.804 -3.062 -55.594 1.00 0.00 H new ATOM 0 HB3 ASN A 113 62.999 -1.505 -55.566 1.00 0.00 H new ATOM 0 HD21 ASN A 113 66.368 -1.445 -53.758 1.00 0.00 H new ATOM 0 HD22 ASN A 113 65.857 -2.094 -55.320 1.00 0.00 H new ATOM 982 N THR A 114 60.954 -0.850 -54.422 1.00 0.00 N ATOM 983 CA THR A 114 59.819 0.021 -54.698 1.00 0.00 C ATOM 984 C THR A 114 59.748 0.380 -56.177 1.00 0.00 C ATOM 985 O THR A 114 60.724 0.856 -56.757 1.00 0.00 O ATOM 986 CB THR A 114 59.891 1.317 -53.869 1.00 0.00 C ATOM 987 OG1 THR A 114 58.757 2.144 -54.154 1.00 0.00 O ATOM 988 CG2 THR A 114 61.171 2.081 -54.169 1.00 0.00 C ATOM 0 H THR A 114 61.797 -0.361 -54.120 1.00 0.00 H new ATOM 0 HA THR A 114 58.922 -0.531 -54.418 1.00 0.00 H new ATOM 0 HB THR A 114 59.887 1.048 -52.813 1.00 0.00 H new ATOM 0 HG1 THR A 114 58.809 2.965 -53.622 1.00 0.00 H new ATOM 0 HG21 THR A 114 61.199 2.992 -53.572 1.00 0.00 H new ATOM 0 HG22 THR A 114 62.032 1.459 -53.923 1.00 0.00 H new ATOM 0 HG23 THR A 114 61.201 2.340 -55.227 1.00 0.00 H new ATOM 996 N TRP A 115 58.588 0.151 -56.782 1.00 0.00 N ATOM 997 CA TRP A 115 58.390 0.452 -58.195 1.00 0.00 C ATOM 998 C TRP A 115 57.794 1.843 -58.377 1.00 0.00 C ATOM 999 O TRP A 115 56.655 2.097 -57.985 1.00 0.00 O ATOM 1000 CB TRP A 115 57.479 -0.595 -58.838 1.00 0.00 C ATOM 1001 CG TRP A 115 57.979 -1.998 -58.675 1.00 0.00 C ATOM 1002 CD1 TRP A 115 57.920 -2.764 -57.546 1.00 0.00 C ATOM 1003 CD2 TRP A 115 58.615 -2.803 -59.674 1.00 0.00 C ATOM 1004 NE1 TRP A 115 58.482 -3.995 -57.782 1.00 0.00 N ATOM 1005 CE2 TRP A 115 58.915 -4.044 -59.081 1.00 0.00 C ATOM 1006 CE3 TRP A 115 58.959 -2.596 -61.013 1.00 0.00 C ATOM 1007 CZ2 TRP A 115 59.543 -5.071 -59.781 1.00 0.00 C ATOM 1008 CZ3 TRP A 115 59.583 -3.616 -61.706 1.00 0.00 C ATOM 1009 CH2 TRP A 115 59.869 -4.841 -61.090 1.00 0.00 C ATOM 0 H TRP A 115 57.770 -0.242 -56.316 1.00 0.00 H new ATOM 0 HA TRP A 115 59.363 0.427 -58.686 1.00 0.00 H new ATOM 0 HB2 TRP A 115 56.484 -0.518 -58.400 1.00 0.00 H new ATOM 0 HB3 TRP A 115 57.377 -0.374 -59.901 1.00 0.00 H new ATOM 0 HD1 TRP A 115 57.494 -2.448 -56.605 1.00 0.00 H new ATOM 0 HE1 TRP A 115 58.564 -4.750 -57.101 1.00 0.00 H new ATOM 0 HE3 TRP A 115 58.741 -1.656 -61.497 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 59.765 -6.016 -59.307 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 59.855 -3.466 -62.740 1.00 0.00 H new ATOM 0 HH2 TRP A 115 60.356 -5.619 -61.659 1.00 0.00 H new ATOM 1020 N SER A 116 58.570 2.741 -58.975 1.00 0.00 N ATOM 1021 CA SER A 116 58.119 4.109 -59.205 1.00 0.00 C ATOM 1022 C SER A 116 57.642 4.288 -60.643 1.00 0.00 C ATOM 1023 O SER A 116 58.204 3.709 -61.572 1.00 0.00 O ATOM 1024 CB SER A 116 59.247 5.098 -58.903 1.00 0.00 C ATOM 1025 OG SER A 116 58.961 5.857 -57.741 1.00 0.00 O ATOM 0 H SER A 116 59.514 2.546 -59.309 1.00 0.00 H new ATOM 0 HA SER A 116 57.282 4.308 -58.535 1.00 0.00 H new ATOM 0 HB2 SER A 116 60.183 4.556 -58.766 1.00 0.00 H new ATOM 0 HB3 SER A 116 59.386 5.766 -59.753 1.00 0.00 H new ATOM 0 HG SER A 116 58.336 6.577 -57.966 1.00 0.00 H new ATOM 1031 N SER A 117 56.600 5.095 -60.818 1.00 0.00 N ATOM 1032 CA SER A 117 56.043 5.349 -62.141 1.00 0.00 C ATOM 1033 C SER A 117 56.830 6.440 -62.861 1.00 0.00 C ATOM 1034 O SER A 117 57.810 6.964 -62.333 1.00 0.00 O ATOM 1035 CB SER A 117 54.572 5.754 -62.029 1.00 0.00 C ATOM 1036 OG SER A 117 53.948 5.764 -63.301 1.00 0.00 O ATOM 0 H SER A 117 56.125 5.584 -60.060 1.00 0.00 H new ATOM 0 HA SER A 117 56.116 4.430 -62.722 1.00 0.00 H new ATOM 0 HB2 SER A 117 54.050 5.061 -61.370 1.00 0.00 H new ATOM 0 HB3 SER A 117 54.497 6.743 -61.576 1.00 0.00 H new ATOM 0 HG SER A 117 53.008 6.024 -63.202 1.00 0.00 H new ATOM 1042 N GLU A 118 56.392 6.776 -64.071 1.00 0.00 N ATOM 1043 CA GLU A 118 57.055 7.804 -64.864 1.00 0.00 C ATOM 1044 C GLU A 118 57.140 9.117 -64.092 1.00 0.00 C ATOM 1045 O GLU A 118 58.015 9.944 -64.346 1.00 0.00 O ATOM 1046 CB GLU A 118 56.310 8.022 -66.183 1.00 0.00 C ATOM 1047 CG GLU A 118 56.212 6.772 -67.041 1.00 0.00 C ATOM 1048 CD GLU A 118 54.945 5.982 -66.780 1.00 0.00 C ATOM 1049 OE1 GLU A 118 53.912 6.293 -67.410 1.00 0.00 O ATOM 1050 OE2 GLU A 118 54.984 5.054 -65.945 1.00 0.00 O ATOM 0 H GLU A 118 55.582 6.351 -64.522 1.00 0.00 H new ATOM 0 HA GLU A 118 58.068 7.463 -65.079 1.00 0.00 H new ATOM 0 HB2 GLU A 118 55.305 8.384 -65.967 1.00 0.00 H new ATOM 0 HB3 GLU A 118 56.815 8.803 -66.751 1.00 0.00 H new ATOM 0 HG2 GLU A 118 56.249 7.054 -68.093 1.00 0.00 H new ATOM 0 HG3 GLU A 118 57.077 6.137 -66.851 1.00 0.00 H new ATOM 1057 N ALA A 119 56.223 9.302 -63.148 1.00 0.00 N ATOM 1058 CA ALA A 119 56.194 10.513 -62.338 1.00 0.00 C ATOM 1059 C ALA A 119 57.549 10.771 -61.687 1.00 0.00 C ATOM 1060 O ALA A 119 57.945 11.919 -61.490 1.00 0.00 O ATOM 1061 CB ALA A 119 55.107 10.413 -61.277 1.00 0.00 C ATOM 0 H ALA A 119 55.490 8.628 -62.926 1.00 0.00 H new ATOM 0 HA ALA A 119 55.970 11.354 -62.994 1.00 0.00 H new ATOM 0 HB1 ALA A 119 55.097 11.325 -60.679 1.00 0.00 H new ATOM 0 HB2 ALA A 119 54.138 10.285 -61.760 1.00 0.00 H new ATOM 0 HB3 ALA A 119 55.307 9.558 -60.631 1.00 0.00 H new ATOM 1067 N ASP A 120 58.254 9.695 -61.355 1.00 0.00 N ATOM 1068 CA ASP A 120 59.565 9.805 -60.726 1.00 0.00 C ATOM 1069 C ASP A 120 60.645 10.084 -61.767 1.00 0.00 C ATOM 1070 O ASP A 120 61.683 10.669 -61.457 1.00 0.00 O ATOM 1071 CB ASP A 120 59.896 8.523 -59.961 1.00 0.00 C ATOM 1072 CG ASP A 120 59.416 8.566 -58.523 1.00 0.00 C ATOM 1073 OD1 ASP A 120 58.221 8.288 -58.288 1.00 0.00 O ATOM 1074 OD2 ASP A 120 60.234 8.878 -57.634 1.00 0.00 O ATOM 0 H ASP A 120 57.940 8.737 -61.511 1.00 0.00 H new ATOM 0 HA ASP A 120 59.536 10.640 -60.026 1.00 0.00 H new ATOM 0 HB2 ASP A 120 59.440 7.673 -60.468 1.00 0.00 H new ATOM 0 HB3 ASP A 120 60.974 8.362 -59.976 1.00 0.00 H new ATOM 1079 N CYS A 121 60.394 9.660 -63.001 1.00 0.00 N ATOM 1080 CA CYS A 121 61.345 9.863 -64.087 1.00 0.00 C ATOM 1081 C CYS A 121 61.771 11.325 -64.172 1.00 0.00 C ATOM 1082 O CYS A 121 62.935 11.629 -64.431 1.00 0.00 O ATOM 1083 CB CYS A 121 60.735 9.419 -65.417 1.00 0.00 C ATOM 1084 SG CYS A 121 61.882 9.480 -66.813 1.00 0.00 S ATOM 0 H CYS A 121 59.540 9.174 -63.274 1.00 0.00 H new ATOM 0 HA CYS A 121 62.228 9.258 -63.881 1.00 0.00 H new ATOM 0 HB2 CYS A 121 60.362 8.400 -65.311 1.00 0.00 H new ATOM 0 HB3 CYS A 121 59.875 10.051 -65.639 1.00 0.00 H new ATOM 0 HG CYS A 121 61.274 9.084 -67.892 1.00 0.00 H new ATOM 1090 N SER A 122 60.819 12.227 -63.953 1.00 0.00 N ATOM 1091 CA SER A 122 61.094 13.658 -64.010 1.00 0.00 C ATOM 1092 C SER A 122 62.209 14.036 -63.039 1.00 0.00 C ATOM 1093 O SER A 122 63.018 14.919 -63.320 1.00 0.00 O ATOM 1094 CB SER A 122 59.829 14.455 -63.687 1.00 0.00 C ATOM 1095 OG SER A 122 59.845 15.719 -64.327 1.00 0.00 O ATOM 0 H SER A 122 59.851 11.992 -63.735 1.00 0.00 H new ATOM 0 HA SER A 122 61.419 13.901 -65.022 1.00 0.00 H new ATOM 0 HB2 SER A 122 58.951 13.894 -64.006 1.00 0.00 H new ATOM 0 HB3 SER A 122 59.747 14.591 -62.609 1.00 0.00 H new ATOM 0 HG SER A 122 59.025 16.208 -64.106 1.00 0.00 H new ATOM 1101 N GLY A 123 62.243 13.360 -61.895 1.00 0.00 N ATOM 1102 CA GLY A 123 63.262 13.638 -60.900 1.00 0.00 C ATOM 1103 C GLY A 123 64.277 12.518 -60.780 1.00 0.00 C ATOM 1104 O GLY A 123 65.022 12.449 -59.802 1.00 0.00 O ATOM 0 H GLY A 123 61.583 12.625 -61.640 1.00 0.00 H new ATOM 0 HA2 GLY A 123 63.776 14.563 -61.160 1.00 0.00 H new ATOM 0 HA3 GLY A 123 62.786 13.798 -59.932 1.00 0.00 H new ATOM 1108 N CYS A 124 64.306 11.640 -61.776 1.00 0.00 N ATOM 1109 CA CYS A 124 65.236 10.516 -61.777 1.00 0.00 C ATOM 1110 C CYS A 124 65.747 10.234 -63.186 1.00 0.00 C ATOM 1111 O CYS A 124 66.242 9.144 -63.473 1.00 0.00 O ATOM 1112 CB CYS A 124 64.561 9.268 -61.207 1.00 0.00 C ATOM 1113 SG CYS A 124 63.876 9.490 -59.548 1.00 0.00 S ATOM 0 H CYS A 124 63.697 11.684 -62.593 1.00 0.00 H new ATOM 0 HA CYS A 124 66.086 10.780 -61.148 1.00 0.00 H new ATOM 0 HB2 CYS A 124 63.761 8.961 -61.881 1.00 0.00 H new ATOM 0 HB3 CYS A 124 65.286 8.455 -61.183 1.00 0.00 H new ATOM 0 HG CYS A 124 62.720 10.078 -59.631 1.00 0.00 H new ATOM 1119 N LYS A 125 65.621 11.224 -64.064 1.00 0.00 N ATOM 1120 CA LYS A 125 66.069 11.084 -65.444 1.00 0.00 C ATOM 1121 C LYS A 125 67.499 10.555 -65.502 1.00 0.00 C ATOM 1122 O LYS A 125 67.775 9.560 -66.172 1.00 0.00 O ATOM 1123 CB LYS A 125 65.983 12.429 -66.169 1.00 0.00 C ATOM 1124 CG LYS A 125 64.722 12.593 -66.999 1.00 0.00 C ATOM 1125 CD LYS A 125 64.652 11.567 -68.117 1.00 0.00 C ATOM 1126 CE LYS A 125 63.630 11.960 -69.172 1.00 0.00 C ATOM 1127 NZ LYS A 125 63.326 10.833 -70.097 1.00 0.00 N ATOM 0 H LYS A 125 65.212 12.132 -63.844 1.00 0.00 H new ATOM 0 HA LYS A 125 65.415 10.367 -65.940 1.00 0.00 H new ATOM 0 HB2 LYS A 125 66.031 13.232 -65.434 1.00 0.00 H new ATOM 0 HB3 LYS A 125 66.852 12.539 -66.818 1.00 0.00 H new ATOM 0 HG2 LYS A 125 63.847 12.492 -66.357 1.00 0.00 H new ATOM 0 HG3 LYS A 125 64.693 13.597 -67.423 1.00 0.00 H new ATOM 0 HD2 LYS A 125 65.633 11.465 -68.580 1.00 0.00 H new ATOM 0 HD3 LYS A 125 64.392 10.593 -67.702 1.00 0.00 H new ATOM 0 HE2 LYS A 125 62.712 12.287 -68.684 1.00 0.00 H new ATOM 0 HE3 LYS A 125 64.006 12.808 -69.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 62.625 11.141 -70.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 64.197 10.537 -70.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 62.943 10.033 -69.555 1.00 0.00 H new ATOM 1141 N GLN A 126 68.402 11.225 -64.793 1.00 0.00 N ATOM 1142 CA GLN A 126 69.802 10.820 -64.764 1.00 0.00 C ATOM 1143 C GLN A 126 69.933 9.336 -64.439 1.00 0.00 C ATOM 1144 O GLN A 126 70.845 8.662 -64.920 1.00 0.00 O ATOM 1145 CB GLN A 126 70.573 11.650 -63.736 1.00 0.00 C ATOM 1146 CG GLN A 126 69.893 11.721 -62.378 1.00 0.00 C ATOM 1147 CD GLN A 126 69.032 12.958 -62.220 1.00 0.00 C ATOM 1148 OE1 GLN A 126 69.172 13.926 -62.969 1.00 0.00 O ATOM 1149 NE2 GLN A 126 68.134 12.934 -61.243 1.00 0.00 N ATOM 0 H GLN A 126 68.189 12.050 -64.232 1.00 0.00 H new ATOM 0 HA GLN A 126 70.226 10.995 -65.753 1.00 0.00 H new ATOM 0 HB2 GLN A 126 71.569 11.226 -63.612 1.00 0.00 H new ATOM 0 HB3 GLN A 126 70.703 12.661 -64.121 1.00 0.00 H new ATOM 0 HG2 GLN A 126 69.276 10.833 -62.238 1.00 0.00 H new ATOM 0 HG3 GLN A 126 70.651 11.709 -61.595 1.00 0.00 H new ATOM 0 HE21 GLN A 126 68.052 12.111 -60.646 1.00 0.00 H new ATOM 0 HE22 GLN A 126 67.526 13.738 -61.089 1.00 0.00 H new ATOM 1158 N LEU A 127 69.018 8.832 -63.619 1.00 0.00 N ATOM 1159 CA LEU A 127 69.031 7.426 -63.229 1.00 0.00 C ATOM 1160 C LEU A 127 68.561 6.538 -64.376 1.00 0.00 C ATOM 1161 O LEU A 127 69.207 5.544 -64.709 1.00 0.00 O ATOM 1162 CB LEU A 127 68.142 7.209 -62.003 1.00 0.00 C ATOM 1163 CG LEU A 127 68.302 8.222 -60.869 1.00 0.00 C ATOM 1164 CD1 LEU A 127 67.597 7.734 -59.613 1.00 0.00 C ATOM 1165 CD2 LEU A 127 69.775 8.481 -60.589 1.00 0.00 C ATOM 0 H LEU A 127 68.257 9.376 -63.211 1.00 0.00 H new ATOM 0 HA LEU A 127 70.056 7.153 -62.980 1.00 0.00 H new ATOM 0 HB2 LEU A 127 67.101 7.219 -62.328 1.00 0.00 H new ATOM 0 HB3 LEU A 127 68.343 6.214 -61.605 1.00 0.00 H new ATOM 0 HG LEU A 127 67.841 9.160 -61.178 1.00 0.00 H new ATOM 0 HD11 LEU A 127 67.722 8.468 -58.817 1.00 0.00 H new ATOM 0 HD12 LEU A 127 66.535 7.601 -59.820 1.00 0.00 H new ATOM 0 HD13 LEU A 127 68.028 6.783 -59.300 1.00 0.00 H new ATOM 0 HD21 LEU A 127 69.870 9.204 -59.779 1.00 0.00 H new ATOM 0 HD22 LEU A 127 70.260 7.548 -60.301 1.00 0.00 H new ATOM 0 HD23 LEU A 127 70.252 8.876 -61.486 1.00 0.00 H new ATOM 1177 N ILE A 128 67.434 6.904 -64.978 1.00 0.00 N ATOM 1178 CA ILE A 128 66.880 6.142 -66.090 1.00 0.00 C ATOM 1179 C ILE A 128 67.913 5.955 -67.196 1.00 0.00 C ATOM 1180 O ILE A 128 68.048 4.866 -67.754 1.00 0.00 O ATOM 1181 CB ILE A 128 65.634 6.830 -66.678 1.00 0.00 C ATOM 1182 CG1 ILE A 128 64.613 7.114 -65.574 1.00 0.00 C ATOM 1183 CG2 ILE A 128 65.016 5.965 -67.767 1.00 0.00 C ATOM 1184 CD1 ILE A 128 64.203 5.883 -64.798 1.00 0.00 C ATOM 0 H ILE A 128 66.887 7.723 -64.714 1.00 0.00 H new ATOM 0 HA ILE A 128 66.594 5.168 -65.694 1.00 0.00 H new ATOM 0 HB ILE A 128 65.936 7.779 -67.121 1.00 0.00 H new ATOM 0 HG12 ILE A 128 65.031 7.846 -64.883 1.00 0.00 H new ATOM 0 HG13 ILE A 128 63.726 7.565 -66.018 1.00 0.00 H new ATOM 0 HG21 ILE A 128 64.136 6.464 -68.173 1.00 0.00 H new ATOM 0 HG22 ILE A 128 65.744 5.807 -68.563 1.00 0.00 H new ATOM 0 HG23 ILE A 128 64.725 5.003 -67.346 1.00 0.00 H new ATOM 0 HD11 ILE A 128 63.478 6.160 -64.033 1.00 0.00 H new ATOM 0 HD12 ILE A 128 63.755 5.158 -65.477 1.00 0.00 H new ATOM 0 HD13 ILE A 128 65.080 5.443 -64.324 1.00 0.00 H new ATOM 1196 N GLU A 129 68.640 7.024 -67.507 1.00 0.00 N ATOM 1197 CA GLU A 129 69.661 6.976 -68.546 1.00 0.00 C ATOM 1198 C GLU A 129 70.912 6.258 -68.047 1.00 0.00 C ATOM 1199 O GLU A 129 71.526 5.480 -68.776 1.00 0.00 O ATOM 1200 CB GLU A 129 70.021 8.391 -69.005 1.00 0.00 C ATOM 1201 CG GLU A 129 70.557 9.274 -67.890 1.00 0.00 C ATOM 1202 CD GLU A 129 70.720 10.719 -68.318 1.00 0.00 C ATOM 1203 OE1 GLU A 129 69.719 11.325 -68.755 1.00 0.00 O ATOM 1204 OE2 GLU A 129 71.848 11.244 -68.216 1.00 0.00 O ATOM 0 H GLU A 129 68.541 7.933 -67.054 1.00 0.00 H new ATOM 0 HA GLU A 129 69.256 6.420 -69.391 1.00 0.00 H new ATOM 0 HB2 GLU A 129 70.766 8.328 -69.798 1.00 0.00 H new ATOM 0 HB3 GLU A 129 69.137 8.860 -69.436 1.00 0.00 H new ATOM 0 HG2 GLU A 129 69.881 9.226 -67.037 1.00 0.00 H new ATOM 0 HG3 GLU A 129 71.520 8.887 -67.556 1.00 0.00 H new ATOM 1211 N ALA A 130 71.283 6.526 -66.800 1.00 0.00 N ATOM 1212 CA ALA A 130 72.459 5.905 -66.202 1.00 0.00 C ATOM 1213 C ALA A 130 72.349 4.385 -66.228 1.00 0.00 C ATOM 1214 O ALA A 130 73.276 3.693 -66.650 1.00 0.00 O ATOM 1215 CB ALA A 130 72.649 6.399 -64.776 1.00 0.00 C ATOM 0 H ALA A 130 70.786 7.169 -66.184 1.00 0.00 H new ATOM 0 HA ALA A 130 73.330 6.190 -66.792 1.00 0.00 H new ATOM 0 HB1 ALA A 130 73.530 5.927 -64.342 1.00 0.00 H new ATOM 0 HB2 ALA A 130 72.782 7.481 -64.780 1.00 0.00 H new ATOM 0 HB3 ALA A 130 71.771 6.143 -64.182 1.00 0.00 H new ATOM 1221 N TYR A 131 71.212 3.870 -65.772 1.00 0.00 N ATOM 1222 CA TYR A 131 70.983 2.431 -65.740 1.00 0.00 C ATOM 1223 C TYR A 131 71.244 1.807 -67.108 1.00 0.00 C ATOM 1224 O TYR A 131 71.950 0.805 -67.221 1.00 0.00 O ATOM 1225 CB TYR A 131 69.551 2.131 -65.295 1.00 0.00 C ATOM 1226 CG TYR A 131 69.325 0.684 -64.918 1.00 0.00 C ATOM 1227 CD1 TYR A 131 70.012 0.107 -63.857 1.00 0.00 C ATOM 1228 CD2 TYR A 131 68.424 -0.105 -65.623 1.00 0.00 C ATOM 1229 CE1 TYR A 131 69.809 -1.215 -63.509 1.00 0.00 C ATOM 1230 CE2 TYR A 131 68.214 -1.427 -65.281 1.00 0.00 C ATOM 1231 CZ TYR A 131 68.909 -1.977 -64.224 1.00 0.00 C ATOM 1232 OH TYR A 131 68.703 -3.294 -63.881 1.00 0.00 O ATOM 0 H TYR A 131 70.435 4.428 -65.419 1.00 0.00 H new ATOM 0 HA TYR A 131 71.678 1.994 -65.023 1.00 0.00 H new ATOM 0 HB2 TYR A 131 69.305 2.763 -64.442 1.00 0.00 H new ATOM 0 HB3 TYR A 131 68.866 2.400 -66.099 1.00 0.00 H new ATOM 0 HD1 TYR A 131 70.717 0.702 -63.295 1.00 0.00 H new ATOM 0 HD2 TYR A 131 67.879 0.322 -66.452 1.00 0.00 H new ATOM 0 HE1 TYR A 131 70.352 -1.649 -62.682 1.00 0.00 H new ATOM 0 HE2 TYR A 131 67.509 -2.027 -65.838 1.00 0.00 H new ATOM 0 HH TYR A 131 68.528 -3.358 -62.919 1.00 0.00 H new ATOM 1242 N TRP A 132 70.669 2.408 -68.144 1.00 0.00 N ATOM 1243 CA TRP A 132 70.839 1.912 -69.505 1.00 0.00 C ATOM 1244 C TRP A 132 72.287 2.056 -69.960 1.00 0.00 C ATOM 1245 O TRP A 132 72.813 1.197 -70.666 1.00 0.00 O ATOM 1246 CB TRP A 132 69.914 2.665 -70.463 1.00 0.00 C ATOM 1247 CG TRP A 132 68.473 2.275 -70.326 1.00 0.00 C ATOM 1248 CD1 TRP A 132 67.746 2.217 -69.171 1.00 0.00 C ATOM 1249 CD2 TRP A 132 67.586 1.887 -71.381 1.00 0.00 C ATOM 1250 NE1 TRP A 132 66.460 1.817 -69.445 1.00 0.00 N ATOM 1251 CE2 TRP A 132 66.336 1.608 -70.793 1.00 0.00 C ATOM 1252 CE3 TRP A 132 67.725 1.749 -72.764 1.00 0.00 C ATOM 1253 CZ2 TRP A 132 65.236 1.200 -71.542 1.00 0.00 C ATOM 1254 CZ3 TRP A 132 66.633 1.343 -73.506 1.00 0.00 C ATOM 1255 CH2 TRP A 132 65.401 1.073 -72.895 1.00 0.00 C ATOM 0 H TRP A 132 70.082 3.238 -68.068 1.00 0.00 H new ATOM 0 HA TRP A 132 70.578 0.854 -69.515 1.00 0.00 H new ATOM 0 HB2 TRP A 132 70.012 3.736 -70.285 1.00 0.00 H new ATOM 0 HB3 TRP A 132 70.237 2.482 -71.488 1.00 0.00 H new ATOM 0 HD1 TRP A 132 68.126 2.451 -68.187 1.00 0.00 H new ATOM 0 HE1 TRP A 132 65.718 1.695 -68.756 1.00 0.00 H new ATOM 0 HE3 TRP A 132 68.670 1.956 -73.245 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 64.286 0.991 -71.072 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 66.730 1.232 -74.576 1.00 0.00 H new ATOM 0 HH2 TRP A 132 64.566 0.759 -73.503 1.00 0.00 H new ATOM 1266 N ASN A 133 72.926 3.146 -69.550 1.00 0.00 N ATOM 1267 CA ASN A 133 74.315 3.402 -69.916 1.00 0.00 C ATOM 1268 C ASN A 133 75.218 2.262 -69.455 1.00 0.00 C ATOM 1269 O ASN A 133 76.258 1.999 -70.057 1.00 0.00 O ATOM 1270 CB ASN A 133 74.790 4.722 -69.308 1.00 0.00 C ATOM 1271 CG ASN A 133 76.224 5.047 -69.679 1.00 0.00 C ATOM 1272 OD1 ASN A 133 76.637 4.865 -70.824 1.00 0.00 O ATOM 1273 ND2 ASN A 133 76.991 5.530 -68.709 1.00 0.00 N ATOM 0 H ASN A 133 72.505 3.867 -68.964 1.00 0.00 H new ATOM 0 HA ASN A 133 74.371 3.470 -71.002 1.00 0.00 H new ATOM 0 HB2 ASN A 133 74.139 5.529 -69.644 1.00 0.00 H new ATOM 0 HB3 ASN A 133 74.701 4.672 -68.223 1.00 0.00 H new ATOM 0 HD21 ASN A 133 77.965 5.766 -68.899 1.00 0.00 H new ATOM 0 HD22 ASN A 133 76.606 5.665 -67.774 1.00 0.00 H new ATOM 1280 N GLU A 134 74.810 1.588 -68.383 1.00 0.00 N ATOM 1281 CA GLU A 134 75.583 0.477 -67.841 1.00 0.00 C ATOM 1282 C GLU A 134 75.496 -0.743 -68.755 1.00 0.00 C ATOM 1283 O GLU A 134 76.398 -1.580 -68.778 1.00 0.00 O ATOM 1284 CB GLU A 134 75.085 0.115 -66.441 1.00 0.00 C ATOM 1285 CG GLU A 134 76.108 -0.636 -65.606 1.00 0.00 C ATOM 1286 CD GLU A 134 75.748 -0.670 -64.133 1.00 0.00 C ATOM 1287 OE1 GLU A 134 75.884 0.377 -63.465 1.00 0.00 O ATOM 1288 OE2 GLU A 134 75.330 -1.742 -63.649 1.00 0.00 O ATOM 0 H GLU A 134 73.950 1.792 -67.874 1.00 0.00 H new ATOM 0 HA GLU A 134 76.625 0.790 -67.778 1.00 0.00 H new ATOM 0 HB2 GLU A 134 74.802 1.028 -65.918 1.00 0.00 H new ATOM 0 HB3 GLU A 134 74.185 -0.493 -66.531 1.00 0.00 H new ATOM 0 HG2 GLU A 134 76.196 -1.657 -65.978 1.00 0.00 H new ATOM 0 HG3 GLU A 134 77.085 -0.167 -65.727 1.00 0.00 H new ATOM 1295 N HIS A 135 74.403 -0.836 -69.505 1.00 0.00 N ATOM 1296 CA HIS A 135 74.197 -1.952 -70.421 1.00 0.00 C ATOM 1297 C HIS A 135 74.941 -1.723 -71.733 1.00 0.00 C ATOM 1298 O HIS A 135 75.311 -2.673 -72.422 1.00 0.00 O ATOM 1299 CB HIS A 135 72.705 -2.147 -70.694 1.00 0.00 C ATOM 1300 CG HIS A 135 71.996 -2.919 -69.624 1.00 0.00 C ATOM 1301 ND1 HIS A 135 72.448 -2.990 -68.323 1.00 0.00 N ATOM 1302 CD2 HIS A 135 70.860 -3.653 -69.667 1.00 0.00 C ATOM 1303 CE1 HIS A 135 71.621 -3.737 -67.612 1.00 0.00 C ATOM 1304 NE2 HIS A 135 70.649 -4.151 -68.405 1.00 0.00 N ATOM 0 H HIS A 135 73.646 -0.152 -69.497 1.00 0.00 H new ATOM 0 HA HIS A 135 74.593 -2.853 -69.952 1.00 0.00 H new ATOM 0 HB2 HIS A 135 72.233 -1.170 -70.799 1.00 0.00 H new ATOM 0 HB3 HIS A 135 72.583 -2.665 -71.645 1.00 0.00 H new ATOM 0 HD2 HIS A 135 70.236 -3.817 -70.533 1.00 0.00 H new ATOM 0 HE1 HIS A 135 71.723 -3.969 -66.562 1.00 0.00 H new ATOM 0 HE2 HIS A 135 69.868 -4.745 -68.125 1.00 0.00 H new ATOM 1312 N GLY A 136 75.156 -0.456 -72.073 1.00 0.00 N ATOM 1313 CA GLY A 136 75.853 -0.125 -73.302 1.00 0.00 C ATOM 1314 C GLY A 136 74.913 0.345 -74.394 1.00 0.00 C ATOM 1315 O GLY A 136 75.053 -0.044 -75.553 1.00 0.00 O ATOM 0 H GLY A 136 74.860 0.348 -71.519 1.00 0.00 H new ATOM 0 HA2 GLY A 136 76.589 0.654 -73.100 1.00 0.00 H new ATOM 0 HA3 GLY A 136 76.402 -0.999 -73.651 1.00 0.00 H new