USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 577 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 Single : A 29 ASN : amide:sc= -0.22 K(o=-0.22,f=-6.1!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl 159:sc= -0.329 (180deg=-0.895) USER MOD Single : A 37 THR OG1 : rot 73:sc= 0.505 USER MOD Single : A 41 LYS NZ :NH3+ 145:sc= 0.717 (180deg=-0.578) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 ASN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 56 LYS NZ :NH3+ -175:sc= 0.272 (180deg=0.252) USER MOD Single : A 60 ASN : amide:sc= -0.728 K(o=-0.73,f=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 84:sc= 0.897 USER MOD Single : A 81 ASN : amide:sc= 0.463 X(o=0.46,f=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.0015 X(o=-0.0015,f=-0.36) USER MOD Single : A 86 HIS : no HD1:sc= -1.46 K(o=-1.5,f=-2) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 175:sc=-0.00246 (180deg=-0.048) USER MOD Single : A 96 THR OG1 : rot 16:sc= 0.786 USER MOD ----------------------------------------------------------------- ATOM 436 N GLU A 28 -6.528 8.592 6.493 1.00 45.31 N ATOM 437 CA GLU A 28 -6.288 8.980 5.108 1.00 23.40 C ATOM 438 C GLU A 28 -4.972 9.738 4.971 1.00 21.21 C ATOM 439 O GLU A 28 -4.193 9.396 4.091 1.00 51.41 O ATOM 440 CB GLU A 28 -7.442 9.803 4.504 1.00 74.14 C ATOM 441 CG GLU A 28 -8.524 8.970 3.780 1.00 11.31 C ATOM 442 CD GLU A 28 -9.187 9.736 2.626 1.00 14.14 C ATOM 443 OE1 GLU A 28 -9.406 10.947 2.759 1.00 53.33 O ATOM 444 OE2 GLU A 28 -9.468 9.144 1.573 1.00 21.05 O ATOM 0 HA GLU A 28 -6.227 8.052 4.540 1.00 23.40 H new ATOM 0 HB2 GLU A 28 -7.917 10.375 5.301 1.00 74.14 H new ATOM 0 HB3 GLU A 28 -7.026 10.523 3.799 1.00 74.14 H new ATOM 0 HG2 GLU A 28 -8.074 8.056 3.393 1.00 11.31 H new ATOM 0 HG3 GLU A 28 -9.287 8.671 4.498 1.00 11.31 H new ATOM 451 N ASN A 29 -4.734 10.763 5.832 1.00 41.30 N ATOM 452 CA ASN A 29 -3.491 11.565 5.759 1.00 22.23 C ATOM 453 C ASN A 29 -2.249 10.664 5.826 1.00 52.52 C ATOM 454 O ASN A 29 -1.352 10.785 4.984 1.00 53.34 O ATOM 455 CB ASN A 29 -3.414 12.663 6.864 1.00 74.54 C ATOM 456 CG ASN A 29 -4.309 13.876 6.596 1.00 43.04 C ATOM 457 OD1 ASN A 29 -4.665 14.162 5.460 1.00 31.13 O ATOM 458 ND2 ASN A 29 -4.611 14.640 7.626 1.00 52.24 N ATOM 0 H ASN A 29 -5.377 11.047 6.571 1.00 41.30 H new ATOM 0 HA ASN A 29 -3.514 12.075 4.796 1.00 22.23 H new ATOM 0 HB2 ASN A 29 -3.693 12.222 7.821 1.00 74.54 H new ATOM 0 HB3 ASN A 29 -2.381 12.999 6.957 1.00 74.54 H new ATOM 0 HD21 ASN A 29 -5.154 15.492 7.487 1.00 52.24 H new ATOM 0 HD22 ASN A 29 -4.302 14.379 8.562 1.00 52.24 H new ATOM 465 N GLU A 30 -2.255 9.713 6.775 1.00 73.00 N ATOM 466 CA GLU A 30 -1.083 8.851 7.038 1.00 34.34 C ATOM 467 C GLU A 30 -0.848 7.866 5.863 1.00 74.52 C ATOM 468 O GLU A 30 0.261 7.789 5.327 1.00 24.31 O ATOM 469 CB GLU A 30 -1.248 8.082 8.385 1.00 70.11 C ATOM 470 CG GLU A 30 0.084 7.661 9.044 1.00 10.31 C ATOM 471 CD GLU A 30 0.868 8.864 9.597 1.00 41.20 C ATOM 472 OE1 GLU A 30 1.738 9.407 8.904 1.00 42.12 O ATOM 473 OE2 GLU A 30 0.602 9.285 10.729 1.00 40.05 O ATOM 0 H GLU A 30 -3.057 9.519 7.375 1.00 73.00 H new ATOM 0 HA GLU A 30 -0.205 9.491 7.122 1.00 34.34 H new ATOM 0 HB2 GLU A 30 -1.803 8.710 9.083 1.00 70.11 H new ATOM 0 HB3 GLU A 30 -1.851 7.191 8.210 1.00 70.11 H new ATOM 0 HG2 GLU A 30 -0.119 6.960 9.853 1.00 10.31 H new ATOM 0 HG3 GLU A 30 0.698 7.135 8.313 1.00 10.31 H new ATOM 480 N LEU A 31 -1.937 7.205 5.418 1.00 0.44 N ATOM 481 CA LEU A 31 -1.865 6.143 4.339 1.00 25.43 C ATOM 482 C LEU A 31 -1.402 6.782 3.024 1.00 71.11 C ATOM 483 O LEU A 31 -0.434 6.333 2.404 1.00 42.12 O ATOM 484 CB LEU A 31 -3.245 5.393 4.097 1.00 72.45 C ATOM 485 CG LEU A 31 -3.360 4.421 2.811 1.00 22.30 C ATOM 486 CD1 LEU A 31 -2.959 2.936 3.071 1.00 44.24 C ATOM 487 CD2 LEU A 31 -4.772 4.472 2.140 1.00 60.34 C ATOM 0 H LEU A 31 -2.879 7.371 5.773 1.00 0.44 H new ATOM 0 HA LEU A 31 -1.152 5.394 4.685 1.00 25.43 H new ATOM 0 HB2 LEU A 31 -3.464 4.800 4.985 1.00 72.45 H new ATOM 0 HB3 LEU A 31 -4.027 6.148 4.017 1.00 72.45 H new ATOM 0 HG LEU A 31 -2.620 4.831 2.124 1.00 22.30 H new ATOM 0 HD11 LEU A 31 -3.069 2.363 2.150 1.00 44.24 H new ATOM 0 HD12 LEU A 31 -1.922 2.892 3.404 1.00 44.24 H new ATOM 0 HD13 LEU A 31 -3.605 2.514 3.840 1.00 44.24 H new ATOM 0 HD21 LEU A 31 -4.792 3.800 1.282 1.00 60.34 H new ATOM 0 HD22 LEU A 31 -5.529 4.162 2.861 1.00 60.34 H new ATOM 0 HD23 LEU A 31 -4.981 5.489 1.809 1.00 60.34 H new ATOM 499 N ARG A 32 -2.091 7.872 2.665 1.00 53.33 N ATOM 500 CA ARG A 32 -1.860 8.633 1.432 1.00 30.13 C ATOM 501 C ARG A 32 -0.440 9.255 1.409 1.00 44.13 C ATOM 502 O ARG A 32 0.180 9.342 0.337 1.00 72.40 O ATOM 503 CB ARG A 32 -2.987 9.692 1.306 1.00 44.22 C ATOM 504 CG ARG A 32 -2.916 10.638 0.093 1.00 32.22 C ATOM 505 CD ARG A 32 -4.141 11.561 0.010 1.00 0.52 C ATOM 506 NE ARG A 32 -4.346 12.305 1.266 1.00 61.42 N ATOM 507 CZ ARG A 32 -5.438 12.234 2.043 1.00 10.15 C ATOM 508 NH1 ARG A 32 -6.457 11.452 1.716 1.00 23.35 N ATOM 509 NH2 ARG A 32 -5.484 12.933 3.161 1.00 62.01 N ATOM 0 H ARG A 32 -2.842 8.258 3.237 1.00 53.33 H new ATOM 0 HA ARG A 32 -1.897 7.974 0.564 1.00 30.13 H new ATOM 0 HB2 ARG A 32 -3.943 9.169 1.274 1.00 44.22 H new ATOM 0 HB3 ARG A 32 -2.986 10.299 2.211 1.00 44.22 H new ATOM 0 HG2 ARG A 32 -2.011 11.242 0.157 1.00 32.22 H new ATOM 0 HG3 ARG A 32 -2.843 10.050 -0.822 1.00 32.22 H new ATOM 0 HD2 ARG A 32 -4.013 12.264 -0.813 1.00 0.52 H new ATOM 0 HD3 ARG A 32 -5.029 10.969 -0.212 1.00 0.52 H new ATOM 0 HE ARG A 32 -3.595 12.925 1.570 1.00 61.42 H new ATOM 0 HH11 ARG A 32 -6.418 10.893 0.863 1.00 23.35 H new ATOM 0 HH12 ARG A 32 -7.280 11.409 2.317 1.00 23.35 H new ATOM 0 HH21 ARG A 32 -4.694 13.521 3.428 1.00 62.01 H new ATOM 0 HH22 ARG A 32 -6.309 12.886 3.758 1.00 62.01 H new ATOM 523 N SER A 33 0.084 9.629 2.604 1.00 25.34 N ATOM 524 CA SER A 33 1.429 10.222 2.745 1.00 11.53 C ATOM 525 C SER A 33 2.540 9.203 2.402 1.00 12.45 C ATOM 526 O SER A 33 3.387 9.481 1.536 1.00 51.33 O ATOM 527 CB SER A 33 1.614 10.782 4.170 1.00 51.43 C ATOM 528 OG SER A 33 2.870 11.423 4.329 1.00 5.15 O ATOM 0 H SER A 33 -0.414 9.527 3.488 1.00 25.34 H new ATOM 0 HA SER A 33 1.514 11.042 2.032 1.00 11.53 H new ATOM 0 HB2 SER A 33 0.815 11.491 4.388 1.00 51.43 H new ATOM 0 HB3 SER A 33 1.527 9.971 4.893 1.00 51.43 H new ATOM 0 HG SER A 33 2.949 11.766 5.244 1.00 5.15 H new ATOM 534 N MET A 34 2.543 8.013 3.067 1.00 31.55 N ATOM 535 CA MET A 34 3.580 6.975 2.807 1.00 23.22 C ATOM 536 C MET A 34 3.364 6.308 1.435 1.00 35.42 C ATOM 537 O MET A 34 4.311 5.741 0.877 1.00 20.32 O ATOM 538 CB MET A 34 3.662 5.860 3.904 1.00 74.45 C ATOM 539 CG MET A 34 4.063 6.304 5.334 1.00 54.42 C ATOM 540 SD MET A 34 2.648 6.738 6.358 1.00 64.31 S ATOM 541 CE MET A 34 1.874 5.142 6.592 1.00 41.22 C ATOM 0 H MET A 34 1.854 7.753 3.773 1.00 31.55 H new ATOM 0 HA MET A 34 4.526 7.516 2.826 1.00 23.22 H new ATOM 0 HB2 MET A 34 2.690 5.370 3.962 1.00 74.45 H new ATOM 0 HB3 MET A 34 4.378 5.109 3.570 1.00 74.45 H new ATOM 0 HG2 MET A 34 4.620 5.500 5.815 1.00 54.42 H new ATOM 0 HG3 MET A 34 4.733 7.161 5.268 1.00 54.42 H new ATOM 0 HE1 MET A 34 1.234 5.174 7.474 1.00 41.22 H new ATOM 0 HE2 MET A 34 1.273 4.897 5.716 1.00 41.22 H new ATOM 0 HE3 MET A 34 2.643 4.381 6.729 1.00 41.22 H new ATOM 551 N LEU A 35 2.124 6.361 0.899 1.00 61.31 N ATOM 552 CA LEU A 35 1.826 5.777 -0.439 1.00 10.10 C ATOM 553 C LEU A 35 2.468 6.671 -1.523 1.00 63.11 C ATOM 554 O LEU A 35 3.063 6.159 -2.477 1.00 34.24 O ATOM 555 CB LEU A 35 0.273 5.581 -0.684 1.00 1.33 C ATOM 556 CG LEU A 35 -0.198 4.464 -1.706 1.00 4.32 C ATOM 557 CD1 LEU A 35 -1.709 4.179 -1.554 1.00 63.52 C ATOM 558 CD2 LEU A 35 0.133 4.832 -3.173 1.00 11.12 C ATOM 0 H LEU A 35 1.322 6.793 1.359 1.00 61.31 H new ATOM 0 HA LEU A 35 2.257 4.777 -0.488 1.00 10.10 H new ATOM 0 HB2 LEU A 35 -0.190 5.365 0.279 1.00 1.33 H new ATOM 0 HB3 LEU A 35 -0.131 6.534 -1.025 1.00 1.33 H new ATOM 0 HG LEU A 35 0.359 3.560 -1.462 1.00 4.32 H new ATOM 0 HD11 LEU A 35 -2.008 3.409 -2.266 1.00 63.52 H new ATOM 0 HD12 LEU A 35 -1.914 3.835 -0.540 1.00 63.52 H new ATOM 0 HD13 LEU A 35 -2.273 5.091 -1.748 1.00 63.52 H new ATOM 0 HD21 LEU A 35 -0.209 4.036 -3.834 1.00 11.12 H new ATOM 0 HD22 LEU A 35 -0.369 5.763 -3.437 1.00 11.12 H new ATOM 0 HD23 LEU A 35 1.210 4.957 -3.283 1.00 11.12 H new ATOM 570 N ALA A 36 2.375 8.005 -1.333 1.00 11.41 N ATOM 571 CA ALA A 36 3.023 8.991 -2.219 1.00 34.05 C ATOM 572 C ALA A 36 4.551 8.825 -2.199 1.00 23.13 C ATOM 573 O ALA A 36 5.199 8.871 -3.253 1.00 55.53 O ATOM 574 CB ALA A 36 2.652 10.412 -1.805 1.00 53.30 C ATOM 0 H ALA A 36 1.851 8.425 -0.565 1.00 11.41 H new ATOM 0 HA ALA A 36 2.666 8.813 -3.233 1.00 34.05 H new ATOM 0 HB1 ALA A 36 3.140 11.124 -2.471 1.00 53.30 H new ATOM 0 HB2 ALA A 36 1.571 10.539 -1.867 1.00 53.30 H new ATOM 0 HB3 ALA A 36 2.980 10.590 -0.781 1.00 53.30 H new ATOM 580 N THR A 37 5.099 8.637 -0.980 1.00 13.32 N ATOM 581 CA THR A 37 6.520 8.348 -0.765 1.00 42.42 C ATOM 582 C THR A 37 6.931 7.090 -1.559 1.00 0.54 C ATOM 583 O THR A 37 7.930 7.110 -2.280 1.00 62.55 O ATOM 584 CB THR A 37 6.814 8.140 0.761 1.00 65.40 C ATOM 585 OG1 THR A 37 6.366 9.289 1.507 1.00 34.21 O ATOM 586 CG2 THR A 37 8.313 7.895 1.050 1.00 54.31 C ATOM 0 H THR A 37 4.559 8.683 -0.116 1.00 13.32 H new ATOM 0 HA THR A 37 7.104 9.198 -1.118 1.00 42.42 H new ATOM 0 HB THR A 37 6.269 7.248 1.072 1.00 65.40 H new ATOM 0 HG1 THR A 37 5.387 9.289 1.550 1.00 34.21 H new ATOM 0 HG21 THR A 37 8.459 7.758 2.121 1.00 54.31 H new ATOM 0 HG22 THR A 37 8.644 7.001 0.521 1.00 54.31 H new ATOM 0 HG23 THR A 37 8.894 8.753 0.712 1.00 54.31 H new ATOM 594 N ALA A 38 6.091 6.048 -1.469 1.00 14.33 N ATOM 595 CA ALA A 38 6.357 4.726 -2.048 1.00 5.30 C ATOM 596 C ALA A 38 6.287 4.737 -3.590 1.00 53.24 C ATOM 597 O ALA A 38 7.016 3.986 -4.230 1.00 50.31 O ATOM 598 CB ALA A 38 5.392 3.697 -1.452 1.00 55.15 C ATOM 0 H ALA A 38 5.195 6.103 -0.984 1.00 14.33 H new ATOM 0 HA ALA A 38 7.378 4.445 -1.791 1.00 5.30 H new ATOM 0 HB1 ALA A 38 5.593 2.717 -1.884 1.00 55.15 H new ATOM 0 HB2 ALA A 38 5.530 3.652 -0.372 1.00 55.15 H new ATOM 0 HB3 ALA A 38 4.366 3.989 -1.675 1.00 55.15 H new ATOM 604 N LEU A 39 5.427 5.602 -4.182 1.00 75.10 N ATOM 605 CA LEU A 39 5.374 5.772 -5.660 1.00 54.15 C ATOM 606 C LEU A 39 6.691 6.408 -6.157 1.00 20.24 C ATOM 607 O LEU A 39 7.178 6.083 -7.246 1.00 54.10 O ATOM 608 CB LEU A 39 4.173 6.663 -6.127 1.00 63.32 C ATOM 609 CG LEU A 39 2.703 6.216 -5.779 1.00 2.22 C ATOM 610 CD1 LEU A 39 1.690 7.276 -6.261 1.00 23.51 C ATOM 611 CD2 LEU A 39 2.335 4.819 -6.355 1.00 64.32 C ATOM 0 H LEU A 39 4.768 6.187 -3.669 1.00 75.10 H new ATOM 0 HA LEU A 39 5.235 4.779 -6.088 1.00 54.15 H new ATOM 0 HB2 LEU A 39 4.321 7.658 -5.708 1.00 63.32 H new ATOM 0 HB3 LEU A 39 4.238 6.760 -7.211 1.00 63.32 H new ATOM 0 HG LEU A 39 2.655 6.129 -4.694 1.00 2.22 H new ATOM 0 HD11 LEU A 39 0.679 6.952 -6.013 1.00 23.51 H new ATOM 0 HD12 LEU A 39 1.897 8.227 -5.770 1.00 23.51 H new ATOM 0 HD13 LEU A 39 1.777 7.398 -7.341 1.00 23.51 H new ATOM 0 HD21 LEU A 39 1.310 4.570 -6.080 1.00 64.32 H new ATOM 0 HD22 LEU A 39 2.425 4.838 -7.441 1.00 64.32 H new ATOM 0 HD23 LEU A 39 3.012 4.068 -5.948 1.00 64.32 H new ATOM 623 N GLU A 40 7.239 7.331 -5.345 1.00 63.15 N ATOM 624 CA GLU A 40 8.516 8.024 -5.639 1.00 73.43 C ATOM 625 C GLU A 40 9.731 7.132 -5.305 1.00 3.53 C ATOM 626 O GLU A 40 10.825 7.348 -5.827 1.00 71.52 O ATOM 627 CB GLU A 40 8.571 9.366 -4.864 1.00 14.12 C ATOM 628 CG GLU A 40 7.455 10.352 -5.267 1.00 14.24 C ATOM 629 CD GLU A 40 7.471 11.646 -4.449 1.00 24.41 C ATOM 630 OE1 GLU A 40 8.434 12.426 -4.591 1.00 72.42 O ATOM 631 OE2 GLU A 40 6.521 11.895 -3.676 1.00 21.33 O ATOM 0 H GLU A 40 6.812 7.620 -4.465 1.00 63.15 H new ATOM 0 HA GLU A 40 8.562 8.234 -6.708 1.00 73.43 H new ATOM 0 HB2 GLU A 40 8.498 9.163 -3.795 1.00 14.12 H new ATOM 0 HB3 GLU A 40 9.540 9.836 -5.034 1.00 14.12 H new ATOM 0 HG2 GLU A 40 7.559 10.596 -6.324 1.00 14.24 H new ATOM 0 HG3 GLU A 40 6.487 9.865 -5.146 1.00 14.24 H new ATOM 638 N LYS A 41 9.514 6.142 -4.425 1.00 74.33 N ATOM 639 CA LYS A 41 10.510 5.098 -4.092 1.00 23.30 C ATOM 640 C LYS A 41 10.524 4.012 -5.172 1.00 70.31 C ATOM 641 O LYS A 41 9.470 3.674 -5.704 1.00 64.01 O ATOM 642 CB LYS A 41 10.179 4.449 -2.721 1.00 52.31 C ATOM 643 CG LYS A 41 10.505 5.335 -1.505 1.00 62.24 C ATOM 644 CD LYS A 41 12.037 5.624 -1.389 1.00 71.12 C ATOM 645 CE LYS A 41 12.475 6.161 -0.009 1.00 24.41 C ATOM 646 NZ LYS A 41 11.965 5.321 1.100 1.00 32.23 N ATOM 0 H LYS A 41 8.636 6.038 -3.917 1.00 74.33 H new ATOM 0 HA LYS A 41 11.491 5.570 -4.039 1.00 23.30 H new ATOM 0 HB2 LYS A 41 9.119 4.197 -2.698 1.00 52.31 H new ATOM 0 HB3 LYS A 41 10.731 3.513 -2.632 1.00 52.31 H new ATOM 0 HG2 LYS A 41 9.963 6.277 -1.586 1.00 62.24 H new ATOM 0 HG3 LYS A 41 10.158 4.845 -0.595 1.00 62.24 H new ATOM 0 HD2 LYS A 41 12.586 4.706 -1.601 1.00 71.12 H new ATOM 0 HD3 LYS A 41 12.318 6.347 -2.154 1.00 71.12 H new ATOM 0 HE2 LYS A 41 13.563 6.200 0.036 1.00 24.41 H new ATOM 0 HE3 LYS A 41 12.114 7.182 0.114 1.00 24.41 H new ATOM 0 HZ1 LYS A 41 12.668 5.294 1.866 1.00 32.23 H new ATOM 0 HZ2 LYS A 41 11.076 5.723 1.460 1.00 32.23 H new ATOM 0 HZ3 LYS A 41 11.793 4.356 0.754 1.00 32.23 H new ATOM 660 N ASP A 42 11.719 3.467 -5.470 1.00 51.40 N ATOM 661 CA ASP A 42 11.881 2.342 -6.415 1.00 51.43 C ATOM 662 C ASP A 42 11.157 1.091 -5.883 1.00 72.43 C ATOM 663 O ASP A 42 11.620 0.449 -4.938 1.00 23.44 O ATOM 664 CB ASP A 42 13.389 2.031 -6.655 1.00 21.22 C ATOM 665 CG ASP A 42 14.092 3.093 -7.510 1.00 24.32 C ATOM 666 OD1 ASP A 42 14.369 2.830 -8.696 1.00 11.13 O ATOM 667 OD2 ASP A 42 14.355 4.201 -7.011 1.00 73.12 O ATOM 0 H ASP A 42 12.597 3.792 -5.065 1.00 51.40 H new ATOM 0 HA ASP A 42 11.436 2.630 -7.368 1.00 51.43 H new ATOM 0 HB2 ASP A 42 13.896 1.953 -5.693 1.00 21.22 H new ATOM 0 HB3 ASP A 42 13.481 1.061 -7.143 1.00 21.22 H new ATOM 672 N ILE A 43 9.998 0.788 -6.477 1.00 63.15 N ATOM 673 CA ILE A 43 9.144 -0.345 -6.085 1.00 12.30 C ATOM 674 C ILE A 43 9.090 -1.367 -7.230 1.00 50.20 C ATOM 675 O ILE A 43 8.947 -0.990 -8.405 1.00 43.45 O ATOM 676 CB ILE A 43 7.696 0.149 -5.668 1.00 23.04 C ATOM 677 CG1 ILE A 43 7.026 1.016 -6.783 1.00 44.40 C ATOM 678 CG2 ILE A 43 7.753 0.937 -4.341 1.00 73.32 C ATOM 679 CD1 ILE A 43 5.685 1.613 -6.382 1.00 31.44 C ATOM 0 H ILE A 43 9.619 1.328 -7.255 1.00 63.15 H new ATOM 0 HA ILE A 43 9.574 -0.831 -5.209 1.00 12.30 H new ATOM 0 HB ILE A 43 7.081 -0.740 -5.530 1.00 23.04 H new ATOM 0 HG12 ILE A 43 7.704 1.824 -7.057 1.00 44.40 H new ATOM 0 HG13 ILE A 43 6.887 0.401 -7.672 1.00 44.40 H new ATOM 0 HG21 ILE A 43 6.750 1.268 -4.071 1.00 73.32 H new ATOM 0 HG22 ILE A 43 8.148 0.295 -3.553 1.00 73.32 H new ATOM 0 HG23 ILE A 43 8.401 1.805 -4.461 1.00 73.32 H new ATOM 0 HD11 ILE A 43 5.286 2.200 -7.209 1.00 31.44 H new ATOM 0 HD12 ILE A 43 4.988 0.811 -6.137 1.00 31.44 H new ATOM 0 HD13 ILE A 43 5.819 2.256 -5.512 1.00 31.44 H new ATOM 691 N SER A 44 9.245 -2.656 -6.875 1.00 1.41 N ATOM 692 CA SER A 44 9.270 -3.790 -7.837 1.00 63.44 C ATOM 693 C SER A 44 7.919 -3.850 -8.585 1.00 64.11 C ATOM 694 O SER A 44 6.914 -3.434 -8.018 1.00 53.41 O ATOM 695 CB SER A 44 9.572 -5.118 -7.070 1.00 43.14 C ATOM 696 OG SER A 44 10.709 -4.962 -6.245 1.00 23.12 O ATOM 0 H SER A 44 9.358 -2.950 -5.905 1.00 1.41 H new ATOM 0 HA SER A 44 10.059 -3.648 -8.576 1.00 63.44 H new ATOM 0 HB2 SER A 44 8.711 -5.399 -6.464 1.00 43.14 H new ATOM 0 HB3 SER A 44 9.739 -5.927 -7.782 1.00 43.14 H new ATOM 0 HG SER A 44 10.886 -5.800 -5.769 1.00 23.12 H new ATOM 702 N GLN A 45 7.916 -4.318 -9.861 1.00 45.13 N ATOM 703 CA GLN A 45 6.716 -4.336 -10.747 1.00 14.32 C ATOM 704 C GLN A 45 5.410 -4.802 -10.035 1.00 32.35 C ATOM 705 O GLN A 45 4.352 -4.198 -10.231 1.00 34.54 O ATOM 706 CB GLN A 45 6.994 -5.213 -12.008 1.00 24.23 C ATOM 707 CG GLN A 45 5.824 -5.293 -13.014 1.00 13.10 C ATOM 708 CD GLN A 45 6.124 -6.176 -14.220 1.00 3.30 C ATOM 709 OE1 GLN A 45 5.860 -7.379 -14.209 1.00 5.53 O ATOM 710 NE2 GLN A 45 6.685 -5.588 -15.266 1.00 20.14 N ATOM 0 H GLN A 45 8.751 -4.696 -10.309 1.00 45.13 H new ATOM 0 HA GLN A 45 6.540 -3.302 -11.043 1.00 14.32 H new ATOM 0 HB2 GLN A 45 7.870 -4.817 -12.522 1.00 24.23 H new ATOM 0 HB3 GLN A 45 7.244 -6.223 -11.683 1.00 24.23 H new ATOM 0 HG2 GLN A 45 4.940 -5.676 -12.503 1.00 13.10 H new ATOM 0 HG3 GLN A 45 5.582 -4.288 -13.360 1.00 13.10 H new ATOM 0 HE21 GLN A 45 6.890 -4.589 -15.240 1.00 20.14 H new ATOM 0 HE22 GLN A 45 6.912 -6.134 -16.097 1.00 20.14 H new ATOM 719 N GLU A 46 5.526 -5.824 -9.159 1.00 63.51 N ATOM 720 CA GLU A 46 4.373 -6.440 -8.462 1.00 12.34 C ATOM 721 C GLU A 46 3.850 -5.531 -7.326 1.00 51.23 C ATOM 722 O GLU A 46 2.663 -5.509 -7.026 1.00 10.14 O ATOM 723 CB GLU A 46 4.765 -7.822 -7.861 1.00 62.33 C ATOM 724 CG GLU A 46 5.186 -8.907 -8.885 1.00 32.13 C ATOM 725 CD GLU A 46 6.527 -8.635 -9.582 1.00 33.13 C ATOM 726 OE1 GLU A 46 6.561 -8.505 -10.823 1.00 23.35 O ATOM 727 OE2 GLU A 46 7.551 -8.523 -8.882 1.00 14.13 O ATOM 0 H GLU A 46 6.422 -6.246 -8.914 1.00 63.51 H new ATOM 0 HA GLU A 46 3.585 -6.572 -9.203 1.00 12.34 H new ATOM 0 HB2 GLU A 46 5.586 -7.673 -7.160 1.00 62.33 H new ATOM 0 HB3 GLU A 46 3.920 -8.200 -7.286 1.00 62.33 H new ATOM 0 HG2 GLU A 46 5.244 -9.868 -8.374 1.00 32.13 H new ATOM 0 HG3 GLU A 46 4.408 -8.995 -9.643 1.00 32.13 H new ATOM 734 N GLU A 47 4.772 -4.772 -6.734 1.00 33.15 N ATOM 735 CA GLU A 47 4.522 -3.915 -5.552 1.00 44.12 C ATOM 736 C GLU A 47 3.879 -2.606 -6.060 1.00 5.24 C ATOM 737 O GLU A 47 2.944 -2.057 -5.460 1.00 33.24 O ATOM 738 CB GLU A 47 5.893 -3.656 -4.806 1.00 14.43 C ATOM 739 CG GLU A 47 5.826 -3.482 -3.268 1.00 54.13 C ATOM 740 CD GLU A 47 4.963 -2.300 -2.797 1.00 65.04 C ATOM 741 OE1 GLU A 47 5.455 -1.157 -2.867 1.00 11.50 O ATOM 742 OE2 GLU A 47 3.812 -2.513 -2.351 1.00 51.33 O ATOM 0 H GLU A 47 5.737 -4.728 -7.062 1.00 33.15 H new ATOM 0 HA GLU A 47 3.847 -4.387 -4.838 1.00 44.12 H new ATOM 0 HB2 GLU A 47 6.562 -4.488 -5.026 1.00 14.43 H new ATOM 0 HB3 GLU A 47 6.347 -2.761 -5.230 1.00 14.43 H new ATOM 0 HG2 GLU A 47 5.435 -4.399 -2.828 1.00 54.13 H new ATOM 0 HG3 GLU A 47 6.838 -3.352 -2.885 1.00 54.13 H new ATOM 749 N ARG A 48 4.380 -2.183 -7.236 1.00 61.14 N ATOM 750 CA ARG A 48 3.850 -1.066 -8.008 1.00 53.23 C ATOM 751 C ARG A 48 2.413 -1.361 -8.436 1.00 32.30 C ATOM 752 O ARG A 48 1.565 -0.481 -8.381 1.00 32.22 O ATOM 753 CB ARG A 48 4.743 -0.790 -9.240 1.00 55.15 C ATOM 754 CG ARG A 48 4.438 0.544 -9.947 1.00 61.31 C ATOM 755 CD ARG A 48 5.417 0.840 -11.093 1.00 22.04 C ATOM 756 NE ARG A 48 5.223 2.178 -11.675 1.00 62.43 N ATOM 757 CZ ARG A 48 6.083 2.776 -12.519 1.00 41.13 C ATOM 758 NH1 ARG A 48 7.218 2.175 -12.896 1.00 4.42 N ATOM 759 NH2 ARG A 48 5.806 3.994 -12.974 1.00 74.34 N ATOM 0 H ARG A 48 5.185 -2.626 -7.678 1.00 61.14 H new ATOM 0 HA ARG A 48 3.849 -0.173 -7.383 1.00 53.23 H new ATOM 0 HB2 ARG A 48 5.787 -0.794 -8.927 1.00 55.15 H new ATOM 0 HB3 ARG A 48 4.621 -1.604 -9.954 1.00 55.15 H new ATOM 0 HG2 ARG A 48 3.421 0.519 -10.339 1.00 61.31 H new ATOM 0 HG3 ARG A 48 4.479 1.355 -9.220 1.00 61.31 H new ATOM 0 HD2 ARG A 48 6.439 0.754 -10.724 1.00 22.04 H new ATOM 0 HD3 ARG A 48 5.295 0.088 -11.873 1.00 22.04 H new ATOM 0 HE ARG A 48 4.377 2.688 -11.420 1.00 62.43 H new ATOM 0 HH11 ARG A 48 7.445 1.246 -12.542 1.00 4.42 H new ATOM 0 HH12 ARG A 48 7.856 2.646 -13.537 1.00 4.42 H new ATOM 0 HH21 ARG A 48 4.949 4.465 -12.683 1.00 74.34 H new ATOM 0 HH22 ARG A 48 6.450 4.458 -13.614 1.00 74.34 H new ATOM 773 N ASN A 49 2.158 -2.636 -8.828 1.00 2.35 N ATOM 774 CA ASN A 49 0.800 -3.108 -9.155 1.00 24.13 C ATOM 775 C ASN A 49 -0.142 -2.934 -7.952 1.00 55.31 C ATOM 776 O ASN A 49 -1.246 -2.427 -8.113 1.00 33.50 O ATOM 777 CB ASN A 49 0.780 -4.586 -9.640 1.00 70.40 C ATOM 778 CG ASN A 49 1.403 -4.802 -11.013 1.00 23.32 C ATOM 779 OD1 ASN A 49 1.569 -3.867 -11.800 1.00 41.25 O ATOM 780 ND2 ASN A 49 1.677 -6.054 -11.337 1.00 73.41 N ATOM 0 H ASN A 49 2.880 -3.351 -8.923 1.00 2.35 H new ATOM 0 HA ASN A 49 0.447 -2.491 -9.981 1.00 24.13 H new ATOM 0 HB2 ASN A 49 1.309 -5.202 -8.913 1.00 70.40 H new ATOM 0 HB3 ASN A 49 -0.252 -4.935 -9.663 1.00 70.40 H new ATOM 0 HD21 ASN A 49 2.039 -6.273 -12.265 1.00 73.41 H new ATOM 0 HD22 ASN A 49 1.527 -6.801 -10.659 1.00 73.41 H new ATOM 787 N ALA A 50 0.349 -3.298 -6.747 1.00 64.34 N ATOM 788 CA ALA A 50 -0.443 -3.251 -5.494 1.00 53.21 C ATOM 789 C ALA A 50 -0.894 -1.815 -5.157 1.00 44.33 C ATOM 790 O ALA A 50 -2.084 -1.574 -4.903 1.00 70.31 O ATOM 791 CB ALA A 50 0.368 -3.838 -4.323 1.00 33.14 C ATOM 0 H ALA A 50 1.303 -3.632 -6.614 1.00 64.34 H new ATOM 0 HA ALA A 50 -1.337 -3.854 -5.650 1.00 53.21 H new ATOM 0 HB1 ALA A 50 -0.227 -3.796 -3.411 1.00 33.14 H new ATOM 0 HB2 ALA A 50 0.625 -4.875 -4.542 1.00 33.14 H new ATOM 0 HB3 ALA A 50 1.282 -3.259 -4.187 1.00 33.14 H new ATOM 797 N LEU A 51 0.064 -0.865 -5.173 1.00 5.24 N ATOM 798 CA LEU A 51 -0.203 0.542 -4.792 1.00 74.22 C ATOM 799 C LEU A 51 -0.928 1.322 -5.915 1.00 74.32 C ATOM 800 O LEU A 51 -1.637 2.297 -5.625 1.00 74.24 O ATOM 801 CB LEU A 51 1.106 1.268 -4.372 1.00 65.34 C ATOM 802 CG LEU A 51 2.005 0.577 -3.281 1.00 33.13 C ATOM 803 CD1 LEU A 51 3.259 1.423 -2.997 1.00 21.41 C ATOM 804 CD2 LEU A 51 1.254 0.289 -1.951 1.00 14.53 C ATOM 0 H LEU A 51 1.030 -1.045 -5.445 1.00 5.24 H new ATOM 0 HA LEU A 51 -0.872 0.516 -3.932 1.00 74.22 H new ATOM 0 HB2 LEU A 51 1.713 1.410 -5.266 1.00 65.34 H new ATOM 0 HB3 LEU A 51 0.838 2.260 -4.007 1.00 65.34 H new ATOM 0 HG LEU A 51 2.293 -0.388 -3.698 1.00 33.13 H new ATOM 0 HD11 LEU A 51 3.868 0.929 -2.240 1.00 21.41 H new ATOM 0 HD12 LEU A 51 3.839 1.533 -3.913 1.00 21.41 H new ATOM 0 HD13 LEU A 51 2.960 2.407 -2.636 1.00 21.41 H new ATOM 0 HD21 LEU A 51 1.934 -0.188 -1.245 1.00 14.53 H new ATOM 0 HD22 LEU A 51 0.890 1.226 -1.528 1.00 14.53 H new ATOM 0 HD23 LEU A 51 0.410 -0.373 -2.146 1.00 14.53 H new ATOM 816 N ASN A 52 -0.754 0.891 -7.185 1.00 33.11 N ATOM 817 CA ASN A 52 -1.508 1.455 -8.332 1.00 74.44 C ATOM 818 C ASN A 52 -2.992 1.070 -8.228 1.00 4.41 C ATOM 819 O ASN A 52 -3.872 1.936 -8.369 1.00 40.21 O ATOM 820 CB ASN A 52 -0.926 1.021 -9.708 1.00 34.02 C ATOM 821 CG ASN A 52 0.282 1.849 -10.144 1.00 72.53 C ATOM 822 OD1 ASN A 52 1.095 2.286 -9.329 1.00 44.21 O ATOM 823 ND2 ASN A 52 0.386 2.093 -11.436 1.00 24.13 N ATOM 0 H ASN A 52 -0.098 0.154 -7.443 1.00 33.11 H new ATOM 0 HA ASN A 52 -1.408 2.539 -8.280 1.00 74.44 H new ATOM 0 HB2 ASN A 52 -0.638 -0.029 -9.658 1.00 34.02 H new ATOM 0 HB3 ASN A 52 -1.705 1.102 -10.466 1.00 34.02 H new ATOM 0 HD21 ASN A 52 1.158 2.660 -11.788 1.00 24.13 H new ATOM 0 HD22 ASN A 52 -0.306 1.715 -12.084 1.00 24.13 H new ATOM 830 N ILE A 53 -3.241 -0.230 -7.925 1.00 75.44 N ATOM 831 CA ILE A 53 -4.602 -0.779 -7.705 1.00 33.43 C ATOM 832 C ILE A 53 -5.265 -0.022 -6.541 1.00 60.24 C ATOM 833 O ILE A 53 -6.429 0.383 -6.641 1.00 14.13 O ATOM 834 CB ILE A 53 -4.591 -2.342 -7.395 1.00 25.43 C ATOM 835 CG1 ILE A 53 -4.207 -3.170 -8.675 1.00 70.22 C ATOM 836 CG2 ILE A 53 -5.946 -2.833 -6.795 1.00 50.11 C ATOM 837 CD1 ILE A 53 -4.019 -4.665 -8.442 1.00 4.24 C ATOM 0 H ILE A 53 -2.502 -0.927 -7.827 1.00 75.44 H new ATOM 0 HA ILE A 53 -5.168 -0.642 -8.626 1.00 33.43 H new ATOM 0 HB ILE A 53 -3.826 -2.511 -6.637 1.00 25.43 H new ATOM 0 HG12 ILE A 53 -4.984 -3.029 -9.427 1.00 70.22 H new ATOM 0 HG13 ILE A 53 -3.285 -2.763 -9.089 1.00 70.22 H new ATOM 0 HG21 ILE A 53 -5.891 -3.904 -6.600 1.00 50.11 H new ATOM 0 HG22 ILE A 53 -6.144 -2.304 -5.863 1.00 50.11 H new ATOM 0 HG23 ILE A 53 -6.751 -2.634 -7.503 1.00 50.11 H new ATOM 0 HD11 ILE A 53 -3.756 -5.150 -9.382 1.00 4.24 H new ATOM 0 HD12 ILE A 53 -3.220 -4.823 -7.717 1.00 4.24 H new ATOM 0 HD13 ILE A 53 -4.946 -5.093 -8.060 1.00 4.24 H new ATOM 849 N ALA A 54 -4.469 0.200 -5.470 1.00 34.43 N ATOM 850 CA ALA A 54 -4.903 0.909 -4.259 1.00 55.11 C ATOM 851 C ALA A 54 -5.397 2.326 -4.594 1.00 61.02 C ATOM 852 O ALA A 54 -6.544 2.649 -4.295 1.00 73.13 O ATOM 853 CB ALA A 54 -3.762 0.948 -3.231 1.00 23.34 C ATOM 0 H ALA A 54 -3.499 -0.114 -5.428 1.00 34.43 H new ATOM 0 HA ALA A 54 -5.741 0.366 -3.823 1.00 55.11 H new ATOM 0 HB1 ALA A 54 -4.095 1.476 -2.337 1.00 23.34 H new ATOM 0 HB2 ALA A 54 -3.476 -0.070 -2.966 1.00 23.34 H new ATOM 0 HB3 ALA A 54 -2.904 1.466 -3.659 1.00 23.34 H new ATOM 859 N GLU A 55 -4.545 3.117 -5.297 1.00 44.41 N ATOM 860 CA GLU A 55 -4.818 4.543 -5.594 1.00 41.24 C ATOM 861 C GLU A 55 -6.049 4.698 -6.495 1.00 31.32 C ATOM 862 O GLU A 55 -6.922 5.528 -6.214 1.00 31.44 O ATOM 863 CB GLU A 55 -3.595 5.223 -6.255 1.00 24.41 C ATOM 864 CG GLU A 55 -3.828 6.690 -6.697 1.00 12.23 C ATOM 865 CD GLU A 55 -2.612 7.296 -7.398 1.00 21.22 C ATOM 866 OE1 GLU A 55 -1.706 7.812 -6.717 1.00 32.05 O ATOM 867 OE2 GLU A 55 -2.544 7.233 -8.642 1.00 12.02 O ATOM 0 H GLU A 55 -3.656 2.784 -5.670 1.00 44.41 H new ATOM 0 HA GLU A 55 -5.019 5.036 -4.643 1.00 41.24 H new ATOM 0 HB2 GLU A 55 -2.760 5.197 -5.555 1.00 24.41 H new ATOM 0 HB3 GLU A 55 -3.299 4.638 -7.126 1.00 24.41 H new ATOM 0 HG2 GLU A 55 -4.686 6.731 -7.367 1.00 12.23 H new ATOM 0 HG3 GLU A 55 -4.077 7.293 -5.824 1.00 12.23 H new ATOM 874 N LYS A 56 -6.127 3.866 -7.549 1.00 62.35 N ATOM 875 CA LYS A 56 -7.216 3.953 -8.540 1.00 32.02 C ATOM 876 C LYS A 56 -8.551 3.553 -7.884 1.00 74.33 C ATOM 877 O LYS A 56 -9.614 4.076 -8.242 1.00 54.55 O ATOM 878 CB LYS A 56 -6.923 3.094 -9.807 1.00 74.11 C ATOM 879 CG LYS A 56 -5.675 3.538 -10.622 1.00 1.12 C ATOM 880 CD LYS A 56 -5.704 5.041 -11.010 1.00 44.21 C ATOM 881 CE LYS A 56 -4.421 5.506 -11.724 1.00 15.01 C ATOM 882 NZ LYS A 56 -3.206 5.337 -10.872 1.00 2.43 N ATOM 0 H LYS A 56 -5.450 3.126 -7.737 1.00 62.35 H new ATOM 0 HA LYS A 56 -7.287 4.987 -8.878 1.00 32.02 H new ATOM 0 HB2 LYS A 56 -6.790 2.056 -9.502 1.00 74.11 H new ATOM 0 HB3 LYS A 56 -7.796 3.125 -10.460 1.00 74.11 H new ATOM 0 HG2 LYS A 56 -4.777 3.337 -10.038 1.00 1.12 H new ATOM 0 HG3 LYS A 56 -5.607 2.936 -11.528 1.00 1.12 H new ATOM 0 HD2 LYS A 56 -6.561 5.226 -11.658 1.00 44.21 H new ATOM 0 HD3 LYS A 56 -5.849 5.639 -10.111 1.00 44.21 H new ATOM 0 HE2 LYS A 56 -4.296 4.940 -12.647 1.00 15.01 H new ATOM 0 HE3 LYS A 56 -4.523 6.555 -12.004 1.00 15.01 H new ATOM 0 HZ1 LYS A 56 -2.381 5.740 -11.360 1.00 2.43 H new ATOM 0 HZ2 LYS A 56 -3.346 5.828 -9.966 1.00 2.43 H new ATOM 0 HZ3 LYS A 56 -3.043 4.325 -10.696 1.00 2.43 H new ATOM 896 N ALA A 57 -8.464 2.654 -6.892 1.00 23.31 N ATOM 897 CA ALA A 57 -9.614 2.218 -6.094 1.00 52.52 C ATOM 898 C ALA A 57 -9.998 3.278 -5.037 1.00 21.20 C ATOM 899 O ALA A 57 -11.155 3.309 -4.602 1.00 44.53 O ATOM 900 CB ALA A 57 -9.320 0.870 -5.435 1.00 32.43 C ATOM 0 H ALA A 57 -7.588 2.208 -6.621 1.00 23.31 H new ATOM 0 HA ALA A 57 -10.467 2.099 -6.762 1.00 52.52 H new ATOM 0 HB1 ALA A 57 -10.182 0.558 -4.845 1.00 32.43 H new ATOM 0 HB2 ALA A 57 -9.118 0.125 -6.205 1.00 32.43 H new ATOM 0 HB3 ALA A 57 -8.451 0.965 -4.784 1.00 32.43 H new ATOM 906 N LEU A 58 -9.014 4.128 -4.601 1.00 44.05 N ATOM 907 CA LEU A 58 -9.308 5.295 -3.725 1.00 2.02 C ATOM 908 C LEU A 58 -10.174 6.296 -4.514 1.00 72.04 C ATOM 909 O LEU A 58 -11.139 6.840 -3.973 1.00 63.30 O ATOM 910 CB LEU A 58 -8.031 6.061 -3.188 1.00 43.53 C ATOM 911 CG LEU A 58 -6.802 5.261 -2.521 1.00 42.14 C ATOM 912 CD1 LEU A 58 -5.640 6.194 -2.034 1.00 44.44 C ATOM 913 CD2 LEU A 58 -7.175 4.283 -1.365 1.00 24.10 C ATOM 0 H LEU A 58 -8.028 4.023 -4.841 1.00 44.05 H new ATOM 0 HA LEU A 58 -9.817 4.893 -2.849 1.00 2.02 H new ATOM 0 HB2 LEU A 58 -7.625 6.630 -4.024 1.00 43.53 H new ATOM 0 HB3 LEU A 58 -8.379 6.784 -2.450 1.00 43.53 H new ATOM 0 HG LEU A 58 -6.460 4.652 -3.358 1.00 42.14 H new ATOM 0 HD11 LEU A 58 -4.847 5.589 -1.596 1.00 44.44 H new ATOM 0 HD12 LEU A 58 -5.244 6.754 -2.881 1.00 44.44 H new ATOM 0 HD13 LEU A 58 -6.021 6.889 -1.286 1.00 44.44 H new ATOM 0 HD21 LEU A 58 -6.272 3.800 -0.992 1.00 24.10 H new ATOM 0 HD22 LEU A 58 -7.650 4.839 -0.557 1.00 24.10 H new ATOM 0 HD23 LEU A 58 -7.864 3.525 -1.738 1.00 24.10 H new ATOM 925 N ASP A 59 -9.805 6.521 -5.808 1.00 14.45 N ATOM 926 CA ASP A 59 -10.551 7.427 -6.715 1.00 0.23 C ATOM 927 C ASP A 59 -11.996 6.938 -6.898 1.00 4.14 C ATOM 928 O ASP A 59 -12.947 7.724 -6.810 1.00 31.54 O ATOM 929 CB ASP A 59 -9.890 7.539 -8.122 1.00 60.00 C ATOM 930 CG ASP A 59 -8.448 8.064 -8.093 1.00 4.33 C ATOM 931 OD1 ASP A 59 -8.239 9.237 -7.728 1.00 33.23 O ATOM 932 OD2 ASP A 59 -7.517 7.319 -8.443 1.00 3.14 O ATOM 0 H ASP A 59 -8.992 6.083 -6.242 1.00 14.45 H new ATOM 0 HA ASP A 59 -10.536 8.410 -6.244 1.00 0.23 H new ATOM 0 HB2 ASP A 59 -9.899 6.557 -8.596 1.00 60.00 H new ATOM 0 HB3 ASP A 59 -10.494 8.199 -8.745 1.00 60.00 H new ATOM 937 N ASN A 60 -12.147 5.618 -7.140 1.00 61.13 N ATOM 938 CA ASN A 60 -13.470 4.990 -7.354 1.00 22.42 C ATOM 939 C ASN A 60 -14.192 4.755 -6.004 1.00 33.33 C ATOM 940 O ASN A 60 -15.413 4.581 -5.984 1.00 74.41 O ATOM 941 CB ASN A 60 -13.322 3.665 -8.182 1.00 44.12 C ATOM 942 CG ASN A 60 -14.665 3.063 -8.630 1.00 41.31 C ATOM 943 OD1 ASN A 60 -15.189 3.386 -9.695 1.00 63.12 O ATOM 944 ND2 ASN A 60 -15.236 2.190 -7.822 1.00 5.31 N ATOM 0 H ASN A 60 -11.366 4.964 -7.192 1.00 61.13 H new ATOM 0 HA ASN A 60 -14.092 5.671 -7.936 1.00 22.42 H new ATOM 0 HB2 ASN A 60 -12.711 3.864 -9.063 1.00 44.12 H new ATOM 0 HB3 ASN A 60 -12.786 2.930 -7.582 1.00 44.12 H new ATOM 0 HD21 ASN A 60 -16.130 1.769 -8.076 1.00 5.31 H new ATOM 0 HD22 ASN A 60 -14.784 1.936 -6.944 1.00 5.31 H new ATOM 951 N SER A 61 -13.425 4.823 -4.874 1.00 65.42 N ATOM 952 CA SER A 61 -13.959 4.720 -3.505 1.00 54.00 C ATOM 953 C SER A 61 -14.832 3.462 -3.296 1.00 45.24 C ATOM 954 O SER A 61 -16.046 3.572 -3.058 1.00 33.53 O ATOM 955 CB SER A 61 -14.697 6.030 -3.122 1.00 30.44 C ATOM 956 OG SER A 61 -15.125 6.024 -1.765 1.00 53.45 O ATOM 0 H SER A 61 -12.414 4.952 -4.902 1.00 65.42 H new ATOM 0 HA SER A 61 -13.116 4.595 -2.825 1.00 54.00 H new ATOM 0 HB2 SER A 61 -14.036 6.881 -3.290 1.00 30.44 H new ATOM 0 HB3 SER A 61 -15.560 6.163 -3.774 1.00 30.44 H new ATOM 0 HG SER A 61 -15.584 6.866 -1.563 1.00 53.45 H new ATOM 962 N GLU A 62 -14.229 2.263 -3.476 1.00 10.12 N ATOM 963 CA GLU A 62 -14.950 0.985 -3.265 1.00 31.15 C ATOM 964 C GLU A 62 -15.298 0.777 -1.768 1.00 4.23 C ATOM 965 O GLU A 62 -16.476 0.854 -1.420 1.00 61.35 O ATOM 966 CB GLU A 62 -14.179 -0.225 -3.885 1.00 24.11 C ATOM 967 CG GLU A 62 -14.332 -0.344 -5.412 1.00 31.13 C ATOM 968 CD GLU A 62 -15.789 -0.614 -5.842 1.00 72.13 C ATOM 969 OE1 GLU A 62 -16.532 0.338 -6.146 1.00 54.00 O ATOM 970 OE2 GLU A 62 -16.212 -1.786 -5.867 1.00 34.13 O ATOM 0 H GLU A 62 -13.256 2.154 -3.763 1.00 10.12 H new ATOM 0 HA GLU A 62 -15.898 1.043 -3.800 1.00 31.15 H new ATOM 0 HB2 GLU A 62 -13.121 -0.132 -3.642 1.00 24.11 H new ATOM 0 HB3 GLU A 62 -14.533 -1.146 -3.421 1.00 24.11 H new ATOM 0 HG2 GLU A 62 -13.983 0.576 -5.881 1.00 31.13 H new ATOM 0 HG3 GLU A 62 -13.694 -1.150 -5.776 1.00 31.13 H new ATOM 977 N TYR A 63 -14.282 0.591 -0.897 1.00 65.33 N ATOM 978 CA TYR A 63 -14.422 0.518 0.582 1.00 50.23 C ATOM 979 C TYR A 63 -13.011 0.629 1.206 1.00 44.45 C ATOM 980 O TYR A 63 -12.005 0.285 0.569 1.00 51.33 O ATOM 981 CB TYR A 63 -15.086 -0.808 1.100 1.00 41.55 C ATOM 982 CG TYR A 63 -16.614 -0.918 0.976 1.00 72.43 C ATOM 983 CD1 TYR A 63 -17.451 -0.107 1.738 1.00 10.10 C ATOM 984 CD2 TYR A 63 -17.212 -1.853 0.118 1.00 13.32 C ATOM 985 CE1 TYR A 63 -18.820 -0.212 1.640 1.00 51.32 C ATOM 986 CE2 TYR A 63 -18.580 -1.954 0.017 1.00 71.43 C ATOM 987 CZ TYR A 63 -19.379 -1.138 0.789 1.00 12.24 C ATOM 988 OH TYR A 63 -20.746 -1.242 0.705 1.00 31.20 O ATOM 0 H TYR A 63 -13.316 0.484 -1.206 1.00 65.33 H new ATOM 0 HA TYR A 63 -15.081 1.335 0.877 1.00 50.23 H new ATOM 0 HB2 TYR A 63 -14.641 -1.643 0.559 1.00 41.55 H new ATOM 0 HB3 TYR A 63 -14.822 -0.931 2.150 1.00 41.55 H new ATOM 0 HD1 TYR A 63 -17.020 0.615 2.416 1.00 10.10 H new ATOM 0 HD2 TYR A 63 -16.587 -2.505 -0.474 1.00 13.32 H new ATOM 0 HE1 TYR A 63 -19.455 0.432 2.230 1.00 51.32 H new ATOM 0 HE2 TYR A 63 -19.025 -2.667 -0.662 1.00 71.43 H new ATOM 0 HH TYR A 63 -20.982 -1.941 0.060 1.00 31.20 H new ATOM 998 N LEU A 64 -12.975 0.962 2.503 1.00 75.15 N ATOM 999 CA LEU A 64 -11.692 1.152 3.256 1.00 34.11 C ATOM 1000 C LEU A 64 -11.116 -0.251 3.599 1.00 0.51 C ATOM 1001 O LEU A 64 -9.958 -0.515 3.263 1.00 70.23 O ATOM 1002 CB LEU A 64 -11.786 2.070 4.570 1.00 12.10 C ATOM 1003 CG LEU A 64 -11.440 3.635 4.541 1.00 22.31 C ATOM 1004 CD1 LEU A 64 -9.940 3.931 4.239 1.00 21.14 C ATOM 1005 CD2 LEU A 64 -12.378 4.519 3.665 1.00 34.22 C ATOM 0 H LEU A 64 -13.811 1.109 3.068 1.00 75.15 H new ATOM 0 HA LEU A 64 -11.027 1.712 2.599 1.00 34.11 H new ATOM 0 HB2 LEU A 64 -12.806 1.981 4.943 1.00 12.10 H new ATOM 0 HB3 LEU A 64 -11.133 1.618 5.316 1.00 12.10 H new ATOM 0 HG LEU A 64 -11.641 3.940 5.568 1.00 22.31 H new ATOM 0 HD11 LEU A 64 -9.776 5.009 4.234 1.00 21.14 H new ATOM 0 HD12 LEU A 64 -9.317 3.472 5.007 1.00 21.14 H new ATOM 0 HD13 LEU A 64 -9.677 3.520 3.264 1.00 21.14 H new ATOM 0 HD21 LEU A 64 -12.053 5.558 3.718 1.00 34.22 H new ATOM 0 HD22 LEU A 64 -12.337 4.178 2.630 1.00 34.22 H new ATOM 0 HD23 LEU A 64 -13.401 4.440 4.033 1.00 34.22 H new ATOM 1017 N PRO A 65 -11.921 -1.205 4.229 1.00 43.14 N ATOM 1018 CA PRO A 65 -11.441 -2.582 4.474 1.00 43.21 C ATOM 1019 C PRO A 65 -11.251 -3.359 3.159 1.00 62.23 C ATOM 1020 O PRO A 65 -10.514 -4.336 3.143 1.00 2.23 O ATOM 1021 CB PRO A 65 -12.553 -3.211 5.357 1.00 74.13 C ATOM 1022 CG PRO A 65 -13.793 -2.455 4.994 1.00 40.25 C ATOM 1023 CD PRO A 65 -13.326 -1.042 4.741 1.00 72.22 C ATOM 0 HA PRO A 65 -10.463 -2.605 4.955 1.00 43.21 H new ATOM 0 HB2 PRO A 65 -12.665 -4.276 5.156 1.00 74.13 H new ATOM 0 HB3 PRO A 65 -12.323 -3.110 6.418 1.00 74.13 H new ATOM 0 HG2 PRO A 65 -14.269 -2.878 4.109 1.00 40.25 H new ATOM 0 HG3 PRO A 65 -14.527 -2.490 5.799 1.00 40.25 H new ATOM 0 HD2 PRO A 65 -13.960 -0.537 4.012 1.00 72.22 H new ATOM 0 HD3 PRO A 65 -13.351 -0.445 5.652 1.00 72.22 H new ATOM 1031 N LYS A 66 -11.875 -2.891 2.044 1.00 42.35 N ATOM 1032 CA LYS A 66 -11.708 -3.547 0.736 1.00 1.05 C ATOM 1033 C LYS A 66 -10.281 -3.306 0.244 1.00 21.20 C ATOM 1034 O LYS A 66 -9.581 -4.256 -0.083 1.00 24.21 O ATOM 1035 CB LYS A 66 -12.756 -3.055 -0.313 1.00 43.54 C ATOM 1036 CG LYS A 66 -12.457 -3.447 -1.783 1.00 22.21 C ATOM 1037 CD LYS A 66 -12.487 -4.977 -2.023 1.00 15.04 C ATOM 1038 CE LYS A 66 -11.942 -5.363 -3.405 1.00 45.03 C ATOM 1039 NZ LYS A 66 -12.094 -6.814 -3.678 1.00 12.33 N ATOM 0 H LYS A 66 -12.487 -2.075 2.032 1.00 42.35 H new ATOM 0 HA LYS A 66 -11.882 -4.616 0.859 1.00 1.05 H new ATOM 0 HB2 LYS A 66 -13.733 -3.453 -0.040 1.00 43.54 H new ATOM 0 HB3 LYS A 66 -12.825 -1.969 -0.251 1.00 43.54 H new ATOM 0 HG2 LYS A 66 -13.187 -2.969 -2.436 1.00 22.21 H new ATOM 0 HG3 LYS A 66 -11.477 -3.061 -2.064 1.00 22.21 H new ATOM 0 HD2 LYS A 66 -11.899 -5.475 -1.252 1.00 15.04 H new ATOM 0 HD3 LYS A 66 -13.511 -5.337 -1.926 1.00 15.04 H new ATOM 0 HE2 LYS A 66 -12.465 -4.793 -4.173 1.00 45.03 H new ATOM 0 HE3 LYS A 66 -10.888 -5.091 -3.468 1.00 45.03 H new ATOM 0 HZ1 LYS A 66 -11.713 -7.032 -4.621 1.00 12.33 H new ATOM 0 HZ2 LYS A 66 -11.574 -7.359 -2.961 1.00 12.33 H new ATOM 0 HZ3 LYS A 66 -13.101 -7.070 -3.644 1.00 12.33 H new ATOM 1053 N ILE A 67 -9.856 -2.029 0.250 1.00 34.01 N ATOM 1054 CA ILE A 67 -8.541 -1.636 -0.281 1.00 21.13 C ATOM 1055 C ILE A 67 -7.413 -2.111 0.638 1.00 55.34 C ATOM 1056 O ILE A 67 -6.380 -2.570 0.155 1.00 13.44 O ATOM 1057 CB ILE A 67 -8.472 -0.086 -0.489 1.00 54.22 C ATOM 1058 CG1 ILE A 67 -9.631 0.346 -1.432 1.00 32.24 C ATOM 1059 CG2 ILE A 67 -7.087 0.360 -1.042 1.00 13.53 C ATOM 1060 CD1 ILE A 67 -9.695 1.818 -1.739 1.00 62.02 C ATOM 0 H ILE A 67 -10.406 -1.252 0.617 1.00 34.01 H new ATOM 0 HA ILE A 67 -8.409 -2.119 -1.249 1.00 21.13 H new ATOM 0 HB ILE A 67 -8.589 0.409 0.475 1.00 54.22 H new ATOM 0 HG12 ILE A 67 -9.537 -0.200 -2.370 1.00 32.24 H new ATOM 0 HG13 ILE A 67 -10.576 0.044 -0.981 1.00 32.24 H new ATOM 0 HG21 ILE A 67 -7.079 1.442 -1.173 1.00 13.53 H new ATOM 0 HG22 ILE A 67 -6.305 0.074 -0.339 1.00 13.53 H new ATOM 0 HG23 ILE A 67 -6.906 -0.123 -2.002 1.00 13.53 H new ATOM 0 HD11 ILE A 67 -10.537 2.015 -2.403 1.00 62.02 H new ATOM 0 HD12 ILE A 67 -9.825 2.378 -0.813 1.00 62.02 H new ATOM 0 HD13 ILE A 67 -8.770 2.129 -2.224 1.00 62.02 H new ATOM 1072 N ILE A 68 -7.660 -2.042 1.953 1.00 33.22 N ATOM 1073 CA ILE A 68 -6.667 -2.412 2.970 1.00 4.21 C ATOM 1074 C ILE A 68 -6.429 -3.931 2.957 1.00 12.14 C ATOM 1075 O ILE A 68 -5.278 -4.362 2.950 1.00 71.12 O ATOM 1076 CB ILE A 68 -7.091 -1.936 4.405 1.00 23.24 C ATOM 1077 CG1 ILE A 68 -6.996 -0.378 4.521 1.00 64.31 C ATOM 1078 CG2 ILE A 68 -6.245 -2.624 5.511 1.00 5.32 C ATOM 1079 CD1 ILE A 68 -7.644 0.187 5.763 1.00 44.31 C ATOM 0 H ILE A 68 -8.550 -1.729 2.340 1.00 33.22 H new ATOM 0 HA ILE A 68 -5.736 -1.903 2.719 1.00 4.21 H new ATOM 0 HB ILE A 68 -8.129 -2.232 4.556 1.00 23.24 H new ATOM 0 HG12 ILE A 68 -5.946 -0.086 4.507 1.00 64.31 H new ATOM 0 HG13 ILE A 68 -7.463 0.070 3.644 1.00 64.31 H new ATOM 0 HG21 ILE A 68 -6.568 -2.269 6.490 1.00 5.32 H new ATOM 0 HG22 ILE A 68 -6.381 -3.704 5.454 1.00 5.32 H new ATOM 0 HG23 ILE A 68 -5.192 -2.382 5.367 1.00 5.32 H new ATOM 0 HD11 ILE A 68 -7.535 1.272 5.769 1.00 44.31 H new ATOM 0 HD12 ILE A 68 -8.703 -0.072 5.771 1.00 44.31 H new ATOM 0 HD13 ILE A 68 -7.162 -0.231 6.647 1.00 44.31 H new ATOM 1091 N LEU A 69 -7.524 -4.726 2.907 1.00 10.11 N ATOM 1092 CA LEU A 69 -7.426 -6.207 2.967 1.00 22.03 C ATOM 1093 C LEU A 69 -6.901 -6.741 1.627 1.00 62.32 C ATOM 1094 O LEU A 69 -6.184 -7.726 1.612 1.00 61.41 O ATOM 1095 CB LEU A 69 -8.776 -6.908 3.341 1.00 2.21 C ATOM 1096 CG LEU A 69 -9.286 -6.776 4.858 1.00 71.14 C ATOM 1097 CD1 LEU A 69 -10.474 -7.731 5.203 1.00 71.23 C ATOM 1098 CD2 LEU A 69 -8.137 -6.933 5.901 1.00 71.54 C ATOM 0 H LEU A 69 -8.477 -4.373 2.826 1.00 10.11 H new ATOM 0 HA LEU A 69 -6.729 -6.447 3.770 1.00 22.03 H new ATOM 0 HB2 LEU A 69 -9.553 -6.510 2.689 1.00 2.21 H new ATOM 0 HB3 LEU A 69 -8.679 -7.969 3.110 1.00 2.21 H new ATOM 0 HG LEU A 69 -9.664 -5.756 4.929 1.00 71.14 H new ATOM 0 HD11 LEU A 69 -10.766 -7.587 6.243 1.00 71.23 H new ATOM 0 HD12 LEU A 69 -11.321 -7.507 4.554 1.00 71.23 H new ATOM 0 HD13 LEU A 69 -10.165 -8.765 5.052 1.00 71.23 H new ATOM 0 HD21 LEU A 69 -8.543 -6.834 6.908 1.00 71.54 H new ATOM 0 HD22 LEU A 69 -7.677 -7.915 5.790 1.00 71.54 H new ATOM 0 HD23 LEU A 69 -7.387 -6.160 5.735 1.00 71.54 H new ATOM 1110 N ASN A 70 -7.249 -6.056 0.522 1.00 4.31 N ATOM 1111 CA ASN A 70 -6.788 -6.423 -0.837 1.00 61.33 C ATOM 1112 C ASN A 70 -5.288 -6.100 -1.019 1.00 3.23 C ATOM 1113 O ASN A 70 -4.549 -6.886 -1.622 1.00 40.32 O ATOM 1114 CB ASN A 70 -7.663 -5.725 -1.916 1.00 63.31 C ATOM 1115 CG ASN A 70 -7.203 -5.974 -3.351 1.00 21.44 C ATOM 1116 OD1 ASN A 70 -7.589 -6.955 -3.978 1.00 41.54 O ATOM 1117 ND2 ASN A 70 -6.376 -5.091 -3.887 1.00 15.22 N ATOM 0 H ASN A 70 -7.855 -5.236 0.542 1.00 4.31 H new ATOM 0 HA ASN A 70 -6.903 -7.500 -0.963 1.00 61.33 H new ATOM 0 HB2 ASN A 70 -8.692 -6.069 -1.811 1.00 63.31 H new ATOM 0 HB3 ASN A 70 -7.665 -4.651 -1.728 1.00 63.31 H new ATOM 0 HD21 ASN A 70 -6.044 -5.218 -4.843 1.00 15.22 H new ATOM 0 HD22 ASN A 70 -6.070 -4.284 -3.344 1.00 15.22 H new ATOM 1124 N LEU A 71 -4.842 -4.965 -0.446 1.00 21.54 N ATOM 1125 CA LEU A 71 -3.430 -4.529 -0.506 1.00 42.33 C ATOM 1126 C LEU A 71 -2.621 -5.475 0.410 1.00 20.51 C ATOM 1127 O LEU A 71 -1.526 -5.920 0.064 1.00 44.50 O ATOM 1128 CB LEU A 71 -3.306 -3.025 -0.060 1.00 61.23 C ATOM 1129 CG LEU A 71 -2.171 -2.152 -0.700 1.00 53.52 C ATOM 1130 CD1 LEU A 71 -2.292 -0.680 -0.244 1.00 1.44 C ATOM 1131 CD2 LEU A 71 -0.761 -2.690 -0.400 1.00 21.34 C ATOM 0 H LEU A 71 -5.447 -4.326 0.070 1.00 21.54 H new ATOM 0 HA LEU A 71 -3.039 -4.583 -1.522 1.00 42.33 H new ATOM 0 HB2 LEU A 71 -4.258 -2.537 -0.268 1.00 61.23 H new ATOM 0 HB3 LEU A 71 -3.169 -3.009 1.021 1.00 61.23 H new ATOM 0 HG LEU A 71 -2.309 -2.207 -1.780 1.00 53.52 H new ATOM 0 HD11 LEU A 71 -1.495 -0.091 -0.699 1.00 1.44 H new ATOM 0 HD12 LEU A 71 -3.259 -0.282 -0.552 1.00 1.44 H new ATOM 0 HD13 LEU A 71 -2.207 -0.627 0.841 1.00 1.44 H new ATOM 0 HD21 LEU A 71 -0.018 -2.045 -0.869 1.00 21.34 H new ATOM 0 HD22 LEU A 71 -0.599 -2.706 0.678 1.00 21.34 H new ATOM 0 HD23 LEU A 71 -0.665 -3.701 -0.796 1.00 21.34 H new ATOM 1143 N ARG A 72 -3.238 -5.819 1.550 1.00 24.51 N ATOM 1144 CA ARG A 72 -2.659 -6.742 2.539 1.00 40.12 C ATOM 1145 C ARG A 72 -2.693 -8.189 1.994 1.00 32.33 C ATOM 1146 O ARG A 72 -1.857 -8.993 2.372 1.00 75.00 O ATOM 1147 CB ARG A 72 -3.383 -6.620 3.929 1.00 23.10 C ATOM 1148 CG ARG A 72 -2.705 -7.388 5.075 1.00 55.21 C ATOM 1149 CD ARG A 72 -3.459 -7.228 6.410 1.00 73.23 C ATOM 1150 NE ARG A 72 -2.681 -7.792 7.519 1.00 62.11 N ATOM 1151 CZ ARG A 72 -3.090 -7.937 8.782 1.00 52.44 C ATOM 1152 NH1 ARG A 72 -4.298 -7.573 9.164 1.00 22.04 N ATOM 1153 NH2 ARG A 72 -2.245 -8.422 9.673 1.00 3.13 N ATOM 0 H ARG A 72 -4.157 -5.463 1.814 1.00 24.51 H new ATOM 0 HA ARG A 72 -1.617 -6.468 2.706 1.00 40.12 H new ATOM 0 HB2 ARG A 72 -3.443 -5.566 4.201 1.00 23.10 H new ATOM 0 HB3 ARG A 72 -4.406 -6.980 3.823 1.00 23.10 H new ATOM 0 HG2 ARG A 72 -2.647 -8.445 4.817 1.00 55.21 H new ATOM 0 HG3 ARG A 72 -1.682 -7.032 5.193 1.00 55.21 H new ATOM 0 HD2 ARG A 72 -3.655 -6.172 6.598 1.00 73.23 H new ATOM 0 HD3 ARG A 72 -4.427 -7.726 6.348 1.00 73.23 H new ATOM 0 HE ARG A 72 -1.734 -8.104 7.304 1.00 62.11 H new ATOM 0 HH11 ARG A 72 -4.947 -7.169 8.488 1.00 22.04 H new ATOM 0 HH12 ARG A 72 -4.584 -7.695 10.135 1.00 22.04 H new ATOM 0 HH21 ARG A 72 -1.299 -8.678 9.392 1.00 3.13 H new ATOM 0 HH22 ARG A 72 -2.538 -8.540 10.643 1.00 3.13 H new ATOM 1167 N LYS A 73 -3.625 -8.492 1.055 1.00 2.13 N ATOM 1168 CA LYS A 73 -3.731 -9.823 0.431 1.00 14.13 C ATOM 1169 C LYS A 73 -2.684 -9.929 -0.679 1.00 23.12 C ATOM 1170 O LYS A 73 -2.239 -11.024 -1.021 1.00 35.33 O ATOM 1171 CB LYS A 73 -5.180 -10.068 -0.113 1.00 51.22 C ATOM 1172 CG LYS A 73 -5.549 -11.546 -0.458 1.00 2.11 C ATOM 1173 CD LYS A 73 -5.188 -11.973 -1.899 1.00 52.22 C ATOM 1174 CE LYS A 73 -5.472 -13.455 -2.158 1.00 41.32 C ATOM 1175 NZ LYS A 73 -5.094 -13.859 -3.533 1.00 51.00 N ATOM 0 H LYS A 73 -4.316 -7.822 0.716 1.00 2.13 H new ATOM 0 HA LYS A 73 -3.539 -10.597 1.173 1.00 14.13 H new ATOM 0 HB2 LYS A 73 -5.890 -9.702 0.629 1.00 51.22 H new ATOM 0 HB3 LYS A 73 -5.316 -9.463 -1.010 1.00 51.22 H new ATOM 0 HG2 LYS A 73 -5.040 -12.208 0.243 1.00 2.11 H new ATOM 0 HG3 LYS A 73 -6.620 -11.685 -0.308 1.00 2.11 H new ATOM 0 HD2 LYS A 73 -5.755 -11.368 -2.607 1.00 52.22 H new ATOM 0 HD3 LYS A 73 -4.132 -11.771 -2.081 1.00 52.22 H new ATOM 0 HE2 LYS A 73 -4.922 -14.061 -1.438 1.00 41.32 H new ATOM 0 HE3 LYS A 73 -6.532 -13.654 -2.000 1.00 41.32 H new ATOM 0 HZ1 LYS A 73 -5.302 -14.869 -3.668 1.00 51.00 H new ATOM 0 HZ2 LYS A 73 -5.637 -13.299 -4.221 1.00 51.00 H new ATOM 0 HZ3 LYS A 73 -4.077 -13.693 -3.677 1.00 51.00 H new ATOM 1189 N ALA A 74 -2.298 -8.769 -1.242 1.00 32.52 N ATOM 1190 CA ALA A 74 -1.230 -8.686 -2.238 1.00 73.05 C ATOM 1191 C ALA A 74 0.157 -8.805 -1.572 1.00 43.05 C ATOM 1192 O ALA A 74 1.034 -9.493 -2.095 1.00 71.14 O ATOM 1193 CB ALA A 74 -1.361 -7.375 -3.038 1.00 21.32 C ATOM 0 H ALA A 74 -2.721 -7.869 -1.015 1.00 32.52 H new ATOM 0 HA ALA A 74 -1.328 -9.522 -2.930 1.00 73.05 H new ATOM 0 HB1 ALA A 74 -0.563 -7.319 -3.778 1.00 21.32 H new ATOM 0 HB2 ALA A 74 -2.327 -7.352 -3.543 1.00 21.32 H new ATOM 0 HB3 ALA A 74 -1.286 -6.525 -2.359 1.00 21.32 H new ATOM 1199 N LEU A 75 0.348 -8.157 -0.394 1.00 62.53 N ATOM 1200 CA LEU A 75 1.689 -8.078 0.249 1.00 63.04 C ATOM 1201 C LEU A 75 1.971 -9.236 1.220 1.00 14.41 C ATOM 1202 O LEU A 75 3.142 -9.564 1.421 1.00 74.25 O ATOM 1203 CB LEU A 75 1.949 -6.717 0.983 1.00 55.41 C ATOM 1204 CG LEU A 75 1.693 -5.363 0.210 1.00 15.43 C ATOM 1205 CD1 LEU A 75 2.381 -4.181 0.933 1.00 21.15 C ATOM 1206 CD2 LEU A 75 2.081 -5.395 -1.299 1.00 1.34 C ATOM 0 H LEU A 75 -0.395 -7.688 0.124 1.00 62.53 H new ATOM 0 HA LEU A 75 2.381 -8.155 -0.590 1.00 63.04 H new ATOM 0 HB2 LEU A 75 1.330 -6.705 1.880 1.00 55.41 H new ATOM 0 HB3 LEU A 75 2.988 -6.715 1.313 1.00 55.41 H new ATOM 0 HG LEU A 75 0.613 -5.220 0.225 1.00 15.43 H new ATOM 0 HD11 LEU A 75 2.192 -3.259 0.384 1.00 21.15 H new ATOM 0 HD12 LEU A 75 1.982 -4.090 1.943 1.00 21.15 H new ATOM 0 HD13 LEU A 75 3.455 -4.360 0.982 1.00 21.15 H new ATOM 0 HD21 LEU A 75 1.872 -4.425 -1.749 1.00 1.34 H new ATOM 0 HD22 LEU A 75 3.143 -5.619 -1.397 1.00 1.34 H new ATOM 0 HD23 LEU A 75 1.500 -6.164 -1.808 1.00 1.34 H new ATOM 1218 N THR A 76 0.925 -9.841 1.827 1.00 1.33 N ATOM 1219 CA THR A 76 1.099 -10.982 2.769 1.00 72.40 C ATOM 1220 C THR A 76 1.836 -12.212 2.123 1.00 32.10 C ATOM 1221 O THR A 76 2.737 -12.759 2.776 1.00 61.23 O ATOM 1222 CB THR A 76 -0.251 -11.407 3.466 1.00 1.12 C ATOM 1223 OG1 THR A 76 -0.638 -10.397 4.414 1.00 45.02 O ATOM 1224 CG2 THR A 76 -0.179 -12.769 4.190 1.00 32.02 C ATOM 0 H THR A 76 -0.046 -9.563 1.686 1.00 1.33 H new ATOM 0 HA THR A 76 1.757 -10.609 3.554 1.00 72.40 H new ATOM 0 HB THR A 76 -0.987 -11.511 2.669 1.00 1.12 H new ATOM 0 HG1 THR A 76 -1.121 -9.681 3.951 1.00 45.02 H new ATOM 0 HG21 THR A 76 -1.145 -12.991 4.644 1.00 32.02 H new ATOM 0 HG22 THR A 76 0.073 -13.550 3.472 1.00 32.02 H new ATOM 0 HG23 THR A 76 0.586 -12.729 4.966 1.00 32.02 H new ATOM 1232 N PRO A 77 1.501 -12.685 0.857 1.00 11.24 N ATOM 1233 CA PRO A 77 2.275 -13.771 0.208 1.00 74.44 C ATOM 1234 C PRO A 77 3.723 -13.365 -0.115 1.00 60.23 C ATOM 1235 O PRO A 77 4.629 -14.175 0.045 1.00 35.02 O ATOM 1236 CB PRO A 77 1.471 -14.101 -1.080 1.00 43.14 C ATOM 1237 CG PRO A 77 0.121 -13.497 -0.863 1.00 73.31 C ATOM 1238 CD PRO A 77 0.356 -12.282 -0.002 1.00 61.11 C ATOM 0 HA PRO A 77 2.383 -14.632 0.868 1.00 74.44 H new ATOM 0 HB2 PRO A 77 1.953 -13.682 -1.963 1.00 43.14 H new ATOM 0 HB3 PRO A 77 1.401 -15.178 -1.236 1.00 43.14 H new ATOM 0 HG2 PRO A 77 -0.343 -13.223 -1.810 1.00 73.31 H new ATOM 0 HG3 PRO A 77 -0.550 -14.202 -0.372 1.00 73.31 H new ATOM 0 HD2 PRO A 77 0.594 -11.404 -0.602 1.00 61.11 H new ATOM 0 HD3 PRO A 77 -0.524 -12.034 0.592 1.00 61.11 H new ATOM 1246 N LEU A 78 3.929 -12.105 -0.552 1.00 52.43 N ATOM 1247 CA LEU A 78 5.291 -11.585 -0.851 1.00 40.33 C ATOM 1248 C LEU A 78 6.078 -11.350 0.461 1.00 14.34 C ATOM 1249 O LEU A 78 7.302 -11.252 0.442 1.00 74.42 O ATOM 1250 CB LEU A 78 5.261 -10.263 -1.694 1.00 44.54 C ATOM 1251 CG LEU A 78 4.285 -10.220 -2.940 1.00 42.02 C ATOM 1252 CD1 LEU A 78 4.293 -8.843 -3.654 1.00 12.23 C ATOM 1253 CD2 LEU A 78 4.575 -11.344 -3.975 1.00 53.40 C ATOM 0 H LEU A 78 3.180 -11.430 -0.706 1.00 52.43 H new ATOM 0 HA LEU A 78 5.792 -12.344 -1.452 1.00 40.33 H new ATOM 0 HB2 LEU A 78 4.993 -9.443 -1.027 1.00 44.54 H new ATOM 0 HB3 LEU A 78 6.272 -10.067 -2.050 1.00 44.54 H new ATOM 0 HG LEU A 78 3.292 -10.389 -2.524 1.00 42.02 H new ATOM 0 HD11 LEU A 78 3.607 -8.868 -4.501 1.00 12.23 H new ATOM 0 HD12 LEU A 78 3.978 -8.069 -2.955 1.00 12.23 H new ATOM 0 HD13 LEU A 78 5.300 -8.623 -4.009 1.00 12.23 H new ATOM 0 HD21 LEU A 78 3.874 -11.263 -4.806 1.00 53.40 H new ATOM 0 HD22 LEU A 78 5.594 -11.241 -4.348 1.00 53.40 H new ATOM 0 HD23 LEU A 78 4.460 -12.317 -3.497 1.00 53.40 H new ATOM 1265 N ALA A 79 5.360 -11.247 1.592 1.00 42.14 N ATOM 1266 CA ALA A 79 5.972 -11.121 2.927 1.00 0.42 C ATOM 1267 C ALA A 79 6.498 -12.490 3.385 1.00 62.43 C ATOM 1268 O ALA A 79 7.694 -12.639 3.663 1.00 64.44 O ATOM 1269 CB ALA A 79 4.960 -10.546 3.931 1.00 14.03 C ATOM 0 H ALA A 79 4.340 -11.249 1.607 1.00 42.14 H new ATOM 0 HA ALA A 79 6.812 -10.429 2.875 1.00 0.42 H new ATOM 0 HB1 ALA A 79 5.429 -10.460 4.911 1.00 14.03 H new ATOM 0 HB2 ALA A 79 4.635 -9.561 3.596 1.00 14.03 H new ATOM 0 HB3 ALA A 79 4.097 -11.209 3.998 1.00 14.03 H new ATOM 1275 N ILE A 80 5.596 -13.498 3.384 1.00 32.24 N ATOM 1276 CA ILE A 80 5.915 -14.890 3.787 1.00 23.22 C ATOM 1277 C ILE A 80 7.021 -15.478 2.884 1.00 35.03 C ATOM 1278 O ILE A 80 7.996 -16.050 3.378 1.00 1.25 O ATOM 1279 CB ILE A 80 4.630 -15.821 3.748 1.00 51.31 C ATOM 1280 CG1 ILE A 80 3.519 -15.303 4.731 1.00 45.14 C ATOM 1281 CG2 ILE A 80 4.993 -17.306 4.041 1.00 53.31 C ATOM 1282 CD1 ILE A 80 2.254 -16.145 4.773 1.00 14.53 C ATOM 0 H ILE A 80 4.624 -13.370 3.103 1.00 32.24 H new ATOM 0 HA ILE A 80 6.275 -14.856 4.815 1.00 23.22 H new ATOM 0 HB ILE A 80 4.225 -15.775 2.737 1.00 51.31 H new ATOM 0 HG12 ILE A 80 3.938 -15.254 5.736 1.00 45.14 H new ATOM 0 HG13 ILE A 80 3.251 -14.285 4.448 1.00 45.14 H new ATOM 0 HG21 ILE A 80 4.090 -17.915 4.006 1.00 53.31 H new ATOM 0 HG22 ILE A 80 5.700 -17.662 3.292 1.00 53.31 H new ATOM 0 HG23 ILE A 80 5.444 -17.382 5.030 1.00 53.31 H new ATOM 0 HD11 ILE A 80 1.549 -15.707 5.479 1.00 14.53 H new ATOM 0 HD12 ILE A 80 1.803 -16.174 3.781 1.00 14.53 H new ATOM 0 HD13 ILE A 80 2.502 -17.158 5.089 1.00 14.53 H new ATOM 1294 N ASN A 81 6.866 -15.285 1.564 1.00 2.15 N ATOM 1295 CA ASN A 81 7.847 -15.729 0.554 1.00 62.42 C ATOM 1296 C ASN A 81 8.991 -14.702 0.392 1.00 64.42 C ATOM 1297 O ASN A 81 9.875 -14.908 -0.443 1.00 60.00 O ATOM 1298 CB ASN A 81 7.157 -16.049 -0.806 1.00 41.54 C ATOM 1299 CG ASN A 81 6.272 -17.293 -0.731 1.00 4.55 C ATOM 1300 OD1 ASN A 81 6.740 -18.410 -0.955 1.00 25.10 O ATOM 1301 ND2 ASN A 81 4.996 -17.122 -0.415 1.00 54.34 N ATOM 0 H ASN A 81 6.054 -14.815 1.163 1.00 2.15 H new ATOM 0 HA ASN A 81 8.295 -16.656 0.912 1.00 62.42 H new ATOM 0 HB2 ASN A 81 6.554 -15.195 -1.114 1.00 41.54 H new ATOM 0 HB3 ASN A 81 7.919 -16.194 -1.572 1.00 41.54 H new ATOM 0 HD21 ASN A 81 4.374 -17.928 -0.352 1.00 54.34 H new ATOM 0 HD22 ASN A 81 4.636 -16.185 -0.235 1.00 54.34 H new ATOM 1308 N ARG A 82 8.953 -13.579 1.177 1.00 74.24 N ATOM 1309 CA ARG A 82 10.152 -12.735 1.484 1.00 21.40 C ATOM 1310 C ARG A 82 10.651 -11.917 0.260 1.00 61.32 C ATOM 1311 O ARG A 82 11.772 -11.406 0.266 1.00 75.43 O ATOM 1312 CB ARG A 82 11.304 -13.629 2.095 1.00 2.11 C ATOM 1313 CG ARG A 82 10.910 -14.400 3.393 1.00 52.32 C ATOM 1314 CD ARG A 82 11.944 -15.461 3.820 1.00 54.20 C ATOM 1315 NE ARG A 82 11.385 -16.362 4.839 1.00 22.40 N ATOM 1316 CZ ARG A 82 11.911 -17.537 5.210 1.00 25.50 C ATOM 1317 NH1 ARG A 82 13.044 -17.977 4.680 1.00 21.33 N ATOM 1318 NH2 ARG A 82 11.280 -18.264 6.115 1.00 65.04 N ATOM 0 H ARG A 82 8.096 -13.237 1.611 1.00 74.24 H new ATOM 0 HA ARG A 82 9.847 -11.997 2.226 1.00 21.40 H new ATOM 0 HB2 ARG A 82 11.624 -14.350 1.343 1.00 2.11 H new ATOM 0 HB3 ARG A 82 12.162 -12.993 2.312 1.00 2.11 H new ATOM 0 HG2 ARG A 82 10.780 -13.685 4.205 1.00 52.32 H new ATOM 0 HG3 ARG A 82 9.946 -14.886 3.239 1.00 52.32 H new ATOM 0 HD2 ARG A 82 12.257 -16.039 2.951 1.00 54.20 H new ATOM 0 HD3 ARG A 82 12.834 -14.969 4.213 1.00 54.20 H new ATOM 0 HE ARG A 82 10.525 -16.068 5.302 1.00 22.40 H new ATOM 0 HH11 ARG A 82 13.529 -17.418 3.978 1.00 21.33 H new ATOM 0 HH12 ARG A 82 13.430 -18.874 4.974 1.00 21.33 H new ATOM 0 HH21 ARG A 82 10.406 -17.928 6.520 1.00 65.04 H new ATOM 0 HH22 ARG A 82 11.667 -19.161 6.409 1.00 65.04 H new ATOM 1332 N THR A 83 9.780 -11.740 -0.742 1.00 43.23 N ATOM 1333 CA THR A 83 10.110 -11.070 -2.019 1.00 0.04 C ATOM 1334 C THR A 83 9.729 -9.577 -1.988 1.00 64.54 C ATOM 1335 O THR A 83 10.138 -8.816 -2.875 1.00 15.33 O ATOM 1336 CB THR A 83 9.366 -11.766 -3.205 1.00 65.43 C ATOM 1337 OG1 THR A 83 7.951 -11.784 -2.952 1.00 13.24 O ATOM 1338 CG2 THR A 83 9.848 -13.207 -3.430 1.00 2.25 C ATOM 0 H THR A 83 8.813 -12.060 -0.694 1.00 43.23 H new ATOM 0 HA THR A 83 11.188 -11.151 -2.161 1.00 0.04 H new ATOM 0 HB THR A 83 9.588 -11.190 -4.103 1.00 65.43 H new ATOM 0 HG1 THR A 83 7.491 -12.220 -3.699 1.00 13.24 H new ATOM 0 HG21 THR A 83 9.302 -13.647 -4.264 1.00 2.25 H new ATOM 0 HG22 THR A 83 10.914 -13.203 -3.657 1.00 2.25 H new ATOM 0 HG23 THR A 83 9.671 -13.795 -2.529 1.00 2.25 H new ATOM 1346 N LEU A 84 8.937 -9.169 -0.971 1.00 31.01 N ATOM 1347 CA LEU A 84 8.516 -7.762 -0.796 1.00 74.01 C ATOM 1348 C LEU A 84 9.764 -6.887 -0.538 1.00 33.25 C ATOM 1349 O LEU A 84 10.718 -7.345 0.094 1.00 42.44 O ATOM 1350 CB LEU A 84 7.500 -7.656 0.383 1.00 63.02 C ATOM 1351 CG LEU A 84 6.831 -6.255 0.674 1.00 72.44 C ATOM 1352 CD1 LEU A 84 5.748 -5.874 -0.365 1.00 53.55 C ATOM 1353 CD2 LEU A 84 6.233 -6.212 2.098 1.00 74.50 C ATOM 0 H LEU A 84 8.575 -9.799 -0.255 1.00 31.01 H new ATOM 0 HA LEU A 84 8.021 -7.406 -1.699 1.00 74.01 H new ATOM 0 HB2 LEU A 84 6.701 -8.374 0.198 1.00 63.02 H new ATOM 0 HB3 LEU A 84 8.011 -7.975 1.291 1.00 63.02 H new ATOM 0 HG LEU A 84 7.629 -5.517 0.594 1.00 72.44 H new ATOM 0 HD11 LEU A 84 5.326 -4.902 -0.111 1.00 53.55 H new ATOM 0 HD12 LEU A 84 6.196 -5.827 -1.357 1.00 53.55 H new ATOM 0 HD13 LEU A 84 4.958 -6.625 -0.359 1.00 53.55 H new ATOM 0 HD21 LEU A 84 5.779 -5.237 2.273 1.00 74.50 H new ATOM 0 HD22 LEU A 84 5.475 -6.989 2.198 1.00 74.50 H new ATOM 0 HD23 LEU A 84 7.023 -6.380 2.830 1.00 74.50 H new ATOM 1365 N ASN A 85 9.755 -5.657 -1.060 1.00 11.12 N ATOM 1366 CA ASN A 85 10.932 -4.737 -0.978 1.00 33.30 C ATOM 1367 C ASN A 85 11.128 -4.223 0.461 1.00 51.33 C ATOM 1368 O ASN A 85 12.251 -3.917 0.863 1.00 35.23 O ATOM 1369 CB ASN A 85 10.814 -3.544 -1.976 1.00 12.20 C ATOM 1370 CG ASN A 85 12.049 -2.645 -2.028 1.00 54.10 C ATOM 1371 OD1 ASN A 85 13.175 -3.084 -1.824 1.00 3.52 O ATOM 1372 ND2 ASN A 85 11.853 -1.387 -2.343 1.00 52.31 N ATOM 0 H ASN A 85 8.952 -5.259 -1.548 1.00 11.12 H new ATOM 0 HA ASN A 85 11.811 -5.315 -1.264 1.00 33.30 H new ATOM 0 HB2 ASN A 85 10.623 -3.938 -2.974 1.00 12.20 H new ATOM 0 HB3 ASN A 85 9.950 -2.939 -1.701 1.00 12.20 H new ATOM 0 HD21 ASN A 85 12.647 -0.752 -2.423 1.00 52.31 H new ATOM 0 HD22 ASN A 85 10.907 -1.044 -2.508 1.00 52.31 H new ATOM 1379 N HIS A 86 10.007 -4.114 1.213 1.00 15.21 N ATOM 1380 CA HIS A 86 9.982 -3.755 2.660 1.00 54.23 C ATOM 1381 C HIS A 86 10.414 -2.298 2.946 1.00 44.15 C ATOM 1382 O HIS A 86 10.368 -1.870 4.090 1.00 31.33 O ATOM 1383 CB HIS A 86 10.823 -4.758 3.507 1.00 34.13 C ATOM 1384 CG HIS A 86 10.328 -6.184 3.470 1.00 4.30 C ATOM 1385 ND1 HIS A 86 10.973 -7.193 2.797 1.00 44.12 N ATOM 1386 CD2 HIS A 86 9.253 -6.763 4.046 1.00 1.24 C ATOM 1387 CE1 HIS A 86 10.315 -8.321 2.964 1.00 44.03 C ATOM 1388 NE2 HIS A 86 9.271 -8.087 3.718 1.00 2.12 N ATOM 0 H HIS A 86 9.076 -4.275 0.829 1.00 15.21 H new ATOM 0 HA HIS A 86 8.937 -3.828 2.963 1.00 54.23 H new ATOM 0 HB2 HIS A 86 11.854 -4.736 3.153 1.00 34.13 H new ATOM 0 HB3 HIS A 86 10.834 -4.418 4.543 1.00 34.13 H new ATOM 0 HD2 HIS A 86 8.512 -6.267 4.656 1.00 1.24 H new ATOM 0 HE1 HIS A 86 10.591 -9.279 2.548 1.00 44.03 H new ATOM 0 HE2 HIS A 86 8.584 -8.781 4.012 1.00 2.12 H new ATOM 1397 N ASP A 87 10.783 -1.526 1.900 1.00 11.15 N ATOM 1398 CA ASP A 87 11.217 -0.105 2.038 1.00 64.15 C ATOM 1399 C ASP A 87 10.025 0.829 2.444 1.00 62.03 C ATOM 1400 O ASP A 87 10.215 2.004 2.780 1.00 52.44 O ATOM 1401 CB ASP A 87 11.975 0.357 0.728 1.00 13.21 C ATOM 1402 CG ASP A 87 12.319 1.854 0.689 1.00 21.43 C ATOM 1403 OD1 ASP A 87 13.314 2.269 1.311 1.00 13.13 O ATOM 1404 OD2 ASP A 87 11.588 2.620 0.045 1.00 75.11 O ATOM 0 H ASP A 87 10.791 -1.862 0.937 1.00 11.15 H new ATOM 0 HA ASP A 87 11.928 -0.025 2.860 1.00 64.15 H new ATOM 0 HB2 ASP A 87 12.896 -0.218 0.634 1.00 13.21 H new ATOM 0 HB3 ASP A 87 11.359 0.115 -0.138 1.00 13.21 H new ATOM 1409 N LEU A 88 8.799 0.266 2.496 1.00 64.52 N ATOM 1410 CA LEU A 88 7.605 0.945 3.040 1.00 21.34 C ATOM 1411 C LEU A 88 7.012 0.083 4.161 1.00 60.25 C ATOM 1412 O LEU A 88 5.785 -0.041 4.303 1.00 43.25 O ATOM 1413 CB LEU A 88 6.549 1.320 1.949 1.00 21.24 C ATOM 1414 CG LEU A 88 6.286 0.281 0.793 1.00 42.20 C ATOM 1415 CD1 LEU A 88 4.835 0.353 0.293 1.00 34.51 C ATOM 1416 CD2 LEU A 88 7.270 0.513 -0.381 1.00 14.32 C ATOM 0 H LEU A 88 8.609 -0.678 2.160 1.00 64.52 H new ATOM 0 HA LEU A 88 7.917 1.905 3.451 1.00 21.34 H new ATOM 0 HB2 LEU A 88 5.601 1.509 2.452 1.00 21.24 H new ATOM 0 HB3 LEU A 88 6.860 2.259 1.491 1.00 21.24 H new ATOM 0 HG LEU A 88 6.452 -0.716 1.201 1.00 42.20 H new ATOM 0 HD11 LEU A 88 4.688 -0.376 -0.504 1.00 34.51 H new ATOM 0 HD12 LEU A 88 4.155 0.133 1.116 1.00 34.51 H new ATOM 0 HD13 LEU A 88 4.631 1.353 -0.089 1.00 34.51 H new ATOM 0 HD21 LEU A 88 7.073 -0.213 -1.169 1.00 14.32 H new ATOM 0 HD22 LEU A 88 7.136 1.521 -0.774 1.00 14.32 H new ATOM 0 HD23 LEU A 88 8.294 0.395 -0.026 1.00 14.32 H new ATOM 1428 N SER A 89 7.930 -0.482 4.985 1.00 42.01 N ATOM 1429 CA SER A 89 7.595 -1.323 6.153 1.00 0.15 C ATOM 1430 C SER A 89 6.612 -0.614 7.118 1.00 21.13 C ATOM 1431 O SER A 89 5.773 -1.266 7.752 1.00 45.45 O ATOM 1432 CB SER A 89 8.893 -1.737 6.889 1.00 23.43 C ATOM 1433 OG SER A 89 9.725 -0.613 7.140 1.00 41.50 O ATOM 0 H SER A 89 8.934 -0.363 4.852 1.00 42.01 H new ATOM 0 HA SER A 89 7.088 -2.217 5.791 1.00 0.15 H new ATOM 0 HB2 SER A 89 8.640 -2.223 7.832 1.00 23.43 H new ATOM 0 HB3 SER A 89 9.436 -2.468 6.290 1.00 23.43 H new ATOM 0 HG SER A 89 10.536 -0.904 7.607 1.00 41.50 H new ATOM 1439 N GLU A 90 6.703 0.733 7.164 1.00 73.11 N ATOM 1440 CA GLU A 90 5.855 1.591 8.021 1.00 63.13 C ATOM 1441 C GLU A 90 4.397 1.589 7.523 1.00 2.35 C ATOM 1442 O GLU A 90 3.476 1.643 8.329 1.00 44.42 O ATOM 1443 CB GLU A 90 6.404 3.054 8.048 1.00 52.22 C ATOM 1444 CG GLU A 90 7.752 3.256 8.793 1.00 30.34 C ATOM 1445 CD GLU A 90 8.308 4.671 8.593 1.00 74.11 C ATOM 1446 OE1 GLU A 90 9.059 4.897 7.626 1.00 63.23 O ATOM 1447 OE2 GLU A 90 7.970 5.571 9.375 1.00 23.21 O ATOM 0 H GLU A 90 7.372 1.260 6.603 1.00 73.11 H new ATOM 0 HA GLU A 90 5.880 1.185 9.032 1.00 63.13 H new ATOM 0 HB2 GLU A 90 6.524 3.396 7.020 1.00 52.22 H new ATOM 0 HB3 GLU A 90 5.654 3.695 8.512 1.00 52.22 H new ATOM 0 HG2 GLU A 90 7.610 3.068 9.857 1.00 30.34 H new ATOM 0 HG3 GLU A 90 8.478 2.526 8.435 1.00 30.34 H new ATOM 1454 N LEU A 91 4.200 1.512 6.188 1.00 43.03 N ATOM 1455 CA LEU A 91 2.852 1.488 5.574 1.00 24.32 C ATOM 1456 C LEU A 91 2.159 0.147 5.886 1.00 51.40 C ATOM 1457 O LEU A 91 0.971 0.109 6.277 1.00 33.14 O ATOM 1458 CB LEU A 91 2.945 1.719 4.038 1.00 4.01 C ATOM 1459 CG LEU A 91 1.581 1.743 3.270 1.00 72.04 C ATOM 1460 CD1 LEU A 91 0.675 2.887 3.774 1.00 32.43 C ATOM 1461 CD2 LEU A 91 1.805 1.825 1.746 1.00 3.34 C ATOM 0 H LEU A 91 4.962 1.465 5.511 1.00 43.03 H new ATOM 0 HA LEU A 91 2.256 2.296 5.998 1.00 24.32 H new ATOM 0 HB2 LEU A 91 3.456 2.665 3.862 1.00 4.01 H new ATOM 0 HB3 LEU A 91 3.569 0.935 3.609 1.00 4.01 H new ATOM 0 HG LEU A 91 1.064 0.806 3.476 1.00 72.04 H new ATOM 0 HD11 LEU A 91 -0.265 2.877 3.221 1.00 32.43 H new ATOM 0 HD12 LEU A 91 0.473 2.750 4.836 1.00 32.43 H new ATOM 0 HD13 LEU A 91 1.176 3.843 3.621 1.00 32.43 H new ATOM 0 HD21 LEU A 91 0.841 1.840 1.237 1.00 3.34 H new ATOM 0 HD22 LEU A 91 2.356 2.735 1.508 1.00 3.34 H new ATOM 0 HD23 LEU A 91 2.377 0.958 1.415 1.00 3.34 H new ATOM 1473 N TYR A 92 2.947 -0.944 5.755 1.00 75.14 N ATOM 1474 CA TYR A 92 2.504 -2.309 6.073 1.00 11.43 C ATOM 1475 C TYR A 92 2.196 -2.431 7.586 1.00 73.13 C ATOM 1476 O TYR A 92 1.265 -3.138 7.992 1.00 21.33 O ATOM 1477 CB TYR A 92 3.587 -3.328 5.641 1.00 31.13 C ATOM 1478 CG TYR A 92 3.265 -4.801 5.953 1.00 21.42 C ATOM 1479 CD1 TYR A 92 2.043 -5.378 5.578 1.00 13.41 C ATOM 1480 CD2 TYR A 92 4.193 -5.621 6.611 1.00 3.33 C ATOM 1481 CE1 TYR A 92 1.764 -6.700 5.856 1.00 41.04 C ATOM 1482 CE2 TYR A 92 3.911 -6.940 6.887 1.00 14.51 C ATOM 1483 CZ TYR A 92 2.703 -7.473 6.505 1.00 31.30 C ATOM 1484 OH TYR A 92 2.422 -8.787 6.787 1.00 63.22 O ATOM 0 H TYR A 92 3.911 -0.896 5.424 1.00 75.14 H new ATOM 0 HA TYR A 92 1.589 -2.528 5.523 1.00 11.43 H new ATOM 0 HB2 TYR A 92 3.749 -3.228 4.568 1.00 31.13 H new ATOM 0 HB3 TYR A 92 4.525 -3.066 6.131 1.00 31.13 H new ATOM 0 HD1 TYR A 92 1.308 -4.777 5.063 1.00 13.41 H new ATOM 0 HD2 TYR A 92 5.147 -5.210 6.907 1.00 3.33 H new ATOM 0 HE1 TYR A 92 0.815 -7.127 5.567 1.00 41.04 H new ATOM 0 HE2 TYR A 92 4.636 -7.553 7.402 1.00 14.51 H new ATOM 0 HH TYR A 92 3.187 -9.194 7.246 1.00 63.22 H new ATOM 1494 N LYS A 93 2.976 -1.691 8.398 1.00 10.24 N ATOM 1495 CA LYS A 93 2.794 -1.632 9.869 1.00 63.23 C ATOM 1496 C LYS A 93 1.568 -0.772 10.224 1.00 64.52 C ATOM 1497 O LYS A 93 0.892 -1.047 11.218 1.00 23.32 O ATOM 1498 CB LYS A 93 4.068 -1.081 10.601 1.00 5.20 C ATOM 1499 CG LYS A 93 5.090 -2.150 11.074 1.00 24.52 C ATOM 1500 CD LYS A 93 6.306 -1.501 11.769 1.00 1.41 C ATOM 1501 CE LYS A 93 7.312 -2.531 12.304 1.00 50.21 C ATOM 1502 NZ LYS A 93 7.839 -3.415 11.232 1.00 52.33 N ATOM 0 H LYS A 93 3.748 -1.118 8.058 1.00 10.24 H new ATOM 0 HA LYS A 93 2.632 -2.653 10.215 1.00 63.23 H new ATOM 0 HB2 LYS A 93 4.578 -0.389 9.931 1.00 5.20 H new ATOM 0 HB3 LYS A 93 3.745 -0.505 11.468 1.00 5.20 H new ATOM 0 HG2 LYS A 93 4.603 -2.842 11.761 1.00 24.52 H new ATOM 0 HG3 LYS A 93 5.428 -2.735 10.219 1.00 24.52 H new ATOM 0 HD2 LYS A 93 6.811 -0.841 11.064 1.00 1.41 H new ATOM 0 HD3 LYS A 93 5.957 -0.880 12.594 1.00 1.41 H new ATOM 0 HE2 LYS A 93 8.141 -2.011 12.783 1.00 50.21 H new ATOM 0 HE3 LYS A 93 6.832 -3.140 13.071 1.00 50.21 H new ATOM 0 HZ1 LYS A 93 8.575 -4.036 11.625 1.00 52.33 H new ATOM 0 HZ2 LYS A 93 7.065 -3.995 10.849 1.00 52.33 H new ATOM 0 HZ3 LYS A 93 8.246 -2.834 10.471 1.00 52.33 H new ATOM 1516 N PHE A 94 1.287 0.250 9.392 1.00 41.00 N ATOM 1517 CA PHE A 94 0.208 1.221 9.646 1.00 4.41 C ATOM 1518 C PHE A 94 -1.173 0.566 9.489 1.00 44.10 C ATOM 1519 O PHE A 94 -2.047 0.737 10.351 1.00 72.54 O ATOM 1520 CB PHE A 94 0.344 2.456 8.704 1.00 22.45 C ATOM 1521 CG PHE A 94 -0.869 3.387 8.729 1.00 31.32 C ATOM 1522 CD1 PHE A 94 -1.757 3.434 7.657 1.00 5.15 C ATOM 1523 CD2 PHE A 94 -1.149 4.167 9.850 1.00 21.24 C ATOM 1524 CE1 PHE A 94 -2.874 4.226 7.709 1.00 60.22 C ATOM 1525 CE2 PHE A 94 -2.269 4.964 9.893 1.00 74.11 C ATOM 1526 CZ PHE A 94 -3.132 4.995 8.821 1.00 60.50 C ATOM 0 H PHE A 94 1.801 0.424 8.528 1.00 41.00 H new ATOM 0 HA PHE A 94 0.301 1.565 10.676 1.00 4.41 H new ATOM 0 HB2 PHE A 94 1.231 3.022 8.988 1.00 22.45 H new ATOM 0 HB3 PHE A 94 0.502 2.107 7.683 1.00 22.45 H new ATOM 0 HD1 PHE A 94 -1.563 2.840 6.776 1.00 5.15 H new ATOM 0 HD2 PHE A 94 -0.478 4.145 10.696 1.00 21.24 H new ATOM 0 HE1 PHE A 94 -3.556 4.247 6.872 1.00 60.22 H new ATOM 0 HE2 PHE A 94 -2.471 5.565 10.767 1.00 74.11 H new ATOM 0 HZ PHE A 94 -4.011 5.622 8.852 1.00 60.50 H new ATOM 1536 N ILE A 95 -1.367 -0.189 8.382 1.00 23.12 N ATOM 1537 CA ILE A 95 -2.675 -0.820 8.086 1.00 65.41 C ATOM 1538 C ILE A 95 -2.945 -2.044 9.017 1.00 42.21 C ATOM 1539 O ILE A 95 -4.007 -2.675 8.938 1.00 30.13 O ATOM 1540 CB ILE A 95 -2.855 -1.178 6.548 1.00 31.25 C ATOM 1541 CG1 ILE A 95 -2.128 -2.517 6.144 1.00 34.35 C ATOM 1542 CG2 ILE A 95 -2.444 0.028 5.644 1.00 55.04 C ATOM 1543 CD1 ILE A 95 -2.001 -2.766 4.643 1.00 43.13 C ATOM 0 H ILE A 95 -0.644 -0.375 7.687 1.00 23.12 H new ATOM 0 HA ILE A 95 -3.438 -0.073 8.306 1.00 65.41 H new ATOM 0 HB ILE A 95 -3.916 -1.365 6.380 1.00 31.25 H new ATOM 0 HG12 ILE A 95 -1.129 -2.514 6.580 1.00 34.35 H new ATOM 0 HG13 ILE A 95 -2.668 -3.352 6.589 1.00 34.35 H new ATOM 0 HG21 ILE A 95 -2.576 -0.241 4.596 1.00 55.04 H new ATOM 0 HG22 ILE A 95 -3.070 0.889 5.879 1.00 55.04 H new ATOM 0 HG23 ILE A 95 -1.399 0.279 5.825 1.00 55.04 H new ATOM 0 HD11 ILE A 95 -1.487 -3.712 4.473 1.00 43.13 H new ATOM 0 HD12 ILE A 95 -2.994 -2.808 4.196 1.00 43.13 H new ATOM 0 HD13 ILE A 95 -1.431 -1.956 4.187 1.00 43.13 H new ATOM 1555 N THR A 96 -1.961 -2.371 9.892 1.00 52.51 N ATOM 1556 CA THR A 96 -2.093 -3.424 10.919 1.00 73.24 C ATOM 1557 C THR A 96 -2.135 -2.823 12.351 1.00 64.40 C ATOM 1558 O THR A 96 -2.228 -3.576 13.332 1.00 61.11 O ATOM 1559 CB THR A 96 -0.904 -4.435 10.829 1.00 13.35 C ATOM 1560 OG1 THR A 96 0.324 -3.712 10.834 1.00 33.33 O ATOM 1561 CG2 THR A 96 -0.951 -5.311 9.565 1.00 42.12 C ATOM 0 H THR A 96 -1.052 -1.908 9.901 1.00 52.51 H new ATOM 0 HA THR A 96 -3.033 -3.942 10.726 1.00 73.24 H new ATOM 0 HB THR A 96 -0.984 -5.098 11.691 1.00 13.35 H new ATOM 0 HG1 THR A 96 0.163 -2.796 11.144 1.00 33.33 H new ATOM 0 HG21 THR A 96 -0.099 -5.991 9.562 1.00 42.12 H new ATOM 0 HG22 THR A 96 -1.876 -5.888 9.556 1.00 42.12 H new ATOM 0 HG23 THR A 96 -0.911 -4.676 8.680 1.00 42.12 H new