USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 424 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 75 TYR OH : rot -176:sc= -0.498 USER MOD Set 1.2: A 82 ASN : amide:sc= 0.0731 X(o=-0.42,f=-0.86) USER MOD Set 2.1: A 71 GLN : amide:sc= -0.0079 K(o=-0.05,f=-3.1) USER MOD Set 2.2: A 74 GLN : amide:sc= -0.0425 K(o=-0.05,f=-2.2!) USER MOD Single : A 30 SER OG : rot -78:sc= 1.48 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -92:sc= 0.0851 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -150:sc= 0.446 (180deg=0.0736) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -27:sc= 0.216 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.206 K(o=-0.21,f=-4.7!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HE2:sc= 0.0174 X(o=0.017,f=-0.12) USER MOD Single : A 91 THR OG1 : rot -38:sc= 0.687 USER MOD ----------------------------------------------------------------- ATOM 429 N VAL A 29 3.258 -27.936 -55.140 1.00 0.00 N ATOM 430 CA VAL A 29 3.425 -28.943 -54.080 1.00 0.00 C ATOM 431 C VAL A 29 4.919 -29.077 -53.707 1.00 0.00 C ATOM 432 O VAL A 29 5.783 -29.265 -54.575 1.00 0.00 O ATOM 433 CB VAL A 29 2.792 -30.340 -54.476 1.00 0.00 C ATOM 434 CG1 VAL A 29 1.250 -30.224 -54.610 1.00 0.00 C ATOM 435 CG2 VAL A 29 3.413 -30.916 -55.780 1.00 0.00 C ATOM 0 HA VAL A 29 2.878 -28.600 -53.201 1.00 0.00 H new ATOM 0 HB VAL A 29 3.024 -31.038 -53.672 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.834 -31.194 -54.883 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.825 -29.901 -53.659 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.006 -29.495 -55.382 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.948 -31.874 -56.012 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.242 -30.221 -56.602 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.485 -31.057 -55.641 1.00 0.00 H new ATOM 445 N SER A 30 5.213 -28.908 -52.407 1.00 0.00 N ATOM 446 CA SER A 30 6.581 -28.904 -51.867 1.00 0.00 C ATOM 447 C SER A 30 6.570 -29.594 -50.498 1.00 0.00 C ATOM 448 O SER A 30 5.746 -29.242 -49.645 1.00 0.00 O ATOM 449 CB SER A 30 7.087 -27.446 -51.719 1.00 0.00 C ATOM 450 OG SER A 30 6.758 -26.658 -52.849 1.00 0.00 O ATOM 0 H SER A 30 4.498 -28.769 -51.693 1.00 0.00 H new ATOM 0 HA SER A 30 7.248 -29.436 -52.545 1.00 0.00 H new ATOM 0 HB2 SER A 30 6.652 -26.999 -50.825 1.00 0.00 H new ATOM 0 HB3 SER A 30 8.168 -27.449 -51.580 1.00 0.00 H new ATOM 0 HG SER A 30 7.378 -26.861 -53.581 1.00 0.00 H new ATOM 456 N VAL A 31 7.457 -30.584 -50.293 1.00 0.00 N ATOM 457 CA VAL A 31 7.566 -31.309 -49.010 1.00 0.00 C ATOM 458 C VAL A 31 8.995 -31.172 -48.478 1.00 0.00 C ATOM 459 O VAL A 31 9.952 -31.492 -49.183 1.00 0.00 O ATOM 460 CB VAL A 31 7.201 -32.837 -49.147 1.00 0.00 C ATOM 461 CG1 VAL A 31 7.166 -33.534 -47.758 1.00 0.00 C ATOM 462 CG2 VAL A 31 5.866 -33.038 -49.907 1.00 0.00 C ATOM 0 H VAL A 31 8.114 -30.904 -51.004 1.00 0.00 H new ATOM 0 HA VAL A 31 6.850 -30.866 -48.318 1.00 0.00 H new ATOM 0 HB VAL A 31 7.987 -33.308 -49.737 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.912 -34.586 -47.885 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.145 -33.452 -47.285 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.417 -33.053 -47.128 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.647 -34.103 -49.982 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.061 -32.539 -49.367 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.949 -32.613 -50.907 1.00 0.00 H new ATOM 472 N GLU A 32 9.124 -30.678 -47.244 1.00 0.00 N ATOM 473 CA GLU A 32 10.407 -30.588 -46.549 1.00 0.00 C ATOM 474 C GLU A 32 10.727 -31.949 -45.920 1.00 0.00 C ATOM 475 O GLU A 32 10.068 -32.385 -44.968 1.00 0.00 O ATOM 476 CB GLU A 32 10.388 -29.464 -45.481 1.00 0.00 C ATOM 477 CG GLU A 32 10.169 -28.054 -46.062 1.00 0.00 C ATOM 478 CD GLU A 32 10.013 -26.979 -44.978 1.00 0.00 C ATOM 479 OE1 GLU A 32 8.947 -26.948 -44.319 1.00 0.00 O ATOM 480 OE2 GLU A 32 10.937 -26.159 -44.775 1.00 0.00 O ATOM 0 H GLU A 32 8.337 -30.328 -46.698 1.00 0.00 H new ATOM 0 HA GLU A 32 11.188 -30.331 -47.264 1.00 0.00 H new ATOM 0 HB2 GLU A 32 9.599 -29.675 -44.759 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.331 -29.479 -44.935 1.00 0.00 H new ATOM 0 HG2 GLU A 32 11.011 -27.796 -46.704 1.00 0.00 H new ATOM 0 HG3 GLU A 32 9.279 -28.060 -46.691 1.00 0.00 H new ATOM 487 N LEU A 33 11.710 -32.633 -46.513 1.00 0.00 N ATOM 488 CA LEU A 33 12.191 -33.947 -46.052 1.00 0.00 C ATOM 489 C LEU A 33 13.115 -33.753 -44.816 1.00 0.00 C ATOM 490 O LEU A 33 13.597 -32.633 -44.598 1.00 0.00 O ATOM 491 CB LEU A 33 12.898 -34.671 -47.259 1.00 0.00 C ATOM 492 CG LEU A 33 11.964 -35.468 -48.237 1.00 0.00 C ATOM 493 CD1 LEU A 33 11.444 -36.764 -47.592 1.00 0.00 C ATOM 494 CD2 LEU A 33 10.792 -34.617 -48.740 1.00 0.00 C ATOM 0 H LEU A 33 12.203 -32.289 -47.337 1.00 0.00 H new ATOM 0 HA LEU A 33 11.370 -34.585 -45.726 1.00 0.00 H new ATOM 0 HB2 LEU A 33 13.439 -33.922 -47.837 1.00 0.00 H new ATOM 0 HB3 LEU A 33 13.640 -35.361 -46.857 1.00 0.00 H new ATOM 0 HG LEU A 33 12.576 -35.734 -49.099 1.00 0.00 H new ATOM 0 HD11 LEU A 33 10.801 -37.289 -48.298 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.287 -37.401 -47.325 1.00 0.00 H new ATOM 0 HD13 LEU A 33 10.875 -36.521 -46.695 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.174 -35.211 -49.413 1.00 0.00 H new ATOM 0 HD22 LEU A 33 10.192 -34.287 -47.892 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.176 -33.747 -49.273 1.00 0.00 H new ATOM 506 N PRO A 34 13.349 -34.818 -43.962 1.00 0.00 N ATOM 507 CA PRO A 34 14.120 -34.685 -42.690 1.00 0.00 C ATOM 508 C PRO A 34 15.514 -34.050 -42.901 1.00 0.00 C ATOM 509 O PRO A 34 16.302 -34.495 -43.753 1.00 0.00 O ATOM 510 CB PRO A 34 14.214 -36.142 -42.151 1.00 0.00 C ATOM 511 CG PRO A 34 13.894 -37.004 -43.333 1.00 0.00 C ATOM 512 CD PRO A 34 12.879 -36.220 -44.128 1.00 0.00 C ATOM 0 HA PRO A 34 13.631 -34.011 -41.986 1.00 0.00 H new ATOM 0 HB2 PRO A 34 15.209 -36.357 -41.761 1.00 0.00 H new ATOM 0 HB3 PRO A 34 13.510 -36.309 -41.336 1.00 0.00 H new ATOM 0 HG2 PRO A 34 14.786 -37.208 -43.925 1.00 0.00 H new ATOM 0 HG3 PRO A 34 13.491 -37.968 -43.021 1.00 0.00 H new ATOM 0 HD2 PRO A 34 12.864 -36.521 -45.175 1.00 0.00 H new ATOM 0 HD3 PRO A 34 11.869 -36.357 -43.743 1.00 0.00 H new ATOM 520 N ALA A 35 15.780 -32.995 -42.128 1.00 0.00 N ATOM 521 CA ALA A 35 16.935 -32.108 -42.316 1.00 0.00 C ATOM 522 C ALA A 35 17.931 -32.223 -41.152 1.00 0.00 C ATOM 523 O ALA A 35 17.545 -32.663 -40.062 1.00 0.00 O ATOM 524 CB ALA A 35 16.438 -30.657 -42.428 1.00 0.00 C ATOM 0 H ALA A 35 15.190 -32.727 -41.340 1.00 0.00 H new ATOM 0 HA ALA A 35 17.453 -32.405 -43.228 1.00 0.00 H new ATOM 0 HB1 ALA A 35 17.289 -29.991 -42.568 1.00 0.00 H new ATOM 0 HB2 ALA A 35 15.764 -30.568 -43.280 1.00 0.00 H new ATOM 0 HB3 ALA A 35 15.908 -30.382 -41.516 1.00 0.00 H new ATOM 530 N PRO A 36 19.231 -31.838 -41.372 1.00 0.00 N ATOM 531 CA PRO A 36 20.161 -31.547 -40.260 1.00 0.00 C ATOM 532 C PRO A 36 19.725 -30.254 -39.528 1.00 0.00 C ATOM 533 O PRO A 36 19.256 -29.315 -40.177 1.00 0.00 O ATOM 534 CB PRO A 36 21.539 -31.394 -40.966 1.00 0.00 C ATOM 535 CG PRO A 36 21.211 -30.999 -42.372 1.00 0.00 C ATOM 536 CD PRO A 36 19.895 -31.677 -42.700 1.00 0.00 C ATOM 0 HA PRO A 36 20.187 -32.319 -39.491 1.00 0.00 H new ATOM 0 HB2 PRO A 36 22.152 -30.637 -40.476 1.00 0.00 H new ATOM 0 HB3 PRO A 36 22.102 -32.327 -40.939 1.00 0.00 H new ATOM 0 HG2 PRO A 36 21.126 -29.916 -42.463 1.00 0.00 H new ATOM 0 HG3 PRO A 36 21.995 -31.316 -43.059 1.00 0.00 H new ATOM 0 HD2 PRO A 36 19.292 -31.072 -43.377 1.00 0.00 H new ATOM 0 HD3 PRO A 36 20.052 -32.639 -43.187 1.00 0.00 H new ATOM 544 N SER A 37 19.880 -30.231 -38.198 1.00 0.00 N ATOM 545 CA SER A 37 19.420 -29.122 -37.326 1.00 0.00 C ATOM 546 C SER A 37 20.044 -27.754 -37.712 1.00 0.00 C ATOM 547 O SER A 37 19.464 -26.703 -37.425 1.00 0.00 O ATOM 548 CB SER A 37 19.751 -29.458 -35.853 1.00 0.00 C ATOM 549 OG SER A 37 19.172 -30.700 -35.464 1.00 0.00 O ATOM 0 H SER A 37 20.332 -30.986 -37.683 1.00 0.00 H new ATOM 0 HA SER A 37 18.343 -29.025 -37.461 1.00 0.00 H new ATOM 0 HB2 SER A 37 20.832 -29.501 -35.721 1.00 0.00 H new ATOM 0 HB3 SER A 37 19.382 -28.663 -35.205 1.00 0.00 H new ATOM 0 HG SER A 37 19.399 -30.888 -34.529 1.00 0.00 H new ATOM 555 N SER A 38 21.228 -27.788 -38.347 1.00 0.00 N ATOM 556 CA SER A 38 21.926 -26.582 -38.811 1.00 0.00 C ATOM 557 C SER A 38 21.245 -26.004 -40.069 1.00 0.00 C ATOM 558 O SER A 38 21.067 -24.786 -40.197 1.00 0.00 O ATOM 559 CB SER A 38 23.399 -26.934 -39.097 1.00 0.00 C ATOM 560 OG SER A 38 24.139 -25.821 -39.578 1.00 0.00 O ATOM 0 H SER A 38 21.726 -28.654 -38.552 1.00 0.00 H new ATOM 0 HA SER A 38 21.882 -25.818 -38.035 1.00 0.00 H new ATOM 0 HB2 SER A 38 23.864 -27.309 -38.185 1.00 0.00 H new ATOM 0 HB3 SER A 38 23.441 -27.739 -39.830 1.00 0.00 H new ATOM 0 HG SER A 38 24.110 -25.807 -40.557 1.00 0.00 H new ATOM 566 N TRP A 39 20.847 -26.902 -40.982 1.00 0.00 N ATOM 567 CA TRP A 39 20.267 -26.538 -42.289 1.00 0.00 C ATOM 568 C TRP A 39 18.760 -26.847 -42.321 1.00 0.00 C ATOM 569 O TRP A 39 18.131 -27.064 -41.281 1.00 0.00 O ATOM 570 CB TRP A 39 20.993 -27.325 -43.425 1.00 0.00 C ATOM 571 CG TRP A 39 22.407 -26.880 -43.702 1.00 0.00 C ATOM 572 CD1 TRP A 39 23.455 -26.845 -42.832 1.00 0.00 C ATOM 573 CD2 TRP A 39 22.923 -26.432 -44.956 1.00 0.00 C ATOM 574 NE1 TRP A 39 24.581 -26.394 -43.465 1.00 0.00 N ATOM 575 CE2 TRP A 39 24.281 -26.141 -44.769 1.00 0.00 C ATOM 576 CE3 TRP A 39 22.364 -26.253 -46.219 1.00 0.00 C ATOM 577 CZ2 TRP A 39 25.087 -25.680 -45.790 1.00 0.00 C ATOM 578 CZ3 TRP A 39 23.164 -25.786 -47.237 1.00 0.00 C ATOM 579 CH2 TRP A 39 24.518 -25.510 -47.021 1.00 0.00 C ATOM 0 H TRP A 39 20.918 -27.909 -40.836 1.00 0.00 H new ATOM 0 HA TRP A 39 20.403 -25.468 -42.443 1.00 0.00 H new ATOM 0 HB2 TRP A 39 21.005 -28.383 -43.164 1.00 0.00 H new ATOM 0 HB3 TRP A 39 20.411 -27.230 -44.342 1.00 0.00 H new ATOM 0 HD1 TRP A 39 23.404 -27.132 -41.792 1.00 0.00 H new ATOM 0 HE1 TRP A 39 25.495 -26.268 -43.031 1.00 0.00 H new ATOM 0 HE3 TRP A 39 21.322 -26.476 -46.396 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 26.131 -25.461 -45.622 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 22.740 -25.630 -48.218 1.00 0.00 H new ATOM 0 HH2 TRP A 39 25.125 -25.156 -47.841 1.00 0.00 H new ATOM 590 N LYS A 40 18.195 -26.798 -43.533 1.00 0.00 N ATOM 591 CA LYS A 40 16.852 -27.298 -43.849 1.00 0.00 C ATOM 592 C LYS A 40 16.924 -28.045 -45.190 1.00 0.00 C ATOM 593 O LYS A 40 17.761 -27.740 -46.041 1.00 0.00 O ATOM 594 CB LYS A 40 15.817 -26.126 -43.850 1.00 0.00 C ATOM 595 CG LYS A 40 15.072 -25.921 -42.497 1.00 0.00 C ATOM 596 CD LYS A 40 14.731 -24.443 -42.187 1.00 0.00 C ATOM 597 CE LYS A 40 15.992 -23.599 -41.916 1.00 0.00 C ATOM 598 NZ LYS A 40 15.671 -22.201 -41.536 1.00 0.00 N ATOM 0 H LYS A 40 18.671 -26.399 -44.342 1.00 0.00 H new ATOM 0 HA LYS A 40 16.505 -27.997 -43.088 1.00 0.00 H new ATOM 0 HB2 LYS A 40 16.334 -25.202 -44.109 1.00 0.00 H new ATOM 0 HB3 LYS A 40 15.080 -26.309 -44.632 1.00 0.00 H new ATOM 0 HG2 LYS A 40 14.150 -26.502 -42.510 1.00 0.00 H new ATOM 0 HG3 LYS A 40 15.688 -26.319 -41.690 1.00 0.00 H new ATOM 0 HD2 LYS A 40 14.183 -24.015 -43.026 1.00 0.00 H new ATOM 0 HD3 LYS A 40 14.072 -24.398 -41.320 1.00 0.00 H new ATOM 0 HE2 LYS A 40 16.572 -24.064 -41.119 1.00 0.00 H new ATOM 0 HE3 LYS A 40 16.620 -23.595 -42.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 16.553 -21.677 -41.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 15.141 -21.745 -42.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 15.094 -22.200 -40.671 1.00 0.00 H new ATOM 612 N LYS A 41 16.051 -29.041 -45.346 1.00 0.00 N ATOM 613 CA LYS A 41 16.036 -29.974 -46.480 1.00 0.00 C ATOM 614 C LYS A 41 14.631 -29.986 -47.071 1.00 0.00 C ATOM 615 O LYS A 41 13.668 -30.370 -46.409 1.00 0.00 O ATOM 616 CB LYS A 41 16.482 -31.379 -45.981 1.00 0.00 C ATOM 617 CG LYS A 41 16.103 -32.604 -46.847 1.00 0.00 C ATOM 618 CD LYS A 41 16.750 -32.621 -48.241 1.00 0.00 C ATOM 619 CE LYS A 41 16.518 -33.961 -48.961 1.00 0.00 C ATOM 620 NZ LYS A 41 17.133 -35.107 -48.225 1.00 0.00 N ATOM 0 H LYS A 41 15.312 -29.229 -44.668 1.00 0.00 H new ATOM 0 HA LYS A 41 16.730 -29.668 -47.263 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.567 -31.368 -45.873 1.00 0.00 H new ATOM 0 HB3 LYS A 41 16.064 -31.530 -44.986 1.00 0.00 H new ATOM 0 HG2 LYS A 41 16.389 -33.512 -46.316 1.00 0.00 H new ATOM 0 HG3 LYS A 41 15.019 -32.631 -46.962 1.00 0.00 H new ATOM 0 HD2 LYS A 41 16.340 -31.809 -48.842 1.00 0.00 H new ATOM 0 HD3 LYS A 41 17.821 -32.439 -48.147 1.00 0.00 H new ATOM 0 HE2 LYS A 41 15.447 -34.133 -49.070 1.00 0.00 H new ATOM 0 HE3 LYS A 41 16.936 -33.909 -49.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 17.413 -35.845 -48.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 17.972 -34.777 -47.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 16.443 -35.498 -47.553 1.00 0.00 H new ATOM 634 N LEU A 42 14.542 -29.529 -48.317 1.00 0.00 N ATOM 635 CA LEU A 42 13.302 -29.477 -49.092 1.00 0.00 C ATOM 636 C LEU A 42 13.462 -30.345 -50.347 1.00 0.00 C ATOM 637 O LEU A 42 14.558 -30.465 -50.904 1.00 0.00 O ATOM 638 CB LEU A 42 12.954 -27.980 -49.419 1.00 0.00 C ATOM 639 CG LEU A 42 11.839 -27.692 -50.503 1.00 0.00 C ATOM 640 CD1 LEU A 42 11.078 -26.370 -50.225 1.00 0.00 C ATOM 641 CD2 LEU A 42 12.445 -27.650 -51.926 1.00 0.00 C ATOM 0 H LEU A 42 15.349 -29.175 -48.830 1.00 0.00 H new ATOM 0 HA LEU A 42 12.464 -29.880 -48.523 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.648 -27.499 -48.490 1.00 0.00 H new ATOM 0 HB3 LEU A 42 13.871 -27.489 -49.745 1.00 0.00 H new ATOM 0 HG LEU A 42 11.126 -28.514 -50.438 1.00 0.00 H new ATOM 0 HD11 LEU A 42 10.323 -26.216 -50.996 1.00 0.00 H new ATOM 0 HD12 LEU A 42 10.595 -26.427 -49.250 1.00 0.00 H new ATOM 0 HD13 LEU A 42 11.781 -25.537 -50.234 1.00 0.00 H new ATOM 0 HD21 LEU A 42 11.656 -27.450 -52.652 1.00 0.00 H new ATOM 0 HD22 LEU A 42 13.195 -26.861 -51.979 1.00 0.00 H new ATOM 0 HD23 LEU A 42 12.911 -28.609 -52.151 1.00 0.00 H new ATOM 653 N PHE A 43 12.349 -30.943 -50.769 1.00 0.00 N ATOM 654 CA PHE A 43 12.219 -31.674 -52.031 1.00 0.00 C ATOM 655 C PHE A 43 10.913 -31.237 -52.712 1.00 0.00 C ATOM 656 O PHE A 43 9.900 -31.010 -52.042 1.00 0.00 O ATOM 657 CB PHE A 43 12.227 -33.199 -51.750 1.00 0.00 C ATOM 658 CG PHE A 43 11.897 -34.088 -52.952 1.00 0.00 C ATOM 659 CD1 PHE A 43 12.723 -34.117 -54.077 1.00 0.00 C ATOM 660 CD2 PHE A 43 10.743 -34.881 -52.962 1.00 0.00 C ATOM 661 CE1 PHE A 43 12.415 -34.915 -55.166 1.00 0.00 C ATOM 662 CE2 PHE A 43 10.440 -35.680 -54.051 1.00 0.00 C ATOM 663 CZ PHE A 43 11.271 -35.690 -55.155 1.00 0.00 C ATOM 0 H PHE A 43 11.486 -30.932 -50.226 1.00 0.00 H new ATOM 0 HA PHE A 43 13.055 -31.453 -52.694 1.00 0.00 H new ATOM 0 HB2 PHE A 43 13.211 -33.477 -51.373 1.00 0.00 H new ATOM 0 HB3 PHE A 43 11.510 -33.409 -50.956 1.00 0.00 H new ATOM 0 HD1 PHE A 43 13.615 -33.508 -54.098 1.00 0.00 H new ATOM 0 HD2 PHE A 43 10.081 -34.869 -52.109 1.00 0.00 H new ATOM 0 HE1 PHE A 43 13.070 -34.932 -56.025 1.00 0.00 H new ATOM 0 HE2 PHE A 43 9.553 -36.296 -54.038 1.00 0.00 H new ATOM 0 HZ PHE A 43 11.026 -36.304 -56.009 1.00 0.00 H new ATOM 673 N TYR A 44 10.957 -31.086 -54.039 1.00 0.00 N ATOM 674 CA TYR A 44 9.756 -30.816 -54.850 1.00 0.00 C ATOM 675 C TYR A 44 9.231 -32.143 -55.454 1.00 0.00 C ATOM 676 O TYR A 44 9.853 -32.678 -56.380 1.00 0.00 O ATOM 677 CB TYR A 44 10.065 -29.789 -55.968 1.00 0.00 C ATOM 678 CG TYR A 44 10.039 -28.321 -55.523 1.00 0.00 C ATOM 679 CD1 TYR A 44 11.210 -27.626 -55.224 1.00 0.00 C ATOM 680 CD2 TYR A 44 8.833 -27.627 -55.419 1.00 0.00 C ATOM 681 CE1 TYR A 44 11.174 -26.300 -54.832 1.00 0.00 C ATOM 682 CE2 TYR A 44 8.800 -26.305 -55.026 1.00 0.00 C ATOM 683 CZ TYR A 44 9.970 -25.647 -54.742 1.00 0.00 C ATOM 684 OH TYR A 44 9.936 -24.331 -54.351 1.00 0.00 O ATOM 0 H TYR A 44 11.818 -31.146 -54.583 1.00 0.00 H new ATOM 0 HA TYR A 44 8.986 -30.386 -54.210 1.00 0.00 H new ATOM 0 HB2 TYR A 44 11.049 -30.010 -56.383 1.00 0.00 H new ATOM 0 HB3 TYR A 44 9.342 -29.922 -56.773 1.00 0.00 H new ATOM 0 HD1 TYR A 44 12.161 -28.132 -55.300 1.00 0.00 H new ATOM 0 HD2 TYR A 44 7.908 -28.134 -55.650 1.00 0.00 H new ATOM 0 HE1 TYR A 44 12.091 -25.780 -54.597 1.00 0.00 H new ATOM 0 HE2 TYR A 44 7.855 -25.789 -54.942 1.00 0.00 H new ATOM 0 HH TYR A 44 9.008 -24.017 -54.339 1.00 0.00 H new ATOM 694 N PRO A 45 8.097 -32.717 -54.925 1.00 0.00 N ATOM 695 CA PRO A 45 7.463 -33.926 -55.516 1.00 0.00 C ATOM 696 C PRO A 45 6.708 -33.622 -56.833 1.00 0.00 C ATOM 697 O PRO A 45 6.233 -32.497 -57.050 1.00 0.00 O ATOM 698 CB PRO A 45 6.491 -34.395 -54.399 1.00 0.00 C ATOM 699 CG PRO A 45 6.115 -33.125 -53.699 1.00 0.00 C ATOM 700 CD PRO A 45 7.371 -32.274 -53.699 1.00 0.00 C ATOM 0 HA PRO A 45 8.197 -34.681 -55.800 1.00 0.00 H new ATOM 0 HB2 PRO A 45 5.617 -34.897 -54.814 1.00 0.00 H new ATOM 0 HB3 PRO A 45 6.971 -35.099 -53.720 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.299 -32.620 -54.215 1.00 0.00 H new ATOM 0 HG3 PRO A 45 5.775 -33.323 -52.682 1.00 0.00 H new ATOM 0 HD2 PRO A 45 7.134 -31.211 -53.736 1.00 0.00 H new ATOM 0 HD3 PRO A 45 7.966 -32.437 -52.800 1.00 0.00 H new ATOM 852 N GLU A 55 14.240 -30.530 -58.468 1.00 0.00 N ATOM 853 CA GLU A 55 15.065 -31.391 -57.604 1.00 0.00 C ATOM 854 C GLU A 55 15.030 -30.907 -56.132 1.00 0.00 C ATOM 855 O GLU A 55 14.177 -30.096 -55.735 1.00 0.00 O ATOM 856 CB GLU A 55 16.529 -31.456 -58.156 1.00 0.00 C ATOM 857 CG GLU A 55 17.344 -30.131 -58.121 1.00 0.00 C ATOM 858 CD GLU A 55 17.007 -29.150 -59.256 1.00 0.00 C ATOM 859 OE1 GLU A 55 16.138 -28.276 -59.075 1.00 0.00 O ATOM 860 OE2 GLU A 55 17.603 -29.261 -60.347 1.00 0.00 O ATOM 0 HA GLU A 55 14.650 -32.399 -57.616 1.00 0.00 H new ATOM 0 HB2 GLU A 55 17.075 -32.208 -57.586 1.00 0.00 H new ATOM 0 HB3 GLU A 55 16.489 -31.805 -59.188 1.00 0.00 H new ATOM 0 HG2 GLU A 55 17.170 -29.636 -57.165 1.00 0.00 H new ATOM 0 HG3 GLU A 55 18.406 -30.370 -58.167 1.00 0.00 H new ATOM 867 N VAL A 56 15.969 -31.431 -55.337 1.00 0.00 N ATOM 868 CA VAL A 56 16.108 -31.112 -53.913 1.00 0.00 C ATOM 869 C VAL A 56 16.822 -29.756 -53.746 1.00 0.00 C ATOM 870 O VAL A 56 17.765 -29.450 -54.475 1.00 0.00 O ATOM 871 CB VAL A 56 16.946 -32.241 -53.204 1.00 0.00 C ATOM 872 CG1 VAL A 56 17.394 -31.853 -51.772 1.00 0.00 C ATOM 873 CG2 VAL A 56 16.187 -33.590 -53.199 1.00 0.00 C ATOM 0 H VAL A 56 16.664 -32.099 -55.670 1.00 0.00 H new ATOM 0 HA VAL A 56 15.119 -31.052 -53.459 1.00 0.00 H new ATOM 0 HB VAL A 56 17.854 -32.360 -53.795 1.00 0.00 H new ATOM 0 HG11 VAL A 56 17.967 -32.671 -51.336 1.00 0.00 H new ATOM 0 HG12 VAL A 56 18.014 -30.958 -51.815 1.00 0.00 H new ATOM 0 HG13 VAL A 56 16.516 -31.657 -51.157 1.00 0.00 H new ATOM 0 HG21 VAL A 56 16.794 -34.347 -52.702 1.00 0.00 H new ATOM 0 HG22 VAL A 56 15.243 -33.474 -52.666 1.00 0.00 H new ATOM 0 HG23 VAL A 56 15.989 -33.900 -54.225 1.00 0.00 H new ATOM 883 N VAL A 57 16.325 -28.944 -52.799 1.00 0.00 N ATOM 884 CA VAL A 57 16.936 -27.661 -52.417 1.00 0.00 C ATOM 885 C VAL A 57 17.185 -27.662 -50.895 1.00 0.00 C ATOM 886 O VAL A 57 16.243 -27.796 -50.108 1.00 0.00 O ATOM 887 CB VAL A 57 16.024 -26.433 -52.818 1.00 0.00 C ATOM 888 CG1 VAL A 57 16.680 -25.073 -52.442 1.00 0.00 C ATOM 889 CG2 VAL A 57 15.651 -26.476 -54.328 1.00 0.00 C ATOM 0 H VAL A 57 15.479 -29.162 -52.272 1.00 0.00 H new ATOM 0 HA VAL A 57 17.878 -27.552 -52.954 1.00 0.00 H new ATOM 0 HB VAL A 57 15.103 -26.518 -52.241 1.00 0.00 H new ATOM 0 HG11 VAL A 57 16.020 -24.257 -52.735 1.00 0.00 H new ATOM 0 HG12 VAL A 57 16.848 -25.035 -51.366 1.00 0.00 H new ATOM 0 HG13 VAL A 57 17.633 -24.973 -52.961 1.00 0.00 H new ATOM 0 HG21 VAL A 57 15.024 -25.619 -54.572 1.00 0.00 H new ATOM 0 HG22 VAL A 57 16.560 -26.443 -54.928 1.00 0.00 H new ATOM 0 HG23 VAL A 57 15.107 -27.396 -54.542 1.00 0.00 H new ATOM 899 N PHE A 58 18.462 -27.546 -50.495 1.00 0.00 N ATOM 900 CA PHE A 58 18.851 -27.337 -49.089 1.00 0.00 C ATOM 901 C PHE A 58 18.836 -25.833 -48.774 1.00 0.00 C ATOM 902 O PHE A 58 19.462 -25.046 -49.479 1.00 0.00 O ATOM 903 CB PHE A 58 20.264 -27.923 -48.798 1.00 0.00 C ATOM 904 CG PHE A 58 20.282 -29.405 -48.449 1.00 0.00 C ATOM 905 CD1 PHE A 58 20.336 -30.376 -49.439 1.00 0.00 C ATOM 906 CD2 PHE A 58 20.273 -29.825 -47.112 1.00 0.00 C ATOM 907 CE1 PHE A 58 20.372 -31.715 -49.114 1.00 0.00 C ATOM 908 CE2 PHE A 58 20.303 -31.170 -46.791 1.00 0.00 C ATOM 909 CZ PHE A 58 20.364 -32.112 -47.793 1.00 0.00 C ATOM 0 H PHE A 58 19.254 -27.594 -51.136 1.00 0.00 H new ATOM 0 HA PHE A 58 18.135 -27.858 -48.453 1.00 0.00 H new ATOM 0 HB2 PHE A 58 20.895 -27.762 -49.672 1.00 0.00 H new ATOM 0 HB3 PHE A 58 20.711 -27.365 -47.975 1.00 0.00 H new ATOM 0 HD1 PHE A 58 20.350 -30.079 -50.477 1.00 0.00 H new ATOM 0 HD2 PHE A 58 20.242 -29.089 -46.322 1.00 0.00 H new ATOM 0 HE1 PHE A 58 20.407 -32.457 -49.898 1.00 0.00 H new ATOM 0 HE2 PHE A 58 20.279 -31.480 -45.757 1.00 0.00 H new ATOM 0 HZ PHE A 58 20.406 -33.162 -47.545 1.00 0.00 H new ATOM 919 N VAL A 59 18.113 -25.448 -47.716 1.00 0.00 N ATOM 920 CA VAL A 59 18.165 -24.089 -47.165 1.00 0.00 C ATOM 921 C VAL A 59 19.387 -23.962 -46.250 1.00 0.00 C ATOM 922 O VAL A 59 19.584 -24.780 -45.338 1.00 0.00 O ATOM 923 CB VAL A 59 16.843 -23.729 -46.388 1.00 0.00 C ATOM 924 CG1 VAL A 59 17.032 -22.582 -45.357 1.00 0.00 C ATOM 925 CG2 VAL A 59 15.731 -23.363 -47.377 1.00 0.00 C ATOM 0 H VAL A 59 17.476 -26.069 -47.218 1.00 0.00 H new ATOM 0 HA VAL A 59 18.254 -23.381 -47.989 1.00 0.00 H new ATOM 0 HB VAL A 59 16.563 -24.618 -45.823 1.00 0.00 H new ATOM 0 HG11 VAL A 59 16.084 -22.383 -44.856 1.00 0.00 H new ATOM 0 HG12 VAL A 59 17.778 -22.876 -44.618 1.00 0.00 H new ATOM 0 HG13 VAL A 59 17.366 -21.681 -45.872 1.00 0.00 H new ATOM 0 HG21 VAL A 59 14.822 -23.116 -46.828 1.00 0.00 H new ATOM 0 HG22 VAL A 59 16.041 -22.503 -47.971 1.00 0.00 H new ATOM 0 HG23 VAL A 59 15.538 -24.209 -48.037 1.00 0.00 H new ATOM 935 N ALA A 60 20.187 -22.914 -46.505 1.00 0.00 N ATOM 936 CA ALA A 60 21.418 -22.634 -45.760 1.00 0.00 C ATOM 937 C ALA A 60 21.114 -21.842 -44.472 1.00 0.00 C ATOM 938 O ALA A 60 20.174 -21.030 -44.453 1.00 0.00 O ATOM 939 CB ALA A 60 22.420 -21.872 -46.639 1.00 0.00 C ATOM 0 H ALA A 60 19.993 -22.234 -47.240 1.00 0.00 H new ATOM 0 HA ALA A 60 21.865 -23.586 -45.474 1.00 0.00 H new ATOM 0 HB1 ALA A 60 23.327 -21.673 -46.068 1.00 0.00 H new ATOM 0 HB2 ALA A 60 22.666 -22.473 -47.515 1.00 0.00 H new ATOM 0 HB3 ALA A 60 21.979 -20.928 -46.959 1.00 0.00 H new ATOM 945 N PRO A 61 21.919 -22.058 -43.384 1.00 0.00 N ATOM 946 CA PRO A 61 21.808 -21.278 -42.125 1.00 0.00 C ATOM 947 C PRO A 61 22.117 -19.775 -42.321 1.00 0.00 C ATOM 948 O PRO A 61 21.674 -18.935 -41.535 1.00 0.00 O ATOM 949 CB PRO A 61 22.837 -21.968 -41.178 1.00 0.00 C ATOM 950 CG PRO A 61 23.780 -22.705 -42.087 1.00 0.00 C ATOM 951 CD PRO A 61 22.962 -23.112 -43.284 1.00 0.00 C ATOM 0 HA PRO A 61 20.794 -21.282 -41.726 1.00 0.00 H new ATOM 0 HB2 PRO A 61 23.368 -21.234 -40.572 1.00 0.00 H new ATOM 0 HB3 PRO A 61 22.341 -22.651 -40.489 1.00 0.00 H new ATOM 0 HG2 PRO A 61 24.615 -22.070 -42.382 1.00 0.00 H new ATOM 0 HG3 PRO A 61 24.203 -23.577 -41.588 1.00 0.00 H new ATOM 0 HD2 PRO A 61 23.571 -23.157 -44.187 1.00 0.00 H new ATOM 0 HD3 PRO A 61 22.520 -24.099 -43.148 1.00 0.00 H new ATOM 959 N THR A 62 22.884 -19.456 -43.382 1.00 0.00 N ATOM 960 CA THR A 62 23.204 -18.066 -43.754 1.00 0.00 C ATOM 961 C THR A 62 22.179 -17.502 -44.769 1.00 0.00 C ATOM 962 O THR A 62 22.184 -16.297 -45.036 1.00 0.00 O ATOM 963 CB THR A 62 24.649 -17.978 -44.342 1.00 0.00 C ATOM 964 OG1 THR A 62 25.045 -16.614 -44.588 1.00 0.00 O ATOM 965 CG2 THR A 62 24.789 -18.791 -45.633 1.00 0.00 C ATOM 0 H THR A 62 23.297 -20.152 -44.002 1.00 0.00 H new ATOM 0 HA THR A 62 23.151 -17.460 -42.850 1.00 0.00 H new ATOM 0 HB THR A 62 25.311 -18.404 -43.588 1.00 0.00 H new ATOM 0 HG1 THR A 62 24.249 -16.066 -44.748 1.00 0.00 H new ATOM 0 HG21 THR A 62 25.808 -18.703 -46.009 1.00 0.00 H new ATOM 0 HG22 THR A 62 24.566 -19.838 -45.429 1.00 0.00 H new ATOM 0 HG23 THR A 62 24.092 -18.410 -46.380 1.00 0.00 H new ATOM 973 N GLY A 63 21.310 -18.372 -45.338 1.00 0.00 N ATOM 974 CA GLY A 63 20.324 -17.945 -46.347 1.00 0.00 C ATOM 975 C GLY A 63 20.822 -18.073 -47.793 1.00 0.00 C ATOM 976 O GLY A 63 20.046 -17.879 -48.733 1.00 0.00 O ATOM 0 H GLY A 63 21.276 -19.366 -45.114 1.00 0.00 H new ATOM 0 HA2 GLY A 63 19.418 -18.540 -46.231 1.00 0.00 H new ATOM 0 HA3 GLY A 63 20.050 -16.907 -46.157 1.00 0.00 H new ATOM 980 N GLU A 64 22.132 -18.374 -47.973 1.00 0.00 N ATOM 981 CA GLU A 64 22.720 -18.674 -49.304 1.00 0.00 C ATOM 982 C GLU A 64 22.328 -20.106 -49.702 1.00 0.00 C ATOM 983 O GLU A 64 23.116 -21.053 -49.562 1.00 0.00 O ATOM 984 CB GLU A 64 24.270 -18.490 -49.293 1.00 0.00 C ATOM 985 CG GLU A 64 24.974 -18.716 -50.654 1.00 0.00 C ATOM 986 CD GLU A 64 24.625 -17.656 -51.719 1.00 0.00 C ATOM 987 OE1 GLU A 64 23.648 -17.844 -52.483 1.00 0.00 O ATOM 988 OE2 GLU A 64 25.321 -16.615 -51.785 1.00 0.00 O ATOM 0 H GLU A 64 22.806 -18.416 -47.208 1.00 0.00 H new ATOM 0 HA GLU A 64 22.328 -17.973 -50.041 1.00 0.00 H new ATOM 0 HB2 GLU A 64 24.497 -17.481 -48.949 1.00 0.00 H new ATOM 0 HB3 GLU A 64 24.696 -19.179 -48.564 1.00 0.00 H new ATOM 0 HG2 GLU A 64 26.053 -18.720 -50.498 1.00 0.00 H new ATOM 0 HG3 GLU A 64 24.703 -19.701 -51.033 1.00 0.00 H new ATOM 995 N GLU A 65 21.067 -20.251 -50.133 1.00 0.00 N ATOM 996 CA GLU A 65 20.444 -21.558 -50.383 1.00 0.00 C ATOM 997 C GLU A 65 21.148 -22.315 -51.520 1.00 0.00 C ATOM 998 O GLU A 65 21.691 -21.716 -52.461 1.00 0.00 O ATOM 999 CB GLU A 65 18.948 -21.386 -50.724 1.00 0.00 C ATOM 1000 CG GLU A 65 18.115 -20.681 -49.638 1.00 0.00 C ATOM 1001 CD GLU A 65 16.694 -20.357 -50.115 1.00 0.00 C ATOM 1002 OE1 GLU A 65 15.769 -21.150 -49.865 1.00 0.00 O ATOM 1003 OE2 GLU A 65 16.502 -19.304 -50.766 1.00 0.00 O ATOM 0 H GLU A 65 20.448 -19.462 -50.319 1.00 0.00 H new ATOM 0 HA GLU A 65 20.544 -22.145 -49.470 1.00 0.00 H new ATOM 0 HB2 GLU A 65 18.864 -20.819 -51.651 1.00 0.00 H new ATOM 0 HB3 GLU A 65 18.517 -22.370 -50.911 1.00 0.00 H new ATOM 0 HG2 GLU A 65 18.063 -21.316 -48.753 1.00 0.00 H new ATOM 0 HG3 GLU A 65 18.615 -19.759 -49.340 1.00 0.00 H new ATOM 1010 N ILE A 66 21.122 -23.635 -51.404 1.00 0.00 N ATOM 1011 CA ILE A 66 21.812 -24.553 -52.294 1.00 0.00 C ATOM 1012 C ILE A 66 20.773 -25.410 -53.049 1.00 0.00 C ATOM 1013 O ILE A 66 19.993 -26.127 -52.420 1.00 0.00 O ATOM 1014 CB ILE A 66 22.764 -25.473 -51.466 1.00 0.00 C ATOM 1015 CG1 ILE A 66 23.781 -24.646 -50.594 1.00 0.00 C ATOM 1016 CG2 ILE A 66 23.471 -26.474 -52.381 1.00 0.00 C ATOM 1017 CD1 ILE A 66 24.662 -23.661 -51.344 1.00 0.00 C ATOM 0 H ILE A 66 20.604 -24.110 -50.665 1.00 0.00 H new ATOM 0 HA ILE A 66 22.405 -23.989 -53.014 1.00 0.00 H new ATOM 0 HB ILE A 66 22.153 -26.037 -50.761 1.00 0.00 H new ATOM 0 HG12 ILE A 66 23.218 -24.096 -49.840 1.00 0.00 H new ATOM 0 HG13 ILE A 66 24.425 -25.346 -50.063 1.00 0.00 H new ATOM 0 HG21 ILE A 66 24.130 -27.107 -51.787 1.00 0.00 H new ATOM 0 HG22 ILE A 66 22.729 -27.094 -52.884 1.00 0.00 H new ATOM 0 HG23 ILE A 66 24.058 -25.935 -53.125 1.00 0.00 H new ATOM 0 HD11 ILE A 66 25.319 -23.151 -50.640 1.00 0.00 H new ATOM 0 HD12 ILE A 66 25.263 -24.197 -52.079 1.00 0.00 H new ATOM 0 HD13 ILE A 66 24.036 -22.927 -51.852 1.00 0.00 H new ATOM 1029 N SER A 67 20.772 -25.323 -54.386 1.00 0.00 N ATOM 1030 CA SER A 67 19.797 -26.031 -55.249 1.00 0.00 C ATOM 1031 C SER A 67 20.428 -27.233 -55.994 1.00 0.00 C ATOM 1032 O SER A 67 19.697 -28.019 -56.613 1.00 0.00 O ATOM 1033 CB SER A 67 19.176 -25.012 -56.233 1.00 0.00 C ATOM 1034 OG SER A 67 20.167 -24.227 -56.872 1.00 0.00 O ATOM 0 H SER A 67 21.445 -24.761 -54.907 1.00 0.00 H new ATOM 0 HA SER A 67 19.015 -26.455 -54.619 1.00 0.00 H new ATOM 0 HB2 SER A 67 18.592 -25.542 -56.985 1.00 0.00 H new ATOM 0 HB3 SER A 67 18.487 -24.361 -55.695 1.00 0.00 H new ATOM 0 HG SER A 67 19.738 -23.596 -57.487 1.00 0.00 H new ATOM 1040 N ASN A 68 21.769 -27.378 -55.930 1.00 0.00 N ATOM 1041 CA ASN A 68 22.474 -28.546 -56.516 1.00 0.00 C ATOM 1042 C ASN A 68 23.675 -28.955 -55.654 1.00 0.00 C ATOM 1043 O ASN A 68 24.213 -28.139 -54.901 1.00 0.00 O ATOM 1044 CB ASN A 68 22.937 -28.300 -57.982 1.00 0.00 C ATOM 1045 CG ASN A 68 23.928 -27.149 -58.142 1.00 0.00 C ATOM 1046 OD1 ASN A 68 25.127 -27.312 -57.953 1.00 0.00 O ATOM 1047 ND2 ASN A 68 23.434 -25.985 -58.523 1.00 0.00 N ATOM 0 H ASN A 68 22.387 -26.703 -55.480 1.00 0.00 H new ATOM 0 HA ASN A 68 21.748 -29.359 -56.534 1.00 0.00 H new ATOM 0 HB2 ASN A 68 23.393 -29.213 -58.365 1.00 0.00 H new ATOM 0 HB3 ASN A 68 22.061 -28.099 -58.599 1.00 0.00 H new ATOM 0 HD21 ASN A 68 24.056 -25.190 -58.668 1.00 0.00 H new ATOM 0 HD22 ASN A 68 22.430 -25.881 -58.672 1.00 0.00 H new ATOM 1054 N ARG A 69 24.106 -30.213 -55.833 1.00 0.00 N ATOM 1055 CA ARG A 69 25.152 -30.861 -55.018 1.00 0.00 C ATOM 1056 C ARG A 69 26.505 -30.114 -55.095 1.00 0.00 C ATOM 1057 O ARG A 69 27.219 -30.027 -54.094 1.00 0.00 O ATOM 1058 CB ARG A 69 25.324 -32.329 -55.472 1.00 0.00 C ATOM 1059 CG ARG A 69 26.289 -33.158 -54.600 1.00 0.00 C ATOM 1060 CD ARG A 69 26.493 -34.590 -55.114 1.00 0.00 C ATOM 1061 NE ARG A 69 27.427 -35.350 -54.254 1.00 0.00 N ATOM 1062 CZ ARG A 69 28.658 -35.762 -54.611 1.00 0.00 C ATOM 1063 NH1 ARG A 69 29.170 -35.438 -55.788 1.00 0.00 N ATOM 1064 NH2 ARG A 69 29.376 -36.489 -53.765 1.00 0.00 N ATOM 0 H ARG A 69 23.732 -30.822 -56.561 1.00 0.00 H new ATOM 0 HA ARG A 69 24.830 -30.829 -53.977 1.00 0.00 H new ATOM 0 HB2 ARG A 69 24.347 -32.813 -55.472 1.00 0.00 H new ATOM 0 HB3 ARG A 69 25.685 -32.338 -56.501 1.00 0.00 H new ATOM 0 HG2 ARG A 69 27.254 -32.653 -54.558 1.00 0.00 H new ATOM 0 HG3 ARG A 69 25.905 -33.196 -53.581 1.00 0.00 H new ATOM 0 HD2 ARG A 69 25.532 -35.104 -55.152 1.00 0.00 H new ATOM 0 HD3 ARG A 69 26.879 -34.560 -56.133 1.00 0.00 H new ATOM 0 HE ARG A 69 27.112 -35.581 -53.312 1.00 0.00 H new ATOM 0 HH11 ARG A 69 28.630 -34.868 -56.440 1.00 0.00 H new ATOM 0 HH12 ARG A 69 30.104 -35.758 -56.043 1.00 0.00 H new ATOM 0 HH21 ARG A 69 28.995 -36.732 -52.851 1.00 0.00 H new ATOM 0 HH22 ARG A 69 30.309 -36.805 -54.029 1.00 0.00 H new ATOM 1078 N LYS A 70 26.822 -29.560 -56.284 1.00 0.00 N ATOM 1079 CA LYS A 70 28.071 -28.797 -56.518 1.00 0.00 C ATOM 1080 C LYS A 70 28.115 -27.585 -55.568 1.00 0.00 C ATOM 1081 O LYS A 70 29.105 -27.384 -54.854 1.00 0.00 O ATOM 1082 CB LYS A 70 28.166 -28.330 -58.010 1.00 0.00 C ATOM 1083 CG LYS A 70 29.590 -27.931 -58.516 1.00 0.00 C ATOM 1084 CD LYS A 70 30.126 -26.596 -57.921 1.00 0.00 C ATOM 1085 CE LYS A 70 31.577 -26.284 -58.317 1.00 0.00 C ATOM 1086 NZ LYS A 70 31.721 -26.032 -59.772 1.00 0.00 N ATOM 0 H LYS A 70 26.224 -29.627 -57.107 1.00 0.00 H new ATOM 0 HA LYS A 70 28.925 -29.443 -56.316 1.00 0.00 H new ATOM 0 HB2 LYS A 70 27.788 -29.131 -58.645 1.00 0.00 H new ATOM 0 HB3 LYS A 70 27.502 -27.476 -58.145 1.00 0.00 H new ATOM 0 HG2 LYS A 70 30.288 -28.731 -58.271 1.00 0.00 H new ATOM 0 HG3 LYS A 70 29.568 -27.849 -59.603 1.00 0.00 H new ATOM 0 HD2 LYS A 70 29.485 -25.778 -58.250 1.00 0.00 H new ATOM 0 HD3 LYS A 70 30.056 -26.639 -56.834 1.00 0.00 H new ATOM 0 HE2 LYS A 70 31.923 -25.411 -57.763 1.00 0.00 H new ATOM 0 HE3 LYS A 70 32.217 -27.118 -58.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 32.716 -25.826 -59.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 31.416 -26.873 -60.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 31.131 -25.220 -60.044 1.00 0.00 H new ATOM 1100 N GLN A 71 27.013 -26.803 -55.567 1.00 0.00 N ATOM 1101 CA GLN A 71 26.877 -25.586 -54.740 1.00 0.00 C ATOM 1102 C GLN A 71 27.057 -25.915 -53.236 1.00 0.00 C ATOM 1103 O GLN A 71 27.579 -25.095 -52.492 1.00 0.00 O ATOM 1104 CB GLN A 71 25.499 -24.902 -54.978 1.00 0.00 C ATOM 1105 CG GLN A 71 25.309 -24.282 -56.378 1.00 0.00 C ATOM 1106 CD GLN A 71 26.165 -23.038 -56.649 1.00 0.00 C ATOM 1107 OE1 GLN A 71 26.464 -22.265 -55.740 1.00 0.00 O ATOM 1108 NE2 GLN A 71 26.552 -22.830 -57.901 1.00 0.00 N ATOM 0 H GLN A 71 26.193 -26.999 -56.141 1.00 0.00 H new ATOM 0 HA GLN A 71 27.663 -24.893 -55.039 1.00 0.00 H new ATOM 0 HB2 GLN A 71 24.712 -25.638 -54.814 1.00 0.00 H new ATOM 0 HB3 GLN A 71 25.365 -24.120 -54.230 1.00 0.00 H new ATOM 0 HG2 GLN A 71 25.541 -25.037 -57.129 1.00 0.00 H new ATOM 0 HG3 GLN A 71 24.259 -24.019 -56.504 1.00 0.00 H new ATOM 0 HE21 GLN A 71 26.288 -23.490 -58.633 1.00 0.00 H new ATOM 0 HE22 GLN A 71 27.114 -22.010 -58.132 1.00 0.00 H new ATOM 1117 N LEU A 72 26.654 -27.138 -52.837 1.00 0.00 N ATOM 1118 CA LEU A 72 26.784 -27.632 -51.448 1.00 0.00 C ATOM 1119 C LEU A 72 28.280 -27.822 -51.105 1.00 0.00 C ATOM 1120 O LEU A 72 28.768 -27.305 -50.098 1.00 0.00 O ATOM 1121 CB LEU A 72 25.989 -28.984 -51.296 1.00 0.00 C ATOM 1122 CG LEU A 72 25.434 -29.374 -49.878 1.00 0.00 C ATOM 1123 CD1 LEU A 72 26.537 -29.552 -48.834 1.00 0.00 C ATOM 1124 CD2 LEU A 72 24.379 -28.368 -49.397 1.00 0.00 C ATOM 0 H LEU A 72 26.227 -27.815 -53.470 1.00 0.00 H new ATOM 0 HA LEU A 72 26.363 -26.906 -50.752 1.00 0.00 H new ATOM 0 HB2 LEU A 72 25.145 -28.951 -51.985 1.00 0.00 H new ATOM 0 HB3 LEU A 72 26.641 -29.791 -51.630 1.00 0.00 H new ATOM 0 HG LEU A 72 24.956 -30.347 -49.994 1.00 0.00 H new ATOM 0 HD11 LEU A 72 26.091 -29.821 -47.876 1.00 0.00 H new ATOM 0 HD12 LEU A 72 27.216 -30.343 -49.153 1.00 0.00 H new ATOM 0 HD13 LEU A 72 27.091 -28.619 -48.728 1.00 0.00 H new ATOM 0 HD21 LEU A 72 24.014 -28.665 -48.414 1.00 0.00 H new ATOM 0 HD22 LEU A 72 24.825 -27.375 -49.334 1.00 0.00 H new ATOM 0 HD23 LEU A 72 23.547 -28.348 -50.101 1.00 0.00 H new ATOM 1136 N GLU A 73 28.984 -28.549 -51.987 1.00 0.00 N ATOM 1137 CA GLU A 73 30.407 -28.929 -51.804 1.00 0.00 C ATOM 1138 C GLU A 73 31.317 -27.687 -51.724 1.00 0.00 C ATOM 1139 O GLU A 73 32.113 -27.541 -50.778 1.00 0.00 O ATOM 1140 CB GLU A 73 30.853 -29.828 -52.991 1.00 0.00 C ATOM 1141 CG GLU A 73 30.060 -31.143 -53.130 1.00 0.00 C ATOM 1142 CD GLU A 73 30.441 -31.956 -54.387 1.00 0.00 C ATOM 1143 OE1 GLU A 73 29.693 -31.916 -55.389 1.00 0.00 O ATOM 1144 OE2 GLU A 73 31.497 -32.625 -54.379 1.00 0.00 O ATOM 0 H GLU A 73 28.584 -28.896 -52.858 1.00 0.00 H new ATOM 0 HA GLU A 73 30.499 -29.473 -50.864 1.00 0.00 H new ATOM 0 HB2 GLU A 73 30.756 -29.260 -53.917 1.00 0.00 H new ATOM 0 HB3 GLU A 73 31.910 -30.067 -52.873 1.00 0.00 H new ATOM 0 HG2 GLU A 73 30.228 -31.756 -52.245 1.00 0.00 H new ATOM 0 HG3 GLU A 73 28.995 -30.915 -53.162 1.00 0.00 H new ATOM 1151 N GLN A 74 31.161 -26.789 -52.716 1.00 0.00 N ATOM 1152 CA GLN A 74 31.951 -25.554 -52.825 1.00 0.00 C ATOM 1153 C GLN A 74 31.645 -24.591 -51.657 1.00 0.00 C ATOM 1154 O GLN A 74 32.525 -23.855 -51.214 1.00 0.00 O ATOM 1155 CB GLN A 74 31.732 -24.869 -54.214 1.00 0.00 C ATOM 1156 CG GLN A 74 30.300 -24.321 -54.492 1.00 0.00 C ATOM 1157 CD GLN A 74 30.098 -22.821 -54.193 1.00 0.00 C ATOM 1158 OE1 GLN A 74 30.782 -22.233 -53.368 1.00 0.00 O ATOM 1159 NE2 GLN A 74 29.126 -22.212 -54.845 1.00 0.00 N ATOM 0 H GLN A 74 30.479 -26.903 -53.466 1.00 0.00 H new ATOM 0 HA GLN A 74 33.006 -25.821 -52.756 1.00 0.00 H new ATOM 0 HB2 GLN A 74 32.438 -24.044 -54.304 1.00 0.00 H new ATOM 0 HB3 GLN A 74 31.981 -25.588 -54.994 1.00 0.00 H new ATOM 0 HG2 GLN A 74 30.057 -24.502 -55.539 1.00 0.00 H new ATOM 0 HG3 GLN A 74 29.588 -24.892 -53.896 1.00 0.00 H new ATOM 0 HE21 GLN A 74 28.570 -22.726 -55.529 1.00 0.00 H new ATOM 0 HE22 GLN A 74 28.930 -21.227 -54.666 1.00 0.00 H new ATOM 1168 N TYR A 75 30.382 -24.622 -51.168 1.00 0.00 N ATOM 1169 CA TYR A 75 29.944 -23.830 -50.002 1.00 0.00 C ATOM 1170 C TYR A 75 30.754 -24.222 -48.761 1.00 0.00 C ATOM 1171 O TYR A 75 31.303 -23.361 -48.095 1.00 0.00 O ATOM 1172 CB TYR A 75 28.423 -24.037 -49.749 1.00 0.00 C ATOM 1173 CG TYR A 75 27.833 -23.320 -48.517 1.00 0.00 C ATOM 1174 CD1 TYR A 75 27.143 -22.105 -48.623 1.00 0.00 C ATOM 1175 CD2 TYR A 75 27.942 -23.881 -47.243 1.00 0.00 C ATOM 1176 CE1 TYR A 75 26.590 -21.496 -47.503 1.00 0.00 C ATOM 1177 CE2 TYR A 75 27.403 -23.273 -46.135 1.00 0.00 C ATOM 1178 CZ TYR A 75 26.727 -22.090 -46.263 1.00 0.00 C ATOM 1179 OH TYR A 75 26.168 -21.512 -45.142 1.00 0.00 O ATOM 0 H TYR A 75 29.643 -25.197 -51.572 1.00 0.00 H new ATOM 0 HA TYR A 75 30.118 -22.774 -50.210 1.00 0.00 H new ATOM 0 HB2 TYR A 75 27.880 -23.702 -50.633 1.00 0.00 H new ATOM 0 HB3 TYR A 75 28.235 -25.106 -49.646 1.00 0.00 H new ATOM 0 HD1 TYR A 75 27.039 -21.635 -49.590 1.00 0.00 H new ATOM 0 HD2 TYR A 75 28.464 -24.819 -47.125 1.00 0.00 H new ATOM 0 HE1 TYR A 75 26.056 -20.563 -47.601 1.00 0.00 H new ATOM 0 HE2 TYR A 75 27.513 -23.729 -45.162 1.00 0.00 H new ATOM 0 HH TYR A 75 26.416 -22.031 -44.348 1.00 0.00 H new ATOM 1189 N LEU A 76 30.818 -25.536 -48.484 1.00 0.00 N ATOM 1190 CA LEU A 76 31.412 -26.071 -47.240 1.00 0.00 C ATOM 1191 C LEU A 76 32.924 -25.791 -47.156 1.00 0.00 C ATOM 1192 O LEU A 76 33.420 -25.347 -46.116 1.00 0.00 O ATOM 1193 CB LEU A 76 31.144 -27.588 -47.124 1.00 0.00 C ATOM 1194 CG LEU A 76 29.648 -28.017 -47.064 1.00 0.00 C ATOM 1195 CD1 LEU A 76 29.523 -29.543 -46.958 1.00 0.00 C ATOM 1196 CD2 LEU A 76 28.889 -27.309 -45.921 1.00 0.00 C ATOM 0 H LEU A 76 30.462 -26.257 -49.112 1.00 0.00 H new ATOM 0 HA LEU A 76 30.935 -25.557 -46.405 1.00 0.00 H new ATOM 0 HB2 LEU A 76 31.609 -28.085 -47.975 1.00 0.00 H new ATOM 0 HB3 LEU A 76 31.643 -27.957 -46.228 1.00 0.00 H new ATOM 0 HG LEU A 76 29.179 -27.702 -47.996 1.00 0.00 H new ATOM 0 HD11 LEU A 76 28.470 -29.820 -46.917 1.00 0.00 H new ATOM 0 HD12 LEU A 76 29.987 -30.007 -47.828 1.00 0.00 H new ATOM 0 HD13 LEU A 76 30.024 -29.887 -46.053 1.00 0.00 H new ATOM 0 HD21 LEU A 76 27.850 -27.638 -45.916 1.00 0.00 H new ATOM 0 HD22 LEU A 76 29.353 -27.559 -44.967 1.00 0.00 H new ATOM 0 HD23 LEU A 76 28.928 -26.230 -46.072 1.00 0.00 H new ATOM 1208 N LYS A 77 33.644 -26.028 -48.265 1.00 0.00 N ATOM 1209 CA LYS A 77 35.105 -25.794 -48.326 1.00 0.00 C ATOM 1210 C LYS A 77 35.432 -24.278 -48.302 1.00 0.00 C ATOM 1211 O LYS A 77 36.551 -23.877 -47.977 1.00 0.00 O ATOM 1212 CB LYS A 77 35.723 -26.531 -49.559 1.00 0.00 C ATOM 1213 CG LYS A 77 35.210 -26.084 -50.960 1.00 0.00 C ATOM 1214 CD LYS A 77 36.043 -24.936 -51.586 1.00 0.00 C ATOM 1215 CE LYS A 77 35.522 -24.509 -52.966 1.00 0.00 C ATOM 1216 NZ LYS A 77 36.397 -23.493 -53.593 1.00 0.00 N ATOM 0 H LYS A 77 33.243 -26.381 -49.134 1.00 0.00 H new ATOM 0 HA LYS A 77 35.568 -26.218 -47.435 1.00 0.00 H new ATOM 0 HB2 LYS A 77 36.804 -26.396 -49.532 1.00 0.00 H new ATOM 0 HB3 LYS A 77 35.533 -27.599 -49.450 1.00 0.00 H new ATOM 0 HG2 LYS A 77 35.223 -26.941 -51.633 1.00 0.00 H new ATOM 0 HG3 LYS A 77 34.172 -25.763 -50.873 1.00 0.00 H new ATOM 0 HD2 LYS A 77 36.030 -24.077 -50.916 1.00 0.00 H new ATOM 0 HD3 LYS A 77 37.082 -25.254 -51.677 1.00 0.00 H new ATOM 0 HE2 LYS A 77 35.455 -25.382 -53.615 1.00 0.00 H new ATOM 0 HE3 LYS A 77 34.513 -24.108 -52.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 36.013 -23.230 -54.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 36.441 -22.650 -52.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 37.353 -23.884 -53.712 1.00 0.00 H new ATOM 1230 N SER A 78 34.426 -23.446 -48.655 1.00 0.00 N ATOM 1231 CA SER A 78 34.519 -21.970 -48.593 1.00 0.00 C ATOM 1232 C SER A 78 34.002 -21.425 -47.245 1.00 0.00 C ATOM 1233 O SER A 78 34.300 -20.287 -46.870 1.00 0.00 O ATOM 1234 CB SER A 78 33.704 -21.357 -49.759 1.00 0.00 C ATOM 1235 OG SER A 78 33.804 -19.938 -49.811 1.00 0.00 O ATOM 0 H SER A 78 33.524 -23.781 -48.992 1.00 0.00 H new ATOM 0 HA SER A 78 35.568 -21.688 -48.683 1.00 0.00 H new ATOM 0 HB2 SER A 78 34.054 -21.777 -50.702 1.00 0.00 H new ATOM 0 HB3 SER A 78 32.657 -21.640 -49.653 1.00 0.00 H new ATOM 0 HG SER A 78 33.275 -19.600 -50.563 1.00 0.00 H new ATOM 1241 N HIS A 79 33.217 -22.244 -46.526 1.00 0.00 N ATOM 1242 CA HIS A 79 32.548 -21.842 -45.273 1.00 0.00 C ATOM 1243 C HIS A 79 32.715 -22.954 -44.215 1.00 0.00 C ATOM 1244 O HIS A 79 31.919 -23.902 -44.188 1.00 0.00 O ATOM 1245 CB HIS A 79 31.039 -21.554 -45.520 1.00 0.00 C ATOM 1246 CG HIS A 79 30.783 -20.373 -46.413 1.00 0.00 C ATOM 1247 ND1 HIS A 79 30.330 -20.486 -47.713 1.00 0.00 N ATOM 1248 CD2 HIS A 79 30.928 -19.046 -46.187 1.00 0.00 C ATOM 1249 CE1 HIS A 79 30.218 -19.282 -48.243 1.00 0.00 C ATOM 1250 NE2 HIS A 79 30.568 -18.396 -47.338 1.00 0.00 N ATOM 0 H HIS A 79 33.026 -23.209 -46.797 1.00 0.00 H new ATOM 0 HA HIS A 79 33.011 -20.926 -44.907 1.00 0.00 H new ATOM 0 HB2 HIS A 79 30.578 -22.438 -45.961 1.00 0.00 H new ATOM 0 HB3 HIS A 79 30.550 -21.385 -44.561 1.00 0.00 H new ATOM 0 HD1 HIS A 79 30.116 -21.362 -48.189 1.00 0.00 H new ATOM 0 HD2 HIS A 79 31.265 -18.586 -45.270 1.00 0.00 H new ATOM 0 HE1 HIS A 79 29.894 -19.063 -49.250 1.00 0.00 H new ATOM 1259 N PRO A 80 33.765 -22.866 -43.338 1.00 0.00 N ATOM 1260 CA PRO A 80 33.957 -23.830 -42.232 1.00 0.00 C ATOM 1261 C PRO A 80 32.913 -23.631 -41.109 1.00 0.00 C ATOM 1262 O PRO A 80 32.242 -22.591 -41.048 1.00 0.00 O ATOM 1263 CB PRO A 80 35.400 -23.528 -41.756 1.00 0.00 C ATOM 1264 CG PRO A 80 35.598 -22.075 -42.067 1.00 0.00 C ATOM 1265 CD PRO A 80 34.833 -21.825 -43.351 1.00 0.00 C ATOM 0 HA PRO A 80 33.822 -24.868 -42.537 1.00 0.00 H new ATOM 0 HB2 PRO A 80 35.517 -23.726 -40.690 1.00 0.00 H new ATOM 0 HB3 PRO A 80 36.129 -24.149 -42.277 1.00 0.00 H new ATOM 0 HG2 PRO A 80 35.223 -21.447 -41.259 1.00 0.00 H new ATOM 0 HG3 PRO A 80 36.656 -21.841 -42.189 1.00 0.00 H new ATOM 0 HD2 PRO A 80 34.412 -20.820 -43.376 1.00 0.00 H new ATOM 0 HD3 PRO A 80 35.476 -21.923 -44.225 1.00 0.00 H new ATOM 1273 N GLY A 81 32.761 -24.650 -40.247 1.00 0.00 N ATOM 1274 CA GLY A 81 31.767 -24.622 -39.162 1.00 0.00 C ATOM 1275 C GLY A 81 30.397 -25.144 -39.585 1.00 0.00 C ATOM 1276 O GLY A 81 29.480 -25.237 -38.762 1.00 0.00 O ATOM 0 H GLY A 81 33.316 -25.505 -40.281 1.00 0.00 H new ATOM 0 HA2 GLY A 81 32.134 -25.219 -38.327 1.00 0.00 H new ATOM 0 HA3 GLY A 81 31.663 -23.599 -38.801 1.00 0.00 H new ATOM 1280 N ASN A 82 30.253 -25.472 -40.879 1.00 0.00 N ATOM 1281 CA ASN A 82 29.008 -26.040 -41.449 1.00 0.00 C ATOM 1282 C ASN A 82 29.122 -27.586 -41.538 1.00 0.00 C ATOM 1283 O ASN A 82 30.222 -28.104 -41.786 1.00 0.00 O ATOM 1284 CB ASN A 82 28.750 -25.427 -42.854 1.00 0.00 C ATOM 1285 CG ASN A 82 28.414 -23.934 -42.802 1.00 0.00 C ATOM 1286 OD1 ASN A 82 27.244 -23.552 -42.757 1.00 0.00 O ATOM 1287 ND2 ASN A 82 29.434 -23.087 -42.798 1.00 0.00 N ATOM 0 H ASN A 82 30.997 -25.352 -41.567 1.00 0.00 H new ATOM 0 HA ASN A 82 28.167 -25.795 -40.800 1.00 0.00 H new ATOM 0 HB2 ASN A 82 29.633 -25.574 -43.476 1.00 0.00 H new ATOM 0 HB3 ASN A 82 27.930 -25.962 -43.333 1.00 0.00 H new ATOM 0 HD21 ASN A 82 29.263 -22.082 -42.757 1.00 0.00 H new ATOM 0 HD22 ASN A 82 30.390 -23.440 -42.836 1.00 0.00 H new ATOM 1294 N PRO A 83 27.998 -28.352 -41.324 1.00 0.00 N ATOM 1295 CA PRO A 83 28.014 -29.836 -41.405 1.00 0.00 C ATOM 1296 C PRO A 83 28.318 -30.332 -42.839 1.00 0.00 C ATOM 1297 O PRO A 83 27.895 -29.715 -43.823 1.00 0.00 O ATOM 1298 CB PRO A 83 26.596 -30.248 -40.921 1.00 0.00 C ATOM 1299 CG PRO A 83 25.743 -29.047 -41.176 1.00 0.00 C ATOM 1300 CD PRO A 83 26.644 -27.843 -40.988 1.00 0.00 C ATOM 0 HA PRO A 83 28.801 -30.283 -40.798 1.00 0.00 H new ATOM 0 HB2 PRO A 83 26.229 -31.117 -41.466 1.00 0.00 H new ATOM 0 HB3 PRO A 83 26.600 -30.513 -39.864 1.00 0.00 H new ATOM 0 HG2 PRO A 83 25.329 -29.070 -42.184 1.00 0.00 H new ATOM 0 HG3 PRO A 83 24.900 -29.014 -40.486 1.00 0.00 H new ATOM 0 HD2 PRO A 83 26.353 -27.021 -41.642 1.00 0.00 H new ATOM 0 HD3 PRO A 83 26.601 -27.468 -39.965 1.00 0.00 H new ATOM 1308 N ALA A 84 29.057 -31.455 -42.918 1.00 0.00 N ATOM 1309 CA ALA A 84 29.612 -31.987 -44.180 1.00 0.00 C ATOM 1310 C ALA A 84 28.520 -32.561 -45.103 1.00 0.00 C ATOM 1311 O ALA A 84 27.420 -32.860 -44.662 1.00 0.00 O ATOM 1312 CB ALA A 84 30.681 -33.050 -43.872 1.00 0.00 C ATOM 0 H ALA A 84 29.288 -32.023 -42.103 1.00 0.00 H new ATOM 0 HA ALA A 84 30.072 -31.157 -44.717 1.00 0.00 H new ATOM 0 HB1 ALA A 84 31.087 -33.439 -44.806 1.00 0.00 H new ATOM 0 HB2 ALA A 84 31.483 -32.600 -43.287 1.00 0.00 H new ATOM 0 HB3 ALA A 84 30.231 -33.865 -43.305 1.00 0.00 H new ATOM 1318 N ILE A 85 28.846 -32.723 -46.394 1.00 0.00 N ATOM 1319 CA ILE A 85 27.906 -33.278 -47.391 1.00 0.00 C ATOM 1320 C ILE A 85 27.744 -34.812 -47.207 1.00 0.00 C ATOM 1321 O ILE A 85 26.778 -35.414 -47.697 1.00 0.00 O ATOM 1322 CB ILE A 85 28.349 -32.904 -48.856 1.00 0.00 C ATOM 1323 CG1 ILE A 85 27.222 -33.250 -49.882 1.00 0.00 C ATOM 1324 CG2 ILE A 85 29.697 -33.561 -49.236 1.00 0.00 C ATOM 1325 CD1 ILE A 85 27.485 -32.798 -51.297 1.00 0.00 C ATOM 0 H ILE A 85 29.758 -32.477 -46.778 1.00 0.00 H new ATOM 0 HA ILE A 85 26.928 -32.827 -47.226 1.00 0.00 H new ATOM 0 HB ILE A 85 28.509 -31.826 -48.890 1.00 0.00 H new ATOM 0 HG12 ILE A 85 27.072 -34.330 -49.884 1.00 0.00 H new ATOM 0 HG13 ILE A 85 26.290 -32.800 -49.540 1.00 0.00 H new ATOM 0 HG21 ILE A 85 29.966 -33.278 -50.254 1.00 0.00 H new ATOM 0 HG22 ILE A 85 30.473 -33.224 -48.548 1.00 0.00 H new ATOM 0 HG23 ILE A 85 29.604 -34.645 -49.174 1.00 0.00 H new ATOM 0 HD11 ILE A 85 26.647 -33.084 -51.932 1.00 0.00 H new ATOM 0 HD12 ILE A 85 27.602 -31.714 -51.317 1.00 0.00 H new ATOM 0 HD13 ILE A 85 28.397 -33.268 -51.666 1.00 0.00 H new ATOM 1337 N ALA A 86 28.682 -35.416 -46.443 1.00 0.00 N ATOM 1338 CA ALA A 86 28.658 -36.849 -46.069 1.00 0.00 C ATOM 1339 C ALA A 86 27.387 -37.220 -45.269 1.00 0.00 C ATOM 1340 O ALA A 86 26.856 -38.328 -45.404 1.00 0.00 O ATOM 1341 CB ALA A 86 29.923 -37.194 -45.259 1.00 0.00 C ATOM 0 H ALA A 86 29.487 -34.916 -46.064 1.00 0.00 H new ATOM 0 HA ALA A 86 28.640 -37.435 -46.988 1.00 0.00 H new ATOM 0 HB1 ALA A 86 29.903 -38.249 -44.985 1.00 0.00 H new ATOM 0 HB2 ALA A 86 30.808 -36.993 -45.863 1.00 0.00 H new ATOM 0 HB3 ALA A 86 29.954 -36.585 -44.356 1.00 0.00 H new ATOM 1347 N GLU A 87 26.912 -36.276 -44.448 1.00 0.00 N ATOM 1348 CA GLU A 87 25.724 -36.459 -43.584 1.00 0.00 C ATOM 1349 C GLU A 87 24.460 -35.848 -44.235 1.00 0.00 C ATOM 1350 O GLU A 87 23.359 -35.951 -43.679 1.00 0.00 O ATOM 1351 CB GLU A 87 26.022 -35.840 -42.194 1.00 0.00 C ATOM 1352 CG GLU A 87 26.433 -34.355 -42.247 1.00 0.00 C ATOM 1353 CD GLU A 87 27.040 -33.841 -40.944 1.00 0.00 C ATOM 1354 OE1 GLU A 87 28.270 -33.631 -40.875 1.00 0.00 O ATOM 1355 OE2 GLU A 87 26.304 -33.665 -39.964 1.00 0.00 O ATOM 0 H GLU A 87 27.340 -35.354 -44.359 1.00 0.00 H new ATOM 0 HA GLU A 87 25.518 -37.522 -43.459 1.00 0.00 H new ATOM 0 HB2 GLU A 87 25.137 -35.940 -41.565 1.00 0.00 H new ATOM 0 HB3 GLU A 87 26.818 -36.411 -41.716 1.00 0.00 H new ATOM 0 HG2 GLU A 87 27.153 -34.215 -43.053 1.00 0.00 H new ATOM 0 HG3 GLU A 87 25.558 -33.753 -42.492 1.00 0.00 H new ATOM 1362 N PHE A 88 24.629 -35.218 -45.411 1.00 0.00 N ATOM 1363 CA PHE A 88 23.513 -34.655 -46.203 1.00 0.00 C ATOM 1364 C PHE A 88 22.982 -35.703 -47.185 1.00 0.00 C ATOM 1365 O PHE A 88 23.720 -36.601 -47.609 1.00 0.00 O ATOM 1366 CB PHE A 88 23.964 -33.382 -46.980 1.00 0.00 C ATOM 1367 CG PHE A 88 24.116 -32.121 -46.126 1.00 0.00 C ATOM 1368 CD1 PHE A 88 23.932 -30.864 -46.687 1.00 0.00 C ATOM 1369 CD2 PHE A 88 24.440 -32.186 -44.771 1.00 0.00 C ATOM 1370 CE1 PHE A 88 24.071 -29.724 -45.929 1.00 0.00 C ATOM 1371 CE2 PHE A 88 24.578 -31.046 -44.020 1.00 0.00 C ATOM 1372 CZ PHE A 88 24.394 -29.816 -44.600 1.00 0.00 C ATOM 0 H PHE A 88 25.543 -35.083 -45.842 1.00 0.00 H new ATOM 0 HA PHE A 88 22.718 -34.372 -45.513 1.00 0.00 H new ATOM 0 HB2 PHE A 88 24.917 -33.590 -47.466 1.00 0.00 H new ATOM 0 HB3 PHE A 88 23.240 -33.182 -47.770 1.00 0.00 H new ATOM 0 HD1 PHE A 88 23.676 -30.780 -47.733 1.00 0.00 H new ATOM 0 HD2 PHE A 88 24.585 -33.150 -44.305 1.00 0.00 H new ATOM 0 HE1 PHE A 88 23.925 -28.755 -46.382 1.00 0.00 H new ATOM 0 HE2 PHE A 88 24.831 -31.117 -42.973 1.00 0.00 H new ATOM 0 HZ PHE A 88 24.504 -28.919 -44.008 1.00 0.00 H new ATOM 1382 N ASP A 89 21.699 -35.580 -47.533 1.00 0.00 N ATOM 1383 CA ASP A 89 21.030 -36.471 -48.494 1.00 0.00 C ATOM 1384 C ASP A 89 20.497 -35.655 -49.682 1.00 0.00 C ATOM 1385 O ASP A 89 19.691 -34.746 -49.500 1.00 0.00 O ATOM 1386 CB ASP A 89 19.865 -37.220 -47.792 1.00 0.00 C ATOM 1387 CG ASP A 89 19.059 -38.111 -48.742 1.00 0.00 C ATOM 1388 OD1 ASP A 89 19.309 -39.326 -48.804 1.00 0.00 O ATOM 1389 OD2 ASP A 89 18.165 -37.591 -49.424 1.00 0.00 O ATOM 0 H ASP A 89 21.088 -34.856 -47.155 1.00 0.00 H new ATOM 0 HA ASP A 89 21.748 -37.202 -48.865 1.00 0.00 H new ATOM 0 HB2 ASP A 89 20.269 -37.832 -46.986 1.00 0.00 H new ATOM 0 HB3 ASP A 89 19.197 -36.491 -47.334 1.00 0.00 H new ATOM 1394 N TRP A 90 20.932 -36.015 -50.892 1.00 0.00 N ATOM 1395 CA TRP A 90 20.401 -35.459 -52.157 1.00 0.00 C ATOM 1396 C TRP A 90 19.620 -36.540 -52.938 1.00 0.00 C ATOM 1397 O TRP A 90 19.032 -36.248 -53.982 1.00 0.00 O ATOM 1398 CB TRP A 90 21.565 -34.896 -53.028 1.00 0.00 C ATOM 1399 CG TRP A 90 22.193 -33.633 -52.477 1.00 0.00 C ATOM 1400 CD1 TRP A 90 23.224 -33.527 -51.585 1.00 0.00 C ATOM 1401 CD2 TRP A 90 21.789 -32.289 -52.782 1.00 0.00 C ATOM 1402 NE1 TRP A 90 23.499 -32.204 -51.339 1.00 0.00 N ATOM 1403 CE2 TRP A 90 22.628 -31.427 -52.063 1.00 0.00 C ATOM 1404 CE3 TRP A 90 20.806 -31.735 -53.607 1.00 0.00 C ATOM 1405 CZ2 TRP A 90 22.507 -30.049 -52.129 1.00 0.00 C ATOM 1406 CZ3 TRP A 90 20.686 -30.362 -53.669 1.00 0.00 C ATOM 1407 CH2 TRP A 90 21.537 -29.532 -52.939 1.00 0.00 C ATOM 0 H TRP A 90 21.669 -36.706 -51.032 1.00 0.00 H new ATOM 0 HA TRP A 90 19.717 -34.645 -51.918 1.00 0.00 H new ATOM 0 HB2 TRP A 90 22.336 -35.661 -53.124 1.00 0.00 H new ATOM 0 HB3 TRP A 90 21.190 -34.695 -54.031 1.00 0.00 H new ATOM 0 HD1 TRP A 90 23.746 -34.361 -51.139 1.00 0.00 H new ATOM 0 HE1 TRP A 90 24.231 -31.855 -50.720 1.00 0.00 H new ATOM 0 HE3 TRP A 90 20.152 -32.371 -54.186 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 23.159 -29.404 -51.558 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 19.921 -29.923 -54.292 1.00 0.00 H new ATOM 0 HH2 TRP A 90 21.427 -28.460 -53.016 1.00 0.00 H new ATOM 1418 N THR A 91 19.584 -37.773 -52.391 1.00 0.00 N ATOM 1419 CA THR A 91 19.106 -38.974 -53.109 1.00 0.00 C ATOM 1420 C THR A 91 17.725 -39.453 -52.592 1.00 0.00 C ATOM 1421 O THR A 91 17.298 -40.575 -52.899 1.00 0.00 O ATOM 1422 CB THR A 91 20.185 -40.127 -53.047 1.00 0.00 C ATOM 1423 OG1 THR A 91 19.791 -41.256 -53.851 1.00 0.00 O ATOM 1424 CG2 THR A 91 20.462 -40.606 -51.614 1.00 0.00 C ATOM 0 H THR A 91 19.887 -37.965 -51.436 1.00 0.00 H new ATOM 0 HA THR A 91 18.966 -38.698 -54.154 1.00 0.00 H new ATOM 0 HB THR A 91 21.103 -39.694 -53.444 1.00 0.00 H new ATOM 0 HG1 THR A 91 18.824 -41.394 -53.770 1.00 0.00 H new ATOM 0 HG21 THR A 91 21.211 -41.398 -51.633 1.00 0.00 H new ATOM 0 HG22 THR A 91 20.831 -39.772 -51.017 1.00 0.00 H new ATOM 0 HG23 THR A 91 19.541 -40.988 -51.174 1.00 0.00 H new