USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=12 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 67 SER OG : rot 27:sc= 0.462 USER MOD Set 1.2: A 68 ASN : amide:sc= -0.192 K(o=0.27,f=-5.3!) USER MOD Single : A 30 SER OG : rot 42:sc= 0.0869 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -173:sc= 0.52 (180deg=0.371) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -33:sc= 0.286 USER MOD Single : A 70 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.046) USER MOD Single : A 71 GLN : amide:sc= -0.176 X(o=-0.18,f=-0.32) USER MOD Single : A 74 GLN : amide:sc=-0.00831 K(o=-0.0083,f=-1.6!) USER MOD Single : A 75 TYR OH : rot 180:sc= -0.894 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot -28:sc= 0.194 USER MOD Single : A 79 HIS : no HE2:sc= 0.233 K(o=0.23,f=-1.1) USER MOD Single : A 82 ASN : amide:sc= -1.11 X(o=-1.1,f=-1.6) USER MOD Single : A 91 THR OG1 : rot -37:sc= 0.8 USER MOD ----------------------------------------------------------------- ATOM 429 N VAL A 29 3.394 -28.293 -54.450 1.00 0.00 N ATOM 430 CA VAL A 29 3.682 -29.238 -53.358 1.00 0.00 C ATOM 431 C VAL A 29 5.211 -29.423 -53.193 1.00 0.00 C ATOM 432 O VAL A 29 5.941 -29.654 -54.165 1.00 0.00 O ATOM 433 CB VAL A 29 2.946 -30.625 -53.559 1.00 0.00 C ATOM 434 CG1 VAL A 29 1.404 -30.434 -53.510 1.00 0.00 C ATOM 435 CG2 VAL A 29 3.378 -31.334 -54.879 1.00 0.00 C ATOM 0 HA VAL A 29 3.287 -28.810 -52.437 1.00 0.00 H new ATOM 0 HB VAL A 29 3.245 -31.275 -52.737 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.913 -31.397 -53.650 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.119 -30.019 -52.543 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.097 -29.752 -54.303 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.847 -32.281 -54.974 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.138 -30.697 -55.730 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.452 -31.520 -54.857 1.00 0.00 H new ATOM 445 N SER A 30 5.687 -29.257 -51.948 1.00 0.00 N ATOM 446 CA SER A 30 7.097 -29.443 -51.576 1.00 0.00 C ATOM 447 C SER A 30 7.160 -30.091 -50.181 1.00 0.00 C ATOM 448 O SER A 30 6.681 -29.517 -49.199 1.00 0.00 O ATOM 449 CB SER A 30 7.845 -28.086 -51.618 1.00 0.00 C ATOM 450 OG SER A 30 7.163 -27.085 -50.877 1.00 0.00 O ATOM 0 H SER A 30 5.095 -28.986 -51.163 1.00 0.00 H new ATOM 0 HA SER A 30 7.592 -30.104 -52.288 1.00 0.00 H new ATOM 0 HB2 SER A 30 8.851 -28.213 -51.218 1.00 0.00 H new ATOM 0 HB3 SER A 30 7.953 -27.762 -52.653 1.00 0.00 H new ATOM 0 HG SER A 30 6.829 -27.469 -50.039 1.00 0.00 H new ATOM 456 N VAL A 31 7.739 -31.297 -50.109 1.00 0.00 N ATOM 457 CA VAL A 31 7.794 -32.104 -48.882 1.00 0.00 C ATOM 458 C VAL A 31 9.183 -31.944 -48.248 1.00 0.00 C ATOM 459 O VAL A 31 10.193 -32.314 -48.848 1.00 0.00 O ATOM 460 CB VAL A 31 7.496 -33.625 -49.179 1.00 0.00 C ATOM 461 CG1 VAL A 31 7.561 -34.479 -47.884 1.00 0.00 C ATOM 462 CG2 VAL A 31 6.128 -33.793 -49.903 1.00 0.00 C ATOM 0 H VAL A 31 8.187 -31.745 -50.909 1.00 0.00 H new ATOM 0 HA VAL A 31 7.027 -31.753 -48.192 1.00 0.00 H new ATOM 0 HB VAL A 31 8.274 -33.992 -49.848 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.351 -35.521 -48.125 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.556 -34.401 -47.446 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.822 -34.115 -47.171 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.946 -34.850 -50.096 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.332 -33.397 -49.273 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.147 -33.249 -50.848 1.00 0.00 H new ATOM 472 N GLU A 32 9.221 -31.354 -47.046 1.00 0.00 N ATOM 473 CA GLU A 32 10.461 -31.110 -46.306 1.00 0.00 C ATOM 474 C GLU A 32 10.905 -32.398 -45.585 1.00 0.00 C ATOM 475 O GLU A 32 10.286 -32.823 -44.604 1.00 0.00 O ATOM 476 CB GLU A 32 10.260 -29.936 -45.311 1.00 0.00 C ATOM 477 CG GLU A 32 9.853 -28.608 -45.989 1.00 0.00 C ATOM 478 CD GLU A 32 9.704 -27.442 -45.001 1.00 0.00 C ATOM 479 OE1 GLU A 32 8.583 -27.200 -44.510 1.00 0.00 O ATOM 480 OE2 GLU A 32 10.708 -26.758 -44.706 1.00 0.00 O ATOM 0 H GLU A 32 8.385 -31.031 -46.559 1.00 0.00 H new ATOM 0 HA GLU A 32 11.252 -30.827 -47.000 1.00 0.00 H new ATOM 0 HB2 GLU A 32 9.494 -30.213 -44.586 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.184 -29.781 -44.755 1.00 0.00 H new ATOM 0 HG2 GLU A 32 10.600 -28.347 -46.738 1.00 0.00 H new ATOM 0 HG3 GLU A 32 8.910 -28.751 -46.516 1.00 0.00 H new ATOM 487 N LEU A 33 11.957 -33.032 -46.127 1.00 0.00 N ATOM 488 CA LEU A 33 12.558 -34.273 -45.579 1.00 0.00 C ATOM 489 C LEU A 33 13.559 -33.915 -44.454 1.00 0.00 C ATOM 490 O LEU A 33 13.950 -32.749 -44.349 1.00 0.00 O ATOM 491 CB LEU A 33 13.227 -35.085 -46.750 1.00 0.00 C ATOM 492 CG LEU A 33 12.289 -36.047 -47.544 1.00 0.00 C ATOM 493 CD1 LEU A 33 11.798 -37.211 -46.659 1.00 0.00 C ATOM 494 CD2 LEU A 33 11.111 -35.296 -48.169 1.00 0.00 C ATOM 0 H LEU A 33 12.425 -32.698 -46.969 1.00 0.00 H new ATOM 0 HA LEU A 33 11.791 -34.908 -45.135 1.00 0.00 H new ATOM 0 HB2 LEU A 33 13.665 -34.376 -47.453 1.00 0.00 H new ATOM 0 HB3 LEU A 33 14.048 -35.671 -46.336 1.00 0.00 H new ATOM 0 HG LEU A 33 12.877 -36.472 -48.358 1.00 0.00 H new ATOM 0 HD11 LEU A 33 11.147 -37.862 -47.242 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.655 -37.782 -46.300 1.00 0.00 H new ATOM 0 HD13 LEU A 33 11.245 -36.813 -45.808 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.480 -35.998 -48.714 1.00 0.00 H new ATOM 0 HD22 LEU A 33 10.527 -34.817 -47.383 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.486 -34.537 -48.856 1.00 0.00 H new ATOM 506 N PRO A 34 13.990 -34.896 -43.576 1.00 0.00 N ATOM 507 CA PRO A 34 14.870 -34.587 -42.420 1.00 0.00 C ATOM 508 C PRO A 34 16.256 -34.041 -42.834 1.00 0.00 C ATOM 509 O PRO A 34 16.787 -34.377 -43.902 1.00 0.00 O ATOM 510 CB PRO A 34 14.986 -35.944 -41.673 1.00 0.00 C ATOM 511 CG PRO A 34 14.713 -36.971 -42.726 1.00 0.00 C ATOM 512 CD PRO A 34 13.655 -36.351 -43.606 1.00 0.00 C ATOM 0 HA PRO A 34 14.456 -33.790 -41.802 1.00 0.00 H new ATOM 0 HB2 PRO A 34 15.977 -36.075 -41.237 1.00 0.00 H new ATOM 0 HB3 PRO A 34 14.267 -36.011 -40.856 1.00 0.00 H new ATOM 0 HG2 PRO A 34 15.614 -37.203 -43.294 1.00 0.00 H new ATOM 0 HG3 PRO A 34 14.364 -37.905 -42.286 1.00 0.00 H new ATOM 0 HD2 PRO A 34 13.690 -36.751 -44.619 1.00 0.00 H new ATOM 0 HD3 PRO A 34 12.652 -36.541 -43.223 1.00 0.00 H new ATOM 520 N ALA A 35 16.822 -33.202 -41.957 1.00 0.00 N ATOM 521 CA ALA A 35 18.069 -32.460 -42.207 1.00 0.00 C ATOM 522 C ALA A 35 18.921 -32.397 -40.920 1.00 0.00 C ATOM 523 O ALA A 35 18.420 -32.757 -39.845 1.00 0.00 O ATOM 524 CB ALA A 35 17.710 -31.036 -42.682 1.00 0.00 C ATOM 0 H ALA A 35 16.421 -33.015 -41.038 1.00 0.00 H new ATOM 0 HA ALA A 35 18.652 -32.968 -42.975 1.00 0.00 H new ATOM 0 HB1 ALA A 35 18.625 -30.474 -42.871 1.00 0.00 H new ATOM 0 HB2 ALA A 35 17.124 -31.095 -43.599 1.00 0.00 H new ATOM 0 HB3 ALA A 35 17.127 -30.531 -41.911 1.00 0.00 H new ATOM 530 N PRO A 36 20.234 -31.971 -41.003 1.00 0.00 N ATOM 531 CA PRO A 36 20.990 -31.521 -39.807 1.00 0.00 C ATOM 532 C PRO A 36 20.341 -30.252 -39.198 1.00 0.00 C ATOM 533 O PRO A 36 19.668 -29.503 -39.909 1.00 0.00 O ATOM 534 CB PRO A 36 22.415 -31.219 -40.361 1.00 0.00 C ATOM 535 CG PRO A 36 22.212 -30.990 -41.831 1.00 0.00 C ATOM 536 CD PRO A 36 21.083 -31.918 -42.234 1.00 0.00 C ATOM 0 HA PRO A 36 21.004 -32.260 -39.006 1.00 0.00 H new ATOM 0 HB2 PRO A 36 22.849 -30.343 -39.880 1.00 0.00 H new ATOM 0 HB3 PRO A 36 23.095 -32.052 -40.180 1.00 0.00 H new ATOM 0 HG2 PRO A 36 21.957 -29.950 -42.034 1.00 0.00 H new ATOM 0 HG3 PRO A 36 23.120 -31.211 -42.392 1.00 0.00 H new ATOM 0 HD2 PRO A 36 20.529 -31.532 -43.090 1.00 0.00 H new ATOM 0 HD3 PRO A 36 21.452 -32.905 -42.512 1.00 0.00 H new ATOM 544 N SER A 37 20.572 -30.023 -37.892 1.00 0.00 N ATOM 545 CA SER A 37 20.041 -28.847 -37.158 1.00 0.00 C ATOM 546 C SER A 37 20.579 -27.521 -37.746 1.00 0.00 C ATOM 547 O SER A 37 19.966 -26.461 -37.582 1.00 0.00 O ATOM 548 CB SER A 37 20.409 -28.950 -35.655 1.00 0.00 C ATOM 549 OG SER A 37 19.968 -30.182 -35.096 1.00 0.00 O ATOM 0 H SER A 37 21.132 -30.646 -37.310 1.00 0.00 H new ATOM 0 HA SER A 37 18.956 -28.845 -37.267 1.00 0.00 H new ATOM 0 HB2 SER A 37 21.489 -28.861 -35.536 1.00 0.00 H new ATOM 0 HB3 SER A 37 19.959 -28.120 -35.111 1.00 0.00 H new ATOM 0 HG SER A 37 20.216 -30.219 -34.149 1.00 0.00 H new ATOM 555 N SER A 38 21.740 -27.615 -38.422 1.00 0.00 N ATOM 556 CA SER A 38 22.410 -26.482 -39.068 1.00 0.00 C ATOM 557 C SER A 38 21.645 -26.002 -40.330 1.00 0.00 C ATOM 558 O SER A 38 21.565 -24.802 -40.603 1.00 0.00 O ATOM 559 CB SER A 38 23.836 -26.917 -39.454 1.00 0.00 C ATOM 560 OG SER A 38 24.496 -27.532 -38.360 1.00 0.00 O ATOM 0 H SER A 38 22.242 -28.496 -38.533 1.00 0.00 H new ATOM 0 HA SER A 38 22.437 -25.646 -38.369 1.00 0.00 H new ATOM 0 HB2 SER A 38 23.793 -27.611 -40.294 1.00 0.00 H new ATOM 0 HB3 SER A 38 24.407 -26.050 -39.786 1.00 0.00 H new ATOM 0 HG SER A 38 25.399 -27.800 -38.631 1.00 0.00 H new ATOM 566 N TRP A 39 21.094 -26.966 -41.095 1.00 0.00 N ATOM 567 CA TRP A 39 20.439 -26.717 -42.403 1.00 0.00 C ATOM 568 C TRP A 39 18.959 -27.144 -42.371 1.00 0.00 C ATOM 569 O TRP A 39 18.408 -27.461 -41.316 1.00 0.00 O ATOM 570 CB TRP A 39 21.181 -27.509 -43.528 1.00 0.00 C ATOM 571 CG TRP A 39 22.526 -26.959 -43.927 1.00 0.00 C ATOM 572 CD1 TRP A 39 23.652 -26.841 -43.152 1.00 0.00 C ATOM 573 CD2 TRP A 39 22.891 -26.489 -45.225 1.00 0.00 C ATOM 574 NE1 TRP A 39 24.679 -26.315 -43.889 1.00 0.00 N ATOM 575 CE2 TRP A 39 24.235 -26.091 -45.164 1.00 0.00 C ATOM 576 CE3 TRP A 39 22.203 -26.357 -46.432 1.00 0.00 C ATOM 577 CZ2 TRP A 39 24.906 -25.589 -46.265 1.00 0.00 C ATOM 578 CZ3 TRP A 39 22.868 -25.854 -47.526 1.00 0.00 C ATOM 579 CH2 TRP A 39 24.211 -25.469 -47.437 1.00 0.00 C ATOM 0 H TRP A 39 21.089 -27.949 -40.823 1.00 0.00 H new ATOM 0 HA TRP A 39 20.489 -25.648 -42.608 1.00 0.00 H new ATOM 0 HB2 TRP A 39 21.312 -28.539 -43.197 1.00 0.00 H new ATOM 0 HB3 TRP A 39 20.542 -27.537 -44.411 1.00 0.00 H new ATOM 0 HD1 TRP A 39 23.719 -27.122 -42.111 1.00 0.00 H new ATOM 0 HE1 TRP A 39 25.620 -26.122 -43.545 1.00 0.00 H new ATOM 0 HE3 TRP A 39 21.165 -26.645 -46.506 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 25.945 -25.301 -46.201 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 22.347 -25.755 -48.467 1.00 0.00 H new ATOM 0 HH2 TRP A 39 24.707 -25.070 -48.309 1.00 0.00 H new ATOM 590 N LYS A 40 18.332 -27.102 -43.558 1.00 0.00 N ATOM 591 CA LYS A 40 17.016 -27.691 -43.828 1.00 0.00 C ATOM 592 C LYS A 40 17.054 -28.372 -45.212 1.00 0.00 C ATOM 593 O LYS A 40 17.752 -27.925 -46.123 1.00 0.00 O ATOM 594 CB LYS A 40 15.877 -26.629 -43.702 1.00 0.00 C ATOM 595 CG LYS A 40 15.270 -26.504 -42.278 1.00 0.00 C ATOM 596 CD LYS A 40 14.106 -25.498 -42.209 1.00 0.00 C ATOM 597 CE LYS A 40 14.539 -24.089 -42.624 1.00 0.00 C ATOM 598 NZ LYS A 40 13.431 -23.119 -42.524 1.00 0.00 N ATOM 0 H LYS A 40 18.739 -26.646 -44.375 1.00 0.00 H new ATOM 0 HA LYS A 40 16.788 -28.449 -43.079 1.00 0.00 H new ATOM 0 HB2 LYS A 40 16.268 -25.657 -44.003 1.00 0.00 H new ATOM 0 HB3 LYS A 40 15.081 -26.883 -44.402 1.00 0.00 H new ATOM 0 HG2 LYS A 40 14.918 -27.482 -41.951 1.00 0.00 H new ATOM 0 HG3 LYS A 40 16.050 -26.197 -41.581 1.00 0.00 H new ATOM 0 HD2 LYS A 40 13.297 -25.834 -42.858 1.00 0.00 H new ATOM 0 HD3 LYS A 40 13.710 -25.471 -41.194 1.00 0.00 H new ATOM 0 HE2 LYS A 40 15.365 -23.763 -41.992 1.00 0.00 H new ATOM 0 HE3 LYS A 40 14.911 -24.111 -43.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 13.766 -22.178 -42.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 12.652 -23.416 -43.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 13.093 -23.079 -41.541 1.00 0.00 H new ATOM 612 N LYS A 41 16.347 -29.497 -45.310 1.00 0.00 N ATOM 613 CA LYS A 41 16.232 -30.335 -46.514 1.00 0.00 C ATOM 614 C LYS A 41 14.782 -30.290 -47.005 1.00 0.00 C ATOM 615 O LYS A 41 13.854 -30.690 -46.298 1.00 0.00 O ATOM 616 CB LYS A 41 16.685 -31.785 -46.162 1.00 0.00 C ATOM 617 CG LYS A 41 16.169 -32.931 -47.065 1.00 0.00 C ATOM 618 CD LYS A 41 16.602 -32.835 -48.540 1.00 0.00 C ATOM 619 CE LYS A 41 16.122 -34.051 -49.348 1.00 0.00 C ATOM 620 NZ LYS A 41 16.611 -35.328 -48.754 1.00 0.00 N ATOM 0 H LYS A 41 15.815 -29.869 -44.523 1.00 0.00 H new ATOM 0 HA LYS A 41 16.873 -29.968 -47.316 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.775 -31.810 -46.175 1.00 0.00 H new ATOM 0 HB3 LYS A 41 16.374 -31.996 -45.139 1.00 0.00 H new ATOM 0 HG2 LYS A 41 16.519 -33.880 -46.659 1.00 0.00 H new ATOM 0 HG3 LYS A 41 15.080 -32.947 -47.021 1.00 0.00 H new ATOM 0 HD2 LYS A 41 16.199 -31.923 -48.980 1.00 0.00 H new ATOM 0 HD3 LYS A 41 17.688 -32.764 -48.598 1.00 0.00 H new ATOM 0 HE2 LYS A 41 15.033 -34.059 -49.384 1.00 0.00 H new ATOM 0 HE3 LYS A 41 16.474 -33.968 -50.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 16.371 -36.119 -49.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 17.643 -35.282 -48.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 16.160 -35.475 -47.828 1.00 0.00 H new ATOM 634 N LEU A 42 14.607 -29.783 -48.219 1.00 0.00 N ATOM 635 CA LEU A 42 13.320 -29.733 -48.907 1.00 0.00 C ATOM 636 C LEU A 42 13.447 -30.533 -50.213 1.00 0.00 C ATOM 637 O LEU A 42 14.360 -30.316 -51.006 1.00 0.00 O ATOM 638 CB LEU A 42 12.912 -28.241 -49.127 1.00 0.00 C ATOM 639 CG LEU A 42 11.576 -27.943 -49.911 1.00 0.00 C ATOM 640 CD1 LEU A 42 10.919 -26.612 -49.464 1.00 0.00 C ATOM 641 CD2 LEU A 42 11.813 -27.913 -51.434 1.00 0.00 C ATOM 0 H LEU A 42 15.371 -29.386 -48.766 1.00 0.00 H new ATOM 0 HA LEU A 42 12.523 -30.187 -48.318 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.836 -27.768 -48.148 1.00 0.00 H new ATOM 0 HB3 LEU A 42 13.727 -27.747 -49.657 1.00 0.00 H new ATOM 0 HG LEU A 42 10.894 -28.758 -49.671 1.00 0.00 H new ATOM 0 HD11 LEU A 42 10.003 -26.450 -50.032 1.00 0.00 H new ATOM 0 HD12 LEU A 42 10.683 -26.662 -48.401 1.00 0.00 H new ATOM 0 HD13 LEU A 42 11.608 -25.787 -49.645 1.00 0.00 H new ATOM 0 HD21 LEU A 42 10.873 -27.705 -51.945 1.00 0.00 H new ATOM 0 HD22 LEU A 42 12.536 -27.134 -51.674 1.00 0.00 H new ATOM 0 HD23 LEU A 42 12.198 -28.879 -51.761 1.00 0.00 H new ATOM 653 N PHE A 43 12.544 -31.494 -50.395 1.00 0.00 N ATOM 654 CA PHE A 43 12.379 -32.251 -51.638 1.00 0.00 C ATOM 655 C PHE A 43 11.138 -31.713 -52.364 1.00 0.00 C ATOM 656 O PHE A 43 10.105 -31.473 -51.739 1.00 0.00 O ATOM 657 CB PHE A 43 12.224 -33.756 -51.303 1.00 0.00 C ATOM 658 CG PHE A 43 11.940 -34.669 -52.502 1.00 0.00 C ATOM 659 CD1 PHE A 43 12.948 -35.005 -53.402 1.00 0.00 C ATOM 660 CD2 PHE A 43 10.661 -35.199 -52.724 1.00 0.00 C ATOM 661 CE1 PHE A 43 12.698 -35.832 -54.484 1.00 0.00 C ATOM 662 CE2 PHE A 43 10.413 -36.027 -53.807 1.00 0.00 C ATOM 663 CZ PHE A 43 11.432 -36.343 -54.686 1.00 0.00 C ATOM 0 H PHE A 43 11.890 -31.776 -49.665 1.00 0.00 H new ATOM 0 HA PHE A 43 13.249 -32.137 -52.285 1.00 0.00 H new ATOM 0 HB2 PHE A 43 13.136 -34.098 -50.815 1.00 0.00 H new ATOM 0 HB3 PHE A 43 11.415 -33.869 -50.582 1.00 0.00 H new ATOM 0 HD1 PHE A 43 13.943 -34.613 -53.253 1.00 0.00 H new ATOM 0 HD2 PHE A 43 9.859 -34.959 -52.042 1.00 0.00 H new ATOM 0 HE1 PHE A 43 13.495 -36.077 -55.171 1.00 0.00 H new ATOM 0 HE2 PHE A 43 9.422 -36.426 -53.965 1.00 0.00 H new ATOM 0 HZ PHE A 43 11.238 -36.989 -55.530 1.00 0.00 H new ATOM 673 N TYR A 44 11.258 -31.488 -53.673 1.00 0.00 N ATOM 674 CA TYR A 44 10.132 -31.084 -54.524 1.00 0.00 C ATOM 675 C TYR A 44 9.595 -32.322 -55.290 1.00 0.00 C ATOM 676 O TYR A 44 10.241 -32.774 -56.239 1.00 0.00 O ATOM 677 CB TYR A 44 10.578 -29.959 -55.518 1.00 0.00 C ATOM 678 CG TYR A 44 10.010 -28.562 -55.233 1.00 0.00 C ATOM 679 CD1 TYR A 44 10.767 -27.589 -54.592 1.00 0.00 C ATOM 680 CD2 TYR A 44 8.703 -28.230 -55.604 1.00 0.00 C ATOM 681 CE1 TYR A 44 10.253 -26.336 -54.328 1.00 0.00 C ATOM 682 CE2 TYR A 44 8.187 -26.979 -55.348 1.00 0.00 C ATOM 683 CZ TYR A 44 8.964 -26.035 -54.709 1.00 0.00 C ATOM 684 OH TYR A 44 8.446 -24.788 -54.448 1.00 0.00 O ATOM 0 H TYR A 44 12.140 -31.580 -54.177 1.00 0.00 H new ATOM 0 HA TYR A 44 9.332 -30.682 -53.902 1.00 0.00 H new ATOM 0 HB2 TYR A 44 11.666 -29.899 -55.507 1.00 0.00 H new ATOM 0 HB3 TYR A 44 10.285 -30.252 -56.526 1.00 0.00 H new ATOM 0 HD1 TYR A 44 11.779 -27.818 -54.294 1.00 0.00 H new ATOM 0 HD2 TYR A 44 8.088 -28.967 -56.099 1.00 0.00 H new ATOM 0 HE1 TYR A 44 10.858 -25.596 -53.826 1.00 0.00 H new ATOM 0 HE2 TYR A 44 7.177 -26.738 -55.646 1.00 0.00 H new ATOM 0 HH TYR A 44 7.526 -24.739 -54.782 1.00 0.00 H new ATOM 694 N PRO A 45 8.422 -32.905 -54.887 1.00 0.00 N ATOM 695 CA PRO A 45 7.699 -33.886 -55.723 1.00 0.00 C ATOM 696 C PRO A 45 6.891 -33.166 -56.820 1.00 0.00 C ATOM 697 O PRO A 45 6.589 -31.969 -56.694 1.00 0.00 O ATOM 698 CB PRO A 45 6.784 -34.606 -54.702 1.00 0.00 C ATOM 699 CG PRO A 45 6.473 -33.549 -53.684 1.00 0.00 C ATOM 700 CD PRO A 45 7.716 -32.671 -53.601 1.00 0.00 C ATOM 0 HA PRO A 45 8.350 -34.579 -56.257 1.00 0.00 H new ATOM 0 HB2 PRO A 45 5.877 -34.983 -55.175 1.00 0.00 H new ATOM 0 HB3 PRO A 45 7.287 -35.461 -54.249 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.602 -32.965 -53.981 1.00 0.00 H new ATOM 0 HG3 PRO A 45 6.244 -33.994 -52.716 1.00 0.00 H new ATOM 0 HD2 PRO A 45 7.453 -31.620 -53.478 1.00 0.00 H new ATOM 0 HD3 PRO A 45 8.340 -32.945 -52.750 1.00 0.00 H new ATOM 852 N GLU A 55 13.392 -30.760 -58.534 1.00 0.00 N ATOM 853 CA GLU A 55 14.606 -31.308 -57.877 1.00 0.00 C ATOM 854 C GLU A 55 14.646 -30.999 -56.359 1.00 0.00 C ATOM 855 O GLU A 55 13.732 -30.382 -55.804 1.00 0.00 O ATOM 856 CB GLU A 55 15.892 -30.749 -58.583 1.00 0.00 C ATOM 857 CG GLU A 55 16.099 -29.209 -58.503 1.00 0.00 C ATOM 858 CD GLU A 55 15.132 -28.397 -59.382 1.00 0.00 C ATOM 859 OE1 GLU A 55 15.284 -28.417 -60.621 1.00 0.00 O ATOM 860 OE2 GLU A 55 14.199 -27.762 -58.841 1.00 0.00 O ATOM 0 HA GLU A 55 14.574 -32.393 -57.980 1.00 0.00 H new ATOM 0 HB2 GLU A 55 16.763 -31.236 -58.145 1.00 0.00 H new ATOM 0 HB3 GLU A 55 15.860 -31.037 -59.634 1.00 0.00 H new ATOM 0 HG2 GLU A 55 15.984 -28.891 -57.467 1.00 0.00 H new ATOM 0 HG3 GLU A 55 17.122 -28.975 -58.796 1.00 0.00 H new ATOM 867 N VAL A 56 15.747 -31.437 -55.712 1.00 0.00 N ATOM 868 CA VAL A 56 16.010 -31.238 -54.271 1.00 0.00 C ATOM 869 C VAL A 56 16.643 -29.850 -54.027 1.00 0.00 C ATOM 870 O VAL A 56 17.585 -29.460 -54.718 1.00 0.00 O ATOM 871 CB VAL A 56 16.990 -32.348 -53.718 1.00 0.00 C ATOM 872 CG1 VAL A 56 17.296 -32.145 -52.213 1.00 0.00 C ATOM 873 CG2 VAL A 56 16.446 -33.778 -53.985 1.00 0.00 C ATOM 0 H VAL A 56 16.492 -31.948 -56.186 1.00 0.00 H new ATOM 0 HA VAL A 56 15.056 -31.307 -53.748 1.00 0.00 H new ATOM 0 HB VAL A 56 17.928 -32.242 -54.264 1.00 0.00 H new ATOM 0 HG11 VAL A 56 17.973 -32.928 -51.870 1.00 0.00 H new ATOM 0 HG12 VAL A 56 17.763 -31.171 -52.065 1.00 0.00 H new ATOM 0 HG13 VAL A 56 16.368 -32.193 -51.643 1.00 0.00 H new ATOM 0 HG21 VAL A 56 17.147 -34.514 -53.591 1.00 0.00 H new ATOM 0 HG22 VAL A 56 15.480 -33.897 -53.494 1.00 0.00 H new ATOM 0 HG23 VAL A 56 16.328 -33.928 -55.058 1.00 0.00 H new ATOM 883 N VAL A 57 16.118 -29.114 -53.032 1.00 0.00 N ATOM 884 CA VAL A 57 16.682 -27.831 -52.574 1.00 0.00 C ATOM 885 C VAL A 57 17.015 -27.919 -51.071 1.00 0.00 C ATOM 886 O VAL A 57 16.139 -28.197 -50.251 1.00 0.00 O ATOM 887 CB VAL A 57 15.687 -26.630 -52.830 1.00 0.00 C ATOM 888 CG1 VAL A 57 16.248 -25.288 -52.263 1.00 0.00 C ATOM 889 CG2 VAL A 57 15.338 -26.507 -54.342 1.00 0.00 C ATOM 0 H VAL A 57 15.283 -29.395 -52.518 1.00 0.00 H new ATOM 0 HA VAL A 57 17.590 -27.640 -53.147 1.00 0.00 H new ATOM 0 HB VAL A 57 14.764 -26.846 -52.292 1.00 0.00 H new ATOM 0 HG11 VAL A 57 15.537 -24.485 -52.458 1.00 0.00 H new ATOM 0 HG12 VAL A 57 16.402 -25.383 -51.188 1.00 0.00 H new ATOM 0 HG13 VAL A 57 17.197 -25.057 -52.747 1.00 0.00 H new ATOM 0 HG21 VAL A 57 14.652 -25.673 -54.490 1.00 0.00 H new ATOM 0 HG22 VAL A 57 16.250 -26.333 -54.913 1.00 0.00 H new ATOM 0 HG23 VAL A 57 14.867 -27.429 -54.683 1.00 0.00 H new ATOM 899 N PHE A 58 18.291 -27.706 -50.723 1.00 0.00 N ATOM 900 CA PHE A 58 18.732 -27.551 -49.325 1.00 0.00 C ATOM 901 C PHE A 58 18.693 -26.072 -48.942 1.00 0.00 C ATOM 902 O PHE A 58 19.312 -25.242 -49.599 1.00 0.00 O ATOM 903 CB PHE A 58 20.164 -28.124 -49.106 1.00 0.00 C ATOM 904 CG PHE A 58 20.179 -29.603 -48.740 1.00 0.00 C ATOM 905 CD1 PHE A 58 20.119 -30.585 -49.719 1.00 0.00 C ATOM 906 CD2 PHE A 58 20.256 -30.007 -47.401 1.00 0.00 C ATOM 907 CE1 PHE A 58 20.133 -31.922 -49.380 1.00 0.00 C ATOM 908 CE2 PHE A 58 20.267 -31.347 -47.064 1.00 0.00 C ATOM 909 CZ PHE A 58 20.213 -32.301 -48.054 1.00 0.00 C ATOM 0 H PHE A 58 19.049 -27.636 -51.401 1.00 0.00 H new ATOM 0 HA PHE A 58 18.052 -28.117 -48.688 1.00 0.00 H new ATOM 0 HB2 PHE A 58 20.748 -27.977 -50.014 1.00 0.00 H new ATOM 0 HB3 PHE A 58 20.656 -27.557 -48.315 1.00 0.00 H new ATOM 0 HD1 PHE A 58 20.061 -30.299 -50.759 1.00 0.00 H new ATOM 0 HD2 PHE A 58 20.307 -29.261 -46.622 1.00 0.00 H new ATOM 0 HE1 PHE A 58 20.081 -32.674 -50.153 1.00 0.00 H new ATOM 0 HE2 PHE A 58 20.318 -31.645 -46.027 1.00 0.00 H new ATOM 0 HZ PHE A 58 20.233 -33.349 -47.794 1.00 0.00 H new ATOM 919 N VAL A 59 17.961 -25.751 -47.876 1.00 0.00 N ATOM 920 CA VAL A 59 17.943 -24.414 -47.286 1.00 0.00 C ATOM 921 C VAL A 59 19.171 -24.241 -46.384 1.00 0.00 C ATOM 922 O VAL A 59 19.403 -25.035 -45.464 1.00 0.00 O ATOM 923 CB VAL A 59 16.605 -24.168 -46.490 1.00 0.00 C ATOM 924 CG1 VAL A 59 16.734 -23.037 -45.431 1.00 0.00 C ATOM 925 CG2 VAL A 59 15.457 -23.864 -47.471 1.00 0.00 C ATOM 0 H VAL A 59 17.359 -26.418 -47.394 1.00 0.00 H new ATOM 0 HA VAL A 59 17.984 -23.669 -48.081 1.00 0.00 H new ATOM 0 HB VAL A 59 16.383 -25.083 -45.941 1.00 0.00 H new ATOM 0 HG11 VAL A 59 15.782 -22.912 -44.914 1.00 0.00 H new ATOM 0 HG12 VAL A 59 17.507 -23.301 -44.709 1.00 0.00 H new ATOM 0 HG13 VAL A 59 17.003 -22.104 -45.926 1.00 0.00 H new ATOM 0 HG21 VAL A 59 14.536 -23.695 -46.913 1.00 0.00 H new ATOM 0 HG22 VAL A 59 15.699 -22.972 -48.049 1.00 0.00 H new ATOM 0 HG23 VAL A 59 15.322 -24.709 -48.146 1.00 0.00 H new ATOM 935 N ALA A 60 19.947 -23.189 -46.681 1.00 0.00 N ATOM 936 CA ALA A 60 21.173 -22.842 -45.951 1.00 0.00 C ATOM 937 C ALA A 60 20.826 -22.069 -44.669 1.00 0.00 C ATOM 938 O ALA A 60 19.787 -21.399 -44.634 1.00 0.00 O ATOM 939 CB ALA A 60 22.114 -22.022 -46.849 1.00 0.00 C ATOM 0 H ALA A 60 19.737 -22.547 -47.445 1.00 0.00 H new ATOM 0 HA ALA A 60 21.688 -23.760 -45.668 1.00 0.00 H new ATOM 0 HB1 ALA A 60 23.019 -21.772 -46.295 1.00 0.00 H new ATOM 0 HB2 ALA A 60 22.378 -22.607 -47.730 1.00 0.00 H new ATOM 0 HB3 ALA A 60 21.613 -21.105 -47.159 1.00 0.00 H new ATOM 945 N PRO A 61 21.702 -22.133 -43.608 1.00 0.00 N ATOM 946 CA PRO A 61 21.492 -21.391 -42.328 1.00 0.00 C ATOM 947 C PRO A 61 21.407 -19.853 -42.531 1.00 0.00 C ATOM 948 O PRO A 61 20.666 -19.162 -41.821 1.00 0.00 O ATOM 949 CB PRO A 61 22.744 -21.784 -41.475 1.00 0.00 C ATOM 950 CG PRO A 61 23.752 -22.285 -42.472 1.00 0.00 C ATOM 951 CD PRO A 61 22.942 -22.960 -43.548 1.00 0.00 C ATOM 0 HA PRO A 61 20.545 -21.650 -41.855 1.00 0.00 H new ATOM 0 HB2 PRO A 61 23.129 -20.928 -40.921 1.00 0.00 H new ATOM 0 HB3 PRO A 61 22.497 -22.553 -40.743 1.00 0.00 H new ATOM 0 HG2 PRO A 61 24.343 -21.465 -42.880 1.00 0.00 H new ATOM 0 HG3 PRO A 61 24.451 -22.982 -42.009 1.00 0.00 H new ATOM 0 HD2 PRO A 61 23.468 -22.968 -44.503 1.00 0.00 H new ATOM 0 HD3 PRO A 61 22.723 -23.998 -43.296 1.00 0.00 H new ATOM 959 N THR A 62 22.162 -19.338 -43.526 1.00 0.00 N ATOM 960 CA THR A 62 22.219 -17.893 -43.847 1.00 0.00 C ATOM 961 C THR A 62 21.158 -17.503 -44.909 1.00 0.00 C ATOM 962 O THR A 62 20.982 -16.317 -45.208 1.00 0.00 O ATOM 963 CB THR A 62 23.656 -17.501 -44.334 1.00 0.00 C ATOM 964 OG1 THR A 62 23.783 -16.071 -44.452 1.00 0.00 O ATOM 965 CG2 THR A 62 24.011 -18.166 -45.678 1.00 0.00 C ATOM 0 H THR A 62 22.750 -19.912 -44.130 1.00 0.00 H new ATOM 0 HA THR A 62 21.992 -17.339 -42.936 1.00 0.00 H new ATOM 0 HB THR A 62 24.356 -17.865 -43.582 1.00 0.00 H new ATOM 0 HG1 THR A 62 22.922 -15.687 -44.719 1.00 0.00 H new ATOM 0 HG21 THR A 62 25.015 -17.867 -45.978 1.00 0.00 H new ATOM 0 HG22 THR A 62 23.973 -19.250 -45.569 1.00 0.00 H new ATOM 0 HG23 THR A 62 23.297 -17.852 -46.439 1.00 0.00 H new ATOM 973 N GLY A 63 20.465 -18.509 -45.485 1.00 0.00 N ATOM 974 CA GLY A 63 19.426 -18.266 -46.492 1.00 0.00 C ATOM 975 C GLY A 63 19.931 -18.332 -47.933 1.00 0.00 C ATOM 976 O GLY A 63 19.139 -18.166 -48.862 1.00 0.00 O ATOM 0 H GLY A 63 20.611 -19.494 -45.266 1.00 0.00 H new ATOM 0 HA2 GLY A 63 18.630 -18.999 -46.363 1.00 0.00 H new ATOM 0 HA3 GLY A 63 18.986 -17.284 -46.316 1.00 0.00 H new ATOM 980 N GLU A 64 21.250 -18.567 -48.124 1.00 0.00 N ATOM 981 CA GLU A 64 21.843 -18.786 -49.463 1.00 0.00 C ATOM 982 C GLU A 64 21.604 -20.251 -49.884 1.00 0.00 C ATOM 983 O GLU A 64 22.497 -21.105 -49.798 1.00 0.00 O ATOM 984 CB GLU A 64 23.357 -18.411 -49.463 1.00 0.00 C ATOM 985 CG GLU A 64 24.062 -18.561 -50.829 1.00 0.00 C ATOM 986 CD GLU A 64 25.494 -18.003 -50.835 1.00 0.00 C ATOM 987 OE1 GLU A 64 25.661 -16.803 -51.120 1.00 0.00 O ATOM 988 OE2 GLU A 64 26.449 -18.747 -50.524 1.00 0.00 O ATOM 0 H GLU A 64 21.927 -18.610 -47.362 1.00 0.00 H new ATOM 0 HA GLU A 64 21.362 -18.136 -50.194 1.00 0.00 H new ATOM 0 HB2 GLU A 64 23.461 -17.379 -49.128 1.00 0.00 H new ATOM 0 HB3 GLU A 64 23.872 -19.037 -48.734 1.00 0.00 H new ATOM 0 HG2 GLU A 64 24.089 -19.616 -51.103 1.00 0.00 H new ATOM 0 HG3 GLU A 64 23.476 -18.048 -51.592 1.00 0.00 H new ATOM 995 N GLU A 65 20.347 -20.531 -50.269 1.00 0.00 N ATOM 996 CA GLU A 65 19.856 -21.898 -50.512 1.00 0.00 C ATOM 997 C GLU A 65 20.554 -22.553 -51.722 1.00 0.00 C ATOM 998 O GLU A 65 20.902 -21.887 -52.704 1.00 0.00 O ATOM 999 CB GLU A 65 18.316 -21.881 -50.713 1.00 0.00 C ATOM 1000 CG GLU A 65 17.836 -21.074 -51.944 1.00 0.00 C ATOM 1001 CD GLU A 65 16.307 -20.988 -52.056 1.00 0.00 C ATOM 1002 OE1 GLU A 65 15.723 -20.020 -51.541 1.00 0.00 O ATOM 1003 OE2 GLU A 65 15.682 -21.890 -52.648 1.00 0.00 O ATOM 0 H GLU A 65 19.640 -19.812 -50.421 1.00 0.00 H new ATOM 0 HA GLU A 65 20.097 -22.500 -49.636 1.00 0.00 H new ATOM 0 HB2 GLU A 65 17.964 -22.908 -50.808 1.00 0.00 H new ATOM 0 HB3 GLU A 65 17.851 -21.466 -49.819 1.00 0.00 H new ATOM 0 HG2 GLU A 65 18.247 -20.066 -51.891 1.00 0.00 H new ATOM 0 HG3 GLU A 65 18.234 -21.533 -52.849 1.00 0.00 H new ATOM 1010 N ILE A 66 20.761 -23.860 -51.619 1.00 0.00 N ATOM 1011 CA ILE A 66 21.419 -24.674 -52.638 1.00 0.00 C ATOM 1012 C ILE A 66 20.363 -25.439 -53.457 1.00 0.00 C ATOM 1013 O ILE A 66 19.530 -26.144 -52.889 1.00 0.00 O ATOM 1014 CB ILE A 66 22.411 -25.676 -51.963 1.00 0.00 C ATOM 1015 CG1 ILE A 66 23.438 -24.923 -51.039 1.00 0.00 C ATOM 1016 CG2 ILE A 66 23.119 -26.546 -53.015 1.00 0.00 C ATOM 1017 CD1 ILE A 66 24.273 -23.842 -51.713 1.00 0.00 C ATOM 0 H ILE A 66 20.469 -24.399 -50.804 1.00 0.00 H new ATOM 0 HA ILE A 66 21.981 -24.023 -53.308 1.00 0.00 H new ATOM 0 HB ILE A 66 21.833 -26.345 -51.325 1.00 0.00 H new ATOM 0 HG12 ILE A 66 22.889 -24.469 -50.214 1.00 0.00 H new ATOM 0 HG13 ILE A 66 24.114 -25.659 -50.605 1.00 0.00 H new ATOM 0 HG21 ILE A 66 23.803 -27.234 -52.518 1.00 0.00 H new ATOM 0 HG22 ILE A 66 22.377 -27.114 -53.576 1.00 0.00 H new ATOM 0 HG23 ILE A 66 23.679 -25.907 -53.698 1.00 0.00 H new ATOM 0 HD11 ILE A 66 24.944 -23.392 -50.982 1.00 0.00 H new ATOM 0 HD12 ILE A 66 24.859 -24.284 -52.519 1.00 0.00 H new ATOM 0 HD13 ILE A 66 23.615 -23.075 -52.121 1.00 0.00 H new ATOM 1029 N SER A 67 20.437 -25.303 -54.788 1.00 0.00 N ATOM 1030 CA SER A 67 19.484 -25.924 -55.728 1.00 0.00 C ATOM 1031 C SER A 67 20.034 -27.232 -56.322 1.00 0.00 C ATOM 1032 O SER A 67 19.291 -28.013 -56.926 1.00 0.00 O ATOM 1033 CB SER A 67 19.193 -24.920 -56.867 1.00 0.00 C ATOM 1034 OG SER A 67 20.391 -24.407 -57.434 1.00 0.00 O ATOM 0 H SER A 67 21.164 -24.756 -55.249 1.00 0.00 H new ATOM 0 HA SER A 67 18.572 -26.170 -55.184 1.00 0.00 H new ATOM 0 HB2 SER A 67 18.604 -25.410 -57.642 1.00 0.00 H new ATOM 0 HB3 SER A 67 18.591 -24.097 -56.482 1.00 0.00 H new ATOM 0 HG SER A 67 21.114 -25.058 -57.315 1.00 0.00 H new ATOM 1040 N ASN A 68 21.353 -27.451 -56.158 1.00 0.00 N ATOM 1041 CA ASN A 68 22.094 -28.497 -56.881 1.00 0.00 C ATOM 1042 C ASN A 68 23.348 -28.915 -56.091 1.00 0.00 C ATOM 1043 O ASN A 68 24.021 -28.075 -55.488 1.00 0.00 O ATOM 1044 CB ASN A 68 22.459 -27.991 -58.309 1.00 0.00 C ATOM 1045 CG ASN A 68 23.205 -26.645 -58.323 1.00 0.00 C ATOM 1046 OD1 ASN A 68 22.988 -25.785 -57.471 1.00 0.00 O ATOM 1047 ND2 ASN A 68 24.074 -26.442 -59.295 1.00 0.00 N ATOM 0 H ASN A 68 21.933 -26.906 -55.520 1.00 0.00 H new ATOM 0 HA ASN A 68 21.464 -29.380 -56.983 1.00 0.00 H new ATOM 0 HB2 ASN A 68 23.076 -28.742 -58.803 1.00 0.00 H new ATOM 0 HB3 ASN A 68 21.544 -27.894 -58.894 1.00 0.00 H new ATOM 0 HD21 ASN A 68 24.581 -25.558 -59.350 1.00 0.00 H new ATOM 0 HD22 ASN A 68 24.239 -27.169 -59.992 1.00 0.00 H new ATOM 1054 N ARG A 69 23.687 -30.215 -56.174 1.00 0.00 N ATOM 1055 CA ARG A 69 24.652 -30.890 -55.272 1.00 0.00 C ATOM 1056 C ARG A 69 26.096 -30.333 -55.367 1.00 0.00 C ATOM 1057 O ARG A 69 26.851 -30.397 -54.385 1.00 0.00 O ATOM 1058 CB ARG A 69 24.613 -32.420 -55.530 1.00 0.00 C ATOM 1059 CG ARG A 69 25.438 -33.246 -54.522 1.00 0.00 C ATOM 1060 CD ARG A 69 25.223 -34.759 -54.631 1.00 0.00 C ATOM 1061 NE ARG A 69 26.091 -35.479 -53.686 1.00 0.00 N ATOM 1062 CZ ARG A 69 25.984 -36.771 -53.352 1.00 0.00 C ATOM 1063 NH1 ARG A 69 25.005 -37.531 -53.816 1.00 0.00 N ATOM 1064 NH2 ARG A 69 26.893 -37.296 -52.556 1.00 0.00 N ATOM 0 H ARG A 69 23.295 -30.839 -56.879 1.00 0.00 H new ATOM 0 HA ARG A 69 24.339 -30.680 -54.249 1.00 0.00 H new ATOM 0 HB2 ARG A 69 23.577 -32.757 -55.499 1.00 0.00 H new ATOM 0 HB3 ARG A 69 24.983 -32.618 -56.536 1.00 0.00 H new ATOM 0 HG2 ARG A 69 26.496 -33.028 -54.669 1.00 0.00 H new ATOM 0 HG3 ARG A 69 25.184 -32.925 -53.512 1.00 0.00 H new ATOM 0 HD2 ARG A 69 24.179 -34.998 -54.428 1.00 0.00 H new ATOM 0 HD3 ARG A 69 25.433 -35.088 -55.649 1.00 0.00 H new ATOM 0 HE ARG A 69 26.841 -34.946 -53.246 1.00 0.00 H new ATOM 0 HH11 ARG A 69 24.307 -37.135 -54.445 1.00 0.00 H new ATOM 0 HH12 ARG A 69 24.949 -38.513 -53.544 1.00 0.00 H new ATOM 0 HH21 ARG A 69 27.659 -36.720 -52.207 1.00 0.00 H new ATOM 0 HH22 ARG A 69 26.831 -38.278 -52.289 1.00 0.00 H new ATOM 1078 N LYS A 70 26.461 -29.767 -56.532 1.00 0.00 N ATOM 1079 CA LYS A 70 27.792 -29.132 -56.738 1.00 0.00 C ATOM 1080 C LYS A 70 27.909 -27.884 -55.842 1.00 0.00 C ATOM 1081 O LYS A 70 28.900 -27.725 -55.115 1.00 0.00 O ATOM 1082 CB LYS A 70 28.007 -28.770 -58.246 1.00 0.00 C ATOM 1083 CG LYS A 70 29.464 -28.398 -58.675 1.00 0.00 C ATOM 1084 CD LYS A 70 29.877 -26.941 -58.329 1.00 0.00 C ATOM 1085 CE LYS A 70 31.336 -26.636 -58.679 1.00 0.00 C ATOM 1086 NZ LYS A 70 31.605 -26.802 -60.126 1.00 0.00 N ATOM 0 H LYS A 70 25.856 -29.732 -57.352 1.00 0.00 H new ATOM 0 HA LYS A 70 28.574 -29.838 -56.459 1.00 0.00 H new ATOM 0 HB2 LYS A 70 27.680 -29.616 -58.850 1.00 0.00 H new ATOM 0 HB3 LYS A 70 27.355 -27.932 -58.492 1.00 0.00 H new ATOM 0 HG2 LYS A 70 30.159 -29.085 -58.193 1.00 0.00 H new ATOM 0 HG3 LYS A 70 29.563 -28.546 -59.750 1.00 0.00 H new ATOM 0 HD2 LYS A 70 29.228 -26.248 -58.864 1.00 0.00 H new ATOM 0 HD3 LYS A 70 29.720 -26.767 -57.264 1.00 0.00 H new ATOM 0 HE2 LYS A 70 31.575 -25.615 -58.380 1.00 0.00 H new ATOM 0 HE3 LYS A 70 31.991 -27.296 -58.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 32.574 -26.489 -60.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 31.500 -27.804 -60.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 30.930 -26.230 -60.672 1.00 0.00 H new ATOM 1100 N GLN A 71 26.861 -27.025 -55.882 1.00 0.00 N ATOM 1101 CA GLN A 71 26.828 -25.758 -55.123 1.00 0.00 C ATOM 1102 C GLN A 71 26.852 -25.994 -53.609 1.00 0.00 C ATOM 1103 O GLN A 71 27.279 -25.118 -52.867 1.00 0.00 O ATOM 1104 CB GLN A 71 25.614 -24.877 -55.519 1.00 0.00 C ATOM 1105 CG GLN A 71 25.712 -24.238 -56.920 1.00 0.00 C ATOM 1106 CD GLN A 71 26.978 -23.401 -57.123 1.00 0.00 C ATOM 1107 OE1 GLN A 71 27.992 -23.900 -57.605 1.00 0.00 O ATOM 1108 NE2 GLN A 71 26.944 -22.134 -56.736 1.00 0.00 N ATOM 0 H GLN A 71 26.022 -27.192 -56.438 1.00 0.00 H new ATOM 0 HA GLN A 71 27.736 -25.217 -55.390 1.00 0.00 H new ATOM 0 HB2 GLN A 71 24.711 -25.485 -55.474 1.00 0.00 H new ATOM 0 HB3 GLN A 71 25.501 -24.084 -54.780 1.00 0.00 H new ATOM 0 HG2 GLN A 71 25.682 -25.026 -57.673 1.00 0.00 H new ATOM 0 HG3 GLN A 71 24.839 -23.607 -57.085 1.00 0.00 H new ATOM 0 HE21 GLN A 71 26.089 -21.745 -56.339 1.00 0.00 H new ATOM 0 HE22 GLN A 71 27.773 -21.548 -56.835 1.00 0.00 H new ATOM 1117 N LEU A 72 26.408 -27.187 -53.172 1.00 0.00 N ATOM 1118 CA LEU A 72 26.456 -27.591 -51.754 1.00 0.00 C ATOM 1119 C LEU A 72 27.929 -27.687 -51.303 1.00 0.00 C ATOM 1120 O LEU A 72 28.335 -27.045 -50.334 1.00 0.00 O ATOM 1121 CB LEU A 72 25.717 -28.960 -51.567 1.00 0.00 C ATOM 1122 CG LEU A 72 25.133 -29.307 -50.147 1.00 0.00 C ATOM 1123 CD1 LEU A 72 26.180 -29.266 -49.027 1.00 0.00 C ATOM 1124 CD2 LEU A 72 23.924 -28.421 -49.808 1.00 0.00 C ATOM 0 H LEU A 72 26.008 -27.895 -53.788 1.00 0.00 H new ATOM 0 HA LEU A 72 25.951 -26.848 -51.137 1.00 0.00 H new ATOM 0 HB2 LEU A 72 24.895 -28.994 -52.282 1.00 0.00 H new ATOM 0 HB3 LEU A 72 26.412 -29.753 -51.843 1.00 0.00 H new ATOM 0 HG LEU A 72 24.798 -30.342 -50.208 1.00 0.00 H new ATOM 0 HD11 LEU A 72 25.707 -29.515 -48.077 1.00 0.00 H new ATOM 0 HD12 LEU A 72 26.969 -29.987 -49.240 1.00 0.00 H new ATOM 0 HD13 LEU A 72 26.610 -28.266 -48.967 1.00 0.00 H new ATOM 0 HD21 LEU A 72 23.544 -28.686 -48.821 1.00 0.00 H new ATOM 0 HD22 LEU A 72 24.228 -27.374 -49.811 1.00 0.00 H new ATOM 0 HD23 LEU A 72 23.141 -28.574 -50.551 1.00 0.00 H new ATOM 1136 N GLU A 73 28.715 -28.474 -52.054 1.00 0.00 N ATOM 1137 CA GLU A 73 30.121 -28.799 -51.717 1.00 0.00 C ATOM 1138 C GLU A 73 31.001 -27.535 -51.719 1.00 0.00 C ATOM 1139 O GLU A 73 31.755 -27.285 -50.760 1.00 0.00 O ATOM 1140 CB GLU A 73 30.657 -29.849 -52.727 1.00 0.00 C ATOM 1141 CG GLU A 73 29.817 -31.132 -52.785 1.00 0.00 C ATOM 1142 CD GLU A 73 30.331 -32.141 -53.815 1.00 0.00 C ATOM 1143 OE1 GLU A 73 30.124 -31.915 -55.024 1.00 0.00 O ATOM 1144 OE2 GLU A 73 30.966 -33.146 -53.429 1.00 0.00 O ATOM 0 H GLU A 73 28.396 -28.909 -52.920 1.00 0.00 H new ATOM 0 HA GLU A 73 30.158 -29.215 -50.710 1.00 0.00 H new ATOM 0 HB2 GLU A 73 30.690 -29.401 -53.720 1.00 0.00 H new ATOM 0 HB3 GLU A 73 31.682 -30.108 -52.460 1.00 0.00 H new ATOM 0 HG2 GLU A 73 29.810 -31.599 -51.800 1.00 0.00 H new ATOM 0 HG3 GLU A 73 28.785 -30.873 -53.023 1.00 0.00 H new ATOM 1151 N GLN A 74 30.848 -26.715 -52.776 1.00 0.00 N ATOM 1152 CA GLN A 74 31.628 -25.477 -52.948 1.00 0.00 C ATOM 1153 C GLN A 74 31.206 -24.405 -51.910 1.00 0.00 C ATOM 1154 O GLN A 74 32.005 -23.534 -51.552 1.00 0.00 O ATOM 1155 CB GLN A 74 31.542 -24.961 -54.424 1.00 0.00 C ATOM 1156 CG GLN A 74 30.151 -24.500 -54.932 1.00 0.00 C ATOM 1157 CD GLN A 74 29.795 -23.029 -54.650 1.00 0.00 C ATOM 1158 OE1 GLN A 74 29.201 -22.699 -53.624 1.00 0.00 O ATOM 1159 NE2 GLN A 74 30.172 -22.145 -55.558 1.00 0.00 N ATOM 0 H GLN A 74 30.184 -26.891 -53.530 1.00 0.00 H new ATOM 0 HA GLN A 74 32.678 -25.698 -52.756 1.00 0.00 H new ATOM 0 HB2 GLN A 74 32.235 -24.126 -54.531 1.00 0.00 H new ATOM 0 HB3 GLN A 74 31.896 -25.755 -55.081 1.00 0.00 H new ATOM 0 HG2 GLN A 74 30.103 -24.667 -56.008 1.00 0.00 H new ATOM 0 HG3 GLN A 74 29.389 -25.133 -54.477 1.00 0.00 H new ATOM 0 HE21 GLN A 74 30.663 -22.454 -56.397 1.00 0.00 H new ATOM 0 HE22 GLN A 74 29.972 -21.154 -55.419 1.00 0.00 H new ATOM 1168 N TYR A 75 29.944 -24.498 -51.417 1.00 0.00 N ATOM 1169 CA TYR A 75 29.434 -23.645 -50.323 1.00 0.00 C ATOM 1170 C TYR A 75 30.202 -23.956 -49.028 1.00 0.00 C ATOM 1171 O TYR A 75 30.734 -23.048 -48.398 1.00 0.00 O ATOM 1172 CB TYR A 75 27.900 -23.866 -50.132 1.00 0.00 C ATOM 1173 CG TYR A 75 27.230 -23.064 -49.001 1.00 0.00 C ATOM 1174 CD1 TYR A 75 26.506 -21.895 -49.255 1.00 0.00 C ATOM 1175 CD2 TYR A 75 27.318 -23.482 -47.672 1.00 0.00 C ATOM 1176 CE1 TYR A 75 25.893 -21.196 -48.229 1.00 0.00 C ATOM 1177 CE2 TYR A 75 26.716 -22.782 -46.657 1.00 0.00 C ATOM 1178 CZ TYR A 75 26.009 -21.643 -46.933 1.00 0.00 C ATOM 1179 OH TYR A 75 25.403 -20.959 -45.904 1.00 0.00 O ATOM 0 H TYR A 75 29.257 -25.165 -51.768 1.00 0.00 H new ATOM 0 HA TYR A 75 29.591 -22.597 -50.578 1.00 0.00 H new ATOM 0 HB2 TYR A 75 27.400 -23.620 -51.069 1.00 0.00 H new ATOM 0 HB3 TYR A 75 27.728 -24.926 -49.948 1.00 0.00 H new ATOM 0 HD1 TYR A 75 26.424 -21.531 -50.269 1.00 0.00 H new ATOM 0 HD2 TYR A 75 27.873 -24.378 -47.437 1.00 0.00 H new ATOM 0 HE1 TYR A 75 25.326 -20.303 -48.445 1.00 0.00 H new ATOM 0 HE2 TYR A 75 26.800 -23.130 -45.638 1.00 0.00 H new ATOM 0 HH TYR A 75 25.587 -21.414 -45.056 1.00 0.00 H new ATOM 1189 N LEU A 76 30.274 -25.258 -48.675 1.00 0.00 N ATOM 1190 CA LEU A 76 30.835 -25.732 -47.381 1.00 0.00 C ATOM 1191 C LEU A 76 32.312 -25.337 -47.212 1.00 0.00 C ATOM 1192 O LEU A 76 32.716 -24.866 -46.146 1.00 0.00 O ATOM 1193 CB LEU A 76 30.698 -27.271 -47.260 1.00 0.00 C ATOM 1194 CG LEU A 76 29.256 -27.852 -47.347 1.00 0.00 C ATOM 1195 CD1 LEU A 76 29.288 -29.385 -47.228 1.00 0.00 C ATOM 1196 CD2 LEU A 76 28.308 -27.210 -46.302 1.00 0.00 C ATOM 0 H LEU A 76 29.946 -26.014 -49.276 1.00 0.00 H new ATOM 0 HA LEU A 76 30.261 -25.248 -46.591 1.00 0.00 H new ATOM 0 HB2 LEU A 76 31.298 -27.729 -48.046 1.00 0.00 H new ATOM 0 HB3 LEU A 76 31.132 -27.578 -46.308 1.00 0.00 H new ATOM 0 HG LEU A 76 28.849 -27.598 -48.326 1.00 0.00 H new ATOM 0 HD11 LEU A 76 28.272 -29.776 -47.291 1.00 0.00 H new ATOM 0 HD12 LEU A 76 29.887 -29.800 -48.038 1.00 0.00 H new ATOM 0 HD13 LEU A 76 29.727 -29.667 -46.271 1.00 0.00 H new ATOM 0 HD21 LEU A 76 27.313 -27.644 -46.398 1.00 0.00 H new ATOM 0 HD22 LEU A 76 28.691 -27.399 -45.299 1.00 0.00 H new ATOM 0 HD23 LEU A 76 28.253 -26.135 -46.473 1.00 0.00 H new ATOM 1208 N LYS A 77 33.108 -25.540 -48.278 1.00 0.00 N ATOM 1209 CA LYS A 77 34.545 -25.180 -48.268 1.00 0.00 C ATOM 1210 C LYS A 77 34.737 -23.649 -48.195 1.00 0.00 C ATOM 1211 O LYS A 77 35.710 -23.162 -47.613 1.00 0.00 O ATOM 1212 CB LYS A 77 35.272 -25.737 -49.516 1.00 0.00 C ATOM 1213 CG LYS A 77 34.722 -25.204 -50.858 1.00 0.00 C ATOM 1214 CD LYS A 77 35.642 -25.494 -52.057 1.00 0.00 C ATOM 1215 CE LYS A 77 35.862 -26.995 -52.307 1.00 0.00 C ATOM 1216 NZ LYS A 77 36.760 -27.234 -53.460 1.00 0.00 N ATOM 0 H LYS A 77 32.786 -25.949 -49.155 1.00 0.00 H new ATOM 0 HA LYS A 77 34.982 -25.632 -47.378 1.00 0.00 H new ATOM 0 HB2 LYS A 77 36.331 -25.490 -49.446 1.00 0.00 H new ATOM 0 HB3 LYS A 77 35.197 -26.824 -49.511 1.00 0.00 H new ATOM 0 HG2 LYS A 77 33.745 -25.650 -51.044 1.00 0.00 H new ATOM 0 HG3 LYS A 77 34.571 -24.127 -50.778 1.00 0.00 H new ATOM 0 HD2 LYS A 77 35.214 -25.043 -52.952 1.00 0.00 H new ATOM 0 HD3 LYS A 77 36.607 -25.016 -51.890 1.00 0.00 H new ATOM 0 HE2 LYS A 77 36.287 -27.454 -51.414 1.00 0.00 H new ATOM 0 HE3 LYS A 77 34.902 -27.478 -52.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 36.884 -28.257 -53.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 36.343 -26.818 -54.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 37.685 -26.795 -53.277 1.00 0.00 H new ATOM 1230 N SER A 78 33.795 -22.896 -48.806 1.00 0.00 N ATOM 1231 CA SER A 78 33.830 -21.414 -48.847 1.00 0.00 C ATOM 1232 C SER A 78 33.189 -20.795 -47.585 1.00 0.00 C ATOM 1233 O SER A 78 33.342 -19.597 -47.335 1.00 0.00 O ATOM 1234 CB SER A 78 33.109 -20.908 -50.131 1.00 0.00 C ATOM 1235 OG SER A 78 33.165 -19.495 -50.266 1.00 0.00 O ATOM 0 H SER A 78 32.989 -23.297 -49.285 1.00 0.00 H new ATOM 0 HA SER A 78 34.873 -21.097 -48.870 1.00 0.00 H new ATOM 0 HB2 SER A 78 33.565 -21.372 -51.006 1.00 0.00 H new ATOM 0 HB3 SER A 78 32.067 -21.226 -50.108 1.00 0.00 H new ATOM 0 HG SER A 78 33.221 -19.084 -49.378 1.00 0.00 H new ATOM 1241 N HIS A 79 32.456 -21.615 -46.800 1.00 0.00 N ATOM 1242 CA HIS A 79 31.713 -21.156 -45.599 1.00 0.00 C ATOM 1243 C HIS A 79 31.925 -22.167 -44.447 1.00 0.00 C ATOM 1244 O HIS A 79 31.197 -23.166 -44.361 1.00 0.00 O ATOM 1245 CB HIS A 79 30.195 -20.985 -45.914 1.00 0.00 C ATOM 1246 CG HIS A 79 29.917 -20.026 -47.043 1.00 0.00 C ATOM 1247 ND1 HIS A 79 29.547 -20.439 -48.305 1.00 0.00 N ATOM 1248 CD2 HIS A 79 30.006 -18.676 -47.111 1.00 0.00 C ATOM 1249 CE1 HIS A 79 29.421 -19.395 -49.096 1.00 0.00 C ATOM 1250 NE2 HIS A 79 29.694 -18.310 -48.400 1.00 0.00 N ATOM 0 H HIS A 79 32.361 -22.615 -46.979 1.00 0.00 H new ATOM 0 HA HIS A 79 32.097 -20.182 -45.295 1.00 0.00 H new ATOM 0 HB2 HIS A 79 29.772 -21.958 -46.163 1.00 0.00 H new ATOM 0 HB3 HIS A 79 29.684 -20.635 -45.017 1.00 0.00 H new ATOM 0 HD1 HIS A 79 29.394 -21.408 -48.584 1.00 0.00 H new ATOM 0 HD2 HIS A 79 30.272 -18.010 -46.303 1.00 0.00 H new ATOM 0 HE1 HIS A 79 29.141 -19.423 -50.139 1.00 0.00 H new ATOM 1259 N PRO A 80 32.957 -21.946 -43.567 1.00 0.00 N ATOM 1260 CA PRO A 80 33.257 -22.860 -42.438 1.00 0.00 C ATOM 1261 C PRO A 80 32.214 -22.748 -41.300 1.00 0.00 C ATOM 1262 O PRO A 80 31.559 -21.711 -41.139 1.00 0.00 O ATOM 1263 CB PRO A 80 34.672 -22.410 -41.991 1.00 0.00 C ATOM 1264 CG PRO A 80 34.737 -20.953 -42.343 1.00 0.00 C ATOM 1265 CD PRO A 80 33.909 -20.792 -43.606 1.00 0.00 C ATOM 0 HA PRO A 80 33.218 -23.912 -42.720 1.00 0.00 H new ATOM 0 HB2 PRO A 80 34.818 -22.566 -40.922 1.00 0.00 H new ATOM 0 HB3 PRO A 80 35.449 -22.977 -42.505 1.00 0.00 H new ATOM 0 HG2 PRO A 80 34.340 -20.338 -41.535 1.00 0.00 H new ATOM 0 HG3 PRO A 80 35.767 -20.637 -42.508 1.00 0.00 H new ATOM 0 HD2 PRO A 80 33.380 -19.839 -43.617 1.00 0.00 H new ATOM 0 HD3 PRO A 80 34.534 -20.820 -44.499 1.00 0.00 H new ATOM 1273 N GLY A 81 32.071 -23.839 -40.524 1.00 0.00 N ATOM 1274 CA GLY A 81 31.036 -23.943 -39.482 1.00 0.00 C ATOM 1275 C GLY A 81 29.859 -24.812 -39.922 1.00 0.00 C ATOM 1276 O GLY A 81 29.095 -25.313 -39.089 1.00 0.00 O ATOM 0 H GLY A 81 32.664 -24.665 -40.601 1.00 0.00 H new ATOM 0 HA2 GLY A 81 31.475 -24.361 -38.576 1.00 0.00 H new ATOM 0 HA3 GLY A 81 30.675 -22.946 -39.230 1.00 0.00 H new ATOM 1280 N ASN A 82 29.716 -24.971 -41.253 1.00 0.00 N ATOM 1281 CA ASN A 82 28.654 -25.780 -41.882 1.00 0.00 C ATOM 1282 C ASN A 82 29.112 -27.258 -42.012 1.00 0.00 C ATOM 1283 O ASN A 82 30.266 -27.510 -42.387 1.00 0.00 O ATOM 1284 CB ASN A 82 28.308 -25.166 -43.269 1.00 0.00 C ATOM 1285 CG ASN A 82 27.803 -23.720 -43.185 1.00 0.00 C ATOM 1286 OD1 ASN A 82 28.168 -22.871 -43.993 1.00 0.00 O ATOM 1287 ND2 ASN A 82 26.939 -23.428 -42.227 1.00 0.00 N ATOM 0 H ASN A 82 30.343 -24.535 -41.929 1.00 0.00 H new ATOM 0 HA ASN A 82 27.758 -25.770 -41.261 1.00 0.00 H new ATOM 0 HB2 ASN A 82 29.194 -25.198 -43.903 1.00 0.00 H new ATOM 0 HB3 ASN A 82 27.548 -25.781 -43.751 1.00 0.00 H new ATOM 0 HD21 ASN A 82 26.563 -22.483 -42.150 1.00 0.00 H new ATOM 0 HD22 ASN A 82 26.648 -24.148 -41.565 1.00 0.00 H new ATOM 1294 N PRO A 83 28.214 -28.258 -41.697 1.00 0.00 N ATOM 1295 CA PRO A 83 28.570 -29.704 -41.702 1.00 0.00 C ATOM 1296 C PRO A 83 28.753 -30.274 -43.128 1.00 0.00 C ATOM 1297 O PRO A 83 28.260 -29.697 -44.104 1.00 0.00 O ATOM 1298 CB PRO A 83 27.375 -30.357 -40.960 1.00 0.00 C ATOM 1299 CG PRO A 83 26.215 -29.461 -41.258 1.00 0.00 C ATOM 1300 CD PRO A 83 26.785 -28.054 -41.335 1.00 0.00 C ATOM 0 HA PRO A 83 29.531 -29.900 -41.227 1.00 0.00 H new ATOM 0 HB2 PRO A 83 27.194 -31.372 -41.315 1.00 0.00 H new ATOM 0 HB3 PRO A 83 27.561 -30.422 -39.888 1.00 0.00 H new ATOM 0 HG2 PRO A 83 25.736 -29.741 -42.197 1.00 0.00 H new ATOM 0 HG3 PRO A 83 25.456 -29.533 -40.479 1.00 0.00 H new ATOM 0 HD2 PRO A 83 26.266 -27.455 -42.083 1.00 0.00 H new ATOM 0 HD3 PRO A 83 26.686 -27.532 -40.383 1.00 0.00 H new ATOM 1308 N ALA A 84 29.476 -31.411 -43.214 1.00 0.00 N ATOM 1309 CA ALA A 84 29.859 -32.040 -44.493 1.00 0.00 C ATOM 1310 C ALA A 84 28.644 -32.609 -45.246 1.00 0.00 C ATOM 1311 O ALA A 84 27.691 -33.071 -44.628 1.00 0.00 O ATOM 1312 CB ALA A 84 30.904 -33.148 -44.263 1.00 0.00 C ATOM 0 H ALA A 84 29.811 -31.919 -42.395 1.00 0.00 H new ATOM 0 HA ALA A 84 30.296 -31.258 -45.114 1.00 0.00 H new ATOM 0 HB1 ALA A 84 31.173 -33.599 -45.218 1.00 0.00 H new ATOM 0 HB2 ALA A 84 31.793 -32.719 -43.801 1.00 0.00 H new ATOM 0 HB3 ALA A 84 30.486 -33.911 -43.606 1.00 0.00 H new ATOM 1318 N ILE A 85 28.730 -32.617 -46.592 1.00 0.00 N ATOM 1319 CA ILE A 85 27.653 -33.104 -47.487 1.00 0.00 C ATOM 1320 C ILE A 85 27.452 -34.638 -47.365 1.00 0.00 C ATOM 1321 O ILE A 85 26.447 -35.194 -47.838 1.00 0.00 O ATOM 1322 CB ILE A 85 27.937 -32.681 -48.981 1.00 0.00 C ATOM 1323 CG1 ILE A 85 26.700 -32.987 -49.897 1.00 0.00 C ATOM 1324 CG2 ILE A 85 29.239 -33.329 -49.527 1.00 0.00 C ATOM 1325 CD1 ILE A 85 26.840 -32.537 -51.329 1.00 0.00 C ATOM 0 H ILE A 85 29.553 -32.284 -47.095 1.00 0.00 H new ATOM 0 HA ILE A 85 26.722 -32.634 -47.170 1.00 0.00 H new ATOM 0 HB ILE A 85 28.096 -31.603 -48.995 1.00 0.00 H new ATOM 0 HG12 ILE A 85 26.516 -34.061 -49.886 1.00 0.00 H new ATOM 0 HG13 ILE A 85 25.821 -32.508 -49.466 1.00 0.00 H new ATOM 0 HG21 ILE A 85 29.398 -33.013 -50.558 1.00 0.00 H new ATOM 0 HG22 ILE A 85 30.085 -33.015 -48.916 1.00 0.00 H new ATOM 0 HG23 ILE A 85 29.148 -34.415 -49.491 1.00 0.00 H new ATOM 0 HD11 ILE A 85 25.935 -32.793 -51.881 1.00 0.00 H new ATOM 0 HD12 ILE A 85 26.990 -31.458 -51.358 1.00 0.00 H new ATOM 0 HD13 ILE A 85 27.696 -33.035 -51.785 1.00 0.00 H new ATOM 1337 N ALA A 86 28.407 -35.303 -46.688 1.00 0.00 N ATOM 1338 CA ALA A 86 28.356 -36.746 -46.378 1.00 0.00 C ATOM 1339 C ALA A 86 27.079 -37.131 -45.585 1.00 0.00 C ATOM 1340 O ALA A 86 26.562 -38.241 -45.735 1.00 0.00 O ATOM 1341 CB ALA A 86 29.620 -37.149 -45.599 1.00 0.00 C ATOM 0 H ALA A 86 29.248 -34.847 -46.335 1.00 0.00 H new ATOM 0 HA ALA A 86 28.317 -37.291 -47.321 1.00 0.00 H new ATOM 0 HB1 ALA A 86 29.582 -38.214 -45.370 1.00 0.00 H new ATOM 0 HB2 ALA A 86 30.502 -36.939 -46.203 1.00 0.00 H new ATOM 0 HB3 ALA A 86 29.672 -36.580 -44.671 1.00 0.00 H new ATOM 1347 N GLU A 87 26.577 -36.196 -44.750 1.00 0.00 N ATOM 1348 CA GLU A 87 25.335 -36.392 -43.951 1.00 0.00 C ATOM 1349 C GLU A 87 24.100 -35.718 -44.608 1.00 0.00 C ATOM 1350 O GLU A 87 23.004 -35.730 -44.037 1.00 0.00 O ATOM 1351 CB GLU A 87 25.544 -35.855 -42.506 1.00 0.00 C ATOM 1352 CG GLU A 87 25.969 -34.375 -42.439 1.00 0.00 C ATOM 1353 CD GLU A 87 26.064 -33.823 -41.015 1.00 0.00 C ATOM 1354 OE1 GLU A 87 25.095 -33.204 -40.537 1.00 0.00 O ATOM 1355 OE2 GLU A 87 27.109 -34.011 -40.359 1.00 0.00 O ATOM 0 H GLU A 87 27.015 -35.286 -44.607 1.00 0.00 H new ATOM 0 HA GLU A 87 25.132 -37.462 -43.915 1.00 0.00 H new ATOM 0 HB2 GLU A 87 24.618 -35.981 -41.946 1.00 0.00 H new ATOM 0 HB3 GLU A 87 26.302 -36.462 -42.011 1.00 0.00 H new ATOM 0 HG2 GLU A 87 26.937 -34.262 -42.928 1.00 0.00 H new ATOM 0 HG3 GLU A 87 25.255 -33.776 -43.004 1.00 0.00 H new ATOM 1362 N PHE A 88 24.284 -35.122 -45.799 1.00 0.00 N ATOM 1363 CA PHE A 88 23.202 -34.437 -46.547 1.00 0.00 C ATOM 1364 C PHE A 88 22.572 -35.417 -47.541 1.00 0.00 C ATOM 1365 O PHE A 88 23.243 -35.873 -48.472 1.00 0.00 O ATOM 1366 CB PHE A 88 23.752 -33.190 -47.299 1.00 0.00 C ATOM 1367 CG PHE A 88 24.099 -31.993 -46.409 1.00 0.00 C ATOM 1368 CD1 PHE A 88 23.795 -30.707 -46.817 1.00 0.00 C ATOM 1369 CD2 PHE A 88 24.739 -32.148 -45.179 1.00 0.00 C ATOM 1370 CE1 PHE A 88 24.120 -29.623 -46.039 1.00 0.00 C ATOM 1371 CE2 PHE A 88 25.061 -31.059 -44.399 1.00 0.00 C ATOM 1372 CZ PHE A 88 24.753 -29.796 -44.833 1.00 0.00 C ATOM 0 H PHE A 88 25.186 -35.099 -46.275 1.00 0.00 H new ATOM 0 HA PHE A 88 22.445 -34.098 -45.840 1.00 0.00 H new ATOM 0 HB2 PHE A 88 24.645 -33.483 -47.851 1.00 0.00 H new ATOM 0 HB3 PHE A 88 23.012 -32.873 -48.034 1.00 0.00 H new ATOM 0 HD1 PHE A 88 23.295 -30.553 -47.762 1.00 0.00 H new ATOM 0 HD2 PHE A 88 24.987 -33.140 -44.832 1.00 0.00 H new ATOM 0 HE1 PHE A 88 23.876 -28.627 -46.378 1.00 0.00 H new ATOM 0 HE2 PHE A 88 25.554 -31.200 -43.449 1.00 0.00 H new ATOM 0 HZ PHE A 88 25.008 -28.939 -44.228 1.00 0.00 H new ATOM 1382 N ASP A 89 21.296 -35.762 -47.313 1.00 0.00 N ATOM 1383 CA ASP A 89 20.552 -36.700 -48.171 1.00 0.00 C ATOM 1384 C ASP A 89 20.081 -35.996 -49.455 1.00 0.00 C ATOM 1385 O ASP A 89 19.390 -34.980 -49.384 1.00 0.00 O ATOM 1386 CB ASP A 89 19.320 -37.294 -47.421 1.00 0.00 C ATOM 1387 CG ASP A 89 18.558 -38.322 -48.269 1.00 0.00 C ATOM 1388 OD1 ASP A 89 18.746 -39.545 -48.079 1.00 0.00 O ATOM 1389 OD2 ASP A 89 17.787 -37.905 -49.144 1.00 0.00 O ATOM 0 H ASP A 89 20.751 -35.400 -46.531 1.00 0.00 H new ATOM 0 HA ASP A 89 21.227 -37.515 -48.432 1.00 0.00 H new ATOM 0 HB2 ASP A 89 19.654 -37.765 -46.497 1.00 0.00 H new ATOM 0 HB3 ASP A 89 18.644 -36.486 -47.141 1.00 0.00 H new ATOM 1394 N TRP A 90 20.443 -36.560 -50.613 1.00 0.00 N ATOM 1395 CA TRP A 90 19.926 -36.133 -51.937 1.00 0.00 C ATOM 1396 C TRP A 90 19.104 -37.278 -52.590 1.00 0.00 C ATOM 1397 O TRP A 90 18.436 -37.071 -53.603 1.00 0.00 O ATOM 1398 CB TRP A 90 21.106 -35.716 -52.863 1.00 0.00 C ATOM 1399 CG TRP A 90 21.864 -34.501 -52.374 1.00 0.00 C ATOM 1400 CD1 TRP A 90 22.900 -34.475 -51.477 1.00 0.00 C ATOM 1401 CD2 TRP A 90 21.628 -33.135 -52.753 1.00 0.00 C ATOM 1402 NE1 TRP A 90 23.316 -33.186 -51.282 1.00 0.00 N ATOM 1403 CE2 TRP A 90 22.553 -32.347 -52.051 1.00 0.00 C ATOM 1404 CE3 TRP A 90 20.726 -32.501 -53.615 1.00 0.00 C ATOM 1405 CZ2 TRP A 90 22.603 -30.966 -52.188 1.00 0.00 C ATOM 1406 CZ3 TRP A 90 20.777 -31.123 -53.745 1.00 0.00 C ATOM 1407 CH2 TRP A 90 21.711 -30.369 -53.033 1.00 0.00 C ATOM 0 H TRP A 90 21.107 -37.332 -50.668 1.00 0.00 H new ATOM 0 HA TRP A 90 19.271 -35.273 -51.797 1.00 0.00 H new ATOM 0 HB2 TRP A 90 21.798 -36.553 -52.953 1.00 0.00 H new ATOM 0 HB3 TRP A 90 20.718 -35.514 -53.862 1.00 0.00 H new ATOM 0 HD1 TRP A 90 23.325 -35.343 -50.995 1.00 0.00 H new ATOM 0 HE1 TRP A 90 24.073 -32.896 -50.663 1.00 0.00 H new ATOM 0 HE3 TRP A 90 20.001 -33.078 -54.170 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 23.327 -30.380 -51.642 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 20.084 -30.625 -54.407 1.00 0.00 H new ATOM 0 HH2 TRP A 90 21.729 -29.296 -53.152 1.00 0.00 H new ATOM 1418 N THR A 91 19.116 -38.463 -51.941 1.00 0.00 N ATOM 1419 CA THR A 91 18.652 -39.752 -52.522 1.00 0.00 C ATOM 1420 C THR A 91 17.265 -40.183 -51.969 1.00 0.00 C ATOM 1421 O THR A 91 16.842 -41.323 -52.165 1.00 0.00 O ATOM 1422 CB THR A 91 19.746 -40.869 -52.276 1.00 0.00 C ATOM 1423 OG1 THR A 91 19.356 -42.125 -52.874 1.00 0.00 O ATOM 1424 CG2 THR A 91 20.047 -41.082 -50.784 1.00 0.00 C ATOM 0 H THR A 91 19.453 -38.557 -50.983 1.00 0.00 H new ATOM 0 HA THR A 91 18.520 -39.613 -53.595 1.00 0.00 H new ATOM 0 HB THR A 91 20.657 -40.509 -52.754 1.00 0.00 H new ATOM 0 HG1 THR A 91 18.388 -42.244 -52.782 1.00 0.00 H new ATOM 0 HG21 THR A 91 20.804 -41.859 -50.673 1.00 0.00 H new ATOM 0 HG22 THR A 91 20.415 -40.152 -50.351 1.00 0.00 H new ATOM 0 HG23 THR A 91 19.136 -41.387 -50.269 1.00 0.00 H new