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 77 LYS NZ :NH3+ 167:sc= 0.00895 (180deg=0) USER MOD Set 1.2: A 78 SER OG : rot 94:sc= 0.687 USER MOD Set 2.1: A 67 SER OG : rot -15:sc= 0.515 USER MOD Set 2.2: A 68 ASN : amide:sc= -0.495 K(o=0.7,f=-2.7!) USER MOD Set 2.3: A 71 GLN : amide:sc= 0.685 K(o=0.7,f=-3.5) USER MOD Single : A 30 SER OG : rot -150:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -95:sc= 0.00843 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -131:sc= 0.209 (180deg=-1.37!) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -42:sc= 0.385 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc=-0.00459 K(o=-0.0046,f=-1.6) USER MOD Single : A 75 TYR OH : rot 180:sc= -0.506 USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 82 ASN : amide:sc= 0.256 K(o=0.26,f=-1.6!) USER MOD Single : A 91 THR OG1 : rot -33:sc= 0.609 USER MOD ----------------------------------------------------------------- ATOM 429 N VAL A 29 4.034 -28.177 -55.265 1.00 0.00 N ATOM 430 CA VAL A 29 3.924 -29.133 -54.139 1.00 0.00 C ATOM 431 C VAL A 29 5.326 -29.640 -53.741 1.00 0.00 C ATOM 432 O VAL A 29 6.128 -30.014 -54.601 1.00 0.00 O ATOM 433 CB VAL A 29 2.961 -30.343 -54.477 1.00 0.00 C ATOM 434 CG1 VAL A 29 1.506 -29.841 -54.665 1.00 0.00 C ATOM 435 CG2 VAL A 29 3.440 -31.139 -55.725 1.00 0.00 C ATOM 0 HA VAL A 29 3.482 -28.605 -53.294 1.00 0.00 H new ATOM 0 HB VAL A 29 2.987 -31.030 -53.631 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.857 -30.685 -54.897 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.165 -29.362 -53.747 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.472 -29.122 -55.483 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.750 -31.960 -55.920 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.469 -30.476 -56.590 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.437 -31.539 -55.541 1.00 0.00 H new ATOM 445 N SER A 30 5.612 -29.637 -52.428 1.00 0.00 N ATOM 446 CA SER A 30 6.911 -30.057 -51.885 1.00 0.00 C ATOM 447 C SER A 30 6.730 -30.691 -50.500 1.00 0.00 C ATOM 448 O SER A 30 5.840 -30.297 -49.730 1.00 0.00 O ATOM 449 CB SER A 30 7.870 -28.852 -51.799 1.00 0.00 C ATOM 450 OG SER A 30 7.330 -27.822 -50.987 1.00 0.00 O ATOM 0 H SER A 30 4.946 -29.342 -51.714 1.00 0.00 H new ATOM 0 HA SER A 30 7.343 -30.800 -52.555 1.00 0.00 H new ATOM 0 HB2 SER A 30 8.828 -29.175 -51.392 1.00 0.00 H new ATOM 0 HB3 SER A 30 8.063 -28.466 -52.800 1.00 0.00 H new ATOM 0 HG SER A 30 7.657 -26.953 -51.300 1.00 0.00 H new ATOM 456 N VAL A 31 7.572 -31.690 -50.208 1.00 0.00 N ATOM 457 CA VAL A 31 7.662 -32.326 -48.889 1.00 0.00 C ATOM 458 C VAL A 31 9.046 -32.018 -48.309 1.00 0.00 C ATOM 459 O VAL A 31 10.055 -32.168 -49.003 1.00 0.00 O ATOM 460 CB VAL A 31 7.454 -33.887 -48.969 1.00 0.00 C ATOM 461 CG1 VAL A 31 7.452 -34.541 -47.555 1.00 0.00 C ATOM 462 CG2 VAL A 31 6.172 -34.238 -49.756 1.00 0.00 C ATOM 0 H VAL A 31 8.219 -32.084 -50.891 1.00 0.00 H new ATOM 0 HA VAL A 31 6.871 -31.930 -48.253 1.00 0.00 H new ATOM 0 HB VAL A 31 8.302 -34.303 -49.513 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.306 -35.617 -47.652 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.405 -34.347 -47.063 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.643 -34.117 -46.959 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.054 -35.321 -49.795 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.308 -33.797 -49.259 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.248 -33.845 -50.770 1.00 0.00 H new ATOM 472 N GLU A 32 9.082 -31.564 -47.058 1.00 0.00 N ATOM 473 CA GLU A 32 10.326 -31.349 -46.318 1.00 0.00 C ATOM 474 C GLU A 32 10.806 -32.694 -45.741 1.00 0.00 C ATOM 475 O GLU A 32 10.187 -33.257 -44.833 1.00 0.00 O ATOM 476 CB GLU A 32 10.124 -30.288 -45.200 1.00 0.00 C ATOM 477 CG GLU A 32 9.809 -28.869 -45.735 1.00 0.00 C ATOM 478 CD GLU A 32 9.577 -27.823 -44.625 1.00 0.00 C ATOM 479 OE1 GLU A 32 10.551 -27.439 -43.938 1.00 0.00 O ATOM 480 OE2 GLU A 32 8.424 -27.361 -44.444 1.00 0.00 O ATOM 0 H GLU A 32 8.244 -31.333 -46.525 1.00 0.00 H new ATOM 0 HA GLU A 32 11.091 -30.963 -46.991 1.00 0.00 H new ATOM 0 HB2 GLU A 32 9.311 -30.610 -44.549 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.024 -30.244 -44.587 1.00 0.00 H new ATOM 0 HG2 GLU A 32 10.633 -28.538 -46.367 1.00 0.00 H new ATOM 0 HG3 GLU A 32 8.922 -28.918 -46.367 1.00 0.00 H new ATOM 487 N LEU A 33 11.907 -33.210 -46.300 1.00 0.00 N ATOM 488 CA LEU A 33 12.485 -34.521 -45.926 1.00 0.00 C ATOM 489 C LEU A 33 13.473 -34.344 -44.736 1.00 0.00 C ATOM 490 O LEU A 33 13.780 -33.197 -44.386 1.00 0.00 O ATOM 491 CB LEU A 33 13.150 -35.148 -47.203 1.00 0.00 C ATOM 492 CG LEU A 33 12.212 -35.987 -48.139 1.00 0.00 C ATOM 493 CD1 LEU A 33 11.776 -37.306 -47.480 1.00 0.00 C ATOM 494 CD2 LEU A 33 10.998 -35.182 -48.593 1.00 0.00 C ATOM 0 H LEU A 33 12.432 -32.731 -47.032 1.00 0.00 H new ATOM 0 HA LEU A 33 11.716 -35.211 -45.579 1.00 0.00 H new ATOM 0 HB2 LEU A 33 13.586 -34.341 -47.792 1.00 0.00 H new ATOM 0 HB3 LEU A 33 13.972 -35.788 -46.881 1.00 0.00 H new ATOM 0 HG LEU A 33 12.797 -36.236 -49.024 1.00 0.00 H new ATOM 0 HD11 LEU A 33 11.128 -37.856 -48.162 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.656 -37.907 -47.252 1.00 0.00 H new ATOM 0 HD13 LEU A 33 11.235 -37.091 -46.559 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.374 -35.799 -49.239 1.00 0.00 H new ATOM 0 HD22 LEU A 33 10.422 -34.870 -47.722 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.330 -34.301 -49.142 1.00 0.00 H new ATOM 506 N PRO A 34 13.967 -35.461 -44.058 1.00 0.00 N ATOM 507 CA PRO A 34 14.869 -35.358 -42.870 1.00 0.00 C ATOM 508 C PRO A 34 16.123 -34.492 -43.133 1.00 0.00 C ATOM 509 O PRO A 34 16.841 -34.699 -44.123 1.00 0.00 O ATOM 510 CB PRO A 34 15.243 -36.841 -42.552 1.00 0.00 C ATOM 511 CG PRO A 34 14.900 -37.592 -43.800 1.00 0.00 C ATOM 512 CD PRO A 34 13.676 -36.895 -44.346 1.00 0.00 C ATOM 0 HA PRO A 34 14.379 -34.856 -42.036 1.00 0.00 H new ATOM 0 HB2 PRO A 34 16.301 -36.940 -42.308 1.00 0.00 H new ATOM 0 HB3 PRO A 34 14.682 -37.217 -41.696 1.00 0.00 H new ATOM 0 HG2 PRO A 34 15.722 -37.566 -44.516 1.00 0.00 H new ATOM 0 HG3 PRO A 34 14.696 -38.641 -43.587 1.00 0.00 H new ATOM 0 HD2 PRO A 34 13.547 -37.077 -45.413 1.00 0.00 H new ATOM 0 HD3 PRO A 34 12.764 -37.231 -43.853 1.00 0.00 H new ATOM 520 N ALA A 35 16.365 -33.528 -42.231 1.00 0.00 N ATOM 521 CA ALA A 35 17.346 -32.438 -42.428 1.00 0.00 C ATOM 522 C ALA A 35 18.516 -32.513 -41.432 1.00 0.00 C ATOM 523 O ALA A 35 18.350 -33.046 -40.331 1.00 0.00 O ATOM 524 CB ALA A 35 16.631 -31.086 -42.273 1.00 0.00 C ATOM 0 H ALA A 35 15.883 -33.479 -41.334 1.00 0.00 H new ATOM 0 HA ALA A 35 17.764 -32.545 -43.429 1.00 0.00 H new ATOM 0 HB1 ALA A 35 17.347 -30.277 -42.417 1.00 0.00 H new ATOM 0 HB2 ALA A 35 15.839 -31.006 -43.017 1.00 0.00 H new ATOM 0 HB3 ALA A 35 16.199 -31.015 -41.275 1.00 0.00 H new ATOM 530 N PRO A 36 19.719 -31.957 -41.806 1.00 0.00 N ATOM 531 CA PRO A 36 20.806 -31.702 -40.841 1.00 0.00 C ATOM 532 C PRO A 36 20.426 -30.530 -39.904 1.00 0.00 C ATOM 533 O PRO A 36 19.732 -29.602 -40.322 1.00 0.00 O ATOM 534 CB PRO A 36 22.030 -31.379 -41.739 1.00 0.00 C ATOM 535 CG PRO A 36 21.459 -30.906 -43.039 1.00 0.00 C ATOM 536 CD PRO A 36 20.102 -31.563 -43.191 1.00 0.00 C ATOM 0 HA PRO A 36 21.011 -32.541 -40.177 1.00 0.00 H new ATOM 0 HB2 PRO A 36 22.659 -30.613 -41.285 1.00 0.00 H new ATOM 0 HB3 PRO A 36 22.655 -32.260 -41.882 1.00 0.00 H new ATOM 0 HG2 PRO A 36 21.365 -29.820 -43.047 1.00 0.00 H new ATOM 0 HG3 PRO A 36 22.113 -31.175 -43.868 1.00 0.00 H new ATOM 0 HD2 PRO A 36 19.375 -30.876 -43.623 1.00 0.00 H new ATOM 0 HD3 PRO A 36 20.153 -32.430 -43.850 1.00 0.00 H new ATOM 544 N SER A 37 20.906 -30.585 -38.653 1.00 0.00 N ATOM 545 CA SER A 37 20.473 -29.671 -37.566 1.00 0.00 C ATOM 546 C SER A 37 20.846 -28.192 -37.835 1.00 0.00 C ATOM 547 O SER A 37 20.199 -27.281 -37.311 1.00 0.00 O ATOM 548 CB SER A 37 21.074 -30.141 -36.216 1.00 0.00 C ATOM 549 OG SER A 37 20.627 -29.354 -35.118 1.00 0.00 O ATOM 0 H SER A 37 21.608 -31.264 -38.358 1.00 0.00 H new ATOM 0 HA SER A 37 19.385 -29.714 -37.524 1.00 0.00 H new ATOM 0 HB2 SER A 37 20.805 -31.183 -36.045 1.00 0.00 H new ATOM 0 HB3 SER A 37 22.162 -30.098 -36.271 1.00 0.00 H new ATOM 0 HG SER A 37 21.031 -29.689 -34.290 1.00 0.00 H new ATOM 555 N SER A 38 21.893 -27.972 -38.641 1.00 0.00 N ATOM 556 CA SER A 38 22.340 -26.626 -39.028 1.00 0.00 C ATOM 557 C SER A 38 21.484 -26.078 -40.189 1.00 0.00 C ATOM 558 O SER A 38 21.184 -24.884 -40.244 1.00 0.00 O ATOM 559 CB SER A 38 23.834 -26.669 -39.421 1.00 0.00 C ATOM 560 OG SER A 38 24.320 -25.406 -39.876 1.00 0.00 O ATOM 0 H SER A 38 22.455 -28.722 -39.044 1.00 0.00 H new ATOM 0 HA SER A 38 22.217 -25.954 -38.179 1.00 0.00 H new ATOM 0 HB2 SER A 38 24.422 -26.992 -38.562 1.00 0.00 H new ATOM 0 HB3 SER A 38 23.978 -27.413 -40.204 1.00 0.00 H new ATOM 0 HG SER A 38 24.271 -25.370 -40.854 1.00 0.00 H new ATOM 566 N TRP A 39 21.108 -26.974 -41.117 1.00 0.00 N ATOM 567 CA TRP A 39 20.403 -26.613 -42.363 1.00 0.00 C ATOM 568 C TRP A 39 18.926 -27.043 -42.295 1.00 0.00 C ATOM 569 O TRP A 39 18.387 -27.314 -41.219 1.00 0.00 O ATOM 570 CB TRP A 39 21.105 -27.292 -43.573 1.00 0.00 C ATOM 571 CG TRP A 39 22.478 -26.773 -43.905 1.00 0.00 C ATOM 572 CD1 TRP A 39 23.570 -26.719 -43.091 1.00 0.00 C ATOM 573 CD2 TRP A 39 22.902 -26.275 -45.171 1.00 0.00 C ATOM 574 NE1 TRP A 39 24.637 -26.201 -43.772 1.00 0.00 N ATOM 575 CE2 TRP A 39 24.253 -25.928 -45.051 1.00 0.00 C ATOM 576 CE3 TRP A 39 22.258 -26.087 -46.394 1.00 0.00 C ATOM 577 CZ2 TRP A 39 24.977 -25.413 -46.106 1.00 0.00 C ATOM 578 CZ3 TRP A 39 22.977 -25.571 -47.443 1.00 0.00 C ATOM 579 CH2 TRP A 39 24.329 -25.239 -47.297 1.00 0.00 C ATOM 0 H TRP A 39 21.284 -27.974 -41.025 1.00 0.00 H new ATOM 0 HA TRP A 39 20.437 -25.531 -42.487 1.00 0.00 H new ATOM 0 HB2 TRP A 39 21.179 -28.361 -43.374 1.00 0.00 H new ATOM 0 HB3 TRP A 39 20.470 -27.175 -44.451 1.00 0.00 H new ATOM 0 HD1 TRP A 39 23.590 -27.038 -42.060 1.00 0.00 H new ATOM 0 HE1 TRP A 39 25.568 -26.045 -43.386 1.00 0.00 H new ATOM 0 HE3 TRP A 39 21.215 -26.342 -46.513 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 26.020 -25.156 -45.995 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 22.492 -25.419 -48.396 1.00 0.00 H new ATOM 0 HH2 TRP A 39 24.870 -24.838 -48.141 1.00 0.00 H new ATOM 590 N LYS A 40 18.277 -27.053 -43.466 1.00 0.00 N ATOM 591 CA LYS A 40 16.932 -27.600 -43.659 1.00 0.00 C ATOM 592 C LYS A 40 16.895 -28.283 -45.035 1.00 0.00 C ATOM 593 O LYS A 40 17.661 -27.924 -45.936 1.00 0.00 O ATOM 594 CB LYS A 40 15.883 -26.469 -43.523 1.00 0.00 C ATOM 595 CG LYS A 40 14.410 -26.921 -43.523 1.00 0.00 C ATOM 596 CD LYS A 40 13.452 -25.765 -43.174 1.00 0.00 C ATOM 597 CE LYS A 40 13.678 -25.220 -41.751 1.00 0.00 C ATOM 598 NZ LYS A 40 12.955 -23.948 -41.523 1.00 0.00 N ATOM 0 H LYS A 40 18.682 -26.673 -44.322 1.00 0.00 H new ATOM 0 HA LYS A 40 16.688 -28.342 -42.899 1.00 0.00 H new ATOM 0 HB2 LYS A 40 16.078 -25.927 -42.597 1.00 0.00 H new ATOM 0 HB3 LYS A 40 16.028 -25.764 -44.342 1.00 0.00 H new ATOM 0 HG2 LYS A 40 14.153 -27.321 -44.504 1.00 0.00 H new ATOM 0 HG3 LYS A 40 14.279 -27.730 -42.805 1.00 0.00 H new ATOM 0 HD2 LYS A 40 13.585 -24.958 -43.894 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.422 -26.110 -43.268 1.00 0.00 H new ATOM 0 HE2 LYS A 40 13.348 -25.960 -41.022 1.00 0.00 H new ATOM 0 HE3 LYS A 40 14.744 -25.065 -41.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 13.134 -23.616 -40.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 13.288 -23.233 -42.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 11.935 -24.100 -41.654 1.00 0.00 H new ATOM 612 N LYS A 41 16.026 -29.283 -45.179 1.00 0.00 N ATOM 613 CA LYS A 41 15.997 -30.174 -46.345 1.00 0.00 C ATOM 614 C LYS A 41 14.574 -30.273 -46.891 1.00 0.00 C ATOM 615 O LYS A 41 13.624 -30.586 -46.164 1.00 0.00 O ATOM 616 CB LYS A 41 16.559 -31.555 -45.917 1.00 0.00 C ATOM 617 CG LYS A 41 16.143 -32.778 -46.747 1.00 0.00 C ATOM 618 CD LYS A 41 16.714 -32.789 -48.169 1.00 0.00 C ATOM 619 CE LYS A 41 16.578 -34.174 -48.797 1.00 0.00 C ATOM 620 NZ LYS A 41 17.179 -35.229 -47.916 1.00 0.00 N ATOM 0 H LYS A 41 15.313 -29.502 -44.483 1.00 0.00 H new ATOM 0 HA LYS A 41 16.618 -29.781 -47.150 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.647 -31.494 -45.930 1.00 0.00 H new ATOM 0 HB3 LYS A 41 16.262 -31.733 -44.883 1.00 0.00 H new ATOM 0 HG2 LYS A 41 16.465 -33.682 -46.230 1.00 0.00 H new ATOM 0 HG3 LYS A 41 15.055 -32.813 -46.803 1.00 0.00 H new ATOM 0 HD2 LYS A 41 16.191 -32.054 -48.781 1.00 0.00 H new ATOM 0 HD3 LYS A 41 17.764 -32.496 -48.147 1.00 0.00 H new ATOM 0 HE2 LYS A 41 15.525 -34.397 -48.969 1.00 0.00 H new ATOM 0 HE3 LYS A 41 17.069 -34.185 -49.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 17.809 -35.834 -48.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 17.724 -34.776 -47.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 16.421 -35.809 -47.502 1.00 0.00 H new ATOM 634 N LEU A 42 14.458 -30.026 -48.190 1.00 0.00 N ATOM 635 CA LEU A 42 13.200 -30.078 -48.927 1.00 0.00 C ATOM 636 C LEU A 42 13.413 -30.844 -50.242 1.00 0.00 C ATOM 637 O LEU A 42 14.505 -30.837 -50.817 1.00 0.00 O ATOM 638 CB LEU A 42 12.671 -28.618 -49.132 1.00 0.00 C ATOM 639 CG LEU A 42 11.515 -28.391 -50.173 1.00 0.00 C ATOM 640 CD1 LEU A 42 10.593 -27.218 -49.771 1.00 0.00 C ATOM 641 CD2 LEU A 42 12.085 -28.147 -51.586 1.00 0.00 C ATOM 0 H LEU A 42 15.256 -29.778 -48.775 1.00 0.00 H new ATOM 0 HA LEU A 42 12.435 -30.620 -48.371 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.327 -28.249 -48.166 1.00 0.00 H new ATOM 0 HB3 LEU A 42 13.515 -27.996 -49.429 1.00 0.00 H new ATOM 0 HG LEU A 42 10.916 -29.302 -50.181 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.809 -27.098 -50.519 1.00 0.00 H new ATOM 0 HD12 LEU A 42 10.140 -27.427 -48.802 1.00 0.00 H new ATOM 0 HD13 LEU A 42 11.178 -26.300 -49.708 1.00 0.00 H new ATOM 0 HD21 LEU A 42 11.265 -27.993 -52.287 1.00 0.00 H new ATOM 0 HD22 LEU A 42 12.723 -27.263 -51.573 1.00 0.00 H new ATOM 0 HD23 LEU A 42 12.670 -29.012 -51.897 1.00 0.00 H new ATOM 653 N PHE A 43 12.342 -31.503 -50.687 1.00 0.00 N ATOM 654 CA PHE A 43 12.262 -32.230 -51.956 1.00 0.00 C ATOM 655 C PHE A 43 10.928 -31.885 -52.631 1.00 0.00 C ATOM 656 O PHE A 43 9.895 -31.817 -51.968 1.00 0.00 O ATOM 657 CB PHE A 43 12.372 -33.758 -51.692 1.00 0.00 C ATOM 658 CG PHE A 43 12.084 -34.658 -52.904 1.00 0.00 C ATOM 659 CD1 PHE A 43 12.840 -34.558 -54.073 1.00 0.00 C ATOM 660 CD2 PHE A 43 11.048 -35.597 -52.874 1.00 0.00 C ATOM 661 CE1 PHE A 43 12.576 -35.364 -55.165 1.00 0.00 C ATOM 662 CE2 PHE A 43 10.787 -36.405 -53.968 1.00 0.00 C ATOM 663 CZ PHE A 43 11.546 -36.283 -55.115 1.00 0.00 C ATOM 0 H PHE A 43 11.474 -31.547 -50.154 1.00 0.00 H new ATOM 0 HA PHE A 43 13.082 -31.941 -52.613 1.00 0.00 H new ATOM 0 HB2 PHE A 43 13.377 -33.976 -51.330 1.00 0.00 H new ATOM 0 HB3 PHE A 43 11.680 -34.022 -50.892 1.00 0.00 H new ATOM 0 HD1 PHE A 43 13.644 -33.839 -54.125 1.00 0.00 H new ATOM 0 HD2 PHE A 43 10.443 -35.693 -51.985 1.00 0.00 H new ATOM 0 HE1 PHE A 43 13.176 -35.275 -56.058 1.00 0.00 H new ATOM 0 HE2 PHE A 43 9.989 -37.131 -53.924 1.00 0.00 H new ATOM 0 HZ PHE A 43 11.335 -36.905 -55.972 1.00 0.00 H new ATOM 673 N TYR A 44 10.964 -31.646 -53.945 1.00 0.00 N ATOM 674 CA TYR A 44 9.750 -31.471 -54.762 1.00 0.00 C ATOM 675 C TYR A 44 9.381 -32.814 -55.442 1.00 0.00 C ATOM 676 O TYR A 44 10.083 -33.233 -56.367 1.00 0.00 O ATOM 677 CB TYR A 44 9.967 -30.376 -55.833 1.00 0.00 C ATOM 678 CG TYR A 44 9.813 -28.932 -55.353 1.00 0.00 C ATOM 679 CD1 TYR A 44 10.892 -28.209 -54.843 1.00 0.00 C ATOM 680 CD2 TYR A 44 8.588 -28.283 -55.432 1.00 0.00 C ATOM 681 CE1 TYR A 44 10.745 -26.888 -54.449 1.00 0.00 C ATOM 682 CE2 TYR A 44 8.442 -26.974 -55.032 1.00 0.00 C ATOM 683 CZ TYR A 44 9.514 -26.281 -54.538 1.00 0.00 C ATOM 684 OH TYR A 44 9.361 -24.969 -54.153 1.00 0.00 O ATOM 0 H TYR A 44 11.832 -31.568 -54.476 1.00 0.00 H new ATOM 0 HA TYR A 44 8.932 -31.159 -54.112 1.00 0.00 H new ATOM 0 HB2 TYR A 44 10.967 -30.495 -56.249 1.00 0.00 H new ATOM 0 HB3 TYR A 44 9.261 -30.545 -56.646 1.00 0.00 H new ATOM 0 HD1 TYR A 44 11.857 -28.686 -54.754 1.00 0.00 H new ATOM 0 HD2 TYR A 44 7.731 -28.817 -55.816 1.00 0.00 H new ATOM 0 HE1 TYR A 44 11.595 -26.337 -54.073 1.00 0.00 H new ATOM 0 HE2 TYR A 44 7.478 -26.492 -55.108 1.00 0.00 H new ATOM 0 HH TYR A 44 8.428 -24.697 -54.282 1.00 0.00 H new ATOM 694 N PRO A 45 8.306 -33.528 -54.971 1.00 0.00 N ATOM 695 CA PRO A 45 7.781 -34.741 -55.650 1.00 0.00 C ATOM 696 C PRO A 45 6.893 -34.396 -56.869 1.00 0.00 C ATOM 697 O PRO A 45 6.342 -33.289 -56.957 1.00 0.00 O ATOM 698 CB PRO A 45 6.962 -35.428 -54.524 1.00 0.00 C ATOM 699 CG PRO A 45 6.440 -34.288 -53.705 1.00 0.00 C ATOM 700 CD PRO A 45 7.541 -33.238 -53.724 1.00 0.00 C ATOM 0 HA PRO A 45 8.569 -35.369 -56.065 1.00 0.00 H new ATOM 0 HB2 PRO A 45 6.150 -36.030 -54.932 1.00 0.00 H new ATOM 0 HB3 PRO A 45 7.585 -36.095 -53.928 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.514 -33.894 -54.125 1.00 0.00 H new ATOM 0 HG3 PRO A 45 6.218 -34.606 -52.686 1.00 0.00 H new ATOM 0 HD2 PRO A 45 7.128 -32.229 -53.736 1.00 0.00 H new ATOM 0 HD3 PRO A 45 8.176 -33.312 -52.841 1.00 0.00 H new ATOM 852 N GLU A 55 14.001 -29.718 -58.239 1.00 0.00 N ATOM 853 CA GLU A 55 14.991 -30.594 -57.578 1.00 0.00 C ATOM 854 C GLU A 55 14.896 -30.539 -56.031 1.00 0.00 C ATOM 855 O GLU A 55 13.956 -29.964 -55.459 1.00 0.00 O ATOM 856 CB GLU A 55 16.426 -30.238 -58.061 1.00 0.00 C ATOM 857 CG GLU A 55 16.895 -28.792 -57.747 1.00 0.00 C ATOM 858 CD GLU A 55 16.676 -27.793 -58.901 1.00 0.00 C ATOM 859 OE1 GLU A 55 15.595 -27.179 -58.977 1.00 0.00 O ATOM 860 OE2 GLU A 55 17.594 -27.616 -59.734 1.00 0.00 O ATOM 0 HA GLU A 55 14.762 -31.620 -57.865 1.00 0.00 H new ATOM 0 HB2 GLU A 55 17.128 -30.936 -57.605 1.00 0.00 H new ATOM 0 HB3 GLU A 55 16.477 -30.392 -59.139 1.00 0.00 H new ATOM 0 HG2 GLU A 55 16.365 -28.433 -56.865 1.00 0.00 H new ATOM 0 HG3 GLU A 55 17.955 -28.812 -57.495 1.00 0.00 H new ATOM 867 N VAL A 56 15.886 -31.169 -55.375 1.00 0.00 N ATOM 868 CA VAL A 56 16.044 -31.153 -53.915 1.00 0.00 C ATOM 869 C VAL A 56 16.720 -29.833 -53.511 1.00 0.00 C ATOM 870 O VAL A 56 17.814 -29.520 -53.989 1.00 0.00 O ATOM 871 CB VAL A 56 16.932 -32.362 -53.436 1.00 0.00 C ATOM 872 CG1 VAL A 56 17.239 -32.301 -51.921 1.00 0.00 C ATOM 873 CG2 VAL A 56 16.299 -33.721 -53.815 1.00 0.00 C ATOM 0 H VAL A 56 16.607 -31.710 -55.853 1.00 0.00 H new ATOM 0 HA VAL A 56 15.063 -31.241 -53.448 1.00 0.00 H new ATOM 0 HB VAL A 56 17.882 -32.274 -53.963 1.00 0.00 H new ATOM 0 HG11 VAL A 56 17.854 -33.156 -51.640 1.00 0.00 H new ATOM 0 HG12 VAL A 56 17.775 -31.379 -51.695 1.00 0.00 H new ATOM 0 HG13 VAL A 56 16.305 -32.325 -51.359 1.00 0.00 H new ATOM 0 HG21 VAL A 56 16.941 -34.531 -53.468 1.00 0.00 H new ATOM 0 HG22 VAL A 56 15.319 -33.809 -53.347 1.00 0.00 H new ATOM 0 HG23 VAL A 56 16.191 -33.783 -54.898 1.00 0.00 H new ATOM 883 N VAL A 57 16.041 -29.046 -52.664 1.00 0.00 N ATOM 884 CA VAL A 57 16.537 -27.740 -52.210 1.00 0.00 C ATOM 885 C VAL A 57 16.882 -27.812 -50.711 1.00 0.00 C ATOM 886 O VAL A 57 16.020 -28.125 -49.880 1.00 0.00 O ATOM 887 CB VAL A 57 15.484 -26.596 -52.470 1.00 0.00 C ATOM 888 CG1 VAL A 57 16.053 -25.194 -52.101 1.00 0.00 C ATOM 889 CG2 VAL A 57 14.969 -26.630 -53.936 1.00 0.00 C ATOM 0 H VAL A 57 15.132 -29.298 -52.275 1.00 0.00 H new ATOM 0 HA VAL A 57 17.433 -27.499 -52.782 1.00 0.00 H new ATOM 0 HB VAL A 57 14.633 -26.781 -51.814 1.00 0.00 H new ATOM 0 HG11 VAL A 57 15.298 -24.432 -52.294 1.00 0.00 H new ATOM 0 HG12 VAL A 57 16.323 -25.177 -51.045 1.00 0.00 H new ATOM 0 HG13 VAL A 57 16.937 -24.990 -52.705 1.00 0.00 H new ATOM 0 HG21 VAL A 57 14.244 -25.830 -54.086 1.00 0.00 H new ATOM 0 HG22 VAL A 57 15.807 -26.493 -54.619 1.00 0.00 H new ATOM 0 HG23 VAL A 57 14.494 -27.591 -54.133 1.00 0.00 H new ATOM 899 N PHE A 58 18.158 -27.570 -50.390 1.00 0.00 N ATOM 900 CA PHE A 58 18.631 -27.418 -49.006 1.00 0.00 C ATOM 901 C PHE A 58 18.618 -25.928 -48.619 1.00 0.00 C ATOM 902 O PHE A 58 19.300 -25.120 -49.252 1.00 0.00 O ATOM 903 CB PHE A 58 20.063 -28.008 -48.841 1.00 0.00 C ATOM 904 CG PHE A 58 20.108 -29.522 -48.649 1.00 0.00 C ATOM 905 CD1 PHE A 58 20.067 -30.395 -49.732 1.00 0.00 C ATOM 906 CD2 PHE A 58 20.203 -30.074 -47.367 1.00 0.00 C ATOM 907 CE1 PHE A 58 20.121 -31.768 -49.542 1.00 0.00 C ATOM 908 CE2 PHE A 58 20.254 -31.442 -47.186 1.00 0.00 C ATOM 909 CZ PHE A 58 20.218 -32.287 -48.273 1.00 0.00 C ATOM 0 H PHE A 58 18.897 -27.473 -51.086 1.00 0.00 H new ATOM 0 HA PHE A 58 17.963 -27.969 -48.344 1.00 0.00 H new ATOM 0 HB2 PHE A 58 20.652 -27.749 -49.721 1.00 0.00 H new ATOM 0 HB3 PHE A 58 20.542 -27.532 -47.985 1.00 0.00 H new ATOM 0 HD1 PHE A 58 19.992 -29.998 -50.734 1.00 0.00 H new ATOM 0 HD2 PHE A 58 20.237 -29.421 -46.507 1.00 0.00 H new ATOM 0 HE1 PHE A 58 20.087 -32.431 -50.394 1.00 0.00 H new ATOM 0 HE2 PHE A 58 20.322 -31.851 -46.189 1.00 0.00 H new ATOM 0 HZ PHE A 58 20.266 -33.356 -48.128 1.00 0.00 H new ATOM 919 N VAL A 59 17.850 -25.575 -47.573 1.00 0.00 N ATOM 920 CA VAL A 59 17.843 -24.216 -47.018 1.00 0.00 C ATOM 921 C VAL A 59 19.064 -24.044 -46.116 1.00 0.00 C ATOM 922 O VAL A 59 19.302 -24.849 -45.209 1.00 0.00 O ATOM 923 CB VAL A 59 16.510 -23.914 -46.231 1.00 0.00 C ATOM 924 CG1 VAL A 59 16.675 -22.789 -45.166 1.00 0.00 C ATOM 925 CG2 VAL A 59 15.383 -23.551 -47.212 1.00 0.00 C ATOM 0 H VAL A 59 17.222 -26.221 -47.094 1.00 0.00 H new ATOM 0 HA VAL A 59 17.890 -23.499 -47.838 1.00 0.00 H new ATOM 0 HB VAL A 59 16.251 -24.825 -45.692 1.00 0.00 H new ATOM 0 HG11 VAL A 59 15.724 -22.627 -44.658 1.00 0.00 H new ATOM 0 HG12 VAL A 59 17.430 -23.085 -44.438 1.00 0.00 H new ATOM 0 HG13 VAL A 59 16.986 -21.867 -45.656 1.00 0.00 H new ATOM 0 HG21 VAL A 59 14.469 -23.345 -46.656 1.00 0.00 H new ATOM 0 HG22 VAL A 59 15.668 -22.667 -47.782 1.00 0.00 H new ATOM 0 HG23 VAL A 59 15.213 -24.384 -47.895 1.00 0.00 H new ATOM 935 N ALA A 60 19.834 -22.985 -46.402 1.00 0.00 N ATOM 936 CA ALA A 60 21.075 -22.673 -45.694 1.00 0.00 C ATOM 937 C ALA A 60 20.785 -21.875 -44.408 1.00 0.00 C ATOM 938 O ALA A 60 19.838 -21.076 -44.381 1.00 0.00 O ATOM 939 CB ALA A 60 22.036 -21.905 -46.613 1.00 0.00 C ATOM 0 H ALA A 60 19.607 -22.317 -47.139 1.00 0.00 H new ATOM 0 HA ALA A 60 21.553 -23.609 -45.405 1.00 0.00 H new ATOM 0 HB1 ALA A 60 22.955 -21.680 -46.072 1.00 0.00 H new ATOM 0 HB2 ALA A 60 22.269 -22.514 -47.486 1.00 0.00 H new ATOM 0 HB3 ALA A 60 21.567 -20.975 -46.934 1.00 0.00 H new ATOM 945 N PRO A 61 21.628 -22.053 -43.346 1.00 0.00 N ATOM 946 CA PRO A 61 21.426 -21.400 -42.017 1.00 0.00 C ATOM 947 C PRO A 61 21.497 -19.848 -42.054 1.00 0.00 C ATOM 948 O PRO A 61 21.042 -19.176 -41.118 1.00 0.00 O ATOM 949 CB PRO A 61 22.586 -21.993 -41.159 1.00 0.00 C ATOM 950 CG PRO A 61 23.618 -22.418 -42.160 1.00 0.00 C ATOM 951 CD PRO A 61 22.836 -22.925 -43.345 1.00 0.00 C ATOM 0 HA PRO A 61 20.428 -21.596 -41.625 1.00 0.00 H new ATOM 0 HB2 PRO A 61 22.986 -21.252 -40.467 1.00 0.00 H new ATOM 0 HB3 PRO A 61 22.244 -22.837 -40.559 1.00 0.00 H new ATOM 0 HG2 PRO A 61 24.261 -21.584 -42.441 1.00 0.00 H new ATOM 0 HG3 PRO A 61 24.264 -23.196 -41.753 1.00 0.00 H new ATOM 0 HD2 PRO A 61 23.402 -22.832 -44.272 1.00 0.00 H new ATOM 0 HD3 PRO A 61 22.574 -23.977 -43.236 1.00 0.00 H new ATOM 959 N THR A 62 22.072 -19.287 -43.139 1.00 0.00 N ATOM 960 CA THR A 62 22.236 -17.823 -43.310 1.00 0.00 C ATOM 961 C THR A 62 21.325 -17.272 -44.430 1.00 0.00 C ATOM 962 O THR A 62 21.329 -16.061 -44.697 1.00 0.00 O ATOM 963 CB THR A 62 23.731 -17.468 -43.616 1.00 0.00 C ATOM 964 OG1 THR A 62 23.951 -16.048 -43.559 1.00 0.00 O ATOM 965 CG2 THR A 62 24.177 -17.988 -44.993 1.00 0.00 C ATOM 0 H THR A 62 22.436 -19.832 -43.921 1.00 0.00 H new ATOM 0 HA THR A 62 21.940 -17.352 -42.372 1.00 0.00 H new ATOM 0 HB THR A 62 24.326 -17.960 -42.847 1.00 0.00 H new ATOM 0 HG1 THR A 62 23.209 -15.584 -44.001 1.00 0.00 H new ATOM 0 HG21 THR A 62 25.220 -17.719 -45.163 1.00 0.00 H new ATOM 0 HG22 THR A 62 24.072 -19.072 -45.024 1.00 0.00 H new ATOM 0 HG23 THR A 62 23.556 -17.541 -45.769 1.00 0.00 H new ATOM 973 N GLY A 63 20.534 -18.154 -45.067 1.00 0.00 N ATOM 974 CA GLY A 63 19.696 -17.759 -46.200 1.00 0.00 C ATOM 975 C GLY A 63 20.511 -17.588 -47.487 1.00 0.00 C ATOM 976 O GLY A 63 20.645 -16.485 -48.020 1.00 0.00 O ATOM 0 H GLY A 63 20.462 -19.139 -44.814 1.00 0.00 H new ATOM 0 HA2 GLY A 63 18.923 -18.511 -46.358 1.00 0.00 H new ATOM 0 HA3 GLY A 63 19.188 -16.823 -45.966 1.00 0.00 H new ATOM 980 N GLU A 64 21.065 -18.707 -47.956 1.00 0.00 N ATOM 981 CA GLU A 64 21.805 -18.804 -49.227 1.00 0.00 C ATOM 982 C GLU A 64 21.615 -20.238 -49.737 1.00 0.00 C ATOM 983 O GLU A 64 22.511 -21.087 -49.636 1.00 0.00 O ATOM 984 CB GLU A 64 23.311 -18.410 -49.046 1.00 0.00 C ATOM 985 CG GLU A 64 24.136 -18.394 -50.354 1.00 0.00 C ATOM 986 CD GLU A 64 25.580 -17.875 -50.187 1.00 0.00 C ATOM 987 OE1 GLU A 64 25.807 -16.654 -50.337 1.00 0.00 O ATOM 988 OE2 GLU A 64 26.502 -18.683 -49.923 1.00 0.00 O ATOM 0 H GLU A 64 21.014 -19.594 -47.456 1.00 0.00 H new ATOM 0 HA GLU A 64 21.422 -18.098 -49.964 1.00 0.00 H new ATOM 0 HB2 GLU A 64 23.362 -17.422 -48.588 1.00 0.00 H new ATOM 0 HB3 GLU A 64 23.774 -19.108 -48.349 1.00 0.00 H new ATOM 0 HG2 GLU A 64 24.170 -19.405 -50.761 1.00 0.00 H new ATOM 0 HG3 GLU A 64 23.621 -17.773 -51.087 1.00 0.00 H new ATOM 995 N GLU A 65 20.385 -20.509 -50.212 1.00 0.00 N ATOM 996 CA GLU A 65 19.898 -21.880 -50.456 1.00 0.00 C ATOM 997 C GLU A 65 20.657 -22.568 -51.604 1.00 0.00 C ATOM 998 O GLU A 65 21.187 -21.916 -52.512 1.00 0.00 O ATOM 999 CB GLU A 65 18.371 -21.925 -50.766 1.00 0.00 C ATOM 1000 CG GLU A 65 17.442 -21.273 -49.718 1.00 0.00 C ATOM 1001 CD GLU A 65 17.430 -19.734 -49.771 1.00 0.00 C ATOM 1002 OE1 GLU A 65 16.917 -19.169 -50.767 1.00 0.00 O ATOM 1003 OE2 GLU A 65 17.940 -19.087 -48.837 1.00 0.00 O ATOM 0 H GLU A 65 19.702 -19.786 -50.437 1.00 0.00 H new ATOM 0 HA GLU A 65 20.084 -22.420 -49.528 1.00 0.00 H new ATOM 0 HB2 GLU A 65 18.202 -21.436 -51.725 1.00 0.00 H new ATOM 0 HB3 GLU A 65 18.076 -22.968 -50.884 1.00 0.00 H new ATOM 0 HG2 GLU A 65 16.427 -21.640 -49.867 1.00 0.00 H new ATOM 0 HG3 GLU A 65 17.753 -21.591 -48.723 1.00 0.00 H new ATOM 1010 N ILE A 66 20.653 -23.904 -51.551 1.00 0.00 N ATOM 1011 CA ILE A 66 21.359 -24.782 -52.485 1.00 0.00 C ATOM 1012 C ILE A 66 20.329 -25.635 -53.245 1.00 0.00 C ATOM 1013 O ILE A 66 19.323 -26.038 -52.664 1.00 0.00 O ATOM 1014 CB ILE A 66 22.337 -25.718 -51.696 1.00 0.00 C ATOM 1015 CG1 ILE A 66 23.350 -24.897 -50.824 1.00 0.00 C ATOM 1016 CG2 ILE A 66 23.056 -26.708 -52.629 1.00 0.00 C ATOM 1017 CD1 ILE A 66 24.204 -23.885 -51.557 1.00 0.00 C ATOM 0 H ILE A 66 20.142 -24.418 -50.834 1.00 0.00 H new ATOM 0 HA ILE A 66 21.934 -24.181 -53.190 1.00 0.00 H new ATOM 0 HB ILE A 66 21.731 -26.309 -51.010 1.00 0.00 H new ATOM 0 HG12 ILE A 66 22.788 -24.373 -50.050 1.00 0.00 H new ATOM 0 HG13 ILE A 66 24.012 -25.599 -50.317 1.00 0.00 H new ATOM 0 HG21 ILE A 66 23.725 -27.339 -52.044 1.00 0.00 H new ATOM 0 HG22 ILE A 66 22.319 -27.332 -53.135 1.00 0.00 H new ATOM 0 HG23 ILE A 66 23.634 -26.156 -53.370 1.00 0.00 H new ATOM 0 HD11 ILE A 66 24.862 -23.383 -50.848 1.00 0.00 H new ATOM 0 HD12 ILE A 66 24.804 -24.394 -52.311 1.00 0.00 H new ATOM 0 HD13 ILE A 66 23.562 -23.149 -52.040 1.00 0.00 H new ATOM 1029 N SER A 67 20.589 -25.908 -54.535 1.00 0.00 N ATOM 1030 CA SER A 67 19.702 -26.742 -55.375 1.00 0.00 C ATOM 1031 C SER A 67 20.481 -27.865 -56.107 1.00 0.00 C ATOM 1032 O SER A 67 19.873 -28.691 -56.790 1.00 0.00 O ATOM 1033 CB SER A 67 18.936 -25.833 -56.368 1.00 0.00 C ATOM 1034 OG SER A 67 19.819 -25.007 -57.111 1.00 0.00 O ATOM 0 H SER A 67 21.413 -25.561 -55.025 1.00 0.00 H new ATOM 0 HA SER A 67 18.983 -27.247 -54.730 1.00 0.00 H new ATOM 0 HB2 SER A 67 18.353 -26.451 -57.052 1.00 0.00 H new ATOM 0 HB3 SER A 67 18.229 -25.210 -55.820 1.00 0.00 H new ATOM 0 HG SER A 67 20.700 -25.002 -56.682 1.00 0.00 H new ATOM 1040 N ASN A 68 21.822 -27.917 -55.952 1.00 0.00 N ATOM 1041 CA ASN A 68 22.644 -29.001 -56.550 1.00 0.00 C ATOM 1042 C ASN A 68 23.911 -29.257 -55.720 1.00 0.00 C ATOM 1043 O ASN A 68 24.354 -28.386 -54.967 1.00 0.00 O ATOM 1044 CB ASN A 68 23.008 -28.703 -58.032 1.00 0.00 C ATOM 1045 CG ASN A 68 23.835 -27.430 -58.222 1.00 0.00 C ATOM 1046 OD1 ASN A 68 25.055 -27.457 -58.138 1.00 0.00 O ATOM 1047 ND2 ASN A 68 23.173 -26.318 -58.488 1.00 0.00 N ATOM 0 H ASN A 68 22.358 -27.229 -55.423 1.00 0.00 H new ATOM 0 HA ASN A 68 22.037 -29.906 -56.538 1.00 0.00 H new ATOM 0 HB2 ASN A 68 23.563 -29.549 -58.437 1.00 0.00 H new ATOM 0 HB3 ASN A 68 22.089 -28.618 -58.612 1.00 0.00 H new ATOM 0 HD21 ASN A 68 23.680 -25.444 -58.631 1.00 0.00 H new ATOM 0 HD22 ASN A 68 22.155 -26.333 -58.551 1.00 0.00 H new ATOM 1054 N ARG A 69 24.491 -30.464 -55.886 1.00 0.00 N ATOM 1055 CA ARG A 69 25.674 -30.923 -55.124 1.00 0.00 C ATOM 1056 C ARG A 69 26.904 -30.028 -55.339 1.00 0.00 C ATOM 1057 O ARG A 69 27.724 -29.890 -54.425 1.00 0.00 O ATOM 1058 CB ARG A 69 26.042 -32.385 -55.482 1.00 0.00 C ATOM 1059 CG ARG A 69 25.126 -33.458 -54.868 1.00 0.00 C ATOM 1060 CD ARG A 69 25.699 -34.873 -55.048 1.00 0.00 C ATOM 1061 NE ARG A 69 27.122 -34.947 -54.644 1.00 0.00 N ATOM 1062 CZ ARG A 69 27.926 -35.998 -54.826 1.00 0.00 C ATOM 1063 NH1 ARG A 69 27.444 -37.148 -55.278 1.00 0.00 N ATOM 1064 NH2 ARG A 69 29.214 -35.888 -54.540 1.00 0.00 N ATOM 0 H ARG A 69 24.150 -31.153 -56.557 1.00 0.00 H new ATOM 0 HA ARG A 69 25.391 -30.863 -54.073 1.00 0.00 H new ATOM 0 HB2 ARG A 69 26.025 -32.492 -56.567 1.00 0.00 H new ATOM 0 HB3 ARG A 69 27.066 -32.575 -55.159 1.00 0.00 H new ATOM 0 HG2 ARG A 69 24.989 -33.254 -53.806 1.00 0.00 H new ATOM 0 HG3 ARG A 69 24.141 -33.403 -55.332 1.00 0.00 H new ATOM 0 HD2 ARG A 69 25.116 -35.579 -54.456 1.00 0.00 H new ATOM 0 HD3 ARG A 69 25.601 -35.175 -56.091 1.00 0.00 H new ATOM 0 HE ARG A 69 27.522 -34.126 -54.189 1.00 0.00 H new ATOM 0 HH11 ARG A 69 26.450 -37.236 -55.490 1.00 0.00 H new ATOM 0 HH12 ARG A 69 28.067 -37.944 -55.413 1.00 0.00 H new ATOM 0 HH21 ARG A 69 29.584 -35.007 -54.184 1.00 0.00 H new ATOM 0 HH22 ARG A 69 29.836 -36.685 -54.675 1.00 0.00 H new ATOM 1078 N LYS A 70 27.036 -29.435 -56.543 1.00 0.00 N ATOM 1079 CA LYS A 70 28.162 -28.527 -56.845 1.00 0.00 C ATOM 1080 C LYS A 70 28.093 -27.340 -55.868 1.00 0.00 C ATOM 1081 O LYS A 70 29.048 -27.088 -55.127 1.00 0.00 O ATOM 1082 CB LYS A 70 28.137 -28.060 -58.341 1.00 0.00 C ATOM 1083 CG LYS A 70 29.506 -27.599 -58.921 1.00 0.00 C ATOM 1084 CD LYS A 70 30.059 -26.299 -58.281 1.00 0.00 C ATOM 1085 CE LYS A 70 31.465 -25.937 -58.773 1.00 0.00 C ATOM 1086 NZ LYS A 70 31.509 -25.676 -60.234 1.00 0.00 N ATOM 0 H LYS A 70 26.383 -29.567 -57.316 1.00 0.00 H new ATOM 0 HA LYS A 70 29.109 -29.050 -56.712 1.00 0.00 H new ATOM 0 HB2 LYS A 70 27.760 -28.879 -58.953 1.00 0.00 H new ATOM 0 HB3 LYS A 70 27.427 -27.239 -58.435 1.00 0.00 H new ATOM 0 HG2 LYS A 70 30.235 -28.398 -58.783 1.00 0.00 H new ATOM 0 HG3 LYS A 70 29.401 -27.446 -59.995 1.00 0.00 H new ATOM 0 HD2 LYS A 70 29.380 -25.475 -58.502 1.00 0.00 H new ATOM 0 HD3 LYS A 70 30.078 -26.414 -57.197 1.00 0.00 H new ATOM 0 HE2 LYS A 70 31.817 -25.054 -58.239 1.00 0.00 H new ATOM 0 HE3 LYS A 70 32.151 -26.749 -58.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 32.481 -25.436 -60.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 31.200 -26.526 -60.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 30.877 -24.883 -60.464 1.00 0.00 H new ATOM 1100 N GLN A 71 26.914 -26.679 -55.837 1.00 0.00 N ATOM 1101 CA GLN A 71 26.644 -25.542 -54.929 1.00 0.00 C ATOM 1102 C GLN A 71 26.905 -25.911 -53.453 1.00 0.00 C ATOM 1103 O GLN A 71 27.451 -25.101 -52.699 1.00 0.00 O ATOM 1104 CB GLN A 71 25.184 -25.041 -55.053 1.00 0.00 C ATOM 1105 CG GLN A 71 24.837 -24.266 -56.326 1.00 0.00 C ATOM 1106 CD GLN A 71 23.451 -23.622 -56.237 1.00 0.00 C ATOM 1107 OE1 GLN A 71 22.445 -24.214 -56.619 1.00 0.00 O ATOM 1108 NE2 GLN A 71 23.393 -22.413 -55.691 1.00 0.00 N ATOM 0 H GLN A 71 26.126 -26.918 -56.439 1.00 0.00 H new ATOM 0 HA GLN A 71 27.329 -24.750 -55.233 1.00 0.00 H new ATOM 0 HB2 GLN A 71 24.520 -25.903 -54.986 1.00 0.00 H new ATOM 0 HB3 GLN A 71 24.967 -24.404 -54.195 1.00 0.00 H new ATOM 0 HG2 GLN A 71 25.587 -23.494 -56.498 1.00 0.00 H new ATOM 0 HG3 GLN A 71 24.871 -24.939 -57.183 1.00 0.00 H new ATOM 0 HE21 GLN A 71 24.249 -21.950 -55.385 1.00 0.00 H new ATOM 0 HE22 GLN A 71 22.493 -21.947 -55.578 1.00 0.00 H new ATOM 1117 N LEU A 72 26.502 -27.138 -53.067 1.00 0.00 N ATOM 1118 CA LEU A 72 26.597 -27.614 -51.671 1.00 0.00 C ATOM 1119 C LEU A 72 28.079 -27.713 -51.244 1.00 0.00 C ATOM 1120 O LEU A 72 28.477 -27.134 -50.238 1.00 0.00 O ATOM 1121 CB LEU A 72 25.867 -28.996 -51.523 1.00 0.00 C ATOM 1122 CG LEU A 72 25.319 -29.396 -50.104 1.00 0.00 C ATOM 1123 CD1 LEU A 72 26.427 -29.597 -49.062 1.00 0.00 C ATOM 1124 CD2 LEU A 72 24.271 -28.385 -49.608 1.00 0.00 C ATOM 0 H LEU A 72 26.104 -27.824 -53.709 1.00 0.00 H new ATOM 0 HA LEU A 72 26.104 -26.900 -51.012 1.00 0.00 H new ATOM 0 HB2 LEU A 72 25.029 -29.006 -52.219 1.00 0.00 H new ATOM 0 HB3 LEU A 72 26.559 -29.775 -51.845 1.00 0.00 H new ATOM 0 HG LEU A 72 24.836 -30.365 -50.227 1.00 0.00 H new ATOM 0 HD11 LEU A 72 25.982 -29.871 -48.106 1.00 0.00 H new ATOM 0 HD12 LEU A 72 27.097 -30.391 -49.392 1.00 0.00 H new ATOM 0 HD13 LEU A 72 26.991 -28.671 -48.947 1.00 0.00 H new ATOM 0 HD21 LEU A 72 23.910 -28.688 -48.625 1.00 0.00 H new ATOM 0 HD22 LEU A 72 24.724 -27.396 -49.540 1.00 0.00 H new ATOM 0 HD23 LEU A 72 23.436 -28.354 -50.307 1.00 0.00 H new ATOM 1136 N GLU A 73 28.875 -28.427 -52.046 1.00 0.00 N ATOM 1137 CA GLU A 73 30.273 -28.761 -51.708 1.00 0.00 C ATOM 1138 C GLU A 73 31.190 -27.518 -51.776 1.00 0.00 C ATOM 1139 O GLU A 73 32.086 -27.350 -50.931 1.00 0.00 O ATOM 1140 CB GLU A 73 30.746 -29.917 -52.633 1.00 0.00 C ATOM 1141 CG GLU A 73 29.947 -31.227 -52.417 1.00 0.00 C ATOM 1142 CD GLU A 73 30.339 -32.381 -53.359 1.00 0.00 C ATOM 1143 OE1 GLU A 73 31.491 -32.861 -53.275 1.00 0.00 O ATOM 1144 OE2 GLU A 73 29.490 -32.841 -54.168 1.00 0.00 O ATOM 0 H GLU A 73 28.574 -28.792 -52.949 1.00 0.00 H new ATOM 0 HA GLU A 73 30.332 -29.102 -50.674 1.00 0.00 H new ATOM 0 HB2 GLU A 73 30.650 -29.606 -53.673 1.00 0.00 H new ATOM 0 HB3 GLU A 73 31.804 -30.109 -52.454 1.00 0.00 H new ATOM 0 HG2 GLU A 73 30.084 -31.555 -51.386 1.00 0.00 H new ATOM 0 HG3 GLU A 73 28.886 -31.015 -52.546 1.00 0.00 H new ATOM 1151 N GLN A 74 30.941 -26.622 -52.758 1.00 0.00 N ATOM 1152 CA GLN A 74 31.669 -25.341 -52.859 1.00 0.00 C ATOM 1153 C GLN A 74 31.250 -24.376 -51.733 1.00 0.00 C ATOM 1154 O GLN A 74 32.034 -23.508 -51.334 1.00 0.00 O ATOM 1155 CB GLN A 74 31.524 -24.687 -54.278 1.00 0.00 C ATOM 1156 CG GLN A 74 30.109 -24.209 -54.701 1.00 0.00 C ATOM 1157 CD GLN A 74 29.750 -22.769 -54.300 1.00 0.00 C ATOM 1158 OE1 GLN A 74 29.192 -22.521 -53.233 1.00 0.00 O ATOM 1159 NE2 GLN A 74 30.069 -21.813 -55.163 1.00 0.00 N ATOM 0 H GLN A 74 30.243 -26.764 -53.489 1.00 0.00 H new ATOM 0 HA GLN A 74 32.729 -25.558 -52.729 1.00 0.00 H new ATOM 0 HB2 GLN A 74 32.197 -23.831 -54.325 1.00 0.00 H new ATOM 0 HB3 GLN A 74 31.872 -25.407 -55.018 1.00 0.00 H new ATOM 0 HG2 GLN A 74 30.023 -24.298 -55.784 1.00 0.00 H new ATOM 0 HG3 GLN A 74 29.371 -24.883 -54.266 1.00 0.00 H new ATOM 0 HE21 GLN A 74 30.532 -22.051 -56.040 1.00 0.00 H new ATOM 0 HE22 GLN A 74 29.852 -20.840 -54.949 1.00 0.00 H new ATOM 1168 N TYR A 75 30.011 -24.544 -51.221 1.00 0.00 N ATOM 1169 CA TYR A 75 29.505 -23.767 -50.069 1.00 0.00 C ATOM 1170 C TYR A 75 30.329 -24.120 -48.821 1.00 0.00 C ATOM 1171 O TYR A 75 30.827 -23.232 -48.136 1.00 0.00 O ATOM 1172 CB TYR A 75 27.993 -24.058 -49.830 1.00 0.00 C ATOM 1173 CG TYR A 75 27.286 -23.170 -48.789 1.00 0.00 C ATOM 1174 CD1 TYR A 75 26.412 -22.156 -49.180 1.00 0.00 C ATOM 1175 CD2 TYR A 75 27.482 -23.350 -47.415 1.00 0.00 C ATOM 1176 CE1 TYR A 75 25.755 -21.376 -48.249 1.00 0.00 C ATOM 1177 CE2 TYR A 75 26.831 -22.565 -46.485 1.00 0.00 C ATOM 1178 CZ TYR A 75 25.976 -21.580 -46.905 1.00 0.00 C ATOM 1179 OH TYR A 75 25.316 -20.810 -45.980 1.00 0.00 O ATOM 0 H TYR A 75 29.339 -25.216 -51.591 1.00 0.00 H new ATOM 0 HA TYR A 75 29.609 -22.703 -50.280 1.00 0.00 H new ATOM 0 HB2 TYR A 75 27.470 -23.954 -50.781 1.00 0.00 H new ATOM 0 HB3 TYR A 75 27.889 -25.098 -49.520 1.00 0.00 H new ATOM 0 HD1 TYR A 75 26.246 -21.977 -50.232 1.00 0.00 H new ATOM 0 HD2 TYR A 75 28.158 -24.121 -47.075 1.00 0.00 H new ATOM 0 HE1 TYR A 75 25.069 -20.608 -48.574 1.00 0.00 H new ATOM 0 HE2 TYR A 75 26.995 -22.727 -45.430 1.00 0.00 H new ATOM 0 HH TYR A 75 25.583 -21.082 -45.077 1.00 0.00 H new ATOM 1189 N LEU A 76 30.475 -25.434 -48.571 1.00 0.00 N ATOM 1190 CA LEU A 76 31.120 -25.968 -47.352 1.00 0.00 C ATOM 1191 C LEU A 76 32.589 -25.515 -47.232 1.00 0.00 C ATOM 1192 O LEU A 76 33.026 -25.062 -46.168 1.00 0.00 O ATOM 1193 CB LEU A 76 31.051 -27.515 -47.341 1.00 0.00 C ATOM 1194 CG LEU A 76 29.636 -28.159 -47.470 1.00 0.00 C ATOM 1195 CD1 LEU A 76 29.727 -29.694 -47.394 1.00 0.00 C ATOM 1196 CD2 LEU A 76 28.638 -27.580 -46.436 1.00 0.00 C ATOM 0 H LEU A 76 30.149 -26.160 -49.209 1.00 0.00 H new ATOM 0 HA LEU A 76 30.574 -25.570 -46.497 1.00 0.00 H new ATOM 0 HB2 LEU A 76 31.669 -27.888 -48.158 1.00 0.00 H new ATOM 0 HB3 LEU A 76 31.501 -27.868 -46.413 1.00 0.00 H new ATOM 0 HG LEU A 76 29.240 -27.900 -48.452 1.00 0.00 H new ATOM 0 HD11 LEU A 76 28.729 -30.123 -47.486 1.00 0.00 H new ATOM 0 HD12 LEU A 76 30.356 -30.062 -48.205 1.00 0.00 H new ATOM 0 HD13 LEU A 76 30.160 -29.986 -46.437 1.00 0.00 H new ATOM 0 HD21 LEU A 76 27.666 -28.057 -46.562 1.00 0.00 H new ATOM 0 HD22 LEU A 76 29.007 -27.770 -45.428 1.00 0.00 H new ATOM 0 HD23 LEU A 76 28.538 -26.506 -46.589 1.00 0.00 H new ATOM 1208 N LYS A 77 33.335 -25.646 -48.341 1.00 0.00 N ATOM 1209 CA LYS A 77 34.772 -25.301 -48.377 1.00 0.00 C ATOM 1210 C LYS A 77 35.002 -23.771 -48.265 1.00 0.00 C ATOM 1211 O LYS A 77 36.054 -23.324 -47.798 1.00 0.00 O ATOM 1212 CB LYS A 77 35.442 -25.925 -49.645 1.00 0.00 C ATOM 1213 CG LYS A 77 34.923 -25.427 -51.023 1.00 0.00 C ATOM 1214 CD LYS A 77 35.642 -24.153 -51.526 1.00 0.00 C ATOM 1215 CE LYS A 77 35.128 -23.670 -52.889 1.00 0.00 C ATOM 1216 NZ LYS A 77 35.770 -22.397 -53.314 1.00 0.00 N ATOM 0 H LYS A 77 32.968 -25.989 -49.229 1.00 0.00 H new ATOM 0 HA LYS A 77 35.256 -25.735 -47.502 1.00 0.00 H new ATOM 0 HB2 LYS A 77 36.513 -25.731 -49.594 1.00 0.00 H new ATOM 0 HB3 LYS A 77 35.311 -27.006 -49.602 1.00 0.00 H new ATOM 0 HG2 LYS A 77 35.049 -26.221 -51.759 1.00 0.00 H new ATOM 0 HG3 LYS A 77 33.854 -25.227 -50.950 1.00 0.00 H new ATOM 0 HD2 LYS A 77 35.513 -23.357 -50.793 1.00 0.00 H new ATOM 0 HD3 LYS A 77 36.712 -24.351 -51.597 1.00 0.00 H new ATOM 0 HE2 LYS A 77 35.317 -24.438 -53.639 1.00 0.00 H new ATOM 0 HE3 LYS A 77 34.048 -23.531 -52.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 35.565 -22.223 -54.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 35.395 -21.612 -52.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 36.799 -22.464 -53.177 1.00 0.00 H new ATOM 1230 N SER A 78 34.005 -22.976 -48.706 1.00 0.00 N ATOM 1231 CA SER A 78 34.058 -21.493 -48.630 1.00 0.00 C ATOM 1232 C SER A 78 33.493 -20.968 -47.296 1.00 0.00 C ATOM 1233 O SER A 78 33.826 -19.852 -46.870 1.00 0.00 O ATOM 1234 CB SER A 78 33.266 -20.882 -49.806 1.00 0.00 C ATOM 1235 OG SER A 78 33.818 -21.275 -51.043 1.00 0.00 O ATOM 0 H SER A 78 33.146 -23.336 -49.122 1.00 0.00 H new ATOM 0 HA SER A 78 35.104 -21.194 -48.690 1.00 0.00 H new ATOM 0 HB2 SER A 78 32.224 -21.198 -49.751 1.00 0.00 H new ATOM 0 HB3 SER A 78 33.274 -19.795 -49.729 1.00 0.00 H new ATOM 0 HG SER A 78 33.350 -22.070 -51.372 1.00 0.00 H new ATOM 1241 N HIS A 79 32.629 -21.767 -46.649 1.00 0.00 N ATOM 1242 CA HIS A 79 31.899 -21.361 -45.435 1.00 0.00 C ATOM 1243 C HIS A 79 32.161 -22.369 -44.303 1.00 0.00 C ATOM 1244 O HIS A 79 31.495 -23.413 -44.233 1.00 0.00 O ATOM 1245 CB HIS A 79 30.378 -21.232 -45.736 1.00 0.00 C ATOM 1246 CG HIS A 79 30.053 -20.179 -46.757 1.00 0.00 C ATOM 1247 ND1 HIS A 79 30.356 -18.852 -46.569 1.00 0.00 N ATOM 1248 CD2 HIS A 79 29.496 -20.263 -47.987 1.00 0.00 C ATOM 1249 CE1 HIS A 79 30.008 -18.168 -47.639 1.00 0.00 C ATOM 1250 NE2 HIS A 79 29.477 -18.998 -48.516 1.00 0.00 N ATOM 0 H HIS A 79 32.416 -22.717 -46.954 1.00 0.00 H new ATOM 0 HA HIS A 79 32.258 -20.384 -45.111 1.00 0.00 H new ATOM 0 HB2 HIS A 79 30.003 -22.194 -46.086 1.00 0.00 H new ATOM 0 HB3 HIS A 79 29.851 -21.003 -44.810 1.00 0.00 H new ATOM 0 HD2 HIS A 79 29.133 -21.161 -48.464 1.00 0.00 H new ATOM 0 HE1 HIS A 79 30.136 -17.104 -47.776 1.00 0.00 H new ATOM 0 HE2 HIS A 79 29.113 -18.742 -49.434 1.00 0.00 H new ATOM 1259 N PRO A 80 33.176 -22.087 -43.418 1.00 0.00 N ATOM 1260 CA PRO A 80 33.503 -22.964 -42.268 1.00 0.00 C ATOM 1261 C PRO A 80 32.396 -22.959 -41.188 1.00 0.00 C ATOM 1262 O PRO A 80 31.685 -21.964 -41.015 1.00 0.00 O ATOM 1263 CB PRO A 80 34.836 -22.371 -41.742 1.00 0.00 C ATOM 1264 CG PRO A 80 34.793 -20.928 -42.139 1.00 0.00 C ATOM 1265 CD PRO A 80 34.084 -20.898 -43.475 1.00 0.00 C ATOM 0 HA PRO A 80 33.586 -24.014 -42.549 1.00 0.00 H new ATOM 0 HB2 PRO A 80 34.919 -22.482 -40.661 1.00 0.00 H new ATOM 0 HB3 PRO A 80 35.695 -22.877 -42.182 1.00 0.00 H new ATOM 0 HG2 PRO A 80 34.259 -20.333 -41.398 1.00 0.00 H new ATOM 0 HG3 PRO A 80 35.798 -20.513 -42.218 1.00 0.00 H new ATOM 0 HD2 PRO A 80 33.525 -19.972 -43.611 1.00 0.00 H new ATOM 0 HD3 PRO A 80 34.788 -20.970 -44.304 1.00 0.00 H new ATOM 1273 N GLY A 81 32.254 -24.093 -40.479 1.00 0.00 N ATOM 1274 CA GLY A 81 31.232 -24.251 -39.438 1.00 0.00 C ATOM 1275 C GLY A 81 30.019 -25.044 -39.918 1.00 0.00 C ATOM 1276 O GLY A 81 29.255 -25.571 -39.098 1.00 0.00 O ATOM 0 H GLY A 81 32.840 -24.917 -40.612 1.00 0.00 H new ATOM 0 HA2 GLY A 81 31.672 -24.754 -38.576 1.00 0.00 H new ATOM 0 HA3 GLY A 81 30.907 -23.267 -39.101 1.00 0.00 H new ATOM 1280 N ASN A 82 29.835 -25.122 -41.247 1.00 0.00 N ATOM 1281 CA ASN A 82 28.753 -25.913 -41.867 1.00 0.00 C ATOM 1282 C ASN A 82 29.113 -27.420 -41.859 1.00 0.00 C ATOM 1283 O ASN A 82 30.288 -27.769 -41.990 1.00 0.00 O ATOM 1284 CB ASN A 82 28.487 -25.422 -43.322 1.00 0.00 C ATOM 1285 CG ASN A 82 27.827 -24.044 -43.364 1.00 0.00 C ATOM 1286 OD1 ASN A 82 26.600 -23.933 -43.370 1.00 0.00 O ATOM 1287 ND2 ASN A 82 28.626 -22.983 -43.383 1.00 0.00 N ATOM 0 H ASN A 82 30.429 -24.641 -41.922 1.00 0.00 H new ATOM 0 HA ASN A 82 27.843 -25.773 -41.284 1.00 0.00 H new ATOM 0 HB2 ASN A 82 29.430 -25.386 -43.868 1.00 0.00 H new ATOM 0 HB3 ASN A 82 27.849 -26.142 -43.834 1.00 0.00 H new ATOM 0 HD21 ASN A 82 28.227 -22.044 -43.403 1.00 0.00 H new ATOM 0 HD22 ASN A 82 29.638 -23.107 -43.377 1.00 0.00 H new ATOM 1294 N PRO A 83 28.106 -28.336 -41.670 1.00 0.00 N ATOM 1295 CA PRO A 83 28.341 -29.798 -41.701 1.00 0.00 C ATOM 1296 C PRO A 83 28.554 -30.336 -43.135 1.00 0.00 C ATOM 1297 O PRO A 83 28.138 -29.712 -44.115 1.00 0.00 O ATOM 1298 CB PRO A 83 27.061 -30.371 -41.051 1.00 0.00 C ATOM 1299 CG PRO A 83 25.993 -29.367 -41.369 1.00 0.00 C ATOM 1300 CD PRO A 83 26.680 -28.015 -41.397 1.00 0.00 C ATOM 0 HA PRO A 83 29.253 -30.086 -41.179 1.00 0.00 H new ATOM 0 HB2 PRO A 83 26.816 -31.353 -41.457 1.00 0.00 H new ATOM 0 HB3 PRO A 83 27.183 -30.492 -39.975 1.00 0.00 H new ATOM 0 HG2 PRO A 83 25.526 -29.586 -42.329 1.00 0.00 H new ATOM 0 HG3 PRO A 83 25.203 -29.387 -40.618 1.00 0.00 H new ATOM 0 HD2 PRO A 83 26.261 -27.372 -42.171 1.00 0.00 H new ATOM 0 HD3 PRO A 83 26.564 -27.490 -40.449 1.00 0.00 H new ATOM 1308 N ALA A 84 29.193 -31.515 -43.219 1.00 0.00 N ATOM 1309 CA ALA A 84 29.624 -32.125 -44.493 1.00 0.00 C ATOM 1310 C ALA A 84 28.449 -32.731 -45.286 1.00 0.00 C ATOM 1311 O ALA A 84 27.463 -33.170 -44.700 1.00 0.00 O ATOM 1312 CB ALA A 84 30.685 -33.199 -44.216 1.00 0.00 C ATOM 0 H ALA A 84 29.428 -32.077 -42.401 1.00 0.00 H new ATOM 0 HA ALA A 84 30.047 -31.332 -45.110 1.00 0.00 H new ATOM 0 HB1 ALA A 84 31.002 -33.648 -45.157 1.00 0.00 H new ATOM 0 HB2 ALA A 84 31.544 -32.743 -43.724 1.00 0.00 H new ATOM 0 HB3 ALA A 84 30.263 -33.969 -43.570 1.00 0.00 H new ATOM 1318 N ILE A 85 28.600 -32.808 -46.627 1.00 0.00 N ATOM 1319 CA ILE A 85 27.573 -33.363 -47.546 1.00 0.00 C ATOM 1320 C ILE A 85 27.399 -34.896 -47.345 1.00 0.00 C ATOM 1321 O ILE A 85 26.434 -35.499 -47.830 1.00 0.00 O ATOM 1322 CB ILE A 85 27.906 -33.012 -49.056 1.00 0.00 C ATOM 1323 CG1 ILE A 85 26.708 -33.374 -50.004 1.00 0.00 C ATOM 1324 CG2 ILE A 85 29.220 -33.683 -49.511 1.00 0.00 C ATOM 1325 CD1 ILE A 85 26.886 -32.982 -51.465 1.00 0.00 C ATOM 0 H ILE A 85 29.440 -32.486 -47.107 1.00 0.00 H new ATOM 0 HA ILE A 85 26.621 -32.892 -47.299 1.00 0.00 H new ATOM 0 HB ILE A 85 28.054 -31.934 -49.121 1.00 0.00 H new ATOM 0 HG12 ILE A 85 26.539 -34.450 -49.953 1.00 0.00 H new ATOM 0 HG13 ILE A 85 25.808 -32.891 -49.624 1.00 0.00 H new ATOM 0 HG21 ILE A 85 29.420 -33.423 -50.550 1.00 0.00 H new ATOM 0 HG22 ILE A 85 30.042 -33.335 -48.885 1.00 0.00 H new ATOM 0 HG23 ILE A 85 29.127 -34.765 -49.419 1.00 0.00 H new ATOM 0 HD11 ILE A 85 26.003 -33.277 -52.031 1.00 0.00 H new ATOM 0 HD12 ILE A 85 27.020 -31.903 -51.538 1.00 0.00 H new ATOM 0 HD13 ILE A 85 27.763 -33.485 -51.873 1.00 0.00 H new ATOM 1337 N ALA A 86 28.334 -35.504 -46.588 1.00 0.00 N ATOM 1338 CA ALA A 86 28.278 -36.924 -46.178 1.00 0.00 C ATOM 1339 C ALA A 86 26.966 -37.268 -45.435 1.00 0.00 C ATOM 1340 O ALA A 86 26.468 -38.395 -45.539 1.00 0.00 O ATOM 1341 CB ALA A 86 29.500 -37.258 -45.303 1.00 0.00 C ATOM 0 H ALA A 86 29.160 -35.018 -46.239 1.00 0.00 H new ATOM 0 HA ALA A 86 28.298 -37.534 -47.081 1.00 0.00 H new ATOM 0 HB1 ALA A 86 29.457 -38.305 -45.002 1.00 0.00 H new ATOM 0 HB2 ALA A 86 30.413 -37.081 -45.871 1.00 0.00 H new ATOM 0 HB3 ALA A 86 29.496 -36.625 -44.416 1.00 0.00 H new ATOM 1347 N GLU A 87 26.410 -36.288 -44.694 1.00 0.00 N ATOM 1348 CA GLU A 87 25.117 -36.445 -43.989 1.00 0.00 C ATOM 1349 C GLU A 87 23.941 -35.836 -44.795 1.00 0.00 C ATOM 1350 O GLU A 87 22.773 -36.117 -44.491 1.00 0.00 O ATOM 1351 CB GLU A 87 25.193 -35.828 -42.566 1.00 0.00 C ATOM 1352 CG GLU A 87 25.629 -34.356 -42.521 1.00 0.00 C ATOM 1353 CD GLU A 87 25.670 -33.783 -41.097 1.00 0.00 C ATOM 1354 OE1 GLU A 87 24.689 -33.134 -40.663 1.00 0.00 O ATOM 1355 OE2 GLU A 87 26.679 -33.990 -40.396 1.00 0.00 O ATOM 0 H GLU A 87 26.839 -35.371 -44.567 1.00 0.00 H new ATOM 0 HA GLU A 87 24.922 -37.513 -43.894 1.00 0.00 H new ATOM 0 HB2 GLU A 87 24.214 -35.916 -42.095 1.00 0.00 H new ATOM 0 HB3 GLU A 87 25.889 -36.416 -41.968 1.00 0.00 H new ATOM 0 HG2 GLU A 87 26.617 -34.262 -42.973 1.00 0.00 H new ATOM 0 HG3 GLU A 87 24.944 -33.762 -43.126 1.00 0.00 H new ATOM 1362 N PHE A 88 24.252 -34.991 -45.804 1.00 0.00 N ATOM 1363 CA PHE A 88 23.231 -34.388 -46.696 1.00 0.00 C ATOM 1364 C PHE A 88 22.855 -35.410 -47.781 1.00 0.00 C ATOM 1365 O PHE A 88 23.666 -35.694 -48.676 1.00 0.00 O ATOM 1366 CB PHE A 88 23.768 -33.094 -47.382 1.00 0.00 C ATOM 1367 CG PHE A 88 24.035 -31.898 -46.465 1.00 0.00 C ATOM 1368 CD1 PHE A 88 23.695 -30.612 -46.863 1.00 0.00 C ATOM 1369 CD2 PHE A 88 24.642 -32.046 -45.226 1.00 0.00 C ATOM 1370 CE1 PHE A 88 23.953 -29.527 -46.055 1.00 0.00 C ATOM 1371 CE2 PHE A 88 24.896 -30.963 -44.420 1.00 0.00 C ATOM 1372 CZ PHE A 88 24.555 -29.702 -44.835 1.00 0.00 C ATOM 0 H PHE A 88 25.207 -34.709 -46.023 1.00 0.00 H new ATOM 0 HA PHE A 88 22.362 -34.121 -46.095 1.00 0.00 H new ATOM 0 HB2 PHE A 88 24.695 -33.341 -47.900 1.00 0.00 H new ATOM 0 HB3 PHE A 88 23.050 -32.788 -48.143 1.00 0.00 H new ATOM 0 HD1 PHE A 88 23.221 -30.460 -47.821 1.00 0.00 H new ATOM 0 HD2 PHE A 88 24.921 -33.033 -44.888 1.00 0.00 H new ATOM 0 HE1 PHE A 88 23.680 -28.535 -46.383 1.00 0.00 H new ATOM 0 HE2 PHE A 88 25.365 -31.105 -43.458 1.00 0.00 H new ATOM 0 HZ PHE A 88 24.759 -28.850 -44.204 1.00 0.00 H new ATOM 1382 N ASP A 89 21.647 -35.968 -47.707 1.00 0.00 N ATOM 1383 CA ASP A 89 21.190 -36.999 -48.656 1.00 0.00 C ATOM 1384 C ASP A 89 20.344 -36.358 -49.770 1.00 0.00 C ATOM 1385 O ASP A 89 19.343 -35.689 -49.511 1.00 0.00 O ATOM 1386 CB ASP A 89 20.410 -38.125 -47.913 1.00 0.00 C ATOM 1387 CG ASP A 89 19.118 -37.647 -47.227 1.00 0.00 C ATOM 1388 OD1 ASP A 89 19.205 -36.870 -46.259 1.00 0.00 O ATOM 1389 OD2 ASP A 89 18.014 -38.023 -47.661 1.00 0.00 O ATOM 0 H ASP A 89 20.958 -35.725 -46.996 1.00 0.00 H new ATOM 0 HA ASP A 89 22.060 -37.461 -49.122 1.00 0.00 H new ATOM 0 HB2 ASP A 89 20.161 -38.911 -48.626 1.00 0.00 H new ATOM 0 HB3 ASP A 89 21.063 -38.571 -47.163 1.00 0.00 H new ATOM 1394 N TRP A 90 20.806 -36.527 -51.016 1.00 0.00 N ATOM 1395 CA TRP A 90 20.078 -36.108 -52.233 1.00 0.00 C ATOM 1396 C TRP A 90 19.305 -37.315 -52.824 1.00 0.00 C ATOM 1397 O TRP A 90 18.459 -37.162 -53.711 1.00 0.00 O ATOM 1398 CB TRP A 90 21.092 -35.523 -53.257 1.00 0.00 C ATOM 1399 CG TRP A 90 21.873 -34.331 -52.721 1.00 0.00 C ATOM 1400 CD1 TRP A 90 22.959 -34.359 -51.884 1.00 0.00 C ATOM 1401 CD2 TRP A 90 21.615 -32.938 -52.983 1.00 0.00 C ATOM 1402 NE1 TRP A 90 23.378 -33.084 -51.607 1.00 0.00 N ATOM 1403 CE2 TRP A 90 22.577 -32.195 -52.273 1.00 0.00 C ATOM 1404 CE3 TRP A 90 20.672 -32.251 -53.757 1.00 0.00 C ATOM 1405 CZ2 TRP A 90 22.613 -30.806 -52.308 1.00 0.00 C ATOM 1406 CZ3 TRP A 90 20.708 -30.872 -53.784 1.00 0.00 C ATOM 1407 CH2 TRP A 90 21.676 -30.161 -53.068 1.00 0.00 C ATOM 0 H TRP A 90 21.706 -36.963 -51.215 1.00 0.00 H new ATOM 0 HA TRP A 90 19.350 -35.335 -51.989 1.00 0.00 H new ATOM 0 HB2 TRP A 90 21.793 -36.305 -53.550 1.00 0.00 H new ATOM 0 HB3 TRP A 90 20.556 -35.222 -54.157 1.00 0.00 H new ATOM 0 HD1 TRP A 90 23.418 -35.257 -51.498 1.00 0.00 H new ATOM 0 HE1 TRP A 90 24.161 -32.837 -51.002 1.00 0.00 H new ATOM 0 HE3 TRP A 90 19.928 -32.792 -54.324 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 23.357 -30.254 -51.753 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 19.977 -30.333 -54.368 1.00 0.00 H new ATOM 0 HH2 TRP A 90 21.684 -29.082 -53.116 1.00 0.00 H new ATOM 1418 N THR A 91 19.590 -38.504 -52.256 1.00 0.00 N ATOM 1419 CA THR A 91 18.988 -39.802 -52.629 1.00 0.00 C ATOM 1420 C THR A 91 17.645 -40.039 -51.878 1.00 0.00 C ATOM 1421 O THR A 91 17.136 -41.160 -51.833 1.00 0.00 O ATOM 1422 CB THR A 91 20.016 -40.959 -52.330 1.00 0.00 C ATOM 1423 OG1 THR A 91 19.515 -42.230 -52.775 1.00 0.00 O ATOM 1424 CG2 THR A 91 20.382 -41.052 -50.832 1.00 0.00 C ATOM 0 H THR A 91 20.268 -38.591 -51.499 1.00 0.00 H new ATOM 0 HA THR A 91 18.761 -39.792 -53.695 1.00 0.00 H new ATOM 0 HB THR A 91 20.920 -40.710 -52.886 1.00 0.00 H new ATOM 0 HG1 THR A 91 18.540 -42.251 -52.674 1.00 0.00 H new ATOM 0 HG21 THR A 91 21.093 -41.865 -50.681 1.00 0.00 H new ATOM 0 HG22 THR A 91 20.830 -40.113 -50.508 1.00 0.00 H new ATOM 0 HG23 THR A 91 19.482 -41.244 -50.249 1.00 0.00 H new