USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=13 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 78 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 79 HIS : no HE2:sc= 0.213 K(o=0.21,f=-0.79) USER MOD Set 2.1: A 67 SER OG : rot 68:sc= 0.67 USER MOD Set 2.2: A 68 ASN : amide:sc= -1.24! X(o=-0.57!,f=-0.41) USER MOD Set 2.3: A 71 GLN : amide:sc=-0.00409 X(o=-0.57,f=-0.89) USER MOD Single : A 30 SER OG : rot 24:sc= 0.0358 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+ 173:sc=-0.00499 (180deg=-0.0715) USER MOD Single : A 41 LYS NZ :NH3+ -164:sc= -0.272 (180deg=-0.946) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -28:sc= 0.168 USER MOD Single : A 70 LYS NZ :NH3+ -162:sc= -0.0568 (180deg=-0.37) USER MOD Single : A 74 GLN : amide:sc= -0.0396 K(o=-0.04,f=-0.84) USER MOD Single : A 75 TYR OH : rot -120:sc= -1.35 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -1.1 X(o=-1.1,f=-1.4) USER MOD Single : A 91 THR OG1 : rot -32:sc= 0.47 USER MOD ----------------------------------------------------------------- ATOM 429 N VAL A 29 3.900 -26.746 -55.342 1.00 0.00 N ATOM 430 CA VAL A 29 3.858 -28.145 -54.898 1.00 0.00 C ATOM 431 C VAL A 29 5.281 -28.577 -54.473 1.00 0.00 C ATOM 432 O VAL A 29 6.178 -28.769 -55.303 1.00 0.00 O ATOM 433 CB VAL A 29 3.225 -29.110 -55.995 1.00 0.00 C ATOM 434 CG1 VAL A 29 1.718 -28.788 -56.196 1.00 0.00 C ATOM 435 CG2 VAL A 29 3.979 -29.055 -57.356 1.00 0.00 C ATOM 0 HA VAL A 29 3.195 -28.226 -54.036 1.00 0.00 H new ATOM 0 HB VAL A 29 3.330 -30.127 -55.618 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.300 -29.456 -56.949 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.188 -28.926 -55.254 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.608 -27.755 -56.526 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.502 -29.733 -58.064 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.947 -28.039 -57.749 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.017 -29.354 -57.209 1.00 0.00 H new ATOM 445 N SER A 30 5.463 -28.701 -53.154 1.00 0.00 N ATOM 446 CA SER A 30 6.760 -28.957 -52.526 1.00 0.00 C ATOM 447 C SER A 30 6.535 -29.633 -51.168 1.00 0.00 C ATOM 448 O SER A 30 5.706 -29.178 -50.368 1.00 0.00 O ATOM 449 CB SER A 30 7.549 -27.633 -52.359 1.00 0.00 C ATOM 450 OG SER A 30 6.767 -26.654 -51.698 1.00 0.00 O ATOM 0 H SER A 30 4.699 -28.625 -52.483 1.00 0.00 H new ATOM 0 HA SER A 30 7.349 -29.619 -53.161 1.00 0.00 H new ATOM 0 HB2 SER A 30 8.461 -27.818 -51.792 1.00 0.00 H new ATOM 0 HB3 SER A 30 7.852 -27.261 -53.338 1.00 0.00 H new ATOM 0 HG SER A 30 6.081 -27.095 -51.155 1.00 0.00 H new ATOM 456 N VAL A 31 7.244 -30.744 -50.946 1.00 0.00 N ATOM 457 CA VAL A 31 7.233 -31.481 -49.675 1.00 0.00 C ATOM 458 C VAL A 31 8.633 -31.382 -49.059 1.00 0.00 C ATOM 459 O VAL A 31 9.628 -31.704 -49.718 1.00 0.00 O ATOM 460 CB VAL A 31 6.819 -32.996 -49.869 1.00 0.00 C ATOM 461 CG1 VAL A 31 6.818 -33.766 -48.514 1.00 0.00 C ATOM 462 CG2 VAL A 31 5.441 -33.105 -50.579 1.00 0.00 C ATOM 0 H VAL A 31 7.850 -31.163 -51.651 1.00 0.00 H new ATOM 0 HA VAL A 31 6.488 -31.039 -49.013 1.00 0.00 H new ATOM 0 HB VAL A 31 7.567 -33.466 -50.508 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.529 -34.803 -48.685 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.816 -33.735 -48.077 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.108 -33.300 -47.831 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.177 -34.155 -50.702 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.681 -32.608 -49.976 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.497 -32.628 -51.558 1.00 0.00 H new ATOM 472 N GLU A 32 8.698 -30.901 -47.817 1.00 0.00 N ATOM 473 CA GLU A 32 9.949 -30.784 -47.068 1.00 0.00 C ATOM 474 C GLU A 32 10.316 -32.150 -46.479 1.00 0.00 C ATOM 475 O GLU A 32 9.627 -32.662 -45.588 1.00 0.00 O ATOM 476 CB GLU A 32 9.831 -29.706 -45.957 1.00 0.00 C ATOM 477 CG GLU A 32 9.590 -28.281 -46.500 1.00 0.00 C ATOM 478 CD GLU A 32 9.545 -27.213 -45.392 1.00 0.00 C ATOM 479 OE1 GLU A 32 10.589 -26.580 -45.118 1.00 0.00 O ATOM 480 OE2 GLU A 32 8.471 -27.015 -44.782 1.00 0.00 O ATOM 0 H GLU A 32 7.880 -30.580 -47.300 1.00 0.00 H new ATOM 0 HA GLU A 32 10.743 -30.466 -47.743 1.00 0.00 H new ATOM 0 HB2 GLU A 32 9.013 -29.974 -45.288 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.744 -29.709 -45.361 1.00 0.00 H new ATOM 0 HG2 GLU A 32 10.380 -28.029 -47.207 1.00 0.00 H new ATOM 0 HG3 GLU A 32 8.650 -28.263 -47.052 1.00 0.00 H new ATOM 487 N LEU A 33 11.383 -32.748 -47.017 1.00 0.00 N ATOM 488 CA LEU A 33 11.876 -34.076 -46.603 1.00 0.00 C ATOM 489 C LEU A 33 12.836 -33.899 -45.405 1.00 0.00 C ATOM 490 O LEU A 33 13.313 -32.779 -45.190 1.00 0.00 O ATOM 491 CB LEU A 33 12.547 -34.787 -47.834 1.00 0.00 C ATOM 492 CG LEU A 33 11.589 -35.596 -48.777 1.00 0.00 C ATOM 493 CD1 LEU A 33 11.048 -36.862 -48.085 1.00 0.00 C ATOM 494 CD2 LEU A 33 10.440 -34.733 -49.305 1.00 0.00 C ATOM 0 H LEU A 33 11.938 -32.324 -47.760 1.00 0.00 H new ATOM 0 HA LEU A 33 11.060 -34.719 -46.273 1.00 0.00 H new ATOM 0 HB2 LEU A 33 13.055 -34.030 -48.431 1.00 0.00 H new ATOM 0 HB3 LEU A 33 13.313 -35.466 -47.461 1.00 0.00 H new ATOM 0 HG LEU A 33 12.186 -35.909 -49.634 1.00 0.00 H new ATOM 0 HD11 LEU A 33 10.388 -37.397 -48.768 1.00 0.00 H new ATOM 0 HD12 LEU A 33 11.880 -37.508 -47.805 1.00 0.00 H new ATOM 0 HD13 LEU A 33 10.492 -36.579 -47.191 1.00 0.00 H new ATOM 0 HD21 LEU A 33 9.802 -35.334 -49.953 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.854 -34.356 -48.467 1.00 0.00 H new ATOM 0 HD23 LEU A 33 10.845 -33.894 -49.871 1.00 0.00 H new ATOM 506 N PRO A 34 13.115 -34.980 -44.577 1.00 0.00 N ATOM 507 CA PRO A 34 13.900 -34.857 -43.314 1.00 0.00 C ATOM 508 C PRO A 34 15.247 -34.131 -43.507 1.00 0.00 C ATOM 509 O PRO A 34 16.053 -34.491 -44.380 1.00 0.00 O ATOM 510 CB PRO A 34 14.094 -36.326 -42.837 1.00 0.00 C ATOM 511 CG PRO A 34 13.772 -37.160 -44.037 1.00 0.00 C ATOM 512 CD PRO A 34 12.697 -36.397 -44.777 1.00 0.00 C ATOM 0 HA PRO A 34 13.379 -34.243 -42.579 1.00 0.00 H new ATOM 0 HB2 PRO A 34 15.114 -36.500 -42.496 1.00 0.00 H new ATOM 0 HB3 PRO A 34 13.434 -36.562 -42.002 1.00 0.00 H new ATOM 0 HG2 PRO A 34 14.653 -37.305 -44.663 1.00 0.00 H new ATOM 0 HG3 PRO A 34 13.421 -38.150 -43.745 1.00 0.00 H new ATOM 0 HD2 PRO A 34 12.662 -36.665 -45.833 1.00 0.00 H new ATOM 0 HD3 PRO A 34 11.706 -36.590 -44.366 1.00 0.00 H new ATOM 520 N ALA A 35 15.437 -33.083 -42.698 1.00 0.00 N ATOM 521 CA ALA A 35 16.545 -32.127 -42.822 1.00 0.00 C ATOM 522 C ALA A 35 17.541 -32.271 -41.663 1.00 0.00 C ATOM 523 O ALA A 35 17.153 -32.699 -40.569 1.00 0.00 O ATOM 524 CB ALA A 35 15.991 -30.687 -42.852 1.00 0.00 C ATOM 0 H ALA A 35 14.811 -32.870 -41.921 1.00 0.00 H new ATOM 0 HA ALA A 35 17.072 -32.341 -43.752 1.00 0.00 H new ATOM 0 HB1 ALA A 35 16.817 -29.981 -42.944 1.00 0.00 H new ATOM 0 HB2 ALA A 35 15.320 -30.573 -43.703 1.00 0.00 H new ATOM 0 HB3 ALA A 35 15.445 -30.488 -41.930 1.00 0.00 H new ATOM 530 N PRO A 36 18.843 -31.893 -41.879 1.00 0.00 N ATOM 531 CA PRO A 36 19.808 -31.691 -40.775 1.00 0.00 C ATOM 532 C PRO A 36 19.403 -30.445 -39.944 1.00 0.00 C ATOM 533 O PRO A 36 18.763 -29.534 -40.472 1.00 0.00 O ATOM 534 CB PRO A 36 21.161 -31.497 -41.508 1.00 0.00 C ATOM 535 CG PRO A 36 20.781 -30.969 -42.859 1.00 0.00 C ATOM 536 CD PRO A 36 19.465 -31.630 -43.210 1.00 0.00 C ATOM 0 HA PRO A 36 19.850 -32.516 -40.064 1.00 0.00 H new ATOM 0 HB2 PRO A 36 21.805 -30.798 -40.975 1.00 0.00 H new ATOM 0 HB3 PRO A 36 21.708 -32.436 -41.588 1.00 0.00 H new ATOM 0 HG2 PRO A 36 20.680 -29.884 -42.840 1.00 0.00 H new ATOM 0 HG3 PRO A 36 21.546 -31.205 -43.599 1.00 0.00 H new ATOM 0 HD2 PRO A 36 18.841 -30.981 -43.824 1.00 0.00 H new ATOM 0 HD3 PRO A 36 19.616 -32.552 -43.772 1.00 0.00 H new ATOM 544 N SER A 37 19.787 -30.418 -38.660 1.00 0.00 N ATOM 545 CA SER A 37 19.339 -29.386 -37.694 1.00 0.00 C ATOM 546 C SER A 37 19.828 -27.963 -38.065 1.00 0.00 C ATOM 547 O SER A 37 19.159 -26.974 -37.759 1.00 0.00 O ATOM 548 CB SER A 37 19.827 -29.762 -36.269 1.00 0.00 C ATOM 549 OG SER A 37 19.407 -31.075 -35.908 1.00 0.00 O ATOM 0 H SER A 37 20.418 -31.109 -38.254 1.00 0.00 H new ATOM 0 HA SER A 37 18.250 -29.363 -37.726 1.00 0.00 H new ATOM 0 HB2 SER A 37 20.914 -29.701 -36.227 1.00 0.00 H new ATOM 0 HB3 SER A 37 19.439 -29.043 -35.548 1.00 0.00 H new ATOM 0 HG SER A 37 19.730 -31.286 -35.007 1.00 0.00 H new ATOM 555 N SER A 38 20.987 -27.883 -38.737 1.00 0.00 N ATOM 556 CA SER A 38 21.629 -26.602 -39.098 1.00 0.00 C ATOM 557 C SER A 38 21.040 -26.018 -40.399 1.00 0.00 C ATOM 558 O SER A 38 21.030 -24.794 -40.600 1.00 0.00 O ATOM 559 CB SER A 38 23.142 -26.834 -39.262 1.00 0.00 C ATOM 560 OG SER A 38 23.683 -27.484 -38.125 1.00 0.00 O ATOM 0 H SER A 38 21.508 -28.703 -39.047 1.00 0.00 H new ATOM 0 HA SER A 38 21.441 -25.881 -38.302 1.00 0.00 H new ATOM 0 HB2 SER A 38 23.327 -27.436 -40.152 1.00 0.00 H new ATOM 0 HB3 SER A 38 23.646 -25.879 -39.413 1.00 0.00 H new ATOM 0 HG SER A 38 24.645 -27.622 -38.254 1.00 0.00 H new ATOM 566 N TRP A 39 20.569 -26.911 -41.285 1.00 0.00 N ATOM 567 CA TRP A 39 20.023 -26.547 -42.606 1.00 0.00 C ATOM 568 C TRP A 39 18.518 -26.882 -42.656 1.00 0.00 C ATOM 569 O TRP A 39 17.926 -27.304 -41.667 1.00 0.00 O ATOM 570 CB TRP A 39 20.768 -27.322 -43.739 1.00 0.00 C ATOM 571 CG TRP A 39 22.211 -26.925 -43.968 1.00 0.00 C ATOM 572 CD1 TRP A 39 23.226 -26.888 -43.049 1.00 0.00 C ATOM 573 CD2 TRP A 39 22.800 -26.560 -45.220 1.00 0.00 C ATOM 574 NE1 TRP A 39 24.395 -26.500 -43.651 1.00 0.00 N ATOM 575 CE2 TRP A 39 24.163 -26.296 -44.982 1.00 0.00 C ATOM 576 CE3 TRP A 39 22.306 -26.429 -46.512 1.00 0.00 C ATOM 577 CZ2 TRP A 39 25.029 -25.908 -45.995 1.00 0.00 C ATOM 578 CZ3 TRP A 39 23.161 -26.041 -47.516 1.00 0.00 C ATOM 579 CH2 TRP A 39 24.516 -25.785 -47.259 1.00 0.00 C ATOM 0 H TRP A 39 20.556 -27.915 -41.104 1.00 0.00 H new ATOM 0 HA TRP A 39 20.166 -25.477 -42.759 1.00 0.00 H new ATOM 0 HB2 TRP A 39 20.736 -28.387 -43.507 1.00 0.00 H new ATOM 0 HB3 TRP A 39 20.220 -27.182 -44.671 1.00 0.00 H new ATOM 0 HD1 TRP A 39 23.121 -27.130 -42.002 1.00 0.00 H new ATOM 0 HE1 TRP A 39 25.293 -26.383 -43.181 1.00 0.00 H new ATOM 0 HE3 TRP A 39 21.266 -26.629 -46.724 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 26.071 -25.710 -45.793 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 22.782 -25.931 -48.521 1.00 0.00 H new ATOM 0 HH2 TRP A 39 25.164 -25.487 -48.070 1.00 0.00 H new ATOM 590 N LYS A 40 17.914 -26.624 -43.819 1.00 0.00 N ATOM 591 CA LYS A 40 16.591 -27.144 -44.206 1.00 0.00 C ATOM 592 C LYS A 40 16.771 -27.990 -45.483 1.00 0.00 C ATOM 593 O LYS A 40 17.824 -27.946 -46.141 1.00 0.00 O ATOM 594 CB LYS A 40 15.542 -25.997 -44.392 1.00 0.00 C ATOM 595 CG LYS A 40 14.695 -25.650 -43.140 1.00 0.00 C ATOM 596 CD LYS A 40 15.506 -25.059 -41.962 1.00 0.00 C ATOM 597 CE LYS A 40 16.163 -23.704 -42.295 1.00 0.00 C ATOM 598 NZ LYS A 40 15.154 -22.667 -42.634 1.00 0.00 N ATOM 0 H LYS A 40 18.337 -26.035 -44.537 1.00 0.00 H new ATOM 0 HA LYS A 40 16.189 -27.770 -43.409 1.00 0.00 H new ATOM 0 HB2 LYS A 40 16.068 -25.098 -44.713 1.00 0.00 H new ATOM 0 HB3 LYS A 40 14.865 -26.276 -45.200 1.00 0.00 H new ATOM 0 HG2 LYS A 40 13.921 -24.937 -43.426 1.00 0.00 H new ATOM 0 HG3 LYS A 40 14.187 -26.552 -42.799 1.00 0.00 H new ATOM 0 HD2 LYS A 40 14.847 -24.934 -41.102 1.00 0.00 H new ATOM 0 HD3 LYS A 40 16.280 -25.769 -41.670 1.00 0.00 H new ATOM 0 HE2 LYS A 40 16.756 -23.369 -41.444 1.00 0.00 H new ATOM 0 HE3 LYS A 40 16.850 -23.830 -43.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 15.624 -21.745 -42.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 14.686 -22.917 -43.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 14.444 -22.612 -41.876 1.00 0.00 H new ATOM 612 N LYS A 41 15.742 -28.773 -45.801 1.00 0.00 N ATOM 613 CA LYS A 41 15.764 -29.765 -46.882 1.00 0.00 C ATOM 614 C LYS A 41 14.340 -29.926 -47.434 1.00 0.00 C ATOM 615 O LYS A 41 13.402 -30.322 -46.729 1.00 0.00 O ATOM 616 CB LYS A 41 16.357 -31.097 -46.345 1.00 0.00 C ATOM 617 CG LYS A 41 15.927 -32.394 -47.038 1.00 0.00 C ATOM 618 CD LYS A 41 16.452 -32.543 -48.465 1.00 0.00 C ATOM 619 CE LYS A 41 16.220 -33.959 -48.985 1.00 0.00 C ATOM 620 NZ LYS A 41 16.736 -34.982 -48.034 1.00 0.00 N ATOM 0 H LYS A 41 14.851 -28.737 -45.307 1.00 0.00 H new ATOM 0 HA LYS A 41 16.402 -29.440 -47.704 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.443 -31.029 -46.403 1.00 0.00 H new ATOM 0 HB3 LYS A 41 16.099 -31.178 -45.289 1.00 0.00 H new ATOM 0 HG2 LYS A 41 16.272 -33.241 -46.445 1.00 0.00 H new ATOM 0 HG3 LYS A 41 14.838 -32.440 -47.056 1.00 0.00 H new ATOM 0 HD2 LYS A 41 15.954 -31.826 -49.117 1.00 0.00 H new ATOM 0 HD3 LYS A 41 17.517 -32.311 -48.491 1.00 0.00 H new ATOM 0 HE2 LYS A 41 15.154 -34.118 -49.148 1.00 0.00 H new ATOM 0 HE3 LYS A 41 16.711 -34.078 -49.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 16.814 -35.899 -48.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 17.673 -34.693 -47.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 16.082 -35.070 -47.230 1.00 0.00 H new ATOM 634 N LEU A 42 14.232 -29.620 -48.712 1.00 0.00 N ATOM 635 CA LEU A 42 12.989 -29.599 -49.471 1.00 0.00 C ATOM 636 C LEU A 42 13.190 -30.428 -50.748 1.00 0.00 C ATOM 637 O LEU A 42 14.303 -30.533 -51.259 1.00 0.00 O ATOM 638 CB LEU A 42 12.612 -28.094 -49.748 1.00 0.00 C ATOM 639 CG LEU A 42 11.521 -27.772 -50.840 1.00 0.00 C ATOM 640 CD1 LEU A 42 10.781 -26.444 -50.540 1.00 0.00 C ATOM 641 CD2 LEU A 42 12.146 -27.707 -52.250 1.00 0.00 C ATOM 0 H LEU A 42 15.042 -29.367 -49.278 1.00 0.00 H new ATOM 0 HA LEU A 42 12.157 -30.047 -48.928 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.275 -27.660 -48.807 1.00 0.00 H new ATOM 0 HB3 LEU A 42 13.526 -27.572 -50.031 1.00 0.00 H new ATOM 0 HG LEU A 42 10.796 -28.585 -50.808 1.00 0.00 H new ATOM 0 HD11 LEU A 42 10.038 -26.258 -51.315 1.00 0.00 H new ATOM 0 HD12 LEU A 42 10.285 -26.514 -49.572 1.00 0.00 H new ATOM 0 HD13 LEU A 42 11.499 -25.624 -50.521 1.00 0.00 H new ATOM 0 HD21 LEU A 42 11.370 -27.483 -52.982 1.00 0.00 H new ATOM 0 HD22 LEU A 42 12.905 -26.925 -52.276 1.00 0.00 H new ATOM 0 HD23 LEU A 42 12.605 -28.666 -52.489 1.00 0.00 H new ATOM 653 N PHE A 43 12.098 -31.024 -51.221 1.00 0.00 N ATOM 654 CA PHE A 43 12.016 -31.685 -52.528 1.00 0.00 C ATOM 655 C PHE A 43 10.768 -31.166 -53.256 1.00 0.00 C ATOM 656 O PHE A 43 9.724 -30.959 -52.629 1.00 0.00 O ATOM 657 CB PHE A 43 11.961 -33.227 -52.334 1.00 0.00 C ATOM 658 CG PHE A 43 11.649 -34.029 -53.607 1.00 0.00 C ATOM 659 CD1 PHE A 43 12.481 -33.957 -54.728 1.00 0.00 C ATOM 660 CD2 PHE A 43 10.519 -34.848 -53.683 1.00 0.00 C ATOM 661 CE1 PHE A 43 12.186 -34.661 -55.882 1.00 0.00 C ATOM 662 CE2 PHE A 43 10.230 -35.554 -54.839 1.00 0.00 C ATOM 663 CZ PHE A 43 11.064 -35.466 -55.933 1.00 0.00 C ATOM 0 H PHE A 43 11.224 -31.064 -50.697 1.00 0.00 H new ATOM 0 HA PHE A 43 12.896 -31.460 -53.130 1.00 0.00 H new ATOM 0 HB2 PHE A 43 12.919 -33.563 -51.936 1.00 0.00 H new ATOM 0 HB3 PHE A 43 11.205 -33.457 -51.583 1.00 0.00 H new ATOM 0 HD1 PHE A 43 13.368 -33.342 -54.693 1.00 0.00 H new ATOM 0 HD2 PHE A 43 9.863 -34.931 -52.829 1.00 0.00 H new ATOM 0 HE1 PHE A 43 12.833 -34.581 -56.743 1.00 0.00 H new ATOM 0 HE2 PHE A 43 9.348 -36.176 -54.883 1.00 0.00 H new ATOM 0 HZ PHE A 43 10.841 -36.026 -56.829 1.00 0.00 H new ATOM 673 N TYR A 44 10.894 -30.933 -54.567 1.00 0.00 N ATOM 674 CA TYR A 44 9.753 -30.563 -55.428 1.00 0.00 C ATOM 675 C TYR A 44 9.201 -31.823 -56.146 1.00 0.00 C ATOM 676 O TYR A 44 9.828 -32.312 -57.091 1.00 0.00 O ATOM 677 CB TYR A 44 10.166 -29.482 -56.471 1.00 0.00 C ATOM 678 CG TYR A 44 10.098 -28.028 -55.979 1.00 0.00 C ATOM 679 CD1 TYR A 44 11.233 -27.352 -55.537 1.00 0.00 C ATOM 680 CD2 TYR A 44 8.886 -27.339 -55.952 1.00 0.00 C ATOM 681 CE1 TYR A 44 11.156 -26.046 -55.086 1.00 0.00 C ATOM 682 CE2 TYR A 44 8.805 -26.035 -55.507 1.00 0.00 C ATOM 683 CZ TYR A 44 9.939 -25.395 -55.074 1.00 0.00 C ATOM 684 OH TYR A 44 9.861 -24.095 -54.619 1.00 0.00 O ATOM 0 H TYR A 44 11.783 -30.994 -55.064 1.00 0.00 H new ATOM 0 HA TYR A 44 8.970 -30.140 -54.798 1.00 0.00 H new ATOM 0 HB2 TYR A 44 11.185 -29.689 -56.799 1.00 0.00 H new ATOM 0 HB3 TYR A 44 9.523 -29.582 -57.346 1.00 0.00 H new ATOM 0 HD1 TYR A 44 12.189 -27.855 -55.546 1.00 0.00 H new ATOM 0 HD2 TYR A 44 7.989 -27.838 -56.287 1.00 0.00 H new ATOM 0 HE1 TYR A 44 12.046 -25.538 -54.744 1.00 0.00 H new ATOM 0 HE2 TYR A 44 7.855 -25.521 -55.500 1.00 0.00 H new ATOM 0 HH TYR A 44 8.934 -23.783 -54.677 1.00 0.00 H new ATOM 694 N PRO A 45 8.042 -32.399 -55.687 1.00 0.00 N ATOM 695 CA PRO A 45 7.363 -33.499 -56.404 1.00 0.00 C ATOM 696 C PRO A 45 6.591 -32.992 -57.644 1.00 0.00 C ATOM 697 O PRO A 45 6.187 -31.825 -57.712 1.00 0.00 O ATOM 698 CB PRO A 45 6.405 -34.083 -55.331 1.00 0.00 C ATOM 699 CG PRO A 45 6.064 -32.908 -54.467 1.00 0.00 C ATOM 700 CD PRO A 45 7.320 -32.049 -54.435 1.00 0.00 C ATOM 0 HA PRO A 45 8.060 -34.237 -56.801 1.00 0.00 H new ATOM 0 HB2 PRO A 45 5.514 -34.516 -55.786 1.00 0.00 H new ATOM 0 HB3 PRO A 45 6.886 -34.874 -54.756 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.219 -32.353 -54.875 1.00 0.00 H new ATOM 0 HG3 PRO A 45 5.781 -33.227 -53.464 1.00 0.00 H new ATOM 0 HD2 PRO A 45 7.074 -30.988 -54.402 1.00 0.00 H new ATOM 0 HD3 PRO A 45 7.925 -32.264 -53.554 1.00 0.00 H new ATOM 852 N GLU A 55 14.099 -30.833 -58.918 1.00 0.00 N ATOM 853 CA GLU A 55 14.951 -31.647 -58.026 1.00 0.00 C ATOM 854 C GLU A 55 14.874 -31.157 -56.552 1.00 0.00 C ATOM 855 O GLU A 55 13.983 -30.378 -56.177 1.00 0.00 O ATOM 856 CB GLU A 55 16.437 -31.666 -58.544 1.00 0.00 C ATOM 857 CG GLU A 55 17.166 -30.293 -58.572 1.00 0.00 C ATOM 858 CD GLU A 55 16.856 -29.448 -59.822 1.00 0.00 C ATOM 859 OE1 GLU A 55 15.943 -28.604 -59.777 1.00 0.00 O ATOM 860 OE2 GLU A 55 17.505 -29.651 -60.867 1.00 0.00 O ATOM 0 HA GLU A 55 14.570 -32.668 -58.044 1.00 0.00 H new ATOM 0 HB2 GLU A 55 17.011 -32.347 -57.916 1.00 0.00 H new ATOM 0 HB3 GLU A 55 16.444 -32.080 -59.552 1.00 0.00 H new ATOM 0 HG2 GLU A 55 16.887 -29.726 -57.684 1.00 0.00 H new ATOM 0 HG3 GLU A 55 18.241 -30.462 -58.517 1.00 0.00 H new ATOM 867 N VAL A 56 15.817 -31.658 -55.737 1.00 0.00 N ATOM 868 CA VAL A 56 15.927 -31.375 -54.298 1.00 0.00 C ATOM 869 C VAL A 56 16.671 -30.038 -54.063 1.00 0.00 C ATOM 870 O VAL A 56 17.654 -29.744 -54.751 1.00 0.00 O ATOM 871 CB VAL A 56 16.722 -32.547 -53.611 1.00 0.00 C ATOM 872 CG1 VAL A 56 16.993 -32.275 -52.112 1.00 0.00 C ATOM 873 CG2 VAL A 56 15.998 -33.900 -53.817 1.00 0.00 C ATOM 0 H VAL A 56 16.545 -32.289 -56.072 1.00 0.00 H new ATOM 0 HA VAL A 56 14.928 -31.295 -53.870 1.00 0.00 H new ATOM 0 HB VAL A 56 17.695 -32.604 -54.098 1.00 0.00 H new ATOM 0 HG11 VAL A 56 17.544 -33.113 -51.684 1.00 0.00 H new ATOM 0 HG12 VAL A 56 17.581 -31.363 -52.008 1.00 0.00 H new ATOM 0 HG13 VAL A 56 16.045 -32.158 -51.586 1.00 0.00 H new ATOM 0 HG21 VAL A 56 16.567 -34.694 -53.333 1.00 0.00 H new ATOM 0 HG22 VAL A 56 15.001 -33.849 -53.380 1.00 0.00 H new ATOM 0 HG23 VAL A 56 15.916 -34.110 -54.883 1.00 0.00 H new ATOM 883 N VAL A 57 16.173 -29.236 -53.096 1.00 0.00 N ATOM 884 CA VAL A 57 16.804 -27.970 -52.664 1.00 0.00 C ATOM 885 C VAL A 57 17.131 -28.050 -51.152 1.00 0.00 C ATOM 886 O VAL A 57 16.221 -28.164 -50.329 1.00 0.00 O ATOM 887 CB VAL A 57 15.861 -26.725 -52.927 1.00 0.00 C ATOM 888 CG1 VAL A 57 16.545 -25.391 -52.501 1.00 0.00 C ATOM 889 CG2 VAL A 57 15.396 -26.676 -54.410 1.00 0.00 C ATOM 0 H VAL A 57 15.314 -29.451 -52.589 1.00 0.00 H new ATOM 0 HA VAL A 57 17.715 -27.833 -53.246 1.00 0.00 H new ATOM 0 HB VAL A 57 14.973 -26.847 -52.306 1.00 0.00 H new ATOM 0 HG11 VAL A 57 15.870 -24.558 -52.695 1.00 0.00 H new ATOM 0 HG12 VAL A 57 16.781 -25.426 -51.437 1.00 0.00 H new ATOM 0 HG13 VAL A 57 17.463 -25.255 -53.072 1.00 0.00 H new ATOM 0 HG21 VAL A 57 14.750 -25.811 -54.560 1.00 0.00 H new ATOM 0 HG22 VAL A 57 16.266 -26.597 -55.062 1.00 0.00 H new ATOM 0 HG23 VAL A 57 14.845 -27.586 -54.649 1.00 0.00 H new ATOM 899 N PHE A 58 18.430 -28.013 -50.809 1.00 0.00 N ATOM 900 CA PHE A 58 18.895 -27.870 -49.412 1.00 0.00 C ATOM 901 C PHE A 58 19.022 -26.376 -49.074 1.00 0.00 C ATOM 902 O PHE A 58 19.891 -25.700 -49.613 1.00 0.00 O ATOM 903 CB PHE A 58 20.265 -28.589 -49.195 1.00 0.00 C ATOM 904 CG PHE A 58 20.162 -30.081 -48.869 1.00 0.00 C ATOM 905 CD1 PHE A 58 20.130 -31.045 -49.874 1.00 0.00 C ATOM 906 CD2 PHE A 58 20.084 -30.514 -47.542 1.00 0.00 C ATOM 907 CE1 PHE A 58 20.053 -32.391 -49.564 1.00 0.00 C ATOM 908 CE2 PHE A 58 20.004 -31.861 -47.237 1.00 0.00 C ATOM 909 CZ PHE A 58 19.977 -32.797 -48.249 1.00 0.00 C ATOM 0 H PHE A 58 19.188 -28.081 -51.488 1.00 0.00 H new ATOM 0 HA PHE A 58 18.166 -28.339 -48.751 1.00 0.00 H new ATOM 0 HB2 PHE A 58 20.869 -28.469 -50.094 1.00 0.00 H new ATOM 0 HB3 PHE A 58 20.797 -28.090 -48.385 1.00 0.00 H new ATOM 0 HD1 PHE A 58 20.166 -30.738 -50.909 1.00 0.00 H new ATOM 0 HD2 PHE A 58 20.086 -29.787 -46.744 1.00 0.00 H new ATOM 0 HE1 PHE A 58 20.052 -33.126 -50.355 1.00 0.00 H new ATOM 0 HE2 PHE A 58 19.963 -32.179 -46.206 1.00 0.00 H new ATOM 0 HZ PHE A 58 19.896 -33.847 -48.012 1.00 0.00 H new ATOM 919 N VAL A 59 18.173 -25.883 -48.167 1.00 0.00 N ATOM 920 CA VAL A 59 18.179 -24.473 -47.751 1.00 0.00 C ATOM 921 C VAL A 59 19.308 -24.231 -46.744 1.00 0.00 C ATOM 922 O VAL A 59 19.479 -24.983 -45.783 1.00 0.00 O ATOM 923 CB VAL A 59 16.786 -24.059 -47.148 1.00 0.00 C ATOM 924 CG1 VAL A 59 16.865 -22.783 -46.258 1.00 0.00 C ATOM 925 CG2 VAL A 59 15.746 -23.874 -48.274 1.00 0.00 C ATOM 0 H VAL A 59 17.463 -26.447 -47.700 1.00 0.00 H new ATOM 0 HA VAL A 59 18.356 -23.850 -48.628 1.00 0.00 H new ATOM 0 HB VAL A 59 16.470 -24.873 -46.496 1.00 0.00 H new ATOM 0 HG11 VAL A 59 15.874 -22.547 -45.871 1.00 0.00 H new ATOM 0 HG12 VAL A 59 17.546 -22.961 -45.426 1.00 0.00 H new ATOM 0 HG13 VAL A 59 17.230 -21.946 -46.853 1.00 0.00 H new ATOM 0 HG21 VAL A 59 14.788 -23.588 -47.841 1.00 0.00 H new ATOM 0 HG22 VAL A 59 16.083 -23.094 -48.956 1.00 0.00 H new ATOM 0 HG23 VAL A 59 15.632 -24.810 -48.821 1.00 0.00 H new ATOM 935 N ALA A 60 20.049 -23.142 -46.989 1.00 0.00 N ATOM 936 CA ALA A 60 21.268 -22.798 -46.249 1.00 0.00 C ATOM 937 C ALA A 60 20.954 -21.993 -44.971 1.00 0.00 C ATOM 938 O ALA A 60 19.927 -21.307 -44.914 1.00 0.00 O ATOM 939 CB ALA A 60 22.216 -22.007 -47.162 1.00 0.00 C ATOM 0 H ALA A 60 19.814 -22.467 -47.717 1.00 0.00 H new ATOM 0 HA ALA A 60 21.750 -23.725 -45.937 1.00 0.00 H new ATOM 0 HB1 ALA A 60 23.122 -21.751 -46.612 1.00 0.00 H new ATOM 0 HB2 ALA A 60 22.477 -22.614 -48.029 1.00 0.00 H new ATOM 0 HB3 ALA A 60 21.723 -21.093 -47.494 1.00 0.00 H new ATOM 945 N PRO A 61 21.854 -22.062 -43.931 1.00 0.00 N ATOM 946 CA PRO A 61 21.745 -21.236 -42.697 1.00 0.00 C ATOM 947 C PRO A 61 21.815 -19.706 -42.972 1.00 0.00 C ATOM 948 O PRO A 61 21.299 -18.905 -42.183 1.00 0.00 O ATOM 949 CB PRO A 61 22.960 -21.713 -41.830 1.00 0.00 C ATOM 950 CG PRO A 61 23.901 -22.363 -42.802 1.00 0.00 C ATOM 951 CD PRO A 61 23.015 -22.991 -43.855 1.00 0.00 C ATOM 0 HA PRO A 61 20.780 -21.370 -42.209 1.00 0.00 H new ATOM 0 HB2 PRO A 61 23.435 -20.874 -41.322 1.00 0.00 H new ATOM 0 HB3 PRO A 61 22.643 -22.415 -41.059 1.00 0.00 H new ATOM 0 HG2 PRO A 61 24.578 -21.632 -43.243 1.00 0.00 H new ATOM 0 HG3 PRO A 61 24.519 -23.113 -42.309 1.00 0.00 H new ATOM 0 HD2 PRO A 61 23.527 -23.073 -44.814 1.00 0.00 H new ATOM 0 HD3 PRO A 61 22.706 -23.997 -43.572 1.00 0.00 H new ATOM 959 N THR A 62 22.479 -19.312 -44.084 1.00 0.00 N ATOM 960 CA THR A 62 22.552 -17.892 -44.509 1.00 0.00 C ATOM 961 C THR A 62 21.366 -17.522 -45.432 1.00 0.00 C ATOM 962 O THR A 62 21.147 -16.342 -45.711 1.00 0.00 O ATOM 963 CB THR A 62 23.912 -17.550 -45.219 1.00 0.00 C ATOM 964 OG1 THR A 62 24.072 -16.121 -45.349 1.00 0.00 O ATOM 965 CG2 THR A 62 24.034 -18.196 -46.607 1.00 0.00 C ATOM 0 H THR A 62 22.972 -19.956 -44.703 1.00 0.00 H new ATOM 0 HA THR A 62 22.493 -17.295 -43.599 1.00 0.00 H new ATOM 0 HB THR A 62 24.699 -17.960 -44.587 1.00 0.00 H new ATOM 0 HG1 THR A 62 23.190 -15.696 -45.397 1.00 0.00 H new ATOM 0 HG21 THR A 62 24.992 -17.926 -47.051 1.00 0.00 H new ATOM 0 HG22 THR A 62 23.971 -19.280 -46.511 1.00 0.00 H new ATOM 0 HG23 THR A 62 23.225 -17.841 -47.246 1.00 0.00 H new ATOM 973 N GLY A 63 20.612 -18.536 -45.921 1.00 0.00 N ATOM 974 CA GLY A 63 19.484 -18.300 -46.840 1.00 0.00 C ATOM 975 C GLY A 63 19.848 -18.448 -48.324 1.00 0.00 C ATOM 976 O GLY A 63 18.953 -18.423 -49.179 1.00 0.00 O ATOM 0 H GLY A 63 20.767 -19.518 -45.693 1.00 0.00 H new ATOM 0 HA2 GLY A 63 18.682 -18.998 -46.602 1.00 0.00 H new ATOM 0 HA3 GLY A 63 19.094 -17.296 -46.670 1.00 0.00 H new ATOM 980 N GLU A 64 21.158 -18.601 -48.635 1.00 0.00 N ATOM 981 CA GLU A 64 21.633 -18.915 -50.002 1.00 0.00 C ATOM 982 C GLU A 64 21.365 -20.407 -50.282 1.00 0.00 C ATOM 983 O GLU A 64 22.255 -21.254 -50.156 1.00 0.00 O ATOM 984 CB GLU A 64 23.146 -18.562 -50.182 1.00 0.00 C ATOM 985 CG GLU A 64 23.715 -18.876 -51.585 1.00 0.00 C ATOM 986 CD GLU A 64 25.217 -18.570 -51.725 1.00 0.00 C ATOM 987 OE1 GLU A 64 25.578 -17.446 -52.139 1.00 0.00 O ATOM 988 OE2 GLU A 64 26.048 -19.452 -51.407 1.00 0.00 O ATOM 0 H GLU A 64 21.909 -18.511 -47.950 1.00 0.00 H new ATOM 0 HA GLU A 64 21.089 -18.305 -50.723 1.00 0.00 H new ATOM 0 HB2 GLU A 64 23.285 -17.501 -49.976 1.00 0.00 H new ATOM 0 HB3 GLU A 64 23.725 -19.109 -49.438 1.00 0.00 H new ATOM 0 HG2 GLU A 64 23.545 -19.929 -51.809 1.00 0.00 H new ATOM 0 HG3 GLU A 64 23.165 -18.299 -52.328 1.00 0.00 H new ATOM 995 N GLU A 65 20.095 -20.714 -50.594 1.00 0.00 N ATOM 996 CA GLU A 65 19.611 -22.093 -50.755 1.00 0.00 C ATOM 997 C GLU A 65 20.285 -22.772 -51.966 1.00 0.00 C ATOM 998 O GLU A 65 20.410 -22.182 -53.049 1.00 0.00 O ATOM 999 CB GLU A 65 18.065 -22.120 -50.885 1.00 0.00 C ATOM 1000 CG GLU A 65 17.506 -21.280 -52.048 1.00 0.00 C ATOM 1001 CD GLU A 65 15.979 -21.381 -52.190 1.00 0.00 C ATOM 1002 OE1 GLU A 65 15.492 -22.056 -53.123 1.00 0.00 O ATOM 1003 OE2 GLU A 65 15.261 -20.777 -51.372 1.00 0.00 O ATOM 0 H GLU A 65 19.373 -20.009 -50.742 1.00 0.00 H new ATOM 0 HA GLU A 65 19.882 -22.658 -49.863 1.00 0.00 H new ATOM 0 HB2 GLU A 65 17.742 -23.153 -51.012 1.00 0.00 H new ATOM 0 HB3 GLU A 65 17.629 -21.762 -49.953 1.00 0.00 H new ATOM 0 HG2 GLU A 65 17.782 -20.236 -51.899 1.00 0.00 H new ATOM 0 HG3 GLU A 65 17.973 -21.603 -52.978 1.00 0.00 H new ATOM 1010 N ILE A 66 20.724 -23.997 -51.737 1.00 0.00 N ATOM 1011 CA ILE A 66 21.482 -24.805 -52.683 1.00 0.00 C ATOM 1012 C ILE A 66 20.525 -25.672 -53.526 1.00 0.00 C ATOM 1013 O ILE A 66 19.758 -26.456 -52.970 1.00 0.00 O ATOM 1014 CB ILE A 66 22.473 -25.724 -51.897 1.00 0.00 C ATOM 1015 CG1 ILE A 66 23.388 -24.891 -50.927 1.00 0.00 C ATOM 1016 CG2 ILE A 66 23.290 -26.600 -52.861 1.00 0.00 C ATOM 1017 CD1 ILE A 66 24.211 -23.787 -51.560 1.00 0.00 C ATOM 0 H ILE A 66 20.557 -24.477 -50.853 1.00 0.00 H new ATOM 0 HA ILE A 66 22.041 -24.149 -53.350 1.00 0.00 H new ATOM 0 HB ILE A 66 21.886 -26.395 -51.269 1.00 0.00 H new ATOM 0 HG12 ILE A 66 22.756 -24.448 -50.158 1.00 0.00 H new ATOM 0 HG13 ILE A 66 24.068 -25.579 -50.424 1.00 0.00 H new ATOM 0 HG21 ILE A 66 23.972 -27.230 -52.290 1.00 0.00 H new ATOM 0 HG22 ILE A 66 22.615 -27.229 -53.442 1.00 0.00 H new ATOM 0 HG23 ILE A 66 23.863 -25.963 -53.535 1.00 0.00 H new ATOM 0 HD11 ILE A 66 24.799 -23.285 -50.792 1.00 0.00 H new ATOM 0 HD12 ILE A 66 24.879 -24.214 -52.308 1.00 0.00 H new ATOM 0 HD13 ILE A 66 23.547 -23.066 -52.037 1.00 0.00 H new ATOM 1029 N SER A 67 20.589 -25.523 -54.859 1.00 0.00 N ATOM 1030 CA SER A 67 19.781 -26.314 -55.814 1.00 0.00 C ATOM 1031 C SER A 67 20.551 -27.555 -56.338 1.00 0.00 C ATOM 1032 O SER A 67 19.934 -28.498 -56.851 1.00 0.00 O ATOM 1033 CB SER A 67 19.360 -25.399 -56.996 1.00 0.00 C ATOM 1034 OG SER A 67 20.437 -24.594 -57.452 1.00 0.00 O ATOM 0 H SER A 67 21.205 -24.848 -55.312 1.00 0.00 H new ATOM 0 HA SER A 67 18.898 -26.685 -55.294 1.00 0.00 H new ATOM 0 HB2 SER A 67 18.993 -26.014 -57.818 1.00 0.00 H new ATOM 0 HB3 SER A 67 18.535 -24.759 -56.684 1.00 0.00 H new ATOM 0 HG SER A 67 21.114 -25.162 -57.876 1.00 0.00 H new ATOM 1040 N ASN A 68 21.896 -27.533 -56.219 1.00 0.00 N ATOM 1041 CA ASN A 68 22.774 -28.573 -56.804 1.00 0.00 C ATOM 1042 C ASN A 68 24.067 -28.744 -55.984 1.00 0.00 C ATOM 1043 O ASN A 68 24.582 -27.779 -55.412 1.00 0.00 O ATOM 1044 CB ASN A 68 23.088 -28.245 -58.294 1.00 0.00 C ATOM 1045 CG ASN A 68 23.504 -26.789 -58.512 1.00 0.00 C ATOM 1046 OD1 ASN A 68 22.666 -25.930 -58.785 1.00 0.00 O ATOM 1047 ND2 ASN A 68 24.781 -26.492 -58.375 1.00 0.00 N ATOM 0 H ASN A 68 22.402 -26.801 -55.720 1.00 0.00 H new ATOM 0 HA ASN A 68 22.242 -29.524 -56.769 1.00 0.00 H new ATOM 0 HB2 ASN A 68 23.885 -28.901 -58.644 1.00 0.00 H new ATOM 0 HB3 ASN A 68 22.208 -28.460 -58.901 1.00 0.00 H new ATOM 0 HD21 ASN A 68 25.097 -25.530 -58.496 1.00 0.00 H new ATOM 0 HD22 ASN A 68 25.454 -27.225 -58.148 1.00 0.00 H new ATOM 1054 N ARG A 69 24.601 -29.977 -56.008 1.00 0.00 N ATOM 1055 CA ARG A 69 25.723 -30.439 -55.156 1.00 0.00 C ATOM 1056 C ARG A 69 26.996 -29.573 -55.264 1.00 0.00 C ATOM 1057 O ARG A 69 27.736 -29.469 -54.291 1.00 0.00 O ATOM 1058 CB ARG A 69 26.059 -31.905 -55.510 1.00 0.00 C ATOM 1059 CG ARG A 69 24.986 -32.919 -55.077 1.00 0.00 C ATOM 1060 CD ARG A 69 25.306 -34.354 -55.509 1.00 0.00 C ATOM 1061 NE ARG A 69 26.577 -34.840 -54.932 1.00 0.00 N ATOM 1062 CZ ARG A 69 26.693 -35.685 -53.892 1.00 0.00 C ATOM 1063 NH1 ARG A 69 25.612 -36.214 -53.328 1.00 0.00 N ATOM 1064 NH2 ARG A 69 27.889 -36.008 -53.444 1.00 0.00 N ATOM 0 H ARG A 69 24.258 -30.704 -56.636 1.00 0.00 H new ATOM 0 HA ARG A 69 25.386 -30.349 -54.123 1.00 0.00 H new ATOM 0 HB2 ARG A 69 26.203 -31.983 -56.588 1.00 0.00 H new ATOM 0 HB3 ARG A 69 27.006 -32.172 -55.041 1.00 0.00 H new ATOM 0 HG2 ARG A 69 24.881 -32.887 -53.993 1.00 0.00 H new ATOM 0 HG3 ARG A 69 24.025 -32.625 -55.499 1.00 0.00 H new ATOM 0 HD2 ARG A 69 24.494 -35.014 -55.203 1.00 0.00 H new ATOM 0 HD3 ARG A 69 25.361 -34.401 -56.597 1.00 0.00 H new ATOM 0 HE ARG A 69 27.441 -34.506 -55.359 1.00 0.00 H new ATOM 0 HH11 ARG A 69 24.685 -35.980 -53.683 1.00 0.00 H new ATOM 0 HH12 ARG A 69 25.709 -36.854 -52.540 1.00 0.00 H new ATOM 0 HH21 ARG A 69 28.722 -35.618 -53.886 1.00 0.00 H new ATOM 0 HH22 ARG A 69 27.982 -36.648 -52.656 1.00 0.00 H new ATOM 1078 N LYS A 70 27.232 -28.956 -56.441 1.00 0.00 N ATOM 1079 CA LYS A 70 28.411 -28.091 -56.671 1.00 0.00 C ATOM 1080 C LYS A 70 28.394 -26.934 -55.651 1.00 0.00 C ATOM 1081 O LYS A 70 29.386 -26.699 -54.952 1.00 0.00 O ATOM 1082 CB LYS A 70 28.416 -27.551 -58.140 1.00 0.00 C ATOM 1083 CG LYS A 70 29.779 -27.014 -58.670 1.00 0.00 C ATOM 1084 CD LYS A 70 30.224 -25.656 -58.060 1.00 0.00 C ATOM 1085 CE LYS A 70 31.666 -25.281 -58.434 1.00 0.00 C ATOM 1086 NZ LYS A 70 32.639 -26.308 -57.962 1.00 0.00 N ATOM 0 H LYS A 70 26.619 -29.041 -57.251 1.00 0.00 H new ATOM 0 HA LYS A 70 29.324 -28.671 -56.533 1.00 0.00 H new ATOM 0 HB2 LYS A 70 28.083 -28.351 -58.801 1.00 0.00 H new ATOM 0 HB3 LYS A 70 27.680 -26.750 -58.213 1.00 0.00 H new ATOM 0 HG2 LYS A 70 30.550 -27.757 -58.468 1.00 0.00 H new ATOM 0 HG3 LYS A 70 29.715 -26.907 -59.753 1.00 0.00 H new ATOM 0 HD2 LYS A 70 29.549 -24.871 -58.401 1.00 0.00 H new ATOM 0 HD3 LYS A 70 30.135 -25.704 -56.975 1.00 0.00 H new ATOM 0 HE2 LYS A 70 31.746 -25.173 -59.516 1.00 0.00 H new ATOM 0 HE3 LYS A 70 31.916 -24.314 -57.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 33.596 -25.900 -57.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 32.382 -26.615 -57.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 32.619 -27.126 -58.604 1.00 0.00 H new ATOM 1100 N GLN A 71 27.226 -26.256 -55.570 1.00 0.00 N ATOM 1101 CA GLN A 71 27.015 -25.114 -54.657 1.00 0.00 C ATOM 1102 C GLN A 71 27.138 -25.550 -53.190 1.00 0.00 C ATOM 1103 O GLN A 71 27.634 -24.795 -52.364 1.00 0.00 O ATOM 1104 CB GLN A 71 25.636 -24.456 -54.878 1.00 0.00 C ATOM 1105 CG GLN A 71 25.390 -23.896 -56.277 1.00 0.00 C ATOM 1106 CD GLN A 71 24.014 -23.240 -56.388 1.00 0.00 C ATOM 1107 OE1 GLN A 71 23.026 -23.898 -56.693 1.00 0.00 O ATOM 1108 NE2 GLN A 71 23.944 -21.942 -56.126 1.00 0.00 N ATOM 0 H GLN A 71 26.408 -26.486 -56.134 1.00 0.00 H new ATOM 0 HA GLN A 71 27.792 -24.383 -54.882 1.00 0.00 H new ATOM 0 HB2 GLN A 71 24.863 -25.192 -54.659 1.00 0.00 H new ATOM 0 HB3 GLN A 71 25.519 -23.647 -54.156 1.00 0.00 H new ATOM 0 HG2 GLN A 71 26.162 -23.165 -56.518 1.00 0.00 H new ATOM 0 HG3 GLN A 71 25.471 -24.699 -57.010 1.00 0.00 H new ATOM 0 HE21 GLN A 71 24.787 -21.426 -55.875 1.00 0.00 H new ATOM 0 HE22 GLN A 71 23.047 -21.459 -56.175 1.00 0.00 H new ATOM 1117 N LEU A 72 26.682 -26.786 -52.898 1.00 0.00 N ATOM 1118 CA LEU A 72 26.740 -27.380 -51.540 1.00 0.00 C ATOM 1119 C LEU A 72 28.221 -27.469 -51.086 1.00 0.00 C ATOM 1120 O LEU A 72 28.582 -26.958 -50.029 1.00 0.00 O ATOM 1121 CB LEU A 72 26.064 -28.804 -51.539 1.00 0.00 C ATOM 1122 CG LEU A 72 25.394 -29.314 -50.211 1.00 0.00 C ATOM 1123 CD1 LEU A 72 26.342 -29.289 -49.005 1.00 0.00 C ATOM 1124 CD2 LEU A 72 24.088 -28.557 -49.907 1.00 0.00 C ATOM 0 H LEU A 72 26.263 -27.402 -53.594 1.00 0.00 H new ATOM 0 HA LEU A 72 26.192 -26.749 -50.840 1.00 0.00 H new ATOM 0 HB2 LEU A 72 25.302 -28.810 -52.319 1.00 0.00 H new ATOM 0 HB3 LEU A 72 26.822 -29.531 -51.829 1.00 0.00 H new ATOM 0 HG LEU A 72 25.148 -30.361 -50.386 1.00 0.00 H new ATOM 0 HD11 LEU A 72 25.817 -29.653 -48.122 1.00 0.00 H new ATOM 0 HD12 LEU A 72 27.202 -29.928 -49.205 1.00 0.00 H new ATOM 0 HD13 LEU A 72 26.681 -28.268 -48.830 1.00 0.00 H new ATOM 0 HD21 LEU A 72 23.654 -28.937 -48.982 1.00 0.00 H new ATOM 0 HD22 LEU A 72 24.301 -27.494 -49.798 1.00 0.00 H new ATOM 0 HD23 LEU A 72 23.383 -28.704 -50.726 1.00 0.00 H new ATOM 1136 N GLU A 73 29.055 -28.078 -51.944 1.00 0.00 N ATOM 1137 CA GLU A 73 30.480 -28.339 -51.660 1.00 0.00 C ATOM 1138 C GLU A 73 31.271 -27.025 -51.473 1.00 0.00 C ATOM 1139 O GLU A 73 31.988 -26.860 -50.475 1.00 0.00 O ATOM 1140 CB GLU A 73 31.083 -29.157 -52.818 1.00 0.00 C ATOM 1141 CG GLU A 73 30.438 -30.534 -53.042 1.00 0.00 C ATOM 1142 CD GLU A 73 31.052 -31.253 -54.250 1.00 0.00 C ATOM 1143 OE1 GLU A 73 30.637 -30.972 -55.394 1.00 0.00 O ATOM 1144 OE2 GLU A 73 31.980 -32.071 -54.064 1.00 0.00 O ATOM 0 H GLU A 73 28.759 -28.407 -52.863 1.00 0.00 H new ATOM 0 HA GLU A 73 30.550 -28.901 -50.729 1.00 0.00 H new ATOM 0 HB2 GLU A 73 30.996 -28.577 -53.737 1.00 0.00 H new ATOM 0 HB3 GLU A 73 32.147 -29.297 -52.629 1.00 0.00 H new ATOM 0 HG2 GLU A 73 30.566 -31.146 -52.149 1.00 0.00 H new ATOM 0 HG3 GLU A 73 29.366 -30.414 -53.195 1.00 0.00 H new ATOM 1151 N GLN A 74 31.109 -26.092 -52.435 1.00 0.00 N ATOM 1152 CA GLN A 74 31.815 -24.795 -52.429 1.00 0.00 C ATOM 1153 C GLN A 74 31.346 -23.907 -51.254 1.00 0.00 C ATOM 1154 O GLN A 74 32.093 -23.038 -50.801 1.00 0.00 O ATOM 1155 CB GLN A 74 31.701 -24.069 -53.819 1.00 0.00 C ATOM 1156 CG GLN A 74 30.292 -23.610 -54.292 1.00 0.00 C ATOM 1157 CD GLN A 74 29.798 -22.264 -53.729 1.00 0.00 C ATOM 1158 OE1 GLN A 74 29.106 -22.209 -52.718 1.00 0.00 O ATOM 1159 NE2 GLN A 74 30.179 -21.172 -54.374 1.00 0.00 N ATOM 0 H GLN A 74 30.488 -26.217 -53.234 1.00 0.00 H new ATOM 0 HA GLN A 74 32.875 -24.991 -52.270 1.00 0.00 H new ATOM 0 HB2 GLN A 74 32.346 -23.191 -53.790 1.00 0.00 H new ATOM 0 HB3 GLN A 74 32.106 -24.737 -54.579 1.00 0.00 H new ATOM 0 HG2 GLN A 74 30.298 -23.546 -55.380 1.00 0.00 H new ATOM 0 HG3 GLN A 74 29.571 -24.381 -54.022 1.00 0.00 H new ATOM 0 HE21 GLN A 74 30.755 -21.250 -55.212 1.00 0.00 H new ATOM 0 HE22 GLN A 74 29.897 -20.253 -54.032 1.00 0.00 H new ATOM 1168 N TYR A 75 30.105 -24.152 -50.775 1.00 0.00 N ATOM 1169 CA TYR A 75 29.531 -23.475 -49.594 1.00 0.00 C ATOM 1170 C TYR A 75 30.266 -23.938 -48.327 1.00 0.00 C ATOM 1171 O TYR A 75 30.660 -23.114 -47.506 1.00 0.00 O ATOM 1172 CB TYR A 75 28.010 -23.787 -49.485 1.00 0.00 C ATOM 1173 CG TYR A 75 27.248 -22.999 -48.412 1.00 0.00 C ATOM 1174 CD1 TYR A 75 26.456 -21.901 -48.756 1.00 0.00 C ATOM 1175 CD2 TYR A 75 27.297 -23.368 -47.065 1.00 0.00 C ATOM 1176 CE1 TYR A 75 25.757 -21.200 -47.800 1.00 0.00 C ATOM 1177 CE2 TYR A 75 26.605 -22.667 -46.107 1.00 0.00 C ATOM 1178 CZ TYR A 75 25.832 -21.590 -46.476 1.00 0.00 C ATOM 1179 OH TYR A 75 25.122 -20.898 -45.518 1.00 0.00 O ATOM 0 H TYR A 75 29.472 -24.829 -51.201 1.00 0.00 H new ATOM 0 HA TYR A 75 29.655 -22.397 -49.701 1.00 0.00 H new ATOM 0 HB2 TYR A 75 27.547 -23.591 -50.452 1.00 0.00 H new ATOM 0 HB3 TYR A 75 27.889 -24.851 -49.283 1.00 0.00 H new ATOM 0 HD1 TYR A 75 26.391 -21.597 -49.790 1.00 0.00 H new ATOM 0 HD2 TYR A 75 27.891 -24.221 -46.771 1.00 0.00 H new ATOM 0 HE1 TYR A 75 25.153 -20.350 -48.083 1.00 0.00 H new ATOM 0 HE2 TYR A 75 26.667 -22.960 -45.069 1.00 0.00 H new ATOM 0 HH TYR A 75 25.742 -20.528 -44.855 1.00 0.00 H new ATOM 1189 N LEU A 76 30.444 -25.267 -48.200 1.00 0.00 N ATOM 1190 CA LEU A 76 31.020 -25.897 -46.990 1.00 0.00 C ATOM 1191 C LEU A 76 32.497 -25.505 -46.788 1.00 0.00 C ATOM 1192 O LEU A 76 32.913 -25.189 -45.670 1.00 0.00 O ATOM 1193 CB LEU A 76 30.909 -27.435 -47.071 1.00 0.00 C ATOM 1194 CG LEU A 76 29.475 -28.025 -47.165 1.00 0.00 C ATOM 1195 CD1 LEU A 76 29.534 -29.551 -47.342 1.00 0.00 C ATOM 1196 CD2 LEU A 76 28.605 -27.617 -45.951 1.00 0.00 C ATOM 0 H LEU A 76 30.194 -25.935 -48.929 1.00 0.00 H new ATOM 0 HA LEU A 76 30.446 -25.532 -46.138 1.00 0.00 H new ATOM 0 HB2 LEU A 76 31.474 -27.772 -47.940 1.00 0.00 H new ATOM 0 HB3 LEU A 76 31.395 -27.858 -46.192 1.00 0.00 H new ATOM 0 HG LEU A 76 28.992 -27.603 -48.046 1.00 0.00 H new ATOM 0 HD11 LEU A 76 28.521 -29.949 -47.406 1.00 0.00 H new ATOM 0 HD12 LEU A 76 30.077 -29.791 -48.256 1.00 0.00 H new ATOM 0 HD13 LEU A 76 30.046 -29.997 -46.489 1.00 0.00 H new ATOM 0 HD21 LEU A 76 27.610 -28.050 -46.055 1.00 0.00 H new ATOM 0 HD22 LEU A 76 29.066 -27.983 -45.034 1.00 0.00 H new ATOM 0 HD23 LEU A 76 28.526 -26.531 -45.909 1.00 0.00 H new ATOM 1208 N LYS A 77 33.285 -25.545 -47.880 1.00 0.00 N ATOM 1209 CA LYS A 77 34.718 -25.176 -47.837 1.00 0.00 C ATOM 1210 C LYS A 77 34.873 -23.656 -47.602 1.00 0.00 C ATOM 1211 O LYS A 77 35.887 -23.202 -47.063 1.00 0.00 O ATOM 1212 CB LYS A 77 35.452 -25.682 -49.131 1.00 0.00 C ATOM 1213 CG LYS A 77 35.001 -25.053 -50.482 1.00 0.00 C ATOM 1214 CD LYS A 77 35.728 -23.723 -50.817 1.00 0.00 C ATOM 1215 CE LYS A 77 35.299 -23.110 -52.157 1.00 0.00 C ATOM 1216 NZ LYS A 77 35.976 -21.810 -52.401 1.00 0.00 N ATOM 0 H LYS A 77 32.956 -25.829 -48.803 1.00 0.00 H new ATOM 0 HA LYS A 77 35.200 -25.672 -46.994 1.00 0.00 H new ATOM 0 HB2 LYS A 77 36.520 -25.499 -49.010 1.00 0.00 H new ATOM 0 HB3 LYS A 77 35.319 -26.762 -49.197 1.00 0.00 H new ATOM 0 HG2 LYS A 77 35.180 -25.768 -51.285 1.00 0.00 H new ATOM 0 HG3 LYS A 77 33.927 -24.873 -50.449 1.00 0.00 H new ATOM 0 HD2 LYS A 77 35.538 -23.004 -50.020 1.00 0.00 H new ATOM 0 HD3 LYS A 77 36.803 -23.901 -50.836 1.00 0.00 H new ATOM 0 HE2 LYS A 77 35.533 -23.801 -52.966 1.00 0.00 H new ATOM 0 HE3 LYS A 77 34.219 -22.966 -52.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 35.664 -21.422 -53.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 35.732 -21.144 -51.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 37.006 -21.953 -52.419 1.00 0.00 H new ATOM 1230 N SER A 78 33.843 -22.877 -48.006 1.00 0.00 N ATOM 1231 CA SER A 78 33.789 -21.424 -47.760 1.00 0.00 C ATOM 1232 C SER A 78 33.337 -21.124 -46.317 1.00 0.00 C ATOM 1233 O SER A 78 33.722 -20.108 -45.734 1.00 0.00 O ATOM 1234 CB SER A 78 32.826 -20.760 -48.778 1.00 0.00 C ATOM 1235 OG SER A 78 32.716 -19.357 -48.578 1.00 0.00 O ATOM 0 H SER A 78 33.032 -23.239 -48.508 1.00 0.00 H new ATOM 0 HA SER A 78 34.789 -21.011 -47.889 1.00 0.00 H new ATOM 0 HB2 SER A 78 33.180 -20.954 -49.790 1.00 0.00 H new ATOM 0 HB3 SER A 78 31.840 -21.216 -48.693 1.00 0.00 H new ATOM 0 HG SER A 78 32.101 -18.979 -49.241 1.00 0.00 H new ATOM 1241 N HIS A 79 32.523 -22.028 -45.749 1.00 0.00 N ATOM 1242 CA HIS A 79 31.863 -21.825 -44.449 1.00 0.00 C ATOM 1243 C HIS A 79 32.049 -23.084 -43.572 1.00 0.00 C ATOM 1244 O HIS A 79 31.228 -24.014 -43.646 1.00 0.00 O ATOM 1245 CB HIS A 79 30.354 -21.523 -44.664 1.00 0.00 C ATOM 1246 CG HIS A 79 30.068 -20.334 -45.547 1.00 0.00 C ATOM 1247 ND1 HIS A 79 29.642 -20.454 -46.854 1.00 0.00 N ATOM 1248 CD2 HIS A 79 30.168 -19.005 -45.309 1.00 0.00 C ATOM 1249 CE1 HIS A 79 29.496 -19.253 -47.380 1.00 0.00 C ATOM 1250 NE2 HIS A 79 29.807 -18.354 -46.465 1.00 0.00 N ATOM 0 H HIS A 79 32.303 -22.925 -46.181 1.00 0.00 H new ATOM 0 HA HIS A 79 32.315 -20.974 -43.939 1.00 0.00 H new ATOM 0 HB2 HIS A 79 29.880 -22.403 -45.098 1.00 0.00 H new ATOM 0 HB3 HIS A 79 29.889 -21.357 -43.692 1.00 0.00 H new ATOM 0 HD1 HIS A 79 29.467 -21.335 -47.338 1.00 0.00 H new ATOM 0 HD2 HIS A 79 30.475 -18.542 -44.383 1.00 0.00 H new ATOM 0 HE1 HIS A 79 29.176 -19.041 -48.389 1.00 0.00 H new ATOM 1259 N PRO A 80 33.162 -23.158 -42.760 1.00 0.00 N ATOM 1260 CA PRO A 80 33.467 -24.350 -41.921 1.00 0.00 C ATOM 1261 C PRO A 80 32.465 -24.530 -40.759 1.00 0.00 C ATOM 1262 O PRO A 80 31.877 -23.557 -40.274 1.00 0.00 O ATOM 1263 CB PRO A 80 34.900 -24.060 -41.401 1.00 0.00 C ATOM 1264 CG PRO A 80 35.005 -22.565 -41.398 1.00 0.00 C ATOM 1265 CD PRO A 80 34.195 -22.091 -42.592 1.00 0.00 C ATOM 0 HA PRO A 80 33.392 -25.282 -42.482 1.00 0.00 H new ATOM 0 HB2 PRO A 80 35.050 -24.470 -40.402 1.00 0.00 H new ATOM 0 HB3 PRO A 80 35.655 -24.509 -42.047 1.00 0.00 H new ATOM 0 HG2 PRO A 80 34.614 -22.147 -40.470 1.00 0.00 H new ATOM 0 HG3 PRO A 80 36.044 -22.246 -41.479 1.00 0.00 H new ATOM 0 HD2 PRO A 80 33.740 -21.118 -42.407 1.00 0.00 H new ATOM 0 HD3 PRO A 80 34.815 -21.989 -43.483 1.00 0.00 H new ATOM 1273 N GLY A 81 32.262 -25.794 -40.341 1.00 0.00 N ATOM 1274 CA GLY A 81 31.337 -26.119 -39.245 1.00 0.00 C ATOM 1275 C GLY A 81 29.941 -26.509 -39.735 1.00 0.00 C ATOM 1276 O GLY A 81 29.190 -27.164 -39.006 1.00 0.00 O ATOM 0 H GLY A 81 32.728 -26.605 -40.748 1.00 0.00 H new ATOM 0 HA2 GLY A 81 31.752 -26.938 -38.658 1.00 0.00 H new ATOM 0 HA3 GLY A 81 31.255 -25.260 -38.579 1.00 0.00 H new ATOM 1280 N ASN A 82 29.580 -26.070 -40.960 1.00 0.00 N ATOM 1281 CA ASN A 82 28.324 -26.489 -41.625 1.00 0.00 C ATOM 1282 C ASN A 82 28.401 -27.991 -41.994 1.00 0.00 C ATOM 1283 O ASN A 82 29.415 -28.421 -42.556 1.00 0.00 O ATOM 1284 CB ASN A 82 28.055 -25.629 -42.897 1.00 0.00 C ATOM 1285 CG ASN A 82 27.641 -24.184 -42.602 1.00 0.00 C ATOM 1286 OD1 ASN A 82 28.033 -23.264 -43.306 1.00 0.00 O ATOM 1287 ND2 ASN A 82 26.803 -23.978 -41.596 1.00 0.00 N ATOM 0 H ASN A 82 30.143 -25.422 -41.512 1.00 0.00 H new ATOM 0 HA ASN A 82 27.496 -26.334 -40.933 1.00 0.00 H new ATOM 0 HB2 ASN A 82 28.955 -25.619 -43.512 1.00 0.00 H new ATOM 0 HB3 ASN A 82 27.272 -26.107 -43.486 1.00 0.00 H new ATOM 0 HD21 ASN A 82 26.470 -23.035 -41.394 1.00 0.00 H new ATOM 0 HD22 ASN A 82 26.491 -24.762 -41.024 1.00 0.00 H new ATOM 1294 N PRO A 83 27.343 -28.812 -41.661 1.00 0.00 N ATOM 1295 CA PRO A 83 27.357 -30.284 -41.876 1.00 0.00 C ATOM 1296 C PRO A 83 27.645 -30.671 -43.348 1.00 0.00 C ATOM 1297 O PRO A 83 27.173 -30.007 -44.278 1.00 0.00 O ATOM 1298 CB PRO A 83 25.948 -30.749 -41.395 1.00 0.00 C ATOM 1299 CG PRO A 83 25.113 -29.506 -41.370 1.00 0.00 C ATOM 1300 CD PRO A 83 26.064 -28.373 -41.048 1.00 0.00 C ATOM 0 HA PRO A 83 28.161 -30.772 -41.326 1.00 0.00 H new ATOM 0 HB2 PRO A 83 25.527 -31.493 -42.071 1.00 0.00 H new ATOM 0 HB3 PRO A 83 26.000 -31.208 -40.408 1.00 0.00 H new ATOM 0 HG2 PRO A 83 24.624 -29.344 -42.331 1.00 0.00 H new ATOM 0 HG3 PRO A 83 24.325 -29.580 -40.620 1.00 0.00 H new ATOM 0 HD2 PRO A 83 25.720 -27.428 -41.469 1.00 0.00 H new ATOM 0 HD3 PRO A 83 26.164 -28.225 -39.973 1.00 0.00 H new ATOM 1308 N ALA A 84 28.429 -31.751 -43.520 1.00 0.00 N ATOM 1309 CA ALA A 84 28.983 -32.168 -44.823 1.00 0.00 C ATOM 1310 C ALA A 84 27.900 -32.628 -45.811 1.00 0.00 C ATOM 1311 O ALA A 84 26.801 -32.999 -45.420 1.00 0.00 O ATOM 1312 CB ALA A 84 30.032 -33.279 -44.624 1.00 0.00 C ATOM 0 H ALA A 84 28.699 -32.365 -42.752 1.00 0.00 H new ATOM 0 HA ALA A 84 29.458 -31.290 -45.262 1.00 0.00 H new ATOM 0 HB1 ALA A 84 30.433 -33.578 -45.592 1.00 0.00 H new ATOM 0 HB2 ALA A 84 30.841 -32.907 -43.995 1.00 0.00 H new ATOM 0 HB3 ALA A 84 29.565 -34.139 -44.144 1.00 0.00 H new ATOM 1318 N ILE A 85 28.249 -32.610 -47.103 1.00 0.00 N ATOM 1319 CA ILE A 85 27.379 -33.089 -48.198 1.00 0.00 C ATOM 1320 C ILE A 85 27.194 -34.627 -48.114 1.00 0.00 C ATOM 1321 O ILE A 85 26.218 -35.179 -48.639 1.00 0.00 O ATOM 1322 CB ILE A 85 27.964 -32.649 -49.595 1.00 0.00 C ATOM 1323 CG1 ILE A 85 26.978 -32.988 -50.761 1.00 0.00 C ATOM 1324 CG2 ILE A 85 29.375 -33.243 -49.844 1.00 0.00 C ATOM 1325 CD1 ILE A 85 27.424 -32.504 -52.127 1.00 0.00 C ATOM 0 H ILE A 85 29.151 -32.260 -47.427 1.00 0.00 H new ATOM 0 HA ILE A 85 26.394 -32.634 -48.091 1.00 0.00 H new ATOM 0 HB ILE A 85 28.077 -31.565 -49.570 1.00 0.00 H new ATOM 0 HG12 ILE A 85 26.841 -34.069 -50.800 1.00 0.00 H new ATOM 0 HG13 ILE A 85 26.005 -32.551 -50.535 1.00 0.00 H new ATOM 0 HG21 ILE A 85 29.741 -32.915 -50.817 1.00 0.00 H new ATOM 0 HG22 ILE A 85 30.057 -32.900 -49.066 1.00 0.00 H new ATOM 0 HG23 ILE A 85 29.320 -34.331 -49.825 1.00 0.00 H new ATOM 0 HD11 ILE A 85 26.680 -32.783 -52.873 1.00 0.00 H new ATOM 0 HD12 ILE A 85 27.533 -31.420 -52.111 1.00 0.00 H new ATOM 0 HD13 ILE A 85 28.381 -32.961 -52.380 1.00 0.00 H new ATOM 1337 N ALA A 86 28.135 -35.291 -47.409 1.00 0.00 N ATOM 1338 CA ALA A 86 28.146 -36.754 -47.200 1.00 0.00 C ATOM 1339 C ALA A 86 26.923 -37.237 -46.391 1.00 0.00 C ATOM 1340 O ALA A 86 26.381 -38.312 -46.653 1.00 0.00 O ATOM 1341 CB ALA A 86 29.454 -37.156 -46.494 1.00 0.00 C ATOM 0 H ALA A 86 28.920 -34.818 -46.962 1.00 0.00 H new ATOM 0 HA ALA A 86 28.088 -37.237 -48.176 1.00 0.00 H new ATOM 0 HB1 ALA A 86 29.466 -38.235 -46.338 1.00 0.00 H new ATOM 0 HB2 ALA A 86 30.304 -36.869 -47.113 1.00 0.00 H new ATOM 0 HB3 ALA A 86 29.518 -36.649 -45.531 1.00 0.00 H new ATOM 1347 N GLU A 87 26.501 -36.419 -45.411 1.00 0.00 N ATOM 1348 CA GLU A 87 25.331 -36.713 -44.548 1.00 0.00 C ATOM 1349 C GLU A 87 24.034 -36.094 -45.131 1.00 0.00 C ATOM 1350 O GLU A 87 22.951 -36.240 -44.553 1.00 0.00 O ATOM 1351 CB GLU A 87 25.615 -36.197 -43.111 1.00 0.00 C ATOM 1352 CG GLU A 87 26.004 -34.711 -43.035 1.00 0.00 C ATOM 1353 CD GLU A 87 26.620 -34.314 -41.689 1.00 0.00 C ATOM 1354 OE1 GLU A 87 25.886 -34.242 -40.683 1.00 0.00 O ATOM 1355 OE2 GLU A 87 27.854 -34.073 -41.616 1.00 0.00 O ATOM 0 H GLU A 87 26.958 -35.534 -45.191 1.00 0.00 H new ATOM 0 HA GLU A 87 25.174 -37.791 -44.510 1.00 0.00 H new ATOM 0 HB2 GLU A 87 24.729 -36.360 -42.498 1.00 0.00 H new ATOM 0 HB3 GLU A 87 26.417 -36.793 -42.676 1.00 0.00 H new ATOM 0 HG2 GLU A 87 26.713 -34.487 -43.832 1.00 0.00 H new ATOM 0 HG3 GLU A 87 25.119 -34.101 -43.216 1.00 0.00 H new ATOM 1362 N PHE A 88 24.169 -35.386 -46.268 1.00 0.00 N ATOM 1363 CA PHE A 88 23.041 -34.761 -46.989 1.00 0.00 C ATOM 1364 C PHE A 88 22.527 -35.715 -48.085 1.00 0.00 C ATOM 1365 O PHE A 88 23.235 -35.983 -49.064 1.00 0.00 O ATOM 1366 CB PHE A 88 23.484 -33.401 -47.625 1.00 0.00 C ATOM 1367 CG PHE A 88 23.675 -32.233 -46.652 1.00 0.00 C ATOM 1368 CD1 PHE A 88 23.695 -30.931 -47.130 1.00 0.00 C ATOM 1369 CD2 PHE A 88 23.803 -32.422 -45.277 1.00 0.00 C ATOM 1370 CE1 PHE A 88 23.869 -29.862 -46.282 1.00 0.00 C ATOM 1371 CE2 PHE A 88 23.980 -31.349 -44.432 1.00 0.00 C ATOM 1372 CZ PHE A 88 23.996 -30.067 -44.936 1.00 0.00 C ATOM 0 H PHE A 88 25.071 -35.230 -46.717 1.00 0.00 H new ATOM 0 HA PHE A 88 22.237 -34.566 -46.279 1.00 0.00 H new ATOM 0 HB2 PHE A 88 24.421 -33.561 -48.158 1.00 0.00 H new ATOM 0 HB3 PHE A 88 22.741 -33.111 -48.368 1.00 0.00 H new ATOM 0 HD1 PHE A 88 23.572 -30.753 -48.188 1.00 0.00 H new ATOM 0 HD2 PHE A 88 23.763 -33.421 -44.870 1.00 0.00 H new ATOM 0 HE1 PHE A 88 23.905 -28.859 -46.680 1.00 0.00 H new ATOM 0 HE2 PHE A 88 24.107 -31.513 -43.372 1.00 0.00 H new ATOM 0 HZ PHE A 88 24.109 -29.225 -44.269 1.00 0.00 H new ATOM 1382 N ASP A 89 21.301 -36.225 -47.905 1.00 0.00 N ATOM 1383 CA ASP A 89 20.674 -37.160 -48.858 1.00 0.00 C ATOM 1384 C ASP A 89 19.946 -36.378 -49.972 1.00 0.00 C ATOM 1385 O ASP A 89 18.999 -35.624 -49.719 1.00 0.00 O ATOM 1386 CB ASP A 89 19.707 -38.152 -48.132 1.00 0.00 C ATOM 1387 CG ASP A 89 18.477 -37.479 -47.505 1.00 0.00 C ATOM 1388 OD1 ASP A 89 18.656 -36.617 -46.613 1.00 0.00 O ATOM 1389 OD2 ASP A 89 17.332 -37.762 -47.935 1.00 0.00 O ATOM 0 H ASP A 89 20.716 -36.004 -47.099 1.00 0.00 H new ATOM 0 HA ASP A 89 21.460 -37.759 -49.318 1.00 0.00 H new ATOM 0 HB2 ASP A 89 19.372 -38.905 -48.846 1.00 0.00 H new ATOM 0 HB3 ASP A 89 20.259 -38.676 -47.352 1.00 0.00 H new ATOM 1394 N TRP A 90 20.441 -36.525 -51.205 1.00 0.00 N ATOM 1395 CA TRP A 90 19.791 -35.982 -52.418 1.00 0.00 C ATOM 1396 C TRP A 90 18.893 -37.064 -53.056 1.00 0.00 C ATOM 1397 O TRP A 90 17.948 -36.750 -53.789 1.00 0.00 O ATOM 1398 CB TRP A 90 20.870 -35.483 -53.417 1.00 0.00 C ATOM 1399 CG TRP A 90 21.718 -34.342 -52.873 1.00 0.00 C ATOM 1400 CD1 TRP A 90 22.785 -34.439 -52.010 1.00 0.00 C ATOM 1401 CD2 TRP A 90 21.563 -32.937 -53.155 1.00 0.00 C ATOM 1402 NE1 TRP A 90 23.292 -33.194 -51.748 1.00 0.00 N ATOM 1403 CE2 TRP A 90 22.560 -32.256 -52.430 1.00 0.00 C ATOM 1404 CE3 TRP A 90 20.673 -32.191 -53.941 1.00 0.00 C ATOM 1405 CZ2 TRP A 90 22.701 -30.873 -52.486 1.00 0.00 C ATOM 1406 CZ3 TRP A 90 20.811 -30.815 -53.989 1.00 0.00 C ATOM 1407 CH2 TRP A 90 21.816 -30.167 -53.258 1.00 0.00 C ATOM 0 H TRP A 90 21.308 -37.026 -51.398 1.00 0.00 H new ATOM 0 HA TRP A 90 19.162 -35.133 -52.149 1.00 0.00 H new ATOM 0 HB2 TRP A 90 21.522 -36.316 -53.682 1.00 0.00 H new ATOM 0 HB3 TRP A 90 20.381 -35.157 -54.335 1.00 0.00 H new ATOM 0 HD1 TRP A 90 23.167 -35.362 -51.599 1.00 0.00 H new ATOM 0 HE1 TRP A 90 24.088 -32.996 -51.142 1.00 0.00 H new ATOM 0 HE3 TRP A 90 19.891 -32.683 -54.501 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 23.484 -30.371 -51.938 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 20.135 -30.233 -54.598 1.00 0.00 H new ATOM 0 HH2 TRP A 90 21.894 -29.091 -53.304 1.00 0.00 H new ATOM 1418 N THR A 91 19.166 -38.343 -52.705 1.00 0.00 N ATOM 1419 CA THR A 91 18.478 -39.540 -53.248 1.00 0.00 C ATOM 1420 C THR A 91 17.037 -39.710 -52.685 1.00 0.00 C ATOM 1421 O THR A 91 16.373 -40.716 -52.965 1.00 0.00 O ATOM 1422 CB THR A 91 19.335 -40.830 -52.952 1.00 0.00 C ATOM 1423 OG1 THR A 91 18.792 -41.976 -53.627 1.00 0.00 O ATOM 1424 CG2 THR A 91 19.447 -41.134 -51.443 1.00 0.00 C ATOM 0 H THR A 91 19.886 -38.577 -52.022 1.00 0.00 H new ATOM 0 HA THR A 91 18.382 -39.398 -54.324 1.00 0.00 H new ATOM 0 HB THR A 91 20.336 -40.622 -53.330 1.00 0.00 H new ATOM 0 HG1 THR A 91 17.818 -41.886 -53.692 1.00 0.00 H new ATOM 0 HG21 THR A 91 20.047 -42.032 -51.296 1.00 0.00 H new ATOM 0 HG22 THR A 91 19.922 -40.293 -50.937 1.00 0.00 H new ATOM 0 HG23 THR A 91 18.451 -41.292 -51.029 1.00 0.00 H new