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 77 LYS NZ :NH3+ 176:sc= 0.13 (180deg=0) USER MOD Set 1.2: A 78 SER OG : rot 95:sc= 0.572 USER MOD Set 2.1: A 75 TYR OH : rot -145:sc= -0.165 USER MOD Set 2.2: A 82 ASN : amide:sc= -0.389 X(o=-0.55,f=-0.9) USER MOD Set 3.1: A 71 GLN : amide:sc= -0.075 K(o=-0.078,f=-1) USER MOD Set 3.2: A 74 GLN : amide:sc=-0.00302 K(o=-0.078,f=-1.5) USER MOD Set 4.1: A 67 SER OG : rot 24:sc= 0.617 USER MOD Set 4.2: A 68 ASN : amide:sc= -0.0479 K(o=0.57,f=-6!) USER MOD Single : A 30 SER OG : rot 25:sc= 0.121 USER MOD Single : A 37 SER OG : rot 180:sc= 0.0024 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -164:sc= -1.28 (180deg=-1.53) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -40:sc= 0.0768 USER MOD Single : A 70 LYS NZ :NH3+ -171:sc= -0.0132 (180deg=-0.131) USER MOD Single : A 79 HIS : no HE2:sc= 0.203 K(o=0.2,f=-0.71) USER MOD Single : A 91 THR OG1 : rot -36:sc= 0.527 USER MOD ----------------------------------------------------------------- ATOM 429 N VAL A 29 3.063 -27.938 -54.845 1.00 0.00 N ATOM 430 CA VAL A 29 3.377 -28.784 -53.672 1.00 0.00 C ATOM 431 C VAL A 29 4.904 -28.944 -53.487 1.00 0.00 C ATOM 432 O VAL A 29 5.665 -28.938 -54.460 1.00 0.00 O ATOM 433 CB VAL A 29 2.680 -30.198 -53.764 1.00 0.00 C ATOM 434 CG1 VAL A 29 1.136 -30.052 -53.749 1.00 0.00 C ATOM 435 CG2 VAL A 29 3.158 -30.994 -55.010 1.00 0.00 C ATOM 0 HA VAL A 29 2.977 -28.272 -52.796 1.00 0.00 H new ATOM 0 HB VAL A 29 2.975 -30.770 -52.884 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.677 -31.038 -53.813 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.825 -29.567 -52.824 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.819 -29.448 -54.599 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.656 -31.961 -55.038 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.918 -30.434 -55.914 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.236 -31.146 -54.953 1.00 0.00 H new ATOM 445 N SER A 30 5.324 -29.069 -52.216 1.00 0.00 N ATOM 446 CA SER A 30 6.725 -29.287 -51.823 1.00 0.00 C ATOM 447 C SER A 30 6.751 -29.924 -50.422 1.00 0.00 C ATOM 448 O SER A 30 6.190 -29.367 -49.472 1.00 0.00 O ATOM 449 CB SER A 30 7.523 -27.956 -51.853 1.00 0.00 C ATOM 450 OG SER A 30 6.885 -26.948 -51.082 1.00 0.00 O ATOM 0 H SER A 30 4.688 -29.020 -51.420 1.00 0.00 H new ATOM 0 HA SER A 30 7.205 -29.961 -52.533 1.00 0.00 H new ATOM 0 HB2 SER A 30 8.529 -28.126 -51.470 1.00 0.00 H new ATOM 0 HB3 SER A 30 7.627 -27.616 -52.883 1.00 0.00 H new ATOM 0 HG SER A 30 6.326 -27.367 -50.394 1.00 0.00 H new ATOM 456 N VAL A 31 7.377 -31.103 -50.316 1.00 0.00 N ATOM 457 CA VAL A 31 7.448 -31.885 -49.072 1.00 0.00 C ATOM 458 C VAL A 31 8.848 -31.721 -48.454 1.00 0.00 C ATOM 459 O VAL A 31 9.855 -31.978 -49.120 1.00 0.00 O ATOM 460 CB VAL A 31 7.144 -33.412 -49.345 1.00 0.00 C ATOM 461 CG1 VAL A 31 7.221 -34.252 -48.046 1.00 0.00 C ATOM 462 CG2 VAL A 31 5.767 -33.588 -50.043 1.00 0.00 C ATOM 0 H VAL A 31 7.855 -31.547 -51.100 1.00 0.00 H new ATOM 0 HA VAL A 31 6.694 -31.516 -48.377 1.00 0.00 H new ATOM 0 HB VAL A 31 7.916 -33.784 -50.019 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.006 -35.296 -48.274 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.221 -34.172 -47.620 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.490 -33.880 -47.328 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.581 -34.647 -50.220 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.981 -33.184 -49.405 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.771 -33.057 -50.995 1.00 0.00 H new ATOM 472 N GLU A 32 8.905 -31.269 -47.190 1.00 0.00 N ATOM 473 CA GLU A 32 10.165 -31.113 -46.450 1.00 0.00 C ATOM 474 C GLU A 32 10.590 -32.453 -45.827 1.00 0.00 C ATOM 475 O GLU A 32 9.901 -33.002 -44.961 1.00 0.00 O ATOM 476 CB GLU A 32 10.025 -30.011 -45.369 1.00 0.00 C ATOM 477 CG GLU A 32 9.859 -28.593 -45.946 1.00 0.00 C ATOM 478 CD GLU A 32 9.615 -27.524 -44.870 1.00 0.00 C ATOM 479 OE1 GLU A 32 10.585 -26.874 -44.421 1.00 0.00 O ATOM 480 OE2 GLU A 32 8.442 -27.324 -44.475 1.00 0.00 O ATOM 0 H GLU A 32 8.079 -31.002 -46.654 1.00 0.00 H new ATOM 0 HA GLU A 32 10.945 -30.803 -47.146 1.00 0.00 H new ATOM 0 HB2 GLU A 32 9.165 -30.240 -44.739 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.905 -30.031 -44.727 1.00 0.00 H new ATOM 0 HG2 GLU A 32 10.753 -28.332 -46.512 1.00 0.00 H new ATOM 0 HG3 GLU A 32 9.025 -28.589 -46.648 1.00 0.00 H new ATOM 487 N LEU A 33 11.724 -32.973 -46.314 1.00 0.00 N ATOM 488 CA LEU A 33 12.318 -34.256 -45.867 1.00 0.00 C ATOM 489 C LEU A 33 13.341 -33.992 -44.716 1.00 0.00 C ATOM 490 O LEU A 33 13.645 -32.824 -44.440 1.00 0.00 O ATOM 491 CB LEU A 33 12.954 -34.978 -47.117 1.00 0.00 C ATOM 492 CG LEU A 33 11.993 -35.849 -47.990 1.00 0.00 C ATOM 493 CD1 LEU A 33 11.448 -37.051 -47.200 1.00 0.00 C ATOM 494 CD2 LEU A 33 10.848 -35.012 -48.565 1.00 0.00 C ATOM 0 H LEU A 33 12.270 -32.512 -47.042 1.00 0.00 H new ATOM 0 HA LEU A 33 11.559 -34.921 -45.455 1.00 0.00 H new ATOM 0 HB2 LEU A 33 13.401 -34.218 -47.758 1.00 0.00 H new ATOM 0 HB3 LEU A 33 13.765 -35.615 -46.765 1.00 0.00 H new ATOM 0 HG LEU A 33 12.578 -36.236 -48.825 1.00 0.00 H new ATOM 0 HD11 LEU A 33 10.784 -37.634 -47.838 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.278 -37.677 -46.871 1.00 0.00 H new ATOM 0 HD13 LEU A 33 10.896 -36.695 -46.330 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.199 -35.648 -49.167 1.00 0.00 H new ATOM 0 HD22 LEU A 33 10.272 -34.574 -47.750 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.256 -34.217 -49.189 1.00 0.00 H new ATOM 506 N PRO A 34 13.851 -35.057 -43.982 1.00 0.00 N ATOM 507 CA PRO A 34 14.798 -34.872 -42.840 1.00 0.00 C ATOM 508 C PRO A 34 16.111 -34.115 -43.187 1.00 0.00 C ATOM 509 O PRO A 34 16.682 -34.301 -44.268 1.00 0.00 O ATOM 510 CB PRO A 34 15.094 -36.325 -42.360 1.00 0.00 C ATOM 511 CG PRO A 34 14.675 -37.200 -43.500 1.00 0.00 C ATOM 512 CD PRO A 34 13.497 -36.499 -44.125 1.00 0.00 C ATOM 0 HA PRO A 34 14.349 -34.234 -42.079 1.00 0.00 H new ATOM 0 HB2 PRO A 34 16.151 -36.457 -42.128 1.00 0.00 H new ATOM 0 HB3 PRO A 34 14.537 -36.563 -41.454 1.00 0.00 H new ATOM 0 HG2 PRO A 34 15.485 -37.325 -44.218 1.00 0.00 H new ATOM 0 HG3 PRO A 34 14.401 -38.196 -43.152 1.00 0.00 H new ATOM 0 HD2 PRO A 34 13.367 -36.781 -45.170 1.00 0.00 H new ATOM 0 HD3 PRO A 34 12.566 -36.739 -43.612 1.00 0.00 H new ATOM 520 N ALA A 35 16.576 -33.284 -42.225 1.00 0.00 N ATOM 521 CA ALA A 35 17.779 -32.425 -42.361 1.00 0.00 C ATOM 522 C ALA A 35 18.538 -32.301 -41.017 1.00 0.00 C ATOM 523 O ALA A 35 17.998 -32.681 -39.971 1.00 0.00 O ATOM 524 CB ALA A 35 17.366 -31.016 -42.829 1.00 0.00 C ATOM 0 H ALA A 35 16.120 -33.189 -41.318 1.00 0.00 H new ATOM 0 HA ALA A 35 18.437 -32.890 -43.095 1.00 0.00 H new ATOM 0 HB1 ALA A 35 18.253 -30.390 -42.927 1.00 0.00 H new ATOM 0 HB2 ALA A 35 16.863 -31.086 -43.794 1.00 0.00 H new ATOM 0 HB3 ALA A 35 16.689 -30.574 -42.098 1.00 0.00 H new ATOM 530 N PRO A 36 19.813 -31.768 -41.027 1.00 0.00 N ATOM 531 CA PRO A 36 20.468 -31.229 -39.803 1.00 0.00 C ATOM 532 C PRO A 36 19.713 -29.998 -39.251 1.00 0.00 C ATOM 533 O PRO A 36 18.923 -29.373 -39.962 1.00 0.00 O ATOM 534 CB PRO A 36 21.895 -30.844 -40.286 1.00 0.00 C ATOM 535 CG PRO A 36 21.755 -30.684 -41.764 1.00 0.00 C ATOM 536 CD PRO A 36 20.732 -31.710 -42.196 1.00 0.00 C ATOM 0 HA PRO A 36 20.479 -31.949 -38.984 1.00 0.00 H new ATOM 0 HB2 PRO A 36 22.238 -29.922 -39.817 1.00 0.00 H new ATOM 0 HB3 PRO A 36 22.621 -31.618 -40.037 1.00 0.00 H new ATOM 0 HG2 PRO A 36 21.429 -29.676 -42.019 1.00 0.00 H new ATOM 0 HG3 PRO A 36 22.708 -30.847 -42.267 1.00 0.00 H new ATOM 0 HD2 PRO A 36 20.213 -31.406 -43.105 1.00 0.00 H new ATOM 0 HD3 PRO A 36 21.190 -32.678 -42.399 1.00 0.00 H new ATOM 544 N SER A 37 19.990 -29.658 -37.986 1.00 0.00 N ATOM 545 CA SER A 37 19.315 -28.555 -37.271 1.00 0.00 C ATOM 546 C SER A 37 19.752 -27.169 -37.788 1.00 0.00 C ATOM 547 O SER A 37 19.012 -26.193 -37.650 1.00 0.00 O ATOM 548 CB SER A 37 19.582 -28.688 -35.754 1.00 0.00 C ATOM 549 OG SER A 37 20.967 -28.829 -35.485 1.00 0.00 O ATOM 0 H SER A 37 20.691 -30.139 -37.423 1.00 0.00 H new ATOM 0 HA SER A 37 18.245 -28.632 -37.461 1.00 0.00 H new ATOM 0 HB2 SER A 37 19.196 -27.810 -35.236 1.00 0.00 H new ATOM 0 HB3 SER A 37 19.044 -29.551 -35.362 1.00 0.00 H new ATOM 0 HG SER A 37 21.106 -28.909 -34.518 1.00 0.00 H new ATOM 555 N SER A 38 20.963 -27.093 -38.374 1.00 0.00 N ATOM 556 CA SER A 38 21.479 -25.854 -38.990 1.00 0.00 C ATOM 557 C SER A 38 20.803 -25.580 -40.351 1.00 0.00 C ATOM 558 O SER A 38 20.675 -24.426 -40.767 1.00 0.00 O ATOM 559 CB SER A 38 23.008 -25.956 -39.170 1.00 0.00 C ATOM 560 OG SER A 38 23.653 -26.195 -37.929 1.00 0.00 O ATOM 0 H SER A 38 21.607 -27.882 -38.434 1.00 0.00 H new ATOM 0 HA SER A 38 21.246 -25.022 -38.326 1.00 0.00 H new ATOM 0 HB2 SER A 38 23.243 -26.761 -39.866 1.00 0.00 H new ATOM 0 HB3 SER A 38 23.388 -25.034 -39.609 1.00 0.00 H new ATOM 0 HG SER A 38 24.621 -26.257 -38.070 1.00 0.00 H new ATOM 566 N TRP A 39 20.375 -26.658 -41.037 1.00 0.00 N ATOM 567 CA TRP A 39 19.781 -26.587 -42.392 1.00 0.00 C ATOM 568 C TRP A 39 18.286 -26.953 -42.347 1.00 0.00 C ATOM 569 O TRP A 39 17.748 -27.287 -41.287 1.00 0.00 O ATOM 570 CB TRP A 39 20.533 -27.544 -43.365 1.00 0.00 C ATOM 571 CG TRP A 39 21.983 -27.187 -43.603 1.00 0.00 C ATOM 572 CD1 TRP A 39 23.007 -27.213 -42.699 1.00 0.00 C ATOM 573 CD2 TRP A 39 22.565 -26.772 -44.841 1.00 0.00 C ATOM 574 NE1 TRP A 39 24.179 -26.840 -43.300 1.00 0.00 N ATOM 575 CE2 TRP A 39 23.932 -26.568 -44.613 1.00 0.00 C ATOM 576 CE3 TRP A 39 22.059 -26.558 -46.117 1.00 0.00 C ATOM 577 CZ2 TRP A 39 24.798 -26.162 -45.614 1.00 0.00 C ATOM 578 CZ3 TRP A 39 22.915 -26.152 -47.112 1.00 0.00 C ATOM 579 CH2 TRP A 39 24.275 -25.959 -46.860 1.00 0.00 C ATOM 0 H TRP A 39 20.431 -27.607 -40.668 1.00 0.00 H new ATOM 0 HA TRP A 39 19.880 -25.564 -42.755 1.00 0.00 H new ATOM 0 HB2 TRP A 39 20.482 -28.558 -42.968 1.00 0.00 H new ATOM 0 HB3 TRP A 39 20.012 -27.550 -44.322 1.00 0.00 H new ATOM 0 HD1 TRP A 39 22.906 -27.488 -41.660 1.00 0.00 H new ATOM 0 HE1 TRP A 39 25.088 -26.776 -42.841 1.00 0.00 H new ATOM 0 HE3 TRP A 39 21.010 -26.708 -46.323 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 25.849 -26.011 -45.417 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 22.530 -25.979 -48.106 1.00 0.00 H new ATOM 0 HH2 TRP A 39 24.924 -25.644 -47.663 1.00 0.00 H new ATOM 590 N LYS A 40 17.617 -26.839 -43.508 1.00 0.00 N ATOM 591 CA LYS A 40 16.285 -27.426 -43.739 1.00 0.00 C ATOM 592 C LYS A 40 16.238 -27.979 -45.166 1.00 0.00 C ATOM 593 O LYS A 40 16.561 -27.297 -46.134 1.00 0.00 O ATOM 594 CB LYS A 40 15.128 -26.408 -43.448 1.00 0.00 C ATOM 595 CG LYS A 40 14.506 -26.532 -42.033 1.00 0.00 C ATOM 596 CD LYS A 40 13.714 -25.281 -41.593 1.00 0.00 C ATOM 597 CE LYS A 40 14.636 -24.068 -41.372 1.00 0.00 C ATOM 598 NZ LYS A 40 13.915 -22.895 -40.816 1.00 0.00 N ATOM 0 H LYS A 40 17.986 -26.336 -44.315 1.00 0.00 H new ATOM 0 HA LYS A 40 16.124 -28.244 -43.036 1.00 0.00 H new ATOM 0 HB2 LYS A 40 15.511 -25.395 -43.576 1.00 0.00 H new ATOM 0 HB3 LYS A 40 14.342 -26.548 -44.190 1.00 0.00 H new ATOM 0 HG2 LYS A 40 13.843 -27.397 -42.011 1.00 0.00 H new ATOM 0 HG3 LYS A 40 15.301 -26.721 -41.311 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.969 -25.038 -42.350 1.00 0.00 H new ATOM 0 HD3 LYS A 40 13.173 -25.499 -40.672 1.00 0.00 H new ATOM 0 HE2 LYS A 40 15.443 -24.348 -40.695 1.00 0.00 H new ATOM 0 HE3 LYS A 40 15.098 -23.790 -42.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 14.581 -22.107 -40.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 13.162 -22.607 -41.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 13.496 -23.148 -39.898 1.00 0.00 H new ATOM 612 N LYS A 41 15.831 -29.232 -45.254 1.00 0.00 N ATOM 613 CA LYS A 41 15.795 -30.025 -46.472 1.00 0.00 C ATOM 614 C LYS A 41 14.369 -30.034 -47.000 1.00 0.00 C ATOM 615 O LYS A 41 13.422 -30.373 -46.281 1.00 0.00 O ATOM 616 CB LYS A 41 16.316 -31.445 -46.125 1.00 0.00 C ATOM 617 CG LYS A 41 15.772 -32.632 -46.931 1.00 0.00 C ATOM 618 CD LYS A 41 16.274 -32.703 -48.368 1.00 0.00 C ATOM 619 CE LYS A 41 15.822 -33.987 -49.074 1.00 0.00 C ATOM 620 NZ LYS A 41 16.199 -35.191 -48.295 1.00 0.00 N ATOM 0 H LYS A 41 15.501 -29.750 -44.440 1.00 0.00 H new ATOM 0 HA LYS A 41 16.429 -29.612 -47.257 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.401 -31.438 -46.233 1.00 0.00 H new ATOM 0 HB3 LYS A 41 16.102 -31.631 -45.072 1.00 0.00 H new ATOM 0 HG2 LYS A 41 16.041 -33.556 -46.419 1.00 0.00 H new ATOM 0 HG3 LYS A 41 14.683 -32.579 -46.942 1.00 0.00 H new ATOM 0 HD2 LYS A 41 15.910 -31.838 -48.922 1.00 0.00 H new ATOM 0 HD3 LYS A 41 17.363 -32.650 -48.374 1.00 0.00 H new ATOM 0 HE2 LYS A 41 14.741 -33.966 -49.215 1.00 0.00 H new ATOM 0 HE3 LYS A 41 16.272 -34.037 -50.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 16.132 -36.033 -48.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 17.175 -35.090 -47.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 15.555 -35.296 -47.485 1.00 0.00 H new ATOM 634 N LEU A 42 14.249 -29.655 -48.260 1.00 0.00 N ATOM 635 CA LEU A 42 12.996 -29.605 -48.989 1.00 0.00 C ATOM 636 C LEU A 42 13.189 -30.358 -50.303 1.00 0.00 C ATOM 637 O LEU A 42 14.185 -30.168 -50.995 1.00 0.00 O ATOM 638 CB LEU A 42 12.590 -28.110 -49.198 1.00 0.00 C ATOM 639 CG LEU A 42 11.338 -27.805 -50.106 1.00 0.00 C ATOM 640 CD1 LEU A 42 10.614 -26.510 -49.668 1.00 0.00 C ATOM 641 CD2 LEU A 42 11.726 -27.698 -51.599 1.00 0.00 C ATOM 0 H LEU A 42 15.049 -29.364 -48.822 1.00 0.00 H new ATOM 0 HA LEU A 42 12.183 -30.082 -48.442 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.405 -27.673 -48.216 1.00 0.00 H new ATOM 0 HB3 LEU A 42 13.447 -27.587 -49.623 1.00 0.00 H new ATOM 0 HG LEU A 42 10.657 -28.647 -49.980 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.757 -26.335 -50.318 1.00 0.00 H new ATOM 0 HD12 LEU A 42 10.273 -26.615 -48.638 1.00 0.00 H new ATOM 0 HD13 LEU A 42 11.302 -25.667 -49.739 1.00 0.00 H new ATOM 0 HD21 LEU A 42 10.836 -27.487 -52.192 1.00 0.00 H new ATOM 0 HD22 LEU A 42 12.449 -26.893 -51.730 1.00 0.00 H new ATOM 0 HD23 LEU A 42 12.167 -28.639 -51.929 1.00 0.00 H new ATOM 653 N PHE A 43 12.239 -31.232 -50.612 1.00 0.00 N ATOM 654 CA PHE A 43 12.135 -31.910 -51.906 1.00 0.00 C ATOM 655 C PHE A 43 10.897 -31.376 -52.647 1.00 0.00 C ATOM 656 O PHE A 43 9.862 -31.106 -52.031 1.00 0.00 O ATOM 657 CB PHE A 43 12.056 -33.450 -51.692 1.00 0.00 C ATOM 658 CG PHE A 43 11.752 -34.257 -52.960 1.00 0.00 C ATOM 659 CD1 PHE A 43 12.558 -34.147 -54.097 1.00 0.00 C ATOM 660 CD2 PHE A 43 10.645 -35.110 -53.021 1.00 0.00 C ATOM 661 CE1 PHE A 43 12.261 -34.854 -55.248 1.00 0.00 C ATOM 662 CE2 PHE A 43 10.356 -35.820 -54.172 1.00 0.00 C ATOM 663 CZ PHE A 43 11.161 -35.691 -55.284 1.00 0.00 C ATOM 0 H PHE A 43 11.502 -31.497 -49.959 1.00 0.00 H new ATOM 0 HA PHE A 43 13.018 -31.708 -52.513 1.00 0.00 H new ATOM 0 HB2 PHE A 43 13.003 -33.795 -51.276 1.00 0.00 H new ATOM 0 HB3 PHE A 43 11.286 -33.661 -50.950 1.00 0.00 H new ATOM 0 HD1 PHE A 43 13.424 -33.502 -54.076 1.00 0.00 H new ATOM 0 HD2 PHE A 43 10.007 -35.216 -52.156 1.00 0.00 H new ATOM 0 HE1 PHE A 43 12.889 -34.752 -56.120 1.00 0.00 H new ATOM 0 HE2 PHE A 43 9.499 -36.476 -54.200 1.00 0.00 H new ATOM 0 HZ PHE A 43 10.932 -36.244 -56.183 1.00 0.00 H new ATOM 673 N TYR A 44 11.026 -31.216 -53.971 1.00 0.00 N ATOM 674 CA TYR A 44 9.907 -30.837 -54.855 1.00 0.00 C ATOM 675 C TYR A 44 9.382 -32.083 -55.612 1.00 0.00 C ATOM 676 O TYR A 44 10.000 -32.502 -56.594 1.00 0.00 O ATOM 677 CB TYR A 44 10.347 -29.717 -55.854 1.00 0.00 C ATOM 678 CG TYR A 44 9.867 -28.314 -55.481 1.00 0.00 C ATOM 679 CD1 TYR A 44 10.699 -27.404 -54.834 1.00 0.00 C ATOM 680 CD2 TYR A 44 8.565 -27.913 -55.767 1.00 0.00 C ATOM 681 CE1 TYR A 44 10.250 -26.144 -54.489 1.00 0.00 C ATOM 682 CE2 TYR A 44 8.114 -26.657 -55.428 1.00 0.00 C ATOM 683 CZ TYR A 44 8.955 -25.776 -54.788 1.00 0.00 C ATOM 684 OH TYR A 44 8.502 -24.523 -54.453 1.00 0.00 O ATOM 0 H TYR A 44 11.910 -31.345 -54.464 1.00 0.00 H new ATOM 0 HA TYR A 44 9.097 -30.438 -54.244 1.00 0.00 H new ATOM 0 HB2 TYR A 44 11.435 -29.711 -55.917 1.00 0.00 H new ATOM 0 HB3 TYR A 44 9.971 -29.964 -56.847 1.00 0.00 H new ATOM 0 HD1 TYR A 44 11.714 -27.688 -54.598 1.00 0.00 H new ATOM 0 HD2 TYR A 44 7.896 -28.600 -56.264 1.00 0.00 H new ATOM 0 HE1 TYR A 44 10.909 -25.451 -53.988 1.00 0.00 H new ATOM 0 HE2 TYR A 44 7.102 -26.364 -55.664 1.00 0.00 H new ATOM 0 HH TYR A 44 7.569 -24.426 -54.736 1.00 0.00 H new ATOM 694 N PRO A 45 8.256 -32.722 -55.144 1.00 0.00 N ATOM 695 CA PRO A 45 7.573 -33.794 -55.903 1.00 0.00 C ATOM 696 C PRO A 45 6.674 -33.205 -57.010 1.00 0.00 C ATOM 697 O PRO A 45 6.047 -32.153 -56.816 1.00 0.00 O ATOM 698 CB PRO A 45 6.740 -34.517 -54.811 1.00 0.00 C ATOM 699 CG PRO A 45 6.393 -33.430 -53.835 1.00 0.00 C ATOM 700 CD PRO A 45 7.571 -32.465 -53.846 1.00 0.00 C ATOM 0 HA PRO A 45 8.260 -34.462 -56.423 1.00 0.00 H new ATOM 0 HB2 PRO A 45 5.845 -34.976 -55.231 1.00 0.00 H new ATOM 0 HB3 PRO A 45 7.313 -35.313 -54.334 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.472 -32.925 -54.125 1.00 0.00 H new ATOM 0 HG3 PRO A 45 6.232 -33.838 -52.837 1.00 0.00 H new ATOM 0 HD2 PRO A 45 7.236 -31.430 -53.773 1.00 0.00 H new ATOM 0 HD3 PRO A 45 8.238 -32.645 -53.003 1.00 0.00 H new ATOM 852 N GLU A 55 14.705 -30.848 -58.419 1.00 0.00 N ATOM 853 CA GLU A 55 15.562 -31.523 -57.440 1.00 0.00 C ATOM 854 C GLU A 55 15.431 -30.869 -56.051 1.00 0.00 C ATOM 855 O GLU A 55 14.602 -29.972 -55.821 1.00 0.00 O ATOM 856 CB GLU A 55 17.053 -31.579 -57.908 1.00 0.00 C ATOM 857 CG GLU A 55 17.745 -30.223 -58.190 1.00 0.00 C ATOM 858 CD GLU A 55 17.369 -29.618 -59.554 1.00 0.00 C ATOM 859 OE1 GLU A 55 16.644 -28.602 -59.608 1.00 0.00 O ATOM 860 OE2 GLU A 55 17.772 -30.196 -60.591 1.00 0.00 O ATOM 0 HA GLU A 55 15.217 -32.554 -57.360 1.00 0.00 H new ATOM 0 HB2 GLU A 55 17.629 -32.103 -57.146 1.00 0.00 H new ATOM 0 HB3 GLU A 55 17.102 -32.181 -58.815 1.00 0.00 H new ATOM 0 HG2 GLU A 55 17.480 -29.518 -57.402 1.00 0.00 H new ATOM 0 HG3 GLU A 55 18.826 -30.359 -58.146 1.00 0.00 H new ATOM 867 N VAL A 56 16.278 -31.322 -55.142 1.00 0.00 N ATOM 868 CA VAL A 56 16.208 -30.990 -53.729 1.00 0.00 C ATOM 869 C VAL A 56 16.856 -29.616 -53.445 1.00 0.00 C ATOM 870 O VAL A 56 17.894 -29.272 -54.012 1.00 0.00 O ATOM 871 CB VAL A 56 16.925 -32.119 -52.914 1.00 0.00 C ATOM 872 CG1 VAL A 56 17.146 -31.707 -51.457 1.00 0.00 C ATOM 873 CG2 VAL A 56 16.152 -33.465 -53.019 1.00 0.00 C ATOM 0 H VAL A 56 17.052 -31.946 -55.372 1.00 0.00 H new ATOM 0 HA VAL A 56 15.163 -30.922 -53.426 1.00 0.00 H new ATOM 0 HB VAL A 56 17.909 -32.271 -53.357 1.00 0.00 H new ATOM 0 HG11 VAL A 56 17.646 -32.515 -50.922 1.00 0.00 H new ATOM 0 HG12 VAL A 56 17.766 -30.811 -51.422 1.00 0.00 H new ATOM 0 HG13 VAL A 56 16.184 -31.501 -50.987 1.00 0.00 H new ATOM 0 HG21 VAL A 56 16.673 -34.230 -52.443 1.00 0.00 H new ATOM 0 HG22 VAL A 56 15.144 -33.338 -52.624 1.00 0.00 H new ATOM 0 HG23 VAL A 56 16.096 -33.772 -54.063 1.00 0.00 H new ATOM 883 N VAL A 57 16.200 -28.842 -52.570 1.00 0.00 N ATOM 884 CA VAL A 57 16.691 -27.553 -52.077 1.00 0.00 C ATOM 885 C VAL A 57 17.033 -27.680 -50.571 1.00 0.00 C ATOM 886 O VAL A 57 16.152 -27.956 -49.751 1.00 0.00 O ATOM 887 CB VAL A 57 15.605 -26.423 -52.304 1.00 0.00 C ATOM 888 CG1 VAL A 57 16.099 -25.035 -51.813 1.00 0.00 C ATOM 889 CG2 VAL A 57 15.163 -26.373 -53.794 1.00 0.00 C ATOM 0 H VAL A 57 15.295 -29.102 -52.178 1.00 0.00 H new ATOM 0 HA VAL A 57 17.589 -27.274 -52.629 1.00 0.00 H new ATOM 0 HB VAL A 57 14.734 -26.680 -51.701 1.00 0.00 H new ATOM 0 HG11 VAL A 57 15.323 -24.290 -51.988 1.00 0.00 H new ATOM 0 HG12 VAL A 57 16.321 -25.084 -50.747 1.00 0.00 H new ATOM 0 HG13 VAL A 57 17.000 -24.755 -52.359 1.00 0.00 H new ATOM 0 HG21 VAL A 57 14.417 -25.590 -53.926 1.00 0.00 H new ATOM 0 HG22 VAL A 57 16.027 -26.160 -54.423 1.00 0.00 H new ATOM 0 HG23 VAL A 57 14.734 -27.334 -54.079 1.00 0.00 H new ATOM 899 N PHE A 58 18.325 -27.525 -50.230 1.00 0.00 N ATOM 900 CA PHE A 58 18.804 -27.452 -48.830 1.00 0.00 C ATOM 901 C PHE A 58 19.035 -25.972 -48.472 1.00 0.00 C ATOM 902 O PHE A 58 19.931 -25.343 -49.036 1.00 0.00 O ATOM 903 CB PHE A 58 20.140 -28.242 -48.644 1.00 0.00 C ATOM 904 CG PHE A 58 20.024 -29.761 -48.502 1.00 0.00 C ATOM 905 CD1 PHE A 58 20.083 -30.597 -49.611 1.00 0.00 C ATOM 906 CD2 PHE A 58 19.892 -30.353 -47.243 1.00 0.00 C ATOM 907 CE1 PHE A 58 20.017 -31.973 -49.472 1.00 0.00 C ATOM 908 CE2 PHE A 58 19.819 -31.730 -47.108 1.00 0.00 C ATOM 909 CZ PHE A 58 19.881 -32.538 -48.225 1.00 0.00 C ATOM 0 H PHE A 58 19.073 -27.446 -50.919 1.00 0.00 H new ATOM 0 HA PHE A 58 18.054 -27.899 -48.177 1.00 0.00 H new ATOM 0 HB2 PHE A 58 20.784 -28.028 -49.497 1.00 0.00 H new ATOM 0 HB3 PHE A 58 20.644 -27.855 -47.759 1.00 0.00 H new ATOM 0 HD1 PHE A 58 20.182 -30.166 -50.597 1.00 0.00 H new ATOM 0 HD2 PHE A 58 19.846 -29.728 -46.363 1.00 0.00 H new ATOM 0 HE1 PHE A 58 20.072 -32.605 -50.346 1.00 0.00 H new ATOM 0 HE2 PHE A 58 19.714 -32.171 -46.128 1.00 0.00 H new ATOM 0 HZ PHE A 58 19.823 -33.611 -48.121 1.00 0.00 H new ATOM 919 N VAL A 59 18.239 -25.412 -47.544 1.00 0.00 N ATOM 920 CA VAL A 59 18.395 -24.001 -47.135 1.00 0.00 C ATOM 921 C VAL A 59 19.536 -23.896 -46.106 1.00 0.00 C ATOM 922 O VAL A 59 19.610 -24.701 -45.162 1.00 0.00 O ATOM 923 CB VAL A 59 17.051 -23.371 -46.586 1.00 0.00 C ATOM 924 CG1 VAL A 59 16.703 -23.826 -45.157 1.00 0.00 C ATOM 925 CG2 VAL A 59 17.075 -21.830 -46.687 1.00 0.00 C ATOM 0 H VAL A 59 17.487 -25.908 -47.066 1.00 0.00 H new ATOM 0 HA VAL A 59 18.651 -23.416 -48.018 1.00 0.00 H new ATOM 0 HB VAL A 59 16.256 -23.750 -47.228 1.00 0.00 H new ATOM 0 HG11 VAL A 59 15.771 -23.357 -44.843 1.00 0.00 H new ATOM 0 HG12 VAL A 59 16.588 -24.910 -45.138 1.00 0.00 H new ATOM 0 HG13 VAL A 59 17.503 -23.534 -44.477 1.00 0.00 H new ATOM 0 HG21 VAL A 59 16.139 -21.426 -46.303 1.00 0.00 H new ATOM 0 HG22 VAL A 59 17.907 -21.440 -46.100 1.00 0.00 H new ATOM 0 HG23 VAL A 59 17.196 -21.536 -47.729 1.00 0.00 H new ATOM 935 N ALA A 60 20.446 -22.934 -46.324 1.00 0.00 N ATOM 936 CA ALA A 60 21.691 -22.821 -45.544 1.00 0.00 C ATOM 937 C ALA A 60 21.529 -21.886 -44.324 1.00 0.00 C ATOM 938 O ALA A 60 20.824 -20.876 -44.419 1.00 0.00 O ATOM 939 CB ALA A 60 22.830 -22.336 -46.440 1.00 0.00 C ATOM 0 H ALA A 60 20.342 -22.216 -47.041 1.00 0.00 H new ATOM 0 HA ALA A 60 21.931 -23.813 -45.161 1.00 0.00 H new ATOM 0 HB1 ALA A 60 23.745 -22.256 -45.854 1.00 0.00 H new ATOM 0 HB2 ALA A 60 22.981 -23.046 -47.253 1.00 0.00 H new ATOM 0 HB3 ALA A 60 22.577 -21.360 -46.853 1.00 0.00 H new ATOM 945 N PRO A 61 22.230 -22.197 -43.175 1.00 0.00 N ATOM 946 CA PRO A 61 22.128 -21.429 -41.898 1.00 0.00 C ATOM 947 C PRO A 61 22.540 -19.946 -42.030 1.00 0.00 C ATOM 948 O PRO A 61 21.935 -19.066 -41.398 1.00 0.00 O ATOM 949 CB PRO A 61 23.089 -22.196 -40.935 1.00 0.00 C ATOM 950 CG PRO A 61 24.015 -22.950 -41.843 1.00 0.00 C ATOM 951 CD PRO A 61 23.168 -23.343 -43.029 1.00 0.00 C ATOM 0 HA PRO A 61 21.097 -21.380 -41.547 1.00 0.00 H new ATOM 0 HB2 PRO A 61 23.638 -21.508 -40.292 1.00 0.00 H new ATOM 0 HB3 PRO A 61 22.538 -22.872 -40.281 1.00 0.00 H new ATOM 0 HG2 PRO A 61 24.858 -22.331 -42.149 1.00 0.00 H new ATOM 0 HG3 PRO A 61 24.428 -23.827 -41.345 1.00 0.00 H new ATOM 0 HD2 PRO A 61 23.772 -23.485 -43.925 1.00 0.00 H new ATOM 0 HD3 PRO A 61 22.636 -24.278 -42.851 1.00 0.00 H new ATOM 959 N THR A 62 23.563 -19.679 -42.866 1.00 0.00 N ATOM 960 CA THR A 62 24.080 -18.312 -43.087 1.00 0.00 C ATOM 961 C THR A 62 23.159 -17.510 -44.037 1.00 0.00 C ATOM 962 O THR A 62 23.318 -16.296 -44.190 1.00 0.00 O ATOM 963 CB THR A 62 25.547 -18.339 -43.645 1.00 0.00 C ATOM 964 OG1 THR A 62 26.144 -17.041 -43.529 1.00 0.00 O ATOM 965 CG2 THR A 62 25.620 -18.791 -45.115 1.00 0.00 C ATOM 0 H THR A 62 24.051 -20.396 -43.403 1.00 0.00 H new ATOM 0 HA THR A 62 24.092 -17.812 -42.119 1.00 0.00 H new ATOM 0 HB THR A 62 26.092 -19.068 -43.045 1.00 0.00 H new ATOM 0 HG1 THR A 62 25.483 -16.355 -43.760 1.00 0.00 H new ATOM 0 HG21 THR A 62 26.659 -18.790 -45.445 1.00 0.00 H new ATOM 0 HG22 THR A 62 25.211 -19.797 -45.207 1.00 0.00 H new ATOM 0 HG23 THR A 62 25.042 -18.106 -45.735 1.00 0.00 H new ATOM 973 N GLY A 63 22.183 -18.208 -44.656 1.00 0.00 N ATOM 974 CA GLY A 63 21.222 -17.588 -45.573 1.00 0.00 C ATOM 975 C GLY A 63 21.625 -17.677 -47.039 1.00 0.00 C ATOM 976 O GLY A 63 21.176 -16.873 -47.859 1.00 0.00 O ATOM 0 H GLY A 63 22.045 -19.211 -44.531 1.00 0.00 H new ATOM 0 HA2 GLY A 63 20.251 -18.065 -45.443 1.00 0.00 H new ATOM 0 HA3 GLY A 63 21.101 -16.539 -45.302 1.00 0.00 H new ATOM 980 N GLU A 64 22.461 -18.670 -47.371 1.00 0.00 N ATOM 981 CA GLU A 64 22.928 -18.915 -48.747 1.00 0.00 C ATOM 982 C GLU A 64 22.343 -20.251 -49.236 1.00 0.00 C ATOM 983 O GLU A 64 23.046 -21.265 -49.322 1.00 0.00 O ATOM 984 CB GLU A 64 24.480 -18.905 -48.789 1.00 0.00 C ATOM 985 CG GLU A 64 25.087 -18.954 -50.202 1.00 0.00 C ATOM 986 CD GLU A 64 26.621 -18.932 -50.183 1.00 0.00 C ATOM 987 OE1 GLU A 64 27.258 -19.949 -50.515 1.00 0.00 O ATOM 988 OE2 GLU A 64 27.196 -17.892 -49.814 1.00 0.00 O ATOM 0 H GLU A 64 22.836 -19.331 -46.690 1.00 0.00 H new ATOM 0 HA GLU A 64 22.585 -18.125 -49.415 1.00 0.00 H new ATOM 0 HB2 GLU A 64 24.837 -18.006 -48.286 1.00 0.00 H new ATOM 0 HB3 GLU A 64 24.850 -19.758 -48.220 1.00 0.00 H new ATOM 0 HG2 GLU A 64 24.746 -19.856 -50.709 1.00 0.00 H new ATOM 0 HG3 GLU A 64 24.722 -18.106 -50.781 1.00 0.00 H new ATOM 995 N GLU A 65 21.020 -20.240 -49.488 1.00 0.00 N ATOM 996 CA GLU A 65 20.245 -21.454 -49.827 1.00 0.00 C ATOM 997 C GLU A 65 20.786 -22.153 -51.096 1.00 0.00 C ATOM 998 O GLU A 65 21.257 -21.506 -52.043 1.00 0.00 O ATOM 999 CB GLU A 65 18.721 -21.144 -49.997 1.00 0.00 C ATOM 1000 CG GLU A 65 18.337 -20.146 -51.126 1.00 0.00 C ATOM 1001 CD GLU A 65 18.548 -18.657 -50.766 1.00 0.00 C ATOM 1002 OE1 GLU A 65 19.641 -18.109 -51.026 1.00 0.00 O ATOM 1003 OE2 GLU A 65 17.618 -18.037 -50.217 1.00 0.00 O ATOM 0 H GLU A 65 20.456 -19.390 -49.463 1.00 0.00 H new ATOM 0 HA GLU A 65 20.366 -22.135 -48.985 1.00 0.00 H new ATOM 0 HB2 GLU A 65 18.200 -22.084 -50.181 1.00 0.00 H new ATOM 0 HB3 GLU A 65 18.345 -20.751 -49.052 1.00 0.00 H new ATOM 0 HG2 GLU A 65 18.924 -20.379 -52.014 1.00 0.00 H new ATOM 0 HG3 GLU A 65 17.290 -20.298 -51.387 1.00 0.00 H new ATOM 1010 N ILE A 66 20.694 -23.489 -51.089 1.00 0.00 N ATOM 1011 CA ILE A 66 21.287 -24.366 -52.110 1.00 0.00 C ATOM 1012 C ILE A 66 20.179 -25.025 -52.947 1.00 0.00 C ATOM 1013 O ILE A 66 19.279 -25.641 -52.385 1.00 0.00 O ATOM 1014 CB ILE A 66 22.166 -25.474 -51.428 1.00 0.00 C ATOM 1015 CG1 ILE A 66 23.233 -24.846 -50.468 1.00 0.00 C ATOM 1016 CG2 ILE A 66 22.821 -26.389 -52.479 1.00 0.00 C ATOM 1017 CD1 ILE A 66 24.210 -23.884 -51.114 1.00 0.00 C ATOM 0 H ILE A 66 20.196 -24.001 -50.361 1.00 0.00 H new ATOM 0 HA ILE A 66 21.918 -23.764 -52.763 1.00 0.00 H new ATOM 0 HB ILE A 66 21.506 -26.092 -50.819 1.00 0.00 H new ATOM 0 HG12 ILE A 66 22.711 -24.322 -49.667 1.00 0.00 H new ATOM 0 HG13 ILE A 66 23.799 -25.654 -50.005 1.00 0.00 H new ATOM 0 HG21 ILE A 66 23.423 -27.146 -51.977 1.00 0.00 H new ATOM 0 HG22 ILE A 66 22.046 -26.876 -53.071 1.00 0.00 H new ATOM 0 HG23 ILE A 66 23.458 -25.794 -53.133 1.00 0.00 H new ATOM 0 HD11 ILE A 66 24.903 -23.509 -50.361 1.00 0.00 H new ATOM 0 HD12 ILE A 66 24.768 -24.401 -51.895 1.00 0.00 H new ATOM 0 HD13 ILE A 66 23.663 -23.049 -51.552 1.00 0.00 H new ATOM 1029 N SER A 67 20.273 -24.900 -54.282 1.00 0.00 N ATOM 1030 CA SER A 67 19.282 -25.452 -55.235 1.00 0.00 C ATOM 1031 C SER A 67 19.778 -26.768 -55.880 1.00 0.00 C ATOM 1032 O SER A 67 18.994 -27.494 -56.498 1.00 0.00 O ATOM 1033 CB SER A 67 19.011 -24.392 -56.335 1.00 0.00 C ATOM 1034 OG SER A 67 20.215 -23.955 -56.954 1.00 0.00 O ATOM 0 H SER A 67 21.043 -24.410 -54.738 1.00 0.00 H new ATOM 0 HA SER A 67 18.365 -25.683 -54.692 1.00 0.00 H new ATOM 0 HB2 SER A 67 18.346 -24.813 -57.089 1.00 0.00 H new ATOM 0 HB3 SER A 67 18.496 -23.537 -55.897 1.00 0.00 H new ATOM 0 HG SER A 67 20.902 -24.647 -56.858 1.00 0.00 H new ATOM 1040 N ASN A 68 21.085 -27.055 -55.721 1.00 0.00 N ATOM 1041 CA ASN A 68 21.779 -28.115 -56.480 1.00 0.00 C ATOM 1042 C ASN A 68 23.075 -28.546 -55.769 1.00 0.00 C ATOM 1043 O ASN A 68 23.722 -27.749 -55.085 1.00 0.00 O ATOM 1044 CB ASN A 68 22.092 -27.642 -57.929 1.00 0.00 C ATOM 1045 CG ASN A 68 22.840 -26.302 -57.987 1.00 0.00 C ATOM 1046 OD1 ASN A 68 22.664 -25.436 -57.133 1.00 0.00 O ATOM 1047 ND2 ASN A 68 23.667 -26.105 -58.991 1.00 0.00 N ATOM 0 H ASN A 68 21.688 -26.560 -55.064 1.00 0.00 H new ATOM 0 HA ASN A 68 21.113 -28.977 -56.532 1.00 0.00 H new ATOM 0 HB2 ASN A 68 22.688 -28.404 -58.431 1.00 0.00 H new ATOM 0 HB3 ASN A 68 21.158 -27.552 -58.483 1.00 0.00 H new ATOM 0 HD21 ASN A 68 24.174 -25.223 -59.069 1.00 0.00 H new ATOM 0 HD22 ASN A 68 23.802 -26.834 -59.691 1.00 0.00 H new ATOM 1054 N ARG A 69 23.455 -29.812 -56.005 1.00 0.00 N ATOM 1055 CA ARG A 69 24.557 -30.518 -55.307 1.00 0.00 C ATOM 1056 C ARG A 69 25.917 -29.781 -55.403 1.00 0.00 C ATOM 1057 O ARG A 69 26.696 -29.778 -54.444 1.00 0.00 O ATOM 1058 CB ARG A 69 24.672 -31.957 -55.878 1.00 0.00 C ATOM 1059 CG ARG A 69 25.640 -32.864 -55.102 1.00 0.00 C ATOM 1060 CD ARG A 69 25.809 -34.263 -55.714 1.00 0.00 C ATOM 1061 NE ARG A 69 26.723 -35.089 -54.909 1.00 0.00 N ATOM 1062 CZ ARG A 69 28.039 -35.250 -55.129 1.00 0.00 C ATOM 1063 NH1 ARG A 69 28.644 -34.689 -56.177 1.00 0.00 N ATOM 1064 NH2 ARG A 69 28.739 -35.998 -54.297 1.00 0.00 N ATOM 0 H ARG A 69 22.995 -30.394 -56.705 1.00 0.00 H new ATOM 0 HA ARG A 69 24.311 -30.547 -54.246 1.00 0.00 H new ATOM 0 HB2 ARG A 69 23.683 -32.416 -55.880 1.00 0.00 H new ATOM 0 HB3 ARG A 69 24.998 -31.899 -56.916 1.00 0.00 H new ATOM 0 HG2 ARG A 69 26.615 -32.380 -55.053 1.00 0.00 H new ATOM 0 HG3 ARG A 69 25.283 -32.967 -54.077 1.00 0.00 H new ATOM 0 HD2 ARG A 69 24.838 -34.752 -55.783 1.00 0.00 H new ATOM 0 HD3 ARG A 69 26.194 -34.174 -56.730 1.00 0.00 H new ATOM 0 HE ARG A 69 26.322 -35.584 -54.112 1.00 0.00 H new ATOM 0 HH11 ARG A 69 28.106 -34.123 -56.833 1.00 0.00 H new ATOM 0 HH12 ARG A 69 29.644 -34.826 -56.322 1.00 0.00 H new ATOM 0 HH21 ARG A 69 28.280 -36.443 -53.502 1.00 0.00 H new ATOM 0 HH22 ARG A 69 29.739 -36.131 -54.449 1.00 0.00 H new ATOM 1078 N LYS A 70 26.166 -29.149 -56.564 1.00 0.00 N ATOM 1079 CA LYS A 70 27.399 -28.372 -56.834 1.00 0.00 C ATOM 1080 C LYS A 70 27.564 -27.255 -55.791 1.00 0.00 C ATOM 1081 O LYS A 70 28.631 -27.106 -55.180 1.00 0.00 O ATOM 1082 CB LYS A 70 27.330 -27.776 -58.276 1.00 0.00 C ATOM 1083 CG LYS A 70 28.624 -27.093 -58.821 1.00 0.00 C ATOM 1084 CD LYS A 70 28.816 -25.622 -58.353 1.00 0.00 C ATOM 1085 CE LYS A 70 30.075 -24.968 -58.946 1.00 0.00 C ATOM 1086 NZ LYS A 70 31.306 -25.744 -58.630 1.00 0.00 N ATOM 0 H LYS A 70 25.516 -29.160 -57.350 1.00 0.00 H new ATOM 0 HA LYS A 70 28.265 -29.030 -56.764 1.00 0.00 H new ATOM 0 HB2 LYS A 70 27.055 -28.578 -58.962 1.00 0.00 H new ATOM 0 HB3 LYS A 70 26.523 -27.044 -58.302 1.00 0.00 H new ATOM 0 HG2 LYS A 70 29.489 -27.678 -58.508 1.00 0.00 H new ATOM 0 HG3 LYS A 70 28.602 -27.116 -59.911 1.00 0.00 H new ATOM 0 HD2 LYS A 70 27.941 -25.038 -58.637 1.00 0.00 H new ATOM 0 HD3 LYS A 70 28.877 -25.597 -57.265 1.00 0.00 H new ATOM 0 HE2 LYS A 70 29.966 -24.885 -60.027 1.00 0.00 H new ATOM 0 HE3 LYS A 70 30.175 -23.955 -58.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 32.144 -25.196 -58.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 31.345 -25.933 -57.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 31.291 -26.646 -59.148 1.00 0.00 H new ATOM 1100 N GLN A 71 26.475 -26.486 -55.599 1.00 0.00 N ATOM 1101 CA GLN A 71 26.464 -25.312 -54.715 1.00 0.00 C ATOM 1102 C GLN A 71 26.608 -25.710 -53.240 1.00 0.00 C ATOM 1103 O GLN A 71 27.081 -24.908 -52.443 1.00 0.00 O ATOM 1104 CB GLN A 71 25.198 -24.451 -54.955 1.00 0.00 C ATOM 1105 CG GLN A 71 25.191 -23.737 -56.325 1.00 0.00 C ATOM 1106 CD GLN A 71 26.281 -22.669 -56.483 1.00 0.00 C ATOM 1107 OE1 GLN A 71 26.664 -21.999 -55.530 1.00 0.00 O ATOM 1108 NE2 GLN A 71 26.780 -22.490 -57.694 1.00 0.00 N ATOM 0 H GLN A 71 25.580 -26.664 -56.054 1.00 0.00 H new ATOM 0 HA GLN A 71 27.332 -24.702 -54.964 1.00 0.00 H new ATOM 0 HB2 GLN A 71 24.316 -25.087 -54.881 1.00 0.00 H new ATOM 0 HB3 GLN A 71 25.120 -23.705 -54.164 1.00 0.00 H new ATOM 0 HG2 GLN A 71 25.312 -24.482 -57.111 1.00 0.00 H new ATOM 0 HG3 GLN A 71 24.217 -23.271 -56.474 1.00 0.00 H new ATOM 0 HE21 GLN A 71 26.447 -23.059 -58.472 1.00 0.00 H new ATOM 0 HE22 GLN A 71 27.499 -21.783 -57.850 1.00 0.00 H new ATOM 1117 N LEU A 72 26.228 -26.956 -52.909 1.00 0.00 N ATOM 1118 CA LEU A 72 26.393 -27.516 -51.552 1.00 0.00 C ATOM 1119 C LEU A 72 27.903 -27.663 -51.245 1.00 0.00 C ATOM 1120 O LEU A 72 28.388 -27.212 -50.206 1.00 0.00 O ATOM 1121 CB LEU A 72 25.671 -28.907 -51.453 1.00 0.00 C ATOM 1122 CG LEU A 72 25.135 -29.352 -50.047 1.00 0.00 C ATOM 1123 CD1 LEU A 72 26.229 -29.407 -48.970 1.00 0.00 C ATOM 1124 CD2 LEU A 72 23.962 -28.464 -49.608 1.00 0.00 C ATOM 0 H LEU A 72 25.799 -27.603 -53.570 1.00 0.00 H new ATOM 0 HA LEU A 72 25.943 -26.846 -50.820 1.00 0.00 H new ATOM 0 HB2 LEU A 72 24.829 -28.898 -52.145 1.00 0.00 H new ATOM 0 HB3 LEU A 72 26.365 -29.671 -51.805 1.00 0.00 H new ATOM 0 HG LEU A 72 24.776 -30.375 -50.160 1.00 0.00 H new ATOM 0 HD11 LEU A 72 25.791 -29.721 -48.023 1.00 0.00 H new ATOM 0 HD12 LEU A 72 26.998 -30.119 -49.269 1.00 0.00 H new ATOM 0 HD13 LEU A 72 26.675 -28.419 -48.854 1.00 0.00 H new ATOM 0 HD21 LEU A 72 23.605 -28.789 -48.631 1.00 0.00 H new ATOM 0 HD22 LEU A 72 24.293 -27.427 -49.547 1.00 0.00 H new ATOM 0 HD23 LEU A 72 23.153 -28.544 -50.335 1.00 0.00 H new ATOM 1136 N GLU A 73 28.617 -28.299 -52.187 1.00 0.00 N ATOM 1137 CA GLU A 73 30.055 -28.623 -52.064 1.00 0.00 C ATOM 1138 C GLU A 73 30.910 -27.344 -51.989 1.00 0.00 C ATOM 1139 O GLU A 73 31.771 -27.202 -51.100 1.00 0.00 O ATOM 1140 CB GLU A 73 30.472 -29.502 -53.272 1.00 0.00 C ATOM 1141 CG GLU A 73 29.689 -30.823 -53.363 1.00 0.00 C ATOM 1142 CD GLU A 73 29.945 -31.609 -54.658 1.00 0.00 C ATOM 1143 OE1 GLU A 73 31.017 -32.238 -54.780 1.00 0.00 O ATOM 1144 OE2 GLU A 73 29.080 -31.600 -55.559 1.00 0.00 O ATOM 0 H GLU A 73 28.210 -28.609 -53.069 1.00 0.00 H new ATOM 0 HA GLU A 73 30.224 -29.173 -51.138 1.00 0.00 H new ATOM 0 HB2 GLU A 73 30.325 -28.936 -54.192 1.00 0.00 H new ATOM 0 HB3 GLU A 73 31.537 -29.723 -53.201 1.00 0.00 H new ATOM 0 HG2 GLU A 73 29.952 -31.450 -52.511 1.00 0.00 H new ATOM 0 HG3 GLU A 73 28.623 -30.609 -53.284 1.00 0.00 H new ATOM 1151 N GLN A 74 30.641 -26.404 -52.915 1.00 0.00 N ATOM 1152 CA GLN A 74 31.353 -25.121 -52.978 1.00 0.00 C ATOM 1153 C GLN A 74 31.011 -24.224 -51.763 1.00 0.00 C ATOM 1154 O GLN A 74 31.831 -23.395 -51.351 1.00 0.00 O ATOM 1155 CB GLN A 74 31.114 -24.406 -54.351 1.00 0.00 C ATOM 1156 CG GLN A 74 29.692 -23.874 -54.638 1.00 0.00 C ATOM 1157 CD GLN A 74 29.432 -22.439 -54.167 1.00 0.00 C ATOM 1158 OE1 GLN A 74 28.981 -22.205 -53.049 1.00 0.00 O ATOM 1159 NE2 GLN A 74 29.732 -21.471 -55.022 1.00 0.00 N ATOM 0 H GLN A 74 29.927 -26.515 -53.635 1.00 0.00 H new ATOM 0 HA GLN A 74 32.422 -25.323 -52.917 1.00 0.00 H new ATOM 0 HB2 GLN A 74 31.807 -23.568 -54.419 1.00 0.00 H new ATOM 0 HB3 GLN A 74 31.379 -25.104 -55.145 1.00 0.00 H new ATOM 0 HG2 GLN A 74 29.510 -23.927 -55.711 1.00 0.00 H new ATOM 0 HG3 GLN A 74 28.969 -24.535 -54.159 1.00 0.00 H new ATOM 0 HE21 GLN A 74 30.105 -21.701 -55.943 1.00 0.00 H new ATOM 0 HE22 GLN A 74 29.590 -20.496 -54.759 1.00 0.00 H new ATOM 1168 N TYR A 75 29.804 -24.421 -51.186 1.00 0.00 N ATOM 1169 CA TYR A 75 29.387 -23.740 -49.944 1.00 0.00 C ATOM 1170 C TYR A 75 30.293 -24.164 -48.776 1.00 0.00 C ATOM 1171 O TYR A 75 30.843 -23.314 -48.094 1.00 0.00 O ATOM 1172 CB TYR A 75 27.897 -24.055 -49.617 1.00 0.00 C ATOM 1173 CG TYR A 75 27.383 -23.479 -48.289 1.00 0.00 C ATOM 1174 CD1 TYR A 75 26.798 -22.220 -48.220 1.00 0.00 C ATOM 1175 CD2 TYR A 75 27.491 -24.202 -47.100 1.00 0.00 C ATOM 1176 CE1 TYR A 75 26.346 -21.706 -47.023 1.00 0.00 C ATOM 1177 CE2 TYR A 75 27.041 -23.690 -45.906 1.00 0.00 C ATOM 1178 CZ TYR A 75 26.468 -22.445 -45.868 1.00 0.00 C ATOM 1179 OH TYR A 75 26.010 -21.938 -44.667 1.00 0.00 O ATOM 0 H TYR A 75 29.098 -25.052 -51.566 1.00 0.00 H new ATOM 0 HA TYR A 75 29.484 -22.664 -50.091 1.00 0.00 H new ATOM 0 HB2 TYR A 75 27.275 -23.671 -50.426 1.00 0.00 H new ATOM 0 HB3 TYR A 75 27.766 -25.137 -49.600 1.00 0.00 H new ATOM 0 HD1 TYR A 75 26.696 -21.633 -49.121 1.00 0.00 H new ATOM 0 HD2 TYR A 75 27.938 -25.185 -47.118 1.00 0.00 H new ATOM 0 HE1 TYR A 75 25.897 -20.724 -46.992 1.00 0.00 H new ATOM 0 HE2 TYR A 75 27.139 -24.268 -44.999 1.00 0.00 H new ATOM 0 HH TYR A 75 26.601 -22.230 -43.942 1.00 0.00 H new ATOM 1189 N LEU A 76 30.434 -25.491 -48.579 1.00 0.00 N ATOM 1190 CA LEU A 76 31.125 -26.076 -47.401 1.00 0.00 C ATOM 1191 C LEU A 76 32.624 -25.730 -47.367 1.00 0.00 C ATOM 1192 O LEU A 76 33.182 -25.475 -46.292 1.00 0.00 O ATOM 1193 CB LEU A 76 30.943 -27.614 -47.378 1.00 0.00 C ATOM 1194 CG LEU A 76 29.484 -28.132 -47.216 1.00 0.00 C ATOM 1195 CD1 LEU A 76 29.450 -29.669 -47.263 1.00 0.00 C ATOM 1196 CD2 LEU A 76 28.820 -27.587 -45.927 1.00 0.00 C ATOM 0 H LEU A 76 30.074 -26.190 -49.229 1.00 0.00 H new ATOM 0 HA LEU A 76 30.666 -25.637 -46.515 1.00 0.00 H new ATOM 0 HB2 LEU A 76 31.350 -28.021 -48.304 1.00 0.00 H new ATOM 0 HB3 LEU A 76 31.542 -28.018 -46.562 1.00 0.00 H new ATOM 0 HG LEU A 76 28.899 -27.754 -48.054 1.00 0.00 H new ATOM 0 HD11 LEU A 76 28.422 -30.014 -47.148 1.00 0.00 H new ATOM 0 HD12 LEU A 76 29.843 -30.013 -48.220 1.00 0.00 H new ATOM 0 HD13 LEU A 76 30.060 -30.071 -46.454 1.00 0.00 H new ATOM 0 HD21 LEU A 76 27.803 -27.972 -45.851 1.00 0.00 H new ATOM 0 HD22 LEU A 76 29.395 -27.907 -45.058 1.00 0.00 H new ATOM 0 HD23 LEU A 76 28.794 -26.498 -45.964 1.00 0.00 H new ATOM 1208 N LYS A 77 33.272 -25.738 -48.545 1.00 0.00 N ATOM 1209 CA LYS A 77 34.704 -25.387 -48.657 1.00 0.00 C ATOM 1210 C LYS A 77 34.920 -23.863 -48.489 1.00 0.00 C ATOM 1211 O LYS A 77 36.023 -23.422 -48.165 1.00 0.00 O ATOM 1212 CB LYS A 77 35.306 -25.954 -49.989 1.00 0.00 C ATOM 1213 CG LYS A 77 34.679 -25.439 -51.318 1.00 0.00 C ATOM 1214 CD LYS A 77 35.295 -24.106 -51.814 1.00 0.00 C ATOM 1215 CE LYS A 77 34.679 -23.610 -53.133 1.00 0.00 C ATOM 1216 NZ LYS A 77 35.168 -22.258 -53.505 1.00 0.00 N ATOM 0 H LYS A 77 32.831 -25.982 -49.432 1.00 0.00 H new ATOM 0 HA LYS A 77 35.250 -25.860 -47.841 1.00 0.00 H new ATOM 0 HB2 LYS A 77 36.372 -25.725 -50.005 1.00 0.00 H new ATOM 0 HB3 LYS A 77 35.214 -27.040 -49.968 1.00 0.00 H new ATOM 0 HG2 LYS A 77 34.806 -26.199 -52.089 1.00 0.00 H new ATOM 0 HG3 LYS A 77 33.607 -25.305 -51.177 1.00 0.00 H new ATOM 0 HD2 LYS A 77 35.160 -23.343 -51.047 1.00 0.00 H new ATOM 0 HD3 LYS A 77 36.369 -24.237 -51.948 1.00 0.00 H new ATOM 0 HE2 LYS A 77 34.917 -24.313 -53.931 1.00 0.00 H new ATOM 0 HE3 LYS A 77 33.593 -23.589 -53.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 34.780 -21.992 -54.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 34.860 -21.569 -52.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 36.207 -22.266 -53.553 1.00 0.00 H new ATOM 1230 N SER A 78 33.856 -23.065 -48.722 1.00 0.00 N ATOM 1231 CA SER A 78 33.881 -21.594 -48.504 1.00 0.00 C ATOM 1232 C SER A 78 33.231 -21.186 -47.160 1.00 0.00 C ATOM 1233 O SER A 78 33.252 -20.006 -46.789 1.00 0.00 O ATOM 1234 CB SER A 78 33.166 -20.895 -49.674 1.00 0.00 C ATOM 1235 OG SER A 78 33.770 -21.225 -50.907 1.00 0.00 O ATOM 0 H SER A 78 32.960 -23.414 -49.064 1.00 0.00 H new ATOM 0 HA SER A 78 34.924 -21.280 -48.460 1.00 0.00 H new ATOM 0 HB2 SER A 78 32.116 -21.187 -49.690 1.00 0.00 H new ATOM 0 HB3 SER A 78 33.194 -19.815 -49.529 1.00 0.00 H new ATOM 0 HG SER A 78 33.294 -21.979 -51.313 1.00 0.00 H new ATOM 1241 N HIS A 79 32.629 -22.159 -46.453 1.00 0.00 N ATOM 1242 CA HIS A 79 31.976 -21.947 -45.143 1.00 0.00 C ATOM 1243 C HIS A 79 32.261 -23.175 -44.247 1.00 0.00 C ATOM 1244 O HIS A 79 31.430 -24.095 -44.170 1.00 0.00 O ATOM 1245 CB HIS A 79 30.434 -21.726 -45.295 1.00 0.00 C ATOM 1246 CG HIS A 79 30.039 -20.523 -46.110 1.00 0.00 C ATOM 1247 ND1 HIS A 79 29.772 -20.584 -47.463 1.00 0.00 N ATOM 1248 CD2 HIS A 79 29.870 -19.225 -45.761 1.00 0.00 C ATOM 1249 CE1 HIS A 79 29.464 -19.381 -47.904 1.00 0.00 C ATOM 1250 NE2 HIS A 79 29.516 -18.537 -46.895 1.00 0.00 N ATOM 0 H HIS A 79 32.580 -23.125 -46.776 1.00 0.00 H new ATOM 0 HA HIS A 79 32.383 -21.045 -44.686 1.00 0.00 H new ATOM 0 HB2 HIS A 79 29.999 -22.614 -45.752 1.00 0.00 H new ATOM 0 HB3 HIS A 79 29.996 -21.632 -44.301 1.00 0.00 H new ATOM 0 HD1 HIS A 79 29.808 -21.429 -48.033 1.00 0.00 H new ATOM 0 HD2 HIS A 79 29.991 -18.808 -44.772 1.00 0.00 H new ATOM 0 HE1 HIS A 79 29.211 -19.129 -48.923 1.00 0.00 H new ATOM 1259 N PRO A 80 33.474 -23.242 -43.604 1.00 0.00 N ATOM 1260 CA PRO A 80 33.840 -24.365 -42.704 1.00 0.00 C ATOM 1261 C PRO A 80 33.000 -24.365 -41.408 1.00 0.00 C ATOM 1262 O PRO A 80 32.558 -23.309 -40.944 1.00 0.00 O ATOM 1263 CB PRO A 80 35.345 -24.121 -42.420 1.00 0.00 C ATOM 1264 CG PRO A 80 35.521 -22.641 -42.588 1.00 0.00 C ATOM 1265 CD PRO A 80 34.583 -22.247 -43.710 1.00 0.00 C ATOM 0 HA PRO A 80 33.648 -25.341 -43.149 1.00 0.00 H new ATOM 0 HB2 PRO A 80 35.617 -24.442 -41.414 1.00 0.00 H new ATOM 0 HB3 PRO A 80 35.976 -24.677 -43.113 1.00 0.00 H new ATOM 0 HG2 PRO A 80 35.277 -22.110 -41.668 1.00 0.00 H new ATOM 0 HG3 PRO A 80 36.554 -22.394 -42.835 1.00 0.00 H new ATOM 0 HD2 PRO A 80 34.219 -21.227 -43.589 1.00 0.00 H new ATOM 0 HD3 PRO A 80 35.076 -22.297 -44.681 1.00 0.00 H new ATOM 1273 N GLY A 81 32.769 -25.562 -40.851 1.00 0.00 N ATOM 1274 CA GLY A 81 31.988 -25.722 -39.619 1.00 0.00 C ATOM 1275 C GLY A 81 30.577 -26.228 -39.880 1.00 0.00 C ATOM 1276 O GLY A 81 29.926 -26.763 -38.977 1.00 0.00 O ATOM 0 H GLY A 81 33.116 -26.439 -41.239 1.00 0.00 H new ATOM 0 HA2 GLY A 81 32.502 -26.417 -38.956 1.00 0.00 H new ATOM 0 HA3 GLY A 81 31.936 -24.765 -39.100 1.00 0.00 H new ATOM 1280 N ASN A 82 30.099 -26.050 -41.123 1.00 0.00 N ATOM 1281 CA ASN A 82 28.756 -26.495 -41.545 1.00 0.00 C ATOM 1282 C ASN A 82 28.773 -27.998 -41.916 1.00 0.00 C ATOM 1283 O ASN A 82 29.755 -28.460 -42.506 1.00 0.00 O ATOM 1284 CB ASN A 82 28.261 -25.623 -42.734 1.00 0.00 C ATOM 1285 CG ASN A 82 27.974 -24.165 -42.347 1.00 0.00 C ATOM 1286 OD1 ASN A 82 28.262 -23.239 -43.104 1.00 0.00 O ATOM 1287 ND2 ASN A 82 27.375 -23.943 -41.183 1.00 0.00 N ATOM 0 H ASN A 82 30.631 -25.594 -41.865 1.00 0.00 H new ATOM 0 HA ASN A 82 28.060 -26.369 -40.715 1.00 0.00 H new ATOM 0 HB2 ASN A 82 29.012 -25.640 -43.524 1.00 0.00 H new ATOM 0 HB3 ASN A 82 27.355 -26.066 -43.147 1.00 0.00 H new ATOM 0 HD21 ASN A 82 27.145 -22.990 -40.901 1.00 0.00 H new ATOM 0 HD22 ASN A 82 27.145 -24.725 -40.570 1.00 0.00 H new ATOM 1294 N PRO A 83 27.681 -28.778 -41.574 1.00 0.00 N ATOM 1295 CA PRO A 83 27.629 -30.255 -41.780 1.00 0.00 C ATOM 1296 C PRO A 83 27.892 -30.681 -43.245 1.00 0.00 C ATOM 1297 O PRO A 83 27.500 -29.980 -44.183 1.00 0.00 O ATOM 1298 CB PRO A 83 26.196 -30.651 -41.308 1.00 0.00 C ATOM 1299 CG PRO A 83 25.424 -29.372 -41.265 1.00 0.00 C ATOM 1300 CD PRO A 83 26.423 -28.282 -40.958 1.00 0.00 C ATOM 0 HA PRO A 83 28.416 -30.763 -41.223 1.00 0.00 H new ATOM 0 HB2 PRO A 83 25.739 -31.363 -41.995 1.00 0.00 H new ATOM 0 HB3 PRO A 83 26.223 -31.127 -40.328 1.00 0.00 H new ATOM 0 HG2 PRO A 83 24.927 -29.186 -42.217 1.00 0.00 H new ATOM 0 HG3 PRO A 83 24.647 -29.413 -40.502 1.00 0.00 H new ATOM 0 HD2 PRO A 83 26.117 -27.326 -41.384 1.00 0.00 H new ATOM 0 HD3 PRO A 83 26.535 -28.131 -39.884 1.00 0.00 H new ATOM 1308 N ALA A 84 28.545 -31.849 -43.398 1.00 0.00 N ATOM 1309 CA ALA A 84 29.066 -32.345 -44.688 1.00 0.00 C ATOM 1310 C ALA A 84 27.938 -32.739 -45.663 1.00 0.00 C ATOM 1311 O ALA A 84 26.813 -32.987 -45.255 1.00 0.00 O ATOM 1312 CB ALA A 84 30.014 -33.536 -44.449 1.00 0.00 C ATOM 0 H ALA A 84 28.728 -32.483 -42.620 1.00 0.00 H new ATOM 0 HA ALA A 84 29.618 -31.529 -45.155 1.00 0.00 H new ATOM 0 HB1 ALA A 84 30.394 -33.896 -45.405 1.00 0.00 H new ATOM 0 HB2 ALA A 84 30.848 -33.217 -43.824 1.00 0.00 H new ATOM 0 HB3 ALA A 84 29.471 -34.338 -43.949 1.00 0.00 H new ATOM 1318 N ILE A 85 28.267 -32.800 -46.961 1.00 0.00 N ATOM 1319 CA ILE A 85 27.318 -33.217 -48.015 1.00 0.00 C ATOM 1320 C ILE A 85 27.066 -34.740 -47.955 1.00 0.00 C ATOM 1321 O ILE A 85 26.025 -35.235 -48.412 1.00 0.00 O ATOM 1322 CB ILE A 85 27.824 -32.798 -49.444 1.00 0.00 C ATOM 1323 CG1 ILE A 85 26.735 -33.105 -50.522 1.00 0.00 C ATOM 1324 CG2 ILE A 85 29.184 -33.458 -49.789 1.00 0.00 C ATOM 1325 CD1 ILE A 85 27.089 -32.693 -51.927 1.00 0.00 C ATOM 0 H ILE A 85 29.194 -32.563 -47.314 1.00 0.00 H new ATOM 0 HA ILE A 85 26.375 -32.702 -47.830 1.00 0.00 H new ATOM 0 HB ILE A 85 27.995 -31.722 -49.439 1.00 0.00 H new ATOM 0 HG12 ILE A 85 26.531 -34.176 -50.515 1.00 0.00 H new ATOM 0 HG13 ILE A 85 25.811 -32.603 -50.235 1.00 0.00 H new ATOM 0 HG21 ILE A 85 29.499 -33.143 -50.784 1.00 0.00 H new ATOM 0 HG22 ILE A 85 29.932 -33.153 -49.058 1.00 0.00 H new ATOM 0 HG23 ILE A 85 29.078 -34.543 -49.768 1.00 0.00 H new ATOM 0 HD11 ILE A 85 26.270 -32.949 -52.599 1.00 0.00 H new ATOM 0 HD12 ILE A 85 27.261 -31.617 -51.958 1.00 0.00 H new ATOM 0 HD13 ILE A 85 27.993 -33.214 -52.242 1.00 0.00 H new ATOM 1337 N ALA A 86 28.027 -35.469 -47.356 1.00 0.00 N ATOM 1338 CA ALA A 86 27.967 -36.936 -47.206 1.00 0.00 C ATOM 1339 C ALA A 86 26.778 -37.376 -46.322 1.00 0.00 C ATOM 1340 O ALA A 86 26.263 -38.488 -46.476 1.00 0.00 O ATOM 1341 CB ALA A 86 29.297 -37.461 -46.639 1.00 0.00 C ATOM 0 H ALA A 86 28.871 -35.055 -46.961 1.00 0.00 H new ATOM 0 HA ALA A 86 27.807 -37.369 -48.193 1.00 0.00 H new ATOM 0 HB1 ALA A 86 29.244 -38.544 -46.531 1.00 0.00 H new ATOM 0 HB2 ALA A 86 30.109 -37.203 -47.318 1.00 0.00 H new ATOM 0 HB3 ALA A 86 29.481 -37.008 -45.665 1.00 0.00 H new ATOM 1347 N GLU A 87 26.340 -36.487 -45.406 1.00 0.00 N ATOM 1348 CA GLU A 87 25.183 -36.747 -44.520 1.00 0.00 C ATOM 1349 C GLU A 87 23.884 -36.123 -45.083 1.00 0.00 C ATOM 1350 O GLU A 87 22.809 -36.284 -44.497 1.00 0.00 O ATOM 1351 CB GLU A 87 25.490 -36.231 -43.090 1.00 0.00 C ATOM 1352 CG GLU A 87 25.803 -34.733 -42.992 1.00 0.00 C ATOM 1353 CD GLU A 87 26.284 -34.305 -41.598 1.00 0.00 C ATOM 1354 OE1 GLU A 87 25.486 -34.362 -40.634 1.00 0.00 O ATOM 1355 OE2 GLU A 87 27.466 -33.918 -41.438 1.00 0.00 O ATOM 0 H GLU A 87 26.774 -35.575 -45.259 1.00 0.00 H new ATOM 0 HA GLU A 87 25.018 -37.823 -44.472 1.00 0.00 H new ATOM 0 HB2 GLU A 87 24.635 -36.450 -42.450 1.00 0.00 H new ATOM 0 HB3 GLU A 87 26.337 -36.790 -42.693 1.00 0.00 H new ATOM 0 HG2 GLU A 87 26.567 -34.479 -43.727 1.00 0.00 H new ATOM 0 HG3 GLU A 87 24.910 -34.164 -43.252 1.00 0.00 H new ATOM 1362 N PHE A 88 23.993 -35.405 -46.213 1.00 0.00 N ATOM 1363 CA PHE A 88 22.839 -34.777 -46.898 1.00 0.00 C ATOM 1364 C PHE A 88 22.293 -35.734 -47.978 1.00 0.00 C ATOM 1365 O PHE A 88 23.025 -36.118 -48.900 1.00 0.00 O ATOM 1366 CB PHE A 88 23.263 -33.422 -47.539 1.00 0.00 C ATOM 1367 CG PHE A 88 23.554 -32.271 -46.564 1.00 0.00 C ATOM 1368 CD1 PHE A 88 23.615 -30.968 -47.031 1.00 0.00 C ATOM 1369 CD2 PHE A 88 23.776 -32.478 -45.201 1.00 0.00 C ATOM 1370 CE1 PHE A 88 23.886 -29.916 -46.180 1.00 0.00 C ATOM 1371 CE2 PHE A 88 24.048 -31.425 -44.356 1.00 0.00 C ATOM 1372 CZ PHE A 88 24.106 -30.145 -44.847 1.00 0.00 C ATOM 0 H PHE A 88 24.884 -35.240 -46.682 1.00 0.00 H new ATOM 0 HA PHE A 88 22.054 -34.581 -46.167 1.00 0.00 H new ATOM 0 HB2 PHE A 88 24.154 -33.593 -48.143 1.00 0.00 H new ATOM 0 HB3 PHE A 88 22.473 -33.103 -48.219 1.00 0.00 H new ATOM 0 HD1 PHE A 88 23.447 -30.772 -48.080 1.00 0.00 H new ATOM 0 HD2 PHE A 88 23.734 -33.481 -44.803 1.00 0.00 H new ATOM 0 HE1 PHE A 88 23.925 -28.908 -46.566 1.00 0.00 H new ATOM 0 HE2 PHE A 88 24.216 -31.607 -43.305 1.00 0.00 H new ATOM 0 HZ PHE A 88 24.324 -29.320 -44.185 1.00 0.00 H new ATOM 1382 N ASP A 89 21.010 -36.119 -47.851 1.00 0.00 N ATOM 1383 CA ASP A 89 20.365 -37.084 -48.762 1.00 0.00 C ATOM 1384 C ASP A 89 19.677 -36.363 -49.943 1.00 0.00 C ATOM 1385 O ASP A 89 18.579 -35.802 -49.821 1.00 0.00 O ATOM 1386 CB ASP A 89 19.379 -38.024 -47.989 1.00 0.00 C ATOM 1387 CG ASP A 89 18.158 -37.327 -47.370 1.00 0.00 C ATOM 1388 OD1 ASP A 89 17.006 -37.753 -47.635 1.00 0.00 O ATOM 1389 OD2 ASP A 89 18.329 -36.323 -46.638 1.00 0.00 O ATOM 0 H ASP A 89 20.393 -35.772 -47.117 1.00 0.00 H new ATOM 0 HA ASP A 89 21.143 -37.719 -49.185 1.00 0.00 H new ATOM 0 HB2 ASP A 89 19.028 -38.796 -48.673 1.00 0.00 H new ATOM 0 HB3 ASP A 89 19.930 -38.528 -47.195 1.00 0.00 H new ATOM 1394 N TRP A 90 20.382 -36.339 -51.083 1.00 0.00 N ATOM 1395 CA TRP A 90 19.846 -35.860 -52.377 1.00 0.00 C ATOM 1396 C TRP A 90 19.052 -36.983 -53.076 1.00 0.00 C ATOM 1397 O TRP A 90 18.125 -36.723 -53.853 1.00 0.00 O ATOM 1398 CB TRP A 90 21.014 -35.378 -53.281 1.00 0.00 C ATOM 1399 CG TRP A 90 21.781 -34.198 -52.705 1.00 0.00 C ATOM 1400 CD1 TRP A 90 22.848 -34.232 -51.843 1.00 0.00 C ATOM 1401 CD2 TRP A 90 21.517 -32.808 -52.950 1.00 0.00 C ATOM 1402 NE1 TRP A 90 23.252 -32.955 -51.545 1.00 0.00 N ATOM 1403 CE2 TRP A 90 22.451 -32.067 -52.213 1.00 0.00 C ATOM 1404 CE3 TRP A 90 20.574 -32.122 -53.727 1.00 0.00 C ATOM 1405 CZ2 TRP A 90 22.471 -30.677 -52.229 1.00 0.00 C ATOM 1406 CZ3 TRP A 90 20.599 -30.745 -53.737 1.00 0.00 C ATOM 1407 CH2 TRP A 90 21.540 -30.034 -52.991 1.00 0.00 C ATOM 0 H TRP A 90 21.351 -36.654 -51.139 1.00 0.00 H new ATOM 0 HA TRP A 90 19.170 -35.024 -52.196 1.00 0.00 H new ATOM 0 HB2 TRP A 90 21.704 -36.206 -53.441 1.00 0.00 H new ATOM 0 HB3 TRP A 90 20.616 -35.101 -54.257 1.00 0.00 H new ATOM 0 HD1 TRP A 90 23.303 -35.132 -51.456 1.00 0.00 H new ATOM 0 HE1 TRP A 90 24.024 -32.707 -50.926 1.00 0.00 H new ATOM 0 HE3 TRP A 90 19.841 -32.663 -54.307 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 23.201 -30.124 -51.656 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 19.877 -30.206 -54.333 1.00 0.00 H new ATOM 0 HH2 TRP A 90 21.531 -28.954 -53.017 1.00 0.00 H new ATOM 1418 N THR A 91 19.413 -38.238 -52.738 1.00 0.00 N ATOM 1419 CA THR A 91 18.881 -39.459 -53.376 1.00 0.00 C ATOM 1420 C THR A 91 17.506 -39.885 -52.790 1.00 0.00 C ATOM 1421 O THR A 91 17.035 -40.992 -53.061 1.00 0.00 O ATOM 1422 CB THR A 91 19.940 -40.624 -53.274 1.00 0.00 C ATOM 1423 OG1 THR A 91 19.536 -41.762 -54.059 1.00 0.00 O ATOM 1424 CG2 THR A 91 20.190 -41.066 -51.821 1.00 0.00 C ATOM 0 H THR A 91 20.093 -38.434 -52.003 1.00 0.00 H new ATOM 0 HA THR A 91 18.704 -39.235 -54.428 1.00 0.00 H new ATOM 0 HB THR A 91 20.873 -40.223 -53.669 1.00 0.00 H new ATOM 0 HG1 THR A 91 18.563 -41.864 -54.010 1.00 0.00 H new ATOM 0 HG21 THR A 91 20.926 -41.870 -51.807 1.00 0.00 H new ATOM 0 HG22 THR A 91 20.564 -40.221 -51.243 1.00 0.00 H new ATOM 0 HG23 THR A 91 19.257 -41.421 -51.383 1.00 0.00 H new