USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 424 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 78 SER OG : rot 54:sc= 1.09 USER MOD Set 1.2: A 79 HIS : no HD1:sc= 0.99 K(o=2.1,f=-2.6!) USER MOD Set 2.1: A 67 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 68 ASN : amide:sc= -0.182 K(o=-0.18,f=-3.9!) USER MOD Single : A 30 SER OG : rot 35:sc= 0.342 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -120:sc= -0.21 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -179:sc= -0.119 (180deg=-0.126) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -32:sc= 0.337 USER MOD Single : A 70 LYS NZ :NH3+ -167:sc= -0.036 (180deg=-0.197) USER MOD Single : A 71 GLN : amide:sc= -0.12 X(o=-0.12,f=-0.37) USER MOD Single : A 74 GLN : amide:sc=-0.00829 K(o=-0.0083,f=-1.3) USER MOD Single : A 75 TYR OH : rot -93:sc= -2.22! USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= 0.0557 K(o=0.056,f=-3.6!) USER MOD Single : A 91 THR OG1 : rot -37:sc= 0.505 USER MOD ----------------------------------------------------------------- ATOM 429 N VAL A 29 3.892 -28.916 -55.610 1.00 0.00 N ATOM 430 CA VAL A 29 4.155 -29.673 -54.373 1.00 0.00 C ATOM 431 C VAL A 29 5.662 -29.640 -54.038 1.00 0.00 C ATOM 432 O VAL A 29 6.510 -29.827 -54.920 1.00 0.00 O ATOM 433 CB VAL A 29 3.625 -31.162 -54.481 1.00 0.00 C ATOM 434 CG1 VAL A 29 2.071 -31.189 -54.512 1.00 0.00 C ATOM 435 CG2 VAL A 29 4.217 -31.892 -55.722 1.00 0.00 C ATOM 0 HA VAL A 29 3.609 -29.196 -53.559 1.00 0.00 H new ATOM 0 HB VAL A 29 3.962 -31.699 -53.594 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.726 -32.220 -54.586 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.681 -30.741 -53.598 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.714 -30.624 -55.373 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.831 -32.911 -55.763 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.931 -31.359 -56.629 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.304 -31.919 -55.644 1.00 0.00 H new ATOM 445 N SER A 30 5.969 -29.346 -52.766 1.00 0.00 N ATOM 446 CA SER A 30 7.333 -29.377 -52.217 1.00 0.00 C ATOM 447 C SER A 30 7.252 -29.815 -50.748 1.00 0.00 C ATOM 448 O SER A 30 6.682 -29.104 -49.909 1.00 0.00 O ATOM 449 CB SER A 30 8.012 -27.989 -52.354 1.00 0.00 C ATOM 450 OG SER A 30 7.253 -26.960 -51.736 1.00 0.00 O ATOM 0 H SER A 30 5.265 -29.076 -52.079 1.00 0.00 H new ATOM 0 HA SER A 30 7.944 -30.087 -52.775 1.00 0.00 H new ATOM 0 HB2 SER A 30 9.005 -28.026 -51.906 1.00 0.00 H new ATOM 0 HB3 SER A 30 8.147 -27.755 -53.410 1.00 0.00 H new ATOM 0 HG SER A 30 6.812 -27.314 -50.936 1.00 0.00 H new ATOM 456 N VAL A 31 7.797 -31.002 -50.455 1.00 0.00 N ATOM 457 CA VAL A 31 7.780 -31.599 -49.111 1.00 0.00 C ATOM 458 C VAL A 31 9.155 -31.391 -48.466 1.00 0.00 C ATOM 459 O VAL A 31 10.185 -31.639 -49.103 1.00 0.00 O ATOM 460 CB VAL A 31 7.424 -33.137 -49.170 1.00 0.00 C ATOM 461 CG1 VAL A 31 7.364 -33.773 -47.746 1.00 0.00 C ATOM 462 CG2 VAL A 31 6.098 -33.362 -49.951 1.00 0.00 C ATOM 0 H VAL A 31 8.267 -31.582 -51.150 1.00 0.00 H new ATOM 0 HA VAL A 31 7.010 -31.112 -48.513 1.00 0.00 H new ATOM 0 HB VAL A 31 8.225 -33.644 -49.708 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.116 -34.831 -47.830 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.333 -33.665 -47.258 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.601 -33.268 -47.154 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.870 -34.427 -49.981 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.287 -32.831 -49.452 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.206 -32.986 -50.968 1.00 0.00 H new ATOM 472 N GLU A 32 9.164 -30.902 -47.219 1.00 0.00 N ATOM 473 CA GLU A 32 10.398 -30.678 -46.458 1.00 0.00 C ATOM 474 C GLU A 32 10.817 -31.995 -45.787 1.00 0.00 C ATOM 475 O GLU A 32 10.119 -32.512 -44.909 1.00 0.00 O ATOM 476 CB GLU A 32 10.199 -29.539 -45.422 1.00 0.00 C ATOM 477 CG GLU A 32 9.797 -28.191 -46.062 1.00 0.00 C ATOM 478 CD GLU A 32 9.639 -27.044 -45.048 1.00 0.00 C ATOM 479 OE1 GLU A 32 10.476 -26.115 -45.036 1.00 0.00 O ATOM 480 OE2 GLU A 32 8.672 -27.064 -44.258 1.00 0.00 O ATOM 0 H GLU A 32 8.316 -30.651 -46.711 1.00 0.00 H new ATOM 0 HA GLU A 32 11.197 -30.361 -47.129 1.00 0.00 H new ATOM 0 HB2 GLU A 32 9.431 -29.837 -44.708 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.123 -29.404 -44.859 1.00 0.00 H new ATOM 0 HG2 GLU A 32 10.550 -27.911 -46.799 1.00 0.00 H new ATOM 0 HG3 GLU A 32 8.857 -28.320 -46.599 1.00 0.00 H new ATOM 487 N LEU A 33 11.932 -32.555 -46.259 1.00 0.00 N ATOM 488 CA LEU A 33 12.482 -33.849 -45.803 1.00 0.00 C ATOM 489 C LEU A 33 13.500 -33.616 -44.645 1.00 0.00 C ATOM 490 O LEU A 33 13.917 -32.472 -44.431 1.00 0.00 O ATOM 491 CB LEU A 33 13.118 -34.569 -47.047 1.00 0.00 C ATOM 492 CG LEU A 33 12.169 -35.447 -47.927 1.00 0.00 C ATOM 493 CD1 LEU A 33 11.743 -36.722 -47.187 1.00 0.00 C ATOM 494 CD2 LEU A 33 10.949 -34.660 -48.413 1.00 0.00 C ATOM 0 H LEU A 33 12.497 -32.117 -46.987 1.00 0.00 H new ATOM 0 HA LEU A 33 11.703 -34.494 -45.397 1.00 0.00 H new ATOM 0 HB2 LEU A 33 13.563 -33.807 -47.687 1.00 0.00 H new ATOM 0 HB3 LEU A 33 13.931 -35.202 -46.692 1.00 0.00 H new ATOM 0 HG LEU A 33 12.736 -35.744 -48.809 1.00 0.00 H new ATOM 0 HD11 LEU A 33 11.084 -37.310 -47.826 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.626 -37.310 -46.937 1.00 0.00 H new ATOM 0 HD13 LEU A 33 11.216 -36.453 -46.272 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.317 -35.308 -49.020 1.00 0.00 H new ATOM 0 HD22 LEU A 33 10.382 -34.301 -47.554 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.279 -33.810 -49.011 1.00 0.00 H new ATOM 506 N PRO A 34 13.905 -34.692 -43.858 1.00 0.00 N ATOM 507 CA PRO A 34 14.839 -34.546 -42.702 1.00 0.00 C ATOM 508 C PRO A 34 16.217 -33.971 -43.097 1.00 0.00 C ATOM 509 O PRO A 34 16.762 -34.290 -44.164 1.00 0.00 O ATOM 510 CB PRO A 34 14.965 -35.993 -42.139 1.00 0.00 C ATOM 511 CG PRO A 34 14.563 -36.874 -43.279 1.00 0.00 C ATOM 512 CD PRO A 34 13.466 -36.113 -43.988 1.00 0.00 C ATOM 0 HA PRO A 34 14.459 -33.831 -41.972 1.00 0.00 H new ATOM 0 HB2 PRO A 34 15.983 -36.205 -41.813 1.00 0.00 H new ATOM 0 HB3 PRO A 34 14.317 -36.141 -41.275 1.00 0.00 H new ATOM 0 HG2 PRO A 34 15.404 -37.067 -43.945 1.00 0.00 H new ATOM 0 HG3 PRO A 34 14.208 -37.842 -42.925 1.00 0.00 H new ATOM 0 HD2 PRO A 34 13.376 -36.414 -45.032 1.00 0.00 H new ATOM 0 HD3 PRO A 34 12.494 -36.279 -43.523 1.00 0.00 H new ATOM 520 N ALA A 35 16.777 -33.148 -42.194 1.00 0.00 N ATOM 521 CA ALA A 35 17.970 -32.324 -42.459 1.00 0.00 C ATOM 522 C ALA A 35 18.940 -32.325 -41.259 1.00 0.00 C ATOM 523 O ALA A 35 18.559 -32.744 -40.160 1.00 0.00 O ATOM 524 CB ALA A 35 17.513 -30.885 -42.750 1.00 0.00 C ATOM 0 H ALA A 35 16.410 -33.035 -41.249 1.00 0.00 H new ATOM 0 HA ALA A 35 18.502 -32.742 -43.314 1.00 0.00 H new ATOM 0 HB1 ALA A 35 18.384 -30.260 -42.949 1.00 0.00 H new ATOM 0 HB2 ALA A 35 16.857 -30.881 -43.620 1.00 0.00 H new ATOM 0 HB3 ALA A 35 16.974 -30.493 -41.887 1.00 0.00 H new ATOM 530 N PRO A 36 20.226 -31.865 -41.462 1.00 0.00 N ATOM 531 CA PRO A 36 21.115 -31.468 -40.344 1.00 0.00 C ATOM 532 C PRO A 36 20.550 -30.223 -39.605 1.00 0.00 C ATOM 533 O PRO A 36 19.799 -29.437 -40.197 1.00 0.00 O ATOM 534 CB PRO A 36 22.475 -31.171 -41.038 1.00 0.00 C ATOM 535 CG PRO A 36 22.112 -30.864 -42.454 1.00 0.00 C ATOM 536 CD PRO A 36 20.926 -31.746 -42.774 1.00 0.00 C ATOM 0 HA PRO A 36 21.209 -32.236 -39.576 1.00 0.00 H new ATOM 0 HB2 PRO A 36 22.986 -30.331 -40.568 1.00 0.00 H new ATOM 0 HB3 PRO A 36 23.147 -32.027 -40.977 1.00 0.00 H new ATOM 0 HG2 PRO A 36 21.860 -29.810 -42.574 1.00 0.00 H new ATOM 0 HG3 PRO A 36 22.946 -31.070 -43.125 1.00 0.00 H new ATOM 0 HD2 PRO A 36 20.285 -31.299 -43.533 1.00 0.00 H new ATOM 0 HD3 PRO A 36 21.238 -32.719 -43.153 1.00 0.00 H new ATOM 544 N SER A 37 20.944 -30.077 -38.329 1.00 0.00 N ATOM 545 CA SER A 37 20.393 -29.074 -37.387 1.00 0.00 C ATOM 546 C SER A 37 20.539 -27.621 -37.901 1.00 0.00 C ATOM 547 O SER A 37 19.630 -26.796 -37.730 1.00 0.00 O ATOM 548 CB SER A 37 21.083 -29.230 -36.004 1.00 0.00 C ATOM 549 OG SER A 37 20.543 -28.341 -35.037 1.00 0.00 O ATOM 0 H SER A 37 21.668 -30.661 -37.910 1.00 0.00 H new ATOM 0 HA SER A 37 19.323 -29.264 -37.296 1.00 0.00 H new ATOM 0 HB2 SER A 37 20.970 -30.257 -35.656 1.00 0.00 H new ATOM 0 HB3 SER A 37 22.152 -29.045 -36.109 1.00 0.00 H new ATOM 0 HG SER A 37 21.002 -28.471 -34.181 1.00 0.00 H new ATOM 555 N SER A 38 21.678 -27.332 -38.543 1.00 0.00 N ATOM 556 CA SER A 38 22.004 -25.982 -39.053 1.00 0.00 C ATOM 557 C SER A 38 21.258 -25.668 -40.366 1.00 0.00 C ATOM 558 O SER A 38 20.775 -24.545 -40.572 1.00 0.00 O ATOM 559 CB SER A 38 23.530 -25.873 -39.241 1.00 0.00 C ATOM 560 OG SER A 38 24.040 -27.014 -39.914 1.00 0.00 O ATOM 0 H SER A 38 22.404 -28.024 -38.727 1.00 0.00 H new ATOM 0 HA SER A 38 21.672 -25.242 -38.324 1.00 0.00 H new ATOM 0 HB2 SER A 38 23.767 -24.974 -39.810 1.00 0.00 H new ATOM 0 HB3 SER A 38 24.014 -25.772 -38.270 1.00 0.00 H new ATOM 0 HG SER A 38 24.698 -27.464 -39.343 1.00 0.00 H new ATOM 566 N TRP A 39 21.167 -26.676 -41.250 1.00 0.00 N ATOM 567 CA TRP A 39 20.516 -26.542 -42.570 1.00 0.00 C ATOM 568 C TRP A 39 19.037 -26.962 -42.510 1.00 0.00 C ATOM 569 O TRP A 39 18.486 -27.246 -41.439 1.00 0.00 O ATOM 570 CB TRP A 39 21.254 -27.399 -43.636 1.00 0.00 C ATOM 571 CG TRP A 39 22.632 -26.919 -43.997 1.00 0.00 C ATOM 572 CD1 TRP A 39 23.720 -26.815 -43.177 1.00 0.00 C ATOM 573 CD2 TRP A 39 23.072 -26.494 -45.290 1.00 0.00 C ATOM 574 NE1 TRP A 39 24.802 -26.362 -43.885 1.00 0.00 N ATOM 575 CE2 TRP A 39 24.425 -26.169 -45.183 1.00 0.00 C ATOM 576 CE3 TRP A 39 22.443 -26.380 -46.530 1.00 0.00 C ATOM 577 CZ2 TRP A 39 25.164 -25.721 -46.260 1.00 0.00 C ATOM 578 CZ3 TRP A 39 23.179 -25.929 -47.605 1.00 0.00 C ATOM 579 CH2 TRP A 39 24.535 -25.615 -47.467 1.00 0.00 C ATOM 0 H TRP A 39 21.542 -27.608 -41.072 1.00 0.00 H new ATOM 0 HA TRP A 39 20.569 -25.491 -42.853 1.00 0.00 H new ATOM 0 HB2 TRP A 39 21.327 -28.423 -43.269 1.00 0.00 H new ATOM 0 HB3 TRP A 39 20.647 -27.427 -44.541 1.00 0.00 H new ATOM 0 HD1 TRP A 39 23.726 -27.055 -42.124 1.00 0.00 H new ATOM 0 HE1 TRP A 39 25.734 -26.196 -43.505 1.00 0.00 H new ATOM 0 HE3 TRP A 39 21.401 -26.640 -46.645 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 26.207 -25.463 -46.151 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 22.702 -25.817 -48.567 1.00 0.00 H new ATOM 0 HH2 TRP A 39 25.094 -25.283 -48.330 1.00 0.00 H new ATOM 590 N LYS A 40 18.414 -26.974 -43.692 1.00 0.00 N ATOM 591 CA LYS A 40 17.056 -27.466 -43.909 1.00 0.00 C ATOM 592 C LYS A 40 17.033 -28.156 -45.281 1.00 0.00 C ATOM 593 O LYS A 40 17.737 -27.744 -46.202 1.00 0.00 O ATOM 594 CB LYS A 40 16.046 -26.299 -43.816 1.00 0.00 C ATOM 595 CG LYS A 40 14.561 -26.703 -43.898 1.00 0.00 C ATOM 596 CD LYS A 40 13.616 -25.488 -43.785 1.00 0.00 C ATOM 597 CE LYS A 40 13.785 -24.715 -42.462 1.00 0.00 C ATOM 598 NZ LYS A 40 12.850 -23.571 -42.360 1.00 0.00 N ATOM 0 H LYS A 40 18.855 -26.632 -44.546 1.00 0.00 H new ATOM 0 HA LYS A 40 16.763 -28.184 -43.143 1.00 0.00 H new ATOM 0 HB2 LYS A 40 16.211 -25.772 -42.876 1.00 0.00 H new ATOM 0 HB3 LYS A 40 16.258 -25.592 -44.619 1.00 0.00 H new ATOM 0 HG2 LYS A 40 14.378 -27.216 -44.842 1.00 0.00 H new ATOM 0 HG3 LYS A 40 14.335 -27.412 -43.101 1.00 0.00 H new ATOM 0 HD2 LYS A 40 13.800 -24.812 -44.620 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.584 -25.828 -43.872 1.00 0.00 H new ATOM 0 HE2 LYS A 40 13.621 -25.392 -41.624 1.00 0.00 H new ATOM 0 HE3 LYS A 40 14.810 -24.353 -42.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 12.999 -23.080 -41.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 13.023 -22.910 -43.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 11.871 -23.918 -42.409 1.00 0.00 H new ATOM 612 N LYS A 41 16.246 -29.228 -45.394 1.00 0.00 N ATOM 613 CA LYS A 41 16.184 -30.083 -46.591 1.00 0.00 C ATOM 614 C LYS A 41 14.759 -30.076 -47.136 1.00 0.00 C ATOM 615 O LYS A 41 13.797 -30.336 -46.414 1.00 0.00 O ATOM 616 CB LYS A 41 16.686 -31.510 -46.209 1.00 0.00 C ATOM 617 CG LYS A 41 16.284 -32.706 -47.104 1.00 0.00 C ATOM 618 CD LYS A 41 16.643 -32.556 -48.602 1.00 0.00 C ATOM 619 CE LYS A 41 16.716 -33.912 -49.328 1.00 0.00 C ATOM 620 NZ LYS A 41 15.583 -34.808 -49.038 1.00 0.00 N ATOM 0 H LYS A 41 15.623 -29.535 -44.647 1.00 0.00 H new ATOM 0 HA LYS A 41 16.830 -29.710 -47.385 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.775 -31.478 -46.171 1.00 0.00 H new ATOM 0 HB3 LYS A 41 16.338 -31.723 -45.198 1.00 0.00 H new ATOM 0 HG2 LYS A 41 16.765 -33.605 -46.719 1.00 0.00 H new ATOM 0 HG3 LYS A 41 15.208 -32.859 -47.018 1.00 0.00 H new ATOM 0 HD2 LYS A 41 15.899 -31.926 -49.089 1.00 0.00 H new ATOM 0 HD3 LYS A 41 17.602 -32.046 -48.693 1.00 0.00 H new ATOM 0 HE2 LYS A 41 16.761 -33.735 -50.403 1.00 0.00 H new ATOM 0 HE3 LYS A 41 17.643 -34.413 -49.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 15.711 -35.705 -49.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 15.540 -34.994 -48.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 14.697 -34.358 -49.345 1.00 0.00 H new ATOM 634 N LEU A 42 14.660 -29.739 -48.417 1.00 0.00 N ATOM 635 CA LEU A 42 13.420 -29.725 -49.189 1.00 0.00 C ATOM 636 C LEU A 42 13.605 -30.605 -50.433 1.00 0.00 C ATOM 637 O LEU A 42 14.707 -30.724 -50.981 1.00 0.00 O ATOM 638 CB LEU A 42 13.051 -28.248 -49.552 1.00 0.00 C ATOM 639 CG LEU A 42 11.901 -28.012 -50.611 1.00 0.00 C ATOM 640 CD1 LEU A 42 11.078 -26.736 -50.316 1.00 0.00 C ATOM 641 CD2 LEU A 42 12.474 -27.942 -52.044 1.00 0.00 C ATOM 0 H LEU A 42 15.471 -29.457 -48.968 1.00 0.00 H new ATOM 0 HA LEU A 42 12.592 -30.132 -48.609 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.768 -27.738 -48.631 1.00 0.00 H new ATOM 0 HB3 LEU A 42 13.952 -27.759 -49.922 1.00 0.00 H new ATOM 0 HG LEU A 42 11.230 -28.867 -50.532 1.00 0.00 H new ATOM 0 HD11 LEU A 42 10.302 -26.621 -51.073 1.00 0.00 H new ATOM 0 HD12 LEU A 42 10.616 -26.820 -49.332 1.00 0.00 H new ATOM 0 HD13 LEU A 42 11.735 -25.867 -50.335 1.00 0.00 H new ATOM 0 HD21 LEU A 42 11.662 -27.779 -52.753 1.00 0.00 H new ATOM 0 HD22 LEU A 42 13.185 -27.119 -52.112 1.00 0.00 H new ATOM 0 HD23 LEU A 42 12.979 -28.879 -52.280 1.00 0.00 H new ATOM 653 N PHE A 43 12.496 -31.199 -50.864 1.00 0.00 N ATOM 654 CA PHE A 43 12.399 -32.012 -52.070 1.00 0.00 C ATOM 655 C PHE A 43 11.127 -31.605 -52.823 1.00 0.00 C ATOM 656 O PHE A 43 10.084 -31.411 -52.202 1.00 0.00 O ATOM 657 CB PHE A 43 12.359 -33.507 -51.662 1.00 0.00 C ATOM 658 CG PHE A 43 12.055 -34.481 -52.801 1.00 0.00 C ATOM 659 CD1 PHE A 43 12.876 -34.551 -53.926 1.00 0.00 C ATOM 660 CD2 PHE A 43 10.946 -35.330 -52.742 1.00 0.00 C ATOM 661 CE1 PHE A 43 12.593 -35.429 -54.953 1.00 0.00 C ATOM 662 CE2 PHE A 43 10.670 -36.207 -53.769 1.00 0.00 C ATOM 663 CZ PHE A 43 11.490 -36.255 -54.874 1.00 0.00 C ATOM 0 H PHE A 43 11.610 -31.124 -50.365 1.00 0.00 H new ATOM 0 HA PHE A 43 13.258 -31.858 -52.723 1.00 0.00 H new ATOM 0 HB2 PHE A 43 13.320 -33.774 -51.223 1.00 0.00 H new ATOM 0 HB3 PHE A 43 11.607 -33.636 -50.884 1.00 0.00 H new ATOM 0 HD1 PHE A 43 13.743 -33.911 -53.995 1.00 0.00 H new ATOM 0 HD2 PHE A 43 10.296 -35.298 -51.880 1.00 0.00 H new ATOM 0 HE1 PHE A 43 13.236 -35.470 -55.820 1.00 0.00 H new ATOM 0 HE2 PHE A 43 9.810 -36.857 -53.707 1.00 0.00 H new ATOM 0 HZ PHE A 43 11.270 -36.940 -55.680 1.00 0.00 H new ATOM 673 N TYR A 44 11.232 -31.444 -54.151 1.00 0.00 N ATOM 674 CA TYR A 44 10.056 -31.261 -55.031 1.00 0.00 C ATOM 675 C TYR A 44 9.655 -32.630 -55.635 1.00 0.00 C ATOM 676 O TYR A 44 10.352 -33.128 -56.530 1.00 0.00 O ATOM 677 CB TYR A 44 10.348 -30.246 -56.170 1.00 0.00 C ATOM 678 CG TYR A 44 10.218 -28.765 -55.799 1.00 0.00 C ATOM 679 CD1 TYR A 44 11.303 -28.049 -55.298 1.00 0.00 C ATOM 680 CD2 TYR A 44 9.015 -28.074 -55.977 1.00 0.00 C ATOM 681 CE1 TYR A 44 11.191 -26.707 -54.986 1.00 0.00 C ATOM 682 CE2 TYR A 44 8.904 -26.733 -55.662 1.00 0.00 C ATOM 683 CZ TYR A 44 9.994 -26.055 -55.166 1.00 0.00 C ATOM 684 OH TYR A 44 9.897 -24.717 -54.850 1.00 0.00 O ATOM 0 H TYR A 44 12.124 -31.436 -54.646 1.00 0.00 H new ATOM 0 HA TYR A 44 9.237 -30.861 -54.433 1.00 0.00 H new ATOM 0 HB2 TYR A 44 11.360 -30.421 -56.535 1.00 0.00 H new ATOM 0 HB3 TYR A 44 9.670 -30.454 -56.998 1.00 0.00 H new ATOM 0 HD1 TYR A 44 12.248 -28.551 -55.151 1.00 0.00 H new ATOM 0 HD2 TYR A 44 8.156 -28.599 -56.368 1.00 0.00 H new ATOM 0 HE1 TYR A 44 12.045 -26.170 -54.600 1.00 0.00 H new ATOM 0 HE2 TYR A 44 7.965 -26.219 -55.805 1.00 0.00 H new ATOM 0 HH TYR A 44 8.987 -24.402 -55.035 1.00 0.00 H new ATOM 694 N PRO A 45 8.560 -33.282 -55.133 1.00 0.00 N ATOM 695 CA PRO A 45 7.982 -34.481 -55.773 1.00 0.00 C ATOM 696 C PRO A 45 7.023 -34.100 -56.919 1.00 0.00 C ATOM 697 O PRO A 45 7.072 -32.981 -57.453 1.00 0.00 O ATOM 698 CB PRO A 45 7.242 -35.161 -54.582 1.00 0.00 C ATOM 699 CG PRO A 45 6.753 -34.011 -53.752 1.00 0.00 C ATOM 700 CD PRO A 45 7.811 -32.921 -53.895 1.00 0.00 C ATOM 0 HA PRO A 45 8.718 -35.130 -56.247 1.00 0.00 H new ATOM 0 HB2 PRO A 45 6.416 -35.783 -54.928 1.00 0.00 H new ATOM 0 HB3 PRO A 45 7.911 -35.807 -54.014 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.781 -33.662 -54.101 1.00 0.00 H new ATOM 0 HG3 PRO A 45 6.631 -34.304 -52.709 1.00 0.00 H new ATOM 0 HD2 PRO A 45 7.355 -31.935 -53.981 1.00 0.00 H new ATOM 0 HD3 PRO A 45 8.470 -32.892 -53.027 1.00 0.00 H new ATOM 852 N GLU A 55 14.405 -30.546 -58.782 1.00 0.00 N ATOM 853 CA GLU A 55 15.357 -31.332 -57.976 1.00 0.00 C ATOM 854 C GLU A 55 15.332 -30.899 -56.481 1.00 0.00 C ATOM 855 O GLU A 55 14.447 -30.143 -56.041 1.00 0.00 O ATOM 856 CB GLU A 55 16.804 -31.249 -58.581 1.00 0.00 C ATOM 857 CG GLU A 55 17.328 -29.826 -58.923 1.00 0.00 C ATOM 858 CD GLU A 55 16.898 -29.329 -60.323 1.00 0.00 C ATOM 859 OE1 GLU A 55 16.003 -28.470 -60.429 1.00 0.00 O ATOM 860 OE2 GLU A 55 17.424 -29.856 -61.325 1.00 0.00 O ATOM 0 HA GLU A 55 15.044 -32.375 -58.010 1.00 0.00 H new ATOM 0 HB2 GLU A 55 17.496 -31.708 -57.875 1.00 0.00 H new ATOM 0 HB3 GLU A 55 16.830 -31.850 -59.490 1.00 0.00 H new ATOM 0 HG2 GLU A 55 16.967 -29.124 -58.171 1.00 0.00 H new ATOM 0 HG3 GLU A 55 18.416 -29.825 -58.864 1.00 0.00 H new ATOM 867 N VAL A 56 16.313 -31.400 -55.712 1.00 0.00 N ATOM 868 CA VAL A 56 16.422 -31.178 -54.264 1.00 0.00 C ATOM 869 C VAL A 56 17.074 -29.810 -53.977 1.00 0.00 C ATOM 870 O VAL A 56 18.078 -29.445 -54.599 1.00 0.00 O ATOM 871 CB VAL A 56 17.279 -32.331 -53.613 1.00 0.00 C ATOM 872 CG1 VAL A 56 17.686 -32.015 -52.151 1.00 0.00 C ATOM 873 CG2 VAL A 56 16.545 -33.695 -53.712 1.00 0.00 C ATOM 0 H VAL A 56 17.064 -31.980 -56.087 1.00 0.00 H new ATOM 0 HA VAL A 56 15.422 -31.183 -53.830 1.00 0.00 H new ATOM 0 HB VAL A 56 18.204 -32.400 -54.186 1.00 0.00 H new ATOM 0 HG11 VAL A 56 18.274 -32.841 -51.750 1.00 0.00 H new ATOM 0 HG12 VAL A 56 18.280 -31.102 -52.128 1.00 0.00 H new ATOM 0 HG13 VAL A 56 16.790 -31.880 -51.545 1.00 0.00 H new ATOM 0 HG21 VAL A 56 17.158 -34.472 -53.256 1.00 0.00 H new ATOM 0 HG22 VAL A 56 15.590 -33.633 -53.190 1.00 0.00 H new ATOM 0 HG23 VAL A 56 16.371 -33.939 -54.760 1.00 0.00 H new ATOM 883 N VAL A 57 16.478 -29.064 -53.027 1.00 0.00 N ATOM 884 CA VAL A 57 16.975 -27.754 -52.577 1.00 0.00 C ATOM 885 C VAL A 57 17.277 -27.826 -51.069 1.00 0.00 C ATOM 886 O VAL A 57 16.403 -28.181 -50.275 1.00 0.00 O ATOM 887 CB VAL A 57 15.925 -26.607 -52.860 1.00 0.00 C ATOM 888 CG1 VAL A 57 16.412 -25.231 -52.310 1.00 0.00 C ATOM 889 CG2 VAL A 57 15.577 -26.529 -54.378 1.00 0.00 C ATOM 0 H VAL A 57 15.628 -29.360 -52.546 1.00 0.00 H new ATOM 0 HA VAL A 57 17.882 -27.516 -53.133 1.00 0.00 H new ATOM 0 HB VAL A 57 15.010 -26.858 -52.323 1.00 0.00 H new ATOM 0 HG11 VAL A 57 15.663 -24.468 -52.524 1.00 0.00 H new ATOM 0 HG12 VAL A 57 16.560 -25.302 -51.232 1.00 0.00 H new ATOM 0 HG13 VAL A 57 17.353 -24.960 -52.789 1.00 0.00 H new ATOM 0 HG21 VAL A 57 14.853 -25.732 -54.545 1.00 0.00 H new ATOM 0 HG22 VAL A 57 16.482 -26.322 -54.949 1.00 0.00 H new ATOM 0 HG23 VAL A 57 15.152 -27.479 -54.703 1.00 0.00 H new ATOM 899 N PHE A 58 18.527 -27.524 -50.695 1.00 0.00 N ATOM 900 CA PHE A 58 18.945 -27.382 -49.292 1.00 0.00 C ATOM 901 C PHE A 58 18.954 -25.902 -48.899 1.00 0.00 C ATOM 902 O PHE A 58 19.676 -25.109 -49.499 1.00 0.00 O ATOM 903 CB PHE A 58 20.355 -28.000 -49.067 1.00 0.00 C ATOM 904 CG PHE A 58 20.337 -29.495 -48.800 1.00 0.00 C ATOM 905 CD1 PHE A 58 20.453 -30.421 -49.831 1.00 0.00 C ATOM 906 CD2 PHE A 58 20.197 -29.974 -47.493 1.00 0.00 C ATOM 907 CE1 PHE A 58 20.426 -31.774 -49.566 1.00 0.00 C ATOM 908 CE2 PHE A 58 20.172 -31.327 -47.233 1.00 0.00 C ATOM 909 CZ PHE A 58 20.288 -32.224 -48.268 1.00 0.00 C ATOM 0 H PHE A 58 19.283 -27.370 -51.362 1.00 0.00 H new ATOM 0 HA PHE A 58 18.233 -27.918 -48.665 1.00 0.00 H new ATOM 0 HB2 PHE A 58 20.970 -27.805 -49.945 1.00 0.00 H new ATOM 0 HB3 PHE A 58 20.831 -27.496 -48.226 1.00 0.00 H new ATOM 0 HD1 PHE A 58 20.565 -30.077 -50.849 1.00 0.00 H new ATOM 0 HD2 PHE A 58 20.107 -29.273 -46.676 1.00 0.00 H new ATOM 0 HE1 PHE A 58 20.513 -32.483 -50.376 1.00 0.00 H new ATOM 0 HE2 PHE A 58 20.062 -31.682 -46.219 1.00 0.00 H new ATOM 0 HZ PHE A 58 20.271 -33.285 -48.065 1.00 0.00 H new ATOM 919 N VAL A 59 18.168 -25.544 -47.877 1.00 0.00 N ATOM 920 CA VAL A 59 18.198 -24.205 -47.283 1.00 0.00 C ATOM 921 C VAL A 59 19.401 -24.113 -46.333 1.00 0.00 C ATOM 922 O VAL A 59 19.604 -24.981 -45.478 1.00 0.00 O ATOM 923 CB VAL A 59 16.850 -23.874 -46.531 1.00 0.00 C ATOM 924 CG1 VAL A 59 17.010 -22.711 -45.506 1.00 0.00 C ATOM 925 CG2 VAL A 59 15.729 -23.563 -47.548 1.00 0.00 C ATOM 0 H VAL A 59 17.495 -26.174 -47.440 1.00 0.00 H new ATOM 0 HA VAL A 59 18.303 -23.464 -48.076 1.00 0.00 H new ATOM 0 HB VAL A 59 16.573 -24.759 -45.959 1.00 0.00 H new ATOM 0 HG11 VAL A 59 16.054 -22.523 -45.017 1.00 0.00 H new ATOM 0 HG12 VAL A 59 17.753 -22.985 -44.758 1.00 0.00 H new ATOM 0 HG13 VAL A 59 17.334 -21.810 -46.026 1.00 0.00 H new ATOM 0 HG21 VAL A 59 14.806 -23.337 -47.014 1.00 0.00 H new ATOM 0 HG22 VAL A 59 16.017 -22.705 -48.155 1.00 0.00 H new ATOM 0 HG23 VAL A 59 15.573 -24.428 -48.193 1.00 0.00 H new ATOM 935 N ALA A 60 20.183 -23.045 -46.517 1.00 0.00 N ATOM 936 CA ALA A 60 21.433 -22.806 -45.782 1.00 0.00 C ATOM 937 C ALA A 60 21.153 -22.127 -44.426 1.00 0.00 C ATOM 938 O ALA A 60 20.105 -21.482 -44.276 1.00 0.00 O ATOM 939 CB ALA A 60 22.383 -21.948 -46.635 1.00 0.00 C ATOM 0 H ALA A 60 19.964 -22.310 -47.190 1.00 0.00 H new ATOM 0 HA ALA A 60 21.909 -23.766 -45.581 1.00 0.00 H new ATOM 0 HB1 ALA A 60 23.308 -21.774 -46.086 1.00 0.00 H new ATOM 0 HB2 ALA A 60 22.607 -22.469 -47.566 1.00 0.00 H new ATOM 0 HB3 ALA A 60 21.908 -20.993 -46.859 1.00 0.00 H new ATOM 945 N PRO A 61 22.097 -22.230 -43.433 1.00 0.00 N ATOM 946 CA PRO A 61 21.967 -21.546 -42.115 1.00 0.00 C ATOM 947 C PRO A 61 21.963 -19.998 -42.230 1.00 0.00 C ATOM 948 O PRO A 61 21.430 -19.305 -41.357 1.00 0.00 O ATOM 949 CB PRO A 61 23.219 -22.046 -41.330 1.00 0.00 C ATOM 950 CG PRO A 61 24.193 -22.467 -42.388 1.00 0.00 C ATOM 951 CD PRO A 61 23.341 -23.055 -43.487 1.00 0.00 C ATOM 0 HA PRO A 61 21.020 -21.779 -41.629 1.00 0.00 H new ATOM 0 HB2 PRO A 61 23.633 -21.257 -40.703 1.00 0.00 H new ATOM 0 HB3 PRO A 61 22.967 -22.877 -40.672 1.00 0.00 H new ATOM 0 HG2 PRO A 61 24.775 -21.619 -42.750 1.00 0.00 H new ATOM 0 HG3 PRO A 61 24.903 -23.199 -42.003 1.00 0.00 H new ATOM 0 HD2 PRO A 61 23.830 -22.983 -44.458 1.00 0.00 H new ATOM 0 HD3 PRO A 61 23.132 -24.111 -43.313 1.00 0.00 H new ATOM 959 N THR A 62 22.584 -19.474 -43.304 1.00 0.00 N ATOM 960 CA THR A 62 22.632 -18.022 -43.593 1.00 0.00 C ATOM 961 C THR A 62 21.538 -17.616 -44.614 1.00 0.00 C ATOM 962 O THR A 62 21.386 -16.426 -44.931 1.00 0.00 O ATOM 963 CB THR A 62 24.060 -17.608 -44.100 1.00 0.00 C ATOM 964 OG1 THR A 62 24.173 -16.176 -44.180 1.00 0.00 O ATOM 965 CG2 THR A 62 24.405 -18.224 -45.467 1.00 0.00 C ATOM 0 H THR A 62 23.068 -20.043 -43.998 1.00 0.00 H new ATOM 0 HA THR A 62 22.430 -17.486 -42.666 1.00 0.00 H new ATOM 0 HB THR A 62 24.771 -17.997 -43.371 1.00 0.00 H new ATOM 0 HG1 THR A 62 23.300 -15.791 -44.403 1.00 0.00 H new ATOM 0 HG21 THR A 62 25.403 -17.905 -45.769 1.00 0.00 H new ATOM 0 HG22 THR A 62 24.379 -19.311 -45.393 1.00 0.00 H new ATOM 0 HG23 THR A 62 23.678 -17.893 -46.209 1.00 0.00 H new ATOM 973 N GLY A 63 20.783 -18.614 -45.132 1.00 0.00 N ATOM 974 CA GLY A 63 19.701 -18.370 -46.100 1.00 0.00 C ATOM 975 C GLY A 63 20.146 -18.502 -47.557 1.00 0.00 C ATOM 976 O GLY A 63 19.297 -18.560 -48.454 1.00 0.00 O ATOM 0 H GLY A 63 20.909 -19.597 -44.891 1.00 0.00 H new ATOM 0 HA2 GLY A 63 18.890 -19.073 -45.911 1.00 0.00 H new ATOM 0 HA3 GLY A 63 19.300 -17.369 -45.940 1.00 0.00 H new ATOM 980 N GLU A 64 21.480 -18.551 -47.788 1.00 0.00 N ATOM 981 CA GLU A 64 22.082 -18.702 -49.137 1.00 0.00 C ATOM 982 C GLU A 64 21.899 -20.153 -49.631 1.00 0.00 C ATOM 983 O GLU A 64 22.812 -20.989 -49.553 1.00 0.00 O ATOM 984 CB GLU A 64 23.582 -18.276 -49.100 1.00 0.00 C ATOM 985 CG GLU A 64 24.338 -18.357 -50.445 1.00 0.00 C ATOM 986 CD GLU A 64 25.773 -17.814 -50.356 1.00 0.00 C ATOM 987 OE1 GLU A 64 26.045 -16.708 -50.872 1.00 0.00 O ATOM 988 OE2 GLU A 64 26.643 -18.487 -49.757 1.00 0.00 O ATOM 0 H GLU A 64 22.172 -18.487 -47.042 1.00 0.00 H new ATOM 0 HA GLU A 64 21.575 -18.047 -49.846 1.00 0.00 H new ATOM 0 HB2 GLU A 64 23.640 -17.251 -48.734 1.00 0.00 H new ATOM 0 HB3 GLU A 64 24.100 -18.904 -48.375 1.00 0.00 H new ATOM 0 HG2 GLU A 64 24.367 -19.394 -50.778 1.00 0.00 H new ATOM 0 HG3 GLU A 64 23.788 -17.795 -51.200 1.00 0.00 H new ATOM 995 N GLU A 65 20.668 -20.442 -50.087 1.00 0.00 N ATOM 996 CA GLU A 65 20.210 -21.805 -50.406 1.00 0.00 C ATOM 997 C GLU A 65 20.942 -22.395 -51.625 1.00 0.00 C ATOM 998 O GLU A 65 21.487 -21.671 -52.470 1.00 0.00 O ATOM 999 CB GLU A 65 18.670 -21.812 -50.621 1.00 0.00 C ATOM 1000 CG GLU A 65 18.171 -20.863 -51.739 1.00 0.00 C ATOM 1001 CD GLU A 65 16.640 -20.863 -51.914 1.00 0.00 C ATOM 1002 OE1 GLU A 65 16.120 -21.680 -52.708 1.00 0.00 O ATOM 1003 OE2 GLU A 65 15.952 -20.038 -51.274 1.00 0.00 O ATOM 0 H GLU A 65 19.956 -19.729 -50.246 1.00 0.00 H new ATOM 0 HA GLU A 65 20.453 -22.445 -49.557 1.00 0.00 H new ATOM 0 HB2 GLU A 65 18.354 -22.828 -50.857 1.00 0.00 H new ATOM 0 HB3 GLU A 65 18.184 -21.536 -49.685 1.00 0.00 H new ATOM 0 HG2 GLU A 65 18.502 -19.849 -51.517 1.00 0.00 H new ATOM 0 HG3 GLU A 65 18.636 -21.151 -52.682 1.00 0.00 H new ATOM 1010 N ILE A 66 20.920 -23.728 -51.691 1.00 0.00 N ATOM 1011 CA ILE A 66 21.670 -24.535 -52.649 1.00 0.00 C ATOM 1012 C ILE A 66 20.680 -25.384 -53.469 1.00 0.00 C ATOM 1013 O ILE A 66 19.803 -26.030 -52.894 1.00 0.00 O ATOM 1014 CB ILE A 66 22.685 -25.473 -51.893 1.00 0.00 C ATOM 1015 CG1 ILE A 66 23.645 -24.661 -50.952 1.00 0.00 C ATOM 1016 CG2 ILE A 66 23.472 -26.339 -52.891 1.00 0.00 C ATOM 1017 CD1 ILE A 66 24.498 -23.606 -51.630 1.00 0.00 C ATOM 0 H ILE A 66 20.358 -24.293 -51.054 1.00 0.00 H new ATOM 0 HA ILE A 66 22.234 -23.881 -53.314 1.00 0.00 H new ATOM 0 HB ILE A 66 22.106 -26.138 -51.252 1.00 0.00 H new ATOM 0 HG12 ILE A 66 23.044 -24.176 -50.183 1.00 0.00 H new ATOM 0 HG13 ILE A 66 24.306 -25.364 -50.444 1.00 0.00 H new ATOM 0 HG21 ILE A 66 24.167 -26.979 -52.348 1.00 0.00 H new ATOM 0 HG22 ILE A 66 22.779 -26.957 -53.461 1.00 0.00 H new ATOM 0 HG23 ILE A 66 24.028 -25.695 -53.572 1.00 0.00 H new ATOM 0 HD11 ILE A 66 25.121 -23.109 -50.886 1.00 0.00 H new ATOM 0 HD12 ILE A 66 25.134 -24.078 -52.379 1.00 0.00 H new ATOM 0 HD13 ILE A 66 23.853 -22.872 -52.113 1.00 0.00 H new ATOM 1029 N SER A 67 20.832 -25.365 -54.802 1.00 0.00 N ATOM 1030 CA SER A 67 19.982 -26.134 -55.745 1.00 0.00 C ATOM 1031 C SER A 67 20.721 -27.354 -56.331 1.00 0.00 C ATOM 1032 O SER A 67 20.079 -28.279 -56.849 1.00 0.00 O ATOM 1033 CB SER A 67 19.522 -25.187 -56.881 1.00 0.00 C ATOM 1034 OG SER A 67 20.628 -24.500 -57.453 1.00 0.00 O ATOM 0 H SER A 67 21.553 -24.813 -55.267 1.00 0.00 H new ATOM 0 HA SER A 67 19.121 -26.520 -55.200 1.00 0.00 H new ATOM 0 HB2 SER A 67 19.008 -25.761 -57.652 1.00 0.00 H new ATOM 0 HB3 SER A 67 18.805 -24.466 -56.490 1.00 0.00 H new ATOM 0 HG SER A 67 20.312 -23.910 -58.169 1.00 0.00 H new ATOM 1040 N ASN A 68 22.065 -27.363 -56.239 1.00 0.00 N ATOM 1041 CA ASN A 68 22.902 -28.401 -56.888 1.00 0.00 C ATOM 1042 C ASN A 68 24.114 -28.763 -56.017 1.00 0.00 C ATOM 1043 O ASN A 68 24.571 -27.947 -55.216 1.00 0.00 O ATOM 1044 CB ASN A 68 23.359 -27.927 -58.293 1.00 0.00 C ATOM 1045 CG ASN A 68 24.254 -26.689 -58.250 1.00 0.00 C ATOM 1046 OD1 ASN A 68 25.472 -26.791 -58.153 1.00 0.00 O ATOM 1047 ND2 ASN A 68 23.657 -25.515 -58.310 1.00 0.00 N ATOM 0 H ASN A 68 22.598 -26.664 -55.722 1.00 0.00 H new ATOM 0 HA ASN A 68 22.296 -29.299 -57.004 1.00 0.00 H new ATOM 0 HB2 ASN A 68 23.895 -28.738 -58.786 1.00 0.00 H new ATOM 0 HB3 ASN A 68 22.480 -27.711 -58.900 1.00 0.00 H new ATOM 0 HD21 ASN A 68 24.211 -24.659 -58.276 1.00 0.00 H new ATOM 0 HD22 ASN A 68 22.642 -25.463 -58.391 1.00 0.00 H new ATOM 1054 N ARG A 69 24.661 -29.973 -56.243 1.00 0.00 N ATOM 1055 CA ARG A 69 25.714 -30.576 -55.393 1.00 0.00 C ATOM 1056 C ARG A 69 27.024 -29.754 -55.408 1.00 0.00 C ATOM 1057 O ARG A 69 27.761 -29.738 -54.421 1.00 0.00 O ATOM 1058 CB ARG A 69 26.020 -32.020 -55.861 1.00 0.00 C ATOM 1059 CG ARG A 69 26.774 -32.883 -54.814 1.00 0.00 C ATOM 1060 CD ARG A 69 27.599 -34.025 -55.420 1.00 0.00 C ATOM 1061 NE ARG A 69 28.802 -33.517 -56.108 1.00 0.00 N ATOM 1062 CZ ARG A 69 29.624 -34.231 -56.887 1.00 0.00 C ATOM 1063 NH1 ARG A 69 29.355 -35.496 -57.193 1.00 0.00 N ATOM 1064 NH2 ARG A 69 30.725 -33.662 -57.353 1.00 0.00 N ATOM 0 H ARG A 69 24.385 -30.566 -57.025 1.00 0.00 H new ATOM 0 HA ARG A 69 25.330 -30.583 -54.373 1.00 0.00 H new ATOM 0 HB2 ARG A 69 25.082 -32.514 -56.114 1.00 0.00 H new ATOM 0 HB3 ARG A 69 26.614 -31.976 -56.774 1.00 0.00 H new ATOM 0 HG2 ARG A 69 27.436 -32.238 -54.236 1.00 0.00 H new ATOM 0 HG3 ARG A 69 26.050 -33.303 -54.116 1.00 0.00 H new ATOM 0 HD2 ARG A 69 27.894 -34.719 -54.633 1.00 0.00 H new ATOM 0 HD3 ARG A 69 26.985 -34.585 -56.125 1.00 0.00 H new ATOM 0 HE ARG A 69 29.028 -32.531 -55.978 1.00 0.00 H new ATOM 0 HH11 ARG A 69 28.510 -35.939 -56.833 1.00 0.00 H new ATOM 0 HH12 ARG A 69 29.994 -36.024 -57.788 1.00 0.00 H new ATOM 0 HH21 ARG A 69 30.937 -32.693 -57.117 1.00 0.00 H new ATOM 0 HH22 ARG A 69 31.361 -34.193 -57.948 1.00 0.00 H new ATOM 1078 N LYS A 70 27.287 -29.082 -56.547 1.00 0.00 N ATOM 1079 CA LYS A 70 28.496 -28.247 -56.752 1.00 0.00 C ATOM 1080 C LYS A 70 28.518 -27.126 -55.700 1.00 0.00 C ATOM 1081 O LYS A 70 29.482 -26.992 -54.936 1.00 0.00 O ATOM 1082 CB LYS A 70 28.514 -27.652 -58.208 1.00 0.00 C ATOM 1083 CG LYS A 70 29.911 -27.235 -58.770 1.00 0.00 C ATOM 1084 CD LYS A 70 30.554 -26.013 -58.052 1.00 0.00 C ATOM 1085 CE LYS A 70 31.964 -25.680 -58.564 1.00 0.00 C ATOM 1086 NZ LYS A 70 32.894 -26.834 -58.420 1.00 0.00 N ATOM 0 H LYS A 70 26.666 -29.101 -57.356 1.00 0.00 H new ATOM 0 HA LYS A 70 29.388 -28.862 -56.635 1.00 0.00 H new ATOM 0 HB2 LYS A 70 28.080 -28.389 -58.884 1.00 0.00 H new ATOM 0 HB3 LYS A 70 27.863 -26.778 -58.228 1.00 0.00 H new ATOM 0 HG2 LYS A 70 30.589 -28.085 -58.692 1.00 0.00 H new ATOM 0 HG3 LYS A 70 29.809 -27.005 -59.831 1.00 0.00 H new ATOM 0 HD2 LYS A 70 29.912 -25.143 -58.185 1.00 0.00 H new ATOM 0 HD3 LYS A 70 30.601 -26.213 -56.982 1.00 0.00 H new ATOM 0 HE2 LYS A 70 31.910 -25.386 -59.612 1.00 0.00 H new ATOM 0 HE3 LYS A 70 32.358 -24.826 -58.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 33.872 -26.512 -58.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 32.801 -27.238 -57.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 32.660 -27.559 -59.128 1.00 0.00 H new ATOM 1100 N GLN A 71 27.409 -26.360 -55.660 1.00 0.00 N ATOM 1101 CA GLN A 71 27.244 -25.204 -54.759 1.00 0.00 C ATOM 1102 C GLN A 71 27.251 -25.630 -53.289 1.00 0.00 C ATOM 1103 O GLN A 71 27.619 -24.837 -52.428 1.00 0.00 O ATOM 1104 CB GLN A 71 25.952 -24.421 -55.097 1.00 0.00 C ATOM 1105 CG GLN A 71 25.987 -23.728 -56.472 1.00 0.00 C ATOM 1106 CD GLN A 71 27.086 -22.662 -56.599 1.00 0.00 C ATOM 1107 OE1 GLN A 71 27.438 -21.985 -55.631 1.00 0.00 O ATOM 1108 NE2 GLN A 71 27.637 -22.502 -57.793 1.00 0.00 N ATOM 0 H GLN A 71 26.598 -26.528 -56.256 1.00 0.00 H new ATOM 0 HA GLN A 71 28.097 -24.543 -54.915 1.00 0.00 H new ATOM 0 HB2 GLN A 71 25.105 -25.106 -55.067 1.00 0.00 H new ATOM 0 HB3 GLN A 71 25.781 -23.670 -54.326 1.00 0.00 H new ATOM 0 HG2 GLN A 71 26.134 -24.482 -57.245 1.00 0.00 H new ATOM 0 HG3 GLN A 71 25.019 -23.263 -56.659 1.00 0.00 H new ATOM 0 HE21 GLN A 71 27.328 -23.075 -58.578 1.00 0.00 H new ATOM 0 HE22 GLN A 71 28.370 -21.806 -57.927 1.00 0.00 H new ATOM 1117 N LEU A 72 26.871 -26.894 -53.029 1.00 0.00 N ATOM 1118 CA LEU A 72 26.888 -27.488 -51.677 1.00 0.00 C ATOM 1119 C LEU A 72 28.355 -27.609 -51.194 1.00 0.00 C ATOM 1120 O LEU A 72 28.721 -27.055 -50.162 1.00 0.00 O ATOM 1121 CB LEU A 72 26.174 -28.890 -51.698 1.00 0.00 C ATOM 1122 CG LEU A 72 25.500 -29.384 -50.372 1.00 0.00 C ATOM 1123 CD1 LEU A 72 26.498 -29.534 -49.213 1.00 0.00 C ATOM 1124 CD2 LEU A 72 24.320 -28.476 -49.991 1.00 0.00 C ATOM 0 H LEU A 72 26.542 -27.535 -53.751 1.00 0.00 H new ATOM 0 HA LEU A 72 26.345 -26.849 -50.981 1.00 0.00 H new ATOM 0 HB2 LEU A 72 25.409 -28.865 -52.474 1.00 0.00 H new ATOM 0 HB3 LEU A 72 26.909 -29.636 -51.999 1.00 0.00 H new ATOM 0 HG LEU A 72 25.114 -30.385 -50.565 1.00 0.00 H new ATOM 0 HD11 LEU A 72 25.972 -29.879 -48.323 1.00 0.00 H new ATOM 0 HD12 LEU A 72 27.265 -30.259 -49.485 1.00 0.00 H new ATOM 0 HD13 LEU A 72 26.965 -28.571 -49.008 1.00 0.00 H new ATOM 0 HD21 LEU A 72 23.867 -28.837 -49.068 1.00 0.00 H new ATOM 0 HD22 LEU A 72 24.678 -27.457 -49.845 1.00 0.00 H new ATOM 0 HD23 LEU A 72 23.578 -28.490 -50.789 1.00 0.00 H new ATOM 1136 N GLU A 73 29.176 -28.318 -51.997 1.00 0.00 N ATOM 1137 CA GLU A 73 30.600 -28.612 -51.692 1.00 0.00 C ATOM 1138 C GLU A 73 31.421 -27.321 -51.503 1.00 0.00 C ATOM 1139 O GLU A 73 32.140 -27.160 -50.501 1.00 0.00 O ATOM 1140 CB GLU A 73 31.203 -29.458 -52.848 1.00 0.00 C ATOM 1141 CG GLU A 73 30.477 -30.791 -53.099 1.00 0.00 C ATOM 1142 CD GLU A 73 31.005 -31.556 -54.322 1.00 0.00 C ATOM 1143 OE1 GLU A 73 30.608 -31.226 -55.461 1.00 0.00 O ATOM 1144 OE2 GLU A 73 31.827 -32.485 -54.157 1.00 0.00 O ATOM 0 H GLU A 73 28.869 -28.709 -52.888 1.00 0.00 H new ATOM 0 HA GLU A 73 30.643 -29.168 -50.756 1.00 0.00 H new ATOM 0 HB2 GLU A 73 31.182 -28.868 -53.764 1.00 0.00 H new ATOM 0 HB3 GLU A 73 32.250 -29.664 -52.625 1.00 0.00 H new ATOM 0 HG2 GLU A 73 30.576 -31.422 -52.215 1.00 0.00 H new ATOM 0 HG3 GLU A 73 29.413 -30.596 -53.234 1.00 0.00 H new ATOM 1151 N GLN A 74 31.268 -26.389 -52.468 1.00 0.00 N ATOM 1152 CA GLN A 74 32.017 -25.122 -52.477 1.00 0.00 C ATOM 1153 C GLN A 74 31.543 -24.177 -51.357 1.00 0.00 C ATOM 1154 O GLN A 74 32.309 -23.317 -50.915 1.00 0.00 O ATOM 1155 CB GLN A 74 31.985 -24.450 -53.893 1.00 0.00 C ATOM 1156 CG GLN A 74 30.612 -23.937 -54.419 1.00 0.00 C ATOM 1157 CD GLN A 74 30.238 -22.512 -53.986 1.00 0.00 C ATOM 1158 OE1 GLN A 74 29.596 -22.311 -52.959 1.00 0.00 O ATOM 1159 NE2 GLN A 74 30.659 -21.519 -54.757 1.00 0.00 N ATOM 0 H GLN A 74 30.627 -26.495 -53.254 1.00 0.00 H new ATOM 0 HA GLN A 74 33.062 -25.348 -52.265 1.00 0.00 H new ATOM 0 HB2 GLN A 74 32.676 -23.607 -53.880 1.00 0.00 H new ATOM 0 HB3 GLN A 74 32.373 -25.169 -54.614 1.00 0.00 H new ATOM 0 HG2 GLN A 74 30.620 -23.979 -55.508 1.00 0.00 H new ATOM 0 HG3 GLN A 74 29.833 -24.619 -54.079 1.00 0.00 H new ATOM 0 HE21 GLN A 74 31.190 -21.721 -55.604 1.00 0.00 H new ATOM 0 HE22 GLN A 74 30.452 -20.553 -54.503 1.00 0.00 H new ATOM 1168 N TYR A 75 30.280 -24.360 -50.897 1.00 0.00 N ATOM 1169 CA TYR A 75 29.735 -23.645 -49.723 1.00 0.00 C ATOM 1170 C TYR A 75 30.453 -24.129 -48.451 1.00 0.00 C ATOM 1171 O TYR A 75 30.932 -23.314 -47.672 1.00 0.00 O ATOM 1172 CB TYR A 75 28.198 -23.869 -49.603 1.00 0.00 C ATOM 1173 CG TYR A 75 27.481 -23.097 -48.475 1.00 0.00 C ATOM 1174 CD1 TYR A 75 26.681 -21.979 -48.745 1.00 0.00 C ATOM 1175 CD2 TYR A 75 27.577 -23.507 -47.141 1.00 0.00 C ATOM 1176 CE1 TYR A 75 26.013 -21.316 -47.731 1.00 0.00 C ATOM 1177 CE2 TYR A 75 26.920 -22.841 -46.132 1.00 0.00 C ATOM 1178 CZ TYR A 75 26.139 -21.755 -46.429 1.00 0.00 C ATOM 1179 OH TYR A 75 25.467 -21.116 -45.417 1.00 0.00 O ATOM 0 H TYR A 75 29.617 -25.004 -51.329 1.00 0.00 H new ATOM 0 HA TYR A 75 29.907 -22.576 -49.848 1.00 0.00 H new ATOM 0 HB2 TYR A 75 27.737 -23.595 -50.552 1.00 0.00 H new ATOM 0 HB3 TYR A 75 28.018 -24.934 -49.457 1.00 0.00 H new ATOM 0 HD1 TYR A 75 26.584 -21.629 -49.762 1.00 0.00 H new ATOM 0 HD2 TYR A 75 28.182 -24.368 -46.897 1.00 0.00 H new ATOM 0 HE1 TYR A 75 25.396 -20.459 -47.957 1.00 0.00 H new ATOM 0 HE2 TYR A 75 27.020 -23.173 -45.109 1.00 0.00 H new ATOM 0 HH TYR A 75 26.045 -20.430 -45.022 1.00 0.00 H new ATOM 1189 N LEU A 76 30.539 -25.469 -48.272 1.00 0.00 N ATOM 1190 CA LEU A 76 31.068 -26.088 -47.030 1.00 0.00 C ATOM 1191 C LEU A 76 32.521 -25.658 -46.758 1.00 0.00 C ATOM 1192 O LEU A 76 32.878 -25.370 -45.615 1.00 0.00 O ATOM 1193 CB LEU A 76 30.989 -27.639 -47.088 1.00 0.00 C ATOM 1194 CG LEU A 76 29.571 -28.264 -47.281 1.00 0.00 C ATOM 1195 CD1 LEU A 76 29.640 -29.804 -47.220 1.00 0.00 C ATOM 1196 CD2 LEU A 76 28.536 -27.689 -46.280 1.00 0.00 C ATOM 0 H LEU A 76 30.247 -26.147 -48.976 1.00 0.00 H new ATOM 0 HA LEU A 76 30.439 -25.734 -46.213 1.00 0.00 H new ATOM 0 HB2 LEU A 76 31.625 -27.981 -47.904 1.00 0.00 H new ATOM 0 HB3 LEU A 76 31.413 -28.036 -46.165 1.00 0.00 H new ATOM 0 HG LEU A 76 29.221 -27.985 -48.275 1.00 0.00 H new ATOM 0 HD11 LEU A 76 28.641 -30.219 -47.357 1.00 0.00 H new ATOM 0 HD12 LEU A 76 30.296 -30.170 -48.009 1.00 0.00 H new ATOM 0 HD13 LEU A 76 30.031 -30.113 -46.251 1.00 0.00 H new ATOM 0 HD21 LEU A 76 27.565 -28.154 -46.453 1.00 0.00 H new ATOM 0 HD22 LEU A 76 28.861 -27.897 -45.261 1.00 0.00 H new ATOM 0 HD23 LEU A 76 28.453 -26.611 -46.422 1.00 0.00 H new ATOM 1208 N LYS A 77 33.344 -25.606 -47.822 1.00 0.00 N ATOM 1209 CA LYS A 77 34.765 -25.214 -47.698 1.00 0.00 C ATOM 1210 C LYS A 77 34.918 -23.693 -47.448 1.00 0.00 C ATOM 1211 O LYS A 77 35.828 -23.269 -46.721 1.00 0.00 O ATOM 1212 CB LYS A 77 35.586 -25.632 -48.945 1.00 0.00 C ATOM 1213 CG LYS A 77 35.127 -24.974 -50.267 1.00 0.00 C ATOM 1214 CD LYS A 77 36.164 -25.109 -51.391 1.00 0.00 C ATOM 1215 CE LYS A 77 35.728 -24.415 -52.692 1.00 0.00 C ATOM 1216 NZ LYS A 77 36.784 -24.484 -53.728 1.00 0.00 N ATOM 0 H LYS A 77 33.053 -25.829 -48.774 1.00 0.00 H new ATOM 0 HA LYS A 77 35.161 -25.746 -46.833 1.00 0.00 H new ATOM 0 HB2 LYS A 77 36.633 -25.383 -48.775 1.00 0.00 H new ATOM 0 HB3 LYS A 77 35.530 -26.715 -49.055 1.00 0.00 H new ATOM 0 HG2 LYS A 77 34.190 -25.429 -50.587 1.00 0.00 H new ATOM 0 HG3 LYS A 77 34.925 -23.918 -50.091 1.00 0.00 H new ATOM 0 HD2 LYS A 77 37.111 -24.684 -51.058 1.00 0.00 H new ATOM 0 HD3 LYS A 77 36.341 -26.166 -51.590 1.00 0.00 H new ATOM 0 HE2 LYS A 77 34.818 -24.883 -53.067 1.00 0.00 H new ATOM 0 HE3 LYS A 77 35.488 -23.372 -52.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 36.455 -24.006 -54.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 37.644 -24.015 -53.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 36.995 -25.479 -53.943 1.00 0.00 H new ATOM 1230 N SER A 78 34.021 -22.881 -48.049 1.00 0.00 N ATOM 1231 CA SER A 78 34.069 -21.399 -47.931 1.00 0.00 C ATOM 1232 C SER A 78 33.398 -20.912 -46.633 1.00 0.00 C ATOM 1233 O SER A 78 33.621 -19.782 -46.191 1.00 0.00 O ATOM 1234 CB SER A 78 33.400 -20.743 -49.158 1.00 0.00 C ATOM 1235 OG SER A 78 32.044 -21.127 -49.266 1.00 0.00 O ATOM 0 H SER A 78 33.251 -23.224 -48.623 1.00 0.00 H new ATOM 0 HA SER A 78 35.117 -21.102 -47.895 1.00 0.00 H new ATOM 0 HB2 SER A 78 33.468 -19.658 -49.076 1.00 0.00 H new ATOM 0 HB3 SER A 78 33.935 -21.029 -50.064 1.00 0.00 H new ATOM 0 HG SER A 78 31.581 -20.935 -48.424 1.00 0.00 H new ATOM 1241 N HIS A 79 32.585 -21.783 -46.027 1.00 0.00 N ATOM 1242 CA HIS A 79 31.813 -21.475 -44.803 1.00 0.00 C ATOM 1243 C HIS A 79 32.178 -22.493 -43.702 1.00 0.00 C ATOM 1244 O HIS A 79 31.711 -23.637 -43.756 1.00 0.00 O ATOM 1245 CB HIS A 79 30.285 -21.512 -45.093 1.00 0.00 C ATOM 1246 CG HIS A 79 29.800 -20.471 -46.066 1.00 0.00 C ATOM 1247 ND1 HIS A 79 29.946 -20.592 -47.425 1.00 0.00 N ATOM 1248 CD2 HIS A 79 29.154 -19.300 -45.867 1.00 0.00 C ATOM 1249 CE1 HIS A 79 29.416 -19.548 -48.022 1.00 0.00 C ATOM 1250 NE2 HIS A 79 28.926 -18.749 -47.101 1.00 0.00 N ATOM 0 H HIS A 79 32.438 -22.732 -46.370 1.00 0.00 H new ATOM 0 HA HIS A 79 32.065 -20.470 -44.465 1.00 0.00 H new ATOM 0 HB2 HIS A 79 30.027 -22.498 -45.479 1.00 0.00 H new ATOM 0 HB3 HIS A 79 29.748 -21.388 -44.153 1.00 0.00 H new ATOM 0 HD2 HIS A 79 28.871 -18.878 -44.914 1.00 0.00 H new ATOM 0 HE1 HIS A 79 29.388 -19.376 -49.088 1.00 0.00 H new ATOM 0 HE2 HIS A 79 28.453 -17.863 -47.276 1.00 0.00 H new ATOM 1259 N PRO A 80 33.031 -22.102 -42.693 1.00 0.00 N ATOM 1260 CA PRO A 80 33.483 -23.024 -41.610 1.00 0.00 C ATOM 1261 C PRO A 80 32.342 -23.440 -40.654 1.00 0.00 C ATOM 1262 O PRO A 80 31.328 -22.736 -40.531 1.00 0.00 O ATOM 1263 CB PRO A 80 34.576 -22.195 -40.875 1.00 0.00 C ATOM 1264 CG PRO A 80 34.189 -20.768 -41.118 1.00 0.00 C ATOM 1265 CD PRO A 80 33.610 -20.738 -42.519 1.00 0.00 C ATOM 0 HA PRO A 80 33.848 -23.973 -42.003 1.00 0.00 H new ATOM 0 HB2 PRO A 80 34.599 -22.424 -39.810 1.00 0.00 H new ATOM 0 HB3 PRO A 80 35.569 -22.410 -41.269 1.00 0.00 H new ATOM 0 HG2 PRO A 80 33.458 -20.429 -40.384 1.00 0.00 H new ATOM 0 HG3 PRO A 80 35.052 -20.108 -41.036 1.00 0.00 H new ATOM 0 HD2 PRO A 80 32.849 -19.964 -42.621 1.00 0.00 H new ATOM 0 HD3 PRO A 80 34.377 -20.531 -43.265 1.00 0.00 H new ATOM 1273 N GLY A 81 32.513 -24.618 -40.019 1.00 0.00 N ATOM 1274 CA GLY A 81 31.578 -25.119 -38.999 1.00 0.00 C ATOM 1275 C GLY A 81 30.363 -25.853 -39.566 1.00 0.00 C ATOM 1276 O GLY A 81 29.612 -26.472 -38.810 1.00 0.00 O ATOM 0 H GLY A 81 33.299 -25.243 -40.200 1.00 0.00 H new ATOM 0 HA2 GLY A 81 32.115 -25.792 -38.330 1.00 0.00 H new ATOM 0 HA3 GLY A 81 31.232 -24.279 -38.396 1.00 0.00 H new ATOM 1280 N ASN A 82 30.173 -25.788 -40.895 1.00 0.00 N ATOM 1281 CA ASN A 82 29.019 -26.412 -41.587 1.00 0.00 C ATOM 1282 C ASN A 82 29.184 -27.950 -41.675 1.00 0.00 C ATOM 1283 O ASN A 82 30.315 -28.447 -41.737 1.00 0.00 O ATOM 1284 CB ASN A 82 28.836 -25.771 -43.001 1.00 0.00 C ATOM 1285 CG ASN A 82 28.168 -24.395 -42.930 1.00 0.00 C ATOM 1286 OD1 ASN A 82 26.952 -24.282 -43.059 1.00 0.00 O ATOM 1287 ND2 ASN A 82 28.949 -23.350 -42.684 1.00 0.00 N ATOM 0 H ASN A 82 30.812 -25.303 -41.525 1.00 0.00 H new ATOM 0 HA ASN A 82 28.117 -26.222 -41.005 1.00 0.00 H new ATOM 0 HB2 ASN A 82 29.809 -25.676 -43.484 1.00 0.00 H new ATOM 0 HB3 ASN A 82 28.234 -26.433 -43.623 1.00 0.00 H new ATOM 0 HD21 ASN A 82 28.542 -22.419 -42.597 1.00 0.00 H new ATOM 0 HD22 ASN A 82 29.956 -23.478 -42.582 1.00 0.00 H new ATOM 1294 N PRO A 83 28.050 -28.731 -41.643 1.00 0.00 N ATOM 1295 CA PRO A 83 28.083 -30.215 -41.672 1.00 0.00 C ATOM 1296 C PRO A 83 28.553 -30.787 -43.030 1.00 0.00 C ATOM 1297 O PRO A 83 28.576 -30.079 -44.041 1.00 0.00 O ATOM 1298 CB PRO A 83 26.617 -30.610 -41.351 1.00 0.00 C ATOM 1299 CG PRO A 83 25.802 -29.446 -41.808 1.00 0.00 C ATOM 1300 CD PRO A 83 26.654 -28.223 -41.570 1.00 0.00 C ATOM 0 HA PRO A 83 28.804 -30.623 -40.964 1.00 0.00 H new ATOM 0 HB2 PRO A 83 26.330 -31.523 -41.872 1.00 0.00 H new ATOM 0 HB3 PRO A 83 26.481 -30.795 -40.285 1.00 0.00 H new ATOM 0 HG2 PRO A 83 25.542 -29.541 -42.862 1.00 0.00 H new ATOM 0 HG3 PRO A 83 24.866 -29.383 -41.253 1.00 0.00 H new ATOM 0 HD2 PRO A 83 26.469 -27.456 -42.323 1.00 0.00 H new ATOM 0 HD3 PRO A 83 26.444 -27.774 -40.599 1.00 0.00 H new ATOM 1308 N ALA A 84 28.920 -32.080 -43.007 1.00 0.00 N ATOM 1309 CA ALA A 84 29.485 -32.798 -44.166 1.00 0.00 C ATOM 1310 C ALA A 84 28.416 -33.052 -45.238 1.00 0.00 C ATOM 1311 O ALA A 84 27.255 -33.198 -44.914 1.00 0.00 O ATOM 1312 CB ALA A 84 30.102 -34.124 -43.690 1.00 0.00 C ATOM 0 H ALA A 84 28.832 -32.663 -42.175 1.00 0.00 H new ATOM 0 HA ALA A 84 30.260 -32.180 -44.619 1.00 0.00 H new ATOM 0 HB1 ALA A 84 30.521 -34.658 -44.543 1.00 0.00 H new ATOM 0 HB2 ALA A 84 30.892 -33.919 -42.967 1.00 0.00 H new ATOM 0 HB3 ALA A 84 29.332 -34.736 -43.222 1.00 0.00 H new ATOM 1318 N ILE A 85 28.821 -33.122 -46.516 1.00 0.00 N ATOM 1319 CA ILE A 85 27.881 -33.368 -47.634 1.00 0.00 C ATOM 1320 C ILE A 85 27.402 -34.839 -47.638 1.00 0.00 C ATOM 1321 O ILE A 85 26.336 -35.160 -48.178 1.00 0.00 O ATOM 1322 CB ILE A 85 28.498 -32.969 -49.029 1.00 0.00 C ATOM 1323 CG1 ILE A 85 27.411 -33.053 -50.153 1.00 0.00 C ATOM 1324 CG2 ILE A 85 29.755 -33.811 -49.381 1.00 0.00 C ATOM 1325 CD1 ILE A 85 27.851 -32.528 -51.494 1.00 0.00 C ATOM 0 H ILE A 85 29.793 -33.012 -46.806 1.00 0.00 H new ATOM 0 HA ILE A 85 27.015 -32.725 -47.474 1.00 0.00 H new ATOM 0 HB ILE A 85 28.835 -31.935 -48.956 1.00 0.00 H new ATOM 0 HG12 ILE A 85 27.106 -34.093 -50.268 1.00 0.00 H new ATOM 0 HG13 ILE A 85 26.531 -32.496 -49.831 1.00 0.00 H new ATOM 0 HG21 ILE A 85 30.143 -33.498 -50.351 1.00 0.00 H new ATOM 0 HG22 ILE A 85 30.519 -33.660 -48.619 1.00 0.00 H new ATOM 0 HG23 ILE A 85 29.486 -34.867 -49.421 1.00 0.00 H new ATOM 0 HD11 ILE A 85 27.034 -32.627 -52.209 1.00 0.00 H new ATOM 0 HD12 ILE A 85 28.127 -31.478 -51.401 1.00 0.00 H new ATOM 0 HD13 ILE A 85 28.711 -33.099 -51.844 1.00 0.00 H new ATOM 1337 N ALA A 86 28.179 -35.718 -46.984 1.00 0.00 N ATOM 1338 CA ALA A 86 27.889 -37.166 -46.901 1.00 0.00 C ATOM 1339 C ALA A 86 26.574 -37.461 -46.139 1.00 0.00 C ATOM 1340 O ALA A 86 25.897 -38.451 -46.428 1.00 0.00 O ATOM 1341 CB ALA A 86 29.066 -37.894 -46.238 1.00 0.00 C ATOM 0 H ALA A 86 29.031 -35.446 -46.494 1.00 0.00 H new ATOM 0 HA ALA A 86 27.756 -37.534 -47.918 1.00 0.00 H new ATOM 0 HB1 ALA A 86 28.848 -38.960 -46.179 1.00 0.00 H new ATOM 0 HB2 ALA A 86 29.969 -37.741 -46.830 1.00 0.00 H new ATOM 0 HB3 ALA A 86 29.219 -37.499 -45.234 1.00 0.00 H new ATOM 1347 N GLU A 87 26.224 -36.585 -45.172 1.00 0.00 N ATOM 1348 CA GLU A 87 24.978 -36.710 -44.373 1.00 0.00 C ATOM 1349 C GLU A 87 23.791 -35.990 -45.065 1.00 0.00 C ATOM 1350 O GLU A 87 22.647 -36.093 -44.610 1.00 0.00 O ATOM 1351 CB GLU A 87 25.210 -36.159 -42.933 1.00 0.00 C ATOM 1352 CG GLU A 87 25.607 -34.675 -42.883 1.00 0.00 C ATOM 1353 CD GLU A 87 25.921 -34.150 -41.472 1.00 0.00 C ATOM 1354 OE1 GLU A 87 24.977 -33.858 -40.696 1.00 0.00 O ATOM 1355 OE2 GLU A 87 27.119 -34.020 -41.124 1.00 0.00 O ATOM 0 H GLU A 87 26.791 -35.775 -44.922 1.00 0.00 H new ATOM 0 HA GLU A 87 24.718 -37.766 -44.302 1.00 0.00 H new ATOM 0 HB2 GLU A 87 24.299 -36.300 -42.351 1.00 0.00 H new ATOM 0 HB3 GLU A 87 25.990 -36.749 -42.452 1.00 0.00 H new ATOM 0 HG2 GLU A 87 26.481 -34.523 -43.517 1.00 0.00 H new ATOM 0 HG3 GLU A 87 24.798 -34.080 -43.307 1.00 0.00 H new ATOM 1362 N PHE A 88 24.080 -35.252 -46.156 1.00 0.00 N ATOM 1363 CA PHE A 88 23.059 -34.568 -46.975 1.00 0.00 C ATOM 1364 C PHE A 88 22.442 -35.548 -47.991 1.00 0.00 C ATOM 1365 O PHE A 88 23.138 -36.067 -48.875 1.00 0.00 O ATOM 1366 CB PHE A 88 23.676 -33.348 -47.720 1.00 0.00 C ATOM 1367 CG PHE A 88 23.975 -32.119 -46.850 1.00 0.00 C ATOM 1368 CD1 PHE A 88 23.709 -30.841 -47.322 1.00 0.00 C ATOM 1369 CD2 PHE A 88 24.526 -32.230 -45.576 1.00 0.00 C ATOM 1370 CE1 PHE A 88 23.990 -29.726 -46.561 1.00 0.00 C ATOM 1371 CE2 PHE A 88 24.805 -31.112 -44.819 1.00 0.00 C ATOM 1372 CZ PHE A 88 24.539 -29.862 -45.313 1.00 0.00 C ATOM 0 H PHE A 88 25.032 -35.113 -46.495 1.00 0.00 H new ATOM 0 HA PHE A 88 22.275 -34.208 -46.309 1.00 0.00 H new ATOM 0 HB2 PHE A 88 24.603 -33.667 -48.196 1.00 0.00 H new ATOM 0 HB3 PHE A 88 22.995 -33.049 -48.517 1.00 0.00 H new ATOM 0 HD1 PHE A 88 23.274 -30.718 -48.303 1.00 0.00 H new ATOM 0 HD2 PHE A 88 24.739 -33.209 -45.174 1.00 0.00 H new ATOM 0 HE1 PHE A 88 23.776 -28.741 -46.950 1.00 0.00 H new ATOM 0 HE2 PHE A 88 25.234 -31.222 -43.834 1.00 0.00 H new ATOM 0 HZ PHE A 88 24.761 -28.987 -44.721 1.00 0.00 H new ATOM 1382 N ASP A 89 21.131 -35.794 -47.839 1.00 0.00 N ATOM 1383 CA ASP A 89 20.340 -36.627 -48.761 1.00 0.00 C ATOM 1384 C ASP A 89 20.044 -35.854 -50.056 1.00 0.00 C ATOM 1385 O ASP A 89 19.609 -34.712 -50.001 1.00 0.00 O ATOM 1386 CB ASP A 89 19.005 -37.086 -48.096 1.00 0.00 C ATOM 1387 CG ASP A 89 18.067 -37.813 -49.077 1.00 0.00 C ATOM 1388 OD1 ASP A 89 18.095 -39.061 -49.154 1.00 0.00 O ATOM 1389 OD2 ASP A 89 17.317 -37.130 -49.802 1.00 0.00 O ATOM 0 H ASP A 89 20.584 -35.417 -47.065 1.00 0.00 H new ATOM 0 HA ASP A 89 20.926 -37.514 -49.001 1.00 0.00 H new ATOM 0 HB2 ASP A 89 19.230 -37.747 -47.259 1.00 0.00 H new ATOM 0 HB3 ASP A 89 18.491 -36.216 -47.686 1.00 0.00 H new ATOM 1394 N TRP A 90 20.341 -36.460 -51.207 1.00 0.00 N ATOM 1395 CA TRP A 90 19.856 -35.986 -52.524 1.00 0.00 C ATOM 1396 C TRP A 90 18.983 -37.081 -53.199 1.00 0.00 C ATOM 1397 O TRP A 90 18.454 -36.865 -54.292 1.00 0.00 O ATOM 1398 CB TRP A 90 21.061 -35.606 -53.432 1.00 0.00 C ATOM 1399 CG TRP A 90 21.901 -34.457 -52.892 1.00 0.00 C ATOM 1400 CD1 TRP A 90 22.909 -34.531 -51.964 1.00 0.00 C ATOM 1401 CD2 TRP A 90 21.794 -33.066 -53.245 1.00 0.00 C ATOM 1402 NE1 TRP A 90 23.434 -33.287 -51.731 1.00 0.00 N ATOM 1403 CE2 TRP A 90 22.765 -32.369 -52.499 1.00 0.00 C ATOM 1404 CE3 TRP A 90 20.973 -32.341 -54.120 1.00 0.00 C ATOM 1405 CZ2 TRP A 90 22.936 -30.994 -52.602 1.00 0.00 C ATOM 1406 CZ3 TRP A 90 21.143 -30.969 -54.217 1.00 0.00 C ATOM 1407 CH2 TRP A 90 22.118 -30.308 -53.458 1.00 0.00 C ATOM 0 H TRP A 90 20.924 -37.295 -51.263 1.00 0.00 H new ATOM 0 HA TRP A 90 19.241 -35.098 -52.377 1.00 0.00 H new ATOM 0 HB2 TRP A 90 21.698 -36.481 -53.558 1.00 0.00 H new ATOM 0 HB3 TRP A 90 20.688 -35.338 -54.420 1.00 0.00 H new ATOM 0 HD1 TRP A 90 23.241 -35.440 -51.485 1.00 0.00 H new ATOM 0 HE1 TRP A 90 24.199 -33.078 -51.090 1.00 0.00 H new ATOM 0 HE3 TRP A 90 20.220 -32.844 -54.709 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 23.691 -30.482 -52.024 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 20.515 -30.401 -54.887 1.00 0.00 H new ATOM 0 HH2 TRP A 90 22.226 -29.237 -53.550 1.00 0.00 H new ATOM 1418 N THR A 91 18.828 -38.254 -52.525 1.00 0.00 N ATOM 1419 CA THR A 91 18.290 -39.495 -53.142 1.00 0.00 C ATOM 1420 C THR A 91 16.892 -39.918 -52.580 1.00 0.00 C ATOM 1421 O THR A 91 16.427 -41.029 -52.878 1.00 0.00 O ATOM 1422 CB THR A 91 19.346 -40.658 -52.985 1.00 0.00 C ATOM 1423 OG1 THR A 91 18.978 -41.814 -53.756 1.00 0.00 O ATOM 1424 CG2 THR A 91 19.535 -41.075 -51.520 1.00 0.00 C ATOM 0 H THR A 91 19.073 -38.364 -51.541 1.00 0.00 H new ATOM 0 HA THR A 91 18.124 -39.287 -54.199 1.00 0.00 H new ATOM 0 HB THR A 91 20.289 -40.259 -53.360 1.00 0.00 H new ATOM 0 HG1 THR A 91 18.005 -41.928 -53.731 1.00 0.00 H new ATOM 0 HG21 THR A 91 20.270 -41.877 -51.462 1.00 0.00 H new ATOM 0 HG22 THR A 91 19.884 -40.220 -50.941 1.00 0.00 H new ATOM 0 HG23 THR A 91 18.585 -41.424 -51.115 1.00 0.00 H new