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 -89:sc= 1.26 USER MOD Set 1.2: A 79 HIS : no HD1:sc=-0.00895 X(o=1.2,f=1.1) USER MOD Set 2.1: A 71 GLN : amide:sc= -0.0156 K(o=-0.2,f=-1.7) USER MOD Set 2.2: A 74 GLN : amide:sc= -0.185 K(o=-0.2,f=-1.9!) USER MOD Set 3.1: A 37 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 42:sc= 0.282 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 139:sc= -0.56 (180deg=-2.81!) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -40:sc= 0.188 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.551 K(o=-0.55,f=-5!) USER MOD Single : A 70 LYS NZ :NH3+ -173:sc= -0.0121 (180deg=-0.0828) USER MOD Single : A 75 TYR OH : rot 180:sc= -1.61 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -0.101 K(o=-0.1,f=-2.6!) USER MOD Single : A 91 THR OG1 : rot -37:sc= 0.765 USER MOD ----------------------------------------------------------------- ATOM 429 N VAL A 29 3.670 -28.252 -55.255 1.00 0.00 N ATOM 430 CA VAL A 29 4.027 -29.561 -54.695 1.00 0.00 C ATOM 431 C VAL A 29 5.514 -29.575 -54.265 1.00 0.00 C ATOM 432 O VAL A 29 6.426 -29.630 -55.089 1.00 0.00 O ATOM 433 CB VAL A 29 3.684 -30.742 -55.705 1.00 0.00 C ATOM 434 CG1 VAL A 29 2.147 -30.926 -55.822 1.00 0.00 C ATOM 435 CG2 VAL A 29 4.312 -30.519 -57.114 1.00 0.00 C ATOM 0 HA VAL A 29 3.422 -29.731 -53.804 1.00 0.00 H new ATOM 0 HB VAL A 29 4.125 -31.651 -55.296 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.930 -31.737 -56.517 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.734 -31.166 -54.842 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.697 -30.004 -56.189 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.049 -31.352 -57.766 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.931 -29.591 -57.540 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.397 -30.458 -57.023 1.00 0.00 H new ATOM 445 N SER A 30 5.721 -29.500 -52.944 1.00 0.00 N ATOM 446 CA SER A 30 7.043 -29.441 -52.312 1.00 0.00 C ATOM 447 C SER A 30 6.881 -29.816 -50.834 1.00 0.00 C ATOM 448 O SER A 30 6.227 -29.097 -50.066 1.00 0.00 O ATOM 449 CB SER A 30 7.671 -28.030 -52.461 1.00 0.00 C ATOM 450 OG SER A 30 6.776 -27.028 -52.013 1.00 0.00 O ATOM 0 H SER A 30 4.955 -29.478 -52.270 1.00 0.00 H new ATOM 0 HA SER A 30 7.719 -30.142 -52.802 1.00 0.00 H new ATOM 0 HB2 SER A 30 8.597 -27.978 -51.889 1.00 0.00 H new ATOM 0 HB3 SER A 30 7.930 -27.851 -53.505 1.00 0.00 H new ATOM 0 HG SER A 30 6.334 -27.328 -51.191 1.00 0.00 H new ATOM 456 N VAL A 31 7.457 -30.961 -50.454 1.00 0.00 N ATOM 457 CA VAL A 31 7.412 -31.485 -49.082 1.00 0.00 C ATOM 458 C VAL A 31 8.783 -31.274 -48.440 1.00 0.00 C ATOM 459 O VAL A 31 9.796 -31.698 -48.998 1.00 0.00 O ATOM 460 CB VAL A 31 7.026 -33.020 -49.043 1.00 0.00 C ATOM 461 CG1 VAL A 31 7.008 -33.562 -47.579 1.00 0.00 C ATOM 462 CG2 VAL A 31 5.667 -33.268 -49.758 1.00 0.00 C ATOM 0 H VAL A 31 7.975 -31.559 -51.098 1.00 0.00 H new ATOM 0 HA VAL A 31 6.640 -30.949 -48.530 1.00 0.00 H new ATOM 0 HB VAL A 31 7.793 -33.573 -49.585 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.740 -34.618 -47.585 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.996 -33.441 -47.134 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.276 -33.005 -46.994 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.423 -34.330 -49.718 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.884 -32.697 -49.259 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.740 -32.951 -50.798 1.00 0.00 H new ATOM 472 N GLU A 32 8.816 -30.591 -47.289 1.00 0.00 N ATOM 473 CA GLU A 32 10.043 -30.437 -46.509 1.00 0.00 C ATOM 474 C GLU A 32 10.320 -31.747 -45.762 1.00 0.00 C ATOM 475 O GLU A 32 9.538 -32.154 -44.902 1.00 0.00 O ATOM 476 CB GLU A 32 9.942 -29.242 -45.529 1.00 0.00 C ATOM 477 CG GLU A 32 9.779 -27.872 -46.218 1.00 0.00 C ATOM 478 CD GLU A 32 9.732 -26.699 -45.223 1.00 0.00 C ATOM 479 OE1 GLU A 32 8.714 -26.562 -44.507 1.00 0.00 O ATOM 480 OE2 GLU A 32 10.694 -25.901 -45.161 1.00 0.00 O ATOM 0 H GLU A 32 8.001 -30.135 -46.879 1.00 0.00 H new ATOM 0 HA GLU A 32 10.873 -30.221 -47.182 1.00 0.00 H new ATOM 0 HB2 GLU A 32 9.095 -29.404 -44.862 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.837 -29.219 -44.908 1.00 0.00 H new ATOM 0 HG2 GLU A 32 10.606 -27.720 -46.911 1.00 0.00 H new ATOM 0 HG3 GLU A 32 8.864 -27.876 -46.810 1.00 0.00 H new ATOM 487 N LEU A 33 11.406 -32.418 -46.148 1.00 0.00 N ATOM 488 CA LEU A 33 11.833 -33.701 -45.550 1.00 0.00 C ATOM 489 C LEU A 33 12.727 -33.410 -44.311 1.00 0.00 C ATOM 490 O LEU A 33 13.137 -32.253 -44.125 1.00 0.00 O ATOM 491 CB LEU A 33 12.563 -34.556 -46.658 1.00 0.00 C ATOM 492 CG LEU A 33 11.671 -35.475 -47.558 1.00 0.00 C ATOM 493 CD1 LEU A 33 11.172 -36.708 -46.787 1.00 0.00 C ATOM 494 CD2 LEU A 33 10.507 -34.701 -48.182 1.00 0.00 C ATOM 0 H LEU A 33 12.025 -32.091 -46.890 1.00 0.00 H new ATOM 0 HA LEU A 33 10.982 -34.284 -45.198 1.00 0.00 H new ATOM 0 HB2 LEU A 33 13.107 -33.871 -47.309 1.00 0.00 H new ATOM 0 HB3 LEU A 33 13.305 -35.184 -46.165 1.00 0.00 H new ATOM 0 HG LEU A 33 12.300 -35.830 -48.375 1.00 0.00 H new ATOM 0 HD11 LEU A 33 10.556 -37.323 -47.443 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.026 -37.290 -46.440 1.00 0.00 H new ATOM 0 HD13 LEU A 33 10.580 -36.386 -45.930 1.00 0.00 H new ATOM 0 HD21 LEU A 33 9.912 -35.374 -48.799 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.882 -34.285 -47.392 1.00 0.00 H new ATOM 0 HD23 LEU A 33 10.897 -33.892 -48.800 1.00 0.00 H new ATOM 506 N PRO A 34 13.018 -34.432 -43.418 1.00 0.00 N ATOM 507 CA PRO A 34 13.939 -34.259 -42.256 1.00 0.00 C ATOM 508 C PRO A 34 15.314 -33.653 -42.651 1.00 0.00 C ATOM 509 O PRO A 34 15.942 -34.074 -43.629 1.00 0.00 O ATOM 510 CB PRO A 34 14.091 -35.705 -41.674 1.00 0.00 C ATOM 511 CG PRO A 34 13.543 -36.604 -42.741 1.00 0.00 C ATOM 512 CD PRO A 34 12.446 -35.807 -43.406 1.00 0.00 C ATOM 0 HA PRO A 34 13.539 -33.548 -41.532 1.00 0.00 H new ATOM 0 HB2 PRO A 34 15.134 -35.937 -41.458 1.00 0.00 H new ATOM 0 HB3 PRO A 34 13.539 -35.816 -40.741 1.00 0.00 H new ATOM 0 HG2 PRO A 34 14.317 -36.882 -43.457 1.00 0.00 H new ATOM 0 HG3 PRO A 34 13.155 -37.529 -42.315 1.00 0.00 H new ATOM 0 HD2 PRO A 34 12.233 -36.168 -44.412 1.00 0.00 H new ATOM 0 HD3 PRO A 34 11.512 -35.854 -42.846 1.00 0.00 H new ATOM 520 N ALA A 35 15.752 -32.672 -41.847 1.00 0.00 N ATOM 521 CA ALA A 35 16.920 -31.808 -42.112 1.00 0.00 C ATOM 522 C ALA A 35 17.872 -31.782 -40.899 1.00 0.00 C ATOM 523 O ALA A 35 17.431 -32.075 -39.783 1.00 0.00 O ATOM 524 CB ALA A 35 16.416 -30.378 -42.393 1.00 0.00 C ATOM 0 H ALA A 35 15.290 -32.449 -40.965 1.00 0.00 H new ATOM 0 HA ALA A 35 17.467 -32.201 -42.969 1.00 0.00 H new ATOM 0 HB1 ALA A 35 17.266 -29.725 -42.591 1.00 0.00 H new ATOM 0 HB2 ALA A 35 15.757 -30.389 -43.261 1.00 0.00 H new ATOM 0 HB3 ALA A 35 15.869 -30.008 -41.526 1.00 0.00 H new ATOM 530 N PRO A 36 19.189 -31.412 -41.088 1.00 0.00 N ATOM 531 CA PRO A 36 20.099 -31.065 -39.957 1.00 0.00 C ATOM 532 C PRO A 36 19.700 -29.708 -39.300 1.00 0.00 C ATOM 533 O PRO A 36 18.763 -29.042 -39.758 1.00 0.00 O ATOM 534 CB PRO A 36 21.501 -31.012 -40.625 1.00 0.00 C ATOM 535 CG PRO A 36 21.218 -30.664 -42.054 1.00 0.00 C ATOM 536 CD PRO A 36 19.895 -31.327 -42.398 1.00 0.00 C ATOM 0 HA PRO A 36 20.060 -31.783 -39.138 1.00 0.00 H new ATOM 0 HB2 PRO A 36 22.139 -30.265 -40.153 1.00 0.00 H new ATOM 0 HB3 PRO A 36 22.017 -31.969 -40.543 1.00 0.00 H new ATOM 0 HG2 PRO A 36 21.158 -29.584 -42.187 1.00 0.00 H new ATOM 0 HG3 PRO A 36 22.014 -31.022 -42.707 1.00 0.00 H new ATOM 0 HD2 PRO A 36 19.329 -30.739 -43.120 1.00 0.00 H new ATOM 0 HD3 PRO A 36 20.044 -32.314 -42.837 1.00 0.00 H new ATOM 544 N SER A 37 20.423 -29.313 -38.243 1.00 0.00 N ATOM 545 CA SER A 37 20.050 -28.174 -37.371 1.00 0.00 C ATOM 546 C SER A 37 20.229 -26.808 -38.073 1.00 0.00 C ATOM 547 O SER A 37 19.331 -25.957 -38.041 1.00 0.00 O ATOM 548 CB SER A 37 20.887 -28.226 -36.069 1.00 0.00 C ATOM 549 OG SER A 37 22.281 -28.182 -36.337 1.00 0.00 O ATOM 0 H SER A 37 21.289 -29.773 -37.961 1.00 0.00 H new ATOM 0 HA SER A 37 18.990 -28.269 -37.136 1.00 0.00 H new ATOM 0 HB2 SER A 37 20.613 -27.389 -35.427 1.00 0.00 H new ATOM 0 HB3 SER A 37 20.651 -29.138 -35.521 1.00 0.00 H new ATOM 0 HG SER A 37 22.778 -28.215 -35.493 1.00 0.00 H new ATOM 555 N SER A 38 21.400 -26.628 -38.709 1.00 0.00 N ATOM 556 CA SER A 38 21.798 -25.359 -39.358 1.00 0.00 C ATOM 557 C SER A 38 21.035 -25.156 -40.682 1.00 0.00 C ATOM 558 O SER A 38 20.666 -24.032 -41.036 1.00 0.00 O ATOM 559 CB SER A 38 23.334 -25.361 -39.604 1.00 0.00 C ATOM 560 OG SER A 38 24.047 -25.608 -38.396 1.00 0.00 O ATOM 0 H SER A 38 22.104 -27.362 -38.790 1.00 0.00 H new ATOM 0 HA SER A 38 21.543 -24.530 -38.698 1.00 0.00 H new ATOM 0 HB2 SER A 38 23.586 -26.123 -40.341 1.00 0.00 H new ATOM 0 HB3 SER A 38 23.640 -24.401 -40.021 1.00 0.00 H new ATOM 0 HG SER A 38 25.010 -25.606 -38.578 1.00 0.00 H new ATOM 566 N TRP A 39 20.789 -26.271 -41.391 1.00 0.00 N ATOM 567 CA TRP A 39 20.164 -26.270 -42.723 1.00 0.00 C ATOM 568 C TRP A 39 18.675 -26.623 -42.639 1.00 0.00 C ATOM 569 O TRP A 39 18.150 -26.956 -41.577 1.00 0.00 O ATOM 570 CB TRP A 39 20.885 -27.282 -43.656 1.00 0.00 C ATOM 571 CG TRP A 39 22.318 -26.935 -43.961 1.00 0.00 C ATOM 572 CD1 TRP A 39 23.381 -26.926 -43.103 1.00 0.00 C ATOM 573 CD2 TRP A 39 22.831 -26.544 -45.229 1.00 0.00 C ATOM 574 NE1 TRP A 39 24.521 -26.563 -43.773 1.00 0.00 N ATOM 575 CE2 TRP A 39 24.205 -26.326 -45.079 1.00 0.00 C ATOM 576 CE3 TRP A 39 22.245 -26.359 -46.481 1.00 0.00 C ATOM 577 CZ2 TRP A 39 25.005 -25.945 -46.139 1.00 0.00 C ATOM 578 CZ3 TRP A 39 23.036 -25.976 -47.531 1.00 0.00 C ATOM 579 CH2 TRP A 39 24.408 -25.768 -47.359 1.00 0.00 C ATOM 0 H TRP A 39 21.020 -27.205 -41.052 1.00 0.00 H new ATOM 0 HA TRP A 39 20.258 -25.264 -43.133 1.00 0.00 H new ATOM 0 HB2 TRP A 39 20.853 -28.269 -43.195 1.00 0.00 H new ATOM 0 HB3 TRP A 39 20.333 -27.350 -44.593 1.00 0.00 H new ATOM 0 HD1 TRP A 39 23.331 -27.169 -42.052 1.00 0.00 H new ATOM 0 HE1 TRP A 39 25.451 -26.483 -43.363 1.00 0.00 H new ATOM 0 HE3 TRP A 39 21.185 -26.515 -46.620 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 26.066 -25.792 -46.010 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 22.594 -25.833 -48.506 1.00 0.00 H new ATOM 0 HH2 TRP A 39 25.008 -25.462 -48.203 1.00 0.00 H new ATOM 590 N LYS A 40 18.023 -26.523 -43.795 1.00 0.00 N ATOM 591 CA LYS A 40 16.672 -27.013 -44.031 1.00 0.00 C ATOM 592 C LYS A 40 16.727 -27.915 -45.271 1.00 0.00 C ATOM 593 O LYS A 40 17.552 -27.702 -46.163 1.00 0.00 O ATOM 594 CB LYS A 40 15.683 -25.833 -44.242 1.00 0.00 C ATOM 595 CG LYS A 40 14.189 -26.237 -44.299 1.00 0.00 C ATOM 596 CD LYS A 40 13.648 -26.737 -42.938 1.00 0.00 C ATOM 597 CE LYS A 40 13.678 -25.639 -41.856 1.00 0.00 C ATOM 598 NZ LYS A 40 13.179 -26.124 -40.552 1.00 0.00 N ATOM 0 H LYS A 40 18.436 -26.084 -44.618 1.00 0.00 H new ATOM 0 HA LYS A 40 16.311 -27.573 -43.168 1.00 0.00 H new ATOM 0 HB2 LYS A 40 15.820 -25.115 -43.434 1.00 0.00 H new ATOM 0 HB3 LYS A 40 15.942 -25.322 -45.169 1.00 0.00 H new ATOM 0 HG2 LYS A 40 13.599 -25.381 -44.627 1.00 0.00 H new ATOM 0 HG3 LYS A 40 14.058 -27.020 -45.046 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.625 -27.091 -43.064 1.00 0.00 H new ATOM 0 HD3 LYS A 40 14.241 -27.589 -42.605 1.00 0.00 H new ATOM 0 HE2 LYS A 40 14.699 -25.274 -41.739 1.00 0.00 H new ATOM 0 HE3 LYS A 40 13.073 -24.793 -42.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 13.218 -25.352 -39.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 12.196 -26.448 -40.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 13.771 -26.914 -40.226 1.00 0.00 H new ATOM 612 N LYS A 41 15.871 -28.928 -45.307 1.00 0.00 N ATOM 613 CA LYS A 41 15.774 -29.880 -46.414 1.00 0.00 C ATOM 614 C LYS A 41 14.344 -29.810 -46.965 1.00 0.00 C ATOM 615 O LYS A 41 13.363 -29.903 -46.221 1.00 0.00 O ATOM 616 CB LYS A 41 16.170 -31.320 -45.924 1.00 0.00 C ATOM 617 CG LYS A 41 15.356 -32.491 -46.517 1.00 0.00 C ATOM 618 CD LYS A 41 15.676 -32.862 -47.986 1.00 0.00 C ATOM 619 CE LYS A 41 16.756 -33.938 -48.111 1.00 0.00 C ATOM 620 NZ LYS A 41 16.583 -35.070 -47.166 1.00 0.00 N ATOM 0 H LYS A 41 15.210 -29.118 -44.554 1.00 0.00 H new ATOM 0 HA LYS A 41 16.469 -29.631 -47.216 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.223 -31.483 -46.155 1.00 0.00 H new ATOM 0 HB3 LYS A 41 16.074 -31.351 -44.839 1.00 0.00 H new ATOM 0 HG2 LYS A 41 15.519 -33.372 -45.896 1.00 0.00 H new ATOM 0 HG3 LYS A 41 14.297 -32.244 -46.448 1.00 0.00 H new ATOM 0 HD2 LYS A 41 14.765 -33.211 -48.473 1.00 0.00 H new ATOM 0 HD3 LYS A 41 15.999 -31.967 -48.518 1.00 0.00 H new ATOM 0 HE2 LYS A 41 16.756 -34.324 -49.130 1.00 0.00 H new ATOM 0 HE3 LYS A 41 17.732 -33.482 -47.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 16.793 -35.964 -47.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 17.232 -34.953 -46.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 15.603 -35.086 -46.820 1.00 0.00 H new ATOM 634 N LEU A 42 14.269 -29.622 -48.273 1.00 0.00 N ATOM 635 CA LEU A 42 13.040 -29.642 -49.058 1.00 0.00 C ATOM 636 C LEU A 42 13.256 -30.604 -50.231 1.00 0.00 C ATOM 637 O LEU A 42 14.364 -30.725 -50.750 1.00 0.00 O ATOM 638 CB LEU A 42 12.695 -28.182 -49.517 1.00 0.00 C ATOM 639 CG LEU A 42 11.560 -27.984 -50.603 1.00 0.00 C ATOM 640 CD1 LEU A 42 10.855 -26.614 -50.464 1.00 0.00 C ATOM 641 CD2 LEU A 42 12.113 -28.118 -52.035 1.00 0.00 C ATOM 0 H LEU A 42 15.096 -29.444 -48.843 1.00 0.00 H new ATOM 0 HA LEU A 42 12.188 -29.995 -48.478 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.410 -27.614 -48.631 1.00 0.00 H new ATOM 0 HB3 LEU A 42 13.608 -27.731 -49.905 1.00 0.00 H new ATOM 0 HG LEU A 42 10.832 -28.775 -50.423 1.00 0.00 H new ATOM 0 HD11 LEU A 42 10.084 -26.522 -51.229 1.00 0.00 H new ATOM 0 HD12 LEU A 42 10.398 -26.539 -49.477 1.00 0.00 H new ATOM 0 HD13 LEU A 42 11.586 -25.815 -50.587 1.00 0.00 H new ATOM 0 HD21 LEU A 42 11.304 -27.976 -52.752 1.00 0.00 H new ATOM 0 HD22 LEU A 42 12.882 -27.363 -52.200 1.00 0.00 H new ATOM 0 HD23 LEU A 42 12.545 -29.110 -52.167 1.00 0.00 H new ATOM 653 N PHE A 43 12.186 -31.287 -50.620 1.00 0.00 N ATOM 654 CA PHE A 43 12.127 -32.139 -51.813 1.00 0.00 C ATOM 655 C PHE A 43 10.912 -31.693 -52.656 1.00 0.00 C ATOM 656 O PHE A 43 9.881 -31.317 -52.092 1.00 0.00 O ATOM 657 CB PHE A 43 11.996 -33.629 -51.386 1.00 0.00 C ATOM 658 CG PHE A 43 11.684 -34.585 -52.539 1.00 0.00 C ATOM 659 CD1 PHE A 43 12.551 -34.706 -53.631 1.00 0.00 C ATOM 660 CD2 PHE A 43 10.502 -35.330 -52.555 1.00 0.00 C ATOM 661 CE1 PHE A 43 12.238 -35.529 -54.695 1.00 0.00 C ATOM 662 CE2 PHE A 43 10.199 -36.160 -53.617 1.00 0.00 C ATOM 663 CZ PHE A 43 11.062 -36.253 -54.688 1.00 0.00 C ATOM 0 H PHE A 43 11.307 -31.266 -50.103 1.00 0.00 H new ATOM 0 HA PHE A 43 13.036 -32.042 -52.406 1.00 0.00 H new ATOM 0 HB2 PHE A 43 12.925 -33.942 -50.910 1.00 0.00 H new ATOM 0 HB3 PHE A 43 11.210 -33.713 -50.636 1.00 0.00 H new ATOM 0 HD1 PHE A 43 13.476 -34.149 -53.642 1.00 0.00 H new ATOM 0 HD2 PHE A 43 9.815 -35.256 -51.725 1.00 0.00 H new ATOM 0 HE1 PHE A 43 12.914 -35.607 -55.534 1.00 0.00 H new ATOM 0 HE2 PHE A 43 9.286 -36.736 -53.608 1.00 0.00 H new ATOM 0 HZ PHE A 43 10.818 -36.893 -55.523 1.00 0.00 H new ATOM 673 N TYR A 44 11.044 -31.717 -53.994 1.00 0.00 N ATOM 674 CA TYR A 44 9.920 -31.438 -54.928 1.00 0.00 C ATOM 675 C TYR A 44 9.329 -32.763 -55.499 1.00 0.00 C ATOM 676 O TYR A 44 9.913 -33.350 -56.415 1.00 0.00 O ATOM 677 CB TYR A 44 10.388 -30.502 -56.082 1.00 0.00 C ATOM 678 CG TYR A 44 10.273 -28.997 -55.800 1.00 0.00 C ATOM 679 CD1 TYR A 44 11.358 -28.251 -55.343 1.00 0.00 C ATOM 680 CD2 TYR A 44 9.067 -28.324 -55.993 1.00 0.00 C ATOM 681 CE1 TYR A 44 11.241 -26.897 -55.093 1.00 0.00 C ATOM 682 CE2 TYR A 44 8.946 -26.971 -55.742 1.00 0.00 C ATOM 683 CZ TYR A 44 10.035 -26.263 -55.291 1.00 0.00 C ATOM 684 OH TYR A 44 9.926 -24.915 -55.047 1.00 0.00 O ATOM 0 H TYR A 44 11.924 -31.928 -54.464 1.00 0.00 H new ATOM 0 HA TYR A 44 9.133 -30.930 -54.371 1.00 0.00 H new ATOM 0 HB2 TYR A 44 11.428 -30.732 -56.314 1.00 0.00 H new ATOM 0 HB3 TYR A 44 9.804 -30.733 -56.973 1.00 0.00 H new ATOM 0 HD1 TYR A 44 12.307 -28.740 -55.181 1.00 0.00 H new ATOM 0 HD2 TYR A 44 8.207 -28.874 -56.347 1.00 0.00 H new ATOM 0 HE1 TYR A 44 12.095 -26.336 -54.743 1.00 0.00 H new ATOM 0 HE2 TYR A 44 8.001 -26.472 -55.899 1.00 0.00 H new ATOM 0 HH TYR A 44 9.011 -24.621 -55.237 1.00 0.00 H new ATOM 694 N PRO A 45 8.182 -33.277 -54.934 1.00 0.00 N ATOM 695 CA PRO A 45 7.445 -34.425 -55.506 1.00 0.00 C ATOM 696 C PRO A 45 6.500 -33.994 -56.651 1.00 0.00 C ATOM 697 O PRO A 45 5.334 -33.646 -56.427 1.00 0.00 O ATOM 698 CB PRO A 45 6.678 -34.985 -54.282 1.00 0.00 C ATOM 699 CG PRO A 45 6.384 -33.768 -53.449 1.00 0.00 C ATOM 700 CD PRO A 45 7.547 -32.814 -53.674 1.00 0.00 C ATOM 0 HA PRO A 45 8.095 -35.166 -55.972 1.00 0.00 H new ATOM 0 HB2 PRO A 45 5.762 -35.493 -54.583 1.00 0.00 H new ATOM 0 HB3 PRO A 45 7.278 -35.710 -53.732 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.441 -33.310 -53.747 1.00 0.00 H new ATOM 0 HG3 PRO A 45 6.293 -34.030 -52.395 1.00 0.00 H new ATOM 0 HD2 PRO A 45 7.202 -31.784 -53.761 1.00 0.00 H new ATOM 0 HD3 PRO A 45 8.251 -32.845 -52.842 1.00 0.00 H new ATOM 852 N GLU A 55 14.698 -31.406 -58.261 1.00 0.00 N ATOM 853 CA GLU A 55 15.475 -32.168 -57.275 1.00 0.00 C ATOM 854 C GLU A 55 15.264 -31.619 -55.841 1.00 0.00 C ATOM 855 O GLU A 55 14.333 -30.844 -55.566 1.00 0.00 O ATOM 856 CB GLU A 55 16.980 -32.140 -57.686 1.00 0.00 C ATOM 857 CG GLU A 55 17.634 -30.743 -57.617 1.00 0.00 C ATOM 858 CD GLU A 55 19.114 -30.755 -58.028 1.00 0.00 C ATOM 859 OE1 GLU A 55 19.448 -30.249 -59.124 1.00 0.00 O ATOM 860 OE2 GLU A 55 19.945 -31.301 -57.268 1.00 0.00 O ATOM 0 HA GLU A 55 15.128 -33.201 -57.264 1.00 0.00 H new ATOM 0 HB2 GLU A 55 17.534 -32.819 -57.038 1.00 0.00 H new ATOM 0 HB3 GLU A 55 17.074 -32.522 -58.703 1.00 0.00 H new ATOM 0 HG2 GLU A 55 17.087 -30.059 -58.266 1.00 0.00 H new ATOM 0 HG3 GLU A 55 17.547 -30.356 -56.602 1.00 0.00 H new ATOM 867 N VAL A 56 16.140 -32.051 -54.940 1.00 0.00 N ATOM 868 CA VAL A 56 16.132 -31.656 -53.540 1.00 0.00 C ATOM 869 C VAL A 56 16.795 -30.268 -53.398 1.00 0.00 C ATOM 870 O VAL A 56 17.801 -29.985 -54.047 1.00 0.00 O ATOM 871 CB VAL A 56 16.925 -32.728 -52.718 1.00 0.00 C ATOM 872 CG1 VAL A 56 17.123 -32.311 -51.251 1.00 0.00 C ATOM 873 CG2 VAL A 56 16.258 -34.128 -52.827 1.00 0.00 C ATOM 0 H VAL A 56 16.892 -32.701 -55.170 1.00 0.00 H new ATOM 0 HA VAL A 56 15.111 -31.594 -53.165 1.00 0.00 H new ATOM 0 HB VAL A 56 17.919 -32.796 -53.160 1.00 0.00 H new ATOM 0 HG11 VAL A 56 17.678 -33.087 -50.724 1.00 0.00 H new ATOM 0 HG12 VAL A 56 17.681 -31.375 -51.211 1.00 0.00 H new ATOM 0 HG13 VAL A 56 16.151 -32.175 -50.777 1.00 0.00 H new ATOM 0 HG21 VAL A 56 16.831 -34.850 -52.246 1.00 0.00 H new ATOM 0 HG22 VAL A 56 15.240 -34.077 -52.440 1.00 0.00 H new ATOM 0 HG23 VAL A 56 16.234 -34.439 -53.871 1.00 0.00 H new ATOM 883 N VAL A 57 16.195 -29.400 -52.574 1.00 0.00 N ATOM 884 CA VAL A 57 16.713 -28.050 -52.294 1.00 0.00 C ATOM 885 C VAL A 57 17.041 -27.958 -50.796 1.00 0.00 C ATOM 886 O VAL A 57 16.148 -28.075 -49.949 1.00 0.00 O ATOM 887 CB VAL A 57 15.675 -26.931 -52.702 1.00 0.00 C ATOM 888 CG1 VAL A 57 16.195 -25.502 -52.355 1.00 0.00 C ATOM 889 CG2 VAL A 57 15.288 -27.047 -54.208 1.00 0.00 C ATOM 0 H VAL A 57 15.330 -29.614 -52.078 1.00 0.00 H new ATOM 0 HA VAL A 57 17.611 -27.882 -52.889 1.00 0.00 H new ATOM 0 HB VAL A 57 14.773 -27.093 -52.112 1.00 0.00 H new ATOM 0 HG11 VAL A 57 15.451 -24.762 -52.652 1.00 0.00 H new ATOM 0 HG12 VAL A 57 16.371 -25.429 -51.282 1.00 0.00 H new ATOM 0 HG13 VAL A 57 17.127 -25.314 -52.889 1.00 0.00 H new ATOM 0 HG21 VAL A 57 14.573 -26.265 -54.461 1.00 0.00 H new ATOM 0 HG22 VAL A 57 16.181 -26.935 -54.823 1.00 0.00 H new ATOM 0 HG23 VAL A 57 14.840 -28.023 -54.394 1.00 0.00 H new ATOM 899 N PHE A 58 18.331 -27.785 -50.483 1.00 0.00 N ATOM 900 CA PHE A 58 18.815 -27.562 -49.110 1.00 0.00 C ATOM 901 C PHE A 58 18.952 -26.055 -48.857 1.00 0.00 C ATOM 902 O PHE A 58 19.787 -25.403 -49.478 1.00 0.00 O ATOM 903 CB PHE A 58 20.184 -28.271 -48.878 1.00 0.00 C ATOM 904 CG PHE A 58 20.086 -29.729 -48.436 1.00 0.00 C ATOM 905 CD1 PHE A 58 19.933 -30.758 -49.361 1.00 0.00 C ATOM 906 CD2 PHE A 58 20.161 -30.069 -47.082 1.00 0.00 C ATOM 907 CE1 PHE A 58 19.866 -32.077 -48.951 1.00 0.00 C ATOM 908 CE2 PHE A 58 20.088 -31.387 -46.677 1.00 0.00 C ATOM 909 CZ PHE A 58 19.942 -32.389 -47.611 1.00 0.00 C ATOM 0 H PHE A 58 19.076 -27.795 -51.179 1.00 0.00 H new ATOM 0 HA PHE A 58 18.094 -27.987 -48.412 1.00 0.00 H new ATOM 0 HB2 PHE A 58 20.762 -28.224 -49.801 1.00 0.00 H new ATOM 0 HB3 PHE A 58 20.742 -27.715 -48.124 1.00 0.00 H new ATOM 0 HD1 PHE A 58 19.866 -30.523 -50.413 1.00 0.00 H new ATOM 0 HD2 PHE A 58 20.278 -29.290 -46.343 1.00 0.00 H new ATOM 0 HE1 PHE A 58 19.754 -32.864 -49.682 1.00 0.00 H new ATOM 0 HE2 PHE A 58 20.145 -31.633 -45.627 1.00 0.00 H new ATOM 0 HZ PHE A 58 19.887 -33.420 -47.293 1.00 0.00 H new ATOM 919 N VAL A 59 18.148 -25.514 -47.932 1.00 0.00 N ATOM 920 CA VAL A 59 18.238 -24.110 -47.518 1.00 0.00 C ATOM 921 C VAL A 59 19.399 -23.945 -46.525 1.00 0.00 C ATOM 922 O VAL A 59 19.511 -24.689 -45.552 1.00 0.00 O ATOM 923 CB VAL A 59 16.871 -23.604 -46.910 1.00 0.00 C ATOM 924 CG1 VAL A 59 17.049 -22.418 -45.919 1.00 0.00 C ATOM 925 CG2 VAL A 59 15.877 -23.231 -48.036 1.00 0.00 C ATOM 0 H VAL A 59 17.417 -26.038 -47.451 1.00 0.00 H new ATOM 0 HA VAL A 59 18.438 -23.491 -48.393 1.00 0.00 H new ATOM 0 HB VAL A 59 16.461 -24.433 -46.333 1.00 0.00 H new ATOM 0 HG11 VAL A 59 16.075 -22.115 -45.535 1.00 0.00 H new ATOM 0 HG12 VAL A 59 17.685 -22.729 -45.090 1.00 0.00 H new ATOM 0 HG13 VAL A 59 17.512 -21.578 -46.436 1.00 0.00 H new ATOM 0 HG21 VAL A 59 14.942 -22.885 -47.596 1.00 0.00 H new ATOM 0 HG22 VAL A 59 16.304 -22.438 -48.650 1.00 0.00 H new ATOM 0 HG23 VAL A 59 15.684 -24.107 -48.656 1.00 0.00 H new ATOM 935 N ALA A 60 20.250 -22.954 -46.812 1.00 0.00 N ATOM 936 CA ALA A 60 21.483 -22.683 -46.063 1.00 0.00 C ATOM 937 C ALA A 60 21.196 -21.818 -44.822 1.00 0.00 C ATOM 938 O ALA A 60 20.221 -21.053 -44.832 1.00 0.00 O ATOM 939 CB ALA A 60 22.496 -21.988 -46.985 1.00 0.00 C ATOM 0 H ALA A 60 20.099 -22.306 -47.585 1.00 0.00 H new ATOM 0 HA ALA A 60 21.901 -23.628 -45.716 1.00 0.00 H new ATOM 0 HB1 ALA A 60 23.413 -21.786 -46.431 1.00 0.00 H new ATOM 0 HB2 ALA A 60 22.720 -22.635 -47.833 1.00 0.00 H new ATOM 0 HB3 ALA A 60 22.075 -21.049 -47.346 1.00 0.00 H new ATOM 945 N PRO A 61 22.049 -21.914 -43.743 1.00 0.00 N ATOM 946 CA PRO A 61 21.903 -21.077 -42.518 1.00 0.00 C ATOM 947 C PRO A 61 22.028 -19.562 -42.800 1.00 0.00 C ATOM 948 O PRO A 61 21.383 -18.742 -42.139 1.00 0.00 O ATOM 949 CB PRO A 61 23.058 -21.580 -41.595 1.00 0.00 C ATOM 950 CG PRO A 61 24.035 -22.238 -42.522 1.00 0.00 C ATOM 951 CD PRO A 61 23.187 -22.875 -43.599 1.00 0.00 C ATOM 0 HA PRO A 61 20.913 -21.181 -42.073 1.00 0.00 H new ATOM 0 HB2 PRO A 61 23.521 -20.754 -41.055 1.00 0.00 H new ATOM 0 HB3 PRO A 61 22.689 -22.282 -40.847 1.00 0.00 H new ATOM 0 HG2 PRO A 61 24.729 -21.511 -42.945 1.00 0.00 H new ATOM 0 HG3 PRO A 61 24.634 -22.984 -41.999 1.00 0.00 H new ATOM 0 HD2 PRO A 61 23.739 -22.990 -44.532 1.00 0.00 H new ATOM 0 HD3 PRO A 61 22.843 -23.867 -43.308 1.00 0.00 H new ATOM 959 N THR A 62 22.863 -19.204 -43.795 1.00 0.00 N ATOM 960 CA THR A 62 23.088 -17.799 -44.189 1.00 0.00 C ATOM 961 C THR A 62 22.006 -17.304 -45.183 1.00 0.00 C ATOM 962 O THR A 62 21.981 -16.119 -45.543 1.00 0.00 O ATOM 963 CB THR A 62 24.523 -17.617 -44.796 1.00 0.00 C ATOM 964 OG1 THR A 62 24.828 -16.222 -44.946 1.00 0.00 O ATOM 965 CG2 THR A 62 24.687 -18.317 -46.156 1.00 0.00 C ATOM 0 H THR A 62 23.398 -19.876 -44.345 1.00 0.00 H new ATOM 0 HA THR A 62 23.012 -17.189 -43.289 1.00 0.00 H new ATOM 0 HB THR A 62 25.216 -18.083 -44.096 1.00 0.00 H new ATOM 0 HG1 THR A 62 24.033 -15.746 -45.265 1.00 0.00 H new ATOM 0 HG21 THR A 62 25.699 -18.157 -46.528 1.00 0.00 H new ATOM 0 HG22 THR A 62 24.508 -19.386 -46.039 1.00 0.00 H new ATOM 0 HG23 THR A 62 23.970 -17.905 -46.866 1.00 0.00 H new ATOM 973 N GLY A 63 21.123 -18.227 -45.640 1.00 0.00 N ATOM 974 CA GLY A 63 20.042 -17.892 -46.576 1.00 0.00 C ATOM 975 C GLY A 63 20.418 -18.130 -48.041 1.00 0.00 C ATOM 976 O GLY A 63 19.530 -18.241 -48.889 1.00 0.00 O ATOM 0 H GLY A 63 21.146 -19.210 -45.369 1.00 0.00 H new ATOM 0 HA2 GLY A 63 19.162 -18.487 -46.332 1.00 0.00 H new ATOM 0 HA3 GLY A 63 19.767 -16.846 -46.444 1.00 0.00 H new ATOM 980 N GLU A 64 21.740 -18.198 -48.329 1.00 0.00 N ATOM 981 CA GLU A 64 22.289 -18.515 -49.673 1.00 0.00 C ATOM 982 C GLU A 64 22.003 -20.000 -49.999 1.00 0.00 C ATOM 983 O GLU A 64 22.882 -20.864 -49.891 1.00 0.00 O ATOM 984 CB GLU A 64 23.821 -18.194 -49.696 1.00 0.00 C ATOM 985 CG GLU A 64 24.556 -18.456 -51.029 1.00 0.00 C ATOM 986 CD GLU A 64 26.064 -18.152 -50.948 1.00 0.00 C ATOM 987 OE1 GLU A 64 26.848 -19.028 -50.513 1.00 0.00 O ATOM 988 OE2 GLU A 64 26.477 -17.025 -51.302 1.00 0.00 O ATOM 0 H GLU A 64 22.464 -18.033 -47.629 1.00 0.00 H new ATOM 0 HA GLU A 64 21.811 -17.904 -50.439 1.00 0.00 H new ATOM 0 HB2 GLU A 64 23.955 -17.145 -49.432 1.00 0.00 H new ATOM 0 HB3 GLU A 64 24.305 -18.783 -48.917 1.00 0.00 H new ATOM 0 HG2 GLU A 64 24.415 -19.497 -51.318 1.00 0.00 H new ATOM 0 HG3 GLU A 64 24.108 -17.844 -51.812 1.00 0.00 H new ATOM 995 N GLU A 65 20.737 -20.284 -50.347 1.00 0.00 N ATOM 996 CA GLU A 65 20.215 -21.656 -50.420 1.00 0.00 C ATOM 997 C GLU A 65 20.717 -22.383 -51.671 1.00 0.00 C ATOM 998 O GLU A 65 20.990 -21.777 -52.713 1.00 0.00 O ATOM 999 CB GLU A 65 18.665 -21.660 -50.350 1.00 0.00 C ATOM 1000 CG GLU A 65 17.942 -21.081 -51.581 1.00 0.00 C ATOM 1001 CD GLU A 65 16.417 -21.010 -51.388 1.00 0.00 C ATOM 1002 OE1 GLU A 65 15.735 -22.049 -51.532 1.00 0.00 O ATOM 1003 OE2 GLU A 65 15.897 -19.917 -51.078 1.00 0.00 O ATOM 0 H GLU A 65 20.049 -19.570 -50.585 1.00 0.00 H new ATOM 0 HA GLU A 65 20.593 -22.202 -49.556 1.00 0.00 H new ATOM 0 HB2 GLU A 65 18.328 -22.686 -50.203 1.00 0.00 H new ATOM 0 HB3 GLU A 65 18.357 -21.094 -49.471 1.00 0.00 H new ATOM 0 HG2 GLU A 65 18.326 -20.082 -51.788 1.00 0.00 H new ATOM 0 HG3 GLU A 65 18.167 -21.695 -52.453 1.00 0.00 H new ATOM 1010 N ILE A 66 20.834 -23.693 -51.523 1.00 0.00 N ATOM 1011 CA ILE A 66 21.371 -24.603 -52.523 1.00 0.00 C ATOM 1012 C ILE A 66 20.217 -25.338 -53.222 1.00 0.00 C ATOM 1013 O ILE A 66 19.422 -26.006 -52.558 1.00 0.00 O ATOM 1014 CB ILE A 66 22.317 -25.640 -51.823 1.00 0.00 C ATOM 1015 CG1 ILE A 66 23.420 -24.923 -50.963 1.00 0.00 C ATOM 1016 CG2 ILE A 66 22.922 -26.612 -52.847 1.00 0.00 C ATOM 1017 CD1 ILE A 66 24.272 -23.910 -51.697 1.00 0.00 C ATOM 0 H ILE A 66 20.546 -24.171 -50.669 1.00 0.00 H new ATOM 0 HA ILE A 66 21.937 -24.041 -53.266 1.00 0.00 H new ATOM 0 HB ILE A 66 21.716 -26.231 -51.132 1.00 0.00 H new ATOM 0 HG12 ILE A 66 22.933 -24.422 -50.126 1.00 0.00 H new ATOM 0 HG13 ILE A 66 24.076 -25.684 -50.541 1.00 0.00 H new ATOM 0 HG21 ILE A 66 23.574 -27.320 -52.335 1.00 0.00 H new ATOM 0 HG22 ILE A 66 22.122 -27.154 -53.351 1.00 0.00 H new ATOM 0 HG23 ILE A 66 23.500 -26.052 -53.582 1.00 0.00 H new ATOM 0 HD11 ILE A 66 24.998 -23.478 -51.008 1.00 0.00 H new ATOM 0 HD12 ILE A 66 24.797 -24.401 -52.516 1.00 0.00 H new ATOM 0 HD13 ILE A 66 23.636 -23.120 -52.096 1.00 0.00 H new ATOM 1029 N SER A 67 20.150 -25.225 -54.556 1.00 0.00 N ATOM 1030 CA SER A 67 19.094 -25.861 -55.368 1.00 0.00 C ATOM 1031 C SER A 67 19.640 -27.080 -56.129 1.00 0.00 C ATOM 1032 O SER A 67 18.887 -27.745 -56.841 1.00 0.00 O ATOM 1033 CB SER A 67 18.524 -24.822 -56.360 1.00 0.00 C ATOM 1034 OG SER A 67 18.070 -23.670 -55.674 1.00 0.00 O ATOM 0 H SER A 67 20.824 -24.692 -55.105 1.00 0.00 H new ATOM 0 HA SER A 67 18.302 -26.211 -54.706 1.00 0.00 H new ATOM 0 HB2 SER A 67 19.291 -24.542 -57.082 1.00 0.00 H new ATOM 0 HB3 SER A 67 17.702 -25.263 -56.924 1.00 0.00 H new ATOM 0 HG SER A 67 17.715 -23.024 -56.319 1.00 0.00 H new ATOM 1040 N ASN A 68 20.955 -27.357 -55.970 1.00 0.00 N ATOM 1041 CA ASN A 68 21.652 -28.410 -56.728 1.00 0.00 C ATOM 1042 C ASN A 68 22.926 -28.870 -56.000 1.00 0.00 C ATOM 1043 O ASN A 68 23.639 -28.060 -55.409 1.00 0.00 O ATOM 1044 CB ASN A 68 21.986 -27.939 -58.171 1.00 0.00 C ATOM 1045 CG ASN A 68 22.764 -26.622 -58.237 1.00 0.00 C ATOM 1046 OD1 ASN A 68 22.515 -25.692 -57.462 1.00 0.00 O ATOM 1047 ND2 ASN A 68 23.724 -26.536 -59.137 1.00 0.00 N ATOM 0 H ASN A 68 21.556 -26.857 -55.315 1.00 0.00 H new ATOM 0 HA ASN A 68 20.976 -29.262 -56.799 1.00 0.00 H new ATOM 0 HB2 ASN A 68 22.566 -28.716 -58.670 1.00 0.00 H new ATOM 0 HB3 ASN A 68 21.056 -27.827 -58.729 1.00 0.00 H new ATOM 0 HD21 ASN A 68 24.283 -25.686 -59.206 1.00 0.00 H new ATOM 0 HD22 ASN A 68 23.907 -27.320 -59.764 1.00 0.00 H new ATOM 1054 N ARG A 69 23.228 -30.174 -56.134 1.00 0.00 N ATOM 1055 CA ARG A 69 24.230 -30.899 -55.318 1.00 0.00 C ATOM 1056 C ARG A 69 25.674 -30.344 -55.457 1.00 0.00 C ATOM 1057 O ARG A 69 26.458 -30.404 -54.499 1.00 0.00 O ATOM 1058 CB ARG A 69 24.168 -32.401 -55.682 1.00 0.00 C ATOM 1059 CG ARG A 69 25.015 -33.314 -54.775 1.00 0.00 C ATOM 1060 CD ARG A 69 25.013 -34.775 -55.215 1.00 0.00 C ATOM 1061 NE ARG A 69 25.620 -34.952 -56.552 1.00 0.00 N ATOM 1062 CZ ARG A 69 25.992 -36.125 -57.076 1.00 0.00 C ATOM 1063 NH1 ARG A 69 25.857 -37.249 -56.379 1.00 0.00 N ATOM 1064 NH2 ARG A 69 26.496 -36.164 -58.297 1.00 0.00 N ATOM 0 H ARG A 69 22.775 -30.770 -56.827 1.00 0.00 H new ATOM 0 HA ARG A 69 23.974 -30.750 -54.269 1.00 0.00 H new ATOM 0 HB2 ARG A 69 23.130 -32.730 -55.639 1.00 0.00 H new ATOM 0 HB3 ARG A 69 24.499 -32.526 -56.713 1.00 0.00 H new ATOM 0 HG2 ARG A 69 26.042 -32.948 -54.761 1.00 0.00 H new ATOM 0 HG3 ARG A 69 24.639 -33.249 -53.754 1.00 0.00 H new ATOM 0 HD2 ARG A 69 25.560 -35.374 -54.487 1.00 0.00 H new ATOM 0 HD3 ARG A 69 23.989 -35.148 -55.230 1.00 0.00 H new ATOM 0 HE ARG A 69 25.766 -34.116 -57.118 1.00 0.00 H new ATOM 0 HH11 ARG A 69 25.467 -37.221 -55.437 1.00 0.00 H new ATOM 0 HH12 ARG A 69 26.143 -38.139 -56.786 1.00 0.00 H new ATOM 0 HH21 ARG A 69 26.599 -35.303 -58.834 1.00 0.00 H new ATOM 0 HH22 ARG A 69 26.782 -37.055 -58.703 1.00 0.00 H new ATOM 1078 N LYS A 70 26.004 -29.792 -56.642 1.00 0.00 N ATOM 1079 CA LYS A 70 27.328 -29.164 -56.907 1.00 0.00 C ATOM 1080 C LYS A 70 27.524 -27.958 -55.968 1.00 0.00 C ATOM 1081 O LYS A 70 28.553 -27.842 -55.292 1.00 0.00 O ATOM 1082 CB LYS A 70 27.435 -28.728 -58.407 1.00 0.00 C ATOM 1083 CG LYS A 70 28.870 -28.415 -58.955 1.00 0.00 C ATOM 1084 CD LYS A 70 29.479 -27.068 -58.465 1.00 0.00 C ATOM 1085 CE LYS A 70 30.866 -26.772 -59.067 1.00 0.00 C ATOM 1086 NZ LYS A 70 31.837 -27.867 -58.807 1.00 0.00 N ATOM 0 H LYS A 70 25.370 -29.765 -57.441 1.00 0.00 H new ATOM 0 HA LYS A 70 28.117 -29.891 -56.713 1.00 0.00 H new ATOM 0 HB2 LYS A 70 27.002 -29.518 -59.021 1.00 0.00 H new ATOM 0 HB3 LYS A 70 26.818 -27.841 -58.547 1.00 0.00 H new ATOM 0 HG2 LYS A 70 29.539 -29.226 -58.666 1.00 0.00 H new ATOM 0 HG3 LYS A 70 28.833 -28.406 -60.044 1.00 0.00 H new ATOM 0 HD2 LYS A 70 28.799 -26.255 -58.720 1.00 0.00 H new ATOM 0 HD3 LYS A 70 29.559 -27.087 -57.378 1.00 0.00 H new ATOM 0 HE2 LYS A 70 30.769 -26.623 -60.142 1.00 0.00 H new ATOM 0 HE3 LYS A 70 31.250 -25.841 -58.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 32.783 -27.575 -59.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 31.862 -28.074 -57.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 31.546 -28.720 -59.326 1.00 0.00 H new ATOM 1100 N GLN A 71 26.492 -27.088 -55.919 1.00 0.00 N ATOM 1101 CA GLN A 71 26.516 -25.839 -55.140 1.00 0.00 C ATOM 1102 C GLN A 71 26.570 -26.118 -53.628 1.00 0.00 C ATOM 1103 O GLN A 71 27.017 -25.265 -52.866 1.00 0.00 O ATOM 1104 CB GLN A 71 25.316 -24.939 -55.516 1.00 0.00 C ATOM 1105 CG GLN A 71 25.389 -24.377 -56.956 1.00 0.00 C ATOM 1106 CD GLN A 71 26.516 -23.359 -57.188 1.00 0.00 C ATOM 1107 OE1 GLN A 71 26.892 -22.615 -56.290 1.00 0.00 O ATOM 1108 NE2 GLN A 71 27.047 -23.304 -58.403 1.00 0.00 N ATOM 0 H GLN A 71 25.617 -27.236 -56.422 1.00 0.00 H new ATOM 0 HA GLN A 71 27.428 -25.299 -55.394 1.00 0.00 H new ATOM 0 HB2 GLN A 71 24.395 -25.511 -55.405 1.00 0.00 H new ATOM 0 HB3 GLN A 71 25.262 -24.108 -54.813 1.00 0.00 H new ATOM 0 HG2 GLN A 71 25.519 -25.207 -57.650 1.00 0.00 H new ATOM 0 HG3 GLN A 71 24.436 -23.906 -57.197 1.00 0.00 H new ATOM 0 HE21 GLN A 71 26.716 -23.935 -59.133 1.00 0.00 H new ATOM 0 HE22 GLN A 71 27.786 -22.631 -58.607 1.00 0.00 H new ATOM 1117 N LEU A 72 26.144 -27.329 -53.223 1.00 0.00 N ATOM 1118 CA LEU A 72 26.237 -27.790 -51.823 1.00 0.00 C ATOM 1119 C LEU A 72 27.724 -27.923 -51.440 1.00 0.00 C ATOM 1120 O LEU A 72 28.177 -27.312 -50.472 1.00 0.00 O ATOM 1121 CB LEU A 72 25.478 -29.156 -51.648 1.00 0.00 C ATOM 1122 CG LEU A 72 24.966 -29.537 -50.211 1.00 0.00 C ATOM 1123 CD1 LEU A 72 26.091 -29.640 -49.173 1.00 0.00 C ATOM 1124 CD2 LEU A 72 23.863 -28.571 -49.748 1.00 0.00 C ATOM 0 H LEU A 72 25.727 -28.014 -53.853 1.00 0.00 H new ATOM 0 HA LEU A 72 25.764 -27.065 -51.160 1.00 0.00 H new ATOM 0 HB2 LEU A 72 24.618 -29.148 -52.318 1.00 0.00 H new ATOM 0 HB3 LEU A 72 26.140 -29.952 -51.989 1.00 0.00 H new ATOM 0 HG LEU A 72 24.541 -30.537 -50.290 1.00 0.00 H new ATOM 0 HD11 LEU A 72 25.669 -29.906 -48.204 1.00 0.00 H new ATOM 0 HD12 LEU A 72 26.802 -30.407 -49.482 1.00 0.00 H new ATOM 0 HD13 LEU A 72 26.603 -28.681 -49.095 1.00 0.00 H new ATOM 0 HD21 LEU A 72 23.525 -28.855 -48.751 1.00 0.00 H new ATOM 0 HD22 LEU A 72 24.257 -27.555 -49.722 1.00 0.00 H new ATOM 0 HD23 LEU A 72 23.024 -28.617 -50.442 1.00 0.00 H new ATOM 1136 N GLU A 73 28.463 -28.708 -52.246 1.00 0.00 N ATOM 1137 CA GLU A 73 29.888 -29.032 -52.003 1.00 0.00 C ATOM 1138 C GLU A 73 30.744 -27.755 -51.955 1.00 0.00 C ATOM 1139 O GLU A 73 31.505 -27.533 -50.998 1.00 0.00 O ATOM 1140 CB GLU A 73 30.403 -29.981 -53.118 1.00 0.00 C ATOM 1141 CG GLU A 73 29.590 -31.272 -53.273 1.00 0.00 C ATOM 1142 CD GLU A 73 30.026 -32.121 -54.475 1.00 0.00 C ATOM 1143 OE1 GLU A 73 29.729 -31.726 -55.624 1.00 0.00 O ATOM 1144 OE2 GLU A 73 30.680 -33.175 -54.288 1.00 0.00 O ATOM 0 H GLU A 73 28.089 -29.140 -53.091 1.00 0.00 H new ATOM 0 HA GLU A 73 29.972 -29.529 -51.036 1.00 0.00 H new ATOM 0 HB2 GLU A 73 30.396 -29.445 -54.067 1.00 0.00 H new ATOM 0 HB3 GLU A 73 31.440 -30.242 -52.907 1.00 0.00 H new ATOM 0 HG2 GLU A 73 29.686 -31.865 -52.364 1.00 0.00 H new ATOM 0 HG3 GLU A 73 28.535 -31.019 -53.379 1.00 0.00 H new ATOM 1151 N GLN A 74 30.566 -26.901 -52.981 1.00 0.00 N ATOM 1152 CA GLN A 74 31.339 -25.663 -53.131 1.00 0.00 C ATOM 1153 C GLN A 74 30.993 -24.644 -52.019 1.00 0.00 C ATOM 1154 O GLN A 74 31.823 -23.793 -51.677 1.00 0.00 O ATOM 1155 CB GLN A 74 31.186 -25.068 -54.572 1.00 0.00 C ATOM 1156 CG GLN A 74 29.778 -24.575 -55.003 1.00 0.00 C ATOM 1157 CD GLN A 74 29.383 -23.161 -54.526 1.00 0.00 C ATOM 1158 OE1 GLN A 74 28.788 -22.981 -53.466 1.00 0.00 O ATOM 1159 NE2 GLN A 74 29.705 -22.153 -55.310 1.00 0.00 N ATOM 0 H GLN A 74 29.884 -27.053 -53.724 1.00 0.00 H new ATOM 0 HA GLN A 74 32.395 -25.905 -53.008 1.00 0.00 H new ATOM 0 HB2 GLN A 74 31.877 -24.230 -54.664 1.00 0.00 H new ATOM 0 HB3 GLN A 74 31.508 -25.827 -55.284 1.00 0.00 H new ATOM 0 HG2 GLN A 74 29.724 -24.599 -56.091 1.00 0.00 H new ATOM 0 HG3 GLN A 74 29.037 -25.283 -54.631 1.00 0.00 H new ATOM 0 HE21 GLN A 74 30.199 -22.325 -56.186 1.00 0.00 H new ATOM 0 HE22 GLN A 74 29.460 -21.200 -55.042 1.00 0.00 H new ATOM 1168 N TYR A 75 29.761 -24.750 -51.461 1.00 0.00 N ATOM 1169 CA TYR A 75 29.329 -23.951 -50.299 1.00 0.00 C ATOM 1170 C TYR A 75 30.145 -24.356 -49.064 1.00 0.00 C ATOM 1171 O TYR A 75 30.705 -23.497 -48.395 1.00 0.00 O ATOM 1172 CB TYR A 75 27.804 -24.136 -50.040 1.00 0.00 C ATOM 1173 CG TYR A 75 27.220 -23.331 -48.863 1.00 0.00 C ATOM 1174 CD1 TYR A 75 26.534 -22.127 -49.059 1.00 0.00 C ATOM 1175 CD2 TYR A 75 27.338 -23.787 -47.548 1.00 0.00 C ATOM 1176 CE1 TYR A 75 25.991 -21.430 -47.995 1.00 0.00 C ATOM 1177 CE2 TYR A 75 26.805 -23.087 -46.492 1.00 0.00 C ATOM 1178 CZ TYR A 75 26.135 -21.916 -46.714 1.00 0.00 C ATOM 1179 OH TYR A 75 25.588 -21.240 -45.647 1.00 0.00 O ATOM 0 H TYR A 75 29.046 -25.390 -51.806 1.00 0.00 H new ATOM 0 HA TYR A 75 29.505 -22.896 -50.508 1.00 0.00 H new ATOM 0 HB2 TYR A 75 27.265 -23.861 -50.946 1.00 0.00 H new ATOM 0 HB3 TYR A 75 27.611 -25.194 -49.863 1.00 0.00 H new ATOM 0 HD1 TYR A 75 26.427 -21.735 -50.060 1.00 0.00 H new ATOM 0 HD2 TYR A 75 27.861 -24.712 -47.356 1.00 0.00 H new ATOM 0 HE1 TYR A 75 25.456 -20.508 -48.168 1.00 0.00 H new ATOM 0 HE2 TYR A 75 26.916 -23.462 -45.485 1.00 0.00 H new ATOM 0 HH TYR A 75 25.784 -21.724 -44.818 1.00 0.00 H new ATOM 1189 N LEU A 76 30.212 -25.682 -48.796 1.00 0.00 N ATOM 1190 CA LEU A 76 30.842 -26.237 -47.570 1.00 0.00 C ATOM 1191 C LEU A 76 32.315 -25.819 -47.444 1.00 0.00 C ATOM 1192 O LEU A 76 32.768 -25.455 -46.356 1.00 0.00 O ATOM 1193 CB LEU A 76 30.741 -27.784 -47.549 1.00 0.00 C ATOM 1194 CG LEU A 76 29.309 -28.383 -47.625 1.00 0.00 C ATOM 1195 CD1 LEU A 76 29.368 -29.921 -47.588 1.00 0.00 C ATOM 1196 CD2 LEU A 76 28.381 -27.804 -46.527 1.00 0.00 C ATOM 0 H LEU A 76 29.833 -26.395 -49.419 1.00 0.00 H new ATOM 0 HA LEU A 76 30.295 -25.827 -46.721 1.00 0.00 H new ATOM 0 HB2 LEU A 76 31.320 -28.176 -48.385 1.00 0.00 H new ATOM 0 HB3 LEU A 76 31.215 -28.145 -46.636 1.00 0.00 H new ATOM 0 HG LEU A 76 28.869 -28.090 -48.578 1.00 0.00 H new ATOM 0 HD11 LEU A 76 28.357 -30.325 -47.642 1.00 0.00 H new ATOM 0 HD12 LEU A 76 29.950 -30.283 -48.436 1.00 0.00 H new ATOM 0 HD13 LEU A 76 29.839 -30.245 -46.660 1.00 0.00 H new ATOM 0 HD21 LEU A 76 27.390 -28.249 -46.616 1.00 0.00 H new ATOM 0 HD22 LEU A 76 28.794 -28.032 -45.544 1.00 0.00 H new ATOM 0 HD23 LEU A 76 28.305 -26.723 -46.647 1.00 0.00 H new ATOM 1208 N LYS A 77 33.052 -25.878 -48.570 1.00 0.00 N ATOM 1209 CA LYS A 77 34.485 -25.518 -48.588 1.00 0.00 C ATOM 1210 C LYS A 77 34.680 -24.003 -48.344 1.00 0.00 C ATOM 1211 O LYS A 77 35.578 -23.602 -47.597 1.00 0.00 O ATOM 1212 CB LYS A 77 35.168 -25.941 -49.920 1.00 0.00 C ATOM 1213 CG LYS A 77 34.602 -25.252 -51.183 1.00 0.00 C ATOM 1214 CD LYS A 77 35.468 -25.455 -52.435 1.00 0.00 C ATOM 1215 CE LYS A 77 34.936 -24.680 -53.655 1.00 0.00 C ATOM 1216 NZ LYS A 77 35.805 -24.856 -54.836 1.00 0.00 N ATOM 0 H LYS A 77 32.682 -26.170 -49.475 1.00 0.00 H new ATOM 0 HA LYS A 77 34.963 -26.066 -47.777 1.00 0.00 H new ATOM 0 HB2 LYS A 77 36.234 -25.724 -49.851 1.00 0.00 H new ATOM 0 HB3 LYS A 77 35.069 -27.020 -50.036 1.00 0.00 H new ATOM 0 HG2 LYS A 77 33.601 -25.636 -51.378 1.00 0.00 H new ATOM 0 HG3 LYS A 77 34.502 -24.184 -50.990 1.00 0.00 H new ATOM 0 HD2 LYS A 77 36.488 -25.135 -52.222 1.00 0.00 H new ATOM 0 HD3 LYS A 77 35.511 -26.518 -52.674 1.00 0.00 H new ATOM 0 HE2 LYS A 77 33.928 -25.021 -53.891 1.00 0.00 H new ATOM 0 HE3 LYS A 77 34.865 -23.620 -53.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 35.415 -24.320 -55.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 36.761 -24.508 -54.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 35.852 -25.865 -55.085 1.00 0.00 H new ATOM 1230 N SER A 78 33.811 -23.168 -48.961 1.00 0.00 N ATOM 1231 CA SER A 78 33.918 -21.684 -48.865 1.00 0.00 C ATOM 1232 C SER A 78 33.214 -21.133 -47.605 1.00 0.00 C ATOM 1233 O SER A 78 33.366 -19.951 -47.267 1.00 0.00 O ATOM 1234 CB SER A 78 33.353 -21.028 -50.147 1.00 0.00 C ATOM 1235 OG SER A 78 32.004 -21.383 -50.361 1.00 0.00 O ATOM 0 H SER A 78 33.029 -23.491 -49.530 1.00 0.00 H new ATOM 0 HA SER A 78 34.974 -21.430 -48.773 1.00 0.00 H new ATOM 0 HB2 SER A 78 33.437 -19.944 -50.069 1.00 0.00 H new ATOM 0 HB3 SER A 78 33.951 -21.333 -51.006 1.00 0.00 H new ATOM 0 HG SER A 78 31.963 -22.209 -50.887 1.00 0.00 H new ATOM 1241 N HIS A 79 32.447 -22.003 -46.922 1.00 0.00 N ATOM 1242 CA HIS A 79 31.733 -21.679 -45.664 1.00 0.00 C ATOM 1243 C HIS A 79 32.049 -22.775 -44.617 1.00 0.00 C ATOM 1244 O HIS A 79 31.294 -23.757 -44.500 1.00 0.00 O ATOM 1245 CB HIS A 79 30.189 -21.570 -45.874 1.00 0.00 C ATOM 1246 CG HIS A 79 29.743 -20.513 -46.855 1.00 0.00 C ATOM 1247 ND1 HIS A 79 29.183 -19.319 -46.465 1.00 0.00 N ATOM 1248 CD2 HIS A 79 29.721 -20.502 -48.213 1.00 0.00 C ATOM 1249 CE1 HIS A 79 28.838 -18.629 -47.534 1.00 0.00 C ATOM 1250 NE2 HIS A 79 29.153 -19.318 -48.608 1.00 0.00 N ATOM 0 H HIS A 79 32.301 -22.965 -47.229 1.00 0.00 H new ATOM 0 HA HIS A 79 32.077 -20.705 -45.315 1.00 0.00 H new ATOM 0 HB2 HIS A 79 29.816 -22.537 -46.213 1.00 0.00 H new ATOM 0 HB3 HIS A 79 29.722 -21.368 -44.910 1.00 0.00 H new ATOM 0 HD2 HIS A 79 30.085 -21.284 -48.863 1.00 0.00 H new ATOM 0 HE1 HIS A 79 28.372 -17.655 -47.528 1.00 0.00 H new ATOM 0 HE2 HIS A 79 29.001 -19.022 -49.572 1.00 0.00 H new ATOM 1259 N PRO A 80 33.204 -22.658 -43.881 1.00 0.00 N ATOM 1260 CA PRO A 80 33.590 -23.640 -42.833 1.00 0.00 C ATOM 1261 C PRO A 80 32.635 -23.586 -41.615 1.00 0.00 C ATOM 1262 O PRO A 80 32.096 -22.524 -41.281 1.00 0.00 O ATOM 1263 CB PRO A 80 35.048 -23.222 -42.472 1.00 0.00 C ATOM 1264 CG PRO A 80 35.121 -21.760 -42.807 1.00 0.00 C ATOM 1265 CD PRO A 80 34.223 -21.572 -44.017 1.00 0.00 C ATOM 0 HA PRO A 80 33.527 -24.675 -43.170 1.00 0.00 H new ATOM 0 HB2 PRO A 80 35.260 -23.397 -41.417 1.00 0.00 H new ATOM 0 HB3 PRO A 80 35.777 -23.796 -43.044 1.00 0.00 H new ATOM 0 HG2 PRO A 80 34.783 -21.149 -41.970 1.00 0.00 H new ATOM 0 HG3 PRO A 80 36.145 -21.459 -43.029 1.00 0.00 H new ATOM 0 HD2 PRO A 80 33.758 -20.586 -44.020 1.00 0.00 H new ATOM 0 HD3 PRO A 80 34.783 -21.664 -44.948 1.00 0.00 H new ATOM 1273 N GLY A 81 32.423 -24.750 -40.979 1.00 0.00 N ATOM 1274 CA GLY A 81 31.498 -24.881 -39.843 1.00 0.00 C ATOM 1275 C GLY A 81 30.155 -25.495 -40.243 1.00 0.00 C ATOM 1276 O GLY A 81 29.312 -25.761 -39.379 1.00 0.00 O ATOM 0 H GLY A 81 32.886 -25.622 -41.237 1.00 0.00 H new ATOM 0 HA2 GLY A 81 31.960 -25.498 -39.073 1.00 0.00 H new ATOM 0 HA3 GLY A 81 31.327 -23.898 -39.404 1.00 0.00 H new ATOM 1280 N ASN A 82 29.942 -25.704 -41.557 1.00 0.00 N ATOM 1281 CA ASN A 82 28.717 -26.344 -42.087 1.00 0.00 C ATOM 1282 C ASN A 82 28.906 -27.876 -42.194 1.00 0.00 C ATOM 1283 O ASN A 82 29.996 -28.330 -42.565 1.00 0.00 O ATOM 1284 CB ASN A 82 28.330 -25.735 -43.468 1.00 0.00 C ATOM 1285 CG ASN A 82 27.716 -24.344 -43.342 1.00 0.00 C ATOM 1286 OD1 ASN A 82 26.504 -24.208 -43.197 1.00 0.00 O ATOM 1287 ND2 ASN A 82 28.537 -23.307 -43.380 1.00 0.00 N ATOM 0 H ASN A 82 30.610 -25.436 -42.280 1.00 0.00 H new ATOM 0 HA ASN A 82 27.901 -26.150 -41.392 1.00 0.00 H new ATOM 0 HB2 ASN A 82 29.217 -25.681 -44.099 1.00 0.00 H new ATOM 0 HB3 ASN A 82 27.623 -26.397 -43.968 1.00 0.00 H new ATOM 0 HD21 ASN A 82 28.168 -22.361 -43.288 1.00 0.00 H new ATOM 0 HD22 ASN A 82 29.539 -23.454 -43.502 1.00 0.00 H new ATOM 1294 N PRO A 83 27.841 -28.690 -41.864 1.00 0.00 N ATOM 1295 CA PRO A 83 27.890 -30.176 -41.944 1.00 0.00 C ATOM 1296 C PRO A 83 28.135 -30.690 -43.380 1.00 0.00 C ATOM 1297 O PRO A 83 27.717 -30.059 -44.356 1.00 0.00 O ATOM 1298 CB PRO A 83 26.501 -30.621 -41.394 1.00 0.00 C ATOM 1299 CG PRO A 83 25.619 -29.423 -41.560 1.00 0.00 C ATOM 1300 CD PRO A 83 26.514 -28.221 -41.375 1.00 0.00 C ATOM 0 HA PRO A 83 28.723 -30.589 -41.375 1.00 0.00 H new ATOM 0 HB2 PRO A 83 26.113 -31.477 -41.947 1.00 0.00 H new ATOM 0 HB3 PRO A 83 26.568 -30.921 -40.348 1.00 0.00 H new ATOM 0 HG2 PRO A 83 25.153 -29.415 -42.545 1.00 0.00 H new ATOM 0 HG3 PRO A 83 24.813 -29.427 -40.826 1.00 0.00 H new ATOM 0 HD2 PRO A 83 26.157 -27.364 -41.946 1.00 0.00 H new ATOM 0 HD3 PRO A 83 26.558 -27.912 -40.331 1.00 0.00 H new ATOM 1308 N ALA A 84 28.804 -31.859 -43.464 1.00 0.00 N ATOM 1309 CA ALA A 84 29.273 -32.460 -44.732 1.00 0.00 C ATOM 1310 C ALA A 84 28.099 -32.891 -45.632 1.00 0.00 C ATOM 1311 O ALA A 84 26.986 -33.094 -45.159 1.00 0.00 O ATOM 1312 CB ALA A 84 30.198 -33.661 -44.439 1.00 0.00 C ATOM 0 H ALA A 84 29.037 -32.419 -42.644 1.00 0.00 H new ATOM 0 HA ALA A 84 29.834 -31.698 -45.273 1.00 0.00 H new ATOM 0 HB1 ALA A 84 30.538 -34.096 -45.379 1.00 0.00 H new ATOM 0 HB2 ALA A 84 31.060 -33.324 -43.862 1.00 0.00 H new ATOM 0 HB3 ALA A 84 29.650 -34.411 -43.869 1.00 0.00 H new ATOM 1318 N ILE A 85 28.371 -33.031 -46.936 1.00 0.00 N ATOM 1319 CA ILE A 85 27.366 -33.490 -47.916 1.00 0.00 C ATOM 1320 C ILE A 85 27.183 -35.021 -47.828 1.00 0.00 C ATOM 1321 O ILE A 85 26.166 -35.567 -48.282 1.00 0.00 O ATOM 1322 CB ILE A 85 27.737 -33.041 -49.380 1.00 0.00 C ATOM 1323 CG1 ILE A 85 26.546 -33.312 -50.357 1.00 0.00 C ATOM 1324 CG2 ILE A 85 29.058 -33.697 -49.878 1.00 0.00 C ATOM 1325 CD1 ILE A 85 26.729 -32.746 -51.740 1.00 0.00 C ATOM 0 H ILE A 85 29.285 -32.832 -47.343 1.00 0.00 H new ATOM 0 HA ILE A 85 26.415 -33.018 -47.667 1.00 0.00 H new ATOM 0 HB ILE A 85 27.918 -31.966 -49.361 1.00 0.00 H new ATOM 0 HG12 ILE A 85 26.396 -34.389 -50.436 1.00 0.00 H new ATOM 0 HG13 ILE A 85 25.637 -32.894 -49.925 1.00 0.00 H new ATOM 0 HG21 ILE A 85 29.273 -33.358 -50.891 1.00 0.00 H new ATOM 0 HG22 ILE A 85 29.877 -33.411 -49.218 1.00 0.00 H new ATOM 0 HG23 ILE A 85 28.950 -34.782 -49.874 1.00 0.00 H new ATOM 0 HD11 ILE A 85 25.856 -32.982 -52.348 1.00 0.00 H new ATOM 0 HD12 ILE A 85 26.846 -31.664 -51.678 1.00 0.00 H new ATOM 0 HD13 ILE A 85 27.618 -33.182 -52.197 1.00 0.00 H new ATOM 1337 N ALA A 86 28.168 -35.696 -47.199 1.00 0.00 N ATOM 1338 CA ALA A 86 28.143 -37.153 -46.961 1.00 0.00 C ATOM 1339 C ALA A 86 26.935 -37.563 -46.089 1.00 0.00 C ATOM 1340 O ALA A 86 26.363 -38.648 -46.263 1.00 0.00 O ATOM 1341 CB ALA A 86 29.460 -37.603 -46.303 1.00 0.00 C ATOM 0 H ALA A 86 29.008 -35.242 -46.840 1.00 0.00 H new ATOM 0 HA ALA A 86 28.038 -37.651 -47.925 1.00 0.00 H new ATOM 0 HB1 ALA A 86 29.432 -38.679 -46.131 1.00 0.00 H new ATOM 0 HB2 ALA A 86 30.296 -37.362 -46.960 1.00 0.00 H new ATOM 0 HB3 ALA A 86 29.586 -37.087 -45.351 1.00 0.00 H new ATOM 1347 N GLU A 87 26.561 -36.684 -45.143 1.00 0.00 N ATOM 1348 CA GLU A 87 25.424 -36.908 -44.225 1.00 0.00 C ATOM 1349 C GLU A 87 24.122 -36.291 -44.794 1.00 0.00 C ATOM 1350 O GLU A 87 23.034 -36.552 -44.271 1.00 0.00 O ATOM 1351 CB GLU A 87 25.769 -36.329 -42.824 1.00 0.00 C ATOM 1352 CG GLU A 87 26.067 -34.817 -42.820 1.00 0.00 C ATOM 1353 CD GLU A 87 26.565 -34.275 -41.472 1.00 0.00 C ATOM 1354 OE1 GLU A 87 25.753 -34.161 -40.526 1.00 0.00 O ATOM 1355 OE2 GLU A 87 27.770 -33.950 -41.347 1.00 0.00 O ATOM 0 H GLU A 87 27.038 -35.795 -44.991 1.00 0.00 H new ATOM 0 HA GLU A 87 25.249 -37.979 -44.124 1.00 0.00 H new ATOM 0 HB2 GLU A 87 24.937 -36.526 -42.147 1.00 0.00 H new ATOM 0 HB3 GLU A 87 26.635 -36.859 -42.427 1.00 0.00 H new ATOM 0 HG2 GLU A 87 26.816 -34.604 -43.583 1.00 0.00 H new ATOM 0 HG3 GLU A 87 25.162 -34.279 -43.103 1.00 0.00 H new ATOM 1362 N PHE A 88 24.245 -35.470 -45.861 1.00 0.00 N ATOM 1363 CA PHE A 88 23.087 -34.874 -46.565 1.00 0.00 C ATOM 1364 C PHE A 88 22.507 -35.884 -47.558 1.00 0.00 C ATOM 1365 O PHE A 88 23.236 -36.443 -48.383 1.00 0.00 O ATOM 1366 CB PHE A 88 23.489 -33.569 -47.308 1.00 0.00 C ATOM 1367 CG PHE A 88 23.721 -32.348 -46.416 1.00 0.00 C ATOM 1368 CD1 PHE A 88 23.739 -31.080 -46.976 1.00 0.00 C ATOM 1369 CD2 PHE A 88 23.914 -32.452 -45.036 1.00 0.00 C ATOM 1370 CE1 PHE A 88 23.949 -29.962 -46.201 1.00 0.00 C ATOM 1371 CE2 PHE A 88 24.124 -31.331 -44.267 1.00 0.00 C ATOM 1372 CZ PHE A 88 24.140 -30.087 -44.852 1.00 0.00 C ATOM 0 H PHE A 88 25.146 -35.203 -46.257 1.00 0.00 H new ATOM 0 HA PHE A 88 22.332 -34.619 -45.822 1.00 0.00 H new ATOM 0 HB2 PHE A 88 24.399 -33.761 -47.876 1.00 0.00 H new ATOM 0 HB3 PHE A 88 22.708 -33.327 -48.029 1.00 0.00 H new ATOM 0 HD1 PHE A 88 23.586 -30.967 -48.039 1.00 0.00 H new ATOM 0 HD2 PHE A 88 23.898 -33.425 -44.567 1.00 0.00 H new ATOM 0 HE1 PHE A 88 23.963 -28.984 -46.659 1.00 0.00 H new ATOM 0 HE2 PHE A 88 24.277 -31.428 -43.202 1.00 0.00 H new ATOM 0 HZ PHE A 88 24.303 -29.208 -44.246 1.00 0.00 H new ATOM 1382 N ASP A 89 21.194 -36.106 -47.455 1.00 0.00 N ATOM 1383 CA ASP A 89 20.457 -37.063 -48.290 1.00 0.00 C ATOM 1384 C ASP A 89 19.889 -36.344 -49.531 1.00 0.00 C ATOM 1385 O ASP A 89 19.143 -35.378 -49.397 1.00 0.00 O ATOM 1386 CB ASP A 89 19.310 -37.705 -47.456 1.00 0.00 C ATOM 1387 CG ASP A 89 18.670 -38.922 -48.139 1.00 0.00 C ATOM 1388 OD1 ASP A 89 17.904 -38.739 -49.095 1.00 0.00 O ATOM 1389 OD2 ASP A 89 18.920 -40.067 -47.712 1.00 0.00 O ATOM 0 H ASP A 89 20.603 -35.620 -46.780 1.00 0.00 H new ATOM 0 HA ASP A 89 21.131 -37.851 -48.625 1.00 0.00 H new ATOM 0 HB2 ASP A 89 19.702 -38.007 -46.484 1.00 0.00 H new ATOM 0 HB3 ASP A 89 18.541 -36.955 -47.271 1.00 0.00 H new ATOM 1394 N TRP A 90 20.259 -36.818 -50.730 1.00 0.00 N ATOM 1395 CA TRP A 90 19.748 -36.289 -52.024 1.00 0.00 C ATOM 1396 C TRP A 90 18.932 -37.370 -52.774 1.00 0.00 C ATOM 1397 O TRP A 90 18.496 -37.156 -53.910 1.00 0.00 O ATOM 1398 CB TRP A 90 20.933 -35.777 -52.896 1.00 0.00 C ATOM 1399 CG TRP A 90 21.609 -34.540 -52.331 1.00 0.00 C ATOM 1400 CD1 TRP A 90 22.552 -34.479 -51.337 1.00 0.00 C ATOM 1401 CD2 TRP A 90 21.377 -33.184 -52.738 1.00 0.00 C ATOM 1402 NE1 TRP A 90 22.902 -33.174 -51.100 1.00 0.00 N ATOM 1403 CE2 TRP A 90 22.194 -32.363 -51.947 1.00 0.00 C ATOM 1404 CE3 TRP A 90 20.550 -32.587 -53.695 1.00 0.00 C ATOM 1405 CZ2 TRP A 90 22.206 -30.983 -52.082 1.00 0.00 C ATOM 1406 CZ3 TRP A 90 20.566 -31.215 -53.825 1.00 0.00 C ATOM 1407 CH2 TRP A 90 21.388 -30.422 -53.022 1.00 0.00 C ATOM 0 H TRP A 90 20.924 -37.583 -50.840 1.00 0.00 H new ATOM 0 HA TRP A 90 19.081 -35.451 -51.822 1.00 0.00 H new ATOM 0 HB2 TRP A 90 21.672 -36.572 -52.994 1.00 0.00 H new ATOM 0 HB3 TRP A 90 20.567 -35.556 -53.899 1.00 0.00 H new ATOM 0 HD1 TRP A 90 22.959 -35.333 -50.817 1.00 0.00 H new ATOM 0 HE1 TRP A 90 23.579 -32.859 -50.406 1.00 0.00 H new ATOM 0 HE3 TRP A 90 19.910 -33.191 -54.321 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 22.843 -30.369 -51.462 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 19.931 -30.745 -54.561 1.00 0.00 H new ATOM 0 HH2 TRP A 90 21.377 -29.349 -53.146 1.00 0.00 H new ATOM 1418 N THR A 91 18.706 -38.511 -52.097 1.00 0.00 N ATOM 1419 CA THR A 91 18.000 -39.692 -52.643 1.00 0.00 C ATOM 1420 C THR A 91 16.596 -39.844 -51.988 1.00 0.00 C ATOM 1421 O THR A 91 15.969 -40.905 -52.058 1.00 0.00 O ATOM 1422 CB THR A 91 18.879 -40.989 -52.457 1.00 0.00 C ATOM 1423 OG1 THR A 91 18.220 -42.140 -53.021 1.00 0.00 O ATOM 1424 CG2 THR A 91 19.208 -41.263 -50.981 1.00 0.00 C ATOM 0 H THR A 91 19.015 -38.644 -51.134 1.00 0.00 H new ATOM 0 HA THR A 91 17.844 -39.548 -53.712 1.00 0.00 H new ATOM 0 HB THR A 91 19.815 -40.808 -52.985 1.00 0.00 H new ATOM 0 HG1 THR A 91 17.255 -42.073 -52.865 1.00 0.00 H new ATOM 0 HG21 THR A 91 19.814 -42.166 -50.905 1.00 0.00 H new ATOM 0 HG22 THR A 91 19.761 -40.419 -50.569 1.00 0.00 H new ATOM 0 HG23 THR A 91 18.283 -41.399 -50.421 1.00 0.00 H new