USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 424 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 SER OG : rot -2:sc= 0.545 USER MOD Set 1.2: A 68 ASN :FLIP amide:sc= 0 F(o=0.92,f=2.1) USER MOD Set 1.3: A 71 GLN : amide:sc= 1.53 K(o=2.1,f=-2.9!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -110:sc= -2.89! (180deg=-5.84!) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -28:sc= 0.417 USER MOD Single : A 70 LYS NZ :NH3+ -174:sc=-0.00357 (180deg=-0.053) USER MOD Single : A 74 GLN : amide:sc= -0.131 K(o=-0.13,f=-2.5!) USER MOD Single : A 75 TYR OH : rot 180:sc= -0.851 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HE2:sc= 0.426 K(o=0.43,f=-1.7) USER MOD Single : A 82 ASN : amide:sc= -0.155 K(o=-0.15,f=-1.6!) USER MOD Single : A 91 THR OG1 : rot -40:sc= 0.326 USER MOD ----------------------------------------------------------------- ATOM 429 N VAL A 29 3.569 -28.312 -55.986 1.00 0.00 N ATOM 430 CA VAL A 29 3.832 -29.550 -55.239 1.00 0.00 C ATOM 431 C VAL A 29 5.328 -29.656 -54.850 1.00 0.00 C ATOM 432 O VAL A 29 6.217 -29.767 -55.706 1.00 0.00 O ATOM 433 CB VAL A 29 3.330 -30.826 -56.032 1.00 0.00 C ATOM 434 CG1 VAL A 29 1.781 -30.876 -56.032 1.00 0.00 C ATOM 435 CG2 VAL A 29 3.880 -30.863 -57.488 1.00 0.00 C ATOM 0 HA VAL A 29 3.258 -29.511 -54.313 1.00 0.00 H new ATOM 0 HB VAL A 29 3.717 -31.707 -55.521 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.445 -31.757 -56.580 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.419 -30.927 -55.005 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.388 -29.979 -56.511 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.510 -31.755 -57.994 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.546 -29.976 -58.026 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.970 -30.884 -57.465 1.00 0.00 H new ATOM 445 N SER A 30 5.577 -29.565 -53.535 1.00 0.00 N ATOM 446 CA SER A 30 6.910 -29.608 -52.936 1.00 0.00 C ATOM 447 C SER A 30 6.816 -30.308 -51.574 1.00 0.00 C ATOM 448 O SER A 30 5.861 -30.087 -50.814 1.00 0.00 O ATOM 449 CB SER A 30 7.465 -28.171 -52.791 1.00 0.00 C ATOM 450 OG SER A 30 6.513 -27.316 -52.182 1.00 0.00 O ATOM 0 H SER A 30 4.834 -29.457 -52.845 1.00 0.00 H new ATOM 0 HA SER A 30 7.595 -30.167 -53.573 1.00 0.00 H new ATOM 0 HB2 SER A 30 8.377 -28.188 -52.194 1.00 0.00 H new ATOM 0 HB3 SER A 30 7.734 -27.781 -53.773 1.00 0.00 H new ATOM 0 HG SER A 30 6.888 -26.414 -52.100 1.00 0.00 H new ATOM 456 N VAL A 31 7.787 -31.186 -51.293 1.00 0.00 N ATOM 457 CA VAL A 31 7.860 -31.963 -50.044 1.00 0.00 C ATOM 458 C VAL A 31 9.236 -31.732 -49.390 1.00 0.00 C ATOM 459 O VAL A 31 10.270 -31.917 -50.037 1.00 0.00 O ATOM 460 CB VAL A 31 7.634 -33.508 -50.305 1.00 0.00 C ATOM 461 CG1 VAL A 31 7.777 -34.336 -48.996 1.00 0.00 C ATOM 462 CG2 VAL A 31 6.257 -33.765 -50.979 1.00 0.00 C ATOM 0 H VAL A 31 8.556 -31.381 -51.934 1.00 0.00 H new ATOM 0 HA VAL A 31 7.067 -31.625 -49.378 1.00 0.00 H new ATOM 0 HB VAL A 31 8.413 -33.841 -50.991 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.615 -35.392 -49.214 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.778 -34.199 -48.586 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.038 -33.998 -48.269 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.128 -34.834 -51.147 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.461 -33.401 -50.330 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.216 -33.240 -51.934 1.00 0.00 H new ATOM 472 N GLU A 32 9.233 -31.307 -48.118 1.00 0.00 N ATOM 473 CA GLU A 32 10.451 -31.172 -47.312 1.00 0.00 C ATOM 474 C GLU A 32 10.868 -32.555 -46.786 1.00 0.00 C ATOM 475 O GLU A 32 10.219 -33.115 -45.893 1.00 0.00 O ATOM 476 CB GLU A 32 10.260 -30.182 -46.127 1.00 0.00 C ATOM 477 CG GLU A 32 9.971 -28.725 -46.538 1.00 0.00 C ATOM 478 CD GLU A 32 9.844 -27.776 -45.328 1.00 0.00 C ATOM 479 OE1 GLU A 32 10.876 -27.441 -44.705 1.00 0.00 O ATOM 480 OE2 GLU A 32 8.713 -27.346 -45.006 1.00 0.00 O ATOM 0 H GLU A 32 8.382 -31.047 -47.620 1.00 0.00 H new ATOM 0 HA GLU A 32 11.235 -30.763 -47.949 1.00 0.00 H new ATOM 0 HB2 GLU A 32 9.439 -30.538 -45.504 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.159 -30.199 -45.510 1.00 0.00 H new ATOM 0 HG2 GLU A 32 10.770 -28.371 -47.189 1.00 0.00 H new ATOM 0 HG3 GLU A 32 9.049 -28.692 -47.118 1.00 0.00 H new ATOM 487 N LEU A 33 11.916 -33.116 -47.395 1.00 0.00 N ATOM 488 CA LEU A 33 12.500 -34.408 -46.990 1.00 0.00 C ATOM 489 C LEU A 33 13.436 -34.195 -45.771 1.00 0.00 C ATOM 490 O LEU A 33 13.841 -33.055 -45.516 1.00 0.00 O ATOM 491 CB LEU A 33 13.242 -35.058 -48.214 1.00 0.00 C ATOM 492 CG LEU A 33 12.357 -35.861 -49.221 1.00 0.00 C ATOM 493 CD1 LEU A 33 11.765 -37.121 -48.573 1.00 0.00 C ATOM 494 CD2 LEU A 33 11.256 -34.988 -49.816 1.00 0.00 C ATOM 0 H LEU A 33 12.390 -32.687 -48.190 1.00 0.00 H new ATOM 0 HA LEU A 33 11.717 -35.100 -46.681 1.00 0.00 H new ATOM 0 HB2 LEU A 33 13.751 -34.266 -48.764 1.00 0.00 H new ATOM 0 HB3 LEU A 33 14.013 -35.726 -47.830 1.00 0.00 H new ATOM 0 HG LEU A 33 13.008 -36.180 -50.035 1.00 0.00 H new ATOM 0 HD11 LEU A 33 11.156 -37.654 -49.303 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.573 -37.769 -48.233 1.00 0.00 H new ATOM 0 HD13 LEU A 33 11.146 -36.836 -47.722 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.660 -35.578 -50.512 1.00 0.00 H new ATOM 0 HD22 LEU A 33 10.616 -34.614 -49.017 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.704 -34.147 -50.345 1.00 0.00 H new ATOM 506 N PRO A 34 13.761 -35.271 -44.968 1.00 0.00 N ATOM 507 CA PRO A 34 14.617 -35.133 -43.759 1.00 0.00 C ATOM 508 C PRO A 34 16.033 -34.584 -44.065 1.00 0.00 C ATOM 509 O PRO A 34 16.584 -34.801 -45.156 1.00 0.00 O ATOM 510 CB PRO A 34 14.666 -36.572 -43.169 1.00 0.00 C ATOM 511 CG PRO A 34 14.298 -37.467 -44.313 1.00 0.00 C ATOM 512 CD PRO A 34 13.302 -36.680 -45.132 1.00 0.00 C ATOM 0 HA PRO A 34 14.208 -34.401 -43.062 1.00 0.00 H new ATOM 0 HB2 PRO A 34 15.658 -36.809 -42.785 1.00 0.00 H new ATOM 0 HB3 PRO A 34 13.968 -36.683 -42.339 1.00 0.00 H new ATOM 0 HG2 PRO A 34 15.175 -37.728 -44.905 1.00 0.00 H new ATOM 0 HG3 PRO A 34 13.864 -38.401 -43.957 1.00 0.00 H new ATOM 0 HD2 PRO A 34 13.310 -36.986 -46.178 1.00 0.00 H new ATOM 0 HD3 PRO A 34 12.284 -36.817 -44.767 1.00 0.00 H new ATOM 520 N ALA A 35 16.605 -33.888 -43.069 1.00 0.00 N ATOM 521 CA ALA A 35 17.831 -33.080 -43.219 1.00 0.00 C ATOM 522 C ALA A 35 18.694 -33.140 -41.937 1.00 0.00 C ATOM 523 O ALA A 35 18.224 -33.638 -40.909 1.00 0.00 O ATOM 524 CB ALA A 35 17.431 -31.619 -43.506 1.00 0.00 C ATOM 0 H ALA A 35 16.225 -33.869 -42.123 1.00 0.00 H new ATOM 0 HA ALA A 35 18.421 -33.480 -44.044 1.00 0.00 H new ATOM 0 HB1 ALA A 35 18.329 -31.011 -43.619 1.00 0.00 H new ATOM 0 HB2 ALA A 35 16.846 -31.576 -44.424 1.00 0.00 H new ATOM 0 HB3 ALA A 35 16.835 -31.235 -42.678 1.00 0.00 H new ATOM 530 N PRO A 36 19.985 -32.652 -41.983 1.00 0.00 N ATOM 531 CA PRO A 36 20.734 -32.285 -40.750 1.00 0.00 C ATOM 532 C PRO A 36 20.027 -31.120 -40.015 1.00 0.00 C ATOM 533 O PRO A 36 19.376 -30.295 -40.654 1.00 0.00 O ATOM 534 CB PRO A 36 22.137 -31.861 -41.285 1.00 0.00 C ATOM 535 CG PRO A 36 21.907 -31.513 -42.727 1.00 0.00 C ATOM 536 CD PRO A 36 20.820 -32.450 -43.210 1.00 0.00 C ATOM 0 HA PRO A 36 20.797 -33.096 -40.024 1.00 0.00 H new ATOM 0 HB2 PRO A 36 22.531 -31.010 -40.730 1.00 0.00 H new ATOM 0 HB3 PRO A 36 22.860 -32.670 -41.184 1.00 0.00 H new ATOM 0 HG2 PRO A 36 21.602 -30.472 -42.834 1.00 0.00 H new ATOM 0 HG3 PRO A 36 22.819 -31.639 -43.310 1.00 0.00 H new ATOM 0 HD2 PRO A 36 20.242 -32.013 -44.025 1.00 0.00 H new ATOM 0 HD3 PRO A 36 21.231 -33.390 -43.579 1.00 0.00 H new ATOM 544 N SER A 37 20.181 -31.059 -38.679 1.00 0.00 N ATOM 545 CA SER A 37 19.521 -30.041 -37.823 1.00 0.00 C ATOM 546 C SER A 37 20.008 -28.608 -38.150 1.00 0.00 C ATOM 547 O SER A 37 19.302 -27.628 -37.891 1.00 0.00 O ATOM 548 CB SER A 37 19.758 -30.379 -36.327 1.00 0.00 C ATOM 549 OG SER A 37 21.143 -30.497 -36.034 1.00 0.00 O ATOM 0 H SER A 37 20.766 -31.712 -38.157 1.00 0.00 H new ATOM 0 HA SER A 37 18.451 -30.067 -38.030 1.00 0.00 H new ATOM 0 HB2 SER A 37 19.318 -29.601 -35.703 1.00 0.00 H new ATOM 0 HB3 SER A 37 19.252 -31.312 -36.079 1.00 0.00 H new ATOM 0 HG SER A 37 21.260 -30.708 -35.084 1.00 0.00 H new ATOM 555 N SER A 38 21.220 -28.516 -38.737 1.00 0.00 N ATOM 556 CA SER A 38 21.828 -27.240 -39.154 1.00 0.00 C ATOM 557 C SER A 38 21.164 -26.680 -40.436 1.00 0.00 C ATOM 558 O SER A 38 21.049 -25.463 -40.604 1.00 0.00 O ATOM 559 CB SER A 38 23.342 -27.438 -39.378 1.00 0.00 C ATOM 560 OG SER A 38 23.947 -28.024 -38.238 1.00 0.00 O ATOM 0 H SER A 38 21.804 -29.329 -38.935 1.00 0.00 H new ATOM 0 HA SER A 38 21.667 -26.512 -38.359 1.00 0.00 H new ATOM 0 HB2 SER A 38 23.505 -28.073 -40.249 1.00 0.00 H new ATOM 0 HB3 SER A 38 23.811 -26.478 -39.591 1.00 0.00 H new ATOM 0 HG SER A 38 24.906 -28.143 -38.401 1.00 0.00 H new ATOM 566 N TRP A 39 20.729 -27.586 -41.335 1.00 0.00 N ATOM 567 CA TRP A 39 20.132 -27.232 -42.643 1.00 0.00 C ATOM 568 C TRP A 39 18.675 -27.718 -42.721 1.00 0.00 C ATOM 569 O TRP A 39 18.117 -28.196 -41.737 1.00 0.00 O ATOM 570 CB TRP A 39 20.958 -27.867 -43.805 1.00 0.00 C ATOM 571 CG TRP A 39 22.317 -27.257 -44.023 1.00 0.00 C ATOM 572 CD1 TRP A 39 23.373 -27.228 -43.155 1.00 0.00 C ATOM 573 CD2 TRP A 39 22.766 -26.611 -45.215 1.00 0.00 C ATOM 574 NE1 TRP A 39 24.440 -26.590 -43.730 1.00 0.00 N ATOM 575 CE2 TRP A 39 24.091 -26.209 -44.997 1.00 0.00 C ATOM 576 CE3 TRP A 39 22.168 -26.334 -46.445 1.00 0.00 C ATOM 577 CZ2 TRP A 39 24.830 -25.552 -45.963 1.00 0.00 C ATOM 578 CZ3 TRP A 39 22.902 -25.677 -47.404 1.00 0.00 C ATOM 579 CH2 TRP A 39 24.226 -25.290 -47.162 1.00 0.00 C ATOM 0 H TRP A 39 20.782 -28.592 -41.174 1.00 0.00 H new ATOM 0 HA TRP A 39 20.149 -26.147 -42.742 1.00 0.00 H new ATOM 0 HB2 TRP A 39 21.081 -28.931 -43.604 1.00 0.00 H new ATOM 0 HB3 TRP A 39 20.385 -27.781 -44.728 1.00 0.00 H new ATOM 0 HD1 TRP A 39 23.367 -27.648 -42.160 1.00 0.00 H new ATOM 0 HE1 TRP A 39 25.344 -26.426 -43.287 1.00 0.00 H new ATOM 0 HE3 TRP A 39 21.148 -26.630 -46.640 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 25.852 -25.255 -45.777 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 22.450 -25.456 -48.360 1.00 0.00 H new ATOM 0 HH2 TRP A 39 24.779 -24.776 -47.935 1.00 0.00 H new ATOM 590 N LYS A 40 18.070 -27.556 -43.905 1.00 0.00 N ATOM 591 CA LYS A 40 16.777 -28.156 -44.260 1.00 0.00 C ATOM 592 C LYS A 40 16.855 -28.669 -45.706 1.00 0.00 C ATOM 593 O LYS A 40 17.620 -28.154 -46.521 1.00 0.00 O ATOM 594 CB LYS A 40 15.589 -27.166 -44.026 1.00 0.00 C ATOM 595 CG LYS A 40 15.061 -27.179 -42.571 1.00 0.00 C ATOM 596 CD LYS A 40 13.929 -26.169 -42.315 1.00 0.00 C ATOM 597 CE LYS A 40 14.395 -24.715 -42.460 1.00 0.00 C ATOM 598 NZ LYS A 40 13.313 -23.763 -42.127 1.00 0.00 N ATOM 0 H LYS A 40 18.472 -26.995 -44.656 1.00 0.00 H new ATOM 0 HA LYS A 40 16.572 -29.001 -43.603 1.00 0.00 H new ATOM 0 HB2 LYS A 40 15.911 -26.156 -44.280 1.00 0.00 H new ATOM 0 HB3 LYS A 40 14.774 -27.420 -44.704 1.00 0.00 H new ATOM 0 HG2 LYS A 40 14.703 -28.181 -42.333 1.00 0.00 H new ATOM 0 HG3 LYS A 40 15.887 -26.966 -41.892 1.00 0.00 H new ATOM 0 HD2 LYS A 40 13.114 -26.357 -43.014 1.00 0.00 H new ATOM 0 HD3 LYS A 40 13.531 -26.321 -41.312 1.00 0.00 H new ATOM 0 HE2 LYS A 40 15.250 -24.539 -41.807 1.00 0.00 H new ATOM 0 HE3 LYS A 40 14.733 -24.540 -43.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 13.662 -22.789 -42.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 12.507 -23.915 -42.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 13.008 -23.914 -41.144 1.00 0.00 H new ATOM 612 N LYS A 41 16.099 -29.731 -45.976 1.00 0.00 N ATOM 613 CA LYS A 41 16.090 -30.447 -47.251 1.00 0.00 C ATOM 614 C LYS A 41 14.692 -30.376 -47.860 1.00 0.00 C ATOM 615 O LYS A 41 13.702 -30.715 -47.217 1.00 0.00 O ATOM 616 CB LYS A 41 16.532 -31.920 -47.009 1.00 0.00 C ATOM 617 CG LYS A 41 16.234 -32.929 -48.137 1.00 0.00 C ATOM 618 CD LYS A 41 16.871 -32.565 -49.488 1.00 0.00 C ATOM 619 CE LYS A 41 16.570 -33.611 -50.562 1.00 0.00 C ATOM 620 NZ LYS A 41 15.119 -33.740 -50.845 1.00 0.00 N ATOM 0 H LYS A 41 15.455 -30.130 -45.292 1.00 0.00 H new ATOM 0 HA LYS A 41 16.788 -29.990 -47.952 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.606 -31.926 -46.822 1.00 0.00 H new ATOM 0 HB3 LYS A 41 16.048 -32.275 -46.099 1.00 0.00 H new ATOM 0 HG2 LYS A 41 16.590 -33.913 -47.833 1.00 0.00 H new ATOM 0 HG3 LYS A 41 15.154 -33.006 -48.265 1.00 0.00 H new ATOM 0 HD2 LYS A 41 16.500 -31.593 -49.814 1.00 0.00 H new ATOM 0 HD3 LYS A 41 17.950 -32.470 -49.366 1.00 0.00 H new ATOM 0 HE2 LYS A 41 17.093 -33.344 -51.480 1.00 0.00 H new ATOM 0 HE3 LYS A 41 16.961 -34.577 -50.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 14.776 -34.655 -50.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 14.604 -32.970 -50.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 14.959 -33.686 -51.871 1.00 0.00 H new ATOM 634 N LEU A 42 14.640 -29.933 -49.109 1.00 0.00 N ATOM 635 CA LEU A 42 13.423 -29.891 -49.917 1.00 0.00 C ATOM 636 C LEU A 42 13.670 -30.673 -51.220 1.00 0.00 C ATOM 637 O LEU A 42 14.790 -30.709 -51.747 1.00 0.00 O ATOM 638 CB LEU A 42 13.014 -28.397 -50.158 1.00 0.00 C ATOM 639 CG LEU A 42 11.902 -28.092 -51.238 1.00 0.00 C ATOM 640 CD1 LEU A 42 11.076 -26.828 -50.887 1.00 0.00 C ATOM 641 CD2 LEU A 42 12.525 -27.929 -52.640 1.00 0.00 C ATOM 0 H LEU A 42 15.461 -29.584 -49.603 1.00 0.00 H new ATOM 0 HA LEU A 42 12.586 -30.367 -49.406 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.675 -27.987 -49.207 1.00 0.00 H new ATOM 0 HB3 LEU A 42 13.912 -27.847 -50.440 1.00 0.00 H new ATOM 0 HG LEU A 42 11.226 -28.947 -51.240 1.00 0.00 H new ATOM 0 HD11 LEU A 42 10.324 -26.659 -51.658 1.00 0.00 H new ATOM 0 HD12 LEU A 42 10.583 -26.971 -49.925 1.00 0.00 H new ATOM 0 HD13 LEU A 42 11.739 -25.964 -50.831 1.00 0.00 H new ATOM 0 HD21 LEU A 42 11.739 -27.720 -53.365 1.00 0.00 H new ATOM 0 HD22 LEU A 42 13.237 -27.104 -52.628 1.00 0.00 H new ATOM 0 HD23 LEU A 42 13.040 -28.848 -52.918 1.00 0.00 H new ATOM 653 N PHE A 43 12.612 -31.325 -51.693 1.00 0.00 N ATOM 654 CA PHE A 43 12.544 -31.977 -53.001 1.00 0.00 C ATOM 655 C PHE A 43 11.273 -31.490 -53.712 1.00 0.00 C ATOM 656 O PHE A 43 10.244 -31.286 -53.060 1.00 0.00 O ATOM 657 CB PHE A 43 12.512 -33.518 -52.815 1.00 0.00 C ATOM 658 CG PHE A 43 12.340 -34.323 -54.106 1.00 0.00 C ATOM 659 CD1 PHE A 43 13.282 -34.247 -55.134 1.00 0.00 C ATOM 660 CD2 PHE A 43 11.224 -35.144 -54.299 1.00 0.00 C ATOM 661 CE1 PHE A 43 13.115 -34.960 -56.309 1.00 0.00 C ATOM 662 CE2 PHE A 43 11.061 -35.859 -55.474 1.00 0.00 C ATOM 663 CZ PHE A 43 12.002 -35.764 -56.478 1.00 0.00 C ATOM 0 H PHE A 43 11.748 -31.418 -51.159 1.00 0.00 H new ATOM 0 HA PHE A 43 13.418 -31.726 -53.602 1.00 0.00 H new ATOM 0 HB2 PHE A 43 13.438 -33.830 -52.331 1.00 0.00 H new ATOM 0 HB3 PHE A 43 11.697 -33.770 -52.136 1.00 0.00 H new ATOM 0 HD1 PHE A 43 14.154 -33.622 -55.011 1.00 0.00 H new ATOM 0 HD2 PHE A 43 10.479 -35.221 -53.521 1.00 0.00 H new ATOM 0 HE1 PHE A 43 13.854 -34.888 -57.094 1.00 0.00 H new ATOM 0 HE2 PHE A 43 10.196 -36.492 -55.604 1.00 0.00 H new ATOM 0 HZ PHE A 43 11.870 -36.317 -57.396 1.00 0.00 H new ATOM 673 N TYR A 44 11.353 -31.289 -55.033 1.00 0.00 N ATOM 674 CA TYR A 44 10.165 -31.005 -55.869 1.00 0.00 C ATOM 675 C TYR A 44 9.735 -32.293 -56.614 1.00 0.00 C ATOM 676 O TYR A 44 10.369 -32.665 -57.608 1.00 0.00 O ATOM 677 CB TYR A 44 10.448 -29.866 -56.880 1.00 0.00 C ATOM 678 CG TYR A 44 10.348 -28.442 -56.320 1.00 0.00 C ATOM 679 CD1 TYR A 44 11.482 -27.708 -55.963 1.00 0.00 C ATOM 680 CD2 TYR A 44 9.108 -27.823 -56.172 1.00 0.00 C ATOM 681 CE1 TYR A 44 11.373 -26.412 -55.477 1.00 0.00 C ATOM 682 CE2 TYR A 44 9.002 -26.533 -55.684 1.00 0.00 C ATOM 683 CZ TYR A 44 10.130 -25.833 -55.341 1.00 0.00 C ATOM 684 OH TYR A 44 10.023 -24.545 -54.865 1.00 0.00 O ATOM 0 H TYR A 44 12.229 -31.317 -55.554 1.00 0.00 H new ATOM 0 HA TYR A 44 9.355 -30.675 -55.218 1.00 0.00 H new ATOM 0 HB2 TYR A 44 11.449 -30.007 -57.288 1.00 0.00 H new ATOM 0 HB3 TYR A 44 9.749 -29.960 -57.711 1.00 0.00 H new ATOM 0 HD1 TYR A 44 12.459 -28.156 -56.067 1.00 0.00 H new ATOM 0 HD2 TYR A 44 8.212 -28.361 -56.444 1.00 0.00 H new ATOM 0 HE1 TYR A 44 12.260 -25.859 -55.206 1.00 0.00 H new ATOM 0 HE2 TYR A 44 8.029 -26.077 -55.573 1.00 0.00 H new ATOM 0 HH TYR A 44 9.078 -24.286 -54.831 1.00 0.00 H new ATOM 694 N PRO A 45 8.682 -33.025 -56.125 1.00 0.00 N ATOM 695 CA PRO A 45 8.101 -34.169 -56.851 1.00 0.00 C ATOM 696 C PRO A 45 7.062 -33.713 -57.886 1.00 0.00 C ATOM 697 O PRO A 45 6.522 -32.605 -57.789 1.00 0.00 O ATOM 698 CB PRO A 45 7.445 -34.987 -55.713 1.00 0.00 C ATOM 699 CG PRO A 45 6.966 -33.948 -54.746 1.00 0.00 C ATOM 700 CD PRO A 45 7.990 -32.819 -54.817 1.00 0.00 C ATOM 0 HA PRO A 45 8.834 -34.734 -57.426 1.00 0.00 H new ATOM 0 HB2 PRO A 45 6.621 -35.596 -56.084 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.159 -35.666 -55.247 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.971 -33.592 -55.014 1.00 0.00 H new ATOM 0 HG3 PRO A 45 6.899 -34.353 -53.736 1.00 0.00 H new ATOM 0 HD2 PRO A 45 7.508 -31.842 -54.772 1.00 0.00 H new ATOM 0 HD3 PRO A 45 8.692 -32.867 -53.984 1.00 0.00 H new ATOM 852 N GLU A 55 14.597 -30.329 -59.447 1.00 0.00 N ATOM 853 CA GLU A 55 15.602 -31.029 -58.623 1.00 0.00 C ATOM 854 C GLU A 55 15.518 -30.590 -57.138 1.00 0.00 C ATOM 855 O GLU A 55 14.589 -29.876 -56.718 1.00 0.00 O ATOM 856 CB GLU A 55 17.051 -30.855 -59.197 1.00 0.00 C ATOM 857 CG GLU A 55 17.564 -29.397 -59.333 1.00 0.00 C ATOM 858 CD GLU A 55 17.240 -28.757 -60.695 1.00 0.00 C ATOM 859 OE1 GLU A 55 16.200 -28.097 -60.833 1.00 0.00 O ATOM 860 OE2 GLU A 55 18.022 -28.943 -61.648 1.00 0.00 O ATOM 0 HA GLU A 55 15.370 -32.093 -58.664 1.00 0.00 H new ATOM 0 HB2 GLU A 55 17.742 -31.403 -58.556 1.00 0.00 H new ATOM 0 HB3 GLU A 55 17.089 -31.324 -60.180 1.00 0.00 H new ATOM 0 HG2 GLU A 55 17.124 -28.790 -58.541 1.00 0.00 H new ATOM 0 HG3 GLU A 55 18.643 -29.384 -59.182 1.00 0.00 H new ATOM 867 N VAL A 56 16.506 -31.030 -56.364 1.00 0.00 N ATOM 868 CA VAL A 56 16.575 -30.837 -54.919 1.00 0.00 C ATOM 869 C VAL A 56 17.120 -29.441 -54.583 1.00 0.00 C ATOM 870 O VAL A 56 18.075 -28.975 -55.206 1.00 0.00 O ATOM 871 CB VAL A 56 17.516 -31.938 -54.309 1.00 0.00 C ATOM 872 CG1 VAL A 56 18.040 -31.564 -52.899 1.00 0.00 C ATOM 873 CG2 VAL A 56 16.825 -33.326 -54.313 1.00 0.00 C ATOM 0 H VAL A 56 17.304 -31.546 -56.736 1.00 0.00 H new ATOM 0 HA VAL A 56 15.574 -30.921 -54.496 1.00 0.00 H new ATOM 0 HB VAL A 56 18.393 -31.996 -54.953 1.00 0.00 H new ATOM 0 HG11 VAL A 56 18.684 -32.361 -52.527 1.00 0.00 H new ATOM 0 HG12 VAL A 56 18.607 -30.635 -52.956 1.00 0.00 H new ATOM 0 HG13 VAL A 56 17.197 -31.433 -52.221 1.00 0.00 H new ATOM 0 HG21 VAL A 56 17.498 -34.069 -53.886 1.00 0.00 H new ATOM 0 HG22 VAL A 56 15.912 -33.280 -53.719 1.00 0.00 H new ATOM 0 HG23 VAL A 56 16.578 -33.607 -55.337 1.00 0.00 H new ATOM 883 N VAL A 57 16.499 -28.794 -53.579 1.00 0.00 N ATOM 884 CA VAL A 57 16.981 -27.534 -53.002 1.00 0.00 C ATOM 885 C VAL A 57 17.193 -27.723 -51.484 1.00 0.00 C ATOM 886 O VAL A 57 16.244 -28.017 -50.753 1.00 0.00 O ATOM 887 CB VAL A 57 15.994 -26.329 -53.263 1.00 0.00 C ATOM 888 CG1 VAL A 57 16.564 -24.997 -52.693 1.00 0.00 C ATOM 889 CG2 VAL A 57 15.647 -26.195 -54.774 1.00 0.00 C ATOM 0 H VAL A 57 15.642 -29.137 -53.145 1.00 0.00 H new ATOM 0 HA VAL A 57 17.922 -27.282 -53.491 1.00 0.00 H new ATOM 0 HB VAL A 57 15.067 -26.545 -52.732 1.00 0.00 H new ATOM 0 HG11 VAL A 57 15.861 -24.187 -52.889 1.00 0.00 H new ATOM 0 HG12 VAL A 57 16.713 -25.096 -51.618 1.00 0.00 H new ATOM 0 HG13 VAL A 57 17.517 -24.774 -53.173 1.00 0.00 H new ATOM 0 HG21 VAL A 57 14.966 -25.356 -54.918 1.00 0.00 H new ATOM 0 HG22 VAL A 57 16.560 -26.023 -55.343 1.00 0.00 H new ATOM 0 HG23 VAL A 57 15.171 -27.112 -55.121 1.00 0.00 H new ATOM 899 N PHE A 58 18.452 -27.601 -51.031 1.00 0.00 N ATOM 900 CA PHE A 58 18.796 -27.548 -49.601 1.00 0.00 C ATOM 901 C PHE A 58 18.696 -26.100 -49.101 1.00 0.00 C ATOM 902 O PHE A 58 19.397 -25.218 -49.594 1.00 0.00 O ATOM 903 CB PHE A 58 20.228 -28.116 -49.332 1.00 0.00 C ATOM 904 CG PHE A 58 20.275 -29.625 -49.096 1.00 0.00 C ATOM 905 CD1 PHE A 58 20.503 -30.518 -50.137 1.00 0.00 C ATOM 906 CD2 PHE A 58 20.092 -30.146 -47.811 1.00 0.00 C ATOM 907 CE1 PHE A 58 20.547 -31.883 -49.906 1.00 0.00 C ATOM 908 CE2 PHE A 58 20.135 -31.509 -47.583 1.00 0.00 C ATOM 909 CZ PHE A 58 20.362 -32.375 -48.631 1.00 0.00 C ATOM 0 H PHE A 58 19.262 -27.536 -51.648 1.00 0.00 H new ATOM 0 HA PHE A 58 18.088 -28.173 -49.057 1.00 0.00 H new ATOM 0 HB2 PHE A 58 20.867 -27.873 -50.181 1.00 0.00 H new ATOM 0 HB3 PHE A 58 20.648 -27.611 -48.462 1.00 0.00 H new ATOM 0 HD1 PHE A 58 20.648 -30.142 -51.139 1.00 0.00 H new ATOM 0 HD2 PHE A 58 19.914 -29.474 -46.985 1.00 0.00 H new ATOM 0 HE1 PHE A 58 20.726 -32.563 -50.726 1.00 0.00 H new ATOM 0 HE2 PHE A 58 19.991 -31.895 -46.585 1.00 0.00 H new ATOM 0 HZ PHE A 58 20.395 -33.440 -48.454 1.00 0.00 H new ATOM 919 N VAL A 59 17.834 -25.874 -48.106 1.00 0.00 N ATOM 920 CA VAL A 59 17.698 -24.584 -47.432 1.00 0.00 C ATOM 921 C VAL A 59 18.845 -24.423 -46.421 1.00 0.00 C ATOM 922 O VAL A 59 19.087 -25.304 -45.585 1.00 0.00 O ATOM 923 CB VAL A 59 16.286 -24.462 -46.732 1.00 0.00 C ATOM 924 CG1 VAL A 59 16.289 -23.475 -45.534 1.00 0.00 C ATOM 925 CG2 VAL A 59 15.204 -24.066 -47.764 1.00 0.00 C ATOM 0 H VAL A 59 17.205 -26.590 -47.743 1.00 0.00 H new ATOM 0 HA VAL A 59 17.760 -23.780 -48.166 1.00 0.00 H new ATOM 0 HB VAL A 59 16.050 -25.445 -46.324 1.00 0.00 H new ATOM 0 HG11 VAL A 59 15.293 -23.434 -45.094 1.00 0.00 H new ATOM 0 HG12 VAL A 59 17.003 -23.815 -44.784 1.00 0.00 H new ATOM 0 HG13 VAL A 59 16.574 -22.482 -45.881 1.00 0.00 H new ATOM 0 HG21 VAL A 59 14.238 -23.986 -47.266 1.00 0.00 H new ATOM 0 HG22 VAL A 59 15.462 -23.106 -48.211 1.00 0.00 H new ATOM 0 HG23 VAL A 59 15.149 -24.826 -48.543 1.00 0.00 H new ATOM 935 N ALA A 60 19.540 -23.282 -46.531 1.00 0.00 N ATOM 936 CA ALA A 60 20.713 -22.957 -45.712 1.00 0.00 C ATOM 937 C ALA A 60 20.289 -22.298 -44.387 1.00 0.00 C ATOM 938 O ALA A 60 19.227 -21.663 -44.330 1.00 0.00 O ATOM 939 CB ALA A 60 21.673 -22.038 -46.488 1.00 0.00 C ATOM 0 H ALA A 60 19.299 -22.551 -47.200 1.00 0.00 H new ATOM 0 HA ALA A 60 21.234 -23.885 -45.479 1.00 0.00 H new ATOM 0 HB1 ALA A 60 22.538 -21.807 -45.866 1.00 0.00 H new ATOM 0 HB2 ALA A 60 22.004 -22.541 -47.396 1.00 0.00 H new ATOM 0 HB3 ALA A 60 21.158 -21.114 -46.752 1.00 0.00 H new ATOM 945 N PRO A 61 21.123 -22.431 -43.310 1.00 0.00 N ATOM 946 CA PRO A 61 20.891 -21.733 -42.018 1.00 0.00 C ATOM 947 C PRO A 61 20.863 -20.187 -42.158 1.00 0.00 C ATOM 948 O PRO A 61 20.177 -19.500 -41.396 1.00 0.00 O ATOM 949 CB PRO A 61 22.080 -22.214 -41.126 1.00 0.00 C ATOM 950 CG PRO A 61 23.102 -22.756 -42.088 1.00 0.00 C ATOM 951 CD PRO A 61 22.316 -23.322 -43.240 1.00 0.00 C ATOM 0 HA PRO A 61 19.914 -21.970 -41.596 1.00 0.00 H new ATOM 0 HB2 PRO A 61 22.489 -21.392 -40.539 1.00 0.00 H new ATOM 0 HB3 PRO A 61 21.758 -22.980 -40.421 1.00 0.00 H new ATOM 0 HG2 PRO A 61 23.779 -21.970 -42.424 1.00 0.00 H new ATOM 0 HG3 PRO A 61 23.715 -23.525 -41.617 1.00 0.00 H new ATOM 0 HD2 PRO A 61 22.889 -23.301 -44.167 1.00 0.00 H new ATOM 0 HD3 PRO A 61 22.033 -24.360 -43.063 1.00 0.00 H new ATOM 959 N THR A 62 21.614 -19.650 -43.145 1.00 0.00 N ATOM 960 CA THR A 62 21.629 -18.193 -43.436 1.00 0.00 C ATOM 961 C THR A 62 20.600 -17.822 -44.532 1.00 0.00 C ATOM 962 O THR A 62 20.434 -16.638 -44.855 1.00 0.00 O ATOM 963 CB THR A 62 23.063 -17.698 -43.843 1.00 0.00 C ATOM 964 OG1 THR A 62 23.104 -16.264 -43.964 1.00 0.00 O ATOM 965 CG2 THR A 62 23.535 -18.324 -45.160 1.00 0.00 C ATOM 0 H THR A 62 22.218 -20.201 -43.755 1.00 0.00 H new ATOM 0 HA THR A 62 21.344 -17.684 -42.515 1.00 0.00 H new ATOM 0 HB THR A 62 23.735 -18.016 -43.046 1.00 0.00 H new ATOM 0 HG1 THR A 62 22.218 -15.932 -44.219 1.00 0.00 H new ATOM 0 HG21 THR A 62 24.531 -17.953 -45.403 1.00 0.00 H new ATOM 0 HG22 THR A 62 23.567 -19.409 -45.057 1.00 0.00 H new ATOM 0 HG23 THR A 62 22.844 -18.056 -45.959 1.00 0.00 H new ATOM 973 N GLY A 63 19.922 -18.838 -45.108 1.00 0.00 N ATOM 974 CA GLY A 63 18.921 -18.620 -46.164 1.00 0.00 C ATOM 975 C GLY A 63 19.497 -18.645 -47.583 1.00 0.00 C ATOM 976 O GLY A 63 18.733 -18.630 -48.550 1.00 0.00 O ATOM 0 H GLY A 63 20.053 -19.818 -44.856 1.00 0.00 H new ATOM 0 HA2 GLY A 63 18.149 -19.386 -46.083 1.00 0.00 H new ATOM 0 HA3 GLY A 63 18.435 -17.659 -45.997 1.00 0.00 H new ATOM 980 N GLU A 64 20.846 -18.677 -47.699 1.00 0.00 N ATOM 981 CA GLU A 64 21.558 -18.805 -48.995 1.00 0.00 C ATOM 982 C GLU A 64 21.399 -20.248 -49.525 1.00 0.00 C ATOM 983 O GLU A 64 22.291 -21.094 -49.381 1.00 0.00 O ATOM 984 CB GLU A 64 23.059 -18.408 -48.818 1.00 0.00 C ATOM 985 CG GLU A 64 23.938 -18.489 -50.091 1.00 0.00 C ATOM 986 CD GLU A 64 25.379 -17.974 -49.871 1.00 0.00 C ATOM 987 OE1 GLU A 64 25.834 -17.080 -50.620 1.00 0.00 O ATOM 988 OE2 GLU A 64 26.057 -18.438 -48.927 1.00 0.00 O ATOM 0 H GLU A 64 21.473 -18.615 -46.896 1.00 0.00 H new ATOM 0 HA GLU A 64 21.126 -18.127 -49.731 1.00 0.00 H new ATOM 0 HB2 GLU A 64 23.102 -17.388 -48.435 1.00 0.00 H new ATOM 0 HB3 GLU A 64 23.497 -19.053 -48.056 1.00 0.00 H new ATOM 0 HG2 GLU A 64 23.977 -19.523 -50.432 1.00 0.00 H new ATOM 0 HG3 GLU A 64 23.469 -17.909 -50.886 1.00 0.00 H new ATOM 995 N GLU A 65 20.210 -20.519 -50.085 1.00 0.00 N ATOM 996 CA GLU A 65 19.771 -21.880 -50.435 1.00 0.00 C ATOM 997 C GLU A 65 20.515 -22.414 -51.668 1.00 0.00 C ATOM 998 O GLU A 65 21.047 -21.654 -52.490 1.00 0.00 O ATOM 999 CB GLU A 65 18.229 -21.906 -50.634 1.00 0.00 C ATOM 1000 CG GLU A 65 17.702 -21.000 -51.773 1.00 0.00 C ATOM 1001 CD GLU A 65 16.160 -20.922 -51.829 1.00 0.00 C ATOM 1002 OE1 GLU A 65 15.577 -20.075 -51.121 1.00 0.00 O ATOM 1003 OE2 GLU A 65 15.526 -21.700 -52.582 1.00 0.00 O ATOM 0 H GLU A 65 19.523 -19.799 -50.309 1.00 0.00 H new ATOM 0 HA GLU A 65 20.020 -22.547 -49.610 1.00 0.00 H new ATOM 0 HB2 GLU A 65 17.921 -22.932 -50.834 1.00 0.00 H new ATOM 0 HB3 GLU A 65 17.752 -21.606 -49.701 1.00 0.00 H new ATOM 0 HG2 GLU A 65 18.105 -19.995 -51.645 1.00 0.00 H new ATOM 0 HG3 GLU A 65 18.075 -21.374 -52.727 1.00 0.00 H new ATOM 1010 N ILE A 66 20.523 -23.743 -51.777 1.00 0.00 N ATOM 1011 CA ILE A 66 21.382 -24.498 -52.688 1.00 0.00 C ATOM 1012 C ILE A 66 20.516 -25.358 -53.624 1.00 0.00 C ATOM 1013 O ILE A 66 19.851 -26.275 -53.161 1.00 0.00 O ATOM 1014 CB ILE A 66 22.333 -25.434 -51.863 1.00 0.00 C ATOM 1015 CG1 ILE A 66 23.185 -24.636 -50.813 1.00 0.00 C ATOM 1016 CG2 ILE A 66 23.214 -26.284 -52.791 1.00 0.00 C ATOM 1017 CD1 ILE A 66 24.077 -23.534 -51.363 1.00 0.00 C ATOM 0 H ILE A 66 19.914 -24.340 -51.218 1.00 0.00 H new ATOM 0 HA ILE A 66 21.976 -23.800 -53.278 1.00 0.00 H new ATOM 0 HB ILE A 66 21.702 -26.116 -51.293 1.00 0.00 H new ATOM 0 HG12 ILE A 66 22.504 -24.193 -50.086 1.00 0.00 H new ATOM 0 HG13 ILE A 66 23.812 -25.345 -50.272 1.00 0.00 H new ATOM 0 HG21 ILE A 66 23.863 -26.923 -52.192 1.00 0.00 H new ATOM 0 HG22 ILE A 66 22.581 -26.903 -53.427 1.00 0.00 H new ATOM 0 HG23 ILE A 66 23.824 -25.630 -53.414 1.00 0.00 H new ATOM 0 HD11 ILE A 66 24.614 -23.057 -50.543 1.00 0.00 H new ATOM 0 HD12 ILE A 66 24.793 -23.962 -52.065 1.00 0.00 H new ATOM 0 HD13 ILE A 66 23.465 -22.792 -51.876 1.00 0.00 H new ATOM 1029 N SER A 67 20.559 -25.065 -54.923 1.00 0.00 N ATOM 1030 CA SER A 67 19.799 -25.793 -55.951 1.00 0.00 C ATOM 1031 C SER A 67 20.579 -27.016 -56.505 1.00 0.00 C ATOM 1032 O SER A 67 19.973 -27.898 -57.130 1.00 0.00 O ATOM 1033 CB SER A 67 19.432 -24.808 -57.097 1.00 0.00 C ATOM 1034 OG SER A 67 20.548 -24.050 -57.533 1.00 0.00 O ATOM 0 H SER A 67 21.128 -24.307 -55.301 1.00 0.00 H new ATOM 0 HA SER A 67 18.892 -26.188 -55.493 1.00 0.00 H new ATOM 0 HB2 SER A 67 19.025 -25.369 -57.939 1.00 0.00 H new ATOM 0 HB3 SER A 67 18.648 -24.132 -56.755 1.00 0.00 H new ATOM 0 HG SER A 67 21.330 -24.276 -56.988 1.00 0.00 H new ATOM 1040 N ASN A 68 21.919 -27.058 -56.288 1.00 0.00 N ATOM 1041 CA ASN A 68 22.790 -28.115 -56.870 1.00 0.00 C ATOM 1042 C ASN A 68 24.097 -28.305 -56.061 1.00 0.00 C ATOM 1043 O ASN A 68 24.548 -27.382 -55.388 1.00 0.00 O ATOM 1044 CB ASN A 68 23.097 -27.801 -58.365 1.00 0.00 C ATOM 1045 CG ASN A 68 23.605 -26.377 -58.581 1.00 0.00 C ATOM 1046 OD1 ASN A 68 24.888 -26.161 -58.386 1.00 0.00 O flip ATOM 1047 ND2 ASN A 68 22.832 -25.469 -58.882 1.00 0.00 N flip ATOM 0 H ASN A 68 22.419 -26.376 -55.717 1.00 0.00 H new ATOM 0 HA ASN A 68 22.246 -29.058 -56.815 1.00 0.00 H new ATOM 0 HB2 ASN A 68 23.841 -28.507 -58.734 1.00 0.00 H new ATOM 0 HB3 ASN A 68 22.194 -27.953 -58.956 1.00 0.00 H new ATOM 0 HD21 ASN A 68 21.842 -25.669 -59.027 1.00 0.00 H new ATOM 0 HD22 ASN A 68 23.181 -24.516 -58.987 1.00 0.00 H new ATOM 1054 N ARG A 69 24.715 -29.505 -56.202 1.00 0.00 N ATOM 1055 CA ARG A 69 25.868 -29.962 -55.370 1.00 0.00 C ATOM 1056 C ARG A 69 27.077 -29.009 -55.404 1.00 0.00 C ATOM 1057 O ARG A 69 27.753 -28.862 -54.387 1.00 0.00 O ATOM 1058 CB ARG A 69 26.349 -31.371 -55.792 1.00 0.00 C ATOM 1059 CG ARG A 69 25.375 -32.534 -55.500 1.00 0.00 C ATOM 1060 CD ARG A 69 26.071 -33.909 -55.608 1.00 0.00 C ATOM 1061 NE ARG A 69 26.683 -34.137 -56.946 1.00 0.00 N ATOM 1062 CZ ARG A 69 28.002 -34.194 -57.209 1.00 0.00 C ATOM 1063 NH1 ARG A 69 28.907 -33.945 -56.271 1.00 0.00 N ATOM 1064 NH2 ARG A 69 28.408 -34.457 -58.441 1.00 0.00 N ATOM 0 H ARG A 69 24.428 -30.191 -56.900 1.00 0.00 H new ATOM 0 HA ARG A 69 25.481 -29.979 -54.351 1.00 0.00 H new ATOM 0 HB2 ARG A 69 26.557 -31.357 -56.862 1.00 0.00 H new ATOM 0 HB3 ARG A 69 27.292 -31.578 -55.287 1.00 0.00 H new ATOM 0 HG2 ARG A 69 24.958 -32.416 -54.500 1.00 0.00 H new ATOM 0 HG3 ARG A 69 24.541 -32.493 -56.200 1.00 0.00 H new ATOM 0 HD2 ARG A 69 26.843 -33.983 -54.842 1.00 0.00 H new ATOM 0 HD3 ARG A 69 25.345 -34.697 -55.406 1.00 0.00 H new ATOM 0 HE ARG A 69 26.046 -34.261 -57.733 1.00 0.00 H new ATOM 0 HH11 ARG A 69 28.609 -33.704 -55.326 1.00 0.00 H new ATOM 0 HH12 ARG A 69 29.901 -33.995 -56.495 1.00 0.00 H new ATOM 0 HH21 ARG A 69 27.724 -34.614 -59.181 1.00 0.00 H new ATOM 0 HH22 ARG A 69 29.405 -34.502 -58.651 1.00 0.00 H new ATOM 1078 N LYS A 70 27.349 -28.395 -56.575 1.00 0.00 N ATOM 1079 CA LYS A 70 28.477 -27.446 -56.743 1.00 0.00 C ATOM 1080 C LYS A 70 28.361 -26.332 -55.685 1.00 0.00 C ATOM 1081 O LYS A 70 29.319 -26.051 -54.963 1.00 0.00 O ATOM 1082 CB LYS A 70 28.491 -26.867 -58.198 1.00 0.00 C ATOM 1083 CG LYS A 70 29.759 -26.057 -58.627 1.00 0.00 C ATOM 1084 CD LYS A 70 29.855 -24.627 -58.021 1.00 0.00 C ATOM 1085 CE LYS A 70 31.093 -23.845 -58.490 1.00 0.00 C ATOM 1086 NZ LYS A 70 32.367 -24.549 -58.162 1.00 0.00 N ATOM 0 H LYS A 70 26.801 -28.539 -57.424 1.00 0.00 H new ATOM 0 HA LYS A 70 29.424 -27.965 -56.595 1.00 0.00 H new ATOM 0 HB2 LYS A 70 28.367 -27.697 -58.894 1.00 0.00 H new ATOM 0 HB3 LYS A 70 27.621 -26.221 -58.314 1.00 0.00 H new ATOM 0 HG2 LYS A 70 30.647 -26.619 -58.338 1.00 0.00 H new ATOM 0 HG3 LYS A 70 29.772 -25.977 -59.714 1.00 0.00 H new ATOM 0 HD2 LYS A 70 28.959 -24.067 -58.287 1.00 0.00 H new ATOM 0 HD3 LYS A 70 29.873 -24.702 -56.934 1.00 0.00 H new ATOM 0 HE2 LYS A 70 31.034 -23.688 -59.567 1.00 0.00 H new ATOM 0 HE3 LYS A 70 31.095 -22.859 -58.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 33.173 -23.939 -58.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 32.392 -24.767 -57.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 32.425 -25.433 -58.707 1.00 0.00 H new ATOM 1100 N GLN A 71 27.151 -25.750 -55.588 1.00 0.00 N ATOM 1101 CA GLN A 71 26.841 -24.660 -54.645 1.00 0.00 C ATOM 1102 C GLN A 71 26.967 -25.131 -53.184 1.00 0.00 C ATOM 1103 O GLN A 71 27.390 -24.360 -52.329 1.00 0.00 O ATOM 1104 CB GLN A 71 25.418 -24.122 -54.893 1.00 0.00 C ATOM 1105 CG GLN A 71 25.202 -23.461 -56.259 1.00 0.00 C ATOM 1106 CD GLN A 71 23.723 -23.226 -56.565 1.00 0.00 C ATOM 1107 OE1 GLN A 71 22.879 -23.984 -56.120 1.00 0.00 O ATOM 1108 NE2 GLN A 71 23.400 -22.185 -57.318 1.00 0.00 N ATOM 0 H GLN A 71 26.356 -26.025 -56.165 1.00 0.00 H new ATOM 0 HA GLN A 71 27.564 -23.862 -54.815 1.00 0.00 H new ATOM 0 HB2 GLN A 71 24.712 -24.946 -54.789 1.00 0.00 H new ATOM 0 HB3 GLN A 71 25.179 -23.398 -54.114 1.00 0.00 H new ATOM 0 HG2 GLN A 71 25.732 -22.509 -56.287 1.00 0.00 H new ATOM 0 HG3 GLN A 71 25.636 -24.090 -57.037 1.00 0.00 H new ATOM 0 HE21 GLN A 71 24.130 -21.568 -57.676 1.00 0.00 H new ATOM 0 HE22 GLN A 71 22.422 -22.000 -57.540 1.00 0.00 H new ATOM 1117 N LEU A 72 26.600 -26.407 -52.929 1.00 0.00 N ATOM 1118 CA LEU A 72 26.656 -27.015 -51.578 1.00 0.00 C ATOM 1119 C LEU A 72 28.122 -27.090 -51.112 1.00 0.00 C ATOM 1120 O LEU A 72 28.467 -26.613 -50.038 1.00 0.00 O ATOM 1121 CB LEU A 72 26.000 -28.448 -51.595 1.00 0.00 C ATOM 1122 CG LEU A 72 25.407 -29.018 -50.251 1.00 0.00 C ATOM 1123 CD1 LEU A 72 26.456 -29.192 -49.141 1.00 0.00 C ATOM 1124 CD2 LEU A 72 24.220 -28.162 -49.771 1.00 0.00 C ATOM 0 H LEU A 72 26.258 -27.043 -53.650 1.00 0.00 H new ATOM 0 HA LEU A 72 26.094 -26.396 -50.878 1.00 0.00 H new ATOM 0 HB2 LEU A 72 25.198 -28.437 -52.333 1.00 0.00 H new ATOM 0 HB3 LEU A 72 26.751 -29.153 -51.951 1.00 0.00 H new ATOM 0 HG LEU A 72 25.047 -30.022 -50.477 1.00 0.00 H new ATOM 0 HD11 LEU A 72 25.976 -29.588 -48.246 1.00 0.00 H new ATOM 0 HD12 LEU A 72 27.228 -29.885 -49.476 1.00 0.00 H new ATOM 0 HD13 LEU A 72 26.908 -28.227 -48.913 1.00 0.00 H new ATOM 0 HD21 LEU A 72 23.827 -28.574 -48.842 1.00 0.00 H new ATOM 0 HD22 LEU A 72 24.555 -27.139 -49.601 1.00 0.00 H new ATOM 0 HD23 LEU A 72 23.438 -28.167 -50.530 1.00 0.00 H new ATOM 1136 N GLU A 73 28.966 -27.665 -51.972 1.00 0.00 N ATOM 1137 CA GLU A 73 30.381 -27.964 -51.675 1.00 0.00 C ATOM 1138 C GLU A 73 31.216 -26.684 -51.560 1.00 0.00 C ATOM 1139 O GLU A 73 32.042 -26.561 -50.642 1.00 0.00 O ATOM 1140 CB GLU A 73 30.938 -28.896 -52.779 1.00 0.00 C ATOM 1141 CG GLU A 73 30.222 -30.260 -52.850 1.00 0.00 C ATOM 1142 CD GLU A 73 30.647 -31.129 -54.043 1.00 0.00 C ATOM 1143 OE1 GLU A 73 31.846 -31.439 -54.158 1.00 0.00 O ATOM 1144 OE2 GLU A 73 29.780 -31.541 -54.849 1.00 0.00 O ATOM 0 H GLU A 73 28.686 -27.943 -52.913 1.00 0.00 H new ATOM 0 HA GLU A 73 30.443 -28.466 -50.709 1.00 0.00 H new ATOM 0 HB2 GLU A 73 30.849 -28.397 -53.744 1.00 0.00 H new ATOM 0 HB3 GLU A 73 32.001 -29.061 -52.602 1.00 0.00 H new ATOM 0 HG2 GLU A 73 30.415 -30.808 -51.928 1.00 0.00 H new ATOM 0 HG3 GLU A 73 29.146 -30.092 -52.902 1.00 0.00 H new ATOM 1151 N GLN A 74 30.974 -25.723 -52.476 1.00 0.00 N ATOM 1152 CA GLN A 74 31.639 -24.410 -52.438 1.00 0.00 C ATOM 1153 C GLN A 74 31.184 -23.628 -51.192 1.00 0.00 C ATOM 1154 O GLN A 74 31.972 -22.877 -50.621 1.00 0.00 O ATOM 1155 CB GLN A 74 31.427 -23.581 -53.759 1.00 0.00 C ATOM 1156 CG GLN A 74 29.983 -23.064 -54.035 1.00 0.00 C ATOM 1157 CD GLN A 74 29.653 -21.640 -53.527 1.00 0.00 C ATOM 1158 OE1 GLN A 74 30.235 -21.141 -52.563 1.00 0.00 O ATOM 1159 NE2 GLN A 74 28.696 -20.982 -54.172 1.00 0.00 N ATOM 0 H GLN A 74 30.321 -25.835 -53.251 1.00 0.00 H new ATOM 0 HA GLN A 74 32.713 -24.584 -52.370 1.00 0.00 H new ATOM 0 HB2 GLN A 74 32.097 -22.722 -53.733 1.00 0.00 H new ATOM 0 HB3 GLN A 74 31.734 -24.200 -54.602 1.00 0.00 H new ATOM 0 HG2 GLN A 74 29.810 -23.091 -55.111 1.00 0.00 H new ATOM 0 HG3 GLN A 74 29.278 -23.761 -53.581 1.00 0.00 H new ATOM 0 HE21 GLN A 74 28.227 -21.414 -54.968 1.00 0.00 H new ATOM 0 HE22 GLN A 74 28.430 -20.044 -53.871 1.00 0.00 H new ATOM 1168 N TYR A 75 29.908 -23.834 -50.779 1.00 0.00 N ATOM 1169 CA TYR A 75 29.353 -23.237 -49.548 1.00 0.00 C ATOM 1170 C TYR A 75 30.139 -23.748 -48.333 1.00 0.00 C ATOM 1171 O TYR A 75 30.533 -22.959 -47.496 1.00 0.00 O ATOM 1172 CB TYR A 75 27.834 -23.570 -49.397 1.00 0.00 C ATOM 1173 CG TYR A 75 27.092 -22.881 -48.226 1.00 0.00 C ATOM 1174 CD1 TYR A 75 26.160 -21.862 -48.450 1.00 0.00 C ATOM 1175 CD2 TYR A 75 27.312 -23.264 -46.899 1.00 0.00 C ATOM 1176 CE1 TYR A 75 25.489 -21.263 -47.397 1.00 0.00 C ATOM 1177 CE2 TYR A 75 26.649 -22.660 -45.856 1.00 0.00 C ATOM 1178 CZ TYR A 75 25.740 -21.671 -46.106 1.00 0.00 C ATOM 1179 OH TYR A 75 25.072 -21.088 -45.059 1.00 0.00 O ATOM 0 H TYR A 75 29.243 -24.415 -51.289 1.00 0.00 H new ATOM 0 HA TYR A 75 29.449 -22.153 -49.610 1.00 0.00 H new ATOM 0 HB2 TYR A 75 27.331 -23.301 -50.326 1.00 0.00 H new ATOM 0 HB3 TYR A 75 27.731 -24.649 -49.280 1.00 0.00 H new ATOM 0 HD1 TYR A 75 25.961 -21.537 -49.461 1.00 0.00 H new ATOM 0 HD2 TYR A 75 28.019 -24.053 -46.688 1.00 0.00 H new ATOM 0 HE1 TYR A 75 24.771 -20.479 -47.588 1.00 0.00 H new ATOM 0 HE2 TYR A 75 26.847 -22.967 -44.840 1.00 0.00 H new ATOM 0 HH TYR A 75 25.367 -21.493 -44.217 1.00 0.00 H new ATOM 1189 N LEU A 76 30.369 -25.072 -48.265 1.00 0.00 N ATOM 1190 CA LEU A 76 31.032 -25.718 -47.109 1.00 0.00 C ATOM 1191 C LEU A 76 32.473 -25.196 -46.929 1.00 0.00 C ATOM 1192 O LEU A 76 32.859 -24.780 -45.835 1.00 0.00 O ATOM 1193 CB LEU A 76 31.052 -27.262 -47.264 1.00 0.00 C ATOM 1194 CG LEU A 76 29.669 -27.966 -47.425 1.00 0.00 C ATOM 1195 CD1 LEU A 76 29.832 -29.492 -47.566 1.00 0.00 C ATOM 1196 CD2 LEU A 76 28.695 -27.591 -46.281 1.00 0.00 C ATOM 0 H LEU A 76 30.104 -25.724 -49.003 1.00 0.00 H new ATOM 0 HA LEU A 76 30.453 -25.462 -46.222 1.00 0.00 H new ATOM 0 HB2 LEU A 76 31.663 -27.509 -48.132 1.00 0.00 H new ATOM 0 HB3 LEU A 76 31.550 -27.685 -46.392 1.00 0.00 H new ATOM 0 HG LEU A 76 29.222 -27.600 -48.349 1.00 0.00 H new ATOM 0 HD11 LEU A 76 28.851 -29.954 -47.676 1.00 0.00 H new ATOM 0 HD12 LEU A 76 30.438 -29.714 -48.444 1.00 0.00 H new ATOM 0 HD13 LEU A 76 30.322 -29.889 -46.677 1.00 0.00 H new ATOM 0 HD21 LEU A 76 27.744 -28.102 -46.431 1.00 0.00 H new ATOM 0 HD22 LEU A 76 29.123 -27.893 -45.325 1.00 0.00 H new ATOM 0 HD23 LEU A 76 28.532 -26.513 -46.281 1.00 0.00 H new ATOM 1208 N LYS A 77 33.241 -25.182 -48.034 1.00 0.00 N ATOM 1209 CA LYS A 77 34.661 -24.777 -48.015 1.00 0.00 C ATOM 1210 C LYS A 77 34.819 -23.243 -47.852 1.00 0.00 C ATOM 1211 O LYS A 77 35.895 -22.758 -47.506 1.00 0.00 O ATOM 1212 CB LYS A 77 35.401 -25.332 -49.277 1.00 0.00 C ATOM 1213 CG LYS A 77 34.899 -24.826 -50.660 1.00 0.00 C ATOM 1214 CD LYS A 77 35.587 -23.519 -51.131 1.00 0.00 C ATOM 1215 CE LYS A 77 35.127 -23.077 -52.527 1.00 0.00 C ATOM 1216 NZ LYS A 77 35.807 -21.834 -52.980 1.00 0.00 N ATOM 0 H LYS A 77 32.900 -25.448 -48.958 1.00 0.00 H new ATOM 0 HA LYS A 77 35.135 -25.219 -47.139 1.00 0.00 H new ATOM 0 HB2 LYS A 77 36.459 -25.084 -49.188 1.00 0.00 H new ATOM 0 HB3 LYS A 77 35.326 -26.419 -49.265 1.00 0.00 H new ATOM 0 HG2 LYS A 77 35.067 -25.604 -51.405 1.00 0.00 H new ATOM 0 HG3 LYS A 77 33.823 -24.662 -50.608 1.00 0.00 H new ATOM 0 HD2 LYS A 77 35.377 -22.724 -50.415 1.00 0.00 H new ATOM 0 HD3 LYS A 77 36.667 -23.664 -51.138 1.00 0.00 H new ATOM 0 HE2 LYS A 77 35.323 -23.876 -53.241 1.00 0.00 H new ATOM 0 HE3 LYS A 77 34.049 -22.916 -52.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 35.464 -21.576 -53.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 35.600 -21.062 -52.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 36.834 -21.994 -53.016 1.00 0.00 H new ATOM 1230 N SER A 78 33.730 -22.491 -48.119 1.00 0.00 N ATOM 1231 CA SER A 78 33.685 -21.021 -47.923 1.00 0.00 C ATOM 1232 C SER A 78 33.136 -20.671 -46.520 1.00 0.00 C ATOM 1233 O SER A 78 33.472 -19.627 -45.954 1.00 0.00 O ATOM 1234 CB SER A 78 32.808 -20.381 -49.033 1.00 0.00 C ATOM 1235 OG SER A 78 32.799 -18.959 -48.983 1.00 0.00 O ATOM 0 H SER A 78 32.858 -22.882 -48.476 1.00 0.00 H new ATOM 0 HA SER A 78 34.696 -20.620 -47.991 1.00 0.00 H new ATOM 0 HB2 SER A 78 33.174 -20.703 -50.008 1.00 0.00 H new ATOM 0 HB3 SER A 78 31.786 -20.749 -48.939 1.00 0.00 H new ATOM 0 HG SER A 78 32.234 -18.610 -49.704 1.00 0.00 H new ATOM 1241 N HIS A 79 32.294 -21.567 -45.972 1.00 0.00 N ATOM 1242 CA HIS A 79 31.573 -21.359 -44.698 1.00 0.00 C ATOM 1243 C HIS A 79 31.833 -22.570 -43.778 1.00 0.00 C ATOM 1244 O HIS A 79 31.119 -23.582 -43.878 1.00 0.00 O ATOM 1245 CB HIS A 79 30.042 -21.192 -44.934 1.00 0.00 C ATOM 1246 CG HIS A 79 29.663 -20.122 -45.918 1.00 0.00 C ATOM 1247 ND1 HIS A 79 29.338 -20.399 -47.223 1.00 0.00 N ATOM 1248 CD2 HIS A 79 29.540 -18.784 -45.782 1.00 0.00 C ATOM 1249 CE1 HIS A 79 29.039 -19.288 -47.852 1.00 0.00 C ATOM 1250 NE2 HIS A 79 29.149 -18.289 -47.002 1.00 0.00 N ATOM 0 H HIS A 79 32.091 -22.468 -46.406 1.00 0.00 H new ATOM 0 HA HIS A 79 31.938 -20.444 -44.232 1.00 0.00 H new ATOM 0 HB2 HIS A 79 29.638 -22.143 -45.281 1.00 0.00 H new ATOM 0 HB3 HIS A 79 29.565 -20.972 -43.979 1.00 0.00 H new ATOM 0 HD1 HIS A 79 29.330 -21.330 -47.641 1.00 0.00 H new ATOM 0 HD2 HIS A 79 29.716 -18.211 -44.883 1.00 0.00 H new ATOM 0 HE1 HIS A 79 28.752 -19.207 -48.890 1.00 0.00 H new ATOM 1259 N PRO A 80 32.883 -22.509 -42.898 1.00 0.00 N ATOM 1260 CA PRO A 80 33.211 -23.614 -41.952 1.00 0.00 C ATOM 1261 C PRO A 80 32.099 -23.849 -40.908 1.00 0.00 C ATOM 1262 O PRO A 80 31.251 -22.977 -40.681 1.00 0.00 O ATOM 1263 CB PRO A 80 34.530 -23.131 -41.289 1.00 0.00 C ATOM 1264 CG PRO A 80 34.503 -21.640 -41.426 1.00 0.00 C ATOM 1265 CD PRO A 80 33.835 -21.370 -42.754 1.00 0.00 C ATOM 0 HA PRO A 80 33.309 -24.577 -42.454 1.00 0.00 H new ATOM 0 HB2 PRO A 80 34.580 -23.431 -40.242 1.00 0.00 H new ATOM 0 HB3 PRO A 80 35.402 -23.558 -41.785 1.00 0.00 H new ATOM 0 HG2 PRO A 80 33.949 -21.180 -40.607 1.00 0.00 H new ATOM 0 HG3 PRO A 80 35.511 -21.225 -41.402 1.00 0.00 H new ATOM 0 HD2 PRO A 80 33.318 -20.411 -42.756 1.00 0.00 H new ATOM 0 HD3 PRO A 80 34.558 -21.344 -43.570 1.00 0.00 H new ATOM 1273 N GLY A 81 32.101 -25.052 -40.305 1.00 0.00 N ATOM 1274 CA GLY A 81 31.126 -25.428 -39.276 1.00 0.00 C ATOM 1275 C GLY A 81 29.889 -26.117 -39.850 1.00 0.00 C ATOM 1276 O GLY A 81 29.206 -26.869 -39.141 1.00 0.00 O ATOM 0 H GLY A 81 32.777 -25.785 -40.519 1.00 0.00 H new ATOM 0 HA2 GLY A 81 31.604 -26.092 -38.556 1.00 0.00 H new ATOM 0 HA3 GLY A 81 30.818 -24.535 -38.731 1.00 0.00 H new ATOM 1280 N ASN A 82 29.599 -25.848 -41.138 1.00 0.00 N ATOM 1281 CA ASN A 82 28.474 -26.464 -41.863 1.00 0.00 C ATOM 1282 C ASN A 82 28.783 -27.947 -42.173 1.00 0.00 C ATOM 1283 O ASN A 82 29.884 -28.251 -42.658 1.00 0.00 O ATOM 1284 CB ASN A 82 28.170 -25.680 -43.163 1.00 0.00 C ATOM 1285 CG ASN A 82 27.532 -24.315 -42.894 1.00 0.00 C ATOM 1286 OD1 ASN A 82 26.306 -24.198 -42.826 1.00 0.00 O ATOM 1287 ND2 ASN A 82 28.347 -23.280 -42.718 1.00 0.00 N ATOM 0 H ASN A 82 30.141 -25.196 -41.705 1.00 0.00 H new ATOM 0 HA ASN A 82 27.588 -26.424 -41.230 1.00 0.00 H new ATOM 0 HB2 ASN A 82 29.095 -25.540 -43.723 1.00 0.00 H new ATOM 0 HB3 ASN A 82 27.503 -26.271 -43.791 1.00 0.00 H new ATOM 0 HD21 ASN A 82 27.963 -22.356 -42.520 1.00 0.00 H new ATOM 0 HD22 ASN A 82 29.357 -23.410 -42.781 1.00 0.00 H new ATOM 1294 N PRO A 83 27.819 -28.886 -41.886 1.00 0.00 N ATOM 1295 CA PRO A 83 28.028 -30.347 -42.060 1.00 0.00 C ATOM 1296 C PRO A 83 28.341 -30.743 -43.521 1.00 0.00 C ATOM 1297 O PRO A 83 27.875 -30.094 -44.461 1.00 0.00 O ATOM 1298 CB PRO A 83 26.692 -30.968 -41.554 1.00 0.00 C ATOM 1299 CG PRO A 83 25.686 -29.862 -41.636 1.00 0.00 C ATOM 1300 CD PRO A 83 26.454 -28.591 -41.372 1.00 0.00 C ATOM 0 HA PRO A 83 28.898 -30.706 -41.510 1.00 0.00 H new ATOM 0 HB2 PRO A 83 26.395 -31.817 -42.170 1.00 0.00 H new ATOM 0 HB3 PRO A 83 26.791 -31.335 -40.532 1.00 0.00 H new ATOM 0 HG2 PRO A 83 25.212 -29.836 -42.617 1.00 0.00 H new ATOM 0 HG3 PRO A 83 24.892 -30.000 -40.902 1.00 0.00 H new ATOM 0 HD2 PRO A 83 26.008 -27.740 -41.887 1.00 0.00 H new ATOM 0 HD3 PRO A 83 26.471 -28.347 -40.310 1.00 0.00 H new ATOM 1308 N ALA A 84 29.148 -31.810 -43.677 1.00 0.00 N ATOM 1309 CA ALA A 84 29.641 -32.275 -44.988 1.00 0.00 C ATOM 1310 C ALA A 84 28.509 -32.855 -45.861 1.00 0.00 C ATOM 1311 O ALA A 84 27.569 -33.456 -45.349 1.00 0.00 O ATOM 1312 CB ALA A 84 30.767 -33.308 -44.807 1.00 0.00 C ATOM 0 H ALA A 84 29.477 -32.376 -42.895 1.00 0.00 H new ATOM 0 HA ALA A 84 30.040 -31.406 -45.511 1.00 0.00 H new ATOM 0 HB1 ALA A 84 31.118 -33.639 -45.785 1.00 0.00 H new ATOM 0 HB2 ALA A 84 31.593 -32.854 -44.260 1.00 0.00 H new ATOM 0 HB3 ALA A 84 30.389 -34.164 -44.248 1.00 0.00 H new ATOM 1318 N ILE A 85 28.651 -32.694 -47.190 1.00 0.00 N ATOM 1319 CA ILE A 85 27.652 -33.129 -48.197 1.00 0.00 C ATOM 1320 C ILE A 85 27.456 -34.678 -48.203 1.00 0.00 C ATOM 1321 O ILE A 85 26.469 -35.187 -48.754 1.00 0.00 O ATOM 1322 CB ILE A 85 28.046 -32.587 -49.634 1.00 0.00 C ATOM 1323 CG1 ILE A 85 26.907 -32.836 -50.680 1.00 0.00 C ATOM 1324 CG2 ILE A 85 29.394 -33.174 -50.112 1.00 0.00 C ATOM 1325 CD1 ILE A 85 27.158 -32.266 -52.072 1.00 0.00 C ATOM 0 H ILE A 85 29.472 -32.253 -47.605 1.00 0.00 H new ATOM 0 HA ILE A 85 26.691 -32.698 -47.918 1.00 0.00 H new ATOM 0 HB ILE A 85 28.173 -31.508 -49.547 1.00 0.00 H new ATOM 0 HG12 ILE A 85 26.748 -33.911 -50.770 1.00 0.00 H new ATOM 0 HG13 ILE A 85 25.982 -32.409 -50.293 1.00 0.00 H new ATOM 0 HG21 ILE A 85 29.632 -32.781 -51.100 1.00 0.00 H new ATOM 0 HG22 ILE A 85 30.181 -32.896 -49.411 1.00 0.00 H new ATOM 0 HG23 ILE A 85 29.320 -34.260 -50.162 1.00 0.00 H new ATOM 0 HD11 ILE A 85 26.309 -32.494 -52.717 1.00 0.00 H new ATOM 0 HD12 ILE A 85 27.283 -31.185 -52.006 1.00 0.00 H new ATOM 0 HD13 ILE A 85 28.061 -32.711 -52.490 1.00 0.00 H new ATOM 1337 N ALA A 86 28.383 -35.406 -47.546 1.00 0.00 N ATOM 1338 CA ALA A 86 28.312 -36.873 -47.365 1.00 0.00 C ATOM 1339 C ALA A 86 27.010 -37.313 -46.642 1.00 0.00 C ATOM 1340 O ALA A 86 26.416 -38.339 -46.993 1.00 0.00 O ATOM 1341 CB ALA A 86 29.554 -37.362 -46.591 1.00 0.00 C ATOM 0 H ALA A 86 29.211 -34.988 -47.121 1.00 0.00 H new ATOM 0 HA ALA A 86 28.295 -37.331 -48.354 1.00 0.00 H new ATOM 0 HB1 ALA A 86 29.499 -38.443 -46.459 1.00 0.00 H new ATOM 0 HB2 ALA A 86 30.454 -37.110 -47.151 1.00 0.00 H new ATOM 0 HB3 ALA A 86 29.588 -36.879 -45.614 1.00 0.00 H new ATOM 1347 N GLU A 87 26.574 -36.521 -45.639 1.00 0.00 N ATOM 1348 CA GLU A 87 25.323 -36.789 -44.881 1.00 0.00 C ATOM 1349 C GLU A 87 24.099 -36.095 -45.522 1.00 0.00 C ATOM 1350 O GLU A 87 22.958 -36.350 -45.114 1.00 0.00 O ATOM 1351 CB GLU A 87 25.479 -36.338 -43.407 1.00 0.00 C ATOM 1352 CG GLU A 87 25.827 -34.851 -43.231 1.00 0.00 C ATOM 1353 CD GLU A 87 25.930 -34.432 -41.764 1.00 0.00 C ATOM 1354 OE1 GLU A 87 24.912 -34.017 -41.171 1.00 0.00 O ATOM 1355 OE2 GLU A 87 27.031 -34.528 -41.182 1.00 0.00 O ATOM 0 H GLU A 87 27.070 -35.685 -45.331 1.00 0.00 H new ATOM 0 HA GLU A 87 25.147 -37.864 -44.913 1.00 0.00 H new ATOM 0 HB2 GLU A 87 24.550 -36.547 -42.876 1.00 0.00 H new ATOM 0 HB3 GLU A 87 26.257 -36.939 -42.936 1.00 0.00 H new ATOM 0 HG2 GLU A 87 26.774 -34.643 -43.730 1.00 0.00 H new ATOM 0 HG3 GLU A 87 25.067 -34.245 -43.724 1.00 0.00 H new ATOM 1362 N PHE A 88 24.346 -35.208 -46.496 1.00 0.00 N ATOM 1363 CA PHE A 88 23.283 -34.533 -47.263 1.00 0.00 C ATOM 1364 C PHE A 88 22.723 -35.507 -48.302 1.00 0.00 C ATOM 1365 O PHE A 88 23.445 -35.935 -49.217 1.00 0.00 O ATOM 1366 CB PHE A 88 23.823 -33.248 -47.955 1.00 0.00 C ATOM 1367 CG PHE A 88 24.057 -32.074 -47.010 1.00 0.00 C ATOM 1368 CD1 PHE A 88 23.612 -30.801 -47.332 1.00 0.00 C ATOM 1369 CD2 PHE A 88 24.720 -32.241 -45.799 1.00 0.00 C ATOM 1370 CE1 PHE A 88 23.826 -29.741 -46.482 1.00 0.00 C ATOM 1371 CE2 PHE A 88 24.931 -31.182 -44.954 1.00 0.00 C ATOM 1372 CZ PHE A 88 24.488 -29.931 -45.296 1.00 0.00 C ATOM 0 H PHE A 88 25.288 -34.936 -46.776 1.00 0.00 H new ATOM 0 HA PHE A 88 22.489 -34.229 -46.581 1.00 0.00 H new ATOM 0 HB2 PHE A 88 24.761 -33.487 -48.457 1.00 0.00 H new ATOM 0 HB3 PHE A 88 23.117 -32.942 -48.727 1.00 0.00 H new ATOM 0 HD1 PHE A 88 23.090 -30.639 -48.263 1.00 0.00 H new ATOM 0 HD2 PHE A 88 25.075 -33.222 -45.519 1.00 0.00 H new ATOM 0 HE1 PHE A 88 23.472 -28.756 -46.749 1.00 0.00 H new ATOM 0 HE2 PHE A 88 25.447 -31.334 -44.018 1.00 0.00 H new ATOM 0 HZ PHE A 88 24.660 -29.096 -44.633 1.00 0.00 H new ATOM 1382 N ASP A 89 21.439 -35.858 -48.146 1.00 0.00 N ATOM 1383 CA ASP A 89 20.768 -36.842 -48.999 1.00 0.00 C ATOM 1384 C ASP A 89 20.105 -36.118 -50.186 1.00 0.00 C ATOM 1385 O ASP A 89 19.139 -35.378 -50.007 1.00 0.00 O ATOM 1386 CB ASP A 89 19.714 -37.670 -48.181 1.00 0.00 C ATOM 1387 CG ASP A 89 19.403 -39.043 -48.812 1.00 0.00 C ATOM 1388 OD1 ASP A 89 19.128 -39.100 -50.021 1.00 0.00 O ATOM 1389 OD2 ASP A 89 19.432 -40.075 -48.103 1.00 0.00 O ATOM 0 H ASP A 89 20.837 -35.465 -47.422 1.00 0.00 H new ATOM 0 HA ASP A 89 21.507 -37.547 -49.381 1.00 0.00 H new ATOM 0 HB2 ASP A 89 20.085 -37.818 -47.167 1.00 0.00 H new ATOM 0 HB3 ASP A 89 18.791 -37.095 -48.102 1.00 0.00 H new ATOM 1394 N TRP A 90 20.664 -36.321 -51.385 1.00 0.00 N ATOM 1395 CA TRP A 90 20.123 -35.781 -52.648 1.00 0.00 C ATOM 1396 C TRP A 90 19.267 -36.852 -53.360 1.00 0.00 C ATOM 1397 O TRP A 90 18.375 -36.516 -54.146 1.00 0.00 O ATOM 1398 CB TRP A 90 21.290 -35.316 -53.566 1.00 0.00 C ATOM 1399 CG TRP A 90 22.109 -34.177 -52.983 1.00 0.00 C ATOM 1400 CD1 TRP A 90 23.069 -34.260 -52.011 1.00 0.00 C ATOM 1401 CD2 TRP A 90 22.023 -32.786 -53.332 1.00 0.00 C ATOM 1402 NE1 TRP A 90 23.574 -33.018 -51.738 1.00 0.00 N ATOM 1403 CE2 TRP A 90 22.950 -32.098 -52.534 1.00 0.00 C ATOM 1404 CE3 TRP A 90 21.251 -32.060 -54.242 1.00 0.00 C ATOM 1405 CZ2 TRP A 90 23.124 -30.724 -52.619 1.00 0.00 C ATOM 1406 CZ3 TRP A 90 21.422 -30.691 -54.321 1.00 0.00 C ATOM 1407 CH2 TRP A 90 22.353 -30.035 -53.512 1.00 0.00 C ATOM 0 H TRP A 90 21.514 -36.870 -51.512 1.00 0.00 H new ATOM 0 HA TRP A 90 19.488 -34.923 -52.427 1.00 0.00 H new ATOM 0 HB2 TRP A 90 21.948 -36.163 -53.759 1.00 0.00 H new ATOM 0 HB3 TRP A 90 20.882 -35.003 -54.527 1.00 0.00 H new ATOM 0 HD1 TRP A 90 23.383 -35.174 -51.529 1.00 0.00 H new ATOM 0 HE1 TRP A 90 24.299 -32.812 -51.051 1.00 0.00 H new ATOM 0 HE3 TRP A 90 20.532 -32.561 -54.874 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 23.847 -30.215 -51.998 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 20.827 -30.120 -55.018 1.00 0.00 H new ATOM 0 HH2 TRP A 90 22.465 -28.964 -53.594 1.00 0.00 H new ATOM 1418 N THR A 91 19.525 -38.144 -53.040 1.00 0.00 N ATOM 1419 CA THR A 91 18.879 -39.299 -53.715 1.00 0.00 C ATOM 1420 C THR A 91 17.539 -39.689 -53.031 1.00 0.00 C ATOM 1421 O THR A 91 16.923 -40.700 -53.383 1.00 0.00 O ATOM 1422 CB THR A 91 19.864 -40.529 -53.776 1.00 0.00 C ATOM 1423 OG1 THR A 91 19.347 -41.561 -54.645 1.00 0.00 O ATOM 1424 CG2 THR A 91 20.156 -41.131 -52.387 1.00 0.00 C ATOM 0 H THR A 91 20.184 -38.415 -52.310 1.00 0.00 H new ATOM 0 HA THR A 91 18.644 -38.997 -54.735 1.00 0.00 H new ATOM 0 HB THR A 91 20.802 -40.145 -54.176 1.00 0.00 H new ATOM 0 HG1 THR A 91 18.379 -41.643 -54.515 1.00 0.00 H new ATOM 0 HG21 THR A 91 20.839 -41.974 -52.492 1.00 0.00 H new ATOM 0 HG22 THR A 91 20.611 -40.372 -51.750 1.00 0.00 H new ATOM 0 HG23 THR A 91 19.225 -41.473 -51.936 1.00 0.00 H new