USER MOD reduce.3.24.130724 H: found=0, std=0, add=532, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 531 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 Single : A 35 SER OG : rot 30:sc= 0.423 USER MOD Single : A 39 SER OG : rot 180:sc= 0.501 USER MOD Single : A 41 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.498) USER MOD Single : A 43 HIS : no HD1:sc= -0.0295 X(o=-0.029,f=-0.42) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot -130:sc= 0.00111 USER MOD Single : A 53 SER OG : rot 90:sc= 1.15 USER MOD Single : A 56 LYS NZ :NH3+ 162:sc= -0.0495 (180deg=-0.417) USER MOD Single : A 57 GLN : amide:sc=-0.00409 X(o=-0.0041,f=0) USER MOD Single : A 59 TYR OH : rot 27:sc= 0.0285 USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.437 K(o=-0.44,f=-1.7!) USER MOD Single : A 74 THR OG1 : rot 15:sc= -0.0204 USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 LYS NZ :NH3+ -161:sc= -0.0815 (180deg=-0.645) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -152:sc= -5.29! (180deg=-8.3!) USER MOD Single : A 95 THR OG1 : rot -13:sc= -0.471 USER MOD ----------------------------------------------------------------- ATOM 402 N ASP A 30 7.246 -13.056 -4.625 1.00 0.00 N ATOM 403 CA ASP A 30 7.539 -11.714 -5.210 1.00 0.00 C ATOM 404 C ASP A 30 6.367 -10.775 -4.915 1.00 0.00 C ATOM 405 O ASP A 30 6.122 -9.826 -5.636 1.00 0.00 O ATOM 406 CB ASP A 30 7.752 -11.827 -6.722 1.00 0.00 C ATOM 407 CG ASP A 30 6.537 -12.470 -7.396 1.00 0.00 C ATOM 408 OD1 ASP A 30 5.527 -12.637 -6.733 1.00 0.00 O ATOM 409 OD2 ASP A 30 6.640 -12.790 -8.568 1.00 0.00 O ATOM 0 HA ASP A 30 8.450 -11.316 -4.764 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.926 -10.837 -7.144 1.00 0.00 H new ATOM 0 HB3 ASP A 30 8.643 -12.421 -6.925 1.00 0.00 H new ATOM 414 N VAL A 31 5.642 -11.039 -3.852 1.00 0.00 N ATOM 415 CA VAL A 31 4.471 -10.178 -3.484 1.00 0.00 C ATOM 416 C VAL A 31 4.710 -9.554 -2.108 1.00 0.00 C ATOM 417 O VAL A 31 5.143 -10.205 -1.178 1.00 0.00 O ATOM 418 CB VAL A 31 3.201 -11.033 -3.447 1.00 0.00 C ATOM 419 CG1 VAL A 31 2.025 -10.181 -2.967 1.00 0.00 C ATOM 420 CG2 VAL A 31 2.911 -11.566 -4.850 1.00 0.00 C ATOM 0 H VAL A 31 5.813 -11.820 -3.219 1.00 0.00 H new ATOM 0 HA VAL A 31 4.353 -9.387 -4.224 1.00 0.00 H new ATOM 0 HB VAL A 31 3.342 -11.869 -2.762 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.121 -10.790 -2.941 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.235 -9.801 -1.967 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.879 -9.344 -3.650 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.008 -12.175 -4.828 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.768 -10.730 -5.535 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.750 -12.173 -5.189 1.00 0.00 H new ATOM 430 N ALA A 32 4.444 -8.279 -1.991 1.00 0.00 N ATOM 431 CA ALA A 32 4.660 -7.559 -0.700 1.00 0.00 C ATOM 432 C ALA A 32 3.345 -7.427 0.062 1.00 0.00 C ATOM 433 O ALA A 32 2.271 -7.492 -0.500 1.00 0.00 O ATOM 434 CB ALA A 32 5.222 -6.164 -0.985 1.00 0.00 C ATOM 0 H ALA A 32 4.081 -7.698 -2.746 1.00 0.00 H new ATOM 0 HA ALA A 32 5.365 -8.127 -0.093 1.00 0.00 H new ATOM 0 HB1 ALA A 32 5.381 -5.636 -0.044 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.170 -6.255 -1.514 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.516 -5.606 -1.600 1.00 0.00 H new ATOM 440 N GLU A 33 3.444 -7.252 1.355 1.00 0.00 N ATOM 441 CA GLU A 33 2.230 -7.127 2.215 1.00 0.00 C ATOM 442 C GLU A 33 2.070 -5.685 2.692 1.00 0.00 C ATOM 443 O GLU A 33 2.964 -5.101 3.271 1.00 0.00 O ATOM 444 CB GLU A 33 2.383 -8.058 3.424 1.00 0.00 C ATOM 445 CG GLU A 33 1.085 -8.066 4.240 1.00 0.00 C ATOM 446 CD GLU A 33 -0.022 -8.767 3.446 1.00 0.00 C ATOM 447 OE1 GLU A 33 0.283 -9.333 2.409 1.00 0.00 O ATOM 448 OE2 GLU A 33 -1.157 -8.722 3.889 1.00 0.00 O ATOM 0 H GLU A 33 4.329 -7.190 1.858 1.00 0.00 H new ATOM 0 HA GLU A 33 1.346 -7.404 1.641 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.619 -9.068 3.089 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.213 -7.726 4.047 1.00 0.00 H new ATOM 0 HG2 GLU A 33 1.244 -8.578 5.189 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.786 -7.045 4.475 1.00 0.00 H new ATOM 455 N VAL A 34 0.915 -5.119 2.450 1.00 0.00 N ATOM 456 CA VAL A 34 0.635 -3.712 2.876 1.00 0.00 C ATOM 457 C VAL A 34 -0.618 -3.680 3.749 1.00 0.00 C ATOM 458 O VAL A 34 -1.636 -4.261 3.425 1.00 0.00 O ATOM 459 CB VAL A 34 0.410 -2.832 1.640 1.00 0.00 C ATOM 460 CG1 VAL A 34 -0.115 -1.459 2.080 1.00 0.00 C ATOM 461 CG2 VAL A 34 1.732 -2.653 0.893 1.00 0.00 C ATOM 0 H VAL A 34 0.142 -5.578 1.968 1.00 0.00 H new ATOM 0 HA VAL A 34 1.486 -3.335 3.443 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.318 -3.309 0.983 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.275 -0.833 1.203 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.057 -1.584 2.614 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.614 -0.984 2.737 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.572 -2.028 0.015 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.460 -2.176 1.550 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.108 -3.627 0.581 1.00 0.00 H new ATOM 471 N SER A 35 -0.547 -2.983 4.853 1.00 0.00 N ATOM 472 CA SER A 35 -1.724 -2.876 5.767 1.00 0.00 C ATOM 473 C SER A 35 -1.879 -1.442 6.252 1.00 0.00 C ATOM 474 O SER A 35 -0.962 -0.839 6.776 1.00 0.00 O ATOM 475 CB SER A 35 -1.528 -3.800 6.966 1.00 0.00 C ATOM 476 OG SER A 35 -0.327 -3.455 7.646 1.00 0.00 O ATOM 0 H SER A 35 0.283 -2.479 5.164 1.00 0.00 H new ATOM 0 HA SER A 35 -2.622 -3.169 5.224 1.00 0.00 H new ATOM 0 HB2 SER A 35 -2.378 -3.717 7.644 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.484 -4.837 6.635 1.00 0.00 H new ATOM 0 HG SER A 35 -0.154 -2.497 7.538 1.00 0.00 H new ATOM 482 N LEU A 36 -3.057 -0.899 6.078 1.00 0.00 N ATOM 483 CA LEU A 36 -3.338 0.497 6.515 1.00 0.00 C ATOM 484 C LEU A 36 -4.420 0.494 7.584 1.00 0.00 C ATOM 485 O LEU A 36 -5.449 -0.137 7.448 1.00 0.00 O ATOM 486 CB LEU A 36 -3.806 1.329 5.318 1.00 0.00 C ATOM 487 CG LEU A 36 -3.944 2.800 5.741 1.00 0.00 C ATOM 488 CD1 LEU A 36 -2.565 3.371 6.121 1.00 0.00 C ATOM 489 CD2 LEU A 36 -4.537 3.610 4.586 1.00 0.00 C ATOM 0 H LEU A 36 -3.848 -1.375 5.644 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.427 0.932 6.925 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.093 1.240 4.498 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.761 0.953 4.951 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.604 2.863 6.606 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.673 4.414 6.419 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.150 2.798 6.950 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.895 3.306 5.263 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.635 4.653 4.886 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.880 3.542 3.719 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.519 3.213 4.329 1.00 0.00 H new ATOM 501 N PHE A 37 -4.182 1.210 8.650 1.00 0.00 N ATOM 502 CA PHE A 37 -5.170 1.285 9.767 1.00 0.00 C ATOM 503 C PHE A 37 -5.807 2.671 9.794 1.00 0.00 C ATOM 504 O PHE A 37 -5.138 3.687 9.744 1.00 0.00 O ATOM 505 CB PHE A 37 -4.455 1.013 11.096 1.00 0.00 C ATOM 506 CG PHE A 37 -5.454 1.081 12.231 1.00 0.00 C ATOM 507 CD1 PHE A 37 -6.320 0.005 12.468 1.00 0.00 C ATOM 508 CD2 PHE A 37 -5.513 2.219 13.045 1.00 0.00 C ATOM 509 CE1 PHE A 37 -7.244 0.068 13.520 1.00 0.00 C ATOM 510 CE2 PHE A 37 -6.438 2.282 14.095 1.00 0.00 C ATOM 511 CZ PHE A 37 -7.303 1.207 14.333 1.00 0.00 C ATOM 0 H PHE A 37 -3.332 1.755 8.797 1.00 0.00 H new ATOM 0 HA PHE A 37 -5.949 0.538 9.617 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -3.982 0.031 11.072 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -3.662 1.745 11.251 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -6.275 -0.873 11.840 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -4.845 3.048 12.863 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -7.910 -0.762 13.704 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -6.484 3.160 14.722 1.00 0.00 H new ATOM 0 HZ PHE A 37 -8.015 1.256 15.143 1.00 0.00 H new ATOM 521 N GLY A 38 -7.107 2.703 9.867 1.00 0.00 N ATOM 522 CA GLY A 38 -7.839 3.997 9.893 1.00 0.00 C ATOM 523 C GLY A 38 -9.326 3.748 10.152 1.00 0.00 C ATOM 524 O GLY A 38 -9.730 2.689 10.591 1.00 0.00 O ATOM 0 H GLY A 38 -7.701 1.875 9.910 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -7.428 4.642 10.670 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -7.708 4.518 8.945 1.00 0.00 H new ATOM 528 N SER A 39 -10.135 4.740 9.889 1.00 0.00 N ATOM 529 CA SER A 39 -11.602 4.619 10.118 1.00 0.00 C ATOM 530 C SER A 39 -12.198 3.525 9.236 1.00 0.00 C ATOM 531 O SER A 39 -11.570 2.529 8.948 1.00 0.00 O ATOM 532 CB SER A 39 -12.285 5.950 9.784 1.00 0.00 C ATOM 533 OG SER A 39 -13.657 5.879 10.157 1.00 0.00 O ATOM 0 H SER A 39 -9.835 5.642 9.520 1.00 0.00 H new ATOM 0 HA SER A 39 -11.766 4.362 11.165 1.00 0.00 H new ATOM 0 HB2 SER A 39 -11.794 6.767 10.313 1.00 0.00 H new ATOM 0 HB3 SER A 39 -12.196 6.161 8.718 1.00 0.00 H new ATOM 0 HG SER A 39 -14.098 6.729 9.947 1.00 0.00 H new ATOM 539 N ASP A 40 -13.424 3.714 8.827 1.00 0.00 N ATOM 540 CA ASP A 40 -14.119 2.704 7.984 1.00 0.00 C ATOM 541 C ASP A 40 -13.314 2.405 6.721 1.00 0.00 C ATOM 542 O ASP A 40 -12.295 3.005 6.457 1.00 0.00 O ATOM 543 CB ASP A 40 -15.508 3.228 7.596 1.00 0.00 C ATOM 544 CG ASP A 40 -15.378 4.549 6.833 1.00 0.00 C ATOM 545 OD1 ASP A 40 -14.288 5.094 6.805 1.00 0.00 O ATOM 546 OD2 ASP A 40 -16.378 4.998 6.296 1.00 0.00 O ATOM 0 H ASP A 40 -13.981 4.540 9.046 1.00 0.00 H new ATOM 0 HA ASP A 40 -14.218 1.782 8.558 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -16.024 2.492 6.979 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -16.113 3.374 8.491 1.00 0.00 H new ATOM 551 N LYS A 41 -13.778 1.452 5.956 1.00 0.00 N ATOM 552 CA LYS A 41 -13.073 1.051 4.706 1.00 0.00 C ATOM 553 C LYS A 41 -13.039 2.226 3.729 1.00 0.00 C ATOM 554 O LYS A 41 -12.051 2.465 3.067 1.00 0.00 O ATOM 555 CB LYS A 41 -13.825 -0.121 4.060 1.00 0.00 C ATOM 556 CG LYS A 41 -13.035 -0.629 2.851 1.00 0.00 C ATOM 557 CD LYS A 41 -13.732 -1.854 2.255 1.00 0.00 C ATOM 558 CE LYS A 41 -12.919 -2.372 1.065 1.00 0.00 C ATOM 559 NZ LYS A 41 -13.572 -3.589 0.506 1.00 0.00 N ATOM 0 H LYS A 41 -14.631 0.927 6.150 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.052 0.753 4.946 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -13.959 -0.925 4.784 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -14.820 0.198 3.750 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -12.956 0.157 2.100 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -12.019 -0.887 3.151 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -13.830 -2.634 3.010 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -14.740 -1.592 1.935 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.846 -1.601 0.298 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -11.902 -2.605 1.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -12.853 -4.196 0.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -14.042 -4.113 1.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -14.277 -3.309 -0.206 1.00 0.00 H new ATOM 573 N ALA A 42 -14.126 2.943 3.630 1.00 0.00 N ATOM 574 CA ALA A 42 -14.206 4.098 2.689 1.00 0.00 C ATOM 575 C ALA A 42 -13.045 5.059 2.942 1.00 0.00 C ATOM 576 O ALA A 42 -12.388 5.504 2.023 1.00 0.00 O ATOM 577 CB ALA A 42 -15.529 4.840 2.922 1.00 0.00 C ATOM 0 H ALA A 42 -14.975 2.775 4.170 1.00 0.00 H new ATOM 0 HA ALA A 42 -14.153 3.732 1.664 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -15.597 5.686 2.238 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -16.363 4.161 2.743 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -15.568 5.200 3.950 1.00 0.00 H new ATOM 583 N HIS A 43 -12.801 5.384 4.179 1.00 0.00 N ATOM 584 CA HIS A 43 -11.694 6.321 4.514 1.00 0.00 C ATOM 585 C HIS A 43 -10.359 5.704 4.093 1.00 0.00 C ATOM 586 O HIS A 43 -9.490 6.376 3.579 1.00 0.00 O ATOM 587 CB HIS A 43 -11.685 6.573 6.027 1.00 0.00 C ATOM 588 CG HIS A 43 -10.632 7.597 6.359 1.00 0.00 C ATOM 589 ND1 HIS A 43 -9.327 7.242 6.664 1.00 0.00 N ATOM 590 CD2 HIS A 43 -10.673 8.968 6.430 1.00 0.00 C ATOM 591 CE1 HIS A 43 -8.645 8.375 6.903 1.00 0.00 C ATOM 592 NE2 HIS A 43 -9.418 9.456 6.774 1.00 0.00 N ATOM 0 H HIS A 43 -13.327 5.037 4.981 1.00 0.00 H new ATOM 0 HA HIS A 43 -11.840 7.264 3.986 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -12.664 6.923 6.354 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -11.485 5.644 6.560 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -11.547 9.575 6.246 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -7.598 8.407 7.167 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -9.146 10.431 6.901 1.00 0.00 H new ATOM 600 N LEU A 44 -10.199 4.428 4.319 1.00 0.00 N ATOM 601 CA LEU A 44 -8.930 3.738 3.950 1.00 0.00 C ATOM 602 C LEU A 44 -8.741 3.792 2.438 1.00 0.00 C ATOM 603 O LEU A 44 -7.648 3.981 1.950 1.00 0.00 O ATOM 604 CB LEU A 44 -9.003 2.270 4.396 1.00 0.00 C ATOM 605 CG LEU A 44 -9.033 2.193 5.931 1.00 0.00 C ATOM 606 CD1 LEU A 44 -9.226 0.734 6.371 1.00 0.00 C ATOM 607 CD2 LEU A 44 -7.711 2.736 6.512 1.00 0.00 C ATOM 0 H LEU A 44 -10.902 3.827 4.749 1.00 0.00 H new ATOM 0 HA LEU A 44 -8.092 4.233 4.441 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.894 1.798 3.982 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.144 1.720 4.012 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.861 2.797 6.301 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.247 0.682 7.460 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -10.167 0.355 5.971 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.402 0.128 5.995 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.741 2.678 7.600 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.878 2.140 6.139 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.579 3.774 6.208 1.00 0.00 H new ATOM 619 N GLU A 45 -9.802 3.617 1.703 1.00 0.00 N ATOM 620 CA GLU A 45 -9.711 3.648 0.216 1.00 0.00 C ATOM 621 C GLU A 45 -9.213 5.022 -0.230 1.00 0.00 C ATOM 622 O GLU A 45 -8.407 5.138 -1.130 1.00 0.00 O ATOM 623 CB GLU A 45 -11.105 3.396 -0.379 1.00 0.00 C ATOM 624 CG GLU A 45 -11.505 1.939 -0.140 1.00 0.00 C ATOM 625 CD GLU A 45 -12.934 1.701 -0.635 1.00 0.00 C ATOM 626 OE1 GLU A 45 -13.514 2.624 -1.182 1.00 0.00 O ATOM 627 OE2 GLU A 45 -13.425 0.598 -0.456 1.00 0.00 O ATOM 0 H GLU A 45 -10.739 3.452 2.072 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.019 2.879 -0.127 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.834 4.064 0.079 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -11.101 3.613 -1.447 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.816 1.274 -0.660 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.435 1.703 0.922 1.00 0.00 H new ATOM 634 N GLY A 46 -9.700 6.057 0.399 1.00 0.00 N ATOM 635 CA GLY A 46 -9.281 7.441 0.033 1.00 0.00 C ATOM 636 C GLY A 46 -7.777 7.597 0.251 1.00 0.00 C ATOM 637 O GLY A 46 -7.084 8.182 -0.554 1.00 0.00 O ATOM 0 H GLY A 46 -10.378 6.002 1.159 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -9.530 7.644 -1.009 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -9.823 8.168 0.638 1.00 0.00 H new ATOM 641 N LYS A 47 -7.276 7.080 1.340 1.00 0.00 N ATOM 642 CA LYS A 47 -5.817 7.192 1.631 1.00 0.00 C ATOM 643 C LYS A 47 -5.073 6.109 0.857 1.00 0.00 C ATOM 644 O LYS A 47 -3.887 6.206 0.626 1.00 0.00 O ATOM 645 CB LYS A 47 -5.585 6.993 3.136 1.00 0.00 C ATOM 646 CG LYS A 47 -6.352 8.055 3.935 1.00 0.00 C ATOM 647 CD LYS A 47 -5.598 9.390 3.893 1.00 0.00 C ATOM 648 CE LYS A 47 -6.336 10.420 4.744 1.00 0.00 C ATOM 649 NZ LYS A 47 -5.594 11.713 4.704 1.00 0.00 N ATOM 0 H LYS A 47 -7.818 6.581 2.046 1.00 0.00 H new ATOM 0 HA LYS A 47 -5.453 8.175 1.333 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.912 5.997 3.433 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.520 7.058 3.359 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -7.353 8.180 3.522 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -6.472 7.728 4.968 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.582 9.257 4.264 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.518 9.742 2.865 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -7.351 10.558 4.370 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -6.420 10.067 5.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.094 12.418 5.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.634 11.574 5.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.536 12.050 3.722 1.00 0.00 H new ATOM 663 N LEU A 48 -5.767 5.078 0.469 1.00 0.00 N ATOM 664 CA LEU A 48 -5.129 3.965 -0.287 1.00 0.00 C ATOM 665 C LEU A 48 -4.613 4.489 -1.627 1.00 0.00 C ATOM 666 O LEU A 48 -3.558 4.105 -2.091 1.00 0.00 O ATOM 667 CB LEU A 48 -6.172 2.862 -0.540 1.00 0.00 C ATOM 668 CG LEU A 48 -5.499 1.657 -1.215 1.00 0.00 C ATOM 669 CD1 LEU A 48 -4.476 1.021 -0.256 1.00 0.00 C ATOM 670 CD2 LEU A 48 -6.563 0.623 -1.591 1.00 0.00 C ATOM 0 H LEU A 48 -6.764 4.957 0.646 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.297 3.561 0.290 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.627 2.556 0.402 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.974 3.244 -1.172 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.983 1.992 -2.114 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.003 0.167 -0.742 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.715 1.757 0.005 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.984 0.688 0.649 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.086 -0.232 -2.070 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.083 0.292 -0.692 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.279 1.072 -2.279 1.00 0.00 H new ATOM 682 N ALA A 49 -5.373 5.342 -2.258 1.00 0.00 N ATOM 683 CA ALA A 49 -4.978 5.892 -3.587 1.00 0.00 C ATOM 684 C ALA A 49 -3.541 6.415 -3.529 1.00 0.00 C ATOM 685 O ALA A 49 -2.785 6.274 -4.465 1.00 0.00 O ATOM 686 CB ALA A 49 -5.920 7.048 -3.948 1.00 0.00 C ATOM 0 H ALA A 49 -6.265 5.687 -1.903 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.043 5.105 -4.338 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.639 7.457 -4.919 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.946 6.681 -3.992 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.846 7.828 -3.190 1.00 0.00 H new ATOM 692 N GLU A 50 -3.170 7.019 -2.436 1.00 0.00 N ATOM 693 CA GLU A 50 -1.788 7.560 -2.297 1.00 0.00 C ATOM 694 C GLU A 50 -0.786 6.409 -2.238 1.00 0.00 C ATOM 695 O GLU A 50 0.263 6.457 -2.846 1.00 0.00 O ATOM 696 CB GLU A 50 -1.692 8.372 -0.996 1.00 0.00 C ATOM 697 CG GLU A 50 -2.512 9.667 -1.121 1.00 0.00 C ATOM 698 CD GLU A 50 -3.993 9.385 -0.855 1.00 0.00 C ATOM 699 OE1 GLU A 50 -4.340 8.230 -0.693 1.00 0.00 O ATOM 700 OE2 GLU A 50 -4.756 10.336 -0.817 1.00 0.00 O ATOM 0 H GLU A 50 -3.771 7.163 -1.624 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.563 8.196 -3.153 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.060 7.778 -0.159 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -0.650 8.611 -0.783 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.143 10.409 -0.413 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.388 10.089 -2.118 1.00 0.00 H new ATOM 707 N TYR A 51 -1.106 5.386 -1.496 1.00 0.00 N ATOM 708 CA TYR A 51 -0.188 4.218 -1.361 1.00 0.00 C ATOM 709 C TYR A 51 -0.006 3.549 -2.724 1.00 0.00 C ATOM 710 O TYR A 51 1.094 3.215 -3.117 1.00 0.00 O ATOM 711 CB TYR A 51 -0.802 3.209 -0.377 1.00 0.00 C ATOM 712 CG TYR A 51 -0.576 3.674 1.047 1.00 0.00 C ATOM 713 CD1 TYR A 51 -1.099 4.902 1.479 1.00 0.00 C ATOM 714 CD2 TYR A 51 0.158 2.880 1.937 1.00 0.00 C ATOM 715 CE1 TYR A 51 -0.886 5.332 2.793 1.00 0.00 C ATOM 716 CE2 TYR A 51 0.368 3.310 3.251 1.00 0.00 C ATOM 717 CZ TYR A 51 -0.153 4.535 3.679 1.00 0.00 C ATOM 718 OH TYR A 51 0.054 4.955 4.975 1.00 0.00 O ATOM 0 H TYR A 51 -1.976 5.308 -0.970 1.00 0.00 H new ATOM 0 HA TYR A 51 0.781 4.554 -0.991 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.870 3.104 -0.569 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -0.354 2.226 -0.523 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.667 5.516 0.796 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.562 1.934 1.608 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -1.287 6.279 3.123 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.933 2.695 3.936 1.00 0.00 H new ATOM 0 HH TYR A 51 1.006 4.877 5.196 1.00 0.00 H new ATOM 728 N ILE A 52 -1.079 3.347 -3.436 1.00 0.00 N ATOM 729 CA ILE A 52 -0.992 2.696 -4.773 1.00 0.00 C ATOM 730 C ILE A 52 -0.205 3.599 -5.726 1.00 0.00 C ATOM 731 O ILE A 52 0.617 3.138 -6.492 1.00 0.00 O ATOM 732 CB ILE A 52 -2.407 2.467 -5.326 1.00 0.00 C ATOM 733 CG1 ILE A 52 -3.113 1.401 -4.480 1.00 0.00 C ATOM 734 CG2 ILE A 52 -2.318 1.989 -6.779 1.00 0.00 C ATOM 735 CD1 ILE A 52 -4.601 1.351 -4.840 1.00 0.00 C ATOM 0 H ILE A 52 -2.022 3.608 -3.146 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.483 1.736 -4.680 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.970 3.399 -5.286 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.656 0.427 -4.651 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.994 1.627 -3.420 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.322 1.827 -7.171 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.812 2.744 -7.380 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.757 1.056 -6.821 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.096 0.591 -4.235 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.055 2.323 -4.646 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.712 1.103 -5.896 1.00 0.00 H new ATOM 747 N SER A 53 -0.469 4.878 -5.687 1.00 0.00 N ATOM 748 CA SER A 53 0.236 5.834 -6.594 1.00 0.00 C ATOM 749 C SER A 53 1.744 5.728 -6.378 1.00 0.00 C ATOM 750 O SER A 53 2.514 5.751 -7.316 1.00 0.00 O ATOM 751 CB SER A 53 -0.216 7.263 -6.268 1.00 0.00 C ATOM 752 OG SER A 53 -1.623 7.362 -6.440 1.00 0.00 O ATOM 0 H SER A 53 -1.150 5.306 -5.060 1.00 0.00 H new ATOM 0 HA SER A 53 -0.002 5.594 -7.630 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.055 7.518 -5.243 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.292 7.975 -6.919 1.00 0.00 H new ATOM 0 HG SER A 53 -2.072 7.150 -5.595 1.00 0.00 H new ATOM 758 N LEU A 54 2.162 5.615 -5.149 1.00 0.00 N ATOM 759 CA LEU A 54 3.617 5.505 -4.844 1.00 0.00 C ATOM 760 C LEU A 54 4.167 4.224 -5.462 1.00 0.00 C ATOM 761 O LEU A 54 5.263 4.197 -5.985 1.00 0.00 O ATOM 762 CB LEU A 54 3.817 5.458 -3.324 1.00 0.00 C ATOM 763 CG LEU A 54 3.487 6.830 -2.721 1.00 0.00 C ATOM 764 CD1 LEU A 54 3.416 6.716 -1.194 1.00 0.00 C ATOM 765 CD2 LEU A 54 4.573 7.853 -3.114 1.00 0.00 C ATOM 0 H LEU A 54 1.551 5.594 -4.333 1.00 0.00 H new ATOM 0 HA LEU A 54 4.142 6.367 -5.256 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.176 4.693 -2.886 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.846 5.184 -3.090 1.00 0.00 H new ATOM 0 HG LEU A 54 2.524 7.167 -3.105 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.182 7.691 -0.767 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.639 6.003 -0.918 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.377 6.373 -0.810 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.331 8.824 -2.682 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.540 7.519 -2.738 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.616 7.939 -4.200 1.00 0.00 H new ATOM 777 N ALA A 55 3.412 3.164 -5.388 1.00 0.00 N ATOM 778 CA ALA A 55 3.871 1.865 -5.952 1.00 0.00 C ATOM 779 C ALA A 55 4.142 2.034 -7.449 1.00 0.00 C ATOM 780 O ALA A 55 5.121 1.543 -7.968 1.00 0.00 O ATOM 781 CB ALA A 55 2.768 0.814 -5.751 1.00 0.00 C ATOM 0 H ALA A 55 2.488 3.142 -4.957 1.00 0.00 H new ATOM 0 HA ALA A 55 4.783 1.544 -5.449 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.096 -0.141 -6.162 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.563 0.700 -4.686 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.861 1.136 -6.262 1.00 0.00 H new ATOM 787 N LYS A 56 3.270 2.726 -8.133 1.00 0.00 N ATOM 788 CA LYS A 56 3.442 2.948 -9.592 1.00 0.00 C ATOM 789 C LYS A 56 4.684 3.803 -9.838 1.00 0.00 C ATOM 790 O LYS A 56 5.437 3.569 -10.760 1.00 0.00 O ATOM 791 CB LYS A 56 2.204 3.675 -10.136 1.00 0.00 C ATOM 792 CG LYS A 56 2.315 3.800 -11.655 1.00 0.00 C ATOM 793 CD LYS A 56 1.051 4.465 -12.213 1.00 0.00 C ATOM 794 CE LYS A 56 1.146 4.585 -13.740 1.00 0.00 C ATOM 795 NZ LYS A 56 1.219 3.227 -14.351 1.00 0.00 N ATOM 0 H LYS A 56 2.434 3.152 -7.733 1.00 0.00 H new ATOM 0 HA LYS A 56 3.560 1.990 -10.098 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.300 3.126 -9.870 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.121 4.663 -9.684 1.00 0.00 H new ATOM 0 HG2 LYS A 56 3.194 4.389 -11.918 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.447 2.815 -12.102 1.00 0.00 H new ATOM 0 HD2 LYS A 56 0.173 3.880 -11.941 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.925 5.453 -11.770 1.00 0.00 H new ATOM 0 HE2 LYS A 56 0.279 5.121 -14.126 1.00 0.00 H new ATOM 0 HE3 LYS A 56 2.027 5.165 -14.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 0.979 3.287 -15.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.183 2.851 -14.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 0.546 2.594 -13.872 1.00 0.00 H new ATOM 809 N GLN A 57 4.886 4.803 -9.022 1.00 0.00 N ATOM 810 CA GLN A 57 6.062 5.703 -9.192 1.00 0.00 C ATOM 811 C GLN A 57 7.352 4.907 -8.981 1.00 0.00 C ATOM 812 O GLN A 57 8.305 5.047 -9.720 1.00 0.00 O ATOM 813 CB GLN A 57 5.988 6.835 -8.154 1.00 0.00 C ATOM 814 CG GLN A 57 7.184 7.775 -8.337 1.00 0.00 C ATOM 815 CD GLN A 57 7.029 9.007 -7.437 1.00 0.00 C ATOM 816 OE1 GLN A 57 7.861 9.259 -6.590 1.00 0.00 O ATOM 817 NE2 GLN A 57 5.996 9.791 -7.589 1.00 0.00 N ATOM 0 H GLN A 57 4.279 5.036 -8.236 1.00 0.00 H new ATOM 0 HA GLN A 57 6.056 6.124 -10.198 1.00 0.00 H new ATOM 0 HB2 GLN A 57 5.056 7.388 -8.269 1.00 0.00 H new ATOM 0 HB3 GLN A 57 5.989 6.419 -7.146 1.00 0.00 H new ATOM 0 HG2 GLN A 57 8.108 7.251 -8.094 1.00 0.00 H new ATOM 0 HG3 GLN A 57 7.258 8.084 -9.380 1.00 0.00 H new ATOM 0 HE21 GLN A 57 5.296 9.580 -8.300 1.00 0.00 H new ATOM 0 HE22 GLN A 57 5.889 10.614 -6.996 1.00 0.00 H new ATOM 826 N VAL A 58 7.378 4.080 -7.971 1.00 0.00 N ATOM 827 CA VAL A 58 8.591 3.265 -7.679 1.00 0.00 C ATOM 828 C VAL A 58 8.830 2.276 -8.820 1.00 0.00 C ATOM 829 O VAL A 58 9.941 2.104 -9.276 1.00 0.00 O ATOM 830 CB VAL A 58 8.379 2.490 -6.371 1.00 0.00 C ATOM 831 CG1 VAL A 58 9.546 1.524 -6.152 1.00 0.00 C ATOM 832 CG2 VAL A 58 8.307 3.476 -5.203 1.00 0.00 C ATOM 0 H VAL A 58 6.600 3.933 -7.328 1.00 0.00 H new ATOM 0 HA VAL A 58 9.455 3.922 -7.581 1.00 0.00 H new ATOM 0 HB VAL A 58 7.449 1.925 -6.430 1.00 0.00 H new ATOM 0 HG11 VAL A 58 9.394 0.975 -5.223 1.00 0.00 H new ATOM 0 HG12 VAL A 58 9.598 0.822 -6.984 1.00 0.00 H new ATOM 0 HG13 VAL A 58 10.478 2.087 -6.093 1.00 0.00 H new ATOM 0 HG21 VAL A 58 8.156 2.928 -4.273 1.00 0.00 H new ATOM 0 HG22 VAL A 58 9.238 4.040 -5.145 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.475 4.163 -5.358 1.00 0.00 H new ATOM 842 N TYR A 59 7.791 1.622 -9.272 1.00 0.00 N ATOM 843 CA TYR A 59 7.931 0.626 -10.382 1.00 0.00 C ATOM 844 C TYR A 59 6.937 0.956 -11.496 1.00 0.00 C ATOM 845 O TYR A 59 5.772 1.207 -11.261 1.00 0.00 O ATOM 846 CB TYR A 59 7.667 -0.778 -9.839 1.00 0.00 C ATOM 847 CG TYR A 59 7.944 -1.799 -10.921 1.00 0.00 C ATOM 848 CD1 TYR A 59 9.249 -1.974 -11.398 1.00 0.00 C ATOM 849 CD2 TYR A 59 6.900 -2.572 -11.445 1.00 0.00 C ATOM 850 CE1 TYR A 59 9.509 -2.919 -12.397 1.00 0.00 C ATOM 851 CE2 TYR A 59 7.160 -3.518 -12.441 1.00 0.00 C ATOM 852 CZ TYR A 59 8.464 -3.693 -12.918 1.00 0.00 C ATOM 853 OH TYR A 59 8.722 -4.628 -13.899 1.00 0.00 O ATOM 0 H TYR A 59 6.841 1.735 -8.917 1.00 0.00 H new ATOM 0 HA TYR A 59 8.942 0.668 -10.788 1.00 0.00 H new ATOM 0 HB2 TYR A 59 8.301 -0.969 -8.973 1.00 0.00 H new ATOM 0 HB3 TYR A 59 6.634 -0.861 -9.502 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.055 -1.379 -10.995 1.00 0.00 H new ATOM 0 HD2 TYR A 59 5.893 -2.437 -11.079 1.00 0.00 H new ATOM 0 HE1 TYR A 59 10.515 -3.052 -12.766 1.00 0.00 H new ATOM 0 HE2 TYR A 59 6.354 -4.114 -12.843 1.00 0.00 H new ATOM 0 HH TYR A 59 9.649 -4.936 -13.822 1.00 0.00 H new ATOM 863 N ALA A 60 7.417 0.968 -12.709 1.00 0.00 N ATOM 864 CA ALA A 60 6.554 1.291 -13.881 1.00 0.00 C ATOM 865 C ALA A 60 5.197 0.605 -13.758 1.00 0.00 C ATOM 866 O ALA A 60 4.295 1.101 -13.119 1.00 0.00 O ATOM 867 CB ALA A 60 7.241 0.804 -15.161 1.00 0.00 C ATOM 0 H ALA A 60 8.389 0.764 -12.942 1.00 0.00 H new ATOM 0 HA ALA A 60 6.403 2.370 -13.915 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.614 1.038 -16.022 1.00 0.00 H new ATOM 0 HB2 ALA A 60 8.205 1.301 -15.268 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.393 -0.274 -15.105 1.00 0.00 H new ATOM 873 N ASN A 61 5.049 -0.526 -14.395 1.00 0.00 N ATOM 874 CA ASN A 61 3.751 -1.258 -14.359 1.00 0.00 C ATOM 875 C ASN A 61 3.685 -2.136 -13.111 1.00 0.00 C ATOM 876 O ASN A 61 4.127 -3.266 -13.102 1.00 0.00 O ATOM 877 CB ASN A 61 3.627 -2.119 -15.620 1.00 0.00 C ATOM 878 CG ASN A 61 2.259 -2.805 -15.644 1.00 0.00 C ATOM 879 OD1 ASN A 61 2.169 -4.010 -15.527 1.00 0.00 O ATOM 880 ND2 ASN A 61 1.184 -2.082 -15.793 1.00 0.00 N ATOM 0 H ASN A 61 5.780 -0.978 -14.944 1.00 0.00 H new ATOM 0 HA ASN A 61 2.927 -0.545 -14.326 1.00 0.00 H new ATOM 0 HB2 ASN A 61 3.750 -1.500 -16.508 1.00 0.00 H new ATOM 0 HB3 ASN A 61 4.420 -2.867 -15.641 1.00 0.00 H new ATOM 0 HD21 ASN A 61 0.267 -2.529 -15.811 1.00 0.00 H new ATOM 0 HD22 ASN A 61 1.260 -1.070 -15.891 1.00 0.00 H new ATOM 887 N VAL A 62 3.129 -1.600 -12.057 1.00 0.00 N ATOM 888 CA VAL A 62 3.008 -2.363 -10.779 1.00 0.00 C ATOM 889 C VAL A 62 1.604 -2.937 -10.645 1.00 0.00 C ATOM 890 O VAL A 62 0.615 -2.268 -10.868 1.00 0.00 O ATOM 891 CB VAL A 62 3.305 -1.437 -9.594 1.00 0.00 C ATOM 892 CG1 VAL A 62 2.211 -0.369 -9.464 1.00 0.00 C ATOM 893 CG2 VAL A 62 3.359 -2.269 -8.310 1.00 0.00 C ATOM 0 H VAL A 62 2.749 -0.654 -12.027 1.00 0.00 H new ATOM 0 HA VAL A 62 3.727 -3.182 -10.785 1.00 0.00 H new ATOM 0 HB VAL A 62 4.262 -0.941 -9.759 1.00 0.00 H new ATOM 0 HG11 VAL A 62 2.436 0.281 -8.618 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.172 0.225 -10.377 1.00 0.00 H new ATOM 0 HG13 VAL A 62 1.247 -0.853 -9.304 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.570 -1.617 -7.462 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.400 -2.764 -8.157 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.145 -3.019 -8.395 1.00 0.00 H new ATOM 903 N GLU A 63 1.525 -4.188 -10.280 1.00 0.00 N ATOM 904 CA GLU A 63 0.205 -4.859 -10.115 1.00 0.00 C ATOM 905 C GLU A 63 -0.099 -5.013 -8.630 1.00 0.00 C ATOM 906 O GLU A 63 0.776 -5.248 -7.820 1.00 0.00 O ATOM 907 CB GLU A 63 0.241 -6.241 -10.776 1.00 0.00 C ATOM 908 CG GLU A 63 -1.146 -6.880 -10.664 1.00 0.00 C ATOM 909 CD GLU A 63 -1.163 -8.230 -11.383 1.00 0.00 C ATOM 910 OE1 GLU A 63 -0.245 -8.488 -12.144 1.00 0.00 O ATOM 911 OE2 GLU A 63 -2.097 -8.982 -11.160 1.00 0.00 O ATOM 0 H GLU A 63 2.332 -4.781 -10.087 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.570 -4.256 -10.587 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.531 -6.151 -11.823 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.987 -6.871 -10.292 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.409 -7.015 -9.615 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.896 -6.219 -11.098 1.00 0.00 H new ATOM 918 N TYR A 64 -1.345 -4.871 -8.277 1.00 0.00 N ATOM 919 CA TYR A 64 -1.747 -4.993 -6.850 1.00 0.00 C ATOM 920 C TYR A 64 -3.191 -5.475 -6.741 1.00 0.00 C ATOM 921 O TYR A 64 -3.970 -5.390 -7.671 1.00 0.00 O ATOM 922 CB TYR A 64 -1.609 -3.633 -6.162 1.00 0.00 C ATOM 923 CG TYR A 64 -2.460 -2.600 -6.867 1.00 0.00 C ATOM 924 CD1 TYR A 64 -1.925 -1.856 -7.925 1.00 0.00 C ATOM 925 CD2 TYR A 64 -3.783 -2.380 -6.457 1.00 0.00 C ATOM 926 CE1 TYR A 64 -2.710 -0.894 -8.575 1.00 0.00 C ATOM 927 CE2 TYR A 64 -4.567 -1.418 -7.108 1.00 0.00 C ATOM 928 CZ TYR A 64 -4.031 -0.677 -8.166 1.00 0.00 C ATOM 929 OH TYR A 64 -4.804 0.271 -8.806 1.00 0.00 O ATOM 0 H TYR A 64 -2.109 -4.674 -8.923 1.00 0.00 H new ATOM 0 HA TYR A 64 -1.097 -5.720 -6.363 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -1.913 -3.713 -5.118 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -0.565 -3.319 -6.167 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -0.906 -2.023 -8.241 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.197 -2.952 -5.640 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -2.296 -0.320 -9.391 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -5.586 -1.249 -6.792 1.00 0.00 H new ATOM 0 HH TYR A 64 -5.696 0.294 -8.400 1.00 0.00 H new ATOM 939 N GLU A 65 -3.541 -5.982 -5.589 1.00 0.00 N ATOM 940 CA GLU A 65 -4.925 -6.484 -5.357 1.00 0.00 C ATOM 941 C GLU A 65 -5.310 -6.248 -3.899 1.00 0.00 C ATOM 942 O GLU A 65 -4.490 -6.303 -3.005 1.00 0.00 O ATOM 943 CB GLU A 65 -4.984 -7.981 -5.667 1.00 0.00 C ATOM 944 CG GLU A 65 -6.440 -8.459 -5.605 1.00 0.00 C ATOM 945 CD GLU A 65 -7.222 -7.870 -6.781 1.00 0.00 C ATOM 946 OE1 GLU A 65 -6.600 -7.266 -7.642 1.00 0.00 O ATOM 947 OE2 GLU A 65 -8.429 -8.032 -6.801 1.00 0.00 O ATOM 0 H GLU A 65 -2.916 -6.070 -4.788 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.620 -5.953 -6.008 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.568 -8.175 -6.656 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -4.377 -8.536 -4.951 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.478 -9.548 -5.638 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.894 -8.153 -4.663 1.00 0.00 H new ATOM 954 N VAL A 66 -6.569 -5.988 -3.664 1.00 0.00 N ATOM 955 CA VAL A 66 -7.057 -5.739 -2.275 1.00 0.00 C ATOM 956 C VAL A 66 -7.770 -6.979 -1.744 1.00 0.00 C ATOM 957 O VAL A 66 -8.693 -7.495 -2.344 1.00 0.00 O ATOM 958 CB VAL A 66 -8.031 -4.554 -2.285 1.00 0.00 C ATOM 959 CG1 VAL A 66 -8.575 -4.332 -0.872 1.00 0.00 C ATOM 960 CG2 VAL A 66 -7.294 -3.292 -2.747 1.00 0.00 C ATOM 0 H VAL A 66 -7.289 -5.937 -4.385 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.208 -5.512 -1.630 1.00 0.00 H new ATOM 0 HB VAL A 66 -8.855 -4.766 -2.966 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -9.267 -3.490 -0.877 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -9.096 -5.229 -0.538 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.749 -4.118 -0.194 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -7.985 -2.449 -2.755 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.471 -3.081 -2.064 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -6.901 -3.448 -3.752 1.00 0.00 H new ATOM 970 N ALA A 67 -7.329 -7.454 -0.613 1.00 0.00 N ATOM 971 CA ALA A 67 -7.940 -8.660 -0.002 1.00 0.00 C ATOM 972 C ALA A 67 -9.273 -8.292 0.661 1.00 0.00 C ATOM 973 O ALA A 67 -9.610 -7.131 0.798 1.00 0.00 O ATOM 974 CB ALA A 67 -6.973 -9.254 1.047 1.00 0.00 C ATOM 0 H ALA A 67 -6.559 -7.049 -0.080 1.00 0.00 H new ATOM 0 HA ALA A 67 -8.127 -9.402 -0.778 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.422 -10.140 1.496 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.035 -9.528 0.563 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.778 -8.514 1.823 1.00 0.00 H new ATOM 980 N PRO A 68 -10.013 -9.287 1.085 1.00 0.00 N ATOM 981 CA PRO A 68 -11.338 -9.090 1.750 1.00 0.00 C ATOM 982 C PRO A 68 -11.269 -8.151 2.959 1.00 0.00 C ATOM 983 O PRO A 68 -10.366 -8.223 3.769 1.00 0.00 O ATOM 984 CB PRO A 68 -11.734 -10.513 2.188 1.00 0.00 C ATOM 985 CG PRO A 68 -10.987 -11.419 1.268 1.00 0.00 C ATOM 986 CD PRO A 68 -9.673 -10.717 0.968 1.00 0.00 C ATOM 0 HA PRO A 68 -12.057 -8.618 1.080 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -11.464 -10.696 3.228 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -12.810 -10.667 2.106 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -10.814 -12.390 1.732 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -11.552 -11.599 0.353 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -8.894 -11.004 1.675 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -9.305 -10.962 -0.028 1.00 0.00 H new ATOM 994 N VAL A 69 -12.235 -7.274 3.072 1.00 0.00 N ATOM 995 CA VAL A 69 -12.269 -6.307 4.215 1.00 0.00 C ATOM 996 C VAL A 69 -13.638 -6.354 4.904 1.00 0.00 C ATOM 997 O VAL A 69 -14.676 -6.301 4.273 1.00 0.00 O ATOM 998 CB VAL A 69 -12.006 -4.893 3.688 1.00 0.00 C ATOM 999 CG1 VAL A 69 -12.209 -3.884 4.818 1.00 0.00 C ATOM 1000 CG2 VAL A 69 -10.569 -4.798 3.170 1.00 0.00 C ATOM 0 H VAL A 69 -13.010 -7.185 2.415 1.00 0.00 H new ATOM 0 HA VAL A 69 -11.501 -6.578 4.939 1.00 0.00 H new ATOM 0 HB VAL A 69 -12.698 -4.674 2.875 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -12.022 -2.877 4.445 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -13.233 -3.951 5.186 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -11.517 -4.104 5.631 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -10.383 -3.791 2.795 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -9.875 -5.017 3.981 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -10.424 -5.518 2.364 1.00 0.00 H new ATOM 1010 N ALA A 70 -13.624 -6.448 6.206 1.00 0.00 N ATOM 1011 CA ALA A 70 -14.890 -6.498 6.992 1.00 0.00 C ATOM 1012 C ALA A 70 -15.525 -5.108 7.048 1.00 0.00 C ATOM 1013 O ALA A 70 -16.126 -4.743 8.029 1.00 0.00 O ATOM 1014 CB ALA A 70 -14.581 -6.987 8.413 1.00 0.00 C ATOM 0 H ALA A 70 -12.774 -6.493 6.768 1.00 0.00 H new ATOM 0 HA ALA A 70 -15.589 -7.184 6.513 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -15.503 -7.026 8.993 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -14.139 -7.982 8.367 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -13.881 -6.301 8.890 1.00 0.00 H new ATOM 1020 N ASP A 71 -15.384 -4.348 6.000 1.00 0.00 N ATOM 1021 CA ASP A 71 -15.968 -2.975 5.942 1.00 0.00 C ATOM 1022 C ASP A 71 -15.489 -2.154 7.136 1.00 0.00 C ATOM 1023 O ASP A 71 -14.676 -1.262 7.006 1.00 0.00 O ATOM 1024 CB ASP A 71 -17.495 -3.077 5.976 1.00 0.00 C ATOM 1025 CG ASP A 71 -18.107 -1.691 5.762 1.00 0.00 C ATOM 1026 OD1 ASP A 71 -17.355 -0.731 5.721 1.00 0.00 O ATOM 1027 OD2 ASP A 71 -19.319 -1.614 5.641 1.00 0.00 O ATOM 0 H ASP A 71 -14.877 -4.626 5.160 1.00 0.00 H new ATOM 0 HA ASP A 71 -15.649 -2.486 5.022 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -17.841 -3.762 5.202 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -17.821 -3.486 6.932 1.00 0.00 H new ATOM 1032 N ASN A 72 -15.994 -2.460 8.295 1.00 0.00 N ATOM 1033 CA ASN A 72 -15.596 -1.725 9.524 1.00 0.00 C ATOM 1034 C ASN A 72 -14.313 -2.349 10.072 1.00 0.00 C ATOM 1035 O ASN A 72 -13.908 -2.083 11.185 1.00 0.00 O ATOM 1036 CB ASN A 72 -16.719 -1.837 10.559 1.00 0.00 C ATOM 1037 CG ASN A 72 -16.410 -0.927 11.752 1.00 0.00 C ATOM 1038 OD1 ASN A 72 -15.826 0.126 11.592 1.00 0.00 O ATOM 1039 ND2 ASN A 72 -16.785 -1.288 12.949 1.00 0.00 N ATOM 0 H ASN A 72 -16.678 -3.202 8.445 1.00 0.00 H new ATOM 0 HA ASN A 72 -15.422 -0.673 9.300 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -17.671 -1.554 10.110 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -16.818 -2.870 10.893 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -16.588 -0.686 13.748 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -17.276 -2.172 13.085 1.00 0.00 H new ATOM 1046 N ALA A 73 -13.680 -3.181 9.287 1.00 0.00 N ATOM 1047 CA ALA A 73 -12.413 -3.846 9.727 1.00 0.00 C ATOM 1048 C ALA A 73 -11.426 -2.787 10.224 1.00 0.00 C ATOM 1049 O ALA A 73 -10.370 -3.101 10.732 1.00 0.00 O ATOM 1050 CB ALA A 73 -11.804 -4.602 8.532 1.00 0.00 C ATOM 0 H ALA A 73 -13.989 -3.432 8.348 1.00 0.00 H new ATOM 0 HA ALA A 73 -12.624 -4.546 10.536 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -10.880 -5.090 8.843 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.510 -5.353 8.179 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -11.590 -3.899 7.727 1.00 0.00 H new ATOM 1056 N THR A 74 -11.774 -1.541 10.064 1.00 0.00 N ATOM 1057 CA THR A 74 -10.890 -0.430 10.505 1.00 0.00 C ATOM 1058 C THR A 74 -9.494 -0.646 9.944 1.00 0.00 C ATOM 1059 O THR A 74 -8.550 0.016 10.322 1.00 0.00 O ATOM 1060 CB THR A 74 -10.855 -0.391 12.034 1.00 0.00 C ATOM 1061 OG1 THR A 74 -10.265 -1.588 12.522 1.00 0.00 O ATOM 1062 CG2 THR A 74 -12.288 -0.264 12.588 1.00 0.00 C ATOM 0 H THR A 74 -12.651 -1.242 9.638 1.00 0.00 H new ATOM 0 HA THR A 74 -11.272 0.522 10.137 1.00 0.00 H new ATOM 0 HB THR A 74 -10.268 0.468 12.358 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.803 -2.047 11.790 1.00 0.00 H new ATOM 0 HG21 THR A 74 -12.256 -0.237 13.677 1.00 0.00 H new ATOM 0 HG22 THR A 74 -12.742 0.654 12.215 1.00 0.00 H new ATOM 0 HG23 THR A 74 -12.881 -1.119 12.264 1.00 0.00 H new ATOM 1070 N GLU A 75 -9.373 -1.568 9.032 1.00 0.00 N ATOM 1071 CA GLU A 75 -8.055 -1.858 8.407 1.00 0.00 C ATOM 1072 C GLU A 75 -8.267 -2.343 6.977 1.00 0.00 C ATOM 1073 O GLU A 75 -9.283 -2.919 6.643 1.00 0.00 O ATOM 1074 CB GLU A 75 -7.328 -2.939 9.210 1.00 0.00 C ATOM 1075 CG GLU A 75 -5.947 -3.186 8.591 1.00 0.00 C ATOM 1076 CD GLU A 75 -5.172 -4.202 9.435 1.00 0.00 C ATOM 1077 OE1 GLU A 75 -5.787 -4.843 10.270 1.00 0.00 O ATOM 1078 OE2 GLU A 75 -3.976 -4.317 9.230 1.00 0.00 O ATOM 0 H GLU A 75 -10.144 -2.141 8.688 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.453 -0.950 8.399 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.223 -2.628 10.249 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.909 -3.861 9.210 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -6.057 -3.555 7.571 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.392 -2.250 8.533 1.00 0.00 H new ATOM 1085 N LEU A 76 -7.299 -2.108 6.132 1.00 0.00 N ATOM 1086 CA LEU A 76 -7.399 -2.541 4.711 1.00 0.00 C ATOM 1087 C LEU A 76 -6.158 -3.334 4.325 1.00 0.00 C ATOM 1088 O LEU A 76 -5.038 -2.925 4.560 1.00 0.00 O ATOM 1089 CB LEU A 76 -7.533 -1.307 3.814 1.00 0.00 C ATOM 1090 CG LEU A 76 -7.768 -1.749 2.345 1.00 0.00 C ATOM 1091 CD1 LEU A 76 -8.793 -0.822 1.685 1.00 0.00 C ATOM 1092 CD2 LEU A 76 -6.450 -1.683 1.560 1.00 0.00 C ATOM 0 H LEU A 76 -6.432 -1.627 6.371 1.00 0.00 H new ATOM 0 HA LEU A 76 -8.276 -3.176 4.584 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -8.362 -0.687 4.154 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.632 -0.698 3.881 1.00 0.00 H new ATOM 0 HG LEU A 76 -8.142 -2.773 2.340 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -8.956 -1.135 0.654 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -9.734 -0.872 2.232 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -8.419 0.202 1.699 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.624 -1.995 0.530 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -6.071 -0.661 1.571 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.718 -2.346 2.021 1.00 0.00 H new ATOM 1104 N HIS A 77 -6.363 -4.475 3.723 1.00 0.00 N ATOM 1105 CA HIS A 77 -5.221 -5.340 3.297 1.00 0.00 C ATOM 1106 C HIS A 77 -4.986 -5.189 1.800 1.00 0.00 C ATOM 1107 O HIS A 77 -5.886 -5.308 0.994 1.00 0.00 O ATOM 1108 CB HIS A 77 -5.540 -6.802 3.619 1.00 0.00 C ATOM 1109 CG HIS A 77 -5.652 -6.978 5.111 1.00 0.00 C ATOM 1110 ND1 HIS A 77 -4.539 -7.003 5.938 1.00 0.00 N ATOM 1111 CD2 HIS A 77 -6.736 -7.137 5.937 1.00 0.00 C ATOM 1112 CE1 HIS A 77 -4.975 -7.171 7.200 1.00 0.00 C ATOM 1113 NE2 HIS A 77 -6.307 -7.258 7.256 1.00 0.00 N ATOM 0 H HIS A 77 -7.286 -4.851 3.505 1.00 0.00 H new ATOM 0 HA HIS A 77 -4.322 -5.035 3.833 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -6.472 -7.096 3.137 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -4.758 -7.451 3.224 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -7.766 -7.164 5.613 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -4.327 -7.228 8.062 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -6.885 -7.386 8.086 1.00 0.00 H new ATOM 1121 N ALA A 78 -3.761 -4.925 1.435 1.00 0.00 N ATOM 1122 CA ALA A 78 -3.406 -4.755 -0.003 1.00 0.00 C ATOM 1123 C ALA A 78 -2.113 -5.497 -0.308 1.00 0.00 C ATOM 1124 O ALA A 78 -1.274 -5.695 0.548 1.00 0.00 O ATOM 1125 CB ALA A 78 -3.219 -3.272 -0.314 1.00 0.00 C ATOM 0 H ALA A 78 -2.980 -4.818 2.082 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.210 -5.160 -0.617 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.960 -3.151 -1.366 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -4.145 -2.737 -0.105 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.419 -2.868 0.306 1.00 0.00 H new ATOM 1131 N ARG A 79 -1.962 -5.920 -1.535 1.00 0.00 N ATOM 1132 CA ARG A 79 -0.740 -6.675 -1.945 1.00 0.00 C ATOM 1133 C ARG A 79 -0.127 -6.022 -3.173 1.00 0.00 C ATOM 1134 O ARG A 79 -0.812 -5.509 -4.032 1.00 0.00 O ATOM 1135 CB ARG A 79 -1.127 -8.121 -2.266 1.00 0.00 C ATOM 1136 CG ARG A 79 -1.902 -8.727 -1.087 1.00 0.00 C ATOM 1137 CD ARG A 79 -0.946 -9.039 0.067 1.00 0.00 C ATOM 1138 NE ARG A 79 0.150 -9.922 -0.419 1.00 0.00 N ATOM 1139 CZ ARG A 79 -0.025 -11.216 -0.516 1.00 0.00 C ATOM 1140 NH1 ARG A 79 -1.173 -11.761 -0.205 1.00 0.00 N ATOM 1141 NH2 ARG A 79 0.958 -11.968 -0.930 1.00 0.00 N ATOM 0 H ARG A 79 -2.642 -5.773 -2.281 1.00 0.00 H new ATOM 0 HA ARG A 79 -0.012 -6.665 -1.134 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -1.738 -8.152 -3.168 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -0.232 -8.711 -2.466 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -2.673 -8.032 -0.753 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -2.410 -9.638 -1.405 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -0.531 -8.115 0.469 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -1.486 -9.526 0.879 1.00 0.00 H new ATOM 0 HE ARG A 79 1.048 -9.514 -0.679 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -1.944 -11.177 0.117 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -1.297 -12.770 -0.285 1.00 0.00 H new ATOM 0 HH21 ARG A 79 1.854 -11.547 -1.175 1.00 0.00 H new ATOM 0 HH22 ARG A 79 0.830 -12.977 -1.008 1.00 0.00 H new ATOM 1155 N PHE A 80 1.176 -6.036 -3.240 1.00 0.00 N ATOM 1156 CA PHE A 80 1.897 -5.414 -4.391 1.00 0.00 C ATOM 1157 C PHE A 80 2.925 -6.392 -4.946 1.00 0.00 C ATOM 1158 O PHE A 80 3.450 -7.227 -4.243 1.00 0.00 O ATOM 1159 CB PHE A 80 2.599 -4.141 -3.920 1.00 0.00 C ATOM 1160 CG PHE A 80 1.567 -3.076 -3.644 1.00 0.00 C ATOM 1161 CD1 PHE A 80 0.960 -2.996 -2.384 1.00 0.00 C ATOM 1162 CD2 PHE A 80 1.213 -2.170 -4.650 1.00 0.00 C ATOM 1163 CE1 PHE A 80 0.001 -2.008 -2.131 1.00 0.00 C ATOM 1164 CE2 PHE A 80 0.255 -1.182 -4.396 1.00 0.00 C ATOM 1165 CZ PHE A 80 -0.351 -1.101 -3.137 1.00 0.00 C ATOM 0 H PHE A 80 1.782 -6.458 -2.536 1.00 0.00 H new ATOM 0 HA PHE A 80 1.182 -5.167 -5.175 1.00 0.00 H new ATOM 0 HB2 PHE A 80 3.179 -4.344 -3.020 1.00 0.00 H new ATOM 0 HB3 PHE A 80 3.300 -3.796 -4.680 1.00 0.00 H new ATOM 0 HD1 PHE A 80 1.232 -3.696 -1.608 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.679 -2.233 -5.622 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -0.467 -1.946 -1.160 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -0.017 -0.482 -5.172 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.090 -0.338 -2.942 1.00 0.00 H new ATOM 1175 N LYS A 81 3.199 -6.285 -6.216 1.00 0.00 N ATOM 1176 CA LYS A 81 4.183 -7.195 -6.878 1.00 0.00 C ATOM 1177 C LYS A 81 5.390 -6.398 -7.359 1.00 0.00 C ATOM 1178 O LYS A 81 5.267 -5.411 -8.055 1.00 0.00 O ATOM 1179 CB LYS A 81 3.502 -7.880 -8.065 1.00 0.00 C ATOM 1180 CG LYS A 81 4.492 -8.832 -8.741 1.00 0.00 C ATOM 1181 CD LYS A 81 3.788 -9.593 -9.865 1.00 0.00 C ATOM 1182 CE LYS A 81 4.772 -10.567 -10.519 1.00 0.00 C ATOM 1183 NZ LYS A 81 5.937 -9.811 -11.065 1.00 0.00 N ATOM 0 H LYS A 81 2.777 -5.594 -6.836 1.00 0.00 H new ATOM 0 HA LYS A 81 4.525 -7.946 -6.166 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.625 -8.431 -7.726 1.00 0.00 H new ATOM 0 HB3 LYS A 81 3.154 -7.133 -8.779 1.00 0.00 H new ATOM 0 HG2 LYS A 81 5.336 -8.270 -9.142 1.00 0.00 H new ATOM 0 HG3 LYS A 81 4.894 -9.533 -8.010 1.00 0.00 H new ATOM 0 HD2 LYS A 81 2.931 -10.137 -9.468 1.00 0.00 H new ATOM 0 HD3 LYS A 81 3.405 -8.893 -10.608 1.00 0.00 H new ATOM 0 HE2 LYS A 81 5.112 -11.301 -9.789 1.00 0.00 H new ATOM 0 HE3 LYS A 81 4.277 -11.118 -11.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 6.430 -10.395 -11.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 5.602 -8.935 -11.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 6.591 -9.576 -10.292 1.00 0.00 H new ATOM 1197 N PHE A 82 6.562 -6.841 -6.984 1.00 0.00 N ATOM 1198 CA PHE A 82 7.822 -6.150 -7.400 1.00 0.00 C ATOM 1199 C PHE A 82 8.800 -7.164 -7.994 1.00 0.00 C ATOM 1200 O PHE A 82 8.886 -8.298 -7.563 1.00 0.00 O ATOM 1201 CB PHE A 82 8.455 -5.468 -6.185 1.00 0.00 C ATOM 1202 CG PHE A 82 7.534 -4.377 -5.688 1.00 0.00 C ATOM 1203 CD1 PHE A 82 7.398 -3.191 -6.420 1.00 0.00 C ATOM 1204 CD2 PHE A 82 6.815 -4.552 -4.499 1.00 0.00 C ATOM 1205 CE1 PHE A 82 6.544 -2.181 -5.962 1.00 0.00 C ATOM 1206 CE2 PHE A 82 5.961 -3.541 -4.042 1.00 0.00 C ATOM 1207 CZ PHE A 82 5.826 -2.356 -4.773 1.00 0.00 C ATOM 0 H PHE A 82 6.703 -7.664 -6.399 1.00 0.00 H new ATOM 0 HA PHE A 82 7.589 -5.399 -8.155 1.00 0.00 H new ATOM 0 HB2 PHE A 82 8.632 -6.198 -5.395 1.00 0.00 H new ATOM 0 HB3 PHE A 82 9.424 -5.047 -6.454 1.00 0.00 H new ATOM 0 HD1 PHE A 82 7.952 -3.056 -7.337 1.00 0.00 H new ATOM 0 HD2 PHE A 82 6.919 -5.467 -3.935 1.00 0.00 H new ATOM 0 HE1 PHE A 82 6.439 -1.266 -6.526 1.00 0.00 H new ATOM 0 HE2 PHE A 82 5.406 -3.676 -3.125 1.00 0.00 H new ATOM 0 HZ PHE A 82 5.168 -1.576 -4.420 1.00 0.00 H new ATOM 1217 N GLU A 83 9.528 -6.745 -8.989 1.00 0.00 N ATOM 1218 CA GLU A 83 10.513 -7.638 -9.659 1.00 0.00 C ATOM 1219 C GLU A 83 11.674 -7.919 -8.709 1.00 0.00 C ATOM 1220 O GLU A 83 12.243 -8.990 -8.717 1.00 0.00 O ATOM 1221 CB GLU A 83 11.040 -6.954 -10.931 1.00 0.00 C ATOM 1222 CG GLU A 83 11.366 -5.480 -10.639 1.00 0.00 C ATOM 1223 CD GLU A 83 12.120 -4.862 -11.825 1.00 0.00 C ATOM 1224 OE1 GLU A 83 11.779 -5.178 -12.954 1.00 0.00 O ATOM 1225 OE2 GLU A 83 13.019 -4.072 -11.581 1.00 0.00 O ATOM 0 H GLU A 83 9.481 -5.802 -9.374 1.00 0.00 H new ATOM 0 HA GLU A 83 10.030 -8.578 -9.927 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.932 -7.469 -11.287 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.296 -7.020 -11.724 1.00 0.00 H new ATOM 0 HG2 GLU A 83 10.446 -4.926 -10.454 1.00 0.00 H new ATOM 0 HG3 GLU A 83 11.970 -5.405 -9.735 1.00 0.00 H new ATOM 1232 N VAL A 84 12.032 -6.955 -7.896 1.00 0.00 N ATOM 1233 CA VAL A 84 13.167 -7.146 -6.938 1.00 0.00 C ATOM 1234 C VAL A 84 12.756 -6.701 -5.533 1.00 0.00 C ATOM 1235 O VAL A 84 11.796 -5.981 -5.343 1.00 0.00 O ATOM 1236 CB VAL A 84 14.375 -6.329 -7.406 1.00 0.00 C ATOM 1237 CG1 VAL A 84 14.770 -6.771 -8.816 1.00 0.00 C ATOM 1238 CG2 VAL A 84 14.035 -4.834 -7.413 1.00 0.00 C ATOM 0 H VAL A 84 11.585 -6.039 -7.854 1.00 0.00 H new ATOM 0 HA VAL A 84 13.431 -8.203 -6.908 1.00 0.00 H new ATOM 0 HB VAL A 84 15.206 -6.498 -6.721 1.00 0.00 H new ATOM 0 HG11 VAL A 84 15.630 -6.191 -9.152 1.00 0.00 H new ATOM 0 HG12 VAL A 84 15.028 -7.830 -8.806 1.00 0.00 H new ATOM 0 HG13 VAL A 84 13.934 -6.607 -9.496 1.00 0.00 H new ATOM 0 HG21 VAL A 84 14.902 -4.265 -7.748 1.00 0.00 H new ATOM 0 HG22 VAL A 84 13.200 -4.654 -8.090 1.00 0.00 H new ATOM 0 HG23 VAL A 84 13.761 -4.519 -6.406 1.00 0.00 H new ATOM 1248 N SER A 85 13.485 -7.157 -4.551 1.00 0.00 N ATOM 1249 CA SER A 85 13.179 -6.812 -3.132 1.00 0.00 C ATOM 1250 C SER A 85 13.640 -5.386 -2.832 1.00 0.00 C ATOM 1251 O SER A 85 13.234 -4.789 -1.855 1.00 0.00 O ATOM 1252 CB SER A 85 13.911 -7.791 -2.208 1.00 0.00 C ATOM 1253 OG SER A 85 13.269 -9.059 -2.269 1.00 0.00 O ATOM 0 H SER A 85 14.295 -7.765 -4.674 1.00 0.00 H new ATOM 0 HA SER A 85 12.104 -6.881 -2.966 1.00 0.00 H new ATOM 0 HB2 SER A 85 14.954 -7.883 -2.509 1.00 0.00 H new ATOM 0 HB3 SER A 85 13.907 -7.416 -1.184 1.00 0.00 H new ATOM 0 HG SER A 85 13.734 -9.690 -1.681 1.00 0.00 H new ATOM 1259 N ALA A 86 14.495 -4.846 -3.658 1.00 0.00 N ATOM 1260 CA ALA A 86 15.003 -3.463 -3.428 1.00 0.00 C ATOM 1261 C ALA A 86 13.834 -2.482 -3.499 1.00 0.00 C ATOM 1262 O ALA A 86 13.740 -1.554 -2.723 1.00 0.00 O ATOM 1263 CB ALA A 86 16.026 -3.110 -4.517 1.00 0.00 C ATOM 0 H ALA A 86 14.866 -5.307 -4.489 1.00 0.00 H new ATOM 0 HA ALA A 86 15.476 -3.403 -2.448 1.00 0.00 H new ATOM 0 HB1 ALA A 86 16.399 -2.099 -4.352 1.00 0.00 H new ATOM 0 HB2 ALA A 86 16.857 -3.815 -4.478 1.00 0.00 H new ATOM 0 HB3 ALA A 86 15.549 -3.165 -5.496 1.00 0.00 H new ATOM 1269 N GLU A 87 12.949 -2.693 -4.433 1.00 0.00 N ATOM 1270 CA GLU A 87 11.770 -1.795 -4.585 1.00 0.00 C ATOM 1271 C GLU A 87 10.803 -2.039 -3.428 1.00 0.00 C ATOM 1272 O GLU A 87 10.111 -1.145 -2.986 1.00 0.00 O ATOM 1273 CB GLU A 87 11.071 -2.100 -5.915 1.00 0.00 C ATOM 1274 CG GLU A 87 11.975 -1.668 -7.073 1.00 0.00 C ATOM 1275 CD GLU A 87 11.345 -2.078 -8.406 1.00 0.00 C ATOM 1276 OE1 GLU A 87 10.267 -2.648 -8.381 1.00 0.00 O ATOM 1277 OE2 GLU A 87 11.955 -1.816 -9.431 1.00 0.00 O ATOM 0 H GLU A 87 12.993 -3.459 -5.106 1.00 0.00 H new ATOM 0 HA GLU A 87 12.092 -0.754 -4.576 1.00 0.00 H new ATOM 0 HB2 GLU A 87 10.852 -3.165 -5.988 1.00 0.00 H new ATOM 0 HB3 GLU A 87 10.118 -1.574 -5.967 1.00 0.00 H new ATOM 0 HG2 GLU A 87 12.123 -0.588 -7.047 1.00 0.00 H new ATOM 0 HG3 GLU A 87 12.958 -2.127 -6.969 1.00 0.00 H new ATOM 1284 N LYS A 88 10.749 -3.252 -2.948 1.00 0.00 N ATOM 1285 CA LYS A 88 9.830 -3.583 -1.824 1.00 0.00 C ATOM 1286 C LYS A 88 10.229 -2.782 -0.586 1.00 0.00 C ATOM 1287 O LYS A 88 9.400 -2.194 0.076 1.00 0.00 O ATOM 1288 CB LYS A 88 9.936 -5.086 -1.512 1.00 0.00 C ATOM 1289 CG LYS A 88 9.004 -5.443 -0.348 1.00 0.00 C ATOM 1290 CD LYS A 88 9.056 -6.953 -0.092 1.00 0.00 C ATOM 1291 CE LYS A 88 8.118 -7.311 1.063 1.00 0.00 C ATOM 1292 NZ LYS A 88 8.104 -8.790 1.254 1.00 0.00 N ATOM 0 H LYS A 88 11.308 -4.034 -3.290 1.00 0.00 H new ATOM 0 HA LYS A 88 8.806 -3.334 -2.103 1.00 0.00 H new ATOM 0 HB2 LYS A 88 9.671 -5.669 -2.394 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.965 -5.342 -1.258 1.00 0.00 H new ATOM 0 HG2 LYS A 88 9.303 -4.901 0.549 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.983 -5.138 -0.579 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.764 -7.495 -0.992 1.00 0.00 H new ATOM 0 HD3 LYS A 88 10.075 -7.257 0.147 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.447 -6.819 1.978 1.00 0.00 H new ATOM 0 HE3 LYS A 88 7.111 -6.952 0.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 7.466 -9.033 2.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 7.771 -9.249 0.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 9.065 -9.121 1.474 1.00 0.00 H new ATOM 1306 N LEU A 89 11.494 -2.775 -0.266 1.00 0.00 N ATOM 1307 CA LEU A 89 11.970 -2.036 0.938 1.00 0.00 C ATOM 1308 C LEU A 89 11.719 -0.540 0.770 1.00 0.00 C ATOM 1309 O LEU A 89 11.245 0.119 1.672 1.00 0.00 O ATOM 1310 CB LEU A 89 13.479 -2.269 1.109 1.00 0.00 C ATOM 1311 CG LEU A 89 13.741 -3.734 1.489 1.00 0.00 C ATOM 1312 CD1 LEU A 89 15.249 -4.006 1.473 1.00 0.00 C ATOM 1313 CD2 LEU A 89 13.178 -4.022 2.894 1.00 0.00 C ATOM 0 H LEU A 89 12.225 -3.254 -0.792 1.00 0.00 H new ATOM 0 HA LEU A 89 11.429 -2.397 1.813 1.00 0.00 H new ATOM 0 HB2 LEU A 89 14.001 -2.025 0.184 1.00 0.00 H new ATOM 0 HB3 LEU A 89 13.873 -1.608 1.881 1.00 0.00 H new ATOM 0 HG LEU A 89 13.247 -4.384 0.767 1.00 0.00 H new ATOM 0 HD11 LEU A 89 15.434 -5.046 1.743 1.00 0.00 H new ATOM 0 HD12 LEU A 89 15.643 -3.815 0.475 1.00 0.00 H new ATOM 0 HD13 LEU A 89 15.744 -3.351 2.190 1.00 0.00 H new ATOM 0 HD21 LEU A 89 13.368 -5.063 3.156 1.00 0.00 H new ATOM 0 HD22 LEU A 89 13.663 -3.371 3.621 1.00 0.00 H new ATOM 0 HD23 LEU A 89 12.104 -3.836 2.901 1.00 0.00 H new ATOM 1325 N ILE A 90 12.042 -0.007 -0.375 1.00 0.00 N ATOM 1326 CA ILE A 90 11.835 1.450 -0.619 1.00 0.00 C ATOM 1327 C ILE A 90 10.336 1.748 -0.675 1.00 0.00 C ATOM 1328 O ILE A 90 9.863 2.717 -0.119 1.00 0.00 O ATOM 1329 CB ILE A 90 12.486 1.841 -1.956 1.00 0.00 C ATOM 1330 CG1 ILE A 90 14.009 1.712 -1.836 1.00 0.00 C ATOM 1331 CG2 ILE A 90 12.125 3.290 -2.298 1.00 0.00 C ATOM 1332 CD1 ILE A 90 14.653 1.840 -3.221 1.00 0.00 C ATOM 0 H ILE A 90 12.444 -0.521 -1.159 1.00 0.00 H new ATOM 0 HA ILE A 90 12.290 2.024 0.189 1.00 0.00 H new ATOM 0 HB ILE A 90 12.123 1.181 -2.744 1.00 0.00 H new ATOM 0 HG12 ILE A 90 14.397 2.484 -1.172 1.00 0.00 H new ATOM 0 HG13 ILE A 90 14.268 0.751 -1.392 1.00 0.00 H new ATOM 0 HG21 ILE A 90 12.587 3.566 -3.246 1.00 0.00 H new ATOM 0 HG22 ILE A 90 11.042 3.385 -2.381 1.00 0.00 H new ATOM 0 HG23 ILE A 90 12.488 3.951 -1.511 1.00 0.00 H new ATOM 0 HD11 ILE A 90 15.735 1.748 -3.129 1.00 0.00 H new ATOM 0 HD12 ILE A 90 14.275 1.052 -3.872 1.00 0.00 H new ATOM 0 HD13 ILE A 90 14.407 2.812 -3.648 1.00 0.00 H new ATOM 1344 N PHE A 91 9.598 0.916 -1.361 1.00 0.00 N ATOM 1345 CA PHE A 91 8.129 1.122 -1.487 1.00 0.00 C ATOM 1346 C PHE A 91 7.490 1.058 -0.101 1.00 0.00 C ATOM 1347 O PHE A 91 6.691 1.896 0.263 1.00 0.00 O ATOM 1348 CB PHE A 91 7.546 0.010 -2.372 1.00 0.00 C ATOM 1349 CG PHE A 91 6.033 0.086 -2.360 1.00 0.00 C ATOM 1350 CD1 PHE A 91 5.391 1.238 -2.827 1.00 0.00 C ATOM 1351 CD2 PHE A 91 5.277 -0.991 -1.879 1.00 0.00 C ATOM 1352 CE1 PHE A 91 3.995 1.315 -2.813 1.00 0.00 C ATOM 1353 CE2 PHE A 91 3.881 -0.913 -1.865 1.00 0.00 C ATOM 1354 CZ PHE A 91 3.239 0.240 -2.332 1.00 0.00 C ATOM 0 H PHE A 91 9.957 0.093 -1.845 1.00 0.00 H new ATOM 0 HA PHE A 91 7.926 2.095 -1.934 1.00 0.00 H new ATOM 0 HB2 PHE A 91 7.916 0.112 -3.392 1.00 0.00 H new ATOM 0 HB3 PHE A 91 7.873 -0.965 -2.010 1.00 0.00 H new ATOM 0 HD1 PHE A 91 5.974 2.068 -3.198 1.00 0.00 H new ATOM 0 HD2 PHE A 91 5.772 -1.881 -1.519 1.00 0.00 H new ATOM 0 HE1 PHE A 91 3.500 2.205 -3.174 1.00 0.00 H new ATOM 0 HE2 PHE A 91 3.298 -1.743 -1.494 1.00 0.00 H new ATOM 0 HZ PHE A 91 2.161 0.300 -2.321 1.00 0.00 H new ATOM 1364 N GLU A 92 7.849 0.067 0.665 1.00 0.00 N ATOM 1365 CA GLU A 92 7.285 -0.077 2.035 1.00 0.00 C ATOM 1366 C GLU A 92 7.787 1.071 2.906 1.00 0.00 C ATOM 1367 O GLU A 92 7.098 1.538 3.791 1.00 0.00 O ATOM 1368 CB GLU A 92 7.734 -1.416 2.635 1.00 0.00 C ATOM 1369 CG GLU A 92 7.011 -2.558 1.920 1.00 0.00 C ATOM 1370 CD GLU A 92 7.524 -3.900 2.442 1.00 0.00 C ATOM 1371 OE1 GLU A 92 8.364 -3.890 3.327 1.00 0.00 O ATOM 1372 OE2 GLU A 92 7.068 -4.916 1.948 1.00 0.00 O ATOM 0 H GLU A 92 8.516 -0.657 0.397 1.00 0.00 H new ATOM 0 HA GLU A 92 6.196 -0.051 1.990 1.00 0.00 H new ATOM 0 HB2 GLU A 92 8.813 -1.531 2.530 1.00 0.00 H new ATOM 0 HB3 GLU A 92 7.513 -1.442 3.702 1.00 0.00 H new ATOM 0 HG2 GLU A 92 5.936 -2.480 2.084 1.00 0.00 H new ATOM 0 HG3 GLU A 92 7.175 -2.488 0.845 1.00 0.00 H new ATOM 1379 N LEU A 93 8.993 1.511 2.664 1.00 0.00 N ATOM 1380 CA LEU A 93 9.572 2.620 3.467 1.00 0.00 C ATOM 1381 C LEU A 93 8.751 3.891 3.245 1.00 0.00 C ATOM 1382 O LEU A 93 8.422 4.603 4.175 1.00 0.00 O ATOM 1383 CB LEU A 93 11.024 2.865 3.006 1.00 0.00 C ATOM 1384 CG LEU A 93 11.671 3.970 3.860 1.00 0.00 C ATOM 1385 CD1 LEU A 93 11.831 3.477 5.305 1.00 0.00 C ATOM 1386 CD2 LEU A 93 13.049 4.323 3.288 1.00 0.00 C ATOM 0 H LEU A 93 9.606 1.144 1.936 1.00 0.00 H new ATOM 0 HA LEU A 93 9.556 2.358 4.525 1.00 0.00 H new ATOM 0 HB2 LEU A 93 11.601 1.944 3.091 1.00 0.00 H new ATOM 0 HB3 LEU A 93 11.036 3.153 1.955 1.00 0.00 H new ATOM 0 HG LEU A 93 11.034 4.854 3.845 1.00 0.00 H new ATOM 0 HD11 LEU A 93 12.289 4.261 5.908 1.00 0.00 H new ATOM 0 HD12 LEU A 93 10.852 3.229 5.715 1.00 0.00 H new ATOM 0 HD13 LEU A 93 12.465 2.591 5.319 1.00 0.00 H new ATOM 0 HD21 LEU A 93 13.505 5.106 3.894 1.00 0.00 H new ATOM 0 HD22 LEU A 93 13.685 3.438 3.299 1.00 0.00 H new ATOM 0 HD23 LEU A 93 12.938 4.677 2.263 1.00 0.00 H new ATOM 1398 N LYS A 94 8.437 4.182 2.014 1.00 0.00 N ATOM 1399 CA LYS A 94 7.650 5.406 1.697 1.00 0.00 C ATOM 1400 C LYS A 94 6.234 5.271 2.257 1.00 0.00 C ATOM 1401 O LYS A 94 5.691 6.196 2.826 1.00 0.00 O ATOM 1402 CB LYS A 94 7.574 5.574 0.180 1.00 0.00 C ATOM 1403 CG LYS A 94 8.966 5.902 -0.372 1.00 0.00 C ATOM 1404 CD LYS A 94 8.909 6.021 -1.912 1.00 0.00 C ATOM 1405 CE LYS A 94 8.652 7.479 -2.310 1.00 0.00 C ATOM 1406 NZ LYS A 94 7.339 7.922 -1.766 1.00 0.00 N ATOM 0 H LYS A 94 8.695 3.617 1.205 1.00 0.00 H new ATOM 0 HA LYS A 94 8.135 6.273 2.145 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.196 4.660 -0.279 1.00 0.00 H new ATOM 0 HB3 LYS A 94 6.874 6.371 -0.073 1.00 0.00 H new ATOM 0 HG2 LYS A 94 9.327 6.835 0.060 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.673 5.123 -0.085 1.00 0.00 H new ATOM 0 HD2 LYS A 94 9.846 5.675 -2.348 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.119 5.382 -2.307 1.00 0.00 H new ATOM 0 HE2 LYS A 94 9.449 8.117 -1.928 1.00 0.00 H new ATOM 0 HE3 LYS A 94 8.659 7.577 -3.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 6.943 8.666 -2.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 6.685 7.114 -1.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 7.470 8.296 -0.805 1.00 0.00 H new ATOM 1420 N THR A 95 5.633 4.124 2.079 1.00 0.00 N ATOM 1421 CA THR A 95 4.244 3.907 2.577 1.00 0.00 C ATOM 1422 C THR A 95 4.236 3.912 4.106 1.00 0.00 C ATOM 1423 O THR A 95 3.283 4.343 4.726 1.00 0.00 O ATOM 1424 CB THR A 95 3.718 2.554 2.071 1.00 0.00 C ATOM 1425 OG1 THR A 95 4.586 1.512 2.490 1.00 0.00 O ATOM 1426 CG2 THR A 95 3.638 2.568 0.544 1.00 0.00 C ATOM 0 H THR A 95 6.049 3.322 1.606 1.00 0.00 H new ATOM 0 HA THR A 95 3.604 4.708 2.208 1.00 0.00 H new ATOM 0 HB THR A 95 2.724 2.383 2.484 1.00 0.00 H new ATOM 0 HG1 THR A 95 5.423 1.898 2.824 1.00 0.00 H new ATOM 0 HG21 THR A 95 3.265 1.607 0.190 1.00 0.00 H new ATOM 0 HG22 THR A 95 2.962 3.360 0.222 1.00 0.00 H new ATOM 0 HG23 THR A 95 4.630 2.747 0.129 1.00 0.00 H new ATOM 1434 N ARG A 96 5.287 3.426 4.713 1.00 0.00 N ATOM 1435 CA ARG A 96 5.355 3.385 6.203 1.00 0.00 C ATOM 1436 C ARG A 96 5.310 4.811 6.756 1.00 0.00 C ATOM 1437 O ARG A 96 4.630 5.091 7.722 1.00 0.00 O ATOM 1438 CB ARG A 96 6.669 2.718 6.635 1.00 0.00 C ATOM 1439 CG ARG A 96 6.700 2.594 8.164 1.00 0.00 C ATOM 1440 CD ARG A 96 8.003 1.924 8.606 1.00 0.00 C ATOM 1441 NE ARG A 96 8.034 0.516 8.117 1.00 0.00 N ATOM 1442 CZ ARG A 96 7.299 -0.408 8.686 1.00 0.00 C ATOM 1443 NH1 ARG A 96 6.513 -0.111 9.691 1.00 0.00 N ATOM 1444 NH2 ARG A 96 7.351 -1.634 8.247 1.00 0.00 N ATOM 0 H ARG A 96 6.108 3.053 4.236 1.00 0.00 H new ATOM 0 HA ARG A 96 4.509 2.816 6.589 1.00 0.00 H new ATOM 0 HB2 ARG A 96 6.757 1.733 6.178 1.00 0.00 H new ATOM 0 HB3 ARG A 96 7.519 3.307 6.290 1.00 0.00 H new ATOM 0 HG2 ARG A 96 6.616 3.581 8.619 1.00 0.00 H new ATOM 0 HG3 ARG A 96 5.846 2.010 8.508 1.00 0.00 H new ATOM 0 HD2 ARG A 96 8.858 2.475 8.213 1.00 0.00 H new ATOM 0 HD3 ARG A 96 8.083 1.944 9.693 1.00 0.00 H new ATOM 0 HE ARG A 96 8.634 0.269 7.330 1.00 0.00 H new ATOM 0 HH11 ARG A 96 6.469 0.847 10.038 1.00 0.00 H new ATOM 0 HH12 ARG A 96 5.945 -0.838 10.126 1.00 0.00 H new ATOM 0 HH21 ARG A 96 7.961 -1.870 7.465 1.00 0.00 H new ATOM 0 HH22 ARG A 96 6.781 -2.357 8.686 1.00 0.00 H new ATOM 1458 N ALA A 97 6.042 5.703 6.147 1.00 0.00 N ATOM 1459 CA ALA A 97 6.071 7.119 6.616 1.00 0.00 C ATOM 1460 C ALA A 97 4.701 7.760 6.391 1.00 0.00 C ATOM 1461 O ALA A 97 4.271 8.605 7.150 1.00 0.00 O ATOM 1462 CB ALA A 97 7.141 7.890 5.833 1.00 0.00 C ATOM 0 H ALA A 97 6.628 5.509 5.335 1.00 0.00 H new ATOM 0 HA ALA A 97 6.309 7.149 7.679 1.00 0.00 H new ATOM 0 HB1 ALA A 97 7.165 8.925 6.173 1.00 0.00 H new ATOM 0 HB2 ALA A 97 8.115 7.431 5.999 1.00 0.00 H new ATOM 0 HB3 ALA A 97 6.904 7.863 4.769 1.00 0.00 H new