USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 752 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 57 MET CE :methyl -109:sc= -5.43! (180deg=-10.4!) USER MOD Set 1.2: A 96 CYS SG : rot 28:sc= -8.01! USER MOD Set 2.1: A 48 TYR OH : rot 168:sc= 0.667 USER MOD Set 2.2: A 87 THR OG1 : rot -41:sc= 0.17 USER MOD Single : A 23 LYS NZ :NH3+ 140:sc= -0.089 (180deg=-0.679) USER MOD Single : A 28 THR OG1 : rot -78:sc= 0.544 USER MOD Single : A 40 MET CE :methyl -126:sc= -1.35 (180deg=-4.03!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -76:sc= -1.69 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 SER OG : rot -72:sc= 0.639 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl -157:sc= 0 (180deg=-0.43) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.871 K(o=-0.87,f=-0.053!) USER MOD Single : A 73 HIS : no HD1:sc= -0.42 X(o=-0.42,f=-0.21) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl -149:sc= -9.79! (180deg=-12.1!) USER MOD Single : A 79 THR OG1 : rot 105:sc= 0.981 USER MOD Single : A 81 MET CE :methyl 179:sc= -8.54! (180deg=-8.91!) USER MOD Single : A 83 TYR OH : rot 180:sc= -0.267 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 86:sc= 0.742 USER MOD Single : A 93 SER OG : rot 180:sc= -2.08! USER MOD Single : A 94 GLN : amide:sc= -0.165 K(o=-0.17,f=-2.7!) USER MOD Single : A 95 GLN : amide:sc= -2.23 K(o=-2.2,f=-5.2!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= -0.31 X(o=-0.31,f=0) USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= -0.174 X(o=-0.17,f=-0.43) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 ASN : amide:sc= -0.366 K(o=-0.37,f=-2.9!) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 GLN : amide:sc= -0.507 K(o=-0.51,f=-3.5!) USER MOD ----------------------------------------------------------------- ATOM 355 N GLU A 19 130.297 -5.747 -6.219 1.00 0.00 N ATOM 356 CA GLU A 19 128.949 -6.269 -6.582 1.00 0.00 C ATOM 357 C GLU A 19 127.903 -5.767 -5.584 1.00 0.00 C ATOM 358 O GLU A 19 126.753 -6.158 -5.626 1.00 0.00 O ATOM 359 CB GLU A 19 129.080 -7.791 -6.505 1.00 0.00 C ATOM 360 CG GLU A 19 129.173 -8.222 -5.040 1.00 0.00 C ATOM 361 CD GLU A 19 129.986 -9.515 -4.939 1.00 0.00 C ATOM 362 OE1 GLU A 19 130.156 -10.165 -5.957 1.00 0.00 O ATOM 363 OE2 GLU A 19 130.425 -9.832 -3.846 1.00 0.00 O ATOM 0 HA GLU A 19 128.629 -5.938 -7.570 1.00 0.00 H new ATOM 0 HB2 GLU A 19 128.221 -8.265 -6.981 1.00 0.00 H new ATOM 0 HB3 GLU A 19 129.966 -8.118 -7.048 1.00 0.00 H new ATOM 0 HG2 GLU A 19 129.643 -7.437 -4.448 1.00 0.00 H new ATOM 0 HG3 GLU A 19 128.174 -8.375 -4.631 1.00 0.00 H new ATOM 370 N ALA A 20 128.293 -4.904 -4.685 1.00 0.00 N ATOM 371 CA ALA A 20 127.320 -4.377 -3.686 1.00 0.00 C ATOM 372 C ALA A 20 126.174 -3.649 -4.394 1.00 0.00 C ATOM 373 O ALA A 20 125.017 -3.839 -4.079 1.00 0.00 O ATOM 374 CB ALA A 20 128.123 -3.403 -2.825 1.00 0.00 C ATOM 0 H ALA A 20 129.243 -4.542 -4.599 1.00 0.00 H new ATOM 0 HA ALA A 20 126.870 -5.172 -3.091 1.00 0.00 H new ATOM 0 HB1 ALA A 20 127.474 -2.971 -2.063 1.00 0.00 H new ATOM 0 HB2 ALA A 20 128.944 -3.934 -2.344 1.00 0.00 H new ATOM 0 HB3 ALA A 20 128.524 -2.608 -3.453 1.00 0.00 H new ATOM 380 N GLU A 21 126.488 -2.817 -5.350 1.00 0.00 N ATOM 381 CA GLU A 21 125.414 -2.079 -6.075 1.00 0.00 C ATOM 382 C GLU A 21 124.254 -3.024 -6.398 1.00 0.00 C ATOM 383 O GLU A 21 123.099 -2.668 -6.279 1.00 0.00 O ATOM 384 CB GLU A 21 126.074 -1.578 -7.360 1.00 0.00 C ATOM 385 CG GLU A 21 126.744 -2.749 -8.081 1.00 0.00 C ATOM 386 CD GLU A 21 127.608 -2.217 -9.225 1.00 0.00 C ATOM 387 OE1 GLU A 21 128.552 -1.498 -8.943 1.00 0.00 O ATOM 388 OE2 GLU A 21 127.312 -2.539 -10.365 1.00 0.00 O ATOM 0 H GLU A 21 127.439 -2.617 -5.660 1.00 0.00 H new ATOM 0 HA GLU A 21 125.003 -1.260 -5.485 1.00 0.00 H new ATOM 0 HB2 GLU A 21 125.329 -1.117 -8.008 1.00 0.00 H new ATOM 0 HB3 GLU A 21 126.812 -0.811 -7.127 1.00 0.00 H new ATOM 0 HG2 GLU A 21 127.357 -3.317 -7.382 1.00 0.00 H new ATOM 0 HG3 GLU A 21 125.988 -3.431 -8.469 1.00 0.00 H new ATOM 395 N ILE A 22 124.552 -4.229 -6.802 1.00 0.00 N ATOM 396 CA ILE A 22 123.466 -5.196 -7.127 1.00 0.00 C ATOM 397 C ILE A 22 122.738 -5.615 -5.846 1.00 0.00 C ATOM 398 O ILE A 22 121.530 -5.741 -5.820 1.00 0.00 O ATOM 399 CB ILE A 22 124.174 -6.392 -7.761 1.00 0.00 C ATOM 400 CG1 ILE A 22 124.963 -5.922 -8.988 1.00 0.00 C ATOM 401 CG2 ILE A 22 123.135 -7.430 -8.189 1.00 0.00 C ATOM 402 CD1 ILE A 22 125.573 -7.130 -9.702 1.00 0.00 C ATOM 0 H ILE A 22 125.500 -4.585 -6.921 1.00 0.00 H new ATOM 0 HA ILE A 22 122.717 -4.770 -7.795 1.00 0.00 H new ATOM 0 HB ILE A 22 124.856 -6.839 -7.038 1.00 0.00 H new ATOM 0 HG12 ILE A 22 124.307 -5.378 -9.668 1.00 0.00 H new ATOM 0 HG13 ILE A 22 125.750 -5.231 -8.684 1.00 0.00 H new ATOM 0 HG21 ILE A 22 123.639 -8.284 -8.642 1.00 0.00 H new ATOM 0 HG22 ILE A 22 122.571 -7.762 -7.317 1.00 0.00 H new ATOM 0 HG23 ILE A 22 122.453 -6.985 -8.914 1.00 0.00 H new ATOM 0 HD11 ILE A 22 126.133 -6.793 -10.574 1.00 0.00 H new ATOM 0 HD12 ILE A 22 126.243 -7.655 -9.021 1.00 0.00 H new ATOM 0 HD13 ILE A 22 124.778 -7.804 -10.020 1.00 0.00 H new ATOM 414 N LYS A 23 123.465 -5.829 -4.783 1.00 0.00 N ATOM 415 CA LYS A 23 122.815 -6.235 -3.505 1.00 0.00 C ATOM 416 C LYS A 23 121.816 -5.163 -3.058 1.00 0.00 C ATOM 417 O LYS A 23 120.632 -5.411 -2.952 1.00 0.00 O ATOM 418 CB LYS A 23 123.960 -6.351 -2.499 1.00 0.00 C ATOM 419 CG LYS A 23 124.957 -7.408 -2.978 1.00 0.00 C ATOM 420 CD LYS A 23 124.413 -8.803 -2.667 1.00 0.00 C ATOM 421 CE LYS A 23 123.901 -9.452 -3.954 1.00 0.00 C ATOM 422 NZ LYS A 23 125.125 -9.748 -4.749 1.00 0.00 N ATOM 0 H LYS A 23 124.480 -5.740 -4.745 1.00 0.00 H new ATOM 0 HA LYS A 23 122.260 -7.168 -3.601 1.00 0.00 H new ATOM 0 HB2 LYS A 23 124.460 -5.389 -2.388 1.00 0.00 H new ATOM 0 HB3 LYS A 23 123.570 -6.622 -1.518 1.00 0.00 H new ATOM 0 HG2 LYS A 23 125.127 -7.303 -4.050 1.00 0.00 H new ATOM 0 HG3 LYS A 23 125.919 -7.264 -2.487 1.00 0.00 H new ATOM 0 HD2 LYS A 23 125.195 -9.419 -2.223 1.00 0.00 H new ATOM 0 HD3 LYS A 23 123.607 -8.736 -1.936 1.00 0.00 H new ATOM 0 HE2 LYS A 23 123.339 -10.361 -3.741 1.00 0.00 H new ATOM 0 HE3 LYS A 23 123.232 -8.783 -4.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 125.024 -10.675 -5.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 125.255 -9.013 -5.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 125.953 -9.763 -4.119 1.00 0.00 H new ATOM 436 N VAL A 24 122.284 -3.972 -2.800 1.00 0.00 N ATOM 437 CA VAL A 24 121.360 -2.887 -2.364 1.00 0.00 C ATOM 438 C VAL A 24 120.144 -2.828 -3.293 1.00 0.00 C ATOM 439 O VAL A 24 119.048 -2.511 -2.876 1.00 0.00 O ATOM 440 CB VAL A 24 122.180 -1.600 -2.474 1.00 0.00 C ATOM 441 CG1 VAL A 24 121.301 -0.403 -2.105 1.00 0.00 C ATOM 442 CG2 VAL A 24 123.373 -1.669 -1.516 1.00 0.00 C ATOM 0 H VAL A 24 123.265 -3.704 -2.872 1.00 0.00 H new ATOM 0 HA VAL A 24 120.983 -3.045 -1.353 1.00 0.00 H new ATOM 0 HB VAL A 24 122.541 -1.487 -3.496 1.00 0.00 H new ATOM 0 HG11 VAL A 24 121.884 0.515 -2.183 1.00 0.00 H new ATOM 0 HG12 VAL A 24 120.451 -0.352 -2.786 1.00 0.00 H new ATOM 0 HG13 VAL A 24 120.940 -0.518 -1.083 1.00 0.00 H new ATOM 0 HG21 VAL A 24 123.957 -0.752 -1.595 1.00 0.00 H new ATOM 0 HG22 VAL A 24 123.013 -1.783 -0.494 1.00 0.00 H new ATOM 0 HG23 VAL A 24 124.000 -2.522 -1.777 1.00 0.00 H new ATOM 452 N ARG A 25 120.332 -3.129 -4.548 1.00 0.00 N ATOM 453 CA ARG A 25 119.188 -3.091 -5.505 1.00 0.00 C ATOM 454 C ARG A 25 118.148 -4.148 -5.129 1.00 0.00 C ATOM 455 O ARG A 25 116.963 -3.883 -5.090 1.00 0.00 O ATOM 456 CB ARG A 25 119.804 -3.404 -6.869 1.00 0.00 C ATOM 457 CG ARG A 25 118.734 -3.277 -7.954 1.00 0.00 C ATOM 458 CD ARG A 25 119.186 -2.255 -9.001 1.00 0.00 C ATOM 459 NE ARG A 25 119.397 -3.049 -10.244 1.00 0.00 N ATOM 460 CZ ARG A 25 119.674 -2.442 -11.366 1.00 0.00 C ATOM 461 NH1 ARG A 25 119.269 -1.218 -11.562 1.00 0.00 N ATOM 462 NH2 ARG A 25 120.355 -3.061 -12.291 1.00 0.00 N ATOM 0 H ARG A 25 121.228 -3.400 -4.953 1.00 0.00 H new ATOM 0 HA ARG A 25 118.676 -2.129 -5.500 1.00 0.00 H new ATOM 0 HB2 ARG A 25 120.627 -2.720 -7.074 1.00 0.00 H new ATOM 0 HB3 ARG A 25 120.220 -4.412 -6.869 1.00 0.00 H new ATOM 0 HG2 ARG A 25 118.563 -4.245 -8.425 1.00 0.00 H new ATOM 0 HG3 ARG A 25 117.788 -2.966 -7.512 1.00 0.00 H new ATOM 0 HD2 ARG A 25 118.433 -1.481 -9.149 1.00 0.00 H new ATOM 0 HD3 ARG A 25 120.103 -1.752 -8.693 1.00 0.00 H new ATOM 0 HE ARG A 25 119.325 -4.066 -10.218 1.00 0.00 H new ATOM 0 HH11 ARG A 25 118.736 -0.735 -10.839 1.00 0.00 H new ATOM 0 HH12 ARG A 25 119.485 -0.743 -12.439 1.00 0.00 H new ATOM 0 HH21 ARG A 25 120.671 -4.019 -12.137 1.00 0.00 H new ATOM 0 HH22 ARG A 25 120.572 -2.587 -13.168 1.00 0.00 H new ATOM 476 N GLU A 26 118.585 -5.343 -4.853 1.00 0.00 N ATOM 477 CA GLU A 26 117.626 -6.421 -4.479 1.00 0.00 C ATOM 478 C GLU A 26 117.108 -6.197 -3.056 1.00 0.00 C ATOM 479 O GLU A 26 116.107 -6.757 -2.654 1.00 0.00 O ATOM 480 CB GLU A 26 118.435 -7.715 -4.559 1.00 0.00 C ATOM 481 CG GLU A 26 118.055 -8.478 -5.829 1.00 0.00 C ATOM 482 CD GLU A 26 118.354 -9.966 -5.641 1.00 0.00 C ATOM 483 OE1 GLU A 26 117.584 -10.622 -4.960 1.00 0.00 O ATOM 484 OE2 GLU A 26 119.348 -10.422 -6.180 1.00 0.00 O ATOM 0 H GLU A 26 119.566 -5.622 -4.870 1.00 0.00 H new ATOM 0 HA GLU A 26 116.754 -6.445 -5.133 1.00 0.00 H new ATOM 0 HB2 GLU A 26 119.501 -7.490 -4.563 1.00 0.00 H new ATOM 0 HB3 GLU A 26 118.243 -8.331 -3.681 1.00 0.00 H new ATOM 0 HG2 GLU A 26 116.997 -8.334 -6.049 1.00 0.00 H new ATOM 0 HG3 GLU A 26 118.614 -8.089 -6.680 1.00 0.00 H new ATOM 491 N ALA A 27 117.783 -5.383 -2.291 1.00 0.00 N ATOM 492 CA ALA A 27 117.328 -5.125 -0.895 1.00 0.00 C ATOM 493 C ALA A 27 116.181 -4.111 -0.893 1.00 0.00 C ATOM 494 O ALA A 27 115.339 -4.113 -0.017 1.00 0.00 O ATOM 495 CB ALA A 27 118.553 -4.552 -0.179 1.00 0.00 C ATOM 0 H ALA A 27 118.628 -4.886 -2.572 1.00 0.00 H new ATOM 0 HA ALA A 27 116.956 -6.026 -0.408 1.00 0.00 H new ATOM 0 HB1 ALA A 27 118.299 -4.335 0.859 1.00 0.00 H new ATOM 0 HB2 ALA A 27 119.365 -5.278 -0.210 1.00 0.00 H new ATOM 0 HB3 ALA A 27 118.868 -3.634 -0.675 1.00 0.00 H new ATOM 501 N THR A 28 116.141 -3.245 -1.868 1.00 0.00 N ATOM 502 CA THR A 28 115.047 -2.233 -1.923 1.00 0.00 C ATOM 503 C THR A 28 114.220 -2.419 -3.199 1.00 0.00 C ATOM 504 O THR A 28 113.901 -1.470 -3.887 1.00 0.00 O ATOM 505 CB THR A 28 115.758 -0.880 -1.938 1.00 0.00 C ATOM 506 OG1 THR A 28 116.627 -0.816 -3.060 1.00 0.00 O ATOM 507 CG2 THR A 28 116.567 -0.712 -0.652 1.00 0.00 C ATOM 0 H THR A 28 116.818 -3.194 -2.629 1.00 0.00 H new ATOM 0 HA THR A 28 114.359 -2.322 -1.082 1.00 0.00 H new ATOM 0 HB THR A 28 115.019 -0.082 -2.005 1.00 0.00 H new ATOM 0 HG1 THR A 28 117.442 -1.328 -2.872 1.00 0.00 H new ATOM 0 HG21 THR A 28 117.073 0.253 -0.664 1.00 0.00 H new ATOM 0 HG22 THR A 28 115.898 -0.760 0.207 1.00 0.00 H new ATOM 0 HG23 THR A 28 117.307 -1.509 -0.581 1.00 0.00 H new ATOM 644 N LEU A 39 120.283 -10.682 2.798 1.00 0.00 N ATOM 645 CA LEU A 39 120.957 -9.759 1.841 1.00 0.00 C ATOM 646 C LEU A 39 121.442 -8.503 2.571 1.00 0.00 C ATOM 647 O LEU A 39 122.373 -7.848 2.148 1.00 0.00 O ATOM 648 CB LEU A 39 119.882 -9.401 0.813 1.00 0.00 C ATOM 649 CG LEU A 39 120.465 -8.440 -0.224 1.00 0.00 C ATOM 650 CD1 LEU A 39 120.488 -9.122 -1.594 1.00 0.00 C ATOM 651 CD2 LEU A 39 119.597 -7.183 -0.296 1.00 0.00 C ATOM 0 HA LEU A 39 121.832 -10.213 1.375 1.00 0.00 H new ATOM 0 HB2 LEU A 39 119.518 -10.304 0.323 1.00 0.00 H new ATOM 0 HB3 LEU A 39 119.028 -8.941 1.310 1.00 0.00 H new ATOM 0 HG LEU A 39 121.480 -8.166 0.063 1.00 0.00 H new ATOM 0 HD11 LEU A 39 120.903 -8.438 -2.334 1.00 0.00 H new ATOM 0 HD12 LEU A 39 121.104 -10.020 -1.543 1.00 0.00 H new ATOM 0 HD13 LEU A 39 119.473 -9.395 -1.882 1.00 0.00 H new ATOM 0 HD21 LEU A 39 120.011 -6.497 -1.035 1.00 0.00 H new ATOM 0 HD22 LEU A 39 118.582 -7.458 -0.584 1.00 0.00 H new ATOM 0 HD23 LEU A 39 119.578 -6.698 0.680 1.00 0.00 H new ATOM 663 N MET A 40 120.818 -8.165 3.667 1.00 0.00 N ATOM 664 CA MET A 40 121.244 -6.952 4.424 1.00 0.00 C ATOM 665 C MET A 40 122.639 -7.164 5.018 1.00 0.00 C ATOM 666 O MET A 40 123.531 -6.361 4.832 1.00 0.00 O ATOM 667 CB MET A 40 120.207 -6.796 5.536 1.00 0.00 C ATOM 668 CG MET A 40 118.826 -6.567 4.919 1.00 0.00 C ATOM 669 SD MET A 40 117.711 -5.887 6.174 1.00 0.00 S ATOM 670 CE MET A 40 117.654 -4.195 5.534 1.00 0.00 C ATOM 0 H MET A 40 120.033 -8.675 4.071 1.00 0.00 H new ATOM 0 HA MET A 40 121.299 -6.067 3.790 1.00 0.00 H new ATOM 0 HB2 MET A 40 120.193 -7.688 6.163 1.00 0.00 H new ATOM 0 HB3 MET A 40 120.473 -5.958 6.180 1.00 0.00 H new ATOM 0 HG2 MET A 40 118.902 -5.882 4.075 1.00 0.00 H new ATOM 0 HG3 MET A 40 118.428 -7.505 4.533 1.00 0.00 H new ATOM 0 HE1 MET A 40 117.924 -3.497 6.326 1.00 0.00 H new ATOM 0 HE2 MET A 40 118.357 -4.095 4.707 1.00 0.00 H new ATOM 0 HE3 MET A 40 116.646 -3.973 5.183 1.00 0.00 H new ATOM 680 N SER A 41 122.833 -8.238 5.732 1.00 0.00 N ATOM 681 CA SER A 41 124.169 -8.500 6.338 1.00 0.00 C ATOM 682 C SER A 41 125.254 -8.479 5.257 1.00 0.00 C ATOM 683 O SER A 41 126.382 -8.098 5.504 1.00 0.00 O ATOM 684 CB SER A 41 124.057 -9.891 6.958 1.00 0.00 C ATOM 685 OG SER A 41 125.358 -10.447 7.102 1.00 0.00 O ATOM 0 H SER A 41 122.124 -8.946 5.922 1.00 0.00 H new ATOM 0 HA SER A 41 124.442 -7.746 7.076 1.00 0.00 H new ATOM 0 HB2 SER A 41 123.565 -9.831 7.929 1.00 0.00 H new ATOM 0 HB3 SER A 41 123.442 -10.534 6.329 1.00 0.00 H new ATOM 0 HG SER A 41 125.290 -11.339 7.501 1.00 0.00 H new ATOM 691 N GLU A 42 124.923 -8.885 4.062 1.00 0.00 N ATOM 692 CA GLU A 42 125.938 -8.887 2.969 1.00 0.00 C ATOM 693 C GLU A 42 126.227 -7.455 2.513 1.00 0.00 C ATOM 694 O GLU A 42 127.367 -7.062 2.357 1.00 0.00 O ATOM 695 CB GLU A 42 125.303 -9.696 1.837 1.00 0.00 C ATOM 696 CG GLU A 42 126.165 -10.924 1.542 1.00 0.00 C ATOM 697 CD GLU A 42 125.269 -12.084 1.103 1.00 0.00 C ATOM 698 OE1 GLU A 42 124.065 -11.895 1.066 1.00 0.00 O ATOM 699 OE2 GLU A 42 125.803 -13.142 0.812 1.00 0.00 O ATOM 0 H GLU A 42 123.996 -9.215 3.795 1.00 0.00 H new ATOM 0 HA GLU A 42 126.888 -9.315 3.289 1.00 0.00 H new ATOM 0 HB2 GLU A 42 124.296 -10.004 2.117 1.00 0.00 H new ATOM 0 HB3 GLU A 42 125.211 -9.080 0.943 1.00 0.00 H new ATOM 0 HG2 GLU A 42 126.889 -10.694 0.760 1.00 0.00 H new ATOM 0 HG3 GLU A 42 126.732 -11.205 2.429 1.00 0.00 H new ATOM 706 N ILE A 43 125.207 -6.669 2.299 1.00 0.00 N ATOM 707 CA ILE A 43 125.434 -5.264 1.855 1.00 0.00 C ATOM 708 C ILE A 43 126.264 -4.516 2.901 1.00 0.00 C ATOM 709 O ILE A 43 127.034 -3.632 2.581 1.00 0.00 O ATOM 710 CB ILE A 43 124.037 -4.655 1.729 1.00 0.00 C ATOM 711 CG1 ILE A 43 123.340 -5.241 0.498 1.00 0.00 C ATOM 712 CG2 ILE A 43 124.152 -3.137 1.574 1.00 0.00 C ATOM 713 CD1 ILE A 43 121.851 -4.893 0.539 1.00 0.00 C ATOM 0 H ILE A 43 124.230 -6.938 2.412 1.00 0.00 H new ATOM 0 HA ILE A 43 125.982 -5.206 0.914 1.00 0.00 H new ATOM 0 HB ILE A 43 123.457 -4.884 2.623 1.00 0.00 H new ATOM 0 HG12 ILE A 43 123.792 -4.845 -0.411 1.00 0.00 H new ATOM 0 HG13 ILE A 43 123.471 -6.323 0.474 1.00 0.00 H new ATOM 0 HG21 ILE A 43 123.156 -2.704 1.484 1.00 0.00 H new ATOM 0 HG22 ILE A 43 124.652 -2.719 2.448 1.00 0.00 H new ATOM 0 HG23 ILE A 43 124.730 -2.905 0.680 1.00 0.00 H new ATOM 0 HD11 ILE A 43 121.356 -5.310 -0.338 1.00 0.00 H new ATOM 0 HD12 ILE A 43 121.404 -5.311 1.441 1.00 0.00 H new ATOM 0 HD13 ILE A 43 121.730 -3.810 0.542 1.00 0.00 H new ATOM 725 N ALA A 44 126.125 -4.871 4.150 1.00 0.00 N ATOM 726 CA ALA A 44 126.919 -4.188 5.212 1.00 0.00 C ATOM 727 C ALA A 44 128.389 -4.598 5.092 1.00 0.00 C ATOM 728 O ALA A 44 129.277 -3.769 5.027 1.00 0.00 O ATOM 729 CB ALA A 44 126.322 -4.678 6.531 1.00 0.00 C ATOM 0 H ALA A 44 125.497 -5.603 4.481 1.00 0.00 H new ATOM 0 HA ALA A 44 126.880 -3.101 5.137 1.00 0.00 H new ATOM 0 HB1 ALA A 44 126.854 -4.219 7.364 1.00 0.00 H new ATOM 0 HB2 ALA A 44 125.268 -4.403 6.578 1.00 0.00 H new ATOM 0 HB3 ALA A 44 126.417 -5.762 6.593 1.00 0.00 H new ATOM 735 N ASP A 45 128.654 -5.874 5.039 1.00 0.00 N ATOM 736 CA ASP A 45 130.064 -6.324 4.901 1.00 0.00 C ATOM 737 C ASP A 45 130.696 -5.612 3.704 1.00 0.00 C ATOM 738 O ASP A 45 131.901 -5.499 3.596 1.00 0.00 O ATOM 739 CB ASP A 45 129.981 -7.831 4.655 1.00 0.00 C ATOM 740 CG ASP A 45 131.351 -8.465 4.899 1.00 0.00 C ATOM 741 OD1 ASP A 45 132.278 -7.729 5.199 1.00 0.00 O ATOM 742 OD2 ASP A 45 131.452 -9.675 4.781 1.00 0.00 O ATOM 0 H ASP A 45 127.959 -6.619 5.085 1.00 0.00 H new ATOM 0 HA ASP A 45 130.672 -6.100 5.778 1.00 0.00 H new ATOM 0 HB2 ASP A 45 129.239 -8.278 5.317 1.00 0.00 H new ATOM 0 HB3 ASP A 45 129.655 -8.026 3.633 1.00 0.00 H new ATOM 747 N LEU A 46 129.882 -5.127 2.805 1.00 0.00 N ATOM 748 CA LEU A 46 130.419 -4.417 1.613 1.00 0.00 C ATOM 749 C LEU A 46 130.796 -2.980 1.978 1.00 0.00 C ATOM 750 O LEU A 46 131.789 -2.456 1.518 1.00 0.00 O ATOM 751 CB LEU A 46 129.282 -4.436 0.591 1.00 0.00 C ATOM 752 CG LEU A 46 129.346 -5.735 -0.213 1.00 0.00 C ATOM 753 CD1 LEU A 46 128.084 -5.872 -1.066 1.00 0.00 C ATOM 754 CD2 LEU A 46 130.577 -5.707 -1.123 1.00 0.00 C ATOM 0 H LEU A 46 128.865 -5.193 2.847 1.00 0.00 H new ATOM 0 HA LEU A 46 131.321 -4.889 1.223 1.00 0.00 H new ATOM 0 HB2 LEU A 46 128.321 -4.356 1.098 1.00 0.00 H new ATOM 0 HB3 LEU A 46 129.363 -3.578 -0.076 1.00 0.00 H new ATOM 0 HG LEU A 46 129.415 -6.583 0.469 1.00 0.00 H new ATOM 0 HD11 LEU A 46 128.131 -6.798 -1.639 1.00 0.00 H new ATOM 0 HD12 LEU A 46 127.207 -5.889 -0.419 1.00 0.00 H new ATOM 0 HD13 LEU A 46 128.013 -5.026 -1.750 1.00 0.00 H new ATOM 0 HD21 LEU A 46 130.626 -6.632 -1.698 1.00 0.00 H new ATOM 0 HD22 LEU A 46 130.506 -4.859 -1.805 1.00 0.00 H new ATOM 0 HD23 LEU A 46 131.477 -5.610 -0.515 1.00 0.00 H new ATOM 766 N THR A 47 130.020 -2.336 2.808 1.00 0.00 N ATOM 767 CA THR A 47 130.366 -0.937 3.193 1.00 0.00 C ATOM 768 C THR A 47 131.807 -0.899 3.689 1.00 0.00 C ATOM 769 O THR A 47 132.584 -0.042 3.316 1.00 0.00 O ATOM 770 CB THR A 47 129.408 -0.557 4.324 1.00 0.00 C ATOM 771 OG1 THR A 47 129.524 -1.500 5.380 1.00 0.00 O ATOM 772 CG2 THR A 47 127.971 -0.533 3.803 1.00 0.00 C ATOM 0 H THR A 47 129.172 -2.712 3.232 1.00 0.00 H new ATOM 0 HA THR A 47 130.275 -0.246 2.355 1.00 0.00 H new ATOM 0 HB THR A 47 129.665 0.435 4.696 1.00 0.00 H new ATOM 0 HG1 THR A 47 129.059 -2.326 5.133 1.00 0.00 H new ATOM 0 HG21 THR A 47 127.295 -0.262 4.614 1.00 0.00 H new ATOM 0 HG22 THR A 47 127.887 0.199 3.000 1.00 0.00 H new ATOM 0 HG23 THR A 47 127.705 -1.520 3.423 1.00 0.00 H new ATOM 780 N TYR A 48 132.173 -1.835 4.523 1.00 0.00 N ATOM 781 CA TYR A 48 133.574 -1.863 5.037 1.00 0.00 C ATOM 782 C TYR A 48 134.543 -1.597 3.884 1.00 0.00 C ATOM 783 O TYR A 48 135.502 -0.863 4.017 1.00 0.00 O ATOM 784 CB TYR A 48 133.768 -3.276 5.587 1.00 0.00 C ATOM 785 CG TYR A 48 132.927 -3.456 6.827 1.00 0.00 C ATOM 786 CD1 TYR A 48 133.420 -3.049 8.072 1.00 0.00 C ATOM 787 CD2 TYR A 48 131.655 -4.031 6.731 1.00 0.00 C ATOM 788 CE1 TYR A 48 132.640 -3.218 9.223 1.00 0.00 C ATOM 789 CE2 TYR A 48 130.875 -4.201 7.881 1.00 0.00 C ATOM 790 CZ TYR A 48 131.368 -3.794 9.127 1.00 0.00 C ATOM 791 OH TYR A 48 130.600 -3.961 10.262 1.00 0.00 O ATOM 0 H TYR A 48 131.566 -2.578 4.870 1.00 0.00 H new ATOM 0 HA TYR A 48 133.758 -1.107 5.800 1.00 0.00 H new ATOM 0 HB2 TYR A 48 133.486 -4.012 4.834 1.00 0.00 H new ATOM 0 HB3 TYR A 48 134.819 -3.445 5.820 1.00 0.00 H new ATOM 0 HD1 TYR A 48 134.402 -2.605 8.145 1.00 0.00 H new ATOM 0 HD2 TYR A 48 131.275 -4.344 5.770 1.00 0.00 H new ATOM 0 HE1 TYR A 48 133.020 -2.904 10.184 1.00 0.00 H new ATOM 0 HE2 TYR A 48 129.894 -4.646 7.807 1.00 0.00 H new ATOM 0 HH TYR A 48 129.683 -4.192 10.005 1.00 0.00 H new ATOM 801 N ASN A 49 134.287 -2.188 2.749 1.00 0.00 N ATOM 802 CA ASN A 49 135.176 -1.974 1.571 1.00 0.00 C ATOM 803 C ASN A 49 134.957 -0.584 0.994 1.00 0.00 C ATOM 804 O ASN A 49 134.130 -0.383 0.128 1.00 0.00 O ATOM 805 CB ASN A 49 134.773 -3.050 0.563 1.00 0.00 C ATOM 806 CG ASN A 49 135.952 -3.994 0.325 1.00 0.00 C ATOM 807 OD1 ASN A 49 135.957 -5.112 0.803 1.00 0.00 O ATOM 808 ND2 ASN A 49 136.959 -3.591 -0.400 1.00 0.00 N ATOM 0 H ASN A 49 133.497 -2.812 2.586 1.00 0.00 H new ATOM 0 HA ASN A 49 136.232 -2.044 1.833 1.00 0.00 H new ATOM 0 HB2 ASN A 49 133.915 -3.610 0.936 1.00 0.00 H new ATOM 0 HB3 ASN A 49 134.468 -2.588 -0.376 1.00 0.00 H new ATOM 0 HD21 ASN A 49 137.750 -4.214 -0.566 1.00 0.00 H new ATOM 0 HD22 ASN A 49 136.956 -2.653 -0.801 1.00 0.00 H new ATOM 815 N VAL A 50 135.736 0.346 1.473 1.00 0.00 N ATOM 816 CA VAL A 50 135.694 1.765 1.002 1.00 0.00 C ATOM 817 C VAL A 50 134.809 1.948 -0.238 1.00 0.00 C ATOM 818 O VAL A 50 133.850 2.695 -0.220 1.00 0.00 O ATOM 819 CB VAL A 50 137.160 2.092 0.673 1.00 0.00 C ATOM 820 CG1 VAL A 50 137.853 2.615 1.932 1.00 0.00 C ATOM 821 CG2 VAL A 50 137.908 0.833 0.171 1.00 0.00 C ATOM 0 H VAL A 50 136.429 0.175 2.202 1.00 0.00 H new ATOM 0 HA VAL A 50 135.262 2.423 1.756 1.00 0.00 H new ATOM 0 HB VAL A 50 137.179 2.846 -0.113 1.00 0.00 H new ATOM 0 HG11 VAL A 50 138.893 2.849 1.704 1.00 0.00 H new ATOM 0 HG12 VAL A 50 137.346 3.516 2.279 1.00 0.00 H new ATOM 0 HG13 VAL A 50 137.814 1.854 2.711 1.00 0.00 H new ATOM 0 HG21 VAL A 50 138.943 1.090 -0.055 1.00 0.00 H new ATOM 0 HG22 VAL A 50 137.886 0.064 0.944 1.00 0.00 H new ATOM 0 HG23 VAL A 50 137.423 0.456 -0.730 1.00 0.00 H new ATOM 831 N VAL A 51 135.118 1.274 -1.311 1.00 0.00 N ATOM 832 CA VAL A 51 134.289 1.417 -2.543 1.00 0.00 C ATOM 833 C VAL A 51 132.883 0.884 -2.296 1.00 0.00 C ATOM 834 O VAL A 51 131.908 1.606 -2.352 1.00 0.00 O ATOM 835 CB VAL A 51 134.988 0.552 -3.600 1.00 0.00 C ATOM 836 CG1 VAL A 51 133.975 0.102 -4.672 1.00 0.00 C ATOM 837 CG2 VAL A 51 136.101 1.367 -4.260 1.00 0.00 C ATOM 0 H VAL A 51 135.906 0.632 -1.389 1.00 0.00 H new ATOM 0 HA VAL A 51 134.198 2.458 -2.852 1.00 0.00 H new ATOM 0 HB VAL A 51 135.410 -0.331 -3.120 1.00 0.00 H new ATOM 0 HG11 VAL A 51 134.482 -0.511 -5.417 1.00 0.00 H new ATOM 0 HG12 VAL A 51 133.182 -0.480 -4.202 1.00 0.00 H new ATOM 0 HG13 VAL A 51 133.544 0.978 -5.156 1.00 0.00 H new ATOM 0 HG21 VAL A 51 136.601 0.757 -5.012 1.00 0.00 H new ATOM 0 HG22 VAL A 51 135.673 2.250 -4.735 1.00 0.00 H new ATOM 0 HG23 VAL A 51 136.823 1.676 -3.504 1.00 0.00 H new ATOM 847 N ALA A 52 132.788 -0.395 -2.074 1.00 0.00 N ATOM 848 CA ALA A 52 131.465 -1.034 -1.870 1.00 0.00 C ATOM 849 C ALA A 52 130.515 -0.104 -1.111 1.00 0.00 C ATOM 850 O ALA A 52 129.372 0.064 -1.482 1.00 0.00 O ATOM 851 CB ALA A 52 131.758 -2.286 -1.050 1.00 0.00 C ATOM 0 H ALA A 52 133.583 -1.032 -2.025 1.00 0.00 H new ATOM 0 HA ALA A 52 130.975 -1.264 -2.816 1.00 0.00 H new ATOM 0 HB1 ALA A 52 130.827 -2.819 -0.855 1.00 0.00 H new ATOM 0 HB2 ALA A 52 132.437 -2.933 -1.604 1.00 0.00 H new ATOM 0 HB3 ALA A 52 132.219 -2.002 -0.104 1.00 0.00 H new ATOM 857 N PHE A 53 130.977 0.495 -0.049 1.00 0.00 N ATOM 858 CA PHE A 53 130.101 1.411 0.734 1.00 0.00 C ATOM 859 C PHE A 53 129.529 2.508 -0.176 1.00 0.00 C ATOM 860 O PHE A 53 128.332 2.681 -0.278 1.00 0.00 O ATOM 861 CB PHE A 53 131.022 2.012 1.800 1.00 0.00 C ATOM 862 CG PHE A 53 130.424 3.291 2.331 1.00 0.00 C ATOM 863 CD1 PHE A 53 129.110 3.302 2.810 1.00 0.00 C ATOM 864 CD2 PHE A 53 131.182 4.463 2.336 1.00 0.00 C ATOM 865 CE1 PHE A 53 128.553 4.491 3.295 1.00 0.00 C ATOM 866 CE2 PHE A 53 130.628 5.654 2.822 1.00 0.00 C ATOM 867 CZ PHE A 53 129.313 5.666 3.302 1.00 0.00 C ATOM 0 H PHE A 53 131.925 0.390 0.311 1.00 0.00 H new ATOM 0 HA PHE A 53 129.247 0.897 1.175 1.00 0.00 H new ATOM 0 HB2 PHE A 53 131.164 1.301 2.614 1.00 0.00 H new ATOM 0 HB3 PHE A 53 132.006 2.209 1.374 1.00 0.00 H new ATOM 0 HD1 PHE A 53 128.526 2.394 2.806 1.00 0.00 H new ATOM 0 HD2 PHE A 53 132.196 4.451 1.965 1.00 0.00 H new ATOM 0 HE1 PHE A 53 127.538 4.502 3.663 1.00 0.00 H new ATOM 0 HE2 PHE A 53 131.214 6.561 2.826 1.00 0.00 H new ATOM 0 HZ PHE A 53 128.885 6.583 3.678 1.00 0.00 H new ATOM 877 N SER A 54 130.378 3.252 -0.831 1.00 0.00 N ATOM 878 CA SER A 54 129.882 4.337 -1.727 1.00 0.00 C ATOM 879 C SER A 54 128.844 3.782 -2.707 1.00 0.00 C ATOM 880 O SER A 54 127.859 4.425 -3.012 1.00 0.00 O ATOM 881 CB SER A 54 131.120 4.826 -2.479 1.00 0.00 C ATOM 882 OG SER A 54 131.649 3.759 -3.255 1.00 0.00 O ATOM 0 H SER A 54 131.392 3.156 -0.785 1.00 0.00 H new ATOM 0 HA SER A 54 129.397 5.140 -1.173 1.00 0.00 H new ATOM 0 HB2 SER A 54 130.860 5.666 -3.123 1.00 0.00 H new ATOM 0 HB3 SER A 54 131.870 5.185 -1.774 1.00 0.00 H new ATOM 0 HG SER A 54 132.065 3.098 -2.662 1.00 0.00 H new ATOM 888 N GLU A 55 129.061 2.596 -3.201 1.00 0.00 N ATOM 889 CA GLU A 55 128.089 1.998 -4.162 1.00 0.00 C ATOM 890 C GLU A 55 126.785 1.631 -3.444 1.00 0.00 C ATOM 891 O GLU A 55 125.717 1.642 -4.026 1.00 0.00 O ATOM 892 CB GLU A 55 128.786 0.741 -4.688 1.00 0.00 C ATOM 893 CG GLU A 55 130.235 1.071 -5.059 1.00 0.00 C ATOM 894 CD GLU A 55 130.458 0.787 -6.545 1.00 0.00 C ATOM 895 OE1 GLU A 55 129.481 0.752 -7.275 1.00 0.00 O ATOM 896 OE2 GLU A 55 131.603 0.609 -6.929 1.00 0.00 O ATOM 0 H GLU A 55 129.869 2.013 -2.982 1.00 0.00 H new ATOM 0 HA GLU A 55 127.822 2.686 -4.964 1.00 0.00 H new ATOM 0 HB2 GLU A 55 128.764 -0.043 -3.931 1.00 0.00 H new ATOM 0 HB3 GLU A 55 128.256 0.357 -5.560 1.00 0.00 H new ATOM 0 HG2 GLU A 55 130.448 2.118 -4.842 1.00 0.00 H new ATOM 0 HG3 GLU A 55 130.921 0.475 -4.457 1.00 0.00 H new ATOM 903 N ILE A 56 126.864 1.305 -2.183 1.00 0.00 N ATOM 904 CA ILE A 56 125.636 0.932 -1.420 1.00 0.00 C ATOM 905 C ILE A 56 124.843 2.187 -1.044 1.00 0.00 C ATOM 906 O ILE A 56 123.774 2.437 -1.568 1.00 0.00 O ATOM 907 CB ILE A 56 126.155 0.223 -0.169 1.00 0.00 C ATOM 908 CG1 ILE A 56 126.702 -1.152 -0.555 1.00 0.00 C ATOM 909 CG2 ILE A 56 125.016 0.052 0.840 1.00 0.00 C ATOM 910 CD1 ILE A 56 127.890 -1.500 0.344 1.00 0.00 C ATOM 0 H ILE A 56 127.730 1.280 -1.645 1.00 0.00 H new ATOM 0 HA ILE A 56 124.963 0.299 -1.998 1.00 0.00 H new ATOM 0 HB ILE A 56 126.948 0.821 0.281 1.00 0.00 H new ATOM 0 HG12 ILE A 56 125.922 -1.907 -0.453 1.00 0.00 H new ATOM 0 HG13 ILE A 56 127.011 -1.152 -1.600 1.00 0.00 H new ATOM 0 HG21 ILE A 56 125.391 -0.454 1.730 1.00 0.00 H new ATOM 0 HG22 ILE A 56 124.625 1.031 1.117 1.00 0.00 H new ATOM 0 HG23 ILE A 56 124.220 -0.543 0.393 1.00 0.00 H new ATOM 0 HD11 ILE A 56 128.280 -2.480 0.069 1.00 0.00 H new ATOM 0 HD12 ILE A 56 128.672 -0.751 0.220 1.00 0.00 H new ATOM 0 HD13 ILE A 56 127.566 -1.518 1.385 1.00 0.00 H new ATOM 922 N MET A 57 125.353 2.978 -0.141 1.00 0.00 N ATOM 923 CA MET A 57 124.624 4.215 0.264 1.00 0.00 C ATOM 924 C MET A 57 124.150 4.974 -0.977 1.00 0.00 C ATOM 925 O MET A 57 123.099 5.582 -0.981 1.00 0.00 O ATOM 926 CB MET A 57 125.650 5.042 1.038 1.00 0.00 C ATOM 927 CG MET A 57 124.933 6.150 1.812 1.00 0.00 C ATOM 928 SD MET A 57 124.562 5.575 3.487 1.00 0.00 S ATOM 929 CE MET A 57 124.413 7.205 4.258 1.00 0.00 C ATOM 0 H MET A 57 126.242 2.822 0.334 1.00 0.00 H new ATOM 0 HA MET A 57 123.740 3.999 0.863 1.00 0.00 H new ATOM 0 HB2 MET A 57 126.204 4.403 1.726 1.00 0.00 H new ATOM 0 HB3 MET A 57 126.377 5.475 0.351 1.00 0.00 H new ATOM 0 HG2 MET A 57 125.558 7.042 1.853 1.00 0.00 H new ATOM 0 HG3 MET A 57 124.012 6.429 1.300 1.00 0.00 H new ATOM 0 HE1 MET A 57 125.267 7.377 4.914 1.00 0.00 H new ATOM 0 HE2 MET A 57 124.389 7.973 3.484 1.00 0.00 H new ATOM 0 HE3 MET A 57 123.493 7.249 4.841 1.00 0.00 H new ATOM 939 N SER A 58 124.918 4.939 -2.032 1.00 0.00 N ATOM 940 CA SER A 58 124.509 5.656 -3.273 1.00 0.00 C ATOM 941 C SER A 58 123.140 5.156 -3.743 1.00 0.00 C ATOM 942 O SER A 58 122.185 5.903 -3.806 1.00 0.00 O ATOM 943 CB SER A 58 125.589 5.316 -4.300 1.00 0.00 C ATOM 944 OG SER A 58 125.230 5.866 -5.561 1.00 0.00 O ATOM 0 H SER A 58 125.809 4.446 -2.088 1.00 0.00 H new ATOM 0 HA SER A 58 124.418 6.731 -3.120 1.00 0.00 H new ATOM 0 HB2 SER A 58 126.551 5.714 -3.978 1.00 0.00 H new ATOM 0 HB3 SER A 58 125.702 4.235 -4.381 1.00 0.00 H new ATOM 0 HG SER A 58 125.922 5.651 -6.221 1.00 0.00 H new ATOM 950 N MET A 59 123.036 3.896 -4.070 1.00 0.00 N ATOM 951 CA MET A 59 121.724 3.355 -4.529 1.00 0.00 C ATOM 952 C MET A 59 120.662 3.575 -3.449 1.00 0.00 C ATOM 953 O MET A 59 119.485 3.676 -3.731 1.00 0.00 O ATOM 954 CB MET A 59 121.963 1.861 -4.749 1.00 0.00 C ATOM 955 CG MET A 59 122.871 1.662 -5.963 1.00 0.00 C ATOM 956 SD MET A 59 121.861 1.552 -7.462 1.00 0.00 S ATOM 957 CE MET A 59 123.151 0.911 -8.557 1.00 0.00 C ATOM 0 H MET A 59 123.799 3.220 -4.039 1.00 0.00 H new ATOM 0 HA MET A 59 121.368 3.845 -5.435 1.00 0.00 H new ATOM 0 HB2 MET A 59 122.421 1.421 -3.863 1.00 0.00 H new ATOM 0 HB3 MET A 59 121.013 1.349 -4.904 1.00 0.00 H new ATOM 0 HG2 MET A 59 123.573 2.492 -6.045 1.00 0.00 H new ATOM 0 HG3 MET A 59 123.463 0.754 -5.843 1.00 0.00 H new ATOM 0 HE1 MET A 59 122.898 1.142 -9.592 1.00 0.00 H new ATOM 0 HE2 MET A 59 124.105 1.374 -8.305 1.00 0.00 H new ATOM 0 HE3 MET A 59 123.228 -0.169 -8.435 1.00 0.00 H new ATOM 967 N ILE A 60 121.072 3.654 -2.213 1.00 0.00 N ATOM 968 CA ILE A 60 120.093 3.873 -1.112 1.00 0.00 C ATOM 969 C ILE A 60 119.560 5.311 -1.166 1.00 0.00 C ATOM 970 O ILE A 60 118.435 5.578 -0.797 1.00 0.00 O ATOM 971 CB ILE A 60 120.895 3.600 0.174 1.00 0.00 C ATOM 972 CG1 ILE A 60 120.561 2.196 0.684 1.00 0.00 C ATOM 973 CG2 ILE A 60 120.550 4.623 1.263 1.00 0.00 C ATOM 974 CD1 ILE A 60 121.851 1.466 1.062 1.00 0.00 C ATOM 0 H ILE A 60 122.045 3.576 -1.918 1.00 0.00 H new ATOM 0 HA ILE A 60 119.217 3.227 -1.176 1.00 0.00 H new ATOM 0 HB ILE A 60 121.958 3.680 -0.056 1.00 0.00 H new ATOM 0 HG12 ILE A 60 119.901 2.260 1.549 1.00 0.00 H new ATOM 0 HG13 ILE A 60 120.027 1.637 -0.084 1.00 0.00 H new ATOM 0 HG21 ILE A 60 121.130 4.408 2.161 1.00 0.00 H new ATOM 0 HG22 ILE A 60 120.788 5.626 0.909 1.00 0.00 H new ATOM 0 HG23 ILE A 60 119.487 4.563 1.495 1.00 0.00 H new ATOM 0 HD11 ILE A 60 121.611 0.467 1.425 1.00 0.00 H new ATOM 0 HD12 ILE A 60 122.495 1.389 0.186 1.00 0.00 H new ATOM 0 HD13 ILE A 60 122.368 2.022 1.845 1.00 0.00 H new ATOM 986 N TRP A 61 120.361 6.235 -1.620 1.00 0.00 N ATOM 987 CA TRP A 61 119.900 7.653 -1.695 1.00 0.00 C ATOM 988 C TRP A 61 118.981 7.852 -2.904 1.00 0.00 C ATOM 989 O TRP A 61 117.965 8.513 -2.821 1.00 0.00 O ATOM 990 CB TRP A 61 121.178 8.476 -1.859 1.00 0.00 C ATOM 991 CG TRP A 61 121.884 8.581 -0.546 1.00 0.00 C ATOM 992 CD1 TRP A 61 123.194 8.314 -0.345 1.00 0.00 C ATOM 993 CD2 TRP A 61 121.344 8.976 0.749 1.00 0.00 C ATOM 994 NE1 TRP A 61 123.494 8.521 0.989 1.00 0.00 N ATOM 995 CE2 TRP A 61 122.386 8.929 1.704 1.00 0.00 C ATOM 996 CE3 TRP A 61 120.064 9.366 1.182 1.00 0.00 C ATOM 997 CZ2 TRP A 61 122.167 9.259 3.043 1.00 0.00 C ATOM 998 CZ3 TRP A 61 119.839 9.698 2.528 1.00 0.00 C ATOM 999 CH2 TRP A 61 120.888 9.644 3.457 1.00 0.00 C ATOM 0 H TRP A 61 121.315 6.071 -1.943 1.00 0.00 H new ATOM 0 HA TRP A 61 119.332 7.947 -0.812 1.00 0.00 H new ATOM 0 HB2 TRP A 61 121.830 8.009 -2.597 1.00 0.00 H new ATOM 0 HB3 TRP A 61 120.935 9.471 -2.233 1.00 0.00 H new ATOM 0 HD1 TRP A 61 123.893 7.992 -1.103 1.00 0.00 H new ATOM 0 HE1 TRP A 61 124.420 8.388 1.395 1.00 0.00 H new ATOM 0 HE3 TRP A 61 119.249 9.410 0.475 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 122.979 9.217 3.754 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 118.852 9.997 2.849 1.00 0.00 H new ATOM 0 HH2 TRP A 61 120.708 9.899 4.491 1.00 0.00 H new ATOM 1010 N LYS A 62 119.335 7.292 -4.028 1.00 0.00 N ATOM 1011 CA LYS A 62 118.488 7.456 -5.245 1.00 0.00 C ATOM 1012 C LYS A 62 117.073 6.924 -4.993 1.00 0.00 C ATOM 1013 O LYS A 62 116.102 7.649 -5.083 1.00 0.00 O ATOM 1014 CB LYS A 62 119.185 6.629 -6.325 1.00 0.00 C ATOM 1015 CG LYS A 62 119.682 7.555 -7.438 1.00 0.00 C ATOM 1016 CD LYS A 62 121.125 7.975 -7.147 1.00 0.00 C ATOM 1017 CE LYS A 62 122.079 6.853 -7.562 1.00 0.00 C ATOM 1018 NZ LYS A 62 122.361 7.099 -9.004 1.00 0.00 N ATOM 0 H LYS A 62 120.175 6.727 -4.157 1.00 0.00 H new ATOM 0 HA LYS A 62 118.383 8.502 -5.532 1.00 0.00 H new ATOM 0 HB2 LYS A 62 120.022 6.080 -5.894 1.00 0.00 H new ATOM 0 HB3 LYS A 62 118.496 5.890 -6.733 1.00 0.00 H new ATOM 0 HG2 LYS A 62 119.627 7.046 -8.400 1.00 0.00 H new ATOM 0 HG3 LYS A 62 119.043 8.435 -7.506 1.00 0.00 H new ATOM 0 HD2 LYS A 62 121.365 8.889 -7.690 1.00 0.00 H new ATOM 0 HD3 LYS A 62 121.244 8.194 -6.086 1.00 0.00 H new ATOM 0 HE2 LYS A 62 122.995 6.875 -6.972 1.00 0.00 H new ATOM 0 HE3 LYS A 62 121.626 5.873 -7.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 123.010 6.368 -9.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 121.472 7.065 -9.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 122.799 8.036 -9.117 1.00 0.00 H new ATOM 1032 N ARG A 63 116.948 5.662 -4.683 1.00 0.00 N ATOM 1033 CA ARG A 63 115.594 5.086 -4.434 1.00 0.00 C ATOM 1034 C ARG A 63 114.965 5.710 -3.185 1.00 0.00 C ATOM 1035 O ARG A 63 113.786 5.559 -2.932 1.00 0.00 O ATOM 1036 CB ARG A 63 115.833 3.590 -4.221 1.00 0.00 C ATOM 1037 CG ARG A 63 116.720 3.047 -5.343 1.00 0.00 C ATOM 1038 CD ARG A 63 116.098 1.771 -5.913 1.00 0.00 C ATOM 1039 NE ARG A 63 116.595 1.693 -7.314 1.00 0.00 N ATOM 1040 CZ ARG A 63 116.288 2.630 -8.168 1.00 0.00 C ATOM 1041 NH1 ARG A 63 115.298 3.442 -7.916 1.00 0.00 N ATOM 1042 NH2 ARG A 63 116.970 2.757 -9.273 1.00 0.00 N ATOM 0 H ARG A 63 117.723 5.005 -4.591 1.00 0.00 H new ATOM 0 HA ARG A 63 114.910 5.279 -5.260 1.00 0.00 H new ATOM 0 HB2 ARG A 63 116.308 3.421 -3.254 1.00 0.00 H new ATOM 0 HB3 ARG A 63 114.882 3.058 -4.206 1.00 0.00 H new ATOM 0 HG2 ARG A 63 116.828 3.794 -6.129 1.00 0.00 H new ATOM 0 HG3 ARG A 63 117.720 2.838 -4.962 1.00 0.00 H new ATOM 0 HD2 ARG A 63 116.398 0.895 -5.338 1.00 0.00 H new ATOM 0 HD3 ARG A 63 115.009 1.815 -5.882 1.00 0.00 H new ATOM 0 HE ARG A 63 117.176 0.907 -7.606 1.00 0.00 H new ATOM 0 HH11 ARG A 63 114.765 3.344 -7.052 1.00 0.00 H new ATOM 0 HH12 ARG A 63 115.057 4.175 -8.583 1.00 0.00 H new ATOM 0 HH21 ARG A 63 117.744 2.123 -9.470 1.00 0.00 H new ATOM 0 HH22 ARG A 63 116.729 3.490 -9.940 1.00 0.00 H new ATOM 1056 N LEU A 64 115.740 6.406 -2.400 1.00 0.00 N ATOM 1057 CA LEU A 64 115.180 7.034 -1.167 1.00 0.00 C ATOM 1058 C LEU A 64 114.346 8.263 -1.522 1.00 0.00 C ATOM 1059 O LEU A 64 113.613 8.785 -0.704 1.00 0.00 O ATOM 1060 CB LEU A 64 116.398 7.446 -0.344 1.00 0.00 C ATOM 1061 CG LEU A 64 116.479 6.577 0.910 1.00 0.00 C ATOM 1062 CD1 LEU A 64 117.681 7.005 1.757 1.00 0.00 C ATOM 1063 CD2 LEU A 64 115.192 6.748 1.722 1.00 0.00 C ATOM 0 H LEU A 64 116.735 6.568 -2.557 1.00 0.00 H new ATOM 0 HA LEU A 64 114.526 6.351 -0.625 1.00 0.00 H new ATOM 0 HB2 LEU A 64 117.306 7.335 -0.937 1.00 0.00 H new ATOM 0 HB3 LEU A 64 116.325 8.498 -0.067 1.00 0.00 H new ATOM 0 HG LEU A 64 116.597 5.532 0.624 1.00 0.00 H new ATOM 0 HD11 LEU A 64 117.736 6.383 2.651 1.00 0.00 H new ATOM 0 HD12 LEU A 64 118.596 6.887 1.176 1.00 0.00 H new ATOM 0 HD13 LEU A 64 117.568 8.049 2.048 1.00 0.00 H new ATOM 0 HD21 LEU A 64 115.243 6.130 2.619 1.00 0.00 H new ATOM 0 HD22 LEU A 64 115.078 7.794 2.008 1.00 0.00 H new ATOM 0 HD23 LEU A 64 114.338 6.442 1.118 1.00 0.00 H new ATOM 1075 N ASN A 65 114.454 8.738 -2.730 1.00 0.00 N ATOM 1076 CA ASN A 65 113.672 9.937 -3.127 1.00 0.00 C ATOM 1077 C ASN A 65 112.549 9.546 -4.088 1.00 0.00 C ATOM 1078 O ASN A 65 112.255 10.252 -5.032 1.00 0.00 O ATOM 1079 CB ASN A 65 114.678 10.856 -3.820 1.00 0.00 C ATOM 1080 CG ASN A 65 114.133 12.285 -3.844 1.00 0.00 C ATOM 1081 OD1 ASN A 65 112.981 12.504 -4.164 1.00 0.00 O ATOM 1082 ND2 ASN A 65 114.918 13.275 -3.515 1.00 0.00 N ATOM 0 H ASN A 65 115.051 8.347 -3.459 1.00 0.00 H new ATOM 0 HA ASN A 65 113.200 10.421 -2.272 1.00 0.00 H new ATOM 0 HB2 ASN A 65 115.633 10.829 -3.295 1.00 0.00 H new ATOM 0 HB3 ASN A 65 114.863 10.509 -4.837 1.00 0.00 H new ATOM 0 HD21 ASN A 65 114.564 14.232 -3.527 1.00 0.00 H new ATOM 0 HD22 ASN A 65 115.885 13.092 -3.246 1.00 0.00 H new ATOM 1161 N TRP A 71 106.117 5.032 -2.893 1.00 0.00 N ATOM 1162 CA TRP A 71 106.983 5.321 -1.713 1.00 0.00 C ATOM 1163 C TRP A 71 107.521 4.015 -1.123 1.00 0.00 C ATOM 1164 O TRP A 71 108.433 4.014 -0.322 1.00 0.00 O ATOM 1165 CB TRP A 71 106.066 6.026 -0.713 1.00 0.00 C ATOM 1166 CG TRP A 71 104.880 5.162 -0.429 1.00 0.00 C ATOM 1167 CD1 TRP A 71 103.630 5.378 -0.900 1.00 0.00 C ATOM 1168 CD2 TRP A 71 104.810 3.950 0.379 1.00 0.00 C ATOM 1169 NE1 TRP A 71 102.797 4.377 -0.432 1.00 0.00 N ATOM 1170 CE2 TRP A 71 103.478 3.473 0.359 1.00 0.00 C ATOM 1171 CE3 TRP A 71 105.763 3.227 1.117 1.00 0.00 C ATOM 1172 CZ2 TRP A 71 103.105 2.319 1.050 1.00 0.00 C ATOM 1173 CZ3 TRP A 71 105.391 2.065 1.813 1.00 0.00 C ATOM 1174 CH2 TRP A 71 104.064 1.612 1.779 1.00 0.00 C ATOM 0 HA TRP A 71 107.848 5.932 -1.972 1.00 0.00 H new ATOM 0 HB2 TRP A 71 106.608 6.233 0.210 1.00 0.00 H new ATOM 0 HB3 TRP A 71 105.742 6.986 -1.115 1.00 0.00 H new ATOM 0 HD1 TRP A 71 103.331 6.197 -1.537 1.00 0.00 H new ATOM 0 HE1 TRP A 71 101.802 4.315 -0.645 1.00 0.00 H new ATOM 0 HE3 TRP A 71 106.788 3.567 1.149 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 102.082 1.975 1.021 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 106.131 1.517 2.378 1.00 0.00 H new ATOM 0 HH2 TRP A 71 103.784 0.718 2.316 1.00 0.00 H new ATOM 1185 N ARG A 72 106.964 2.902 -1.516 1.00 0.00 N ATOM 1186 CA ARG A 72 107.447 1.598 -0.977 1.00 0.00 C ATOM 1187 C ARG A 72 108.968 1.507 -1.116 1.00 0.00 C ATOM 1188 O ARG A 72 109.660 1.078 -0.213 1.00 0.00 O ATOM 1189 CB ARG A 72 106.763 0.535 -1.837 1.00 0.00 C ATOM 1190 CG ARG A 72 105.611 -0.094 -1.053 1.00 0.00 C ATOM 1191 CD ARG A 72 105.029 -1.265 -1.849 1.00 0.00 C ATOM 1192 NE ARG A 72 104.351 -2.120 -0.836 1.00 0.00 N ATOM 1193 CZ ARG A 72 103.863 -3.279 -1.182 1.00 0.00 C ATOM 1194 NH1 ARG A 72 103.200 -3.402 -2.299 1.00 0.00 N ATOM 1195 NH2 ARG A 72 104.038 -4.317 -0.409 1.00 0.00 N ATOM 0 H ARG A 72 106.197 2.839 -2.185 1.00 0.00 H new ATOM 0 HA ARG A 72 107.215 1.473 0.081 1.00 0.00 H new ATOM 0 HB2 ARG A 72 106.388 0.983 -2.757 1.00 0.00 H new ATOM 0 HB3 ARG A 72 107.482 -0.232 -2.125 1.00 0.00 H new ATOM 0 HG2 ARG A 72 105.965 -0.441 -0.082 1.00 0.00 H new ATOM 0 HG3 ARG A 72 104.838 0.650 -0.863 1.00 0.00 H new ATOM 0 HD2 ARG A 72 104.326 -0.917 -2.606 1.00 0.00 H new ATOM 0 HD3 ARG A 72 105.812 -1.816 -2.370 1.00 0.00 H new ATOM 0 HE ARG A 72 104.268 -1.799 0.129 1.00 0.00 H new ATOM 0 HH11 ARG A 72 103.063 -2.591 -2.903 1.00 0.00 H new ATOM 0 HH12 ARG A 72 102.819 -4.309 -2.569 1.00 0.00 H new ATOM 0 HH21 ARG A 72 104.556 -4.221 0.464 1.00 0.00 H new ATOM 0 HH22 ARG A 72 103.657 -5.224 -0.679 1.00 0.00 H new ATOM 1209 N HIS A 73 109.494 1.915 -2.239 1.00 0.00 N ATOM 1210 CA HIS A 73 110.971 1.858 -2.434 1.00 0.00 C ATOM 1211 C HIS A 73 111.674 2.601 -1.296 1.00 0.00 C ATOM 1212 O HIS A 73 112.695 2.171 -0.798 1.00 0.00 O ATOM 1213 CB HIS A 73 111.222 2.557 -3.770 1.00 0.00 C ATOM 1214 CG HIS A 73 111.373 1.525 -4.854 1.00 0.00 C ATOM 1215 ND1 HIS A 73 111.461 1.869 -6.193 1.00 0.00 N ATOM 1216 CD2 HIS A 73 111.452 0.156 -4.813 1.00 0.00 C ATOM 1217 CE1 HIS A 73 111.587 0.730 -6.897 1.00 0.00 C ATOM 1218 NE2 HIS A 73 111.587 -0.345 -6.103 1.00 0.00 N ATOM 0 H HIS A 73 108.965 2.285 -3.029 1.00 0.00 H new ATOM 0 HA HIS A 73 111.353 0.837 -2.435 1.00 0.00 H new ATOM 0 HB2 HIS A 73 110.395 3.227 -4.003 1.00 0.00 H new ATOM 0 HB3 HIS A 73 112.121 3.170 -3.709 1.00 0.00 H new ATOM 0 HD2 HIS A 73 111.415 -0.442 -3.915 1.00 0.00 H new ATOM 0 HE1 HIS A 73 111.677 0.689 -7.972 1.00 0.00 H new ATOM 0 HE2 HIS A 73 111.668 -1.322 -6.383 1.00 0.00 H new ATOM 1226 N VAL A 74 111.130 3.712 -0.877 1.00 0.00 N ATOM 1227 CA VAL A 74 111.761 4.478 0.234 1.00 0.00 C ATOM 1228 C VAL A 74 111.812 3.613 1.495 1.00 0.00 C ATOM 1229 O VAL A 74 112.844 3.462 2.115 1.00 0.00 O ATOM 1230 CB VAL A 74 110.849 5.684 0.452 1.00 0.00 C ATOM 1231 CG1 VAL A 74 111.222 6.370 1.768 1.00 0.00 C ATOM 1232 CG2 VAL A 74 111.014 6.672 -0.708 1.00 0.00 C ATOM 0 H VAL A 74 110.276 4.121 -1.256 1.00 0.00 H new ATOM 0 HA VAL A 74 112.783 4.778 0.005 1.00 0.00 H new ATOM 0 HB VAL A 74 109.812 5.352 0.495 1.00 0.00 H new ATOM 0 HG11 VAL A 74 110.573 7.231 1.926 1.00 0.00 H new ATOM 0 HG12 VAL A 74 111.100 5.667 2.592 1.00 0.00 H new ATOM 0 HG13 VAL A 74 112.260 6.701 1.724 1.00 0.00 H new ATOM 0 HG21 VAL A 74 110.362 7.531 -0.550 1.00 0.00 H new ATOM 0 HG22 VAL A 74 112.050 7.007 -0.756 1.00 0.00 H new ATOM 0 HG23 VAL A 74 110.747 6.182 -1.644 1.00 0.00 H new ATOM 1242 N TYR A 75 110.700 3.042 1.875 1.00 0.00 N ATOM 1243 CA TYR A 75 110.678 2.181 3.093 1.00 0.00 C ATOM 1244 C TYR A 75 111.924 1.293 3.137 1.00 0.00 C ATOM 1245 O TYR A 75 112.727 1.377 4.045 1.00 0.00 O ATOM 1246 CB TYR A 75 109.418 1.329 2.950 1.00 0.00 C ATOM 1247 CG TYR A 75 108.877 0.990 4.317 1.00 0.00 C ATOM 1248 CD1 TYR A 75 108.649 2.007 5.251 1.00 0.00 C ATOM 1249 CD2 TYR A 75 108.605 -0.342 4.651 1.00 0.00 C ATOM 1250 CE1 TYR A 75 108.148 1.693 6.519 1.00 0.00 C ATOM 1251 CE2 TYR A 75 108.104 -0.657 5.920 1.00 0.00 C ATOM 1252 CZ TYR A 75 107.875 0.360 6.854 1.00 0.00 C ATOM 1253 OH TYR A 75 107.381 0.050 8.105 1.00 0.00 O ATOM 0 H TYR A 75 109.805 3.135 1.394 1.00 0.00 H new ATOM 0 HA TYR A 75 110.674 2.766 4.013 1.00 0.00 H new ATOM 0 HB2 TYR A 75 108.666 1.868 2.374 1.00 0.00 H new ATOM 0 HB3 TYR A 75 109.645 0.415 2.401 1.00 0.00 H new ATOM 0 HD1 TYR A 75 108.860 3.034 4.993 1.00 0.00 H new ATOM 0 HD2 TYR A 75 108.782 -1.126 3.930 1.00 0.00 H new ATOM 0 HE1 TYR A 75 107.972 2.478 7.240 1.00 0.00 H new ATOM 0 HE2 TYR A 75 107.894 -1.685 6.178 1.00 0.00 H new ATOM 0 HH TYR A 75 107.246 -0.918 8.173 1.00 0.00 H new ATOM 1263 N LYS A 76 112.092 0.443 2.160 1.00 0.00 N ATOM 1264 CA LYS A 76 113.287 -0.449 2.146 1.00 0.00 C ATOM 1265 C LYS A 76 114.567 0.384 2.043 1.00 0.00 C ATOM 1266 O LYS A 76 115.614 -0.008 2.518 1.00 0.00 O ATOM 1267 CB LYS A 76 113.113 -1.324 0.903 1.00 0.00 C ATOM 1268 CG LYS A 76 111.773 -2.060 0.981 1.00 0.00 C ATOM 1269 CD LYS A 76 112.020 -3.569 1.035 1.00 0.00 C ATOM 1270 CE LYS A 76 112.754 -3.921 2.332 1.00 0.00 C ATOM 1271 NZ LYS A 76 111.737 -4.609 3.175 1.00 0.00 N ATOM 0 H LYS A 76 111.455 0.328 1.372 1.00 0.00 H new ATOM 0 HA LYS A 76 113.369 -1.045 3.055 1.00 0.00 H new ATOM 0 HB2 LYS A 76 113.150 -0.709 0.004 1.00 0.00 H new ATOM 0 HB3 LYS A 76 113.931 -2.041 0.833 1.00 0.00 H new ATOM 0 HG2 LYS A 76 111.221 -1.740 1.865 1.00 0.00 H new ATOM 0 HG3 LYS A 76 111.159 -1.812 0.115 1.00 0.00 H new ATOM 0 HD2 LYS A 76 111.072 -4.105 0.984 1.00 0.00 H new ATOM 0 HD3 LYS A 76 112.610 -3.883 0.174 1.00 0.00 H new ATOM 0 HE2 LYS A 76 113.609 -4.568 2.138 1.00 0.00 H new ATOM 0 HE3 LYS A 76 113.136 -3.027 2.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 112.165 -4.882 4.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 110.938 -3.967 3.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 111.397 -5.460 2.683 1.00 0.00 H new ATOM 1285 N ALA A 77 114.492 1.533 1.428 1.00 0.00 N ATOM 1286 CA ALA A 77 115.706 2.389 1.298 1.00 0.00 C ATOM 1287 C ALA A 77 116.224 2.783 2.682 1.00 0.00 C ATOM 1288 O ALA A 77 117.260 2.327 3.122 1.00 0.00 O ATOM 1289 CB ALA A 77 115.239 3.625 0.528 1.00 0.00 C ATOM 0 H ALA A 77 113.644 1.916 1.010 1.00 0.00 H new ATOM 0 HA ALA A 77 116.521 1.876 0.788 1.00 0.00 H new ATOM 0 HB1 ALA A 77 116.078 4.307 0.391 1.00 0.00 H new ATOM 0 HB2 ALA A 77 114.854 3.323 -0.446 1.00 0.00 H new ATOM 0 HB3 ALA A 77 114.451 4.127 1.090 1.00 0.00 H new ATOM 1295 N MET A 78 115.507 3.625 3.370 1.00 0.00 N ATOM 1296 CA MET A 78 115.954 4.050 4.728 1.00 0.00 C ATOM 1297 C MET A 78 116.290 2.821 5.578 1.00 0.00 C ATOM 1298 O MET A 78 117.093 2.885 6.487 1.00 0.00 O ATOM 1299 CB MET A 78 114.766 4.809 5.321 1.00 0.00 C ATOM 1300 CG MET A 78 113.484 4.002 5.117 1.00 0.00 C ATOM 1301 SD MET A 78 112.182 4.665 6.185 1.00 0.00 S ATOM 1302 CE MET A 78 111.207 5.466 4.887 1.00 0.00 C ATOM 0 H MET A 78 114.630 4.038 3.052 1.00 0.00 H new ATOM 0 HA MET A 78 116.851 4.669 4.694 1.00 0.00 H new ATOM 0 HB2 MET A 78 114.930 4.987 6.384 1.00 0.00 H new ATOM 0 HB3 MET A 78 114.672 5.785 4.845 1.00 0.00 H new ATOM 0 HG2 MET A 78 113.173 4.049 4.073 1.00 0.00 H new ATOM 0 HG3 MET A 78 113.661 2.952 5.349 1.00 0.00 H new ATOM 0 HE1 MET A 78 110.712 6.347 5.295 1.00 0.00 H new ATOM 0 HE2 MET A 78 111.864 5.764 4.070 1.00 0.00 H new ATOM 0 HE3 MET A 78 110.457 4.769 4.513 1.00 0.00 H new ATOM 1312 N THR A 79 115.684 1.701 5.286 1.00 0.00 N ATOM 1313 CA THR A 79 115.976 0.470 6.075 1.00 0.00 C ATOM 1314 C THR A 79 117.418 0.025 5.832 1.00 0.00 C ATOM 1315 O THR A 79 118.154 -0.268 6.754 1.00 0.00 O ATOM 1316 CB THR A 79 114.993 -0.579 5.554 1.00 0.00 C ATOM 1317 OG1 THR A 79 113.665 -0.087 5.683 1.00 0.00 O ATOM 1318 CG2 THR A 79 115.142 -1.867 6.363 1.00 0.00 C ATOM 0 H THR A 79 115.001 1.586 4.537 1.00 0.00 H new ATOM 0 HA THR A 79 115.867 0.628 7.148 1.00 0.00 H new ATOM 0 HB THR A 79 115.204 -0.786 4.505 1.00 0.00 H new ATOM 0 HG1 THR A 79 113.326 0.174 4.801 1.00 0.00 H new ATOM 0 HG21 THR A 79 114.441 -2.614 5.991 1.00 0.00 H new ATOM 0 HG22 THR A 79 116.160 -2.244 6.263 1.00 0.00 H new ATOM 0 HG23 THR A 79 114.932 -1.664 7.413 1.00 0.00 H new ATOM 1326 N LEU A 80 117.826 -0.021 4.597 1.00 0.00 N ATOM 1327 CA LEU A 80 119.223 -0.438 4.285 1.00 0.00 C ATOM 1328 C LEU A 80 120.210 0.575 4.869 1.00 0.00 C ATOM 1329 O LEU A 80 121.319 0.238 5.230 1.00 0.00 O ATOM 1330 CB LEU A 80 119.305 -0.450 2.758 1.00 0.00 C ATOM 1331 CG LEU A 80 120.590 -1.155 2.323 1.00 0.00 C ATOM 1332 CD1 LEU A 80 120.679 -2.520 3.007 1.00 0.00 C ATOM 1333 CD2 LEU A 80 120.581 -1.345 0.805 1.00 0.00 C ATOM 0 H LEU A 80 117.252 0.212 3.786 1.00 0.00 H new ATOM 0 HA LEU A 80 119.471 -1.411 4.710 1.00 0.00 H new ATOM 0 HB2 LEU A 80 118.438 -0.961 2.340 1.00 0.00 H new ATOM 0 HB3 LEU A 80 119.289 0.570 2.374 1.00 0.00 H new ATOM 0 HG LEU A 80 121.450 -0.549 2.607 1.00 0.00 H new ATOM 0 HD11 LEU A 80 121.595 -3.023 2.697 1.00 0.00 H new ATOM 0 HD12 LEU A 80 120.687 -2.385 4.089 1.00 0.00 H new ATOM 0 HD13 LEU A 80 119.818 -3.126 2.723 1.00 0.00 H new ATOM 0 HD21 LEU A 80 121.497 -1.848 0.496 1.00 0.00 H new ATOM 0 HD22 LEU A 80 119.721 -1.950 0.519 1.00 0.00 H new ATOM 0 HD23 LEU A 80 120.518 -0.372 0.317 1.00 0.00 H new ATOM 1345 N MET A 81 119.810 1.812 4.972 1.00 0.00 N ATOM 1346 CA MET A 81 120.723 2.842 5.541 1.00 0.00 C ATOM 1347 C MET A 81 120.873 2.629 7.048 1.00 0.00 C ATOM 1348 O MET A 81 121.925 2.844 7.615 1.00 0.00 O ATOM 1349 CB MET A 81 120.044 4.181 5.247 1.00 0.00 C ATOM 1350 CG MET A 81 120.814 5.309 5.937 1.00 0.00 C ATOM 1351 SD MET A 81 120.920 6.735 4.827 1.00 0.00 S ATOM 1352 CE MET A 81 119.181 7.227 4.917 1.00 0.00 C ATOM 0 H MET A 81 118.892 2.154 4.687 1.00 0.00 H new ATOM 0 HA MET A 81 121.724 2.796 5.112 1.00 0.00 H new ATOM 0 HB2 MET A 81 120.010 4.355 4.171 1.00 0.00 H new ATOM 0 HB3 MET A 81 119.013 4.162 5.599 1.00 0.00 H new ATOM 0 HG2 MET A 81 120.313 5.592 6.863 1.00 0.00 H new ATOM 0 HG3 MET A 81 121.814 4.969 6.206 1.00 0.00 H new ATOM 0 HE1 MET A 81 119.023 8.117 4.307 1.00 0.00 H new ATOM 0 HE2 MET A 81 118.554 6.416 4.546 1.00 0.00 H new ATOM 0 HE3 MET A 81 118.918 7.445 5.952 1.00 0.00 H new ATOM 1362 N GLU A 82 119.828 2.204 7.699 1.00 0.00 N ATOM 1363 CA GLU A 82 119.907 1.973 9.171 1.00 0.00 C ATOM 1364 C GLU A 82 120.769 0.744 9.468 1.00 0.00 C ATOM 1365 O GLU A 82 121.737 0.812 10.198 1.00 0.00 O ATOM 1366 CB GLU A 82 118.462 1.731 9.612 1.00 0.00 C ATOM 1367 CG GLU A 82 118.414 1.566 11.132 1.00 0.00 C ATOM 1368 CD GLU A 82 117.029 1.068 11.549 1.00 0.00 C ATOM 1369 OE1 GLU A 82 116.062 1.482 10.931 1.00 0.00 O ATOM 1370 OE2 GLU A 82 116.959 0.282 12.480 1.00 0.00 O ATOM 0 H GLU A 82 118.921 2.006 7.277 1.00 0.00 H new ATOM 0 HA GLU A 82 120.360 2.814 9.697 1.00 0.00 H new ATOM 0 HB2 GLU A 82 117.832 2.566 9.306 1.00 0.00 H new ATOM 0 HB3 GLU A 82 118.067 0.839 9.126 1.00 0.00 H new ATOM 0 HG2 GLU A 82 119.179 0.860 11.456 1.00 0.00 H new ATOM 0 HG3 GLU A 82 118.632 2.517 11.618 1.00 0.00 H new ATOM 1377 N TYR A 83 120.419 -0.382 8.910 1.00 0.00 N ATOM 1378 CA TYR A 83 121.205 -1.620 9.156 1.00 0.00 C ATOM 1379 C TYR A 83 122.690 -1.386 8.866 1.00 0.00 C ATOM 1380 O TYR A 83 123.551 -1.791 9.621 1.00 0.00 O ATOM 1381 CB TYR A 83 120.629 -2.639 8.177 1.00 0.00 C ATOM 1382 CG TYR A 83 121.275 -3.978 8.414 1.00 0.00 C ATOM 1383 CD1 TYR A 83 122.526 -4.261 7.854 1.00 0.00 C ATOM 1384 CD2 TYR A 83 120.622 -4.936 9.192 1.00 0.00 C ATOM 1385 CE1 TYR A 83 123.125 -5.507 8.076 1.00 0.00 C ATOM 1386 CE2 TYR A 83 121.219 -6.182 9.415 1.00 0.00 C ATOM 1387 CZ TYR A 83 122.471 -6.468 8.856 1.00 0.00 C ATOM 1388 OH TYR A 83 123.061 -7.696 9.075 1.00 0.00 O ATOM 0 H TYR A 83 119.617 -0.497 8.290 1.00 0.00 H new ATOM 0 HA TYR A 83 121.139 -1.950 10.193 1.00 0.00 H new ATOM 0 HB2 TYR A 83 119.549 -2.715 8.307 1.00 0.00 H new ATOM 0 HB3 TYR A 83 120.804 -2.314 7.151 1.00 0.00 H new ATOM 0 HD1 TYR A 83 123.029 -3.519 7.251 1.00 0.00 H new ATOM 0 HD2 TYR A 83 119.656 -4.715 9.622 1.00 0.00 H new ATOM 0 HE1 TYR A 83 124.091 -5.727 7.646 1.00 0.00 H new ATOM 0 HE2 TYR A 83 120.715 -6.923 10.018 1.00 0.00 H new ATOM 0 HH TYR A 83 122.475 -8.245 9.637 1.00 0.00 H new ATOM 1398 N LEU A 84 122.997 -0.748 7.772 1.00 0.00 N ATOM 1399 CA LEU A 84 124.426 -0.503 7.428 1.00 0.00 C ATOM 1400 C LEU A 84 125.026 0.577 8.334 1.00 0.00 C ATOM 1401 O LEU A 84 126.207 0.570 8.617 1.00 0.00 O ATOM 1402 CB LEU A 84 124.403 -0.046 5.971 1.00 0.00 C ATOM 1403 CG LEU A 84 123.682 -1.095 5.120 1.00 0.00 C ATOM 1404 CD1 LEU A 84 123.511 -0.567 3.695 1.00 0.00 C ATOM 1405 CD2 LEU A 84 124.503 -2.385 5.090 1.00 0.00 C ATOM 0 H LEU A 84 122.320 -0.385 7.100 1.00 0.00 H new ATOM 0 HA LEU A 84 125.042 -1.391 7.567 1.00 0.00 H new ATOM 0 HB2 LEU A 84 123.897 0.916 5.888 1.00 0.00 H new ATOM 0 HB3 LEU A 84 125.420 0.097 5.607 1.00 0.00 H new ATOM 0 HG LEU A 84 122.703 -1.299 5.553 1.00 0.00 H new ATOM 0 HD11 LEU A 84 122.998 -1.314 3.089 1.00 0.00 H new ATOM 0 HD12 LEU A 84 122.923 0.350 3.715 1.00 0.00 H new ATOM 0 HD13 LEU A 84 124.490 -0.361 3.263 1.00 0.00 H new ATOM 0 HD21 LEU A 84 123.988 -3.130 4.484 1.00 0.00 H new ATOM 0 HD22 LEU A 84 125.484 -2.182 4.660 1.00 0.00 H new ATOM 0 HD23 LEU A 84 124.623 -2.763 6.105 1.00 0.00 H new ATOM 1417 N ILE A 85 124.232 1.504 8.797 1.00 0.00 N ATOM 1418 CA ILE A 85 124.782 2.569 9.686 1.00 0.00 C ATOM 1419 C ILE A 85 125.357 1.933 10.957 1.00 0.00 C ATOM 1420 O ILE A 85 126.083 2.559 11.704 1.00 0.00 O ATOM 1421 CB ILE A 85 123.589 3.476 10.012 1.00 0.00 C ATOM 1422 CG1 ILE A 85 123.430 4.518 8.903 1.00 0.00 C ATOM 1423 CG2 ILE A 85 123.822 4.194 11.345 1.00 0.00 C ATOM 1424 CD1 ILE A 85 122.020 5.111 8.955 1.00 0.00 C ATOM 0 H ILE A 85 123.233 1.571 8.601 1.00 0.00 H new ATOM 0 HA ILE A 85 125.590 3.132 9.219 1.00 0.00 H new ATOM 0 HB ILE A 85 122.688 2.867 10.085 1.00 0.00 H new ATOM 0 HG12 ILE A 85 124.172 5.307 9.022 1.00 0.00 H new ATOM 0 HG13 ILE A 85 123.607 4.059 7.930 1.00 0.00 H new ATOM 0 HG21 ILE A 85 122.969 4.835 11.567 1.00 0.00 H new ATOM 0 HG22 ILE A 85 123.938 3.457 12.140 1.00 0.00 H new ATOM 0 HG23 ILE A 85 124.725 4.801 11.278 1.00 0.00 H new ATOM 0 HD11 ILE A 85 121.908 5.853 8.165 1.00 0.00 H new ATOM 0 HD12 ILE A 85 121.286 4.317 8.814 1.00 0.00 H new ATOM 0 HD13 ILE A 85 121.860 5.585 9.923 1.00 0.00 H new ATOM 1436 N LYS A 86 125.039 0.692 11.205 1.00 0.00 N ATOM 1437 CA LYS A 86 125.567 0.014 12.424 1.00 0.00 C ATOM 1438 C LYS A 86 126.645 -0.999 12.033 1.00 0.00 C ATOM 1439 O LYS A 86 127.826 -0.749 12.171 1.00 0.00 O ATOM 1440 CB LYS A 86 124.359 -0.694 13.038 1.00 0.00 C ATOM 1441 CG LYS A 86 123.692 0.225 14.063 1.00 0.00 C ATOM 1442 CD LYS A 86 122.865 -0.613 15.039 1.00 0.00 C ATOM 1443 CE LYS A 86 122.085 0.312 15.975 1.00 0.00 C ATOM 1444 NZ LYS A 86 121.520 -0.586 17.021 1.00 0.00 N ATOM 0 H LYS A 86 124.436 0.117 10.616 1.00 0.00 H new ATOM 0 HA LYS A 86 126.025 0.713 13.124 1.00 0.00 H new ATOM 0 HB2 LYS A 86 123.647 -0.963 12.258 1.00 0.00 H new ATOM 0 HB3 LYS A 86 124.673 -1.622 13.516 1.00 0.00 H new ATOM 0 HG2 LYS A 86 124.449 0.792 14.605 1.00 0.00 H new ATOM 0 HG3 LYS A 86 123.053 0.949 13.557 1.00 0.00 H new ATOM 0 HD2 LYS A 86 122.177 -1.256 14.490 1.00 0.00 H new ATOM 0 HD3 LYS A 86 123.518 -1.266 15.618 1.00 0.00 H new ATOM 0 HE2 LYS A 86 122.735 1.069 16.414 1.00 0.00 H new ATOM 0 HE3 LYS A 86 121.296 0.841 15.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 120.970 -0.023 17.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 120.900 -1.292 16.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 122.295 -1.070 17.518 1.00 0.00 H new ATOM 1458 N THR A 87 126.247 -2.139 11.540 1.00 0.00 N ATOM 1459 CA THR A 87 127.249 -3.166 11.134 1.00 0.00 C ATOM 1460 C THR A 87 127.777 -2.857 9.731 1.00 0.00 C ATOM 1461 O THR A 87 128.568 -3.593 9.176 1.00 0.00 O ATOM 1462 CB THR A 87 126.485 -4.491 11.140 1.00 0.00 C ATOM 1463 OG1 THR A 87 127.403 -5.565 11.003 1.00 0.00 O ATOM 1464 CG2 THR A 87 125.490 -4.515 9.979 1.00 0.00 C ATOM 0 H THR A 87 125.272 -2.404 11.400 1.00 0.00 H new ATOM 0 HA THR A 87 128.110 -3.191 11.801 1.00 0.00 H new ATOM 0 HB THR A 87 125.943 -4.594 12.080 1.00 0.00 H new ATOM 0 HG1 THR A 87 128.087 -5.329 10.342 1.00 0.00 H new ATOM 0 HG21 THR A 87 124.947 -5.460 9.985 1.00 0.00 H new ATOM 0 HG22 THR A 87 124.785 -3.690 10.087 1.00 0.00 H new ATOM 0 HG23 THR A 87 126.028 -4.412 9.037 1.00 0.00 H new ATOM 1472 N GLY A 88 127.344 -1.769 9.152 1.00 0.00 N ATOM 1473 CA GLY A 88 127.821 -1.411 7.787 1.00 0.00 C ATOM 1474 C GLY A 88 129.028 -0.477 7.896 1.00 0.00 C ATOM 1475 O GLY A 88 129.260 0.355 7.044 1.00 0.00 O ATOM 0 H GLY A 88 126.681 -1.114 9.566 1.00 0.00 H new ATOM 0 HA2 GLY A 88 128.094 -2.312 7.238 1.00 0.00 H new ATOM 0 HA3 GLY A 88 127.022 -0.926 7.227 1.00 0.00 H new ATOM 1479 N SER A 89 129.793 -0.613 8.945 1.00 0.00 N ATOM 1480 CA SER A 89 130.996 0.256 9.140 1.00 0.00 C ATOM 1481 C SER A 89 130.575 1.657 9.594 1.00 0.00 C ATOM 1482 O SER A 89 129.519 2.143 9.243 1.00 0.00 O ATOM 1483 CB SER A 89 131.694 0.315 7.779 1.00 0.00 C ATOM 1484 OG SER A 89 133.098 0.199 7.966 1.00 0.00 O ATOM 0 H SER A 89 129.636 -1.297 9.686 1.00 0.00 H new ATOM 0 HA SER A 89 131.658 -0.141 9.909 1.00 0.00 H new ATOM 0 HB2 SER A 89 131.333 -0.489 7.137 1.00 0.00 H new ATOM 0 HB3 SER A 89 131.459 1.253 7.277 1.00 0.00 H new ATOM 0 HG SER A 89 133.346 -0.748 8.003 1.00 0.00 H new ATOM 1490 N GLU A 90 131.396 2.303 10.377 1.00 0.00 N ATOM 1491 CA GLU A 90 131.052 3.672 10.865 1.00 0.00 C ATOM 1492 C GLU A 90 130.948 4.650 9.692 1.00 0.00 C ATOM 1493 O GLU A 90 130.508 5.773 9.845 1.00 0.00 O ATOM 1494 CB GLU A 90 132.211 4.063 11.783 1.00 0.00 C ATOM 1495 CG GLU A 90 131.979 3.477 13.177 1.00 0.00 C ATOM 1496 CD GLU A 90 133.185 2.627 13.580 1.00 0.00 C ATOM 1497 OE1 GLU A 90 134.258 3.189 13.733 1.00 0.00 O ATOM 1498 OE2 GLU A 90 133.016 1.428 13.730 1.00 0.00 O ATOM 0 H GLU A 90 132.293 1.942 10.701 1.00 0.00 H new ATOM 0 HA GLU A 90 130.091 3.695 11.379 1.00 0.00 H new ATOM 0 HB2 GLU A 90 133.152 3.695 11.374 1.00 0.00 H new ATOM 0 HB3 GLU A 90 132.292 5.148 11.842 1.00 0.00 H new ATOM 0 HG2 GLU A 90 131.828 4.279 13.900 1.00 0.00 H new ATOM 0 HG3 GLU A 90 131.074 2.869 13.182 1.00 0.00 H new ATOM 1505 N ARG A 91 131.348 4.235 8.522 1.00 0.00 N ATOM 1506 CA ARG A 91 131.271 5.144 7.342 1.00 0.00 C ATOM 1507 C ARG A 91 129.812 5.334 6.928 1.00 0.00 C ATOM 1508 O ARG A 91 129.377 6.429 6.628 1.00 0.00 O ATOM 1509 CB ARG A 91 132.050 4.426 6.239 1.00 0.00 C ATOM 1510 CG ARG A 91 133.488 4.182 6.702 1.00 0.00 C ATOM 1511 CD ARG A 91 134.449 4.433 5.538 1.00 0.00 C ATOM 1512 NE ARG A 91 135.679 3.668 5.885 1.00 0.00 N ATOM 1513 CZ ARG A 91 136.564 4.188 6.689 1.00 0.00 C ATOM 1514 NH1 ARG A 91 137.420 5.063 6.240 1.00 0.00 N ATOM 1515 NH2 ARG A 91 136.593 3.832 7.945 1.00 0.00 N ATOM 0 H ARG A 91 131.725 3.307 8.331 1.00 0.00 H new ATOM 0 HA ARG A 91 131.679 6.133 7.550 1.00 0.00 H new ATOM 0 HB2 ARG A 91 131.569 3.478 5.998 1.00 0.00 H new ATOM 0 HB3 ARG A 91 132.047 5.025 5.329 1.00 0.00 H new ATOM 0 HG2 ARG A 91 133.730 4.841 7.536 1.00 0.00 H new ATOM 0 HG3 ARG A 91 133.596 3.159 7.063 1.00 0.00 H new ATOM 0 HD2 ARG A 91 134.024 4.091 4.594 1.00 0.00 H new ATOM 0 HD3 ARG A 91 134.663 5.496 5.425 1.00 0.00 H new ATOM 0 HE ARG A 91 135.829 2.738 5.494 1.00 0.00 H new ATOM 0 HH11 ARG A 91 137.398 5.341 5.259 1.00 0.00 H new ATOM 0 HH12 ARG A 91 138.112 5.469 6.870 1.00 0.00 H new ATOM 0 HH21 ARG A 91 135.924 3.147 8.297 1.00 0.00 H new ATOM 0 HH22 ARG A 91 137.285 4.238 8.574 1.00 0.00 H new ATOM 1529 N VAL A 92 129.056 4.274 6.911 1.00 0.00 N ATOM 1530 CA VAL A 92 127.624 4.380 6.520 1.00 0.00 C ATOM 1531 C VAL A 92 126.904 5.403 7.407 1.00 0.00 C ATOM 1532 O VAL A 92 125.996 6.084 6.973 1.00 0.00 O ATOM 1533 CB VAL A 92 127.057 2.979 6.742 1.00 0.00 C ATOM 1534 CG1 VAL A 92 125.555 2.985 6.454 1.00 0.00 C ATOM 1535 CG2 VAL A 92 127.751 1.987 5.803 1.00 0.00 C ATOM 0 H VAL A 92 129.370 3.334 7.152 1.00 0.00 H new ATOM 0 HA VAL A 92 127.497 4.715 5.491 1.00 0.00 H new ATOM 0 HB VAL A 92 127.230 2.680 7.776 1.00 0.00 H new ATOM 0 HG11 VAL A 92 125.150 1.985 6.612 1.00 0.00 H new ATOM 0 HG12 VAL A 92 125.059 3.688 7.124 1.00 0.00 H new ATOM 0 HG13 VAL A 92 125.384 3.286 5.421 1.00 0.00 H new ATOM 0 HG21 VAL A 92 127.344 0.989 5.964 1.00 0.00 H new ATOM 0 HG22 VAL A 92 127.581 2.286 4.769 1.00 0.00 H new ATOM 0 HG23 VAL A 92 128.822 1.980 6.008 1.00 0.00 H new ATOM 1545 N SER A 93 127.304 5.517 8.644 1.00 0.00 N ATOM 1546 CA SER A 93 126.645 6.497 9.556 1.00 0.00 C ATOM 1547 C SER A 93 127.217 7.900 9.330 1.00 0.00 C ATOM 1548 O SER A 93 126.496 8.877 9.305 1.00 0.00 O ATOM 1549 CB SER A 93 126.974 6.005 10.965 1.00 0.00 C ATOM 1550 OG SER A 93 125.921 6.371 11.848 1.00 0.00 O ATOM 0 H SER A 93 128.059 4.974 9.063 1.00 0.00 H new ATOM 0 HA SER A 93 125.570 6.563 9.386 1.00 0.00 H new ATOM 0 HB2 SER A 93 127.103 4.923 10.964 1.00 0.00 H new ATOM 0 HB3 SER A 93 127.915 6.438 11.303 1.00 0.00 H new ATOM 0 HG SER A 93 126.128 6.055 12.752 1.00 0.00 H new ATOM 1556 N GLN A 94 128.509 8.007 9.166 1.00 0.00 N ATOM 1557 CA GLN A 94 129.121 9.348 8.941 1.00 0.00 C ATOM 1558 C GLN A 94 128.456 10.031 7.748 1.00 0.00 C ATOM 1559 O GLN A 94 127.968 11.140 7.845 1.00 0.00 O ATOM 1560 CB GLN A 94 130.596 9.070 8.650 1.00 0.00 C ATOM 1561 CG GLN A 94 131.313 8.702 9.951 1.00 0.00 C ATOM 1562 CD GLN A 94 131.759 9.977 10.666 1.00 0.00 C ATOM 1563 OE1 GLN A 94 131.848 11.029 10.064 1.00 0.00 O ATOM 1564 NE2 GLN A 94 132.046 9.929 11.939 1.00 0.00 N ATOM 0 H GLN A 94 129.165 7.226 9.178 1.00 0.00 H new ATOM 0 HA GLN A 94 128.997 10.010 9.798 1.00 0.00 H new ATOM 0 HB2 GLN A 94 130.688 8.258 7.929 1.00 0.00 H new ATOM 0 HB3 GLN A 94 131.061 9.948 8.202 1.00 0.00 H new ATOM 0 HG2 GLN A 94 130.648 8.125 10.594 1.00 0.00 H new ATOM 0 HG3 GLN A 94 132.176 8.071 9.737 1.00 0.00 H new ATOM 0 HE21 GLN A 94 131.972 9.047 12.446 1.00 0.00 H new ATOM 0 HE22 GLN A 94 132.344 10.774 12.427 1.00 0.00 H new ATOM 1573 N GLN A 95 128.428 9.374 6.626 1.00 0.00 N ATOM 1574 CA GLN A 95 127.787 9.980 5.427 1.00 0.00 C ATOM 1575 C GLN A 95 126.356 10.401 5.766 1.00 0.00 C ATOM 1576 O GLN A 95 125.886 11.440 5.348 1.00 0.00 O ATOM 1577 CB GLN A 95 127.789 8.876 4.370 1.00 0.00 C ATOM 1578 CG GLN A 95 126.943 9.314 3.172 1.00 0.00 C ATOM 1579 CD GLN A 95 127.562 8.768 1.884 1.00 0.00 C ATOM 1580 OE1 GLN A 95 128.430 7.918 1.926 1.00 0.00 O ATOM 1581 NE2 GLN A 95 127.149 9.222 0.733 1.00 0.00 N ATOM 0 H GLN A 95 128.821 8.443 6.486 1.00 0.00 H new ATOM 0 HA GLN A 95 128.311 10.869 5.078 1.00 0.00 H new ATOM 0 HB2 GLN A 95 128.810 8.666 4.050 1.00 0.00 H new ATOM 0 HB3 GLN A 95 127.391 7.953 4.792 1.00 0.00 H new ATOM 0 HG2 GLN A 95 125.922 8.948 3.281 1.00 0.00 H new ATOM 0 HG3 GLN A 95 126.889 10.402 3.130 1.00 0.00 H new ATOM 0 HE21 GLN A 95 126.421 9.935 0.698 1.00 0.00 H new ATOM 0 HE22 GLN A 95 127.554 8.864 -0.132 1.00 0.00 H new ATOM 1590 N CYS A 96 125.662 9.601 6.531 1.00 0.00 N ATOM 1591 CA CYS A 96 124.266 9.958 6.907 1.00 0.00 C ATOM 1592 C CYS A 96 124.247 11.340 7.559 1.00 0.00 C ATOM 1593 O CYS A 96 123.398 12.162 7.277 1.00 0.00 O ATOM 1594 CB CYS A 96 123.835 8.884 7.907 1.00 0.00 C ATOM 1595 SG CYS A 96 122.301 8.110 7.339 1.00 0.00 S ATOM 0 H CYS A 96 126.002 8.717 6.911 1.00 0.00 H new ATOM 0 HA CYS A 96 123.598 9.997 6.047 1.00 0.00 H new ATOM 0 HB2 CYS A 96 124.618 8.132 8.009 1.00 0.00 H new ATOM 0 HB3 CYS A 96 123.688 9.327 8.892 1.00 0.00 H new ATOM 0 HG CYS A 96 122.232 8.184 6.043 1.00 0.00 H new ATOM 1601 N LYS A 97 125.186 11.602 8.424 1.00 0.00 N ATOM 1602 CA LYS A 97 125.235 12.934 9.091 1.00 0.00 C ATOM 1603 C LYS A 97 125.592 14.011 8.066 1.00 0.00 C ATOM 1604 O LYS A 97 125.170 15.145 8.166 1.00 0.00 O ATOM 1605 CB LYS A 97 126.334 12.810 10.148 1.00 0.00 C ATOM 1606 CG LYS A 97 125.729 13.008 11.539 1.00 0.00 C ATOM 1607 CD LYS A 97 126.852 13.137 12.571 1.00 0.00 C ATOM 1608 CE LYS A 97 126.747 11.998 13.588 1.00 0.00 C ATOM 1609 NZ LYS A 97 127.670 12.382 14.692 1.00 0.00 N ATOM 0 H LYS A 97 125.922 10.952 8.699 1.00 0.00 H new ATOM 0 HA LYS A 97 124.280 13.215 9.535 1.00 0.00 H new ATOM 0 HB2 LYS A 97 126.808 11.831 10.082 1.00 0.00 H new ATOM 0 HB3 LYS A 97 127.111 13.553 9.969 1.00 0.00 H new ATOM 0 HG2 LYS A 97 125.105 13.901 11.552 1.00 0.00 H new ATOM 0 HG3 LYS A 97 125.085 12.165 11.790 1.00 0.00 H new ATOM 0 HD2 LYS A 97 127.822 13.106 12.074 1.00 0.00 H new ATOM 0 HD3 LYS A 97 126.784 14.099 13.079 1.00 0.00 H new ATOM 0 HE2 LYS A 97 125.725 11.884 13.949 1.00 0.00 H new ATOM 0 HE3 LYS A 97 127.036 11.045 13.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 127.653 11.649 15.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 128.636 12.476 14.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 127.366 13.289 15.099 1.00 0.00 H new ATOM 1623 N GLU A 98 126.364 13.657 7.075 1.00 0.00 N ATOM 1624 CA GLU A 98 126.748 14.652 6.034 1.00 0.00 C ATOM 1625 C GLU A 98 125.567 14.898 5.091 1.00 0.00 C ATOM 1626 O GLU A 98 125.504 15.899 4.406 1.00 0.00 O ATOM 1627 CB GLU A 98 127.913 14.007 5.281 1.00 0.00 C ATOM 1628 CG GLU A 98 129.024 13.646 6.269 1.00 0.00 C ATOM 1629 CD GLU A 98 130.046 12.741 5.580 1.00 0.00 C ATOM 1630 OE1 GLU A 98 129.905 12.520 4.388 1.00 0.00 O ATOM 1631 OE2 GLU A 98 130.953 12.283 6.255 1.00 0.00 O ATOM 0 H GLU A 98 126.746 12.721 6.941 1.00 0.00 H new ATOM 0 HA GLU A 98 127.026 15.616 6.459 1.00 0.00 H new ATOM 0 HB2 GLU A 98 127.572 13.113 4.759 1.00 0.00 H new ATOM 0 HB3 GLU A 98 128.294 14.692 4.524 1.00 0.00 H new ATOM 0 HG2 GLU A 98 129.511 14.551 6.632 1.00 0.00 H new ATOM 0 HG3 GLU A 98 128.602 13.141 7.138 1.00 0.00 H new ATOM 1638 N ASN A 99 124.629 13.991 5.058 1.00 0.00 N ATOM 1639 CA ASN A 99 123.449 14.165 4.170 1.00 0.00 C ATOM 1640 C ASN A 99 122.162 14.137 4.997 1.00 0.00 C ATOM 1641 O ASN A 99 121.170 13.557 4.604 1.00 0.00 O ATOM 1642 CB ASN A 99 123.497 12.977 3.208 1.00 0.00 C ATOM 1643 CG ASN A 99 124.121 13.417 1.883 1.00 0.00 C ATOM 1644 OD1 ASN A 99 125.318 13.610 1.796 1.00 0.00 O ATOM 1645 ND2 ASN A 99 123.356 13.583 0.839 1.00 0.00 N ATOM 0 H ASN A 99 124.631 13.134 5.611 1.00 0.00 H new ATOM 0 HA ASN A 99 123.466 15.117 3.639 1.00 0.00 H new ATOM 0 HB2 ASN A 99 124.079 12.166 3.644 1.00 0.00 H new ATOM 0 HB3 ASN A 99 122.491 12.592 3.038 1.00 0.00 H new ATOM 0 HD21 ASN A 99 123.762 13.875 -0.050 1.00 0.00 H new ATOM 0 HD22 ASN A 99 122.352 13.421 0.912 1.00 0.00 H new ATOM 1652 N MET A 100 122.173 14.760 6.145 1.00 0.00 N ATOM 1653 CA MET A 100 120.953 14.769 7.002 1.00 0.00 C ATOM 1654 C MET A 100 119.760 15.332 6.224 1.00 0.00 C ATOM 1655 O MET A 100 118.619 15.073 6.548 1.00 0.00 O ATOM 1656 CB MET A 100 121.306 15.680 8.177 1.00 0.00 C ATOM 1657 CG MET A 100 121.370 17.132 7.697 1.00 0.00 C ATOM 1658 SD MET A 100 122.800 17.952 8.444 1.00 0.00 S ATOM 1659 CE MET A 100 121.881 19.016 9.584 1.00 0.00 C ATOM 0 H MET A 100 122.974 15.263 6.526 1.00 0.00 H new ATOM 0 HA MET A 100 120.671 13.769 7.330 1.00 0.00 H new ATOM 0 HB2 MET A 100 120.560 15.579 8.966 1.00 0.00 H new ATOM 0 HB3 MET A 100 122.264 15.385 8.605 1.00 0.00 H new ATOM 0 HG2 MET A 100 121.446 17.164 6.610 1.00 0.00 H new ATOM 0 HG3 MET A 100 120.454 17.657 7.968 1.00 0.00 H new ATOM 0 HE1 MET A 100 122.580 19.623 10.159 1.00 0.00 H new ATOM 0 HE2 MET A 100 121.216 19.668 9.017 1.00 0.00 H new ATOM 0 HE3 MET A 100 121.293 18.399 10.263 1.00 0.00 H new ATOM 1669 N TYR A 101 120.015 16.103 5.202 1.00 0.00 N ATOM 1670 CA TYR A 101 118.894 16.682 4.406 1.00 0.00 C ATOM 1671 C TYR A 101 118.294 15.618 3.484 1.00 0.00 C ATOM 1672 O TYR A 101 117.113 15.623 3.198 1.00 0.00 O ATOM 1673 CB TYR A 101 119.532 17.804 3.586 1.00 0.00 C ATOM 1674 CG TYR A 101 119.397 19.111 4.330 1.00 0.00 C ATOM 1675 CD1 TYR A 101 119.381 19.121 5.730 1.00 0.00 C ATOM 1676 CD2 TYR A 101 119.287 20.312 3.620 1.00 0.00 C ATOM 1677 CE1 TYR A 101 119.256 20.333 6.420 1.00 0.00 C ATOM 1678 CE2 TYR A 101 119.163 21.525 4.310 1.00 0.00 C ATOM 1679 CZ TYR A 101 119.147 21.535 5.710 1.00 0.00 C ATOM 1680 OH TYR A 101 119.024 22.730 6.390 1.00 0.00 O ATOM 0 H TYR A 101 120.950 16.357 4.884 1.00 0.00 H new ATOM 0 HA TYR A 101 118.084 17.047 5.037 1.00 0.00 H new ATOM 0 HB2 TYR A 101 120.584 17.583 3.405 1.00 0.00 H new ATOM 0 HB3 TYR A 101 119.049 17.876 2.612 1.00 0.00 H new ATOM 0 HD1 TYR A 101 119.465 18.194 6.278 1.00 0.00 H new ATOM 0 HD2 TYR A 101 119.298 20.304 2.540 1.00 0.00 H new ATOM 0 HE1 TYR A 101 119.244 20.341 7.500 1.00 0.00 H new ATOM 0 HE2 TYR A 101 119.080 22.452 3.762 1.00 0.00 H new ATOM 0 HH TYR A 101 118.961 23.467 5.747 1.00 0.00 H new ATOM 1690 N ALA A 102 119.100 14.706 3.018 1.00 0.00 N ATOM 1691 CA ALA A 102 118.582 13.640 2.114 1.00 0.00 C ATOM 1692 C ALA A 102 117.778 12.616 2.912 1.00 0.00 C ATOM 1693 O ALA A 102 116.755 12.133 2.473 1.00 0.00 O ATOM 1694 CB ALA A 102 119.827 12.988 1.517 1.00 0.00 C ATOM 0 H ALA A 102 120.097 14.652 3.224 1.00 0.00 H new ATOM 0 HA ALA A 102 117.919 14.038 1.346 1.00 0.00 H new ATOM 0 HB1 ALA A 102 119.529 12.190 0.837 1.00 0.00 H new ATOM 0 HB2 ALA A 102 120.402 13.735 0.970 1.00 0.00 H new ATOM 0 HB3 ALA A 102 120.440 12.573 2.317 1.00 0.00 H new ATOM 1700 N VAL A 103 118.232 12.285 4.084 1.00 0.00 N ATOM 1701 CA VAL A 103 117.494 11.299 4.916 1.00 0.00 C ATOM 1702 C VAL A 103 116.245 11.959 5.491 1.00 0.00 C ATOM 1703 O VAL A 103 115.174 11.386 5.526 1.00 0.00 O ATOM 1704 CB VAL A 103 118.481 10.928 6.019 1.00 0.00 C ATOM 1705 CG1 VAL A 103 118.492 12.003 7.106 1.00 0.00 C ATOM 1706 CG2 VAL A 103 118.082 9.581 6.620 1.00 0.00 C ATOM 0 H VAL A 103 119.085 12.655 4.504 1.00 0.00 H new ATOM 0 HA VAL A 103 117.161 10.422 4.361 1.00 0.00 H new ATOM 0 HB VAL A 103 119.483 10.856 5.595 1.00 0.00 H new ATOM 0 HG11 VAL A 103 119.201 11.725 7.886 1.00 0.00 H new ATOM 0 HG12 VAL A 103 118.788 12.958 6.671 1.00 0.00 H new ATOM 0 HG13 VAL A 103 117.495 12.094 7.537 1.00 0.00 H new ATOM 0 HG21 VAL A 103 118.785 9.312 7.409 1.00 0.00 H new ATOM 0 HG22 VAL A 103 117.078 9.652 7.038 1.00 0.00 H new ATOM 0 HG23 VAL A 103 118.099 8.817 5.843 1.00 0.00 H new ATOM 1716 N GLN A 104 116.392 13.168 5.942 1.00 0.00 N ATOM 1717 CA GLN A 104 115.232 13.903 6.523 1.00 0.00 C ATOM 1718 C GLN A 104 114.249 14.314 5.423 1.00 0.00 C ATOM 1719 O GLN A 104 113.095 14.590 5.684 1.00 0.00 O ATOM 1720 CB GLN A 104 115.842 15.139 7.185 1.00 0.00 C ATOM 1721 CG GLN A 104 116.508 14.738 8.503 1.00 0.00 C ATOM 1722 CD GLN A 104 116.843 15.992 9.311 1.00 0.00 C ATOM 1723 OE1 GLN A 104 117.213 17.007 8.753 1.00 0.00 O ATOM 1724 NE2 GLN A 104 116.731 15.968 10.610 1.00 0.00 N ATOM 0 H GLN A 104 117.271 13.686 5.935 1.00 0.00 H new ATOM 0 HA GLN A 104 114.672 13.291 7.230 1.00 0.00 H new ATOM 0 HB2 GLN A 104 116.575 15.596 6.520 1.00 0.00 H new ATOM 0 HB3 GLN A 104 115.069 15.885 7.369 1.00 0.00 H new ATOM 0 HG2 GLN A 104 115.844 14.091 9.076 1.00 0.00 H new ATOM 0 HG3 GLN A 104 117.415 14.168 8.305 1.00 0.00 H new ATOM 0 HE21 GLN A 104 116.421 15.117 11.080 1.00 0.00 H new ATOM 0 HE22 GLN A 104 116.954 16.800 11.157 1.00 0.00 H new ATOM 1733 N THR A 105 114.690 14.361 4.193 1.00 0.00 N ATOM 1734 CA THR A 105 113.764 14.759 3.092 1.00 0.00 C ATOM 1735 C THR A 105 112.503 13.888 3.125 1.00 0.00 C ATOM 1736 O THR A 105 111.437 14.304 2.714 1.00 0.00 O ATOM 1737 CB THR A 105 114.554 14.524 1.800 1.00 0.00 C ATOM 1738 OG1 THR A 105 113.939 15.238 0.736 1.00 0.00 O ATOM 1739 CG2 THR A 105 114.576 13.031 1.469 1.00 0.00 C ATOM 0 H THR A 105 115.644 14.143 3.905 1.00 0.00 H new ATOM 0 HA THR A 105 113.436 15.795 3.180 1.00 0.00 H new ATOM 0 HB THR A 105 115.577 14.875 1.934 1.00 0.00 H new ATOM 0 HG1 THR A 105 114.443 15.091 -0.091 1.00 0.00 H new ATOM 0 HG21 THR A 105 115.139 12.870 0.550 1.00 0.00 H new ATOM 0 HG22 THR A 105 115.049 12.484 2.285 1.00 0.00 H new ATOM 0 HG23 THR A 105 113.555 12.673 1.337 1.00 0.00 H new ATOM 1747 N LEU A 106 112.618 12.683 3.613 1.00 0.00 N ATOM 1748 CA LEU A 106 111.430 11.784 3.676 1.00 0.00 C ATOM 1749 C LEU A 106 110.462 12.260 4.762 1.00 0.00 C ATOM 1750 O LEU A 106 109.259 12.160 4.622 1.00 0.00 O ATOM 1751 CB LEU A 106 111.995 10.407 4.027 1.00 0.00 C ATOM 1752 CG LEU A 106 112.860 9.902 2.871 1.00 0.00 C ATOM 1753 CD1 LEU A 106 113.401 8.510 3.202 1.00 0.00 C ATOM 1754 CD2 LEU A 106 112.012 9.829 1.599 1.00 0.00 C ATOM 0 H LEU A 106 113.484 12.281 3.971 1.00 0.00 H new ATOM 0 HA LEU A 106 110.873 11.770 2.739 1.00 0.00 H new ATOM 0 HB2 LEU A 106 112.588 10.467 4.940 1.00 0.00 H new ATOM 0 HB3 LEU A 106 111.182 9.707 4.220 1.00 0.00 H new ATOM 0 HG LEU A 106 113.695 10.586 2.717 1.00 0.00 H new ATOM 0 HD11 LEU A 106 114.017 8.153 2.376 1.00 0.00 H new ATOM 0 HD12 LEU A 106 114.004 8.560 4.109 1.00 0.00 H new ATOM 0 HD13 LEU A 106 112.569 7.824 3.357 1.00 0.00 H new ATOM 0 HD21 LEU A 106 112.625 9.469 0.773 1.00 0.00 H new ATOM 0 HD22 LEU A 106 111.178 9.145 1.756 1.00 0.00 H new ATOM 0 HD23 LEU A 106 111.628 10.821 1.361 1.00 0.00 H new ATOM 1766 N LYS A 107 110.976 12.778 5.842 1.00 0.00 N ATOM 1767 CA LYS A 107 110.084 13.262 6.935 1.00 0.00 C ATOM 1768 C LYS A 107 109.062 14.257 6.378 1.00 0.00 C ATOM 1769 O LYS A 107 107.987 14.427 6.920 1.00 0.00 O ATOM 1770 CB LYS A 107 111.015 13.953 7.931 1.00 0.00 C ATOM 1771 CG LYS A 107 110.195 14.496 9.104 1.00 0.00 C ATOM 1772 CD LYS A 107 110.537 15.971 9.327 1.00 0.00 C ATOM 1773 CE LYS A 107 109.476 16.849 8.659 1.00 0.00 C ATOM 1774 NZ LYS A 107 108.745 17.492 9.785 1.00 0.00 N ATOM 0 H LYS A 107 111.975 12.888 6.016 1.00 0.00 H new ATOM 0 HA LYS A 107 109.521 12.452 7.399 1.00 0.00 H new ATOM 0 HB2 LYS A 107 111.765 13.249 8.293 1.00 0.00 H new ATOM 0 HB3 LYS A 107 111.551 14.766 7.441 1.00 0.00 H new ATOM 0 HG2 LYS A 107 109.130 14.386 8.899 1.00 0.00 H new ATOM 0 HG3 LYS A 107 110.407 13.922 10.006 1.00 0.00 H new ATOM 0 HD2 LYS A 107 110.583 16.187 10.394 1.00 0.00 H new ATOM 0 HD3 LYS A 107 111.521 16.193 8.914 1.00 0.00 H new ATOM 0 HE2 LYS A 107 109.933 17.594 8.008 1.00 0.00 H new ATOM 0 HE3 LYS A 107 108.804 16.254 8.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 108.000 18.111 9.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 108.315 16.758 10.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 109.409 18.057 10.352 1.00 0.00 H new ATOM 1987 N VAL A 121 102.506 7.391 4.604 1.00 0.00 N ATOM 1988 CA VAL A 121 103.075 7.805 5.918 1.00 0.00 C ATOM 1989 C VAL A 121 104.106 6.781 6.394 1.00 0.00 C ATOM 1990 O VAL A 121 105.156 7.129 6.895 1.00 0.00 O ATOM 1991 CB VAL A 121 101.875 7.845 6.867 1.00 0.00 C ATOM 1992 CG1 VAL A 121 101.514 6.428 7.322 1.00 0.00 C ATOM 1993 CG2 VAL A 121 102.226 8.699 8.088 1.00 0.00 C ATOM 0 HA VAL A 121 103.588 8.766 5.866 1.00 0.00 H new ATOM 0 HB VAL A 121 101.021 8.277 6.346 1.00 0.00 H new ATOM 0 HG11 VAL A 121 100.659 6.469 7.997 1.00 0.00 H new ATOM 0 HG12 VAL A 121 101.262 5.820 6.453 1.00 0.00 H new ATOM 0 HG13 VAL A 121 102.364 5.985 7.840 1.00 0.00 H new ATOM 0 HG21 VAL A 121 101.374 8.730 8.767 1.00 0.00 H new ATOM 0 HG22 VAL A 121 103.084 8.264 8.602 1.00 0.00 H new ATOM 0 HG23 VAL A 121 102.471 9.711 7.766 1.00 0.00 H new ATOM 2003 N ASN A 122 103.801 5.522 6.244 1.00 0.00 N ATOM 2004 CA ASN A 122 104.746 4.453 6.688 1.00 0.00 C ATOM 2005 C ASN A 122 106.198 4.863 6.414 1.00 0.00 C ATOM 2006 O ASN A 122 107.107 4.457 7.108 1.00 0.00 O ATOM 2007 CB ASN A 122 104.371 3.227 5.855 1.00 0.00 C ATOM 2008 CG ASN A 122 103.885 2.110 6.780 1.00 0.00 C ATOM 2009 OD1 ASN A 122 103.608 2.343 7.939 1.00 0.00 O ATOM 2010 ND2 ASN A 122 103.769 0.897 6.313 1.00 0.00 N ATOM 0 H ASN A 122 102.932 5.183 5.830 1.00 0.00 H new ATOM 0 HA ASN A 122 104.673 4.263 7.759 1.00 0.00 H new ATOM 0 HB2 ASN A 122 103.591 3.486 5.139 1.00 0.00 H new ATOM 0 HB3 ASN A 122 105.232 2.888 5.280 1.00 0.00 H new ATOM 0 HD21 ASN A 122 103.446 0.145 6.922 1.00 0.00 H new ATOM 0 HD22 ASN A 122 104.002 0.701 5.339 1.00 0.00 H new ATOM 2017 N VAL A 123 106.420 5.666 5.409 1.00 0.00 N ATOM 2018 CA VAL A 123 107.814 6.099 5.097 1.00 0.00 C ATOM 2019 C VAL A 123 108.192 7.318 5.945 1.00 0.00 C ATOM 2020 O VAL A 123 109.081 7.261 6.768 1.00 0.00 O ATOM 2021 CB VAL A 123 107.792 6.457 3.608 1.00 0.00 C ATOM 2022 CG1 VAL A 123 108.971 7.377 3.275 1.00 0.00 C ATOM 2023 CG2 VAL A 123 107.901 5.177 2.778 1.00 0.00 C ATOM 0 H VAL A 123 105.700 6.040 4.792 1.00 0.00 H new ATOM 0 HA VAL A 123 108.549 5.325 5.317 1.00 0.00 H new ATOM 0 HB VAL A 123 106.859 6.970 3.376 1.00 0.00 H new ATOM 0 HG11 VAL A 123 108.949 7.627 2.214 1.00 0.00 H new ATOM 0 HG12 VAL A 123 108.898 8.291 3.865 1.00 0.00 H new ATOM 0 HG13 VAL A 123 109.906 6.869 3.508 1.00 0.00 H new ATOM 0 HG21 VAL A 123 107.886 5.429 1.718 1.00 0.00 H new ATOM 0 HG22 VAL A 123 108.834 4.667 3.016 1.00 0.00 H new ATOM 0 HG23 VAL A 123 107.061 4.522 3.008 1.00 0.00 H new ATOM 2033 N ARG A 124 107.531 8.423 5.742 1.00 0.00 N ATOM 2034 CA ARG A 124 107.859 9.649 6.527 1.00 0.00 C ATOM 2035 C ARG A 124 108.138 9.305 7.994 1.00 0.00 C ATOM 2036 O ARG A 124 108.981 9.905 8.633 1.00 0.00 O ATOM 2037 CB ARG A 124 106.615 10.531 6.413 1.00 0.00 C ATOM 2038 CG ARG A 124 106.926 11.925 6.959 1.00 0.00 C ATOM 2039 CD ARG A 124 106.910 11.891 8.487 1.00 0.00 C ATOM 2040 NE ARG A 124 105.996 12.996 8.887 1.00 0.00 N ATOM 2041 CZ ARG A 124 105.374 12.945 10.032 1.00 0.00 C ATOM 2042 NH1 ARG A 124 104.580 11.944 10.299 1.00 0.00 N ATOM 2043 NH2 ARG A 124 105.544 13.895 10.911 1.00 0.00 N ATOM 0 H ARG A 124 106.776 8.532 5.065 1.00 0.00 H new ATOM 0 HA ARG A 124 108.755 10.143 6.151 1.00 0.00 H new ATOM 0 HB2 ARG A 124 106.299 10.599 5.372 1.00 0.00 H new ATOM 0 HB3 ARG A 124 105.789 10.087 6.969 1.00 0.00 H new ATOM 0 HG2 ARG A 124 107.901 12.257 6.603 1.00 0.00 H new ATOM 0 HG3 ARG A 124 106.191 12.642 6.593 1.00 0.00 H new ATOM 0 HD2 ARG A 124 106.553 10.930 8.857 1.00 0.00 H new ATOM 0 HD3 ARG A 124 107.910 12.038 8.896 1.00 0.00 H new ATOM 0 HE ARG A 124 105.856 13.793 8.266 1.00 0.00 H new ATOM 0 HH11 ARG A 124 104.446 11.202 9.612 1.00 0.00 H new ATOM 0 HH12 ARG A 124 104.093 11.904 11.195 1.00 0.00 H new ATOM 0 HH21 ARG A 124 106.164 14.678 10.702 1.00 0.00 H new ATOM 0 HH22 ARG A 124 105.057 13.854 11.806 1.00 0.00 H new ATOM 2057 N GLU A 125 107.432 8.353 8.537 1.00 0.00 N ATOM 2058 CA GLU A 125 107.649 7.985 9.966 1.00 0.00 C ATOM 2059 C GLU A 125 108.856 7.053 10.121 1.00 0.00 C ATOM 2060 O GLU A 125 109.731 7.292 10.930 1.00 0.00 O ATOM 2061 CB GLU A 125 106.366 7.271 10.390 1.00 0.00 C ATOM 2062 CG GLU A 125 105.160 8.158 10.081 1.00 0.00 C ATOM 2063 CD GLU A 125 104.916 9.114 11.251 1.00 0.00 C ATOM 2064 OE1 GLU A 125 105.815 9.271 12.060 1.00 0.00 O ATOM 2065 OE2 GLU A 125 103.832 9.672 11.317 1.00 0.00 O ATOM 0 H GLU A 125 106.714 7.813 8.054 1.00 0.00 H new ATOM 0 HA GLU A 125 107.858 8.862 10.579 1.00 0.00 H new ATOM 0 HB2 GLU A 125 106.276 6.321 9.864 1.00 0.00 H new ATOM 0 HB3 GLU A 125 106.399 7.043 11.455 1.00 0.00 H new ATOM 0 HG2 GLU A 125 105.336 8.724 9.166 1.00 0.00 H new ATOM 0 HG3 GLU A 125 104.277 7.543 9.910 1.00 0.00 H new ATOM 2072 N LYS A 126 108.912 5.994 9.362 1.00 0.00 N ATOM 2073 CA LYS A 126 110.067 5.058 9.484 1.00 0.00 C ATOM 2074 C LYS A 126 111.376 5.832 9.336 1.00 0.00 C ATOM 2075 O LYS A 126 112.227 5.809 10.204 1.00 0.00 O ATOM 2076 CB LYS A 126 109.892 4.061 8.339 1.00 0.00 C ATOM 2077 CG LYS A 126 110.962 2.973 8.443 1.00 0.00 C ATOM 2078 CD LYS A 126 110.440 1.825 9.310 1.00 0.00 C ATOM 2079 CE LYS A 126 110.959 1.986 10.741 1.00 0.00 C ATOM 2080 NZ LYS A 126 111.181 0.595 11.226 1.00 0.00 N ATOM 0 H LYS A 126 108.213 5.736 8.666 1.00 0.00 H new ATOM 0 HA LYS A 126 110.100 4.556 10.451 1.00 0.00 H new ATOM 0 HB2 LYS A 126 108.899 3.614 8.380 1.00 0.00 H new ATOM 0 HB3 LYS A 126 109.971 4.574 7.381 1.00 0.00 H new ATOM 0 HG2 LYS A 126 111.219 2.605 7.450 1.00 0.00 H new ATOM 0 HG3 LYS A 126 111.874 3.385 8.876 1.00 0.00 H new ATOM 0 HD2 LYS A 126 109.350 1.819 9.306 1.00 0.00 H new ATOM 0 HD3 LYS A 126 110.765 0.869 8.900 1.00 0.00 H new ATOM 0 HE2 LYS A 126 111.882 2.565 10.764 1.00 0.00 H new ATOM 0 HE3 LYS A 126 110.238 2.512 11.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 111.538 0.621 12.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 110.283 0.071 11.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 111.877 0.121 10.615 1.00 0.00 H new ATOM 2094 N ALA A 127 111.539 6.522 8.245 1.00 0.00 N ATOM 2095 CA ALA A 127 112.786 7.308 8.035 1.00 0.00 C ATOM 2096 C ALA A 127 113.023 8.244 9.223 1.00 0.00 C ATOM 2097 O ALA A 127 114.134 8.403 9.689 1.00 0.00 O ATOM 2098 CB ALA A 127 112.535 8.114 6.760 1.00 0.00 C ATOM 0 H ALA A 127 110.860 6.577 7.486 1.00 0.00 H new ATOM 0 HA ALA A 127 113.667 6.673 7.948 1.00 0.00 H new ATOM 0 HB1 ALA A 127 113.411 8.722 6.536 1.00 0.00 H new ATOM 0 HB2 ALA A 127 112.344 7.433 5.931 1.00 0.00 H new ATOM 0 HB3 ALA A 127 111.670 8.762 6.904 1.00 0.00 H new ATOM 2104 N LYS A 128 111.987 8.867 9.719 1.00 0.00 N ATOM 2105 CA LYS A 128 112.158 9.790 10.878 1.00 0.00 C ATOM 2106 C LYS A 128 112.936 9.093 11.998 1.00 0.00 C ATOM 2107 O LYS A 128 113.785 9.682 12.636 1.00 0.00 O ATOM 2108 CB LYS A 128 110.738 10.121 11.336 1.00 0.00 C ATOM 2109 CG LYS A 128 110.798 11.097 12.513 1.00 0.00 C ATOM 2110 CD LYS A 128 110.565 10.335 13.819 1.00 0.00 C ATOM 2111 CE LYS A 128 110.692 11.298 15.002 1.00 0.00 C ATOM 2112 NZ LYS A 128 109.422 11.141 15.764 1.00 0.00 N ATOM 0 H LYS A 128 111.032 8.777 9.372 1.00 0.00 H new ATOM 0 HA LYS A 128 112.718 10.687 10.613 1.00 0.00 H new ATOM 0 HB2 LYS A 128 110.172 10.560 10.514 1.00 0.00 H new ATOM 0 HB3 LYS A 128 110.218 9.210 11.631 1.00 0.00 H new ATOM 0 HG2 LYS A 128 111.767 11.595 12.538 1.00 0.00 H new ATOM 0 HG3 LYS A 128 110.044 11.875 12.393 1.00 0.00 H new ATOM 0 HD2 LYS A 128 109.576 9.877 13.814 1.00 0.00 H new ATOM 0 HD3 LYS A 128 111.290 9.527 13.915 1.00 0.00 H new ATOM 0 HE2 LYS A 128 111.556 11.053 15.620 1.00 0.00 H new ATOM 0 HE3 LYS A 128 110.824 12.325 14.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 109.434 11.770 16.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 108.618 11.388 15.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 109.327 10.155 16.080 1.00 0.00 H new ATOM 2126 N GLN A 129 112.651 7.842 12.244 1.00 0.00 N ATOM 2127 CA GLN A 129 113.374 7.111 13.323 1.00 0.00 C ATOM 2128 C GLN A 129 114.857 6.972 12.965 1.00 0.00 C ATOM 2129 O GLN A 129 115.726 7.330 13.733 1.00 0.00 O ATOM 2130 CB GLN A 129 112.706 5.737 13.388 1.00 0.00 C ATOM 2131 CG GLN A 129 111.459 5.816 14.273 1.00 0.00 C ATOM 2132 CD GLN A 129 111.736 5.124 15.609 1.00 0.00 C ATOM 2133 OE1 GLN A 129 112.715 4.417 15.749 1.00 0.00 O ATOM 2134 NE2 GLN A 129 110.910 5.298 16.604 1.00 0.00 N ATOM 0 H GLN A 129 111.949 7.296 11.744 1.00 0.00 H new ATOM 0 HA GLN A 129 113.326 7.632 14.279 1.00 0.00 H new ATOM 0 HB2 GLN A 129 112.433 5.406 12.386 1.00 0.00 H new ATOM 0 HB3 GLN A 129 113.403 5.001 13.788 1.00 0.00 H new ATOM 0 HG2 GLN A 129 111.185 6.857 14.441 1.00 0.00 H new ATOM 0 HG3 GLN A 129 110.615 5.341 13.773 1.00 0.00 H new ATOM 0 HE21 GLN A 129 110.088 5.891 16.487 1.00 0.00 H new ATOM 0 HE22 GLN A 129 111.086 4.841 17.499 1.00 0.00 H new ATOM 2143 N LEU A 130 115.152 6.454 11.803 1.00 0.00 N ATOM 2144 CA LEU A 130 116.579 6.295 11.400 1.00 0.00 C ATOM 2145 C LEU A 130 117.344 7.599 11.644 1.00 0.00 C ATOM 2146 O LEU A 130 118.519 7.594 11.951 1.00 0.00 O ATOM 2147 CB LEU A 130 116.536 5.966 9.908 1.00 0.00 C ATOM 2148 CG LEU A 130 117.958 5.947 9.344 1.00 0.00 C ATOM 2149 CD1 LEU A 130 118.853 5.087 10.238 1.00 0.00 C ATOM 2150 CD2 LEU A 130 117.936 5.360 7.932 1.00 0.00 C ATOM 0 H LEU A 130 114.468 6.135 11.117 1.00 0.00 H new ATOM 0 HA LEU A 130 117.087 5.518 11.972 1.00 0.00 H new ATOM 0 HB2 LEU A 130 116.060 4.998 9.753 1.00 0.00 H new ATOM 0 HB3 LEU A 130 115.935 6.706 9.380 1.00 0.00 H new ATOM 0 HG LEU A 130 118.349 6.964 9.312 1.00 0.00 H new ATOM 0 HD11 LEU A 130 119.866 5.075 9.835 1.00 0.00 H new ATOM 0 HD12 LEU A 130 118.869 5.503 11.245 1.00 0.00 H new ATOM 0 HD13 LEU A 130 118.463 4.070 10.272 1.00 0.00 H new ATOM 0 HD21 LEU A 130 118.948 5.346 7.528 1.00 0.00 H new ATOM 0 HD22 LEU A 130 117.545 4.343 7.967 1.00 0.00 H new ATOM 0 HD23 LEU A 130 117.299 5.972 7.293 1.00 0.00 H new ATOM 2162 N VAL A 131 116.681 8.715 11.511 1.00 0.00 N ATOM 2163 CA VAL A 131 117.364 10.020 11.737 1.00 0.00 C ATOM 2164 C VAL A 131 117.488 10.296 13.237 1.00 0.00 C ATOM 2165 O VAL A 131 118.457 10.869 13.696 1.00 0.00 O ATOM 2166 CB VAL A 131 116.463 11.058 11.074 1.00 0.00 C ATOM 2167 CG1 VAL A 131 117.172 12.412 11.068 1.00 0.00 C ATOM 2168 CG2 VAL A 131 116.173 10.631 9.634 1.00 0.00 C ATOM 0 H VAL A 131 115.696 8.779 11.256 1.00 0.00 H new ATOM 0 HA VAL A 131 118.373 10.036 11.326 1.00 0.00 H new ATOM 0 HB VAL A 131 115.527 11.137 11.627 1.00 0.00 H new ATOM 0 HG11 VAL A 131 116.531 13.156 10.595 1.00 0.00 H new ATOM 0 HG12 VAL A 131 117.385 12.716 12.093 1.00 0.00 H new ATOM 0 HG13 VAL A 131 118.106 12.331 10.512 1.00 0.00 H new ATOM 0 HG21 VAL A 131 115.529 11.371 9.158 1.00 0.00 H new ATOM 0 HG22 VAL A 131 117.109 10.555 9.081 1.00 0.00 H new ATOM 0 HG23 VAL A 131 115.673 9.662 9.635 1.00 0.00 H new ATOM 2178 N ALA A 132 116.513 9.892 14.005 1.00 0.00 N ATOM 2179 CA ALA A 132 116.572 10.129 15.476 1.00 0.00 C ATOM 2180 C ALA A 132 117.735 9.346 16.091 1.00 0.00 C ATOM 2181 O ALA A 132 118.564 9.895 16.791 1.00 0.00 O ATOM 2182 CB ALA A 132 115.236 9.615 16.011 1.00 0.00 C ATOM 0 H ALA A 132 115.677 9.408 13.677 1.00 0.00 H new ATOM 0 HA ALA A 132 116.733 11.179 15.721 1.00 0.00 H new ATOM 0 HB1 ALA A 132 115.199 9.754 17.092 1.00 0.00 H new ATOM 0 HB2 ALA A 132 114.421 10.169 15.546 1.00 0.00 H new ATOM 0 HB3 ALA A 132 115.134 8.555 15.778 1.00 0.00 H new ATOM 2188 N LEU A 133 117.801 8.069 15.838 1.00 0.00 N ATOM 2189 CA LEU A 133 118.909 7.250 16.408 1.00 0.00 C ATOM 2190 C LEU A 133 120.250 7.681 15.804 1.00 0.00 C ATOM 2191 O LEU A 133 121.234 7.835 16.500 1.00 0.00 O ATOM 2192 CB LEU A 133 118.580 5.810 16.013 1.00 0.00 C ATOM 2193 CG LEU A 133 118.387 4.965 17.273 1.00 0.00 C ATOM 2194 CD1 LEU A 133 117.994 3.541 16.876 1.00 0.00 C ATOM 2195 CD2 LEU A 133 119.692 4.930 18.069 1.00 0.00 C ATOM 0 H LEU A 133 117.135 7.556 15.261 1.00 0.00 H new ATOM 0 HA LEU A 133 118.996 7.366 17.488 1.00 0.00 H new ATOM 0 HB2 LEU A 133 117.676 5.786 15.405 1.00 0.00 H new ATOM 0 HB3 LEU A 133 119.384 5.396 15.405 1.00 0.00 H new ATOM 0 HG LEU A 133 117.599 5.402 17.886 1.00 0.00 H new ATOM 0 HD11 LEU A 133 117.856 2.938 17.773 1.00 0.00 H new ATOM 0 HD12 LEU A 133 117.064 3.565 16.309 1.00 0.00 H new ATOM 0 HD13 LEU A 133 118.782 3.104 16.263 1.00 0.00 H new ATOM 0 HD21 LEU A 133 119.554 4.328 18.967 1.00 0.00 H new ATOM 0 HD22 LEU A 133 120.480 4.493 17.456 1.00 0.00 H new ATOM 0 HD23 LEU A 133 119.973 5.944 18.352 1.00 0.00 H new ATOM 2207 N LEU A 134 120.296 7.875 14.514 1.00 0.00 N ATOM 2208 CA LEU A 134 121.572 8.294 13.868 1.00 0.00 C ATOM 2209 C LEU A 134 122.220 9.434 14.659 1.00 0.00 C ATOM 2210 O LEU A 134 123.374 9.366 15.030 1.00 0.00 O ATOM 2211 CB LEU A 134 121.173 8.771 12.472 1.00 0.00 C ATOM 2212 CG LEU A 134 121.475 7.673 11.450 1.00 0.00 C ATOM 2213 CD1 LEU A 134 120.984 8.112 10.069 1.00 0.00 C ATOM 2214 CD2 LEU A 134 122.985 7.426 11.398 1.00 0.00 C ATOM 0 H LEU A 134 119.505 7.761 13.880 1.00 0.00 H new ATOM 0 HA LEU A 134 122.299 7.482 13.830 1.00 0.00 H new ATOM 0 HB2 LEU A 134 120.112 9.020 12.451 1.00 0.00 H new ATOM 0 HB3 LEU A 134 121.719 9.679 12.217 1.00 0.00 H new ATOM 0 HG LEU A 134 120.965 6.755 11.743 1.00 0.00 H new ATOM 0 HD11 LEU A 134 121.199 7.330 9.341 1.00 0.00 H new ATOM 0 HD12 LEU A 134 119.909 8.289 10.104 1.00 0.00 H new ATOM 0 HD13 LEU A 134 121.494 9.030 9.777 1.00 0.00 H new ATOM 0 HD21 LEU A 134 123.201 6.644 10.670 1.00 0.00 H new ATOM 0 HD22 LEU A 134 123.494 8.344 11.106 1.00 0.00 H new ATOM 0 HD23 LEU A 134 123.337 7.114 12.381 1.00 0.00 H new