USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 690 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 76 LYS NZ :NH3+ 175:sc= 2.66 (180deg=1.95) USER MOD Set 1.2: A 79 TYR OH : rot 180:sc= 0.595 USER MOD Set 2.1: A 68 MET CE :methyl -175:sc= -0.0128 (180deg=-0.0901) USER MOD Set 2.2: A 74 CYS SG : rot 78:sc= 0.364 USER MOD Set 3.1: A 47 LYS NZ :NH3+ 154:sc= 1.06 (180deg=0) USER MOD Set 3.2: A 62 THR OG1 : rot -150:sc= 0.912 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl -148:sc= -0.298 (180deg=-1.57) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 5:sc= 0.824 USER MOD Single : A 39 THR OG1 : rot 83:sc= 1.25 USER MOD Single : A 45 MET CE :methyl -151:sc= -0.036 (180deg=-0.522) USER MOD Single : A 49 LYS NZ :NH3+ -129:sc= 1.11 (180deg=0.371) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 164:sc= 0.369 (180deg=-0.171!) USER MOD Single : A 78 MET CE :methyl 176:sc= -0.0478 (180deg=-0.0622) USER MOD Single : A 88 LYS NZ :NH3+ -156:sc= 1.33 (180deg=0.419) USER MOD Single : A 93 TYR OH : rot 110:sc= -0.208 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 144:sc= 1.21 (180deg=0.27) USER MOD Single : A 98 SER OG : rot 180:sc= 0.689 USER MOD Single : A 109 THR OG1 : rot 147:sc= 1.33 USER MOD Single : A 110 GLN : amide:sc= -0.233 X(o=-0.23,f=-0.23) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 346 N ALA A 22 -6.376 -30.037 -2.855 1.00 0.00 N ATOM 347 CA ALA A 22 -6.035 -29.852 -4.261 1.00 0.00 C ATOM 348 C ALA A 22 -4.516 -29.844 -4.446 1.00 0.00 C ATOM 349 O ALA A 22 -3.775 -29.440 -3.549 1.00 0.00 O ATOM 350 CB ALA A 22 -6.658 -28.533 -4.732 1.00 0.00 C ATOM 0 HA ALA A 22 -6.428 -30.675 -4.858 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.417 -28.371 -5.783 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.740 -28.578 -4.611 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.260 -27.710 -4.138 1.00 0.00 H new ATOM 356 N GLU A 23 -4.040 -30.242 -5.631 1.00 0.00 N ATOM 357 CA GLU A 23 -2.614 -30.490 -5.886 1.00 0.00 C ATOM 358 C GLU A 23 -2.142 -29.916 -7.235 1.00 0.00 C ATOM 359 O GLU A 23 -0.951 -29.988 -7.545 1.00 0.00 O ATOM 360 CB GLU A 23 -2.338 -32.006 -5.814 1.00 0.00 C ATOM 361 CG GLU A 23 -2.590 -32.605 -4.421 1.00 0.00 C ATOM 362 CD GLU A 23 -2.177 -34.086 -4.362 1.00 0.00 C ATOM 363 OE1 GLU A 23 -3.005 -34.971 -4.681 1.00 0.00 O ATOM 364 OE2 GLU A 23 -1.024 -34.388 -3.977 1.00 0.00 O ATOM 0 H GLU A 23 -4.634 -30.402 -6.444 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.044 -29.971 -5.115 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.968 -32.518 -6.541 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.303 -32.194 -6.101 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.032 -32.040 -3.674 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.646 -32.510 -4.168 1.00 0.00 H new ATOM 371 N ASP A 24 -3.038 -29.323 -8.031 1.00 0.00 N ATOM 372 CA ASP A 24 -2.737 -28.751 -9.348 1.00 0.00 C ATOM 373 C ASP A 24 -3.417 -27.392 -9.455 1.00 0.00 C ATOM 374 O ASP A 24 -4.480 -27.207 -8.867 1.00 0.00 O ATOM 375 CB ASP A 24 -3.267 -29.677 -10.452 1.00 0.00 C ATOM 376 CG ASP A 24 -3.077 -29.044 -11.839 1.00 0.00 C ATOM 377 OD1 ASP A 24 -1.996 -29.232 -12.442 1.00 0.00 O ATOM 378 OD2 ASP A 24 -4.000 -28.343 -12.309 1.00 0.00 O ATOM 0 H ASP A 24 -4.019 -29.225 -7.770 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.659 -28.642 -9.465 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.746 -30.634 -10.410 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.324 -29.882 -10.283 1.00 0.00 H new ATOM 383 N LYS A 25 -2.832 -26.447 -10.197 1.00 0.00 N ATOM 384 CA LYS A 25 -3.332 -25.077 -10.319 1.00 0.00 C ATOM 385 C LYS A 25 -4.830 -24.991 -10.635 1.00 0.00 C ATOM 386 O LYS A 25 -5.497 -24.118 -10.083 1.00 0.00 O ATOM 387 CB LYS A 25 -2.486 -24.299 -11.347 1.00 0.00 C ATOM 388 CG LYS A 25 -2.612 -24.844 -12.779 1.00 0.00 C ATOM 389 CD LYS A 25 -1.694 -24.118 -13.765 1.00 0.00 C ATOM 390 CE LYS A 25 -1.927 -24.722 -15.156 1.00 0.00 C ATOM 391 NZ LYS A 25 -1.087 -24.084 -16.199 1.00 0.00 N ATOM 0 H LYS A 25 -1.984 -26.617 -10.738 1.00 0.00 H new ATOM 0 HA LYS A 25 -3.224 -24.611 -9.339 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.788 -23.252 -11.337 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.439 -24.332 -11.044 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -2.374 -25.908 -12.782 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -3.646 -24.748 -13.111 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.910 -23.050 -13.772 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.651 -24.231 -13.470 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.714 -25.790 -15.125 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.978 -24.614 -15.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.281 -24.527 -17.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.308 -23.069 -16.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.083 -24.208 -15.960 1.00 0.00 H new ATOM 405 N GLU A 26 -5.376 -25.876 -11.476 1.00 0.00 N ATOM 406 CA GLU A 26 -6.793 -25.829 -11.829 1.00 0.00 C ATOM 407 C GLU A 26 -7.638 -26.212 -10.611 1.00 0.00 C ATOM 408 O GLU A 26 -8.626 -25.551 -10.288 1.00 0.00 O ATOM 409 CB GLU A 26 -7.076 -26.776 -13.006 1.00 0.00 C ATOM 410 CG GLU A 26 -6.536 -26.230 -14.336 1.00 0.00 C ATOM 411 CD GLU A 26 -6.727 -27.229 -15.493 1.00 0.00 C ATOM 412 OE1 GLU A 26 -7.883 -27.541 -15.858 1.00 0.00 O ATOM 413 OE2 GLU A 26 -5.720 -27.690 -16.078 1.00 0.00 O ATOM 0 H GLU A 26 -4.856 -26.631 -11.923 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.056 -24.816 -12.135 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.625 -27.747 -12.805 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -8.151 -26.935 -13.091 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.044 -25.296 -14.577 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.476 -25.998 -14.229 1.00 0.00 H new ATOM 420 N GLU A 27 -7.219 -27.253 -9.892 1.00 0.00 N ATOM 421 CA GLU A 27 -7.904 -27.740 -8.703 1.00 0.00 C ATOM 422 C GLU A 27 -7.755 -26.727 -7.562 1.00 0.00 C ATOM 423 O GLU A 27 -8.678 -26.529 -6.776 1.00 0.00 O ATOM 424 CB GLU A 27 -7.331 -29.109 -8.300 1.00 0.00 C ATOM 425 CG GLU A 27 -7.445 -30.177 -9.400 1.00 0.00 C ATOM 426 CD GLU A 27 -8.908 -30.528 -9.733 1.00 0.00 C ATOM 427 OE1 GLU A 27 -9.557 -31.251 -8.944 1.00 0.00 O ATOM 428 OE2 GLU A 27 -9.415 -30.111 -10.798 1.00 0.00 O ATOM 0 H GLU A 27 -6.382 -27.787 -10.126 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.966 -27.859 -8.917 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -6.282 -28.988 -8.031 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -7.850 -29.462 -7.409 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -6.946 -29.820 -10.301 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.922 -31.079 -9.082 1.00 0.00 H new ATOM 435 N ARG A 28 -6.609 -26.048 -7.468 1.00 0.00 N ATOM 436 CA ARG A 28 -6.360 -25.041 -6.439 1.00 0.00 C ATOM 437 C ARG A 28 -7.165 -23.772 -6.712 1.00 0.00 C ATOM 438 O ARG A 28 -7.618 -23.138 -5.757 1.00 0.00 O ATOM 439 CB ARG A 28 -4.843 -24.799 -6.296 1.00 0.00 C ATOM 440 CG ARG A 28 -4.184 -26.066 -5.716 1.00 0.00 C ATOM 441 CD ARG A 28 -2.736 -25.915 -5.241 1.00 0.00 C ATOM 442 NE ARG A 28 -2.447 -26.978 -4.260 1.00 0.00 N ATOM 443 CZ ARG A 28 -1.686 -26.892 -3.165 1.00 0.00 C ATOM 444 NH1 ARG A 28 -0.807 -25.911 -3.002 1.00 0.00 N ATOM 445 NH2 ARG A 28 -1.840 -27.809 -2.223 1.00 0.00 N ATOM 0 H ARG A 28 -5.826 -26.183 -8.107 1.00 0.00 H new ATOM 0 HA ARG A 28 -6.709 -25.406 -5.473 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.407 -24.559 -7.266 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.658 -23.946 -5.643 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.786 -26.412 -4.876 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -4.216 -26.848 -6.475 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -2.052 -25.985 -6.087 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -2.587 -24.934 -4.790 1.00 0.00 H new ATOM 0 HE ARG A 28 -2.879 -27.885 -4.438 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -0.699 -25.198 -3.723 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -0.239 -25.870 -2.156 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.525 -28.555 -2.344 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.273 -27.770 -1.376 1.00 0.00 H new ATOM 459 N ALA A 29 -7.434 -23.440 -7.979 1.00 0.00 N ATOM 460 CA ALA A 29 -8.372 -22.381 -8.316 1.00 0.00 C ATOM 461 C ALA A 29 -9.784 -22.785 -7.878 1.00 0.00 C ATOM 462 O ALA A 29 -10.530 -21.945 -7.380 1.00 0.00 O ATOM 463 CB ALA A 29 -8.324 -22.078 -9.816 1.00 0.00 C ATOM 0 H ALA A 29 -7.010 -23.896 -8.787 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.091 -21.471 -7.786 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.032 -21.283 -10.049 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.318 -21.760 -10.091 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.587 -22.975 -10.377 1.00 0.00 H new ATOM 469 N MET A 30 -10.156 -24.065 -8.004 1.00 0.00 N ATOM 470 CA MET A 30 -11.433 -24.550 -7.483 1.00 0.00 C ATOM 471 C MET A 30 -11.472 -24.503 -5.957 1.00 0.00 C ATOM 472 O MET A 30 -12.508 -24.149 -5.407 1.00 0.00 O ATOM 473 CB MET A 30 -11.767 -25.951 -8.008 1.00 0.00 C ATOM 474 CG MET A 30 -12.031 -25.954 -9.515 1.00 0.00 C ATOM 475 SD MET A 30 -13.529 -25.059 -10.028 1.00 0.00 S ATOM 476 CE MET A 30 -12.850 -23.444 -10.504 1.00 0.00 C ATOM 0 H MET A 30 -9.590 -24.779 -8.462 1.00 0.00 H new ATOM 0 HA MET A 30 -12.205 -23.874 -7.851 1.00 0.00 H new ATOM 0 HB2 MET A 30 -10.942 -26.628 -7.784 1.00 0.00 H new ATOM 0 HB3 MET A 30 -12.644 -26.333 -7.486 1.00 0.00 H new ATOM 0 HG2 MET A 30 -11.171 -25.515 -10.021 1.00 0.00 H new ATOM 0 HG3 MET A 30 -12.108 -26.987 -9.854 1.00 0.00 H new ATOM 0 HE1 MET A 30 -13.582 -22.665 -10.293 1.00 0.00 H new ATOM 0 HE2 MET A 30 -11.940 -23.250 -9.936 1.00 0.00 H new ATOM 0 HE3 MET A 30 -12.619 -23.446 -11.569 1.00 0.00 H new ATOM 486 N GLY A 31 -10.365 -24.786 -5.266 1.00 0.00 N ATOM 487 CA GLY A 31 -10.273 -24.632 -3.813 1.00 0.00 C ATOM 488 C GLY A 31 -10.655 -23.210 -3.382 1.00 0.00 C ATOM 489 O GLY A 31 -11.585 -23.022 -2.582 1.00 0.00 O ATOM 0 H GLY A 31 -9.507 -25.128 -5.699 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -10.931 -25.352 -3.326 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -9.258 -24.854 -3.484 1.00 0.00 H new ATOM 493 N TRP A 32 -9.996 -22.213 -3.992 1.00 0.00 N ATOM 494 CA TRP A 32 -10.352 -20.810 -3.846 1.00 0.00 C ATOM 495 C TRP A 32 -11.839 -20.600 -4.130 1.00 0.00 C ATOM 496 O TRP A 32 -12.543 -20.057 -3.280 1.00 0.00 O ATOM 497 CB TRP A 32 -9.520 -19.926 -4.787 1.00 0.00 C ATOM 498 CG TRP A 32 -8.228 -19.430 -4.236 1.00 0.00 C ATOM 499 CD1 TRP A 32 -7.004 -19.938 -4.494 1.00 0.00 C ATOM 500 CD2 TRP A 32 -8.013 -18.298 -3.341 1.00 0.00 C ATOM 501 NE1 TRP A 32 -6.050 -19.187 -3.844 1.00 0.00 N ATOM 502 CE2 TRP A 32 -6.616 -18.186 -3.084 1.00 0.00 C ATOM 503 CE3 TRP A 32 -8.860 -17.354 -2.719 1.00 0.00 C ATOM 504 CZ2 TRP A 32 -6.091 -17.210 -2.225 1.00 0.00 C ATOM 505 CZ3 TRP A 32 -8.340 -16.367 -1.860 1.00 0.00 C ATOM 506 CH2 TRP A 32 -6.960 -16.298 -1.607 1.00 0.00 C ATOM 0 H TRP A 32 -9.195 -22.369 -4.604 1.00 0.00 H new ATOM 0 HA TRP A 32 -10.138 -20.522 -2.817 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -9.313 -20.490 -5.696 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -10.124 -19.066 -5.076 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -6.804 -20.800 -5.114 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -5.046 -19.352 -3.916 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -9.923 -17.390 -2.905 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -5.028 -17.161 -2.041 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -9.007 -15.658 -1.392 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -6.569 -15.545 -0.939 1.00 0.00 H new ATOM 517 N TYR A 33 -12.316 -21.042 -5.300 1.00 0.00 N ATOM 518 CA TYR A 33 -13.690 -20.833 -5.732 1.00 0.00 C ATOM 519 C TYR A 33 -14.674 -21.355 -4.688 1.00 0.00 C ATOM 520 O TYR A 33 -15.607 -20.636 -4.341 1.00 0.00 O ATOM 521 CB TYR A 33 -13.934 -21.510 -7.091 1.00 0.00 C ATOM 522 CG TYR A 33 -15.339 -21.332 -7.641 1.00 0.00 C ATOM 523 CD1 TYR A 33 -16.404 -22.105 -7.137 1.00 0.00 C ATOM 524 CD2 TYR A 33 -15.584 -20.399 -8.664 1.00 0.00 C ATOM 525 CE1 TYR A 33 -17.714 -21.911 -7.605 1.00 0.00 C ATOM 526 CE2 TYR A 33 -16.879 -20.250 -9.188 1.00 0.00 C ATOM 527 CZ TYR A 33 -17.957 -20.987 -8.647 1.00 0.00 C ATOM 528 OH TYR A 33 -19.217 -20.793 -9.129 1.00 0.00 O ATOM 0 H TYR A 33 -11.750 -21.558 -5.973 1.00 0.00 H new ATOM 0 HA TYR A 33 -13.853 -19.761 -5.844 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -13.222 -21.112 -7.814 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -13.728 -22.576 -6.994 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -16.211 -22.854 -6.383 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -14.775 -19.795 -9.048 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -18.533 -22.466 -7.170 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -17.052 -19.569 -10.008 1.00 0.00 H new ATOM 0 HH TYR A 33 -19.195 -20.121 -9.842 1.00 0.00 H new ATOM 538 N TYR A 34 -14.488 -22.582 -4.189 1.00 0.00 N ATOM 539 CA TYR A 34 -15.462 -23.233 -3.328 1.00 0.00 C ATOM 540 C TYR A 34 -15.642 -22.435 -2.044 1.00 0.00 C ATOM 541 O TYR A 34 -16.777 -22.083 -1.713 1.00 0.00 O ATOM 542 CB TYR A 34 -15.051 -24.682 -3.004 1.00 0.00 C ATOM 543 CG TYR A 34 -15.008 -25.670 -4.163 1.00 0.00 C ATOM 544 CD1 TYR A 34 -16.016 -25.685 -5.150 1.00 0.00 C ATOM 545 CD2 TYR A 34 -13.971 -26.624 -4.220 1.00 0.00 C ATOM 546 CE1 TYR A 34 -15.970 -26.620 -6.199 1.00 0.00 C ATOM 547 CE2 TYR A 34 -13.922 -27.568 -5.261 1.00 0.00 C ATOM 548 CZ TYR A 34 -14.922 -27.566 -6.262 1.00 0.00 C ATOM 549 OH TYR A 34 -14.893 -28.472 -7.280 1.00 0.00 O ATOM 0 H TYR A 34 -13.658 -23.145 -4.374 1.00 0.00 H new ATOM 0 HA TYR A 34 -16.411 -23.269 -3.863 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -14.063 -24.658 -2.544 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -15.742 -25.070 -2.255 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -16.828 -24.974 -5.099 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -13.207 -26.630 -3.457 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -16.738 -26.615 -6.959 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -13.123 -28.293 -5.296 1.00 0.00 H new ATOM 0 HH TYR A 34 -14.109 -29.051 -7.180 1.00 0.00 H new ATOM 559 N TYR A 35 -14.553 -22.127 -1.325 1.00 0.00 N ATOM 560 CA TYR A 35 -14.720 -21.434 -0.048 1.00 0.00 C ATOM 561 C TYR A 35 -15.146 -19.976 -0.279 1.00 0.00 C ATOM 562 O TYR A 35 -15.944 -19.447 0.496 1.00 0.00 O ATOM 563 CB TYR A 35 -13.481 -21.566 0.852 1.00 0.00 C ATOM 564 CG TYR A 35 -12.575 -20.354 0.856 1.00 0.00 C ATOM 565 CD1 TYR A 35 -11.655 -20.174 -0.187 1.00 0.00 C ATOM 566 CD2 TYR A 35 -12.715 -19.368 1.852 1.00 0.00 C ATOM 567 CE1 TYR A 35 -10.870 -19.012 -0.243 1.00 0.00 C ATOM 568 CE2 TYR A 35 -11.934 -18.202 1.806 1.00 0.00 C ATOM 569 CZ TYR A 35 -11.008 -18.016 0.753 1.00 0.00 C ATOM 570 OH TYR A 35 -10.257 -16.882 0.695 1.00 0.00 O ATOM 0 H TYR A 35 -13.591 -22.336 -1.592 1.00 0.00 H new ATOM 0 HA TYR A 35 -15.526 -21.922 0.501 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -13.809 -21.762 1.873 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -12.905 -22.433 0.530 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -11.550 -20.932 -0.949 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -13.425 -19.509 2.653 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -10.161 -18.878 -1.046 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -12.040 -17.449 2.573 1.00 0.00 H new ATOM 0 HH TYR A 35 -9.735 -16.877 -0.135 1.00 0.00 H new ATOM 580 N LEU A 36 -14.655 -19.329 -1.345 1.00 0.00 N ATOM 581 CA LEU A 36 -14.994 -17.946 -1.650 1.00 0.00 C ATOM 582 C LEU A 36 -16.483 -17.840 -1.958 1.00 0.00 C ATOM 583 O LEU A 36 -17.169 -17.035 -1.336 1.00 0.00 O ATOM 584 CB LEU A 36 -14.143 -17.442 -2.828 1.00 0.00 C ATOM 585 CG LEU A 36 -14.472 -16.008 -3.284 1.00 0.00 C ATOM 586 CD1 LEU A 36 -14.267 -14.968 -2.174 1.00 0.00 C ATOM 587 CD2 LEU A 36 -13.583 -15.652 -4.479 1.00 0.00 C ATOM 0 H LEU A 36 -14.014 -19.755 -2.014 1.00 0.00 H new ATOM 0 HA LEU A 36 -14.777 -17.317 -0.787 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -13.091 -17.488 -2.546 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -14.277 -18.118 -3.672 1.00 0.00 H new ATOM 0 HG LEU A 36 -15.527 -15.984 -3.556 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -14.514 -13.977 -2.554 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -14.914 -15.205 -1.330 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -13.227 -14.983 -1.849 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -13.808 -14.638 -4.810 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -12.535 -15.714 -4.184 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -13.772 -16.350 -5.294 1.00 0.00 H new ATOM 599 N ASP A 37 -17.000 -18.668 -2.865 1.00 0.00 N ATOM 600 CA ASP A 37 -18.408 -18.660 -3.254 1.00 0.00 C ATOM 601 C ASP A 37 -19.309 -18.943 -2.052 1.00 0.00 C ATOM 602 O ASP A 37 -20.342 -18.296 -1.887 1.00 0.00 O ATOM 603 CB ASP A 37 -18.660 -19.699 -4.350 1.00 0.00 C ATOM 604 CG ASP A 37 -20.135 -19.697 -4.773 1.00 0.00 C ATOM 605 OD1 ASP A 37 -20.537 -18.795 -5.540 1.00 0.00 O ATOM 606 OD2 ASP A 37 -20.885 -20.614 -4.368 1.00 0.00 O ATOM 0 H ASP A 37 -16.446 -19.370 -3.355 1.00 0.00 H new ATOM 0 HA ASP A 37 -18.647 -17.668 -3.638 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -18.029 -19.485 -5.213 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -18.382 -20.689 -3.990 1.00 0.00 H new ATOM 611 N ASP A 38 -18.888 -19.862 -1.176 1.00 0.00 N ATOM 612 CA ASP A 38 -19.588 -20.162 0.074 1.00 0.00 C ATOM 613 C ASP A 38 -19.563 -18.990 1.072 1.00 0.00 C ATOM 614 O ASP A 38 -20.475 -18.866 1.891 1.00 0.00 O ATOM 615 CB ASP A 38 -18.980 -21.411 0.723 1.00 0.00 C ATOM 616 CG ASP A 38 -19.697 -21.775 2.034 1.00 0.00 C ATOM 617 OD1 ASP A 38 -20.859 -22.237 1.984 1.00 0.00 O ATOM 618 OD2 ASP A 38 -19.087 -21.650 3.119 1.00 0.00 O ATOM 0 H ASP A 38 -18.047 -20.421 -1.317 1.00 0.00 H new ATOM 0 HA ASP A 38 -20.633 -20.340 -0.181 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -19.042 -22.249 0.029 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -17.922 -21.240 0.922 1.00 0.00 H new ATOM 623 N THR A 39 -18.553 -18.117 1.005 1.00 0.00 N ATOM 624 CA THR A 39 -18.404 -16.985 1.917 1.00 0.00 C ATOM 625 C THR A 39 -19.138 -15.743 1.391 1.00 0.00 C ATOM 626 O THR A 39 -19.753 -15.025 2.182 1.00 0.00 O ATOM 627 CB THR A 39 -16.906 -16.695 2.133 1.00 0.00 C ATOM 628 OG1 THR A 39 -16.254 -17.844 2.639 1.00 0.00 O ATOM 629 CG2 THR A 39 -16.674 -15.532 3.109 1.00 0.00 C ATOM 0 H THR A 39 -17.810 -18.179 0.309 1.00 0.00 H new ATOM 0 HA THR A 39 -18.858 -17.242 2.874 1.00 0.00 H new ATOM 0 HB THR A 39 -16.496 -16.418 1.162 1.00 0.00 H new ATOM 0 HG1 THR A 39 -16.020 -18.441 1.898 1.00 0.00 H new ATOM 0 HG21 THR A 39 -15.603 -15.366 3.229 1.00 0.00 H new ATOM 0 HG22 THR A 39 -17.140 -14.628 2.716 1.00 0.00 H new ATOM 0 HG23 THR A 39 -17.114 -15.775 4.076 1.00 0.00 H new ATOM 637 N LEU A 40 -19.077 -15.476 0.081 1.00 0.00 N ATOM 638 CA LEU A 40 -19.651 -14.276 -0.520 1.00 0.00 C ATOM 639 C LEU A 40 -21.160 -14.242 -0.264 1.00 0.00 C ATOM 640 O LEU A 40 -21.873 -15.200 -0.559 1.00 0.00 O ATOM 641 CB LEU A 40 -19.369 -14.216 -2.035 1.00 0.00 C ATOM 642 CG LEU A 40 -17.908 -13.933 -2.437 1.00 0.00 C ATOM 643 CD1 LEU A 40 -17.771 -14.032 -3.961 1.00 0.00 C ATOM 644 CD2 LEU A 40 -17.386 -12.578 -1.955 1.00 0.00 C ATOM 0 H LEU A 40 -18.624 -16.094 -0.593 1.00 0.00 H new ATOM 0 HA LEU A 40 -19.183 -13.406 -0.059 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -19.670 -15.165 -2.479 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -20.002 -13.444 -2.473 1.00 0.00 H new ATOM 0 HG LEU A 40 -17.296 -14.687 -1.942 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -16.738 -13.832 -4.247 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -18.051 -15.034 -4.287 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -18.427 -13.301 -4.434 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -16.352 -12.451 -2.276 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -17.998 -11.781 -2.378 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -17.436 -12.535 -0.867 1.00 0.00 H new ATOM 656 N GLU A 41 -21.660 -13.105 0.219 1.00 0.00 N ATOM 657 CA GLU A 41 -23.079 -12.845 0.492 1.00 0.00 C ATOM 658 C GLU A 41 -23.878 -12.513 -0.787 1.00 0.00 C ATOM 659 O GLU A 41 -24.930 -11.878 -0.709 1.00 0.00 O ATOM 660 CB GLU A 41 -23.156 -11.700 1.522 1.00 0.00 C ATOM 661 CG GLU A 41 -22.721 -10.337 0.951 1.00 0.00 C ATOM 662 CD GLU A 41 -22.496 -9.317 2.069 1.00 0.00 C ATOM 663 OE1 GLU A 41 -21.357 -9.275 2.581 1.00 0.00 O ATOM 664 OE2 GLU A 41 -23.434 -8.565 2.423 1.00 0.00 O ATOM 0 H GLU A 41 -21.066 -12.306 0.441 1.00 0.00 H new ATOM 0 HA GLU A 41 -23.541 -13.748 0.892 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -24.178 -11.622 1.892 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -22.526 -11.946 2.376 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -21.804 -10.457 0.374 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -23.483 -9.967 0.265 1.00 0.00 H new ATOM 671 N PHE A 42 -23.355 -12.892 -1.960 1.00 0.00 N ATOM 672 CA PHE A 42 -23.825 -12.480 -3.279 1.00 0.00 C ATOM 673 C PHE A 42 -25.357 -12.540 -3.474 1.00 0.00 C ATOM 674 O PHE A 42 -25.996 -13.472 -2.972 1.00 0.00 O ATOM 675 CB PHE A 42 -23.086 -13.271 -4.371 1.00 0.00 C ATOM 676 CG PHE A 42 -23.468 -14.739 -4.498 1.00 0.00 C ATOM 677 CD1 PHE A 42 -24.559 -15.122 -5.305 1.00 0.00 C ATOM 678 CD2 PHE A 42 -22.733 -15.729 -3.819 1.00 0.00 C ATOM 679 CE1 PHE A 42 -24.917 -16.476 -5.422 1.00 0.00 C ATOM 680 CE2 PHE A 42 -23.093 -17.083 -3.933 1.00 0.00 C ATOM 681 CZ PHE A 42 -24.184 -17.459 -4.735 1.00 0.00 C ATOM 0 H PHE A 42 -22.556 -13.524 -2.012 1.00 0.00 H new ATOM 0 HA PHE A 42 -23.586 -11.420 -3.364 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -23.265 -12.784 -5.330 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -22.015 -13.209 -4.177 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -25.123 -14.370 -5.837 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -21.889 -15.447 -3.208 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -25.756 -16.761 -6.040 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -22.530 -17.836 -3.403 1.00 0.00 H new ATOM 0 HZ PHE A 42 -24.458 -18.500 -4.823 1.00 0.00 H new ATOM 691 N PRO A 43 -25.951 -11.626 -4.272 1.00 0.00 N ATOM 692 CA PRO A 43 -25.338 -10.422 -4.839 1.00 0.00 C ATOM 693 C PRO A 43 -24.846 -9.431 -3.769 1.00 0.00 C ATOM 694 O PRO A 43 -25.403 -9.360 -2.673 1.00 0.00 O ATOM 695 CB PRO A 43 -26.419 -9.763 -5.706 1.00 0.00 C ATOM 696 CG PRO A 43 -27.371 -10.910 -6.034 1.00 0.00 C ATOM 697 CD PRO A 43 -27.310 -11.765 -4.771 1.00 0.00 C ATOM 0 HA PRO A 43 -24.452 -10.700 -5.410 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -26.928 -8.961 -5.171 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -25.995 -9.324 -6.609 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -28.382 -10.554 -6.234 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -27.049 -11.465 -6.915 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -28.036 -11.426 -4.032 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -27.543 -12.807 -4.991 1.00 0.00 H new ATOM 705 N PHE A 44 -23.820 -8.650 -4.107 1.00 0.00 N ATOM 706 CA PHE A 44 -23.289 -7.547 -3.301 1.00 0.00 C ATOM 707 C PHE A 44 -22.899 -6.411 -4.254 1.00 0.00 C ATOM 708 O PHE A 44 -23.223 -6.489 -5.438 1.00 0.00 O ATOM 709 CB PHE A 44 -22.135 -8.032 -2.401 1.00 0.00 C ATOM 710 CG PHE A 44 -20.849 -8.463 -3.091 1.00 0.00 C ATOM 711 CD1 PHE A 44 -20.720 -9.766 -3.611 1.00 0.00 C ATOM 712 CD2 PHE A 44 -19.753 -7.581 -3.161 1.00 0.00 C ATOM 713 CE1 PHE A 44 -19.511 -10.180 -4.198 1.00 0.00 C ATOM 714 CE2 PHE A 44 -18.546 -7.992 -3.753 1.00 0.00 C ATOM 715 CZ PHE A 44 -18.422 -9.295 -4.266 1.00 0.00 C ATOM 0 H PHE A 44 -23.315 -8.772 -4.985 1.00 0.00 H new ATOM 0 HA PHE A 44 -24.041 -7.164 -2.611 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -21.892 -7.231 -1.703 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -22.498 -8.872 -1.809 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -21.554 -10.450 -3.559 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -19.840 -6.583 -2.757 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -19.420 -11.179 -4.597 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -17.714 -7.306 -3.814 1.00 0.00 H new ATOM 0 HZ PHE A 44 -17.492 -9.615 -4.711 1.00 0.00 H new ATOM 725 N MET A 45 -22.231 -5.350 -3.791 1.00 0.00 N ATOM 726 CA MET A 45 -21.834 -4.245 -4.665 1.00 0.00 C ATOM 727 C MET A 45 -20.368 -3.863 -4.490 1.00 0.00 C ATOM 728 O MET A 45 -19.706 -4.262 -3.531 1.00 0.00 O ATOM 729 CB MET A 45 -22.790 -3.049 -4.506 1.00 0.00 C ATOM 730 CG MET A 45 -22.534 -2.161 -3.277 1.00 0.00 C ATOM 731 SD MET A 45 -22.894 -0.399 -3.533 1.00 0.00 S ATOM 732 CE MET A 45 -21.606 0.048 -4.742 1.00 0.00 C ATOM 0 H MET A 45 -21.954 -5.234 -2.816 1.00 0.00 H new ATOM 0 HA MET A 45 -21.921 -4.589 -5.695 1.00 0.00 H new ATOM 0 HB2 MET A 45 -22.723 -2.430 -5.401 1.00 0.00 H new ATOM 0 HB3 MET A 45 -23.811 -3.426 -4.455 1.00 0.00 H new ATOM 0 HG2 MET A 45 -23.140 -2.526 -2.448 1.00 0.00 H new ATOM 0 HG3 MET A 45 -21.491 -2.266 -2.979 1.00 0.00 H new ATOM 0 HE1 MET A 45 -21.345 1.100 -4.623 1.00 0.00 H new ATOM 0 HE2 MET A 45 -20.721 -0.567 -4.575 1.00 0.00 H new ATOM 0 HE3 MET A 45 -21.980 -0.121 -5.752 1.00 0.00 H new ATOM 742 N GLY A 46 -19.865 -3.058 -5.418 1.00 0.00 N ATOM 743 CA GLY A 46 -18.486 -2.625 -5.409 1.00 0.00 C ATOM 744 C GLY A 46 -18.238 -1.498 -6.388 1.00 0.00 C ATOM 745 O GLY A 46 -19.149 -1.012 -7.064 1.00 0.00 O ATOM 0 H GLY A 46 -20.410 -2.690 -6.198 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -18.215 -2.299 -4.405 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -17.840 -3.468 -5.655 1.00 0.00 H new ATOM 749 N LYS A 47 -16.974 -1.100 -6.462 1.00 0.00 N ATOM 750 CA LYS A 47 -16.469 -0.193 -7.476 1.00 0.00 C ATOM 751 C LYS A 47 -15.470 -0.986 -8.307 1.00 0.00 C ATOM 752 O LYS A 47 -14.495 -1.505 -7.763 1.00 0.00 O ATOM 753 CB LYS A 47 -15.825 1.035 -6.807 1.00 0.00 C ATOM 754 CG LYS A 47 -15.646 2.204 -7.787 1.00 0.00 C ATOM 755 CD LYS A 47 -16.942 3.000 -8.008 1.00 0.00 C ATOM 756 CE LYS A 47 -17.298 3.902 -6.817 1.00 0.00 C ATOM 757 NZ LYS A 47 -18.417 4.823 -7.139 1.00 0.00 N ATOM 0 H LYS A 47 -16.259 -1.407 -5.803 1.00 0.00 H new ATOM 0 HA LYS A 47 -17.263 0.188 -8.118 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -16.444 1.357 -5.970 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -14.855 0.756 -6.397 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -14.874 2.874 -7.409 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -15.294 1.819 -8.744 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -16.838 3.613 -8.903 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -17.763 2.306 -8.190 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -17.570 3.284 -5.961 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -16.422 4.482 -6.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -18.915 5.084 -6.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -18.041 5.680 -7.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -19.080 4.351 -7.787 1.00 0.00 H new ATOM 771 N TRP A 48 -15.715 -1.109 -9.607 1.00 0.00 N ATOM 772 CA TRP A 48 -14.743 -1.647 -10.542 1.00 0.00 C ATOM 773 C TRP A 48 -13.744 -0.519 -10.790 1.00 0.00 C ATOM 774 O TRP A 48 -14.079 0.490 -11.413 1.00 0.00 O ATOM 775 CB TRP A 48 -15.447 -2.140 -11.819 1.00 0.00 C ATOM 776 CG TRP A 48 -14.623 -2.896 -12.826 1.00 0.00 C ATOM 777 CD1 TRP A 48 -13.280 -3.055 -12.814 1.00 0.00 C ATOM 778 CD2 TRP A 48 -15.078 -3.628 -14.011 1.00 0.00 C ATOM 779 NE1 TRP A 48 -12.879 -3.826 -13.879 1.00 0.00 N ATOM 780 CE2 TRP A 48 -13.945 -4.222 -14.646 1.00 0.00 C ATOM 781 CE3 TRP A 48 -16.334 -3.854 -14.616 1.00 0.00 C ATOM 782 CZ2 TRP A 48 -14.049 -5.008 -15.801 1.00 0.00 C ATOM 783 CZ3 TRP A 48 -16.453 -4.643 -15.778 1.00 0.00 C ATOM 784 CH2 TRP A 48 -15.314 -5.224 -16.365 1.00 0.00 C ATOM 0 H TRP A 48 -16.597 -0.836 -10.040 1.00 0.00 H new ATOM 0 HA TRP A 48 -14.219 -2.522 -10.156 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -16.278 -2.779 -11.518 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -15.877 -1.273 -12.321 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -12.616 -2.635 -12.072 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -11.909 -4.073 -14.075 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -17.219 -3.414 -14.181 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -13.168 -5.441 -16.250 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -17.425 -4.803 -16.221 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -15.414 -5.836 -17.249 1.00 0.00 H new ATOM 795 N LYS A 49 -12.533 -0.669 -10.252 1.00 0.00 N ATOM 796 CA LYS A 49 -11.404 0.242 -10.431 1.00 0.00 C ATOM 797 C LYS A 49 -10.735 -0.017 -11.784 1.00 0.00 C ATOM 798 O LYS A 49 -9.538 -0.301 -11.837 1.00 0.00 O ATOM 799 CB LYS A 49 -10.415 0.044 -9.261 1.00 0.00 C ATOM 800 CG LYS A 49 -10.985 0.351 -7.870 1.00 0.00 C ATOM 801 CD LYS A 49 -11.456 1.808 -7.774 1.00 0.00 C ATOM 802 CE LYS A 49 -11.936 2.180 -6.371 1.00 0.00 C ATOM 803 NZ LYS A 49 -10.875 2.123 -5.338 1.00 0.00 N ATOM 0 H LYS A 49 -12.303 -1.463 -9.654 1.00 0.00 H new ATOM 0 HA LYS A 49 -11.747 1.277 -10.427 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -10.063 -0.988 -9.273 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.545 0.679 -9.429 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -11.819 -0.318 -7.660 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -10.225 0.161 -7.112 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -10.639 2.470 -8.062 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -12.265 1.972 -8.486 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -12.352 3.187 -6.395 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -12.745 1.508 -6.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -11.205 1.554 -4.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -10.021 1.689 -5.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -10.654 3.086 -5.014 1.00 0.00 H new ATOM 817 N LYS A 50 -11.513 0.007 -12.868 1.00 0.00 N ATOM 818 CA LYS A 50 -11.051 -0.391 -14.192 1.00 0.00 C ATOM 819 C LYS A 50 -9.836 0.450 -14.561 1.00 0.00 C ATOM 820 O LYS A 50 -9.946 1.668 -14.695 1.00 0.00 O ATOM 821 CB LYS A 50 -12.196 -0.258 -15.208 1.00 0.00 C ATOM 822 CG LYS A 50 -11.746 -0.674 -16.621 1.00 0.00 C ATOM 823 CD LYS A 50 -12.910 -0.794 -17.617 1.00 0.00 C ATOM 824 CE LYS A 50 -13.845 -1.963 -17.269 1.00 0.00 C ATOM 825 NZ LYS A 50 -14.901 -2.170 -18.292 1.00 0.00 N ATOM 0 H LYS A 50 -12.488 0.306 -12.848 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.747 -1.438 -14.198 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -13.036 -0.878 -14.895 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -12.550 0.773 -15.226 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -11.029 0.056 -16.996 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -11.226 -1.630 -16.563 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -13.479 0.136 -17.624 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -12.514 -0.933 -18.623 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -13.258 -2.876 -17.168 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -14.312 -1.775 -16.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -15.505 -2.969 -18.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -15.480 -1.310 -18.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -14.459 -2.376 -19.210 1.00 0.00 H new ATOM 976 N GLU A 59 -10.615 4.333 -13.973 1.00 0.00 N ATOM 977 CA GLU A 59 -12.002 4.730 -14.099 1.00 0.00 C ATOM 978 C GLU A 59 -12.732 3.929 -13.022 1.00 0.00 C ATOM 979 O GLU A 59 -12.402 2.767 -12.765 1.00 0.00 O ATOM 980 CB GLU A 59 -12.495 4.399 -15.515 1.00 0.00 C ATOM 981 CG GLU A 59 -12.015 5.460 -16.520 1.00 0.00 C ATOM 982 CD GLU A 59 -11.824 4.888 -17.928 1.00 0.00 C ATOM 983 OE1 GLU A 59 -12.796 4.421 -18.565 1.00 0.00 O ATOM 984 OE2 GLU A 59 -10.679 4.918 -18.429 1.00 0.00 O ATOM 0 HA GLU A 59 -12.169 5.798 -13.962 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.128 3.417 -15.813 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -13.584 4.349 -15.524 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -12.738 6.275 -16.557 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -11.073 5.885 -16.173 1.00 0.00 H new ATOM 991 N GLU A 60 -13.703 4.554 -12.363 1.00 0.00 N ATOM 992 CA GLU A 60 -14.338 4.012 -11.172 1.00 0.00 C ATOM 993 C GLU A 60 -15.813 3.811 -11.502 1.00 0.00 C ATOM 994 O GLU A 60 -16.589 4.770 -11.530 1.00 0.00 O ATOM 995 CB GLU A 60 -14.110 4.963 -9.981 1.00 0.00 C ATOM 996 CG GLU A 60 -12.627 5.103 -9.608 1.00 0.00 C ATOM 997 CD GLU A 60 -12.444 5.974 -8.353 1.00 0.00 C ATOM 998 OE1 GLU A 60 -12.457 5.431 -7.226 1.00 0.00 O ATOM 999 OE2 GLU A 60 -12.270 7.208 -8.483 1.00 0.00 O ATOM 0 H GLU A 60 -14.073 5.461 -12.646 1.00 0.00 H new ATOM 0 HA GLU A 60 -13.910 3.053 -10.879 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -14.513 5.946 -10.224 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -14.664 4.596 -9.117 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -12.199 4.116 -9.433 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -12.081 5.544 -10.442 1.00 0.00 H new ATOM 1006 N LYS A 61 -16.193 2.566 -11.799 1.00 0.00 N ATOM 1007 CA LYS A 61 -17.545 2.224 -12.236 1.00 0.00 C ATOM 1008 C LYS A 61 -18.254 1.541 -11.077 1.00 0.00 C ATOM 1009 O LYS A 61 -17.776 0.518 -10.589 1.00 0.00 O ATOM 1010 CB LYS A 61 -17.437 1.338 -13.487 1.00 0.00 C ATOM 1011 CG LYS A 61 -18.797 0.835 -13.990 1.00 0.00 C ATOM 1012 CD LYS A 61 -18.657 0.058 -15.310 1.00 0.00 C ATOM 1013 CE LYS A 61 -18.461 0.969 -16.535 1.00 0.00 C ATOM 1014 NZ LYS A 61 -19.625 1.860 -16.775 1.00 0.00 N ATOM 0 H LYS A 61 -15.566 1.763 -11.742 1.00 0.00 H new ATOM 0 HA LYS A 61 -18.131 3.101 -12.510 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -16.948 1.901 -14.282 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -16.800 0.482 -13.264 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -19.251 0.193 -13.235 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -19.469 1.681 -14.134 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -17.810 -0.624 -15.234 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -19.547 -0.554 -15.460 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -17.567 1.576 -16.393 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -18.291 0.353 -17.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -19.348 2.626 -17.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -20.400 1.312 -17.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -19.942 2.267 -15.872 1.00 0.00 H new ATOM 1028 N THR A 62 -19.357 2.104 -10.598 1.00 0.00 N ATOM 1029 CA THR A 62 -20.159 1.483 -9.553 1.00 0.00 C ATOM 1030 C THR A 62 -20.857 0.255 -10.148 1.00 0.00 C ATOM 1031 O THR A 62 -21.449 0.339 -11.229 1.00 0.00 O ATOM 1032 CB THR A 62 -21.151 2.517 -9.000 1.00 0.00 C ATOM 1033 OG1 THR A 62 -20.484 3.753 -8.795 1.00 0.00 O ATOM 1034 CG2 THR A 62 -21.720 2.082 -7.651 1.00 0.00 C ATOM 0 H THR A 62 -19.719 3.001 -10.922 1.00 0.00 H new ATOM 0 HA THR A 62 -19.543 1.149 -8.718 1.00 0.00 H new ATOM 0 HB THR A 62 -21.959 2.612 -9.726 1.00 0.00 H new ATOM 0 HG1 THR A 62 -20.907 4.234 -8.053 1.00 0.00 H new ATOM 0 HG21 THR A 62 -22.418 2.837 -7.290 1.00 0.00 H new ATOM 0 HG22 THR A 62 -22.241 1.132 -7.765 1.00 0.00 H new ATOM 0 HG23 THR A 62 -20.908 1.966 -6.934 1.00 0.00 H new ATOM 1042 N VAL A 63 -20.787 -0.877 -9.448 1.00 0.00 N ATOM 1043 CA VAL A 63 -21.251 -2.156 -9.962 1.00 0.00 C ATOM 1044 C VAL A 63 -21.949 -2.982 -8.884 1.00 0.00 C ATOM 1045 O VAL A 63 -21.654 -2.852 -7.695 1.00 0.00 O ATOM 1046 CB VAL A 63 -20.080 -2.955 -10.562 1.00 0.00 C ATOM 1047 CG1 VAL A 63 -19.547 -2.357 -11.869 1.00 0.00 C ATOM 1048 CG2 VAL A 63 -18.894 -3.182 -9.608 1.00 0.00 C ATOM 0 H VAL A 63 -20.404 -0.928 -8.504 1.00 0.00 H new ATOM 0 HA VAL A 63 -21.979 -1.945 -10.745 1.00 0.00 H new ATOM 0 HB VAL A 63 -20.535 -3.925 -10.762 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -18.723 -2.967 -12.239 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -20.345 -2.336 -12.611 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -19.193 -1.342 -11.687 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -18.120 -3.753 -10.120 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -18.489 -2.219 -9.296 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -19.233 -3.734 -8.731 1.00 0.00 H new ATOM 1058 N GLU A 64 -22.849 -3.864 -9.316 1.00 0.00 N ATOM 1059 CA GLU A 64 -23.445 -4.894 -8.477 1.00 0.00 C ATOM 1060 C GLU A 64 -22.745 -6.182 -8.902 1.00 0.00 C ATOM 1061 O GLU A 64 -22.697 -6.490 -10.092 1.00 0.00 O ATOM 1062 CB GLU A 64 -24.965 -4.955 -8.685 1.00 0.00 C ATOM 1063 CG GLU A 64 -25.644 -5.976 -7.762 1.00 0.00 C ATOM 1064 CD GLU A 64 -27.173 -5.968 -7.937 1.00 0.00 C ATOM 1065 OE1 GLU A 64 -27.700 -6.704 -8.801 1.00 0.00 O ATOM 1066 OE2 GLU A 64 -27.868 -5.236 -7.196 1.00 0.00 O ATOM 0 H GLU A 64 -23.189 -3.880 -10.278 1.00 0.00 H new ATOM 0 HA GLU A 64 -23.314 -4.704 -7.412 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -25.393 -3.968 -8.507 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -25.176 -5.212 -9.723 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -25.258 -6.973 -7.975 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -25.395 -5.752 -6.725 1.00 0.00 H new ATOM 1073 N VAL A 65 -22.157 -6.903 -7.957 1.00 0.00 N ATOM 1074 CA VAL A 65 -21.440 -8.142 -8.199 1.00 0.00 C ATOM 1075 C VAL A 65 -22.454 -9.253 -7.935 1.00 0.00 C ATOM 1076 O VAL A 65 -22.891 -9.450 -6.798 1.00 0.00 O ATOM 1077 CB VAL A 65 -20.183 -8.214 -7.307 1.00 0.00 C ATOM 1078 CG1 VAL A 65 -19.321 -9.408 -7.732 1.00 0.00 C ATOM 1079 CG2 VAL A 65 -19.326 -6.937 -7.413 1.00 0.00 C ATOM 0 H VAL A 65 -22.168 -6.632 -6.974 1.00 0.00 H new ATOM 0 HA VAL A 65 -21.059 -8.230 -9.217 1.00 0.00 H new ATOM 0 HB VAL A 65 -20.522 -8.321 -6.276 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -18.433 -9.458 -7.102 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -19.895 -10.328 -7.624 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -19.021 -9.288 -8.773 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -18.452 -7.031 -6.769 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -19.003 -6.800 -8.445 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -19.916 -6.076 -7.100 1.00 0.00 H new ATOM 1089 N LEU A 66 -22.897 -9.919 -9.001 1.00 0.00 N ATOM 1090 CA LEU A 66 -24.018 -10.854 -8.951 1.00 0.00 C ATOM 1091 C LEU A 66 -23.619 -12.181 -8.308 1.00 0.00 C ATOM 1092 O LEU A 66 -24.476 -12.838 -7.720 1.00 0.00 O ATOM 1093 CB LEU A 66 -24.580 -11.105 -10.365 1.00 0.00 C ATOM 1094 CG LEU A 66 -25.659 -10.094 -10.798 1.00 0.00 C ATOM 1095 CD1 LEU A 66 -25.125 -8.664 -10.927 1.00 0.00 C ATOM 1096 CD2 LEU A 66 -26.249 -10.523 -12.145 1.00 0.00 C ATOM 0 H LEU A 66 -22.485 -9.824 -9.929 1.00 0.00 H new ATOM 0 HA LEU A 66 -24.792 -10.398 -8.333 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -23.759 -11.075 -11.082 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -25.001 -12.110 -10.405 1.00 0.00 H new ATOM 0 HG LEU A 66 -26.419 -10.091 -10.017 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -25.933 -8.000 -11.235 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -24.731 -8.335 -9.966 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -24.330 -8.638 -11.673 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -27.012 -9.808 -12.452 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -25.459 -10.554 -12.895 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -26.696 -11.512 -12.048 1.00 0.00 H new ATOM 1108 N GLY A 67 -22.352 -12.586 -8.416 1.00 0.00 N ATOM 1109 CA GLY A 67 -21.846 -13.855 -7.934 1.00 0.00 C ATOM 1110 C GLY A 67 -20.575 -14.187 -8.704 1.00 0.00 C ATOM 1111 O GLY A 67 -20.132 -13.416 -9.559 1.00 0.00 O ATOM 0 H GLY A 67 -21.632 -12.014 -8.858 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -21.639 -13.800 -6.865 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -22.591 -14.639 -8.074 1.00 0.00 H new ATOM 1115 N MET A 68 -19.984 -15.338 -8.409 1.00 0.00 N ATOM 1116 CA MET A 68 -18.874 -15.872 -9.194 1.00 0.00 C ATOM 1117 C MET A 68 -19.345 -16.187 -10.619 1.00 0.00 C ATOM 1118 O MET A 68 -20.508 -16.541 -10.835 1.00 0.00 O ATOM 1119 CB MET A 68 -18.306 -17.139 -8.539 1.00 0.00 C ATOM 1120 CG MET A 68 -17.688 -16.910 -7.153 1.00 0.00 C ATOM 1121 SD MET A 68 -16.291 -15.753 -7.083 1.00 0.00 S ATOM 1122 CE MET A 68 -15.058 -16.661 -8.054 1.00 0.00 C ATOM 0 H MET A 68 -20.258 -15.927 -7.622 1.00 0.00 H new ATOM 0 HA MET A 68 -18.086 -15.120 -9.233 1.00 0.00 H new ATOM 0 HB2 MET A 68 -19.103 -17.877 -8.451 1.00 0.00 H new ATOM 0 HB3 MET A 68 -17.548 -17.565 -9.196 1.00 0.00 H new ATOM 0 HG2 MET A 68 -18.469 -16.546 -6.485 1.00 0.00 H new ATOM 0 HG3 MET A 68 -17.357 -17.872 -6.762 1.00 0.00 H new ATOM 0 HE1 MET A 68 -14.110 -16.124 -8.032 1.00 0.00 H new ATOM 0 HE2 MET A 68 -14.922 -17.656 -7.630 1.00 0.00 H new ATOM 0 HE3 MET A 68 -15.400 -16.750 -9.085 1.00 0.00 H new ATOM 1132 N ALA A 69 -18.432 -16.076 -11.588 1.00 0.00 N ATOM 1133 CA ALA A 69 -18.653 -16.540 -12.958 1.00 0.00 C ATOM 1134 C ALA A 69 -18.654 -18.087 -13.005 1.00 0.00 C ATOM 1135 O ALA A 69 -18.402 -18.716 -11.974 1.00 0.00 O ATOM 1136 CB ALA A 69 -17.569 -15.927 -13.852 1.00 0.00 C ATOM 0 H ALA A 69 -17.513 -15.659 -11.442 1.00 0.00 H new ATOM 0 HA ALA A 69 -19.628 -16.219 -13.325 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -17.714 -16.260 -14.880 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -17.634 -14.840 -13.810 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -16.587 -16.245 -13.503 1.00 0.00 H new ATOM 1142 N PRO A 70 -18.929 -18.723 -14.164 1.00 0.00 N ATOM 1143 CA PRO A 70 -18.870 -20.175 -14.317 1.00 0.00 C ATOM 1144 C PRO A 70 -17.573 -20.786 -13.784 1.00 0.00 C ATOM 1145 O PRO A 70 -16.484 -20.233 -13.972 1.00 0.00 O ATOM 1146 CB PRO A 70 -19.042 -20.445 -15.815 1.00 0.00 C ATOM 1147 CG PRO A 70 -19.892 -19.264 -16.274 1.00 0.00 C ATOM 1148 CD PRO A 70 -19.349 -18.119 -15.421 1.00 0.00 C ATOM 0 HA PRO A 70 -19.654 -20.647 -13.725 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -18.083 -20.479 -16.333 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -19.539 -21.397 -16.000 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -19.774 -19.068 -17.340 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -20.954 -19.434 -16.097 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -18.513 -17.626 -15.916 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -20.113 -17.360 -15.254 1.00 0.00 H new ATOM 1156 N ASP A 71 -17.697 -21.973 -13.186 1.00 0.00 N ATOM 1157 CA ASP A 71 -16.594 -22.743 -12.614 1.00 0.00 C ATOM 1158 C ASP A 71 -15.493 -22.941 -13.654 1.00 0.00 C ATOM 1159 O ASP A 71 -14.312 -22.853 -13.330 1.00 0.00 O ATOM 1160 CB ASP A 71 -17.075 -24.133 -12.160 1.00 0.00 C ATOM 1161 CG ASP A 71 -18.137 -24.110 -11.051 1.00 0.00 C ATOM 1162 OD1 ASP A 71 -19.296 -23.733 -11.339 1.00 0.00 O ATOM 1163 OD2 ASP A 71 -17.840 -24.535 -9.913 1.00 0.00 O ATOM 0 H ASP A 71 -18.599 -22.439 -13.084 1.00 0.00 H new ATOM 0 HA ASP A 71 -16.213 -22.186 -11.758 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -17.480 -24.663 -13.022 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -16.215 -24.704 -11.810 1.00 0.00 H new ATOM 1168 N ASP A 72 -15.892 -23.181 -14.908 1.00 0.00 N ATOM 1169 CA ASP A 72 -14.986 -23.470 -16.018 1.00 0.00 C ATOM 1170 C ASP A 72 -14.097 -22.272 -16.354 1.00 0.00 C ATOM 1171 O ASP A 72 -12.922 -22.447 -16.676 1.00 0.00 O ATOM 1172 CB ASP A 72 -15.797 -23.870 -17.254 1.00 0.00 C ATOM 1173 CG ASP A 72 -14.881 -24.130 -18.462 1.00 0.00 C ATOM 1174 OD1 ASP A 72 -14.243 -25.205 -18.519 1.00 0.00 O ATOM 1175 OD2 ASP A 72 -14.836 -23.286 -19.385 1.00 0.00 O ATOM 0 H ASP A 72 -16.875 -23.179 -15.182 1.00 0.00 H new ATOM 0 HA ASP A 72 -14.338 -24.292 -15.713 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -16.378 -24.766 -17.036 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -16.508 -23.080 -17.497 1.00 0.00 H new ATOM 1180 N GLU A 73 -14.625 -21.048 -16.247 1.00 0.00 N ATOM 1181 CA GLU A 73 -13.811 -19.851 -16.419 1.00 0.00 C ATOM 1182 C GLU A 73 -12.908 -19.670 -15.202 1.00 0.00 C ATOM 1183 O GLU A 73 -11.746 -19.282 -15.348 1.00 0.00 O ATOM 1184 CB GLU A 73 -14.689 -18.603 -16.622 1.00 0.00 C ATOM 1185 CG GLU A 73 -15.369 -18.556 -18.000 1.00 0.00 C ATOM 1186 CD GLU A 73 -14.394 -18.467 -19.195 1.00 0.00 C ATOM 1187 OE1 GLU A 73 -13.181 -18.213 -19.007 1.00 0.00 O ATOM 1188 OE2 GLU A 73 -14.849 -18.639 -20.350 1.00 0.00 O ATOM 0 H GLU A 73 -15.608 -20.866 -16.043 1.00 0.00 H new ATOM 0 HA GLU A 73 -13.199 -19.974 -17.312 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -15.454 -18.575 -15.846 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -14.075 -17.711 -16.497 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -15.986 -19.447 -18.117 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -16.040 -17.697 -18.031 1.00 0.00 H new ATOM 1195 N CYS A 74 -13.417 -19.992 -14.010 1.00 0.00 N ATOM 1196 CA CYS A 74 -12.727 -19.784 -12.747 1.00 0.00 C ATOM 1197 C CYS A 74 -11.639 -20.829 -12.448 1.00 0.00 C ATOM 1198 O CYS A 74 -11.146 -20.890 -11.324 1.00 0.00 O ATOM 1199 CB CYS A 74 -13.741 -19.688 -11.604 1.00 0.00 C ATOM 1200 SG CYS A 74 -14.907 -18.326 -11.898 1.00 0.00 S ATOM 0 H CYS A 74 -14.340 -20.413 -13.900 1.00 0.00 H new ATOM 0 HA CYS A 74 -12.193 -18.838 -12.837 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -14.286 -20.628 -11.514 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -13.219 -19.530 -10.660 1.00 0.00 H new ATOM 0 HG CYS A 74 -15.790 -18.693 -12.778 1.00 0.00 H new ATOM 1206 N LEU A 75 -11.234 -21.638 -13.431 1.00 0.00 N ATOM 1207 CA LEU A 75 -10.126 -22.593 -13.316 1.00 0.00 C ATOM 1208 C LEU A 75 -8.762 -21.885 -13.314 1.00 0.00 C ATOM 1209 O LEU A 75 -7.735 -22.545 -13.151 1.00 0.00 O ATOM 1210 CB LEU A 75 -10.176 -23.608 -14.481 1.00 0.00 C ATOM 1211 CG LEU A 75 -11.324 -24.634 -14.406 1.00 0.00 C ATOM 1212 CD1 LEU A 75 -11.400 -25.428 -15.715 1.00 0.00 C ATOM 1213 CD2 LEU A 75 -11.145 -25.635 -13.256 1.00 0.00 C ATOM 0 H LEU A 75 -11.677 -21.648 -14.350 1.00 0.00 H new ATOM 0 HA LEU A 75 -10.241 -23.114 -12.365 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -10.262 -23.058 -15.418 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -9.229 -24.147 -14.513 1.00 0.00 H new ATOM 0 HG LEU A 75 -12.238 -24.066 -14.233 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -12.213 -26.151 -15.655 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -11.582 -24.745 -16.545 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -10.459 -25.953 -15.877 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -11.981 -26.334 -13.249 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -10.214 -26.184 -13.393 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -11.113 -25.098 -12.308 1.00 0.00 H new ATOM 1225 N LYS A 76 -8.734 -20.563 -13.522 1.00 0.00 N ATOM 1226 CA LYS A 76 -7.511 -19.796 -13.761 1.00 0.00 C ATOM 1227 C LYS A 76 -7.512 -18.428 -13.073 1.00 0.00 C ATOM 1228 O LYS A 76 -6.430 -17.890 -12.844 1.00 0.00 O ATOM 1229 CB LYS A 76 -7.282 -19.651 -15.284 1.00 0.00 C ATOM 1230 CG LYS A 76 -8.563 -19.327 -16.078 1.00 0.00 C ATOM 1231 CD LYS A 76 -8.301 -18.971 -17.548 1.00 0.00 C ATOM 1232 CE LYS A 76 -9.584 -19.032 -18.399 1.00 0.00 C ATOM 1233 NZ LYS A 76 -10.679 -18.184 -17.871 1.00 0.00 N ATOM 0 H LYS A 76 -9.577 -19.989 -13.529 1.00 0.00 H new ATOM 0 HA LYS A 76 -6.686 -20.351 -13.315 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -6.549 -18.864 -15.458 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -6.853 -20.577 -15.667 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.234 -20.185 -16.035 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.078 -18.495 -15.597 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -7.875 -17.969 -17.607 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -7.561 -19.657 -17.960 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.351 -18.720 -19.417 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.927 -20.065 -18.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.482 -18.203 -18.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.984 -18.547 -16.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.341 -17.206 -17.765 1.00 0.00 H new ATOM 1247 N ASP A 77 -8.676 -17.856 -12.746 1.00 0.00 N ATOM 1248 CA ASP A 77 -8.784 -16.553 -12.076 1.00 0.00 C ATOM 1249 C ASP A 77 -10.148 -16.460 -11.387 1.00 0.00 C ATOM 1250 O ASP A 77 -11.069 -17.177 -11.774 1.00 0.00 O ATOM 1251 CB ASP A 77 -8.625 -15.427 -13.109 1.00 0.00 C ATOM 1252 CG ASP A 77 -8.787 -14.024 -12.505 1.00 0.00 C ATOM 1253 OD1 ASP A 77 -8.335 -13.797 -11.362 1.00 0.00 O ATOM 1254 OD2 ASP A 77 -9.357 -13.147 -13.191 1.00 0.00 O ATOM 0 H ASP A 77 -9.579 -18.288 -12.941 1.00 0.00 H new ATOM 0 HA ASP A 77 -7.997 -16.450 -11.329 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -7.642 -15.504 -13.573 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -9.362 -15.562 -13.900 1.00 0.00 H new ATOM 1259 N MET A 78 -10.306 -15.606 -10.376 1.00 0.00 N ATOM 1260 CA MET A 78 -11.574 -15.408 -9.678 1.00 0.00 C ATOM 1261 C MET A 78 -12.416 -14.387 -10.450 1.00 0.00 C ATOM 1262 O MET A 78 -12.418 -13.192 -10.140 1.00 0.00 O ATOM 1263 CB MET A 78 -11.339 -15.001 -8.213 1.00 0.00 C ATOM 1264 CG MET A 78 -10.726 -16.124 -7.362 1.00 0.00 C ATOM 1265 SD MET A 78 -11.717 -17.642 -7.186 1.00 0.00 S ATOM 1266 CE MET A 78 -10.907 -18.729 -8.393 1.00 0.00 C ATOM 0 H MET A 78 -9.548 -15.026 -10.015 1.00 0.00 H new ATOM 0 HA MET A 78 -12.129 -16.345 -9.643 1.00 0.00 H new ATOM 0 HB2 MET A 78 -10.681 -14.133 -8.185 1.00 0.00 H new ATOM 0 HB3 MET A 78 -12.288 -14.696 -7.771 1.00 0.00 H new ATOM 0 HG2 MET A 78 -9.763 -16.394 -7.795 1.00 0.00 H new ATOM 0 HG3 MET A 78 -10.528 -15.728 -6.366 1.00 0.00 H new ATOM 0 HE1 MET A 78 -11.358 -19.721 -8.350 1.00 0.00 H new ATOM 0 HE2 MET A 78 -11.031 -18.317 -9.395 1.00 0.00 H new ATOM 0 HE3 MET A 78 -9.845 -18.803 -8.161 1.00 0.00 H new ATOM 1276 N TYR A 79 -13.103 -14.851 -11.493 1.00 0.00 N ATOM 1277 CA TYR A 79 -14.046 -14.036 -12.249 1.00 0.00 C ATOM 1278 C TYR A 79 -15.371 -13.921 -11.491 1.00 0.00 C ATOM 1279 O TYR A 79 -15.812 -14.876 -10.845 1.00 0.00 O ATOM 1280 CB TYR A 79 -14.337 -14.688 -13.602 1.00 0.00 C ATOM 1281 CG TYR A 79 -13.175 -14.800 -14.559 1.00 0.00 C ATOM 1282 CD1 TYR A 79 -12.381 -15.957 -14.538 1.00 0.00 C ATOM 1283 CD2 TYR A 79 -12.924 -13.789 -15.507 1.00 0.00 C ATOM 1284 CE1 TYR A 79 -11.337 -16.107 -15.458 1.00 0.00 C ATOM 1285 CE2 TYR A 79 -11.892 -13.945 -16.450 1.00 0.00 C ATOM 1286 CZ TYR A 79 -11.093 -15.113 -16.429 1.00 0.00 C ATOM 1287 OH TYR A 79 -10.106 -15.320 -17.347 1.00 0.00 O ATOM 0 H TYR A 79 -13.019 -15.808 -11.837 1.00 0.00 H new ATOM 0 HA TYR A 79 -13.603 -13.050 -12.389 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -14.728 -15.689 -13.421 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -15.129 -14.120 -14.091 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -12.576 -16.732 -13.812 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -13.525 -12.892 -15.510 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -10.714 -16.989 -15.424 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -11.710 -13.177 -17.187 1.00 0.00 H new ATOM 0 HH TYR A 79 -10.055 -14.551 -17.952 1.00 0.00 H new ATOM 1297 N VAL A 80 -16.063 -12.796 -11.659 1.00 0.00 N ATOM 1298 CA VAL A 80 -17.374 -12.543 -11.076 1.00 0.00 C ATOM 1299 C VAL A 80 -18.291 -11.957 -12.149 1.00 0.00 C ATOM 1300 O VAL A 80 -17.843 -11.191 -13.005 1.00 0.00 O ATOM 1301 CB VAL A 80 -17.254 -11.622 -9.839 1.00 0.00 C ATOM 1302 CG1 VAL A 80 -16.648 -12.366 -8.641 1.00 0.00 C ATOM 1303 CG2 VAL A 80 -16.434 -10.340 -10.081 1.00 0.00 C ATOM 0 H VAL A 80 -15.717 -12.017 -12.219 1.00 0.00 H new ATOM 0 HA VAL A 80 -17.812 -13.477 -10.725 1.00 0.00 H new ATOM 0 HB VAL A 80 -18.280 -11.322 -9.626 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -16.578 -11.689 -7.790 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -17.282 -13.213 -8.380 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -15.652 -12.725 -8.901 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -16.400 -9.752 -9.164 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -15.420 -10.607 -10.379 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -16.902 -9.753 -10.871 1.00 0.00 H new ATOM 1313 N GLU A 81 -19.571 -12.325 -12.116 1.00 0.00 N ATOM 1314 CA GLU A 81 -20.596 -11.684 -12.931 1.00 0.00 C ATOM 1315 C GLU A 81 -20.885 -10.331 -12.291 1.00 0.00 C ATOM 1316 O GLU A 81 -20.924 -10.216 -11.061 1.00 0.00 O ATOM 1317 CB GLU A 81 -21.874 -12.534 -12.983 1.00 0.00 C ATOM 1318 CG GLU A 81 -21.659 -13.857 -13.726 1.00 0.00 C ATOM 1319 CD GLU A 81 -22.988 -14.599 -13.959 1.00 0.00 C ATOM 1320 OE1 GLU A 81 -23.531 -15.210 -13.011 1.00 0.00 O ATOM 1321 OE2 GLU A 81 -23.496 -14.594 -15.103 1.00 0.00 O ATOM 0 H GLU A 81 -19.924 -13.076 -11.523 1.00 0.00 H new ATOM 0 HA GLU A 81 -20.250 -11.569 -13.958 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -22.213 -12.740 -11.968 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -22.665 -11.968 -13.474 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -21.177 -13.663 -14.684 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -20.983 -14.491 -13.152 1.00 0.00 H new ATOM 1328 N VAL A 82 -21.099 -9.303 -13.106 1.00 0.00 N ATOM 1329 CA VAL A 82 -21.161 -7.936 -12.626 1.00 0.00 C ATOM 1330 C VAL A 82 -22.140 -7.145 -13.496 1.00 0.00 C ATOM 1331 O VAL A 82 -22.151 -7.305 -14.714 1.00 0.00 O ATOM 1332 CB VAL A 82 -19.716 -7.385 -12.623 1.00 0.00 C ATOM 1333 CG1 VAL A 82 -19.071 -7.296 -14.015 1.00 0.00 C ATOM 1334 CG2 VAL A 82 -19.637 -6.024 -11.952 1.00 0.00 C ATOM 0 H VAL A 82 -21.233 -9.398 -14.113 1.00 0.00 H new ATOM 0 HA VAL A 82 -21.543 -7.857 -11.608 1.00 0.00 H new ATOM 0 HB VAL A 82 -19.148 -8.118 -12.051 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -18.060 -6.900 -13.923 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -19.033 -8.289 -14.462 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -19.663 -6.635 -14.649 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -18.607 -5.669 -11.969 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -20.273 -5.318 -12.486 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -19.975 -6.107 -10.919 1.00 0.00 H new ATOM 1344 N ALA A 83 -22.960 -6.292 -12.889 1.00 0.00 N ATOM 1345 CA ALA A 83 -23.901 -5.427 -13.585 1.00 0.00 C ATOM 1346 C ALA A 83 -23.455 -3.982 -13.404 1.00 0.00 C ATOM 1347 O ALA A 83 -23.109 -3.563 -12.295 1.00 0.00 O ATOM 1348 CB ALA A 83 -25.317 -5.637 -13.044 1.00 0.00 C ATOM 0 H ALA A 83 -22.987 -6.182 -11.875 1.00 0.00 H new ATOM 0 HA ALA A 83 -23.917 -5.670 -14.648 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -26.010 -4.983 -13.574 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -25.613 -6.676 -13.192 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -25.339 -5.402 -11.980 1.00 0.00 H new ATOM 1354 N ASP A 84 -23.474 -3.220 -14.496 1.00 0.00 N ATOM 1355 CA ASP A 84 -23.050 -1.823 -14.551 1.00 0.00 C ATOM 1356 C ASP A 84 -24.168 -0.925 -14.033 1.00 0.00 C ATOM 1357 O ASP A 84 -24.804 -0.191 -14.789 1.00 0.00 O ATOM 1358 CB ASP A 84 -22.649 -1.469 -15.991 1.00 0.00 C ATOM 1359 CG ASP A 84 -22.154 -0.029 -16.167 1.00 0.00 C ATOM 1360 OD1 ASP A 84 -21.876 0.659 -15.163 1.00 0.00 O ATOM 1361 OD2 ASP A 84 -21.963 0.406 -17.330 1.00 0.00 O ATOM 0 H ASP A 84 -23.796 -3.571 -15.398 1.00 0.00 H new ATOM 0 HA ASP A 84 -22.181 -1.667 -13.912 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -21.866 -2.153 -16.317 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -23.506 -1.630 -16.645 1.00 0.00 H new ATOM 1366 N ILE A 85 -24.473 -1.009 -12.741 1.00 0.00 N ATOM 1367 CA ILE A 85 -25.498 -0.177 -12.098 1.00 0.00 C ATOM 1368 C ILE A 85 -25.198 1.331 -12.204 1.00 0.00 C ATOM 1369 O ILE A 85 -26.077 2.150 -11.932 1.00 0.00 O ATOM 1370 CB ILE A 85 -25.755 -0.628 -10.642 1.00 0.00 C ATOM 1371 CG1 ILE A 85 -24.542 -0.372 -9.721 1.00 0.00 C ATOM 1372 CG2 ILE A 85 -26.194 -2.105 -10.627 1.00 0.00 C ATOM 1373 CD1 ILE A 85 -24.793 -0.703 -8.245 1.00 0.00 C ATOM 0 H ILE A 85 -24.015 -1.659 -12.102 1.00 0.00 H new ATOM 0 HA ILE A 85 -26.424 -0.330 -12.653 1.00 0.00 H new ATOM 0 HB ILE A 85 -26.563 -0.021 -10.235 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -23.699 -0.964 -10.076 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -24.253 0.676 -9.803 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -26.375 -2.421 -9.599 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -27.110 -2.218 -11.208 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -25.409 -2.722 -11.063 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -23.892 -0.495 -7.667 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -25.614 -0.092 -7.870 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -25.051 -1.757 -8.147 1.00 0.00 H new ATOM 1385 N GLY A 86 -23.983 1.700 -12.616 1.00 0.00 N ATOM 1386 CA GLY A 86 -23.557 3.076 -12.821 1.00 0.00 C ATOM 1387 C GLY A 86 -23.658 3.526 -14.282 1.00 0.00 C ATOM 1388 O GLY A 86 -23.396 4.700 -14.552 1.00 0.00 O ATOM 0 H GLY A 86 -23.248 1.023 -12.821 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -24.166 3.734 -12.202 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -22.526 3.185 -12.484 1.00 0.00 H new ATOM 1392 N GLY A 87 -24.032 2.646 -15.224 1.00 0.00 N ATOM 1393 CA GLY A 87 -23.934 2.955 -16.650 1.00 0.00 C ATOM 1394 C GLY A 87 -24.810 2.136 -17.598 1.00 0.00 C ATOM 1395 O GLY A 87 -24.838 2.471 -18.783 1.00 0.00 O ATOM 0 H GLY A 87 -24.404 1.718 -15.020 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -24.180 4.008 -16.786 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -22.895 2.828 -16.954 1.00 0.00 H new ATOM 1399 N LYS A 88 -25.524 1.103 -17.135 1.00 0.00 N ATOM 1400 CA LYS A 88 -26.524 0.352 -17.913 1.00 0.00 C ATOM 1401 C LYS A 88 -27.714 0.024 -17.020 1.00 0.00 C ATOM 1402 O LYS A 88 -28.854 0.175 -17.450 1.00 0.00 O ATOM 1403 CB LYS A 88 -25.986 -0.993 -18.465 1.00 0.00 C ATOM 1404 CG LYS A 88 -24.649 -0.963 -19.193 1.00 0.00 C ATOM 1405 CD LYS A 88 -24.678 -0.223 -20.532 1.00 0.00 C ATOM 1406 CE LYS A 88 -23.244 0.110 -20.953 1.00 0.00 C ATOM 1407 NZ LYS A 88 -22.591 1.089 -20.044 1.00 0.00 N ATOM 0 H LYS A 88 -25.421 0.754 -16.182 1.00 0.00 H new ATOM 0 HA LYS A 88 -26.796 0.988 -18.755 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -25.901 -1.690 -17.631 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -26.732 -1.401 -19.147 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -23.907 -0.493 -18.547 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -24.319 -1.988 -19.364 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -25.159 -0.839 -21.292 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -25.266 0.691 -20.444 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -22.655 -0.807 -20.977 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -23.251 0.511 -21.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -21.830 1.581 -20.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -23.294 1.782 -19.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -22.192 0.589 -19.224 1.00 0.00 H new ATOM 1421 N ASP A 89 -27.434 -0.448 -15.800 1.00 0.00 N ATOM 1422 CA ASP A 89 -28.329 -1.030 -14.791 1.00 0.00 C ATOM 1423 C ASP A 89 -29.114 -2.273 -15.240 1.00 0.00 C ATOM 1424 O ASP A 89 -29.437 -3.125 -14.414 1.00 0.00 O ATOM 1425 CB ASP A 89 -29.255 0.045 -14.207 1.00 0.00 C ATOM 1426 CG ASP A 89 -30.149 -0.515 -13.088 1.00 0.00 C ATOM 1427 OD1 ASP A 89 -29.643 -0.754 -11.970 1.00 0.00 O ATOM 1428 OD2 ASP A 89 -31.373 -0.666 -13.305 1.00 0.00 O ATOM 0 H ASP A 89 -26.473 -0.430 -15.458 1.00 0.00 H new ATOM 0 HA ASP A 89 -27.669 -1.407 -14.009 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -28.656 0.867 -13.816 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -29.880 0.456 -15.000 1.00 0.00 H new ATOM 1433 N ASP A 90 -29.365 -2.425 -16.540 1.00 0.00 N ATOM 1434 CA ASP A 90 -30.234 -3.447 -17.127 1.00 0.00 C ATOM 1435 C ASP A 90 -29.434 -4.518 -17.887 1.00 0.00 C ATOM 1436 O ASP A 90 -30.017 -5.393 -18.529 1.00 0.00 O ATOM 1437 CB ASP A 90 -31.228 -2.738 -18.056 1.00 0.00 C ATOM 1438 CG ASP A 90 -32.325 -3.672 -18.598 1.00 0.00 C ATOM 1439 OD1 ASP A 90 -33.059 -4.291 -17.793 1.00 0.00 O ATOM 1440 OD2 ASP A 90 -32.512 -3.739 -19.835 1.00 0.00 O ATOM 0 H ASP A 90 -28.951 -1.814 -17.244 1.00 0.00 H new ATOM 0 HA ASP A 90 -30.763 -3.974 -16.333 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -31.695 -1.914 -17.516 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -30.684 -2.302 -18.894 1.00 0.00 H new ATOM 1445 N ASP A 91 -28.099 -4.471 -17.821 1.00 0.00 N ATOM 1446 CA ASP A 91 -27.218 -5.433 -18.495 1.00 0.00 C ATOM 1447 C ASP A 91 -26.071 -5.864 -17.580 1.00 0.00 C ATOM 1448 O ASP A 91 -25.768 -5.201 -16.582 1.00 0.00 O ATOM 1449 CB ASP A 91 -26.681 -4.865 -19.818 1.00 0.00 C ATOM 1450 CG ASP A 91 -26.134 -5.941 -20.779 1.00 0.00 C ATOM 1451 OD1 ASP A 91 -26.424 -7.146 -20.602 1.00 0.00 O ATOM 1452 OD2 ASP A 91 -25.438 -5.573 -21.751 1.00 0.00 O ATOM 0 H ASP A 91 -27.595 -3.758 -17.294 1.00 0.00 H new ATOM 0 HA ASP A 91 -27.812 -6.317 -18.729 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -27.479 -4.316 -20.318 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -25.889 -4.148 -19.601 1.00 0.00 H new ATOM 1457 N VAL A 92 -25.436 -6.976 -17.941 1.00 0.00 N ATOM 1458 CA VAL A 92 -24.471 -7.707 -17.126 1.00 0.00 C ATOM 1459 C VAL A 92 -23.262 -8.089 -17.996 1.00 0.00 C ATOM 1460 O VAL A 92 -23.388 -8.307 -19.205 1.00 0.00 O ATOM 1461 CB VAL A 92 -25.171 -8.953 -16.518 1.00 0.00 C ATOM 1462 CG1 VAL A 92 -24.308 -9.709 -15.496 1.00 0.00 C ATOM 1463 CG2 VAL A 92 -26.503 -8.617 -15.818 1.00 0.00 C ATOM 0 H VAL A 92 -25.587 -7.411 -18.851 1.00 0.00 H new ATOM 0 HA VAL A 92 -24.106 -7.091 -16.304 1.00 0.00 H new ATOM 0 HB VAL A 92 -25.349 -9.585 -17.388 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -24.863 -10.566 -15.115 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -23.393 -10.054 -15.977 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -24.055 -9.044 -14.670 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -26.942 -9.529 -15.414 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -26.320 -7.913 -15.007 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -27.190 -8.171 -16.537 1.00 0.00 H new ATOM 1473 N TYR A 93 -22.099 -8.193 -17.355 1.00 0.00 N ATOM 1474 CA TYR A 93 -20.795 -8.515 -17.917 1.00 0.00 C ATOM 1475 C TYR A 93 -20.065 -9.438 -16.925 1.00 0.00 C ATOM 1476 O TYR A 93 -20.650 -9.886 -15.933 1.00 0.00 O ATOM 1477 CB TYR A 93 -20.004 -7.209 -18.137 1.00 0.00 C ATOM 1478 CG TYR A 93 -20.717 -6.148 -18.957 1.00 0.00 C ATOM 1479 CD1 TYR A 93 -20.702 -6.216 -20.363 1.00 0.00 C ATOM 1480 CD2 TYR A 93 -21.397 -5.096 -18.312 1.00 0.00 C ATOM 1481 CE1 TYR A 93 -21.360 -5.236 -21.127 1.00 0.00 C ATOM 1482 CE2 TYR A 93 -22.057 -4.112 -19.069 1.00 0.00 C ATOM 1483 CZ TYR A 93 -22.040 -4.177 -20.481 1.00 0.00 C ATOM 1484 OH TYR A 93 -22.669 -3.212 -21.209 1.00 0.00 O ATOM 0 H TYR A 93 -22.044 -8.041 -16.348 1.00 0.00 H new ATOM 0 HA TYR A 93 -20.894 -9.021 -18.877 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -19.755 -6.786 -17.164 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -19.062 -7.453 -18.629 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -20.183 -7.024 -20.857 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -21.411 -5.045 -17.233 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -21.346 -5.292 -22.205 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -22.577 -3.307 -18.572 1.00 0.00 H new ATOM 0 HH TYR A 93 -23.639 -3.310 -21.112 1.00 0.00 H new ATOM 1494 N THR A 94 -18.775 -9.688 -17.154 1.00 0.00 N ATOM 1495 CA THR A 94 -17.901 -10.400 -16.226 1.00 0.00 C ATOM 1496 C THR A 94 -16.709 -9.483 -15.915 1.00 0.00 C ATOM 1497 O THR A 94 -16.282 -8.711 -16.780 1.00 0.00 O ATOM 1498 CB THR A 94 -17.476 -11.745 -16.851 1.00 0.00 C ATOM 1499 OG1 THR A 94 -18.609 -12.457 -17.320 1.00 0.00 O ATOM 1500 CG2 THR A 94 -16.736 -12.659 -15.869 1.00 0.00 C ATOM 0 H THR A 94 -18.301 -9.394 -18.008 1.00 0.00 H new ATOM 0 HA THR A 94 -18.407 -10.638 -15.290 1.00 0.00 H new ATOM 0 HB THR A 94 -16.801 -11.486 -17.667 1.00 0.00 H new ATOM 0 HG1 THR A 94 -18.321 -13.307 -17.715 1.00 0.00 H new ATOM 0 HG21 THR A 94 -16.465 -13.588 -16.370 1.00 0.00 H new ATOM 0 HG22 THR A 94 -15.833 -12.160 -15.517 1.00 0.00 H new ATOM 0 HG23 THR A 94 -17.383 -12.880 -15.020 1.00 0.00 H new ATOM 1508 N ALA A 95 -16.169 -9.572 -14.697 1.00 0.00 N ATOM 1509 CA ALA A 95 -14.983 -8.844 -14.263 1.00 0.00 C ATOM 1510 C ALA A 95 -14.087 -9.751 -13.428 1.00 0.00 C ATOM 1511 O ALA A 95 -14.524 -10.772 -12.899 1.00 0.00 O ATOM 1512 CB ALA A 95 -15.379 -7.600 -13.457 1.00 0.00 C ATOM 0 H ALA A 95 -16.559 -10.170 -13.968 1.00 0.00 H new ATOM 0 HA ALA A 95 -14.432 -8.521 -15.146 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -14.481 -7.070 -13.142 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -15.989 -6.943 -14.077 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -15.949 -7.902 -12.578 1.00 0.00 H new ATOM 1518 N LYS A 96 -12.825 -9.351 -13.297 1.00 0.00 N ATOM 1519 CA LYS A 96 -11.870 -9.974 -12.394 1.00 0.00 C ATOM 1520 C LYS A 96 -12.152 -9.404 -11.011 1.00 0.00 C ATOM 1521 O LYS A 96 -12.151 -8.182 -10.851 1.00 0.00 O ATOM 1522 CB LYS A 96 -10.414 -9.722 -12.858 1.00 0.00 C ATOM 1523 CG LYS A 96 -10.140 -8.395 -13.600 1.00 0.00 C ATOM 1524 CD LYS A 96 -10.244 -8.518 -15.132 1.00 0.00 C ATOM 1525 CE LYS A 96 -10.451 -7.181 -15.872 1.00 0.00 C ATOM 1526 NZ LYS A 96 -9.401 -6.161 -15.612 1.00 0.00 N ATOM 0 H LYS A 96 -12.434 -8.571 -13.826 1.00 0.00 H new ATOM 0 HA LYS A 96 -11.980 -11.058 -12.381 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -9.767 -9.762 -11.982 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -10.118 -10.544 -13.510 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -10.848 -7.641 -13.255 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -9.143 -8.040 -13.338 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -9.336 -8.989 -15.508 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -11.072 -9.184 -15.374 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -10.492 -7.376 -16.944 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -11.419 -6.768 -15.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -9.225 -5.615 -16.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -9.720 -5.519 -14.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -8.523 -6.634 -15.316 1.00 0.00 H new ATOM 1540 N LEU A 97 -12.358 -10.258 -10.004 1.00 0.00 N ATOM 1541 CA LEU A 97 -12.522 -9.814 -8.616 1.00 0.00 C ATOM 1542 C LEU A 97 -11.299 -9.008 -8.162 1.00 0.00 C ATOM 1543 O LEU A 97 -11.428 -8.062 -7.387 1.00 0.00 O ATOM 1544 CB LEU A 97 -12.747 -11.037 -7.712 1.00 0.00 C ATOM 1545 CG LEU A 97 -12.974 -10.702 -6.225 1.00 0.00 C ATOM 1546 CD1 LEU A 97 -14.198 -9.800 -6.007 1.00 0.00 C ATOM 1547 CD2 LEU A 97 -13.160 -12.011 -5.453 1.00 0.00 C ATOM 0 H LEU A 97 -12.416 -11.269 -10.126 1.00 0.00 H new ATOM 0 HA LEU A 97 -13.392 -9.161 -8.545 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -13.609 -11.592 -8.082 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -11.884 -11.697 -7.795 1.00 0.00 H new ATOM 0 HG LEU A 97 -12.103 -10.154 -5.865 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -14.313 -9.594 -4.943 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -14.059 -8.862 -6.545 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -15.091 -10.303 -6.378 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -13.322 -11.791 -4.398 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -14.023 -12.547 -5.848 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -12.268 -12.628 -5.562 1.00 0.00 H new ATOM 1559 N SER A 98 -10.128 -9.342 -8.707 1.00 0.00 N ATOM 1560 CA SER A 98 -8.859 -8.650 -8.537 1.00 0.00 C ATOM 1561 C SER A 98 -8.914 -7.152 -8.888 1.00 0.00 C ATOM 1562 O SER A 98 -8.016 -6.408 -8.494 1.00 0.00 O ATOM 1563 CB SER A 98 -7.829 -9.357 -9.427 1.00 0.00 C ATOM 1564 OG SER A 98 -7.995 -10.765 -9.337 1.00 0.00 O ATOM 0 H SER A 98 -10.040 -10.155 -9.317 1.00 0.00 H new ATOM 0 HA SER A 98 -8.590 -8.692 -7.482 1.00 0.00 H new ATOM 0 HB2 SER A 98 -7.947 -9.034 -10.461 1.00 0.00 H new ATOM 0 HB3 SER A 98 -6.820 -9.081 -9.120 1.00 0.00 H new ATOM 0 HG SER A 98 -7.335 -11.209 -9.909 1.00 0.00 H new ATOM 1570 N ASP A 99 -9.936 -6.700 -9.627 1.00 0.00 N ATOM 1571 CA ASP A 99 -10.023 -5.342 -10.177 1.00 0.00 C ATOM 1572 C ASP A 99 -11.200 -4.559 -9.581 1.00 0.00 C ATOM 1573 O ASP A 99 -11.590 -3.501 -10.077 1.00 0.00 O ATOM 1574 CB ASP A 99 -10.099 -5.477 -11.701 1.00 0.00 C ATOM 1575 CG ASP A 99 -9.709 -4.241 -12.516 1.00 0.00 C ATOM 1576 OD1 ASP A 99 -8.906 -3.408 -12.048 1.00 0.00 O ATOM 1577 OD2 ASP A 99 -10.110 -4.213 -13.705 1.00 0.00 O ATOM 0 H ASP A 99 -10.741 -7.280 -9.863 1.00 0.00 H new ATOM 0 HA ASP A 99 -9.143 -4.758 -9.908 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -9.454 -6.302 -12.003 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -11.119 -5.755 -11.969 1.00 0.00 H new ATOM 1582 N ILE A 100 -11.764 -5.083 -8.493 1.00 0.00 N ATOM 1583 CA ILE A 100 -12.925 -4.540 -7.798 1.00 0.00 C ATOM 1584 C ILE A 100 -12.556 -4.246 -6.346 1.00 0.00 C ATOM 1585 O ILE A 100 -11.681 -4.877 -5.748 1.00 0.00 O ATOM 1586 CB ILE A 100 -14.131 -5.507 -7.968 1.00 0.00 C ATOM 1587 CG1 ILE A 100 -14.896 -5.093 -9.242 1.00 0.00 C ATOM 1588 CG2 ILE A 100 -15.108 -5.593 -6.774 1.00 0.00 C ATOM 1589 CD1 ILE A 100 -15.978 -6.081 -9.675 1.00 0.00 C ATOM 0 H ILE A 100 -11.408 -5.933 -8.056 1.00 0.00 H new ATOM 0 HA ILE A 100 -13.236 -3.589 -8.231 1.00 0.00 H new ATOM 0 HB ILE A 100 -13.707 -6.509 -8.035 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -15.356 -4.119 -9.075 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -14.183 -4.973 -10.057 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -15.907 -6.297 -7.008 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -14.571 -5.934 -5.889 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -15.536 -4.609 -6.582 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -16.466 -5.714 -10.578 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -15.525 -7.052 -9.877 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -16.716 -6.184 -8.880 1.00 0.00 H new ATOM 1601 N GLU A 101 -13.294 -3.294 -5.788 1.00 0.00 N ATOM 1602 CA GLU A 101 -13.301 -2.945 -4.377 1.00 0.00 C ATOM 1603 C GLU A 101 -14.730 -3.172 -3.898 1.00 0.00 C ATOM 1604 O GLU A 101 -15.661 -2.585 -4.450 1.00 0.00 O ATOM 1605 CB GLU A 101 -12.845 -1.488 -4.198 1.00 0.00 C ATOM 1606 CG GLU A 101 -12.917 -1.047 -2.725 1.00 0.00 C ATOM 1607 CD GLU A 101 -12.096 0.225 -2.443 1.00 0.00 C ATOM 1608 OE1 GLU A 101 -12.279 1.249 -3.138 1.00 0.00 O ATOM 1609 OE2 GLU A 101 -11.256 0.210 -1.514 1.00 0.00 O ATOM 0 H GLU A 101 -13.934 -2.718 -6.335 1.00 0.00 H new ATOM 0 HA GLU A 101 -12.611 -3.552 -3.791 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -11.823 -1.379 -4.561 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -13.470 -0.833 -4.805 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -13.958 -0.870 -2.454 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -12.555 -1.856 -2.090 1.00 0.00 H new ATOM 1616 N ALA A 102 -14.913 -4.050 -2.912 1.00 0.00 N ATOM 1617 CA ALA A 102 -16.231 -4.372 -2.390 1.00 0.00 C ATOM 1618 C ALA A 102 -16.707 -3.237 -1.487 1.00 0.00 C ATOM 1619 O ALA A 102 -15.932 -2.698 -0.692 1.00 0.00 O ATOM 1620 CB ALA A 102 -16.170 -5.686 -1.612 1.00 0.00 C ATOM 0 H ALA A 102 -14.152 -4.554 -2.457 1.00 0.00 H new ATOM 0 HA ALA A 102 -16.936 -4.489 -3.213 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -17.160 -5.924 -1.222 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -15.839 -6.486 -2.274 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -15.468 -5.586 -0.784 1.00 0.00 H new ATOM 1626 N ILE A 103 -17.992 -2.911 -1.591 1.00 0.00 N ATOM 1627 CA ILE A 103 -18.644 -1.840 -0.848 1.00 0.00 C ATOM 1628 C ILE A 103 -19.893 -2.420 -0.169 1.00 0.00 C ATOM 1629 O ILE A 103 -20.580 -3.272 -0.734 1.00 0.00 O ATOM 1630 CB ILE A 103 -18.948 -0.684 -1.833 1.00 0.00 C ATOM 1631 CG1 ILE A 103 -17.629 0.000 -2.267 1.00 0.00 C ATOM 1632 CG2 ILE A 103 -19.927 0.355 -1.257 1.00 0.00 C ATOM 1633 CD1 ILE A 103 -17.794 0.987 -3.423 1.00 0.00 C ATOM 0 H ILE A 103 -18.629 -3.403 -2.217 1.00 0.00 H new ATOM 0 HA ILE A 103 -18.014 -1.429 -0.059 1.00 0.00 H new ATOM 0 HB ILE A 103 -19.439 -1.125 -2.701 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -17.205 0.525 -1.411 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -16.912 -0.768 -2.557 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -20.100 1.139 -1.994 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -20.872 -0.131 -1.015 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -19.503 0.793 -0.354 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -16.826 1.424 -3.669 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -18.188 0.464 -4.295 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -18.486 1.777 -3.131 1.00 0.00 H new ATOM 1645 N ASP A 104 -20.195 -1.921 1.037 1.00 0.00 N ATOM 1646 CA ASP A 104 -21.390 -2.251 1.827 1.00 0.00 C ATOM 1647 C ASP A 104 -21.540 -3.757 2.114 1.00 0.00 C ATOM 1648 O ASP A 104 -22.645 -4.270 2.303 1.00 0.00 O ATOM 1649 CB ASP A 104 -22.638 -1.602 1.199 1.00 0.00 C ATOM 1650 CG ASP A 104 -23.873 -1.670 2.116 1.00 0.00 C ATOM 1651 OD1 ASP A 104 -23.779 -1.287 3.305 1.00 0.00 O ATOM 1652 OD2 ASP A 104 -24.971 -2.038 1.637 1.00 0.00 O ATOM 0 H ASP A 104 -19.589 -1.249 1.508 1.00 0.00 H new ATOM 0 HA ASP A 104 -21.266 -1.817 2.819 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -22.421 -0.559 0.966 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -22.864 -2.099 0.256 1.00 0.00 H new ATOM 1657 N VAL A 105 -20.418 -4.481 2.145 1.00 0.00 N ATOM 1658 CA VAL A 105 -20.371 -5.904 2.468 1.00 0.00 C ATOM 1659 C VAL A 105 -20.172 -6.131 3.968 1.00 0.00 C ATOM 1660 O VAL A 105 -19.784 -5.230 4.719 1.00 0.00 O ATOM 1661 CB VAL A 105 -19.264 -6.609 1.660 1.00 0.00 C ATOM 1662 CG1 VAL A 105 -19.739 -6.862 0.232 1.00 0.00 C ATOM 1663 CG2 VAL A 105 -17.915 -5.879 1.667 1.00 0.00 C ATOM 0 H VAL A 105 -19.501 -4.084 1.942 1.00 0.00 H new ATOM 0 HA VAL A 105 -21.332 -6.338 2.192 1.00 0.00 H new ATOM 0 HB VAL A 105 -19.078 -7.558 2.163 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -18.950 -7.360 -0.331 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -20.627 -7.494 0.250 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -19.980 -5.912 -0.245 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -17.193 -6.442 1.076 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -18.037 -4.884 1.239 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -17.554 -5.791 2.692 1.00 0.00 H new ATOM 1673 N ASP A 106 -20.437 -7.365 4.386 1.00 0.00 N ATOM 1674 CA ASP A 106 -20.120 -7.885 5.708 1.00 0.00 C ATOM 1675 C ASP A 106 -18.607 -8.076 5.828 1.00 0.00 C ATOM 1676 O ASP A 106 -17.904 -8.234 4.826 1.00 0.00 O ATOM 1677 CB ASP A 106 -20.821 -9.232 5.930 1.00 0.00 C ATOM 1678 CG ASP A 106 -20.538 -9.797 7.329 1.00 0.00 C ATOM 1679 OD1 ASP A 106 -21.099 -9.270 8.316 1.00 0.00 O ATOM 1680 OD2 ASP A 106 -19.740 -10.752 7.447 1.00 0.00 O ATOM 0 H ASP A 106 -20.895 -8.054 3.790 1.00 0.00 H new ATOM 0 HA ASP A 106 -20.465 -7.176 6.461 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -21.896 -9.109 5.798 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -20.487 -9.944 5.176 1.00 0.00 H new ATOM 1685 N ASP A 107 -18.115 -8.096 7.064 1.00 0.00 N ATOM 1686 CA ASP A 107 -16.706 -8.295 7.380 1.00 0.00 C ATOM 1687 C ASP A 107 -16.155 -9.581 6.768 1.00 0.00 C ATOM 1688 O ASP A 107 -15.061 -9.551 6.215 1.00 0.00 O ATOM 1689 CB ASP A 107 -16.518 -8.314 8.900 1.00 0.00 C ATOM 1690 CG ASP A 107 -15.051 -8.574 9.280 1.00 0.00 C ATOM 1691 OD1 ASP A 107 -14.224 -7.640 9.172 1.00 0.00 O ATOM 1692 OD2 ASP A 107 -14.734 -9.688 9.753 1.00 0.00 O ATOM 0 H ASP A 107 -18.699 -7.971 7.891 1.00 0.00 H new ATOM 0 HA ASP A 107 -16.148 -7.465 6.947 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -16.841 -7.362 9.320 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -17.151 -9.086 9.337 1.00 0.00 H new ATOM 1697 N ASP A 108 -16.895 -10.695 6.806 1.00 0.00 N ATOM 1698 CA ASP A 108 -16.360 -11.975 6.330 1.00 0.00 C ATOM 1699 C ASP A 108 -16.233 -11.981 4.805 1.00 0.00 C ATOM 1700 O ASP A 108 -15.265 -12.508 4.255 1.00 0.00 O ATOM 1701 CB ASP A 108 -17.238 -13.147 6.795 1.00 0.00 C ATOM 1702 CG ASP A 108 -16.519 -14.508 6.741 1.00 0.00 C ATOM 1703 OD1 ASP A 108 -15.279 -14.578 6.897 1.00 0.00 O ATOM 1704 OD2 ASP A 108 -17.218 -15.541 6.634 1.00 0.00 O ATOM 0 H ASP A 108 -17.852 -10.737 7.156 1.00 0.00 H new ATOM 0 HA ASP A 108 -15.366 -12.098 6.760 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -17.570 -12.960 7.816 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -18.132 -13.191 6.172 1.00 0.00 H new ATOM 1709 N THR A 109 -17.182 -11.340 4.116 1.00 0.00 N ATOM 1710 CA THR A 109 -17.133 -11.131 2.677 1.00 0.00 C ATOM 1711 C THR A 109 -15.929 -10.244 2.342 1.00 0.00 C ATOM 1712 O THR A 109 -15.116 -10.610 1.490 1.00 0.00 O ATOM 1713 CB THR A 109 -18.448 -10.470 2.231 1.00 0.00 C ATOM 1714 OG1 THR A 109 -19.572 -11.177 2.704 1.00 0.00 O ATOM 1715 CG2 THR A 109 -18.571 -10.342 0.711 1.00 0.00 C ATOM 0 H THR A 109 -18.016 -10.948 4.554 1.00 0.00 H new ATOM 0 HA THR A 109 -17.020 -12.079 2.151 1.00 0.00 H new ATOM 0 HB THR A 109 -18.421 -9.470 2.665 1.00 0.00 H new ATOM 0 HG1 THR A 109 -20.301 -10.548 2.887 1.00 0.00 H new ATOM 0 HG21 THR A 109 -19.520 -9.868 0.461 1.00 0.00 H new ATOM 0 HG22 THR A 109 -17.751 -9.734 0.329 1.00 0.00 H new ATOM 0 HG23 THR A 109 -18.530 -11.333 0.258 1.00 0.00 H new ATOM 1723 N GLN A 110 -15.789 -9.095 3.018 1.00 0.00 N ATOM 1724 CA GLN A 110 -14.713 -8.153 2.749 1.00 0.00 C ATOM 1725 C GLN A 110 -13.361 -8.834 2.972 1.00 0.00 C ATOM 1726 O GLN A 110 -12.485 -8.723 2.121 1.00 0.00 O ATOM 1727 CB GLN A 110 -14.878 -6.894 3.623 1.00 0.00 C ATOM 1728 CG GLN A 110 -14.328 -5.619 2.960 1.00 0.00 C ATOM 1729 CD GLN A 110 -12.810 -5.637 2.758 1.00 0.00 C ATOM 1730 OE1 GLN A 110 -12.041 -5.645 3.715 1.00 0.00 O ATOM 1731 NE2 GLN A 110 -12.343 -5.633 1.518 1.00 0.00 N ATOM 0 H GLN A 110 -16.421 -8.800 3.763 1.00 0.00 H new ATOM 0 HA GLN A 110 -14.756 -7.833 1.708 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -15.935 -6.752 3.848 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -14.368 -7.050 4.574 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -14.813 -5.485 1.993 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -14.594 -4.758 3.573 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -12.990 -5.626 0.729 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -11.337 -5.637 1.352 1.00 0.00 H new ATOM 1740 N GLU A 111 -13.199 -9.582 4.065 1.00 0.00 N ATOM 1741 CA GLU A 111 -11.954 -10.267 4.382 1.00 0.00 C ATOM 1742 C GLU A 111 -11.613 -11.323 3.327 1.00 0.00 C ATOM 1743 O GLU A 111 -10.439 -11.467 2.993 1.00 0.00 O ATOM 1744 CB GLU A 111 -12.038 -10.902 5.780 1.00 0.00 C ATOM 1745 CG GLU A 111 -11.912 -9.874 6.917 1.00 0.00 C ATOM 1746 CD GLU A 111 -10.471 -9.354 7.075 1.00 0.00 C ATOM 1747 OE1 GLU A 111 -9.652 -10.017 7.751 1.00 0.00 O ATOM 1748 OE2 GLU A 111 -10.144 -8.268 6.545 1.00 0.00 O ATOM 0 H GLU A 111 -13.935 -9.728 4.756 1.00 0.00 H new ATOM 0 HA GLU A 111 -11.152 -9.529 4.379 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -12.988 -11.428 5.877 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -11.249 -11.647 5.882 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -12.580 -9.035 6.721 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -12.237 -10.328 7.853 1.00 0.00 H new ATOM 1755 N ALA A 112 -12.600 -12.032 2.765 1.00 0.00 N ATOM 1756 CA ALA A 112 -12.336 -13.019 1.721 1.00 0.00 C ATOM 1757 C ALA A 112 -11.784 -12.331 0.468 1.00 0.00 C ATOM 1758 O ALA A 112 -10.807 -12.792 -0.125 1.00 0.00 O ATOM 1759 CB ALA A 112 -13.614 -13.802 1.396 1.00 0.00 C ATOM 0 H ALA A 112 -13.584 -11.938 3.017 1.00 0.00 H new ATOM 0 HA ALA A 112 -11.586 -13.723 2.082 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -13.404 -14.534 0.616 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -13.964 -14.316 2.292 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -14.384 -13.113 1.049 1.00 0.00 H new ATOM 1765 N ILE A 113 -12.393 -11.209 0.082 1.00 0.00 N ATOM 1766 CA ILE A 113 -11.997 -10.445 -1.096 1.00 0.00 C ATOM 1767 C ILE A 113 -10.620 -9.813 -0.845 1.00 0.00 C ATOM 1768 O ILE A 113 -9.751 -9.875 -1.714 1.00 0.00 O ATOM 1769 CB ILE A 113 -13.106 -9.417 -1.428 1.00 0.00 C ATOM 1770 CG1 ILE A 113 -14.423 -10.159 -1.771 1.00 0.00 C ATOM 1771 CG2 ILE A 113 -12.690 -8.495 -2.590 1.00 0.00 C ATOM 1772 CD1 ILE A 113 -15.649 -9.248 -1.846 1.00 0.00 C ATOM 0 H ILE A 113 -13.182 -10.803 0.585 1.00 0.00 H new ATOM 0 HA ILE A 113 -11.891 -11.084 -1.972 1.00 0.00 H new ATOM 0 HB ILE A 113 -13.264 -8.790 -0.551 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -14.303 -10.668 -2.727 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -14.600 -10.929 -1.020 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -13.492 -7.786 -2.797 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -11.786 -7.951 -2.317 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -12.498 -9.095 -3.480 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -16.529 -9.842 -2.090 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -15.798 -8.758 -0.884 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -15.495 -8.494 -2.617 1.00 0.00 H new ATOM 1784 N ALA A 114 -10.389 -9.253 0.346 1.00 0.00 N ATOM 1785 CA ALA A 114 -9.109 -8.677 0.726 1.00 0.00 C ATOM 1786 C ALA A 114 -8.013 -9.739 0.679 1.00 0.00 C ATOM 1787 O ALA A 114 -6.930 -9.473 0.169 1.00 0.00 O ATOM 1788 CB ALA A 114 -9.201 -8.063 2.126 1.00 0.00 C ATOM 0 H ALA A 114 -11.098 -9.189 1.077 1.00 0.00 H new ATOM 0 HA ALA A 114 -8.855 -7.889 0.017 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -8.237 -7.635 2.400 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -9.960 -7.281 2.131 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -9.472 -8.836 2.845 1.00 0.00 H new ATOM 1794 N ASP A 115 -8.287 -10.948 1.170 1.00 0.00 N ATOM 1795 CA ASP A 115 -7.296 -12.019 1.189 1.00 0.00 C ATOM 1796 C ASP A 115 -6.979 -12.513 -0.222 1.00 0.00 C ATOM 1797 O ASP A 115 -5.818 -12.796 -0.514 1.00 0.00 O ATOM 1798 CB ASP A 115 -7.747 -13.179 2.077 1.00 0.00 C ATOM 1799 CG ASP A 115 -6.606 -14.197 2.243 1.00 0.00 C ATOM 1800 OD1 ASP A 115 -5.583 -13.854 2.879 1.00 0.00 O ATOM 1801 OD2 ASP A 115 -6.751 -15.352 1.792 1.00 0.00 O ATOM 0 H ASP A 115 -9.192 -11.209 1.561 1.00 0.00 H new ATOM 0 HA ASP A 115 -6.382 -11.604 1.613 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -8.052 -12.802 3.053 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -8.617 -13.666 1.637 1.00 0.00 H new ATOM 1806 N TRP A 116 -7.971 -12.546 -1.124 1.00 0.00 N ATOM 1807 CA TRP A 116 -7.723 -12.794 -2.541 1.00 0.00 C ATOM 1808 C TRP A 116 -6.802 -11.713 -3.113 1.00 0.00 C ATOM 1809 O TRP A 116 -5.830 -12.035 -3.793 1.00 0.00 O ATOM 1810 CB TRP A 116 -9.037 -12.870 -3.335 1.00 0.00 C ATOM 1811 CG TRP A 116 -8.840 -12.898 -4.823 1.00 0.00 C ATOM 1812 CD1 TRP A 116 -9.087 -11.875 -5.673 1.00 0.00 C ATOM 1813 CD2 TRP A 116 -8.238 -13.950 -5.639 1.00 0.00 C ATOM 1814 NE1 TRP A 116 -8.679 -12.218 -6.946 1.00 0.00 N ATOM 1815 CE2 TRP A 116 -8.144 -13.486 -6.984 1.00 0.00 C ATOM 1816 CE3 TRP A 116 -7.724 -15.236 -5.375 1.00 0.00 C ATOM 1817 CZ2 TRP A 116 -7.574 -14.260 -8.006 1.00 0.00 C ATOM 1818 CZ3 TRP A 116 -7.163 -16.028 -6.394 1.00 0.00 C ATOM 1819 CH2 TRP A 116 -7.081 -15.539 -7.709 1.00 0.00 C ATOM 0 H TRP A 116 -8.954 -12.403 -0.890 1.00 0.00 H new ATOM 0 HA TRP A 116 -7.228 -13.761 -2.635 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -9.583 -13.763 -3.032 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -9.659 -12.013 -3.075 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -9.536 -10.932 -5.397 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -8.763 -11.607 -7.759 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -7.762 -15.622 -4.367 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -7.515 -13.874 -9.013 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -6.794 -17.017 -6.164 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -6.641 -16.145 -8.487 1.00 0.00 H new ATOM 1830 N LEU A 117 -7.072 -10.435 -2.825 1.00 0.00 N ATOM 1831 CA LEU A 117 -6.262 -9.326 -3.323 1.00 0.00 C ATOM 1832 C LEU A 117 -4.830 -9.423 -2.786 1.00 0.00 C ATOM 1833 O LEU A 117 -3.880 -9.228 -3.547 1.00 0.00 O ATOM 1834 CB LEU A 117 -6.908 -7.980 -2.946 1.00 0.00 C ATOM 1835 CG LEU A 117 -8.199 -7.678 -3.735 1.00 0.00 C ATOM 1836 CD1 LEU A 117 -9.028 -6.612 -3.010 1.00 0.00 C ATOM 1837 CD2 LEU A 117 -7.888 -7.199 -5.157 1.00 0.00 C ATOM 0 H LEU A 117 -7.857 -10.144 -2.242 1.00 0.00 H new ATOM 0 HA LEU A 117 -6.216 -9.386 -4.410 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -7.134 -7.980 -1.880 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -6.189 -7.179 -3.119 1.00 0.00 H new ATOM 0 HG LEU A 117 -8.768 -8.605 -3.799 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -9.936 -6.409 -3.578 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -9.294 -6.972 -2.016 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -8.444 -5.696 -2.920 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -8.820 -6.995 -5.684 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -7.290 -6.289 -5.112 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -7.332 -7.972 -5.688 1.00 0.00 H new ATOM 1849 N TYR A 118 -4.655 -9.765 -1.505 1.00 0.00 N ATOM 1850 CA TYR A 118 -3.336 -9.962 -0.918 1.00 0.00 C ATOM 1851 C TYR A 118 -2.624 -11.123 -1.609 1.00 0.00 C ATOM 1852 O TYR A 118 -1.468 -10.973 -1.992 1.00 0.00 O ATOM 1853 CB TYR A 118 -3.423 -10.211 0.597 1.00 0.00 C ATOM 1854 CG TYR A 118 -4.077 -9.132 1.453 1.00 0.00 C ATOM 1855 CD1 TYR A 118 -4.040 -7.769 1.086 1.00 0.00 C ATOM 1856 CD2 TYR A 118 -4.716 -9.506 2.652 1.00 0.00 C ATOM 1857 CE1 TYR A 118 -4.660 -6.798 1.893 1.00 0.00 C ATOM 1858 CE2 TYR A 118 -5.339 -8.542 3.464 1.00 0.00 C ATOM 1859 CZ TYR A 118 -5.318 -7.180 3.084 1.00 0.00 C ATOM 1860 OH TYR A 118 -5.915 -6.229 3.857 1.00 0.00 O ATOM 0 H TYR A 118 -5.425 -9.911 -0.852 1.00 0.00 H new ATOM 0 HA TYR A 118 -2.761 -9.049 -1.069 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -3.969 -11.141 0.754 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -2.411 -10.369 0.970 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -3.533 -7.470 0.181 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -4.727 -10.544 2.950 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -4.633 -5.758 1.602 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -5.833 -8.841 4.377 1.00 0.00 H new ATOM 0 HH TYR A 118 -6.324 -6.653 4.640 1.00 0.00 H new ATOM 1870 N TRP A 119 -3.297 -12.254 -1.828 1.00 0.00 N ATOM 1871 CA TRP A 119 -2.729 -13.391 -2.544 1.00 0.00 C ATOM 1872 C TRP A 119 -2.305 -13.011 -3.968 1.00 0.00 C ATOM 1873 O TRP A 119 -1.266 -13.470 -4.455 1.00 0.00 O ATOM 1874 CB TRP A 119 -3.747 -14.535 -2.573 1.00 0.00 C ATOM 1875 CG TRP A 119 -3.498 -15.545 -3.646 1.00 0.00 C ATOM 1876 CD1 TRP A 119 -4.157 -15.602 -4.823 1.00 0.00 C ATOM 1877 CD2 TRP A 119 -2.480 -16.588 -3.708 1.00 0.00 C ATOM 1878 NE1 TRP A 119 -3.644 -16.618 -5.595 1.00 0.00 N ATOM 1879 CE2 TRP A 119 -2.634 -17.290 -4.940 1.00 0.00 C ATOM 1880 CE3 TRP A 119 -1.445 -17.012 -2.847 1.00 0.00 C ATOM 1881 CZ2 TRP A 119 -1.844 -18.401 -5.266 1.00 0.00 C ATOM 1882 CZ3 TRP A 119 -0.632 -18.113 -3.176 1.00 0.00 C ATOM 1883 CH2 TRP A 119 -0.843 -18.819 -4.374 1.00 0.00 C ATOM 0 H TRP A 119 -4.255 -12.405 -1.511 1.00 0.00 H new ATOM 0 HA TRP A 119 -1.831 -13.715 -2.017 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -3.740 -15.038 -1.606 1.00 0.00 H new ATOM 0 HB3 TRP A 119 -4.744 -14.116 -2.707 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -4.966 -14.948 -5.114 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -3.970 -16.846 -6.534 1.00 0.00 H new ATOM 0 HE3 TRP A 119 -1.274 -16.483 -1.921 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -2.003 -18.930 -6.194 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 0.158 -18.417 -2.505 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -0.236 -19.681 -4.608 1.00 0.00 H new ATOM 1894 N LEU A 120 -3.094 -12.167 -4.637 1.00 0.00 N ATOM 1895 CA LEU A 120 -2.842 -11.769 -6.012 1.00 0.00 C ATOM 1896 C LEU A 120 -1.481 -11.069 -6.043 1.00 0.00 C ATOM 1897 O LEU A 120 -0.587 -11.447 -6.798 1.00 0.00 O ATOM 1898 CB LEU A 120 -3.989 -10.844 -6.484 1.00 0.00 C ATOM 1899 CG LEU A 120 -4.204 -10.696 -8.001 1.00 0.00 C ATOM 1900 CD1 LEU A 120 -2.978 -10.192 -8.768 1.00 0.00 C ATOM 1901 CD2 LEU A 120 -4.741 -11.999 -8.599 1.00 0.00 C ATOM 0 H LEU A 120 -3.928 -11.742 -4.232 1.00 0.00 H new ATOM 0 HA LEU A 120 -2.814 -12.622 -6.690 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -4.918 -11.210 -6.047 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -3.812 -9.851 -6.071 1.00 0.00 H new ATOM 0 HG LEU A 120 -4.952 -9.912 -8.120 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -3.218 -10.117 -9.829 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -2.691 -9.210 -8.391 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -2.151 -10.889 -8.631 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -4.886 -11.874 -9.672 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -4.027 -12.803 -8.421 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -5.693 -12.249 -8.131 1.00 0.00 H new ATOM 1913 N ALA A 121 -1.295 -10.105 -5.138 1.00 0.00 N ATOM 1914 CA ALA A 121 -0.044 -9.382 -4.983 1.00 0.00 C ATOM 1915 C ALA A 121 1.097 -10.287 -4.495 1.00 0.00 C ATOM 1916 O ALA A 121 2.236 -10.128 -4.935 1.00 0.00 O ATOM 1917 CB ALA A 121 -0.299 -8.222 -4.017 1.00 0.00 C ATOM 0 H ALA A 121 -2.022 -9.806 -4.488 1.00 0.00 H new ATOM 0 HA ALA A 121 0.283 -9.004 -5.951 1.00 0.00 H new ATOM 0 HB1 ALA A 121 0.622 -7.656 -3.877 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -1.068 -7.568 -4.429 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -0.633 -8.615 -3.057 1.00 0.00 H new