USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=23 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 88 LYS NZ :NH3+ -179:sc= 0.526 (180deg=-0.0108) USER MOD Set 1.2: A 93 TYR OH : rot 120:sc= 0.497 USER MOD Set 2.1: A 68 MET CE :methyl -172:sc= -0.0889 (180deg=-0.196) USER MOD Set 2.2: A 74 CYS SG : rot 77:sc= 0.325 USER MOD Set 3.1: A 47 LYS NZ :NH3+ 157:sc= 1.06 (180deg=0) USER MOD Set 3.2: A 62 THR OG1 : rot 180:sc= 0.92 USER MOD Single : A 25 LYS NZ :NH3+ 163:sc= 1.84 (180deg=1.35) USER MOD Single : A 30 MET CE :methyl -109:sc= -0.591 (180deg=-3.51!) 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 -7:sc= 0.435 USER MOD Single : A 39 THR OG1 : rot 97:sc= 1.27 USER MOD Single : A 45 MET CE :methyl -151:sc= -0.0505 (180deg=-0.521) USER MOD Single : A 49 LYS NZ :NH3+ 166:sc= 2.42 (180deg=2.34) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 163:sc= 0.38 (180deg=0.0368) USER MOD Single : A 76 LYS NZ :NH3+ -173:sc= 1.19 (180deg=1.15) USER MOD Single : A 78 MET CE :methyl -167:sc= 0 (180deg=-0.0317) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ -133:sc= 1.2 (180deg=0.102) USER MOD Single : A 98 SER OG : rot 180:sc= 0.0635 USER MOD Single : A 109 THR OG1 : rot -20:sc= 0.476 USER MOD Single : A 110 GLN : amide:sc= -0.248 X(o=-0.25,f=-0.25) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 346 N ALA A 22 -4.424 -29.958 -3.478 1.00 0.00 N ATOM 347 CA ALA A 22 -3.966 -29.642 -4.825 1.00 0.00 C ATOM 348 C ALA A 22 -2.555 -30.185 -5.069 1.00 0.00 C ATOM 349 O ALA A 22 -1.696 -30.149 -4.184 1.00 0.00 O ATOM 350 CB ALA A 22 -3.983 -28.124 -5.042 1.00 0.00 C ATOM 0 HA ALA A 22 -4.644 -30.118 -5.534 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.639 -27.897 -6.051 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -4.998 -27.749 -4.911 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -3.324 -27.646 -4.318 1.00 0.00 H new ATOM 356 N GLU A 23 -2.299 -30.593 -6.309 1.00 0.00 N ATOM 357 CA GLU A 23 -0.988 -30.950 -6.839 1.00 0.00 C ATOM 358 C GLU A 23 -0.733 -30.219 -8.170 1.00 0.00 C ATOM 359 O GLU A 23 0.426 -30.052 -8.554 1.00 0.00 O ATOM 360 CB GLU A 23 -0.887 -32.474 -7.033 1.00 0.00 C ATOM 361 CG GLU A 23 -0.957 -33.297 -5.734 1.00 0.00 C ATOM 362 CD GLU A 23 0.181 -33.014 -4.729 1.00 0.00 C ATOM 363 OE1 GLU A 23 1.308 -32.646 -5.133 1.00 0.00 O ATOM 364 OE2 GLU A 23 -0.024 -33.223 -3.511 1.00 0.00 O ATOM 0 H GLU A 23 -3.038 -30.688 -7.006 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.226 -30.641 -6.123 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.692 -32.796 -7.694 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.051 -32.700 -7.539 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -1.912 -33.100 -5.246 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.942 -34.356 -5.990 1.00 0.00 H new ATOM 371 N ASP A 24 -1.780 -29.731 -8.850 1.00 0.00 N ATOM 372 CA ASP A 24 -1.685 -28.979 -10.104 1.00 0.00 C ATOM 373 C ASP A 24 -2.293 -27.583 -9.930 1.00 0.00 C ATOM 374 O ASP A 24 -3.227 -27.396 -9.146 1.00 0.00 O ATOM 375 CB ASP A 24 -2.408 -29.750 -11.218 1.00 0.00 C ATOM 376 CG ASP A 24 -2.307 -29.015 -12.559 1.00 0.00 C ATOM 377 OD1 ASP A 24 -3.177 -28.167 -12.855 1.00 0.00 O ATOM 378 OD2 ASP A 24 -1.339 -29.244 -13.315 1.00 0.00 O ATOM 0 H ASP A 24 -2.741 -29.853 -8.532 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.637 -28.862 -10.378 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.976 -30.746 -11.313 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.457 -29.882 -10.951 1.00 0.00 H new ATOM 383 N LYS A 25 -1.768 -26.589 -10.658 1.00 0.00 N ATOM 384 CA LYS A 25 -2.229 -25.201 -10.578 1.00 0.00 C ATOM 385 C LYS A 25 -3.731 -25.030 -10.833 1.00 0.00 C ATOM 386 O LYS A 25 -4.303 -24.068 -10.321 1.00 0.00 O ATOM 387 CB LYS A 25 -1.364 -24.247 -11.441 1.00 0.00 C ATOM 388 CG LYS A 25 -1.682 -24.192 -12.952 1.00 0.00 C ATOM 389 CD LYS A 25 -1.261 -25.443 -13.744 1.00 0.00 C ATOM 390 CE LYS A 25 -2.123 -25.619 -15.003 1.00 0.00 C ATOM 391 NZ LYS A 25 -2.376 -27.049 -15.299 1.00 0.00 N ATOM 0 H LYS A 25 -1.007 -26.728 -11.323 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.086 -24.906 -9.538 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.463 -23.240 -11.036 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.320 -24.536 -11.324 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -2.754 -24.042 -13.079 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.186 -23.322 -13.382 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.212 -25.361 -14.027 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.353 -26.326 -13.111 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.073 -25.102 -14.869 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.624 -25.154 -15.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.175 -27.131 -15.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.527 -27.470 -15.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.604 -27.551 -14.417 1.00 0.00 H new ATOM 405 N GLU A 26 -4.390 -25.902 -11.595 1.00 0.00 N ATOM 406 CA GLU A 26 -5.838 -25.813 -11.793 1.00 0.00 C ATOM 407 C GLU A 26 -6.553 -26.139 -10.480 1.00 0.00 C ATOM 408 O GLU A 26 -7.475 -25.431 -10.079 1.00 0.00 O ATOM 409 CB GLU A 26 -6.282 -26.762 -12.919 1.00 0.00 C ATOM 410 CG GLU A 26 -5.896 -26.202 -14.297 1.00 0.00 C ATOM 411 CD GLU A 26 -5.989 -27.246 -15.424 1.00 0.00 C ATOM 412 OE1 GLU A 26 -7.064 -27.858 -15.623 1.00 0.00 O ATOM 413 OE2 GLU A 26 -4.983 -27.432 -16.149 1.00 0.00 O ATOM 0 H GLU A 26 -3.945 -26.678 -12.085 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.103 -24.799 -12.090 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.821 -27.740 -12.778 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.361 -26.908 -12.871 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.547 -25.361 -14.535 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.878 -25.815 -14.252 1.00 0.00 H new ATOM 420 N GLU A 27 -6.086 -27.158 -9.758 1.00 0.00 N ATOM 421 CA GLU A 27 -6.657 -27.564 -8.478 1.00 0.00 C ATOM 422 C GLU A 27 -6.429 -26.470 -7.432 1.00 0.00 C ATOM 423 O GLU A 27 -7.314 -26.196 -6.624 1.00 0.00 O ATOM 424 CB GLU A 27 -6.032 -28.884 -8.009 1.00 0.00 C ATOM 425 CG GLU A 27 -6.179 -30.027 -9.024 1.00 0.00 C ATOM 426 CD GLU A 27 -5.453 -31.292 -8.543 1.00 0.00 C ATOM 427 OE1 GLU A 27 -4.247 -31.199 -8.225 1.00 0.00 O ATOM 428 OE2 GLU A 27 -6.080 -32.377 -8.499 1.00 0.00 O ATOM 0 H GLU A 27 -5.293 -27.729 -10.050 1.00 0.00 H new ATOM 0 HA GLU A 27 -7.729 -27.714 -8.605 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -4.973 -28.723 -7.806 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.495 -29.182 -7.069 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -7.235 -30.247 -9.178 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.774 -29.716 -9.987 1.00 0.00 H new ATOM 435 N ARG A 28 -5.275 -25.791 -7.478 1.00 0.00 N ATOM 436 CA ARG A 28 -5.012 -24.600 -6.662 1.00 0.00 C ATOM 437 C ARG A 28 -6.080 -23.539 -6.902 1.00 0.00 C ATOM 438 O ARG A 28 -6.575 -22.956 -5.938 1.00 0.00 O ATOM 439 CB ARG A 28 -3.569 -24.118 -6.926 1.00 0.00 C ATOM 440 CG ARG A 28 -3.151 -22.686 -6.521 1.00 0.00 C ATOM 441 CD ARG A 28 -3.703 -21.501 -7.346 1.00 0.00 C ATOM 442 NE ARG A 28 -3.733 -21.773 -8.799 1.00 0.00 N ATOM 443 CZ ARG A 28 -3.712 -20.899 -9.813 1.00 0.00 C ATOM 444 NH1 ARG A 28 -3.525 -19.602 -9.614 1.00 0.00 N ATOM 445 NH2 ARG A 28 -3.895 -21.338 -11.050 1.00 0.00 N ATOM 0 H ARG A 28 -4.497 -26.053 -8.083 1.00 0.00 H new ATOM 0 HA ARG A 28 -5.078 -24.836 -5.600 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.897 -24.809 -6.417 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.382 -24.221 -7.995 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -3.446 -22.534 -5.483 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.063 -22.636 -6.554 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.711 -21.266 -7.005 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -3.090 -20.619 -7.160 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.775 -22.757 -9.064 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -3.392 -19.245 -8.668 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -3.514 -18.961 -10.407 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.050 -22.332 -11.221 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -3.881 -20.682 -11.831 1.00 0.00 H new ATOM 459 N ALA A 29 -6.447 -23.287 -8.161 1.00 0.00 N ATOM 460 CA ALA A 29 -7.443 -22.272 -8.469 1.00 0.00 C ATOM 461 C ALA A 29 -8.805 -22.701 -7.930 1.00 0.00 C ATOM 462 O ALA A 29 -9.532 -21.872 -7.388 1.00 0.00 O ATOM 463 CB ALA A 29 -7.504 -22.021 -9.975 1.00 0.00 C ATOM 0 H ALA A 29 -6.069 -23.771 -8.975 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.159 -21.337 -7.986 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -8.254 -21.259 -10.187 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.530 -21.679 -10.327 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -7.771 -22.945 -10.487 1.00 0.00 H new ATOM 469 N MET A 30 -9.138 -23.990 -8.031 1.00 0.00 N ATOM 470 CA MET A 30 -10.378 -24.518 -7.479 1.00 0.00 C ATOM 471 C MET A 30 -10.402 -24.420 -5.956 1.00 0.00 C ATOM 472 O MET A 30 -11.433 -24.052 -5.408 1.00 0.00 O ATOM 473 CB MET A 30 -10.632 -25.948 -7.965 1.00 0.00 C ATOM 474 CG MET A 30 -10.809 -26.035 -9.486 1.00 0.00 C ATOM 475 SD MET A 30 -12.242 -25.170 -10.205 1.00 0.00 S ATOM 476 CE MET A 30 -11.639 -23.465 -10.410 1.00 0.00 C ATOM 0 H MET A 30 -8.558 -24.689 -8.495 1.00 0.00 H new ATOM 0 HA MET A 30 -11.196 -23.899 -7.847 1.00 0.00 H new ATOM 0 HB2 MET A 30 -9.799 -26.583 -7.664 1.00 0.00 H new ATOM 0 HB3 MET A 30 -11.524 -26.340 -7.477 1.00 0.00 H new ATOM 0 HG2 MET A 30 -9.907 -25.642 -9.955 1.00 0.00 H new ATOM 0 HG3 MET A 30 -10.878 -27.088 -9.759 1.00 0.00 H new ATOM 0 HE1 MET A 30 -12.130 -22.816 -9.685 1.00 0.00 H new ATOM 0 HE2 MET A 30 -10.561 -23.438 -10.249 1.00 0.00 H new ATOM 0 HE3 MET A 30 -11.864 -23.118 -11.419 1.00 0.00 H new ATOM 486 N GLY A 31 -9.288 -24.667 -5.264 1.00 0.00 N ATOM 487 CA GLY A 31 -9.216 -24.515 -3.815 1.00 0.00 C ATOM 488 C GLY A 31 -9.548 -23.084 -3.390 1.00 0.00 C ATOM 489 O GLY A 31 -10.451 -22.869 -2.572 1.00 0.00 O ATOM 0 H GLY A 31 -8.416 -24.976 -5.693 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.910 -25.208 -3.339 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -8.216 -24.777 -3.469 1.00 0.00 H new ATOM 493 N TRP A 32 -8.876 -22.103 -4.007 1.00 0.00 N ATOM 494 CA TRP A 32 -9.183 -20.691 -3.820 1.00 0.00 C ATOM 495 C TRP A 32 -10.659 -20.408 -4.125 1.00 0.00 C ATOM 496 O TRP A 32 -11.345 -19.796 -3.306 1.00 0.00 O ATOM 497 CB TRP A 32 -8.268 -19.827 -4.700 1.00 0.00 C ATOM 498 CG TRP A 32 -6.944 -19.453 -4.102 1.00 0.00 C ATOM 499 CD1 TRP A 32 -5.779 -20.128 -4.227 1.00 0.00 C ATOM 500 CD2 TRP A 32 -6.626 -18.268 -3.309 1.00 0.00 C ATOM 501 NE1 TRP A 32 -4.760 -19.428 -3.611 1.00 0.00 N ATOM 502 CE2 TRP A 32 -5.223 -18.260 -3.040 1.00 0.00 C ATOM 503 CE3 TRP A 32 -7.383 -17.181 -2.821 1.00 0.00 C ATOM 504 CZ2 TRP A 32 -4.606 -17.216 -2.329 1.00 0.00 C ATOM 505 CZ3 TRP A 32 -6.783 -16.160 -2.063 1.00 0.00 C ATOM 506 CH2 TRP A 32 -5.400 -16.175 -1.817 1.00 0.00 C ATOM 0 H TRP A 32 -8.103 -22.274 -4.650 1.00 0.00 H new ATOM 0 HA TRP A 32 -9.002 -20.434 -2.776 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -8.085 -20.360 -5.633 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -8.801 -18.911 -4.955 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -5.662 -21.075 -4.734 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -3.788 -19.736 -3.582 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -8.441 -17.133 -3.033 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -3.537 -17.214 -2.178 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -7.389 -15.359 -1.667 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -4.947 -15.387 -1.234 1.00 0.00 H new ATOM 517 N TYR A 33 -11.161 -20.879 -5.269 1.00 0.00 N ATOM 518 CA TYR A 33 -12.542 -20.673 -5.679 1.00 0.00 C ATOM 519 C TYR A 33 -13.516 -21.210 -4.630 1.00 0.00 C ATOM 520 O TYR A 33 -14.468 -20.509 -4.293 1.00 0.00 O ATOM 521 CB TYR A 33 -12.787 -21.337 -7.043 1.00 0.00 C ATOM 522 CG TYR A 33 -14.230 -21.318 -7.508 1.00 0.00 C ATOM 523 CD1 TYR A 33 -15.139 -22.287 -7.040 1.00 0.00 C ATOM 524 CD2 TYR A 33 -14.668 -20.333 -8.408 1.00 0.00 C ATOM 525 CE1 TYR A 33 -16.489 -22.244 -7.425 1.00 0.00 C ATOM 526 CE2 TYR A 33 -15.997 -20.328 -8.858 1.00 0.00 C ATOM 527 CZ TYR A 33 -16.924 -21.268 -8.353 1.00 0.00 C ATOM 528 OH TYR A 33 -18.223 -21.224 -8.764 1.00 0.00 O ATOM 0 H TYR A 33 -10.612 -21.418 -5.939 1.00 0.00 H new ATOM 0 HA TYR A 33 -12.719 -19.601 -5.772 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -12.172 -20.836 -7.791 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -12.449 -22.372 -6.994 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -14.795 -23.069 -6.380 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -13.980 -19.577 -8.755 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -17.193 -22.953 -7.014 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -16.313 -19.603 -9.593 1.00 0.00 H new ATOM 0 HH TYR A 33 -18.340 -20.488 -9.401 1.00 0.00 H new ATOM 538 N TYR A 34 -13.306 -22.427 -4.115 1.00 0.00 N ATOM 539 CA TYR A 34 -14.278 -23.088 -3.257 1.00 0.00 C ATOM 540 C TYR A 34 -14.458 -22.299 -1.967 1.00 0.00 C ATOM 541 O TYR A 34 -15.597 -21.984 -1.615 1.00 0.00 O ATOM 542 CB TYR A 34 -13.868 -24.538 -2.934 1.00 0.00 C ATOM 543 CG TYR A 34 -13.890 -25.538 -4.083 1.00 0.00 C ATOM 544 CD1 TYR A 34 -14.962 -25.573 -4.999 1.00 0.00 C ATOM 545 CD2 TYR A 34 -12.849 -26.481 -4.201 1.00 0.00 C ATOM 546 CE1 TYR A 34 -14.971 -26.508 -6.050 1.00 0.00 C ATOM 547 CE2 TYR A 34 -12.854 -27.424 -5.243 1.00 0.00 C ATOM 548 CZ TYR A 34 -13.912 -27.436 -6.180 1.00 0.00 C ATOM 549 OH TYR A 34 -13.903 -28.350 -7.192 1.00 0.00 O ATOM 0 H TYR A 34 -12.461 -22.973 -4.284 1.00 0.00 H new ATOM 0 HA TYR A 34 -15.223 -23.124 -3.798 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -12.860 -24.520 -2.520 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -14.528 -24.909 -2.150 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -15.781 -24.877 -4.893 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -12.041 -26.479 -3.485 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -15.787 -26.517 -6.758 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.049 -28.139 -5.328 1.00 0.00 H new ATOM 0 HH TYR A 34 -13.098 -28.905 -7.125 1.00 0.00 H new ATOM 559 N TYR A 35 -13.365 -21.959 -1.269 1.00 0.00 N ATOM 560 CA TYR A 35 -13.514 -21.243 -0.006 1.00 0.00 C ATOM 561 C TYR A 35 -14.036 -19.826 -0.268 1.00 0.00 C ATOM 562 O TYR A 35 -14.859 -19.341 0.507 1.00 0.00 O ATOM 563 CB TYR A 35 -12.227 -21.255 0.839 1.00 0.00 C ATOM 564 CG TYR A 35 -11.382 -20.003 0.722 1.00 0.00 C ATOM 565 CD1 TYR A 35 -10.444 -19.895 -0.314 1.00 0.00 C ATOM 566 CD2 TYR A 35 -11.598 -18.915 1.591 1.00 0.00 C ATOM 567 CE1 TYR A 35 -9.722 -18.706 -0.495 1.00 0.00 C ATOM 568 CE2 TYR A 35 -10.892 -17.713 1.408 1.00 0.00 C ATOM 569 CZ TYR A 35 -9.958 -17.600 0.353 1.00 0.00 C ATOM 570 OH TYR A 35 -9.280 -16.437 0.154 1.00 0.00 O ATOM 0 H TYR A 35 -12.405 -22.161 -1.548 1.00 0.00 H new ATOM 0 HA TYR A 35 -14.253 -21.770 0.597 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -12.497 -21.399 1.885 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -11.623 -22.113 0.545 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -10.276 -20.731 -0.976 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -12.308 -19.005 2.400 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -8.986 -18.636 -1.282 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -11.063 -16.878 2.072 1.00 0.00 H new ATOM 0 HH TYR A 35 -8.594 -16.572 -0.532 1.00 0.00 H new ATOM 580 N LEU A 36 -13.599 -19.166 -1.350 1.00 0.00 N ATOM 581 CA LEU A 36 -14.025 -17.806 -1.651 1.00 0.00 C ATOM 582 C LEU A 36 -15.527 -17.785 -1.927 1.00 0.00 C ATOM 583 O LEU A 36 -16.241 -17.005 -1.304 1.00 0.00 O ATOM 584 CB LEU A 36 -13.226 -17.240 -2.836 1.00 0.00 C ATOM 585 CG LEU A 36 -13.642 -15.810 -3.239 1.00 0.00 C ATOM 586 CD1 LEU A 36 -13.449 -14.789 -2.108 1.00 0.00 C ATOM 587 CD2 LEU A 36 -12.817 -15.364 -4.447 1.00 0.00 C ATOM 0 H LEU A 36 -12.948 -19.560 -2.029 1.00 0.00 H new ATOM 0 HA LEU A 36 -13.827 -17.168 -0.790 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.166 -17.242 -2.582 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -13.350 -17.900 -3.694 1.00 0.00 H new ATOM 0 HG LEU A 36 -14.706 -15.844 -3.475 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -13.759 -13.802 -2.452 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -14.053 -15.080 -1.248 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -12.398 -14.759 -1.820 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -13.109 -14.354 -4.734 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -11.758 -15.376 -4.189 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -12.995 -16.044 -5.280 1.00 0.00 H new ATOM 599 N ASP A 37 -16.018 -18.661 -2.805 1.00 0.00 N ATOM 600 CA ASP A 37 -17.435 -18.748 -3.150 1.00 0.00 C ATOM 601 C ASP A 37 -18.280 -19.047 -1.912 1.00 0.00 C ATOM 602 O ASP A 37 -19.327 -18.432 -1.712 1.00 0.00 O ATOM 603 CB ASP A 37 -17.661 -19.840 -4.200 1.00 0.00 C ATOM 604 CG ASP A 37 -19.153 -19.952 -4.549 1.00 0.00 C ATOM 605 OD1 ASP A 37 -19.670 -19.068 -5.266 1.00 0.00 O ATOM 606 OD2 ASP A 37 -19.802 -20.938 -4.131 1.00 0.00 O ATOM 0 H ASP A 37 -15.436 -19.336 -3.301 1.00 0.00 H new ATOM 0 HA ASP A 37 -17.741 -17.785 -3.559 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -17.088 -19.613 -5.099 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -17.297 -20.796 -3.823 1.00 0.00 H new ATOM 611 N ASP A 38 -17.799 -19.951 -1.053 1.00 0.00 N ATOM 612 CA ASP A 38 -18.452 -20.285 0.214 1.00 0.00 C ATOM 613 C ASP A 38 -18.460 -19.117 1.215 1.00 0.00 C ATOM 614 O ASP A 38 -19.348 -19.048 2.066 1.00 0.00 O ATOM 615 CB ASP A 38 -17.765 -21.503 0.844 1.00 0.00 C ATOM 616 CG ASP A 38 -18.434 -21.910 2.168 1.00 0.00 C ATOM 617 OD1 ASP A 38 -19.574 -22.427 2.139 1.00 0.00 O ATOM 618 OD2 ASP A 38 -17.807 -21.766 3.241 1.00 0.00 O ATOM 0 H ASP A 38 -16.940 -20.475 -1.220 1.00 0.00 H new ATOM 0 HA ASP A 38 -19.493 -20.511 -0.016 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -17.797 -22.340 0.147 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -16.714 -21.277 1.022 1.00 0.00 H new ATOM 623 N THR A 39 -17.506 -18.186 1.116 1.00 0.00 N ATOM 624 CA THR A 39 -17.351 -17.086 2.065 1.00 0.00 C ATOM 625 C THR A 39 -18.095 -15.830 1.595 1.00 0.00 C ATOM 626 O THR A 39 -18.669 -15.128 2.429 1.00 0.00 O ATOM 627 CB THR A 39 -15.853 -16.798 2.278 1.00 0.00 C ATOM 628 OG1 THR A 39 -15.196 -17.958 2.748 1.00 0.00 O ATOM 629 CG2 THR A 39 -15.615 -15.672 3.291 1.00 0.00 C ATOM 0 H THR A 39 -16.814 -18.177 0.366 1.00 0.00 H new ATOM 0 HA THR A 39 -17.795 -17.380 3.016 1.00 0.00 H new ATOM 0 HB THR A 39 -15.454 -16.489 1.312 1.00 0.00 H new ATOM 0 HG1 THR A 39 -14.778 -18.425 1.995 1.00 0.00 H new ATOM 0 HG21 THR A 39 -14.544 -15.507 3.406 1.00 0.00 H new ATOM 0 HG22 THR A 39 -16.087 -14.756 2.935 1.00 0.00 H new ATOM 0 HG23 THR A 39 -16.045 -15.951 4.253 1.00 0.00 H new ATOM 637 N LEU A 40 -18.097 -15.543 0.287 1.00 0.00 N ATOM 638 CA LEU A 40 -18.728 -14.352 -0.271 1.00 0.00 C ATOM 639 C LEU A 40 -20.212 -14.352 0.082 1.00 0.00 C ATOM 640 O LEU A 40 -20.951 -15.273 -0.270 1.00 0.00 O ATOM 641 CB LEU A 40 -18.557 -14.291 -1.802 1.00 0.00 C ATOM 642 CG LEU A 40 -17.153 -13.926 -2.325 1.00 0.00 C ATOM 643 CD1 LEU A 40 -17.123 -14.095 -3.849 1.00 0.00 C ATOM 644 CD2 LEU A 40 -16.714 -12.508 -1.961 1.00 0.00 C ATOM 0 H LEU A 40 -17.656 -16.138 -0.414 1.00 0.00 H new ATOM 0 HA LEU A 40 -18.243 -13.475 0.157 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -18.833 -15.261 -2.215 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -19.267 -13.564 -2.196 1.00 0.00 H new ATOM 0 HG LEU A 40 -16.450 -14.603 -1.840 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -16.132 -13.838 -4.224 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -17.351 -15.130 -4.105 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -17.864 -13.437 -4.303 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -15.718 -12.322 -2.362 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -17.416 -11.790 -2.385 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -16.695 -12.400 -0.877 1.00 0.00 H new ATOM 656 N GLU A 41 -20.661 -13.279 0.723 1.00 0.00 N ATOM 657 CA GLU A 41 -22.046 -12.970 1.031 1.00 0.00 C ATOM 658 C GLU A 41 -22.725 -12.414 -0.237 1.00 0.00 C ATOM 659 O GLU A 41 -23.270 -11.311 -0.257 1.00 0.00 O ATOM 660 CB GLU A 41 -22.017 -12.004 2.229 1.00 0.00 C ATOM 661 CG GLU A 41 -23.377 -11.698 2.849 1.00 0.00 C ATOM 662 CD GLU A 41 -24.033 -12.933 3.493 1.00 0.00 C ATOM 663 OE1 GLU A 41 -24.770 -13.667 2.797 1.00 0.00 O ATOM 664 OE2 GLU A 41 -23.840 -13.170 4.708 1.00 0.00 O ATOM 0 H GLU A 41 -20.024 -12.558 1.062 1.00 0.00 H new ATOM 0 HA GLU A 41 -22.641 -13.837 1.317 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -21.371 -12.425 2.999 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -21.562 -11.067 1.909 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -23.260 -10.920 3.603 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -24.040 -11.300 2.081 1.00 0.00 H new ATOM 671 N PHE A 42 -22.585 -13.134 -1.352 1.00 0.00 N ATOM 672 CA PHE A 42 -23.143 -12.736 -2.640 1.00 0.00 C ATOM 673 C PHE A 42 -24.682 -12.857 -2.639 1.00 0.00 C ATOM 674 O PHE A 42 -25.220 -13.697 -1.909 1.00 0.00 O ATOM 675 CB PHE A 42 -22.488 -13.536 -3.781 1.00 0.00 C ATOM 676 CG PHE A 42 -22.869 -15.005 -3.877 1.00 0.00 C ATOM 677 CD1 PHE A 42 -24.048 -15.389 -4.547 1.00 0.00 C ATOM 678 CD2 PHE A 42 -22.032 -15.996 -3.328 1.00 0.00 C ATOM 679 CE1 PHE A 42 -24.397 -16.747 -4.648 1.00 0.00 C ATOM 680 CE2 PHE A 42 -22.382 -17.354 -3.428 1.00 0.00 C ATOM 681 CZ PHE A 42 -23.566 -17.731 -4.086 1.00 0.00 C ATOM 0 H PHE A 42 -22.076 -14.017 -1.383 1.00 0.00 H new ATOM 0 HA PHE A 42 -22.915 -11.684 -2.812 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -22.740 -13.054 -4.726 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -21.406 -13.470 -3.668 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -24.687 -14.636 -4.985 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -21.118 -15.712 -2.828 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -25.305 -17.034 -5.158 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -21.740 -18.109 -2.999 1.00 0.00 H new ATOM 0 HZ PHE A 42 -23.836 -18.774 -4.159 1.00 0.00 H new ATOM 691 N PRO A 43 -25.406 -12.080 -3.471 1.00 0.00 N ATOM 692 CA PRO A 43 -24.901 -10.957 -4.257 1.00 0.00 C ATOM 693 C PRO A 43 -24.509 -9.791 -3.336 1.00 0.00 C ATOM 694 O PRO A 43 -25.087 -9.610 -2.261 1.00 0.00 O ATOM 695 CB PRO A 43 -26.046 -10.575 -5.200 1.00 0.00 C ATOM 696 CG PRO A 43 -27.297 -10.966 -4.417 1.00 0.00 C ATOM 697 CD PRO A 43 -26.847 -12.205 -3.641 1.00 0.00 C ATOM 0 HA PRO A 43 -24.002 -11.214 -4.817 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -26.035 -9.510 -5.434 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -25.982 -11.110 -6.147 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -27.621 -10.168 -3.749 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -28.134 -11.187 -5.079 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -27.349 -12.262 -2.675 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -27.097 -13.116 -4.185 1.00 0.00 H new ATOM 705 N PHE A 44 -23.532 -8.996 -3.769 1.00 0.00 N ATOM 706 CA PHE A 44 -23.020 -7.832 -3.049 1.00 0.00 C ATOM 707 C PHE A 44 -22.795 -6.702 -4.057 1.00 0.00 C ATOM 708 O PHE A 44 -23.193 -6.837 -5.214 1.00 0.00 O ATOM 709 CB PHE A 44 -21.762 -8.207 -2.243 1.00 0.00 C ATOM 710 CG PHE A 44 -20.515 -8.618 -3.020 1.00 0.00 C ATOM 711 CD1 PHE A 44 -20.347 -9.946 -3.458 1.00 0.00 C ATOM 712 CD2 PHE A 44 -19.472 -7.695 -3.229 1.00 0.00 C ATOM 713 CE1 PHE A 44 -19.157 -10.345 -4.091 1.00 0.00 C ATOM 714 CE2 PHE A 44 -18.280 -8.090 -3.859 1.00 0.00 C ATOM 715 CZ PHE A 44 -18.117 -9.419 -4.283 1.00 0.00 C ATOM 0 H PHE A 44 -23.060 -9.150 -4.660 1.00 0.00 H new ATOM 0 HA PHE A 44 -23.740 -7.478 -2.312 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -21.500 -7.355 -1.616 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -22.025 -9.026 -1.574 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -21.139 -10.664 -3.306 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -19.590 -6.673 -2.901 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -19.042 -11.364 -4.430 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -17.489 -7.372 -4.017 1.00 0.00 H new ATOM 0 HZ PHE A 44 -17.196 -9.728 -4.755 1.00 0.00 H new ATOM 725 N MET A 45 -22.183 -5.583 -3.663 1.00 0.00 N ATOM 726 CA MET A 45 -21.928 -4.480 -4.583 1.00 0.00 C ATOM 727 C MET A 45 -20.482 -4.009 -4.505 1.00 0.00 C ATOM 728 O MET A 45 -19.728 -4.377 -3.604 1.00 0.00 O ATOM 729 CB MET A 45 -22.956 -3.351 -4.386 1.00 0.00 C ATOM 730 CG MET A 45 -22.688 -2.419 -3.195 1.00 0.00 C ATOM 731 SD MET A 45 -23.159 -0.687 -3.475 1.00 0.00 S ATOM 732 CE MET A 45 -21.956 -0.202 -4.753 1.00 0.00 C ATOM 0 H MET A 45 -21.856 -5.420 -2.711 1.00 0.00 H new ATOM 0 HA MET A 45 -22.063 -4.841 -5.603 1.00 0.00 H new ATOM 0 HB2 MET A 45 -22.990 -2.751 -5.295 1.00 0.00 H new ATOM 0 HB3 MET A 45 -23.942 -3.798 -4.262 1.00 0.00 H new ATOM 0 HG2 MET A 45 -23.230 -2.794 -2.327 1.00 0.00 H new ATOM 0 HG3 MET A 45 -21.627 -2.459 -2.950 1.00 0.00 H new ATOM 0 HE1 MET A 45 -21.750 0.865 -4.672 1.00 0.00 H new ATOM 0 HE2 MET A 45 -21.031 -0.762 -4.614 1.00 0.00 H new ATOM 0 HE3 MET A 45 -22.366 -0.418 -5.739 1.00 0.00 H new ATOM 742 N GLY A 46 -20.094 -3.175 -5.457 1.00 0.00 N ATOM 743 CA GLY A 46 -18.743 -2.677 -5.533 1.00 0.00 C ATOM 744 C GLY A 46 -18.619 -1.546 -6.525 1.00 0.00 C ATOM 745 O GLY A 46 -19.591 -1.107 -7.146 1.00 0.00 O ATOM 0 H GLY A 46 -20.710 -2.829 -6.193 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -18.426 -2.334 -4.548 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -18.072 -3.487 -5.819 1.00 0.00 H new ATOM 749 N LYS A 47 -17.382 -1.100 -6.674 1.00 0.00 N ATOM 750 CA LYS A 47 -16.969 -0.174 -7.709 1.00 0.00 C ATOM 751 C LYS A 47 -15.939 -0.907 -8.556 1.00 0.00 C ATOM 752 O LYS A 47 -14.915 -1.344 -8.031 1.00 0.00 O ATOM 753 CB LYS A 47 -16.399 1.096 -7.051 1.00 0.00 C ATOM 754 CG LYS A 47 -16.344 2.284 -8.020 1.00 0.00 C ATOM 755 CD LYS A 47 -17.710 2.970 -8.192 1.00 0.00 C ATOM 756 CE LYS A 47 -18.113 3.812 -6.972 1.00 0.00 C ATOM 757 NZ LYS A 47 -19.305 4.652 -7.253 1.00 0.00 N ATOM 0 H LYS A 47 -16.618 -1.382 -6.059 1.00 0.00 H new ATOM 0 HA LYS A 47 -17.795 0.147 -8.343 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -17.012 1.362 -6.190 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -15.396 0.889 -6.677 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -15.619 3.012 -7.656 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -15.989 1.940 -8.992 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -17.682 3.609 -9.075 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -18.472 2.212 -8.372 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -18.322 3.154 -6.129 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -17.279 4.450 -6.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -19.778 4.894 -6.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -19.009 5.525 -7.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -19.964 4.126 -7.862 1.00 0.00 H new ATOM 771 N TRP A 48 -16.207 -1.080 -9.846 1.00 0.00 N ATOM 772 CA TRP A 48 -15.210 -1.566 -10.788 1.00 0.00 C ATOM 773 C TRP A 48 -14.308 -0.368 -11.072 1.00 0.00 C ATOM 774 O TRP A 48 -14.734 0.597 -11.709 1.00 0.00 O ATOM 775 CB TRP A 48 -15.876 -2.149 -12.049 1.00 0.00 C ATOM 776 CG TRP A 48 -14.988 -2.883 -13.019 1.00 0.00 C ATOM 777 CD1 TRP A 48 -13.635 -2.873 -13.038 1.00 0.00 C ATOM 778 CD2 TRP A 48 -15.368 -3.764 -14.128 1.00 0.00 C ATOM 779 NE1 TRP A 48 -13.163 -3.671 -14.048 1.00 0.00 N ATOM 780 CE2 TRP A 48 -14.180 -4.272 -14.738 1.00 0.00 C ATOM 781 CE3 TRP A 48 -16.591 -4.194 -14.687 1.00 0.00 C ATOM 782 CZ2 TRP A 48 -14.193 -5.167 -15.815 1.00 0.00 C ATOM 783 CZ3 TRP A 48 -16.618 -5.099 -15.769 1.00 0.00 C ATOM 784 CH2 TRP A 48 -15.425 -5.589 -16.328 1.00 0.00 C ATOM 0 H TRP A 48 -17.117 -0.888 -10.265 1.00 0.00 H new ATOM 0 HA TRP A 48 -14.622 -2.393 -10.389 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -16.664 -2.831 -11.730 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -16.359 -1.332 -12.585 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -13.014 -2.315 -12.353 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -12.174 -3.801 -14.259 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -17.521 -3.824 -14.280 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -13.268 -5.525 -16.242 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -17.567 -5.419 -16.173 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -15.459 -6.288 -17.150 1.00 0.00 H new ATOM 795 N LYS A 49 -13.080 -0.412 -10.550 1.00 0.00 N ATOM 796 CA LYS A 49 -12.049 0.621 -10.682 1.00 0.00 C ATOM 797 C LYS A 49 -11.358 0.456 -12.050 1.00 0.00 C ATOM 798 O LYS A 49 -10.136 0.341 -12.132 1.00 0.00 O ATOM 799 CB LYS A 49 -11.048 0.480 -9.509 1.00 0.00 C ATOM 800 CG LYS A 49 -11.662 0.299 -8.106 1.00 0.00 C ATOM 801 CD LYS A 49 -12.429 1.507 -7.551 1.00 0.00 C ATOM 802 CE LYS A 49 -11.463 2.578 -7.027 1.00 0.00 C ATOM 803 NZ LYS A 49 -12.107 3.469 -6.035 1.00 0.00 N ATOM 0 H LYS A 49 -12.762 -1.208 -9.997 1.00 0.00 H new ATOM 0 HA LYS A 49 -12.482 1.620 -10.638 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -10.401 -0.373 -9.712 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -10.413 1.365 -9.493 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -12.338 -0.555 -8.134 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -10.862 0.049 -7.409 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -13.060 1.932 -8.332 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -13.091 1.184 -6.747 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -10.598 2.095 -6.573 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.093 3.173 -7.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -11.378 4.017 -5.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -12.755 4.120 -6.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -12.641 2.897 -5.350 1.00 0.00 H new ATOM 817 N LYS A 50 -12.149 0.340 -13.118 1.00 0.00 N ATOM 818 CA LYS A 50 -11.692 -0.052 -14.449 1.00 0.00 C ATOM 819 C LYS A 50 -10.597 0.880 -14.960 1.00 0.00 C ATOM 820 O LYS A 50 -10.845 2.069 -15.136 1.00 0.00 O ATOM 821 CB LYS A 50 -12.906 -0.099 -15.394 1.00 0.00 C ATOM 822 CG LYS A 50 -12.518 -0.537 -16.817 1.00 0.00 C ATOM 823 CD LYS A 50 -13.729 -0.832 -17.715 1.00 0.00 C ATOM 824 CE LYS A 50 -14.488 -2.087 -17.255 1.00 0.00 C ATOM 825 NZ LYS A 50 -15.574 -2.473 -18.189 1.00 0.00 N ATOM 0 H LYS A 50 -13.152 0.521 -13.078 1.00 0.00 H new ATOM 0 HA LYS A 50 -11.243 -1.044 -14.405 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -13.650 -0.788 -14.994 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -13.372 0.885 -15.433 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -11.915 0.245 -17.278 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -11.893 -1.428 -16.757 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -14.404 0.024 -17.708 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.395 -0.966 -18.744 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -13.787 -2.916 -17.157 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -14.911 -1.909 -16.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -16.053 -3.324 -17.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -16.260 -1.695 -18.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -15.171 -2.671 -19.127 1.00 0.00 H new ATOM 976 N GLU A 59 -11.420 4.554 -14.036 1.00 0.00 N ATOM 977 CA GLU A 59 -12.830 4.871 -14.166 1.00 0.00 C ATOM 978 C GLU A 59 -13.511 4.066 -13.060 1.00 0.00 C ATOM 979 O GLU A 59 -13.020 3.007 -12.657 1.00 0.00 O ATOM 980 CB GLU A 59 -13.362 4.447 -15.545 1.00 0.00 C ATOM 981 CG GLU A 59 -12.901 5.349 -16.696 1.00 0.00 C ATOM 982 CD GLU A 59 -13.769 6.612 -16.853 1.00 0.00 C ATOM 983 OE1 GLU A 59 -13.836 7.450 -15.927 1.00 0.00 O ATOM 984 OE2 GLU A 59 -14.370 6.782 -17.941 1.00 0.00 O ATOM 0 HA GLU A 59 -13.019 5.941 -14.079 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -13.042 3.425 -15.748 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -14.452 4.440 -15.516 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -11.866 5.645 -16.527 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -12.922 4.782 -17.626 1.00 0.00 H new ATOM 991 N GLU A 60 -14.643 4.555 -12.563 1.00 0.00 N ATOM 992 CA GLU A 60 -15.278 4.021 -11.369 1.00 0.00 C ATOM 993 C GLU A 60 -16.741 3.738 -11.705 1.00 0.00 C ATOM 994 O GLU A 60 -17.588 4.633 -11.664 1.00 0.00 O ATOM 995 CB GLU A 60 -15.095 5.016 -10.209 1.00 0.00 C ATOM 996 CG GLU A 60 -13.625 5.161 -9.788 1.00 0.00 C ATOM 997 CD GLU A 60 -13.505 5.955 -8.479 1.00 0.00 C ATOM 998 OE1 GLU A 60 -13.596 5.335 -7.396 1.00 0.00 O ATOM 999 OE2 GLU A 60 -13.306 7.191 -8.522 1.00 0.00 O ATOM 0 H GLU A 60 -15.146 5.337 -12.982 1.00 0.00 H new ATOM 0 HA GLU A 60 -14.824 3.085 -11.044 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -15.483 5.991 -10.505 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -15.684 4.685 -9.354 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -13.180 4.174 -9.661 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -13.065 5.665 -10.576 1.00 0.00 H new ATOM 1006 N LYS A 61 -17.026 2.491 -12.087 1.00 0.00 N ATOM 1007 CA LYS A 61 -18.367 2.046 -12.464 1.00 0.00 C ATOM 1008 C LYS A 61 -18.984 1.348 -11.259 1.00 0.00 C ATOM 1009 O LYS A 61 -18.419 0.371 -10.771 1.00 0.00 O ATOM 1010 CB LYS A 61 -18.247 1.117 -13.685 1.00 0.00 C ATOM 1011 CG LYS A 61 -19.592 0.516 -14.117 1.00 0.00 C ATOM 1012 CD LYS A 61 -19.454 -0.358 -15.377 1.00 0.00 C ATOM 1013 CE LYS A 61 -19.403 0.444 -16.688 1.00 0.00 C ATOM 1014 NZ LYS A 61 -20.649 1.211 -16.946 1.00 0.00 N ATOM 0 H LYS A 61 -16.323 1.754 -12.143 1.00 0.00 H new ATOM 0 HA LYS A 61 -19.014 2.877 -12.744 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -17.820 1.675 -14.518 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -17.552 0.310 -13.453 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -20.000 -0.083 -13.303 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -20.303 1.319 -14.309 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -18.548 -0.958 -15.294 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -20.293 -1.052 -15.420 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -18.559 1.133 -16.654 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -19.224 -0.239 -17.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -20.465 1.941 -17.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -21.389 0.566 -17.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -20.966 1.664 -16.065 1.00 0.00 H new ATOM 1028 N THR A 62 -20.106 1.843 -10.746 1.00 0.00 N ATOM 1029 CA THR A 62 -20.821 1.182 -9.660 1.00 0.00 C ATOM 1030 C THR A 62 -21.449 -0.108 -10.199 1.00 0.00 C ATOM 1031 O THR A 62 -22.054 -0.105 -11.274 1.00 0.00 O ATOM 1032 CB THR A 62 -21.866 2.149 -9.083 1.00 0.00 C ATOM 1033 OG1 THR A 62 -21.284 3.433 -8.919 1.00 0.00 O ATOM 1034 CG2 THR A 62 -22.351 1.696 -7.707 1.00 0.00 C ATOM 0 H THR A 62 -20.542 2.707 -11.068 1.00 0.00 H new ATOM 0 HA THR A 62 -20.146 0.911 -8.849 1.00 0.00 H new ATOM 0 HB THR A 62 -22.705 2.172 -9.778 1.00 0.00 H new ATOM 0 HG1 THR A 62 -21.951 4.050 -8.553 1.00 0.00 H new ATOM 0 HG21 THR A 62 -23.089 2.404 -7.330 1.00 0.00 H new ATOM 0 HG22 THR A 62 -22.804 0.708 -7.788 1.00 0.00 H new ATOM 0 HG23 THR A 62 -21.506 1.652 -7.020 1.00 0.00 H new ATOM 1042 N VAL A 63 -21.311 -1.207 -9.459 1.00 0.00 N ATOM 1043 CA VAL A 63 -21.715 -2.526 -9.920 1.00 0.00 C ATOM 1044 C VAL A 63 -22.324 -3.357 -8.790 1.00 0.00 C ATOM 1045 O VAL A 63 -22.007 -3.154 -7.617 1.00 0.00 O ATOM 1046 CB VAL A 63 -20.514 -3.262 -10.544 1.00 0.00 C ATOM 1047 CG1 VAL A 63 -20.073 -2.684 -11.896 1.00 0.00 C ATOM 1048 CG2 VAL A 63 -19.279 -3.374 -9.633 1.00 0.00 C ATOM 0 H VAL A 63 -20.914 -1.203 -8.520 1.00 0.00 H new ATOM 0 HA VAL A 63 -22.485 -2.392 -10.680 1.00 0.00 H new ATOM 0 HB VAL A 63 -20.912 -4.265 -10.693 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -19.223 -3.252 -12.275 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -20.898 -2.748 -12.606 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -19.784 -1.641 -11.769 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -18.486 -3.907 -10.158 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -18.931 -2.376 -9.368 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -19.544 -3.919 -8.727 1.00 0.00 H new ATOM 1058 N GLU A 64 -23.167 -4.323 -9.156 1.00 0.00 N ATOM 1059 CA GLU A 64 -23.678 -5.351 -8.262 1.00 0.00 C ATOM 1060 C GLU A 64 -22.957 -6.635 -8.665 1.00 0.00 C ATOM 1061 O GLU A 64 -23.068 -7.076 -9.809 1.00 0.00 O ATOM 1062 CB GLU A 64 -25.206 -5.453 -8.384 1.00 0.00 C ATOM 1063 CG GLU A 64 -25.807 -6.399 -7.336 1.00 0.00 C ATOM 1064 CD GLU A 64 -27.346 -6.393 -7.386 1.00 0.00 C ATOM 1065 OE1 GLU A 64 -27.942 -7.130 -8.203 1.00 0.00 O ATOM 1066 OE2 GLU A 64 -27.979 -5.662 -6.591 1.00 0.00 O ATOM 0 H GLU A 64 -23.520 -4.410 -10.109 1.00 0.00 H new ATOM 0 HA GLU A 64 -23.490 -5.131 -7.211 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -25.645 -4.462 -8.271 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -25.467 -5.806 -9.382 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -25.440 -7.411 -7.506 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -25.473 -6.102 -6.342 1.00 0.00 H new ATOM 1073 N VAL A 65 -22.157 -7.192 -7.762 1.00 0.00 N ATOM 1074 CA VAL A 65 -21.384 -8.398 -7.996 1.00 0.00 C ATOM 1075 C VAL A 65 -22.314 -9.557 -7.640 1.00 0.00 C ATOM 1076 O VAL A 65 -22.706 -9.727 -6.482 1.00 0.00 O ATOM 1077 CB VAL A 65 -20.081 -8.369 -7.173 1.00 0.00 C ATOM 1078 CG1 VAL A 65 -19.175 -9.521 -7.623 1.00 0.00 C ATOM 1079 CG2 VAL A 65 -19.310 -7.047 -7.357 1.00 0.00 C ATOM 0 H VAL A 65 -22.028 -6.806 -6.827 1.00 0.00 H new ATOM 0 HA VAL A 65 -21.054 -8.500 -9.030 1.00 0.00 H new ATOM 0 HB VAL A 65 -20.354 -8.466 -6.122 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -18.252 -9.505 -7.044 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -19.687 -10.470 -7.464 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -18.941 -9.408 -8.682 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -18.399 -7.071 -6.759 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -19.051 -6.920 -8.408 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -19.934 -6.214 -7.034 1.00 0.00 H new ATOM 1089 N LEU A 66 -22.730 -10.313 -8.655 1.00 0.00 N ATOM 1090 CA LEU A 66 -23.784 -11.310 -8.524 1.00 0.00 C ATOM 1091 C LEU A 66 -23.290 -12.583 -7.837 1.00 0.00 C ATOM 1092 O LEU A 66 -24.077 -13.250 -7.168 1.00 0.00 O ATOM 1093 CB LEU A 66 -24.364 -11.659 -9.906 1.00 0.00 C ATOM 1094 CG LEU A 66 -24.873 -10.464 -10.738 1.00 0.00 C ATOM 1095 CD1 LEU A 66 -25.509 -10.985 -12.028 1.00 0.00 C ATOM 1096 CD2 LEU A 66 -25.889 -9.600 -9.985 1.00 0.00 C ATOM 0 H LEU A 66 -22.341 -10.248 -9.596 1.00 0.00 H new ATOM 0 HA LEU A 66 -24.563 -10.874 -7.898 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -23.597 -12.178 -10.481 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -25.188 -12.359 -9.768 1.00 0.00 H new ATOM 0 HG LEU A 66 -24.012 -9.831 -10.954 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -25.871 -10.145 -12.620 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -24.767 -11.540 -12.601 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -26.343 -11.642 -11.783 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -26.209 -8.776 -10.623 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -26.753 -10.207 -9.715 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -25.429 -9.201 -9.081 1.00 0.00 H new ATOM 1108 N GLY A 67 -22.012 -12.930 -8.002 1.00 0.00 N ATOM 1109 CA GLY A 67 -21.421 -14.160 -7.515 1.00 0.00 C ATOM 1110 C GLY A 67 -20.164 -14.440 -8.330 1.00 0.00 C ATOM 1111 O GLY A 67 -19.792 -13.661 -9.212 1.00 0.00 O ATOM 0 H GLY A 67 -21.345 -12.337 -8.496 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -21.176 -14.071 -6.457 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -22.127 -14.985 -7.610 1.00 0.00 H new ATOM 1115 N MET A 68 -19.503 -15.554 -8.041 1.00 0.00 N ATOM 1116 CA MET A 68 -18.367 -16.022 -8.830 1.00 0.00 C ATOM 1117 C MET A 68 -18.814 -16.377 -10.252 1.00 0.00 C ATOM 1118 O MET A 68 -19.947 -16.818 -10.471 1.00 0.00 O ATOM 1119 CB MET A 68 -17.710 -17.240 -8.166 1.00 0.00 C ATOM 1120 CG MET A 68 -17.043 -16.927 -6.821 1.00 0.00 C ATOM 1121 SD MET A 68 -15.686 -15.722 -6.866 1.00 0.00 S ATOM 1122 CE MET A 68 -14.467 -16.639 -7.846 1.00 0.00 C ATOM 0 H MET A 68 -19.738 -16.159 -7.254 1.00 0.00 H new ATOM 0 HA MET A 68 -17.634 -15.217 -8.881 1.00 0.00 H new ATOM 0 HB2 MET A 68 -18.465 -18.012 -8.016 1.00 0.00 H new ATOM 0 HB3 MET A 68 -16.963 -17.653 -8.844 1.00 0.00 H new ATOM 0 HG2 MET A 68 -17.807 -16.558 -6.136 1.00 0.00 H new ATOM 0 HG3 MET A 68 -16.662 -17.858 -6.402 1.00 0.00 H new ATOM 0 HE1 MET A 68 -13.520 -16.098 -7.848 1.00 0.00 H new ATOM 0 HE2 MET A 68 -14.320 -17.627 -7.411 1.00 0.00 H new ATOM 0 HE3 MET A 68 -14.827 -16.743 -8.870 1.00 0.00 H new ATOM 1132 N ALA A 69 -17.906 -16.202 -11.214 1.00 0.00 N ATOM 1133 CA ALA A 69 -18.062 -16.675 -12.586 1.00 0.00 C ATOM 1134 C ALA A 69 -17.998 -18.218 -12.635 1.00 0.00 C ATOM 1135 O ALA A 69 -17.661 -18.837 -11.622 1.00 0.00 O ATOM 1136 CB ALA A 69 -16.955 -16.029 -13.424 1.00 0.00 C ATOM 0 H ALA A 69 -17.023 -15.716 -11.055 1.00 0.00 H new ATOM 0 HA ALA A 69 -19.035 -16.393 -12.989 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -17.041 -16.361 -14.459 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -17.053 -14.944 -13.382 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -15.982 -16.321 -13.029 1.00 0.00 H new ATOM 1142 N PRO A 70 -18.299 -18.858 -13.785 1.00 0.00 N ATOM 1143 CA PRO A 70 -18.087 -20.289 -13.979 1.00 0.00 C ATOM 1144 C PRO A 70 -16.685 -20.740 -13.567 1.00 0.00 C ATOM 1145 O PRO A 70 -15.703 -20.008 -13.722 1.00 0.00 O ATOM 1146 CB PRO A 70 -18.355 -20.555 -15.464 1.00 0.00 C ATOM 1147 CG PRO A 70 -19.359 -19.463 -15.827 1.00 0.00 C ATOM 1148 CD PRO A 70 -18.886 -18.279 -14.987 1.00 0.00 C ATOM 0 HA PRO A 70 -18.758 -20.865 -13.341 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -17.445 -20.481 -16.059 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -18.764 -21.552 -15.629 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -19.342 -19.236 -16.893 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -20.380 -19.753 -15.579 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -18.155 -17.680 -15.531 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -19.717 -17.619 -14.738 1.00 0.00 H new ATOM 1156 N ASP A 71 -16.585 -21.984 -13.100 1.00 0.00 N ATOM 1157 CA ASP A 71 -15.324 -22.577 -12.665 1.00 0.00 C ATOM 1158 C ASP A 71 -14.288 -22.604 -13.792 1.00 0.00 C ATOM 1159 O ASP A 71 -13.097 -22.503 -13.515 1.00 0.00 O ATOM 1160 CB ASP A 71 -15.543 -23.989 -12.100 1.00 0.00 C ATOM 1161 CG ASP A 71 -15.682 -25.064 -13.193 1.00 0.00 C ATOM 1162 OD1 ASP A 71 -16.760 -25.144 -13.824 1.00 0.00 O ATOM 1163 OD2 ASP A 71 -14.738 -25.858 -13.401 1.00 0.00 O ATOM 0 H ASP A 71 -17.384 -22.612 -13.013 1.00 0.00 H new ATOM 0 HA ASP A 71 -14.930 -21.944 -11.870 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -14.707 -24.247 -11.450 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -16.440 -23.991 -11.481 1.00 0.00 H new ATOM 1168 N ASP A 72 -14.730 -22.678 -15.053 1.00 0.00 N ATOM 1169 CA ASP A 72 -13.840 -22.683 -16.218 1.00 0.00 C ATOM 1170 C ASP A 72 -13.166 -21.322 -16.419 1.00 0.00 C ATOM 1171 O ASP A 72 -11.996 -21.249 -16.808 1.00 0.00 O ATOM 1172 CB ASP A 72 -14.627 -23.058 -17.477 1.00 0.00 C ATOM 1173 CG ASP A 72 -13.714 -23.070 -18.715 1.00 0.00 C ATOM 1174 OD1 ASP A 72 -12.908 -24.015 -18.867 1.00 0.00 O ATOM 1175 OD2 ASP A 72 -13.831 -22.163 -19.569 1.00 0.00 O ATOM 0 H ASP A 72 -15.719 -22.736 -15.294 1.00 0.00 H new ATOM 0 HA ASP A 72 -13.061 -23.423 -16.036 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -15.082 -24.040 -17.347 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -15.440 -22.347 -17.627 1.00 0.00 H new ATOM 1180 N GLU A 73 -13.875 -20.232 -16.104 1.00 0.00 N ATOM 1181 CA GLU A 73 -13.271 -18.907 -16.049 1.00 0.00 C ATOM 1182 C GLU A 73 -12.281 -18.903 -14.884 1.00 0.00 C ATOM 1183 O GLU A 73 -11.113 -18.540 -15.052 1.00 0.00 O ATOM 1184 CB GLU A 73 -14.332 -17.803 -15.867 1.00 0.00 C ATOM 1185 CG GLU A 73 -15.403 -17.756 -16.968 1.00 0.00 C ATOM 1186 CD GLU A 73 -14.827 -17.583 -18.387 1.00 0.00 C ATOM 1187 OE1 GLU A 73 -13.938 -16.728 -18.600 1.00 0.00 O ATOM 1188 OE2 GLU A 73 -15.287 -18.282 -19.319 1.00 0.00 O ATOM 0 H GLU A 73 -14.871 -20.248 -15.884 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.763 -18.694 -16.990 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -14.825 -17.946 -14.905 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -13.829 -16.837 -15.827 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -15.988 -18.675 -16.933 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -16.088 -16.934 -16.761 1.00 0.00 H new ATOM 1195 N CYS A 74 -12.721 -19.392 -13.724 1.00 0.00 N ATOM 1196 CA CYS A 74 -11.999 -19.291 -12.465 1.00 0.00 C ATOM 1197 C CYS A 74 -10.801 -20.243 -12.324 1.00 0.00 C ATOM 1198 O CYS A 74 -10.296 -20.417 -11.216 1.00 0.00 O ATOM 1199 CB CYS A 74 -12.972 -19.438 -11.294 1.00 0.00 C ATOM 1200 SG CYS A 74 -14.293 -18.196 -11.418 1.00 0.00 S ATOM 0 H CYS A 74 -13.612 -19.881 -13.637 1.00 0.00 H new ATOM 0 HA CYS A 74 -11.552 -18.297 -12.455 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -13.403 -20.439 -11.293 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -12.438 -19.320 -10.351 1.00 0.00 H new ATOM 0 HG CYS A 74 -15.154 -18.567 -12.319 1.00 0.00 H new ATOM 1206 N LEU A 75 -10.320 -20.849 -13.414 1.00 0.00 N ATOM 1207 CA LEU A 75 -9.097 -21.659 -13.418 1.00 0.00 C ATOM 1208 C LEU A 75 -7.831 -20.792 -13.340 1.00 0.00 C ATOM 1209 O LEU A 75 -6.744 -21.336 -13.141 1.00 0.00 O ATOM 1210 CB LEU A 75 -9.019 -22.525 -14.694 1.00 0.00 C ATOM 1211 CG LEU A 75 -10.035 -23.679 -14.787 1.00 0.00 C ATOM 1212 CD1 LEU A 75 -9.876 -24.392 -16.134 1.00 0.00 C ATOM 1213 CD2 LEU A 75 -9.869 -24.706 -13.658 1.00 0.00 C ATOM 0 H LEU A 75 -10.772 -20.791 -14.326 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.144 -22.295 -12.534 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -9.155 -21.876 -15.559 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.015 -22.944 -14.765 1.00 0.00 H new ATOM 0 HG LEU A 75 -11.028 -23.240 -14.692 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -10.595 -25.209 -16.200 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -10.055 -23.684 -16.944 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.865 -24.791 -16.218 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -10.611 -25.496 -13.773 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -8.869 -25.137 -13.703 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -10.009 -24.214 -12.695 1.00 0.00 H new ATOM 1225 N LYS A 76 -7.943 -19.467 -13.520 1.00 0.00 N ATOM 1226 CA LYS A 76 -6.781 -18.586 -13.691 1.00 0.00 C ATOM 1227 C LYS A 76 -6.894 -17.234 -12.991 1.00 0.00 C ATOM 1228 O LYS A 76 -5.874 -16.590 -12.752 1.00 0.00 O ATOM 1229 CB LYS A 76 -6.532 -18.413 -15.199 1.00 0.00 C ATOM 1230 CG LYS A 76 -7.633 -17.622 -15.937 1.00 0.00 C ATOM 1231 CD LYS A 76 -7.719 -17.986 -17.429 1.00 0.00 C ATOM 1232 CE LYS A 76 -8.397 -19.348 -17.680 1.00 0.00 C ATOM 1233 NZ LYS A 76 -9.873 -19.297 -17.499 1.00 0.00 N ATOM 0 H LYS A 76 -8.838 -18.979 -13.551 1.00 0.00 H new ATOM 0 HA LYS A 76 -5.933 -19.066 -13.202 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -5.578 -17.905 -15.342 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -6.440 -19.398 -15.656 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -8.595 -17.816 -15.463 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.438 -16.554 -15.837 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.273 -17.209 -17.955 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -6.714 -18.003 -17.851 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -8.171 -19.681 -18.693 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -7.977 -20.089 -17.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.264 -20.259 -17.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.095 -18.894 -16.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.293 -18.703 -18.242 1.00 0.00 H new ATOM 1247 N ASP A 77 -8.102 -16.795 -12.647 1.00 0.00 N ATOM 1248 CA ASP A 77 -8.342 -15.537 -11.934 1.00 0.00 C ATOM 1249 C ASP A 77 -9.676 -15.682 -11.208 1.00 0.00 C ATOM 1250 O ASP A 77 -10.524 -16.446 -11.670 1.00 0.00 O ATOM 1251 CB ASP A 77 -8.400 -14.377 -12.939 1.00 0.00 C ATOM 1252 CG ASP A 77 -8.462 -13.004 -12.256 1.00 0.00 C ATOM 1253 OD1 ASP A 77 -9.566 -12.563 -11.869 1.00 0.00 O ATOM 1254 OD2 ASP A 77 -7.394 -12.363 -12.136 1.00 0.00 O ATOM 0 H ASP A 77 -8.957 -17.309 -12.858 1.00 0.00 H new ATOM 0 HA ASP A 77 -7.543 -15.325 -11.224 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -7.523 -14.417 -13.585 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -9.274 -14.500 -13.579 1.00 0.00 H new ATOM 1259 N MET A 78 -9.887 -14.999 -10.082 1.00 0.00 N ATOM 1260 CA MET A 78 -11.175 -15.008 -9.398 1.00 0.00 C ATOM 1261 C MET A 78 -12.123 -14.074 -10.156 1.00 0.00 C ATOM 1262 O MET A 78 -12.300 -12.909 -9.798 1.00 0.00 O ATOM 1263 CB MET A 78 -11.017 -14.628 -7.918 1.00 0.00 C ATOM 1264 CG MET A 78 -10.244 -15.679 -7.108 1.00 0.00 C ATOM 1265 SD MET A 78 -10.982 -17.340 -6.984 1.00 0.00 S ATOM 1266 CE MET A 78 -10.033 -18.250 -8.238 1.00 0.00 C ATOM 0 H MET A 78 -9.175 -14.430 -9.624 1.00 0.00 H new ATOM 0 HA MET A 78 -11.601 -16.011 -9.397 1.00 0.00 H new ATOM 0 HB2 MET A 78 -10.500 -13.671 -7.847 1.00 0.00 H new ATOM 0 HB3 MET A 78 -12.004 -14.491 -7.476 1.00 0.00 H new ATOM 0 HG2 MET A 78 -9.252 -15.782 -7.547 1.00 0.00 H new ATOM 0 HG3 MET A 78 -10.107 -15.294 -6.098 1.00 0.00 H new ATOM 0 HE1 MET A 78 -10.519 -19.205 -8.440 1.00 0.00 H new ATOM 0 HE2 MET A 78 -9.988 -17.664 -9.156 1.00 0.00 H new ATOM 0 HE3 MET A 78 -9.022 -18.428 -7.871 1.00 0.00 H new ATOM 1276 N TYR A 79 -12.707 -14.579 -11.241 1.00 0.00 N ATOM 1277 CA TYR A 79 -13.685 -13.844 -12.023 1.00 0.00 C ATOM 1278 C TYR A 79 -15.031 -13.861 -11.293 1.00 0.00 C ATOM 1279 O TYR A 79 -15.382 -14.844 -10.633 1.00 0.00 O ATOM 1280 CB TYR A 79 -13.823 -14.491 -13.406 1.00 0.00 C ATOM 1281 CG TYR A 79 -12.687 -14.212 -14.369 1.00 0.00 C ATOM 1282 CD1 TYR A 79 -12.598 -12.954 -14.995 1.00 0.00 C ATOM 1283 CD2 TYR A 79 -11.757 -15.221 -14.686 1.00 0.00 C ATOM 1284 CE1 TYR A 79 -11.594 -12.705 -15.945 1.00 0.00 C ATOM 1285 CE2 TYR A 79 -10.764 -14.987 -15.655 1.00 0.00 C ATOM 1286 CZ TYR A 79 -10.673 -13.723 -16.284 1.00 0.00 C ATOM 1287 OH TYR A 79 -9.706 -13.470 -17.211 1.00 0.00 O ATOM 0 H TYR A 79 -12.511 -15.514 -11.599 1.00 0.00 H new ATOM 0 HA TYR A 79 -13.360 -12.811 -12.147 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -13.911 -15.570 -13.277 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -14.753 -14.147 -13.858 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -13.305 -12.177 -14.744 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -11.806 -16.176 -14.184 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -11.525 -11.736 -16.417 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -10.071 -15.772 -15.919 1.00 0.00 H new ATOM 0 HH TYR A 79 -9.152 -14.269 -17.332 1.00 0.00 H new ATOM 1297 N VAL A 80 -15.821 -12.804 -11.466 1.00 0.00 N ATOM 1298 CA VAL A 80 -17.129 -12.647 -10.843 1.00 0.00 C ATOM 1299 C VAL A 80 -18.125 -12.163 -11.897 1.00 0.00 C ATOM 1300 O VAL A 80 -17.767 -11.373 -12.773 1.00 0.00 O ATOM 1301 CB VAL A 80 -17.042 -11.691 -9.630 1.00 0.00 C ATOM 1302 CG1 VAL A 80 -16.340 -12.357 -8.438 1.00 0.00 C ATOM 1303 CG2 VAL A 80 -16.335 -10.354 -9.925 1.00 0.00 C ATOM 0 H VAL A 80 -15.561 -12.015 -12.058 1.00 0.00 H new ATOM 0 HA VAL A 80 -17.479 -13.605 -10.458 1.00 0.00 H new ATOM 0 HB VAL A 80 -18.081 -11.468 -9.389 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -16.297 -11.657 -7.604 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -16.896 -13.245 -8.138 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -15.328 -12.643 -8.725 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -16.318 -9.744 -9.022 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -15.313 -10.547 -10.252 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -16.873 -9.823 -10.710 1.00 0.00 H new ATOM 1313 N GLU A 81 -19.366 -12.643 -11.831 1.00 0.00 N ATOM 1314 CA GLU A 81 -20.459 -12.104 -12.635 1.00 0.00 C ATOM 1315 C GLU A 81 -20.859 -10.774 -12.008 1.00 0.00 C ATOM 1316 O GLU A 81 -20.865 -10.635 -10.780 1.00 0.00 O ATOM 1317 CB GLU A 81 -21.657 -13.063 -12.663 1.00 0.00 C ATOM 1318 CG GLU A 81 -21.349 -14.355 -13.427 1.00 0.00 C ATOM 1319 CD GLU A 81 -22.615 -15.205 -13.642 1.00 0.00 C ATOM 1320 OE1 GLU A 81 -23.085 -15.867 -12.689 1.00 0.00 O ATOM 1321 OE2 GLU A 81 -23.145 -15.234 -14.775 1.00 0.00 O ATOM 0 H GLU A 81 -19.640 -13.413 -11.221 1.00 0.00 H new ATOM 0 HA GLU A 81 -20.137 -11.971 -13.668 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -21.948 -13.308 -11.641 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -22.508 -12.564 -13.126 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -20.907 -14.110 -14.393 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -20.610 -14.936 -12.876 1.00 0.00 H new ATOM 1328 N VAL A 82 -21.205 -9.791 -12.834 1.00 0.00 N ATOM 1329 CA VAL A 82 -21.385 -8.428 -12.374 1.00 0.00 C ATOM 1330 C VAL A 82 -22.440 -7.736 -13.238 1.00 0.00 C ATOM 1331 O VAL A 82 -22.464 -7.921 -14.454 1.00 0.00 O ATOM 1332 CB VAL A 82 -19.991 -7.757 -12.403 1.00 0.00 C ATOM 1333 CG1 VAL A 82 -19.368 -7.652 -13.803 1.00 0.00 C ATOM 1334 CG2 VAL A 82 -20.028 -6.377 -11.772 1.00 0.00 C ATOM 0 H VAL A 82 -21.366 -9.920 -13.833 1.00 0.00 H new ATOM 0 HA VAL A 82 -21.764 -8.367 -11.354 1.00 0.00 H new ATOM 0 HB VAL A 82 -19.355 -8.423 -11.819 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -18.393 -7.170 -13.732 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -19.249 -8.650 -14.224 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -20.019 -7.061 -14.448 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -19.033 -5.933 -11.809 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -20.727 -5.745 -12.320 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -20.350 -6.460 -10.734 1.00 0.00 H new ATOM 1344 N ALA A 83 -23.307 -6.934 -12.626 1.00 0.00 N ATOM 1345 CA ALA A 83 -24.340 -6.167 -13.309 1.00 0.00 C ATOM 1346 C ALA A 83 -24.056 -4.680 -13.120 1.00 0.00 C ATOM 1347 O ALA A 83 -23.678 -4.233 -12.032 1.00 0.00 O ATOM 1348 CB ALA A 83 -25.722 -6.556 -12.780 1.00 0.00 C ATOM 0 H ALA A 83 -23.309 -6.797 -11.615 1.00 0.00 H new ATOM 0 HA ALA A 83 -24.331 -6.388 -14.376 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -26.486 -5.976 -13.298 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -25.892 -7.618 -12.954 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -25.773 -6.351 -11.711 1.00 0.00 H new ATOM 1354 N ASP A 84 -24.229 -3.914 -14.195 1.00 0.00 N ATOM 1355 CA ASP A 84 -23.821 -2.514 -14.286 1.00 0.00 C ATOM 1356 C ASP A 84 -24.908 -1.593 -13.744 1.00 0.00 C ATOM 1357 O ASP A 84 -25.545 -0.848 -14.487 1.00 0.00 O ATOM 1358 CB ASP A 84 -23.462 -2.178 -15.736 1.00 0.00 C ATOM 1359 CG ASP A 84 -23.033 -0.719 -15.914 1.00 0.00 C ATOM 1360 OD1 ASP A 84 -22.624 -0.058 -14.938 1.00 0.00 O ATOM 1361 OD2 ASP A 84 -23.049 -0.239 -17.069 1.00 0.00 O ATOM 0 H ASP A 84 -24.668 -4.259 -15.049 1.00 0.00 H new ATOM 0 HA ASP A 84 -22.937 -2.357 -13.668 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -22.656 -2.833 -16.068 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -24.321 -2.381 -16.375 1.00 0.00 H new ATOM 1366 N ILE A 85 -25.165 -1.665 -12.440 1.00 0.00 N ATOM 1367 CA ILE A 85 -26.135 -0.791 -11.772 1.00 0.00 C ATOM 1368 C ILE A 85 -25.796 0.704 -11.937 1.00 0.00 C ATOM 1369 O ILE A 85 -26.674 1.552 -11.775 1.00 0.00 O ATOM 1370 CB ILE A 85 -26.327 -1.194 -10.293 1.00 0.00 C ATOM 1371 CG1 ILE A 85 -25.063 -0.963 -9.437 1.00 0.00 C ATOM 1372 CG2 ILE A 85 -26.814 -2.654 -10.216 1.00 0.00 C ATOM 1373 CD1 ILE A 85 -25.268 -1.199 -7.934 1.00 0.00 C ATOM 0 H ILE A 85 -24.709 -2.329 -11.814 1.00 0.00 H new ATOM 0 HA ILE A 85 -27.093 -0.934 -12.272 1.00 0.00 H new ATOM 0 HB ILE A 85 -27.088 -0.542 -9.864 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -24.272 -1.623 -9.792 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -24.717 0.059 -9.589 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -26.949 -2.938 -9.172 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -27.763 -2.749 -10.744 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -26.075 -3.309 -10.677 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -24.332 -1.015 -7.406 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -26.035 -0.520 -7.560 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -25.583 -2.229 -7.767 1.00 0.00 H new ATOM 1385 N GLY A 86 -24.546 1.034 -12.283 1.00 0.00 N ATOM 1386 CA GLY A 86 -24.090 2.388 -12.560 1.00 0.00 C ATOM 1387 C GLY A 86 -24.370 2.833 -14.000 1.00 0.00 C ATOM 1388 O GLY A 86 -24.109 3.994 -14.323 1.00 0.00 O ATOM 0 H GLY A 86 -23.806 0.339 -12.379 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -24.578 3.078 -11.871 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -23.019 2.451 -12.368 1.00 0.00 H new ATOM 1392 N GLY A 87 -24.896 1.956 -14.863 1.00 0.00 N ATOM 1393 CA GLY A 87 -25.100 2.233 -16.276 1.00 0.00 C ATOM 1394 C GLY A 87 -26.246 1.401 -16.837 1.00 0.00 C ATOM 1395 O GLY A 87 -27.401 1.826 -16.752 1.00 0.00 O ATOM 0 H GLY A 87 -25.194 1.020 -14.587 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -25.314 3.293 -16.415 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -24.185 2.017 -16.828 1.00 0.00 H new ATOM 1399 N LYS A 88 -25.941 0.240 -17.433 1.00 0.00 N ATOM 1400 CA LYS A 88 -26.935 -0.558 -18.164 1.00 0.00 C ATOM 1401 C LYS A 88 -28.098 -0.996 -17.274 1.00 0.00 C ATOM 1402 O LYS A 88 -29.230 -1.038 -17.752 1.00 0.00 O ATOM 1403 CB LYS A 88 -26.293 -1.798 -18.815 1.00 0.00 C ATOM 1404 CG LYS A 88 -25.127 -1.525 -19.767 1.00 0.00 C ATOM 1405 CD LYS A 88 -25.538 -0.667 -20.970 1.00 0.00 C ATOM 1406 CE LYS A 88 -24.328 -0.437 -21.875 1.00 0.00 C ATOM 1407 NZ LYS A 88 -23.943 -1.642 -22.651 1.00 0.00 N ATOM 0 H LYS A 88 -25.007 -0.170 -17.423 1.00 0.00 H new ATOM 0 HA LYS A 88 -27.330 0.093 -18.944 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -25.943 -2.460 -18.023 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -27.065 -2.338 -19.363 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -24.328 -1.022 -19.222 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -24.723 -2.473 -20.122 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -26.333 -1.162 -21.528 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -25.936 0.289 -20.629 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -24.548 0.377 -22.565 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -23.482 -0.119 -21.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -23.107 -1.428 -23.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -23.721 -2.420 -21.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -24.731 -1.924 -23.268 1.00 0.00 H new ATOM 1421 N ASP A 89 -27.815 -1.316 -16.009 1.00 0.00 N ATOM 1422 CA ASP A 89 -28.697 -1.757 -14.917 1.00 0.00 C ATOM 1423 C ASP A 89 -29.486 -3.053 -15.157 1.00 0.00 C ATOM 1424 O ASP A 89 -29.800 -3.766 -14.205 1.00 0.00 O ATOM 1425 CB ASP A 89 -29.621 -0.611 -14.489 1.00 0.00 C ATOM 1426 CG ASP A 89 -30.508 -1.001 -13.294 1.00 0.00 C ATOM 1427 OD1 ASP A 89 -29.995 -1.078 -12.157 1.00 0.00 O ATOM 1428 OD2 ASP A 89 -31.734 -1.176 -13.479 1.00 0.00 O ATOM 0 H ASP A 89 -26.849 -1.268 -15.684 1.00 0.00 H new ATOM 0 HA ASP A 89 -28.020 -2.024 -14.106 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -29.020 0.260 -14.226 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -30.252 -0.321 -15.329 1.00 0.00 H new ATOM 1433 N ASP A 90 -29.748 -3.404 -16.413 1.00 0.00 N ATOM 1434 CA ASP A 90 -30.612 -4.507 -16.837 1.00 0.00 C ATOM 1435 C ASP A 90 -29.822 -5.552 -17.637 1.00 0.00 C ATOM 1436 O ASP A 90 -30.397 -6.451 -18.253 1.00 0.00 O ATOM 1437 CB ASP A 90 -31.753 -3.912 -17.670 1.00 0.00 C ATOM 1438 CG ASP A 90 -32.841 -4.941 -18.032 1.00 0.00 C ATOM 1439 OD1 ASP A 90 -33.403 -5.590 -17.121 1.00 0.00 O ATOM 1440 OD2 ASP A 90 -33.195 -5.057 -19.229 1.00 0.00 O ATOM 0 H ASP A 90 -29.344 -2.903 -17.204 1.00 0.00 H new ATOM 0 HA ASP A 90 -31.017 -5.024 -15.967 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -32.208 -3.091 -17.116 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -31.343 -3.489 -18.587 1.00 0.00 H new ATOM 1445 N ASP A 91 -28.491 -5.442 -17.632 1.00 0.00 N ATOM 1446 CA ASP A 91 -27.585 -6.376 -18.302 1.00 0.00 C ATOM 1447 C ASP A 91 -26.410 -6.723 -17.389 1.00 0.00 C ATOM 1448 O ASP A 91 -26.145 -6.037 -16.396 1.00 0.00 O ATOM 1449 CB ASP A 91 -27.103 -5.817 -19.651 1.00 0.00 C ATOM 1450 CG ASP A 91 -26.539 -6.893 -20.602 1.00 0.00 C ATOM 1451 OD1 ASP A 91 -26.733 -8.107 -20.363 1.00 0.00 O ATOM 1452 OD2 ASP A 91 -25.932 -6.520 -21.631 1.00 0.00 O ATOM 0 H ASP A 91 -28.004 -4.685 -17.152 1.00 0.00 H new ATOM 0 HA ASP A 91 -28.134 -7.294 -18.513 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -27.934 -5.310 -20.142 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -26.334 -5.066 -19.469 1.00 0.00 H new ATOM 1457 N VAL A 92 -25.707 -7.793 -17.743 1.00 0.00 N ATOM 1458 CA VAL A 92 -24.699 -8.453 -16.928 1.00 0.00 C ATOM 1459 C VAL A 92 -23.462 -8.776 -17.779 1.00 0.00 C ATOM 1460 O VAL A 92 -23.558 -9.025 -18.984 1.00 0.00 O ATOM 1461 CB VAL A 92 -25.364 -9.695 -16.275 1.00 0.00 C ATOM 1462 CG1 VAL A 92 -26.006 -10.657 -17.293 1.00 0.00 C ATOM 1463 CG2 VAL A 92 -24.426 -10.502 -15.368 1.00 0.00 C ATOM 0 H VAL A 92 -25.832 -8.244 -18.650 1.00 0.00 H new ATOM 0 HA VAL A 92 -24.334 -7.810 -16.127 1.00 0.00 H new ATOM 0 HB VAL A 92 -26.148 -9.254 -15.659 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -26.451 -11.501 -16.766 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -26.779 -10.131 -17.853 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -25.243 -11.021 -17.981 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -24.966 -11.352 -14.951 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -23.577 -10.861 -15.950 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -24.068 -9.867 -14.558 1.00 0.00 H new ATOM 1473 N TYR A 93 -22.304 -8.776 -17.122 1.00 0.00 N ATOM 1474 CA TYR A 93 -20.976 -9.011 -17.669 1.00 0.00 C ATOM 1475 C TYR A 93 -20.180 -9.863 -16.665 1.00 0.00 C ATOM 1476 O TYR A 93 -20.726 -10.331 -15.661 1.00 0.00 O ATOM 1477 CB TYR A 93 -20.293 -7.651 -17.920 1.00 0.00 C ATOM 1478 CG TYR A 93 -21.052 -6.734 -18.860 1.00 0.00 C ATOM 1479 CD1 TYR A 93 -20.950 -6.924 -20.251 1.00 0.00 C ATOM 1480 CD2 TYR A 93 -21.882 -5.716 -18.348 1.00 0.00 C ATOM 1481 CE1 TYR A 93 -21.674 -6.102 -21.131 1.00 0.00 C ATOM 1482 CE2 TYR A 93 -22.612 -4.893 -19.223 1.00 0.00 C ATOM 1483 CZ TYR A 93 -22.509 -5.080 -20.622 1.00 0.00 C ATOM 1484 OH TYR A 93 -23.203 -4.279 -21.479 1.00 0.00 O ATOM 0 H TYR A 93 -22.271 -8.598 -16.118 1.00 0.00 H new ATOM 0 HA TYR A 93 -21.028 -9.547 -18.617 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -20.160 -7.143 -16.965 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -19.298 -7.828 -18.329 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -20.314 -7.704 -20.643 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -21.957 -5.568 -17.281 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -21.593 -6.251 -22.198 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -23.252 -4.118 -18.828 1.00 0.00 H new ATOM 0 HH TYR A 93 -24.163 -4.370 -21.307 1.00 0.00 H new ATOM 1494 N THR A 94 -18.881 -10.034 -16.909 1.00 0.00 N ATOM 1495 CA THR A 94 -17.945 -10.672 -15.988 1.00 0.00 C ATOM 1496 C THR A 94 -16.814 -9.669 -15.720 1.00 0.00 C ATOM 1497 O THR A 94 -16.450 -8.902 -16.618 1.00 0.00 O ATOM 1498 CB THR A 94 -17.446 -11.995 -16.606 1.00 0.00 C ATOM 1499 OG1 THR A 94 -18.539 -12.788 -17.036 1.00 0.00 O ATOM 1500 CG2 THR A 94 -16.624 -12.842 -15.629 1.00 0.00 C ATOM 0 H THR A 94 -18.441 -9.724 -17.775 1.00 0.00 H new ATOM 0 HA THR A 94 -18.410 -10.931 -15.037 1.00 0.00 H new ATOM 0 HB THR A 94 -16.810 -11.705 -17.443 1.00 0.00 H new ATOM 0 HG1 THR A 94 -18.204 -13.622 -17.427 1.00 0.00 H new ATOM 0 HG21 THR A 94 -16.303 -13.759 -16.124 1.00 0.00 H new ATOM 0 HG22 THR A 94 -15.749 -12.278 -15.306 1.00 0.00 H new ATOM 0 HG23 THR A 94 -17.235 -13.093 -14.762 1.00 0.00 H new ATOM 1508 N ALA A 95 -16.257 -9.673 -14.506 1.00 0.00 N ATOM 1509 CA ALA A 95 -15.154 -8.810 -14.098 1.00 0.00 C ATOM 1510 C ALA A 95 -14.125 -9.607 -13.308 1.00 0.00 C ATOM 1511 O ALA A 95 -14.422 -10.665 -12.753 1.00 0.00 O ATOM 1512 CB ALA A 95 -15.668 -7.641 -13.250 1.00 0.00 C ATOM 0 H ALA A 95 -16.572 -10.295 -13.762 1.00 0.00 H new ATOM 0 HA ALA A 95 -14.683 -8.410 -14.996 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -14.830 -7.009 -12.956 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -16.378 -7.054 -13.832 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -16.162 -8.028 -12.358 1.00 0.00 H new ATOM 1518 N LYS A 96 -12.908 -9.071 -13.252 1.00 0.00 N ATOM 1519 CA LYS A 96 -11.820 -9.613 -12.450 1.00 0.00 C ATOM 1520 C LYS A 96 -12.044 -9.074 -11.043 1.00 0.00 C ATOM 1521 O LYS A 96 -12.141 -7.854 -10.885 1.00 0.00 O ATOM 1522 CB LYS A 96 -10.468 -9.123 -13.005 1.00 0.00 C ATOM 1523 CG LYS A 96 -10.246 -9.378 -14.515 1.00 0.00 C ATOM 1524 CD LYS A 96 -9.502 -8.224 -15.209 1.00 0.00 C ATOM 1525 CE LYS A 96 -10.334 -6.924 -15.248 1.00 0.00 C ATOM 1526 NZ LYS A 96 -9.554 -5.770 -15.763 1.00 0.00 N ATOM 0 H LYS A 96 -12.648 -8.233 -13.773 1.00 0.00 H new ATOM 0 HA LYS A 96 -11.802 -10.703 -12.463 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -10.382 -8.053 -12.817 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -9.667 -9.610 -12.449 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -9.679 -10.300 -14.644 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -11.211 -9.527 -15.000 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -8.563 -8.036 -14.688 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -9.248 -8.520 -16.227 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -11.212 -7.076 -15.876 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -10.696 -6.697 -14.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -9.694 -4.950 -15.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -8.544 -6.017 -15.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -9.877 -5.534 -16.723 1.00 0.00 H new ATOM 1540 N LEU A 97 -12.119 -9.923 -10.017 1.00 0.00 N ATOM 1541 CA LEU A 97 -12.326 -9.450 -8.646 1.00 0.00 C ATOM 1542 C LEU A 97 -11.186 -8.525 -8.198 1.00 0.00 C ATOM 1543 O LEU A 97 -11.403 -7.621 -7.397 1.00 0.00 O ATOM 1544 CB LEU A 97 -12.480 -10.660 -7.711 1.00 0.00 C ATOM 1545 CG LEU A 97 -12.717 -10.331 -6.226 1.00 0.00 C ATOM 1546 CD1 LEU A 97 -14.003 -9.522 -6.007 1.00 0.00 C ATOM 1547 CD2 LEU A 97 -12.791 -11.652 -5.453 1.00 0.00 C ATOM 0 H LEU A 97 -12.040 -10.936 -10.107 1.00 0.00 H new ATOM 0 HA LEU A 97 -13.240 -8.858 -8.604 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -13.312 -11.267 -8.067 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -11.582 -11.273 -7.789 1.00 0.00 H new ATOM 0 HG LEU A 97 -11.893 -9.713 -5.869 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -14.126 -9.315 -4.944 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -13.939 -8.582 -6.555 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -14.858 -10.094 -6.366 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -12.959 -11.446 -4.396 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -13.613 -12.255 -5.840 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -11.854 -12.196 -5.572 1.00 0.00 H new ATOM 1559 N SER A 98 -9.974 -8.718 -8.728 1.00 0.00 N ATOM 1560 CA SER A 98 -8.810 -7.871 -8.485 1.00 0.00 C ATOM 1561 C SER A 98 -9.011 -6.424 -8.960 1.00 0.00 C ATOM 1562 O SER A 98 -8.310 -5.529 -8.486 1.00 0.00 O ATOM 1563 CB SER A 98 -7.600 -8.501 -9.190 1.00 0.00 C ATOM 1564 OG SER A 98 -7.988 -9.052 -10.439 1.00 0.00 O ATOM 0 H SER A 98 -9.773 -9.495 -9.358 1.00 0.00 H new ATOM 0 HA SER A 98 -8.649 -7.815 -7.408 1.00 0.00 H new ATOM 0 HB2 SER A 98 -6.827 -7.748 -9.342 1.00 0.00 H new ATOM 0 HB3 SER A 98 -7.168 -9.279 -8.560 1.00 0.00 H new ATOM 0 HG SER A 98 -7.207 -9.449 -10.878 1.00 0.00 H new ATOM 1570 N ASP A 99 -9.954 -6.177 -9.877 1.00 0.00 N ATOM 1571 CA ASP A 99 -10.172 -4.867 -10.500 1.00 0.00 C ATOM 1572 C ASP A 99 -11.405 -4.167 -9.912 1.00 0.00 C ATOM 1573 O ASP A 99 -11.870 -3.142 -10.412 1.00 0.00 O ATOM 1574 CB ASP A 99 -10.251 -5.058 -12.024 1.00 0.00 C ATOM 1575 CG ASP A 99 -9.958 -3.797 -12.852 1.00 0.00 C ATOM 1576 OD1 ASP A 99 -9.196 -2.915 -12.401 1.00 0.00 O ATOM 1577 OD2 ASP A 99 -10.401 -3.770 -14.026 1.00 0.00 O ATOM 0 H ASP A 99 -10.597 -6.894 -10.212 1.00 0.00 H new ATOM 0 HA ASP A 99 -9.336 -4.202 -10.283 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -9.546 -5.837 -12.315 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -11.248 -5.418 -12.279 1.00 0.00 H new ATOM 1582 N ILE A 100 -11.926 -4.722 -8.818 1.00 0.00 N ATOM 1583 CA ILE A 100 -13.110 -4.261 -8.108 1.00 0.00 C ATOM 1584 C ILE A 100 -12.721 -3.903 -6.676 1.00 0.00 C ATOM 1585 O ILE A 100 -11.770 -4.432 -6.096 1.00 0.00 O ATOM 1586 CB ILE A 100 -14.234 -5.331 -8.221 1.00 0.00 C ATOM 1587 CG1 ILE A 100 -15.092 -4.991 -9.458 1.00 0.00 C ATOM 1588 CG2 ILE A 100 -15.140 -5.501 -6.981 1.00 0.00 C ATOM 1589 CD1 ILE A 100 -16.105 -6.071 -9.839 1.00 0.00 C ATOM 0 H ILE A 100 -11.510 -5.546 -8.385 1.00 0.00 H new ATOM 0 HA ILE A 100 -13.518 -3.353 -8.553 1.00 0.00 H new ATOM 0 HB ILE A 100 -13.728 -6.292 -8.310 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -15.626 -4.059 -9.270 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -14.431 -4.814 -10.306 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -15.884 -6.273 -7.177 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -14.533 -5.792 -6.124 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -15.643 -4.558 -6.766 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -16.665 -5.751 -10.718 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -15.580 -7.000 -10.062 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -16.793 -6.233 -9.009 1.00 0.00 H new ATOM 1601 N GLU A 101 -13.523 -3.009 -6.117 1.00 0.00 N ATOM 1602 CA GLU A 101 -13.487 -2.575 -4.733 1.00 0.00 C ATOM 1603 C GLU A 101 -14.863 -2.903 -4.165 1.00 0.00 C ATOM 1604 O GLU A 101 -15.870 -2.412 -4.674 1.00 0.00 O ATOM 1605 CB GLU A 101 -13.164 -1.075 -4.689 1.00 0.00 C ATOM 1606 CG GLU A 101 -13.244 -0.499 -3.269 1.00 0.00 C ATOM 1607 CD GLU A 101 -12.641 0.917 -3.187 1.00 0.00 C ATOM 1608 OE1 GLU A 101 -13.017 1.803 -3.989 1.00 0.00 O ATOM 1609 OE2 GLU A 101 -11.785 1.157 -2.305 1.00 0.00 O ATOM 0 H GLU A 101 -14.257 -2.542 -6.649 1.00 0.00 H new ATOM 0 HA GLU A 101 -12.718 -3.071 -4.141 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -12.164 -0.910 -5.089 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -13.858 -0.538 -5.335 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -14.285 -0.469 -2.948 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -12.717 -1.158 -2.580 1.00 0.00 H new ATOM 1616 N ALA A 102 -14.915 -3.775 -3.159 1.00 0.00 N ATOM 1617 CA ALA A 102 -16.170 -4.220 -2.579 1.00 0.00 C ATOM 1618 C ALA A 102 -16.724 -3.128 -1.667 1.00 0.00 C ATOM 1619 O ALA A 102 -15.981 -2.507 -0.903 1.00 0.00 O ATOM 1620 CB ALA A 102 -15.931 -5.506 -1.791 1.00 0.00 C ATOM 0 H ALA A 102 -14.088 -4.189 -2.728 1.00 0.00 H new ATOM 0 HA ALA A 102 -16.896 -4.418 -3.367 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -16.870 -5.844 -1.353 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -15.544 -6.275 -2.459 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -15.208 -5.317 -0.997 1.00 0.00 H new ATOM 1626 N ILE A 103 -18.038 -2.932 -1.729 1.00 0.00 N ATOM 1627 CA ILE A 103 -18.773 -1.933 -0.961 1.00 0.00 C ATOM 1628 C ILE A 103 -19.956 -2.642 -0.284 1.00 0.00 C ATOM 1629 O ILE A 103 -20.572 -3.536 -0.865 1.00 0.00 O ATOM 1630 CB ILE A 103 -19.187 -0.791 -1.923 1.00 0.00 C ATOM 1631 CG1 ILE A 103 -17.940 -0.007 -2.399 1.00 0.00 C ATOM 1632 CG2 ILE A 103 -20.212 0.175 -1.300 1.00 0.00 C ATOM 1633 CD1 ILE A 103 -18.218 0.956 -3.555 1.00 0.00 C ATOM 0 H ILE A 103 -18.642 -3.485 -2.338 1.00 0.00 H new ATOM 0 HA ILE A 103 -18.177 -1.476 -0.171 1.00 0.00 H new ATOM 0 HB ILE A 103 -19.672 -1.263 -2.778 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -17.535 0.557 -1.559 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -17.172 -0.717 -2.707 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -20.463 0.953 -2.021 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -21.114 -0.375 -1.031 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -19.785 0.632 -0.407 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -17.296 1.468 -3.832 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -18.594 0.397 -4.412 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -18.962 1.690 -3.246 1.00 0.00 H new ATOM 1645 N ASP A 104 -20.278 -2.223 0.946 1.00 0.00 N ATOM 1646 CA ASP A 104 -21.414 -2.707 1.748 1.00 0.00 C ATOM 1647 C ASP A 104 -21.412 -4.232 1.979 1.00 0.00 C ATOM 1648 O ASP A 104 -22.449 -4.848 2.234 1.00 0.00 O ATOM 1649 CB ASP A 104 -22.736 -2.165 1.172 1.00 0.00 C ATOM 1650 CG ASP A 104 -23.934 -2.383 2.115 1.00 0.00 C ATOM 1651 OD1 ASP A 104 -23.852 -2.018 3.311 1.00 0.00 O ATOM 1652 OD2 ASP A 104 -24.998 -2.855 1.651 1.00 0.00 O ATOM 0 H ASP A 104 -19.734 -1.509 1.431 1.00 0.00 H new ATOM 0 HA ASP A 104 -21.302 -2.304 2.754 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -22.629 -1.099 0.970 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -22.938 -2.652 0.218 1.00 0.00 H new ATOM 1657 N VAL A 105 -20.237 -4.860 1.886 1.00 0.00 N ATOM 1658 CA VAL A 105 -20.046 -6.282 2.159 1.00 0.00 C ATOM 1659 C VAL A 105 -19.967 -6.563 3.662 1.00 0.00 C ATOM 1660 O VAL A 105 -19.767 -5.660 4.481 1.00 0.00 O ATOM 1661 CB VAL A 105 -18.777 -6.804 1.452 1.00 0.00 C ATOM 1662 CG1 VAL A 105 -19.104 -7.105 -0.006 1.00 0.00 C ATOM 1663 CG2 VAL A 105 -17.562 -5.871 1.544 1.00 0.00 C ATOM 0 H VAL A 105 -19.377 -4.383 1.614 1.00 0.00 H new ATOM 0 HA VAL A 105 -20.914 -6.810 1.765 1.00 0.00 H new ATOM 0 HB VAL A 105 -18.481 -7.709 1.982 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -18.211 -7.474 -0.510 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -19.887 -7.862 -0.055 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -19.448 -6.195 -0.497 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -16.718 -6.320 1.020 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -17.805 -4.912 1.087 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -17.299 -5.718 2.591 1.00 0.00 H new ATOM 1673 N ASP A 106 -20.115 -7.844 4.006 1.00 0.00 N ATOM 1674 CA ASP A 106 -19.841 -8.341 5.353 1.00 0.00 C ATOM 1675 C ASP A 106 -18.327 -8.323 5.575 1.00 0.00 C ATOM 1676 O ASP A 106 -17.555 -8.384 4.615 1.00 0.00 O ATOM 1677 CB ASP A 106 -20.368 -9.770 5.519 1.00 0.00 C ATOM 1678 CG ASP A 106 -20.094 -10.310 6.931 1.00 0.00 C ATOM 1679 OD1 ASP A 106 -20.794 -9.894 7.881 1.00 0.00 O ATOM 1680 OD2 ASP A 106 -19.162 -11.127 7.094 1.00 0.00 O ATOM 0 H ASP A 106 -20.429 -8.566 3.357 1.00 0.00 H new ATOM 0 HA ASP A 106 -20.342 -7.706 6.084 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -21.440 -9.789 5.323 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -19.897 -10.421 4.782 1.00 0.00 H new ATOM 1685 N ASP A 107 -17.895 -8.281 6.832 1.00 0.00 N ATOM 1686 CA ASP A 107 -16.480 -8.279 7.200 1.00 0.00 C ATOM 1687 C ASP A 107 -15.746 -9.493 6.638 1.00 0.00 C ATOM 1688 O ASP A 107 -14.677 -9.328 6.061 1.00 0.00 O ATOM 1689 CB ASP A 107 -16.339 -8.236 8.724 1.00 0.00 C ATOM 1690 CG ASP A 107 -14.862 -8.295 9.147 1.00 0.00 C ATOM 1691 OD1 ASP A 107 -14.151 -7.274 9.008 1.00 0.00 O ATOM 1692 OD2 ASP A 107 -14.423 -9.340 9.678 1.00 0.00 O ATOM 0 H ASP A 107 -18.524 -8.247 7.634 1.00 0.00 H new ATOM 0 HA ASP A 107 -16.023 -7.390 6.766 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -16.794 -7.323 9.108 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -16.880 -9.073 9.166 1.00 0.00 H new ATOM 1697 N ASP A 108 -16.315 -10.698 6.729 1.00 0.00 N ATOM 1698 CA ASP A 108 -15.617 -11.905 6.277 1.00 0.00 C ATOM 1699 C ASP A 108 -15.564 -11.966 4.746 1.00 0.00 C ATOM 1700 O ASP A 108 -14.626 -12.514 4.169 1.00 0.00 O ATOM 1701 CB ASP A 108 -16.290 -13.162 6.845 1.00 0.00 C ATOM 1702 CG ASP A 108 -15.382 -14.407 6.824 1.00 0.00 C ATOM 1703 OD1 ASP A 108 -14.142 -14.291 6.949 1.00 0.00 O ATOM 1704 OD2 ASP A 108 -15.927 -15.533 6.791 1.00 0.00 O ATOM 0 H ASP A 108 -17.248 -10.864 7.107 1.00 0.00 H new ATOM 0 HA ASP A 108 -14.593 -11.864 6.649 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -16.601 -12.966 7.871 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -17.194 -13.371 6.272 1.00 0.00 H new ATOM 1709 N THR A 109 -16.549 -11.353 4.082 1.00 0.00 N ATOM 1710 CA THR A 109 -16.570 -11.199 2.633 1.00 0.00 C ATOM 1711 C THR A 109 -15.473 -10.211 2.223 1.00 0.00 C ATOM 1712 O THR A 109 -14.651 -10.541 1.367 1.00 0.00 O ATOM 1713 CB THR A 109 -17.988 -10.759 2.232 1.00 0.00 C ATOM 1714 OG1 THR A 109 -18.876 -11.812 2.527 1.00 0.00 O ATOM 1715 CG2 THR A 109 -18.214 -10.432 0.759 1.00 0.00 C ATOM 0 H THR A 109 -17.362 -10.947 4.546 1.00 0.00 H new ATOM 0 HA THR A 109 -16.354 -12.129 2.108 1.00 0.00 H new ATOM 0 HB THR A 109 -18.150 -9.837 2.790 1.00 0.00 H new ATOM 0 HG1 THR A 109 -18.375 -12.651 2.603 1.00 0.00 H new ATOM 0 HG21 THR A 109 -19.252 -10.136 0.607 1.00 0.00 H new ATOM 0 HG22 THR A 109 -17.556 -9.615 0.463 1.00 0.00 H new ATOM 0 HG23 THR A 109 -17.995 -11.311 0.153 1.00 0.00 H new ATOM 1723 N GLN A 110 -15.400 -9.035 2.860 1.00 0.00 N ATOM 1724 CA GLN A 110 -14.368 -8.046 2.582 1.00 0.00 C ATOM 1725 C GLN A 110 -12.986 -8.662 2.809 1.00 0.00 C ATOM 1726 O GLN A 110 -12.117 -8.533 1.952 1.00 0.00 O ATOM 1727 CB GLN A 110 -14.588 -6.797 3.460 1.00 0.00 C ATOM 1728 CG GLN A 110 -14.043 -5.504 2.829 1.00 0.00 C ATOM 1729 CD GLN A 110 -12.517 -5.475 2.707 1.00 0.00 C ATOM 1730 OE1 GLN A 110 -11.798 -5.463 3.702 1.00 0.00 O ATOM 1731 NE2 GLN A 110 -11.986 -5.454 1.493 1.00 0.00 N ATOM 0 H GLN A 110 -16.060 -8.749 3.583 1.00 0.00 H new ATOM 0 HA GLN A 110 -14.428 -7.734 1.539 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -15.655 -6.678 3.650 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -14.108 -6.952 4.426 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -14.480 -5.381 1.838 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -14.367 -4.653 3.428 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -12.591 -5.464 0.672 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -10.973 -5.428 1.380 1.00 0.00 H new ATOM 1740 N GLU A 111 -12.787 -9.371 3.920 1.00 0.00 N ATOM 1741 CA GLU A 111 -11.506 -9.972 4.264 1.00 0.00 C ATOM 1742 C GLU A 111 -11.096 -11.033 3.236 1.00 0.00 C ATOM 1743 O GLU A 111 -9.914 -11.121 2.907 1.00 0.00 O ATOM 1744 CB GLU A 111 -11.575 -10.568 5.679 1.00 0.00 C ATOM 1745 CG GLU A 111 -11.573 -9.499 6.787 1.00 0.00 C ATOM 1746 CD GLU A 111 -10.174 -8.894 7.009 1.00 0.00 C ATOM 1747 OE1 GLU A 111 -9.383 -9.459 7.799 1.00 0.00 O ATOM 1748 OE2 GLU A 111 -9.854 -7.841 6.415 1.00 0.00 O ATOM 0 H GLU A 111 -13.518 -9.544 4.610 1.00 0.00 H new ATOM 0 HA GLU A 111 -10.741 -9.196 4.248 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -12.477 -11.173 5.768 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -10.727 -11.237 5.827 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -12.273 -8.705 6.525 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -11.927 -9.942 7.718 1.00 0.00 H new ATOM 1755 N ALA A 112 -12.038 -11.809 2.686 1.00 0.00 N ATOM 1756 CA ALA A 112 -11.719 -12.796 1.659 1.00 0.00 C ATOM 1757 C ALA A 112 -11.254 -12.104 0.373 1.00 0.00 C ATOM 1758 O ALA A 112 -10.263 -12.516 -0.231 1.00 0.00 O ATOM 1759 CB ALA A 112 -12.936 -13.686 1.389 1.00 0.00 C ATOM 0 H ALA A 112 -13.026 -11.769 2.938 1.00 0.00 H new ATOM 0 HA ALA A 112 -10.903 -13.424 2.017 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -12.688 -14.419 0.621 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -13.219 -14.203 2.306 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -13.768 -13.071 1.047 1.00 0.00 H new ATOM 1765 N ILE A 113 -11.944 -11.033 -0.027 1.00 0.00 N ATOM 1766 CA ILE A 113 -11.593 -10.248 -1.208 1.00 0.00 C ATOM 1767 C ILE A 113 -10.220 -9.596 -0.984 1.00 0.00 C ATOM 1768 O ILE A 113 -9.374 -9.625 -1.879 1.00 0.00 O ATOM 1769 CB ILE A 113 -12.719 -9.224 -1.498 1.00 0.00 C ATOM 1770 CG1 ILE A 113 -14.043 -9.959 -1.820 1.00 0.00 C ATOM 1771 CG2 ILE A 113 -12.341 -8.283 -2.657 1.00 0.00 C ATOM 1772 CD1 ILE A 113 -15.277 -9.054 -1.820 1.00 0.00 C ATOM 0 H ILE A 113 -12.767 -10.686 0.465 1.00 0.00 H new ATOM 0 HA ILE A 113 -11.508 -10.880 -2.092 1.00 0.00 H new ATOM 0 HB ILE A 113 -12.854 -8.617 -0.603 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -13.954 -10.434 -2.797 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -14.190 -10.756 -1.091 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -13.153 -7.578 -2.833 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -11.434 -7.735 -2.400 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -12.167 -8.869 -3.559 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -16.162 -9.646 -2.054 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -15.394 -8.599 -0.837 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -15.155 -8.272 -2.569 1.00 0.00 H new ATOM 1784 N ALA A 114 -9.976 -9.048 0.211 1.00 0.00 N ATOM 1785 CA ALA A 114 -8.707 -8.440 0.575 1.00 0.00 C ATOM 1786 C ALA A 114 -7.579 -9.468 0.512 1.00 0.00 C ATOM 1787 O ALA A 114 -6.503 -9.153 0.022 1.00 0.00 O ATOM 1788 CB ALA A 114 -8.797 -7.826 1.975 1.00 0.00 C ATOM 0 H ALA A 114 -10.669 -9.018 0.958 1.00 0.00 H new ATOM 0 HA ALA A 114 -8.485 -7.647 -0.140 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -7.840 -7.374 2.236 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -9.575 -7.063 1.988 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -9.040 -8.604 2.699 1.00 0.00 H new ATOM 1794 N ASP A 115 -7.812 -10.699 0.965 1.00 0.00 N ATOM 1795 CA ASP A 115 -6.791 -11.744 0.948 1.00 0.00 C ATOM 1796 C ASP A 115 -6.451 -12.177 -0.481 1.00 0.00 C ATOM 1797 O ASP A 115 -5.274 -12.337 -0.812 1.00 0.00 O ATOM 1798 CB ASP A 115 -7.245 -12.942 1.778 1.00 0.00 C ATOM 1799 CG ASP A 115 -6.140 -14.001 1.823 1.00 0.00 C ATOM 1800 OD1 ASP A 115 -5.193 -13.861 2.626 1.00 0.00 O ATOM 1801 OD2 ASP A 115 -6.255 -15.026 1.123 1.00 0.00 O ATOM 0 H ASP A 115 -8.707 -10.998 1.351 1.00 0.00 H new ATOM 0 HA ASP A 115 -5.884 -11.331 1.390 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -7.492 -12.620 2.790 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -8.151 -13.369 1.349 1.00 0.00 H new ATOM 1806 N TRP A 116 -7.461 -12.286 -1.353 1.00 0.00 N ATOM 1807 CA TRP A 116 -7.263 -12.493 -2.785 1.00 0.00 C ATOM 1808 C TRP A 116 -6.419 -11.355 -3.380 1.00 0.00 C ATOM 1809 O TRP A 116 -5.477 -11.612 -4.134 1.00 0.00 O ATOM 1810 CB TRP A 116 -8.633 -12.633 -3.479 1.00 0.00 C ATOM 1811 CG TRP A 116 -8.700 -12.138 -4.892 1.00 0.00 C ATOM 1812 CD1 TRP A 116 -9.199 -10.941 -5.268 1.00 0.00 C ATOM 1813 CD2 TRP A 116 -8.178 -12.745 -6.115 1.00 0.00 C ATOM 1814 NE1 TRP A 116 -9.022 -10.772 -6.624 1.00 0.00 N ATOM 1815 CE2 TRP A 116 -8.383 -11.845 -7.200 1.00 0.00 C ATOM 1816 CE3 TRP A 116 -7.536 -13.960 -6.418 1.00 0.00 C ATOM 1817 CZ2 TRP A 116 -7.962 -12.130 -8.508 1.00 0.00 C ATOM 1818 CZ3 TRP A 116 -7.076 -14.246 -7.718 1.00 0.00 C ATOM 1819 CH2 TRP A 116 -7.281 -13.330 -8.761 1.00 0.00 C ATOM 0 H TRP A 116 -8.442 -12.232 -1.079 1.00 0.00 H new ATOM 0 HA TRP A 116 -6.709 -13.417 -2.952 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -8.919 -13.685 -3.468 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -9.375 -12.095 -2.889 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -9.665 -10.226 -4.607 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -9.329 -9.948 -7.140 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -7.393 -14.690 -5.635 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -8.160 -11.434 -9.310 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -6.562 -15.176 -7.913 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -6.916 -13.548 -9.754 1.00 0.00 H new ATOM 1830 N LEU A 117 -6.719 -10.101 -3.022 1.00 0.00 N ATOM 1831 CA LEU A 117 -5.947 -8.952 -3.479 1.00 0.00 C ATOM 1832 C LEU A 117 -4.507 -9.052 -2.963 1.00 0.00 C ATOM 1833 O LEU A 117 -3.584 -8.847 -3.745 1.00 0.00 O ATOM 1834 CB LEU A 117 -6.602 -7.636 -3.018 1.00 0.00 C ATOM 1835 CG LEU A 117 -7.858 -7.253 -3.823 1.00 0.00 C ATOM 1836 CD1 LEU A 117 -8.706 -6.243 -3.042 1.00 0.00 C ATOM 1837 CD2 LEU A 117 -7.481 -6.648 -5.180 1.00 0.00 C ATOM 0 H LEU A 117 -7.500 -9.861 -2.411 1.00 0.00 H new ATOM 0 HA LEU A 117 -5.929 -8.953 -4.569 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -6.869 -7.723 -1.965 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -5.872 -6.830 -3.096 1.00 0.00 H new ATOM 0 HG LEU A 117 -8.433 -8.164 -3.989 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -9.590 -5.983 -3.624 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -9.013 -6.683 -2.093 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -8.119 -5.345 -2.852 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -8.387 -6.387 -5.726 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -6.880 -5.752 -5.025 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -6.907 -7.374 -5.755 1.00 0.00 H new ATOM 1849 N TYR A 118 -4.292 -9.386 -1.685 1.00 0.00 N ATOM 1850 CA TYR A 118 -2.964 -9.453 -1.077 1.00 0.00 C ATOM 1851 C TYR A 118 -2.099 -10.526 -1.735 1.00 0.00 C ATOM 1852 O TYR A 118 -0.921 -10.272 -1.983 1.00 0.00 O ATOM 1853 CB TYR A 118 -3.050 -9.713 0.438 1.00 0.00 C ATOM 1854 CG TYR A 118 -3.736 -8.661 1.301 1.00 0.00 C ATOM 1855 CD1 TYR A 118 -3.717 -7.291 0.960 1.00 0.00 C ATOM 1856 CD2 TYR A 118 -4.382 -9.068 2.487 1.00 0.00 C ATOM 1857 CE1 TYR A 118 -4.360 -6.344 1.778 1.00 0.00 C ATOM 1858 CE2 TYR A 118 -5.029 -8.128 3.308 1.00 0.00 C ATOM 1859 CZ TYR A 118 -5.024 -6.760 2.955 1.00 0.00 C ATOM 1860 OH TYR A 118 -5.654 -5.856 3.758 1.00 0.00 O ATOM 0 H TYR A 118 -5.046 -9.619 -1.039 1.00 0.00 H new ATOM 0 HA TYR A 118 -2.496 -8.482 -1.239 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -3.570 -10.659 0.587 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -2.035 -9.845 0.813 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -3.206 -6.968 0.065 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -4.380 -10.111 2.767 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -4.346 -5.299 1.507 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -5.530 -8.452 4.208 1.00 0.00 H new ATOM 0 HH TYR A 118 -6.057 -6.321 4.521 1.00 0.00 H new ATOM 1870 N TRP A 119 -2.664 -11.695 -2.060 1.00 0.00 N ATOM 1871 CA TRP A 119 -2.018 -12.708 -2.869 1.00 0.00 C ATOM 1872 C TRP A 119 -1.520 -12.047 -4.140 1.00 0.00 C ATOM 1873 O TRP A 119 -0.318 -11.957 -4.373 1.00 0.00 O ATOM 1874 CB TRP A 119 -3.035 -13.840 -3.152 1.00 0.00 C ATOM 1875 CG TRP A 119 -2.762 -14.755 -4.312 1.00 0.00 C ATOM 1876 CD1 TRP A 119 -1.573 -14.889 -4.923 1.00 0.00 C ATOM 1877 CD2 TRP A 119 -3.661 -15.617 -5.077 1.00 0.00 C ATOM 1878 NE1 TRP A 119 -1.617 -15.870 -5.881 1.00 0.00 N ATOM 1879 CE2 TRP A 119 -2.883 -16.399 -5.979 1.00 0.00 C ATOM 1880 CE3 TRP A 119 -5.052 -15.829 -5.107 1.00 0.00 C ATOM 1881 CZ2 TRP A 119 -3.433 -17.439 -6.737 1.00 0.00 C ATOM 1882 CZ3 TRP A 119 -5.630 -16.815 -5.930 1.00 0.00 C ATOM 1883 CH2 TRP A 119 -4.822 -17.646 -6.722 1.00 0.00 C ATOM 0 H TRP A 119 -3.602 -11.958 -1.757 1.00 0.00 H new ATOM 0 HA TRP A 119 -1.164 -13.153 -2.359 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -3.113 -14.452 -2.254 1.00 0.00 H new ATOM 0 HB3 TRP A 119 -4.011 -13.381 -3.310 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -0.697 -14.301 -4.690 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -0.820 -16.167 -6.444 1.00 0.00 H new ATOM 0 HE3 TRP A 119 -5.691 -15.221 -4.484 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -2.794 -18.078 -7.329 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -6.703 -16.933 -5.952 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -5.263 -18.435 -7.313 1.00 0.00 H new ATOM 1894 N LEU A 120 -2.449 -11.583 -4.955 1.00 0.00 N ATOM 1895 CA LEU A 120 -2.132 -11.134 -6.297 1.00 0.00 C ATOM 1896 C LEU A 120 -1.147 -9.962 -6.287 1.00 0.00 C ATOM 1897 O LEU A 120 -0.313 -9.846 -7.183 1.00 0.00 O ATOM 1898 CB LEU A 120 -3.429 -10.795 -7.042 1.00 0.00 C ATOM 1899 CG LEU A 120 -3.250 -10.922 -8.564 1.00 0.00 C ATOM 1900 CD1 LEU A 120 -3.089 -12.395 -8.978 1.00 0.00 C ATOM 1901 CD2 LEU A 120 -4.469 -10.312 -9.259 1.00 0.00 C ATOM 0 H LEU A 120 -3.436 -11.507 -4.708 1.00 0.00 H new ATOM 0 HA LEU A 120 -1.630 -11.942 -6.829 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -4.226 -11.461 -6.711 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -3.739 -9.780 -6.794 1.00 0.00 H new ATOM 0 HG LEU A 120 -2.347 -10.390 -8.862 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -2.964 -12.458 -10.059 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -2.213 -12.817 -8.486 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -3.976 -12.955 -8.682 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -4.352 -10.397 -10.339 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -5.369 -10.843 -8.948 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -4.556 -9.261 -8.985 1.00 0.00 H new ATOM 1913 N ALA A 121 -1.209 -9.133 -5.245 1.00 0.00 N ATOM 1914 CA ALA A 121 -0.305 -8.024 -5.013 1.00 0.00 C ATOM 1915 C ALA A 121 1.114 -8.476 -4.646 1.00 0.00 C ATOM 1916 O ALA A 121 2.080 -7.789 -4.983 1.00 0.00 O ATOM 1917 CB ALA A 121 -0.904 -7.168 -3.897 1.00 0.00 C ATOM 0 H ALA A 121 -1.918 -9.225 -4.518 1.00 0.00 H new ATOM 0 HA ALA A 121 -0.202 -7.454 -5.936 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -0.248 -6.321 -3.696 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -1.884 -6.802 -4.205 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -1.009 -7.769 -2.994 1.00 0.00 H new