USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=21 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 68 MET CE :methyl -172:sc= -0.71 (180deg=-0.8) USER MOD Set 1.2: A 74 CYS SG : rot 79:sc= 0.279 USER MOD Set 2.1: A 47 LYS NZ :NH3+ 157:sc= 1.06 (180deg=0) USER MOD Set 2.2: A 62 THR OG1 : rot 180:sc= 0.91 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl 146:sc= -0.885 (180deg=-2.37!) USER MOD Single : A 33 TYR OH : rot -171:sc= 1.16 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 20:sc= 0.81 USER MOD Single : A 39 THR OG1 : rot 94:sc= 1.29 USER MOD Single : A 45 MET CE :methyl -154:sc= -0.0542 (180deg=-0.545) USER MOD Single : A 49 LYS NZ :NH3+ 174:sc= 2.52 (180deg=2.26) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 166:sc= 0.383 (180deg=-0.063) USER MOD Single : A 76 LYS NZ :NH3+ -174:sc= 0.728 (180deg=0.698) USER MOD Single : A 78 MET CE :methyl 174:sc= -0.0334 (180deg=-0.0575) USER MOD Single : A 79 TYR OH : rot 120:sc= -0.38 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 150:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ -158:sc= 1.1 (180deg=0.745) USER MOD Single : A 98 SER OG : rot 157:sc= 2.08 USER MOD Single : A 109 THR OG1 : rot -39:sc= 0.614 USER MOD Single : A 110 GLN : amide:sc= -0.262 X(o=-0.26,f=-0.26) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 346 N ALA A 22 -4.300 -30.137 -5.037 1.00 0.00 N ATOM 347 CA ALA A 22 -3.954 -29.485 -6.290 1.00 0.00 C ATOM 348 C ALA A 22 -2.459 -29.176 -6.293 1.00 0.00 C ATOM 349 O ALA A 22 -1.914 -28.730 -5.281 1.00 0.00 O ATOM 350 CB ALA A 22 -4.788 -28.205 -6.402 1.00 0.00 C ATOM 0 HA ALA A 22 -4.168 -30.126 -7.145 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -4.548 -27.695 -7.335 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.848 -28.459 -6.390 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.562 -27.549 -5.561 1.00 0.00 H new ATOM 356 N GLU A 23 -1.794 -29.366 -7.430 1.00 0.00 N ATOM 357 CA GLU A 23 -0.334 -29.321 -7.540 1.00 0.00 C ATOM 358 C GLU A 23 0.119 -28.511 -8.767 1.00 0.00 C ATOM 359 O GLU A 23 1.321 -28.380 -9.009 1.00 0.00 O ATOM 360 CB GLU A 23 0.224 -30.758 -7.583 1.00 0.00 C ATOM 361 CG GLU A 23 -0.041 -31.550 -6.293 1.00 0.00 C ATOM 362 CD GLU A 23 0.647 -32.926 -6.328 1.00 0.00 C ATOM 363 OE1 GLU A 23 0.037 -33.911 -6.805 1.00 0.00 O ATOM 364 OE2 GLU A 23 1.803 -33.048 -5.860 1.00 0.00 O ATOM 0 H GLU A 23 -2.260 -29.559 -8.317 1.00 0.00 H new ATOM 0 HA GLU A 23 0.064 -28.811 -6.663 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.221 -31.288 -8.425 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.298 -30.718 -7.763 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.320 -30.983 -5.435 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.115 -31.682 -6.159 1.00 0.00 H new ATOM 371 N ASP A 24 -0.818 -27.935 -9.525 1.00 0.00 N ATOM 372 CA ASP A 24 -0.551 -27.101 -10.697 1.00 0.00 C ATOM 373 C ASP A 24 -1.465 -25.880 -10.647 1.00 0.00 C ATOM 374 O ASP A 24 -2.566 -25.958 -10.098 1.00 0.00 O ATOM 375 CB ASP A 24 -0.798 -27.909 -11.979 1.00 0.00 C ATOM 376 CG ASP A 24 -0.615 -27.031 -13.225 1.00 0.00 C ATOM 377 OD1 ASP A 24 0.526 -26.935 -13.731 1.00 0.00 O ATOM 378 OD2 ASP A 24 -1.606 -26.418 -13.674 1.00 0.00 O ATOM 0 H ASP A 24 -1.814 -28.040 -9.333 1.00 0.00 H new ATOM 0 HA ASP A 24 0.489 -26.774 -10.696 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.109 -28.753 -12.020 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.807 -28.321 -11.965 1.00 0.00 H new ATOM 383 N LYS A 25 -1.021 -24.749 -11.204 1.00 0.00 N ATOM 384 CA LYS A 25 -1.751 -23.483 -11.155 1.00 0.00 C ATOM 385 C LYS A 25 -3.196 -23.600 -11.646 1.00 0.00 C ATOM 386 O LYS A 25 -4.058 -22.926 -11.087 1.00 0.00 O ATOM 387 CB LYS A 25 -0.980 -22.391 -11.921 1.00 0.00 C ATOM 388 CG LYS A 25 -0.906 -22.662 -13.434 1.00 0.00 C ATOM 389 CD LYS A 25 -0.058 -21.628 -14.178 1.00 0.00 C ATOM 390 CE LYS A 25 -0.085 -21.997 -15.667 1.00 0.00 C ATOM 391 NZ LYS A 25 0.707 -21.057 -16.498 1.00 0.00 N ATOM 0 H LYS A 25 -0.135 -24.688 -11.706 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.820 -23.195 -10.106 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.461 -21.427 -11.752 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.031 -22.317 -11.520 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.490 -23.655 -13.601 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.914 -22.665 -13.848 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.454 -20.624 -14.024 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.965 -21.628 -13.801 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.304 -23.007 -15.795 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.117 -22.006 -16.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.657 -21.349 -17.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.321 -20.096 -16.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.698 -21.066 -16.183 1.00 0.00 H new ATOM 405 N GLU A 26 -3.489 -24.434 -12.649 1.00 0.00 N ATOM 406 CA GLU A 26 -4.852 -24.589 -13.151 1.00 0.00 C ATOM 407 C GLU A 26 -5.726 -25.236 -12.073 1.00 0.00 C ATOM 408 O GLU A 26 -6.828 -24.767 -11.784 1.00 0.00 O ATOM 409 CB GLU A 26 -4.850 -25.439 -14.434 1.00 0.00 C ATOM 410 CG GLU A 26 -4.220 -24.695 -15.621 1.00 0.00 C ATOM 411 CD GLU A 26 -4.339 -25.505 -16.926 1.00 0.00 C ATOM 412 OE1 GLU A 26 -5.354 -25.360 -17.645 1.00 0.00 O ATOM 413 OE2 GLU A 26 -3.414 -26.276 -17.266 1.00 0.00 O ATOM 0 H GLU A 26 -2.798 -25.011 -13.128 1.00 0.00 H new ATOM 0 HA GLU A 26 -5.262 -23.609 -13.393 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.302 -26.364 -14.254 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.873 -25.719 -14.684 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.709 -23.729 -15.746 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.169 -24.496 -15.410 1.00 0.00 H new ATOM 420 N GLU A 27 -5.212 -26.283 -11.426 1.00 0.00 N ATOM 421 CA GLU A 27 -5.914 -26.990 -10.362 1.00 0.00 C ATOM 422 C GLU A 27 -6.093 -26.058 -9.160 1.00 0.00 C ATOM 423 O GLU A 27 -7.154 -26.020 -8.539 1.00 0.00 O ATOM 424 CB GLU A 27 -5.120 -28.237 -9.942 1.00 0.00 C ATOM 425 CG GLU A 27 -4.794 -29.201 -11.091 1.00 0.00 C ATOM 426 CD GLU A 27 -4.054 -30.456 -10.590 1.00 0.00 C ATOM 427 OE1 GLU A 27 -3.156 -30.336 -9.725 1.00 0.00 O ATOM 428 OE2 GLU A 27 -4.364 -31.571 -11.072 1.00 0.00 O ATOM 0 H GLU A 27 -4.288 -26.665 -11.630 1.00 0.00 H new ATOM 0 HA GLU A 27 -6.892 -27.303 -10.726 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -4.187 -27.919 -9.476 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -5.688 -28.775 -9.183 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.717 -29.498 -11.590 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.181 -28.689 -11.833 1.00 0.00 H new ATOM 435 N ARG A 28 -5.063 -25.272 -8.834 1.00 0.00 N ATOM 436 CA ARG A 28 -5.098 -24.367 -7.689 1.00 0.00 C ATOM 437 C ARG A 28 -6.024 -23.182 -7.935 1.00 0.00 C ATOM 438 O ARG A 28 -6.629 -22.704 -6.975 1.00 0.00 O ATOM 439 CB ARG A 28 -3.673 -23.932 -7.309 1.00 0.00 C ATOM 440 CG ARG A 28 -2.893 -25.147 -6.788 1.00 0.00 C ATOM 441 CD ARG A 28 -1.552 -24.817 -6.137 1.00 0.00 C ATOM 442 NE ARG A 28 -1.108 -25.981 -5.351 1.00 0.00 N ATOM 443 CZ ARG A 28 -0.406 -25.965 -4.217 1.00 0.00 C ATOM 444 NH1 ARG A 28 0.207 -24.863 -3.807 1.00 0.00 N ATOM 445 NH2 ARG A 28 -0.353 -27.073 -3.496 1.00 0.00 N ATOM 0 H ARG A 28 -4.187 -25.247 -9.356 1.00 0.00 H new ATOM 0 HA ARG A 28 -5.516 -24.904 -6.838 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.168 -23.505 -8.175 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.709 -23.154 -6.546 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -3.513 -25.675 -6.063 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.719 -25.832 -7.618 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -0.812 -24.572 -6.899 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -1.649 -23.942 -5.494 1.00 0.00 H new ATOM 0 HE ARG A 28 -1.365 -26.899 -5.713 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.146 -24.009 -4.362 1.00 0.00 H new ATOM 0 HH12 ARG A 28 0.739 -24.869 -2.937 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -0.842 -27.911 -3.812 1.00 0.00 H new ATOM 0 HH22 ARG A 28 0.177 -27.089 -2.624 1.00 0.00 H new ATOM 459 N ALA A 29 -6.205 -22.754 -9.188 1.00 0.00 N ATOM 460 CA ALA A 29 -7.230 -21.779 -9.528 1.00 0.00 C ATOM 461 C ALA A 29 -8.605 -22.356 -9.191 1.00 0.00 C ATOM 462 O ALA A 29 -9.433 -21.654 -8.618 1.00 0.00 O ATOM 463 CB ALA A 29 -7.146 -21.380 -11.008 1.00 0.00 C ATOM 0 H ALA A 29 -5.650 -23.073 -9.982 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.069 -20.874 -8.942 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.924 -20.650 -11.233 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.169 -20.943 -11.212 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -7.286 -22.263 -11.631 1.00 0.00 H new ATOM 469 N MET A 30 -8.850 -23.637 -9.491 1.00 0.00 N ATOM 470 CA MET A 30 -10.115 -24.284 -9.147 1.00 0.00 C ATOM 471 C MET A 30 -10.275 -24.463 -7.638 1.00 0.00 C ATOM 472 O MET A 30 -11.384 -24.290 -7.138 1.00 0.00 O ATOM 473 CB MET A 30 -10.282 -25.607 -9.902 1.00 0.00 C ATOM 474 CG MET A 30 -10.293 -25.417 -11.425 1.00 0.00 C ATOM 475 SD MET A 30 -11.648 -24.414 -12.112 1.00 0.00 S ATOM 476 CE MET A 30 -10.989 -22.722 -12.009 1.00 0.00 C ATOM 0 H MET A 30 -8.186 -24.244 -9.972 1.00 0.00 H new ATOM 0 HA MET A 30 -10.919 -23.621 -9.467 1.00 0.00 H new ATOM 0 HB2 MET A 30 -9.471 -26.282 -9.629 1.00 0.00 H new ATOM 0 HB3 MET A 30 -11.212 -26.084 -9.592 1.00 0.00 H new ATOM 0 HG2 MET A 30 -9.348 -24.959 -11.718 1.00 0.00 H new ATOM 0 HG3 MET A 30 -10.328 -26.402 -11.891 1.00 0.00 H new ATOM 0 HE1 MET A 30 -11.352 -22.138 -12.855 1.00 0.00 H new ATOM 0 HE2 MET A 30 -11.320 -22.259 -11.079 1.00 0.00 H new ATOM 0 HE3 MET A 30 -9.900 -22.754 -12.031 1.00 0.00 H new ATOM 486 N GLY A 31 -9.196 -24.741 -6.900 1.00 0.00 N ATOM 487 CA GLY A 31 -9.237 -24.802 -5.440 1.00 0.00 C ATOM 488 C GLY A 31 -9.674 -23.459 -4.847 1.00 0.00 C ATOM 489 O GLY A 31 -10.632 -23.407 -4.069 1.00 0.00 O ATOM 0 H GLY A 31 -8.275 -24.929 -7.297 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.927 -25.585 -5.124 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -8.253 -25.070 -5.056 1.00 0.00 H new ATOM 493 N TRP A 32 -9.023 -22.368 -5.272 1.00 0.00 N ATOM 494 CA TRP A 32 -9.410 -21.011 -4.909 1.00 0.00 C ATOM 495 C TRP A 32 -10.876 -20.752 -5.266 1.00 0.00 C ATOM 496 O TRP A 32 -11.647 -20.326 -4.409 1.00 0.00 O ATOM 497 CB TRP A 32 -8.509 -19.986 -5.618 1.00 0.00 C ATOM 498 CG TRP A 32 -7.326 -19.509 -4.837 1.00 0.00 C ATOM 499 CD1 TRP A 32 -6.070 -20.003 -4.898 1.00 0.00 C ATOM 500 CD2 TRP A 32 -7.274 -18.407 -3.882 1.00 0.00 C ATOM 501 NE1 TRP A 32 -5.245 -19.276 -4.063 1.00 0.00 N ATOM 502 CE2 TRP A 32 -5.934 -18.277 -3.411 1.00 0.00 C ATOM 503 CE3 TRP A 32 -8.229 -17.505 -3.364 1.00 0.00 C ATOM 504 CZ2 TRP A 32 -5.562 -17.298 -2.479 1.00 0.00 C ATOM 505 CZ3 TRP A 32 -7.867 -16.530 -2.415 1.00 0.00 C ATOM 506 CH2 TRP A 32 -6.536 -16.422 -1.976 1.00 0.00 C ATOM 0 H TRP A 32 -8.207 -22.410 -5.882 1.00 0.00 H new ATOM 0 HA TRP A 32 -9.289 -20.902 -3.831 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -8.152 -20.427 -6.549 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -9.116 -19.121 -5.887 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -5.759 -20.839 -5.507 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -4.248 -19.456 -3.944 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -9.253 -17.564 -3.701 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -4.536 -17.219 -2.151 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -8.617 -15.860 -2.021 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -6.264 -15.667 -1.254 1.00 0.00 H new ATOM 517 N TYR A 33 -11.262 -21.029 -6.514 1.00 0.00 N ATOM 518 CA TYR A 33 -12.591 -20.742 -7.034 1.00 0.00 C ATOM 519 C TYR A 33 -13.661 -21.431 -6.189 1.00 0.00 C ATOM 520 O TYR A 33 -14.624 -20.791 -5.770 1.00 0.00 O ATOM 521 CB TYR A 33 -12.667 -21.210 -8.495 1.00 0.00 C ATOM 522 CG TYR A 33 -14.040 -21.067 -9.113 1.00 0.00 C ATOM 523 CD1 TYR A 33 -15.029 -22.043 -8.885 1.00 0.00 C ATOM 524 CD2 TYR A 33 -14.343 -19.932 -9.880 1.00 0.00 C ATOM 525 CE1 TYR A 33 -16.331 -21.860 -9.375 1.00 0.00 C ATOM 526 CE2 TYR A 33 -15.622 -19.778 -10.434 1.00 0.00 C ATOM 527 CZ TYR A 33 -16.630 -20.734 -10.178 1.00 0.00 C ATOM 528 OH TYR A 33 -17.874 -20.570 -10.707 1.00 0.00 O ATOM 0 H TYR A 33 -10.646 -21.466 -7.199 1.00 0.00 H new ATOM 0 HA TYR A 33 -12.775 -19.669 -6.988 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -11.952 -20.639 -9.087 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -12.362 -22.255 -8.548 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -14.784 -22.937 -8.330 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -13.590 -19.176 -10.044 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -17.103 -22.577 -9.140 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -15.837 -18.924 -11.059 1.00 0.00 H new ATOM 0 HH TYR A 33 -17.864 -19.823 -11.342 1.00 0.00 H new ATOM 538 N TYR A 34 -13.486 -22.731 -5.940 1.00 0.00 N ATOM 539 CA TYR A 34 -14.433 -23.563 -5.232 1.00 0.00 C ATOM 540 C TYR A 34 -14.734 -22.978 -3.854 1.00 0.00 C ATOM 541 O TYR A 34 -15.904 -22.721 -3.554 1.00 0.00 O ATOM 542 CB TYR A 34 -13.856 -24.984 -5.153 1.00 0.00 C ATOM 543 CG TYR A 34 -14.530 -25.868 -4.129 1.00 0.00 C ATOM 544 CD1 TYR A 34 -15.802 -26.409 -4.386 1.00 0.00 C ATOM 545 CD2 TYR A 34 -13.893 -26.108 -2.899 1.00 0.00 C ATOM 546 CE1 TYR A 34 -16.441 -27.197 -3.412 1.00 0.00 C ATOM 547 CE2 TYR A 34 -14.525 -26.893 -1.920 1.00 0.00 C ATOM 548 CZ TYR A 34 -15.803 -27.443 -2.172 1.00 0.00 C ATOM 549 OH TYR A 34 -16.408 -28.203 -1.214 1.00 0.00 O ATOM 0 H TYR A 34 -12.653 -23.239 -6.239 1.00 0.00 H new ATOM 0 HA TYR A 34 -15.385 -23.601 -5.762 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -13.939 -25.453 -6.133 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -12.793 -24.921 -4.919 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -16.288 -26.219 -5.331 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -12.917 -25.688 -2.706 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -17.417 -27.614 -3.610 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -14.035 -27.076 -0.975 1.00 0.00 H new ATOM 0 HH TYR A 34 -15.824 -28.266 -0.430 1.00 0.00 H new ATOM 559 N TYR A 35 -13.708 -22.738 -3.025 1.00 0.00 N ATOM 560 CA TYR A 35 -13.970 -22.257 -1.673 1.00 0.00 C ATOM 561 C TYR A 35 -14.477 -20.811 -1.713 1.00 0.00 C ATOM 562 O TYR A 35 -15.341 -20.457 -0.912 1.00 0.00 O ATOM 563 CB TYR A 35 -12.757 -22.434 -0.742 1.00 0.00 C ATOM 564 CG TYR A 35 -11.920 -21.188 -0.525 1.00 0.00 C ATOM 565 CD1 TYR A 35 -10.848 -20.905 -1.387 1.00 0.00 C ATOM 566 CD2 TYR A 35 -12.244 -20.288 0.510 1.00 0.00 C ATOM 567 CE1 TYR A 35 -10.092 -19.734 -1.219 1.00 0.00 C ATOM 568 CE2 TYR A 35 -11.496 -19.112 0.686 1.00 0.00 C ATOM 569 CZ TYR A 35 -10.413 -18.831 -0.178 1.00 0.00 C ATOM 570 OH TYR A 35 -9.677 -17.698 -0.007 1.00 0.00 O ATOM 0 H TYR A 35 -12.724 -22.865 -3.260 1.00 0.00 H new ATOM 0 HA TYR A 35 -14.758 -22.874 -1.242 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -13.111 -22.787 0.226 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -12.117 -23.215 -1.151 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -10.604 -21.592 -2.184 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -13.071 -20.503 1.171 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -9.267 -19.523 -1.883 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -11.748 -18.424 1.480 1.00 0.00 H new ATOM 0 HH TYR A 35 -9.190 -17.497 -0.833 1.00 0.00 H new ATOM 580 N LEU A 36 -13.970 -19.981 -2.634 1.00 0.00 N ATOM 581 CA LEU A 36 -14.362 -18.584 -2.729 1.00 0.00 C ATOM 582 C LEU A 36 -15.846 -18.489 -3.063 1.00 0.00 C ATOM 583 O LEU A 36 -16.583 -17.862 -2.309 1.00 0.00 O ATOM 584 CB LEU A 36 -13.497 -17.855 -3.768 1.00 0.00 C ATOM 585 CG LEU A 36 -13.905 -16.389 -4.016 1.00 0.00 C ATOM 586 CD1 LEU A 36 -13.908 -15.534 -2.741 1.00 0.00 C ATOM 587 CD2 LEU A 36 -12.929 -15.776 -5.024 1.00 0.00 C ATOM 0 H LEU A 36 -13.279 -20.266 -3.328 1.00 0.00 H new ATOM 0 HA LEU A 36 -14.199 -18.094 -1.769 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.458 -17.880 -3.441 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -13.547 -18.399 -4.711 1.00 0.00 H new ATOM 0 HG LEU A 36 -14.927 -16.396 -4.394 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -14.204 -14.514 -2.987 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -14.613 -15.953 -2.023 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -12.909 -15.527 -2.306 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -13.203 -14.738 -5.211 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -11.917 -15.817 -4.622 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -12.971 -16.336 -5.958 1.00 0.00 H new ATOM 599 N ASP A 37 -16.307 -19.139 -4.134 1.00 0.00 N ATOM 600 CA ASP A 37 -17.711 -19.093 -4.540 1.00 0.00 C ATOM 601 C ASP A 37 -18.620 -19.646 -3.442 1.00 0.00 C ATOM 602 O ASP A 37 -19.679 -19.080 -3.176 1.00 0.00 O ATOM 603 CB ASP A 37 -17.930 -19.882 -5.833 1.00 0.00 C ATOM 604 CG ASP A 37 -19.405 -19.805 -6.257 1.00 0.00 C ATOM 605 OD1 ASP A 37 -19.851 -18.719 -6.691 1.00 0.00 O ATOM 606 OD2 ASP A 37 -20.109 -20.838 -6.182 1.00 0.00 O ATOM 0 H ASP A 37 -15.719 -19.710 -4.741 1.00 0.00 H new ATOM 0 HA ASP A 37 -17.967 -18.048 -4.714 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -17.295 -19.482 -6.624 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -17.640 -20.922 -5.687 1.00 0.00 H new ATOM 611 N ASP A 38 -18.181 -20.709 -2.760 1.00 0.00 N ATOM 612 CA ASP A 38 -18.887 -21.269 -1.604 1.00 0.00 C ATOM 613 C ASP A 38 -18.949 -20.303 -0.406 1.00 0.00 C ATOM 614 O ASP A 38 -19.870 -20.398 0.408 1.00 0.00 O ATOM 615 CB ASP A 38 -18.228 -22.588 -1.181 1.00 0.00 C ATOM 616 CG ASP A 38 -18.957 -23.231 0.010 1.00 0.00 C ATOM 617 OD1 ASP A 38 -20.093 -23.728 -0.168 1.00 0.00 O ATOM 618 OD2 ASP A 38 -18.382 -23.291 1.120 1.00 0.00 O ATOM 0 H ASP A 38 -17.322 -21.207 -2.996 1.00 0.00 H new ATOM 0 HA ASP A 38 -19.916 -21.445 -1.917 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -18.226 -23.280 -2.023 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -17.187 -22.406 -0.915 1.00 0.00 H new ATOM 623 N THR A 39 -18.009 -19.359 -0.297 1.00 0.00 N ATOM 624 CA THR A 39 -17.924 -18.412 0.815 1.00 0.00 C ATOM 625 C THR A 39 -18.651 -17.097 0.498 1.00 0.00 C ATOM 626 O THR A 39 -19.209 -16.491 1.413 1.00 0.00 O ATOM 627 CB THR A 39 -16.443 -18.159 1.158 1.00 0.00 C ATOM 628 OG1 THR A 39 -15.804 -19.378 1.479 1.00 0.00 O ATOM 629 CG2 THR A 39 -16.270 -17.203 2.345 1.00 0.00 C ATOM 0 H THR A 39 -17.274 -19.231 -0.992 1.00 0.00 H new ATOM 0 HA THR A 39 -18.424 -18.846 1.681 1.00 0.00 H new ATOM 0 HB THR A 39 -15.994 -17.702 0.276 1.00 0.00 H new ATOM 0 HG1 THR A 39 -15.379 -19.746 0.676 1.00 0.00 H new ATOM 0 HG21 THR A 39 -15.208 -17.059 2.545 1.00 0.00 H new ATOM 0 HG22 THR A 39 -16.728 -16.243 2.109 1.00 0.00 H new ATOM 0 HG23 THR A 39 -16.751 -17.627 3.227 1.00 0.00 H new ATOM 637 N LEU A 40 -18.663 -16.654 -0.766 1.00 0.00 N ATOM 638 CA LEU A 40 -19.354 -15.435 -1.179 1.00 0.00 C ATOM 639 C LEU A 40 -20.839 -15.565 -0.816 1.00 0.00 C ATOM 640 O LEU A 40 -21.516 -16.467 -1.311 1.00 0.00 O ATOM 641 CB LEU A 40 -19.215 -15.184 -2.694 1.00 0.00 C ATOM 642 CG LEU A 40 -17.810 -14.822 -3.212 1.00 0.00 C ATOM 643 CD1 LEU A 40 -17.839 -14.710 -4.741 1.00 0.00 C ATOM 644 CD2 LEU A 40 -17.229 -13.544 -2.616 1.00 0.00 C ATOM 0 H LEU A 40 -18.190 -17.136 -1.531 1.00 0.00 H new ATOM 0 HA LEU A 40 -18.902 -14.589 -0.661 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -19.550 -16.079 -3.219 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -19.896 -14.379 -2.969 1.00 0.00 H new ATOM 0 HG LEU A 40 -17.153 -15.630 -2.889 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -16.844 -14.454 -5.106 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -18.149 -15.663 -5.170 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -18.545 -13.933 -5.036 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -16.239 -13.364 -3.035 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -17.881 -12.703 -2.852 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -17.151 -13.650 -1.534 1.00 0.00 H new ATOM 656 N GLU A 41 -21.376 -14.648 -0.011 1.00 0.00 N ATOM 657 CA GLU A 41 -22.800 -14.561 0.330 1.00 0.00 C ATOM 658 C GLU A 41 -23.549 -13.842 -0.801 1.00 0.00 C ATOM 659 O GLU A 41 -24.261 -12.858 -0.593 1.00 0.00 O ATOM 660 CB GLU A 41 -22.973 -13.883 1.702 1.00 0.00 C ATOM 661 CG GLU A 41 -22.477 -14.784 2.840 1.00 0.00 C ATOM 662 CD GLU A 41 -23.485 -15.897 3.185 1.00 0.00 C ATOM 663 OE1 GLU A 41 -24.396 -15.662 4.012 1.00 0.00 O ATOM 664 OE2 GLU A 41 -23.374 -17.023 2.650 1.00 0.00 O ATOM 0 H GLU A 41 -20.817 -13.922 0.437 1.00 0.00 H new ATOM 0 HA GLU A 41 -23.234 -15.556 0.422 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -22.424 -12.942 1.716 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -24.024 -13.641 1.860 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -21.525 -15.234 2.556 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -22.291 -14.177 3.726 1.00 0.00 H new ATOM 671 N PHE A 42 -23.301 -14.294 -2.029 1.00 0.00 N ATOM 672 CA PHE A 42 -23.838 -13.701 -3.246 1.00 0.00 C ATOM 673 C PHE A 42 -25.376 -13.818 -3.304 1.00 0.00 C ATOM 674 O PHE A 42 -25.935 -14.749 -2.711 1.00 0.00 O ATOM 675 CB PHE A 42 -23.145 -14.322 -4.475 1.00 0.00 C ATOM 676 CG PHE A 42 -23.482 -15.774 -4.779 1.00 0.00 C ATOM 677 CD1 PHE A 42 -24.677 -16.100 -5.454 1.00 0.00 C ATOM 678 CD2 PHE A 42 -22.589 -16.805 -4.425 1.00 0.00 C ATOM 679 CE1 PHE A 42 -24.987 -17.441 -5.745 1.00 0.00 C ATOM 680 CE2 PHE A 42 -22.899 -18.145 -4.716 1.00 0.00 C ATOM 681 CZ PHE A 42 -24.099 -18.465 -5.373 1.00 0.00 C ATOM 0 H PHE A 42 -22.706 -15.103 -2.206 1.00 0.00 H new ATOM 0 HA PHE A 42 -23.623 -12.632 -3.247 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -23.398 -13.722 -5.349 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -22.067 -14.243 -4.335 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -25.358 -15.315 -5.749 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -21.661 -16.564 -3.927 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -25.908 -17.684 -6.255 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -22.213 -18.930 -4.434 1.00 0.00 H new ATOM 0 HZ PHE A 42 -24.338 -19.495 -5.592 1.00 0.00 H new ATOM 691 N PRO A 43 -26.077 -12.940 -4.051 1.00 0.00 N ATOM 692 CA PRO A 43 -25.555 -11.728 -4.679 1.00 0.00 C ATOM 693 C PRO A 43 -25.209 -10.662 -3.626 1.00 0.00 C ATOM 694 O PRO A 43 -25.775 -10.643 -2.530 1.00 0.00 O ATOM 695 CB PRO A 43 -26.664 -11.251 -5.622 1.00 0.00 C ATOM 696 CG PRO A 43 -27.941 -11.732 -4.935 1.00 0.00 C ATOM 697 CD PRO A 43 -27.511 -13.047 -4.286 1.00 0.00 C ATOM 0 HA PRO A 43 -24.628 -11.918 -5.219 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -26.654 -10.167 -5.739 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -26.557 -11.680 -6.618 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -28.296 -11.014 -4.195 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -28.751 -11.881 -5.649 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -28.047 -13.212 -3.351 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -27.736 -13.893 -4.936 1.00 0.00 H new ATOM 705 N PHE A 44 -24.283 -9.770 -3.972 1.00 0.00 N ATOM 706 CA PHE A 44 -23.814 -8.671 -3.129 1.00 0.00 C ATOM 707 C PHE A 44 -23.537 -7.458 -4.019 1.00 0.00 C ATOM 708 O PHE A 44 -23.945 -7.458 -5.180 1.00 0.00 O ATOM 709 CB PHE A 44 -22.603 -9.118 -2.289 1.00 0.00 C ATOM 710 CG PHE A 44 -21.307 -9.443 -3.020 1.00 0.00 C ATOM 711 CD1 PHE A 44 -21.144 -10.679 -3.677 1.00 0.00 C ATOM 712 CD2 PHE A 44 -20.223 -8.545 -2.968 1.00 0.00 C ATOM 713 CE1 PHE A 44 -19.916 -11.011 -4.276 1.00 0.00 C ATOM 714 CE2 PHE A 44 -19.001 -8.868 -3.583 1.00 0.00 C ATOM 715 CZ PHE A 44 -18.843 -10.105 -4.230 1.00 0.00 C ATOM 0 H PHE A 44 -23.821 -9.793 -4.881 1.00 0.00 H new ATOM 0 HA PHE A 44 -24.576 -8.378 -2.407 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -22.390 -8.331 -1.565 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -22.897 -10.001 -1.722 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -21.968 -11.376 -3.721 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -20.331 -7.602 -2.452 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -19.797 -11.963 -4.772 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -18.182 -8.164 -3.558 1.00 0.00 H new ATOM 0 HZ PHE A 44 -17.900 -10.359 -4.691 1.00 0.00 H new ATOM 725 N MET A 45 -22.873 -6.415 -3.518 1.00 0.00 N ATOM 726 CA MET A 45 -22.514 -5.261 -4.336 1.00 0.00 C ATOM 727 C MET A 45 -21.069 -4.831 -4.112 1.00 0.00 C ATOM 728 O MET A 45 -20.411 -5.236 -3.152 1.00 0.00 O ATOM 729 CB MET A 45 -23.515 -4.112 -4.124 1.00 0.00 C ATOM 730 CG MET A 45 -23.326 -3.315 -2.823 1.00 0.00 C ATOM 731 SD MET A 45 -23.783 -1.562 -2.942 1.00 0.00 S ATOM 732 CE MET A 45 -22.481 -0.949 -4.058 1.00 0.00 C ATOM 0 H MET A 45 -22.573 -6.348 -2.545 1.00 0.00 H new ATOM 0 HA MET A 45 -22.578 -5.556 -5.383 1.00 0.00 H new ATOM 0 HB2 MET A 45 -23.440 -3.425 -4.967 1.00 0.00 H new ATOM 0 HB3 MET A 45 -24.524 -4.523 -4.137 1.00 0.00 H new ATOM 0 HG2 MET A 45 -23.921 -3.780 -2.037 1.00 0.00 H new ATOM 0 HG3 MET A 45 -22.282 -3.386 -2.517 1.00 0.00 H new ATOM 0 HE1 MET A 45 -22.321 0.114 -3.881 1.00 0.00 H new ATOM 0 HE2 MET A 45 -21.555 -1.492 -3.869 1.00 0.00 H new ATOM 0 HE3 MET A 45 -22.787 -1.102 -5.093 1.00 0.00 H new ATOM 742 N GLY A 46 -20.586 -3.974 -5.000 1.00 0.00 N ATOM 743 CA GLY A 46 -19.240 -3.459 -4.944 1.00 0.00 C ATOM 744 C GLY A 46 -19.073 -2.249 -5.836 1.00 0.00 C ATOM 745 O GLY A 46 -20.006 -1.790 -6.499 1.00 0.00 O ATOM 0 H GLY A 46 -21.130 -3.617 -5.786 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -18.994 -3.192 -3.916 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -18.539 -4.236 -5.248 1.00 0.00 H new ATOM 749 N LYS A 47 -17.845 -1.751 -5.855 1.00 0.00 N ATOM 750 CA LYS A 47 -17.397 -0.734 -6.787 1.00 0.00 C ATOM 751 C LYS A 47 -16.319 -1.377 -7.647 1.00 0.00 C ATOM 752 O LYS A 47 -15.333 -1.887 -7.119 1.00 0.00 O ATOM 753 CB LYS A 47 -16.876 0.480 -6.000 1.00 0.00 C ATOM 754 CG LYS A 47 -16.764 1.740 -6.870 1.00 0.00 C ATOM 755 CD LYS A 47 -18.117 2.444 -7.064 1.00 0.00 C ATOM 756 CE LYS A 47 -18.574 3.212 -5.814 1.00 0.00 C ATOM 757 NZ LYS A 47 -19.749 4.076 -6.094 1.00 0.00 N ATOM 0 H LYS A 47 -17.118 -2.052 -5.206 1.00 0.00 H new ATOM 0 HA LYS A 47 -18.200 -0.370 -7.428 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -17.544 0.679 -5.162 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -15.898 0.244 -5.580 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -16.060 2.434 -6.410 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -16.356 1.470 -7.844 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -18.044 3.136 -7.903 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -18.872 1.703 -7.326 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -18.824 2.504 -5.024 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -17.752 3.825 -5.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -20.260 4.264 -5.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -19.428 4.975 -6.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -20.382 3.594 -6.764 1.00 0.00 H new ATOM 771 N TRP A 48 -16.510 -1.380 -8.961 1.00 0.00 N ATOM 772 CA TRP A 48 -15.478 -1.758 -9.911 1.00 0.00 C ATOM 773 C TRP A 48 -14.545 -0.555 -10.001 1.00 0.00 C ATOM 774 O TRP A 48 -14.919 0.484 -10.545 1.00 0.00 O ATOM 775 CB TRP A 48 -16.118 -2.144 -11.256 1.00 0.00 C ATOM 776 CG TRP A 48 -15.233 -2.750 -12.309 1.00 0.00 C ATOM 777 CD1 TRP A 48 -13.882 -2.813 -12.298 1.00 0.00 C ATOM 778 CD2 TRP A 48 -15.631 -3.399 -13.559 1.00 0.00 C ATOM 779 NE1 TRP A 48 -13.425 -3.466 -13.417 1.00 0.00 N ATOM 780 CE2 TRP A 48 -14.459 -3.874 -14.222 1.00 0.00 C ATOM 781 CE3 TRP A 48 -16.865 -3.633 -14.205 1.00 0.00 C ATOM 782 CZ2 TRP A 48 -14.506 -4.568 -15.438 1.00 0.00 C ATOM 783 CZ3 TRP A 48 -16.927 -4.327 -15.430 1.00 0.00 C ATOM 784 CH2 TRP A 48 -15.751 -4.802 -16.039 1.00 0.00 C ATOM 0 H TRP A 48 -17.394 -1.118 -9.398 1.00 0.00 H new ATOM 0 HA TRP A 48 -14.911 -2.637 -9.604 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -16.925 -2.848 -11.052 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -16.575 -1.249 -11.678 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -13.252 -2.408 -11.520 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -12.439 -3.628 -13.624 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -17.777 -3.274 -13.752 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -13.597 -4.917 -15.905 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -17.883 -4.495 -15.904 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -15.807 -5.347 -16.970 1.00 0.00 H new ATOM 795 N LYS A 49 -13.355 -0.679 -9.411 1.00 0.00 N ATOM 796 CA LYS A 49 -12.319 0.355 -9.334 1.00 0.00 C ATOM 797 C LYS A 49 -11.503 0.334 -10.641 1.00 0.00 C ATOM 798 O LYS A 49 -10.274 0.268 -10.611 1.00 0.00 O ATOM 799 CB LYS A 49 -11.421 0.074 -8.103 1.00 0.00 C ATOM 800 CG LYS A 49 -12.148 -0.234 -6.781 1.00 0.00 C ATOM 801 CD LYS A 49 -12.923 0.934 -6.159 1.00 0.00 C ATOM 802 CE LYS A 49 -11.971 1.930 -5.483 1.00 0.00 C ATOM 803 NZ LYS A 49 -12.656 2.725 -4.439 1.00 0.00 N ATOM 0 H LYS A 49 -13.073 -1.545 -8.951 1.00 0.00 H new ATOM 0 HA LYS A 49 -12.761 1.344 -9.217 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -10.771 -0.768 -8.340 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -10.777 0.939 -7.945 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -12.843 -1.056 -6.953 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -11.413 -0.584 -6.057 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -13.500 1.444 -6.931 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -13.636 0.553 -5.427 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -11.136 1.389 -5.038 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.553 2.600 -6.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -11.960 3.312 -3.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -13.371 3.337 -4.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -13.120 2.085 -3.763 1.00 0.00 H new ATOM 817 N LYS A 50 -12.192 0.312 -11.785 1.00 0.00 N ATOM 818 CA LYS A 50 -11.614 0.058 -13.103 1.00 0.00 C ATOM 819 C LYS A 50 -10.429 0.982 -13.367 1.00 0.00 C ATOM 820 O LYS A 50 -10.604 2.195 -13.418 1.00 0.00 O ATOM 821 CB LYS A 50 -12.717 0.203 -14.164 1.00 0.00 C ATOM 822 CG LYS A 50 -12.191 -0.086 -15.580 1.00 0.00 C ATOM 823 CD LYS A 50 -13.305 -0.137 -16.638 1.00 0.00 C ATOM 824 CE LYS A 50 -14.233 -1.346 -16.437 1.00 0.00 C ATOM 825 NZ LYS A 50 -15.255 -1.464 -17.507 1.00 0.00 N ATOM 0 H LYS A 50 -13.198 0.476 -11.818 1.00 0.00 H new ATOM 0 HA LYS A 50 -11.223 -0.958 -13.148 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -13.534 -0.480 -13.934 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -13.126 1.213 -14.127 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -11.470 0.683 -15.857 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -11.658 -1.037 -15.576 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -13.891 0.781 -16.593 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -12.860 -0.183 -17.632 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -13.636 -2.257 -16.408 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -14.731 -1.261 -15.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -15.854 -2.294 -17.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -15.845 -0.607 -17.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -14.783 -1.573 -18.427 1.00 0.00 H new ATOM 976 N GLU A 59 -11.333 4.587 -12.211 1.00 0.00 N ATOM 977 CA GLU A 59 -12.720 4.966 -12.404 1.00 0.00 C ATOM 978 C GLU A 59 -13.520 4.042 -11.486 1.00 0.00 C ATOM 979 O GLU A 59 -13.086 2.927 -11.182 1.00 0.00 O ATOM 980 CB GLU A 59 -13.152 4.786 -13.869 1.00 0.00 C ATOM 981 CG GLU A 59 -12.355 5.660 -14.847 1.00 0.00 C ATOM 982 CD GLU A 59 -12.945 5.639 -16.269 1.00 0.00 C ATOM 983 OE1 GLU A 59 -13.172 4.548 -16.840 1.00 0.00 O ATOM 984 OE2 GLU A 59 -13.162 6.734 -16.835 1.00 0.00 O ATOM 0 HA GLU A 59 -12.882 6.018 -12.170 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -13.035 3.739 -14.149 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -14.212 5.024 -13.960 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -12.336 6.686 -14.480 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -11.322 5.314 -14.880 1.00 0.00 H new ATOM 991 N GLU A 60 -14.690 4.492 -11.039 1.00 0.00 N ATOM 992 CA GLU A 60 -15.448 3.823 -9.993 1.00 0.00 C ATOM 993 C GLU A 60 -16.877 3.619 -10.492 1.00 0.00 C ATOM 994 O GLU A 60 -17.650 4.576 -10.588 1.00 0.00 O ATOM 995 CB GLU A 60 -15.379 4.666 -8.707 1.00 0.00 C ATOM 996 CG GLU A 60 -13.966 4.710 -8.110 1.00 0.00 C ATOM 997 CD GLU A 60 -13.973 5.371 -6.724 1.00 0.00 C ATOM 998 OE1 GLU A 60 -14.150 4.647 -5.719 1.00 0.00 O ATOM 999 OE2 GLU A 60 -13.787 6.606 -6.628 1.00 0.00 O ATOM 0 H GLU A 60 -15.138 5.336 -11.396 1.00 0.00 H new ATOM 0 HA GLU A 60 -15.033 2.843 -9.757 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -15.710 5.682 -8.924 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -16.069 4.256 -7.970 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -13.569 3.698 -8.032 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -13.303 5.262 -8.776 1.00 0.00 H new ATOM 1006 N LYS A 61 -17.224 2.371 -10.824 1.00 0.00 N ATOM 1007 CA LYS A 61 -18.548 1.998 -11.328 1.00 0.00 C ATOM 1008 C LYS A 61 -19.232 1.145 -10.270 1.00 0.00 C ATOM 1009 O LYS A 61 -18.697 0.106 -9.888 1.00 0.00 O ATOM 1010 CB LYS A 61 -18.385 1.249 -12.662 1.00 0.00 C ATOM 1011 CG LYS A 61 -19.716 0.744 -13.237 1.00 0.00 C ATOM 1012 CD LYS A 61 -19.533 0.090 -14.619 1.00 0.00 C ATOM 1013 CE LYS A 61 -19.448 1.101 -15.775 1.00 0.00 C ATOM 1014 NZ LYS A 61 -20.699 1.882 -15.951 1.00 0.00 N ATOM 0 H LYS A 61 -16.583 1.581 -10.749 1.00 0.00 H new ATOM 0 HA LYS A 61 -19.167 2.875 -11.519 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -17.911 1.910 -13.387 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -17.715 0.402 -12.516 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -20.158 0.023 -12.550 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -20.415 1.576 -13.319 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -18.625 -0.513 -14.608 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -20.365 -0.589 -14.803 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -18.620 1.786 -15.592 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -19.224 0.570 -16.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -20.515 2.697 -16.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -21.428 1.278 -16.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -21.031 2.219 -15.025 1.00 0.00 H new ATOM 1028 N THR A 62 -20.380 1.578 -9.762 1.00 0.00 N ATOM 1029 CA THR A 62 -21.148 0.802 -8.799 1.00 0.00 C ATOM 1030 C THR A 62 -21.735 -0.422 -9.512 1.00 0.00 C ATOM 1031 O THR A 62 -22.321 -0.291 -10.590 1.00 0.00 O ATOM 1032 CB THR A 62 -22.228 1.704 -8.179 1.00 0.00 C ATOM 1033 OG1 THR A 62 -21.680 2.983 -7.898 1.00 0.00 O ATOM 1034 CG2 THR A 62 -22.738 1.137 -6.857 1.00 0.00 C ATOM 0 H THR A 62 -20.802 2.474 -10.006 1.00 0.00 H new ATOM 0 HA THR A 62 -20.520 0.440 -7.985 1.00 0.00 H new ATOM 0 HB THR A 62 -23.046 1.766 -8.896 1.00 0.00 H new ATOM 0 HG1 THR A 62 -22.371 3.556 -7.505 1.00 0.00 H new ATOM 0 HG21 THR A 62 -23.500 1.800 -6.447 1.00 0.00 H new ATOM 0 HG22 THR A 62 -23.168 0.150 -7.026 1.00 0.00 H new ATOM 0 HG23 THR A 62 -21.910 1.056 -6.152 1.00 0.00 H new ATOM 1042 N VAL A 63 -21.585 -1.603 -8.915 1.00 0.00 N ATOM 1043 CA VAL A 63 -21.991 -2.861 -9.525 1.00 0.00 C ATOM 1044 C VAL A 63 -22.651 -3.774 -8.493 1.00 0.00 C ATOM 1045 O VAL A 63 -22.282 -3.775 -7.318 1.00 0.00 O ATOM 1046 CB VAL A 63 -20.784 -3.555 -10.203 1.00 0.00 C ATOM 1047 CG1 VAL A 63 -20.310 -2.815 -11.464 1.00 0.00 C ATOM 1048 CG2 VAL A 63 -19.568 -3.750 -9.278 1.00 0.00 C ATOM 0 H VAL A 63 -21.175 -1.711 -7.987 1.00 0.00 H new ATOM 0 HA VAL A 63 -22.729 -2.647 -10.298 1.00 0.00 H new ATOM 0 HB VAL A 63 -21.174 -4.537 -10.470 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -19.462 -3.344 -11.899 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -21.123 -2.774 -12.189 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -20.008 -1.802 -11.199 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -18.767 -4.242 -9.829 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -19.221 -2.779 -8.923 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -19.854 -4.366 -8.426 1.00 0.00 H new ATOM 1058 N GLU A 64 -23.627 -4.563 -8.940 1.00 0.00 N ATOM 1059 CA GLU A 64 -24.197 -5.647 -8.153 1.00 0.00 C ATOM 1060 C GLU A 64 -23.430 -6.878 -8.626 1.00 0.00 C ATOM 1061 O GLU A 64 -23.334 -7.103 -9.831 1.00 0.00 O ATOM 1062 CB GLU A 64 -25.704 -5.776 -8.420 1.00 0.00 C ATOM 1063 CG GLU A 64 -26.345 -6.914 -7.614 1.00 0.00 C ATOM 1064 CD GLU A 64 -27.864 -6.986 -7.846 1.00 0.00 C ATOM 1065 OE1 GLU A 64 -28.312 -7.700 -8.772 1.00 0.00 O ATOM 1066 OE2 GLU A 64 -28.631 -6.347 -7.089 1.00 0.00 O ATOM 0 H GLU A 64 -24.045 -4.464 -9.865 1.00 0.00 H new ATOM 0 HA GLU A 64 -24.106 -5.493 -7.078 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -26.196 -4.836 -8.171 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -25.868 -5.950 -9.483 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -25.888 -7.863 -7.896 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -26.145 -6.767 -6.553 1.00 0.00 H new ATOM 1073 N VAL A 65 -22.844 -7.632 -7.705 1.00 0.00 N ATOM 1074 CA VAL A 65 -22.001 -8.778 -7.996 1.00 0.00 C ATOM 1075 C VAL A 65 -22.884 -10.012 -7.815 1.00 0.00 C ATOM 1076 O VAL A 65 -23.340 -10.309 -6.708 1.00 0.00 O ATOM 1077 CB VAL A 65 -20.746 -8.770 -7.097 1.00 0.00 C ATOM 1078 CG1 VAL A 65 -19.738 -9.800 -7.624 1.00 0.00 C ATOM 1079 CG2 VAL A 65 -20.046 -7.397 -7.045 1.00 0.00 C ATOM 0 H VAL A 65 -22.947 -7.455 -6.706 1.00 0.00 H new ATOM 0 HA VAL A 65 -21.611 -8.763 -9.014 1.00 0.00 H new ATOM 0 HB VAL A 65 -21.083 -9.012 -6.089 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -18.850 -9.797 -6.991 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -20.190 -10.792 -7.610 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -19.456 -9.544 -8.645 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -19.172 -7.459 -6.397 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -19.734 -7.110 -8.049 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -20.737 -6.651 -6.652 1.00 0.00 H new ATOM 1089 N LEU A 66 -23.187 -10.687 -8.924 1.00 0.00 N ATOM 1090 CA LEU A 66 -24.168 -11.768 -8.969 1.00 0.00 C ATOM 1091 C LEU A 66 -23.613 -13.041 -8.328 1.00 0.00 C ATOM 1092 O LEU A 66 -24.386 -13.838 -7.800 1.00 0.00 O ATOM 1093 CB LEU A 66 -24.567 -12.080 -10.425 1.00 0.00 C ATOM 1094 CG LEU A 66 -25.611 -11.130 -11.042 1.00 0.00 C ATOM 1095 CD1 LEU A 66 -25.105 -9.693 -11.213 1.00 0.00 C ATOM 1096 CD2 LEU A 66 -26.022 -11.670 -12.416 1.00 0.00 C ATOM 0 H LEU A 66 -22.752 -10.495 -9.826 1.00 0.00 H new ATOM 0 HA LEU A 66 -25.043 -11.436 -8.411 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -23.669 -12.057 -11.043 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -24.956 -13.097 -10.467 1.00 0.00 H new ATOM 0 HG LEU A 66 -26.453 -11.094 -10.350 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -25.892 -9.080 -11.653 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -24.829 -9.286 -10.240 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -24.234 -9.690 -11.868 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -26.761 -11.005 -12.862 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -25.146 -11.725 -13.062 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -26.451 -12.665 -12.302 1.00 0.00 H new ATOM 1108 N GLY A 67 -22.297 -13.246 -8.397 1.00 0.00 N ATOM 1109 CA GLY A 67 -21.610 -14.456 -7.998 1.00 0.00 C ATOM 1110 C GLY A 67 -20.326 -14.540 -8.816 1.00 0.00 C ATOM 1111 O GLY A 67 -20.027 -13.650 -9.622 1.00 0.00 O ATOM 0 H GLY A 67 -21.659 -12.533 -8.751 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -21.385 -14.436 -6.932 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -22.237 -15.330 -8.176 1.00 0.00 H new ATOM 1115 N MET A 68 -19.560 -15.609 -8.622 1.00 0.00 N ATOM 1116 CA MET A 68 -18.430 -15.898 -9.497 1.00 0.00 C ATOM 1117 C MET A 68 -18.916 -16.172 -10.921 1.00 0.00 C ATOM 1118 O MET A 68 -20.031 -16.657 -11.136 1.00 0.00 O ATOM 1119 CB MET A 68 -17.581 -17.060 -8.973 1.00 0.00 C ATOM 1120 CG MET A 68 -16.871 -16.684 -7.666 1.00 0.00 C ATOM 1121 SD MET A 68 -15.258 -17.469 -7.416 1.00 0.00 S ATOM 1122 CE MET A 68 -14.303 -16.602 -8.692 1.00 0.00 C ATOM 0 H MET A 68 -19.700 -16.285 -7.871 1.00 0.00 H new ATOM 0 HA MET A 68 -17.789 -15.017 -9.510 1.00 0.00 H new ATOM 0 HB2 MET A 68 -18.215 -17.931 -8.808 1.00 0.00 H new ATOM 0 HB3 MET A 68 -16.842 -17.341 -9.723 1.00 0.00 H new ATOM 0 HG2 MET A 68 -16.739 -15.602 -7.640 1.00 0.00 H new ATOM 0 HG3 MET A 68 -17.519 -16.946 -6.830 1.00 0.00 H new ATOM 0 HE1 MET A 68 -13.317 -17.058 -8.781 1.00 0.00 H new ATOM 0 HE2 MET A 68 -14.823 -16.673 -9.647 1.00 0.00 H new ATOM 0 HE3 MET A 68 -14.194 -15.553 -8.415 1.00 0.00 H new ATOM 1132 N ALA A 69 -18.054 -15.862 -11.890 1.00 0.00 N ATOM 1133 CA ALA A 69 -18.241 -16.223 -13.288 1.00 0.00 C ATOM 1134 C ALA A 69 -18.142 -17.753 -13.455 1.00 0.00 C ATOM 1135 O ALA A 69 -17.776 -18.444 -12.496 1.00 0.00 O ATOM 1136 CB ALA A 69 -17.175 -15.480 -14.104 1.00 0.00 C ATOM 0 H ALA A 69 -17.192 -15.344 -11.718 1.00 0.00 H new ATOM 0 HA ALA A 69 -19.230 -15.934 -13.645 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -17.286 -15.728 -15.160 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -17.297 -14.405 -13.969 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -16.183 -15.778 -13.764 1.00 0.00 H new ATOM 1142 N PRO A 70 -18.451 -18.311 -14.641 1.00 0.00 N ATOM 1143 CA PRO A 70 -18.179 -19.710 -14.942 1.00 0.00 C ATOM 1144 C PRO A 70 -16.735 -20.088 -14.598 1.00 0.00 C ATOM 1145 O PRO A 70 -15.791 -19.352 -14.908 1.00 0.00 O ATOM 1146 CB PRO A 70 -18.478 -19.882 -16.434 1.00 0.00 C ATOM 1147 CG PRO A 70 -19.537 -18.813 -16.693 1.00 0.00 C ATOM 1148 CD PRO A 70 -19.088 -17.672 -15.782 1.00 0.00 C ATOM 0 HA PRO A 70 -18.799 -20.375 -14.341 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -17.589 -19.727 -17.045 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -18.849 -20.882 -16.659 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -19.560 -18.511 -17.740 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -20.538 -19.164 -16.440 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -18.394 -17.008 -16.298 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -19.936 -17.064 -15.468 1.00 0.00 H new ATOM 1156 N ASP A 71 -16.566 -21.262 -13.991 1.00 0.00 N ATOM 1157 CA ASP A 71 -15.262 -21.787 -13.591 1.00 0.00 C ATOM 1158 C ASP A 71 -14.308 -21.897 -14.782 1.00 0.00 C ATOM 1159 O ASP A 71 -13.109 -21.700 -14.614 1.00 0.00 O ATOM 1160 CB ASP A 71 -15.406 -23.144 -12.886 1.00 0.00 C ATOM 1161 CG ASP A 71 -15.666 -24.306 -13.863 1.00 0.00 C ATOM 1162 OD1 ASP A 71 -16.800 -24.411 -14.383 1.00 0.00 O ATOM 1163 OD2 ASP A 71 -14.763 -25.140 -14.090 1.00 0.00 O ATOM 0 H ASP A 71 -17.342 -21.883 -13.760 1.00 0.00 H new ATOM 0 HA ASP A 71 -14.831 -21.077 -12.885 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -14.499 -23.350 -12.318 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -16.225 -23.089 -12.169 1.00 0.00 H new ATOM 1168 N ASP A 72 -14.837 -22.125 -15.990 1.00 0.00 N ATOM 1169 CA ASP A 72 -14.061 -22.234 -17.225 1.00 0.00 C ATOM 1170 C ASP A 72 -13.279 -20.955 -17.551 1.00 0.00 C ATOM 1171 O ASP A 72 -12.211 -21.025 -18.160 1.00 0.00 O ATOM 1172 CB ASP A 72 -15.000 -22.573 -18.388 1.00 0.00 C ATOM 1173 CG ASP A 72 -14.235 -22.683 -19.718 1.00 0.00 C ATOM 1174 OD1 ASP A 72 -13.499 -23.676 -19.918 1.00 0.00 O ATOM 1175 OD2 ASP A 72 -14.404 -21.804 -20.593 1.00 0.00 O ATOM 0 H ASP A 72 -15.840 -22.241 -16.136 1.00 0.00 H new ATOM 0 HA ASP A 72 -13.329 -23.028 -17.078 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -15.511 -23.514 -18.182 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -15.769 -21.805 -18.472 1.00 0.00 H new ATOM 1180 N GLU A 73 -13.773 -19.785 -17.130 1.00 0.00 N ATOM 1181 CA GLU A 73 -13.058 -18.522 -17.307 1.00 0.00 C ATOM 1182 C GLU A 73 -12.070 -18.295 -16.158 1.00 0.00 C ATOM 1183 O GLU A 73 -11.042 -17.634 -16.339 1.00 0.00 O ATOM 1184 CB GLU A 73 -14.051 -17.351 -17.402 1.00 0.00 C ATOM 1185 CG GLU A 73 -14.913 -17.443 -18.672 1.00 0.00 C ATOM 1186 CD GLU A 73 -15.750 -16.172 -18.899 1.00 0.00 C ATOM 1187 OE1 GLU A 73 -15.191 -15.144 -19.345 1.00 0.00 O ATOM 1188 OE2 GLU A 73 -16.982 -16.202 -18.681 1.00 0.00 O ATOM 0 H GLU A 73 -14.674 -19.690 -16.661 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.494 -18.574 -18.238 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -14.696 -17.347 -16.523 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -13.504 -16.408 -17.400 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -14.269 -17.611 -19.535 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -15.577 -18.305 -18.597 1.00 0.00 H new ATOM 1195 N CYS A 74 -12.347 -18.870 -14.985 1.00 0.00 N ATOM 1196 CA CYS A 74 -11.641 -18.600 -13.740 1.00 0.00 C ATOM 1197 C CYS A 74 -10.416 -19.502 -13.536 1.00 0.00 C ATOM 1198 O CYS A 74 -9.959 -19.686 -12.410 1.00 0.00 O ATOM 1199 CB CYS A 74 -12.613 -18.707 -12.561 1.00 0.00 C ATOM 1200 SG CYS A 74 -14.016 -17.575 -12.780 1.00 0.00 S ATOM 0 H CYS A 74 -13.093 -19.557 -14.877 1.00 0.00 H new ATOM 0 HA CYS A 74 -11.253 -17.583 -13.798 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -12.976 -19.731 -12.474 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -12.093 -18.474 -11.632 1.00 0.00 H new ATOM 0 HG CYS A 74 -14.868 -18.096 -13.613 1.00 0.00 H new ATOM 1206 N LEU A 75 -9.867 -20.061 -14.617 1.00 0.00 N ATOM 1207 CA LEU A 75 -8.646 -20.871 -14.611 1.00 0.00 C ATOM 1208 C LEU A 75 -7.395 -20.020 -14.339 1.00 0.00 C ATOM 1209 O LEU A 75 -6.305 -20.571 -14.184 1.00 0.00 O ATOM 1210 CB LEU A 75 -8.497 -21.612 -15.963 1.00 0.00 C ATOM 1211 CG LEU A 75 -8.960 -23.083 -15.990 1.00 0.00 C ATOM 1212 CD1 LEU A 75 -8.182 -23.950 -14.994 1.00 0.00 C ATOM 1213 CD2 LEU A 75 -10.460 -23.239 -15.745 1.00 0.00 C ATOM 0 H LEU A 75 -10.271 -19.960 -15.548 1.00 0.00 H new ATOM 0 HA LEU A 75 -8.735 -21.596 -13.802 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -9.059 -21.062 -16.718 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.448 -21.578 -16.258 1.00 0.00 H new ATOM 0 HG LEU A 75 -8.748 -23.432 -17.001 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.542 -24.978 -15.048 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -7.121 -23.924 -15.240 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.330 -23.566 -13.985 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -10.726 -24.296 -15.776 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -10.713 -22.829 -14.767 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -11.012 -22.703 -16.517 1.00 0.00 H new ATOM 1225 N LYS A 76 -7.538 -18.690 -14.306 1.00 0.00 N ATOM 1226 CA LYS A 76 -6.428 -17.740 -14.275 1.00 0.00 C ATOM 1227 C LYS A 76 -6.665 -16.585 -13.306 1.00 0.00 C ATOM 1228 O LYS A 76 -5.693 -16.060 -12.769 1.00 0.00 O ATOM 1229 CB LYS A 76 -6.173 -17.231 -15.709 1.00 0.00 C ATOM 1230 CG LYS A 76 -7.395 -16.542 -16.352 1.00 0.00 C ATOM 1231 CD LYS A 76 -7.170 -16.256 -17.843 1.00 0.00 C ATOM 1232 CE LYS A 76 -8.409 -15.630 -18.504 1.00 0.00 C ATOM 1233 NZ LYS A 76 -9.564 -16.564 -18.603 1.00 0.00 N ATOM 0 H LYS A 76 -8.452 -18.237 -14.300 1.00 0.00 H new ATOM 0 HA LYS A 76 -5.543 -18.256 -13.902 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -5.339 -16.529 -15.693 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.871 -18.071 -16.334 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -8.274 -17.175 -16.232 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.602 -15.608 -15.830 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -6.319 -15.584 -17.959 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -6.916 -17.184 -18.356 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -8.710 -14.751 -17.934 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -8.143 -15.286 -19.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.328 -16.115 -19.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.265 -17.437 -19.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.907 -16.794 -17.649 1.00 0.00 H new ATOM 1247 N ASP A 77 -7.914 -16.189 -13.057 1.00 0.00 N ATOM 1248 CA ASP A 77 -8.251 -15.053 -12.196 1.00 0.00 C ATOM 1249 C ASP A 77 -9.652 -15.297 -11.642 1.00 0.00 C ATOM 1250 O ASP A 77 -10.458 -15.965 -12.294 1.00 0.00 O ATOM 1251 CB ASP A 77 -8.215 -13.749 -13.009 1.00 0.00 C ATOM 1252 CG ASP A 77 -8.617 -12.525 -12.170 1.00 0.00 C ATOM 1253 OD1 ASP A 77 -7.718 -11.901 -11.562 1.00 0.00 O ATOM 1254 OD2 ASP A 77 -9.817 -12.183 -12.129 1.00 0.00 O ATOM 0 H ASP A 77 -8.731 -16.654 -13.453 1.00 0.00 H new ATOM 0 HA ASP A 77 -7.533 -14.959 -11.381 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -7.211 -13.600 -13.407 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -8.887 -13.838 -13.863 1.00 0.00 H new ATOM 1259 N MET A 78 -9.943 -14.808 -10.438 1.00 0.00 N ATOM 1260 CA MET A 78 -11.256 -14.953 -9.823 1.00 0.00 C ATOM 1261 C MET A 78 -12.235 -13.954 -10.462 1.00 0.00 C ATOM 1262 O MET A 78 -12.440 -12.857 -9.943 1.00 0.00 O ATOM 1263 CB MET A 78 -11.138 -14.774 -8.299 1.00 0.00 C ATOM 1264 CG MET A 78 -10.246 -15.821 -7.612 1.00 0.00 C ATOM 1265 SD MET A 78 -10.773 -17.559 -7.727 1.00 0.00 S ATOM 1266 CE MET A 78 -9.796 -18.149 -9.139 1.00 0.00 C ATOM 0 H MET A 78 -9.272 -14.299 -9.862 1.00 0.00 H new ATOM 0 HA MET A 78 -11.650 -15.954 -10.000 1.00 0.00 H new ATOM 0 HB2 MET A 78 -10.741 -13.781 -8.090 1.00 0.00 H new ATOM 0 HB3 MET A 78 -12.135 -14.817 -7.860 1.00 0.00 H new ATOM 0 HG2 MET A 78 -9.244 -15.742 -8.034 1.00 0.00 H new ATOM 0 HG3 MET A 78 -10.168 -15.560 -6.557 1.00 0.00 H new ATOM 0 HE1 MET A 78 -9.938 -19.223 -9.256 1.00 0.00 H new ATOM 0 HE2 MET A 78 -10.122 -17.639 -10.046 1.00 0.00 H new ATOM 0 HE3 MET A 78 -8.741 -17.939 -8.964 1.00 0.00 H new ATOM 1276 N TYR A 79 -12.836 -14.304 -11.602 1.00 0.00 N ATOM 1277 CA TYR A 79 -13.822 -13.452 -12.264 1.00 0.00 C ATOM 1278 C TYR A 79 -15.185 -13.554 -11.571 1.00 0.00 C ATOM 1279 O TYR A 79 -15.541 -14.596 -11.012 1.00 0.00 O ATOM 1280 CB TYR A 79 -13.972 -13.851 -13.736 1.00 0.00 C ATOM 1281 CG TYR A 79 -12.782 -13.532 -14.615 1.00 0.00 C ATOM 1282 CD1 TYR A 79 -12.624 -12.237 -15.144 1.00 0.00 C ATOM 1283 CD2 TYR A 79 -11.853 -14.539 -14.932 1.00 0.00 C ATOM 1284 CE1 TYR A 79 -11.540 -11.947 -15.991 1.00 0.00 C ATOM 1285 CE2 TYR A 79 -10.762 -14.254 -15.768 1.00 0.00 C ATOM 1286 CZ TYR A 79 -10.596 -12.955 -16.299 1.00 0.00 C ATOM 1287 OH TYR A 79 -9.530 -12.693 -17.107 1.00 0.00 O ATOM 0 H TYR A 79 -12.653 -15.182 -12.089 1.00 0.00 H new ATOM 0 HA TYR A 79 -13.468 -12.423 -12.201 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -14.164 -14.923 -13.787 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -14.850 -13.350 -14.144 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -13.337 -11.464 -14.899 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -11.979 -15.534 -14.531 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -11.428 -10.956 -16.406 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -10.048 -15.029 -16.006 1.00 0.00 H new ATOM 0 HH TYR A 79 -8.698 -12.856 -16.615 1.00 0.00 H new ATOM 1297 N VAL A 80 -15.988 -12.496 -11.681 1.00 0.00 N ATOM 1298 CA VAL A 80 -17.322 -12.397 -11.100 1.00 0.00 C ATOM 1299 C VAL A 80 -18.269 -11.798 -12.140 1.00 0.00 C ATOM 1300 O VAL A 80 -17.862 -10.950 -12.936 1.00 0.00 O ATOM 1301 CB VAL A 80 -17.291 -11.572 -9.791 1.00 0.00 C ATOM 1302 CG1 VAL A 80 -16.661 -12.360 -8.632 1.00 0.00 C ATOM 1303 CG2 VAL A 80 -16.554 -10.226 -9.914 1.00 0.00 C ATOM 0 H VAL A 80 -15.716 -11.658 -12.195 1.00 0.00 H new ATOM 0 HA VAL A 80 -17.687 -13.388 -10.831 1.00 0.00 H new ATOM 0 HB VAL A 80 -18.341 -11.365 -9.584 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -16.659 -11.745 -7.732 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -17.240 -13.266 -8.451 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -15.637 -12.630 -8.890 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -16.577 -9.709 -8.954 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -15.519 -10.403 -10.206 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -17.043 -9.611 -10.669 1.00 0.00 H new ATOM 1313 N GLU A 81 -19.527 -12.238 -12.152 1.00 0.00 N ATOM 1314 CA GLU A 81 -20.555 -11.627 -12.988 1.00 0.00 C ATOM 1315 C GLU A 81 -21.086 -10.405 -12.249 1.00 0.00 C ATOM 1316 O GLU A 81 -21.259 -10.438 -11.026 1.00 0.00 O ATOM 1317 CB GLU A 81 -21.690 -12.618 -13.284 1.00 0.00 C ATOM 1318 CG GLU A 81 -21.287 -13.608 -14.382 1.00 0.00 C ATOM 1319 CD GLU A 81 -22.432 -14.581 -14.717 1.00 0.00 C ATOM 1320 OE1 GLU A 81 -22.581 -15.616 -14.030 1.00 0.00 O ATOM 1321 OE2 GLU A 81 -23.184 -14.330 -15.686 1.00 0.00 O ATOM 0 H GLU A 81 -19.858 -13.020 -11.588 1.00 0.00 H new ATOM 0 HA GLU A 81 -20.130 -11.336 -13.949 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -21.947 -13.163 -12.376 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -22.582 -12.072 -13.592 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -21.001 -13.060 -15.279 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -20.412 -14.172 -14.060 1.00 0.00 H new ATOM 1328 N VAL A 82 -21.350 -9.330 -12.988 1.00 0.00 N ATOM 1329 CA VAL A 82 -21.695 -8.037 -12.424 1.00 0.00 C ATOM 1330 C VAL A 82 -22.766 -7.368 -13.274 1.00 0.00 C ATOM 1331 O VAL A 82 -22.732 -7.458 -14.499 1.00 0.00 O ATOM 1332 CB VAL A 82 -20.445 -7.140 -12.300 1.00 0.00 C ATOM 1333 CG1 VAL A 82 -19.522 -7.620 -11.175 1.00 0.00 C ATOM 1334 CG2 VAL A 82 -19.619 -7.016 -13.592 1.00 0.00 C ATOM 0 H VAL A 82 -21.329 -9.337 -14.008 1.00 0.00 H new ATOM 0 HA VAL A 82 -22.093 -8.188 -11.421 1.00 0.00 H new ATOM 0 HB VAL A 82 -20.845 -6.152 -12.074 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -18.652 -6.967 -11.115 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -20.060 -7.596 -10.227 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -19.197 -8.640 -11.381 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -18.761 -6.368 -13.414 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -19.272 -8.003 -13.898 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -20.239 -6.589 -14.380 1.00 0.00 H new ATOM 1344 N ALA A 83 -23.689 -6.662 -12.631 1.00 0.00 N ATOM 1345 CA ALA A 83 -24.681 -5.828 -13.294 1.00 0.00 C ATOM 1346 C ALA A 83 -24.346 -4.375 -12.981 1.00 0.00 C ATOM 1347 O ALA A 83 -24.019 -4.041 -11.838 1.00 0.00 O ATOM 1348 CB ALA A 83 -26.089 -6.195 -12.824 1.00 0.00 C ATOM 0 H ALA A 83 -23.769 -6.654 -11.614 1.00 0.00 H new ATOM 0 HA ALA A 83 -24.659 -5.985 -14.372 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -26.818 -5.562 -13.330 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -26.290 -7.240 -13.060 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -26.164 -6.045 -11.747 1.00 0.00 H new ATOM 1354 N ASP A 84 -24.414 -3.518 -13.997 1.00 0.00 N ATOM 1355 CA ASP A 84 -23.982 -2.122 -13.930 1.00 0.00 C ATOM 1356 C ASP A 84 -25.058 -1.244 -13.300 1.00 0.00 C ATOM 1357 O ASP A 84 -25.658 -0.394 -13.957 1.00 0.00 O ATOM 1358 CB ASP A 84 -23.589 -1.624 -15.325 1.00 0.00 C ATOM 1359 CG ASP A 84 -23.109 -0.168 -15.313 1.00 0.00 C ATOM 1360 OD1 ASP A 84 -22.710 0.356 -14.253 1.00 0.00 O ATOM 1361 OD2 ASP A 84 -23.077 0.451 -16.399 1.00 0.00 O ATOM 0 H ASP A 84 -24.780 -3.780 -14.912 1.00 0.00 H new ATOM 0 HA ASP A 84 -23.103 -2.059 -13.289 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -22.800 -2.260 -15.726 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -24.444 -1.716 -15.995 1.00 0.00 H new ATOM 1366 N ILE A 85 -25.355 -1.473 -12.024 1.00 0.00 N ATOM 1367 CA ILE A 85 -26.323 -0.674 -11.271 1.00 0.00 C ATOM 1368 C ILE A 85 -25.942 0.820 -11.220 1.00 0.00 C ATOM 1369 O ILE A 85 -26.802 1.661 -10.957 1.00 0.00 O ATOM 1370 CB ILE A 85 -26.565 -1.274 -9.868 1.00 0.00 C ATOM 1371 CG1 ILE A 85 -25.315 -1.224 -8.963 1.00 0.00 C ATOM 1372 CG2 ILE A 85 -27.116 -2.707 -10.008 1.00 0.00 C ATOM 1373 CD1 ILE A 85 -25.574 -1.653 -7.513 1.00 0.00 C ATOM 0 H ILE A 85 -24.929 -2.222 -11.478 1.00 0.00 H new ATOM 0 HA ILE A 85 -27.270 -0.717 -11.809 1.00 0.00 H new ATOM 0 HB ILE A 85 -27.307 -0.654 -9.365 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -24.545 -1.868 -9.389 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -24.919 -0.209 -8.965 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -27.286 -3.130 -9.018 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -28.056 -2.683 -10.559 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -26.396 -3.323 -10.546 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -24.647 -1.590 -6.944 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -26.319 -0.995 -7.066 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -25.940 -2.680 -7.497 1.00 0.00 H new ATOM 1385 N GLY A 86 -24.679 1.160 -11.499 1.00 0.00 N ATOM 1386 CA GLY A 86 -24.187 2.526 -11.597 1.00 0.00 C ATOM 1387 C GLY A 86 -24.419 3.151 -12.978 1.00 0.00 C ATOM 1388 O GLY A 86 -24.110 4.331 -13.155 1.00 0.00 O ATOM 0 H GLY A 86 -23.952 0.464 -11.667 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -24.678 3.138 -10.841 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -23.120 2.539 -11.374 1.00 0.00 H new ATOM 1392 N GLY A 87 -24.953 2.404 -13.951 1.00 0.00 N ATOM 1393 CA GLY A 87 -25.113 2.853 -15.325 1.00 0.00 C ATOM 1394 C GLY A 87 -26.249 2.110 -16.018 1.00 0.00 C ATOM 1395 O GLY A 87 -27.407 2.512 -15.886 1.00 0.00 O ATOM 0 H GLY A 87 -25.290 1.454 -13.795 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -25.313 3.924 -15.339 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -24.184 2.695 -15.873 1.00 0.00 H new ATOM 1399 N LYS A 88 -25.927 1.056 -16.781 1.00 0.00 N ATOM 1400 CA LYS A 88 -26.898 0.379 -17.652 1.00 0.00 C ATOM 1401 C LYS A 88 -28.077 -0.207 -16.872 1.00 0.00 C ATOM 1402 O LYS A 88 -29.192 -0.202 -17.390 1.00 0.00 O ATOM 1403 CB LYS A 88 -26.221 -0.731 -18.479 1.00 0.00 C ATOM 1404 CG LYS A 88 -25.051 -0.268 -19.363 1.00 0.00 C ATOM 1405 CD LYS A 88 -25.447 0.787 -20.407 1.00 0.00 C ATOM 1406 CE LYS A 88 -24.249 1.101 -21.314 1.00 0.00 C ATOM 1407 NZ LYS A 88 -24.576 2.115 -22.348 1.00 0.00 N ATOM 0 H LYS A 88 -24.992 0.651 -16.812 1.00 0.00 H new ATOM 0 HA LYS A 88 -27.290 1.143 -18.324 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -25.858 -1.500 -17.797 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -26.973 -1.198 -19.115 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -24.266 0.140 -18.727 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -24.629 -1.133 -19.875 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -26.282 0.423 -21.006 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -25.785 1.696 -19.908 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -23.419 1.461 -20.705 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -23.914 0.185 -21.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -23.737 2.294 -22.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -25.350 1.763 -22.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -24.871 2.999 -21.886 1.00 0.00 H new ATOM 1421 N ASP A 89 -27.827 -0.696 -15.655 1.00 0.00 N ATOM 1422 CA ASP A 89 -28.735 -1.279 -14.656 1.00 0.00 C ATOM 1423 C ASP A 89 -29.507 -2.536 -15.081 1.00 0.00 C ATOM 1424 O ASP A 89 -29.808 -3.382 -14.239 1.00 0.00 O ATOM 1425 CB ASP A 89 -29.679 -0.200 -14.108 1.00 0.00 C ATOM 1426 CG ASP A 89 -30.619 -0.753 -13.024 1.00 0.00 C ATOM 1427 OD1 ASP A 89 -30.166 -0.965 -11.877 1.00 0.00 O ATOM 1428 OD2 ASP A 89 -31.829 -0.925 -13.298 1.00 0.00 O ATOM 0 H ASP A 89 -26.870 -0.694 -15.302 1.00 0.00 H new ATOM 0 HA ASP A 89 -28.077 -1.648 -13.869 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -29.091 0.620 -13.694 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -30.271 0.213 -14.925 1.00 0.00 H new ATOM 1433 N ASP A 90 -29.778 -2.708 -16.373 1.00 0.00 N ATOM 1434 CA ASP A 90 -30.660 -3.737 -16.925 1.00 0.00 C ATOM 1435 C ASP A 90 -29.873 -4.799 -17.706 1.00 0.00 C ATOM 1436 O ASP A 90 -30.458 -5.668 -18.354 1.00 0.00 O ATOM 1437 CB ASP A 90 -31.693 -3.040 -17.820 1.00 0.00 C ATOM 1438 CG ASP A 90 -32.798 -3.987 -18.322 1.00 0.00 C ATOM 1439 OD1 ASP A 90 -33.489 -4.622 -17.492 1.00 0.00 O ATOM 1440 OD2 ASP A 90 -33.035 -4.050 -19.551 1.00 0.00 O ATOM 0 H ASP A 90 -29.373 -2.111 -17.094 1.00 0.00 H new ATOM 0 HA ASP A 90 -31.161 -4.265 -16.114 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -32.150 -2.220 -17.266 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -31.183 -2.600 -18.677 1.00 0.00 H new ATOM 1445 N ASP A 91 -28.539 -4.744 -17.651 1.00 0.00 N ATOM 1446 CA ASP A 91 -27.652 -5.685 -18.339 1.00 0.00 C ATOM 1447 C ASP A 91 -26.499 -6.108 -17.429 1.00 0.00 C ATOM 1448 O ASP A 91 -26.232 -5.471 -16.404 1.00 0.00 O ATOM 1449 CB ASP A 91 -27.140 -5.089 -19.661 1.00 0.00 C ATOM 1450 CG ASP A 91 -26.574 -6.138 -20.641 1.00 0.00 C ATOM 1451 OD1 ASP A 91 -26.808 -7.355 -20.463 1.00 0.00 O ATOM 1452 OD2 ASP A 91 -25.922 -5.739 -21.631 1.00 0.00 O ATOM 0 H ASP A 91 -28.038 -4.033 -17.119 1.00 0.00 H new ATOM 0 HA ASP A 91 -28.224 -6.580 -18.583 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -27.956 -4.554 -20.147 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -26.364 -4.355 -19.441 1.00 0.00 H new ATOM 1457 N VAL A 92 -25.819 -7.183 -17.819 1.00 0.00 N ATOM 1458 CA VAL A 92 -24.837 -7.901 -17.018 1.00 0.00 C ATOM 1459 C VAL A 92 -23.577 -8.131 -17.866 1.00 0.00 C ATOM 1460 O VAL A 92 -23.651 -8.321 -19.084 1.00 0.00 O ATOM 1461 CB VAL A 92 -25.462 -9.233 -16.524 1.00 0.00 C ATOM 1462 CG1 VAL A 92 -24.585 -9.978 -15.506 1.00 0.00 C ATOM 1463 CG2 VAL A 92 -26.847 -9.044 -15.874 1.00 0.00 C ATOM 0 H VAL A 92 -25.945 -7.594 -18.744 1.00 0.00 H new ATOM 0 HA VAL A 92 -24.549 -7.324 -16.139 1.00 0.00 H new ATOM 0 HB VAL A 92 -25.551 -9.823 -17.436 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -25.082 -10.900 -15.203 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -23.623 -10.217 -15.960 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -24.427 -9.347 -14.631 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -27.232 -10.011 -15.549 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -26.758 -8.381 -15.013 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -27.533 -8.606 -16.599 1.00 0.00 H new ATOM 1473 N TYR A 93 -22.426 -8.124 -17.197 1.00 0.00 N ATOM 1474 CA TYR A 93 -21.081 -8.250 -17.739 1.00 0.00 C ATOM 1475 C TYR A 93 -20.264 -9.128 -16.775 1.00 0.00 C ATOM 1476 O TYR A 93 -20.802 -9.660 -15.800 1.00 0.00 O ATOM 1477 CB TYR A 93 -20.465 -6.843 -17.877 1.00 0.00 C ATOM 1478 CG TYR A 93 -21.240 -5.895 -18.776 1.00 0.00 C ATOM 1479 CD1 TYR A 93 -20.970 -5.860 -20.158 1.00 0.00 C ATOM 1480 CD2 TYR A 93 -22.240 -5.061 -18.236 1.00 0.00 C ATOM 1481 CE1 TYR A 93 -21.695 -4.998 -20.998 1.00 0.00 C ATOM 1482 CE2 TYR A 93 -22.980 -4.206 -19.072 1.00 0.00 C ATOM 1483 CZ TYR A 93 -22.707 -4.170 -20.461 1.00 0.00 C ATOM 1484 OH TYR A 93 -23.401 -3.344 -21.293 1.00 0.00 O ATOM 0 H TYR A 93 -22.412 -8.022 -16.182 1.00 0.00 H new ATOM 0 HA TYR A 93 -21.088 -8.714 -18.725 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -20.385 -6.398 -16.885 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -19.451 -6.942 -18.265 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -20.203 -6.498 -20.573 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -22.439 -5.079 -17.175 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -21.479 -4.968 -22.056 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -23.754 -3.579 -18.656 1.00 0.00 H new ATOM 0 HH TYR A 93 -24.306 -3.211 -20.941 1.00 0.00 H new ATOM 1494 N THR A 94 -18.959 -9.257 -17.014 1.00 0.00 N ATOM 1495 CA THR A 94 -18.031 -9.951 -16.127 1.00 0.00 C ATOM 1496 C THR A 94 -16.919 -8.966 -15.749 1.00 0.00 C ATOM 1497 O THR A 94 -16.545 -8.110 -16.556 1.00 0.00 O ATOM 1498 CB THR A 94 -17.503 -11.218 -16.830 1.00 0.00 C ATOM 1499 OG1 THR A 94 -18.586 -12.023 -17.261 1.00 0.00 O ATOM 1500 CG2 THR A 94 -16.609 -12.081 -15.932 1.00 0.00 C ATOM 0 H THR A 94 -18.511 -8.874 -17.846 1.00 0.00 H new ATOM 0 HA THR A 94 -18.516 -10.284 -15.209 1.00 0.00 H new ATOM 0 HB THR A 94 -16.906 -10.865 -17.671 1.00 0.00 H new ATOM 0 HG1 THR A 94 -18.241 -12.824 -17.708 1.00 0.00 H new ATOM 0 HG21 THR A 94 -16.272 -12.956 -16.488 1.00 0.00 H new ATOM 0 HG22 THR A 94 -15.745 -11.499 -15.612 1.00 0.00 H new ATOM 0 HG23 THR A 94 -17.174 -12.402 -15.057 1.00 0.00 H new ATOM 1508 N ALA A 95 -16.393 -9.096 -14.530 1.00 0.00 N ATOM 1509 CA ALA A 95 -15.319 -8.276 -13.995 1.00 0.00 C ATOM 1510 C ALA A 95 -14.335 -9.155 -13.233 1.00 0.00 C ATOM 1511 O ALA A 95 -14.674 -10.247 -12.778 1.00 0.00 O ATOM 1512 CB ALA A 95 -15.899 -7.192 -13.078 1.00 0.00 C ATOM 0 H ALA A 95 -16.719 -9.802 -13.869 1.00 0.00 H new ATOM 0 HA ALA A 95 -14.790 -7.789 -14.814 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -15.089 -6.581 -12.680 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -16.583 -6.562 -13.647 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -16.437 -7.662 -12.255 1.00 0.00 H new ATOM 1518 N LYS A 96 -13.104 -8.670 -13.088 1.00 0.00 N ATOM 1519 CA LYS A 96 -12.105 -9.313 -12.248 1.00 0.00 C ATOM 1520 C LYS A 96 -12.486 -8.972 -10.812 1.00 0.00 C ATOM 1521 O LYS A 96 -12.644 -7.786 -10.513 1.00 0.00 O ATOM 1522 CB LYS A 96 -10.687 -8.778 -12.540 1.00 0.00 C ATOM 1523 CG LYS A 96 -10.115 -8.956 -13.962 1.00 0.00 C ATOM 1524 CD LYS A 96 -10.753 -8.133 -15.103 1.00 0.00 C ATOM 1525 CE LYS A 96 -10.956 -6.629 -14.823 1.00 0.00 C ATOM 1526 NZ LYS A 96 -9.698 -5.838 -14.798 1.00 0.00 N ATOM 0 H LYS A 96 -12.775 -7.822 -13.550 1.00 0.00 H new ATOM 0 HA LYS A 96 -12.086 -10.387 -12.434 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -10.680 -7.713 -12.310 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -10.000 -9.259 -11.843 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -9.053 -8.714 -13.928 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -10.194 -10.011 -14.225 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -10.129 -8.236 -15.991 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -11.722 -8.571 -15.342 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -11.617 -6.215 -15.585 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -11.463 -6.515 -13.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -9.849 -4.962 -14.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -8.945 -6.397 -14.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -9.418 -5.600 -15.771 1.00 0.00 H new ATOM 1540 N LEU A 97 -12.576 -9.945 -9.901 1.00 0.00 N ATOM 1541 CA LEU A 97 -12.714 -9.623 -8.477 1.00 0.00 C ATOM 1542 C LEU A 97 -11.498 -8.809 -8.020 1.00 0.00 C ATOM 1543 O LEU A 97 -11.617 -7.907 -7.196 1.00 0.00 O ATOM 1544 CB LEU A 97 -12.843 -10.908 -7.649 1.00 0.00 C ATOM 1545 CG LEU A 97 -13.054 -10.670 -6.145 1.00 0.00 C ATOM 1546 CD1 LEU A 97 -14.362 -9.912 -5.873 1.00 0.00 C ATOM 1547 CD2 LEU A 97 -13.068 -12.027 -5.439 1.00 0.00 C ATOM 0 H LEU A 97 -12.557 -10.942 -10.116 1.00 0.00 H new ATOM 0 HA LEU A 97 -13.617 -9.031 -8.327 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -13.679 -11.492 -8.034 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -11.944 -11.508 -7.788 1.00 0.00 H new ATOM 0 HG LEU A 97 -12.240 -10.053 -5.763 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -14.479 -9.761 -4.800 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -14.333 -8.945 -6.374 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -15.204 -10.492 -6.252 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -13.217 -11.879 -4.369 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -13.879 -12.636 -5.837 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -12.118 -12.534 -5.606 1.00 0.00 H new ATOM 1559 N SER A 98 -10.346 -9.089 -8.632 1.00 0.00 N ATOM 1560 CA SER A 98 -9.075 -8.389 -8.522 1.00 0.00 C ATOM 1561 C SER A 98 -9.162 -6.880 -8.814 1.00 0.00 C ATOM 1562 O SER A 98 -8.216 -6.150 -8.517 1.00 0.00 O ATOM 1563 CB SER A 98 -8.105 -9.075 -9.497 1.00 0.00 C ATOM 1564 OG SER A 98 -8.286 -10.480 -9.430 1.00 0.00 O ATOM 0 H SER A 98 -10.278 -9.881 -9.271 1.00 0.00 H new ATOM 0 HA SER A 98 -8.732 -8.450 -7.489 1.00 0.00 H new ATOM 0 HB2 SER A 98 -8.283 -8.722 -10.513 1.00 0.00 H new ATOM 0 HB3 SER A 98 -7.076 -8.817 -9.246 1.00 0.00 H new ATOM 0 HG SER A 98 -7.965 -10.891 -10.260 1.00 0.00 H new ATOM 1570 N ASP A 99 -10.273 -6.405 -9.390 1.00 0.00 N ATOM 1571 CA ASP A 99 -10.470 -5.023 -9.836 1.00 0.00 C ATOM 1572 C ASP A 99 -11.724 -4.412 -9.192 1.00 0.00 C ATOM 1573 O ASP A 99 -12.220 -3.366 -9.608 1.00 0.00 O ATOM 1574 CB ASP A 99 -10.514 -5.041 -11.372 1.00 0.00 C ATOM 1575 CG ASP A 99 -10.292 -3.698 -12.077 1.00 0.00 C ATOM 1576 OD1 ASP A 99 -9.663 -2.777 -11.516 1.00 0.00 O ATOM 1577 OD2 ASP A 99 -10.639 -3.648 -13.282 1.00 0.00 O ATOM 0 H ASP A 99 -11.087 -6.994 -9.564 1.00 0.00 H new ATOM 0 HA ASP A 99 -9.650 -4.380 -9.517 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -9.759 -5.742 -11.727 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -11.483 -5.433 -11.681 1.00 0.00 H new ATOM 1582 N ILE A 100 -12.238 -5.068 -8.149 1.00 0.00 N ATOM 1583 CA ILE A 100 -13.459 -4.708 -7.437 1.00 0.00 C ATOM 1584 C ILE A 100 -13.150 -4.520 -5.953 1.00 0.00 C ATOM 1585 O ILE A 100 -12.206 -5.087 -5.398 1.00 0.00 O ATOM 1586 CB ILE A 100 -14.567 -5.760 -7.737 1.00 0.00 C ATOM 1587 CG1 ILE A 100 -15.392 -5.254 -8.938 1.00 0.00 C ATOM 1588 CG2 ILE A 100 -15.514 -6.113 -6.569 1.00 0.00 C ATOM 1589 CD1 ILE A 100 -16.378 -6.269 -9.513 1.00 0.00 C ATOM 0 H ILE A 100 -11.792 -5.901 -7.763 1.00 0.00 H new ATOM 0 HA ILE A 100 -13.851 -3.752 -7.785 1.00 0.00 H new ATOM 0 HB ILE A 100 -14.042 -6.693 -7.942 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -15.944 -4.365 -8.632 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -14.706 -4.947 -9.728 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -16.241 -6.855 -6.901 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -14.934 -6.519 -5.740 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -16.037 -5.215 -6.240 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -16.911 -5.823 -10.352 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -15.835 -7.150 -9.855 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -17.092 -6.559 -8.742 1.00 0.00 H new ATOM 1601 N GLU A 101 -14.008 -3.728 -5.322 1.00 0.00 N ATOM 1602 CA GLU A 101 -14.034 -3.453 -3.897 1.00 0.00 C ATOM 1603 C GLU A 101 -15.444 -3.803 -3.430 1.00 0.00 C ATOM 1604 O GLU A 101 -16.415 -3.242 -3.937 1.00 0.00 O ATOM 1605 CB GLU A 101 -13.688 -1.973 -3.677 1.00 0.00 C ATOM 1606 CG GLU A 101 -13.780 -1.554 -2.205 1.00 0.00 C ATOM 1607 CD GLU A 101 -13.185 -0.152 -1.969 1.00 0.00 C ATOM 1608 OE1 GLU A 101 -13.609 0.824 -2.631 1.00 0.00 O ATOM 1609 OE2 GLU A 101 -12.286 -0.014 -1.107 1.00 0.00 O ATOM 0 H GLU A 101 -14.746 -3.233 -5.823 1.00 0.00 H new ATOM 0 HA GLU A 101 -13.308 -4.034 -3.329 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -12.679 -1.782 -4.042 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -14.363 -1.355 -4.269 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -14.823 -1.564 -1.889 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -13.253 -2.281 -1.587 1.00 0.00 H new ATOM 1616 N ALA A 102 -15.567 -4.762 -2.512 1.00 0.00 N ATOM 1617 CA ALA A 102 -16.862 -5.214 -2.026 1.00 0.00 C ATOM 1618 C ALA A 102 -17.417 -4.194 -1.035 1.00 0.00 C ATOM 1619 O ALA A 102 -16.677 -3.662 -0.202 1.00 0.00 O ATOM 1620 CB ALA A 102 -16.713 -6.578 -1.353 1.00 0.00 C ATOM 0 H ALA A 102 -14.773 -5.243 -2.089 1.00 0.00 H new ATOM 0 HA ALA A 102 -17.553 -5.310 -2.863 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -17.685 -6.913 -0.990 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -16.326 -7.299 -2.073 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -16.021 -6.496 -0.514 1.00 0.00 H new ATOM 1626 N ILE A 103 -18.725 -3.961 -1.106 1.00 0.00 N ATOM 1627 CA ILE A 103 -19.437 -2.989 -0.282 1.00 0.00 C ATOM 1628 C ILE A 103 -20.653 -3.680 0.345 1.00 0.00 C ATOM 1629 O ILE A 103 -21.347 -4.456 -0.311 1.00 0.00 O ATOM 1630 CB ILE A 103 -19.810 -1.774 -1.166 1.00 0.00 C ATOM 1631 CG1 ILE A 103 -18.532 -0.990 -1.544 1.00 0.00 C ATOM 1632 CG2 ILE A 103 -20.837 -0.835 -0.501 1.00 0.00 C ATOM 1633 CD1 ILE A 103 -18.764 0.071 -2.617 1.00 0.00 C ATOM 0 H ILE A 103 -19.335 -4.457 -1.756 1.00 0.00 H new ATOM 0 HA ILE A 103 -18.821 -2.615 0.536 1.00 0.00 H new ATOM 0 HB ILE A 103 -20.286 -2.167 -2.064 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -18.132 -0.511 -0.651 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -17.775 -1.692 -1.895 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -21.057 -0.004 -1.171 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -21.754 -1.387 -0.294 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -20.427 -0.450 0.433 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -17.825 0.582 -2.833 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -19.135 -0.405 -3.525 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -19.497 0.795 -2.261 1.00 0.00 H new ATOM 1645 N ASP A 104 -20.923 -3.341 1.612 1.00 0.00 N ATOM 1646 CA ASP A 104 -22.124 -3.723 2.365 1.00 0.00 C ATOM 1647 C ASP A 104 -22.396 -5.238 2.353 1.00 0.00 C ATOM 1648 O ASP A 104 -23.544 -5.684 2.307 1.00 0.00 O ATOM 1649 CB ASP A 104 -23.322 -2.865 1.918 1.00 0.00 C ATOM 1650 CG ASP A 104 -24.552 -3.037 2.830 1.00 0.00 C ATOM 1651 OD1 ASP A 104 -24.411 -2.979 4.074 1.00 0.00 O ATOM 1652 OD2 ASP A 104 -25.685 -3.161 2.310 1.00 0.00 O ATOM 0 H ASP A 104 -20.283 -2.769 2.163 1.00 0.00 H new ATOM 0 HA ASP A 104 -21.947 -3.506 3.418 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -23.028 -1.816 1.907 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -23.593 -3.131 0.896 1.00 0.00 H new ATOM 1657 N VAL A 105 -21.326 -6.040 2.383 1.00 0.00 N ATOM 1658 CA VAL A 105 -21.404 -7.502 2.367 1.00 0.00 C ATOM 1659 C VAL A 105 -21.051 -8.084 3.747 1.00 0.00 C ATOM 1660 O VAL A 105 -20.587 -7.364 4.637 1.00 0.00 O ATOM 1661 CB VAL A 105 -20.560 -8.038 1.188 1.00 0.00 C ATOM 1662 CG1 VAL A 105 -19.046 -8.058 1.450 1.00 0.00 C ATOM 1663 CG2 VAL A 105 -21.070 -9.407 0.729 1.00 0.00 C ATOM 0 H VAL A 105 -20.370 -5.686 2.420 1.00 0.00 H new ATOM 0 HA VAL A 105 -22.425 -7.839 2.188 1.00 0.00 H new ATOM 0 HB VAL A 105 -20.696 -7.321 0.378 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -18.530 -8.448 0.573 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -18.699 -7.045 1.655 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -18.834 -8.695 2.309 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -20.460 -9.763 -0.101 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -21.006 -10.115 1.555 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -22.107 -9.319 0.406 1.00 0.00 H new ATOM 1673 N ASP A 106 -21.297 -9.385 3.936 1.00 0.00 N ATOM 1674 CA ASP A 106 -20.987 -10.102 5.170 1.00 0.00 C ATOM 1675 C ASP A 106 -19.478 -10.168 5.386 1.00 0.00 C ATOM 1676 O ASP A 106 -18.698 -10.184 4.431 1.00 0.00 O ATOM 1677 CB ASP A 106 -21.537 -11.529 5.110 1.00 0.00 C ATOM 1678 CG ASP A 106 -21.257 -12.298 6.411 1.00 0.00 C ATOM 1679 OD1 ASP A 106 -21.962 -12.054 7.416 1.00 0.00 O ATOM 1680 OD2 ASP A 106 -20.318 -13.122 6.437 1.00 0.00 O ATOM 0 H ASP A 106 -21.724 -9.975 3.222 1.00 0.00 H new ATOM 0 HA ASP A 106 -21.451 -9.563 5.996 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -22.611 -11.498 4.929 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -21.087 -12.058 4.270 1.00 0.00 H new ATOM 1685 N ASP A 107 -19.077 -10.252 6.651 1.00 0.00 N ATOM 1686 CA ASP A 107 -17.680 -10.271 7.067 1.00 0.00 C ATOM 1687 C ASP A 107 -16.897 -11.395 6.396 1.00 0.00 C ATOM 1688 O ASP A 107 -15.790 -11.150 5.928 1.00 0.00 O ATOM 1689 CB ASP A 107 -17.596 -10.407 8.590 1.00 0.00 C ATOM 1690 CG ASP A 107 -16.135 -10.478 9.064 1.00 0.00 C ATOM 1691 OD1 ASP A 107 -15.457 -9.427 9.095 1.00 0.00 O ATOM 1692 OD2 ASP A 107 -15.682 -11.572 9.470 1.00 0.00 O ATOM 0 H ASP A 107 -19.730 -10.310 7.432 1.00 0.00 H new ATOM 0 HA ASP A 107 -17.228 -9.329 6.755 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -18.093 -9.559 9.061 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -18.128 -11.304 8.907 1.00 0.00 H new ATOM 1697 N ASP A 108 -17.459 -12.602 6.280 1.00 0.00 N ATOM 1698 CA ASP A 108 -16.714 -13.731 5.719 1.00 0.00 C ATOM 1699 C ASP A 108 -16.552 -13.583 4.204 1.00 0.00 C ATOM 1700 O ASP A 108 -15.559 -14.034 3.634 1.00 0.00 O ATOM 1701 CB ASP A 108 -17.400 -15.065 6.053 1.00 0.00 C ATOM 1702 CG ASP A 108 -16.453 -16.279 5.986 1.00 0.00 C ATOM 1703 OD1 ASP A 108 -15.227 -16.143 6.199 1.00 0.00 O ATOM 1704 OD2 ASP A 108 -16.958 -17.411 5.814 1.00 0.00 O ATOM 0 H ASP A 108 -18.414 -12.820 6.563 1.00 0.00 H new ATOM 0 HA ASP A 108 -15.723 -13.731 6.173 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -17.828 -15.003 7.054 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -18.228 -15.222 5.361 1.00 0.00 H new ATOM 1709 N THR A 109 -17.501 -12.903 3.551 1.00 0.00 N ATOM 1710 CA THR A 109 -17.400 -12.565 2.137 1.00 0.00 C ATOM 1711 C THR A 109 -16.318 -11.501 1.960 1.00 0.00 C ATOM 1712 O THR A 109 -15.409 -11.686 1.150 1.00 0.00 O ATOM 1713 CB THR A 109 -18.771 -12.086 1.634 1.00 0.00 C ATOM 1714 OG1 THR A 109 -19.720 -13.112 1.821 1.00 0.00 O ATOM 1715 CG2 THR A 109 -18.761 -11.754 0.147 1.00 0.00 C ATOM 0 H THR A 109 -18.359 -12.574 3.993 1.00 0.00 H new ATOM 0 HA THR A 109 -17.116 -13.436 1.546 1.00 0.00 H new ATOM 0 HB THR A 109 -19.018 -11.187 2.199 1.00 0.00 H new ATOM 0 HG1 THR A 109 -19.310 -13.978 1.616 1.00 0.00 H new ATOM 0 HG21 THR A 109 -19.753 -11.421 -0.158 1.00 0.00 H new ATOM 0 HG22 THR A 109 -18.037 -10.962 -0.044 1.00 0.00 H new ATOM 0 HG23 THR A 109 -18.486 -12.642 -0.422 1.00 0.00 H new ATOM 1723 N GLN A 110 -16.378 -10.413 2.737 1.00 0.00 N ATOM 1724 CA GLN A 110 -15.416 -9.327 2.643 1.00 0.00 C ATOM 1725 C GLN A 110 -14.003 -9.869 2.893 1.00 0.00 C ATOM 1726 O GLN A 110 -13.096 -9.577 2.119 1.00 0.00 O ATOM 1727 CB GLN A 110 -15.805 -8.202 3.624 1.00 0.00 C ATOM 1728 CG GLN A 110 -15.385 -6.803 3.145 1.00 0.00 C ATOM 1729 CD GLN A 110 -13.870 -6.630 3.015 1.00 0.00 C ATOM 1730 OE1 GLN A 110 -13.142 -6.612 4.005 1.00 0.00 O ATOM 1731 NE2 GLN A 110 -13.360 -6.499 1.799 1.00 0.00 N ATOM 0 H GLN A 110 -17.097 -10.268 3.446 1.00 0.00 H new ATOM 0 HA GLN A 110 -15.424 -8.897 1.642 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -16.885 -8.218 3.774 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -15.346 -8.400 4.593 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -15.849 -6.604 2.179 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -15.769 -6.059 3.843 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -13.973 -6.515 0.984 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -12.354 -6.382 1.678 1.00 0.00 H new ATOM 1740 N GLU A 111 -13.818 -10.706 3.916 1.00 0.00 N ATOM 1741 CA GLU A 111 -12.524 -11.285 4.246 1.00 0.00 C ATOM 1742 C GLU A 111 -12.021 -12.206 3.130 1.00 0.00 C ATOM 1743 O GLU A 111 -10.831 -12.171 2.827 1.00 0.00 O ATOM 1744 CB GLU A 111 -12.608 -12.043 5.581 1.00 0.00 C ATOM 1745 CG GLU A 111 -12.684 -11.110 6.802 1.00 0.00 C ATOM 1746 CD GLU A 111 -11.338 -10.422 7.094 1.00 0.00 C ATOM 1747 OE1 GLU A 111 -10.466 -11.036 7.751 1.00 0.00 O ATOM 1748 OE2 GLU A 111 -11.140 -9.254 6.690 1.00 0.00 O ATOM 0 H GLU A 111 -14.570 -11.000 4.540 1.00 0.00 H new ATOM 0 HA GLU A 111 -11.805 -10.472 4.348 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -13.486 -12.689 5.570 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -11.737 -12.690 5.680 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -13.448 -10.352 6.630 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -12.994 -11.683 7.676 1.00 0.00 H new ATOM 1755 N ALA A 112 -12.890 -12.998 2.487 1.00 0.00 N ATOM 1756 CA ALA A 112 -12.472 -13.870 1.390 1.00 0.00 C ATOM 1757 C ALA A 112 -11.979 -13.038 0.200 1.00 0.00 C ATOM 1758 O ALA A 112 -10.951 -13.351 -0.401 1.00 0.00 O ATOM 1759 CB ALA A 112 -13.627 -14.786 0.972 1.00 0.00 C ATOM 0 H ALA A 112 -13.884 -13.050 2.710 1.00 0.00 H new ATOM 0 HA ALA A 112 -11.646 -14.492 1.734 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -13.303 -15.430 0.155 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -13.929 -15.400 1.820 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -14.471 -14.180 0.644 1.00 0.00 H new ATOM 1765 N ILE A 113 -12.700 -11.962 -0.123 1.00 0.00 N ATOM 1766 CA ILE A 113 -12.360 -11.062 -1.218 1.00 0.00 C ATOM 1767 C ILE A 113 -11.044 -10.346 -0.889 1.00 0.00 C ATOM 1768 O ILE A 113 -10.140 -10.306 -1.726 1.00 0.00 O ATOM 1769 CB ILE A 113 -13.543 -10.093 -1.456 1.00 0.00 C ATOM 1770 CG1 ILE A 113 -14.774 -10.890 -1.953 1.00 0.00 C ATOM 1771 CG2 ILE A 113 -13.164 -8.971 -2.442 1.00 0.00 C ATOM 1772 CD1 ILE A 113 -16.073 -10.087 -1.940 1.00 0.00 C ATOM 0 H ILE A 113 -13.547 -11.691 0.377 1.00 0.00 H new ATOM 0 HA ILE A 113 -12.200 -11.607 -2.148 1.00 0.00 H new ATOM 0 HB ILE A 113 -13.795 -9.610 -0.512 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -14.584 -11.239 -2.968 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -14.898 -11.775 -1.329 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -14.018 -8.309 -2.586 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -12.327 -8.401 -2.040 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -12.879 -9.408 -3.399 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -16.890 -10.711 -2.301 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -16.288 -9.760 -0.923 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -15.969 -9.216 -2.587 1.00 0.00 H new ATOM 1784 N ALA A 114 -10.915 -9.816 0.331 1.00 0.00 N ATOM 1785 CA ALA A 114 -9.707 -9.150 0.786 1.00 0.00 C ATOM 1786 C ALA A 114 -8.518 -10.106 0.711 1.00 0.00 C ATOM 1787 O ALA A 114 -7.454 -9.717 0.247 1.00 0.00 O ATOM 1788 CB ALA A 114 -9.900 -8.634 2.215 1.00 0.00 C ATOM 0 H ALA A 114 -11.657 -9.841 1.031 1.00 0.00 H new ATOM 0 HA ALA A 114 -9.503 -8.299 0.136 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -8.989 -8.136 2.548 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -10.729 -7.927 2.238 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -10.119 -9.471 2.878 1.00 0.00 H new ATOM 1794 N ASP A 115 -8.696 -11.362 1.120 1.00 0.00 N ATOM 1795 CA ASP A 115 -7.615 -12.342 1.131 1.00 0.00 C ATOM 1796 C ASP A 115 -7.165 -12.714 -0.284 1.00 0.00 C ATOM 1797 O ASP A 115 -5.965 -12.869 -0.506 1.00 0.00 O ATOM 1798 CB ASP A 115 -8.015 -13.594 1.911 1.00 0.00 C ATOM 1799 CG ASP A 115 -6.818 -14.547 2.053 1.00 0.00 C ATOM 1800 OD1 ASP A 115 -5.844 -14.192 2.755 1.00 0.00 O ATOM 1801 OD2 ASP A 115 -6.872 -15.674 1.516 1.00 0.00 O ATOM 0 H ASP A 115 -9.590 -11.726 1.451 1.00 0.00 H new ATOM 0 HA ASP A 115 -6.768 -11.875 1.635 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -8.382 -13.313 2.898 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -8.833 -14.102 1.400 1.00 0.00 H new ATOM 1806 N TRP A 116 -8.083 -12.788 -1.259 1.00 0.00 N ATOM 1807 CA TRP A 116 -7.711 -12.938 -2.666 1.00 0.00 C ATOM 1808 C TRP A 116 -6.865 -11.745 -3.118 1.00 0.00 C ATOM 1809 O TRP A 116 -5.812 -11.933 -3.729 1.00 0.00 O ATOM 1810 CB TRP A 116 -8.954 -13.096 -3.559 1.00 0.00 C ATOM 1811 CG TRP A 116 -8.692 -12.927 -5.030 1.00 0.00 C ATOM 1812 CD1 TRP A 116 -9.088 -11.869 -5.774 1.00 0.00 C ATOM 1813 CD2 TRP A 116 -7.894 -13.762 -5.932 1.00 0.00 C ATOM 1814 NE1 TRP A 116 -8.596 -11.991 -7.056 1.00 0.00 N ATOM 1815 CE2 TRP A 116 -7.846 -13.133 -7.212 1.00 0.00 C ATOM 1816 CE3 TRP A 116 -7.181 -14.973 -5.801 1.00 0.00 C ATOM 1817 CZ2 TRP A 116 -7.134 -13.670 -8.296 1.00 0.00 C ATOM 1818 CZ3 TRP A 116 -6.467 -15.528 -6.881 1.00 0.00 C ATOM 1819 CH2 TRP A 116 -6.440 -14.879 -8.128 1.00 0.00 C ATOM 0 H TRP A 116 -9.089 -12.746 -1.094 1.00 0.00 H new ATOM 0 HA TRP A 116 -7.117 -13.846 -2.766 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -9.383 -14.084 -3.391 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -9.702 -12.366 -3.250 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -9.698 -11.052 -5.417 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -8.768 -11.315 -7.800 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -7.183 -15.486 -4.851 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -7.120 -13.159 -9.248 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -5.936 -16.459 -6.750 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -5.889 -15.308 -8.952 1.00 0.00 H new ATOM 1830 N LEU A 117 -7.300 -10.520 -2.802 1.00 0.00 N ATOM 1831 CA LEU A 117 -6.589 -9.308 -3.198 1.00 0.00 C ATOM 1832 C LEU A 117 -5.192 -9.288 -2.570 1.00 0.00 C ATOM 1833 O LEU A 117 -4.212 -9.022 -3.267 1.00 0.00 O ATOM 1834 CB LEU A 117 -7.398 -8.062 -2.792 1.00 0.00 C ATOM 1835 CG LEU A 117 -8.683 -7.862 -3.621 1.00 0.00 C ATOM 1836 CD1 LEU A 117 -9.650 -6.928 -2.887 1.00 0.00 C ATOM 1837 CD2 LEU A 117 -8.371 -7.285 -5.006 1.00 0.00 C ATOM 0 H LEU A 117 -8.151 -10.346 -2.267 1.00 0.00 H new ATOM 0 HA LEU A 117 -6.474 -9.299 -4.282 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -7.664 -8.140 -1.738 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -6.767 -7.179 -2.897 1.00 0.00 H new ATOM 0 HG LEU A 117 -9.146 -8.840 -3.750 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -10.552 -6.796 -3.484 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -9.913 -7.362 -1.922 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -9.173 -5.960 -2.731 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -9.298 -7.157 -5.564 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -7.878 -6.319 -4.895 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -7.715 -7.968 -5.545 1.00 0.00 H new ATOM 1849 N TYR A 118 -5.086 -9.607 -1.277 1.00 0.00 N ATOM 1850 CA TYR A 118 -3.820 -9.644 -0.559 1.00 0.00 C ATOM 1851 C TYR A 118 -2.901 -10.711 -1.147 1.00 0.00 C ATOM 1852 O TYR A 118 -1.728 -10.425 -1.375 1.00 0.00 O ATOM 1853 CB TYR A 118 -4.041 -9.909 0.940 1.00 0.00 C ATOM 1854 CG TYR A 118 -4.867 -8.900 1.731 1.00 0.00 C ATOM 1855 CD1 TYR A 118 -5.013 -7.558 1.314 1.00 0.00 C ATOM 1856 CD2 TYR A 118 -5.486 -9.322 2.925 1.00 0.00 C ATOM 1857 CE1 TYR A 118 -5.777 -6.655 2.074 1.00 0.00 C ATOM 1858 CE2 TYR A 118 -6.251 -8.425 3.690 1.00 0.00 C ATOM 1859 CZ TYR A 118 -6.402 -7.085 3.267 1.00 0.00 C ATOM 1860 OH TYR A 118 -7.147 -6.223 4.016 1.00 0.00 O ATOM 0 H TYR A 118 -5.890 -9.849 -0.697 1.00 0.00 H new ATOM 0 HA TYR A 118 -3.346 -8.669 -0.670 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -4.519 -10.883 1.040 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -3.062 -9.984 1.414 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -4.535 -7.224 0.405 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -5.371 -10.344 3.255 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -5.887 -5.632 1.746 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -6.724 -8.760 4.602 1.00 0.00 H new ATOM 0 HH TYR A 118 -7.501 -6.693 4.800 1.00 0.00 H new ATOM 1870 N TRP A 119 -3.413 -11.913 -1.436 1.00 0.00 N ATOM 1871 CA TRP A 119 -2.636 -12.975 -2.059 1.00 0.00 C ATOM 1872 C TRP A 119 -2.090 -12.502 -3.404 1.00 0.00 C ATOM 1873 O TRP A 119 -0.898 -12.649 -3.671 1.00 0.00 O ATOM 1874 CB TRP A 119 -3.512 -14.223 -2.241 1.00 0.00 C ATOM 1875 CG TRP A 119 -2.963 -15.243 -3.192 1.00 0.00 C ATOM 1876 CD1 TRP A 119 -3.309 -15.358 -4.495 1.00 0.00 C ATOM 1877 CD2 TRP A 119 -1.954 -16.271 -2.957 1.00 0.00 C ATOM 1878 NE1 TRP A 119 -2.583 -16.372 -5.084 1.00 0.00 N ATOM 1879 CE2 TRP A 119 -1.743 -16.982 -4.178 1.00 0.00 C ATOM 1880 CE3 TRP A 119 -1.200 -16.680 -1.835 1.00 0.00 C ATOM 1881 CZ2 TRP A 119 -0.841 -18.052 -4.271 1.00 0.00 C ATOM 1882 CZ3 TRP A 119 -0.285 -17.747 -1.922 1.00 0.00 C ATOM 1883 CH2 TRP A 119 -0.107 -18.433 -3.136 1.00 0.00 C ATOM 0 H TRP A 119 -4.381 -12.171 -1.241 1.00 0.00 H new ATOM 0 HA TRP A 119 -1.795 -13.230 -1.415 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -3.656 -14.694 -1.268 1.00 0.00 H new ATOM 0 HB3 TRP A 119 -4.495 -13.911 -2.593 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -4.044 -14.747 -4.998 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -2.658 -16.637 -6.066 1.00 0.00 H new ATOM 0 HE3 TRP A 119 -1.327 -16.166 -0.894 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -0.712 -18.577 -5.206 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 0.283 -18.040 -1.051 1.00 0.00 H new ATOM 0 HH2 TRP A 119 0.594 -19.253 -3.196 1.00 0.00 H new ATOM 1894 N LEU A 120 -2.944 -11.906 -4.239 1.00 0.00 N ATOM 1895 CA LEU A 120 -2.572 -11.537 -5.594 1.00 0.00 C ATOM 1896 C LEU A 120 -1.463 -10.487 -5.552 1.00 0.00 C ATOM 1897 O LEU A 120 -0.479 -10.591 -6.285 1.00 0.00 O ATOM 1898 CB LEU A 120 -3.819 -11.030 -6.336 1.00 0.00 C ATOM 1899 CG LEU A 120 -3.579 -10.780 -7.835 1.00 0.00 C ATOM 1900 CD1 LEU A 120 -3.259 -12.081 -8.579 1.00 0.00 C ATOM 1901 CD2 LEU A 120 -4.830 -10.145 -8.446 1.00 0.00 C ATOM 0 H LEU A 120 -3.905 -11.670 -3.991 1.00 0.00 H new ATOM 0 HA LEU A 120 -2.185 -12.401 -6.135 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -4.622 -11.758 -6.221 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -4.158 -10.105 -5.871 1.00 0.00 H new ATOM 0 HG LEU A 120 -2.723 -10.112 -7.935 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -3.096 -11.866 -9.635 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -2.360 -12.530 -8.157 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -4.094 -12.774 -8.475 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -4.665 -9.966 -9.508 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -5.678 -10.817 -8.319 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -5.039 -9.199 -7.947 1.00 0.00 H new ATOM 1913 N ALA A 121 -1.595 -9.513 -4.648 1.00 0.00 N ATOM 1914 CA ALA A 121 -0.603 -8.477 -4.419 1.00 0.00 C ATOM 1915 C ALA A 121 0.699 -9.041 -3.825 1.00 0.00 C ATOM 1916 O ALA A 121 1.784 -8.597 -4.202 1.00 0.00 O ATOM 1917 CB ALA A 121 -1.233 -7.430 -3.497 1.00 0.00 C ATOM 0 H ALA A 121 -2.414 -9.427 -4.046 1.00 0.00 H new ATOM 0 HA ALA A 121 -0.319 -8.024 -5.369 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -0.513 -6.635 -3.304 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -2.118 -7.010 -3.975 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -1.517 -7.899 -2.555 1.00 0.00 H new