USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=20 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 175:sc= -0.269 (180deg=-0.291) USER MOD Set 1.2: A 74 CYS SG : rot 77:sc= 0.215 USER MOD Set 2.1: A 47 LYS NZ :NH3+ 154:sc= 1.04 (180deg=0) USER MOD Set 2.2: A 62 THR OG1 : rot -153:sc= 0.904 USER MOD Single : A 25 LYS NZ :NH3+ 157:sc= 1.56 (180deg=1.05) USER MOD Single : A 30 MET CE :methyl 168:sc= -1.21 (180deg=-1.77) 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= 0.485 USER MOD Single : A 39 THR OG1 : rot 63:sc= 1.27 USER MOD Single : A 45 MET CE :methyl -154:sc= -0.0703 (180deg=-0.528) USER MOD Single : A 49 LYS NZ :NH3+ 152:sc= 1.29 (180deg=1.22) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 174:sc= 0.73 (180deg=0.312) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 161:sc= -0.0147 (180deg=-0.148) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 165:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 101:sc= 0.827 USER MOD Single : A 109 THR OG1 : rot 99:sc= 1.66 USER MOD Single : A 110 GLN : amide:sc= -0.319 X(o=-0.32,f=-0.32) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 346 N ALA A 22 -4.802 -29.526 -3.505 1.00 0.00 N ATOM 347 CA ALA A 22 -4.269 -29.058 -4.778 1.00 0.00 C ATOM 348 C ALA A 22 -2.808 -29.481 -4.954 1.00 0.00 C ATOM 349 O ALA A 22 -2.042 -29.543 -3.988 1.00 0.00 O ATOM 350 CB ALA A 22 -4.387 -27.531 -4.874 1.00 0.00 C ATOM 0 HA ALA A 22 -4.855 -29.514 -5.576 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.985 -27.194 -5.830 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.435 -27.242 -4.799 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -3.824 -27.071 -4.062 1.00 0.00 H new ATOM 356 N GLU A 23 -2.413 -29.683 -6.213 1.00 0.00 N ATOM 357 CA GLU A 23 -1.029 -29.936 -6.624 1.00 0.00 C ATOM 358 C GLU A 23 -0.655 -29.096 -7.860 1.00 0.00 C ATOM 359 O GLU A 23 0.511 -29.076 -8.260 1.00 0.00 O ATOM 360 CB GLU A 23 -0.832 -31.437 -6.914 1.00 0.00 C ATOM 361 CG GLU A 23 -1.019 -32.334 -5.681 1.00 0.00 C ATOM 362 CD GLU A 23 -0.685 -33.803 -5.999 1.00 0.00 C ATOM 363 OE1 GLU A 23 -1.566 -34.546 -6.487 1.00 0.00 O ATOM 364 OE2 GLU A 23 0.462 -34.240 -5.747 1.00 0.00 O ATOM 0 H GLU A 23 -3.065 -29.675 -6.997 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.369 -29.642 -5.808 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.537 -31.744 -7.686 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.169 -31.592 -7.317 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.380 -31.981 -4.872 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.048 -32.261 -5.329 1.00 0.00 H new ATOM 371 N ASP A 24 -1.621 -28.399 -8.473 1.00 0.00 N ATOM 372 CA ASP A 24 -1.472 -27.700 -9.750 1.00 0.00 C ATOM 373 C ASP A 24 -2.279 -26.400 -9.702 1.00 0.00 C ATOM 374 O ASP A 24 -3.275 -26.327 -8.979 1.00 0.00 O ATOM 375 CB ASP A 24 -1.996 -28.620 -10.865 1.00 0.00 C ATOM 376 CG ASP A 24 -1.953 -27.941 -12.235 1.00 0.00 C ATOM 377 OD1 ASP A 24 -2.934 -27.262 -12.607 1.00 0.00 O ATOM 378 OD2 ASP A 24 -0.930 -28.049 -12.943 1.00 0.00 O ATOM 0 H ASP A 24 -2.557 -28.305 -8.078 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.427 -27.456 -9.943 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.399 -29.532 -10.893 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.020 -28.916 -10.639 1.00 0.00 H new ATOM 383 N LYS A 25 -1.869 -25.378 -10.465 1.00 0.00 N ATOM 384 CA LYS A 25 -2.530 -24.070 -10.497 1.00 0.00 C ATOM 385 C LYS A 25 -4.040 -24.142 -10.754 1.00 0.00 C ATOM 386 O LYS A 25 -4.771 -23.295 -10.243 1.00 0.00 O ATOM 387 CB LYS A 25 -1.825 -23.089 -11.465 1.00 0.00 C ATOM 388 CG LYS A 25 -2.080 -23.257 -12.977 1.00 0.00 C ATOM 389 CD LYS A 25 -1.326 -24.427 -13.627 1.00 0.00 C ATOM 390 CE LYS A 25 -1.993 -24.828 -14.951 1.00 0.00 C ATOM 391 NZ LYS A 25 -2.069 -26.299 -15.107 1.00 0.00 N ATOM 0 H LYS A 25 -1.060 -25.439 -11.083 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.427 -23.670 -9.488 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.118 -22.077 -11.187 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.751 -23.167 -11.297 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.149 -23.396 -13.138 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.799 -22.334 -13.484 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.289 -24.144 -13.807 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.311 -25.279 -12.948 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.997 -24.406 -14.994 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.432 -24.403 -15.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.833 -26.539 -15.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.165 -26.656 -15.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.263 -26.736 -14.184 1.00 0.00 H new ATOM 405 N GLU A 26 -4.526 -25.128 -11.513 1.00 0.00 N ATOM 406 CA GLU A 26 -5.954 -25.263 -11.785 1.00 0.00 C ATOM 407 C GLU A 26 -6.665 -25.722 -10.511 1.00 0.00 C ATOM 408 O GLU A 26 -7.702 -25.178 -10.138 1.00 0.00 O ATOM 409 CB GLU A 26 -6.178 -26.261 -12.935 1.00 0.00 C ATOM 410 CG GLU A 26 -5.668 -25.710 -14.278 1.00 0.00 C ATOM 411 CD GLU A 26 -5.649 -26.766 -15.400 1.00 0.00 C ATOM 412 OE1 GLU A 26 -6.688 -27.406 -15.679 1.00 0.00 O ATOM 413 OE2 GLU A 26 -4.586 -26.935 -16.043 1.00 0.00 O ATOM 0 H GLU A 26 -3.947 -25.845 -11.950 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.367 -24.302 -12.091 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.667 -27.197 -12.709 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.241 -26.490 -13.016 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.299 -24.876 -14.584 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.661 -25.315 -14.142 1.00 0.00 H new ATOM 420 N GLU A 27 -6.079 -26.677 -9.785 1.00 0.00 N ATOM 421 CA GLU A 27 -6.640 -27.188 -8.539 1.00 0.00 C ATOM 422 C GLU A 27 -6.568 -26.112 -7.449 1.00 0.00 C ATOM 423 O GLU A 27 -7.492 -25.972 -6.647 1.00 0.00 O ATOM 424 CB GLU A 27 -5.900 -28.462 -8.109 1.00 0.00 C ATOM 425 CG GLU A 27 -5.939 -29.576 -9.166 1.00 0.00 C ATOM 426 CD GLU A 27 -7.369 -30.033 -9.516 1.00 0.00 C ATOM 427 OE1 GLU A 27 -8.114 -30.471 -8.612 1.00 0.00 O ATOM 428 OE2 GLU A 27 -7.751 -29.987 -10.707 1.00 0.00 O ATOM 0 H GLU A 27 -5.198 -27.118 -10.049 1.00 0.00 H new ATOM 0 HA GLU A 27 -7.688 -27.443 -8.696 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -4.861 -28.214 -7.891 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.340 -28.834 -7.183 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.445 -29.225 -10.072 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.370 -30.432 -8.803 1.00 0.00 H new ATOM 435 N ARG A 28 -5.511 -25.293 -7.449 1.00 0.00 N ATOM 436 CA ARG A 28 -5.416 -24.117 -6.588 1.00 0.00 C ATOM 437 C ARG A 28 -6.567 -23.160 -6.866 1.00 0.00 C ATOM 438 O ARG A 28 -7.134 -22.617 -5.917 1.00 0.00 O ATOM 439 CB ARG A 28 -4.032 -23.467 -6.778 1.00 0.00 C ATOM 440 CG ARG A 28 -3.797 -22.159 -6.000 1.00 0.00 C ATOM 441 CD ARG A 28 -4.277 -20.868 -6.694 1.00 0.00 C ATOM 442 NE ARG A 28 -3.635 -20.641 -8.003 1.00 0.00 N ATOM 443 CZ ARG A 28 -4.172 -20.019 -9.059 1.00 0.00 C ATOM 444 NH1 ARG A 28 -5.401 -19.512 -9.031 1.00 0.00 N ATOM 445 NH2 ARG A 28 -3.446 -19.891 -10.154 1.00 0.00 N ATOM 0 H ARG A 28 -4.697 -25.430 -8.049 1.00 0.00 H new ATOM 0 HA ARG A 28 -5.506 -24.404 -5.540 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.269 -24.187 -6.482 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.887 -23.268 -7.840 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.298 -22.238 -5.035 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.730 -22.065 -5.799 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.357 -20.916 -6.829 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.074 -20.017 -6.044 1.00 0.00 H new ATOM 0 HE ARG A 28 -2.685 -20.994 -8.114 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -5.966 -19.591 -8.186 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -5.779 -19.044 -9.855 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.497 -20.263 -10.183 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -3.834 -19.421 -10.971 1.00 0.00 H new ATOM 459 N ALA A 29 -6.927 -22.952 -8.135 1.00 0.00 N ATOM 460 CA ALA A 29 -8.051 -22.096 -8.476 1.00 0.00 C ATOM 461 C ALA A 29 -9.348 -22.691 -7.926 1.00 0.00 C ATOM 462 O ALA A 29 -10.166 -21.941 -7.401 1.00 0.00 O ATOM 463 CB ALA A 29 -8.123 -21.871 -9.987 1.00 0.00 C ATOM 0 H ALA A 29 -6.453 -23.367 -8.938 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.908 -21.120 -8.013 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -8.972 -21.228 -10.219 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.203 -21.396 -10.328 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.245 -22.829 -10.492 1.00 0.00 H new ATOM 469 N MET A 30 -9.522 -24.019 -7.971 1.00 0.00 N ATOM 470 CA MET A 30 -10.688 -24.674 -7.377 1.00 0.00 C ATOM 471 C MET A 30 -10.744 -24.441 -5.867 1.00 0.00 C ATOM 472 O MET A 30 -11.820 -24.141 -5.354 1.00 0.00 O ATOM 473 CB MET A 30 -10.722 -26.182 -7.677 1.00 0.00 C ATOM 474 CG MET A 30 -10.724 -26.559 -9.164 1.00 0.00 C ATOM 475 SD MET A 30 -12.124 -25.970 -10.158 1.00 0.00 S ATOM 476 CE MET A 30 -11.559 -24.318 -10.656 1.00 0.00 C ATOM 0 H MET A 30 -8.865 -24.660 -8.415 1.00 0.00 H new ATOM 0 HA MET A 30 -11.566 -24.221 -7.837 1.00 0.00 H new ATOM 0 HB2 MET A 30 -9.859 -26.649 -7.203 1.00 0.00 H new ATOM 0 HB3 MET A 30 -11.611 -26.608 -7.211 1.00 0.00 H new ATOM 0 HG2 MET A 30 -9.806 -26.178 -9.612 1.00 0.00 H new ATOM 0 HG3 MET A 30 -10.688 -27.646 -9.239 1.00 0.00 H new ATOM 0 HE1 MET A 30 -12.214 -23.929 -11.436 1.00 0.00 H new ATOM 0 HE2 MET A 30 -11.583 -23.650 -9.795 1.00 0.00 H new ATOM 0 HE3 MET A 30 -10.540 -24.382 -11.037 1.00 0.00 H new ATOM 486 N GLY A 31 -9.616 -24.539 -5.154 1.00 0.00 N ATOM 487 CA GLY A 31 -9.582 -24.336 -3.708 1.00 0.00 C ATOM 488 C GLY A 31 -10.001 -22.913 -3.338 1.00 0.00 C ATOM 489 O GLY A 31 -10.912 -22.727 -2.524 1.00 0.00 O ATOM 0 H GLY A 31 -8.708 -24.760 -5.563 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -10.246 -25.051 -3.222 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -8.577 -24.530 -3.335 1.00 0.00 H new ATOM 493 N TRP A 32 -9.388 -21.913 -3.984 1.00 0.00 N ATOM 494 CA TRP A 32 -9.763 -20.515 -3.814 1.00 0.00 C ATOM 495 C TRP A 32 -11.242 -20.302 -4.148 1.00 0.00 C ATOM 496 O TRP A 32 -11.962 -19.711 -3.346 1.00 0.00 O ATOM 497 CB TRP A 32 -8.875 -19.609 -4.678 1.00 0.00 C ATOM 498 CG TRP A 32 -7.581 -19.169 -4.063 1.00 0.00 C ATOM 499 CD1 TRP A 32 -6.396 -19.815 -4.124 1.00 0.00 C ATOM 500 CD2 TRP A 32 -7.332 -17.972 -3.264 1.00 0.00 C ATOM 501 NE1 TRP A 32 -5.420 -19.073 -3.487 1.00 0.00 N ATOM 502 CE2 TRP A 32 -5.944 -17.922 -2.937 1.00 0.00 C ATOM 503 CE3 TRP A 32 -8.147 -16.934 -2.764 1.00 0.00 C ATOM 504 CZ2 TRP A 32 -5.392 -16.881 -2.176 1.00 0.00 C ATOM 505 CZ3 TRP A 32 -7.612 -15.919 -1.948 1.00 0.00 C ATOM 506 CH2 TRP A 32 -6.236 -15.883 -1.665 1.00 0.00 C ATOM 0 H TRP A 32 -8.619 -22.057 -4.638 1.00 0.00 H new ATOM 0 HA TRP A 32 -9.611 -20.247 -2.768 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -8.652 -20.134 -5.607 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -9.448 -18.720 -4.943 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -6.235 -20.771 -4.601 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -4.438 -19.342 -3.431 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -9.198 -16.918 -3.011 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -4.329 -16.848 -1.985 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -8.264 -15.163 -1.537 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -5.829 -15.089 -1.056 1.00 0.00 H new ATOM 517 N TYR A 33 -11.709 -20.805 -5.295 1.00 0.00 N ATOM 518 CA TYR A 33 -13.087 -20.630 -5.737 1.00 0.00 C ATOM 519 C TYR A 33 -14.054 -21.197 -4.699 1.00 0.00 C ATOM 520 O TYR A 33 -15.019 -20.526 -4.337 1.00 0.00 O ATOM 521 CB TYR A 33 -13.297 -21.314 -7.099 1.00 0.00 C ATOM 522 CG TYR A 33 -14.756 -21.422 -7.506 1.00 0.00 C ATOM 523 CD1 TYR A 33 -15.374 -20.377 -8.213 1.00 0.00 C ATOM 524 CD2 TYR A 33 -15.513 -22.546 -7.119 1.00 0.00 C ATOM 525 CE1 TYR A 33 -16.736 -20.457 -8.550 1.00 0.00 C ATOM 526 CE2 TYR A 33 -16.887 -22.609 -7.404 1.00 0.00 C ATOM 527 CZ TYR A 33 -17.505 -21.566 -8.134 1.00 0.00 C ATOM 528 OH TYR A 33 -18.835 -21.614 -8.432 1.00 0.00 O ATOM 0 H TYR A 33 -11.136 -21.346 -5.942 1.00 0.00 H new ATOM 0 HA TYR A 33 -13.287 -19.564 -5.848 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -12.755 -20.757 -7.863 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -12.863 -22.313 -7.065 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -14.800 -19.508 -8.499 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -15.034 -23.363 -6.600 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -17.195 -19.669 -9.128 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -17.471 -23.452 -7.066 1.00 0.00 H new ATOM 0 HH TYR A 33 -19.220 -22.442 -8.077 1.00 0.00 H new ATOM 538 N TYR A 34 -13.795 -22.418 -4.224 1.00 0.00 N ATOM 539 CA TYR A 34 -14.688 -23.158 -3.357 1.00 0.00 C ATOM 540 C TYR A 34 -14.960 -22.375 -2.075 1.00 0.00 C ATOM 541 O TYR A 34 -16.125 -22.099 -1.775 1.00 0.00 O ATOM 542 CB TYR A 34 -14.066 -24.535 -3.084 1.00 0.00 C ATOM 543 CG TYR A 34 -14.671 -25.267 -1.907 1.00 0.00 C ATOM 544 CD1 TYR A 34 -15.936 -25.871 -2.021 1.00 0.00 C ATOM 545 CD2 TYR A 34 -13.975 -25.305 -0.686 1.00 0.00 C ATOM 546 CE1 TYR A 34 -16.506 -26.520 -0.911 1.00 0.00 C ATOM 547 CE2 TYR A 34 -14.538 -25.951 0.429 1.00 0.00 C ATOM 548 CZ TYR A 34 -15.810 -26.563 0.320 1.00 0.00 C ATOM 549 OH TYR A 34 -16.374 -27.194 1.388 1.00 0.00 O ATOM 0 H TYR A 34 -12.936 -22.923 -4.442 1.00 0.00 H new ATOM 0 HA TYR A 34 -15.656 -23.304 -3.837 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -14.173 -25.153 -3.976 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -12.997 -24.410 -2.909 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -16.469 -25.837 -2.960 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -13.005 -24.837 -0.604 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -17.476 -26.986 -0.998 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -14.002 -25.980 1.366 1.00 0.00 H new ATOM 0 HH TYR A 34 -15.770 -27.137 2.158 1.00 0.00 H new ATOM 559 N TYR A 35 -13.914 -21.989 -1.332 1.00 0.00 N ATOM 560 CA TYR A 35 -14.139 -21.305 -0.062 1.00 0.00 C ATOM 561 C TYR A 35 -14.710 -19.905 -0.313 1.00 0.00 C ATOM 562 O TYR A 35 -15.566 -19.453 0.448 1.00 0.00 O ATOM 563 CB TYR A 35 -12.875 -21.273 0.817 1.00 0.00 C ATOM 564 CG TYR A 35 -12.069 -19.992 0.725 1.00 0.00 C ATOM 565 CD1 TYR A 35 -11.129 -19.829 -0.305 1.00 0.00 C ATOM 566 CD2 TYR A 35 -12.321 -18.932 1.619 1.00 0.00 C ATOM 567 CE1 TYR A 35 -10.437 -18.616 -0.449 1.00 0.00 C ATOM 568 CE2 TYR A 35 -11.639 -17.711 1.479 1.00 0.00 C ATOM 569 CZ TYR A 35 -10.694 -17.546 0.440 1.00 0.00 C ATOM 570 OH TYR A 35 -10.037 -16.363 0.287 1.00 0.00 O ATOM 0 H TYR A 35 -12.936 -22.134 -1.581 1.00 0.00 H new ATOM 0 HA TYR A 35 -14.876 -21.875 0.504 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -13.168 -21.428 1.856 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -12.234 -22.110 0.538 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -10.937 -20.641 -0.990 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -13.041 -19.058 2.414 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -9.709 -18.500 -1.238 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -11.836 -16.900 2.164 1.00 0.00 H new ATOM 0 HH TYR A 35 -9.354 -16.456 -0.410 1.00 0.00 H new ATOM 580 N LEU A 36 -14.261 -19.219 -1.371 1.00 0.00 N ATOM 581 CA LEU A 36 -14.673 -17.853 -1.648 1.00 0.00 C ATOM 582 C LEU A 36 -16.161 -17.816 -1.979 1.00 0.00 C ATOM 583 O LEU A 36 -16.897 -17.068 -1.344 1.00 0.00 O ATOM 584 CB LEU A 36 -13.820 -17.281 -2.788 1.00 0.00 C ATOM 585 CG LEU A 36 -14.210 -15.861 -3.231 1.00 0.00 C ATOM 586 CD1 LEU A 36 -14.139 -14.830 -2.097 1.00 0.00 C ATOM 587 CD2 LEU A 36 -13.261 -15.435 -4.353 1.00 0.00 C ATOM 0 H LEU A 36 -13.605 -19.601 -2.052 1.00 0.00 H new ATOM 0 HA LEU A 36 -14.517 -17.231 -0.767 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.776 -17.276 -2.475 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -13.892 -17.948 -3.647 1.00 0.00 H new ATOM 0 HG LEU A 36 -15.248 -15.891 -3.562 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -14.426 -13.850 -2.478 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -14.819 -15.122 -1.297 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -13.121 -14.785 -1.710 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -13.518 -14.429 -4.685 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -12.235 -15.445 -3.985 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -13.353 -16.127 -5.190 1.00 0.00 H new ATOM 599 N ASP A 37 -16.626 -18.647 -2.913 1.00 0.00 N ATOM 600 CA ASP A 37 -18.036 -18.712 -3.295 1.00 0.00 C ATOM 601 C ASP A 37 -18.910 -19.100 -2.101 1.00 0.00 C ATOM 602 O ASP A 37 -19.989 -18.537 -1.918 1.00 0.00 O ATOM 603 CB ASP A 37 -18.229 -19.716 -4.434 1.00 0.00 C ATOM 604 CG ASP A 37 -19.718 -19.864 -4.784 1.00 0.00 C ATOM 605 OD1 ASP A 37 -20.281 -18.947 -5.422 1.00 0.00 O ATOM 606 OD2 ASP A 37 -20.321 -20.907 -4.444 1.00 0.00 O ATOM 0 H ASP A 37 -16.032 -19.297 -3.428 1.00 0.00 H new ATOM 0 HA ASP A 37 -18.341 -17.722 -3.635 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -17.675 -19.387 -5.313 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -17.821 -20.684 -4.144 1.00 0.00 H new ATOM 611 N ASP A 38 -18.424 -20.012 -1.252 1.00 0.00 N ATOM 612 CA ASP A 38 -19.104 -20.395 -0.012 1.00 0.00 C ATOM 613 C ASP A 38 -19.163 -19.251 1.017 1.00 0.00 C ATOM 614 O ASP A 38 -20.072 -19.224 1.849 1.00 0.00 O ATOM 615 CB ASP A 38 -18.416 -21.619 0.604 1.00 0.00 C ATOM 616 CG ASP A 38 -19.114 -22.070 1.898 1.00 0.00 C ATOM 617 OD1 ASP A 38 -20.245 -22.602 1.826 1.00 0.00 O ATOM 618 OD2 ASP A 38 -18.519 -21.942 2.992 1.00 0.00 O ATOM 0 H ASP A 38 -17.545 -20.506 -1.407 1.00 0.00 H new ATOM 0 HA ASP A 38 -20.134 -20.638 -0.275 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -18.417 -22.438 -0.115 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -17.373 -21.383 0.816 1.00 0.00 H new ATOM 623 N THR A 39 -18.233 -18.293 0.959 1.00 0.00 N ATOM 624 CA THR A 39 -18.138 -17.196 1.921 1.00 0.00 C ATOM 625 C THR A 39 -18.905 -15.956 1.441 1.00 0.00 C ATOM 626 O THR A 39 -19.522 -15.280 2.265 1.00 0.00 O ATOM 627 CB THR A 39 -16.653 -16.865 2.173 1.00 0.00 C ATOM 628 OG1 THR A 39 -15.975 -18.010 2.651 1.00 0.00 O ATOM 629 CG2 THR A 39 -16.473 -15.740 3.199 1.00 0.00 C ATOM 0 H THR A 39 -17.517 -18.259 0.233 1.00 0.00 H new ATOM 0 HA THR A 39 -18.600 -17.511 2.857 1.00 0.00 H new ATOM 0 HB THR A 39 -16.239 -16.537 1.219 1.00 0.00 H new ATOM 0 HG1 THR A 39 -15.991 -18.710 1.965 1.00 0.00 H new ATOM 0 HG21 THR A 39 -15.410 -15.544 3.342 1.00 0.00 H new ATOM 0 HG22 THR A 39 -16.963 -14.836 2.838 1.00 0.00 H new ATOM 0 HG23 THR A 39 -16.917 -16.039 4.148 1.00 0.00 H new ATOM 637 N LEU A 40 -18.875 -15.654 0.137 1.00 0.00 N ATOM 638 CA LEU A 40 -19.488 -14.456 -0.430 1.00 0.00 C ATOM 639 C LEU A 40 -20.981 -14.437 -0.106 1.00 0.00 C ATOM 640 O LEU A 40 -21.729 -15.330 -0.506 1.00 0.00 O ATOM 641 CB LEU A 40 -19.280 -14.386 -1.958 1.00 0.00 C ATOM 642 CG LEU A 40 -17.860 -14.037 -2.447 1.00 0.00 C ATOM 643 CD1 LEU A 40 -17.792 -14.186 -3.973 1.00 0.00 C ATOM 644 CD2 LEU A 40 -17.402 -12.633 -2.049 1.00 0.00 C ATOM 0 H LEU A 40 -18.418 -16.244 -0.558 1.00 0.00 H new ATOM 0 HA LEU A 40 -19.006 -13.586 0.015 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -19.560 -15.349 -2.384 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -19.971 -13.646 -2.362 1.00 0.00 H new ATOM 0 HG LEU A 40 -17.182 -14.736 -1.957 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -16.788 -13.939 -4.318 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -18.028 -15.214 -4.249 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -18.511 -13.511 -4.437 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -16.395 -12.458 -2.427 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -18.082 -11.894 -2.473 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -17.402 -12.545 -0.963 1.00 0.00 H new ATOM 656 N GLU A 41 -21.423 -13.380 0.569 1.00 0.00 N ATOM 657 CA GLU A 41 -22.808 -13.060 0.874 1.00 0.00 C ATOM 658 C GLU A 41 -23.466 -12.446 -0.378 1.00 0.00 C ATOM 659 O GLU A 41 -23.980 -11.328 -0.368 1.00 0.00 O ATOM 660 CB GLU A 41 -22.783 -12.139 2.107 1.00 0.00 C ATOM 661 CG GLU A 41 -24.143 -11.811 2.714 1.00 0.00 C ATOM 662 CD GLU A 41 -24.852 -13.044 3.303 1.00 0.00 C ATOM 663 OE1 GLU A 41 -25.569 -13.751 2.560 1.00 0.00 O ATOM 664 OE2 GLU A 41 -24.722 -13.306 4.521 1.00 0.00 O ATOM 0 H GLU A 41 -20.779 -12.681 0.940 1.00 0.00 H new ATOM 0 HA GLU A 41 -23.416 -13.930 1.121 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -22.166 -12.606 2.875 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -22.294 -11.205 1.830 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -24.014 -11.064 3.497 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -24.778 -11.365 1.949 1.00 0.00 H new ATOM 671 N PHE A 42 -23.339 -13.135 -1.511 1.00 0.00 N ATOM 672 CA PHE A 42 -23.874 -12.681 -2.789 1.00 0.00 C ATOM 673 C PHE A 42 -25.414 -12.765 -2.817 1.00 0.00 C ATOM 674 O PHE A 42 -25.984 -13.603 -2.109 1.00 0.00 O ATOM 675 CB PHE A 42 -23.210 -13.450 -3.945 1.00 0.00 C ATOM 676 CG PHE A 42 -23.576 -14.919 -4.084 1.00 0.00 C ATOM 677 CD1 PHE A 42 -24.767 -15.291 -4.739 1.00 0.00 C ATOM 678 CD2 PHE A 42 -22.710 -15.920 -3.601 1.00 0.00 C ATOM 679 CE1 PHE A 42 -25.104 -16.649 -4.883 1.00 0.00 C ATOM 680 CE2 PHE A 42 -23.048 -17.277 -3.744 1.00 0.00 C ATOM 681 CZ PHE A 42 -24.246 -17.644 -4.381 1.00 0.00 C ATOM 0 H PHE A 42 -22.857 -14.032 -1.566 1.00 0.00 H new ATOM 0 HA PHE A 42 -23.630 -11.627 -2.920 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -23.462 -12.946 -4.878 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -22.129 -13.378 -3.826 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -25.424 -14.530 -5.132 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -21.784 -15.644 -3.119 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -26.022 -16.928 -5.379 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -22.385 -18.040 -3.363 1.00 0.00 H new ATOM 0 HZ PHE A 42 -24.507 -18.687 -4.485 1.00 0.00 H new ATOM 691 N PRO A 43 -26.104 -11.962 -3.653 1.00 0.00 N ATOM 692 CA PRO A 43 -25.563 -10.843 -4.423 1.00 0.00 C ATOM 693 C PRO A 43 -25.158 -9.682 -3.501 1.00 0.00 C ATOM 694 O PRO A 43 -25.716 -9.508 -2.415 1.00 0.00 O ATOM 695 CB PRO A 43 -26.680 -10.435 -5.389 1.00 0.00 C ATOM 696 CG PRO A 43 -27.954 -10.808 -4.634 1.00 0.00 C ATOM 697 CD PRO A 43 -27.544 -12.058 -3.854 1.00 0.00 C ATOM 0 HA PRO A 43 -24.657 -11.121 -4.961 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -26.645 -9.370 -5.617 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -26.605 -10.966 -6.338 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -28.278 -10.007 -3.970 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -28.781 -11.011 -5.315 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -28.067 -12.109 -2.899 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -27.800 -12.962 -4.406 1.00 0.00 H new ATOM 705 N PHE A 44 -24.190 -8.884 -3.949 1.00 0.00 N ATOM 706 CA PHE A 44 -23.653 -7.726 -3.235 1.00 0.00 C ATOM 707 C PHE A 44 -23.379 -6.614 -4.249 1.00 0.00 C ATOM 708 O PHE A 44 -23.829 -6.711 -5.390 1.00 0.00 O ATOM 709 CB PHE A 44 -22.426 -8.132 -2.396 1.00 0.00 C ATOM 710 CG PHE A 44 -21.174 -8.612 -3.125 1.00 0.00 C ATOM 711 CD1 PHE A 44 -21.065 -9.945 -3.565 1.00 0.00 C ATOM 712 CD2 PHE A 44 -20.065 -7.756 -3.270 1.00 0.00 C ATOM 713 CE1 PHE A 44 -19.869 -10.418 -4.132 1.00 0.00 C ATOM 714 CE2 PHE A 44 -18.867 -8.224 -3.835 1.00 0.00 C ATOM 715 CZ PHE A 44 -18.764 -9.559 -4.259 1.00 0.00 C ATOM 0 H PHE A 44 -23.741 -9.032 -4.853 1.00 0.00 H new ATOM 0 HA PHE A 44 -24.374 -7.337 -2.516 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -22.145 -7.276 -1.783 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -22.737 -8.924 -1.714 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -21.909 -10.611 -3.466 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -20.136 -6.729 -2.943 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -19.799 -11.441 -4.470 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -18.025 -7.557 -3.943 1.00 0.00 H new ATOM 0 HZ PHE A 44 -17.839 -9.924 -4.681 1.00 0.00 H new ATOM 725 N MET A 45 -22.671 -5.546 -3.877 1.00 0.00 N ATOM 726 CA MET A 45 -22.301 -4.495 -4.819 1.00 0.00 C ATOM 727 C MET A 45 -20.843 -4.081 -4.652 1.00 0.00 C ATOM 728 O MET A 45 -20.173 -4.454 -3.689 1.00 0.00 O ATOM 729 CB MET A 45 -23.281 -3.313 -4.723 1.00 0.00 C ATOM 730 CG MET A 45 -23.061 -2.374 -3.527 1.00 0.00 C ATOM 731 SD MET A 45 -23.470 -0.635 -3.852 1.00 0.00 S ATOM 732 CE MET A 45 -22.169 -0.196 -5.048 1.00 0.00 C ATOM 0 H MET A 45 -22.342 -5.388 -2.924 1.00 0.00 H new ATOM 0 HA MET A 45 -22.382 -4.891 -5.831 1.00 0.00 H new ATOM 0 HB2 MET A 45 -23.211 -2.729 -5.640 1.00 0.00 H new ATOM 0 HB3 MET A 45 -24.296 -3.707 -4.673 1.00 0.00 H new ATOM 0 HG2 MET A 45 -23.663 -2.726 -2.689 1.00 0.00 H new ATOM 0 HG3 MET A 45 -22.018 -2.437 -3.218 1.00 0.00 H new ATOM 0 HE1 MET A 45 -21.978 0.876 -5.001 1.00 0.00 H new ATOM 0 HE2 MET A 45 -21.255 -0.738 -4.807 1.00 0.00 H new ATOM 0 HE3 MET A 45 -22.494 -0.463 -6.054 1.00 0.00 H new ATOM 742 N GLY A 46 -20.350 -3.291 -5.595 1.00 0.00 N ATOM 743 CA GLY A 46 -18.976 -2.850 -5.588 1.00 0.00 C ATOM 744 C GLY A 46 -18.734 -1.746 -6.590 1.00 0.00 C ATOM 745 O GLY A 46 -19.638 -1.312 -7.310 1.00 0.00 O ATOM 0 H GLY A 46 -20.896 -2.942 -6.383 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -18.712 -2.499 -4.590 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -18.323 -3.693 -5.812 1.00 0.00 H new ATOM 749 N LYS A 47 -17.483 -1.306 -6.634 1.00 0.00 N ATOM 750 CA LYS A 47 -16.987 -0.414 -7.663 1.00 0.00 C ATOM 751 C LYS A 47 -15.937 -1.194 -8.438 1.00 0.00 C ATOM 752 O LYS A 47 -14.963 -1.665 -7.850 1.00 0.00 O ATOM 753 CB LYS A 47 -16.400 0.859 -7.024 1.00 0.00 C ATOM 754 CG LYS A 47 -16.185 1.979 -8.056 1.00 0.00 C ATOM 755 CD LYS A 47 -17.482 2.733 -8.386 1.00 0.00 C ATOM 756 CE LYS A 47 -17.890 3.718 -7.280 1.00 0.00 C ATOM 757 NZ LYS A 47 -19.023 4.582 -7.697 1.00 0.00 N ATOM 0 H LYS A 47 -16.778 -1.565 -5.944 1.00 0.00 H new ATOM 0 HA LYS A 47 -17.781 -0.085 -8.333 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -17.070 1.213 -6.240 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -15.450 0.619 -6.547 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -15.446 2.684 -7.674 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -15.774 1.552 -8.971 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -17.354 3.276 -9.322 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -18.286 2.014 -8.542 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -18.168 3.163 -6.384 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -17.036 4.342 -7.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -19.547 4.897 -6.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -18.658 5.411 -8.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -19.659 4.044 -8.319 1.00 0.00 H new ATOM 771 N TRP A 48 -16.137 -1.364 -9.741 1.00 0.00 N ATOM 772 CA TRP A 48 -15.100 -1.881 -10.614 1.00 0.00 C ATOM 773 C TRP A 48 -14.171 -0.691 -10.828 1.00 0.00 C ATOM 774 O TRP A 48 -14.524 0.263 -11.525 1.00 0.00 O ATOM 775 CB TRP A 48 -15.690 -2.455 -11.917 1.00 0.00 C ATOM 776 CG TRP A 48 -14.748 -3.192 -12.836 1.00 0.00 C ATOM 777 CD1 TRP A 48 -13.400 -3.234 -12.740 1.00 0.00 C ATOM 778 CD2 TRP A 48 -15.060 -4.018 -14.004 1.00 0.00 C ATOM 779 NE1 TRP A 48 -12.864 -4.001 -13.745 1.00 0.00 N ATOM 780 CE2 TRP A 48 -13.841 -4.545 -14.536 1.00 0.00 C ATOM 781 CE3 TRP A 48 -16.248 -4.380 -14.675 1.00 0.00 C ATOM 782 CZ2 TRP A 48 -13.800 -5.402 -15.643 1.00 0.00 C ATOM 783 CZ3 TRP A 48 -16.218 -5.249 -15.785 1.00 0.00 C ATOM 784 CH2 TRP A 48 -15.002 -5.766 -16.262 1.00 0.00 C ATOM 0 H TRP A 48 -17.015 -1.148 -10.214 1.00 0.00 H new ATOM 0 HA TRP A 48 -14.560 -2.727 -10.189 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -16.501 -3.133 -11.650 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -16.134 -1.632 -12.478 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -12.823 -2.733 -11.977 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -11.864 -4.147 -13.885 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -17.194 -3.986 -14.333 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -12.857 -5.776 -16.013 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -17.142 -5.521 -16.275 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -14.994 -6.442 -17.104 1.00 0.00 H new ATOM 795 N LYS A 49 -13.008 -0.723 -10.177 1.00 0.00 N ATOM 796 CA LYS A 49 -11.918 0.242 -10.319 1.00 0.00 C ATOM 797 C LYS A 49 -11.185 -0.085 -11.632 1.00 0.00 C ATOM 798 O LYS A 49 -9.983 -0.336 -11.634 1.00 0.00 O ATOM 799 CB LYS A 49 -10.991 0.123 -9.086 1.00 0.00 C ATOM 800 CG LYS A 49 -11.690 0.173 -7.711 1.00 0.00 C ATOM 801 CD LYS A 49 -12.341 1.513 -7.344 1.00 0.00 C ATOM 802 CE LYS A 49 -11.267 2.582 -7.086 1.00 0.00 C ATOM 803 NZ LYS A 49 -11.773 3.733 -6.297 1.00 0.00 N ATOM 0 H LYS A 49 -12.790 -1.458 -9.504 1.00 0.00 H new ATOM 0 HA LYS A 49 -12.276 1.271 -10.363 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -10.441 -0.815 -9.158 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -10.257 0.928 -9.128 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -12.457 -0.601 -7.685 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -10.958 -0.077 -6.943 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -12.999 1.837 -8.151 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -12.962 1.391 -6.456 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -10.429 2.127 -6.558 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -10.885 2.943 -8.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -10.990 4.157 -5.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -12.177 4.444 -6.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -12.507 3.406 -5.637 1.00 0.00 H new ATOM 817 N LYS A 50 -11.940 -0.150 -12.732 1.00 0.00 N ATOM 818 CA LYS A 50 -11.527 -0.668 -14.026 1.00 0.00 C ATOM 819 C LYS A 50 -10.181 -0.114 -14.470 1.00 0.00 C ATOM 820 O LYS A 50 -10.084 1.063 -14.808 1.00 0.00 O ATOM 821 CB LYS A 50 -12.650 -0.442 -15.049 1.00 0.00 C ATOM 822 CG LYS A 50 -12.270 -1.048 -16.408 1.00 0.00 C ATOM 823 CD LYS A 50 -13.442 -1.117 -17.399 1.00 0.00 C ATOM 824 CE LYS A 50 -14.453 -2.205 -17.005 1.00 0.00 C ATOM 825 NZ LYS A 50 -15.452 -2.465 -18.073 1.00 0.00 N ATOM 0 H LYS A 50 -12.906 0.176 -12.737 1.00 0.00 H new ATOM 0 HA LYS A 50 -11.365 -1.743 -13.942 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -13.574 -0.893 -14.689 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -12.839 0.626 -15.160 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -11.467 -0.457 -16.848 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -11.877 -2.053 -16.252 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -13.944 -0.150 -17.438 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.061 -1.319 -18.400 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -13.919 -3.128 -16.778 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -14.970 -1.904 -16.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -16.111 -3.206 -17.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -15.982 -1.593 -18.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -14.964 -2.779 -18.936 1.00 0.00 H new ATOM 976 N GLU A 59 -10.798 3.772 -14.115 1.00 0.00 N ATOM 977 CA GLU A 59 -12.154 4.283 -14.229 1.00 0.00 C ATOM 978 C GLU A 59 -12.962 3.597 -13.126 1.00 0.00 C ATOM 979 O GLU A 59 -12.541 2.573 -12.584 1.00 0.00 O ATOM 980 CB GLU A 59 -12.733 3.985 -15.623 1.00 0.00 C ATOM 981 CG GLU A 59 -12.048 4.767 -16.756 1.00 0.00 C ATOM 982 CD GLU A 59 -12.186 6.301 -16.659 1.00 0.00 C ATOM 983 OE1 GLU A 59 -13.165 6.813 -16.066 1.00 0.00 O ATOM 984 OE2 GLU A 59 -11.332 7.012 -17.235 1.00 0.00 O ATOM 0 HA GLU A 59 -12.185 5.366 -14.113 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.643 2.917 -15.824 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -13.797 4.220 -15.623 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.988 4.512 -16.766 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -12.464 4.438 -17.708 1.00 0.00 H new ATOM 991 N GLU A 60 -14.123 4.144 -12.775 1.00 0.00 N ATOM 992 CA GLU A 60 -14.868 3.717 -11.599 1.00 0.00 C ATOM 993 C GLU A 60 -16.316 3.473 -12.016 1.00 0.00 C ATOM 994 O GLU A 60 -17.068 4.419 -12.261 1.00 0.00 O ATOM 995 CB GLU A 60 -14.739 4.781 -10.494 1.00 0.00 C ATOM 996 CG GLU A 60 -13.287 5.000 -10.041 1.00 0.00 C ATOM 997 CD GLU A 60 -13.232 5.960 -8.844 1.00 0.00 C ATOM 998 OE1 GLU A 60 -13.359 5.484 -7.694 1.00 0.00 O ATOM 999 OE2 GLU A 60 -13.044 7.183 -9.038 1.00 0.00 O ATOM 0 H GLU A 60 -14.572 4.895 -13.299 1.00 0.00 H new ATOM 0 HA GLU A 60 -14.470 2.788 -11.190 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -15.148 5.725 -10.856 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -15.341 4.481 -9.636 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -12.838 4.045 -9.769 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -12.700 5.405 -10.866 1.00 0.00 H new ATOM 1006 N LYS A 61 -16.700 2.197 -12.121 1.00 0.00 N ATOM 1007 CA LYS A 61 -18.027 1.780 -12.571 1.00 0.00 C ATOM 1008 C LYS A 61 -18.727 1.102 -11.405 1.00 0.00 C ATOM 1009 O LYS A 61 -18.230 0.099 -10.895 1.00 0.00 O ATOM 1010 CB LYS A 61 -17.865 0.842 -13.778 1.00 0.00 C ATOM 1011 CG LYS A 61 -19.203 0.304 -14.303 1.00 0.00 C ATOM 1012 CD LYS A 61 -19.010 -0.557 -15.563 1.00 0.00 C ATOM 1013 CE LYS A 61 -18.745 0.265 -16.836 1.00 0.00 C ATOM 1014 NZ LYS A 61 -19.890 1.137 -17.204 1.00 0.00 N ATOM 0 H LYS A 61 -16.087 1.415 -11.892 1.00 0.00 H new ATOM 0 HA LYS A 61 -18.634 2.627 -12.890 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -17.354 1.375 -14.580 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -17.228 0.004 -13.497 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -19.688 -0.289 -13.527 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -19.868 1.138 -14.529 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -18.176 -1.240 -15.402 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -19.899 -1.169 -15.714 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -17.858 0.881 -16.688 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -18.529 -0.412 -17.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -19.622 1.742 -18.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -20.704 0.547 -17.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -20.147 1.734 -16.392 1.00 0.00 H new ATOM 1028 N THR A 62 -19.845 1.649 -10.947 1.00 0.00 N ATOM 1029 CA THR A 62 -20.637 1.030 -9.897 1.00 0.00 C ATOM 1030 C THR A 62 -21.293 -0.234 -10.470 1.00 0.00 C ATOM 1031 O THR A 62 -21.875 -0.193 -11.558 1.00 0.00 O ATOM 1032 CB THR A 62 -21.665 2.050 -9.381 1.00 0.00 C ATOM 1033 OG1 THR A 62 -21.060 3.328 -9.262 1.00 0.00 O ATOM 1034 CG2 THR A 62 -22.180 1.669 -7.996 1.00 0.00 C ATOM 0 H THR A 62 -20.226 2.530 -11.292 1.00 0.00 H new ATOM 0 HA THR A 62 -20.021 0.733 -9.048 1.00 0.00 H new ATOM 0 HB THR A 62 -22.489 2.064 -10.094 1.00 0.00 H new ATOM 0 HG1 THR A 62 -21.524 3.847 -8.572 1.00 0.00 H new ATOM 0 HG21 THR A 62 -22.905 2.411 -7.661 1.00 0.00 H new ATOM 0 HG22 THR A 62 -22.657 0.690 -8.042 1.00 0.00 H new ATOM 0 HG23 THR A 62 -21.346 1.634 -7.295 1.00 0.00 H new ATOM 1042 N VAL A 63 -21.201 -1.348 -9.743 1.00 0.00 N ATOM 1043 CA VAL A 63 -21.665 -2.649 -10.208 1.00 0.00 C ATOM 1044 C VAL A 63 -22.394 -3.395 -9.091 1.00 0.00 C ATOM 1045 O VAL A 63 -22.038 -3.278 -7.917 1.00 0.00 O ATOM 1046 CB VAL A 63 -20.489 -3.486 -10.767 1.00 0.00 C ATOM 1047 CG1 VAL A 63 -19.957 -2.931 -12.097 1.00 0.00 C ATOM 1048 CG2 VAL A 63 -19.300 -3.629 -9.799 1.00 0.00 C ATOM 0 H VAL A 63 -20.798 -1.369 -8.806 1.00 0.00 H new ATOM 0 HA VAL A 63 -22.374 -2.488 -11.020 1.00 0.00 H new ATOM 0 HB VAL A 63 -20.926 -4.473 -10.918 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -19.133 -3.553 -12.447 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -20.756 -2.935 -12.839 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -19.604 -1.910 -11.950 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -18.520 -4.229 -10.267 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -18.904 -2.642 -9.560 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -19.633 -4.118 -8.883 1.00 0.00 H new ATOM 1058 N GLU A 64 -23.413 -4.172 -9.457 1.00 0.00 N ATOM 1059 CA GLU A 64 -24.051 -5.121 -8.553 1.00 0.00 C ATOM 1060 C GLU A 64 -23.375 -6.446 -8.884 1.00 0.00 C ATOM 1061 O GLU A 64 -23.362 -6.851 -10.045 1.00 0.00 O ATOM 1062 CB GLU A 64 -25.569 -5.174 -8.780 1.00 0.00 C ATOM 1063 CG GLU A 64 -26.261 -6.182 -7.852 1.00 0.00 C ATOM 1064 CD GLU A 64 -27.791 -6.147 -8.020 1.00 0.00 C ATOM 1065 OE1 GLU A 64 -28.331 -6.867 -8.889 1.00 0.00 O ATOM 1066 OE2 GLU A 64 -28.472 -5.412 -7.269 1.00 0.00 O ATOM 0 H GLU A 64 -23.819 -4.159 -10.393 1.00 0.00 H new ATOM 0 HA GLU A 64 -23.937 -4.851 -7.503 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -25.993 -4.183 -8.618 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -25.770 -5.441 -9.818 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -25.894 -7.186 -8.065 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -26.003 -5.961 -6.816 1.00 0.00 H new ATOM 1073 N VAL A 65 -22.757 -7.086 -7.901 1.00 0.00 N ATOM 1074 CA VAL A 65 -22.023 -8.323 -8.079 1.00 0.00 C ATOM 1075 C VAL A 65 -23.024 -9.451 -7.831 1.00 0.00 C ATOM 1076 O VAL A 65 -23.483 -9.647 -6.703 1.00 0.00 O ATOM 1077 CB VAL A 65 -20.795 -8.362 -7.144 1.00 0.00 C ATOM 1078 CG1 VAL A 65 -19.868 -9.496 -7.594 1.00 0.00 C ATOM 1079 CG2 VAL A 65 -19.986 -7.048 -7.148 1.00 0.00 C ATOM 0 H VAL A 65 -22.754 -6.749 -6.938 1.00 0.00 H new ATOM 0 HA VAL A 65 -21.610 -8.425 -9.083 1.00 0.00 H new ATOM 0 HB VAL A 65 -21.170 -8.515 -6.132 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -18.996 -9.534 -6.941 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -20.402 -10.445 -7.542 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -19.546 -9.317 -8.620 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -19.137 -7.141 -6.471 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -19.625 -6.846 -8.157 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -20.624 -6.227 -6.819 1.00 0.00 H new ATOM 1089 N LEU A 66 -23.407 -10.158 -8.898 1.00 0.00 N ATOM 1090 CA LEU A 66 -24.410 -11.217 -8.836 1.00 0.00 C ATOM 1091 C LEU A 66 -23.903 -12.382 -7.987 1.00 0.00 C ATOM 1092 O LEU A 66 -24.699 -13.032 -7.310 1.00 0.00 O ATOM 1093 CB LEU A 66 -24.757 -11.760 -10.239 1.00 0.00 C ATOM 1094 CG LEU A 66 -25.629 -10.890 -11.165 1.00 0.00 C ATOM 1095 CD1 LEU A 66 -26.958 -10.484 -10.518 1.00 0.00 C ATOM 1096 CD2 LEU A 66 -24.899 -9.645 -11.669 1.00 0.00 C ATOM 0 H LEU A 66 -23.026 -10.009 -9.832 1.00 0.00 H new ATOM 0 HA LEU A 66 -25.304 -10.780 -8.391 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -23.820 -11.962 -10.758 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -25.262 -12.717 -10.109 1.00 0.00 H new ATOM 0 HG LEU A 66 -25.847 -11.527 -12.022 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -27.531 -9.873 -11.216 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -27.528 -11.378 -10.266 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -26.761 -9.912 -9.611 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -25.562 -9.071 -12.316 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -24.599 -9.030 -10.820 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -24.014 -9.944 -12.230 1.00 0.00 H new ATOM 1108 N GLY A 67 -22.598 -12.662 -8.037 1.00 0.00 N ATOM 1109 CA GLY A 67 -21.986 -13.809 -7.409 1.00 0.00 C ATOM 1110 C GLY A 67 -20.693 -14.123 -8.145 1.00 0.00 C ATOM 1111 O GLY A 67 -20.277 -13.404 -9.059 1.00 0.00 O ATOM 0 H GLY A 67 -21.929 -12.073 -8.533 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -21.784 -13.604 -6.358 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -22.660 -14.665 -7.443 1.00 0.00 H new ATOM 1115 N MET A 68 -20.054 -15.207 -7.730 1.00 0.00 N ATOM 1116 CA MET A 68 -18.868 -15.729 -8.388 1.00 0.00 C ATOM 1117 C MET A 68 -19.217 -16.147 -9.821 1.00 0.00 C ATOM 1118 O MET A 68 -20.333 -16.604 -10.089 1.00 0.00 O ATOM 1119 CB MET A 68 -18.313 -16.896 -7.554 1.00 0.00 C ATOM 1120 CG MET A 68 -16.817 -17.111 -7.772 1.00 0.00 C ATOM 1121 SD MET A 68 -15.769 -15.787 -7.121 1.00 0.00 S ATOM 1122 CE MET A 68 -14.187 -16.372 -7.771 1.00 0.00 C ATOM 0 H MET A 68 -20.348 -15.753 -6.920 1.00 0.00 H new ATOM 0 HA MET A 68 -18.093 -14.966 -8.456 1.00 0.00 H new ATOM 0 HB2 MET A 68 -18.499 -16.704 -6.497 1.00 0.00 H new ATOM 0 HB3 MET A 68 -18.849 -17.809 -7.811 1.00 0.00 H new ATOM 0 HG2 MET A 68 -16.526 -18.052 -7.305 1.00 0.00 H new ATOM 0 HG3 MET A 68 -16.629 -17.214 -8.841 1.00 0.00 H new ATOM 0 HE1 MET A 68 -13.410 -15.639 -7.552 1.00 0.00 H new ATOM 0 HE2 MET A 68 -13.931 -17.323 -7.303 1.00 0.00 H new ATOM 0 HE3 MET A 68 -14.265 -16.508 -8.850 1.00 0.00 H new ATOM 1132 N ALA A 69 -18.268 -15.967 -10.742 1.00 0.00 N ATOM 1133 CA ALA A 69 -18.425 -16.335 -12.144 1.00 0.00 C ATOM 1134 C ALA A 69 -18.540 -17.863 -12.307 1.00 0.00 C ATOM 1135 O ALA A 69 -18.256 -18.597 -11.353 1.00 0.00 O ATOM 1136 CB ALA A 69 -17.234 -15.764 -12.923 1.00 0.00 C ATOM 0 H ALA A 69 -17.359 -15.556 -10.529 1.00 0.00 H new ATOM 0 HA ALA A 69 -19.350 -15.916 -12.541 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -17.329 -16.027 -13.977 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -17.218 -14.679 -12.819 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -16.307 -16.180 -12.527 1.00 0.00 H new ATOM 1142 N PRO A 70 -18.935 -18.362 -13.496 1.00 0.00 N ATOM 1143 CA PRO A 70 -18.905 -19.784 -13.813 1.00 0.00 C ATOM 1144 C PRO A 70 -17.570 -20.441 -13.464 1.00 0.00 C ATOM 1145 O PRO A 70 -16.503 -19.824 -13.553 1.00 0.00 O ATOM 1146 CB PRO A 70 -19.212 -19.887 -15.310 1.00 0.00 C ATOM 1147 CG PRO A 70 -20.084 -18.660 -15.561 1.00 0.00 C ATOM 1148 CD PRO A 70 -19.467 -17.617 -14.631 1.00 0.00 C ATOM 0 HA PRO A 70 -19.640 -20.323 -13.215 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -18.303 -19.867 -15.912 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -19.735 -20.812 -15.553 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -20.049 -18.344 -16.604 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -21.130 -18.850 -15.320 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -18.679 -17.060 -15.137 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -20.213 -16.891 -14.307 1.00 0.00 H new ATOM 1156 N ASP A 71 -17.635 -21.732 -13.141 1.00 0.00 N ATOM 1157 CA ASP A 71 -16.473 -22.553 -12.810 1.00 0.00 C ATOM 1158 C ASP A 71 -15.434 -22.527 -13.932 1.00 0.00 C ATOM 1159 O ASP A 71 -14.234 -22.546 -13.669 1.00 0.00 O ATOM 1160 CB ASP A 71 -16.938 -23.991 -12.570 1.00 0.00 C ATOM 1161 CG ASP A 71 -15.774 -24.897 -12.150 1.00 0.00 C ATOM 1162 OD1 ASP A 71 -15.320 -24.776 -10.992 1.00 0.00 O ATOM 1163 OD2 ASP A 71 -15.374 -25.777 -12.946 1.00 0.00 O ATOM 0 H ASP A 71 -18.515 -22.246 -13.102 1.00 0.00 H new ATOM 0 HA ASP A 71 -16.004 -22.150 -11.912 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -17.706 -24.002 -11.796 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -17.395 -24.383 -13.479 1.00 0.00 H new ATOM 1168 N ASP A 72 -15.904 -22.427 -15.181 1.00 0.00 N ATOM 1169 CA ASP A 72 -15.062 -22.383 -16.376 1.00 0.00 C ATOM 1170 C ASP A 72 -14.239 -21.093 -16.462 1.00 0.00 C ATOM 1171 O ASP A 72 -13.125 -21.111 -16.984 1.00 0.00 O ATOM 1172 CB ASP A 72 -15.932 -22.526 -17.629 1.00 0.00 C ATOM 1173 CG ASP A 72 -15.072 -22.538 -18.904 1.00 0.00 C ATOM 1174 OD1 ASP A 72 -14.350 -23.534 -19.141 1.00 0.00 O ATOM 1175 OD2 ASP A 72 -15.150 -21.580 -19.704 1.00 0.00 O ATOM 0 H ASP A 72 -16.901 -22.374 -15.390 1.00 0.00 H new ATOM 0 HA ASP A 72 -14.360 -23.214 -16.310 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -16.512 -23.447 -17.569 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -16.645 -21.703 -17.676 1.00 0.00 H new ATOM 1180 N GLU A 73 -14.751 -19.978 -15.928 1.00 0.00 N ATOM 1181 CA GLU A 73 -13.976 -18.744 -15.804 1.00 0.00 C ATOM 1182 C GLU A 73 -12.991 -18.899 -14.642 1.00 0.00 C ATOM 1183 O GLU A 73 -11.816 -18.549 -14.757 1.00 0.00 O ATOM 1184 CB GLU A 73 -14.895 -17.534 -15.544 1.00 0.00 C ATOM 1185 CG GLU A 73 -15.945 -17.279 -16.638 1.00 0.00 C ATOM 1186 CD GLU A 73 -15.345 -17.079 -18.044 1.00 0.00 C ATOM 1187 OE1 GLU A 73 -14.342 -16.346 -18.198 1.00 0.00 O ATOM 1188 OE2 GLU A 73 -15.902 -17.624 -19.024 1.00 0.00 O ATOM 0 H GLU A 73 -15.705 -19.908 -15.574 1.00 0.00 H new ATOM 0 HA GLU A 73 -13.441 -18.567 -16.737 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -15.408 -17.682 -14.594 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -14.278 -16.642 -15.437 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -16.638 -18.120 -16.666 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -16.525 -16.396 -16.372 1.00 0.00 H new ATOM 1195 N CYS A 74 -13.458 -19.474 -13.531 1.00 0.00 N ATOM 1196 CA CYS A 74 -12.713 -19.580 -12.282 1.00 0.00 C ATOM 1197 C CYS A 74 -11.656 -20.699 -12.287 1.00 0.00 C ATOM 1198 O CYS A 74 -11.179 -21.095 -11.225 1.00 0.00 O ATOM 1199 CB CYS A 74 -13.700 -19.738 -11.122 1.00 0.00 C ATOM 1200 SG CYS A 74 -14.858 -18.336 -11.110 1.00 0.00 S ATOM 0 H CYS A 74 -14.389 -19.888 -13.478 1.00 0.00 H new ATOM 0 HA CYS A 74 -12.143 -18.659 -12.158 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -14.248 -20.675 -11.223 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -13.160 -19.785 -10.176 1.00 0.00 H new ATOM 0 HG CYS A 74 -15.747 -18.499 -12.044 1.00 0.00 H new ATOM 1206 N LEU A 75 -11.290 -21.228 -13.458 1.00 0.00 N ATOM 1207 CA LEU A 75 -10.344 -22.329 -13.615 1.00 0.00 C ATOM 1208 C LEU A 75 -8.893 -21.903 -13.332 1.00 0.00 C ATOM 1209 O LEU A 75 -8.036 -22.766 -13.159 1.00 0.00 O ATOM 1210 CB LEU A 75 -10.477 -22.927 -15.035 1.00 0.00 C ATOM 1211 CG LEU A 75 -10.674 -24.456 -15.106 1.00 0.00 C ATOM 1212 CD1 LEU A 75 -9.567 -25.246 -14.403 1.00 0.00 C ATOM 1213 CD2 LEU A 75 -12.040 -24.895 -14.567 1.00 0.00 C ATOM 0 H LEU A 75 -11.657 -20.890 -14.348 1.00 0.00 H new ATOM 0 HA LEU A 75 -10.591 -23.090 -12.875 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -11.320 -22.448 -15.533 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -9.583 -22.668 -15.602 1.00 0.00 H new ATOM 0 HG LEU A 75 -10.624 -24.690 -16.169 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -9.769 -26.313 -14.492 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.607 -25.018 -14.867 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -9.536 -24.969 -13.349 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -12.128 -25.979 -14.639 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -12.134 -24.592 -13.524 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -12.830 -24.427 -15.154 1.00 0.00 H new ATOM 1225 N LYS A 76 -8.595 -20.594 -13.305 1.00 0.00 N ATOM 1226 CA LYS A 76 -7.229 -20.073 -13.154 1.00 0.00 C ATOM 1227 C LYS A 76 -7.164 -18.820 -12.285 1.00 0.00 C ATOM 1228 O LYS A 76 -6.171 -18.608 -11.588 1.00 0.00 O ATOM 1229 CB LYS A 76 -6.656 -19.695 -14.532 1.00 0.00 C ATOM 1230 CG LYS A 76 -6.733 -20.822 -15.573 1.00 0.00 C ATOM 1231 CD LYS A 76 -6.142 -20.435 -16.935 1.00 0.00 C ATOM 1232 CE LYS A 76 -4.668 -20.030 -16.813 1.00 0.00 C ATOM 1233 NZ LYS A 76 -4.052 -19.734 -18.131 1.00 0.00 N ATOM 0 H LYS A 76 -9.301 -19.863 -13.388 1.00 0.00 H new ATOM 0 HA LYS A 76 -6.655 -20.867 -12.676 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -7.194 -18.827 -14.912 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.615 -19.397 -14.411 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -6.205 -21.696 -15.191 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.775 -21.112 -15.707 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -6.234 -21.274 -17.624 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -6.713 -19.610 -17.360 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -4.587 -19.152 -16.172 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -4.113 -20.832 -16.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -3.056 -19.465 -17.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -4.104 -20.578 -18.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -4.564 -18.951 -18.585 1.00 0.00 H new ATOM 1247 N ASP A 77 -8.211 -18.000 -12.315 1.00 0.00 N ATOM 1248 CA ASP A 77 -8.228 -16.662 -11.723 1.00 0.00 C ATOM 1249 C ASP A 77 -9.626 -16.367 -11.181 1.00 0.00 C ATOM 1250 O ASP A 77 -10.593 -17.008 -11.592 1.00 0.00 O ATOM 1251 CB ASP A 77 -7.809 -15.642 -12.793 1.00 0.00 C ATOM 1252 CG ASP A 77 -7.796 -14.191 -12.283 1.00 0.00 C ATOM 1253 OD1 ASP A 77 -7.469 -13.973 -11.097 1.00 0.00 O ATOM 1254 OD2 ASP A 77 -8.064 -13.271 -13.087 1.00 0.00 O ATOM 0 H ASP A 77 -9.093 -18.252 -12.762 1.00 0.00 H new ATOM 0 HA ASP A 77 -7.526 -16.598 -10.892 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.815 -15.899 -13.160 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -8.490 -15.715 -13.641 1.00 0.00 H new ATOM 1259 N MET A 78 -9.736 -15.451 -10.221 1.00 0.00 N ATOM 1260 CA MET A 78 -10.976 -15.169 -9.508 1.00 0.00 C ATOM 1261 C MET A 78 -11.803 -14.153 -10.299 1.00 0.00 C ATOM 1262 O MET A 78 -11.377 -13.009 -10.485 1.00 0.00 O ATOM 1263 CB MET A 78 -10.654 -14.647 -8.098 1.00 0.00 C ATOM 1264 CG MET A 78 -9.965 -15.684 -7.196 1.00 0.00 C ATOM 1265 SD MET A 78 -10.913 -17.196 -6.835 1.00 0.00 S ATOM 1266 CE MET A 78 -10.231 -18.362 -8.049 1.00 0.00 C ATOM 0 H MET A 78 -8.952 -14.876 -9.913 1.00 0.00 H new ATOM 0 HA MET A 78 -11.562 -16.083 -9.408 1.00 0.00 H new ATOM 0 HB2 MET A 78 -10.013 -13.770 -8.183 1.00 0.00 H new ATOM 0 HB3 MET A 78 -11.578 -14.321 -7.621 1.00 0.00 H new ATOM 0 HG2 MET A 78 -9.024 -15.974 -7.664 1.00 0.00 H new ATOM 0 HG3 MET A 78 -9.715 -15.203 -6.250 1.00 0.00 H new ATOM 0 HE1 MET A 78 -10.454 -19.383 -7.739 1.00 0.00 H new ATOM 0 HE2 MET A 78 -10.678 -18.174 -9.025 1.00 0.00 H new ATOM 0 HE3 MET A 78 -9.151 -18.230 -8.113 1.00 0.00 H new ATOM 1276 N TYR A 79 -13.007 -14.546 -10.722 1.00 0.00 N ATOM 1277 CA TYR A 79 -13.906 -13.721 -11.522 1.00 0.00 C ATOM 1278 C TYR A 79 -15.291 -13.698 -10.878 1.00 0.00 C ATOM 1279 O TYR A 79 -15.695 -14.667 -10.234 1.00 0.00 O ATOM 1280 CB TYR A 79 -14.017 -14.305 -12.938 1.00 0.00 C ATOM 1281 CG TYR A 79 -12.816 -14.113 -13.840 1.00 0.00 C ATOM 1282 CD1 TYR A 79 -12.629 -12.888 -14.506 1.00 0.00 C ATOM 1283 CD2 TYR A 79 -11.934 -15.183 -14.083 1.00 0.00 C ATOM 1284 CE1 TYR A 79 -11.565 -12.725 -15.409 1.00 0.00 C ATOM 1285 CE2 TYR A 79 -10.878 -15.036 -14.999 1.00 0.00 C ATOM 1286 CZ TYR A 79 -10.684 -13.802 -15.664 1.00 0.00 C ATOM 1287 OH TYR A 79 -9.673 -13.645 -16.565 1.00 0.00 O ATOM 0 H TYR A 79 -13.389 -15.468 -10.511 1.00 0.00 H new ATOM 0 HA TYR A 79 -13.511 -12.707 -11.574 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -14.213 -15.374 -12.853 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -14.885 -13.860 -13.425 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -13.307 -12.068 -14.322 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -12.069 -16.120 -13.564 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -11.420 -11.778 -15.908 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -10.214 -15.865 -15.195 1.00 0.00 H new ATOM 0 HH TYR A 79 -9.157 -14.476 -16.626 1.00 0.00 H new ATOM 1297 N VAL A 80 -16.047 -12.627 -11.110 1.00 0.00 N ATOM 1298 CA VAL A 80 -17.392 -12.440 -10.576 1.00 0.00 C ATOM 1299 C VAL A 80 -18.299 -11.947 -11.700 1.00 0.00 C ATOM 1300 O VAL A 80 -17.854 -11.208 -12.581 1.00 0.00 O ATOM 1301 CB VAL A 80 -17.382 -11.465 -9.378 1.00 0.00 C ATOM 1302 CG1 VAL A 80 -16.887 -12.140 -8.092 1.00 0.00 C ATOM 1303 CG2 VAL A 80 -16.561 -10.183 -9.614 1.00 0.00 C ATOM 0 H VAL A 80 -15.733 -11.848 -11.688 1.00 0.00 H new ATOM 0 HA VAL A 80 -17.775 -13.389 -10.201 1.00 0.00 H new ATOM 0 HB VAL A 80 -18.426 -11.171 -9.267 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -16.896 -11.418 -7.275 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -17.541 -12.976 -7.845 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -15.871 -12.506 -8.241 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -16.606 -9.553 -8.725 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -15.524 -10.448 -9.819 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -16.972 -9.639 -10.465 1.00 0.00 H new ATOM 1313 N GLU A 81 -19.567 -12.354 -11.679 1.00 0.00 N ATOM 1314 CA GLU A 81 -20.570 -11.800 -12.585 1.00 0.00 C ATOM 1315 C GLU A 81 -21.052 -10.474 -12.001 1.00 0.00 C ATOM 1316 O GLU A 81 -21.261 -10.362 -10.790 1.00 0.00 O ATOM 1317 CB GLU A 81 -21.746 -12.770 -12.770 1.00 0.00 C ATOM 1318 CG GLU A 81 -21.413 -13.856 -13.801 1.00 0.00 C ATOM 1319 CD GLU A 81 -22.590 -14.827 -14.003 1.00 0.00 C ATOM 1320 OE1 GLU A 81 -22.782 -15.742 -13.172 1.00 0.00 O ATOM 1321 OE2 GLU A 81 -23.326 -14.695 -15.007 1.00 0.00 O ATOM 0 H GLU A 81 -19.924 -13.067 -11.043 1.00 0.00 H new ATOM 0 HA GLU A 81 -20.129 -11.641 -13.569 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -21.991 -13.235 -11.815 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -22.629 -12.218 -13.092 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -21.159 -13.389 -14.753 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -20.534 -14.412 -13.474 1.00 0.00 H new ATOM 1328 N VAL A 82 -21.245 -9.473 -12.859 1.00 0.00 N ATOM 1329 CA VAL A 82 -21.537 -8.106 -12.454 1.00 0.00 C ATOM 1330 C VAL A 82 -22.554 -7.487 -13.402 1.00 0.00 C ATOM 1331 O VAL A 82 -22.464 -7.666 -14.614 1.00 0.00 O ATOM 1332 CB VAL A 82 -20.244 -7.264 -12.419 1.00 0.00 C ATOM 1333 CG1 VAL A 82 -19.402 -7.607 -11.187 1.00 0.00 C ATOM 1334 CG2 VAL A 82 -19.361 -7.394 -13.672 1.00 0.00 C ATOM 0 H VAL A 82 -21.201 -9.595 -13.871 1.00 0.00 H new ATOM 0 HA VAL A 82 -21.960 -8.121 -11.450 1.00 0.00 H new ATOM 0 HB VAL A 82 -20.590 -6.231 -12.380 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -18.496 -7.001 -11.185 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -19.978 -7.402 -10.284 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -19.132 -8.663 -11.213 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -18.475 -6.768 -13.560 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -19.058 -8.433 -13.797 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -19.924 -7.072 -14.548 1.00 0.00 H new ATOM 1344 N ALA A 83 -23.500 -6.732 -12.857 1.00 0.00 N ATOM 1345 CA ALA A 83 -24.432 -5.925 -13.627 1.00 0.00 C ATOM 1346 C ALA A 83 -23.956 -4.483 -13.549 1.00 0.00 C ATOM 1347 O ALA A 83 -23.602 -4.004 -12.467 1.00 0.00 O ATOM 1348 CB ALA A 83 -25.849 -6.064 -13.070 1.00 0.00 C ATOM 0 H ALA A 83 -23.642 -6.664 -11.849 1.00 0.00 H new ATOM 0 HA ALA A 83 -24.462 -6.257 -14.665 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -26.533 -5.453 -13.659 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -26.159 -7.108 -13.121 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -25.866 -5.731 -12.032 1.00 0.00 H new ATOM 1354 N ASP A 84 -23.951 -3.791 -14.686 1.00 0.00 N ATOM 1355 CA ASP A 84 -23.476 -2.414 -14.807 1.00 0.00 C ATOM 1356 C ASP A 84 -24.553 -1.444 -14.338 1.00 0.00 C ATOM 1357 O ASP A 84 -25.137 -0.704 -15.129 1.00 0.00 O ATOM 1358 CB ASP A 84 -23.046 -2.126 -16.251 1.00 0.00 C ATOM 1359 CG ASP A 84 -22.491 -0.708 -16.440 1.00 0.00 C ATOM 1360 OD1 ASP A 84 -22.249 0.012 -15.448 1.00 0.00 O ATOM 1361 OD2 ASP A 84 -22.219 -0.330 -17.601 1.00 0.00 O ATOM 0 H ASP A 84 -24.284 -4.180 -15.568 1.00 0.00 H new ATOM 0 HA ASP A 84 -22.604 -2.278 -14.168 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -22.288 -2.850 -16.550 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -23.900 -2.267 -16.914 1.00 0.00 H new ATOM 1366 N ILE A 85 -24.876 -1.472 -13.049 1.00 0.00 N ATOM 1367 CA ILE A 85 -25.859 -0.569 -12.444 1.00 0.00 C ATOM 1368 C ILE A 85 -25.477 0.916 -12.599 1.00 0.00 C ATOM 1369 O ILE A 85 -26.319 1.790 -12.388 1.00 0.00 O ATOM 1370 CB ILE A 85 -26.139 -0.963 -10.977 1.00 0.00 C ATOM 1371 CG1 ILE A 85 -24.924 -0.746 -10.051 1.00 0.00 C ATOM 1372 CG2 ILE A 85 -26.647 -2.417 -10.919 1.00 0.00 C ATOM 1373 CD1 ILE A 85 -25.229 -0.967 -8.564 1.00 0.00 C ATOM 0 H ILE A 85 -24.461 -2.127 -12.386 1.00 0.00 H new ATOM 0 HA ILE A 85 -26.792 -0.686 -12.996 1.00 0.00 H new ATOM 0 HB ILE A 85 -26.915 -0.298 -10.598 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -24.124 -1.423 -10.352 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -24.551 0.269 -10.189 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -26.844 -2.693 -9.883 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -27.566 -2.505 -11.499 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -25.891 -3.083 -11.334 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -24.326 -0.796 -7.978 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -26.006 -0.272 -8.245 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -25.572 -1.990 -8.411 1.00 0.00 H new ATOM 1385 N GLY A 86 -24.231 1.208 -12.986 1.00 0.00 N ATOM 1386 CA GLY A 86 -23.735 2.551 -13.234 1.00 0.00 C ATOM 1387 C GLY A 86 -23.930 3.010 -14.684 1.00 0.00 C ATOM 1388 O GLY A 86 -23.738 4.199 -14.950 1.00 0.00 O ATOM 0 H GLY A 86 -23.524 0.489 -13.138 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -24.244 3.248 -12.568 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -22.674 2.591 -12.987 1.00 0.00 H new ATOM 1392 N GLY A 87 -24.313 2.123 -15.614 1.00 0.00 N ATOM 1393 CA GLY A 87 -24.309 2.432 -17.045 1.00 0.00 C ATOM 1394 C GLY A 87 -25.410 1.775 -17.879 1.00 0.00 C ATOM 1395 O GLY A 87 -25.777 2.337 -18.913 1.00 0.00 O ATOM 0 H GLY A 87 -24.631 1.179 -15.394 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -24.388 3.513 -17.163 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -23.344 2.136 -17.457 1.00 0.00 H new ATOM 1399 N LYS A 88 -25.962 0.630 -17.462 1.00 0.00 N ATOM 1400 CA LYS A 88 -26.960 -0.129 -18.230 1.00 0.00 C ATOM 1401 C LYS A 88 -28.061 -0.676 -17.329 1.00 0.00 C ATOM 1402 O LYS A 88 -29.222 -0.646 -17.729 1.00 0.00 O ATOM 1403 CB LYS A 88 -26.295 -1.308 -18.971 1.00 0.00 C ATOM 1404 CG LYS A 88 -25.256 -0.925 -20.038 1.00 0.00 C ATOM 1405 CD LYS A 88 -25.873 -0.224 -21.258 1.00 0.00 C ATOM 1406 CE LYS A 88 -24.777 0.102 -22.283 1.00 0.00 C ATOM 1407 NZ LYS A 88 -25.317 0.783 -23.486 1.00 0.00 N ATOM 0 H LYS A 88 -25.726 0.197 -16.569 1.00 0.00 H new ATOM 0 HA LYS A 88 -27.400 0.561 -18.950 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -25.812 -1.950 -18.234 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -27.076 -1.901 -19.447 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -24.509 -0.270 -19.590 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -24.735 -1.824 -20.368 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -26.629 -0.864 -21.712 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -26.376 0.692 -20.947 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -24.023 0.736 -21.817 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -24.277 -0.819 -22.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -24.541 0.983 -24.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -26.017 0.168 -23.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -25.771 1.675 -23.205 1.00 0.00 H new ATOM 1421 N ASP A 89 -27.702 -1.163 -16.136 1.00 0.00 N ATOM 1422 CA ASP A 89 -28.516 -1.825 -15.106 1.00 0.00 C ATOM 1423 C ASP A 89 -29.206 -3.128 -15.544 1.00 0.00 C ATOM 1424 O ASP A 89 -29.311 -4.059 -14.748 1.00 0.00 O ATOM 1425 CB ASP A 89 -29.522 -0.837 -14.497 1.00 0.00 C ATOM 1426 CG ASP A 89 -30.434 -1.509 -13.457 1.00 0.00 C ATOM 1427 OD1 ASP A 89 -30.006 -1.683 -12.295 1.00 0.00 O ATOM 1428 OD2 ASP A 89 -31.604 -1.816 -13.781 1.00 0.00 O ATOM 0 H ASP A 89 -26.730 -1.097 -15.835 1.00 0.00 H new ATOM 0 HA ASP A 89 -27.805 -2.144 -14.344 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -28.983 -0.014 -14.028 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -30.133 -0.407 -15.291 1.00 0.00 H new ATOM 1433 N ASP A 90 -29.633 -3.228 -16.801 1.00 0.00 N ATOM 1434 CA ASP A 90 -30.486 -4.298 -17.321 1.00 0.00 C ATOM 1435 C ASP A 90 -29.690 -5.477 -17.904 1.00 0.00 C ATOM 1436 O ASP A 90 -30.283 -6.445 -18.382 1.00 0.00 O ATOM 1437 CB ASP A 90 -31.413 -3.687 -18.384 1.00 0.00 C ATOM 1438 CG ASP A 90 -32.493 -4.666 -18.879 1.00 0.00 C ATOM 1439 OD1 ASP A 90 -33.308 -5.148 -18.058 1.00 0.00 O ATOM 1440 OD2 ASP A 90 -32.583 -4.905 -20.105 1.00 0.00 O ATOM 0 H ASP A 90 -29.386 -2.541 -17.513 1.00 0.00 H new ATOM 0 HA ASP A 90 -31.061 -4.716 -16.494 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -31.896 -2.802 -17.971 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -30.814 -3.357 -19.233 1.00 0.00 H new ATOM 1445 N ASP A 91 -28.353 -5.426 -17.875 1.00 0.00 N ATOM 1446 CA ASP A 91 -27.489 -6.457 -18.461 1.00 0.00 C ATOM 1447 C ASP A 91 -26.312 -6.775 -17.540 1.00 0.00 C ATOM 1448 O ASP A 91 -26.001 -6.009 -16.622 1.00 0.00 O ATOM 1449 CB ASP A 91 -27.004 -6.030 -19.858 1.00 0.00 C ATOM 1450 CG ASP A 91 -26.443 -7.191 -20.705 1.00 0.00 C ATOM 1451 OD1 ASP A 91 -26.703 -8.376 -20.395 1.00 0.00 O ATOM 1452 OD2 ASP A 91 -25.769 -6.916 -21.722 1.00 0.00 O ATOM 0 H ASP A 91 -27.836 -4.661 -17.440 1.00 0.00 H new ATOM 0 HA ASP A 91 -28.076 -7.369 -18.573 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -27.833 -5.569 -20.395 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -26.233 -5.268 -19.747 1.00 0.00 H new ATOM 1457 N VAL A 92 -25.659 -7.905 -17.803 1.00 0.00 N ATOM 1458 CA VAL A 92 -24.658 -8.530 -16.948 1.00 0.00 C ATOM 1459 C VAL A 92 -23.418 -8.873 -17.788 1.00 0.00 C ATOM 1460 O VAL A 92 -23.514 -9.185 -18.979 1.00 0.00 O ATOM 1461 CB VAL A 92 -25.278 -9.776 -16.261 1.00 0.00 C ATOM 1462 CG1 VAL A 92 -24.328 -10.453 -15.260 1.00 0.00 C ATOM 1463 CG2 VAL A 92 -26.578 -9.436 -15.507 1.00 0.00 C ATOM 0 H VAL A 92 -25.823 -8.433 -18.660 1.00 0.00 H new ATOM 0 HA VAL A 92 -24.339 -7.848 -16.159 1.00 0.00 H new ATOM 0 HB VAL A 92 -25.483 -10.462 -17.083 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -24.823 -11.317 -14.816 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -23.426 -10.778 -15.778 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -24.061 -9.745 -14.476 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -26.976 -10.338 -15.042 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -26.368 -8.693 -14.737 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -27.311 -9.035 -16.207 1.00 0.00 H new ATOM 1473 N TYR A 93 -22.257 -8.819 -17.137 1.00 0.00 N ATOM 1474 CA TYR A 93 -20.918 -9.016 -17.671 1.00 0.00 C ATOM 1475 C TYR A 93 -20.111 -9.792 -16.615 1.00 0.00 C ATOM 1476 O TYR A 93 -20.662 -10.198 -15.586 1.00 0.00 O ATOM 1477 CB TYR A 93 -20.285 -7.638 -17.955 1.00 0.00 C ATOM 1478 CG TYR A 93 -21.096 -6.731 -18.866 1.00 0.00 C ATOM 1479 CD1 TYR A 93 -20.940 -6.815 -20.263 1.00 0.00 C ATOM 1480 CD2 TYR A 93 -22.014 -5.812 -18.317 1.00 0.00 C ATOM 1481 CE1 TYR A 93 -21.695 -5.986 -21.110 1.00 0.00 C ATOM 1482 CE2 TYR A 93 -22.781 -4.985 -19.159 1.00 0.00 C ATOM 1483 CZ TYR A 93 -22.621 -5.069 -20.562 1.00 0.00 C ATOM 1484 OH TYR A 93 -23.342 -4.269 -21.397 1.00 0.00 O ATOM 0 H TYR A 93 -22.231 -8.619 -16.137 1.00 0.00 H new ATOM 0 HA TYR A 93 -20.933 -9.579 -18.604 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -20.126 -7.126 -17.006 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -19.303 -7.792 -18.402 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -20.238 -7.519 -20.685 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -22.129 -5.742 -17.245 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -21.568 -6.049 -22.181 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -23.489 -4.289 -18.735 1.00 0.00 H new ATOM 0 HH TYR A 93 -24.088 -3.868 -20.903 1.00 0.00 H new ATOM 1494 N THR A 94 -18.808 -9.975 -16.829 1.00 0.00 N ATOM 1495 CA THR A 94 -17.907 -10.594 -15.859 1.00 0.00 C ATOM 1496 C THR A 94 -16.765 -9.611 -15.584 1.00 0.00 C ATOM 1497 O THR A 94 -16.361 -8.867 -16.483 1.00 0.00 O ATOM 1498 CB THR A 94 -17.417 -11.953 -16.401 1.00 0.00 C ATOM 1499 OG1 THR A 94 -18.517 -12.751 -16.805 1.00 0.00 O ATOM 1500 CG2 THR A 94 -16.619 -12.761 -15.371 1.00 0.00 C ATOM 0 H THR A 94 -18.343 -9.694 -17.692 1.00 0.00 H new ATOM 0 HA THR A 94 -18.411 -10.802 -14.915 1.00 0.00 H new ATOM 0 HB THR A 94 -16.765 -11.715 -17.241 1.00 0.00 H new ATOM 0 HG1 THR A 94 -18.190 -13.609 -17.148 1.00 0.00 H new ATOM 0 HG21 THR A 94 -16.304 -13.705 -15.815 1.00 0.00 H new ATOM 0 HG22 THR A 94 -15.741 -12.193 -15.064 1.00 0.00 H new ATOM 0 HG23 THR A 94 -17.245 -12.960 -14.501 1.00 0.00 H new ATOM 1508 N ALA A 95 -16.240 -9.622 -14.358 1.00 0.00 N ATOM 1509 CA ALA A 95 -15.115 -8.805 -13.929 1.00 0.00 C ATOM 1510 C ALA A 95 -14.145 -9.672 -13.140 1.00 0.00 C ATOM 1511 O ALA A 95 -14.557 -10.616 -12.465 1.00 0.00 O ATOM 1512 CB ALA A 95 -15.614 -7.645 -13.063 1.00 0.00 C ATOM 0 H ALA A 95 -16.601 -10.221 -13.616 1.00 0.00 H new ATOM 0 HA ALA A 95 -14.606 -8.393 -14.800 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -14.767 -7.037 -12.745 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -16.305 -7.031 -13.641 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -16.126 -8.040 -12.186 1.00 0.00 H new ATOM 1518 N LYS A 96 -12.852 -9.353 -13.214 1.00 0.00 N ATOM 1519 CA LYS A 96 -11.863 -9.969 -12.340 1.00 0.00 C ATOM 1520 C LYS A 96 -12.104 -9.397 -10.950 1.00 0.00 C ATOM 1521 O LYS A 96 -12.180 -8.176 -10.796 1.00 0.00 O ATOM 1522 CB LYS A 96 -10.424 -9.752 -12.855 1.00 0.00 C ATOM 1523 CG LYS A 96 -10.084 -8.319 -13.308 1.00 0.00 C ATOM 1524 CD LYS A 96 -10.060 -8.130 -14.834 1.00 0.00 C ATOM 1525 CE LYS A 96 -10.002 -6.630 -15.184 1.00 0.00 C ATOM 1526 NZ LYS A 96 -9.547 -6.384 -16.578 1.00 0.00 N ATOM 0 H LYS A 96 -12.469 -8.672 -13.870 1.00 0.00 H new ATOM 0 HA LYS A 96 -11.972 -11.053 -12.316 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -9.729 -10.038 -12.066 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -10.252 -10.428 -13.692 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -10.813 -7.632 -12.879 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -9.110 -8.043 -12.904 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -9.197 -8.643 -15.258 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -10.948 -8.580 -15.278 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -10.990 -6.190 -15.045 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -9.328 -6.125 -14.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -9.526 -5.360 -16.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -8.593 -6.778 -16.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -10.203 -6.841 -17.243 1.00 0.00 H new ATOM 1540 N LEU A 97 -12.220 -10.255 -9.936 1.00 0.00 N ATOM 1541 CA LEU A 97 -12.412 -9.796 -8.559 1.00 0.00 C ATOM 1542 C LEU A 97 -11.229 -8.924 -8.126 1.00 0.00 C ATOM 1543 O LEU A 97 -11.398 -7.959 -7.385 1.00 0.00 O ATOM 1544 CB LEU A 97 -12.593 -11.005 -7.630 1.00 0.00 C ATOM 1545 CG LEU A 97 -12.865 -10.617 -6.162 1.00 0.00 C ATOM 1546 CD1 LEU A 97 -14.124 -9.749 -6.013 1.00 0.00 C ATOM 1547 CD2 LEU A 97 -13.029 -11.897 -5.343 1.00 0.00 C ATOM 0 H LEU A 97 -12.185 -11.269 -10.041 1.00 0.00 H new ATOM 0 HA LEU A 97 -13.313 -9.186 -8.498 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -13.420 -11.614 -7.996 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -11.697 -11.624 -7.674 1.00 0.00 H new ATOM 0 HG LEU A 97 -12.021 -10.028 -5.803 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -14.273 -9.502 -4.962 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -14.003 -8.831 -6.588 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -14.990 -10.298 -6.383 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -13.222 -11.640 -4.301 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -13.866 -12.475 -5.735 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -12.116 -12.490 -5.407 1.00 0.00 H new ATOM 1559 N SER A 98 -10.049 -9.228 -8.667 1.00 0.00 N ATOM 1560 CA SER A 98 -8.809 -8.480 -8.574 1.00 0.00 C ATOM 1561 C SER A 98 -8.946 -6.984 -8.896 1.00 0.00 C ATOM 1562 O SER A 98 -8.103 -6.203 -8.454 1.00 0.00 O ATOM 1563 CB SER A 98 -7.827 -9.125 -9.559 1.00 0.00 C ATOM 1564 OG SER A 98 -7.933 -10.542 -9.510 1.00 0.00 O ATOM 0 H SER A 98 -9.934 -10.074 -9.226 1.00 0.00 H new ATOM 0 HA SER A 98 -8.467 -8.522 -7.540 1.00 0.00 H new ATOM 0 HB2 SER A 98 -8.033 -8.774 -10.570 1.00 0.00 H new ATOM 0 HB3 SER A 98 -6.808 -8.822 -9.317 1.00 0.00 H new ATOM 0 HG SER A 98 -8.467 -10.857 -10.269 1.00 0.00 H new ATOM 1570 N ASP A 99 -9.973 -6.574 -9.656 1.00 0.00 N ATOM 1571 CA ASP A 99 -10.110 -5.195 -10.145 1.00 0.00 C ATOM 1572 C ASP A 99 -11.353 -4.501 -9.576 1.00 0.00 C ATOM 1573 O ASP A 99 -11.750 -3.427 -10.027 1.00 0.00 O ATOM 1574 CB ASP A 99 -10.066 -5.212 -11.681 1.00 0.00 C ATOM 1575 CG ASP A 99 -9.609 -3.900 -12.329 1.00 0.00 C ATOM 1576 OD1 ASP A 99 -8.689 -3.253 -11.786 1.00 0.00 O ATOM 1577 OD2 ASP A 99 -10.079 -3.612 -13.457 1.00 0.00 O ATOM 0 H ASP A 99 -10.732 -7.190 -9.948 1.00 0.00 H new ATOM 0 HA ASP A 99 -9.275 -4.593 -9.787 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -9.397 -6.011 -12.002 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -11.060 -5.458 -12.056 1.00 0.00 H new ATOM 1582 N ILE A 100 -11.961 -5.107 -8.554 1.00 0.00 N ATOM 1583 CA ILE A 100 -13.172 -4.632 -7.894 1.00 0.00 C ATOM 1584 C ILE A 100 -12.863 -4.316 -6.433 1.00 0.00 C ATOM 1585 O ILE A 100 -11.955 -4.880 -5.817 1.00 0.00 O ATOM 1586 CB ILE A 100 -14.317 -5.668 -8.093 1.00 0.00 C ATOM 1587 CG1 ILE A 100 -15.147 -5.231 -9.317 1.00 0.00 C ATOM 1588 CG2 ILE A 100 -15.251 -5.910 -6.887 1.00 0.00 C ATOM 1589 CD1 ILE A 100 -16.193 -6.243 -9.782 1.00 0.00 C ATOM 0 H ILE A 100 -11.607 -5.975 -8.151 1.00 0.00 H new ATOM 0 HA ILE A 100 -13.524 -3.702 -8.341 1.00 0.00 H new ATOM 0 HB ILE A 100 -13.822 -6.629 -8.232 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -15.650 -4.294 -9.080 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -14.467 -5.027 -10.144 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -16.004 -6.651 -7.153 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -14.667 -6.274 -6.042 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -15.742 -4.976 -6.614 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -16.724 -5.846 -10.647 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -15.700 -7.176 -10.056 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -16.902 -6.431 -8.975 1.00 0.00 H new ATOM 1601 N GLU A 101 -13.681 -3.425 -5.886 1.00 0.00 N ATOM 1602 CA GLU A 101 -13.750 -3.100 -4.476 1.00 0.00 C ATOM 1603 C GLU A 101 -15.190 -3.371 -4.056 1.00 0.00 C ATOM 1604 O GLU A 101 -16.121 -2.951 -4.745 1.00 0.00 O ATOM 1605 CB GLU A 101 -13.361 -1.629 -4.267 1.00 0.00 C ATOM 1606 CG GLU A 101 -13.509 -1.174 -2.807 1.00 0.00 C ATOM 1607 CD GLU A 101 -12.635 -1.987 -1.830 1.00 0.00 C ATOM 1608 OE1 GLU A 101 -13.001 -3.137 -1.496 1.00 0.00 O ATOM 1609 OE2 GLU A 101 -11.582 -1.473 -1.387 1.00 0.00 O ATOM 0 H GLU A 101 -14.344 -2.887 -6.444 1.00 0.00 H new ATOM 0 HA GLU A 101 -13.061 -3.694 -3.875 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -12.329 -1.482 -4.585 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -13.983 -1.000 -4.903 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -13.243 -0.120 -2.732 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -14.554 -1.261 -2.509 1.00 0.00 H new ATOM 1616 N ALA A 102 -15.375 -4.089 -2.952 1.00 0.00 N ATOM 1617 CA ALA A 102 -16.690 -4.437 -2.450 1.00 0.00 C ATOM 1618 C ALA A 102 -17.246 -3.282 -1.622 1.00 0.00 C ATOM 1619 O ALA A 102 -16.525 -2.661 -0.838 1.00 0.00 O ATOM 1620 CB ALA A 102 -16.577 -5.696 -1.597 1.00 0.00 C ATOM 0 H ALA A 102 -14.609 -4.445 -2.381 1.00 0.00 H new ATOM 0 HA ALA A 102 -17.369 -4.626 -3.282 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -17.561 -5.966 -1.215 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -16.187 -6.513 -2.204 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -15.902 -5.510 -0.762 1.00 0.00 H new ATOM 1626 N ILE A 103 -18.545 -3.036 -1.763 1.00 0.00 N ATOM 1627 CA ILE A 103 -19.281 -1.998 -1.053 1.00 0.00 C ATOM 1628 C ILE A 103 -20.524 -2.654 -0.431 1.00 0.00 C ATOM 1629 O ILE A 103 -21.147 -3.527 -1.036 1.00 0.00 O ATOM 1630 CB ILE A 103 -19.595 -0.857 -2.053 1.00 0.00 C ATOM 1631 CG1 ILE A 103 -18.293 -0.134 -2.478 1.00 0.00 C ATOM 1632 CG2 ILE A 103 -20.605 0.159 -1.489 1.00 0.00 C ATOM 1633 CD1 ILE A 103 -18.474 0.813 -3.666 1.00 0.00 C ATOM 0 H ILE A 103 -19.134 -3.574 -2.398 1.00 0.00 H new ATOM 0 HA ILE A 103 -18.714 -1.547 -0.238 1.00 0.00 H new ATOM 0 HB ILE A 103 -20.054 -1.320 -2.927 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -17.909 0.432 -1.629 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -17.540 -0.880 -2.731 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -20.790 0.937 -2.229 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -21.540 -0.349 -1.255 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -20.201 0.609 -0.582 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -17.520 1.283 -3.906 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -18.828 0.250 -4.529 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -19.203 1.582 -3.410 1.00 0.00 H new ATOM 1645 N ASP A 104 -20.887 -2.217 0.781 1.00 0.00 N ATOM 1646 CA ASP A 104 -22.079 -2.648 1.531 1.00 0.00 C ATOM 1647 C ASP A 104 -22.140 -4.167 1.798 1.00 0.00 C ATOM 1648 O ASP A 104 -23.206 -4.733 2.052 1.00 0.00 O ATOM 1649 CB ASP A 104 -23.352 -2.078 0.876 1.00 0.00 C ATOM 1650 CG ASP A 104 -24.601 -2.229 1.764 1.00 0.00 C ATOM 1651 OD1 ASP A 104 -24.568 -1.822 2.948 1.00 0.00 O ATOM 1652 OD2 ASP A 104 -25.653 -2.689 1.264 1.00 0.00 O ATOM 0 H ASP A 104 -20.337 -1.525 1.289 1.00 0.00 H new ATOM 0 HA ASP A 104 -22.005 -2.225 2.533 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -23.198 -1.023 0.651 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -23.524 -2.585 -0.074 1.00 0.00 H new ATOM 1657 N VAL A 105 -20.990 -4.843 1.748 1.00 0.00 N ATOM 1658 CA VAL A 105 -20.855 -6.259 2.084 1.00 0.00 C ATOM 1659 C VAL A 105 -20.794 -6.476 3.598 1.00 0.00 C ATOM 1660 O VAL A 105 -20.593 -5.539 4.378 1.00 0.00 O ATOM 1661 CB VAL A 105 -19.598 -6.854 1.417 1.00 0.00 C ATOM 1662 CG1 VAL A 105 -19.902 -7.166 -0.042 1.00 0.00 C ATOM 1663 CG2 VAL A 105 -18.347 -5.974 1.531 1.00 0.00 C ATOM 0 H VAL A 105 -20.110 -4.411 1.467 1.00 0.00 H new ATOM 0 HA VAL A 105 -21.739 -6.771 1.705 1.00 0.00 H new ATOM 0 HB VAL A 105 -19.357 -7.766 1.963 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -19.015 -7.587 -0.516 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -20.719 -7.885 -0.098 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -20.189 -6.250 -0.558 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -17.510 -6.466 1.036 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -18.535 -5.011 1.055 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -18.106 -5.818 2.583 1.00 0.00 H new ATOM 1673 N ASP A 106 -20.958 -7.739 3.998 1.00 0.00 N ATOM 1674 CA ASP A 106 -20.699 -8.173 5.370 1.00 0.00 C ATOM 1675 C ASP A 106 -19.183 -8.294 5.564 1.00 0.00 C ATOM 1676 O ASP A 106 -18.423 -8.375 4.595 1.00 0.00 O ATOM 1677 CB ASP A 106 -21.432 -9.486 5.708 1.00 0.00 C ATOM 1678 CG ASP A 106 -20.502 -10.692 5.921 1.00 0.00 C ATOM 1679 OD1 ASP A 106 -20.091 -11.309 4.916 1.00 0.00 O ATOM 1680 OD2 ASP A 106 -20.178 -11.007 7.088 1.00 0.00 O ATOM 0 H ASP A 106 -21.273 -8.487 3.380 1.00 0.00 H new ATOM 0 HA ASP A 106 -21.093 -7.430 6.064 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -22.025 -9.336 6.610 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -22.129 -9.717 4.903 1.00 0.00 H new ATOM 1685 N ASP A 107 -18.748 -8.313 6.823 1.00 0.00 N ATOM 1686 CA ASP A 107 -17.337 -8.371 7.180 1.00 0.00 C ATOM 1687 C ASP A 107 -16.641 -9.600 6.604 1.00 0.00 C ATOM 1688 O ASP A 107 -15.539 -9.467 6.082 1.00 0.00 O ATOM 1689 CB ASP A 107 -17.186 -8.345 8.704 1.00 0.00 C ATOM 1690 CG ASP A 107 -15.710 -8.444 9.122 1.00 0.00 C ATOM 1691 OD1 ASP A 107 -14.979 -7.435 9.002 1.00 0.00 O ATOM 1692 OD2 ASP A 107 -15.295 -9.506 9.638 1.00 0.00 O ATOM 0 H ASP A 107 -19.373 -8.288 7.629 1.00 0.00 H new ATOM 0 HA ASP A 107 -16.854 -7.496 6.745 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -17.617 -7.425 9.098 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -17.746 -9.172 9.141 1.00 0.00 H new ATOM 1697 N ASP A 108 -17.264 -10.782 6.644 1.00 0.00 N ATOM 1698 CA ASP A 108 -16.602 -12.010 6.201 1.00 0.00 C ATOM 1699 C ASP A 108 -16.418 -12.004 4.680 1.00 0.00 C ATOM 1700 O ASP A 108 -15.359 -12.367 4.169 1.00 0.00 O ATOM 1701 CB ASP A 108 -17.396 -13.244 6.655 1.00 0.00 C ATOM 1702 CG ASP A 108 -16.573 -14.546 6.661 1.00 0.00 C ATOM 1703 OD1 ASP A 108 -15.323 -14.511 6.719 1.00 0.00 O ATOM 1704 OD2 ASP A 108 -17.193 -15.633 6.700 1.00 0.00 O ATOM 0 H ASP A 108 -18.219 -10.913 6.976 1.00 0.00 H new ATOM 0 HA ASP A 108 -15.614 -12.056 6.660 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -17.784 -13.066 7.658 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -18.257 -13.372 5.999 1.00 0.00 H new ATOM 1709 N THR A 109 -17.426 -11.520 3.953 1.00 0.00 N ATOM 1710 CA THR A 109 -17.380 -11.293 2.516 1.00 0.00 C ATOM 1711 C THR A 109 -16.272 -10.290 2.174 1.00 0.00 C ATOM 1712 O THR A 109 -15.437 -10.586 1.316 1.00 0.00 O ATOM 1713 CB THR A 109 -18.778 -10.815 2.082 1.00 0.00 C ATOM 1714 OG1 THR A 109 -19.710 -11.812 2.407 1.00 0.00 O ATOM 1715 CG2 THR A 109 -18.971 -10.530 0.595 1.00 0.00 C ATOM 0 H THR A 109 -18.324 -11.268 4.366 1.00 0.00 H new ATOM 0 HA THR A 109 -17.135 -12.205 1.972 1.00 0.00 H new ATOM 0 HB THR A 109 -18.911 -9.868 2.605 1.00 0.00 H new ATOM 0 HG1 THR A 109 -20.150 -11.585 3.253 1.00 0.00 H new ATOM 0 HG21 THR A 109 -19.995 -10.201 0.417 1.00 0.00 H new ATOM 0 HG22 THR A 109 -18.279 -9.748 0.282 1.00 0.00 H new ATOM 0 HG23 THR A 109 -18.777 -11.437 0.022 1.00 0.00 H new ATOM 1723 N GLN A 110 -16.216 -9.137 2.854 1.00 0.00 N ATOM 1724 CA GLN A 110 -15.186 -8.136 2.602 1.00 0.00 C ATOM 1725 C GLN A 110 -13.803 -8.744 2.846 1.00 0.00 C ATOM 1726 O GLN A 110 -12.923 -8.619 1.998 1.00 0.00 O ATOM 1727 CB GLN A 110 -15.422 -6.891 3.480 1.00 0.00 C ATOM 1728 CG GLN A 110 -14.876 -5.595 2.854 1.00 0.00 C ATOM 1729 CD GLN A 110 -13.351 -5.577 2.713 1.00 0.00 C ATOM 1730 OE1 GLN A 110 -12.621 -5.609 3.699 1.00 0.00 O ATOM 1731 NE2 GLN A 110 -12.835 -5.526 1.494 1.00 0.00 N ATOM 0 H GLN A 110 -16.878 -8.879 3.585 1.00 0.00 H new ATOM 0 HA GLN A 110 -15.237 -7.817 1.561 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -16.491 -6.778 3.659 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -14.951 -7.044 4.451 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -15.325 -5.459 1.870 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -15.186 -4.747 3.465 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -13.450 -5.500 0.681 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -11.823 -5.513 1.369 1.00 0.00 H new ATOM 1740 N GLU A 111 -13.618 -9.441 3.968 1.00 0.00 N ATOM 1741 CA GLU A 111 -12.343 -10.034 4.334 1.00 0.00 C ATOM 1742 C GLU A 111 -11.911 -11.085 3.309 1.00 0.00 C ATOM 1743 O GLU A 111 -10.726 -11.152 2.995 1.00 0.00 O ATOM 1744 CB GLU A 111 -12.426 -10.638 5.746 1.00 0.00 C ATOM 1745 CG GLU A 111 -12.427 -9.575 6.858 1.00 0.00 C ATOM 1746 CD GLU A 111 -11.031 -8.962 7.078 1.00 0.00 C ATOM 1747 OE1 GLU A 111 -10.220 -9.543 7.835 1.00 0.00 O ATOM 1748 OE2 GLU A 111 -10.734 -7.884 6.516 1.00 0.00 O ATOM 0 H GLU A 111 -14.358 -9.608 4.650 1.00 0.00 H new ATOM 0 HA GLU A 111 -11.585 -9.250 4.338 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -13.332 -11.239 5.825 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -11.583 -11.312 5.897 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -13.133 -8.785 6.602 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -12.775 -10.025 7.788 1.00 0.00 H new ATOM 1755 N ALA A 112 -12.836 -11.870 2.744 1.00 0.00 N ATOM 1756 CA ALA A 112 -12.495 -12.872 1.737 1.00 0.00 C ATOM 1757 C ALA A 112 -11.976 -12.205 0.458 1.00 0.00 C ATOM 1758 O ALA A 112 -11.001 -12.663 -0.139 1.00 0.00 O ATOM 1759 CB ALA A 112 -13.717 -13.745 1.437 1.00 0.00 C ATOM 0 H ALA A 112 -13.830 -11.827 2.971 1.00 0.00 H new ATOM 0 HA ALA A 112 -11.699 -13.505 2.129 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -13.456 -14.490 0.685 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -14.038 -14.247 2.350 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -14.528 -13.120 1.062 1.00 0.00 H new ATOM 1765 N ILE A 113 -12.613 -11.107 0.047 1.00 0.00 N ATOM 1766 CA ILE A 113 -12.210 -10.344 -1.130 1.00 0.00 C ATOM 1767 C ILE A 113 -10.847 -9.696 -0.851 1.00 0.00 C ATOM 1768 O ILE A 113 -9.940 -9.789 -1.681 1.00 0.00 O ATOM 1769 CB ILE A 113 -13.326 -9.329 -1.478 1.00 0.00 C ATOM 1770 CG1 ILE A 113 -14.619 -10.091 -1.863 1.00 0.00 C ATOM 1771 CG2 ILE A 113 -12.895 -8.380 -2.610 1.00 0.00 C ATOM 1772 CD1 ILE A 113 -15.865 -9.209 -1.927 1.00 0.00 C ATOM 0 H ILE A 113 -13.427 -10.722 0.526 1.00 0.00 H new ATOM 0 HA ILE A 113 -12.085 -10.981 -2.006 1.00 0.00 H new ATOM 0 HB ILE A 113 -13.519 -8.714 -0.599 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -14.473 -10.567 -2.833 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -14.788 -10.888 -1.139 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -13.703 -7.682 -2.827 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -12.009 -7.825 -2.302 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -12.667 -8.960 -3.504 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -16.727 -9.816 -2.203 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -16.039 -8.754 -0.952 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -15.719 -8.427 -2.672 1.00 0.00 H new ATOM 1784 N ALA A 114 -10.675 -9.090 0.329 1.00 0.00 N ATOM 1785 CA ALA A 114 -9.420 -8.483 0.743 1.00 0.00 C ATOM 1786 C ALA A 114 -8.293 -9.517 0.751 1.00 0.00 C ATOM 1787 O ALA A 114 -7.191 -9.211 0.312 1.00 0.00 O ATOM 1788 CB ALA A 114 -9.581 -7.839 2.123 1.00 0.00 C ATOM 0 H ALA A 114 -11.416 -9.010 1.026 1.00 0.00 H new ATOM 0 HA ALA A 114 -9.153 -7.707 0.026 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -8.637 -7.387 2.426 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -10.353 -7.071 2.078 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -9.868 -8.600 2.849 1.00 0.00 H new ATOM 1794 N ASP A 115 -8.569 -10.743 1.200 1.00 0.00 N ATOM 1795 CA ASP A 115 -7.588 -11.825 1.264 1.00 0.00 C ATOM 1796 C ASP A 115 -7.038 -12.139 -0.131 1.00 0.00 C ATOM 1797 O ASP A 115 -5.819 -12.184 -0.315 1.00 0.00 O ATOM 1798 CB ASP A 115 -8.216 -13.071 1.911 1.00 0.00 C ATOM 1799 CG ASP A 115 -7.173 -14.124 2.304 1.00 0.00 C ATOM 1800 OD1 ASP A 115 -6.357 -14.550 1.464 1.00 0.00 O ATOM 1801 OD2 ASP A 115 -7.133 -14.518 3.491 1.00 0.00 O ATOM 0 H ASP A 115 -9.494 -11.015 1.534 1.00 0.00 H new ATOM 0 HA ASP A 115 -6.751 -11.505 1.884 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -8.776 -12.772 2.797 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -8.930 -13.514 1.217 1.00 0.00 H new ATOM 1806 N TRP A 116 -7.921 -12.258 -1.134 1.00 0.00 N ATOM 1807 CA TRP A 116 -7.494 -12.447 -2.518 1.00 0.00 C ATOM 1808 C TRP A 116 -6.650 -11.264 -2.991 1.00 0.00 C ATOM 1809 O TRP A 116 -5.609 -11.470 -3.613 1.00 0.00 O ATOM 1810 CB TRP A 116 -8.691 -12.661 -3.457 1.00 0.00 C ATOM 1811 CG TRP A 116 -8.320 -12.676 -4.913 1.00 0.00 C ATOM 1812 CD1 TRP A 116 -8.702 -11.758 -5.831 1.00 0.00 C ATOM 1813 CD2 TRP A 116 -7.405 -13.577 -5.619 1.00 0.00 C ATOM 1814 NE1 TRP A 116 -8.094 -12.026 -7.041 1.00 0.00 N ATOM 1815 CE2 TRP A 116 -7.280 -13.134 -6.968 1.00 0.00 C ATOM 1816 CE3 TRP A 116 -6.644 -14.710 -5.255 1.00 0.00 C ATOM 1817 CZ2 TRP A 116 -6.454 -13.783 -7.898 1.00 0.00 C ATOM 1818 CZ3 TRP A 116 -5.821 -15.377 -6.181 1.00 0.00 C ATOM 1819 CH2 TRP A 116 -5.726 -14.916 -7.505 1.00 0.00 C ATOM 0 H TRP A 116 -8.933 -12.226 -1.007 1.00 0.00 H new ATOM 0 HA TRP A 116 -6.882 -13.348 -2.550 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -9.176 -13.604 -3.205 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -9.422 -11.871 -3.285 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -9.381 -10.939 -5.645 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -8.231 -11.471 -7.886 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -6.695 -15.074 -4.239 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -6.379 -13.413 -8.910 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -5.260 -16.247 -5.873 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -5.096 -15.431 -8.216 1.00 0.00 H new ATOM 1830 N LEU A 117 -7.071 -10.032 -2.694 1.00 0.00 N ATOM 1831 CA LEU A 117 -6.357 -8.839 -3.136 1.00 0.00 C ATOM 1832 C LEU A 117 -4.954 -8.797 -2.516 1.00 0.00 C ATOM 1833 O LEU A 117 -3.985 -8.550 -3.233 1.00 0.00 O ATOM 1834 CB LEU A 117 -7.161 -7.573 -2.788 1.00 0.00 C ATOM 1835 CG LEU A 117 -8.453 -7.414 -3.619 1.00 0.00 C ATOM 1836 CD1 LEU A 117 -9.375 -6.380 -2.965 1.00 0.00 C ATOM 1837 CD2 LEU A 117 -8.158 -6.990 -5.062 1.00 0.00 C ATOM 0 H LEU A 117 -7.909 -9.838 -2.145 1.00 0.00 H new ATOM 0 HA LEU A 117 -6.244 -8.876 -4.219 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -7.420 -7.597 -1.730 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -6.530 -6.698 -2.942 1.00 0.00 H new ATOM 0 HG LEU A 117 -8.943 -8.387 -3.646 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -10.283 -6.275 -3.559 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -9.635 -6.709 -1.959 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -8.864 -5.419 -2.911 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -9.095 -6.890 -5.611 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -7.634 -6.034 -5.061 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -7.535 -7.744 -5.543 1.00 0.00 H new ATOM 1849 N TYR A 118 -4.822 -9.078 -1.214 1.00 0.00 N ATOM 1850 CA TYR A 118 -3.535 -9.106 -0.527 1.00 0.00 C ATOM 1851 C TYR A 118 -2.640 -10.199 -1.107 1.00 0.00 C ATOM 1852 O TYR A 118 -1.453 -9.957 -1.331 1.00 0.00 O ATOM 1853 CB TYR A 118 -3.707 -9.346 0.982 1.00 0.00 C ATOM 1854 CG TYR A 118 -4.516 -8.325 1.769 1.00 0.00 C ATOM 1855 CD1 TYR A 118 -4.459 -6.948 1.465 1.00 0.00 C ATOM 1856 CD2 TYR A 118 -5.311 -8.764 2.847 1.00 0.00 C ATOM 1857 CE1 TYR A 118 -5.209 -6.023 2.214 1.00 0.00 C ATOM 1858 CE2 TYR A 118 -6.064 -7.847 3.600 1.00 0.00 C ATOM 1859 CZ TYR A 118 -6.019 -6.470 3.285 1.00 0.00 C ATOM 1860 OH TYR A 118 -6.754 -5.588 4.020 1.00 0.00 O ATOM 0 H TYR A 118 -5.614 -9.293 -0.608 1.00 0.00 H new ATOM 0 HA TYR A 118 -3.069 -8.132 -0.676 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -4.175 -10.321 1.116 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -2.714 -9.405 1.428 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -3.836 -6.603 0.653 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -5.342 -9.814 3.096 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -5.167 -4.971 1.972 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -6.677 -8.194 4.419 1.00 0.00 H new ATOM 0 HH TYR A 118 -7.250 -6.073 4.713 1.00 0.00 H new ATOM 1870 N TRP A 119 -3.197 -11.379 -1.389 1.00 0.00 N ATOM 1871 CA TRP A 119 -2.445 -12.450 -1.996 1.00 0.00 C ATOM 1872 C TRP A 119 -1.976 -12.023 -3.377 1.00 0.00 C ATOM 1873 O TRP A 119 -0.787 -12.110 -3.648 1.00 0.00 O ATOM 1874 CB TRP A 119 -3.289 -13.724 -2.035 1.00 0.00 C ATOM 1875 CG TRP A 119 -2.583 -14.830 -2.734 1.00 0.00 C ATOM 1876 CD1 TRP A 119 -2.644 -15.056 -4.061 1.00 0.00 C ATOM 1877 CD2 TRP A 119 -1.582 -15.750 -2.210 1.00 0.00 C ATOM 1878 NE1 TRP A 119 -1.734 -16.032 -4.410 1.00 0.00 N ATOM 1879 CE2 TRP A 119 -1.053 -16.501 -3.302 1.00 0.00 C ATOM 1880 CE3 TRP A 119 -1.038 -15.990 -0.929 1.00 0.00 C ATOM 1881 CZ2 TRP A 119 -0.035 -17.448 -3.118 1.00 0.00 C ATOM 1882 CZ3 TRP A 119 -0.020 -16.943 -0.738 1.00 0.00 C ATOM 1883 CH2 TRP A 119 0.482 -17.671 -1.830 1.00 0.00 C ATOM 0 H TRP A 119 -4.173 -11.606 -1.201 1.00 0.00 H new ATOM 0 HA TRP A 119 -1.559 -12.670 -1.401 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -3.530 -14.032 -1.018 1.00 0.00 H new ATOM 0 HB3 TRP A 119 -4.234 -13.519 -2.539 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -3.306 -14.549 -4.748 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -1.583 -16.365 -5.362 1.00 0.00 H new ATOM 0 HE3 TRP A 119 -1.409 -15.433 -0.082 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 0.350 -18.003 -3.961 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 0.377 -17.115 0.252 1.00 0.00 H new ATOM 0 HH2 TRP A 119 1.264 -18.401 -1.680 1.00 0.00 H new ATOM 1894 N LEU A 120 -2.847 -11.496 -4.238 1.00 0.00 N ATOM 1895 CA LEU A 120 -2.444 -11.184 -5.602 1.00 0.00 C ATOM 1896 C LEU A 120 -1.407 -10.055 -5.619 1.00 0.00 C ATOM 1897 O LEU A 120 -0.538 -10.034 -6.488 1.00 0.00 O ATOM 1898 CB LEU A 120 -3.667 -10.864 -6.470 1.00 0.00 C ATOM 1899 CG LEU A 120 -3.334 -10.862 -7.976 1.00 0.00 C ATOM 1900 CD1 LEU A 120 -2.862 -12.237 -8.478 1.00 0.00 C ATOM 1901 CD2 LEU A 120 -4.576 -10.432 -8.754 1.00 0.00 C ATOM 0 H LEU A 120 -3.819 -11.281 -4.017 1.00 0.00 H new ATOM 0 HA LEU A 120 -1.966 -12.063 -6.034 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -4.450 -11.597 -6.275 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -4.065 -9.889 -6.187 1.00 0.00 H new ATOM 0 HG LEU A 120 -2.512 -10.164 -8.136 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -2.641 -12.179 -9.544 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -1.963 -12.533 -7.937 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -3.647 -12.975 -8.310 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -4.353 -10.427 -9.821 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -5.389 -11.131 -8.557 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -4.873 -9.431 -8.440 1.00 0.00 H new ATOM 1913 N ALA A 121 -1.451 -9.155 -4.631 1.00 0.00 N ATOM 1914 CA ALA A 121 -0.432 -8.138 -4.411 1.00 0.00 C ATOM 1915 C ALA A 121 0.913 -8.741 -3.967 1.00 0.00 C ATOM 1916 O ALA A 121 1.965 -8.198 -4.314 1.00 0.00 O ATOM 1917 CB ALA A 121 -0.970 -7.142 -3.383 1.00 0.00 C ATOM 0 H ALA A 121 -2.212 -9.117 -3.953 1.00 0.00 H new ATOM 0 HA ALA A 121 -0.225 -7.628 -5.352 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -0.224 -6.369 -3.201 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -1.882 -6.683 -3.764 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -1.188 -7.663 -2.451 1.00 0.00 H new