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 -159:sc= -0.368 (180deg=-0.5) USER MOD Set 1.2: A 74 CYS SG : rot 76:sc= 0.188 USER MOD Single : A 25 LYS NZ :NH3+ -139:sc= 2.4 (180deg=0.433) USER MOD Single : A 30 MET CE :methyl 138:sc= -0.737 (180deg=-3.97!) 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 24:sc= 1.39 USER MOD Single : A 39 THR OG1 : rot 79:sc= 1.28 USER MOD Single : A 45 MET CE :methyl -154:sc= -0.05 (180deg=-0.471) USER MOD Single : A 47 LYS NZ :NH3+ 165:sc= 1.06 (180deg=0.834) USER MOD Single : A 49 LYS NZ :NH3+ -178:sc= 2.43 (180deg=2.39) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 159:sc= 0.258 (180deg=-0.353!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.00761 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 168:sc= 0 (180deg=-0.136) 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 30:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ -157:sc= 1.13 (180deg=0.738) USER MOD Single : A 98 SER OG : rot 180:sc= 0.81 USER MOD Single : A 109 THR OG1 : rot 150:sc= 0.577 USER MOD Single : A 110 GLN : amide:sc= -0.366 X(o=-0.37,f=-0.37) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 346 N ALA A 22 -3.887 -30.008 -4.123 1.00 0.00 N ATOM 347 CA ALA A 22 -3.906 -29.423 -5.452 1.00 0.00 C ATOM 348 C ALA A 22 -2.465 -29.368 -5.972 1.00 0.00 C ATOM 349 O ALA A 22 -1.672 -28.530 -5.539 1.00 0.00 O ATOM 350 CB ALA A 22 -4.556 -28.041 -5.379 1.00 0.00 C ATOM 0 HA ALA A 22 -4.495 -30.022 -6.147 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -4.574 -27.595 -6.373 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.576 -28.138 -5.006 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -3.982 -27.404 -4.706 1.00 0.00 H new ATOM 356 N GLU A 23 -2.112 -30.291 -6.865 1.00 0.00 N ATOM 357 CA GLU A 23 -0.734 -30.504 -7.307 1.00 0.00 C ATOM 358 C GLU A 23 -0.295 -29.530 -8.414 1.00 0.00 C ATOM 359 O GLU A 23 0.895 -29.447 -8.719 1.00 0.00 O ATOM 360 CB GLU A 23 -0.568 -31.967 -7.759 1.00 0.00 C ATOM 361 CG GLU A 23 -1.403 -32.340 -8.996 1.00 0.00 C ATOM 362 CD GLU A 23 -1.202 -33.816 -9.387 1.00 0.00 C ATOM 363 OE1 GLU A 23 -0.262 -34.127 -10.154 1.00 0.00 O ATOM 364 OE2 GLU A 23 -1.992 -34.682 -8.947 1.00 0.00 O ATOM 0 H GLU A 23 -2.782 -30.920 -7.307 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.080 -30.300 -6.460 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.484 -32.152 -7.975 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.845 -32.624 -6.935 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.458 -32.156 -8.793 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.123 -31.699 -9.832 1.00 0.00 H new ATOM 371 N ASP A 24 -1.236 -28.803 -9.024 1.00 0.00 N ATOM 372 CA ASP A 24 -1.005 -28.007 -10.230 1.00 0.00 C ATOM 373 C ASP A 24 -1.823 -26.715 -10.166 1.00 0.00 C ATOM 374 O ASP A 24 -2.879 -26.684 -9.533 1.00 0.00 O ATOM 375 CB ASP A 24 -1.409 -28.865 -11.440 1.00 0.00 C ATOM 376 CG ASP A 24 -1.485 -28.055 -12.735 1.00 0.00 C ATOM 377 OD1 ASP A 24 -0.450 -27.867 -13.414 1.00 0.00 O ATOM 378 OD2 ASP A 24 -2.592 -27.576 -13.050 1.00 0.00 O ATOM 0 H ASP A 24 -2.197 -28.751 -8.686 1.00 0.00 H new ATOM 0 HA ASP A 24 0.044 -27.724 -10.317 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.689 -29.674 -11.564 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.377 -29.326 -11.247 1.00 0.00 H new ATOM 383 N LYS A 25 -1.345 -25.643 -10.810 1.00 0.00 N ATOM 384 CA LYS A 25 -1.975 -24.318 -10.781 1.00 0.00 C ATOM 385 C LYS A 25 -3.462 -24.315 -11.145 1.00 0.00 C ATOM 386 O LYS A 25 -4.194 -23.478 -10.623 1.00 0.00 O ATOM 387 CB LYS A 25 -1.171 -23.282 -11.605 1.00 0.00 C ATOM 388 CG LYS A 25 -1.259 -23.323 -13.146 1.00 0.00 C ATOM 389 CD LYS A 25 -0.894 -24.696 -13.714 1.00 0.00 C ATOM 390 CE LYS A 25 -0.798 -24.780 -15.238 1.00 0.00 C ATOM 391 NZ LYS A 25 -0.895 -26.193 -15.677 1.00 0.00 N ATOM 0 H LYS A 25 -0.496 -25.673 -11.375 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.945 -24.011 -9.736 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.486 -22.289 -11.283 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.121 -23.387 -11.332 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -2.271 -23.061 -13.457 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.592 -22.570 -13.566 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.063 -25.001 -13.291 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.637 -25.418 -13.375 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.596 -24.194 -15.693 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.145 -24.350 -15.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.211 -26.367 -16.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.685 -26.821 -14.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.857 -26.384 -16.023 1.00 0.00 H new ATOM 405 N GLU A 26 -3.933 -25.227 -11.998 1.00 0.00 N ATOM 406 CA GLU A 26 -5.338 -25.273 -12.390 1.00 0.00 C ATOM 407 C GLU A 26 -6.154 -25.822 -11.219 1.00 0.00 C ATOM 408 O GLU A 26 -7.191 -25.266 -10.860 1.00 0.00 O ATOM 409 CB GLU A 26 -5.500 -26.152 -13.642 1.00 0.00 C ATOM 410 CG GLU A 26 -4.801 -25.543 -14.871 1.00 0.00 C ATOM 411 CD GLU A 26 -4.651 -26.548 -16.026 1.00 0.00 C ATOM 412 OE1 GLU A 26 -5.667 -27.074 -16.536 1.00 0.00 O ATOM 413 OE2 GLU A 26 -3.501 -26.784 -16.464 1.00 0.00 O ATOM 0 H GLU A 26 -3.355 -25.947 -12.432 1.00 0.00 H new ATOM 0 HA GLU A 26 -5.698 -24.274 -12.635 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.089 -27.142 -13.445 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.560 -26.284 -13.857 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.370 -24.680 -15.217 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.815 -25.179 -14.581 1.00 0.00 H new ATOM 420 N GLU A 27 -5.651 -26.867 -10.557 1.00 0.00 N ATOM 421 CA GLU A 27 -6.276 -27.430 -9.366 1.00 0.00 C ATOM 422 C GLU A 27 -6.249 -26.399 -8.232 1.00 0.00 C ATOM 423 O GLU A 27 -7.204 -26.285 -7.466 1.00 0.00 O ATOM 424 CB GLU A 27 -5.556 -28.722 -8.940 1.00 0.00 C ATOM 425 CG GLU A 27 -5.546 -29.810 -10.024 1.00 0.00 C ATOM 426 CD GLU A 27 -6.960 -30.291 -10.401 1.00 0.00 C ATOM 427 OE1 GLU A 27 -7.635 -30.929 -9.562 1.00 0.00 O ATOM 428 OE2 GLU A 27 -7.403 -30.061 -11.548 1.00 0.00 O ATOM 0 H GLU A 27 -4.795 -27.346 -10.836 1.00 0.00 H new ATOM 0 HA GLU A 27 -7.313 -27.679 -9.593 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -4.528 -28.482 -8.669 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.037 -29.117 -8.045 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.049 -29.425 -10.914 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.960 -30.660 -9.674 1.00 0.00 H new ATOM 435 N ARG A 28 -5.175 -25.610 -8.131 1.00 0.00 N ATOM 436 CA ARG A 28 -5.043 -24.577 -7.104 1.00 0.00 C ATOM 437 C ARG A 28 -6.019 -23.429 -7.362 1.00 0.00 C ATOM 438 O ARG A 28 -6.563 -22.886 -6.400 1.00 0.00 O ATOM 439 CB ARG A 28 -3.580 -24.103 -7.020 1.00 0.00 C ATOM 440 CG ARG A 28 -2.664 -25.231 -6.509 1.00 0.00 C ATOM 441 CD ARG A 28 -1.173 -24.978 -6.731 1.00 0.00 C ATOM 442 NE ARG A 28 -0.393 -26.156 -6.332 1.00 0.00 N ATOM 443 CZ ARG A 28 0.897 -26.389 -6.584 1.00 0.00 C ATOM 444 NH1 ARG A 28 1.621 -25.551 -7.320 1.00 0.00 N ATOM 445 NH2 ARG A 28 1.453 -27.484 -6.075 1.00 0.00 N ATOM 0 H ARG A 28 -4.374 -25.671 -8.760 1.00 0.00 H new ATOM 0 HA ARG A 28 -5.306 -24.996 -6.133 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.244 -23.773 -8.003 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.510 -23.243 -6.354 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.842 -25.373 -5.443 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.941 -26.161 -7.005 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -0.988 -24.749 -7.781 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -0.854 -24.110 -6.154 1.00 0.00 H new ATOM 0 HE ARG A 28 -0.891 -26.874 -5.805 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.192 -24.709 -7.705 1.00 0.00 H new ATOM 0 HH12 ARG A 28 2.605 -25.750 -7.499 1.00 0.00 H new ATOM 0 HH21 ARG A 28 0.896 -28.122 -5.507 1.00 0.00 H new ATOM 0 HH22 ARG A 28 2.437 -27.686 -6.252 1.00 0.00 H new ATOM 459 N ALA A 29 -6.308 -23.109 -8.628 1.00 0.00 N ATOM 460 CA ALA A 29 -7.364 -22.166 -8.970 1.00 0.00 C ATOM 461 C ALA A 29 -8.724 -22.723 -8.539 1.00 0.00 C ATOM 462 O ALA A 29 -9.536 -21.974 -8.001 1.00 0.00 O ATOM 463 CB ALA A 29 -7.352 -21.853 -10.470 1.00 0.00 C ATOM 0 H ALA A 29 -5.818 -23.496 -9.434 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.185 -21.233 -8.435 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -8.150 -21.147 -10.701 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.391 -21.417 -10.743 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -7.507 -22.772 -11.035 1.00 0.00 H new ATOM 469 N MET A 30 -8.974 -24.027 -8.718 1.00 0.00 N ATOM 470 CA MET A 30 -10.212 -24.649 -8.247 1.00 0.00 C ATOM 471 C MET A 30 -10.310 -24.624 -6.723 1.00 0.00 C ATOM 472 O MET A 30 -11.389 -24.346 -6.207 1.00 0.00 O ATOM 473 CB MET A 30 -10.371 -26.079 -8.782 1.00 0.00 C ATOM 474 CG MET A 30 -10.489 -26.159 -10.309 1.00 0.00 C ATOM 475 SD MET A 30 -11.948 -25.376 -11.061 1.00 0.00 S ATOM 476 CE MET A 30 -11.409 -23.650 -11.221 1.00 0.00 C ATOM 0 H MET A 30 -8.334 -24.669 -9.186 1.00 0.00 H new ATOM 0 HA MET A 30 -11.035 -24.054 -8.644 1.00 0.00 H new ATOM 0 HB2 MET A 30 -9.516 -26.674 -8.461 1.00 0.00 H new ATOM 0 HB3 MET A 30 -11.258 -26.528 -8.334 1.00 0.00 H new ATOM 0 HG2 MET A 30 -9.598 -25.705 -10.743 1.00 0.00 H new ATOM 0 HG3 MET A 30 -10.482 -27.211 -10.596 1.00 0.00 H new ATOM 0 HE1 MET A 30 -11.726 -23.258 -12.188 1.00 0.00 H new ATOM 0 HE2 MET A 30 -11.855 -23.054 -10.424 1.00 0.00 H new ATOM 0 HE3 MET A 30 -10.323 -23.600 -11.147 1.00 0.00 H new ATOM 486 N GLY A 31 -9.212 -24.856 -5.998 1.00 0.00 N ATOM 487 CA GLY A 31 -9.192 -24.758 -4.541 1.00 0.00 C ATOM 488 C GLY A 31 -9.584 -23.352 -4.087 1.00 0.00 C ATOM 489 O GLY A 31 -10.497 -23.198 -3.268 1.00 0.00 O ATOM 0 H GLY A 31 -8.314 -25.117 -6.407 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.879 -25.488 -4.113 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -8.197 -25.001 -4.169 1.00 0.00 H new ATOM 493 N TRP A 32 -8.953 -22.328 -4.676 1.00 0.00 N ATOM 494 CA TRP A 32 -9.312 -20.937 -4.445 1.00 0.00 C ATOM 495 C TRP A 32 -10.795 -20.693 -4.730 1.00 0.00 C ATOM 496 O TRP A 32 -11.506 -20.189 -3.863 1.00 0.00 O ATOM 497 CB TRP A 32 -8.451 -20.004 -5.309 1.00 0.00 C ATOM 498 CG TRP A 32 -7.272 -19.426 -4.605 1.00 0.00 C ATOM 499 CD1 TRP A 32 -6.012 -19.908 -4.633 1.00 0.00 C ATOM 500 CD2 TRP A 32 -7.240 -18.261 -3.728 1.00 0.00 C ATOM 501 NE1 TRP A 32 -5.195 -19.105 -3.864 1.00 0.00 N ATOM 502 CE2 TRP A 32 -5.904 -18.084 -3.264 1.00 0.00 C ATOM 503 CE3 TRP A 32 -8.215 -17.352 -3.259 1.00 0.00 C ATOM 504 CZ2 TRP A 32 -5.559 -17.063 -2.368 1.00 0.00 C ATOM 505 CZ3 TRP A 32 -7.877 -16.330 -2.351 1.00 0.00 C ATOM 506 CH2 TRP A 32 -6.553 -16.190 -1.900 1.00 0.00 C ATOM 0 H TRP A 32 -8.177 -22.449 -5.327 1.00 0.00 H new ATOM 0 HA TRP A 32 -9.124 -20.718 -3.394 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -8.103 -20.556 -6.182 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -9.075 -19.189 -5.675 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -5.692 -20.787 -5.174 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -4.191 -19.248 -3.753 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -9.235 -17.442 -3.602 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -4.536 -16.949 -2.040 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -8.639 -15.650 -1.999 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -6.301 -15.412 -1.195 1.00 0.00 H new ATOM 517 N TYR A 33 -11.262 -21.065 -5.925 1.00 0.00 N ATOM 518 CA TYR A 33 -12.630 -20.827 -6.361 1.00 0.00 C ATOM 519 C TYR A 33 -13.617 -21.461 -5.382 1.00 0.00 C ATOM 520 O TYR A 33 -14.584 -20.814 -4.988 1.00 0.00 O ATOM 521 CB TYR A 33 -12.834 -21.386 -7.780 1.00 0.00 C ATOM 522 CG TYR A 33 -14.295 -21.498 -8.175 1.00 0.00 C ATOM 523 CD1 TYR A 33 -14.979 -20.379 -8.682 1.00 0.00 C ATOM 524 CD2 TYR A 33 -14.997 -22.697 -7.934 1.00 0.00 C ATOM 525 CE1 TYR A 33 -16.355 -20.456 -8.957 1.00 0.00 C ATOM 526 CE2 TYR A 33 -16.381 -22.767 -8.168 1.00 0.00 C ATOM 527 CZ TYR A 33 -17.066 -21.648 -8.695 1.00 0.00 C ATOM 528 OH TYR A 33 -18.407 -21.727 -8.929 1.00 0.00 O ATOM 0 H TYR A 33 -10.690 -21.545 -6.620 1.00 0.00 H new ATOM 0 HA TYR A 33 -12.814 -19.753 -6.382 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -12.320 -20.743 -8.494 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -12.370 -22.370 -7.846 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -14.445 -19.457 -8.861 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -14.469 -23.565 -7.568 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -16.870 -19.601 -9.370 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -16.921 -23.675 -7.945 1.00 0.00 H new ATOM 0 HH TYR A 33 -18.728 -22.622 -8.692 1.00 0.00 H new ATOM 538 N TYR A 34 -13.367 -22.711 -4.982 1.00 0.00 N ATOM 539 CA TYR A 34 -14.271 -23.491 -4.164 1.00 0.00 C ATOM 540 C TYR A 34 -14.542 -22.774 -2.843 1.00 0.00 C ATOM 541 O TYR A 34 -15.706 -22.514 -2.525 1.00 0.00 O ATOM 542 CB TYR A 34 -13.664 -24.887 -3.960 1.00 0.00 C ATOM 543 CG TYR A 34 -14.265 -25.663 -2.809 1.00 0.00 C ATOM 544 CD1 TYR A 34 -15.539 -26.244 -2.931 1.00 0.00 C ATOM 545 CD2 TYR A 34 -13.554 -25.764 -1.599 1.00 0.00 C ATOM 546 CE1 TYR A 34 -16.104 -26.934 -1.844 1.00 0.00 C ATOM 547 CE2 TYR A 34 -14.112 -26.451 -0.506 1.00 0.00 C ATOM 548 CZ TYR A 34 -15.393 -27.041 -0.625 1.00 0.00 C ATOM 549 OH TYR A 34 -15.952 -27.712 0.422 1.00 0.00 O ATOM 0 H TYR A 34 -12.512 -23.209 -5.228 1.00 0.00 H new ATOM 0 HA TYR A 34 -15.235 -23.605 -4.659 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -13.790 -25.463 -4.877 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -12.592 -24.784 -3.793 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -16.084 -26.160 -3.860 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -12.577 -25.313 -1.509 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -17.082 -27.383 -1.939 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -13.564 -26.528 0.422 1.00 0.00 H new ATOM 0 HH TYR A 34 -15.338 -27.697 1.186 1.00 0.00 H new ATOM 559 N TYR A 35 -13.494 -22.425 -2.085 1.00 0.00 N ATOM 560 CA TYR A 35 -13.716 -21.811 -0.781 1.00 0.00 C ATOM 561 C TYR A 35 -14.210 -20.370 -0.945 1.00 0.00 C ATOM 562 O TYR A 35 -15.040 -19.924 -0.154 1.00 0.00 O ATOM 563 CB TYR A 35 -12.476 -21.908 0.121 1.00 0.00 C ATOM 564 CG TYR A 35 -11.600 -20.670 0.158 1.00 0.00 C ATOM 565 CD1 TYR A 35 -10.614 -20.479 -0.823 1.00 0.00 C ATOM 566 CD2 TYR A 35 -11.794 -19.696 1.157 1.00 0.00 C ATOM 567 CE1 TYR A 35 -9.794 -19.339 -0.795 1.00 0.00 C ATOM 568 CE2 TYR A 35 -10.988 -18.546 1.189 1.00 0.00 C ATOM 569 CZ TYR A 35 -9.976 -18.366 0.218 1.00 0.00 C ATOM 570 OH TYR A 35 -9.187 -17.260 0.277 1.00 0.00 O ATOM 0 H TYR A 35 -12.516 -22.554 -2.345 1.00 0.00 H new ATOM 0 HA TYR A 35 -14.499 -22.372 -0.272 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -12.803 -22.132 1.137 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -11.871 -22.751 -0.212 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -10.485 -21.213 -1.604 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -12.565 -19.834 1.901 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -9.027 -19.205 -1.544 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -11.141 -17.800 1.955 1.00 0.00 H new ATOM 0 HH TYR A 35 -8.816 -17.075 -0.611 1.00 0.00 H new ATOM 580 N LEU A 36 -13.730 -19.641 -1.959 1.00 0.00 N ATOM 581 CA LEU A 36 -14.094 -18.247 -2.163 1.00 0.00 C ATOM 582 C LEU A 36 -15.582 -18.142 -2.492 1.00 0.00 C ATOM 583 O LEU A 36 -16.291 -17.388 -1.832 1.00 0.00 O ATOM 584 CB LEU A 36 -13.216 -17.645 -3.269 1.00 0.00 C ATOM 585 CG LEU A 36 -13.529 -16.179 -3.615 1.00 0.00 C ATOM 586 CD1 LEU A 36 -13.414 -15.232 -2.414 1.00 0.00 C ATOM 587 CD2 LEU A 36 -12.550 -15.722 -4.701 1.00 0.00 C ATOM 0 H LEU A 36 -13.081 -20.006 -2.656 1.00 0.00 H new ATOM 0 HA LEU A 36 -13.920 -17.677 -1.250 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.172 -17.717 -2.964 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -13.327 -18.248 -4.170 1.00 0.00 H new ATOM 0 HG LEU A 36 -14.565 -16.137 -3.952 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -13.648 -14.215 -2.729 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -14.114 -15.542 -1.638 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -12.398 -15.265 -2.020 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -12.755 -14.684 -4.962 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -11.529 -15.809 -4.330 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -12.669 -16.348 -5.585 1.00 0.00 H new ATOM 599 N ASP A 37 -16.074 -18.932 -3.449 1.00 0.00 N ATOM 600 CA ASP A 37 -17.485 -18.952 -3.825 1.00 0.00 C ATOM 601 C ASP A 37 -18.360 -19.343 -2.634 1.00 0.00 C ATOM 602 O ASP A 37 -19.410 -18.742 -2.413 1.00 0.00 O ATOM 603 CB ASP A 37 -17.718 -19.931 -4.980 1.00 0.00 C ATOM 604 CG ASP A 37 -19.211 -20.004 -5.336 1.00 0.00 C ATOM 605 OD1 ASP A 37 -19.723 -19.060 -5.977 1.00 0.00 O ATOM 606 OD2 ASP A 37 -19.866 -21.016 -4.998 1.00 0.00 O ATOM 0 H ASP A 37 -15.498 -19.580 -3.987 1.00 0.00 H new ATOM 0 HA ASP A 37 -17.760 -17.948 -4.147 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -17.146 -19.615 -5.852 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -17.356 -20.921 -4.703 1.00 0.00 H new ATOM 611 N ASP A 38 -17.902 -20.310 -1.833 1.00 0.00 N ATOM 612 CA ASP A 38 -18.584 -20.727 -0.606 1.00 0.00 C ATOM 613 C ASP A 38 -18.599 -19.637 0.483 1.00 0.00 C ATOM 614 O ASP A 38 -19.498 -19.630 1.326 1.00 0.00 O ATOM 615 CB ASP A 38 -17.937 -22.006 -0.059 1.00 0.00 C ATOM 616 CG ASP A 38 -18.646 -22.503 1.212 1.00 0.00 C ATOM 617 OD1 ASP A 38 -19.798 -22.986 1.117 1.00 0.00 O ATOM 618 OD2 ASP A 38 -18.040 -22.463 2.307 1.00 0.00 O ATOM 0 H ASP A 38 -17.043 -20.828 -2.019 1.00 0.00 H new ATOM 0 HA ASP A 38 -19.624 -20.915 -0.873 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -17.968 -22.784 -0.821 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -16.886 -21.817 0.161 1.00 0.00 H new ATOM 623 N THR A 39 -17.642 -18.702 0.471 1.00 0.00 N ATOM 624 CA THR A 39 -17.487 -17.689 1.516 1.00 0.00 C ATOM 625 C THR A 39 -18.182 -16.375 1.137 1.00 0.00 C ATOM 626 O THR A 39 -18.740 -15.716 2.016 1.00 0.00 O ATOM 627 CB THR A 39 -15.989 -17.465 1.797 1.00 0.00 C ATOM 628 OG1 THR A 39 -15.378 -18.682 2.175 1.00 0.00 O ATOM 629 CG2 THR A 39 -15.753 -16.447 2.920 1.00 0.00 C ATOM 0 H THR A 39 -16.948 -18.628 -0.273 1.00 0.00 H new ATOM 0 HA THR A 39 -17.969 -18.050 2.424 1.00 0.00 H new ATOM 0 HB THR A 39 -15.553 -17.078 0.876 1.00 0.00 H new ATOM 0 HG1 THR A 39 -15.209 -19.225 1.377 1.00 0.00 H new ATOM 0 HG21 THR A 39 -14.682 -16.324 3.080 1.00 0.00 H new ATOM 0 HG22 THR A 39 -16.191 -15.489 2.640 1.00 0.00 H new ATOM 0 HG23 THR A 39 -16.219 -16.804 3.839 1.00 0.00 H new ATOM 637 N LEU A 40 -18.166 -15.991 -0.144 1.00 0.00 N ATOM 638 CA LEU A 40 -18.836 -14.787 -0.623 1.00 0.00 C ATOM 639 C LEU A 40 -20.335 -14.938 -0.355 1.00 0.00 C ATOM 640 O LEU A 40 -20.968 -15.841 -0.903 1.00 0.00 O ATOM 641 CB LEU A 40 -18.588 -14.586 -2.132 1.00 0.00 C ATOM 642 CG LEU A 40 -17.147 -14.216 -2.537 1.00 0.00 C ATOM 643 CD1 LEU A 40 -17.006 -14.300 -4.061 1.00 0.00 C ATOM 644 CD2 LEU A 40 -16.718 -12.828 -2.069 1.00 0.00 C ATOM 0 H LEU A 40 -17.685 -16.512 -0.877 1.00 0.00 H new ATOM 0 HA LEU A 40 -18.441 -13.915 -0.101 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -18.866 -15.503 -2.651 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -19.257 -13.803 -2.489 1.00 0.00 H new ATOM 0 HG LEU A 40 -16.492 -14.933 -2.041 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -15.987 -14.038 -4.347 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -17.226 -15.315 -4.391 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -17.704 -13.606 -4.530 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -15.694 -12.636 -2.390 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -17.380 -12.078 -2.501 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -16.773 -12.777 -0.982 1.00 0.00 H new ATOM 656 N GLU A 41 -20.930 -14.051 0.444 1.00 0.00 N ATOM 657 CA GLU A 41 -22.367 -14.042 0.721 1.00 0.00 C ATOM 658 C GLU A 41 -23.095 -13.282 -0.401 1.00 0.00 C ATOM 659 O GLU A 41 -23.822 -12.315 -0.162 1.00 0.00 O ATOM 660 CB GLU A 41 -22.656 -13.492 2.131 1.00 0.00 C ATOM 661 CG GLU A 41 -22.042 -14.371 3.234 1.00 0.00 C ATOM 662 CD GLU A 41 -22.722 -14.161 4.601 1.00 0.00 C ATOM 663 OE1 GLU A 41 -22.800 -13.014 5.094 1.00 0.00 O ATOM 664 OE2 GLU A 41 -23.187 -15.156 5.205 1.00 0.00 O ATOM 0 H GLU A 41 -20.420 -13.309 0.923 1.00 0.00 H new ATOM 0 HA GLU A 41 -22.754 -15.061 0.725 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -22.260 -12.480 2.213 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -23.734 -13.425 2.279 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -22.125 -15.419 2.947 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -20.979 -14.148 3.322 1.00 0.00 H new ATOM 671 N PHE A 42 -22.821 -13.675 -1.648 1.00 0.00 N ATOM 672 CA PHE A 42 -23.367 -13.054 -2.850 1.00 0.00 C ATOM 673 C PHE A 42 -24.906 -13.165 -2.910 1.00 0.00 C ATOM 674 O PHE A 42 -25.469 -14.082 -2.300 1.00 0.00 O ATOM 675 CB PHE A 42 -22.677 -13.658 -4.089 1.00 0.00 C ATOM 676 CG PHE A 42 -22.981 -15.121 -4.371 1.00 0.00 C ATOM 677 CD1 PHE A 42 -24.169 -15.484 -5.037 1.00 0.00 C ATOM 678 CD2 PHE A 42 -22.065 -16.123 -3.997 1.00 0.00 C ATOM 679 CE1 PHE A 42 -24.448 -16.836 -5.307 1.00 0.00 C ATOM 680 CE2 PHE A 42 -22.346 -17.474 -4.263 1.00 0.00 C ATOM 681 CZ PHE A 42 -23.538 -17.833 -4.917 1.00 0.00 C ATOM 0 H PHE A 42 -22.196 -14.455 -1.851 1.00 0.00 H new ATOM 0 HA PHE A 42 -23.157 -11.985 -2.827 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -22.964 -13.072 -4.962 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -21.599 -13.547 -3.971 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -24.869 -14.720 -5.342 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -21.143 -15.852 -3.504 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -25.362 -17.108 -5.814 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -21.644 -18.239 -3.964 1.00 0.00 H new ATOM 0 HZ PHE A 42 -23.753 -18.872 -5.119 1.00 0.00 H new ATOM 691 N PRO A 43 -25.605 -12.299 -3.675 1.00 0.00 N ATOM 692 CA PRO A 43 -25.077 -11.130 -4.380 1.00 0.00 C ATOM 693 C PRO A 43 -24.637 -10.028 -3.404 1.00 0.00 C ATOM 694 O PRO A 43 -25.121 -9.946 -2.273 1.00 0.00 O ATOM 695 CB PRO A 43 -26.215 -10.654 -5.289 1.00 0.00 C ATOM 696 CG PRO A 43 -27.472 -11.079 -4.534 1.00 0.00 C ATOM 697 CD PRO A 43 -27.046 -12.387 -3.867 1.00 0.00 C ATOM 0 HA PRO A 43 -24.184 -11.381 -4.952 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -26.183 -9.575 -5.441 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -26.162 -11.117 -6.275 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -27.774 -10.332 -3.800 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -28.317 -11.225 -5.207 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -27.557 -12.522 -2.914 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -27.303 -13.243 -4.491 1.00 0.00 H new ATOM 705 N PHE A 44 -23.719 -9.178 -3.860 1.00 0.00 N ATOM 706 CA PHE A 44 -23.199 -8.023 -3.131 1.00 0.00 C ATOM 707 C PHE A 44 -22.953 -6.893 -4.134 1.00 0.00 C ATOM 708 O PHE A 44 -23.399 -6.987 -5.278 1.00 0.00 O ATOM 709 CB PHE A 44 -21.954 -8.415 -2.313 1.00 0.00 C ATOM 710 CG PHE A 44 -20.717 -8.887 -3.069 1.00 0.00 C ATOM 711 CD1 PHE A 44 -20.597 -10.229 -3.480 1.00 0.00 C ATOM 712 CD2 PHE A 44 -19.631 -8.013 -3.272 1.00 0.00 C ATOM 713 CE1 PHE A 44 -19.411 -10.693 -4.075 1.00 0.00 C ATOM 714 CE2 PHE A 44 -18.441 -8.474 -3.863 1.00 0.00 C ATOM 715 CZ PHE A 44 -18.327 -9.818 -4.256 1.00 0.00 C ATOM 0 H PHE A 44 -23.300 -9.279 -4.785 1.00 0.00 H new ATOM 0 HA PHE A 44 -23.920 -7.662 -2.398 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -21.667 -7.554 -1.709 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -22.245 -9.206 -1.622 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -21.424 -10.908 -3.337 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -19.713 -6.979 -2.971 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -19.333 -11.722 -4.393 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -17.615 -7.795 -4.015 1.00 0.00 H new ATOM 0 HZ PHE A 44 -17.409 -10.177 -4.696 1.00 0.00 H new ATOM 725 N MET A 45 -22.271 -5.813 -3.748 1.00 0.00 N ATOM 726 CA MET A 45 -21.940 -4.735 -4.671 1.00 0.00 C ATOM 727 C MET A 45 -20.488 -4.296 -4.529 1.00 0.00 C ATOM 728 O MET A 45 -19.787 -4.664 -3.586 1.00 0.00 O ATOM 729 CB MET A 45 -22.940 -3.575 -4.531 1.00 0.00 C ATOM 730 CG MET A 45 -22.716 -2.660 -3.317 1.00 0.00 C ATOM 731 SD MET A 45 -23.167 -0.923 -3.593 1.00 0.00 S ATOM 732 CE MET A 45 -21.896 -0.428 -4.800 1.00 0.00 C ATOM 0 H MET A 45 -21.937 -5.665 -2.796 1.00 0.00 H new ATOM 0 HA MET A 45 -22.034 -5.112 -5.689 1.00 0.00 H new ATOM 0 HB2 MET A 45 -22.897 -2.968 -5.436 1.00 0.00 H new ATOM 0 HB3 MET A 45 -23.946 -3.989 -4.473 1.00 0.00 H new ATOM 0 HG2 MET A 45 -23.295 -3.044 -2.477 1.00 0.00 H new ATOM 0 HG3 MET A 45 -21.666 -2.709 -3.030 1.00 0.00 H new ATOM 0 HE1 MET A 45 -21.727 0.647 -4.730 1.00 0.00 H new ATOM 0 HE2 MET A 45 -20.967 -0.956 -4.587 1.00 0.00 H new ATOM 0 HE3 MET A 45 -22.233 -0.678 -5.806 1.00 0.00 H new ATOM 742 N GLY A 46 -20.037 -3.485 -5.474 1.00 0.00 N ATOM 743 CA GLY A 46 -18.681 -2.997 -5.491 1.00 0.00 C ATOM 744 C GLY A 46 -18.513 -1.875 -6.488 1.00 0.00 C ATOM 745 O GLY A 46 -19.455 -1.446 -7.159 1.00 0.00 O ATOM 0 H GLY A 46 -20.609 -3.150 -6.250 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -18.406 -2.646 -4.496 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -18.002 -3.812 -5.740 1.00 0.00 H new ATOM 749 N LYS A 47 -17.275 -1.418 -6.580 1.00 0.00 N ATOM 750 CA LYS A 47 -16.825 -0.502 -7.606 1.00 0.00 C ATOM 751 C LYS A 47 -15.793 -1.251 -8.433 1.00 0.00 C ATOM 752 O LYS A 47 -14.807 -1.743 -7.887 1.00 0.00 O ATOM 753 CB LYS A 47 -16.231 0.751 -6.946 1.00 0.00 C ATOM 754 CG LYS A 47 -16.066 1.886 -7.965 1.00 0.00 C ATOM 755 CD LYS A 47 -17.343 2.739 -8.072 1.00 0.00 C ATOM 756 CE LYS A 47 -17.614 3.773 -6.957 1.00 0.00 C ATOM 757 NZ LYS A 47 -16.431 4.206 -6.162 1.00 0.00 N ATOM 0 H LYS A 47 -16.539 -1.683 -5.925 1.00 0.00 H new ATOM 0 HA LYS A 47 -17.640 -0.167 -8.248 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -16.879 1.079 -6.133 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -15.264 0.510 -6.506 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -15.228 2.519 -7.673 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -15.824 1.467 -8.942 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -17.311 3.272 -9.022 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -18.196 2.061 -8.115 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -18.064 4.656 -7.410 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -18.352 3.354 -6.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -16.668 5.066 -5.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -16.162 3.450 -5.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -15.636 4.404 -6.802 1.00 0.00 H new ATOM 771 N TRP A 48 -16.016 -1.357 -9.737 1.00 0.00 N ATOM 772 CA TRP A 48 -15.015 -1.847 -10.669 1.00 0.00 C ATOM 773 C TRP A 48 -14.052 -0.680 -10.872 1.00 0.00 C ATOM 774 O TRP A 48 -14.414 0.323 -11.490 1.00 0.00 O ATOM 775 CB TRP A 48 -15.693 -2.319 -11.966 1.00 0.00 C ATOM 776 CG TRP A 48 -14.848 -3.060 -12.963 1.00 0.00 C ATOM 777 CD1 TRP A 48 -13.498 -3.142 -12.979 1.00 0.00 C ATOM 778 CD2 TRP A 48 -15.289 -3.849 -14.114 1.00 0.00 C ATOM 779 NE1 TRP A 48 -13.080 -3.928 -14.025 1.00 0.00 N ATOM 780 CE2 TRP A 48 -14.141 -4.411 -14.751 1.00 0.00 C ATOM 781 CE3 TRP A 48 -16.543 -4.144 -14.691 1.00 0.00 C ATOM 782 CZ2 TRP A 48 -14.230 -5.238 -15.878 1.00 0.00 C ATOM 783 CZ3 TRP A 48 -16.648 -4.975 -15.825 1.00 0.00 C ATOM 784 CH2 TRP A 48 -15.494 -5.527 -16.411 1.00 0.00 C ATOM 0 H TRP A 48 -16.901 -1.104 -10.177 1.00 0.00 H new ATOM 0 HA TRP A 48 -14.469 -2.716 -10.303 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -16.531 -2.961 -11.693 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -16.111 -1.444 -12.464 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -12.842 -2.658 -12.270 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -12.102 -4.128 -14.236 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -17.438 -3.725 -14.256 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -13.338 -5.647 -16.330 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -17.619 -5.189 -16.246 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -15.582 -6.174 -17.272 1.00 0.00 H new ATOM 795 N LYS A 49 -12.852 -0.781 -10.296 1.00 0.00 N ATOM 796 CA LYS A 49 -11.796 0.236 -10.339 1.00 0.00 C ATOM 797 C LYS A 49 -11.009 0.064 -11.650 1.00 0.00 C ATOM 798 O LYS A 49 -9.786 -0.072 -11.635 1.00 0.00 O ATOM 799 CB LYS A 49 -10.879 0.074 -9.102 1.00 0.00 C ATOM 800 CG LYS A 49 -11.588 -0.048 -7.741 1.00 0.00 C ATOM 801 CD LYS A 49 -12.335 1.205 -7.266 1.00 0.00 C ATOM 802 CE LYS A 49 -11.374 2.269 -6.718 1.00 0.00 C ATOM 803 NZ LYS A 49 -12.052 3.177 -5.762 1.00 0.00 N ATOM 0 H LYS A 49 -12.577 -1.607 -9.765 1.00 0.00 H new ATOM 0 HA LYS A 49 -12.219 1.240 -10.313 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -10.262 -0.812 -9.247 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -10.204 0.929 -9.061 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -12.298 -0.873 -7.794 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -10.846 -0.314 -6.988 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -12.906 1.624 -8.095 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -13.051 0.929 -6.492 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -10.534 1.781 -6.224 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -10.964 2.850 -7.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -11.382 3.903 -5.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -12.859 3.635 -6.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -12.391 2.630 -4.945 1.00 0.00 H new ATOM 817 N LYS A 50 -11.723 -0.016 -12.775 1.00 0.00 N ATOM 818 CA LYS A 50 -11.188 -0.406 -14.075 1.00 0.00 C ATOM 819 C LYS A 50 -9.970 0.439 -14.433 1.00 0.00 C ATOM 820 O LYS A 50 -10.085 1.653 -14.570 1.00 0.00 O ATOM 821 CB LYS A 50 -12.307 -0.309 -15.124 1.00 0.00 C ATOM 822 CG LYS A 50 -11.834 -0.770 -16.513 1.00 0.00 C ATOM 823 CD LYS A 50 -12.982 -0.914 -17.524 1.00 0.00 C ATOM 824 CE LYS A 50 -13.917 -2.080 -17.163 1.00 0.00 C ATOM 825 NZ LYS A 50 -14.976 -2.298 -18.181 1.00 0.00 N ATOM 0 H LYS A 50 -12.720 0.196 -12.804 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.842 -1.439 -14.044 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -13.154 -0.918 -14.808 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -12.660 0.721 -15.184 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -11.106 -0.056 -16.898 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -11.321 -1.727 -16.416 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -13.554 0.013 -17.559 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -12.571 -1.073 -18.521 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -13.330 -2.992 -17.054 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -14.382 -1.883 -16.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -15.578 -3.094 -17.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -15.556 -1.439 -18.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -14.536 -2.514 -19.099 1.00 0.00 H new ATOM 976 N GLU A 59 -10.714 4.187 -13.588 1.00 0.00 N ATOM 977 CA GLU A 59 -12.094 4.584 -13.792 1.00 0.00 C ATOM 978 C GLU A 59 -12.912 3.766 -12.793 1.00 0.00 C ATOM 979 O GLU A 59 -12.503 2.676 -12.385 1.00 0.00 O ATOM 980 CB GLU A 59 -12.537 4.282 -15.234 1.00 0.00 C ATOM 981 CG GLU A 59 -11.948 5.245 -16.274 1.00 0.00 C ATOM 982 CD GLU A 59 -12.408 6.704 -16.076 1.00 0.00 C ATOM 983 OE1 GLU A 59 -13.630 6.959 -15.978 1.00 0.00 O ATOM 984 OE2 GLU A 59 -11.555 7.619 -16.055 1.00 0.00 O ATOM 0 HA GLU A 59 -12.231 5.655 -13.640 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.245 3.263 -15.489 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -13.625 4.325 -15.287 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.860 5.203 -16.224 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -12.234 4.912 -17.272 1.00 0.00 H new ATOM 991 N GLU A 60 -14.068 4.286 -12.389 1.00 0.00 N ATOM 992 CA GLU A 60 -14.849 3.738 -11.293 1.00 0.00 C ATOM 993 C GLU A 60 -16.280 3.530 -11.780 1.00 0.00 C ATOM 994 O GLU A 60 -16.992 4.499 -12.061 1.00 0.00 O ATOM 995 CB GLU A 60 -14.779 4.699 -10.094 1.00 0.00 C ATOM 996 CG GLU A 60 -13.376 4.752 -9.479 1.00 0.00 C ATOM 997 CD GLU A 60 -13.417 5.406 -8.093 1.00 0.00 C ATOM 998 OE1 GLU A 60 -13.892 4.735 -7.146 1.00 0.00 O ATOM 999 OE2 GLU A 60 -12.971 6.566 -7.939 1.00 0.00 O ATOM 0 H GLU A 60 -14.490 5.108 -12.820 1.00 0.00 H new ATOM 0 HA GLU A 60 -14.455 2.776 -10.966 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -15.072 5.699 -10.414 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -15.495 4.384 -9.335 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -12.970 3.744 -9.399 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -12.708 5.314 -10.132 1.00 0.00 H new ATOM 1006 N LYS A 61 -16.700 2.266 -11.884 1.00 0.00 N ATOM 1007 CA LYS A 61 -18.045 1.888 -12.320 1.00 0.00 C ATOM 1008 C LYS A 61 -18.712 1.144 -11.173 1.00 0.00 C ATOM 1009 O LYS A 61 -18.174 0.144 -10.701 1.00 0.00 O ATOM 1010 CB LYS A 61 -17.933 1.031 -13.594 1.00 0.00 C ATOM 1011 CG LYS A 61 -19.284 0.491 -14.083 1.00 0.00 C ATOM 1012 CD LYS A 61 -19.146 -0.288 -15.404 1.00 0.00 C ATOM 1013 CE LYS A 61 -19.116 0.610 -16.652 1.00 0.00 C ATOM 1014 NZ LYS A 61 -20.386 1.354 -16.856 1.00 0.00 N ATOM 0 H LYS A 61 -16.106 1.466 -11.664 1.00 0.00 H new ATOM 0 HA LYS A 61 -18.655 2.757 -12.567 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -17.480 1.627 -14.386 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -17.263 0.193 -13.402 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -19.712 -0.160 -13.321 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -19.978 1.320 -14.221 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -18.232 -0.881 -15.372 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -19.977 -0.988 -15.491 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -18.294 1.320 -16.563 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -18.914 -0.003 -17.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -20.211 2.180 -17.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -21.084 0.732 -17.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -20.754 1.671 -15.937 1.00 0.00 H new ATOM 1028 N THR A 62 -19.844 1.636 -10.688 1.00 0.00 N ATOM 1029 CA THR A 62 -20.608 0.975 -9.640 1.00 0.00 C ATOM 1030 C THR A 62 -21.232 -0.297 -10.227 1.00 0.00 C ATOM 1031 O THR A 62 -21.834 -0.251 -11.303 1.00 0.00 O ATOM 1032 CB THR A 62 -21.665 1.956 -9.100 1.00 0.00 C ATOM 1033 OG1 THR A 62 -21.121 3.265 -9.021 1.00 0.00 O ATOM 1034 CG2 THR A 62 -22.128 1.550 -7.700 1.00 0.00 C ATOM 0 H THR A 62 -20.260 2.509 -11.012 1.00 0.00 H new ATOM 0 HA THR A 62 -19.975 0.683 -8.802 1.00 0.00 H new ATOM 0 HB THR A 62 -22.512 1.934 -9.785 1.00 0.00 H new ATOM 0 HG1 THR A 62 -21.801 3.882 -8.678 1.00 0.00 H new ATOM 0 HG21 THR A 62 -22.874 2.260 -7.343 1.00 0.00 H new ATOM 0 HG22 THR A 62 -22.565 0.552 -7.736 1.00 0.00 H new ATOM 0 HG23 THR A 62 -21.275 1.548 -7.021 1.00 0.00 H new ATOM 1042 N VAL A 63 -21.095 -1.427 -9.533 1.00 0.00 N ATOM 1043 CA VAL A 63 -21.529 -2.724 -10.036 1.00 0.00 C ATOM 1044 C VAL A 63 -22.178 -3.545 -8.921 1.00 0.00 C ATOM 1045 O VAL A 63 -21.781 -3.457 -7.758 1.00 0.00 O ATOM 1046 CB VAL A 63 -20.346 -3.478 -10.690 1.00 0.00 C ATOM 1047 CG1 VAL A 63 -19.866 -2.804 -11.984 1.00 0.00 C ATOM 1048 CG2 VAL A 63 -19.128 -3.660 -9.766 1.00 0.00 C ATOM 0 H VAL A 63 -20.678 -1.465 -8.603 1.00 0.00 H new ATOM 0 HA VAL A 63 -22.283 -2.566 -10.807 1.00 0.00 H new ATOM 0 HB VAL A 63 -20.759 -4.462 -10.910 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -19.035 -3.372 -12.403 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -20.684 -2.773 -12.703 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -19.537 -1.788 -11.765 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -18.344 -4.197 -10.299 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -18.755 -2.683 -9.459 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -19.422 -4.229 -8.884 1.00 0.00 H new ATOM 1058 N GLU A 64 -23.171 -4.359 -9.279 1.00 0.00 N ATOM 1059 CA GLU A 64 -23.742 -5.360 -8.390 1.00 0.00 C ATOM 1060 C GLU A 64 -23.027 -6.657 -8.756 1.00 0.00 C ATOM 1061 O GLU A 64 -23.075 -7.082 -9.911 1.00 0.00 O ATOM 1062 CB GLU A 64 -25.264 -5.447 -8.579 1.00 0.00 C ATOM 1063 CG GLU A 64 -25.917 -6.373 -7.545 1.00 0.00 C ATOM 1064 CD GLU A 64 -27.453 -6.340 -7.645 1.00 0.00 C ATOM 1065 OE1 GLU A 64 -28.037 -7.078 -8.469 1.00 0.00 O ATOM 1066 OE2 GLU A 64 -28.097 -5.585 -6.880 1.00 0.00 O ATOM 0 H GLU A 64 -23.603 -4.339 -10.203 1.00 0.00 H new ATOM 0 HA GLU A 64 -23.601 -5.123 -7.335 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -25.697 -4.450 -8.498 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -25.485 -5.810 -9.583 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -25.564 -7.393 -7.695 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -25.610 -6.074 -6.543 1.00 0.00 H new ATOM 1073 N VAL A 65 -22.298 -7.236 -7.809 1.00 0.00 N ATOM 1074 CA VAL A 65 -21.517 -8.441 -8.008 1.00 0.00 C ATOM 1075 C VAL A 65 -22.472 -9.602 -7.738 1.00 0.00 C ATOM 1076 O VAL A 65 -22.904 -9.824 -6.604 1.00 0.00 O ATOM 1077 CB VAL A 65 -20.269 -8.435 -7.101 1.00 0.00 C ATOM 1078 CG1 VAL A 65 -19.342 -9.578 -7.526 1.00 0.00 C ATOM 1079 CG2 VAL A 65 -19.477 -7.115 -7.195 1.00 0.00 C ATOM 0 H VAL A 65 -22.235 -6.868 -6.860 1.00 0.00 H new ATOM 0 HA VAL A 65 -21.119 -8.525 -9.019 1.00 0.00 H new ATOM 0 HB VAL A 65 -20.613 -8.552 -6.073 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -18.456 -9.583 -6.891 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -19.866 -10.528 -7.425 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -19.043 -9.437 -8.565 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -18.609 -7.164 -6.537 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -19.146 -6.962 -8.222 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -20.116 -6.285 -6.892 1.00 0.00 H new ATOM 1089 N LEU A 66 -22.866 -10.296 -8.804 1.00 0.00 N ATOM 1090 CA LEU A 66 -23.934 -11.288 -8.762 1.00 0.00 C ATOM 1091 C LEU A 66 -23.473 -12.583 -8.090 1.00 0.00 C ATOM 1092 O LEU A 66 -24.291 -13.279 -7.491 1.00 0.00 O ATOM 1093 CB LEU A 66 -24.439 -11.588 -10.185 1.00 0.00 C ATOM 1094 CG LEU A 66 -24.901 -10.361 -10.999 1.00 0.00 C ATOM 1095 CD1 LEU A 66 -25.455 -10.825 -12.349 1.00 0.00 C ATOM 1096 CD2 LEU A 66 -25.966 -9.532 -10.274 1.00 0.00 C ATOM 0 H LEU A 66 -22.448 -10.183 -9.728 1.00 0.00 H new ATOM 0 HA LEU A 66 -24.748 -10.872 -8.169 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -23.643 -12.089 -10.736 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -25.270 -12.290 -10.116 1.00 0.00 H new ATOM 0 HG LEU A 66 -24.030 -9.720 -11.136 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -25.782 -9.959 -12.925 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -24.677 -11.354 -12.899 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -26.301 -11.492 -12.185 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -26.251 -8.683 -10.895 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -26.842 -10.152 -10.082 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -25.564 -9.170 -9.328 1.00 0.00 H new ATOM 1108 N GLY A 67 -22.184 -12.910 -8.189 1.00 0.00 N ATOM 1109 CA GLY A 67 -21.585 -14.136 -7.701 1.00 0.00 C ATOM 1110 C GLY A 67 -20.282 -14.347 -8.462 1.00 0.00 C ATOM 1111 O GLY A 67 -19.931 -13.556 -9.344 1.00 0.00 O ATOM 0 H GLY A 67 -21.504 -12.293 -8.634 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -21.396 -14.070 -6.630 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -22.259 -14.979 -7.854 1.00 0.00 H new ATOM 1115 N MET A 68 -19.554 -15.411 -8.135 1.00 0.00 N ATOM 1116 CA MET A 68 -18.405 -15.817 -8.938 1.00 0.00 C ATOM 1117 C MET A 68 -18.857 -16.218 -10.343 1.00 0.00 C ATOM 1118 O MET A 68 -19.981 -16.689 -10.544 1.00 0.00 O ATOM 1119 CB MET A 68 -17.614 -16.956 -8.288 1.00 0.00 C ATOM 1120 CG MET A 68 -16.935 -16.511 -6.988 1.00 0.00 C ATOM 1121 SD MET A 68 -15.335 -17.299 -6.661 1.00 0.00 S ATOM 1122 CE MET A 68 -14.320 -16.458 -7.909 1.00 0.00 C ATOM 0 H MET A 68 -19.737 -16.004 -7.326 1.00 0.00 H new ATOM 0 HA MET A 68 -17.737 -14.958 -9.004 1.00 0.00 H new ATOM 0 HB2 MET A 68 -18.284 -17.791 -8.081 1.00 0.00 H new ATOM 0 HB3 MET A 68 -16.859 -17.319 -8.986 1.00 0.00 H new ATOM 0 HG2 MET A 68 -16.793 -15.431 -7.020 1.00 0.00 H new ATOM 0 HG3 MET A 68 -17.605 -16.720 -6.154 1.00 0.00 H new ATOM 0 HE1 MET A 68 -13.430 -17.052 -8.115 1.00 0.00 H new ATOM 0 HE2 MET A 68 -14.896 -16.338 -8.826 1.00 0.00 H new ATOM 0 HE3 MET A 68 -14.023 -15.478 -7.536 1.00 0.00 H new ATOM 1132 N ALA A 69 -17.957 -16.037 -11.310 1.00 0.00 N ATOM 1133 CA ALA A 69 -18.117 -16.554 -12.660 1.00 0.00 C ATOM 1134 C ALA A 69 -18.089 -18.095 -12.625 1.00 0.00 C ATOM 1135 O ALA A 69 -17.716 -18.670 -11.596 1.00 0.00 O ATOM 1136 CB ALA A 69 -16.989 -15.976 -13.522 1.00 0.00 C ATOM 0 H ALA A 69 -17.088 -15.521 -11.171 1.00 0.00 H new ATOM 0 HA ALA A 69 -19.074 -16.258 -13.090 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -17.084 -16.348 -14.542 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -17.054 -14.888 -13.525 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -16.026 -16.281 -13.113 1.00 0.00 H new ATOM 1142 N PRO A 70 -18.457 -18.785 -13.722 1.00 0.00 N ATOM 1143 CA PRO A 70 -18.286 -20.227 -13.835 1.00 0.00 C ATOM 1144 C PRO A 70 -16.867 -20.675 -13.473 1.00 0.00 C ATOM 1145 O PRO A 70 -15.893 -19.948 -13.693 1.00 0.00 O ATOM 1146 CB PRO A 70 -18.627 -20.570 -15.290 1.00 0.00 C ATOM 1147 CG PRO A 70 -19.608 -19.469 -15.684 1.00 0.00 C ATOM 1148 CD PRO A 70 -19.072 -18.254 -14.930 1.00 0.00 C ATOM 0 HA PRO A 70 -18.935 -20.751 -13.133 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -17.740 -20.566 -15.924 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -19.076 -21.560 -15.376 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -19.620 -19.304 -16.761 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -20.629 -19.711 -15.388 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -18.346 -17.708 -15.532 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -19.874 -17.557 -14.688 1.00 0.00 H new ATOM 1156 N ASP A 71 -16.737 -21.914 -12.999 1.00 0.00 N ATOM 1157 CA ASP A 71 -15.437 -22.532 -12.742 1.00 0.00 C ATOM 1158 C ASP A 71 -14.584 -22.579 -14.015 1.00 0.00 C ATOM 1159 O ASP A 71 -13.363 -22.484 -13.934 1.00 0.00 O ATOM 1160 CB ASP A 71 -15.597 -23.936 -12.141 1.00 0.00 C ATOM 1161 CG ASP A 71 -15.933 -25.006 -13.195 1.00 0.00 C ATOM 1162 OD1 ASP A 71 -17.086 -25.028 -13.683 1.00 0.00 O ATOM 1163 OD2 ASP A 71 -15.068 -25.850 -13.516 1.00 0.00 O ATOM 0 H ASP A 71 -17.530 -22.517 -12.782 1.00 0.00 H new ATOM 0 HA ASP A 71 -14.918 -21.911 -12.012 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -14.675 -24.214 -11.630 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -16.385 -23.915 -11.388 1.00 0.00 H new ATOM 1168 N ASP A 72 -15.218 -22.647 -15.192 1.00 0.00 N ATOM 1169 CA ASP A 72 -14.538 -22.616 -16.486 1.00 0.00 C ATOM 1170 C ASP A 72 -13.827 -21.280 -16.738 1.00 0.00 C ATOM 1171 O ASP A 72 -12.803 -21.250 -17.421 1.00 0.00 O ATOM 1172 CB ASP A 72 -15.546 -22.890 -17.608 1.00 0.00 C ATOM 1173 CG ASP A 72 -14.855 -22.926 -18.982 1.00 0.00 C ATOM 1174 OD1 ASP A 72 -14.089 -23.879 -19.252 1.00 0.00 O ATOM 1175 OD2 ASP A 72 -15.113 -22.035 -19.821 1.00 0.00 O ATOM 0 H ASP A 72 -16.232 -22.726 -15.270 1.00 0.00 H new ATOM 0 HA ASP A 72 -13.774 -23.393 -16.473 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -16.047 -23.840 -17.425 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -16.315 -22.118 -17.605 1.00 0.00 H new ATOM 1180 N GLU A 73 -14.330 -20.178 -16.169 1.00 0.00 N ATOM 1181 CA GLU A 73 -13.641 -18.890 -16.188 1.00 0.00 C ATOM 1182 C GLU A 73 -12.592 -18.867 -15.073 1.00 0.00 C ATOM 1183 O GLU A 73 -11.455 -18.451 -15.297 1.00 0.00 O ATOM 1184 CB GLU A 73 -14.634 -17.731 -15.983 1.00 0.00 C ATOM 1185 CG GLU A 73 -15.710 -17.614 -17.076 1.00 0.00 C ATOM 1186 CD GLU A 73 -15.136 -17.423 -18.494 1.00 0.00 C ATOM 1187 OE1 GLU A 73 -14.214 -16.600 -18.689 1.00 0.00 O ATOM 1188 OE2 GLU A 73 -15.635 -18.068 -19.443 1.00 0.00 O ATOM 0 H GLU A 73 -15.227 -20.158 -15.683 1.00 0.00 H new ATOM 0 HA GLU A 73 -13.162 -18.763 -17.159 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -15.126 -17.857 -15.018 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -14.077 -16.795 -15.937 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -16.328 -18.512 -17.062 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -16.363 -16.773 -16.842 1.00 0.00 H new ATOM 1195 N CYS A 74 -12.945 -19.361 -13.881 1.00 0.00 N ATOM 1196 CA CYS A 74 -12.109 -19.299 -12.684 1.00 0.00 C ATOM 1197 C CYS A 74 -10.957 -20.325 -12.680 1.00 0.00 C ATOM 1198 O CYS A 74 -10.428 -20.660 -11.621 1.00 0.00 O ATOM 1199 CB CYS A 74 -12.985 -19.409 -11.431 1.00 0.00 C ATOM 1200 SG CYS A 74 -14.267 -18.119 -11.452 1.00 0.00 S ATOM 0 H CYS A 74 -13.840 -19.824 -13.722 1.00 0.00 H new ATOM 0 HA CYS A 74 -11.614 -18.328 -12.685 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -13.450 -20.394 -11.388 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -12.370 -19.307 -10.537 1.00 0.00 H new ATOM 0 HG CYS A 74 -15.205 -18.453 -12.287 1.00 0.00 H new ATOM 1206 N LEU A 75 -10.576 -20.845 -13.848 1.00 0.00 N ATOM 1207 CA LEU A 75 -9.580 -21.894 -14.055 1.00 0.00 C ATOM 1208 C LEU A 75 -8.146 -21.397 -13.806 1.00 0.00 C ATOM 1209 O LEU A 75 -7.231 -22.210 -13.684 1.00 0.00 O ATOM 1210 CB LEU A 75 -9.731 -22.434 -15.499 1.00 0.00 C ATOM 1211 CG LEU A 75 -9.740 -23.967 -15.669 1.00 0.00 C ATOM 1212 CD1 LEU A 75 -8.481 -24.649 -15.138 1.00 0.00 C ATOM 1213 CD2 LEU A 75 -10.972 -24.621 -15.033 1.00 0.00 C ATOM 0 H LEU A 75 -10.980 -20.524 -14.728 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.756 -22.690 -13.332 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -10.659 -22.040 -15.914 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.916 -22.030 -16.100 1.00 0.00 H new ATOM 0 HG LEU A 75 -9.773 -24.116 -16.748 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.558 -25.725 -15.291 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -7.609 -24.268 -15.670 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.376 -24.441 -14.073 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -10.929 -25.700 -15.181 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -10.990 -24.402 -13.965 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -11.875 -24.227 -15.499 1.00 0.00 H new ATOM 1225 N LYS A 76 -7.927 -20.075 -13.756 1.00 0.00 N ATOM 1226 CA LYS A 76 -6.587 -19.484 -13.641 1.00 0.00 C ATOM 1227 C LYS A 76 -6.542 -18.157 -12.881 1.00 0.00 C ATOM 1228 O LYS A 76 -5.470 -17.756 -12.435 1.00 0.00 O ATOM 1229 CB LYS A 76 -5.986 -19.307 -15.047 1.00 0.00 C ATOM 1230 CG LYS A 76 -6.786 -18.365 -15.970 1.00 0.00 C ATOM 1231 CD LYS A 76 -6.126 -18.168 -17.344 1.00 0.00 C ATOM 1232 CE LYS A 76 -6.101 -19.463 -18.172 1.00 0.00 C ATOM 1233 NZ LYS A 76 -5.515 -19.255 -19.520 1.00 0.00 N ATOM 0 H LYS A 76 -8.677 -19.384 -13.794 1.00 0.00 H new ATOM 0 HA LYS A 76 -5.996 -20.181 -13.047 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -4.971 -18.923 -14.949 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.912 -20.285 -15.523 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -7.789 -18.768 -16.109 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -6.896 -17.396 -15.484 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -6.664 -17.397 -17.896 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -5.106 -17.808 -17.206 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -5.526 -20.221 -17.641 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -7.116 -19.847 -18.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -5.518 -20.154 -20.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -6.078 -18.551 -20.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -4.537 -18.914 -19.425 1.00 0.00 H new ATOM 1247 N ASP A 77 -7.671 -17.470 -12.745 1.00 0.00 N ATOM 1248 CA ASP A 77 -7.785 -16.144 -12.139 1.00 0.00 C ATOM 1249 C ASP A 77 -9.211 -16.024 -11.604 1.00 0.00 C ATOM 1250 O ASP A 77 -10.098 -16.716 -12.106 1.00 0.00 O ATOM 1251 CB ASP A 77 -7.503 -15.071 -13.201 1.00 0.00 C ATOM 1252 CG ASP A 77 -7.686 -13.639 -12.673 1.00 0.00 C ATOM 1253 OD1 ASP A 77 -7.376 -13.388 -11.489 1.00 0.00 O ATOM 1254 OD2 ASP A 77 -8.086 -12.757 -13.464 1.00 0.00 O ATOM 0 H ASP A 77 -8.568 -17.834 -13.066 1.00 0.00 H new ATOM 0 HA ASP A 77 -7.067 -16.005 -11.331 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.483 -15.190 -13.567 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -8.167 -15.226 -14.051 1.00 0.00 H new ATOM 1259 N MET A 78 -9.446 -15.223 -10.566 1.00 0.00 N ATOM 1260 CA MET A 78 -10.749 -15.159 -9.909 1.00 0.00 C ATOM 1261 C MET A 78 -11.620 -14.123 -10.622 1.00 0.00 C ATOM 1262 O MET A 78 -11.246 -12.951 -10.725 1.00 0.00 O ATOM 1263 CB MET A 78 -10.587 -14.827 -8.417 1.00 0.00 C ATOM 1264 CG MET A 78 -9.843 -15.914 -7.622 1.00 0.00 C ATOM 1265 SD MET A 78 -10.636 -17.551 -7.542 1.00 0.00 S ATOM 1266 CE MET A 78 -9.722 -18.469 -8.813 1.00 0.00 C ATOM 0 H MET A 78 -8.744 -14.605 -10.160 1.00 0.00 H new ATOM 0 HA MET A 78 -11.239 -16.131 -9.972 1.00 0.00 H new ATOM 0 HB2 MET A 78 -10.048 -13.884 -8.319 1.00 0.00 H new ATOM 0 HB3 MET A 78 -11.573 -14.678 -7.977 1.00 0.00 H new ATOM 0 HG2 MET A 78 -8.852 -16.037 -8.058 1.00 0.00 H new ATOM 0 HG3 MET A 78 -9.701 -15.554 -6.603 1.00 0.00 H new ATOM 0 HE1 MET A 78 -9.950 -19.532 -8.729 1.00 0.00 H new ATOM 0 HE2 MET A 78 -10.015 -18.113 -9.801 1.00 0.00 H new ATOM 0 HE3 MET A 78 -8.652 -18.315 -8.674 1.00 0.00 H new ATOM 1276 N TYR A 79 -12.803 -14.541 -11.078 1.00 0.00 N ATOM 1277 CA TYR A 79 -13.722 -13.718 -11.857 1.00 0.00 C ATOM 1278 C TYR A 79 -15.104 -13.731 -11.208 1.00 0.00 C ATOM 1279 O TYR A 79 -15.478 -14.703 -10.545 1.00 0.00 O ATOM 1280 CB TYR A 79 -13.836 -14.276 -13.282 1.00 0.00 C ATOM 1281 CG TYR A 79 -12.638 -14.068 -14.185 1.00 0.00 C ATOM 1282 CD1 TYR A 79 -12.470 -12.842 -14.856 1.00 0.00 C ATOM 1283 CD2 TYR A 79 -11.744 -15.127 -14.425 1.00 0.00 C ATOM 1284 CE1 TYR A 79 -11.418 -12.676 -15.773 1.00 0.00 C ATOM 1285 CE2 TYR A 79 -10.688 -14.969 -15.338 1.00 0.00 C ATOM 1286 CZ TYR A 79 -10.518 -13.741 -16.018 1.00 0.00 C ATOM 1287 OH TYR A 79 -9.502 -13.607 -16.918 1.00 0.00 O ATOM 0 H TYR A 79 -13.154 -15.484 -10.910 1.00 0.00 H new ATOM 0 HA TYR A 79 -13.341 -12.697 -11.890 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -14.032 -15.346 -13.215 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -14.705 -13.822 -13.758 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -13.152 -12.026 -14.666 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -11.870 -16.065 -13.905 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -11.296 -11.736 -16.291 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -10.006 -15.786 -15.521 1.00 0.00 H new ATOM 0 HH TYR A 79 -8.985 -14.439 -16.954 1.00 0.00 H new ATOM 1297 N VAL A 80 -15.887 -12.682 -11.447 1.00 0.00 N ATOM 1298 CA VAL A 80 -17.222 -12.518 -10.887 1.00 0.00 C ATOM 1299 C VAL A 80 -18.163 -12.019 -11.982 1.00 0.00 C ATOM 1300 O VAL A 80 -17.751 -11.249 -12.850 1.00 0.00 O ATOM 1301 CB VAL A 80 -17.190 -11.571 -9.665 1.00 0.00 C ATOM 1302 CG1 VAL A 80 -16.502 -12.213 -8.450 1.00 0.00 C ATOM 1303 CG2 VAL A 80 -16.513 -10.215 -9.938 1.00 0.00 C ATOM 0 H VAL A 80 -15.604 -11.908 -12.048 1.00 0.00 H new ATOM 0 HA VAL A 80 -17.594 -13.477 -10.526 1.00 0.00 H new ATOM 0 HB VAL A 80 -18.243 -11.389 -9.450 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -16.504 -11.510 -7.617 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -17.039 -13.117 -8.163 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -15.474 -12.468 -8.707 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -16.532 -9.610 -9.032 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -15.480 -10.379 -10.243 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -17.048 -9.695 -10.733 1.00 0.00 H new ATOM 1313 N GLU A 81 -19.420 -12.460 -11.956 1.00 0.00 N ATOM 1314 CA GLU A 81 -20.458 -11.894 -12.807 1.00 0.00 C ATOM 1315 C GLU A 81 -20.884 -10.579 -12.161 1.00 0.00 C ATOM 1316 O GLU A 81 -20.970 -10.481 -10.932 1.00 0.00 O ATOM 1317 CB GLU A 81 -21.651 -12.851 -12.936 1.00 0.00 C ATOM 1318 CG GLU A 81 -21.304 -14.083 -13.780 1.00 0.00 C ATOM 1319 CD GLU A 81 -22.540 -14.966 -14.028 1.00 0.00 C ATOM 1320 OE1 GLU A 81 -22.900 -15.785 -13.153 1.00 0.00 O ATOM 1321 OE2 GLU A 81 -23.156 -14.864 -15.114 1.00 0.00 O ATOM 0 H GLU A 81 -19.743 -13.213 -11.349 1.00 0.00 H new ATOM 0 HA GLU A 81 -20.082 -11.730 -13.817 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -21.971 -13.169 -11.944 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -22.492 -12.325 -13.389 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -20.886 -13.765 -14.735 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -20.535 -14.667 -13.274 1.00 0.00 H new ATOM 1328 N VAL A 82 -21.157 -9.566 -12.976 1.00 0.00 N ATOM 1329 CA VAL A 82 -21.357 -8.209 -12.505 1.00 0.00 C ATOM 1330 C VAL A 82 -22.420 -7.553 -13.372 1.00 0.00 C ATOM 1331 O VAL A 82 -22.398 -7.692 -14.592 1.00 0.00 O ATOM 1332 CB VAL A 82 -19.983 -7.491 -12.533 1.00 0.00 C ATOM 1333 CG1 VAL A 82 -19.903 -6.220 -13.392 1.00 0.00 C ATOM 1334 CG2 VAL A 82 -19.513 -7.223 -11.100 1.00 0.00 C ATOM 0 H VAL A 82 -21.245 -9.668 -13.987 1.00 0.00 H new ATOM 0 HA VAL A 82 -21.722 -8.163 -11.479 1.00 0.00 H new ATOM 0 HB VAL A 82 -19.308 -8.182 -13.038 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -18.897 -5.805 -13.335 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -20.136 -6.466 -14.428 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -20.619 -5.486 -13.023 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -18.547 -6.718 -11.122 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -20.241 -6.591 -10.591 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -19.416 -8.168 -10.566 1.00 0.00 H new ATOM 1344 N ALA A 83 -23.322 -6.806 -12.751 1.00 0.00 N ATOM 1345 CA ALA A 83 -24.338 -6.024 -13.442 1.00 0.00 C ATOM 1346 C ALA A 83 -24.012 -4.548 -13.257 1.00 0.00 C ATOM 1347 O ALA A 83 -23.648 -4.116 -12.160 1.00 0.00 O ATOM 1348 CB ALA A 83 -25.734 -6.386 -12.933 1.00 0.00 C ATOM 0 H ALA A 83 -23.369 -6.725 -11.735 1.00 0.00 H new ATOM 0 HA ALA A 83 -24.337 -6.249 -14.509 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -26.479 -5.791 -13.461 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -25.923 -7.445 -13.110 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -25.796 -6.180 -11.864 1.00 0.00 H new ATOM 1354 N ASP A 84 -24.119 -3.782 -14.340 1.00 0.00 N ATOM 1355 CA ASP A 84 -23.652 -2.400 -14.424 1.00 0.00 C ATOM 1356 C ASP A 84 -24.684 -1.428 -13.860 1.00 0.00 C ATOM 1357 O ASP A 84 -25.268 -0.621 -14.582 1.00 0.00 O ATOM 1358 CB ASP A 84 -23.287 -2.067 -15.874 1.00 0.00 C ATOM 1359 CG ASP A 84 -22.767 -0.636 -16.036 1.00 0.00 C ATOM 1360 OD1 ASP A 84 -22.308 -0.017 -15.054 1.00 0.00 O ATOM 1361 OD2 ASP A 84 -22.767 -0.132 -17.181 1.00 0.00 O ATOM 0 H ASP A 84 -24.544 -4.114 -15.206 1.00 0.00 H new ATOM 0 HA ASP A 84 -22.757 -2.292 -13.811 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -22.528 -2.767 -16.224 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -24.164 -2.205 -16.506 1.00 0.00 H new ATOM 1366 N ILE A 85 -24.954 -1.525 -12.561 1.00 0.00 N ATOM 1367 CA ILE A 85 -25.868 -0.617 -11.863 1.00 0.00 C ATOM 1368 C ILE A 85 -25.437 0.860 -11.975 1.00 0.00 C ATOM 1369 O ILE A 85 -26.264 1.753 -11.786 1.00 0.00 O ATOM 1370 CB ILE A 85 -26.082 -1.064 -10.400 1.00 0.00 C ATOM 1371 CG1 ILE A 85 -24.795 -0.992 -9.551 1.00 0.00 C ATOM 1372 CG2 ILE A 85 -26.706 -2.473 -10.379 1.00 0.00 C ATOM 1373 CD1 ILE A 85 -25.012 -1.253 -8.055 1.00 0.00 C ATOM 0 H ILE A 85 -24.544 -2.238 -11.958 1.00 0.00 H new ATOM 0 HA ILE A 85 -26.833 -0.678 -12.366 1.00 0.00 H new ATOM 0 HB ILE A 85 -26.772 -0.361 -9.934 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -24.079 -1.719 -9.935 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -24.346 -0.006 -9.675 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -26.857 -2.789 -9.347 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -27.665 -2.454 -10.897 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -26.038 -3.174 -10.879 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -24.058 -1.184 -7.531 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -25.702 -0.511 -7.653 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -25.430 -2.250 -7.917 1.00 0.00 H new ATOM 1385 N GLY A 86 -24.170 1.127 -12.309 1.00 0.00 N ATOM 1386 CA GLY A 86 -23.633 2.459 -12.541 1.00 0.00 C ATOM 1387 C GLY A 86 -23.852 2.955 -13.975 1.00 0.00 C ATOM 1388 O GLY A 86 -23.483 4.094 -14.271 1.00 0.00 O ATOM 0 H GLY A 86 -23.472 0.393 -12.428 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -24.099 3.158 -11.846 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -22.565 2.457 -12.323 1.00 0.00 H new ATOM 1392 N GLY A 87 -24.438 2.145 -14.865 1.00 0.00 N ATOM 1393 CA GLY A 87 -24.596 2.470 -16.275 1.00 0.00 C ATOM 1394 C GLY A 87 -25.802 1.756 -16.872 1.00 0.00 C ATOM 1395 O GLY A 87 -26.920 2.265 -16.768 1.00 0.00 O ATOM 0 H GLY A 87 -24.819 1.233 -14.615 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -24.713 3.547 -16.392 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -23.695 2.186 -16.820 1.00 0.00 H new ATOM 1399 N LYS A 88 -25.587 0.604 -17.523 1.00 0.00 N ATOM 1400 CA LYS A 88 -26.644 -0.092 -18.271 1.00 0.00 C ATOM 1401 C LYS A 88 -27.824 -0.489 -17.384 1.00 0.00 C ATOM 1402 O LYS A 88 -28.956 -0.482 -17.864 1.00 0.00 O ATOM 1403 CB LYS A 88 -26.097 -1.349 -18.972 1.00 0.00 C ATOM 1404 CG LYS A 88 -24.953 -1.139 -19.980 1.00 0.00 C ATOM 1405 CD LYS A 88 -25.281 -0.225 -21.174 1.00 0.00 C ATOM 1406 CE LYS A 88 -25.011 1.260 -20.880 1.00 0.00 C ATOM 1407 NZ LYS A 88 -25.283 2.122 -22.058 1.00 0.00 N ATOM 0 H LYS A 88 -24.683 0.131 -17.546 1.00 0.00 H new ATOM 0 HA LYS A 88 -27.000 0.618 -19.018 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -25.751 -2.042 -18.205 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -26.923 -1.835 -19.492 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -24.097 -0.722 -19.450 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -24.647 -2.112 -20.363 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -24.689 -0.534 -22.035 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -26.329 -0.352 -21.446 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -25.632 1.582 -20.045 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -23.973 1.385 -20.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -25.088 3.114 -21.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -24.672 1.833 -22.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -26.280 2.024 -22.337 1.00 0.00 H new ATOM 1421 N ASP A 89 -27.560 -0.848 -16.125 1.00 0.00 N ATOM 1422 CA ASP A 89 -28.467 -1.312 -15.064 1.00 0.00 C ATOM 1423 C ASP A 89 -29.244 -2.603 -15.361 1.00 0.00 C ATOM 1424 O ASP A 89 -29.589 -3.341 -14.439 1.00 0.00 O ATOM 1425 CB ASP A 89 -29.405 -0.179 -14.628 1.00 0.00 C ATOM 1426 CG ASP A 89 -30.303 -0.598 -13.452 1.00 0.00 C ATOM 1427 OD1 ASP A 89 -29.800 -0.699 -12.311 1.00 0.00 O ATOM 1428 OD2 ASP A 89 -31.526 -0.774 -13.653 1.00 0.00 O ATOM 0 H ASP A 89 -26.599 -0.818 -15.784 1.00 0.00 H new ATOM 0 HA ASP A 89 -27.812 -1.591 -14.239 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -28.814 0.691 -14.342 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -30.027 0.122 -15.471 1.00 0.00 H new ATOM 1433 N ASP A 90 -29.457 -2.924 -16.635 1.00 0.00 N ATOM 1434 CA ASP A 90 -30.289 -4.026 -17.121 1.00 0.00 C ATOM 1435 C ASP A 90 -29.455 -5.033 -17.927 1.00 0.00 C ATOM 1436 O ASP A 90 -29.996 -5.919 -18.590 1.00 0.00 O ATOM 1437 CB ASP A 90 -31.411 -3.423 -17.973 1.00 0.00 C ATOM 1438 CG ASP A 90 -32.471 -4.454 -18.401 1.00 0.00 C ATOM 1439 OD1 ASP A 90 -33.053 -5.137 -17.526 1.00 0.00 O ATOM 1440 OD2 ASP A 90 -32.785 -4.540 -19.610 1.00 0.00 O ATOM 0 H ASP A 90 -29.032 -2.396 -17.397 1.00 0.00 H new ATOM 0 HA ASP A 90 -30.714 -4.576 -16.282 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -31.896 -2.625 -17.411 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -30.977 -2.967 -18.863 1.00 0.00 H new ATOM 1445 N ASP A 91 -28.126 -4.905 -17.874 1.00 0.00 N ATOM 1446 CA ASP A 91 -27.186 -5.806 -18.545 1.00 0.00 C ATOM 1447 C ASP A 91 -26.057 -6.207 -17.598 1.00 0.00 C ATOM 1448 O ASP A 91 -25.810 -5.559 -16.575 1.00 0.00 O ATOM 1449 CB ASP A 91 -26.631 -5.183 -19.835 1.00 0.00 C ATOM 1450 CG ASP A 91 -25.980 -6.209 -20.784 1.00 0.00 C ATOM 1451 OD1 ASP A 91 -26.268 -7.423 -20.682 1.00 0.00 O ATOM 1452 OD2 ASP A 91 -25.199 -5.793 -21.668 1.00 0.00 O ATOM 0 H ASP A 91 -27.665 -4.158 -17.354 1.00 0.00 H new ATOM 0 HA ASP A 91 -27.731 -6.706 -18.828 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -27.440 -4.676 -20.361 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -25.894 -4.423 -19.574 1.00 0.00 H new ATOM 1457 N VAL A 92 -25.368 -7.278 -17.973 1.00 0.00 N ATOM 1458 CA VAL A 92 -24.408 -8.003 -17.156 1.00 0.00 C ATOM 1459 C VAL A 92 -23.143 -8.319 -17.970 1.00 0.00 C ATOM 1460 O VAL A 92 -23.200 -8.522 -19.187 1.00 0.00 O ATOM 1461 CB VAL A 92 -25.138 -9.255 -16.596 1.00 0.00 C ATOM 1462 CG1 VAL A 92 -25.749 -10.150 -17.692 1.00 0.00 C ATOM 1463 CG2 VAL A 92 -24.285 -10.136 -15.674 1.00 0.00 C ATOM 0 H VAL A 92 -25.471 -7.683 -18.903 1.00 0.00 H new ATOM 0 HA VAL A 92 -24.054 -7.411 -16.312 1.00 0.00 H new ATOM 0 HB VAL A 92 -25.936 -8.812 -16.000 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -26.243 -11.005 -17.230 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -26.477 -9.577 -18.266 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -24.960 -10.502 -18.356 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -24.877 -10.985 -15.332 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -23.414 -10.498 -16.220 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -23.957 -9.552 -14.814 1.00 0.00 H new ATOM 1473 N TYR A 93 -22.006 -8.370 -17.276 1.00 0.00 N ATOM 1474 CA TYR A 93 -20.674 -8.660 -17.786 1.00 0.00 C ATOM 1475 C TYR A 93 -19.965 -9.586 -16.784 1.00 0.00 C ATOM 1476 O TYR A 93 -20.547 -9.988 -15.771 1.00 0.00 O ATOM 1477 CB TYR A 93 -19.896 -7.337 -17.937 1.00 0.00 C ATOM 1478 CG TYR A 93 -20.542 -6.296 -18.833 1.00 0.00 C ATOM 1479 CD1 TYR A 93 -20.302 -6.317 -20.221 1.00 0.00 C ATOM 1480 CD2 TYR A 93 -21.365 -5.295 -18.279 1.00 0.00 C ATOM 1481 CE1 TYR A 93 -20.868 -5.335 -21.051 1.00 0.00 C ATOM 1482 CE2 TYR A 93 -21.941 -4.313 -19.104 1.00 0.00 C ATOM 1483 CZ TYR A 93 -21.685 -4.323 -20.496 1.00 0.00 C ATOM 1484 OH TYR A 93 -22.199 -3.360 -21.311 1.00 0.00 O ATOM 0 H TYR A 93 -21.996 -8.197 -16.271 1.00 0.00 H new ATOM 0 HA TYR A 93 -20.728 -9.149 -18.759 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -19.757 -6.903 -16.947 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -18.904 -7.562 -18.328 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -19.681 -7.090 -20.648 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -21.554 -5.282 -17.216 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -20.679 -5.353 -22.114 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -22.578 -3.553 -18.676 1.00 0.00 H new ATOM 0 HH TYR A 93 -22.334 -3.729 -22.209 1.00 0.00 H new ATOM 1494 N THR A 94 -18.691 -9.885 -17.033 1.00 0.00 N ATOM 1495 CA THR A 94 -17.813 -10.564 -16.088 1.00 0.00 C ATOM 1496 C THR A 94 -16.655 -9.604 -15.798 1.00 0.00 C ATOM 1497 O THR A 94 -16.217 -8.872 -16.692 1.00 0.00 O ATOM 1498 CB THR A 94 -17.351 -11.911 -16.676 1.00 0.00 C ATOM 1499 OG1 THR A 94 -18.475 -12.692 -17.041 1.00 0.00 O ATOM 1500 CG2 THR A 94 -16.503 -12.733 -15.698 1.00 0.00 C ATOM 0 H THR A 94 -18.233 -9.656 -17.916 1.00 0.00 H new ATOM 0 HA THR A 94 -18.318 -10.807 -15.153 1.00 0.00 H new ATOM 0 HB THR A 94 -16.736 -11.669 -17.543 1.00 0.00 H new ATOM 0 HG1 THR A 94 -18.173 -13.546 -17.415 1.00 0.00 H new ATOM 0 HG21 THR A 94 -16.208 -13.670 -16.170 1.00 0.00 H new ATOM 0 HG22 THR A 94 -15.612 -12.168 -15.426 1.00 0.00 H new ATOM 0 HG23 THR A 94 -17.085 -12.946 -14.802 1.00 0.00 H new ATOM 1508 N ALA A 95 -16.166 -9.605 -14.558 1.00 0.00 N ATOM 1509 CA ALA A 95 -15.103 -8.732 -14.087 1.00 0.00 C ATOM 1510 C ALA A 95 -14.082 -9.556 -13.309 1.00 0.00 C ATOM 1511 O ALA A 95 -14.416 -10.586 -12.721 1.00 0.00 O ATOM 1512 CB ALA A 95 -15.700 -7.621 -13.214 1.00 0.00 C ATOM 0 H ALA A 95 -16.513 -10.235 -13.835 1.00 0.00 H new ATOM 0 HA ALA A 95 -14.598 -8.266 -14.933 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -14.902 -6.967 -12.861 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -16.412 -7.041 -13.800 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -16.210 -8.065 -12.359 1.00 0.00 H new ATOM 1518 N LYS A 96 -12.828 -9.100 -13.303 1.00 0.00 N ATOM 1519 CA LYS A 96 -11.785 -9.697 -12.477 1.00 0.00 C ATOM 1520 C LYS A 96 -12.114 -9.289 -11.047 1.00 0.00 C ATOM 1521 O LYS A 96 -12.300 -8.095 -10.801 1.00 0.00 O ATOM 1522 CB LYS A 96 -10.381 -9.175 -12.848 1.00 0.00 C ATOM 1523 CG LYS A 96 -9.859 -9.458 -14.272 1.00 0.00 C ATOM 1524 CD LYS A 96 -10.535 -8.715 -15.443 1.00 0.00 C ATOM 1525 CE LYS A 96 -10.701 -7.192 -15.268 1.00 0.00 C ATOM 1526 NZ LYS A 96 -9.425 -6.431 -15.319 1.00 0.00 N ATOM 0 H LYS A 96 -12.511 -8.312 -13.868 1.00 0.00 H new ATOM 0 HA LYS A 96 -11.762 -10.778 -12.618 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -10.375 -8.095 -12.698 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -9.669 -9.599 -12.140 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -8.795 -9.220 -14.293 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -9.950 -10.528 -14.456 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -9.953 -8.896 -16.347 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -11.520 -9.152 -15.605 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -11.366 -6.818 -16.047 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -11.189 -6.998 -14.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -9.542 -5.523 -14.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -8.674 -6.982 -14.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -9.165 -6.255 -16.311 1.00 0.00 H new ATOM 1540 N LEU A 97 -12.129 -10.222 -10.093 1.00 0.00 N ATOM 1541 CA LEU A 97 -12.272 -9.842 -8.686 1.00 0.00 C ATOM 1542 C LEU A 97 -11.100 -8.945 -8.266 1.00 0.00 C ATOM 1543 O LEU A 97 -11.273 -8.002 -7.497 1.00 0.00 O ATOM 1544 CB LEU A 97 -12.362 -11.093 -7.800 1.00 0.00 C ATOM 1545 CG LEU A 97 -12.582 -10.760 -6.309 1.00 0.00 C ATOM 1546 CD1 LEU A 97 -13.867 -9.952 -6.074 1.00 0.00 C ATOM 1547 CD2 LEU A 97 -12.646 -12.066 -5.517 1.00 0.00 C ATOM 0 H LEU A 97 -12.046 -11.224 -10.262 1.00 0.00 H new ATOM 0 HA LEU A 97 -13.196 -9.278 -8.559 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -13.180 -11.722 -8.151 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -11.445 -11.673 -7.906 1.00 0.00 H new ATOM 0 HG LEU A 97 -11.748 -10.143 -5.975 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -13.976 -9.743 -5.010 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -13.812 -9.013 -6.624 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -14.726 -10.526 -6.421 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -12.801 -11.844 -4.461 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -13.472 -12.675 -5.885 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -11.710 -12.612 -5.639 1.00 0.00 H new ATOM 1559 N SER A 98 -9.925 -9.202 -8.842 1.00 0.00 N ATOM 1560 CA SER A 98 -8.692 -8.441 -8.702 1.00 0.00 C ATOM 1561 C SER A 98 -8.833 -6.954 -9.074 1.00 0.00 C ATOM 1562 O SER A 98 -7.965 -6.156 -8.718 1.00 0.00 O ATOM 1563 CB SER A 98 -7.651 -9.105 -9.613 1.00 0.00 C ATOM 1564 OG SER A 98 -7.785 -10.520 -9.564 1.00 0.00 O ATOM 0 H SER A 98 -9.806 -10.004 -9.461 1.00 0.00 H new ATOM 0 HA SER A 98 -8.399 -8.453 -7.652 1.00 0.00 H new ATOM 0 HB2 SER A 98 -7.779 -8.756 -10.638 1.00 0.00 H new ATOM 0 HB3 SER A 98 -6.647 -8.817 -9.301 1.00 0.00 H new ATOM 0 HG SER A 98 -7.116 -10.932 -10.150 1.00 0.00 H new ATOM 1570 N ASP A 99 -9.898 -6.572 -9.792 1.00 0.00 N ATOM 1571 CA ASP A 99 -10.081 -5.236 -10.369 1.00 0.00 C ATOM 1572 C ASP A 99 -11.308 -4.538 -9.765 1.00 0.00 C ATOM 1573 O ASP A 99 -11.801 -3.535 -10.280 1.00 0.00 O ATOM 1574 CB ASP A 99 -10.151 -5.393 -11.897 1.00 0.00 C ATOM 1575 CG ASP A 99 -9.913 -4.121 -12.720 1.00 0.00 C ATOM 1576 OD1 ASP A 99 -9.231 -3.182 -12.259 1.00 0.00 O ATOM 1577 OD2 ASP A 99 -10.300 -4.154 -13.914 1.00 0.00 O ATOM 0 H ASP A 99 -10.676 -7.201 -9.992 1.00 0.00 H new ATOM 0 HA ASP A 99 -9.241 -4.585 -10.128 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -9.416 -6.139 -12.199 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -11.133 -5.790 -12.156 1.00 0.00 H new ATOM 1582 N ILE A 100 -11.800 -5.075 -8.646 1.00 0.00 N ATOM 1583 CA ILE A 100 -12.989 -4.614 -7.940 1.00 0.00 C ATOM 1584 C ILE A 100 -12.628 -4.276 -6.496 1.00 0.00 C ATOM 1585 O ILE A 100 -11.699 -4.824 -5.899 1.00 0.00 O ATOM 1586 CB ILE A 100 -14.124 -5.666 -8.089 1.00 0.00 C ATOM 1587 CG1 ILE A 100 -14.955 -5.288 -9.333 1.00 0.00 C ATOM 1588 CG2 ILE A 100 -15.055 -5.845 -6.869 1.00 0.00 C ATOM 1589 CD1 ILE A 100 -15.974 -6.343 -9.758 1.00 0.00 C ATOM 0 H ILE A 100 -11.360 -5.875 -8.192 1.00 0.00 H new ATOM 0 HA ILE A 100 -13.374 -3.693 -8.377 1.00 0.00 H new ATOM 0 HB ILE A 100 -13.631 -6.633 -8.184 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -15.480 -4.354 -9.134 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -14.276 -5.101 -10.165 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -15.805 -6.604 -7.092 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -14.468 -6.158 -6.006 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -15.550 -4.900 -6.647 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -16.513 -5.994 -10.639 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -15.458 -7.274 -9.993 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -16.680 -6.515 -8.946 1.00 0.00 H new ATOM 1601 N GLU A 101 -13.432 -3.374 -5.948 1.00 0.00 N ATOM 1602 CA GLU A 101 -13.427 -2.940 -4.564 1.00 0.00 C ATOM 1603 C GLU A 101 -14.822 -3.250 -4.033 1.00 0.00 C ATOM 1604 O GLU A 101 -15.811 -2.759 -4.579 1.00 0.00 O ATOM 1605 CB GLU A 101 -13.092 -1.441 -4.515 1.00 0.00 C ATOM 1606 CG GLU A 101 -13.220 -0.846 -3.107 1.00 0.00 C ATOM 1607 CD GLU A 101 -12.614 0.569 -3.026 1.00 0.00 C ATOM 1608 OE1 GLU A 101 -13.038 1.472 -3.784 1.00 0.00 O ATOM 1609 OE2 GLU A 101 -11.706 0.791 -2.192 1.00 0.00 O ATOM 0 H GLU A 101 -14.149 -2.898 -6.496 1.00 0.00 H new ATOM 0 HA GLU A 101 -12.680 -3.445 -3.952 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -12.075 -1.289 -4.877 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -13.755 -0.903 -5.193 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -14.272 -0.808 -2.823 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -12.720 -1.497 -2.390 1.00 0.00 H new ATOM 1616 N ALA A 102 -14.914 -4.104 -3.015 1.00 0.00 N ATOM 1617 CA ALA A 102 -16.190 -4.547 -2.480 1.00 0.00 C ATOM 1618 C ALA A 102 -16.773 -3.461 -1.579 1.00 0.00 C ATOM 1619 O ALA A 102 -16.049 -2.842 -0.793 1.00 0.00 O ATOM 1620 CB ALA A 102 -15.981 -5.839 -1.694 1.00 0.00 C ATOM 0 H ALA A 102 -14.104 -4.505 -2.542 1.00 0.00 H new ATOM 0 HA ALA A 102 -16.890 -4.735 -3.294 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -16.935 -6.177 -1.290 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -15.575 -6.605 -2.355 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -15.284 -5.658 -0.876 1.00 0.00 H new ATOM 1626 N ILE A 103 -18.086 -3.264 -1.670 1.00 0.00 N ATOM 1627 CA ILE A 103 -18.832 -2.257 -0.924 1.00 0.00 C ATOM 1628 C ILE A 103 -20.041 -2.949 -0.275 1.00 0.00 C ATOM 1629 O ILE A 103 -20.676 -3.811 -0.882 1.00 0.00 O ATOM 1630 CB ILE A 103 -19.214 -1.113 -1.897 1.00 0.00 C ATOM 1631 CG1 ILE A 103 -17.950 -0.343 -2.355 1.00 0.00 C ATOM 1632 CG2 ILE A 103 -20.236 -0.135 -1.287 1.00 0.00 C ATOM 1633 CD1 ILE A 103 -18.196 0.625 -3.514 1.00 0.00 C ATOM 0 H ILE A 103 -18.679 -3.820 -2.286 1.00 0.00 H new ATOM 0 HA ILE A 103 -18.248 -1.806 -0.121 1.00 0.00 H new ATOM 0 HB ILE A 103 -19.687 -1.580 -2.761 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -17.550 0.215 -1.508 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -17.187 -1.062 -2.652 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -20.468 0.646 -2.010 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -21.148 -0.675 -1.030 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -19.816 0.316 -0.388 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -17.263 1.124 -3.775 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -18.566 0.072 -4.378 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -18.935 1.369 -3.216 1.00 0.00 H new ATOM 1645 N ASP A 104 -20.364 -2.549 0.962 1.00 0.00 N ATOM 1646 CA ASP A 104 -21.522 -3.017 1.741 1.00 0.00 C ATOM 1647 C ASP A 104 -21.567 -4.547 1.931 1.00 0.00 C ATOM 1648 O ASP A 104 -22.627 -5.143 2.133 1.00 0.00 O ATOM 1649 CB ASP A 104 -22.821 -2.420 1.166 1.00 0.00 C ATOM 1650 CG ASP A 104 -24.036 -2.630 2.090 1.00 0.00 C ATOM 1651 OD1 ASP A 104 -23.954 -2.311 3.298 1.00 0.00 O ATOM 1652 OD2 ASP A 104 -25.109 -3.049 1.599 1.00 0.00 O ATOM 0 H ASP A 104 -19.805 -1.863 1.469 1.00 0.00 H new ATOM 0 HA ASP A 104 -21.410 -2.643 2.759 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -22.680 -1.353 0.996 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -23.025 -2.873 0.196 1.00 0.00 H new ATOM 1657 N VAL A 105 -20.405 -5.200 1.858 1.00 0.00 N ATOM 1658 CA VAL A 105 -20.256 -6.637 2.069 1.00 0.00 C ATOM 1659 C VAL A 105 -20.228 -6.996 3.557 1.00 0.00 C ATOM 1660 O VAL A 105 -20.011 -6.145 4.426 1.00 0.00 O ATOM 1661 CB VAL A 105 -18.977 -7.154 1.377 1.00 0.00 C ATOM 1662 CG1 VAL A 105 -19.268 -7.404 -0.097 1.00 0.00 C ATOM 1663 CG2 VAL A 105 -17.756 -6.237 1.521 1.00 0.00 C ATOM 0 H VAL A 105 -19.524 -4.732 1.646 1.00 0.00 H new ATOM 0 HA VAL A 105 -21.126 -7.121 1.626 1.00 0.00 H new ATOM 0 HB VAL A 105 -18.708 -8.078 1.889 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -18.367 -7.769 -0.589 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -20.059 -8.148 -0.191 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -19.587 -6.474 -0.568 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -16.905 -6.680 1.004 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -17.979 -5.263 1.085 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -17.515 -6.115 2.577 1.00 0.00 H new ATOM 1673 N ASP A 106 -20.438 -8.285 3.830 1.00 0.00 N ATOM 1674 CA ASP A 106 -20.221 -8.868 5.152 1.00 0.00 C ATOM 1675 C ASP A 106 -18.716 -8.934 5.408 1.00 0.00 C ATOM 1676 O ASP A 106 -17.925 -8.980 4.464 1.00 0.00 O ATOM 1677 CB ASP A 106 -20.808 -10.280 5.217 1.00 0.00 C ATOM 1678 CG ASP A 106 -20.560 -10.933 6.586 1.00 0.00 C ATOM 1679 OD1 ASP A 106 -21.222 -10.535 7.572 1.00 0.00 O ATOM 1680 OD2 ASP A 106 -19.663 -11.799 6.689 1.00 0.00 O ATOM 0 H ASP A 106 -20.765 -8.956 3.135 1.00 0.00 H new ATOM 0 HA ASP A 106 -20.712 -8.253 5.906 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -21.880 -10.239 5.022 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -20.365 -10.895 4.434 1.00 0.00 H new ATOM 1685 N ASP A 107 -18.317 -8.982 6.676 1.00 0.00 N ATOM 1686 CA ASP A 107 -16.915 -9.052 7.083 1.00 0.00 C ATOM 1687 C ASP A 107 -16.195 -10.244 6.458 1.00 0.00 C ATOM 1688 O ASP A 107 -15.092 -10.071 5.947 1.00 0.00 O ATOM 1689 CB ASP A 107 -16.822 -9.121 8.609 1.00 0.00 C ATOM 1690 CG ASP A 107 -15.361 -9.246 9.072 1.00 0.00 C ATOM 1691 OD1 ASP A 107 -14.635 -8.226 9.063 1.00 0.00 O ATOM 1692 OD2 ASP A 107 -14.952 -10.346 9.505 1.00 0.00 O ATOM 0 H ASP A 107 -18.967 -8.973 7.462 1.00 0.00 H new ATOM 0 HA ASP A 107 -16.420 -8.150 6.724 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -17.269 -8.227 9.044 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -17.396 -9.973 8.973 1.00 0.00 H new ATOM 1697 N ASP A 108 -16.804 -11.433 6.429 1.00 0.00 N ATOM 1698 CA ASP A 108 -16.117 -12.621 5.913 1.00 0.00 C ATOM 1699 C ASP A 108 -16.025 -12.576 4.386 1.00 0.00 C ATOM 1700 O ASP A 108 -15.072 -13.085 3.798 1.00 0.00 O ATOM 1701 CB ASP A 108 -16.823 -13.909 6.366 1.00 0.00 C ATOM 1702 CG ASP A 108 -15.906 -15.147 6.388 1.00 0.00 C ATOM 1703 OD1 ASP A 108 -14.665 -15.023 6.491 1.00 0.00 O ATOM 1704 OD2 ASP A 108 -16.447 -16.276 6.405 1.00 0.00 O ATOM 0 H ASP A 108 -17.757 -11.598 6.752 1.00 0.00 H new ATOM 0 HA ASP A 108 -15.107 -12.623 6.322 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -17.234 -13.755 7.364 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -17.665 -14.104 5.701 1.00 0.00 H new ATOM 1709 N THR A 109 -16.996 -11.921 3.739 1.00 0.00 N ATOM 1710 CA THR A 109 -16.974 -11.679 2.303 1.00 0.00 C ATOM 1711 C THR A 109 -15.843 -10.688 1.994 1.00 0.00 C ATOM 1712 O THR A 109 -14.993 -10.982 1.153 1.00 0.00 O ATOM 1713 CB THR A 109 -18.370 -11.188 1.874 1.00 0.00 C ATOM 1714 OG1 THR A 109 -19.318 -12.209 2.116 1.00 0.00 O ATOM 1715 CG2 THR A 109 -18.512 -10.826 0.396 1.00 0.00 C ATOM 0 H THR A 109 -17.821 -11.544 4.205 1.00 0.00 H new ATOM 0 HA THR A 109 -16.765 -12.582 1.730 1.00 0.00 H new ATOM 0 HB THR A 109 -18.531 -10.282 2.458 1.00 0.00 H new ATOM 0 HG1 THR A 109 -20.189 -11.806 2.314 1.00 0.00 H new ATOM 0 HG21 THR A 109 -19.531 -10.493 0.199 1.00 0.00 H new ATOM 0 HG22 THR A 109 -17.815 -10.026 0.149 1.00 0.00 H new ATOM 0 HG23 THR A 109 -18.292 -11.701 -0.216 1.00 0.00 H new ATOM 1723 N GLN A 110 -15.776 -9.553 2.703 1.00 0.00 N ATOM 1724 CA GLN A 110 -14.731 -8.554 2.519 1.00 0.00 C ATOM 1725 C GLN A 110 -13.358 -9.192 2.737 1.00 0.00 C ATOM 1726 O GLN A 110 -12.475 -9.034 1.900 1.00 0.00 O ATOM 1727 CB GLN A 110 -14.959 -7.371 3.482 1.00 0.00 C ATOM 1728 CG GLN A 110 -14.384 -6.039 2.968 1.00 0.00 C ATOM 1729 CD GLN A 110 -12.859 -6.035 2.833 1.00 0.00 C ATOM 1730 OE1 GLN A 110 -12.131 -6.153 3.815 1.00 0.00 O ATOM 1731 NE2 GLN A 110 -12.341 -5.895 1.622 1.00 0.00 N ATOM 0 H GLN A 110 -16.454 -9.307 3.424 1.00 0.00 H new ATOM 0 HA GLN A 110 -14.768 -8.171 1.499 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -16.029 -7.253 3.653 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -14.506 -7.605 4.445 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -14.826 -5.814 1.997 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -14.681 -5.240 3.647 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -12.955 -5.798 0.813 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -11.329 -5.884 1.498 1.00 0.00 H new ATOM 1740 N GLU A 111 -13.182 -9.939 3.827 1.00 0.00 N ATOM 1741 CA GLU A 111 -11.902 -10.539 4.167 1.00 0.00 C ATOM 1742 C GLU A 111 -11.467 -11.561 3.117 1.00 0.00 C ATOM 1743 O GLU A 111 -10.278 -11.628 2.821 1.00 0.00 O ATOM 1744 CB GLU A 111 -11.966 -11.172 5.566 1.00 0.00 C ATOM 1745 CG GLU A 111 -11.892 -10.121 6.690 1.00 0.00 C ATOM 1746 CD GLU A 111 -10.545 -9.369 6.737 1.00 0.00 C ATOM 1747 OE1 GLU A 111 -9.489 -9.964 6.424 1.00 0.00 O ATOM 1748 OE2 GLU A 111 -10.530 -8.178 7.126 1.00 0.00 O ATOM 0 H GLU A 111 -13.925 -10.142 4.495 1.00 0.00 H new ATOM 0 HA GLU A 111 -11.149 -9.751 4.179 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -12.892 -11.739 5.663 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -11.145 -11.880 5.679 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -12.698 -9.400 6.557 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -12.059 -10.612 7.649 1.00 0.00 H new ATOM 1755 N ALA A 112 -12.389 -12.316 2.508 1.00 0.00 N ATOM 1756 CA ALA A 112 -12.030 -13.261 1.455 1.00 0.00 C ATOM 1757 C ALA A 112 -11.505 -12.519 0.219 1.00 0.00 C ATOM 1758 O ALA A 112 -10.512 -12.931 -0.383 1.00 0.00 O ATOM 1759 CB ALA A 112 -13.238 -14.132 1.101 1.00 0.00 C ATOM 0 H ALA A 112 -13.385 -12.288 2.728 1.00 0.00 H new ATOM 0 HA ALA A 112 -11.232 -13.908 1.818 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -12.962 -14.834 0.315 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -13.560 -14.684 1.984 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -14.053 -13.499 0.752 1.00 0.00 H new ATOM 1765 N ILE A 113 -12.152 -11.409 -0.145 1.00 0.00 N ATOM 1766 CA ILE A 113 -11.754 -10.584 -1.282 1.00 0.00 C ATOM 1767 C ILE A 113 -10.397 -9.939 -0.977 1.00 0.00 C ATOM 1768 O ILE A 113 -9.501 -9.967 -1.822 1.00 0.00 O ATOM 1769 CB ILE A 113 -12.862 -9.546 -1.587 1.00 0.00 C ATOM 1770 CG1 ILE A 113 -14.170 -10.275 -1.971 1.00 0.00 C ATOM 1771 CG2 ILE A 113 -12.438 -8.579 -2.707 1.00 0.00 C ATOM 1772 CD1 ILE A 113 -15.403 -9.371 -2.016 1.00 0.00 C ATOM 0 H ILE A 113 -12.973 -11.057 0.347 1.00 0.00 H new ATOM 0 HA ILE A 113 -11.635 -11.189 -2.181 1.00 0.00 H new ATOM 0 HB ILE A 113 -13.029 -8.953 -0.688 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -14.039 -10.741 -2.948 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -14.348 -11.078 -1.256 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -13.240 -7.865 -2.894 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -11.538 -8.043 -2.404 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -12.235 -9.143 -3.617 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -16.277 -9.961 -2.293 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -15.563 -8.925 -1.035 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -15.249 -8.582 -2.753 1.00 0.00 H new ATOM 1784 N ALA A 114 -10.220 -9.398 0.232 1.00 0.00 N ATOM 1785 CA ALA A 114 -8.962 -8.812 0.664 1.00 0.00 C ATOM 1786 C ALA A 114 -7.847 -9.855 0.602 1.00 0.00 C ATOM 1787 O ALA A 114 -6.762 -9.559 0.113 1.00 0.00 O ATOM 1788 CB ALA A 114 -9.105 -8.248 2.081 1.00 0.00 C ATOM 0 H ALA A 114 -10.955 -9.357 0.938 1.00 0.00 H new ATOM 0 HA ALA A 114 -8.700 -7.993 -0.006 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -8.157 -7.811 2.396 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -9.879 -7.481 2.091 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -9.380 -9.050 2.766 1.00 0.00 H new ATOM 1794 N ASP A 115 -8.117 -11.083 1.048 1.00 0.00 N ATOM 1795 CA ASP A 115 -7.124 -12.151 1.075 1.00 0.00 C ATOM 1796 C ASP A 115 -6.704 -12.545 -0.342 1.00 0.00 C ATOM 1797 O ASP A 115 -5.513 -12.738 -0.584 1.00 0.00 O ATOM 1798 CB ASP A 115 -7.643 -13.365 1.852 1.00 0.00 C ATOM 1799 CG ASP A 115 -6.480 -14.257 2.306 1.00 0.00 C ATOM 1800 OD1 ASP A 115 -5.959 -13.998 3.416 1.00 0.00 O ATOM 1801 OD2 ASP A 115 -6.119 -15.217 1.593 1.00 0.00 O ATOM 0 H ASP A 115 -9.032 -11.362 1.401 1.00 0.00 H new ATOM 0 HA ASP A 115 -6.242 -11.775 1.593 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -8.212 -13.031 2.720 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -8.325 -13.939 1.225 1.00 0.00 H new ATOM 1806 N TRP A 116 -7.645 -12.585 -1.299 1.00 0.00 N ATOM 1807 CA TRP A 116 -7.321 -12.774 -2.712 1.00 0.00 C ATOM 1808 C TRP A 116 -6.414 -11.649 -3.215 1.00 0.00 C ATOM 1809 O TRP A 116 -5.389 -11.920 -3.842 1.00 0.00 O ATOM 1810 CB TRP A 116 -8.594 -12.857 -3.573 1.00 0.00 C ATOM 1811 CG TRP A 116 -8.319 -12.795 -5.047 1.00 0.00 C ATOM 1812 CD1 TRP A 116 -8.648 -11.772 -5.870 1.00 0.00 C ATOM 1813 CD2 TRP A 116 -7.540 -13.722 -5.865 1.00 0.00 C ATOM 1814 NE1 TRP A 116 -8.124 -11.999 -7.126 1.00 0.00 N ATOM 1815 CE2 TRP A 116 -7.415 -13.178 -7.177 1.00 0.00 C ATOM 1816 CE3 TRP A 116 -6.890 -14.951 -5.626 1.00 0.00 C ATOM 1817 CZ2 TRP A 116 -6.680 -13.814 -8.187 1.00 0.00 C ATOM 1818 CZ3 TRP A 116 -6.172 -15.612 -6.638 1.00 0.00 C ATOM 1819 CH2 TRP A 116 -6.060 -15.045 -7.919 1.00 0.00 C ATOM 0 H TRP A 116 -8.643 -12.488 -1.112 1.00 0.00 H new ATOM 0 HA TRP A 116 -6.788 -13.721 -2.804 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -9.117 -13.786 -3.347 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -9.262 -12.040 -3.301 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -9.232 -10.909 -5.587 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -8.247 -11.370 -7.920 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -6.945 -15.394 -4.643 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -6.591 -13.361 -9.163 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -5.703 -16.562 -6.429 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -5.501 -15.552 -8.692 1.00 0.00 H new ATOM 1830 N LEU A 117 -6.776 -10.392 -2.941 1.00 0.00 N ATOM 1831 CA LEU A 117 -6.020 -9.235 -3.412 1.00 0.00 C ATOM 1832 C LEU A 117 -4.597 -9.278 -2.847 1.00 0.00 C ATOM 1833 O LEU A 117 -3.636 -9.093 -3.598 1.00 0.00 O ATOM 1834 CB LEU A 117 -6.737 -7.934 -3.005 1.00 0.00 C ATOM 1835 CG LEU A 117 -8.035 -7.674 -3.796 1.00 0.00 C ATOM 1836 CD1 LEU A 117 -8.905 -6.653 -3.055 1.00 0.00 C ATOM 1837 CD2 LEU A 117 -7.743 -7.164 -5.212 1.00 0.00 C ATOM 0 H LEU A 117 -7.599 -10.152 -2.388 1.00 0.00 H new ATOM 0 HA LEU A 117 -5.958 -9.263 -4.500 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -6.971 -7.975 -1.941 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -6.058 -7.094 -3.150 1.00 0.00 H new ATOM 0 HG LEU A 117 -8.566 -8.623 -3.879 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -9.820 -6.475 -3.621 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -9.158 -7.039 -2.068 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -8.357 -5.717 -2.949 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -8.682 -6.992 -5.738 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -7.184 -6.230 -5.154 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -7.155 -7.906 -5.752 1.00 0.00 H new ATOM 1849 N TYR A 118 -4.450 -9.565 -1.548 1.00 0.00 N ATOM 1850 CA TYR A 118 -3.148 -9.694 -0.908 1.00 0.00 C ATOM 1851 C TYR A 118 -2.369 -10.850 -1.527 1.00 0.00 C ATOM 1852 O TYR A 118 -1.210 -10.656 -1.874 1.00 0.00 O ATOM 1853 CB TYR A 118 -3.276 -9.888 0.613 1.00 0.00 C ATOM 1854 CG TYR A 118 -3.969 -8.783 1.400 1.00 0.00 C ATOM 1855 CD1 TYR A 118 -3.799 -7.423 1.063 1.00 0.00 C ATOM 1856 CD2 TYR A 118 -4.777 -9.126 2.503 1.00 0.00 C ATOM 1857 CE1 TYR A 118 -4.460 -6.420 1.794 1.00 0.00 C ATOM 1858 CE2 TYR A 118 -5.443 -8.130 3.238 1.00 0.00 C ATOM 1859 CZ TYR A 118 -5.293 -6.771 2.882 1.00 0.00 C ATOM 1860 OH TYR A 118 -5.940 -5.812 3.604 1.00 0.00 O ATOM 0 H TYR A 118 -5.236 -9.713 -0.915 1.00 0.00 H new ATOM 0 HA TYR A 118 -2.603 -8.765 -1.075 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -3.815 -10.818 0.791 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -2.274 -10.017 1.023 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -3.157 -7.151 0.238 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -4.885 -10.163 2.786 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -4.332 -5.382 1.525 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -6.069 -8.403 4.074 1.00 0.00 H new ATOM 0 HH TYR A 118 -6.468 -6.236 4.312 1.00 0.00 H new ATOM 1870 N TRP A 119 -2.973 -12.027 -1.718 1.00 0.00 N ATOM 1871 CA TRP A 119 -2.290 -13.167 -2.318 1.00 0.00 C ATOM 1872 C TRP A 119 -1.761 -12.815 -3.710 1.00 0.00 C ATOM 1873 O TRP A 119 -0.613 -13.123 -4.033 1.00 0.00 O ATOM 1874 CB TRP A 119 -3.235 -14.374 -2.395 1.00 0.00 C ATOM 1875 CG TRP A 119 -2.781 -15.443 -3.341 1.00 0.00 C ATOM 1876 CD1 TRP A 119 -3.224 -15.590 -4.609 1.00 0.00 C ATOM 1877 CD2 TRP A 119 -1.744 -16.455 -3.163 1.00 0.00 C ATOM 1878 NE1 TRP A 119 -2.535 -16.609 -5.232 1.00 0.00 N ATOM 1879 CE2 TRP A 119 -1.599 -17.173 -4.389 1.00 0.00 C ATOM 1880 CE3 TRP A 119 -0.897 -16.826 -2.096 1.00 0.00 C ATOM 1881 CZ2 TRP A 119 -0.656 -18.201 -4.545 1.00 0.00 C ATOM 1882 CZ3 TRP A 119 0.047 -17.862 -2.241 1.00 0.00 C ATOM 1883 CH2 TRP A 119 0.170 -18.547 -3.463 1.00 0.00 C ATOM 0 H TRP A 119 -3.943 -12.211 -1.461 1.00 0.00 H new ATOM 0 HA TRP A 119 -1.440 -13.427 -1.687 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -3.340 -14.805 -1.399 1.00 0.00 H new ATOM 0 HB3 TRP A 119 -4.224 -14.030 -2.699 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -4.002 -14.997 -5.067 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -2.697 -16.908 -6.194 1.00 0.00 H new ATOM 0 HE3 TRP A 119 -0.974 -16.307 -1.152 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -0.567 -18.721 -5.488 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 0.680 -18.132 -1.409 1.00 0.00 H new ATOM 0 HH2 TRP A 119 0.898 -19.338 -3.569 1.00 0.00 H new ATOM 1894 N LEU A 120 -2.577 -12.156 -4.536 1.00 0.00 N ATOM 1895 CA LEU A 120 -2.215 -11.892 -5.918 1.00 0.00 C ATOM 1896 C LEU A 120 -0.993 -10.975 -5.962 1.00 0.00 C ATOM 1897 O LEU A 120 -0.058 -11.219 -6.725 1.00 0.00 O ATOM 1898 CB LEU A 120 -3.418 -11.283 -6.655 1.00 0.00 C ATOM 1899 CG LEU A 120 -3.171 -11.085 -8.162 1.00 0.00 C ATOM 1900 CD1 LEU A 120 -2.929 -12.416 -8.884 1.00 0.00 C ATOM 1901 CD2 LEU A 120 -4.385 -10.390 -8.778 1.00 0.00 C ATOM 0 H LEU A 120 -3.493 -11.798 -4.265 1.00 0.00 H new ATOM 0 HA LEU A 120 -1.950 -12.821 -6.423 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -4.285 -11.929 -6.518 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -3.663 -10.321 -6.204 1.00 0.00 H new ATOM 0 HG LEU A 120 -2.275 -10.476 -8.280 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -2.759 -12.229 -9.944 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -2.054 -12.907 -8.458 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -3.801 -13.059 -8.764 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -4.219 -10.246 -9.846 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -5.272 -11.006 -8.629 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -4.532 -9.422 -8.299 1.00 0.00 H new ATOM 1913 N ALA A 121 -0.981 -9.955 -5.100 1.00 0.00 N ATOM 1914 CA ALA A 121 0.130 -9.027 -4.964 1.00 0.00 C ATOM 1915 C ALA A 121 1.360 -9.678 -4.310 1.00 0.00 C ATOM 1916 O ALA A 121 2.486 -9.384 -4.713 1.00 0.00 O ATOM 1917 CB ALA A 121 -0.373 -7.826 -4.161 1.00 0.00 C ATOM 0 H ALA A 121 -1.758 -9.753 -4.470 1.00 0.00 H new ATOM 0 HA ALA A 121 0.467 -8.709 -5.950 1.00 0.00 H new ATOM 0 HB1 ALA A 121 0.436 -7.106 -4.038 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -1.201 -7.355 -4.691 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -0.713 -8.160 -3.181 1.00 0.00 H new