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= -0.0473 (180deg=-0.0428) USER MOD Set 1.2: A 74 CYS SG : rot 78:sc= 0.258 USER MOD Set 2.1: A 47 LYS NZ :NH3+ 159:sc= 1.02 (180deg=0) USER MOD Set 2.2: A 62 THR OG1 : rot 180:sc= 0.882 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl 146:sc= -1.37 (180deg=-4.71!) 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 0:sc= 0.584 USER MOD Single : A 39 THR OG1 : rot 95:sc= 1.31 USER MOD Single : A 45 MET CE :methyl -151:sc= -0.0397 (180deg=-0.599) USER MOD Single : A 49 LYS NZ :NH3+ 172:sc= 2.41 (180deg=2.32) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 179:sc= 1.02 (180deg=0.931) USER MOD Single : A 76 LYS NZ :NH3+ 161:sc= 2.32 (180deg=1.86) USER MOD Single : A 78 MET CE :methyl -142:sc= -0.011 (180deg=-0.0413) 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 120: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 180:sc= 0.524 USER MOD Single : A 109 THR OG1 : rot 150:sc= 0.458 USER MOD Single : A 110 GLN : amide:sc= -0.166 X(o=-0.17,f=-0.17) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 346 N ALA A 22 -3.290 -29.095 -3.793 1.00 0.00 N ATOM 347 CA ALA A 22 -2.908 -28.631 -5.121 1.00 0.00 C ATOM 348 C ALA A 22 -1.396 -28.446 -5.236 1.00 0.00 C ATOM 349 O ALA A 22 -0.722 -28.099 -4.264 1.00 0.00 O ATOM 350 CB ALA A 22 -3.611 -27.294 -5.381 1.00 0.00 C ATOM 0 HA ALA A 22 -3.206 -29.377 -5.858 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.340 -26.927 -6.371 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -4.691 -27.435 -5.329 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -3.303 -26.569 -4.628 1.00 0.00 H new ATOM 356 N GLU A 23 -0.879 -28.610 -6.453 1.00 0.00 N ATOM 357 CA GLU A 23 0.495 -28.271 -6.811 1.00 0.00 C ATOM 358 C GLU A 23 0.594 -27.705 -8.235 1.00 0.00 C ATOM 359 O GLU A 23 1.452 -26.853 -8.477 1.00 0.00 O ATOM 360 CB GLU A 23 1.436 -29.474 -6.600 1.00 0.00 C ATOM 361 CG GLU A 23 1.126 -30.703 -7.470 1.00 0.00 C ATOM 362 CD GLU A 23 2.132 -31.838 -7.211 1.00 0.00 C ATOM 363 OE1 GLU A 23 3.182 -31.895 -7.892 1.00 0.00 O ATOM 364 OE2 GLU A 23 1.882 -32.699 -6.337 1.00 0.00 O ATOM 0 H GLU A 23 -1.416 -28.990 -7.233 1.00 0.00 H new ATOM 0 HA GLU A 23 0.823 -27.478 -6.139 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.459 -29.155 -6.800 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.393 -29.770 -5.552 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.116 -31.054 -7.260 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.154 -30.422 -8.523 1.00 0.00 H new ATOM 371 N ASP A 24 -0.290 -28.098 -9.157 1.00 0.00 N ATOM 372 CA ASP A 24 -0.356 -27.520 -10.499 1.00 0.00 C ATOM 373 C ASP A 24 -1.195 -26.238 -10.475 1.00 0.00 C ATOM 374 O ASP A 24 -2.125 -26.113 -9.677 1.00 0.00 O ATOM 375 CB ASP A 24 -0.950 -28.533 -11.483 1.00 0.00 C ATOM 376 CG ASP A 24 -1.035 -27.939 -12.895 1.00 0.00 C ATOM 377 OD1 ASP A 24 -0.039 -28.032 -13.648 1.00 0.00 O ATOM 378 OD2 ASP A 24 -2.087 -27.358 -13.235 1.00 0.00 O ATOM 0 H ASP A 24 -0.982 -28.829 -8.991 1.00 0.00 H new ATOM 0 HA ASP A 24 0.653 -27.271 -10.829 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.336 -29.433 -11.499 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.944 -28.831 -11.149 1.00 0.00 H new ATOM 383 N LYS A 25 -0.879 -25.276 -11.348 1.00 0.00 N ATOM 384 CA LYS A 25 -1.575 -23.990 -11.419 1.00 0.00 C ATOM 385 C LYS A 25 -3.098 -24.123 -11.530 1.00 0.00 C ATOM 386 O LYS A 25 -3.808 -23.334 -10.906 1.00 0.00 O ATOM 387 CB LYS A 25 -0.998 -23.132 -12.560 1.00 0.00 C ATOM 388 CG LYS A 25 -1.221 -23.735 -13.958 1.00 0.00 C ATOM 389 CD LYS A 25 -0.557 -22.908 -15.061 1.00 0.00 C ATOM 390 CE LYS A 25 -0.867 -23.576 -16.407 1.00 0.00 C ATOM 391 NZ LYS A 25 -0.269 -22.845 -17.552 1.00 0.00 N ATOM 0 H LYS A 25 -0.127 -25.370 -12.030 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.397 -23.484 -10.470 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.452 -22.142 -12.524 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.072 -22.998 -12.398 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.825 -24.750 -13.980 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.291 -23.805 -14.154 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.932 -21.885 -15.048 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.520 -22.855 -14.901 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.492 -24.599 -16.397 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.947 -23.634 -16.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.506 -23.335 -18.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.646 -21.876 -17.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.764 -22.811 -17.441 1.00 0.00 H new ATOM 405 N GLU A 26 -3.614 -25.098 -12.284 1.00 0.00 N ATOM 406 CA GLU A 26 -5.055 -25.261 -12.439 1.00 0.00 C ATOM 407 C GLU A 26 -5.657 -25.718 -11.110 1.00 0.00 C ATOM 408 O GLU A 26 -6.694 -25.208 -10.692 1.00 0.00 O ATOM 409 CB GLU A 26 -5.379 -26.267 -13.556 1.00 0.00 C ATOM 410 CG GLU A 26 -4.988 -25.744 -14.946 1.00 0.00 C ATOM 411 CD GLU A 26 -5.411 -26.718 -16.061 1.00 0.00 C ATOM 412 OE1 GLU A 26 -4.702 -27.718 -16.315 1.00 0.00 O ATOM 413 OE2 GLU A 26 -6.448 -26.479 -16.722 1.00 0.00 O ATOM 0 H GLU A 26 -3.054 -25.782 -12.793 1.00 0.00 H new ATOM 0 HA GLU A 26 -5.492 -24.303 -12.723 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.855 -27.203 -13.362 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.446 -26.491 -13.542 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.455 -24.774 -15.114 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.910 -25.590 -14.987 1.00 0.00 H new ATOM 420 N GLU A 27 -4.984 -26.631 -10.405 1.00 0.00 N ATOM 421 CA GLU A 27 -5.438 -27.128 -9.111 1.00 0.00 C ATOM 422 C GLU A 27 -5.438 -25.990 -8.089 1.00 0.00 C ATOM 423 O GLU A 27 -6.355 -25.888 -7.277 1.00 0.00 O ATOM 424 CB GLU A 27 -4.520 -28.251 -8.610 1.00 0.00 C ATOM 425 CG GLU A 27 -4.380 -29.444 -9.562 1.00 0.00 C ATOM 426 CD GLU A 27 -3.345 -30.459 -9.040 1.00 0.00 C ATOM 427 OE1 GLU A 27 -2.307 -30.040 -8.476 1.00 0.00 O ATOM 428 OE2 GLU A 27 -3.567 -31.682 -9.207 1.00 0.00 O ATOM 0 H GLU A 27 -4.107 -27.045 -10.720 1.00 0.00 H new ATOM 0 HA GLU A 27 -6.448 -27.520 -9.230 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.530 -27.835 -8.424 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.899 -28.611 -7.654 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.347 -29.934 -9.678 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.081 -29.091 -10.549 1.00 0.00 H new ATOM 435 N ARG A 28 -4.430 -25.112 -8.131 1.00 0.00 N ATOM 436 CA ARG A 28 -4.354 -23.963 -7.231 1.00 0.00 C ATOM 437 C ARG A 28 -5.511 -23.005 -7.505 1.00 0.00 C ATOM 438 O ARG A 28 -6.129 -22.531 -6.550 1.00 0.00 O ATOM 439 CB ARG A 28 -2.997 -23.255 -7.372 1.00 0.00 C ATOM 440 CG ARG A 28 -1.808 -24.120 -6.913 1.00 0.00 C ATOM 441 CD ARG A 28 -0.477 -23.465 -7.301 1.00 0.00 C ATOM 442 NE ARG A 28 0.653 -24.400 -7.172 1.00 0.00 N ATOM 443 CZ ARG A 28 1.597 -24.420 -6.223 1.00 0.00 C ATOM 444 NH1 ARG A 28 1.555 -23.587 -5.186 1.00 0.00 N ATOM 445 NH2 ARG A 28 2.584 -25.301 -6.338 1.00 0.00 N ATOM 0 H ARG A 28 -3.651 -25.179 -8.786 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.439 -24.313 -6.202 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.850 -22.971 -8.414 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.013 -22.334 -6.790 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -1.849 -24.259 -5.833 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.877 -25.110 -7.364 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -0.535 -23.105 -8.328 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -0.302 -22.595 -6.668 1.00 0.00 H new ATOM 0 HE ARG A 28 0.725 -25.119 -7.892 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.792 -22.915 -5.102 1.00 0.00 H new ATOM 0 HH12 ARG A 28 2.286 -23.621 -4.475 1.00 0.00 H new ATOM 0 HH21 ARG A 28 2.608 -25.939 -7.134 1.00 0.00 H new ATOM 0 HH22 ARG A 28 3.318 -25.340 -5.631 1.00 0.00 H new ATOM 459 N ALA A 29 -5.848 -22.764 -8.777 1.00 0.00 N ATOM 460 CA ALA A 29 -6.991 -21.937 -9.130 1.00 0.00 C ATOM 461 C ALA A 29 -8.276 -22.576 -8.596 1.00 0.00 C ATOM 462 O ALA A 29 -9.115 -21.872 -8.037 1.00 0.00 O ATOM 463 CB ALA A 29 -7.056 -21.732 -10.648 1.00 0.00 C ATOM 0 H ALA A 29 -5.338 -23.136 -9.578 1.00 0.00 H new ATOM 0 HA ALA A 29 -6.881 -20.955 -8.671 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.917 -21.111 -10.895 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.145 -21.240 -10.988 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -7.153 -22.699 -11.142 1.00 0.00 H new ATOM 469 N MET A 30 -8.419 -23.901 -8.707 1.00 0.00 N ATOM 470 CA MET A 30 -9.569 -24.612 -8.157 1.00 0.00 C ATOM 471 C MET A 30 -9.627 -24.511 -6.636 1.00 0.00 C ATOM 472 O MET A 30 -10.707 -24.284 -6.105 1.00 0.00 O ATOM 473 CB MET A 30 -9.590 -26.077 -8.608 1.00 0.00 C ATOM 474 CG MET A 30 -9.805 -26.253 -10.114 1.00 0.00 C ATOM 475 SD MET A 30 -11.433 -25.788 -10.774 1.00 0.00 S ATOM 476 CE MET A 30 -11.276 -23.989 -10.974 1.00 0.00 C ATOM 0 H MET A 30 -7.744 -24.504 -9.178 1.00 0.00 H new ATOM 0 HA MET A 30 -10.460 -24.125 -8.552 1.00 0.00 H new ATOM 0 HB2 MET A 30 -8.648 -26.548 -8.327 1.00 0.00 H new ATOM 0 HB3 MET A 30 -10.382 -26.602 -8.073 1.00 0.00 H new ATOM 0 HG2 MET A 30 -9.048 -25.667 -10.635 1.00 0.00 H new ATOM 0 HG3 MET A 30 -9.625 -27.299 -10.362 1.00 0.00 H new ATOM 0 HE1 MET A 30 -11.847 -23.669 -11.845 1.00 0.00 H new ATOM 0 HE2 MET A 30 -11.660 -23.489 -10.085 1.00 0.00 H new ATOM 0 HE3 MET A 30 -10.227 -23.729 -11.112 1.00 0.00 H new ATOM 486 N GLY A 31 -8.502 -24.627 -5.929 1.00 0.00 N ATOM 487 CA GLY A 31 -8.463 -24.506 -4.476 1.00 0.00 C ATOM 488 C GLY A 31 -9.009 -23.151 -4.018 1.00 0.00 C ATOM 489 O GLY A 31 -9.949 -23.088 -3.213 1.00 0.00 O ATOM 0 H GLY A 31 -7.591 -24.808 -6.352 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.048 -25.308 -4.026 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.438 -24.625 -4.126 1.00 0.00 H new ATOM 493 N TRP A 32 -8.473 -22.073 -4.605 1.00 0.00 N ATOM 494 CA TRP A 32 -8.986 -20.726 -4.414 1.00 0.00 C ATOM 495 C TRP A 32 -10.478 -20.665 -4.742 1.00 0.00 C ATOM 496 O TRP A 32 -11.253 -20.208 -3.906 1.00 0.00 O ATOM 497 CB TRP A 32 -8.192 -19.722 -5.258 1.00 0.00 C ATOM 498 CG TRP A 32 -6.947 -19.194 -4.615 1.00 0.00 C ATOM 499 CD1 TRP A 32 -5.710 -19.729 -4.698 1.00 0.00 C ATOM 500 CD2 TRP A 32 -6.806 -18.005 -3.780 1.00 0.00 C ATOM 501 NE1 TRP A 32 -4.803 -18.922 -4.042 1.00 0.00 N ATOM 502 CE2 TRP A 32 -5.433 -17.861 -3.421 1.00 0.00 C ATOM 503 CE3 TRP A 32 -7.707 -17.037 -3.281 1.00 0.00 C ATOM 504 CZ2 TRP A 32 -4.986 -16.813 -2.604 1.00 0.00 C ATOM 505 CZ3 TRP A 32 -7.267 -15.994 -2.444 1.00 0.00 C ATOM 506 CH2 TRP A 32 -5.908 -15.876 -2.110 1.00 0.00 C ATOM 0 H TRP A 32 -7.667 -22.120 -5.228 1.00 0.00 H new ATOM 0 HA TRP A 32 -8.863 -20.455 -3.365 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -7.921 -20.198 -6.201 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -8.842 -18.881 -5.500 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -5.466 -20.652 -5.203 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -3.797 -19.088 -4.019 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -8.752 -17.099 -3.547 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -3.938 -16.727 -2.356 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -7.979 -15.280 -2.056 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -5.573 -15.068 -1.476 1.00 0.00 H new ATOM 517 N TYR A 33 -10.895 -21.150 -5.915 1.00 0.00 N ATOM 518 CA TYR A 33 -12.289 -21.105 -6.333 1.00 0.00 C ATOM 519 C TYR A 33 -13.203 -21.797 -5.320 1.00 0.00 C ATOM 520 O TYR A 33 -14.235 -21.228 -4.968 1.00 0.00 O ATOM 521 CB TYR A 33 -12.456 -21.734 -7.723 1.00 0.00 C ATOM 522 CG TYR A 33 -13.908 -21.900 -8.132 1.00 0.00 C ATOM 523 CD1 TYR A 33 -14.590 -20.843 -8.758 1.00 0.00 C ATOM 524 CD2 TYR A 33 -14.596 -23.090 -7.823 1.00 0.00 C ATOM 525 CE1 TYR A 33 -15.942 -20.982 -9.111 1.00 0.00 C ATOM 526 CE2 TYR A 33 -15.965 -23.212 -8.113 1.00 0.00 C ATOM 527 CZ TYR A 33 -16.644 -22.163 -8.774 1.00 0.00 C ATOM 528 OH TYR A 33 -17.966 -22.302 -9.075 1.00 0.00 O ATOM 0 H TYR A 33 -10.272 -21.583 -6.597 1.00 0.00 H new ATOM 0 HA TYR A 33 -12.584 -20.057 -6.384 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -11.946 -21.113 -8.460 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -11.968 -22.709 -7.735 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -14.072 -19.919 -8.969 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -14.069 -23.912 -7.361 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -16.446 -20.187 -9.640 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -16.499 -24.107 -7.831 1.00 0.00 H new ATOM 0 HH TYR A 33 -18.281 -23.178 -8.769 1.00 0.00 H new ATOM 538 N TYR A 34 -12.850 -23.001 -4.851 1.00 0.00 N ATOM 539 CA TYR A 34 -13.729 -23.803 -4.015 1.00 0.00 C ATOM 540 C TYR A 34 -14.039 -23.061 -2.722 1.00 0.00 C ATOM 541 O TYR A 34 -15.217 -22.904 -2.390 1.00 0.00 O ATOM 542 CB TYR A 34 -13.118 -25.181 -3.698 1.00 0.00 C ATOM 543 CG TYR A 34 -12.957 -26.158 -4.854 1.00 0.00 C ATOM 544 CD1 TYR A 34 -13.978 -26.330 -5.812 1.00 0.00 C ATOM 545 CD2 TYR A 34 -11.794 -26.952 -4.932 1.00 0.00 C ATOM 546 CE1 TYR A 34 -13.822 -27.254 -6.862 1.00 0.00 C ATOM 547 CE2 TYR A 34 -11.635 -27.885 -5.972 1.00 0.00 C ATOM 548 CZ TYR A 34 -12.645 -28.034 -6.948 1.00 0.00 C ATOM 549 OH TYR A 34 -12.477 -28.937 -7.956 1.00 0.00 O ATOM 0 H TYR A 34 -11.949 -23.438 -5.044 1.00 0.00 H new ATOM 0 HA TYR A 34 -14.652 -23.970 -4.571 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -12.136 -25.020 -3.254 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -13.737 -25.657 -2.938 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -14.885 -25.749 -5.739 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.020 -26.843 -4.187 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -14.601 -27.368 -7.602 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -10.740 -28.488 -6.024 1.00 0.00 H new ATOM 0 HH TYR A 34 -11.609 -29.381 -7.856 1.00 0.00 H new ATOM 559 N TYR A 35 -13.014 -22.587 -1.998 1.00 0.00 N ATOM 560 CA TYR A 35 -13.288 -21.897 -0.742 1.00 0.00 C ATOM 561 C TYR A 35 -13.939 -20.538 -1.018 1.00 0.00 C ATOM 562 O TYR A 35 -14.839 -20.146 -0.279 1.00 0.00 O ATOM 563 CB TYR A 35 -12.046 -21.789 0.158 1.00 0.00 C ATOM 564 CG TYR A 35 -11.342 -20.447 0.118 1.00 0.00 C ATOM 565 CD1 TYR A 35 -10.416 -20.183 -0.901 1.00 0.00 C ATOM 566 CD2 TYR A 35 -11.657 -19.447 1.058 1.00 0.00 C ATOM 567 CE1 TYR A 35 -9.792 -18.929 -0.986 1.00 0.00 C ATOM 568 CE2 TYR A 35 -11.040 -18.186 0.982 1.00 0.00 C ATOM 569 CZ TYR A 35 -10.100 -17.922 -0.042 1.00 0.00 C ATOM 570 OH TYR A 35 -9.488 -16.708 -0.120 1.00 0.00 O ATOM 0 H TYR A 35 -12.029 -22.666 -2.251 1.00 0.00 H new ATOM 0 HA TYR A 35 -13.998 -22.500 -0.175 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -12.342 -21.997 1.186 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -11.336 -22.564 -0.133 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -10.182 -20.949 -1.625 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -12.375 -19.649 1.839 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -9.077 -18.733 -1.772 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -11.283 -17.420 1.704 1.00 0.00 H new ATOM 0 HH TYR A 35 -8.869 -16.702 -0.880 1.00 0.00 H new ATOM 580 N LEU A 36 -13.520 -19.825 -2.072 1.00 0.00 N ATOM 581 CA LEU A 36 -14.014 -18.488 -2.368 1.00 0.00 C ATOM 582 C LEU A 36 -15.505 -18.540 -2.681 1.00 0.00 C ATOM 583 O LEU A 36 -16.274 -17.826 -2.047 1.00 0.00 O ATOM 584 CB LEU A 36 -13.213 -17.886 -3.532 1.00 0.00 C ATOM 585 CG LEU A 36 -13.683 -16.495 -3.995 1.00 0.00 C ATOM 586 CD1 LEU A 36 -13.600 -15.439 -2.886 1.00 0.00 C ATOM 587 CD2 LEU A 36 -12.805 -16.056 -5.171 1.00 0.00 C ATOM 0 H LEU A 36 -12.828 -20.166 -2.740 1.00 0.00 H new ATOM 0 HA LEU A 36 -13.880 -17.846 -1.498 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.166 -17.819 -3.237 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -13.262 -18.570 -4.379 1.00 0.00 H new ATOM 0 HG LEU A 36 -14.731 -16.576 -4.283 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -13.944 -14.479 -3.271 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -14.229 -15.741 -2.049 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -12.568 -15.346 -2.549 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -13.122 -15.071 -5.514 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -11.764 -16.011 -4.851 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -12.903 -16.773 -5.986 1.00 0.00 H new ATOM 599 N ASP A 37 -15.930 -19.404 -3.605 1.00 0.00 N ATOM 600 CA ASP A 37 -17.333 -19.538 -3.994 1.00 0.00 C ATOM 601 C ASP A 37 -18.200 -19.938 -2.798 1.00 0.00 C ATOM 602 O ASP A 37 -19.307 -19.426 -2.637 1.00 0.00 O ATOM 603 CB ASP A 37 -17.473 -20.580 -5.108 1.00 0.00 C ATOM 604 CG ASP A 37 -18.945 -20.745 -5.514 1.00 0.00 C ATOM 605 OD1 ASP A 37 -19.482 -19.851 -6.204 1.00 0.00 O ATOM 606 OD2 ASP A 37 -19.559 -21.779 -5.165 1.00 0.00 O ATOM 0 H ASP A 37 -15.305 -20.034 -4.107 1.00 0.00 H new ATOM 0 HA ASP A 37 -17.677 -18.570 -4.359 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -16.884 -20.276 -5.973 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -17.074 -21.537 -4.770 1.00 0.00 H new ATOM 611 N ASP A 38 -17.676 -20.808 -1.928 1.00 0.00 N ATOM 612 CA ASP A 38 -18.343 -21.201 -0.685 1.00 0.00 C ATOM 613 C ASP A 38 -18.412 -20.062 0.349 1.00 0.00 C ATOM 614 O ASP A 38 -19.316 -20.052 1.187 1.00 0.00 O ATOM 615 CB ASP A 38 -17.626 -22.413 -0.076 1.00 0.00 C ATOM 616 CG ASP A 38 -18.308 -22.885 1.220 1.00 0.00 C ATOM 617 OD1 ASP A 38 -19.431 -23.435 1.151 1.00 0.00 O ATOM 618 OD2 ASP A 38 -17.707 -22.757 2.310 1.00 0.00 O ATOM 0 H ASP A 38 -16.773 -21.261 -2.068 1.00 0.00 H new ATOM 0 HA ASP A 38 -19.371 -21.456 -0.942 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -17.613 -23.229 -0.798 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -16.588 -22.155 0.132 1.00 0.00 H new ATOM 623 N THR A 39 -17.493 -19.094 0.295 1.00 0.00 N ATOM 624 CA THR A 39 -17.382 -18.020 1.281 1.00 0.00 C ATOM 625 C THR A 39 -18.160 -16.774 0.844 1.00 0.00 C ATOM 626 O THR A 39 -18.754 -16.115 1.699 1.00 0.00 O ATOM 627 CB THR A 39 -15.895 -17.693 1.515 1.00 0.00 C ATOM 628 OG1 THR A 39 -15.220 -18.838 1.995 1.00 0.00 O ATOM 629 CG2 THR A 39 -15.691 -16.557 2.523 1.00 0.00 C ATOM 0 H THR A 39 -16.796 -19.035 -0.447 1.00 0.00 H new ATOM 0 HA THR A 39 -17.825 -18.357 2.218 1.00 0.00 H new ATOM 0 HB THR A 39 -15.492 -17.373 0.554 1.00 0.00 H new ATOM 0 HG1 THR A 39 -14.802 -19.310 1.245 1.00 0.00 H new ATOM 0 HG21 THR A 39 -14.625 -16.369 2.649 1.00 0.00 H new ATOM 0 HG22 THR A 39 -16.178 -15.653 2.156 1.00 0.00 H new ATOM 0 HG23 THR A 39 -16.125 -16.839 3.482 1.00 0.00 H new ATOM 637 N LEU A 40 -18.170 -16.446 -0.454 1.00 0.00 N ATOM 638 CA LEU A 40 -18.894 -15.296 -0.985 1.00 0.00 C ATOM 639 C LEU A 40 -20.377 -15.470 -0.649 1.00 0.00 C ATOM 640 O LEU A 40 -21.015 -16.389 -1.167 1.00 0.00 O ATOM 641 CB LEU A 40 -18.725 -15.173 -2.513 1.00 0.00 C ATOM 642 CG LEU A 40 -17.331 -14.776 -3.030 1.00 0.00 C ATOM 643 CD1 LEU A 40 -17.336 -14.791 -4.562 1.00 0.00 C ATOM 644 CD2 LEU A 40 -16.838 -13.419 -2.536 1.00 0.00 C ATOM 0 H LEU A 40 -17.671 -16.978 -1.166 1.00 0.00 H new ATOM 0 HA LEU A 40 -18.493 -14.388 -0.535 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -18.994 -16.129 -2.962 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -19.443 -14.438 -2.876 1.00 0.00 H new ATOM 0 HG LEU A 40 -16.636 -15.513 -2.627 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -16.350 -14.510 -4.932 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -17.585 -15.792 -4.915 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -18.077 -14.082 -4.930 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -15.849 -13.219 -2.948 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -17.530 -12.641 -2.859 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -16.783 -13.426 -1.447 1.00 0.00 H new ATOM 656 N GLU A 41 -20.956 -14.584 0.161 1.00 0.00 N ATOM 657 CA GLU A 41 -22.394 -14.555 0.428 1.00 0.00 C ATOM 658 C GLU A 41 -23.103 -13.813 -0.719 1.00 0.00 C ATOM 659 O GLU A 41 -23.823 -12.835 -0.509 1.00 0.00 O ATOM 660 CB GLU A 41 -22.692 -13.976 1.824 1.00 0.00 C ATOM 661 CG GLU A 41 -22.146 -14.875 2.945 1.00 0.00 C ATOM 662 CD GLU A 41 -22.865 -14.621 4.283 1.00 0.00 C ATOM 663 OE1 GLU A 41 -22.574 -13.616 4.968 1.00 0.00 O ATOM 664 OE2 GLU A 41 -23.731 -15.440 4.672 1.00 0.00 O ATOM 0 H GLU A 41 -20.435 -13.859 0.655 1.00 0.00 H new ATOM 0 HA GLU A 41 -22.792 -15.569 0.454 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -22.250 -12.983 1.907 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -23.769 -13.857 1.946 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -22.264 -15.921 2.662 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -21.078 -14.696 3.067 1.00 0.00 H new ATOM 671 N PHE A 42 -22.822 -14.237 -1.955 1.00 0.00 N ATOM 672 CA PHE A 42 -23.362 -13.647 -3.173 1.00 0.00 C ATOM 673 C PHE A 42 -24.900 -13.777 -3.234 1.00 0.00 C ATOM 674 O PHE A 42 -25.452 -14.703 -2.628 1.00 0.00 O ATOM 675 CB PHE A 42 -22.663 -14.269 -4.399 1.00 0.00 C ATOM 676 CG PHE A 42 -22.946 -15.741 -4.663 1.00 0.00 C ATOM 677 CD1 PHE A 42 -24.138 -16.130 -5.307 1.00 0.00 C ATOM 678 CD2 PHE A 42 -22.006 -16.727 -4.302 1.00 0.00 C ATOM 679 CE1 PHE A 42 -24.398 -17.487 -5.566 1.00 0.00 C ATOM 680 CE2 PHE A 42 -22.266 -18.084 -4.560 1.00 0.00 C ATOM 681 CZ PHE A 42 -23.462 -18.467 -5.190 1.00 0.00 C ATOM 0 H PHE A 42 -22.195 -15.021 -2.135 1.00 0.00 H new ATOM 0 HA PHE A 42 -23.156 -12.577 -3.175 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -22.953 -13.701 -5.283 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -21.587 -14.144 -4.279 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -24.857 -15.380 -5.604 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -21.081 -16.438 -3.825 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -25.317 -17.777 -6.054 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -21.544 -18.834 -4.273 1.00 0.00 H new ATOM 0 HZ PHE A 42 -23.662 -19.510 -5.385 1.00 0.00 H new ATOM 691 N PRO A 43 -25.606 -12.917 -3.997 1.00 0.00 N ATOM 692 CA PRO A 43 -25.092 -11.720 -4.658 1.00 0.00 C ATOM 693 C PRO A 43 -24.717 -10.635 -3.636 1.00 0.00 C ATOM 694 O PRO A 43 -25.257 -10.592 -2.528 1.00 0.00 O ATOM 695 CB PRO A 43 -26.216 -11.255 -5.589 1.00 0.00 C ATOM 696 CG PRO A 43 -27.482 -11.724 -4.875 1.00 0.00 C ATOM 697 CD PRO A 43 -27.042 -13.031 -4.215 1.00 0.00 C ATOM 0 HA PRO A 43 -24.177 -11.927 -5.212 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -26.207 -10.173 -5.722 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -26.126 -11.698 -6.581 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -27.824 -10.996 -4.139 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -28.304 -11.881 -5.573 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -27.567 -13.186 -3.272 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -27.272 -13.885 -4.852 1.00 0.00 H new ATOM 705 N PHE A 44 -23.793 -9.756 -4.022 1.00 0.00 N ATOM 706 CA PHE A 44 -23.320 -8.628 -3.219 1.00 0.00 C ATOM 707 C PHE A 44 -23.039 -7.450 -4.157 1.00 0.00 C ATOM 708 O PHE A 44 -23.403 -7.514 -5.332 1.00 0.00 O ATOM 709 CB PHE A 44 -22.106 -9.047 -2.366 1.00 0.00 C ATOM 710 CG PHE A 44 -20.818 -9.391 -3.102 1.00 0.00 C ATOM 711 CD1 PHE A 44 -20.639 -10.663 -3.682 1.00 0.00 C ATOM 712 CD2 PHE A 44 -19.762 -8.461 -3.146 1.00 0.00 C ATOM 713 CE1 PHE A 44 -19.426 -10.997 -4.308 1.00 0.00 C ATOM 714 CE2 PHE A 44 -18.557 -8.784 -3.794 1.00 0.00 C ATOM 715 CZ PHE A 44 -18.385 -10.054 -4.370 1.00 0.00 C ATOM 0 H PHE A 44 -23.337 -9.811 -4.933 1.00 0.00 H new ATOM 0 HA PHE A 44 -24.079 -8.307 -2.506 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -21.889 -8.238 -1.668 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -22.395 -9.913 -1.771 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -21.440 -11.386 -3.645 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -19.878 -7.494 -2.679 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -19.294 -11.977 -4.741 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -17.762 -8.055 -3.849 1.00 0.00 H new ATOM 0 HZ PHE A 44 -17.455 -10.305 -4.859 1.00 0.00 H new ATOM 725 N MET A 45 -22.416 -6.368 -3.682 1.00 0.00 N ATOM 726 CA MET A 45 -22.092 -5.224 -4.529 1.00 0.00 C ATOM 727 C MET A 45 -20.644 -4.780 -4.361 1.00 0.00 C ATOM 728 O MET A 45 -19.949 -5.166 -3.420 1.00 0.00 O ATOM 729 CB MET A 45 -23.096 -4.078 -4.313 1.00 0.00 C ATOM 730 CG MET A 45 -22.864 -3.237 -3.047 1.00 0.00 C ATOM 731 SD MET A 45 -23.320 -1.487 -3.211 1.00 0.00 S ATOM 732 CE MET A 45 -22.059 -0.916 -4.395 1.00 0.00 C ATOM 0 H MET A 45 -22.126 -6.263 -2.710 1.00 0.00 H new ATOM 0 HA MET A 45 -22.187 -5.540 -5.568 1.00 0.00 H new ATOM 0 HB2 MET A 45 -23.062 -3.418 -5.180 1.00 0.00 H new ATOM 0 HB3 MET A 45 -24.101 -4.499 -4.272 1.00 0.00 H new ATOM 0 HG2 MET A 45 -23.435 -3.673 -2.227 1.00 0.00 H new ATOM 0 HG3 MET A 45 -21.811 -3.301 -2.772 1.00 0.00 H new ATOM 0 HE1 MET A 45 -21.852 0.140 -4.225 1.00 0.00 H new ATOM 0 HE2 MET A 45 -21.144 -1.492 -4.258 1.00 0.00 H new ATOM 0 HE3 MET A 45 -22.426 -1.054 -5.412 1.00 0.00 H new ATOM 742 N GLY A 46 -20.198 -3.931 -5.275 1.00 0.00 N ATOM 743 CA GLY A 46 -18.848 -3.424 -5.273 1.00 0.00 C ATOM 744 C GLY A 46 -18.699 -2.246 -6.207 1.00 0.00 C ATOM 745 O GLY A 46 -19.658 -1.765 -6.817 1.00 0.00 O ATOM 0 H GLY A 46 -20.772 -3.577 -6.040 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -18.572 -3.125 -4.262 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -18.160 -4.215 -5.571 1.00 0.00 H new ATOM 749 N LYS A 47 -17.458 -1.800 -6.320 1.00 0.00 N ATOM 750 CA LYS A 47 -17.027 -0.832 -7.305 1.00 0.00 C ATOM 751 C LYS A 47 -16.024 -1.555 -8.192 1.00 0.00 C ATOM 752 O LYS A 47 -15.015 -2.055 -7.693 1.00 0.00 O ATOM 753 CB LYS A 47 -16.415 0.387 -6.592 1.00 0.00 C ATOM 754 CG LYS A 47 -16.286 1.603 -7.521 1.00 0.00 C ATOM 755 CD LYS A 47 -17.609 2.367 -7.684 1.00 0.00 C ATOM 756 CE LYS A 47 -17.971 3.211 -6.453 1.00 0.00 C ATOM 757 NZ LYS A 47 -19.146 4.083 -6.708 1.00 0.00 N ATOM 0 H LYS A 47 -16.704 -2.113 -5.709 1.00 0.00 H new ATOM 0 HA LYS A 47 -17.848 -0.451 -7.912 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -17.034 0.652 -5.735 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -15.431 0.122 -6.205 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -15.527 2.278 -7.126 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -15.939 1.272 -8.500 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -17.541 3.017 -8.556 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -18.411 1.655 -7.878 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -18.183 2.553 -5.611 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -17.117 3.826 -6.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -19.577 4.358 -5.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -18.841 4.936 -7.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -19.844 3.567 -7.281 1.00 0.00 H new ATOM 771 N TRP A 48 -16.305 -1.657 -9.487 1.00 0.00 N ATOM 772 CA TRP A 48 -15.320 -2.119 -10.450 1.00 0.00 C ATOM 773 C TRP A 48 -14.410 -0.915 -10.657 1.00 0.00 C ATOM 774 O TRP A 48 -14.832 0.108 -11.195 1.00 0.00 O ATOM 775 CB TRP A 48 -15.983 -2.614 -11.748 1.00 0.00 C ATOM 776 CG TRP A 48 -15.088 -3.268 -12.769 1.00 0.00 C ATOM 777 CD1 TRP A 48 -13.736 -3.295 -12.760 1.00 0.00 C ATOM 778 CD2 TRP A 48 -15.462 -4.020 -13.970 1.00 0.00 C ATOM 779 NE1 TRP A 48 -13.256 -3.973 -13.851 1.00 0.00 N ATOM 780 CE2 TRP A 48 -14.272 -4.466 -14.625 1.00 0.00 C ATOM 781 CE3 TRP A 48 -16.686 -4.381 -14.574 1.00 0.00 C ATOM 782 CZ2 TRP A 48 -14.288 -5.227 -15.800 1.00 0.00 C ATOM 783 CZ3 TRP A 48 -16.714 -5.154 -15.751 1.00 0.00 C ATOM 784 CH2 TRP A 48 -15.521 -5.578 -16.363 1.00 0.00 C ATOM 0 H TRP A 48 -17.212 -1.424 -9.892 1.00 0.00 H new ATOM 0 HA TRP A 48 -14.757 -2.985 -10.102 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -16.765 -3.324 -11.479 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -16.474 -1.764 -12.223 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -13.118 -2.844 -11.997 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -12.265 -4.095 -14.060 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -17.615 -4.060 -14.127 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -13.364 -5.538 -16.265 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -17.663 -5.424 -16.189 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -15.556 -6.172 -17.264 1.00 0.00 H new ATOM 795 N LYS A 49 -13.177 -1.010 -10.167 1.00 0.00 N ATOM 796 CA LYS A 49 -12.143 0.015 -10.274 1.00 0.00 C ATOM 797 C LYS A 49 -11.497 -0.118 -11.664 1.00 0.00 C ATOM 798 O LYS A 49 -10.284 -0.301 -11.763 1.00 0.00 O ATOM 799 CB LYS A 49 -11.120 -0.194 -9.128 1.00 0.00 C ATOM 800 CG LYS A 49 -11.711 -0.429 -7.724 1.00 0.00 C ATOM 801 CD LYS A 49 -12.429 0.770 -7.090 1.00 0.00 C ATOM 802 CE LYS A 49 -11.419 1.757 -6.489 1.00 0.00 C ATOM 803 NZ LYS A 49 -12.042 2.632 -5.471 1.00 0.00 N ATOM 0 H LYS A 49 -12.858 -1.838 -9.664 1.00 0.00 H new ATOM 0 HA LYS A 49 -12.548 1.022 -10.175 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -10.490 -1.047 -9.382 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -10.470 0.680 -9.085 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -12.414 -1.260 -7.781 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -10.905 -0.739 -7.059 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -13.035 1.276 -7.842 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -13.110 0.422 -6.313 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -10.595 1.204 -6.037 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -10.994 2.370 -7.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -11.305 3.189 -4.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -12.717 3.275 -5.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -12.543 2.048 -4.771 1.00 0.00 H new ATOM 817 N LYS A 50 -12.305 -0.115 -12.734 1.00 0.00 N ATOM 818 CA LYS A 50 -11.853 -0.464 -14.080 1.00 0.00 C ATOM 819 C LYS A 50 -10.679 0.417 -14.472 1.00 0.00 C ATOM 820 O LYS A 50 -10.805 1.640 -14.437 1.00 0.00 O ATOM 821 CB LYS A 50 -13.024 -0.377 -15.074 1.00 0.00 C ATOM 822 CG LYS A 50 -12.600 -0.799 -16.492 1.00 0.00 C ATOM 823 CD LYS A 50 -13.777 -0.904 -17.474 1.00 0.00 C ATOM 824 CE LYS A 50 -14.699 -2.086 -17.134 1.00 0.00 C ATOM 825 NZ LYS A 50 -15.731 -2.320 -18.177 1.00 0.00 N ATOM 0 H LYS A 50 -13.294 0.131 -12.685 1.00 0.00 H new ATOM 0 HA LYS A 50 -11.502 -1.496 -14.099 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -13.839 -1.015 -14.733 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -13.407 0.643 -15.097 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -11.878 -0.079 -16.877 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -12.092 -1.762 -16.440 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -14.351 0.022 -17.454 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.395 -1.021 -18.488 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -14.099 -2.988 -17.012 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -15.189 -1.898 -16.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -16.327 -3.127 -17.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -16.323 -1.471 -18.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -15.267 -2.527 -19.084 1.00 0.00 H new ATOM 976 N GLU A 59 -11.965 4.169 -14.021 1.00 0.00 N ATOM 977 CA GLU A 59 -13.386 4.387 -14.195 1.00 0.00 C ATOM 978 C GLU A 59 -14.037 3.547 -13.101 1.00 0.00 C ATOM 979 O GLU A 59 -14.089 2.319 -13.183 1.00 0.00 O ATOM 980 CB GLU A 59 -13.826 3.955 -15.607 1.00 0.00 C ATOM 981 CG GLU A 59 -13.239 4.823 -16.732 1.00 0.00 C ATOM 982 CD GLU A 59 -13.644 6.307 -16.639 1.00 0.00 C ATOM 983 OE1 GLU A 59 -14.850 6.615 -16.504 1.00 0.00 O ATOM 984 OE2 GLU A 59 -12.760 7.187 -16.742 1.00 0.00 O ATOM 0 HA GLU A 59 -13.673 5.435 -14.111 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -13.530 2.918 -15.768 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -14.914 3.989 -15.665 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -12.152 4.749 -16.707 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -13.564 4.426 -17.694 1.00 0.00 H new ATOM 991 N GLU A 60 -14.445 4.210 -12.023 1.00 0.00 N ATOM 992 CA GLU A 60 -15.067 3.568 -10.878 1.00 0.00 C ATOM 993 C GLU A 60 -16.547 3.359 -11.218 1.00 0.00 C ATOM 994 O GLU A 60 -17.321 4.321 -11.235 1.00 0.00 O ATOM 995 CB GLU A 60 -14.870 4.445 -9.630 1.00 0.00 C ATOM 996 CG GLU A 60 -13.390 4.591 -9.248 1.00 0.00 C ATOM 997 CD GLU A 60 -13.244 5.284 -7.885 1.00 0.00 C ATOM 998 OE1 GLU A 60 -13.381 4.598 -6.847 1.00 0.00 O ATOM 999 OE2 GLU A 60 -12.979 6.508 -7.840 1.00 0.00 O ATOM 0 H GLU A 60 -14.350 5.221 -11.922 1.00 0.00 H new ATOM 0 HA GLU A 60 -14.615 2.601 -10.659 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -15.295 5.432 -9.812 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -15.418 4.011 -8.794 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -12.920 3.608 -9.213 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -12.868 5.167 -10.012 1.00 0.00 H new ATOM 1006 N LYS A 61 -16.947 2.118 -11.512 1.00 0.00 N ATOM 1007 CA LYS A 61 -18.327 1.778 -11.869 1.00 0.00 C ATOM 1008 C LYS A 61 -18.952 1.041 -10.698 1.00 0.00 C ATOM 1009 O LYS A 61 -18.393 0.044 -10.245 1.00 0.00 O ATOM 1010 CB LYS A 61 -18.359 0.885 -13.120 1.00 0.00 C ATOM 1011 CG LYS A 61 -17.829 1.591 -14.378 1.00 0.00 C ATOM 1012 CD LYS A 61 -17.837 0.662 -15.604 1.00 0.00 C ATOM 1013 CE LYS A 61 -19.235 0.190 -16.040 1.00 0.00 C ATOM 1014 NZ LYS A 61 -20.124 1.291 -16.488 1.00 0.00 N ATOM 0 H LYS A 61 -16.317 1.316 -11.509 1.00 0.00 H new ATOM 0 HA LYS A 61 -18.883 2.689 -12.089 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -17.765 -0.010 -12.935 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -19.383 0.557 -13.299 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -18.439 2.470 -14.585 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -16.814 1.943 -14.196 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -17.366 1.180 -16.439 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -17.224 -0.213 -15.385 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -19.129 -0.532 -16.850 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -19.708 -0.332 -15.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -21.041 0.899 -16.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -20.269 1.961 -15.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -19.686 1.786 -17.291 1.00 0.00 H new ATOM 1028 N THR A 62 -20.082 1.510 -10.184 1.00 0.00 N ATOM 1029 CA THR A 62 -20.822 0.783 -9.161 1.00 0.00 C ATOM 1030 C THR A 62 -21.437 -0.460 -9.815 1.00 0.00 C ATOM 1031 O THR A 62 -22.043 -0.363 -10.885 1.00 0.00 O ATOM 1032 CB THR A 62 -21.874 1.716 -8.544 1.00 0.00 C ATOM 1033 OG1 THR A 62 -21.282 2.975 -8.266 1.00 0.00 O ATOM 1034 CG2 THR A 62 -22.409 1.165 -7.225 1.00 0.00 C ATOM 0 H THR A 62 -20.507 2.395 -10.461 1.00 0.00 H new ATOM 0 HA THR A 62 -20.175 0.452 -8.348 1.00 0.00 H new ATOM 0 HB THR A 62 -22.691 1.804 -9.260 1.00 0.00 H new ATOM 0 HG1 THR A 62 -21.953 3.572 -7.874 1.00 0.00 H new ATOM 0 HG21 THR A 62 -23.151 1.852 -6.818 1.00 0.00 H new ATOM 0 HG22 THR A 62 -22.871 0.193 -7.397 1.00 0.00 H new ATOM 0 HG23 THR A 62 -21.588 1.056 -6.516 1.00 0.00 H new ATOM 1042 N VAL A 63 -21.282 -1.624 -9.187 1.00 0.00 N ATOM 1043 CA VAL A 63 -21.676 -2.895 -9.774 1.00 0.00 C ATOM 1044 C VAL A 63 -22.296 -3.823 -8.728 1.00 0.00 C ATOM 1045 O VAL A 63 -21.975 -3.749 -7.541 1.00 0.00 O ATOM 1046 CB VAL A 63 -20.474 -3.570 -10.465 1.00 0.00 C ATOM 1047 CG1 VAL A 63 -19.994 -2.842 -11.732 1.00 0.00 C ATOM 1048 CG2 VAL A 63 -19.266 -3.806 -9.543 1.00 0.00 C ATOM 0 H VAL A 63 -20.878 -1.708 -8.254 1.00 0.00 H new ATOM 0 HA VAL A 63 -22.437 -2.694 -10.528 1.00 0.00 H new ATOM 0 HB VAL A 63 -20.881 -4.540 -10.752 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -19.147 -3.377 -12.160 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -20.805 -2.805 -12.460 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -19.690 -1.827 -11.475 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -18.465 -4.284 -10.107 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -18.914 -2.851 -9.152 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -19.561 -4.450 -8.715 1.00 0.00 H new ATOM 1058 N GLU A 64 -23.172 -4.715 -9.184 1.00 0.00 N ATOM 1059 CA GLU A 64 -23.691 -5.821 -8.394 1.00 0.00 C ATOM 1060 C GLU A 64 -22.890 -7.040 -8.846 1.00 0.00 C ATOM 1061 O GLU A 64 -22.721 -7.248 -10.046 1.00 0.00 O ATOM 1062 CB GLU A 64 -25.196 -5.994 -8.649 1.00 0.00 C ATOM 1063 CG GLU A 64 -25.809 -7.123 -7.808 1.00 0.00 C ATOM 1064 CD GLU A 64 -27.331 -7.217 -8.013 1.00 0.00 C ATOM 1065 OE1 GLU A 64 -27.786 -7.950 -8.920 1.00 0.00 O ATOM 1066 OE2 GLU A 64 -28.092 -6.575 -7.253 1.00 0.00 O ATOM 0 H GLU A 64 -23.546 -4.686 -10.132 1.00 0.00 H new ATOM 0 HA GLU A 64 -23.586 -5.660 -7.321 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -25.709 -5.059 -8.425 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -25.361 -6.202 -9.706 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -25.345 -8.072 -8.078 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -25.593 -6.951 -6.754 1.00 0.00 H new ATOM 1073 N VAL A 65 -22.384 -7.828 -7.906 1.00 0.00 N ATOM 1074 CA VAL A 65 -21.561 -8.996 -8.169 1.00 0.00 C ATOM 1075 C VAL A 65 -22.466 -10.197 -7.909 1.00 0.00 C ATOM 1076 O VAL A 65 -22.919 -10.420 -6.783 1.00 0.00 O ATOM 1077 CB VAL A 65 -20.281 -8.961 -7.310 1.00 0.00 C ATOM 1078 CG1 VAL A 65 -19.322 -10.061 -7.781 1.00 0.00 C ATOM 1079 CG2 VAL A 65 -19.549 -7.607 -7.411 1.00 0.00 C ATOM 0 H VAL A 65 -22.541 -7.665 -6.911 1.00 0.00 H new ATOM 0 HA VAL A 65 -21.190 -9.041 -9.193 1.00 0.00 H new ATOM 0 HB VAL A 65 -20.582 -9.115 -6.274 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -18.416 -10.038 -7.175 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -19.804 -11.033 -7.677 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -19.063 -9.895 -8.827 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -18.654 -7.630 -6.789 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -19.266 -7.423 -8.447 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -20.209 -6.810 -7.068 1.00 0.00 H new ATOM 1089 N LEU A 66 -22.794 -10.922 -8.978 1.00 0.00 N ATOM 1090 CA LEU A 66 -23.819 -11.961 -8.966 1.00 0.00 C ATOM 1091 C LEU A 66 -23.306 -13.260 -8.343 1.00 0.00 C ATOM 1092 O LEU A 66 -24.100 -14.006 -7.773 1.00 0.00 O ATOM 1093 CB LEU A 66 -24.306 -12.244 -10.401 1.00 0.00 C ATOM 1094 CG LEU A 66 -25.342 -11.248 -10.958 1.00 0.00 C ATOM 1095 CD1 LEU A 66 -24.808 -9.818 -11.105 1.00 0.00 C ATOM 1096 CD2 LEU A 66 -25.805 -11.735 -12.335 1.00 0.00 C ATOM 0 H LEU A 66 -22.349 -10.801 -9.888 1.00 0.00 H new ATOM 0 HA LEU A 66 -24.645 -11.593 -8.357 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -23.441 -12.251 -11.065 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -24.738 -13.244 -10.429 1.00 0.00 H new ATOM 0 HG LEU A 66 -26.159 -11.212 -10.238 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -25.594 -9.175 -11.502 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -24.493 -9.445 -10.130 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -23.958 -9.815 -11.787 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -26.539 -11.038 -12.740 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -24.949 -11.792 -13.008 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -26.257 -12.722 -12.239 1.00 0.00 H new ATOM 1108 N GLY A 67 -22.009 -13.548 -8.466 1.00 0.00 N ATOM 1109 CA GLY A 67 -21.396 -14.802 -8.075 1.00 0.00 C ATOM 1110 C GLY A 67 -20.122 -14.979 -8.894 1.00 0.00 C ATOM 1111 O GLY A 67 -19.769 -14.118 -9.706 1.00 0.00 O ATOM 0 H GLY A 67 -21.339 -12.885 -8.856 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -21.167 -14.798 -7.009 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -22.080 -15.632 -8.251 1.00 0.00 H new ATOM 1115 N MET A 68 -19.426 -16.092 -8.689 1.00 0.00 N ATOM 1116 CA MET A 68 -18.265 -16.449 -9.501 1.00 0.00 C ATOM 1117 C MET A 68 -18.680 -16.703 -10.956 1.00 0.00 C ATOM 1118 O MET A 68 -19.814 -17.100 -11.242 1.00 0.00 O ATOM 1119 CB MET A 68 -17.542 -17.679 -8.935 1.00 0.00 C ATOM 1120 CG MET A 68 -16.908 -17.452 -7.556 1.00 0.00 C ATOM 1121 SD MET A 68 -15.647 -16.147 -7.462 1.00 0.00 S ATOM 1122 CE MET A 68 -14.300 -16.883 -8.427 1.00 0.00 C ATOM 0 H MET A 68 -19.648 -16.770 -7.960 1.00 0.00 H new ATOM 0 HA MET A 68 -17.573 -15.607 -9.473 1.00 0.00 H new ATOM 0 HB2 MET A 68 -18.251 -18.504 -8.866 1.00 0.00 H new ATOM 0 HB3 MET A 68 -16.764 -17.984 -9.635 1.00 0.00 H new ATOM 0 HG2 MET A 68 -17.702 -17.214 -6.848 1.00 0.00 H new ATOM 0 HG3 MET A 68 -16.458 -18.389 -7.227 1.00 0.00 H new ATOM 0 HE1 MET A 68 -13.425 -16.235 -8.383 1.00 0.00 H new ATOM 0 HE2 MET A 68 -14.049 -17.860 -8.015 1.00 0.00 H new ATOM 0 HE3 MET A 68 -14.615 -16.997 -9.464 1.00 0.00 H new ATOM 1132 N ALA A 69 -17.732 -16.487 -11.868 1.00 0.00 N ATOM 1133 CA ALA A 69 -17.829 -16.821 -13.284 1.00 0.00 C ATOM 1134 C ALA A 69 -17.870 -18.351 -13.494 1.00 0.00 C ATOM 1135 O ALA A 69 -17.684 -19.102 -12.530 1.00 0.00 O ATOM 1136 CB ALA A 69 -16.612 -16.189 -13.967 1.00 0.00 C ATOM 0 H ALA A 69 -16.839 -16.056 -11.627 1.00 0.00 H new ATOM 0 HA ALA A 69 -18.753 -16.435 -13.715 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -16.638 -16.411 -15.034 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -16.632 -15.109 -13.820 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -15.699 -16.597 -13.533 1.00 0.00 H new ATOM 1142 N PRO A 70 -18.093 -18.835 -14.735 1.00 0.00 N ATOM 1143 CA PRO A 70 -17.958 -20.244 -15.085 1.00 0.00 C ATOM 1144 C PRO A 70 -16.655 -20.878 -14.595 1.00 0.00 C ATOM 1145 O PRO A 70 -15.611 -20.226 -14.494 1.00 0.00 O ATOM 1146 CB PRO A 70 -18.076 -20.307 -16.610 1.00 0.00 C ATOM 1147 CG PRO A 70 -18.998 -19.132 -16.919 1.00 0.00 C ATOM 1148 CD PRO A 70 -18.542 -18.086 -15.904 1.00 0.00 C ATOM 0 HA PRO A 70 -18.735 -20.826 -14.589 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -17.106 -20.201 -17.097 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -18.499 -21.254 -16.945 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -18.881 -18.782 -17.945 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -20.048 -19.394 -16.789 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -17.736 -17.473 -16.309 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -19.357 -17.410 -15.646 1.00 0.00 H new ATOM 1156 N ASP A 71 -16.719 -22.191 -14.373 1.00 0.00 N ATOM 1157 CA ASP A 71 -15.590 -23.020 -13.956 1.00 0.00 C ATOM 1158 C ASP A 71 -14.415 -22.890 -14.925 1.00 0.00 C ATOM 1159 O ASP A 71 -13.260 -22.883 -14.505 1.00 0.00 O ATOM 1160 CB ASP A 71 -16.052 -24.478 -13.900 1.00 0.00 C ATOM 1161 CG ASP A 71 -14.934 -25.414 -13.423 1.00 0.00 C ATOM 1162 OD1 ASP A 71 -14.676 -25.453 -12.201 1.00 0.00 O ATOM 1163 OD2 ASP A 71 -14.377 -26.167 -14.253 1.00 0.00 O ATOM 0 H ASP A 71 -17.583 -22.722 -14.482 1.00 0.00 H new ATOM 0 HA ASP A 71 -15.250 -22.686 -12.975 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -16.907 -24.562 -13.229 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -16.390 -24.790 -14.888 1.00 0.00 H new ATOM 1168 N ASP A 72 -14.719 -22.729 -16.219 1.00 0.00 N ATOM 1169 CA ASP A 72 -13.715 -22.589 -17.273 1.00 0.00 C ATOM 1170 C ASP A 72 -12.905 -21.302 -17.121 1.00 0.00 C ATOM 1171 O ASP A 72 -11.715 -21.277 -17.436 1.00 0.00 O ATOM 1172 CB ASP A 72 -14.383 -22.610 -18.651 1.00 0.00 C ATOM 1173 CG ASP A 72 -13.329 -22.497 -19.767 1.00 0.00 C ATOM 1174 OD1 ASP A 72 -12.700 -23.524 -20.109 1.00 0.00 O ATOM 1175 OD2 ASP A 72 -13.145 -21.394 -20.326 1.00 0.00 O ATOM 0 H ASP A 72 -15.678 -22.692 -16.563 1.00 0.00 H new ATOM 0 HA ASP A 72 -13.032 -23.433 -17.181 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -14.951 -23.533 -18.772 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -15.093 -21.787 -18.729 1.00 0.00 H new ATOM 1180 N GLU A 73 -13.522 -20.230 -16.620 1.00 0.00 N ATOM 1181 CA GLU A 73 -12.835 -18.970 -16.362 1.00 0.00 C ATOM 1182 C GLU A 73 -12.019 -19.108 -15.078 1.00 0.00 C ATOM 1183 O GLU A 73 -10.830 -18.778 -15.048 1.00 0.00 O ATOM 1184 CB GLU A 73 -13.850 -17.816 -16.278 1.00 0.00 C ATOM 1185 CG GLU A 73 -14.597 -17.548 -17.597 1.00 0.00 C ATOM 1186 CD GLU A 73 -13.686 -16.981 -18.704 1.00 0.00 C ATOM 1187 OE1 GLU A 73 -12.850 -17.729 -19.260 1.00 0.00 O ATOM 1188 OE2 GLU A 73 -13.818 -15.782 -19.043 1.00 0.00 O ATOM 0 H GLU A 73 -14.514 -20.215 -16.382 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.155 -18.737 -17.181 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -14.578 -18.041 -15.498 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -13.329 -16.908 -15.975 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -15.049 -18.476 -17.947 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -15.411 -16.848 -17.411 1.00 0.00 H new ATOM 1195 N CYS A 74 -12.633 -19.688 -14.045 1.00 0.00 N ATOM 1196 CA CYS A 74 -12.042 -19.823 -12.721 1.00 0.00 C ATOM 1197 C CYS A 74 -10.879 -20.821 -12.659 1.00 0.00 C ATOM 1198 O CYS A 74 -10.264 -20.981 -11.607 1.00 0.00 O ATOM 1199 CB CYS A 74 -13.133 -20.176 -11.712 1.00 0.00 C ATOM 1200 SG CYS A 74 -14.419 -18.889 -11.736 1.00 0.00 S ATOM 0 H CYS A 74 -13.571 -20.083 -14.111 1.00 0.00 H new ATOM 0 HA CYS A 74 -11.600 -18.860 -12.467 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -13.569 -21.145 -11.955 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -12.706 -20.260 -10.713 1.00 0.00 H new ATOM 0 HG CYS A 74 -15.186 -19.062 -12.771 1.00 0.00 H new ATOM 1206 N LEU A 75 -10.573 -21.490 -13.769 1.00 0.00 N ATOM 1207 CA LEU A 75 -9.457 -22.416 -13.916 1.00 0.00 C ATOM 1208 C LEU A 75 -8.128 -21.694 -14.148 1.00 0.00 C ATOM 1209 O LEU A 75 -7.088 -22.349 -14.068 1.00 0.00 O ATOM 1210 CB LEU A 75 -9.753 -23.412 -15.058 1.00 0.00 C ATOM 1211 CG LEU A 75 -10.367 -24.727 -14.539 1.00 0.00 C ATOM 1212 CD1 LEU A 75 -11.021 -25.502 -15.686 1.00 0.00 C ATOM 1213 CD2 LEU A 75 -9.306 -25.614 -13.873 1.00 0.00 C ATOM 0 H LEU A 75 -11.120 -21.396 -14.625 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.352 -22.964 -12.979 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -10.436 -22.951 -15.772 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.830 -23.631 -15.595 1.00 0.00 H new ATOM 0 HG LEU A 75 -11.121 -24.464 -13.797 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -11.449 -26.428 -15.302 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -11.809 -24.895 -16.132 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -10.271 -25.736 -16.442 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -9.771 -26.533 -13.518 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -8.528 -25.857 -14.597 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.864 -25.082 -13.031 1.00 0.00 H new ATOM 1225 N LYS A 76 -8.128 -20.378 -14.417 1.00 0.00 N ATOM 1226 CA LYS A 76 -6.889 -19.629 -14.652 1.00 0.00 C ATOM 1227 C LYS A 76 -6.810 -18.300 -13.907 1.00 0.00 C ATOM 1228 O LYS A 76 -5.698 -17.839 -13.655 1.00 0.00 O ATOM 1229 CB LYS A 76 -6.625 -19.441 -16.158 1.00 0.00 C ATOM 1230 CG LYS A 76 -7.678 -18.637 -16.947 1.00 0.00 C ATOM 1231 CD LYS A 76 -8.693 -19.524 -17.682 1.00 0.00 C ATOM 1232 CE LYS A 76 -9.686 -18.631 -18.439 1.00 0.00 C ATOM 1233 NZ LYS A 76 -10.653 -19.410 -19.248 1.00 0.00 N ATOM 0 H LYS A 76 -8.975 -19.813 -14.477 1.00 0.00 H new ATOM 0 HA LYS A 76 -6.095 -20.246 -14.231 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -5.660 -18.947 -16.276 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -6.537 -20.427 -16.614 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -8.211 -17.978 -16.261 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.171 -18.000 -17.672 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.178 -20.187 -18.377 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.223 -20.157 -16.971 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.230 -18.013 -17.725 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.135 -17.954 -19.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.476 -18.815 -19.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.198 -19.719 -20.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.965 -20.243 -18.709 1.00 0.00 H new ATOM 1247 N ASP A 77 -7.935 -17.689 -13.538 1.00 0.00 N ATOM 1248 CA ASP A 77 -7.963 -16.438 -12.773 1.00 0.00 C ATOM 1249 C ASP A 77 -9.314 -16.327 -12.066 1.00 0.00 C ATOM 1250 O ASP A 77 -10.279 -16.954 -12.500 1.00 0.00 O ATOM 1251 CB ASP A 77 -7.729 -15.249 -13.719 1.00 0.00 C ATOM 1252 CG ASP A 77 -7.758 -13.884 -13.014 1.00 0.00 C ATOM 1253 OD1 ASP A 77 -7.350 -13.804 -11.836 1.00 0.00 O ATOM 1254 OD2 ASP A 77 -8.134 -12.885 -13.666 1.00 0.00 O ATOM 0 H ASP A 77 -8.862 -18.050 -13.763 1.00 0.00 H new ATOM 0 HA ASP A 77 -7.172 -16.430 -12.024 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.765 -15.373 -14.212 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -8.490 -15.261 -14.499 1.00 0.00 H new ATOM 1259 N MET A 78 -9.403 -15.578 -10.967 1.00 0.00 N ATOM 1260 CA MET A 78 -10.646 -15.436 -10.215 1.00 0.00 C ATOM 1261 C MET A 78 -11.525 -14.400 -10.917 1.00 0.00 C ATOM 1262 O MET A 78 -11.202 -13.208 -10.935 1.00 0.00 O ATOM 1263 CB MET A 78 -10.367 -15.046 -8.755 1.00 0.00 C ATOM 1264 CG MET A 78 -9.654 -16.147 -7.954 1.00 0.00 C ATOM 1265 SD MET A 78 -10.552 -17.723 -7.791 1.00 0.00 S ATOM 1266 CE MET A 78 -9.735 -18.723 -9.067 1.00 0.00 C ATOM 0 H MET A 78 -8.619 -15.056 -10.576 1.00 0.00 H new ATOM 0 HA MET A 78 -11.171 -16.391 -10.187 1.00 0.00 H new ATOM 0 HB2 MET A 78 -9.758 -14.142 -8.738 1.00 0.00 H new ATOM 0 HB3 MET A 78 -11.310 -14.803 -8.265 1.00 0.00 H new ATOM 0 HG2 MET A 78 -8.692 -16.347 -8.426 1.00 0.00 H new ATOM 0 HG3 MET A 78 -9.446 -15.765 -6.955 1.00 0.00 H new ATOM 0 HE1 MET A 78 -10.473 -19.353 -9.564 1.00 0.00 H new ATOM 0 HE2 MET A 78 -9.267 -18.066 -9.800 1.00 0.00 H new ATOM 0 HE3 MET A 78 -8.974 -19.352 -8.605 1.00 0.00 H new ATOM 1276 N TYR A 79 -12.653 -14.847 -11.473 1.00 0.00 N ATOM 1277 CA TYR A 79 -13.573 -14.019 -12.242 1.00 0.00 C ATOM 1278 C TYR A 79 -14.966 -14.108 -11.616 1.00 0.00 C ATOM 1279 O TYR A 79 -15.323 -15.138 -11.040 1.00 0.00 O ATOM 1280 CB TYR A 79 -13.624 -14.523 -13.693 1.00 0.00 C ATOM 1281 CG TYR A 79 -12.475 -14.140 -14.606 1.00 0.00 C ATOM 1282 CD1 TYR A 79 -12.437 -12.850 -15.166 1.00 0.00 C ATOM 1283 CD2 TYR A 79 -11.526 -15.102 -15.004 1.00 0.00 C ATOM 1284 CE1 TYR A 79 -11.458 -12.513 -16.116 1.00 0.00 C ATOM 1285 CE2 TYR A 79 -10.568 -14.785 -15.984 1.00 0.00 C ATOM 1286 CZ TYR A 79 -10.520 -13.483 -16.535 1.00 0.00 C ATOM 1287 OH TYR A 79 -9.592 -13.157 -17.479 1.00 0.00 O ATOM 0 H TYR A 79 -12.956 -15.818 -11.397 1.00 0.00 H new ATOM 0 HA TYR A 79 -13.234 -12.983 -12.234 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -13.687 -15.611 -13.670 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -14.548 -14.160 -14.143 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -13.166 -12.113 -14.863 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -11.534 -16.085 -14.556 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -11.423 -11.514 -16.525 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -9.868 -15.537 -16.316 1.00 0.00 H new ATOM 0 HH TYR A 79 -9.020 -13.933 -17.657 1.00 0.00 H new ATOM 1297 N VAL A 80 -15.773 -13.061 -11.778 1.00 0.00 N ATOM 1298 CA VAL A 80 -17.109 -12.952 -11.203 1.00 0.00 C ATOM 1299 C VAL A 80 -18.071 -12.410 -12.260 1.00 0.00 C ATOM 1300 O VAL A 80 -17.687 -11.580 -13.087 1.00 0.00 O ATOM 1301 CB VAL A 80 -17.086 -12.062 -9.937 1.00 0.00 C ATOM 1302 CG1 VAL A 80 -16.440 -12.784 -8.746 1.00 0.00 C ATOM 1303 CG2 VAL A 80 -16.373 -10.709 -10.127 1.00 0.00 C ATOM 0 H VAL A 80 -15.507 -12.244 -12.328 1.00 0.00 H new ATOM 0 HA VAL A 80 -17.457 -13.938 -10.894 1.00 0.00 H new ATOM 0 HB VAL A 80 -18.138 -11.859 -9.737 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -16.443 -12.126 -7.877 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -17.005 -13.688 -8.519 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -15.413 -13.051 -8.996 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -16.402 -10.148 -9.193 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -15.336 -10.881 -10.414 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -16.876 -10.139 -10.908 1.00 0.00 H new ATOM 1313 N GLU A 81 -19.319 -12.877 -12.243 1.00 0.00 N ATOM 1314 CA GLU A 81 -20.387 -12.290 -13.046 1.00 0.00 C ATOM 1315 C GLU A 81 -20.791 -10.988 -12.360 1.00 0.00 C ATOM 1316 O GLU A 81 -20.867 -10.925 -11.128 1.00 0.00 O ATOM 1317 CB GLU A 81 -21.582 -13.248 -13.158 1.00 0.00 C ATOM 1318 CG GLU A 81 -21.257 -14.476 -14.017 1.00 0.00 C ATOM 1319 CD GLU A 81 -22.513 -15.320 -14.296 1.00 0.00 C ATOM 1320 OE1 GLU A 81 -22.943 -16.101 -13.418 1.00 0.00 O ATOM 1321 OE2 GLU A 81 -23.076 -15.225 -15.411 1.00 0.00 O ATOM 0 H GLU A 81 -19.616 -13.670 -11.674 1.00 0.00 H new ATOM 0 HA GLU A 81 -20.045 -12.100 -14.064 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -21.881 -13.572 -12.161 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -22.432 -12.719 -13.589 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -20.817 -14.154 -14.961 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -20.511 -15.089 -13.510 1.00 0.00 H new ATOM 1328 N VAL A 82 -21.060 -9.947 -13.143 1.00 0.00 N ATOM 1329 CA VAL A 82 -21.230 -8.603 -12.622 1.00 0.00 C ATOM 1330 C VAL A 82 -22.263 -7.855 -13.468 1.00 0.00 C ATOM 1331 O VAL A 82 -22.280 -8.000 -14.688 1.00 0.00 O ATOM 1332 CB VAL A 82 -19.828 -7.946 -12.606 1.00 0.00 C ATOM 1333 CG1 VAL A 82 -19.193 -7.796 -13.997 1.00 0.00 C ATOM 1334 CG2 VAL A 82 -19.840 -6.585 -11.927 1.00 0.00 C ATOM 0 H VAL A 82 -21.165 -10.016 -14.155 1.00 0.00 H new ATOM 0 HA VAL A 82 -21.622 -8.588 -11.605 1.00 0.00 H new ATOM 0 HB VAL A 82 -19.216 -8.641 -12.032 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -18.213 -7.328 -13.901 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -19.082 -8.779 -14.454 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -19.832 -7.174 -14.624 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -18.835 -6.163 -11.940 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -20.520 -5.919 -12.459 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -20.174 -6.696 -10.895 1.00 0.00 H new ATOM 1344 N ALA A 83 -23.115 -7.047 -12.841 1.00 0.00 N ATOM 1345 CA ALA A 83 -24.114 -6.224 -13.513 1.00 0.00 C ATOM 1346 C ALA A 83 -23.833 -4.759 -13.200 1.00 0.00 C ATOM 1347 O ALA A 83 -23.520 -4.399 -12.061 1.00 0.00 O ATOM 1348 CB ALA A 83 -25.524 -6.627 -13.075 1.00 0.00 C ATOM 0 H ALA A 83 -23.129 -6.945 -11.826 1.00 0.00 H new ATOM 0 HA ALA A 83 -24.055 -6.375 -14.591 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -26.256 -6.002 -13.586 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -25.699 -7.673 -13.328 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -25.622 -6.493 -11.998 1.00 0.00 H new ATOM 1354 N ASP A 84 -23.941 -3.909 -14.218 1.00 0.00 N ATOM 1355 CA ASP A 84 -23.512 -2.514 -14.173 1.00 0.00 C ATOM 1356 C ASP A 84 -24.614 -1.617 -13.624 1.00 0.00 C ATOM 1357 O ASP A 84 -25.176 -0.789 -14.339 1.00 0.00 O ATOM 1358 CB ASP A 84 -23.042 -2.071 -15.560 1.00 0.00 C ATOM 1359 CG ASP A 84 -22.542 -0.623 -15.570 1.00 0.00 C ATOM 1360 OD1 ASP A 84 -22.019 -0.140 -14.545 1.00 0.00 O ATOM 1361 OD2 ASP A 84 -22.614 0.016 -16.644 1.00 0.00 O ATOM 0 H ASP A 84 -24.339 -4.178 -15.118 1.00 0.00 H new ATOM 0 HA ASP A 84 -22.669 -2.423 -13.488 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -22.243 -2.731 -15.898 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -23.863 -2.174 -16.269 1.00 0.00 H new ATOM 1366 N ILE A 85 -24.974 -1.809 -12.357 1.00 0.00 N ATOM 1367 CA ILE A 85 -26.002 -1.011 -11.680 1.00 0.00 C ATOM 1368 C ILE A 85 -25.694 0.499 -11.701 1.00 0.00 C ATOM 1369 O ILE A 85 -26.609 1.313 -11.573 1.00 0.00 O ATOM 1370 CB ILE A 85 -26.272 -1.543 -10.253 1.00 0.00 C ATOM 1371 CG1 ILE A 85 -25.075 -1.336 -9.298 1.00 0.00 C ATOM 1372 CG2 ILE A 85 -26.703 -3.022 -10.325 1.00 0.00 C ATOM 1373 CD1 ILE A 85 -25.339 -1.765 -7.849 1.00 0.00 C ATOM 0 H ILE A 85 -24.559 -2.528 -11.764 1.00 0.00 H new ATOM 0 HA ILE A 85 -26.925 -1.128 -12.249 1.00 0.00 H new ATOM 0 HB ILE A 85 -27.086 -0.958 -9.826 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -24.221 -1.895 -9.680 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -24.797 -0.282 -9.307 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -26.893 -3.395 -9.319 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -27.612 -3.108 -10.921 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -25.910 -3.610 -10.786 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -24.447 -1.585 -7.248 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -26.171 -1.189 -7.445 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -25.586 -2.826 -7.823 1.00 0.00 H new ATOM 1385 N GLY A 86 -24.426 0.881 -11.893 1.00 0.00 N ATOM 1386 CA GLY A 86 -23.981 2.261 -12.015 1.00 0.00 C ATOM 1387 C GLY A 86 -24.111 2.815 -13.439 1.00 0.00 C ATOM 1388 O GLY A 86 -23.834 3.999 -13.641 1.00 0.00 O ATOM 0 H GLY A 86 -23.661 0.210 -11.969 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -24.562 2.884 -11.335 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -22.940 2.329 -11.699 1.00 0.00 H new ATOM 1392 N GLY A 87 -24.527 2.005 -14.419 1.00 0.00 N ATOM 1393 CA GLY A 87 -24.644 2.410 -15.813 1.00 0.00 C ATOM 1394 C GLY A 87 -25.769 1.655 -16.510 1.00 0.00 C ATOM 1395 O GLY A 87 -26.914 2.114 -16.478 1.00 0.00 O ATOM 0 H GLY A 87 -24.795 1.034 -14.257 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -24.832 3.482 -15.869 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -23.702 2.224 -16.329 1.00 0.00 H new ATOM 1399 N LYS A 88 -25.460 0.522 -17.154 1.00 0.00 N ATOM 1400 CA LYS A 88 -26.431 -0.210 -17.980 1.00 0.00 C ATOM 1401 C LYS A 88 -27.654 -0.649 -17.177 1.00 0.00 C ATOM 1402 O LYS A 88 -28.764 -0.602 -17.703 1.00 0.00 O ATOM 1403 CB LYS A 88 -25.794 -1.448 -18.637 1.00 0.00 C ATOM 1404 CG LYS A 88 -24.579 -1.172 -19.534 1.00 0.00 C ATOM 1405 CD LYS A 88 -24.894 -0.267 -20.733 1.00 0.00 C ATOM 1406 CE LYS A 88 -23.658 -0.164 -21.637 1.00 0.00 C ATOM 1407 NZ LYS A 88 -23.903 0.682 -22.832 1.00 0.00 N ATOM 0 H LYS A 88 -24.537 0.089 -17.118 1.00 0.00 H new ATOM 0 HA LYS A 88 -26.752 0.486 -18.755 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -25.493 -2.140 -17.850 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -26.555 -1.953 -19.232 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -23.794 -0.709 -18.936 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -24.184 -2.120 -19.899 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -25.736 -0.671 -21.295 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -25.188 0.724 -20.387 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -22.827 0.249 -21.066 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -23.360 -1.163 -21.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -23.041 0.722 -23.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -24.679 0.275 -23.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -24.162 1.643 -22.530 1.00 0.00 H new ATOM 1421 N ASP A 89 -27.440 -1.082 -15.932 1.00 0.00 N ATOM 1422 CA ASP A 89 -28.381 -1.612 -14.934 1.00 0.00 C ATOM 1423 C ASP A 89 -29.174 -2.863 -15.340 1.00 0.00 C ATOM 1424 O ASP A 89 -29.534 -3.666 -14.480 1.00 0.00 O ATOM 1425 CB ASP A 89 -29.308 -0.497 -14.435 1.00 0.00 C ATOM 1426 CG ASP A 89 -30.264 -0.991 -13.336 1.00 0.00 C ATOM 1427 OD1 ASP A 89 -29.814 -1.199 -12.188 1.00 0.00 O ATOM 1428 OD2 ASP A 89 -31.481 -1.121 -13.602 1.00 0.00 O ATOM 0 H ASP A 89 -26.493 -1.069 -15.553 1.00 0.00 H new ATOM 0 HA ASP A 89 -27.749 -1.971 -14.122 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -28.708 0.328 -14.050 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -29.888 -0.106 -15.271 1.00 0.00 H new ATOM 1433 N ASP A 90 -29.391 -3.080 -16.635 1.00 0.00 N ATOM 1434 CA ASP A 90 -30.258 -4.118 -17.194 1.00 0.00 C ATOM 1435 C ASP A 90 -29.453 -5.147 -18.000 1.00 0.00 C ATOM 1436 O ASP A 90 -30.021 -6.000 -18.683 1.00 0.00 O ATOM 1437 CB ASP A 90 -31.314 -3.428 -18.065 1.00 0.00 C ATOM 1438 CG ASP A 90 -32.406 -4.388 -18.571 1.00 0.00 C ATOM 1439 OD1 ASP A 90 -33.068 -5.057 -17.744 1.00 0.00 O ATOM 1440 OD2 ASP A 90 -32.663 -4.428 -19.797 1.00 0.00 O ATOM 0 H ASP A 90 -28.948 -2.512 -17.357 1.00 0.00 H new ATOM 0 HA ASP A 90 -30.742 -4.671 -16.389 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -31.781 -2.627 -17.492 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -30.823 -2.964 -18.920 1.00 0.00 H new ATOM 1445 N ASP A 91 -28.120 -5.080 -17.924 1.00 0.00 N ATOM 1446 CA ASP A 91 -27.216 -6.016 -18.598 1.00 0.00 C ATOM 1447 C ASP A 91 -26.098 -6.463 -17.657 1.00 0.00 C ATOM 1448 O ASP A 91 -25.839 -5.831 -16.628 1.00 0.00 O ATOM 1449 CB ASP A 91 -26.649 -5.410 -19.893 1.00 0.00 C ATOM 1450 CG ASP A 91 -26.085 -6.460 -20.873 1.00 0.00 C ATOM 1451 OD1 ASP A 91 -26.346 -7.674 -20.713 1.00 0.00 O ATOM 1452 OD2 ASP A 91 -25.409 -6.063 -21.848 1.00 0.00 O ATOM 0 H ASP A 91 -27.633 -4.364 -17.385 1.00 0.00 H new ATOM 0 HA ASP A 91 -27.792 -6.898 -18.877 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -27.435 -4.844 -20.393 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -25.860 -4.703 -19.638 1.00 0.00 H new ATOM 1457 N VAL A 92 -25.440 -7.558 -18.028 1.00 0.00 N ATOM 1458 CA VAL A 92 -24.498 -8.301 -17.201 1.00 0.00 C ATOM 1459 C VAL A 92 -23.261 -8.638 -18.047 1.00 0.00 C ATOM 1460 O VAL A 92 -23.353 -8.838 -19.262 1.00 0.00 O ATOM 1461 CB VAL A 92 -25.198 -9.575 -16.650 1.00 0.00 C ATOM 1462 CG1 VAL A 92 -24.390 -10.284 -15.553 1.00 0.00 C ATOM 1463 CG2 VAL A 92 -26.601 -9.303 -16.071 1.00 0.00 C ATOM 0 H VAL A 92 -25.555 -7.968 -18.955 1.00 0.00 H new ATOM 0 HA VAL A 92 -24.172 -7.709 -16.346 1.00 0.00 H new ATOM 0 HB VAL A 92 -25.278 -10.214 -17.529 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -24.934 -11.165 -15.212 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -23.422 -10.588 -15.953 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -24.239 -9.604 -14.715 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -27.031 -10.235 -15.705 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -26.524 -8.592 -15.249 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -27.242 -8.889 -16.850 1.00 0.00 H new ATOM 1473 N TYR A 93 -22.109 -8.712 -17.384 1.00 0.00 N ATOM 1474 CA TYR A 93 -20.782 -8.947 -17.934 1.00 0.00 C ATOM 1475 C TYR A 93 -20.018 -9.869 -16.970 1.00 0.00 C ATOM 1476 O TYR A 93 -20.588 -10.385 -16.002 1.00 0.00 O ATOM 1477 CB TYR A 93 -20.060 -7.593 -18.095 1.00 0.00 C ATOM 1478 CG TYR A 93 -20.783 -6.578 -18.961 1.00 0.00 C ATOM 1479 CD1 TYR A 93 -20.605 -6.595 -20.358 1.00 0.00 C ATOM 1480 CD2 TYR A 93 -21.632 -5.619 -18.373 1.00 0.00 C ATOM 1481 CE1 TYR A 93 -21.266 -5.656 -21.167 1.00 0.00 C ATOM 1482 CE2 TYR A 93 -22.304 -4.682 -19.177 1.00 0.00 C ATOM 1483 CZ TYR A 93 -22.118 -4.691 -20.580 1.00 0.00 C ATOM 1484 OH TYR A 93 -22.747 -3.765 -21.356 1.00 0.00 O ATOM 0 H TYR A 93 -22.080 -8.600 -16.371 1.00 0.00 H new ATOM 0 HA TYR A 93 -20.840 -9.424 -18.912 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -19.907 -7.161 -17.106 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -19.073 -7.773 -18.521 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -19.958 -7.333 -20.809 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -21.767 -5.604 -17.302 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -21.124 -5.671 -22.237 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -22.962 -3.955 -18.724 1.00 0.00 H new ATOM 0 HH TYR A 93 -23.717 -3.858 -21.254 1.00 0.00 H new ATOM 1494 N THR A 94 -18.714 -10.039 -17.194 1.00 0.00 N ATOM 1495 CA THR A 94 -17.803 -10.710 -16.274 1.00 0.00 C ATOM 1496 C THR A 94 -16.680 -9.717 -15.944 1.00 0.00 C ATOM 1497 O THR A 94 -16.288 -8.919 -16.801 1.00 0.00 O ATOM 1498 CB THR A 94 -17.285 -12.013 -16.917 1.00 0.00 C ATOM 1499 OG1 THR A 94 -18.366 -12.789 -17.406 1.00 0.00 O ATOM 1500 CG2 THR A 94 -16.495 -12.895 -15.942 1.00 0.00 C ATOM 0 H THR A 94 -18.254 -9.705 -18.041 1.00 0.00 H new ATOM 0 HA THR A 94 -18.296 -11.002 -15.347 1.00 0.00 H new ATOM 0 HB THR A 94 -16.621 -11.697 -17.722 1.00 0.00 H new ATOM 0 HG1 THR A 94 -18.021 -13.611 -17.812 1.00 0.00 H new ATOM 0 HG21 THR A 94 -16.159 -13.795 -16.456 1.00 0.00 H new ATOM 0 HG22 THR A 94 -15.630 -12.344 -15.572 1.00 0.00 H new ATOM 0 HG23 THR A 94 -17.134 -13.173 -15.104 1.00 0.00 H new ATOM 1508 N ALA A 95 -16.161 -9.776 -14.716 1.00 0.00 N ATOM 1509 CA ALA A 95 -15.036 -8.974 -14.254 1.00 0.00 C ATOM 1510 C ALA A 95 -14.047 -9.865 -13.523 1.00 0.00 C ATOM 1511 O ALA A 95 -14.417 -10.887 -12.946 1.00 0.00 O ATOM 1512 CB ALA A 95 -15.508 -7.848 -13.327 1.00 0.00 C ATOM 0 H ALA A 95 -16.525 -10.402 -13.998 1.00 0.00 H new ATOM 0 HA ALA A 95 -14.553 -8.521 -15.120 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -14.649 -7.265 -12.996 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -16.201 -7.201 -13.864 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -16.010 -8.277 -12.460 1.00 0.00 H new ATOM 1518 N LYS A 96 -12.778 -9.468 -13.540 1.00 0.00 N ATOM 1519 CA LYS A 96 -11.757 -10.091 -12.710 1.00 0.00 C ATOM 1520 C LYS A 96 -12.003 -9.585 -11.297 1.00 0.00 C ATOM 1521 O LYS A 96 -12.116 -8.375 -11.095 1.00 0.00 O ATOM 1522 CB LYS A 96 -10.333 -9.782 -13.224 1.00 0.00 C ATOM 1523 CG LYS A 96 -10.122 -8.372 -13.811 1.00 0.00 C ATOM 1524 CD LYS A 96 -10.317 -8.319 -15.338 1.00 0.00 C ATOM 1525 CE LYS A 96 -10.506 -6.871 -15.822 1.00 0.00 C ATOM 1526 NZ LYS A 96 -10.400 -6.757 -17.300 1.00 0.00 N ATOM 0 H LYS A 96 -12.432 -8.709 -14.127 1.00 0.00 H new ATOM 0 HA LYS A 96 -11.823 -11.179 -12.740 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -9.632 -9.921 -12.401 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -10.076 -10.515 -13.988 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -10.818 -7.680 -13.337 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -9.116 -8.030 -13.567 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -9.453 -8.762 -15.834 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -11.185 -8.916 -15.618 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -11.481 -6.506 -15.500 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -9.756 -6.232 -15.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -10.534 -5.765 -17.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -9.460 -7.081 -17.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -11.132 -7.346 -17.747 1.00 0.00 H new ATOM 1540 N LEU A 97 -12.073 -10.486 -10.315 1.00 0.00 N ATOM 1541 CA LEU A 97 -12.244 -10.093 -8.915 1.00 0.00 C ATOM 1542 C LEU A 97 -11.080 -9.199 -8.471 1.00 0.00 C ATOM 1543 O LEU A 97 -11.255 -8.289 -7.665 1.00 0.00 O ATOM 1544 CB LEU A 97 -12.357 -11.351 -8.039 1.00 0.00 C ATOM 1545 CG LEU A 97 -12.634 -11.048 -6.552 1.00 0.00 C ATOM 1546 CD1 LEU A 97 -13.934 -10.254 -6.356 1.00 0.00 C ATOM 1547 CD2 LEU A 97 -12.723 -12.371 -5.790 1.00 0.00 C ATOM 0 H LEU A 97 -12.014 -11.493 -10.464 1.00 0.00 H new ATOM 0 HA LEU A 97 -13.162 -9.516 -8.804 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -13.156 -11.983 -8.427 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -11.432 -11.922 -8.118 1.00 0.00 H new ATOM 0 HG LEU A 97 -11.817 -10.435 -6.171 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -14.088 -10.064 -5.294 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -13.865 -9.305 -6.888 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -14.774 -10.829 -6.747 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -12.919 -12.172 -4.736 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -13.532 -12.974 -6.202 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -11.782 -12.911 -5.888 1.00 0.00 H new ATOM 1559 N SER A 98 -9.913 -9.423 -9.073 1.00 0.00 N ATOM 1560 CA SER A 98 -8.694 -8.634 -8.999 1.00 0.00 C ATOM 1561 C SER A 98 -8.889 -7.133 -9.258 1.00 0.00 C ATOM 1562 O SER A 98 -8.028 -6.344 -8.870 1.00 0.00 O ATOM 1563 CB SER A 98 -7.739 -9.213 -10.050 1.00 0.00 C ATOM 1564 OG SER A 98 -7.814 -10.633 -10.036 1.00 0.00 O ATOM 0 H SER A 98 -9.791 -10.235 -9.678 1.00 0.00 H new ATOM 0 HA SER A 98 -8.309 -8.698 -7.981 1.00 0.00 H new ATOM 0 HB2 SER A 98 -7.999 -8.835 -11.039 1.00 0.00 H new ATOM 0 HB3 SER A 98 -6.718 -8.891 -9.844 1.00 0.00 H new ATOM 0 HG SER A 98 -7.204 -10.999 -10.709 1.00 0.00 H new ATOM 1570 N ASP A 99 -9.985 -6.729 -9.913 1.00 0.00 N ATOM 1571 CA ASP A 99 -10.204 -5.347 -10.354 1.00 0.00 C ATOM 1572 C ASP A 99 -11.453 -4.731 -9.713 1.00 0.00 C ATOM 1573 O ASP A 99 -11.925 -3.669 -10.120 1.00 0.00 O ATOM 1574 CB ASP A 99 -10.235 -5.329 -11.890 1.00 0.00 C ATOM 1575 CG ASP A 99 -9.916 -3.967 -12.521 1.00 0.00 C ATOM 1576 OD1 ASP A 99 -8.994 -3.271 -12.040 1.00 0.00 O ATOM 1577 OD2 ASP A 99 -10.500 -3.673 -13.589 1.00 0.00 O ATOM 0 H ASP A 99 -10.751 -7.358 -10.153 1.00 0.00 H new ATOM 0 HA ASP A 99 -9.383 -4.714 -10.017 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -9.521 -6.063 -12.263 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -11.223 -5.647 -12.224 1.00 0.00 H new ATOM 1582 N ILE A 100 -11.980 -5.393 -8.681 1.00 0.00 N ATOM 1583 CA ILE A 100 -13.178 -4.997 -7.948 1.00 0.00 C ATOM 1584 C ILE A 100 -12.813 -4.721 -6.491 1.00 0.00 C ATOM 1585 O ILE A 100 -11.857 -5.265 -5.935 1.00 0.00 O ATOM 1586 CB ILE A 100 -14.290 -6.068 -8.142 1.00 0.00 C ATOM 1587 CG1 ILE A 100 -15.178 -5.627 -9.325 1.00 0.00 C ATOM 1588 CG2 ILE A 100 -15.169 -6.375 -6.910 1.00 0.00 C ATOM 1589 CD1 ILE A 100 -16.172 -6.688 -9.798 1.00 0.00 C ATOM 0 H ILE A 100 -11.566 -6.253 -8.321 1.00 0.00 H new ATOM 0 HA ILE A 100 -13.590 -4.067 -8.339 1.00 0.00 H new ATOM 0 HB ILE A 100 -13.769 -7.007 -8.331 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -15.730 -4.733 -9.036 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -14.537 -5.349 -10.161 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -15.906 -7.135 -7.169 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -14.541 -6.740 -6.097 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -15.681 -5.467 -6.593 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -16.755 -6.295 -10.631 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -15.629 -7.576 -10.122 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -16.841 -6.950 -8.979 1.00 0.00 H new ATOM 1601 N GLU A 101 -13.640 -3.880 -5.882 1.00 0.00 N ATOM 1602 CA GLU A 101 -13.594 -3.495 -4.483 1.00 0.00 C ATOM 1603 C GLU A 101 -14.986 -3.781 -3.925 1.00 0.00 C ATOM 1604 O GLU A 101 -15.971 -3.240 -4.427 1.00 0.00 O ATOM 1605 CB GLU A 101 -13.206 -2.011 -4.394 1.00 0.00 C ATOM 1606 CG GLU A 101 -13.226 -1.478 -2.956 1.00 0.00 C ATOM 1607 CD GLU A 101 -12.589 -0.078 -2.857 1.00 0.00 C ATOM 1608 OE1 GLU A 101 -13.037 0.863 -3.553 1.00 0.00 O ATOM 1609 OE2 GLU A 101 -11.630 0.094 -2.069 1.00 0.00 O ATOM 0 H GLU A 101 -14.403 -3.424 -6.383 1.00 0.00 H new ATOM 0 HA GLU A 101 -12.853 -4.046 -3.904 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -12.209 -1.875 -4.814 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -13.892 -1.423 -5.004 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -14.255 -1.436 -2.598 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -12.690 -2.168 -2.305 1.00 0.00 H new ATOM 1616 N ALA A 102 -15.084 -4.674 -2.940 1.00 0.00 N ATOM 1617 CA ALA A 102 -16.366 -5.100 -2.396 1.00 0.00 C ATOM 1618 C ALA A 102 -16.890 -4.047 -1.425 1.00 0.00 C ATOM 1619 O ALA A 102 -16.125 -3.491 -0.631 1.00 0.00 O ATOM 1620 CB ALA A 102 -16.204 -6.441 -1.684 1.00 0.00 C ATOM 0 H ALA A 102 -14.278 -5.119 -2.501 1.00 0.00 H new ATOM 0 HA ALA A 102 -17.083 -5.217 -3.209 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -17.165 -6.756 -1.278 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -15.847 -7.188 -2.392 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -15.484 -6.337 -0.872 1.00 0.00 H new ATOM 1626 N ILE A 103 -18.199 -3.812 -1.466 1.00 0.00 N ATOM 1627 CA ILE A 103 -18.886 -2.807 -0.663 1.00 0.00 C ATOM 1628 C ILE A 103 -20.104 -3.459 0.000 1.00 0.00 C ATOM 1629 O ILE A 103 -20.779 -4.295 -0.603 1.00 0.00 O ATOM 1630 CB ILE A 103 -19.261 -1.619 -1.584 1.00 0.00 C ATOM 1631 CG1 ILE A 103 -17.980 -0.866 -2.012 1.00 0.00 C ATOM 1632 CG2 ILE A 103 -20.269 -0.645 -0.942 1.00 0.00 C ATOM 1633 CD1 ILE A 103 -18.226 0.170 -3.105 1.00 0.00 C ATOM 0 H ILE A 103 -18.829 -4.332 -2.077 1.00 0.00 H new ATOM 0 HA ILE A 103 -18.253 -2.418 0.134 1.00 0.00 H new ATOM 0 HB ILE A 103 -19.758 -2.038 -2.459 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -17.550 -0.371 -1.141 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -17.243 -1.588 -2.364 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -20.489 0.163 -1.639 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -21.189 -1.179 -0.703 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -19.843 -0.230 -0.028 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -17.287 0.662 -3.358 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -18.628 -0.323 -3.990 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -18.939 0.913 -2.748 1.00 0.00 H new ATOM 1645 N ASP A 104 -20.401 -3.020 1.229 1.00 0.00 N ATOM 1646 CA ASP A 104 -21.609 -3.366 1.988 1.00 0.00 C ATOM 1647 C ASP A 104 -21.849 -4.881 2.069 1.00 0.00 C ATOM 1648 O ASP A 104 -22.979 -5.362 1.960 1.00 0.00 O ATOM 1649 CB ASP A 104 -22.814 -2.561 1.466 1.00 0.00 C ATOM 1650 CG ASP A 104 -24.061 -2.717 2.357 1.00 0.00 C ATOM 1651 OD1 ASP A 104 -23.950 -2.607 3.600 1.00 0.00 O ATOM 1652 OD2 ASP A 104 -25.180 -2.882 1.818 1.00 0.00 O ATOM 0 H ASP A 104 -19.783 -2.390 1.741 1.00 0.00 H new ATOM 0 HA ASP A 104 -21.459 -3.071 3.027 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -22.544 -1.507 1.407 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -23.052 -2.886 0.453 1.00 0.00 H new ATOM 1657 N VAL A 105 -20.765 -5.645 2.250 1.00 0.00 N ATOM 1658 CA VAL A 105 -20.805 -7.103 2.355 1.00 0.00 C ATOM 1659 C VAL A 105 -20.293 -7.562 3.730 1.00 0.00 C ATOM 1660 O VAL A 105 -19.702 -6.778 4.479 1.00 0.00 O ATOM 1661 CB VAL A 105 -20.077 -7.722 1.140 1.00 0.00 C ATOM 1662 CG1 VAL A 105 -18.548 -7.779 1.279 1.00 0.00 C ATOM 1663 CG2 VAL A 105 -20.663 -9.093 0.792 1.00 0.00 C ATOM 0 H VAL A 105 -19.824 -5.260 2.328 1.00 0.00 H new ATOM 0 HA VAL A 105 -21.830 -7.471 2.310 1.00 0.00 H new ATOM 0 HB VAL A 105 -20.258 -7.041 0.309 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -18.118 -8.227 0.383 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -18.156 -6.770 1.404 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -18.284 -8.381 2.148 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -20.134 -9.508 -0.066 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -20.553 -9.763 1.645 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -21.720 -8.986 0.549 1.00 0.00 H new ATOM 1673 N ASP A 106 -20.556 -8.826 4.076 1.00 0.00 N ATOM 1674 CA ASP A 106 -20.159 -9.422 5.349 1.00 0.00 C ATOM 1675 C ASP A 106 -18.641 -9.539 5.442 1.00 0.00 C ATOM 1676 O ASP A 106 -17.960 -9.694 4.428 1.00 0.00 O ATOM 1677 CB ASP A 106 -20.765 -10.819 5.490 1.00 0.00 C ATOM 1678 CG ASP A 106 -20.419 -11.453 6.846 1.00 0.00 C ATOM 1679 OD1 ASP A 106 -21.030 -11.059 7.866 1.00 0.00 O ATOM 1680 OD2 ASP A 106 -19.513 -12.313 6.903 1.00 0.00 O ATOM 0 H ASP A 106 -21.059 -9.472 3.467 1.00 0.00 H new ATOM 0 HA ASP A 106 -20.523 -8.775 6.147 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -21.848 -10.759 5.382 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -20.399 -11.457 4.686 1.00 0.00 H new ATOM 1685 N ASP A 107 -18.133 -9.520 6.671 1.00 0.00 N ATOM 1686 CA ASP A 107 -16.713 -9.614 6.990 1.00 0.00 C ATOM 1687 C ASP A 107 -16.052 -10.822 6.340 1.00 0.00 C ATOM 1688 O ASP A 107 -14.952 -10.674 5.823 1.00 0.00 O ATOM 1689 CB ASP A 107 -16.532 -9.665 8.509 1.00 0.00 C ATOM 1690 CG ASP A 107 -15.051 -9.809 8.896 1.00 0.00 C ATOM 1691 OD1 ASP A 107 -14.300 -8.813 8.800 1.00 0.00 O ATOM 1692 OD2 ASP A 107 -14.651 -10.898 9.365 1.00 0.00 O ATOM 0 H ASP A 107 -18.720 -9.436 7.501 1.00 0.00 H new ATOM 0 HA ASP A 107 -16.223 -8.728 6.587 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -16.939 -8.758 8.956 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -17.098 -10.503 8.916 1.00 0.00 H new ATOM 1697 N ASP A 108 -16.701 -11.988 6.299 1.00 0.00 N ATOM 1698 CA ASP A 108 -16.064 -13.187 5.752 1.00 0.00 C ATOM 1699 C ASP A 108 -15.961 -13.107 4.224 1.00 0.00 C ATOM 1700 O ASP A 108 -14.970 -13.543 3.637 1.00 0.00 O ATOM 1701 CB ASP A 108 -16.829 -14.450 6.176 1.00 0.00 C ATOM 1702 CG ASP A 108 -15.990 -15.739 6.093 1.00 0.00 C ATOM 1703 OD1 ASP A 108 -14.745 -15.698 6.217 1.00 0.00 O ATOM 1704 OD2 ASP A 108 -16.597 -16.830 6.005 1.00 0.00 O ATOM 0 H ASP A 108 -17.655 -12.127 6.633 1.00 0.00 H new ATOM 0 HA ASP A 108 -15.053 -13.244 6.157 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -17.184 -14.323 7.199 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -17.710 -14.559 5.544 1.00 0.00 H new ATOM 1709 N THR A 109 -16.959 -12.491 3.578 1.00 0.00 N ATOM 1710 CA THR A 109 -16.928 -12.235 2.142 1.00 0.00 C ATOM 1711 C THR A 109 -15.840 -11.196 1.849 1.00 0.00 C ATOM 1712 O THR A 109 -14.984 -11.423 0.992 1.00 0.00 O ATOM 1713 CB THR A 109 -18.324 -11.780 1.673 1.00 0.00 C ATOM 1714 OG1 THR A 109 -19.274 -12.800 1.915 1.00 0.00 O ATOM 1715 CG2 THR A 109 -18.368 -11.501 0.173 1.00 0.00 C ATOM 0 H THR A 109 -17.806 -12.159 4.039 1.00 0.00 H new ATOM 0 HA THR A 109 -16.682 -13.140 1.587 1.00 0.00 H new ATOM 0 HB THR A 109 -18.548 -10.869 2.228 1.00 0.00 H new ATOM 0 HG1 THR A 109 -20.152 -12.397 2.082 1.00 0.00 H new ATOM 0 HG21 THR A 109 -19.372 -11.184 -0.109 1.00 0.00 H new ATOM 0 HG22 THR A 109 -17.656 -10.713 -0.071 1.00 0.00 H new ATOM 0 HG23 THR A 109 -18.107 -12.407 -0.373 1.00 0.00 H new ATOM 1723 N GLN A 110 -15.836 -10.079 2.584 1.00 0.00 N ATOM 1724 CA GLN A 110 -14.878 -9.004 2.391 1.00 0.00 C ATOM 1725 C GLN A 110 -13.453 -9.524 2.607 1.00 0.00 C ATOM 1726 O GLN A 110 -12.586 -9.237 1.791 1.00 0.00 O ATOM 1727 CB GLN A 110 -15.228 -7.824 3.321 1.00 0.00 C ATOM 1728 CG GLN A 110 -14.860 -6.451 2.737 1.00 0.00 C ATOM 1729 CD GLN A 110 -13.356 -6.250 2.538 1.00 0.00 C ATOM 1730 OE1 GLN A 110 -12.584 -6.230 3.493 1.00 0.00 O ATOM 1731 NE2 GLN A 110 -12.909 -6.090 1.301 1.00 0.00 N ATOM 0 H GLN A 110 -16.505 -9.902 3.333 1.00 0.00 H new ATOM 0 HA GLN A 110 -14.929 -8.636 1.366 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -16.297 -7.844 3.534 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -14.711 -7.956 4.272 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -15.364 -6.327 1.779 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -15.237 -5.672 3.399 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -13.561 -6.109 0.517 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -11.913 -5.948 1.133 1.00 0.00 H new ATOM 1740 N GLU A 111 -13.215 -10.335 3.639 1.00 0.00 N ATOM 1741 CA GLU A 111 -11.916 -10.927 3.940 1.00 0.00 C ATOM 1742 C GLU A 111 -11.405 -11.779 2.780 1.00 0.00 C ATOM 1743 O GLU A 111 -10.223 -11.698 2.445 1.00 0.00 O ATOM 1744 CB GLU A 111 -12.028 -11.795 5.205 1.00 0.00 C ATOM 1745 CG GLU A 111 -11.887 -10.980 6.499 1.00 0.00 C ATOM 1746 CD GLU A 111 -10.404 -10.840 6.880 1.00 0.00 C ATOM 1747 OE1 GLU A 111 -9.850 -11.769 7.508 1.00 0.00 O ATOM 1748 OE2 GLU A 111 -9.746 -9.840 6.517 1.00 0.00 O ATOM 0 H GLU A 111 -13.940 -10.603 4.304 1.00 0.00 H new ATOM 0 HA GLU A 111 -11.205 -10.117 4.102 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -12.991 -12.306 5.206 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -11.258 -12.566 5.181 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -12.330 -9.993 6.366 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -12.433 -11.468 7.306 1.00 0.00 H new ATOM 1755 N ALA A 112 -12.274 -12.582 2.155 1.00 0.00 N ATOM 1756 CA ALA A 112 -11.857 -13.459 1.067 1.00 0.00 C ATOM 1757 C ALA A 112 -11.389 -12.625 -0.131 1.00 0.00 C ATOM 1758 O ALA A 112 -10.351 -12.910 -0.729 1.00 0.00 O ATOM 1759 CB ALA A 112 -13.006 -14.396 0.680 1.00 0.00 C ATOM 0 H ALA A 112 -13.266 -12.639 2.387 1.00 0.00 H new ATOM 0 HA ALA A 112 -11.018 -14.072 1.398 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -12.686 -15.047 -0.133 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -13.287 -15.002 1.541 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -13.863 -13.806 0.356 1.00 0.00 H new ATOM 1765 N ILE A 113 -12.141 -11.573 -0.457 1.00 0.00 N ATOM 1766 CA ILE A 113 -11.841 -10.686 -1.576 1.00 0.00 C ATOM 1767 C ILE A 113 -10.575 -9.882 -1.252 1.00 0.00 C ATOM 1768 O ILE A 113 -9.677 -9.784 -2.089 1.00 0.00 O ATOM 1769 CB ILE A 113 -13.074 -9.793 -1.857 1.00 0.00 C ATOM 1770 CG1 ILE A 113 -14.294 -10.674 -2.225 1.00 0.00 C ATOM 1771 CG2 ILE A 113 -12.775 -8.776 -2.976 1.00 0.00 C ATOM 1772 CD1 ILE A 113 -15.619 -9.914 -2.255 1.00 0.00 C ATOM 0 H ILE A 113 -12.984 -11.312 0.055 1.00 0.00 H new ATOM 0 HA ILE A 113 -11.639 -11.250 -2.487 1.00 0.00 H new ATOM 0 HB ILE A 113 -13.309 -9.231 -0.953 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -14.123 -11.125 -3.202 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -14.371 -11.490 -1.507 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -13.657 -8.161 -3.154 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -11.943 -8.139 -2.676 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -12.513 -9.308 -3.891 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -16.425 -10.598 -2.520 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -15.815 -9.486 -1.272 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -15.563 -9.115 -2.994 1.00 0.00 H new ATOM 1784 N ALA A 114 -10.479 -9.338 -0.036 1.00 0.00 N ATOM 1785 CA ALA A 114 -9.340 -8.557 0.408 1.00 0.00 C ATOM 1786 C ALA A 114 -8.070 -9.393 0.312 1.00 0.00 C ATOM 1787 O ALA A 114 -7.085 -8.929 -0.256 1.00 0.00 O ATOM 1788 CB ALA A 114 -9.556 -8.069 1.844 1.00 0.00 C ATOM 0 H ALA A 114 -11.206 -9.434 0.673 1.00 0.00 H new ATOM 0 HA ALA A 114 -9.235 -7.685 -0.237 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -8.693 -7.485 2.163 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -10.451 -7.448 1.887 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -9.678 -8.927 2.505 1.00 0.00 H new ATOM 1794 N ASP A 115 -8.089 -10.632 0.810 1.00 0.00 N ATOM 1795 CA ASP A 115 -6.878 -11.443 0.806 1.00 0.00 C ATOM 1796 C ASP A 115 -6.534 -11.955 -0.590 1.00 0.00 C ATOM 1797 O ASP A 115 -5.364 -12.216 -0.835 1.00 0.00 O ATOM 1798 CB ASP A 115 -6.872 -12.575 1.837 1.00 0.00 C ATOM 1799 CG ASP A 115 -5.414 -13.020 2.067 1.00 0.00 C ATOM 1800 OD1 ASP A 115 -4.630 -12.226 2.634 1.00 0.00 O ATOM 1801 OD2 ASP A 115 -5.023 -14.145 1.683 1.00 0.00 O ATOM 0 H ASP A 115 -8.911 -11.084 1.211 1.00 0.00 H new ATOM 0 HA ASP A 115 -6.087 -10.762 1.120 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -7.317 -12.237 2.773 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -7.472 -13.413 1.483 1.00 0.00 H new ATOM 1806 N TRP A 116 -7.490 -12.054 -1.526 1.00 0.00 N ATOM 1807 CA TRP A 116 -7.170 -12.320 -2.930 1.00 0.00 C ATOM 1808 C TRP A 116 -6.363 -11.147 -3.496 1.00 0.00 C ATOM 1809 O TRP A 116 -5.317 -11.347 -4.115 1.00 0.00 O ATOM 1810 CB TRP A 116 -8.445 -12.548 -3.762 1.00 0.00 C ATOM 1811 CG TRP A 116 -8.233 -12.524 -5.249 1.00 0.00 C ATOM 1812 CD1 TRP A 116 -8.644 -11.548 -6.094 1.00 0.00 C ATOM 1813 CD2 TRP A 116 -7.481 -13.465 -6.077 1.00 0.00 C ATOM 1814 NE1 TRP A 116 -8.204 -11.822 -7.373 1.00 0.00 N ATOM 1815 CE2 TRP A 116 -7.475 -12.988 -7.420 1.00 0.00 C ATOM 1816 CE3 TRP A 116 -6.776 -14.661 -5.829 1.00 0.00 C ATOM 1817 CZ2 TRP A 116 -6.814 -13.662 -8.455 1.00 0.00 C ATOM 1818 CZ3 TRP A 116 -6.121 -15.355 -6.862 1.00 0.00 C ATOM 1819 CH2 TRP A 116 -6.135 -14.857 -8.176 1.00 0.00 C ATOM 0 H TRP A 116 -8.487 -11.954 -1.334 1.00 0.00 H new ATOM 0 HA TRP A 116 -6.576 -13.232 -2.986 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -8.877 -13.510 -3.485 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -9.176 -11.783 -3.500 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -9.228 -10.685 -5.809 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -8.396 -11.233 -8.183 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -6.738 -15.053 -4.823 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -6.827 -13.265 -9.459 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -5.603 -16.277 -6.644 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -5.627 -15.391 -8.965 1.00 0.00 H new ATOM 1830 N LEU A 117 -6.827 -9.916 -3.258 1.00 0.00 N ATOM 1831 CA LEU A 117 -6.152 -8.711 -3.731 1.00 0.00 C ATOM 1832 C LEU A 117 -4.760 -8.623 -3.097 1.00 0.00 C ATOM 1833 O LEU A 117 -3.773 -8.363 -3.794 1.00 0.00 O ATOM 1834 CB LEU A 117 -6.994 -7.469 -3.389 1.00 0.00 C ATOM 1835 CG LEU A 117 -8.349 -7.414 -4.126 1.00 0.00 C ATOM 1836 CD1 LEU A 117 -9.314 -6.485 -3.385 1.00 0.00 C ATOM 1837 CD2 LEU A 117 -8.181 -6.948 -5.575 1.00 0.00 C ATOM 0 H LEU A 117 -7.681 -9.731 -2.732 1.00 0.00 H new ATOM 0 HA LEU A 117 -6.038 -8.755 -4.814 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -7.174 -7.448 -2.314 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -6.421 -6.574 -3.633 1.00 0.00 H new ATOM 0 HG LEU A 117 -8.761 -8.423 -4.144 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -10.267 -6.454 -3.914 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -9.473 -6.857 -2.373 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -8.891 -5.482 -3.340 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -9.155 -6.921 -6.064 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -7.741 -5.951 -5.588 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -7.527 -7.640 -6.106 1.00 0.00 H new ATOM 1849 N TYR A 118 -4.668 -8.891 -1.788 1.00 0.00 N ATOM 1850 CA TYR A 118 -3.396 -8.938 -1.090 1.00 0.00 C ATOM 1851 C TYR A 118 -2.512 -10.001 -1.729 1.00 0.00 C ATOM 1852 O TYR A 118 -1.429 -9.654 -2.169 1.00 0.00 O ATOM 1853 CB TYR A 118 -3.568 -9.176 0.418 1.00 0.00 C ATOM 1854 CG TYR A 118 -4.415 -8.173 1.193 1.00 0.00 C ATOM 1855 CD1 TYR A 118 -4.551 -6.831 0.775 1.00 0.00 C ATOM 1856 CD2 TYR A 118 -5.070 -8.597 2.366 1.00 0.00 C ATOM 1857 CE1 TYR A 118 -5.342 -5.931 1.511 1.00 0.00 C ATOM 1858 CE2 TYR A 118 -5.877 -7.709 3.096 1.00 0.00 C ATOM 1859 CZ TYR A 118 -6.015 -6.369 2.675 1.00 0.00 C ATOM 1860 OH TYR A 118 -6.793 -5.513 3.397 1.00 0.00 O ATOM 0 H TYR A 118 -5.475 -9.079 -1.193 1.00 0.00 H new ATOM 0 HA TYR A 118 -2.913 -7.966 -1.186 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -4.006 -10.165 0.555 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -2.577 -9.201 0.871 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -4.044 -6.493 -0.117 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -4.950 -9.615 2.707 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -5.436 -4.905 1.187 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -6.393 -8.052 3.981 1.00 0.00 H new ATOM 0 HH TYR A 118 -7.178 -5.988 4.163 1.00 0.00 H new ATOM 1870 N TRP A 119 -2.966 -11.248 -1.869 1.00 0.00 N ATOM 1871 CA TRP A 119 -2.219 -12.352 -2.471 1.00 0.00 C ATOM 1872 C TRP A 119 -1.599 -11.970 -3.813 1.00 0.00 C ATOM 1873 O TRP A 119 -0.441 -12.311 -4.066 1.00 0.00 O ATOM 1874 CB TRP A 119 -3.146 -13.568 -2.628 1.00 0.00 C ATOM 1875 CG TRP A 119 -2.826 -14.523 -3.736 1.00 0.00 C ATOM 1876 CD1 TRP A 119 -3.349 -14.455 -4.980 1.00 0.00 C ATOM 1877 CD2 TRP A 119 -1.976 -15.710 -3.728 1.00 0.00 C ATOM 1878 NE1 TRP A 119 -2.895 -15.510 -5.737 1.00 0.00 N ATOM 1879 CE2 TRP A 119 -2.071 -16.339 -5.006 1.00 0.00 C ATOM 1880 CE3 TRP A 119 -1.182 -16.351 -2.752 1.00 0.00 C ATOM 1881 CZ2 TRP A 119 -1.426 -17.551 -5.291 1.00 0.00 C ATOM 1882 CZ3 TRP A 119 -0.546 -17.577 -3.023 1.00 0.00 C ATOM 1883 CH2 TRP A 119 -0.680 -18.184 -4.283 1.00 0.00 C ATOM 0 H TRP A 119 -3.896 -11.526 -1.555 1.00 0.00 H new ATOM 0 HA TRP A 119 -1.392 -12.602 -1.806 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -3.141 -14.123 -1.690 1.00 0.00 H new ATOM 0 HB3 TRP A 119 -4.162 -13.203 -2.777 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -4.023 -13.687 -5.328 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -3.138 -15.660 -6.716 1.00 0.00 H new ATOM 0 HE3 TRP A 119 -1.061 -15.893 -1.781 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -1.502 -17.993 -6.274 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 0.049 -18.054 -2.258 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -0.210 -19.137 -4.476 1.00 0.00 H new ATOM 1894 N LEU A 120 -2.341 -11.249 -4.660 1.00 0.00 N ATOM 1895 CA LEU A 120 -1.852 -10.868 -5.974 1.00 0.00 C ATOM 1896 C LEU A 120 -0.609 -10.015 -5.812 1.00 0.00 C ATOM 1897 O LEU A 120 0.427 -10.292 -6.418 1.00 0.00 O ATOM 1898 CB LEU A 120 -2.900 -10.049 -6.735 1.00 0.00 C ATOM 1899 CG LEU A 120 -4.047 -10.872 -7.325 1.00 0.00 C ATOM 1900 CD1 LEU A 120 -5.066 -9.886 -7.889 1.00 0.00 C ATOM 1901 CD2 LEU A 120 -3.536 -11.799 -8.428 1.00 0.00 C ATOM 0 H LEU A 120 -3.284 -10.921 -4.451 1.00 0.00 H new ATOM 0 HA LEU A 120 -1.633 -11.777 -6.534 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -3.317 -9.301 -6.061 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -2.404 -9.510 -7.542 1.00 0.00 H new ATOM 0 HG LEU A 120 -4.500 -11.500 -6.558 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -5.903 -10.435 -8.321 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -5.429 -9.241 -7.089 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -4.595 -9.277 -8.661 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -4.368 -12.375 -8.834 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -3.084 -11.205 -9.222 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -2.791 -12.479 -8.015 1.00 0.00 H new ATOM 1913 N ALA A 121 -0.722 -8.985 -4.973 1.00 0.00 N ATOM 1914 CA ALA A 121 0.357 -8.041 -4.771 1.00 0.00 C ATOM 1915 C ALA A 121 1.522 -8.677 -3.992 1.00 0.00 C ATOM 1916 O ALA A 121 2.692 -8.419 -4.275 1.00 0.00 O ATOM 1917 CB ALA A 121 -0.223 -6.843 -4.019 1.00 0.00 C ATOM 0 H ALA A 121 -1.559 -8.790 -4.423 1.00 0.00 H new ATOM 0 HA ALA A 121 0.768 -7.726 -5.730 1.00 0.00 H new ATOM 0 HB1 ALA A 121 0.562 -6.107 -3.847 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -1.020 -6.393 -4.611 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -0.626 -7.174 -3.062 1.00 0.00 H new