USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 690 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 88 LYS NZ :NH3+ -144:sc= 1.21 (180deg=0.298) USER MOD Set 1.2: A 93 TYR OH : rot 30:sc=-0.000539 USER MOD Set 2.1: A 68 MET CE :methyl -171:sc= 0 (180deg=-0.103) USER MOD Set 2.2: A 74 CYS SG : rot 77:sc= 0.328 USER MOD Set 3.1: A 47 LYS NZ :NH3+ 156:sc= 1.07 (180deg=0) USER MOD Set 3.2: A 62 THR OG1 : rot 180:sc= 0.915 USER MOD Single : A 25 LYS NZ :NH3+ 159:sc= 2.01 (180deg=0.98) USER MOD Single : A 30 MET CE :methyl -118:sc= -0.594 (180deg=-2.95!) 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 -20:sc= 0.416 USER MOD Single : A 39 THR OG1 : rot 66:sc= 1.3 USER MOD Single : A 45 MET CE :methyl -153:sc= -0.036 (180deg=-0.559) USER MOD Single : A 49 LYS NZ :NH3+ -145:sc= 2.43 (180deg=1.08) USER MOD Single : A 50 LYS NZ :NH3+ -177:sc= 0.0284 (180deg=0.0273) USER MOD Single : A 61 LYS NZ :NH3+ 174:sc= 1.02 (180deg=0.934) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl -164:sc= -0.0221 (180deg=-0.407) USER MOD Single : A 79 TYR OH : rot 120:sc= -0.333 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 145:sc= 0.685 USER MOD Single : A 109 THR OG1 : rot -32:sc= 0.545 USER MOD Single : A 110 GLN : amide:sc= -0.255 X(o=-0.25,f=-0.25) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 346 N ALA A 22 -5.524 -29.837 -3.645 1.00 0.00 N ATOM 347 CA ALA A 22 -5.055 -29.628 -5.007 1.00 0.00 C ATOM 348 C ALA A 22 -3.535 -29.473 -5.043 1.00 0.00 C ATOM 349 O ALA A 22 -2.921 -29.031 -4.071 1.00 0.00 O ATOM 350 CB ALA A 22 -5.738 -28.368 -5.545 1.00 0.00 C ATOM 0 HA ALA A 22 -5.305 -30.490 -5.626 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.407 -28.183 -6.567 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.819 -28.507 -5.533 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.475 -27.516 -4.918 1.00 0.00 H new ATOM 356 N GLU A 23 -2.930 -29.772 -6.195 1.00 0.00 N ATOM 357 CA GLU A 23 -1.474 -29.804 -6.373 1.00 0.00 C ATOM 358 C GLU A 23 -1.028 -29.233 -7.732 1.00 0.00 C ATOM 359 O GLU A 23 0.168 -29.208 -8.026 1.00 0.00 O ATOM 360 CB GLU A 23 -0.968 -31.243 -6.149 1.00 0.00 C ATOM 361 CG GLU A 23 -1.481 -32.254 -7.188 1.00 0.00 C ATOM 362 CD GLU A 23 -0.943 -33.668 -6.905 1.00 0.00 C ATOM 363 OE1 GLU A 23 0.145 -34.026 -7.412 1.00 0.00 O ATOM 364 OE2 GLU A 23 -1.610 -34.449 -6.188 1.00 0.00 O ATOM 0 H GLU A 23 -3.445 -30.003 -7.045 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.021 -29.150 -5.628 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.122 -31.241 -6.166 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.271 -31.573 -5.155 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.571 -32.268 -7.177 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.176 -31.939 -8.186 1.00 0.00 H new ATOM 371 N ASP A 24 -1.965 -28.748 -8.553 1.00 0.00 N ATOM 372 CA ASP A 24 -1.710 -28.156 -9.870 1.00 0.00 C ATOM 373 C ASP A 24 -2.424 -26.811 -9.923 1.00 0.00 C ATOM 374 O ASP A 24 -3.495 -26.677 -9.335 1.00 0.00 O ATOM 375 CB ASP A 24 -2.252 -29.080 -10.971 1.00 0.00 C ATOM 376 CG ASP A 24 -2.101 -28.443 -12.359 1.00 0.00 C ATOM 377 OD1 ASP A 24 -2.976 -27.649 -12.770 1.00 0.00 O ATOM 378 OD2 ASP A 24 -1.085 -28.703 -13.039 1.00 0.00 O ATOM 0 H ASP A 24 -2.956 -28.757 -8.311 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.640 -28.024 -10.028 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.720 -30.031 -10.945 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.303 -29.298 -10.781 1.00 0.00 H new ATOM 383 N LYS A 25 -1.853 -25.818 -10.612 1.00 0.00 N ATOM 384 CA LYS A 25 -2.395 -24.460 -10.671 1.00 0.00 C ATOM 385 C LYS A 25 -3.884 -24.392 -11.041 1.00 0.00 C ATOM 386 O LYS A 25 -4.585 -23.544 -10.493 1.00 0.00 O ATOM 387 CB LYS A 25 -1.529 -23.543 -11.566 1.00 0.00 C ATOM 388 CG LYS A 25 -1.662 -23.694 -13.096 1.00 0.00 C ATOM 389 CD LYS A 25 -1.008 -24.953 -13.691 1.00 0.00 C ATOM 390 CE LYS A 25 -1.608 -25.269 -15.069 1.00 0.00 C ATOM 391 NZ LYS A 25 -1.948 -26.704 -15.214 1.00 0.00 N ATOM 0 H LYS A 25 -0.994 -25.937 -11.149 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.344 -24.079 -9.651 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.762 -22.509 -11.310 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.484 -23.709 -11.303 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -2.721 -23.698 -13.354 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.222 -22.817 -13.571 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.068 -24.803 -13.782 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.157 -25.799 -13.020 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.504 -24.668 -15.220 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.899 -24.985 -15.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.650 -26.819 -15.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.090 -27.242 -15.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.343 -27.059 -14.320 1.00 0.00 H new ATOM 405 N GLU A 26 -4.389 -25.260 -11.924 1.00 0.00 N ATOM 406 CA GLU A 26 -5.799 -25.223 -12.318 1.00 0.00 C ATOM 407 C GLU A 26 -6.656 -25.736 -11.161 1.00 0.00 C ATOM 408 O GLU A 26 -7.661 -25.125 -10.798 1.00 0.00 O ATOM 409 CB GLU A 26 -6.031 -26.072 -13.581 1.00 0.00 C ATOM 410 CG GLU A 26 -5.483 -25.388 -14.841 1.00 0.00 C ATOM 411 CD GLU A 26 -5.491 -26.327 -16.060 1.00 0.00 C ATOM 412 OE1 GLU A 26 -6.574 -26.592 -16.630 1.00 0.00 O ATOM 413 OE2 GLU A 26 -4.401 -26.787 -16.473 1.00 0.00 O ATOM 0 H GLU A 26 -3.844 -25.993 -12.377 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.082 -24.196 -12.549 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.552 -27.043 -13.458 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.098 -26.256 -13.703 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.080 -24.503 -15.062 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.465 -25.046 -14.654 1.00 0.00 H new ATOM 420 N GLU A 27 -6.229 -26.829 -10.529 1.00 0.00 N ATOM 421 CA GLU A 27 -6.925 -27.417 -9.392 1.00 0.00 C ATOM 422 C GLU A 27 -6.865 -26.464 -8.191 1.00 0.00 C ATOM 423 O GLU A 27 -7.823 -26.356 -7.429 1.00 0.00 O ATOM 424 CB GLU A 27 -6.307 -28.786 -9.058 1.00 0.00 C ATOM 425 CG GLU A 27 -6.380 -29.801 -10.210 1.00 0.00 C ATOM 426 CD GLU A 27 -7.828 -30.169 -10.584 1.00 0.00 C ATOM 427 OE1 GLU A 27 -8.469 -30.954 -9.850 1.00 0.00 O ATOM 428 OE2 GLU A 27 -8.333 -29.700 -11.629 1.00 0.00 O ATOM 0 H GLU A 27 -5.383 -27.333 -10.796 1.00 0.00 H new ATOM 0 HA GLU A 27 -7.974 -27.571 -9.643 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.263 -28.644 -8.778 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.817 -29.201 -8.188 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.876 -29.389 -11.085 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.841 -30.705 -9.928 1.00 0.00 H new ATOM 435 N ARG A 28 -5.765 -25.725 -8.023 1.00 0.00 N ATOM 436 CA ARG A 28 -5.627 -24.745 -6.949 1.00 0.00 C ATOM 437 C ARG A 28 -6.472 -23.508 -7.219 1.00 0.00 C ATOM 438 O ARG A 28 -7.003 -22.946 -6.261 1.00 0.00 O ATOM 439 CB ARG A 28 -4.142 -24.419 -6.705 1.00 0.00 C ATOM 440 CG ARG A 28 -3.472 -25.642 -6.057 1.00 0.00 C ATOM 441 CD ARG A 28 -2.061 -25.406 -5.521 1.00 0.00 C ATOM 442 NE ARG A 28 -1.739 -26.469 -4.553 1.00 0.00 N ATOM 443 CZ ARG A 28 -1.007 -26.347 -3.444 1.00 0.00 C ATOM 444 NH1 ARG A 28 -0.183 -25.322 -3.267 1.00 0.00 N ATOM 445 NH2 ARG A 28 -1.136 -27.271 -2.506 1.00 0.00 N ATOM 0 H ARG A 28 -4.947 -25.791 -8.629 1.00 0.00 H new ATOM 0 HA ARG A 28 -6.012 -25.178 -6.026 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.649 -24.172 -7.645 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.047 -23.548 -6.057 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.101 -25.988 -5.237 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -3.434 -26.447 -6.791 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -1.341 -25.409 -6.339 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -1.997 -24.428 -5.044 1.00 0.00 H new ATOM 0 HE ARG A 28 -2.115 -27.396 -4.752 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -0.099 -24.605 -3.988 1.00 0.00 H new ATOM 0 HH12 ARG A 28 0.366 -25.251 -2.410 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -1.781 -28.049 -2.642 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -0.590 -27.205 -1.647 1.00 0.00 H new ATOM 459 N ALA A 29 -6.684 -23.124 -8.481 1.00 0.00 N ATOM 460 CA ALA A 29 -7.656 -22.090 -8.807 1.00 0.00 C ATOM 461 C ALA A 29 -9.057 -22.563 -8.403 1.00 0.00 C ATOM 462 O ALA A 29 -9.838 -21.771 -7.878 1.00 0.00 O ATOM 463 CB ALA A 29 -7.594 -21.728 -10.295 1.00 0.00 C ATOM 0 H ALA A 29 -6.195 -23.515 -9.287 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.418 -21.185 -8.248 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -8.330 -20.954 -10.512 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.597 -21.360 -10.539 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -7.811 -22.613 -10.894 1.00 0.00 H new ATOM 469 N MET A 30 -9.370 -23.854 -8.575 1.00 0.00 N ATOM 470 CA MET A 30 -10.619 -24.417 -8.072 1.00 0.00 C ATOM 471 C MET A 30 -10.663 -24.423 -6.544 1.00 0.00 C ATOM 472 O MET A 30 -11.710 -24.109 -5.994 1.00 0.00 O ATOM 473 CB MET A 30 -10.901 -25.807 -8.653 1.00 0.00 C ATOM 474 CG MET A 30 -11.049 -25.805 -10.178 1.00 0.00 C ATOM 475 SD MET A 30 -12.542 -25.009 -10.849 1.00 0.00 S ATOM 476 CE MET A 30 -12.064 -23.258 -10.928 1.00 0.00 C ATOM 0 H MET A 30 -8.772 -24.524 -9.059 1.00 0.00 H new ATOM 0 HA MET A 30 -11.420 -23.763 -8.416 1.00 0.00 H new ATOM 0 HB2 MET A 30 -10.091 -26.481 -8.374 1.00 0.00 H new ATOM 0 HB3 MET A 30 -11.813 -26.202 -8.206 1.00 0.00 H new ATOM 0 HG2 MET A 30 -10.177 -25.309 -10.605 1.00 0.00 H new ATOM 0 HG3 MET A 30 -11.029 -26.838 -10.524 1.00 0.00 H new ATOM 0 HE1 MET A 30 -12.716 -22.673 -10.279 1.00 0.00 H new ATOM 0 HE2 MET A 30 -11.031 -23.148 -10.599 1.00 0.00 H new ATOM 0 HE3 MET A 30 -12.158 -22.901 -11.954 1.00 0.00 H new ATOM 486 N GLY A 31 -9.559 -24.695 -5.845 1.00 0.00 N ATOM 487 CA GLY A 31 -9.497 -24.583 -4.385 1.00 0.00 C ATOM 488 C GLY A 31 -9.907 -23.182 -3.914 1.00 0.00 C ATOM 489 O GLY A 31 -10.839 -23.032 -3.110 1.00 0.00 O ATOM 0 H GLY A 31 -8.684 -24.998 -6.273 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -10.153 -25.327 -3.933 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -8.485 -24.802 -4.044 1.00 0.00 H new ATOM 493 N TRP A 32 -9.261 -22.156 -4.485 1.00 0.00 N ATOM 494 CA TRP A 32 -9.612 -20.762 -4.265 1.00 0.00 C ATOM 495 C TRP A 32 -11.091 -20.516 -4.578 1.00 0.00 C ATOM 496 O TRP A 32 -11.794 -19.937 -3.753 1.00 0.00 O ATOM 497 CB TRP A 32 -8.707 -19.841 -5.100 1.00 0.00 C ATOM 498 CG TRP A 32 -7.387 -19.521 -4.468 1.00 0.00 C ATOM 499 CD1 TRP A 32 -6.201 -20.121 -4.712 1.00 0.00 C ATOM 500 CD2 TRP A 32 -7.112 -18.514 -3.452 1.00 0.00 C ATOM 501 NE1 TRP A 32 -5.225 -19.579 -3.900 1.00 0.00 N ATOM 502 CE2 TRP A 32 -5.746 -18.620 -3.056 1.00 0.00 C ATOM 503 CE3 TRP A 32 -7.892 -17.527 -2.816 1.00 0.00 C ATOM 504 CZ2 TRP A 32 -5.207 -17.835 -2.025 1.00 0.00 C ATOM 505 CZ3 TRP A 32 -7.354 -16.713 -1.804 1.00 0.00 C ATOM 506 CH2 TRP A 32 -6.022 -16.876 -1.399 1.00 0.00 C ATOM 0 H TRP A 32 -8.472 -22.281 -5.119 1.00 0.00 H new ATOM 0 HA TRP A 32 -9.453 -20.529 -3.212 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -8.527 -20.310 -6.067 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -9.238 -18.909 -5.292 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -6.041 -20.907 -5.435 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -4.243 -19.853 -3.921 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -8.922 -17.394 -3.112 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -4.180 -17.966 -1.717 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -7.970 -15.959 -1.337 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -5.621 -16.264 -0.605 1.00 0.00 H new ATOM 517 N TYR A 33 -11.578 -20.979 -5.733 1.00 0.00 N ATOM 518 CA TYR A 33 -12.973 -20.818 -6.123 1.00 0.00 C ATOM 519 C TYR A 33 -13.912 -21.428 -5.080 1.00 0.00 C ATOM 520 O TYR A 33 -14.876 -20.772 -4.696 1.00 0.00 O ATOM 521 CB TYR A 33 -13.214 -21.447 -7.503 1.00 0.00 C ATOM 522 CG TYR A 33 -14.649 -21.376 -7.988 1.00 0.00 C ATOM 523 CD1 TYR A 33 -15.591 -22.334 -7.564 1.00 0.00 C ATOM 524 CD2 TYR A 33 -15.045 -20.355 -8.868 1.00 0.00 C ATOM 525 CE1 TYR A 33 -16.930 -22.253 -7.985 1.00 0.00 C ATOM 526 CE2 TYR A 33 -16.364 -20.304 -9.345 1.00 0.00 C ATOM 527 CZ TYR A 33 -17.321 -21.242 -8.894 1.00 0.00 C ATOM 528 OH TYR A 33 -18.607 -21.161 -9.338 1.00 0.00 O ATOM 0 H TYR A 33 -11.012 -21.476 -6.421 1.00 0.00 H new ATOM 0 HA TYR A 33 -13.190 -19.751 -6.182 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -12.573 -20.950 -8.231 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -12.907 -22.492 -7.470 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -15.282 -23.137 -6.911 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -14.331 -19.606 -9.179 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -17.658 -22.960 -7.616 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -16.649 -19.546 -10.059 1.00 0.00 H new ATOM 0 HH TYR A 33 -18.693 -20.405 -9.955 1.00 0.00 H new ATOM 538 N TYR A 34 -13.655 -22.660 -4.626 1.00 0.00 N ATOM 539 CA TYR A 34 -14.594 -23.406 -3.803 1.00 0.00 C ATOM 540 C TYR A 34 -14.845 -22.681 -2.487 1.00 0.00 C ATOM 541 O TYR A 34 -16.010 -22.437 -2.159 1.00 0.00 O ATOM 542 CB TYR A 34 -14.109 -24.843 -3.534 1.00 0.00 C ATOM 543 CG TYR A 34 -14.051 -25.792 -4.724 1.00 0.00 C ATOM 544 CD1 TYR A 34 -15.094 -25.839 -5.673 1.00 0.00 C ATOM 545 CD2 TYR A 34 -12.962 -26.679 -4.851 1.00 0.00 C ATOM 546 CE1 TYR A 34 -15.031 -26.732 -6.759 1.00 0.00 C ATOM 547 CE2 TYR A 34 -12.893 -27.577 -5.930 1.00 0.00 C ATOM 548 CZ TYR A 34 -13.925 -27.603 -6.894 1.00 0.00 C ATOM 549 OH TYR A 34 -13.846 -28.475 -7.939 1.00 0.00 O ATOM 0 H TYR A 34 -12.789 -23.161 -4.823 1.00 0.00 H new ATOM 0 HA TYR A 34 -15.529 -23.472 -4.359 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -13.112 -24.787 -3.098 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -14.762 -25.285 -2.781 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -15.947 -25.185 -5.565 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -12.174 -26.668 -4.113 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -15.827 -26.752 -7.489 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.051 -28.247 -6.022 1.00 0.00 H new ATOM 0 HH TYR A 34 -13.017 -28.993 -7.871 1.00 0.00 H new ATOM 559 N TYR A 35 -13.793 -22.315 -1.737 1.00 0.00 N ATOM 560 CA TYR A 35 -14.042 -21.662 -0.453 1.00 0.00 C ATOM 561 C TYR A 35 -14.612 -20.253 -0.684 1.00 0.00 C ATOM 562 O TYR A 35 -15.484 -19.820 0.070 1.00 0.00 O ATOM 563 CB TYR A 35 -12.803 -21.656 0.460 1.00 0.00 C ATOM 564 CG TYR A 35 -12.004 -20.374 0.382 1.00 0.00 C ATOM 565 CD1 TYR A 35 -11.119 -20.185 -0.688 1.00 0.00 C ATOM 566 CD2 TYR A 35 -12.269 -19.317 1.276 1.00 0.00 C ATOM 567 CE1 TYR A 35 -10.522 -18.934 -0.891 1.00 0.00 C ATOM 568 CE2 TYR A 35 -11.673 -18.060 1.080 1.00 0.00 C ATOM 569 CZ TYR A 35 -10.807 -17.857 -0.019 1.00 0.00 C ATOM 570 OH TYR A 35 -10.271 -16.629 -0.258 1.00 0.00 O ATOM 0 H TYR A 35 -12.813 -22.452 -1.984 1.00 0.00 H new ATOM 0 HA TYR A 35 -14.788 -22.247 0.084 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -13.120 -21.815 1.491 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -12.159 -22.493 0.191 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -10.897 -21.004 -1.356 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -12.932 -19.474 2.114 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -9.841 -18.791 -1.717 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -11.876 -17.251 1.767 1.00 0.00 H new ATOM 0 HH TYR A 35 -9.490 -16.721 -0.843 1.00 0.00 H new ATOM 580 N LEU A 36 -14.148 -19.537 -1.719 1.00 0.00 N ATOM 581 CA LEU A 36 -14.561 -18.163 -1.970 1.00 0.00 C ATOM 582 C LEU A 36 -16.045 -18.121 -2.321 1.00 0.00 C ATOM 583 O LEU A 36 -16.788 -17.355 -1.714 1.00 0.00 O ATOM 584 CB LEU A 36 -13.703 -17.561 -3.093 1.00 0.00 C ATOM 585 CG LEU A 36 -14.089 -16.125 -3.490 1.00 0.00 C ATOM 586 CD1 LEU A 36 -13.955 -15.129 -2.329 1.00 0.00 C ATOM 587 CD2 LEU A 36 -13.190 -15.681 -4.647 1.00 0.00 C ATOM 0 H LEU A 36 -13.479 -19.899 -2.398 1.00 0.00 H new ATOM 0 HA LEU A 36 -14.412 -17.566 -1.071 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.659 -17.570 -2.780 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -13.778 -18.200 -3.973 1.00 0.00 H new ATOM 0 HG LEU A 36 -15.139 -16.131 -3.783 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -14.241 -14.133 -2.669 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -14.607 -15.434 -1.511 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -12.922 -15.111 -1.982 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -13.451 -14.664 -4.941 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -12.148 -15.711 -4.330 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -13.331 -16.351 -5.495 1.00 0.00 H new ATOM 599 N ASP A 37 -16.491 -18.965 -3.251 1.00 0.00 N ATOM 600 CA ASP A 37 -17.887 -19.043 -3.673 1.00 0.00 C ATOM 601 C ASP A 37 -18.794 -19.407 -2.496 1.00 0.00 C ATOM 602 O ASP A 37 -19.881 -18.849 -2.356 1.00 0.00 O ATOM 603 CB ASP A 37 -18.043 -20.084 -4.785 1.00 0.00 C ATOM 604 CG ASP A 37 -19.510 -20.192 -5.226 1.00 0.00 C ATOM 605 OD1 ASP A 37 -19.991 -19.282 -5.936 1.00 0.00 O ATOM 606 OD2 ASP A 37 -20.174 -21.199 -4.890 1.00 0.00 O ATOM 0 H ASP A 37 -15.883 -19.623 -3.739 1.00 0.00 H new ATOM 0 HA ASP A 37 -18.183 -18.064 -4.049 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -17.421 -19.809 -5.637 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -17.691 -21.054 -4.434 1.00 0.00 H new ATOM 611 N ASP A 38 -18.325 -20.302 -1.621 1.00 0.00 N ATOM 612 CA ASP A 38 -19.035 -20.677 -0.397 1.00 0.00 C ATOM 613 C ASP A 38 -19.088 -19.539 0.639 1.00 0.00 C ATOM 614 O ASP A 38 -20.010 -19.504 1.456 1.00 0.00 O ATOM 615 CB ASP A 38 -18.378 -21.917 0.222 1.00 0.00 C ATOM 616 CG ASP A 38 -19.110 -22.371 1.496 1.00 0.00 C ATOM 617 OD1 ASP A 38 -20.249 -22.881 1.395 1.00 0.00 O ATOM 618 OD2 ASP A 38 -18.533 -22.272 2.603 1.00 0.00 O ATOM 0 H ASP A 38 -17.437 -20.789 -1.744 1.00 0.00 H new ATOM 0 HA ASP A 38 -20.065 -20.896 -0.679 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -18.375 -22.729 -0.505 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -17.337 -21.698 0.459 1.00 0.00 H new ATOM 623 N THR A 39 -18.139 -18.598 0.607 1.00 0.00 N ATOM 624 CA THR A 39 -18.020 -17.539 1.611 1.00 0.00 C ATOM 625 C THR A 39 -18.712 -16.246 1.161 1.00 0.00 C ATOM 626 O THR A 39 -19.302 -15.560 1.996 1.00 0.00 O ATOM 627 CB THR A 39 -16.533 -17.296 1.930 1.00 0.00 C ATOM 628 OG1 THR A 39 -15.918 -18.498 2.350 1.00 0.00 O ATOM 629 CG2 THR A 39 -16.349 -16.254 3.040 1.00 0.00 C ATOM 0 H THR A 39 -17.427 -18.551 -0.122 1.00 0.00 H new ATOM 0 HA THR A 39 -18.529 -17.865 2.518 1.00 0.00 H new ATOM 0 HB THR A 39 -16.071 -16.927 1.014 1.00 0.00 H new ATOM 0 HG1 THR A 39 -15.909 -19.138 1.608 1.00 0.00 H new ATOM 0 HG21 THR A 39 -15.286 -16.113 3.234 1.00 0.00 H new ATOM 0 HG22 THR A 39 -16.790 -15.307 2.727 1.00 0.00 H new ATOM 0 HG23 THR A 39 -16.841 -16.600 3.949 1.00 0.00 H new ATOM 637 N LEU A 40 -18.658 -15.908 -0.133 1.00 0.00 N ATOM 638 CA LEU A 40 -19.330 -14.734 -0.680 1.00 0.00 C ATOM 639 C LEU A 40 -20.834 -14.895 -0.452 1.00 0.00 C ATOM 640 O LEU A 40 -21.443 -15.810 -1.008 1.00 0.00 O ATOM 641 CB LEU A 40 -19.051 -14.584 -2.190 1.00 0.00 C ATOM 642 CG LEU A 40 -17.616 -14.189 -2.588 1.00 0.00 C ATOM 643 CD1 LEU A 40 -17.469 -14.281 -4.111 1.00 0.00 C ATOM 644 CD2 LEU A 40 -17.212 -12.790 -2.127 1.00 0.00 C ATOM 0 H LEU A 40 -18.143 -16.447 -0.829 1.00 0.00 H new ATOM 0 HA LEU A 40 -18.954 -13.841 -0.180 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -19.292 -15.529 -2.677 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -19.734 -13.835 -2.591 1.00 0.00 H new ATOM 0 HG LEU A 40 -16.950 -14.888 -2.082 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -16.455 -14.002 -4.396 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -17.669 -15.302 -4.435 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -18.179 -13.604 -4.587 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -16.190 -12.584 -2.444 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -17.884 -12.054 -2.567 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -17.273 -12.733 -1.040 1.00 0.00 H new ATOM 656 N GLU A 41 -21.461 -13.999 0.310 1.00 0.00 N ATOM 657 CA GLU A 41 -22.911 -13.976 0.505 1.00 0.00 C ATOM 658 C GLU A 41 -23.564 -13.215 -0.662 1.00 0.00 C ATOM 659 O GLU A 41 -24.293 -12.239 -0.470 1.00 0.00 O ATOM 660 CB GLU A 41 -23.276 -13.422 1.895 1.00 0.00 C ATOM 661 CG GLU A 41 -22.733 -14.310 3.028 1.00 0.00 C ATOM 662 CD GLU A 41 -23.514 -14.121 4.343 1.00 0.00 C ATOM 663 OE1 GLU A 41 -23.530 -13.006 4.907 1.00 0.00 O ATOM 664 OE2 GLU A 41 -24.121 -15.102 4.833 1.00 0.00 O ATOM 0 H GLU A 41 -20.971 -13.260 0.815 1.00 0.00 H new ATOM 0 HA GLU A 41 -23.310 -14.990 0.492 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -22.875 -12.414 2.000 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -24.360 -13.345 1.982 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -22.785 -15.355 2.724 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -21.681 -14.079 3.196 1.00 0.00 H new ATOM 671 N PHE A 42 -23.224 -13.618 -1.890 1.00 0.00 N ATOM 672 CA PHE A 42 -23.701 -13.007 -3.126 1.00 0.00 C ATOM 673 C PHE A 42 -25.236 -13.117 -3.264 1.00 0.00 C ATOM 674 O PHE A 42 -25.831 -14.027 -2.675 1.00 0.00 O ATOM 675 CB PHE A 42 -22.954 -13.629 -4.323 1.00 0.00 C ATOM 676 CG PHE A 42 -23.252 -15.093 -4.604 1.00 0.00 C ATOM 677 CD1 PHE A 42 -24.403 -15.458 -5.331 1.00 0.00 C ATOM 678 CD2 PHE A 42 -22.366 -16.097 -4.165 1.00 0.00 C ATOM 679 CE1 PHE A 42 -24.675 -16.811 -5.599 1.00 0.00 C ATOM 680 CE2 PHE A 42 -22.640 -17.449 -4.430 1.00 0.00 C ATOM 681 CZ PHE A 42 -23.795 -17.809 -5.146 1.00 0.00 C ATOM 0 H PHE A 42 -22.591 -14.401 -2.052 1.00 0.00 H new ATOM 0 HA PHE A 42 -23.483 -11.939 -3.104 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -23.194 -13.052 -5.216 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -21.883 -13.523 -4.153 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -25.080 -14.694 -5.684 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -21.472 -15.826 -3.622 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -25.561 -17.084 -6.153 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -21.961 -18.214 -4.083 1.00 0.00 H new ATOM 0 HZ PHE A 42 -24.005 -18.849 -5.347 1.00 0.00 H new ATOM 691 N PRO A 43 -25.894 -12.258 -4.071 1.00 0.00 N ATOM 692 CA PRO A 43 -25.332 -11.092 -4.755 1.00 0.00 C ATOM 693 C PRO A 43 -24.950 -9.983 -3.763 1.00 0.00 C ATOM 694 O PRO A 43 -25.483 -9.910 -2.654 1.00 0.00 O ATOM 695 CB PRO A 43 -26.422 -10.627 -5.726 1.00 0.00 C ATOM 696 CG PRO A 43 -27.716 -11.044 -5.032 1.00 0.00 C ATOM 697 CD PRO A 43 -27.324 -12.347 -4.334 1.00 0.00 C ATOM 0 HA PRO A 43 -24.409 -11.342 -5.278 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -26.382 -9.550 -5.889 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -26.319 -11.101 -6.702 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -28.054 -10.290 -4.321 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -28.526 -11.195 -5.745 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -27.882 -12.474 -3.407 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -27.550 -13.208 -4.963 1.00 0.00 H new ATOM 705 N PHE A 44 -24.027 -9.117 -4.178 1.00 0.00 N ATOM 706 CA PHE A 44 -23.554 -7.964 -3.416 1.00 0.00 C ATOM 707 C PHE A 44 -23.292 -6.807 -4.385 1.00 0.00 C ATOM 708 O PHE A 44 -23.670 -6.899 -5.552 1.00 0.00 O ATOM 709 CB PHE A 44 -22.331 -8.349 -2.562 1.00 0.00 C ATOM 710 CG PHE A 44 -21.065 -8.799 -3.284 1.00 0.00 C ATOM 711 CD1 PHE A 44 -20.913 -10.137 -3.697 1.00 0.00 C ATOM 712 CD2 PHE A 44 -19.987 -7.908 -3.453 1.00 0.00 C ATOM 713 CE1 PHE A 44 -19.705 -10.579 -4.264 1.00 0.00 C ATOM 714 CE2 PHE A 44 -18.778 -8.345 -4.021 1.00 0.00 C ATOM 715 CZ PHE A 44 -18.632 -9.684 -4.420 1.00 0.00 C ATOM 0 H PHE A 44 -23.572 -9.203 -5.087 1.00 0.00 H new ATOM 0 HA PHE A 44 -24.311 -7.629 -2.707 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -22.074 -7.491 -1.941 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -22.634 -9.150 -1.888 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -21.733 -10.830 -3.577 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -20.091 -6.879 -3.143 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -19.601 -11.607 -4.580 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -17.961 -7.651 -4.151 1.00 0.00 H new ATOM 0 HZ PHE A 44 -17.699 -10.025 -4.845 1.00 0.00 H new ATOM 725 N MET A 45 -22.671 -5.710 -3.943 1.00 0.00 N ATOM 726 CA MET A 45 -22.360 -4.585 -4.820 1.00 0.00 C ATOM 727 C MET A 45 -20.917 -4.128 -4.649 1.00 0.00 C ATOM 728 O MET A 45 -20.212 -4.555 -3.734 1.00 0.00 O ATOM 729 CB MET A 45 -23.390 -3.455 -4.644 1.00 0.00 C ATOM 730 CG MET A 45 -23.182 -2.561 -3.412 1.00 0.00 C ATOM 731 SD MET A 45 -23.604 -0.814 -3.671 1.00 0.00 S ATOM 732 CE MET A 45 -22.313 -0.315 -4.855 1.00 0.00 C ATOM 0 H MET A 45 -22.373 -5.580 -2.976 1.00 0.00 H new ATOM 0 HA MET A 45 -22.441 -4.915 -5.856 1.00 0.00 H new ATOM 0 HB2 MET A 45 -23.371 -2.827 -5.535 1.00 0.00 H new ATOM 0 HB3 MET A 45 -24.384 -3.898 -4.587 1.00 0.00 H new ATOM 0 HG2 MET A 45 -23.784 -2.949 -2.591 1.00 0.00 H new ATOM 0 HG3 MET A 45 -22.139 -2.628 -3.102 1.00 0.00 H new ATOM 0 HE1 MET A 45 -22.120 0.753 -4.754 1.00 0.00 H new ATOM 0 HE2 MET A 45 -21.398 -0.870 -4.651 1.00 0.00 H new ATOM 0 HE3 MET A 45 -22.648 -0.529 -5.870 1.00 0.00 H new ATOM 742 N GLY A 46 -20.470 -3.248 -5.535 1.00 0.00 N ATOM 743 CA GLY A 46 -19.104 -2.783 -5.517 1.00 0.00 C ATOM 744 C GLY A 46 -18.882 -1.602 -6.433 1.00 0.00 C ATOM 745 O GLY A 46 -19.798 -1.097 -7.087 1.00 0.00 O ATOM 0 H GLY A 46 -21.043 -2.844 -6.276 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -18.832 -2.505 -4.499 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -18.443 -3.597 -5.813 1.00 0.00 H new ATOM 749 N LYS A 47 -17.624 -1.191 -6.477 1.00 0.00 N ATOM 750 CA LYS A 47 -17.109 -0.225 -7.426 1.00 0.00 C ATOM 751 C LYS A 47 -16.034 -0.944 -8.228 1.00 0.00 C ATOM 752 O LYS A 47 -15.053 -1.421 -7.655 1.00 0.00 O ATOM 753 CB LYS A 47 -16.558 0.998 -6.670 1.00 0.00 C ATOM 754 CG LYS A 47 -16.411 2.226 -7.577 1.00 0.00 C ATOM 755 CD LYS A 47 -17.742 2.960 -7.802 1.00 0.00 C ATOM 756 CE LYS A 47 -18.183 3.780 -6.581 1.00 0.00 C ATOM 757 NZ LYS A 47 -19.344 4.651 -6.896 1.00 0.00 N ATOM 0 H LYS A 47 -16.913 -1.534 -5.831 1.00 0.00 H new ATOM 0 HA LYS A 47 -17.880 0.150 -8.099 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -17.223 1.239 -5.841 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -15.588 0.749 -6.239 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -15.691 2.915 -7.135 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -16.005 1.915 -8.540 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -17.646 3.622 -8.663 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -18.517 2.232 -8.044 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -18.444 3.106 -5.765 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -17.351 4.393 -6.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -19.863 4.868 -6.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -19.007 5.536 -7.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -19.976 4.160 -7.561 1.00 0.00 H new ATOM 771 N TRP A 48 -16.215 -1.059 -9.539 1.00 0.00 N ATOM 772 CA TRP A 48 -15.157 -1.526 -10.420 1.00 0.00 C ATOM 773 C TRP A 48 -14.215 -0.337 -10.592 1.00 0.00 C ATOM 774 O TRP A 48 -14.580 0.661 -11.217 1.00 0.00 O ATOM 775 CB TRP A 48 -15.734 -2.052 -11.748 1.00 0.00 C ATOM 776 CG TRP A 48 -14.783 -2.780 -12.660 1.00 0.00 C ATOM 777 CD1 TRP A 48 -13.436 -2.816 -12.546 1.00 0.00 C ATOM 778 CD2 TRP A 48 -15.080 -3.603 -13.837 1.00 0.00 C ATOM 779 NE1 TRP A 48 -12.890 -3.592 -13.537 1.00 0.00 N ATOM 780 CE2 TRP A 48 -13.853 -4.123 -14.353 1.00 0.00 C ATOM 781 CE3 TRP A 48 -16.258 -3.968 -14.527 1.00 0.00 C ATOM 782 CZ2 TRP A 48 -13.791 -4.970 -15.467 1.00 0.00 C ATOM 783 CZ3 TRP A 48 -16.209 -4.820 -15.650 1.00 0.00 C ATOM 784 CH2 TRP A 48 -14.981 -5.324 -16.115 1.00 0.00 C ATOM 0 H TRP A 48 -17.089 -0.834 -10.014 1.00 0.00 H new ATOM 0 HA TRP A 48 -14.613 -2.376 -10.007 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -16.563 -2.721 -11.517 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -16.150 -1.207 -12.296 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -12.869 -2.305 -11.782 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -11.889 -3.754 -13.652 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -17.211 -3.589 -14.189 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -12.841 -5.344 -15.820 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -17.124 -5.088 -16.158 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -14.956 -5.983 -16.970 1.00 0.00 H new ATOM 795 N LYS A 49 -13.022 -0.428 -9.996 1.00 0.00 N ATOM 796 CA LYS A 49 -11.940 0.549 -10.126 1.00 0.00 C ATOM 797 C LYS A 49 -11.230 0.342 -11.476 1.00 0.00 C ATOM 798 O LYS A 49 -10.032 0.047 -11.505 1.00 0.00 O ATOM 799 CB LYS A 49 -10.954 0.379 -8.950 1.00 0.00 C ATOM 800 CG LYS A 49 -11.531 0.440 -7.528 1.00 0.00 C ATOM 801 CD LYS A 49 -12.237 1.758 -7.172 1.00 0.00 C ATOM 802 CE LYS A 49 -11.927 2.107 -5.708 1.00 0.00 C ATOM 803 NZ LYS A 49 -12.832 3.127 -5.135 1.00 0.00 N ATOM 0 H LYS A 49 -12.776 -1.211 -9.390 1.00 0.00 H new ATOM 0 HA LYS A 49 -12.341 1.562 -10.096 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -10.451 -0.581 -9.068 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -10.190 1.152 -9.037 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -12.239 -0.380 -7.403 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -10.722 0.274 -6.816 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -11.898 2.558 -7.830 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -13.313 1.661 -7.317 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -11.989 1.200 -5.107 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -10.900 2.465 -5.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -12.302 3.728 -4.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -13.222 3.714 -5.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -13.610 2.656 -4.629 1.00 0.00 H new ATOM 817 N LYS A 50 -11.976 0.386 -12.581 1.00 0.00 N ATOM 818 CA LYS A 50 -11.500 -0.004 -13.909 1.00 0.00 C ATOM 819 C LYS A 50 -10.359 0.914 -14.341 1.00 0.00 C ATOM 820 O LYS A 50 -10.471 2.131 -14.216 1.00 0.00 O ATOM 821 CB LYS A 50 -12.683 0.017 -14.893 1.00 0.00 C ATOM 822 CG LYS A 50 -12.265 -0.380 -16.320 1.00 0.00 C ATOM 823 CD LYS A 50 -13.452 -0.602 -17.270 1.00 0.00 C ATOM 824 CE LYS A 50 -14.249 -1.861 -16.895 1.00 0.00 C ATOM 825 NZ LYS A 50 -15.282 -2.201 -17.905 1.00 0.00 N ATOM 0 H LYS A 50 -12.947 0.700 -12.578 1.00 0.00 H new ATOM 0 HA LYS A 50 -11.101 -1.018 -13.892 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -13.457 -0.665 -14.541 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -13.121 1.015 -14.910 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -11.622 0.398 -16.731 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -11.671 -1.293 -16.275 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -14.109 0.267 -17.241 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.088 -0.693 -18.293 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -13.564 -2.701 -16.784 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -14.727 -1.710 -15.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -15.825 -3.027 -17.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -15.924 -1.392 -18.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -14.822 -2.422 -18.811 1.00 0.00 H new ATOM 976 N GLU A 59 -11.322 4.722 -13.614 1.00 0.00 N ATOM 977 CA GLU A 59 -12.747 4.973 -13.683 1.00 0.00 C ATOM 978 C GLU A 59 -13.366 4.184 -12.528 1.00 0.00 C ATOM 979 O GLU A 59 -12.855 3.130 -12.136 1.00 0.00 O ATOM 980 CB GLU A 59 -13.302 4.447 -15.017 1.00 0.00 C ATOM 981 CG GLU A 59 -12.696 5.131 -16.253 1.00 0.00 C ATOM 982 CD GLU A 59 -13.172 4.491 -17.567 1.00 0.00 C ATOM 983 OE1 GLU A 59 -13.213 3.246 -17.677 1.00 0.00 O ATOM 984 OE2 GLU A 59 -13.414 5.219 -18.556 1.00 0.00 O ATOM 0 HA GLU A 59 -12.972 6.037 -13.616 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -13.117 3.375 -15.079 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -14.383 4.585 -15.030 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -12.964 6.188 -16.248 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -11.609 5.077 -16.198 1.00 0.00 H new ATOM 991 N GLU A 60 -14.481 4.669 -11.991 1.00 0.00 N ATOM 992 CA GLU A 60 -15.108 4.105 -10.806 1.00 0.00 C ATOM 993 C GLU A 60 -16.561 3.827 -11.177 1.00 0.00 C ATOM 994 O GLU A 60 -17.419 4.709 -11.095 1.00 0.00 O ATOM 995 CB GLU A 60 -14.933 5.056 -9.610 1.00 0.00 C ATOM 996 CG GLU A 60 -13.457 5.198 -9.210 1.00 0.00 C ATOM 997 CD GLU A 60 -13.312 5.923 -7.865 1.00 0.00 C ATOM 998 OE1 GLU A 60 -13.366 5.245 -6.814 1.00 0.00 O ATOM 999 OE2 GLU A 60 -13.132 7.163 -7.847 1.00 0.00 O ATOM 0 H GLU A 60 -14.978 5.474 -12.372 1.00 0.00 H new ATOM 0 HA GLU A 60 -14.645 3.171 -10.488 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -15.338 6.036 -9.862 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -15.506 4.683 -8.761 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -12.999 4.211 -9.145 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -12.920 5.749 -9.982 1.00 0.00 H new ATOM 1006 N LYS A 61 -16.819 2.611 -11.664 1.00 0.00 N ATOM 1007 CA LYS A 61 -18.137 2.208 -12.153 1.00 0.00 C ATOM 1008 C LYS A 61 -18.852 1.480 -11.024 1.00 0.00 C ATOM 1009 O LYS A 61 -18.351 0.464 -10.545 1.00 0.00 O ATOM 1010 CB LYS A 61 -17.950 1.332 -13.402 1.00 0.00 C ATOM 1011 CG LYS A 61 -19.274 0.798 -13.969 1.00 0.00 C ATOM 1012 CD LYS A 61 -19.048 -0.029 -15.246 1.00 0.00 C ATOM 1013 CE LYS A 61 -18.785 0.826 -16.497 1.00 0.00 C ATOM 1014 NZ LYS A 61 -19.960 1.647 -16.886 1.00 0.00 N ATOM 0 H LYS A 61 -16.115 1.876 -11.730 1.00 0.00 H new ATOM 0 HA LYS A 61 -18.748 3.062 -12.444 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -17.440 1.911 -14.171 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -17.302 0.491 -13.155 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -19.770 0.182 -13.219 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -19.940 1.633 -14.188 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -18.202 -0.699 -15.090 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -19.922 -0.656 -15.422 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -17.934 1.481 -16.312 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -18.511 0.174 -17.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -19.698 2.278 -17.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -20.735 1.023 -17.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -20.270 2.216 -16.073 1.00 0.00 H new ATOM 1028 N THR A 62 -19.990 1.990 -10.564 1.00 0.00 N ATOM 1029 CA THR A 62 -20.795 1.308 -9.560 1.00 0.00 C ATOM 1030 C THR A 62 -21.435 0.071 -10.201 1.00 0.00 C ATOM 1031 O THR A 62 -21.986 0.153 -11.302 1.00 0.00 O ATOM 1032 CB THR A 62 -21.837 2.287 -8.997 1.00 0.00 C ATOM 1033 OG1 THR A 62 -21.226 3.542 -8.740 1.00 0.00 O ATOM 1034 CG2 THR A 62 -22.409 1.788 -7.672 1.00 0.00 C ATOM 0 H THR A 62 -20.377 2.881 -10.875 1.00 0.00 H new ATOM 0 HA THR A 62 -20.182 0.971 -8.724 1.00 0.00 H new ATOM 0 HB THR A 62 -22.633 2.373 -9.737 1.00 0.00 H new ATOM 0 HG1 THR A 62 -21.894 4.164 -8.383 1.00 0.00 H new ATOM 0 HG21 THR A 62 -23.143 2.503 -7.300 1.00 0.00 H new ATOM 0 HG22 THR A 62 -22.889 0.821 -7.824 1.00 0.00 H new ATOM 0 HG23 THR A 62 -21.604 1.683 -6.945 1.00 0.00 H new ATOM 1042 N VAL A 63 -21.361 -1.070 -9.516 1.00 0.00 N ATOM 1043 CA VAL A 63 -21.765 -2.358 -10.059 1.00 0.00 C ATOM 1044 C VAL A 63 -22.459 -3.217 -9.001 1.00 0.00 C ATOM 1045 O VAL A 63 -22.232 -3.047 -7.802 1.00 0.00 O ATOM 1046 CB VAL A 63 -20.545 -3.102 -10.635 1.00 0.00 C ATOM 1047 CG1 VAL A 63 -20.000 -2.470 -11.923 1.00 0.00 C ATOM 1048 CG2 VAL A 63 -19.378 -3.284 -9.648 1.00 0.00 C ATOM 0 H VAL A 63 -21.014 -1.122 -8.558 1.00 0.00 H new ATOM 0 HA VAL A 63 -22.480 -2.173 -10.861 1.00 0.00 H new ATOM 0 HB VAL A 63 -20.953 -4.088 -10.858 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -19.142 -3.043 -12.275 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -20.777 -2.474 -12.687 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -19.693 -1.443 -11.723 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -18.565 -3.817 -10.140 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -19.024 -2.307 -9.319 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -19.717 -3.857 -8.785 1.00 0.00 H new ATOM 1058 N GLU A 64 -23.272 -4.170 -9.454 1.00 0.00 N ATOM 1059 CA GLU A 64 -23.841 -5.223 -8.624 1.00 0.00 C ATOM 1060 C GLU A 64 -23.087 -6.492 -9.016 1.00 0.00 C ATOM 1061 O GLU A 64 -22.990 -6.804 -10.200 1.00 0.00 O ATOM 1062 CB GLU A 64 -25.354 -5.334 -8.864 1.00 0.00 C ATOM 1063 CG GLU A 64 -26.017 -6.376 -7.954 1.00 0.00 C ATOM 1064 CD GLU A 64 -27.539 -6.434 -8.178 1.00 0.00 C ATOM 1065 OE1 GLU A 64 -28.007 -7.217 -9.035 1.00 0.00 O ATOM 1066 OE2 GLU A 64 -28.288 -5.712 -7.480 1.00 0.00 O ATOM 0 H GLU A 64 -23.558 -4.230 -10.431 1.00 0.00 H new ATOM 0 HA GLU A 64 -23.732 -5.027 -7.557 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -25.818 -4.362 -8.696 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -25.535 -5.598 -9.906 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -25.582 -7.357 -8.146 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -25.811 -6.134 -6.911 1.00 0.00 H new ATOM 1073 N VAL A 65 -22.510 -7.195 -8.048 1.00 0.00 N ATOM 1074 CA VAL A 65 -21.719 -8.395 -8.270 1.00 0.00 C ATOM 1075 C VAL A 65 -22.662 -9.570 -8.018 1.00 0.00 C ATOM 1076 O VAL A 65 -23.136 -9.776 -6.897 1.00 0.00 O ATOM 1077 CB VAL A 65 -20.463 -8.390 -7.374 1.00 0.00 C ATOM 1078 CG1 VAL A 65 -19.525 -9.523 -7.809 1.00 0.00 C ATOM 1079 CG2 VAL A 65 -19.689 -7.060 -7.466 1.00 0.00 C ATOM 0 H VAL A 65 -22.582 -6.938 -7.064 1.00 0.00 H new ATOM 0 HA VAL A 65 -21.327 -8.462 -9.285 1.00 0.00 H new ATOM 0 HB VAL A 65 -20.797 -8.525 -6.345 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -18.636 -9.522 -7.178 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -20.039 -10.479 -7.711 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -19.232 -9.374 -8.848 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -18.813 -7.103 -6.819 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -19.371 -6.894 -8.495 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -20.334 -6.241 -7.149 1.00 0.00 H new ATOM 1089 N LEU A 66 -22.995 -10.295 -9.085 1.00 0.00 N ATOM 1090 CA LEU A 66 -24.045 -11.309 -9.070 1.00 0.00 C ATOM 1091 C LEU A 66 -23.575 -12.596 -8.393 1.00 0.00 C ATOM 1092 O LEU A 66 -24.397 -13.305 -7.816 1.00 0.00 O ATOM 1093 CB LEU A 66 -24.515 -11.608 -10.507 1.00 0.00 C ATOM 1094 CG LEU A 66 -25.630 -10.675 -11.018 1.00 0.00 C ATOM 1095 CD1 LEU A 66 -25.219 -9.199 -11.059 1.00 0.00 C ATOM 1096 CD2 LEU A 66 -26.046 -11.106 -12.428 1.00 0.00 C ATOM 0 H LEU A 66 -22.539 -10.193 -9.992 1.00 0.00 H new ATOM 0 HA LEU A 66 -24.880 -10.914 -8.492 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -23.660 -11.534 -11.179 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -24.869 -12.638 -10.554 1.00 0.00 H new ATOM 0 HG LEU A 66 -26.456 -10.762 -10.312 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -26.051 -8.600 -11.428 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -24.950 -8.868 -10.056 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -24.363 -9.078 -11.722 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -26.835 -10.448 -12.792 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -25.186 -11.046 -13.095 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -26.413 -12.132 -12.401 1.00 0.00 H new ATOM 1108 N GLY A 67 -22.280 -12.911 -8.465 1.00 0.00 N ATOM 1109 CA GLY A 67 -21.699 -14.145 -7.977 1.00 0.00 C ATOM 1110 C GLY A 67 -20.395 -14.384 -8.727 1.00 0.00 C ATOM 1111 O GLY A 67 -19.982 -13.568 -9.556 1.00 0.00 O ATOM 0 H GLY A 67 -21.590 -12.286 -8.881 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -21.515 -14.081 -6.905 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -22.386 -14.977 -8.133 1.00 0.00 H new ATOM 1115 N MET A 68 -19.742 -15.505 -8.447 1.00 0.00 N ATOM 1116 CA MET A 68 -18.582 -15.948 -9.215 1.00 0.00 C ATOM 1117 C MET A 68 -18.987 -16.238 -10.665 1.00 0.00 C ATOM 1118 O MET A 68 -20.122 -16.642 -10.937 1.00 0.00 O ATOM 1119 CB MET A 68 -17.956 -17.200 -8.585 1.00 0.00 C ATOM 1120 CG MET A 68 -17.340 -16.957 -7.200 1.00 0.00 C ATOM 1121 SD MET A 68 -15.973 -15.764 -7.138 1.00 0.00 S ATOM 1122 CE MET A 68 -14.715 -16.643 -8.104 1.00 0.00 C ATOM 0 H MET A 68 -19.999 -16.132 -7.684 1.00 0.00 H new ATOM 0 HA MET A 68 -17.841 -15.149 -9.204 1.00 0.00 H new ATOM 0 HB2 MET A 68 -18.719 -17.973 -8.502 1.00 0.00 H new ATOM 0 HB3 MET A 68 -17.185 -17.584 -9.253 1.00 0.00 H new ATOM 0 HG2 MET A 68 -18.127 -16.613 -6.529 1.00 0.00 H new ATOM 0 HG3 MET A 68 -16.983 -17.910 -6.810 1.00 0.00 H new ATOM 0 HE1 MET A 68 -13.763 -16.117 -8.026 1.00 0.00 H new ATOM 0 HE2 MET A 68 -14.602 -17.656 -7.718 1.00 0.00 H new ATOM 0 HE3 MET A 68 -15.022 -16.685 -9.149 1.00 0.00 H new ATOM 1132 N ALA A 69 -18.044 -16.050 -11.590 1.00 0.00 N ATOM 1133 CA ALA A 69 -18.172 -16.473 -12.981 1.00 0.00 C ATOM 1134 C ALA A 69 -18.193 -18.014 -13.069 1.00 0.00 C ATOM 1135 O ALA A 69 -17.912 -18.676 -12.065 1.00 0.00 O ATOM 1136 CB ALA A 69 -16.998 -15.876 -13.764 1.00 0.00 C ATOM 0 H ALA A 69 -17.156 -15.591 -11.388 1.00 0.00 H new ATOM 0 HA ALA A 69 -19.109 -16.118 -13.410 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -17.068 -16.176 -14.810 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -17.031 -14.789 -13.696 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -16.059 -16.238 -13.344 1.00 0.00 H new ATOM 1142 N PRO A 70 -18.501 -18.608 -14.239 1.00 0.00 N ATOM 1143 CA PRO A 70 -18.366 -20.044 -14.456 1.00 0.00 C ATOM 1144 C PRO A 70 -16.994 -20.569 -14.026 1.00 0.00 C ATOM 1145 O PRO A 70 -15.972 -19.892 -14.187 1.00 0.00 O ATOM 1146 CB PRO A 70 -18.615 -20.268 -15.951 1.00 0.00 C ATOM 1147 CG PRO A 70 -19.535 -19.107 -16.321 1.00 0.00 C ATOM 1148 CD PRO A 70 -19.010 -17.971 -15.446 1.00 0.00 C ATOM 0 HA PRO A 70 -19.081 -20.597 -13.847 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -17.687 -20.246 -16.523 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -19.085 -21.233 -16.142 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -19.473 -18.863 -17.382 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -20.579 -19.334 -16.107 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -18.224 -17.414 -15.956 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -19.802 -17.260 -15.210 1.00 0.00 H new ATOM 1156 N ASP A 71 -16.963 -21.808 -13.536 1.00 0.00 N ATOM 1157 CA ASP A 71 -15.731 -22.466 -13.105 1.00 0.00 C ATOM 1158 C ASP A 71 -14.713 -22.560 -14.244 1.00 0.00 C ATOM 1159 O ASP A 71 -13.514 -22.520 -13.985 1.00 0.00 O ATOM 1160 CB ASP A 71 -16.010 -23.858 -12.521 1.00 0.00 C ATOM 1161 CG ASP A 71 -16.235 -24.934 -13.600 1.00 0.00 C ATOM 1162 OD1 ASP A 71 -17.324 -24.949 -14.217 1.00 0.00 O ATOM 1163 OD2 ASP A 71 -15.348 -25.789 -13.812 1.00 0.00 O ATOM 0 H ASP A 71 -17.796 -22.386 -13.427 1.00 0.00 H new ATOM 0 HA ASP A 71 -15.301 -21.847 -12.318 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -15.172 -24.155 -11.890 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -16.890 -23.806 -11.879 1.00 0.00 H new ATOM 1168 N ASP A 72 -15.175 -22.620 -15.498 1.00 0.00 N ATOM 1169 CA ASP A 72 -14.305 -22.674 -16.672 1.00 0.00 C ATOM 1170 C ASP A 72 -13.512 -21.375 -16.853 1.00 0.00 C ATOM 1171 O ASP A 72 -12.355 -21.412 -17.273 1.00 0.00 O ATOM 1172 CB ASP A 72 -15.136 -22.951 -17.928 1.00 0.00 C ATOM 1173 CG ASP A 72 -14.241 -23.031 -19.176 1.00 0.00 C ATOM 1174 OD1 ASP A 72 -13.520 -24.041 -19.342 1.00 0.00 O ATOM 1175 OD2 ASP A 72 -14.288 -22.112 -20.023 1.00 0.00 O ATOM 0 H ASP A 72 -16.169 -22.632 -15.725 1.00 0.00 H new ATOM 0 HA ASP A 72 -13.592 -23.483 -16.516 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -15.682 -23.887 -17.808 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -15.878 -22.163 -18.058 1.00 0.00 H new ATOM 1180 N GLU A 73 -14.101 -20.226 -16.500 1.00 0.00 N ATOM 1181 CA GLU A 73 -13.385 -18.952 -16.470 1.00 0.00 C ATOM 1182 C GLU A 73 -12.437 -18.949 -15.268 1.00 0.00 C ATOM 1183 O GLU A 73 -11.285 -18.524 -15.366 1.00 0.00 O ATOM 1184 CB GLU A 73 -14.366 -17.769 -16.354 1.00 0.00 C ATOM 1185 CG GLU A 73 -15.406 -17.676 -17.482 1.00 0.00 C ATOM 1186 CD GLU A 73 -14.791 -17.574 -18.892 1.00 0.00 C ATOM 1187 OE1 GLU A 73 -13.809 -16.824 -19.094 1.00 0.00 O ATOM 1188 OE2 GLU A 73 -15.319 -18.211 -19.831 1.00 0.00 O ATOM 0 H GLU A 73 -15.082 -20.157 -16.229 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.825 -18.839 -17.398 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -14.891 -17.843 -15.401 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -13.793 -16.842 -16.331 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -16.052 -18.553 -17.441 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -16.039 -16.806 -17.309 1.00 0.00 H new ATOM 1195 N CYS A 74 -12.909 -19.461 -14.129 1.00 0.00 N ATOM 1196 CA CYS A 74 -12.208 -19.384 -12.855 1.00 0.00 C ATOM 1197 C CYS A 74 -11.022 -20.352 -12.728 1.00 0.00 C ATOM 1198 O CYS A 74 -10.503 -20.534 -11.628 1.00 0.00 O ATOM 1199 CB CYS A 74 -13.201 -19.545 -11.702 1.00 0.00 C ATOM 1200 SG CYS A 74 -14.472 -18.249 -11.797 1.00 0.00 S ATOM 0 H CYS A 74 -13.804 -19.947 -14.070 1.00 0.00 H new ATOM 0 HA CYS A 74 -11.757 -18.393 -12.806 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -13.668 -20.529 -11.747 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -12.677 -19.484 -10.748 1.00 0.00 H new ATOM 0 HG CYS A 74 -15.325 -18.545 -12.733 1.00 0.00 H new ATOM 1206 N LEU A 75 -10.572 -20.969 -13.824 1.00 0.00 N ATOM 1207 CA LEU A 75 -9.380 -21.814 -13.857 1.00 0.00 C ATOM 1208 C LEU A 75 -8.092 -20.985 -13.771 1.00 0.00 C ATOM 1209 O LEU A 75 -7.028 -21.569 -13.561 1.00 0.00 O ATOM 1210 CB LEU A 75 -9.353 -22.666 -15.142 1.00 0.00 C ATOM 1211 CG LEU A 75 -10.437 -23.758 -15.232 1.00 0.00 C ATOM 1212 CD1 LEU A 75 -10.328 -24.481 -16.578 1.00 0.00 C ATOM 1213 CD2 LEU A 75 -10.332 -24.791 -14.101 1.00 0.00 C ATOM 0 H LEU A 75 -11.036 -20.892 -14.729 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.428 -22.467 -12.986 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -9.457 -22.002 -16.000 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.375 -23.141 -15.223 1.00 0.00 H new ATOM 0 HG LEU A 75 -11.401 -23.259 -15.136 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -11.095 -25.253 -16.640 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -10.468 -23.765 -17.388 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -9.343 -24.940 -16.666 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -11.120 -25.536 -14.214 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -9.360 -25.282 -14.145 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -10.442 -24.290 -13.139 1.00 0.00 H new ATOM 1225 N LYS A 76 -8.160 -19.656 -13.946 1.00 0.00 N ATOM 1226 CA LYS A 76 -6.973 -18.798 -14.018 1.00 0.00 C ATOM 1227 C LYS A 76 -7.074 -17.528 -13.177 1.00 0.00 C ATOM 1228 O LYS A 76 -6.036 -16.990 -12.793 1.00 0.00 O ATOM 1229 CB LYS A 76 -6.650 -18.471 -15.486 1.00 0.00 C ATOM 1230 CG LYS A 76 -7.743 -17.671 -16.218 1.00 0.00 C ATOM 1231 CD LYS A 76 -7.353 -17.423 -17.681 1.00 0.00 C ATOM 1232 CE LYS A 76 -8.459 -16.635 -18.395 1.00 0.00 C ATOM 1233 NZ LYS A 76 -8.133 -16.372 -19.819 1.00 0.00 N ATOM 0 H LYS A 76 -9.040 -19.149 -14.041 1.00 0.00 H new ATOM 0 HA LYS A 76 -6.151 -19.365 -13.581 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -5.718 -17.906 -15.523 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -6.479 -19.404 -16.023 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -8.687 -18.215 -16.176 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.901 -16.718 -15.713 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -6.415 -16.870 -17.727 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -7.188 -18.374 -18.188 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.395 -17.191 -18.335 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -8.618 -15.688 -17.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -8.909 -15.838 -20.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -7.254 -15.819 -19.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -8.007 -17.275 -20.319 1.00 0.00 H new ATOM 1247 N ASP A 77 -8.275 -17.045 -12.861 1.00 0.00 N ATOM 1248 CA ASP A 77 -8.472 -15.851 -12.033 1.00 0.00 C ATOM 1249 C ASP A 77 -9.864 -15.912 -11.411 1.00 0.00 C ATOM 1250 O ASP A 77 -10.761 -16.526 -11.987 1.00 0.00 O ATOM 1251 CB ASP A 77 -8.343 -14.586 -12.894 1.00 0.00 C ATOM 1252 CG ASP A 77 -8.609 -13.315 -12.074 1.00 0.00 C ATOM 1253 OD1 ASP A 77 -7.714 -12.914 -11.298 1.00 0.00 O ATOM 1254 OD2 ASP A 77 -9.697 -12.719 -12.217 1.00 0.00 O ATOM 0 H ASP A 77 -9.146 -17.473 -13.174 1.00 0.00 H new ATOM 0 HA ASP A 77 -7.715 -15.818 -11.250 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -7.343 -14.539 -13.325 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -9.046 -14.637 -13.725 1.00 0.00 H new ATOM 1259 N MET A 78 -10.059 -15.303 -10.242 1.00 0.00 N ATOM 1260 CA MET A 78 -11.343 -15.255 -9.556 1.00 0.00 C ATOM 1261 C MET A 78 -12.224 -14.198 -10.234 1.00 0.00 C ATOM 1262 O MET A 78 -12.336 -13.056 -9.780 1.00 0.00 O ATOM 1263 CB MET A 78 -11.115 -15.006 -8.057 1.00 0.00 C ATOM 1264 CG MET A 78 -10.772 -16.283 -7.270 1.00 0.00 C ATOM 1265 SD MET A 78 -9.458 -17.388 -7.883 1.00 0.00 S ATOM 1266 CE MET A 78 -10.406 -18.614 -8.826 1.00 0.00 C ATOM 0 H MET A 78 -9.314 -14.822 -9.739 1.00 0.00 H new ATOM 0 HA MET A 78 -11.872 -16.205 -9.629 1.00 0.00 H new ATOM 0 HB2 MET A 78 -10.307 -14.285 -7.935 1.00 0.00 H new ATOM 0 HB3 MET A 78 -12.011 -14.555 -7.631 1.00 0.00 H new ATOM 0 HG2 MET A 78 -10.499 -15.980 -6.259 1.00 0.00 H new ATOM 0 HG3 MET A 78 -11.685 -16.873 -7.191 1.00 0.00 H new ATOM 0 HE1 MET A 78 -9.784 -19.490 -9.013 1.00 0.00 H new ATOM 0 HE2 MET A 78 -11.287 -18.909 -8.256 1.00 0.00 H new ATOM 0 HE3 MET A 78 -10.717 -18.181 -9.776 1.00 0.00 H new ATOM 1276 N TYR A 79 -12.829 -14.586 -11.356 1.00 0.00 N ATOM 1277 CA TYR A 79 -13.763 -13.757 -12.098 1.00 0.00 C ATOM 1278 C TYR A 79 -15.135 -13.773 -11.415 1.00 0.00 C ATOM 1279 O TYR A 79 -15.530 -14.777 -10.814 1.00 0.00 O ATOM 1280 CB TYR A 79 -13.900 -14.304 -13.522 1.00 0.00 C ATOM 1281 CG TYR A 79 -12.705 -14.106 -14.431 1.00 0.00 C ATOM 1282 CD1 TYR A 79 -12.445 -12.839 -14.988 1.00 0.00 C ATOM 1283 CD2 TYR A 79 -11.894 -15.203 -14.775 1.00 0.00 C ATOM 1284 CE1 TYR A 79 -11.380 -12.669 -15.892 1.00 0.00 C ATOM 1285 CE2 TYR A 79 -10.837 -15.044 -15.685 1.00 0.00 C ATOM 1286 CZ TYR A 79 -10.570 -13.774 -16.244 1.00 0.00 C ATOM 1287 OH TYR A 79 -9.535 -13.631 -17.121 1.00 0.00 O ATOM 0 H TYR A 79 -12.678 -15.502 -11.778 1.00 0.00 H new ATOM 0 HA TYR A 79 -13.390 -12.733 -12.127 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -14.111 -15.372 -13.460 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -14.767 -13.835 -13.988 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -13.064 -11.996 -14.721 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -12.085 -16.172 -14.337 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -11.181 -11.696 -16.317 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -10.228 -15.893 -15.958 1.00 0.00 H new ATOM 0 HH TYR A 79 -8.696 -13.878 -16.679 1.00 0.00 H new ATOM 1297 N VAL A 80 -15.901 -12.697 -11.581 1.00 0.00 N ATOM 1298 CA VAL A 80 -17.242 -12.542 -11.030 1.00 0.00 C ATOM 1299 C VAL A 80 -18.172 -12.014 -12.123 1.00 0.00 C ATOM 1300 O VAL A 80 -17.754 -11.217 -12.967 1.00 0.00 O ATOM 1301 CB VAL A 80 -17.218 -11.624 -9.785 1.00 0.00 C ATOM 1302 CG1 VAL A 80 -16.589 -12.332 -8.577 1.00 0.00 C ATOM 1303 CG2 VAL A 80 -16.489 -10.284 -9.999 1.00 0.00 C ATOM 0 H VAL A 80 -15.595 -11.886 -12.119 1.00 0.00 H new ATOM 0 HA VAL A 80 -17.621 -13.508 -10.696 1.00 0.00 H new ATOM 0 HB VAL A 80 -18.268 -11.400 -9.595 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -16.588 -11.658 -7.720 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -17.167 -13.224 -8.337 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -15.564 -12.617 -8.815 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -16.519 -9.702 -9.078 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -15.452 -10.474 -10.274 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -16.980 -9.726 -10.796 1.00 0.00 H new ATOM 1313 N GLU A 81 -19.427 -12.462 -12.120 1.00 0.00 N ATOM 1314 CA GLU A 81 -20.470 -11.886 -12.962 1.00 0.00 C ATOM 1315 C GLU A 81 -20.868 -10.557 -12.330 1.00 0.00 C ATOM 1316 O GLU A 81 -20.955 -10.447 -11.102 1.00 0.00 O ATOM 1317 CB GLU A 81 -21.693 -12.811 -13.048 1.00 0.00 C ATOM 1318 CG GLU A 81 -21.388 -14.119 -13.784 1.00 0.00 C ATOM 1319 CD GLU A 81 -22.670 -14.920 -14.074 1.00 0.00 C ATOM 1320 OE1 GLU A 81 -23.227 -15.555 -13.150 1.00 0.00 O ATOM 1321 OE2 GLU A 81 -23.127 -14.938 -15.240 1.00 0.00 O ATOM 0 H GLU A 81 -19.747 -13.233 -11.534 1.00 0.00 H new ATOM 0 HA GLU A 81 -20.098 -11.750 -13.978 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -22.045 -13.038 -12.041 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -22.503 -12.291 -13.559 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -20.876 -13.899 -14.721 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -20.708 -14.724 -13.184 1.00 0.00 H new ATOM 1328 N VAL A 82 -21.124 -9.544 -13.153 1.00 0.00 N ATOM 1329 CA VAL A 82 -21.293 -8.187 -12.673 1.00 0.00 C ATOM 1330 C VAL A 82 -22.293 -7.460 -13.573 1.00 0.00 C ATOM 1331 O VAL A 82 -22.232 -7.588 -14.793 1.00 0.00 O ATOM 1332 CB VAL A 82 -19.889 -7.542 -12.615 1.00 0.00 C ATOM 1333 CG1 VAL A 82 -19.191 -7.422 -13.978 1.00 0.00 C ATOM 1334 CG2 VAL A 82 -19.930 -6.171 -11.959 1.00 0.00 C ATOM 0 H VAL A 82 -21.219 -9.645 -14.164 1.00 0.00 H new ATOM 0 HA VAL A 82 -21.715 -8.137 -11.669 1.00 0.00 H new ATOM 0 HB VAL A 82 -19.300 -8.232 -12.010 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -18.213 -6.959 -13.846 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -19.068 -8.414 -14.412 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -19.796 -6.807 -14.644 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -18.925 -5.749 -11.936 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -20.587 -5.514 -12.529 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -20.307 -6.266 -10.941 1.00 0.00 H new ATOM 1344 N ALA A 83 -23.215 -6.702 -12.988 1.00 0.00 N ATOM 1345 CA ALA A 83 -24.188 -5.897 -13.709 1.00 0.00 C ATOM 1346 C ALA A 83 -23.821 -4.431 -13.525 1.00 0.00 C ATOM 1347 O ALA A 83 -23.534 -3.984 -12.409 1.00 0.00 O ATOM 1348 CB ALA A 83 -25.601 -6.181 -13.194 1.00 0.00 C ATOM 0 H ALA A 83 -23.306 -6.631 -11.975 1.00 0.00 H new ATOM 0 HA ALA A 83 -24.173 -6.146 -14.770 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -26.318 -5.571 -13.743 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -25.836 -7.236 -13.339 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -25.657 -5.939 -12.133 1.00 0.00 H new ATOM 1354 N ASP A 84 -23.828 -3.681 -14.624 1.00 0.00 N ATOM 1355 CA ASP A 84 -23.458 -2.271 -14.649 1.00 0.00 C ATOM 1356 C ASP A 84 -24.641 -1.418 -14.217 1.00 0.00 C ATOM 1357 O ASP A 84 -25.298 -0.774 -15.035 1.00 0.00 O ATOM 1358 CB ASP A 84 -22.952 -1.875 -16.039 1.00 0.00 C ATOM 1359 CG ASP A 84 -22.526 -0.403 -16.116 1.00 0.00 C ATOM 1360 OD1 ASP A 84 -22.453 0.283 -15.073 1.00 0.00 O ATOM 1361 OD2 ASP A 84 -22.205 0.057 -17.233 1.00 0.00 O ATOM 0 H ASP A 84 -24.096 -4.044 -15.539 1.00 0.00 H new ATOM 0 HA ASP A 84 -22.644 -2.099 -13.945 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -22.107 -2.508 -16.308 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -23.736 -2.061 -16.773 1.00 0.00 H new ATOM 1366 N ILE A 85 -24.948 -1.424 -12.924 1.00 0.00 N ATOM 1367 CA ILE A 85 -26.001 -0.587 -12.343 1.00 0.00 C ATOM 1368 C ILE A 85 -25.725 0.923 -12.501 1.00 0.00 C ATOM 1369 O ILE A 85 -26.589 1.735 -12.165 1.00 0.00 O ATOM 1370 CB ILE A 85 -26.298 -1.002 -10.882 1.00 0.00 C ATOM 1371 CG1 ILE A 85 -25.144 -0.662 -9.914 1.00 0.00 C ATOM 1372 CG2 ILE A 85 -26.673 -2.497 -10.835 1.00 0.00 C ATOM 1373 CD1 ILE A 85 -25.439 -1.001 -8.447 1.00 0.00 C ATOM 0 H ILE A 85 -24.471 -2.013 -12.241 1.00 0.00 H new ATOM 0 HA ILE A 85 -26.910 -0.766 -12.917 1.00 0.00 H new ATOM 0 HB ILE A 85 -27.147 -0.415 -10.532 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -24.250 -1.201 -10.228 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -24.919 0.402 -9.992 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -26.882 -2.788 -9.805 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -27.558 -2.670 -11.447 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -25.845 -3.092 -11.219 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -24.580 -0.733 -7.832 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -26.313 -0.442 -8.113 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -25.633 -2.069 -8.352 1.00 0.00 H new ATOM 1385 N GLY A 86 -24.556 1.310 -13.025 1.00 0.00 N ATOM 1386 CA GLY A 86 -24.191 2.689 -13.306 1.00 0.00 C ATOM 1387 C GLY A 86 -24.411 3.076 -14.773 1.00 0.00 C ATOM 1388 O GLY A 86 -24.369 4.271 -15.075 1.00 0.00 O ATOM 0 H GLY A 86 -23.821 0.646 -13.270 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -24.776 3.352 -12.669 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -23.143 2.842 -13.048 1.00 0.00 H new ATOM 1392 N GLY A 87 -24.657 2.119 -15.682 1.00 0.00 N ATOM 1393 CA GLY A 87 -24.660 2.393 -17.121 1.00 0.00 C ATOM 1394 C GLY A 87 -25.549 1.495 -17.987 1.00 0.00 C ATOM 1395 O GLY A 87 -25.783 1.848 -19.144 1.00 0.00 O ATOM 0 H GLY A 87 -24.856 1.148 -15.441 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -24.971 3.427 -17.271 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -23.636 2.312 -17.486 1.00 0.00 H new ATOM 1399 N LYS A 88 -26.082 0.383 -17.466 1.00 0.00 N ATOM 1400 CA LYS A 88 -27.006 -0.503 -18.190 1.00 0.00 C ATOM 1401 C LYS A 88 -28.169 -0.909 -17.293 1.00 0.00 C ATOM 1402 O LYS A 88 -29.308 -0.902 -17.754 1.00 0.00 O ATOM 1403 CB LYS A 88 -26.298 -1.783 -18.683 1.00 0.00 C ATOM 1404 CG LYS A 88 -25.115 -1.593 -19.648 1.00 0.00 C ATOM 1405 CD LYS A 88 -25.483 -1.030 -21.032 1.00 0.00 C ATOM 1406 CE LYS A 88 -26.222 -2.011 -21.960 1.00 0.00 C ATOM 1407 NZ LYS A 88 -25.339 -3.051 -22.554 1.00 0.00 N ATOM 0 H LYS A 88 -25.882 0.068 -16.517 1.00 0.00 H new ATOM 0 HA LYS A 88 -27.372 0.055 -19.052 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -25.941 -2.331 -17.811 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -27.039 -2.414 -19.174 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -24.391 -0.925 -19.182 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -24.620 -2.554 -19.784 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -26.105 -0.146 -20.894 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -24.570 -0.702 -21.528 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -27.018 -2.500 -21.398 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -26.698 -1.449 -22.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -25.650 -3.257 -23.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -24.358 -2.706 -22.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -25.391 -3.918 -21.983 1.00 0.00 H new ATOM 1421 N ASP A 89 -27.882 -1.268 -16.037 1.00 0.00 N ATOM 1422 CA ASP A 89 -28.770 -1.792 -14.988 1.00 0.00 C ATOM 1423 C ASP A 89 -29.493 -3.108 -15.316 1.00 0.00 C ATOM 1424 O ASP A 89 -29.798 -3.882 -14.410 1.00 0.00 O ATOM 1425 CB ASP A 89 -29.752 -0.708 -14.525 1.00 0.00 C ATOM 1426 CG ASP A 89 -30.639 -1.193 -13.366 1.00 0.00 C ATOM 1427 OD1 ASP A 89 -30.143 -1.291 -12.222 1.00 0.00 O ATOM 1428 OD2 ASP A 89 -31.851 -1.422 -13.582 1.00 0.00 O ATOM 0 H ASP A 89 -26.925 -1.192 -15.693 1.00 0.00 H new ATOM 0 HA ASP A 89 -28.105 -2.063 -14.168 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -29.196 0.175 -14.211 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -30.382 -0.407 -15.362 1.00 0.00 H new ATOM 1433 N ASP A 90 -29.701 -3.409 -16.596 1.00 0.00 N ATOM 1434 CA ASP A 90 -30.472 -4.548 -17.099 1.00 0.00 C ATOM 1435 C ASP A 90 -29.587 -5.504 -17.914 1.00 0.00 C ATOM 1436 O ASP A 90 -30.081 -6.422 -18.570 1.00 0.00 O ATOM 1437 CB ASP A 90 -31.623 -3.995 -17.947 1.00 0.00 C ATOM 1438 CG ASP A 90 -32.623 -5.078 -18.394 1.00 0.00 C ATOM 1439 OD1 ASP A 90 -33.181 -5.794 -17.530 1.00 0.00 O ATOM 1440 OD2 ASP A 90 -32.915 -5.175 -19.608 1.00 0.00 O ATOM 0 H ASP A 90 -29.318 -2.838 -17.349 1.00 0.00 H new ATOM 0 HA ASP A 90 -30.868 -5.129 -16.266 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -32.154 -3.234 -17.375 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -31.212 -3.503 -18.829 1.00 0.00 H new ATOM 1445 N ASP A 91 -28.267 -5.297 -17.879 1.00 0.00 N ATOM 1446 CA ASP A 91 -27.283 -6.107 -18.600 1.00 0.00 C ATOM 1447 C ASP A 91 -26.122 -6.473 -17.682 1.00 0.00 C ATOM 1448 O ASP A 91 -25.894 -5.829 -16.653 1.00 0.00 O ATOM 1449 CB ASP A 91 -26.765 -5.359 -19.829 1.00 0.00 C ATOM 1450 CG ASP A 91 -25.949 -6.222 -20.800 1.00 0.00 C ATOM 1451 OD1 ASP A 91 -26.154 -7.455 -20.867 1.00 0.00 O ATOM 1452 OD2 ASP A 91 -25.122 -5.628 -21.527 1.00 0.00 O ATOM 0 H ASP A 91 -27.844 -4.544 -17.336 1.00 0.00 H new ATOM 0 HA ASP A 91 -27.772 -7.023 -18.932 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -27.614 -4.934 -20.365 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -26.148 -4.524 -19.497 1.00 0.00 H new ATOM 1457 N VAL A 92 -25.385 -7.501 -18.087 1.00 0.00 N ATOM 1458 CA VAL A 92 -24.376 -8.180 -17.282 1.00 0.00 C ATOM 1459 C VAL A 92 -23.113 -8.413 -18.125 1.00 0.00 C ATOM 1460 O VAL A 92 -23.184 -8.635 -19.338 1.00 0.00 O ATOM 1461 CB VAL A 92 -24.975 -9.508 -16.741 1.00 0.00 C ATOM 1462 CG1 VAL A 92 -24.051 -10.249 -15.762 1.00 0.00 C ATOM 1463 CG2 VAL A 92 -26.322 -9.307 -16.019 1.00 0.00 C ATOM 0 H VAL A 92 -25.477 -7.900 -19.021 1.00 0.00 H new ATOM 0 HA VAL A 92 -24.087 -7.567 -16.429 1.00 0.00 H new ATOM 0 HB VAL A 92 -25.109 -10.106 -17.642 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -24.536 -11.166 -15.427 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -23.114 -10.496 -16.262 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -23.846 -9.612 -14.902 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -26.691 -10.269 -15.663 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -26.184 -8.635 -15.172 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -27.045 -8.874 -16.711 1.00 0.00 H new ATOM 1473 N TYR A 93 -21.965 -8.394 -17.451 1.00 0.00 N ATOM 1474 CA TYR A 93 -20.622 -8.625 -17.962 1.00 0.00 C ATOM 1475 C TYR A 93 -19.878 -9.517 -16.950 1.00 0.00 C ATOM 1476 O TYR A 93 -20.476 -10.022 -15.993 1.00 0.00 O ATOM 1477 CB TYR A 93 -19.903 -7.272 -18.130 1.00 0.00 C ATOM 1478 CG TYR A 93 -20.629 -6.231 -18.964 1.00 0.00 C ATOM 1479 CD1 TYR A 93 -20.505 -6.240 -20.367 1.00 0.00 C ATOM 1480 CD2 TYR A 93 -21.397 -5.232 -18.333 1.00 0.00 C ATOM 1481 CE1 TYR A 93 -21.122 -5.239 -21.137 1.00 0.00 C ATOM 1482 CE2 TYR A 93 -22.018 -4.229 -19.097 1.00 0.00 C ATOM 1483 CZ TYR A 93 -21.866 -4.217 -20.505 1.00 0.00 C ATOM 1484 OH TYR A 93 -22.398 -3.212 -21.258 1.00 0.00 O ATOM 0 H TYR A 93 -21.953 -8.200 -16.450 1.00 0.00 H new ATOM 0 HA TYR A 93 -20.651 -9.119 -18.933 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -19.722 -6.854 -17.140 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -18.928 -7.455 -18.582 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -19.934 -7.018 -20.852 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -21.509 -5.237 -17.259 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -21.027 -5.251 -22.213 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -22.611 -3.468 -18.611 1.00 0.00 H new ATOM 0 HH TYR A 93 -22.604 -3.549 -22.155 1.00 0.00 H new ATOM 1494 N THR A 94 -18.564 -9.673 -17.121 1.00 0.00 N ATOM 1495 CA THR A 94 -17.687 -10.347 -16.169 1.00 0.00 C ATOM 1496 C THR A 94 -16.578 -9.359 -15.777 1.00 0.00 C ATOM 1497 O THR A 94 -16.157 -8.547 -16.607 1.00 0.00 O ATOM 1498 CB THR A 94 -17.143 -11.641 -16.807 1.00 0.00 C ATOM 1499 OG1 THR A 94 -18.201 -12.419 -17.340 1.00 0.00 O ATOM 1500 CG2 THR A 94 -16.383 -12.524 -15.813 1.00 0.00 C ATOM 0 H THR A 94 -18.072 -9.326 -17.944 1.00 0.00 H new ATOM 0 HA THR A 94 -18.216 -10.644 -15.263 1.00 0.00 H new ATOM 0 HB THR A 94 -16.457 -11.315 -17.589 1.00 0.00 H new ATOM 0 HG1 THR A 94 -17.837 -13.235 -17.742 1.00 0.00 H new ATOM 0 HG21 THR A 94 -16.025 -13.419 -16.321 1.00 0.00 H new ATOM 0 HG22 THR A 94 -15.534 -11.971 -15.410 1.00 0.00 H new ATOM 0 HG23 THR A 94 -17.048 -12.811 -14.999 1.00 0.00 H new ATOM 1508 N ALA A 95 -16.102 -9.433 -14.531 1.00 0.00 N ATOM 1509 CA ALA A 95 -15.005 -8.624 -14.013 1.00 0.00 C ATOM 1510 C ALA A 95 -14.063 -9.491 -13.189 1.00 0.00 C ATOM 1511 O ALA A 95 -14.434 -10.567 -12.721 1.00 0.00 O ATOM 1512 CB ALA A 95 -15.540 -7.475 -13.150 1.00 0.00 C ATOM 0 H ALA A 95 -16.483 -10.077 -13.838 1.00 0.00 H new ATOM 0 HA ALA A 95 -14.461 -8.201 -14.857 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -14.705 -6.884 -12.773 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -16.192 -6.841 -13.751 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -16.104 -7.882 -12.311 1.00 0.00 H new ATOM 1518 N LYS A 96 -12.839 -9.005 -12.997 1.00 0.00 N ATOM 1519 CA LYS A 96 -11.876 -9.616 -12.091 1.00 0.00 C ATOM 1520 C LYS A 96 -12.274 -9.174 -10.690 1.00 0.00 C ATOM 1521 O LYS A 96 -12.397 -7.967 -10.464 1.00 0.00 O ATOM 1522 CB LYS A 96 -10.432 -9.167 -12.415 1.00 0.00 C ATOM 1523 CG LYS A 96 -10.075 -9.150 -13.916 1.00 0.00 C ATOM 1524 CD LYS A 96 -10.282 -7.758 -14.553 1.00 0.00 C ATOM 1525 CE LYS A 96 -10.347 -7.797 -16.088 1.00 0.00 C ATOM 1526 NZ LYS A 96 -9.053 -8.166 -16.718 1.00 0.00 N ATOM 0 H LYS A 96 -12.488 -8.172 -13.469 1.00 0.00 H new ATOM 0 HA LYS A 96 -11.888 -10.702 -12.188 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -10.279 -8.167 -12.009 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -9.737 -9.830 -11.899 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -9.036 -9.454 -14.043 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -10.688 -9.882 -14.441 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -11.204 -7.323 -14.168 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -9.468 -7.101 -14.247 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -11.110 -8.512 -16.395 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -10.658 -6.820 -16.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -9.161 -8.175 -17.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -8.327 -7.471 -16.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -8.765 -9.110 -16.392 1.00 0.00 H new ATOM 1540 N LEU A 97 -12.422 -10.092 -9.731 1.00 0.00 N ATOM 1541 CA LEU A 97 -12.596 -9.697 -8.331 1.00 0.00 C ATOM 1542 C LEU A 97 -11.396 -8.859 -7.870 1.00 0.00 C ATOM 1543 O LEU A 97 -11.550 -7.905 -7.112 1.00 0.00 O ATOM 1544 CB LEU A 97 -12.771 -10.943 -7.451 1.00 0.00 C ATOM 1545 CG LEU A 97 -13.030 -10.624 -5.967 1.00 0.00 C ATOM 1546 CD1 LEU A 97 -14.306 -9.791 -5.774 1.00 0.00 C ATOM 1547 CD2 LEU A 97 -13.146 -11.944 -5.200 1.00 0.00 C ATOM 0 H LEU A 97 -12.425 -11.099 -9.894 1.00 0.00 H new ATOM 0 HA LEU A 97 -13.494 -9.086 -8.237 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -13.601 -11.535 -7.836 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -11.876 -11.560 -7.530 1.00 0.00 H new ATOM 0 HG LEU A 97 -12.198 -10.030 -5.587 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -14.451 -9.588 -4.713 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -14.210 -8.849 -6.314 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -15.163 -10.344 -6.158 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -13.330 -11.737 -4.146 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -13.972 -12.528 -5.605 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -12.219 -12.507 -5.303 1.00 0.00 H new ATOM 1559 N SER A 98 -10.220 -9.180 -8.410 1.00 0.00 N ATOM 1560 CA SER A 98 -8.954 -8.472 -8.292 1.00 0.00 C ATOM 1561 C SER A 98 -9.030 -6.970 -8.621 1.00 0.00 C ATOM 1562 O SER A 98 -8.116 -6.233 -8.249 1.00 0.00 O ATOM 1563 CB SER A 98 -7.986 -9.161 -9.262 1.00 0.00 C ATOM 1564 OG SER A 98 -8.076 -10.568 -9.104 1.00 0.00 O ATOM 0 H SER A 98 -10.126 -10.014 -8.990 1.00 0.00 H new ATOM 0 HA SER A 98 -8.631 -8.517 -7.252 1.00 0.00 H new ATOM 0 HB2 SER A 98 -8.225 -8.884 -10.289 1.00 0.00 H new ATOM 0 HB3 SER A 98 -6.966 -8.828 -9.072 1.00 0.00 H new ATOM 0 HG SER A 98 -7.947 -11.004 -9.972 1.00 0.00 H new ATOM 1570 N ASP A 99 -10.079 -6.508 -9.316 1.00 0.00 N ATOM 1571 CA ASP A 99 -10.175 -5.141 -9.841 1.00 0.00 C ATOM 1572 C ASP A 99 -11.430 -4.412 -9.341 1.00 0.00 C ATOM 1573 O ASP A 99 -11.794 -3.341 -9.833 1.00 0.00 O ATOM 1574 CB ASP A 99 -10.076 -5.189 -11.375 1.00 0.00 C ATOM 1575 CG ASP A 99 -9.668 -3.845 -11.994 1.00 0.00 C ATOM 1576 OD1 ASP A 99 -8.783 -3.168 -11.422 1.00 0.00 O ATOM 1577 OD2 ASP A 99 -10.152 -3.528 -13.104 1.00 0.00 O ATOM 0 H ASP A 99 -10.894 -7.082 -9.531 1.00 0.00 H new ATOM 0 HA ASP A 99 -9.342 -4.550 -9.461 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -9.351 -5.950 -11.663 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -11.038 -5.494 -11.786 1.00 0.00 H new ATOM 1582 N ILE A 100 -12.079 -4.986 -8.327 1.00 0.00 N ATOM 1583 CA ILE A 100 -13.297 -4.474 -7.709 1.00 0.00 C ATOM 1584 C ILE A 100 -13.024 -4.156 -6.241 1.00 0.00 C ATOM 1585 O ILE A 100 -12.184 -4.766 -5.576 1.00 0.00 O ATOM 1586 CB ILE A 100 -14.464 -5.475 -7.944 1.00 0.00 C ATOM 1587 CG1 ILE A 100 -15.206 -5.050 -9.229 1.00 0.00 C ATOM 1588 CG2 ILE A 100 -15.470 -5.633 -6.782 1.00 0.00 C ATOM 1589 CD1 ILE A 100 -16.243 -6.060 -9.723 1.00 0.00 C ATOM 0 H ILE A 100 -11.756 -5.854 -7.899 1.00 0.00 H new ATOM 0 HA ILE A 100 -13.611 -3.537 -8.170 1.00 0.00 H new ATOM 0 HB ILE A 100 -14.004 -6.460 -8.029 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -15.702 -4.096 -9.049 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -14.474 -4.884 -10.019 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -16.237 -6.355 -7.061 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -14.947 -5.985 -5.893 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -15.937 -4.671 -6.572 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -16.716 -5.682 -10.629 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -15.752 -7.009 -9.939 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -17.000 -6.210 -8.954 1.00 0.00 H new ATOM 1601 N GLU A 101 -13.803 -3.201 -5.752 1.00 0.00 N ATOM 1602 CA GLU A 101 -13.912 -2.812 -4.358 1.00 0.00 C ATOM 1603 C GLU A 101 -15.323 -3.212 -3.941 1.00 0.00 C ATOM 1604 O GLU A 101 -16.289 -2.763 -4.557 1.00 0.00 O ATOM 1605 CB GLU A 101 -13.684 -1.296 -4.245 1.00 0.00 C ATOM 1606 CG GLU A 101 -14.028 -0.747 -2.853 1.00 0.00 C ATOM 1607 CD GLU A 101 -13.760 0.765 -2.764 1.00 0.00 C ATOM 1608 OE1 GLU A 101 -14.395 1.547 -3.510 1.00 0.00 O ATOM 1609 OE2 GLU A 101 -12.906 1.183 -1.950 1.00 0.00 O ATOM 0 H GLU A 101 -14.410 -2.646 -6.355 1.00 0.00 H new ATOM 0 HA GLU A 101 -13.175 -3.291 -3.714 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -12.642 -1.072 -4.472 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -14.290 -0.785 -4.993 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -15.076 -0.946 -2.631 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -13.438 -1.268 -2.099 1.00 0.00 H new ATOM 1616 N ALA A 102 -15.455 -4.074 -2.934 1.00 0.00 N ATOM 1617 CA ALA A 102 -16.755 -4.513 -2.457 1.00 0.00 C ATOM 1618 C ALA A 102 -17.354 -3.440 -1.550 1.00 0.00 C ATOM 1619 O ALA A 102 -16.653 -2.858 -0.718 1.00 0.00 O ATOM 1620 CB ALA A 102 -16.591 -5.825 -1.697 1.00 0.00 C ATOM 0 H ALA A 102 -14.667 -4.482 -2.432 1.00 0.00 H new ATOM 0 HA ALA A 102 -17.428 -4.672 -3.299 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -17.563 -6.160 -1.336 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -16.170 -6.580 -2.361 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -15.922 -5.674 -0.850 1.00 0.00 H new ATOM 1626 N ILE A 103 -18.659 -3.221 -1.686 1.00 0.00 N ATOM 1627 CA ILE A 103 -19.430 -2.245 -0.925 1.00 0.00 C ATOM 1628 C ILE A 103 -20.666 -2.964 -0.362 1.00 0.00 C ATOM 1629 O ILE A 103 -21.246 -3.829 -1.018 1.00 0.00 O ATOM 1630 CB ILE A 103 -19.764 -1.056 -1.861 1.00 0.00 C ATOM 1631 CG1 ILE A 103 -18.479 -0.266 -2.208 1.00 0.00 C ATOM 1632 CG2 ILE A 103 -20.827 -0.109 -1.270 1.00 0.00 C ATOM 1633 CD1 ILE A 103 -18.666 0.754 -3.333 1.00 0.00 C ATOM 0 H ILE A 103 -19.229 -3.739 -2.355 1.00 0.00 H new ATOM 0 HA ILE A 103 -18.882 -1.832 -0.078 1.00 0.00 H new ATOM 0 HB ILE A 103 -20.188 -1.482 -2.770 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -18.130 0.252 -1.315 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -17.697 -0.970 -2.494 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -21.020 0.704 -1.970 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -21.749 -0.662 -1.094 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -20.465 0.302 -0.328 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -17.723 1.268 -3.519 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -18.985 0.241 -4.240 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -19.424 1.481 -3.042 1.00 0.00 H new ATOM 1645 N ASP A 104 -21.072 -2.586 0.857 1.00 0.00 N ATOM 1646 CA ASP A 104 -22.267 -3.085 1.559 1.00 0.00 C ATOM 1647 C ASP A 104 -22.285 -4.616 1.749 1.00 0.00 C ATOM 1648 O ASP A 104 -23.337 -5.229 1.939 1.00 0.00 O ATOM 1649 CB ASP A 104 -23.541 -2.523 0.902 1.00 0.00 C ATOM 1650 CG ASP A 104 -24.805 -2.756 1.751 1.00 0.00 C ATOM 1651 OD1 ASP A 104 -24.810 -2.410 2.955 1.00 0.00 O ATOM 1652 OD2 ASP A 104 -25.832 -3.221 1.204 1.00 0.00 O ATOM 0 H ASP A 104 -20.558 -1.896 1.405 1.00 0.00 H new ATOM 0 HA ASP A 104 -22.231 -2.707 2.581 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -23.415 -1.454 0.733 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -23.675 -2.987 -0.075 1.00 0.00 H new ATOM 1657 N VAL A 105 -21.111 -5.250 1.696 1.00 0.00 N ATOM 1658 CA VAL A 105 -20.943 -6.679 1.933 1.00 0.00 C ATOM 1659 C VAL A 105 -20.974 -7.016 3.425 1.00 0.00 C ATOM 1660 O VAL A 105 -20.815 -6.148 4.290 1.00 0.00 O ATOM 1661 CB VAL A 105 -19.625 -7.182 1.304 1.00 0.00 C ATOM 1662 CG1 VAL A 105 -19.846 -7.442 -0.181 1.00 0.00 C ATOM 1663 CG2 VAL A 105 -18.423 -6.250 1.503 1.00 0.00 C ATOM 0 H VAL A 105 -20.236 -4.772 1.483 1.00 0.00 H new ATOM 0 HA VAL A 105 -21.783 -7.187 1.459 1.00 0.00 H new ATOM 0 HB VAL A 105 -19.366 -8.100 1.831 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -18.919 -7.797 -0.630 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -20.622 -8.197 -0.307 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -20.155 -6.518 -0.670 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -17.543 -6.684 1.028 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -18.636 -5.280 1.053 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -18.234 -6.122 2.569 1.00 0.00 H new ATOM 1673 N ASP A 106 -21.170 -8.305 3.708 1.00 0.00 N ATOM 1674 CA ASP A 106 -21.002 -8.863 5.048 1.00 0.00 C ATOM 1675 C ASP A 106 -19.508 -8.890 5.375 1.00 0.00 C ATOM 1676 O ASP A 106 -18.673 -8.927 4.470 1.00 0.00 O ATOM 1677 CB ASP A 106 -21.562 -10.285 5.109 1.00 0.00 C ATOM 1678 CG ASP A 106 -21.372 -10.907 6.502 1.00 0.00 C ATOM 1679 OD1 ASP A 106 -22.090 -10.503 7.445 1.00 0.00 O ATOM 1680 OD2 ASP A 106 -20.467 -11.754 6.668 1.00 0.00 O ATOM 0 H ASP A 106 -21.451 -8.993 3.010 1.00 0.00 H new ATOM 0 HA ASP A 106 -21.541 -8.248 5.769 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -22.623 -10.270 4.858 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -21.066 -10.905 4.362 1.00 0.00 H new ATOM 1685 N ASP A 107 -19.169 -8.913 6.660 1.00 0.00 N ATOM 1686 CA ASP A 107 -17.786 -8.950 7.130 1.00 0.00 C ATOM 1687 C ASP A 107 -17.020 -10.140 6.558 1.00 0.00 C ATOM 1688 O ASP A 107 -15.903 -9.956 6.085 1.00 0.00 O ATOM 1689 CB ASP A 107 -17.757 -8.990 8.660 1.00 0.00 C ATOM 1690 CG ASP A 107 -16.316 -9.086 9.187 1.00 0.00 C ATOM 1691 OD1 ASP A 107 -15.593 -8.064 9.163 1.00 0.00 O ATOM 1692 OD2 ASP A 107 -15.922 -10.164 9.686 1.00 0.00 O ATOM 0 H ASP A 107 -19.855 -8.906 7.415 1.00 0.00 H new ATOM 0 HA ASP A 107 -17.292 -8.044 6.778 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -18.234 -8.095 9.059 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -18.334 -9.844 9.015 1.00 0.00 H new ATOM 1697 N ASP A 108 -17.605 -11.341 6.530 1.00 0.00 N ATOM 1698 CA ASP A 108 -16.877 -12.526 6.065 1.00 0.00 C ATOM 1699 C ASP A 108 -16.705 -12.497 4.544 1.00 0.00 C ATOM 1700 O ASP A 108 -15.709 -12.989 4.014 1.00 0.00 O ATOM 1701 CB ASP A 108 -17.594 -13.815 6.495 1.00 0.00 C ATOM 1702 CG ASP A 108 -16.673 -15.050 6.544 1.00 0.00 C ATOM 1703 OD1 ASP A 108 -15.441 -14.922 6.728 1.00 0.00 O ATOM 1704 OD2 ASP A 108 -17.206 -16.181 6.500 1.00 0.00 O ATOM 0 H ASP A 108 -18.567 -11.518 6.819 1.00 0.00 H new ATOM 0 HA ASP A 108 -15.889 -12.512 6.525 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -18.036 -13.663 7.480 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -18.414 -14.012 5.804 1.00 0.00 H new ATOM 1709 N THR A 109 -17.653 -11.870 3.839 1.00 0.00 N ATOM 1710 CA THR A 109 -17.557 -11.636 2.405 1.00 0.00 C ATOM 1711 C THR A 109 -16.424 -10.631 2.148 1.00 0.00 C ATOM 1712 O THR A 109 -15.527 -10.920 1.355 1.00 0.00 O ATOM 1713 CB THR A 109 -18.934 -11.166 1.899 1.00 0.00 C ATOM 1714 OG1 THR A 109 -19.882 -12.200 2.076 1.00 0.00 O ATOM 1715 CG2 THR A 109 -18.989 -10.794 0.420 1.00 0.00 C ATOM 0 H THR A 109 -18.512 -11.511 4.256 1.00 0.00 H new ATOM 0 HA THR A 109 -17.305 -12.540 1.851 1.00 0.00 H new ATOM 0 HB THR A 109 -19.146 -10.270 2.482 1.00 0.00 H new ATOM 0 HG1 THR A 109 -19.440 -13.069 1.977 1.00 0.00 H new ATOM 0 HG21 THR A 109 -19.999 -10.477 0.162 1.00 0.00 H new ATOM 0 HG22 THR A 109 -18.292 -9.980 0.223 1.00 0.00 H new ATOM 0 HG23 THR A 109 -18.715 -11.660 -0.183 1.00 0.00 H new ATOM 1723 N GLN A 110 -16.407 -9.488 2.847 1.00 0.00 N ATOM 1724 CA GLN A 110 -15.370 -8.474 2.697 1.00 0.00 C ATOM 1725 C GLN A 110 -13.996 -9.080 2.991 1.00 0.00 C ATOM 1726 O GLN A 110 -13.069 -8.895 2.207 1.00 0.00 O ATOM 1727 CB GLN A 110 -15.669 -7.278 3.625 1.00 0.00 C ATOM 1728 CG GLN A 110 -15.119 -5.940 3.101 1.00 0.00 C ATOM 1729 CD GLN A 110 -13.591 -5.877 3.044 1.00 0.00 C ATOM 1730 OE1 GLN A 110 -12.911 -5.931 4.065 1.00 0.00 O ATOM 1731 NE2 GLN A 110 -13.017 -5.751 1.857 1.00 0.00 N ATOM 0 H GLN A 110 -17.120 -9.245 3.535 1.00 0.00 H new ATOM 0 HA GLN A 110 -15.362 -8.111 1.669 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -16.748 -7.192 3.756 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -15.243 -7.476 4.608 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -15.518 -5.761 2.103 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -15.482 -5.134 3.739 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -13.591 -5.707 1.015 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -12.001 -5.698 1.785 1.00 0.00 H new ATOM 1740 N GLU A 111 -13.866 -9.838 4.080 1.00 0.00 N ATOM 1741 CA GLU A 111 -12.604 -10.437 4.488 1.00 0.00 C ATOM 1742 C GLU A 111 -12.102 -11.433 3.438 1.00 0.00 C ATOM 1743 O GLU A 111 -10.900 -11.468 3.180 1.00 0.00 O ATOM 1744 CB GLU A 111 -12.764 -11.112 5.859 1.00 0.00 C ATOM 1745 CG GLU A 111 -12.846 -10.107 7.022 1.00 0.00 C ATOM 1746 CD GLU A 111 -11.473 -9.501 7.366 1.00 0.00 C ATOM 1747 OE1 GLU A 111 -10.717 -10.109 8.158 1.00 0.00 O ATOM 1748 OE2 GLU A 111 -11.138 -8.404 6.866 1.00 0.00 O ATOM 0 H GLU A 111 -14.642 -10.053 4.706 1.00 0.00 H new ATOM 0 HA GLU A 111 -11.856 -9.649 4.573 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -13.665 -11.725 5.852 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -11.923 -11.784 6.027 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -13.539 -9.307 6.760 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -13.252 -10.605 7.902 1.00 0.00 H new ATOM 1755 N ALA A 112 -12.987 -12.203 2.793 1.00 0.00 N ATOM 1756 CA ALA A 112 -12.578 -13.133 1.745 1.00 0.00 C ATOM 1757 C ALA A 112 -12.016 -12.372 0.539 1.00 0.00 C ATOM 1758 O ALA A 112 -10.991 -12.761 -0.021 1.00 0.00 O ATOM 1759 CB ALA A 112 -13.757 -14.018 1.329 1.00 0.00 C ATOM 0 H ALA A 112 -13.989 -12.197 2.982 1.00 0.00 H new ATOM 0 HA ALA A 112 -11.789 -13.775 2.138 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -13.437 -14.706 0.547 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -14.108 -14.586 2.191 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -14.567 -13.392 0.953 1.00 0.00 H new ATOM 1765 N ILE A 113 -12.670 -11.274 0.154 1.00 0.00 N ATOM 1766 CA ILE A 113 -12.256 -10.445 -0.974 1.00 0.00 C ATOM 1767 C ILE A 113 -10.915 -9.777 -0.638 1.00 0.00 C ATOM 1768 O ILE A 113 -9.994 -9.811 -1.455 1.00 0.00 O ATOM 1769 CB ILE A 113 -13.381 -9.434 -1.307 1.00 0.00 C ATOM 1770 CG1 ILE A 113 -14.659 -10.195 -1.734 1.00 0.00 C ATOM 1771 CG2 ILE A 113 -12.945 -8.448 -2.408 1.00 0.00 C ATOM 1772 CD1 ILE A 113 -15.911 -9.323 -1.828 1.00 0.00 C ATOM 0 H ILE A 113 -13.510 -10.934 0.623 1.00 0.00 H new ATOM 0 HA ILE A 113 -12.098 -11.045 -1.870 1.00 0.00 H new ATOM 0 HB ILE A 113 -13.593 -8.851 -0.411 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -14.483 -10.662 -2.703 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -14.844 -10.999 -1.022 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -13.758 -7.753 -2.617 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -12.070 -7.892 -2.073 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -12.698 -9.001 -3.315 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -16.759 -9.936 -2.133 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -16.117 -8.876 -0.855 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -15.751 -8.534 -2.563 1.00 0.00 H new ATOM 1784 N ALA A 114 -10.777 -9.216 0.567 1.00 0.00 N ATOM 1785 CA ALA A 114 -9.538 -8.604 1.021 1.00 0.00 C ATOM 1786 C ALA A 114 -8.404 -9.629 1.014 1.00 0.00 C ATOM 1787 O ALA A 114 -7.303 -9.326 0.562 1.00 0.00 O ATOM 1788 CB ALA A 114 -9.728 -8.020 2.425 1.00 0.00 C ATOM 0 H ALA A 114 -11.530 -9.177 1.254 1.00 0.00 H new ATOM 0 HA ALA A 114 -9.272 -7.796 0.339 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -8.796 -7.563 2.758 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -10.514 -7.265 2.402 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -10.009 -8.816 3.115 1.00 0.00 H new ATOM 1794 N ASP A 115 -8.671 -10.852 1.472 1.00 0.00 N ATOM 1795 CA ASP A 115 -7.655 -11.892 1.556 1.00 0.00 C ATOM 1796 C ASP A 115 -7.207 -12.367 0.173 1.00 0.00 C ATOM 1797 O ASP A 115 -6.014 -12.599 -0.030 1.00 0.00 O ATOM 1798 CB ASP A 115 -8.152 -13.077 2.383 1.00 0.00 C ATOM 1799 CG ASP A 115 -7.015 -14.087 2.560 1.00 0.00 C ATOM 1800 OD1 ASP A 115 -5.958 -13.687 3.099 1.00 0.00 O ATOM 1801 OD2 ASP A 115 -7.176 -15.266 2.177 1.00 0.00 O ATOM 0 H ASP A 115 -9.594 -11.145 1.793 1.00 0.00 H new ATOM 0 HA ASP A 115 -6.791 -11.452 2.054 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -8.503 -12.734 3.356 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -9.000 -13.550 1.887 1.00 0.00 H new ATOM 1806 N TRP A 116 -8.133 -12.451 -0.793 1.00 0.00 N ATOM 1807 CA TRP A 116 -7.794 -12.693 -2.192 1.00 0.00 C ATOM 1808 C TRP A 116 -6.871 -11.587 -2.705 1.00 0.00 C ATOM 1809 O TRP A 116 -5.847 -11.882 -3.321 1.00 0.00 O ATOM 1810 CB TRP A 116 -9.064 -12.786 -3.057 1.00 0.00 C ATOM 1811 CG TRP A 116 -8.813 -12.703 -4.536 1.00 0.00 C ATOM 1812 CD1 TRP A 116 -9.072 -11.634 -5.326 1.00 0.00 C ATOM 1813 CD2 TRP A 116 -8.155 -13.677 -5.404 1.00 0.00 C ATOM 1814 NE1 TRP A 116 -8.615 -11.880 -6.606 1.00 0.00 N ATOM 1815 CE2 TRP A 116 -8.026 -13.119 -6.708 1.00 0.00 C ATOM 1816 CE3 TRP A 116 -7.627 -14.969 -5.213 1.00 0.00 C ATOM 1817 CZ2 TRP A 116 -7.402 -13.803 -7.762 1.00 0.00 C ATOM 1818 CZ3 TRP A 116 -7.010 -15.674 -6.263 1.00 0.00 C ATOM 1819 CH2 TRP A 116 -6.892 -15.091 -7.537 1.00 0.00 C ATOM 0 H TRP A 116 -9.134 -12.353 -0.621 1.00 0.00 H new ATOM 0 HA TRP A 116 -7.272 -13.647 -2.262 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -9.570 -13.726 -2.839 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -9.744 -11.984 -2.770 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -9.562 -10.727 -5.004 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -8.703 -11.223 -7.381 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -7.697 -15.429 -4.238 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -7.315 -13.344 -8.736 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -6.625 -16.668 -6.089 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -6.411 -15.632 -8.339 1.00 0.00 H new ATOM 1830 N LEU A 117 -7.203 -10.320 -2.437 1.00 0.00 N ATOM 1831 CA LEU A 117 -6.409 -9.184 -2.898 1.00 0.00 C ATOM 1832 C LEU A 117 -5.009 -9.224 -2.271 1.00 0.00 C ATOM 1833 O LEU A 117 -4.027 -8.984 -2.974 1.00 0.00 O ATOM 1834 CB LEU A 117 -7.126 -7.862 -2.568 1.00 0.00 C ATOM 1835 CG LEU A 117 -8.385 -7.616 -3.425 1.00 0.00 C ATOM 1836 CD1 LEU A 117 -9.279 -6.563 -2.761 1.00 0.00 C ATOM 1837 CD2 LEU A 117 -8.024 -7.157 -4.842 1.00 0.00 C ATOM 0 H LEU A 117 -8.027 -10.057 -1.896 1.00 0.00 H new ATOM 0 HA LEU A 117 -6.297 -9.247 -3.980 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -7.407 -7.863 -1.515 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -6.431 -7.035 -2.711 1.00 0.00 H new ATOM 0 HG LEU A 117 -8.921 -8.562 -3.498 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -10.164 -6.398 -3.375 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -9.582 -6.913 -1.774 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -8.727 -5.628 -2.661 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -8.937 -6.994 -5.415 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -7.457 -6.227 -4.790 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -7.421 -7.923 -5.330 1.00 0.00 H new ATOM 1849 N TYR A 118 -4.887 -9.565 -0.982 1.00 0.00 N ATOM 1850 CA TYR A 118 -3.591 -9.701 -0.319 1.00 0.00 C ATOM 1851 C TYR A 118 -2.780 -10.834 -0.950 1.00 0.00 C ATOM 1852 O TYR A 118 -1.599 -10.655 -1.241 1.00 0.00 O ATOM 1853 CB TYR A 118 -3.758 -9.960 1.189 1.00 0.00 C ATOM 1854 CG TYR A 118 -4.510 -8.921 2.011 1.00 0.00 C ATOM 1855 CD1 TYR A 118 -4.563 -7.563 1.628 1.00 0.00 C ATOM 1856 CD2 TYR A 118 -5.150 -9.329 3.198 1.00 0.00 C ATOM 1857 CE1 TYR A 118 -5.267 -6.631 2.411 1.00 0.00 C ATOM 1858 CE2 TYR A 118 -5.857 -8.404 3.986 1.00 0.00 C ATOM 1859 CZ TYR A 118 -5.921 -7.047 3.593 1.00 0.00 C ATOM 1860 OH TYR A 118 -6.598 -6.133 4.344 1.00 0.00 O ATOM 0 H TYR A 118 -5.684 -9.753 -0.374 1.00 0.00 H new ATOM 0 HA TYR A 118 -3.056 -8.761 -0.450 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -4.268 -10.916 1.310 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -2.764 -10.073 1.621 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -4.060 -7.238 0.729 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -5.097 -10.363 3.506 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -5.308 -5.595 2.109 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -6.350 -8.729 4.890 1.00 0.00 H new ATOM 0 HH TYR A 118 -6.993 -6.578 5.123 1.00 0.00 H new ATOM 1870 N TRP A 119 -3.400 -11.989 -1.204 1.00 0.00 N ATOM 1871 CA TRP A 119 -2.751 -13.104 -1.886 1.00 0.00 C ATOM 1872 C TRP A 119 -2.292 -12.704 -3.293 1.00 0.00 C ATOM 1873 O TRP A 119 -1.205 -13.097 -3.717 1.00 0.00 O ATOM 1874 CB TRP A 119 -3.710 -14.302 -1.925 1.00 0.00 C ATOM 1875 CG TRP A 119 -3.552 -15.209 -3.101 1.00 0.00 C ATOM 1876 CD1 TRP A 119 -4.315 -15.150 -4.211 1.00 0.00 C ATOM 1877 CD2 TRP A 119 -2.560 -16.252 -3.351 1.00 0.00 C ATOM 1878 NE1 TRP A 119 -3.891 -16.092 -5.118 1.00 0.00 N ATOM 1879 CE2 TRP A 119 -2.810 -16.805 -4.643 1.00 0.00 C ATOM 1880 CE3 TRP A 119 -1.468 -16.779 -2.628 1.00 0.00 C ATOM 1881 CZ2 TRP A 119 -2.020 -17.831 -5.183 1.00 0.00 C ATOM 1882 CZ3 TRP A 119 -0.678 -17.819 -3.155 1.00 0.00 C ATOM 1883 CH2 TRP A 119 -0.953 -18.346 -4.429 1.00 0.00 C ATOM 0 H TRP A 119 -4.368 -12.175 -0.941 1.00 0.00 H new ATOM 0 HA TRP A 119 -1.856 -13.388 -1.333 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -3.572 -14.886 -1.015 1.00 0.00 H new ATOM 0 HB3 TRP A 119 -4.734 -13.927 -1.911 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -5.136 -14.465 -4.365 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -4.322 -16.245 -6.030 1.00 0.00 H new ATOM 0 HE3 TRP A 119 -1.234 -16.377 -1.653 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -2.230 -18.221 -6.168 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 0.144 -18.214 -2.577 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -0.345 -19.145 -4.827 1.00 0.00 H new ATOM 1894 N LEU A 120 -3.085 -11.909 -4.015 1.00 0.00 N ATOM 1895 CA LEU A 120 -2.721 -11.462 -5.350 1.00 0.00 C ATOM 1896 C LEU A 120 -1.458 -10.601 -5.251 1.00 0.00 C ATOM 1897 O LEU A 120 -0.488 -10.813 -5.981 1.00 0.00 O ATOM 1898 CB LEU A 120 -3.887 -10.667 -5.961 1.00 0.00 C ATOM 1899 CG LEU A 120 -3.712 -10.444 -7.474 1.00 0.00 C ATOM 1900 CD1 LEU A 120 -4.271 -11.633 -8.265 1.00 0.00 C ATOM 1901 CD2 LEU A 120 -4.445 -9.166 -7.887 1.00 0.00 C ATOM 0 H LEU A 120 -3.988 -11.563 -3.690 1.00 0.00 H new ATOM 0 HA LEU A 120 -2.518 -12.315 -5.997 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -4.821 -11.199 -5.780 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -3.968 -9.702 -5.461 1.00 0.00 H new ATOM 0 HG LEU A 120 -2.648 -10.350 -7.693 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -4.137 -11.455 -9.332 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -3.741 -12.542 -7.979 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -5.333 -11.748 -8.047 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -4.322 -9.006 -8.958 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -5.505 -9.263 -7.654 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -4.030 -8.317 -7.344 1.00 0.00 H new ATOM 1913 N ALA A 121 -1.461 -9.662 -4.299 1.00 0.00 N ATOM 1914 CA ALA A 121 -0.369 -8.737 -4.044 1.00 0.00 C ATOM 1915 C ALA A 121 0.904 -9.440 -3.552 1.00 0.00 C ATOM 1916 O ALA A 121 1.998 -8.983 -3.878 1.00 0.00 O ATOM 1917 CB ALA A 121 -0.850 -7.696 -3.032 1.00 0.00 C ATOM 0 H ALA A 121 -2.252 -9.527 -3.669 1.00 0.00 H new ATOM 0 HA ALA A 121 -0.094 -8.256 -4.983 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -0.045 -6.990 -2.825 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -1.707 -7.160 -3.441 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -1.141 -8.195 -2.108 1.00 0.00 H new