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+ 178:sc= 0.546 (180deg=-0.0153) USER MOD Set 1.2: A 93 TYR OH : rot 120:sc= 0.51 USER MOD Set 2.1: A 68 MET CE :methyl -175:sc= -0.12 (180deg=-0.192) USER MOD Set 2.2: A 74 CYS SG : rot 78:sc= 0.375 USER MOD Set 3.1: A 47 LYS NZ :NH3+ 159:sc= 1.06 (180deg=0) USER MOD Set 3.2: A 62 THR OG1 : rot 180:sc= 0.915 USER MOD Single : A 25 LYS NZ :NH3+ -121:sc= 1.18 (180deg=0.114) USER MOD Single : A 30 MET CE :methyl -146:sc= -0.353 (180deg=-1.67) 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= 0.726 USER MOD Single : A 39 THR OG1 : rot 71:sc= 1.29 USER MOD Single : A 45 MET CE :methyl -158:sc= -0.0741 (180deg=-0.444) USER MOD Single : A 49 LYS NZ :NH3+ -152:sc= 1.22 (180deg=1.1) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 161:sc= 0.369 (180deg=-0.18!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl -179:sc= -0.065 (180deg=-0.0668) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ -157:sc= 1.1 (180deg=0.72) USER MOD Single : A 98 SER OG : rot 169:sc= 2.04 USER MOD Single : A 109 THR OG1 : rot -40:sc= 0.407 USER MOD Single : A 110 GLN : amide:sc= -0.272 X(o=-0.27,f=-0.27) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 346 N ALA A 22 -4.706 -29.384 -4.327 1.00 0.00 N ATOM 347 CA ALA A 22 -4.518 -29.228 -5.762 1.00 0.00 C ATOM 348 C ALA A 22 -3.036 -29.019 -6.087 1.00 0.00 C ATOM 349 O ALA A 22 -2.254 -28.593 -5.233 1.00 0.00 O ATOM 350 CB ALA A 22 -5.369 -28.038 -6.212 1.00 0.00 C ATOM 0 HA ALA A 22 -4.832 -30.125 -6.295 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.252 -27.892 -7.286 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.417 -28.234 -5.985 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.045 -27.140 -5.686 1.00 0.00 H new ATOM 356 N GLU A 23 -2.654 -29.280 -7.341 1.00 0.00 N ATOM 357 CA GLU A 23 -1.251 -29.340 -7.766 1.00 0.00 C ATOM 358 C GLU A 23 -0.993 -28.655 -9.119 1.00 0.00 C ATOM 359 O GLU A 23 0.154 -28.606 -9.567 1.00 0.00 O ATOM 360 CB GLU A 23 -0.784 -30.809 -7.760 1.00 0.00 C ATOM 361 CG GLU A 23 -1.504 -31.695 -8.790 1.00 0.00 C ATOM 362 CD GLU A 23 -0.986 -33.144 -8.741 1.00 0.00 C ATOM 363 OE1 GLU A 23 -1.542 -33.973 -7.984 1.00 0.00 O ATOM 364 OE2 GLU A 23 -0.028 -33.481 -9.475 1.00 0.00 O ATOM 0 H GLU A 23 -3.316 -29.457 -8.097 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.658 -28.770 -7.051 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.288 -30.840 -7.955 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.940 -31.226 -6.765 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.577 -31.683 -8.596 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.356 -31.287 -9.790 1.00 0.00 H new ATOM 371 N ASP A 24 -2.026 -28.104 -9.765 1.00 0.00 N ATOM 372 CA ASP A 24 -1.924 -27.399 -11.046 1.00 0.00 C ATOM 373 C ASP A 24 -2.758 -26.126 -10.969 1.00 0.00 C ATOM 374 O ASP A 24 -3.751 -26.094 -10.244 1.00 0.00 O ATOM 375 CB ASP A 24 -2.439 -28.287 -12.190 1.00 0.00 C ATOM 376 CG ASP A 24 -2.449 -27.517 -13.519 1.00 0.00 C ATOM 377 OD1 ASP A 24 -1.384 -27.392 -14.159 1.00 0.00 O ATOM 378 OD2 ASP A 24 -3.507 -26.973 -13.906 1.00 0.00 O ATOM 0 H ASP A 24 -2.979 -28.137 -9.402 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.880 -27.154 -11.244 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.808 -29.171 -12.282 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.446 -28.636 -11.960 1.00 0.00 H new ATOM 383 N LYS A 25 -2.372 -25.094 -11.725 1.00 0.00 N ATOM 384 CA LYS A 25 -3.041 -23.792 -11.783 1.00 0.00 C ATOM 385 C LYS A 25 -4.573 -23.890 -11.874 1.00 0.00 C ATOM 386 O LYS A 25 -5.257 -23.111 -11.217 1.00 0.00 O ATOM 387 CB LYS A 25 -2.433 -22.984 -12.955 1.00 0.00 C ATOM 388 CG LYS A 25 -2.887 -23.534 -14.319 1.00 0.00 C ATOM 389 CD LYS A 25 -1.866 -23.551 -15.458 1.00 0.00 C ATOM 390 CE LYS A 25 -2.505 -24.310 -16.637 1.00 0.00 C ATOM 391 NZ LYS A 25 -2.671 -25.768 -16.394 1.00 0.00 N ATOM 0 H LYS A 25 -1.556 -25.145 -12.335 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.863 -23.271 -10.842 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.727 -21.938 -12.868 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.345 -23.015 -12.893 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.237 -24.555 -14.168 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -3.745 -22.948 -14.647 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.603 -22.535 -15.753 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.945 -24.040 -15.141 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.481 -23.874 -16.852 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.889 -24.167 -17.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.151 -26.302 -17.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.298 -26.008 -15.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.680 -26.015 -16.440 1.00 0.00 H new ATOM 405 N GLU A 26 -5.123 -24.830 -12.652 1.00 0.00 N ATOM 406 CA GLU A 26 -6.560 -24.923 -12.887 1.00 0.00 C ATOM 407 C GLU A 26 -7.225 -25.499 -11.637 1.00 0.00 C ATOM 408 O GLU A 26 -8.202 -24.949 -11.130 1.00 0.00 O ATOM 409 CB GLU A 26 -6.822 -25.815 -14.115 1.00 0.00 C ATOM 410 CG GLU A 26 -6.383 -25.149 -15.431 1.00 0.00 C ATOM 411 CD GLU A 26 -6.359 -26.136 -16.613 1.00 0.00 C ATOM 412 OE1 GLU A 26 -7.430 -26.639 -17.021 1.00 0.00 O ATOM 413 OE2 GLU A 26 -5.262 -26.386 -17.167 1.00 0.00 O ATOM 0 H GLU A 26 -4.580 -25.546 -13.134 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.980 -23.937 -13.088 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.291 -26.759 -13.994 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.885 -26.052 -14.168 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.061 -24.327 -15.662 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.390 -24.717 -15.302 1.00 0.00 H new ATOM 420 N GLU A 27 -6.649 -26.571 -11.090 1.00 0.00 N ATOM 421 CA GLU A 27 -7.137 -27.228 -9.884 1.00 0.00 C ATOM 422 C GLU A 27 -7.025 -26.273 -8.688 1.00 0.00 C ATOM 423 O GLU A 27 -7.904 -26.231 -7.830 1.00 0.00 O ATOM 424 CB GLU A 27 -6.334 -28.518 -9.644 1.00 0.00 C ATOM 425 CG GLU A 27 -6.427 -29.531 -10.796 1.00 0.00 C ATOM 426 CD GLU A 27 -7.859 -30.052 -11.016 1.00 0.00 C ATOM 427 OE1 GLU A 27 -8.344 -30.871 -10.203 1.00 0.00 O ATOM 428 OE2 GLU A 27 -8.507 -29.671 -12.017 1.00 0.00 O ATOM 0 H GLU A 27 -5.817 -27.012 -11.482 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.187 -27.493 -10.006 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.287 -28.259 -9.484 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.689 -28.990 -8.728 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -6.070 -29.065 -11.714 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.767 -30.373 -10.588 1.00 0.00 H new ATOM 435 N ARG A 28 -5.964 -25.466 -8.638 1.00 0.00 N ATOM 436 CA ARG A 28 -5.749 -24.494 -7.573 1.00 0.00 C ATOM 437 C ARG A 28 -6.697 -23.310 -7.715 1.00 0.00 C ATOM 438 O ARG A 28 -7.178 -22.817 -6.695 1.00 0.00 O ATOM 439 CB ARG A 28 -4.270 -24.070 -7.555 1.00 0.00 C ATOM 440 CG ARG A 28 -3.418 -25.231 -7.016 1.00 0.00 C ATOM 441 CD ARG A 28 -1.938 -24.910 -6.813 1.00 0.00 C ATOM 442 NE ARG A 28 -1.319 -25.971 -6.003 1.00 0.00 N ATOM 443 CZ ARG A 28 -0.018 -26.168 -5.779 1.00 0.00 C ATOM 444 NH1 ARG A 28 0.906 -25.360 -6.288 1.00 0.00 N ATOM 445 NH2 ARG A 28 0.329 -27.212 -5.034 1.00 0.00 N ATOM 0 H ARG A 28 -5.226 -25.471 -9.342 1.00 0.00 H new ATOM 0 HA ARG A 28 -5.976 -24.952 -6.610 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.944 -23.800 -8.560 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.140 -23.187 -6.930 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -3.837 -25.557 -6.064 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -3.500 -26.072 -7.705 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -1.435 -24.832 -7.777 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -1.828 -23.946 -6.317 1.00 0.00 H new ATOM 0 HE ARG A 28 -1.958 -26.632 -5.562 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.628 -24.567 -6.865 1.00 0.00 H new ATOM 0 HH12 ARG A 28 1.894 -25.533 -6.101 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -0.389 -27.830 -4.656 1.00 0.00 H new ATOM 0 HH22 ARG A 28 1.313 -27.396 -4.841 1.00 0.00 H new ATOM 459 N ALA A 29 -7.044 -22.898 -8.936 1.00 0.00 N ATOM 460 CA ALA A 29 -8.073 -21.892 -9.133 1.00 0.00 C ATOM 461 C ALA A 29 -9.421 -22.440 -8.658 1.00 0.00 C ATOM 462 O ALA A 29 -10.200 -21.699 -8.065 1.00 0.00 O ATOM 463 CB ALA A 29 -8.124 -21.458 -10.598 1.00 0.00 C ATOM 0 H ALA A 29 -6.625 -23.248 -9.797 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.836 -21.007 -8.542 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -8.900 -20.704 -10.727 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.160 -21.039 -10.887 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.348 -22.321 -11.225 1.00 0.00 H new ATOM 469 N MET A 30 -9.691 -23.737 -8.847 1.00 0.00 N ATOM 470 CA MET A 30 -10.880 -24.370 -8.288 1.00 0.00 C ATOM 471 C MET A 30 -10.828 -24.420 -6.763 1.00 0.00 C ATOM 472 O MET A 30 -11.844 -24.150 -6.135 1.00 0.00 O ATOM 473 CB MET A 30 -11.108 -25.758 -8.896 1.00 0.00 C ATOM 474 CG MET A 30 -11.481 -25.673 -10.378 1.00 0.00 C ATOM 475 SD MET A 30 -13.092 -24.898 -10.707 1.00 0.00 S ATOM 476 CE MET A 30 -12.624 -23.184 -11.087 1.00 0.00 C ATOM 0 H MET A 30 -9.096 -24.367 -9.386 1.00 0.00 H new ATOM 0 HA MET A 30 -11.737 -23.753 -8.556 1.00 0.00 H new ATOM 0 HB2 MET A 30 -10.205 -26.358 -8.782 1.00 0.00 H new ATOM 0 HB3 MET A 30 -11.901 -26.269 -8.350 1.00 0.00 H new ATOM 0 HG2 MET A 30 -10.708 -25.111 -10.902 1.00 0.00 H new ATOM 0 HG3 MET A 30 -11.484 -26.679 -10.797 1.00 0.00 H new ATOM 0 HE1 MET A 30 -13.398 -22.507 -10.726 1.00 0.00 H new ATOM 0 HE2 MET A 30 -11.679 -22.948 -10.598 1.00 0.00 H new ATOM 0 HE3 MET A 30 -12.514 -23.067 -12.165 1.00 0.00 H new ATOM 486 N GLY A 31 -9.671 -24.686 -6.154 1.00 0.00 N ATOM 487 CA GLY A 31 -9.502 -24.605 -4.702 1.00 0.00 C ATOM 488 C GLY A 31 -9.930 -23.232 -4.166 1.00 0.00 C ATOM 489 O GLY A 31 -10.799 -23.138 -3.287 1.00 0.00 O ATOM 0 H GLY A 31 -8.826 -24.963 -6.653 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -10.092 -25.385 -4.221 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -8.459 -24.789 -4.444 1.00 0.00 H new ATOM 493 N TRP A 32 -9.378 -22.170 -4.768 1.00 0.00 N ATOM 494 CA TRP A 32 -9.773 -20.799 -4.492 1.00 0.00 C ATOM 495 C TRP A 32 -11.281 -20.616 -4.682 1.00 0.00 C ATOM 496 O TRP A 32 -11.947 -20.116 -3.778 1.00 0.00 O ATOM 497 CB TRP A 32 -8.988 -19.821 -5.378 1.00 0.00 C ATOM 498 CG TRP A 32 -7.663 -19.408 -4.824 1.00 0.00 C ATOM 499 CD1 TRP A 32 -6.469 -19.988 -5.070 1.00 0.00 C ATOM 500 CD2 TRP A 32 -7.385 -18.320 -3.896 1.00 0.00 C ATOM 501 NE1 TRP A 32 -5.474 -19.331 -4.378 1.00 0.00 N ATOM 502 CE2 TRP A 32 -5.989 -18.316 -3.603 1.00 0.00 C ATOM 503 CE3 TRP A 32 -8.181 -17.342 -3.264 1.00 0.00 C ATOM 504 CZ2 TRP A 32 -5.419 -17.405 -2.705 1.00 0.00 C ATOM 505 CZ3 TRP A 32 -7.614 -16.412 -2.376 1.00 0.00 C ATOM 506 CH2 TRP A 32 -6.239 -16.439 -2.101 1.00 0.00 C ATOM 0 H TRP A 32 -8.638 -22.249 -5.466 1.00 0.00 H new ATOM 0 HA TRP A 32 -9.537 -20.580 -3.451 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -8.832 -20.280 -6.354 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -9.594 -18.929 -5.538 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -6.316 -20.841 -5.714 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -4.483 -19.567 -4.433 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -9.241 -17.307 -3.465 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -4.363 -17.445 -2.480 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -8.241 -15.672 -1.902 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -5.810 -15.715 -1.423 1.00 0.00 H new ATOM 517 N TYR A 33 -11.830 -21.047 -5.822 1.00 0.00 N ATOM 518 CA TYR A 33 -13.247 -20.906 -6.127 1.00 0.00 C ATOM 519 C TYR A 33 -14.107 -21.558 -5.044 1.00 0.00 C ATOM 520 O TYR A 33 -15.060 -20.933 -4.584 1.00 0.00 O ATOM 521 CB TYR A 33 -13.556 -21.511 -7.506 1.00 0.00 C ATOM 522 CG TYR A 33 -15.022 -21.465 -7.897 1.00 0.00 C ATOM 523 CD1 TYR A 33 -15.918 -22.439 -7.413 1.00 0.00 C ATOM 524 CD2 TYR A 33 -15.495 -20.445 -8.739 1.00 0.00 C ATOM 525 CE1 TYR A 33 -17.286 -22.370 -7.729 1.00 0.00 C ATOM 526 CE2 TYR A 33 -16.848 -20.405 -9.112 1.00 0.00 C ATOM 527 CZ TYR A 33 -17.757 -21.356 -8.595 1.00 0.00 C ATOM 528 OH TYR A 33 -19.075 -21.283 -8.934 1.00 0.00 O ATOM 0 H TYR A 33 -11.296 -21.506 -6.560 1.00 0.00 H new ATOM 0 HA TYR A 33 -13.490 -19.844 -6.151 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -12.975 -20.981 -8.260 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -13.222 -22.548 -7.517 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -15.551 -23.245 -6.795 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -14.815 -19.688 -9.101 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -17.975 -23.089 -7.312 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -17.195 -19.645 -9.796 1.00 0.00 H new ATOM 0 HH TYR A 33 -19.216 -20.523 -9.536 1.00 0.00 H new ATOM 538 N TYR A 34 -13.791 -22.793 -4.637 1.00 0.00 N ATOM 539 CA TYR A 34 -14.645 -23.568 -3.751 1.00 0.00 C ATOM 540 C TYR A 34 -14.797 -22.863 -2.409 1.00 0.00 C ATOM 541 O TYR A 34 -15.934 -22.648 -1.979 1.00 0.00 O ATOM 542 CB TYR A 34 -14.109 -24.997 -3.548 1.00 0.00 C ATOM 543 CG TYR A 34 -14.096 -25.912 -4.766 1.00 0.00 C ATOM 544 CD1 TYR A 34 -15.193 -25.961 -5.653 1.00 0.00 C ATOM 545 CD2 TYR A 34 -12.993 -26.762 -4.984 1.00 0.00 C ATOM 546 CE1 TYR A 34 -15.169 -26.817 -6.769 1.00 0.00 C ATOM 547 CE2 TYR A 34 -12.964 -27.625 -6.093 1.00 0.00 C ATOM 548 CZ TYR A 34 -14.049 -27.651 -6.997 1.00 0.00 C ATOM 549 OH TYR A 34 -14.008 -28.487 -8.073 1.00 0.00 O ATOM 0 H TYR A 34 -12.937 -23.276 -4.916 1.00 0.00 H new ATOM 0 HA TYR A 34 -15.624 -23.647 -4.224 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -13.090 -24.925 -3.168 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -14.706 -25.475 -2.772 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -16.056 -25.337 -5.474 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -12.163 -26.750 -4.293 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -16.006 -26.838 -7.452 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.112 -28.269 -6.254 1.00 0.00 H new ATOM 0 HH TYR A 34 -13.163 -28.983 -8.070 1.00 0.00 H new ATOM 559 N TYR A 35 -13.692 -22.482 -1.749 1.00 0.00 N ATOM 560 CA TYR A 35 -13.843 -21.834 -0.446 1.00 0.00 C ATOM 561 C TYR A 35 -14.436 -20.427 -0.624 1.00 0.00 C ATOM 562 O TYR A 35 -15.242 -20.003 0.205 1.00 0.00 O ATOM 563 CB TYR A 35 -12.538 -21.829 0.372 1.00 0.00 C ATOM 564 CG TYR A 35 -11.776 -20.526 0.283 1.00 0.00 C ATOM 565 CD1 TYR A 35 -10.961 -20.288 -0.832 1.00 0.00 C ATOM 566 CD2 TYR A 35 -12.011 -19.498 1.219 1.00 0.00 C ATOM 567 CE1 TYR A 35 -10.408 -19.017 -1.041 1.00 0.00 C ATOM 568 CE2 TYR A 35 -11.458 -18.222 1.019 1.00 0.00 C ATOM 569 CZ TYR A 35 -10.666 -17.970 -0.126 1.00 0.00 C ATOM 570 OH TYR A 35 -10.171 -16.725 -0.361 1.00 0.00 O ATOM 0 H TYR A 35 -12.734 -22.604 -2.077 1.00 0.00 H new ATOM 0 HA TYR A 35 -14.544 -22.424 0.144 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -12.772 -22.033 1.417 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -11.898 -22.640 0.025 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -10.759 -21.085 -1.532 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -12.617 -19.692 2.091 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -9.783 -18.837 -1.903 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -11.637 -17.436 1.737 1.00 0.00 H new ATOM 0 HH TYR A 35 -9.422 -16.784 -0.990 1.00 0.00 H new ATOM 580 N LEU A 36 -14.064 -19.702 -1.689 1.00 0.00 N ATOM 581 CA LEU A 36 -14.495 -18.324 -1.885 1.00 0.00 C ATOM 582 C LEU A 36 -16.004 -18.279 -2.096 1.00 0.00 C ATOM 583 O LEU A 36 -16.682 -17.532 -1.400 1.00 0.00 O ATOM 584 CB LEU A 36 -13.746 -17.695 -3.071 1.00 0.00 C ATOM 585 CG LEU A 36 -14.153 -16.240 -3.373 1.00 0.00 C ATOM 586 CD1 LEU A 36 -13.890 -15.294 -2.193 1.00 0.00 C ATOM 587 CD2 LEU A 36 -13.371 -15.747 -4.593 1.00 0.00 C ATOM 0 H LEU A 36 -13.460 -20.058 -2.430 1.00 0.00 H new ATOM 0 HA LEU A 36 -14.257 -17.742 -0.995 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.675 -17.727 -2.869 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -13.920 -18.302 -3.960 1.00 0.00 H new ATOM 0 HG LEU A 36 -15.226 -16.233 -3.563 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -14.196 -14.283 -2.462 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -14.460 -15.627 -1.326 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -12.827 -15.300 -1.952 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -13.653 -14.718 -4.814 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -12.302 -15.794 -4.383 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -13.600 -16.378 -5.452 1.00 0.00 H new ATOM 599 N ASP A 37 -16.544 -19.099 -2.999 1.00 0.00 N ATOM 600 CA ASP A 37 -17.978 -19.154 -3.279 1.00 0.00 C ATOM 601 C ASP A 37 -18.767 -19.526 -2.023 1.00 0.00 C ATOM 602 O ASP A 37 -19.820 -18.946 -1.758 1.00 0.00 O ATOM 603 CB ASP A 37 -18.261 -20.176 -4.384 1.00 0.00 C ATOM 604 CG ASP A 37 -19.769 -20.261 -4.669 1.00 0.00 C ATOM 605 OD1 ASP A 37 -20.317 -19.326 -5.293 1.00 0.00 O ATOM 606 OD2 ASP A 37 -20.401 -21.274 -4.295 1.00 0.00 O ATOM 0 H ASP A 37 -15.993 -19.748 -3.561 1.00 0.00 H new ATOM 0 HA ASP A 37 -18.295 -18.165 -3.609 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -17.729 -19.894 -5.293 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -17.886 -21.155 -4.086 1.00 0.00 H new ATOM 611 N ASP A 38 -18.232 -20.450 -1.218 1.00 0.00 N ATOM 612 CA ASP A 38 -18.818 -20.831 0.068 1.00 0.00 C ATOM 613 C ASP A 38 -18.762 -19.703 1.114 1.00 0.00 C ATOM 614 O ASP A 38 -19.596 -19.668 2.020 1.00 0.00 O ATOM 615 CB ASP A 38 -18.113 -22.082 0.607 1.00 0.00 C ATOM 616 CG ASP A 38 -18.717 -22.542 1.945 1.00 0.00 C ATOM 617 OD1 ASP A 38 -19.863 -23.046 1.953 1.00 0.00 O ATOM 618 OD2 ASP A 38 -18.033 -22.452 2.989 1.00 0.00 O ATOM 0 H ASP A 38 -17.376 -20.956 -1.443 1.00 0.00 H new ATOM 0 HA ASP A 38 -19.873 -21.040 -0.111 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -18.191 -22.887 -0.124 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -17.051 -21.873 0.739 1.00 0.00 H new ATOM 623 N THR A 39 -17.817 -18.765 0.992 1.00 0.00 N ATOM 624 CA THR A 39 -17.606 -17.694 1.966 1.00 0.00 C ATOM 625 C THR A 39 -18.363 -16.417 1.577 1.00 0.00 C ATOM 626 O THR A 39 -18.881 -15.737 2.465 1.00 0.00 O ATOM 627 CB THR A 39 -16.095 -17.420 2.106 1.00 0.00 C ATOM 628 OG1 THR A 39 -15.420 -18.604 2.484 1.00 0.00 O ATOM 629 CG2 THR A 39 -15.788 -16.338 3.150 1.00 0.00 C ATOM 0 H THR A 39 -17.170 -18.730 0.204 1.00 0.00 H new ATOM 0 HA THR A 39 -18.004 -18.017 2.928 1.00 0.00 H new ATOM 0 HB THR A 39 -15.751 -17.068 1.133 1.00 0.00 H new ATOM 0 HG1 THR A 39 -15.410 -19.230 1.730 1.00 0.00 H new ATOM 0 HG21 THR A 39 -14.710 -16.184 3.209 1.00 0.00 H new ATOM 0 HG22 THR A 39 -16.272 -15.405 2.861 1.00 0.00 H new ATOM 0 HG23 THR A 39 -16.163 -16.655 4.123 1.00 0.00 H new ATOM 637 N LEU A 40 -18.432 -16.082 0.282 1.00 0.00 N ATOM 638 CA LEU A 40 -19.045 -14.848 -0.199 1.00 0.00 C ATOM 639 C LEU A 40 -20.504 -14.792 0.247 1.00 0.00 C ATOM 640 O LEU A 40 -21.307 -15.657 -0.102 1.00 0.00 O ATOM 641 CB LEU A 40 -18.973 -14.735 -1.735 1.00 0.00 C ATOM 642 CG LEU A 40 -17.593 -14.421 -2.346 1.00 0.00 C ATOM 643 CD1 LEU A 40 -17.702 -14.458 -3.874 1.00 0.00 C ATOM 644 CD2 LEU A 40 -17.005 -13.080 -1.912 1.00 0.00 C ATOM 0 H LEU A 40 -18.059 -16.669 -0.464 1.00 0.00 H new ATOM 0 HA LEU A 40 -18.489 -14.012 0.226 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -19.327 -15.673 -2.161 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -19.669 -13.958 -2.051 1.00 0.00 H new ATOM 0 HG LEU A 40 -16.910 -15.185 -1.974 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -16.729 -14.237 -4.314 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -18.027 -15.449 -4.192 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -18.427 -13.715 -4.205 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -16.034 -12.938 -2.387 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -17.676 -12.275 -2.210 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -16.884 -13.069 -0.829 1.00 0.00 H new ATOM 656 N GLU A 41 -20.860 -13.730 0.962 1.00 0.00 N ATOM 657 CA GLU A 41 -22.211 -13.366 1.348 1.00 0.00 C ATOM 658 C GLU A 41 -22.915 -12.714 0.141 1.00 0.00 C ATOM 659 O GLU A 41 -23.390 -11.580 0.192 1.00 0.00 O ATOM 660 CB GLU A 41 -22.084 -12.462 2.586 1.00 0.00 C ATOM 661 CG GLU A 41 -23.402 -12.120 3.273 1.00 0.00 C ATOM 662 CD GLU A 41 -24.086 -13.347 3.902 1.00 0.00 C ATOM 663 OE1 GLU A 41 -24.882 -14.024 3.213 1.00 0.00 O ATOM 664 OE2 GLU A 41 -23.855 -13.636 5.098 1.00 0.00 O ATOM 0 H GLU A 41 -20.169 -13.063 1.306 1.00 0.00 H new ATOM 0 HA GLU A 41 -22.835 -14.217 1.621 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -21.431 -12.951 3.309 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -21.594 -11.534 2.291 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -23.219 -11.375 4.048 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -24.077 -11.666 2.547 1.00 0.00 H new ATOM 671 N PHE A 42 -22.880 -13.393 -1.007 1.00 0.00 N ATOM 672 CA PHE A 42 -23.503 -12.915 -2.236 1.00 0.00 C ATOM 673 C PHE A 42 -25.041 -12.982 -2.138 1.00 0.00 C ATOM 674 O PHE A 42 -25.562 -13.846 -1.425 1.00 0.00 O ATOM 675 CB PHE A 42 -22.949 -13.677 -3.454 1.00 0.00 C ATOM 676 CG PHE A 42 -23.371 -15.131 -3.593 1.00 0.00 C ATOM 677 CD1 PHE A 42 -24.608 -15.454 -4.186 1.00 0.00 C ATOM 678 CD2 PHE A 42 -22.517 -16.168 -3.169 1.00 0.00 C ATOM 679 CE1 PHE A 42 -24.998 -16.797 -4.330 1.00 0.00 C ATOM 680 CE2 PHE A 42 -22.907 -17.511 -3.312 1.00 0.00 C ATOM 681 CZ PHE A 42 -24.148 -17.827 -3.890 1.00 0.00 C ATOM 0 H PHE A 42 -22.415 -14.295 -1.108 1.00 0.00 H new ATOM 0 HA PHE A 42 -23.248 -11.864 -2.376 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -23.253 -13.146 -4.356 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -21.860 -13.640 -3.414 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -25.260 -14.665 -4.532 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -21.558 -15.930 -2.732 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -25.951 -17.038 -4.779 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -22.252 -18.301 -2.977 1.00 0.00 H new ATOM 0 HZ PHE A 42 -24.448 -18.859 -3.996 1.00 0.00 H new ATOM 691 N PRO A 43 -25.786 -12.129 -2.871 1.00 0.00 N ATOM 692 CA PRO A 43 -25.290 -10.978 -3.621 1.00 0.00 C ATOM 693 C PRO A 43 -24.824 -9.867 -2.665 1.00 0.00 C ATOM 694 O PRO A 43 -25.350 -9.719 -1.559 1.00 0.00 O ATOM 695 CB PRO A 43 -26.469 -10.522 -4.486 1.00 0.00 C ATOM 696 CG PRO A 43 -27.690 -10.917 -3.658 1.00 0.00 C ATOM 697 CD PRO A 43 -27.238 -12.202 -2.963 1.00 0.00 C ATOM 0 HA PRO A 43 -24.424 -11.227 -4.234 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -26.440 -9.448 -4.671 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -26.467 -11.014 -5.459 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -27.957 -10.143 -2.939 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -28.565 -11.085 -4.286 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -27.686 -12.287 -1.973 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -27.548 -13.080 -3.530 1.00 0.00 H new ATOM 705 N PHE A 44 -23.849 -9.075 -3.109 1.00 0.00 N ATOM 706 CA PHE A 44 -23.282 -7.945 -2.374 1.00 0.00 C ATOM 707 C PHE A 44 -23.013 -6.812 -3.366 1.00 0.00 C ATOM 708 O PHE A 44 -23.455 -6.898 -4.511 1.00 0.00 O ATOM 709 CB PHE A 44 -22.037 -8.386 -1.582 1.00 0.00 C ATOM 710 CG PHE A 44 -20.803 -8.804 -2.371 1.00 0.00 C ATOM 711 CD1 PHE A 44 -20.694 -10.104 -2.901 1.00 0.00 C ATOM 712 CD2 PHE A 44 -19.718 -7.917 -2.506 1.00 0.00 C ATOM 713 CE1 PHE A 44 -19.526 -10.508 -3.570 1.00 0.00 C ATOM 714 CE2 PHE A 44 -18.558 -8.310 -3.195 1.00 0.00 C ATOM 715 CZ PHE A 44 -18.458 -9.608 -3.723 1.00 0.00 C ATOM 0 H PHE A 44 -23.417 -9.207 -4.023 1.00 0.00 H new ATOM 0 HA PHE A 44 -23.982 -7.571 -1.627 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -21.751 -7.566 -0.924 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -22.325 -9.221 -0.944 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -21.515 -10.797 -2.792 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -19.778 -6.928 -2.077 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -19.449 -11.510 -3.966 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -17.742 -7.613 -3.319 1.00 0.00 H new ATOM 0 HZ PHE A 44 -17.563 -9.913 -4.245 1.00 0.00 H new ATOM 725 N MET A 45 -22.314 -5.744 -2.975 1.00 0.00 N ATOM 726 CA MET A 45 -21.989 -4.657 -3.893 1.00 0.00 C ATOM 727 C MET A 45 -20.518 -4.271 -3.824 1.00 0.00 C ATOM 728 O MET A 45 -19.789 -4.639 -2.903 1.00 0.00 O ATOM 729 CB MET A 45 -22.929 -3.457 -3.679 1.00 0.00 C ATOM 730 CG MET A 45 -22.605 -2.592 -2.450 1.00 0.00 C ATOM 731 SD MET A 45 -23.011 -0.832 -2.641 1.00 0.00 S ATOM 732 CE MET A 45 -21.776 -0.335 -3.883 1.00 0.00 C ATOM 0 H MET A 45 -21.963 -5.611 -2.027 1.00 0.00 H new ATOM 0 HA MET A 45 -22.155 -5.017 -4.908 1.00 0.00 H new ATOM 0 HB2 MET A 45 -22.897 -2.826 -4.567 1.00 0.00 H new ATOM 0 HB3 MET A 45 -23.950 -3.826 -3.586 1.00 0.00 H new ATOM 0 HG2 MET A 45 -23.148 -2.986 -1.591 1.00 0.00 H new ATOM 0 HG3 MET A 45 -21.542 -2.685 -2.226 1.00 0.00 H new ATOM 0 HE1 MET A 45 -21.620 0.742 -3.830 1.00 0.00 H new ATOM 0 HE2 MET A 45 -20.835 -0.849 -3.686 1.00 0.00 H new ATOM 0 HE3 MET A 45 -22.133 -0.601 -4.878 1.00 0.00 H new ATOM 742 N GLY A 46 -20.090 -3.491 -4.805 1.00 0.00 N ATOM 743 CA GLY A 46 -18.729 -3.025 -4.897 1.00 0.00 C ATOM 744 C GLY A 46 -18.605 -1.900 -5.897 1.00 0.00 C ATOM 745 O GLY A 46 -19.578 -1.466 -6.520 1.00 0.00 O ATOM 0 H GLY A 46 -20.689 -3.165 -5.563 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -18.391 -2.684 -3.918 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -18.078 -3.849 -5.190 1.00 0.00 H new ATOM 749 N LYS A 47 -17.371 -1.445 -6.052 1.00 0.00 N ATOM 750 CA LYS A 47 -16.979 -0.527 -7.102 1.00 0.00 C ATOM 751 C LYS A 47 -16.020 -1.296 -7.998 1.00 0.00 C ATOM 752 O LYS A 47 -15.012 -1.816 -7.522 1.00 0.00 O ATOM 753 CB LYS A 47 -16.338 0.727 -6.483 1.00 0.00 C ATOM 754 CG LYS A 47 -16.260 1.895 -7.479 1.00 0.00 C ATOM 755 CD LYS A 47 -17.595 2.642 -7.623 1.00 0.00 C ATOM 756 CE LYS A 47 -17.894 3.555 -6.423 1.00 0.00 C ATOM 757 NZ LYS A 47 -19.071 4.427 -6.670 1.00 0.00 N ATOM 0 H LYS A 47 -16.601 -1.711 -5.438 1.00 0.00 H new ATOM 0 HA LYS A 47 -17.826 -0.173 -7.689 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -16.915 1.034 -5.611 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -15.335 0.484 -6.132 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -15.490 2.595 -7.153 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -15.954 1.516 -8.454 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -17.576 3.240 -8.534 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -18.402 1.918 -7.734 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -18.074 2.944 -5.538 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -17.022 4.174 -6.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -19.457 4.754 -5.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -18.781 5.248 -7.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -19.799 3.890 -7.183 1.00 0.00 H new ATOM 771 N TRP A 48 -16.340 -1.397 -9.281 1.00 0.00 N ATOM 772 CA TRP A 48 -15.429 -1.905 -10.291 1.00 0.00 C ATOM 773 C TRP A 48 -14.441 -0.771 -10.545 1.00 0.00 C ATOM 774 O TRP A 48 -14.803 0.248 -11.135 1.00 0.00 O ATOM 775 CB TRP A 48 -16.222 -2.326 -11.540 1.00 0.00 C ATOM 776 CG TRP A 48 -15.487 -3.071 -12.618 1.00 0.00 C ATOM 777 CD1 TRP A 48 -14.147 -3.204 -12.741 1.00 0.00 C ATOM 778 CD2 TRP A 48 -16.046 -3.804 -13.754 1.00 0.00 C ATOM 779 NE1 TRP A 48 -13.842 -3.975 -13.837 1.00 0.00 N ATOM 780 CE2 TRP A 48 -14.974 -4.397 -14.489 1.00 0.00 C ATOM 781 CE3 TRP A 48 -17.351 -4.024 -14.247 1.00 0.00 C ATOM 782 CZ2 TRP A 48 -15.183 -5.187 -15.626 1.00 0.00 C ATOM 783 CZ3 TRP A 48 -17.576 -4.814 -15.392 1.00 0.00 C ATOM 784 CH2 TRP A 48 -16.495 -5.400 -16.074 1.00 0.00 C ATOM 0 H TRP A 48 -17.251 -1.125 -9.651 1.00 0.00 H new ATOM 0 HA TRP A 48 -14.888 -2.800 -9.982 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -17.057 -2.946 -11.213 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -16.648 -1.427 -11.985 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -13.420 -2.767 -12.073 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -12.892 -4.205 -14.130 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -18.192 -3.578 -13.737 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -14.347 -5.626 -16.150 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -18.584 -4.970 -15.747 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -16.675 -6.015 -16.944 1.00 0.00 H new ATOM 795 N LYS A 49 -13.216 -0.920 -10.040 1.00 0.00 N ATOM 796 CA LYS A 49 -12.128 0.055 -10.136 1.00 0.00 C ATOM 797 C LYS A 49 -11.419 -0.155 -11.484 1.00 0.00 C ATOM 798 O LYS A 49 -10.204 -0.348 -11.528 1.00 0.00 O ATOM 799 CB LYS A 49 -11.158 -0.148 -8.947 1.00 0.00 C ATOM 800 CG LYS A 49 -11.796 -0.208 -7.546 1.00 0.00 C ATOM 801 CD LYS A 49 -12.480 1.085 -7.078 1.00 0.00 C ATOM 802 CE LYS A 49 -11.514 2.247 -6.797 1.00 0.00 C ATOM 803 NZ LYS A 49 -10.573 1.954 -5.685 1.00 0.00 N ATOM 0 H LYS A 49 -12.943 -1.760 -9.530 1.00 0.00 H new ATOM 0 HA LYS A 49 -12.505 1.077 -10.089 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -10.605 -1.073 -9.111 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -10.431 0.664 -8.957 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -12.531 -1.013 -7.534 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -11.023 -0.472 -6.824 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -13.196 1.399 -7.838 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -13.049 0.874 -6.172 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -10.945 2.468 -7.700 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -12.088 3.141 -6.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -10.293 2.843 -5.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -11.038 1.335 -4.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -9.728 1.478 -6.061 1.00 0.00 H new ATOM 817 N LYS A 50 -12.194 -0.204 -12.571 1.00 0.00 N ATOM 818 CA LYS A 50 -11.746 -0.622 -13.894 1.00 0.00 C ATOM 819 C LYS A 50 -10.510 0.164 -14.314 1.00 0.00 C ATOM 820 O LYS A 50 -10.581 1.381 -14.467 1.00 0.00 O ATOM 821 CB LYS A 50 -12.905 -0.479 -14.892 1.00 0.00 C ATOM 822 CG LYS A 50 -12.531 -1.059 -16.265 1.00 0.00 C ATOM 823 CD LYS A 50 -13.699 -1.040 -17.265 1.00 0.00 C ATOM 824 CE LYS A 50 -14.821 -2.007 -16.855 1.00 0.00 C ATOM 825 NZ LYS A 50 -15.915 -2.067 -17.857 1.00 0.00 N ATOM 0 H LYS A 50 -13.180 0.055 -12.549 1.00 0.00 H new ATOM 0 HA LYS A 50 -11.452 -1.671 -13.873 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -13.786 -0.991 -14.506 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -13.169 0.573 -14.998 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -11.697 -0.491 -16.678 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -12.186 -2.085 -16.138 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -14.099 -0.029 -17.336 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.333 -1.308 -18.256 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -14.404 -3.005 -16.717 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -15.230 -1.697 -15.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -16.646 -2.732 -17.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -16.333 -1.122 -17.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -15.533 -2.389 -18.769 1.00 0.00 H new ATOM 976 N GLU A 59 -11.056 3.961 -13.488 1.00 0.00 N ATOM 977 CA GLU A 59 -12.427 4.421 -13.611 1.00 0.00 C ATOM 978 C GLU A 59 -13.223 3.623 -12.575 1.00 0.00 C ATOM 979 O GLU A 59 -12.820 2.525 -12.181 1.00 0.00 O ATOM 980 CB GLU A 59 -12.954 4.181 -15.037 1.00 0.00 C ATOM 981 CG GLU A 59 -12.294 5.077 -16.099 1.00 0.00 C ATOM 982 CD GLU A 59 -12.524 6.588 -15.891 1.00 0.00 C ATOM 983 OE1 GLU A 59 -13.566 6.998 -15.330 1.00 0.00 O ATOM 984 OE2 GLU A 59 -11.674 7.386 -16.346 1.00 0.00 O ATOM 0 HA GLU A 59 -12.516 5.493 -13.433 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.792 3.137 -15.304 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -14.031 4.350 -15.050 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -11.221 4.883 -16.105 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -12.674 4.796 -17.081 1.00 0.00 H new ATOM 991 N GLU A 60 -14.351 4.164 -12.120 1.00 0.00 N ATOM 992 CA GLU A 60 -15.083 3.630 -10.979 1.00 0.00 C ATOM 993 C GLU A 60 -16.556 3.479 -11.362 1.00 0.00 C ATOM 994 O GLU A 60 -17.231 4.473 -11.641 1.00 0.00 O ATOM 995 CB GLU A 60 -14.896 4.577 -9.779 1.00 0.00 C ATOM 996 CG GLU A 60 -13.447 4.614 -9.268 1.00 0.00 C ATOM 997 CD GLU A 60 -13.311 5.534 -8.043 1.00 0.00 C ATOM 998 OE1 GLU A 60 -13.042 6.745 -8.212 1.00 0.00 O ATOM 999 OE2 GLU A 60 -13.456 5.050 -6.898 1.00 0.00 O ATOM 0 H GLU A 60 -14.783 4.989 -12.536 1.00 0.00 H new ATOM 0 HA GLU A 60 -14.705 2.647 -10.696 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -15.201 5.583 -10.066 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -15.554 4.263 -8.969 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -13.125 3.606 -9.006 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -12.787 4.963 -10.063 1.00 0.00 H new ATOM 1006 N LYS A 61 -17.056 2.238 -11.369 1.00 0.00 N ATOM 1007 CA LYS A 61 -18.446 1.916 -11.709 1.00 0.00 C ATOM 1008 C LYS A 61 -19.057 1.157 -10.541 1.00 0.00 C ATOM 1009 O LYS A 61 -18.511 0.136 -10.131 1.00 0.00 O ATOM 1010 CB LYS A 61 -18.460 1.086 -13.006 1.00 0.00 C ATOM 1011 CG LYS A 61 -19.860 0.589 -13.397 1.00 0.00 C ATOM 1012 CD LYS A 61 -19.844 -0.165 -14.740 1.00 0.00 C ATOM 1013 CE LYS A 61 -19.890 0.758 -15.969 1.00 0.00 C ATOM 1014 NZ LYS A 61 -21.154 1.536 -16.055 1.00 0.00 N ATOM 0 H LYS A 61 -16.498 1.417 -11.135 1.00 0.00 H new ATOM 0 HA LYS A 61 -19.036 2.816 -11.882 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -18.057 1.689 -13.819 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -17.798 0.228 -12.887 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -20.244 -0.067 -12.616 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -20.541 1.437 -13.464 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -18.945 -0.779 -14.791 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -20.696 -0.844 -14.775 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -19.046 1.447 -15.933 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -19.774 0.159 -16.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -21.017 2.352 -16.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -21.910 0.930 -16.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -21.421 1.871 -15.107 1.00 0.00 H new ATOM 1028 N THR A 62 -20.150 1.649 -9.970 1.00 0.00 N ATOM 1029 CA THR A 62 -20.837 0.962 -8.885 1.00 0.00 C ATOM 1030 C THR A 62 -21.526 -0.285 -9.451 1.00 0.00 C ATOM 1031 O THR A 62 -22.203 -0.206 -10.478 1.00 0.00 O ATOM 1032 CB THR A 62 -21.827 1.936 -8.225 1.00 0.00 C ATOM 1033 OG1 THR A 62 -21.232 3.219 -8.102 1.00 0.00 O ATOM 1034 CG2 THR A 62 -22.204 1.480 -6.818 1.00 0.00 C ATOM 0 H THR A 62 -20.583 2.531 -10.245 1.00 0.00 H new ATOM 0 HA THR A 62 -20.138 0.634 -8.115 1.00 0.00 H new ATOM 0 HB THR A 62 -22.715 1.967 -8.856 1.00 0.00 H new ATOM 0 HG1 THR A 62 -21.868 3.836 -7.683 1.00 0.00 H new ATOM 0 HG21 THR A 62 -22.905 2.191 -6.381 1.00 0.00 H new ATOM 0 HG22 THR A 62 -22.669 0.495 -6.867 1.00 0.00 H new ATOM 0 HG23 THR A 62 -21.308 1.427 -6.200 1.00 0.00 H new ATOM 1042 N VAL A 63 -21.364 -1.429 -8.788 1.00 0.00 N ATOM 1043 CA VAL A 63 -21.869 -2.706 -9.274 1.00 0.00 C ATOM 1044 C VAL A 63 -22.445 -3.529 -8.122 1.00 0.00 C ATOM 1045 O VAL A 63 -21.956 -3.462 -6.993 1.00 0.00 O ATOM 1046 CB VAL A 63 -20.761 -3.474 -10.031 1.00 0.00 C ATOM 1047 CG1 VAL A 63 -20.359 -2.788 -11.346 1.00 0.00 C ATOM 1048 CG2 VAL A 63 -19.483 -3.712 -9.206 1.00 0.00 C ATOM 0 H VAL A 63 -20.876 -1.493 -7.895 1.00 0.00 H new ATOM 0 HA VAL A 63 -22.679 -2.519 -9.979 1.00 0.00 H new ATOM 0 HB VAL A 63 -21.221 -4.440 -10.239 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -19.578 -3.370 -11.836 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -21.227 -2.721 -12.002 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -19.986 -1.786 -11.134 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -18.757 -4.256 -9.809 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -19.060 -2.753 -8.906 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -19.727 -4.295 -8.318 1.00 0.00 H new ATOM 1058 N GLU A 64 -23.482 -4.316 -8.408 1.00 0.00 N ATOM 1059 CA GLU A 64 -24.001 -5.319 -7.490 1.00 0.00 C ATOM 1060 C GLU A 64 -23.351 -6.625 -7.937 1.00 0.00 C ATOM 1061 O GLU A 64 -23.543 -7.048 -9.077 1.00 0.00 O ATOM 1062 CB GLU A 64 -25.536 -5.364 -7.546 1.00 0.00 C ATOM 1063 CG GLU A 64 -26.120 -6.263 -6.448 1.00 0.00 C ATOM 1064 CD GLU A 64 -27.658 -6.193 -6.416 1.00 0.00 C ATOM 1065 OE1 GLU A 64 -28.328 -6.928 -7.174 1.00 0.00 O ATOM 1066 OE2 GLU A 64 -28.215 -5.412 -5.610 1.00 0.00 O ATOM 0 H GLU A 64 -23.987 -4.272 -9.293 1.00 0.00 H new ATOM 0 HA GLU A 64 -23.766 -5.106 -6.447 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -25.933 -4.355 -7.439 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -25.854 -5.730 -8.522 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -25.806 -7.293 -6.615 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -25.721 -5.961 -5.480 1.00 0.00 H new ATOM 1073 N VAL A 65 -22.518 -7.212 -7.086 1.00 0.00 N ATOM 1074 CA VAL A 65 -21.810 -8.448 -7.363 1.00 0.00 C ATOM 1075 C VAL A 65 -22.795 -9.570 -7.040 1.00 0.00 C ATOM 1076 O VAL A 65 -23.160 -9.781 -5.880 1.00 0.00 O ATOM 1077 CB VAL A 65 -20.504 -8.517 -6.546 1.00 0.00 C ATOM 1078 CG1 VAL A 65 -19.663 -9.701 -7.040 1.00 0.00 C ATOM 1079 CG2 VAL A 65 -19.659 -7.234 -6.680 1.00 0.00 C ATOM 0 H VAL A 65 -22.314 -6.829 -6.163 1.00 0.00 H new ATOM 0 HA VAL A 65 -21.491 -8.529 -8.402 1.00 0.00 H new ATOM 0 HB VAL A 65 -20.782 -8.634 -5.499 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -18.738 -9.755 -6.466 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -20.225 -10.626 -6.910 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -19.427 -9.565 -8.095 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -18.750 -7.333 -6.086 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -19.394 -7.081 -7.726 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -20.235 -6.380 -6.323 1.00 0.00 H new ATOM 1089 N LEU A 66 -23.287 -10.241 -8.080 1.00 0.00 N ATOM 1090 CA LEU A 66 -24.391 -11.186 -7.967 1.00 0.00 C ATOM 1091 C LEU A 66 -23.933 -12.521 -7.380 1.00 0.00 C ATOM 1092 O LEU A 66 -24.723 -13.195 -6.721 1.00 0.00 O ATOM 1093 CB LEU A 66 -25.038 -11.421 -9.343 1.00 0.00 C ATOM 1094 CG LEU A 66 -25.524 -10.153 -10.075 1.00 0.00 C ATOM 1095 CD1 LEU A 66 -26.228 -10.559 -11.372 1.00 0.00 C ATOM 1096 CD2 LEU A 66 -26.475 -9.304 -9.225 1.00 0.00 C ATOM 0 H LEU A 66 -22.927 -10.142 -9.029 1.00 0.00 H new ATOM 0 HA LEU A 66 -25.125 -10.750 -7.289 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -24.318 -11.934 -9.981 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -25.886 -12.093 -9.216 1.00 0.00 H new ATOM 0 HG LEU A 66 -24.646 -9.542 -10.284 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -26.574 -9.666 -11.893 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -25.531 -11.104 -12.009 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -27.081 -11.196 -11.139 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -26.784 -8.426 -9.792 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -27.353 -9.894 -8.963 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -25.965 -8.988 -8.315 1.00 0.00 H new ATOM 1108 N GLY A 67 -22.679 -12.911 -7.620 1.00 0.00 N ATOM 1109 CA GLY A 67 -22.117 -14.189 -7.236 1.00 0.00 C ATOM 1110 C GLY A 67 -20.898 -14.452 -8.111 1.00 0.00 C ATOM 1111 O GLY A 67 -20.542 -13.635 -8.965 1.00 0.00 O ATOM 0 H GLY A 67 -22.009 -12.315 -8.106 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -21.835 -14.180 -6.183 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -22.854 -14.982 -7.362 1.00 0.00 H new ATOM 1115 N MET A 68 -20.251 -15.592 -7.906 1.00 0.00 N ATOM 1116 CA MET A 68 -19.160 -16.040 -8.767 1.00 0.00 C ATOM 1117 C MET A 68 -19.675 -16.314 -10.184 1.00 0.00 C ATOM 1118 O MET A 68 -20.828 -16.715 -10.375 1.00 0.00 O ATOM 1119 CB MET A 68 -18.506 -17.308 -8.201 1.00 0.00 C ATOM 1120 CG MET A 68 -17.755 -17.080 -6.883 1.00 0.00 C ATOM 1121 SD MET A 68 -16.361 -15.918 -6.952 1.00 0.00 S ATOM 1122 CE MET A 68 -15.224 -16.831 -8.027 1.00 0.00 C ATOM 0 H MET A 68 -20.466 -16.232 -7.141 1.00 0.00 H new ATOM 0 HA MET A 68 -18.413 -15.247 -8.805 1.00 0.00 H new ATOM 0 HB2 MET A 68 -19.276 -18.064 -8.044 1.00 0.00 H new ATOM 0 HB3 MET A 68 -17.812 -17.709 -8.940 1.00 0.00 H new ATOM 0 HG2 MET A 68 -18.466 -16.719 -6.140 1.00 0.00 H new ATOM 0 HG3 MET A 68 -17.384 -18.041 -6.528 1.00 0.00 H new ATOM 0 HE1 MET A 68 -14.279 -16.292 -8.098 1.00 0.00 H new ATOM 0 HE2 MET A 68 -15.046 -17.822 -7.610 1.00 0.00 H new ATOM 0 HE3 MET A 68 -15.662 -16.929 -9.020 1.00 0.00 H new ATOM 1132 N ALA A 69 -18.802 -16.115 -11.172 1.00 0.00 N ATOM 1133 CA ALA A 69 -19.027 -16.525 -12.554 1.00 0.00 C ATOM 1134 C ALA A 69 -19.000 -18.066 -12.647 1.00 0.00 C ATOM 1135 O ALA A 69 -18.631 -18.720 -11.666 1.00 0.00 O ATOM 1136 CB ALA A 69 -17.934 -15.883 -13.414 1.00 0.00 C ATOM 0 H ALA A 69 -17.903 -15.656 -11.029 1.00 0.00 H new ATOM 0 HA ALA A 69 -20.003 -16.197 -12.913 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -18.075 -16.171 -14.456 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -17.992 -14.798 -13.326 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -16.956 -16.222 -13.073 1.00 0.00 H new ATOM 1142 N PRO A 70 -19.363 -18.670 -13.797 1.00 0.00 N ATOM 1143 CA PRO A 70 -19.185 -20.100 -14.026 1.00 0.00 C ATOM 1144 C PRO A 70 -17.769 -20.570 -13.684 1.00 0.00 C ATOM 1145 O PRO A 70 -16.787 -19.855 -13.911 1.00 0.00 O ATOM 1146 CB PRO A 70 -19.519 -20.331 -15.503 1.00 0.00 C ATOM 1147 CG PRO A 70 -20.509 -19.209 -15.808 1.00 0.00 C ATOM 1148 CD PRO A 70 -19.976 -18.053 -14.964 1.00 0.00 C ATOM 0 HA PRO A 70 -19.837 -20.682 -13.375 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -18.631 -20.269 -16.133 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -19.959 -21.314 -15.669 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -20.526 -18.961 -16.869 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -21.527 -19.480 -15.527 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -19.249 -17.463 -15.522 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -20.780 -17.377 -14.673 1.00 0.00 H new ATOM 1156 N ASP A 71 -17.659 -21.806 -13.195 1.00 0.00 N ATOM 1157 CA ASP A 71 -16.379 -22.415 -12.839 1.00 0.00 C ATOM 1158 C ASP A 71 -15.420 -22.452 -14.029 1.00 0.00 C ATOM 1159 O ASP A 71 -14.213 -22.356 -13.830 1.00 0.00 O ATOM 1160 CB ASP A 71 -16.563 -23.829 -12.270 1.00 0.00 C ATOM 1161 CG ASP A 71 -16.840 -24.888 -13.353 1.00 0.00 C ATOM 1162 OD1 ASP A 71 -17.973 -24.924 -13.884 1.00 0.00 O ATOM 1163 OD2 ASP A 71 -15.947 -25.711 -13.653 1.00 0.00 O ATOM 0 H ASP A 71 -18.461 -22.415 -13.034 1.00 0.00 H new ATOM 0 HA ASP A 71 -15.941 -21.786 -12.064 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -15.667 -24.110 -11.717 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -17.388 -23.822 -11.558 1.00 0.00 H new ATOM 1168 N ASP A 72 -15.948 -22.531 -15.256 1.00 0.00 N ATOM 1169 CA ASP A 72 -15.152 -22.550 -16.482 1.00 0.00 C ATOM 1170 C ASP A 72 -14.428 -21.219 -16.715 1.00 0.00 C ATOM 1171 O ASP A 72 -13.298 -21.210 -17.202 1.00 0.00 O ATOM 1172 CB ASP A 72 -16.051 -22.864 -17.681 1.00 0.00 C ATOM 1173 CG ASP A 72 -15.241 -22.894 -18.989 1.00 0.00 C ATOM 1174 OD1 ASP A 72 -14.503 -23.877 -19.223 1.00 0.00 O ATOM 1175 OD2 ASP A 72 -15.376 -21.962 -19.813 1.00 0.00 O ATOM 0 H ASP A 72 -16.953 -22.584 -15.424 1.00 0.00 H new ATOM 0 HA ASP A 72 -14.395 -23.326 -16.371 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -16.540 -23.826 -17.530 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -16.839 -22.114 -17.755 1.00 0.00 H new ATOM 1180 N GLU A 73 -15.044 -20.093 -16.331 1.00 0.00 N ATOM 1181 CA GLU A 73 -14.371 -18.796 -16.340 1.00 0.00 C ATOM 1182 C GLU A 73 -13.326 -18.778 -15.221 1.00 0.00 C ATOM 1183 O GLU A 73 -12.205 -18.301 -15.402 1.00 0.00 O ATOM 1184 CB GLU A 73 -15.374 -17.646 -16.123 1.00 0.00 C ATOM 1185 CG GLU A 73 -16.506 -17.570 -17.161 1.00 0.00 C ATOM 1186 CD GLU A 73 -16.011 -17.430 -18.614 1.00 0.00 C ATOM 1187 OE1 GLU A 73 -15.081 -16.637 -18.886 1.00 0.00 O ATOM 1188 OE2 GLU A 73 -16.584 -18.083 -19.515 1.00 0.00 O ATOM 0 H GLU A 73 -16.011 -20.059 -16.010 1.00 0.00 H new ATOM 0 HA GLU A 73 -13.897 -18.653 -17.311 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -15.816 -17.751 -15.132 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -14.829 -16.702 -16.131 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -17.120 -18.467 -17.081 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -17.148 -16.722 -16.923 1.00 0.00 H new ATOM 1195 N CYS A 74 -13.682 -19.338 -14.063 1.00 0.00 N ATOM 1196 CA CYS A 74 -12.894 -19.255 -12.843 1.00 0.00 C ATOM 1197 C CYS A 74 -11.693 -20.214 -12.805 1.00 0.00 C ATOM 1198 O CYS A 74 -11.132 -20.437 -11.734 1.00 0.00 O ATOM 1199 CB CYS A 74 -13.804 -19.432 -11.626 1.00 0.00 C ATOM 1200 SG CYS A 74 -15.130 -18.188 -11.649 1.00 0.00 S ATOM 0 H CYS A 74 -14.544 -19.871 -13.950 1.00 0.00 H new ATOM 0 HA CYS A 74 -12.450 -18.260 -12.820 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -14.235 -20.433 -11.627 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -13.221 -19.336 -10.710 1.00 0.00 H new ATOM 0 HG CYS A 74 -16.042 -18.541 -12.506 1.00 0.00 H new ATOM 1206 N LEU A 75 -11.282 -20.785 -13.942 1.00 0.00 N ATOM 1207 CA LEU A 75 -10.126 -21.681 -14.038 1.00 0.00 C ATOM 1208 C LEU A 75 -8.794 -20.921 -13.967 1.00 0.00 C ATOM 1209 O LEU A 75 -7.745 -21.564 -13.909 1.00 0.00 O ATOM 1210 CB LEU A 75 -10.188 -22.510 -15.339 1.00 0.00 C ATOM 1211 CG LEU A 75 -11.277 -23.600 -15.360 1.00 0.00 C ATOM 1212 CD1 LEU A 75 -11.376 -24.213 -16.761 1.00 0.00 C ATOM 1213 CD2 LEU A 75 -11.015 -24.734 -14.356 1.00 0.00 C ATOM 0 H LEU A 75 -11.751 -20.635 -14.835 1.00 0.00 H new ATOM 0 HA LEU A 75 -10.172 -22.350 -13.179 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -10.355 -21.833 -16.177 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -9.219 -22.982 -15.499 1.00 0.00 H new ATOM 0 HG LEU A 75 -12.207 -23.107 -15.077 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -12.148 -24.983 -16.768 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -11.632 -23.436 -17.481 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -10.418 -24.657 -17.032 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -11.817 -25.469 -14.420 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -10.064 -25.213 -14.589 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -10.978 -24.325 -13.346 1.00 0.00 H new ATOM 1225 N LYS A 76 -8.806 -19.581 -13.987 1.00 0.00 N ATOM 1226 CA LYS A 76 -7.584 -18.771 -13.993 1.00 0.00 C ATOM 1227 C LYS A 76 -7.676 -17.503 -13.150 1.00 0.00 C ATOM 1228 O LYS A 76 -6.640 -17.019 -12.700 1.00 0.00 O ATOM 1229 CB LYS A 76 -7.183 -18.439 -15.443 1.00 0.00 C ATOM 1230 CG LYS A 76 -8.225 -17.602 -16.215 1.00 0.00 C ATOM 1231 CD LYS A 76 -7.779 -17.261 -17.646 1.00 0.00 C ATOM 1232 CE LYS A 76 -7.672 -18.509 -18.537 1.00 0.00 C ATOM 1233 NZ LYS A 76 -7.300 -18.170 -19.934 1.00 0.00 N ATOM 0 H LYS A 76 -9.664 -19.030 -13.999 1.00 0.00 H new ATOM 0 HA LYS A 76 -6.809 -19.376 -13.523 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -6.237 -17.898 -15.431 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -7.011 -19.371 -15.982 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.166 -18.150 -16.254 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -8.417 -16.678 -15.670 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.488 -16.561 -18.088 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -6.813 -16.757 -17.613 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -6.929 -19.189 -18.120 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -8.625 -19.038 -18.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -7.239 -19.041 -20.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.021 -17.542 -20.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -6.378 -17.689 -19.941 1.00 0.00 H new ATOM 1247 N ASP A 77 -8.867 -16.953 -12.925 1.00 0.00 N ATOM 1248 CA ASP A 77 -9.068 -15.703 -12.186 1.00 0.00 C ATOM 1249 C ASP A 77 -10.451 -15.774 -11.549 1.00 0.00 C ATOM 1250 O ASP A 77 -11.336 -16.425 -12.104 1.00 0.00 O ATOM 1251 CB ASP A 77 -8.979 -14.508 -13.147 1.00 0.00 C ATOM 1252 CG ASP A 77 -9.273 -13.173 -12.443 1.00 0.00 C ATOM 1253 OD1 ASP A 77 -10.448 -12.752 -12.402 1.00 0.00 O ATOM 1254 OD2 ASP A 77 -8.316 -12.539 -11.942 1.00 0.00 O ATOM 0 H ASP A 77 -9.737 -17.369 -13.256 1.00 0.00 H new ATOM 0 HA ASP A 77 -8.303 -15.573 -11.421 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -7.983 -14.472 -13.588 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -9.685 -14.649 -13.965 1.00 0.00 H new ATOM 1259 N MET A 78 -10.646 -15.165 -10.380 1.00 0.00 N ATOM 1260 CA MET A 78 -11.928 -15.186 -9.686 1.00 0.00 C ATOM 1261 C MET A 78 -12.881 -14.197 -10.368 1.00 0.00 C ATOM 1262 O MET A 78 -12.995 -13.041 -9.960 1.00 0.00 O ATOM 1263 CB MET A 78 -11.725 -14.891 -8.189 1.00 0.00 C ATOM 1264 CG MET A 78 -10.952 -15.999 -7.457 1.00 0.00 C ATOM 1265 SD MET A 78 -11.712 -17.654 -7.456 1.00 0.00 S ATOM 1266 CE MET A 78 -10.796 -18.463 -8.799 1.00 0.00 C ATOM 0 H MET A 78 -9.919 -14.644 -9.890 1.00 0.00 H new ATOM 0 HA MET A 78 -12.381 -16.176 -9.746 1.00 0.00 H new ATOM 0 HB2 MET A 78 -11.188 -13.949 -8.080 1.00 0.00 H new ATOM 0 HB3 MET A 78 -12.698 -14.761 -7.715 1.00 0.00 H new ATOM 0 HG2 MET A 78 -9.962 -16.078 -7.906 1.00 0.00 H new ATOM 0 HG3 MET A 78 -10.809 -15.689 -6.422 1.00 0.00 H new ATOM 0 HE1 MET A 78 -11.164 -19.481 -8.929 1.00 0.00 H new ATOM 0 HE2 MET A 78 -10.938 -17.905 -9.724 1.00 0.00 H new ATOM 0 HE3 MET A 78 -9.735 -18.490 -8.551 1.00 0.00 H new ATOM 1276 N TYR A 79 -13.554 -14.637 -11.431 1.00 0.00 N ATOM 1277 CA TYR A 79 -14.562 -13.838 -12.113 1.00 0.00 C ATOM 1278 C TYR A 79 -15.871 -13.870 -11.316 1.00 0.00 C ATOM 1279 O TYR A 79 -16.200 -14.873 -10.676 1.00 0.00 O ATOM 1280 CB TYR A 79 -14.787 -14.387 -13.527 1.00 0.00 C ATOM 1281 CG TYR A 79 -13.715 -14.020 -14.534 1.00 0.00 C ATOM 1282 CD1 TYR A 79 -13.761 -12.767 -15.176 1.00 0.00 C ATOM 1283 CD2 TYR A 79 -12.703 -14.940 -14.865 1.00 0.00 C ATOM 1284 CE1 TYR A 79 -12.807 -12.439 -16.154 1.00 0.00 C ATOM 1285 CE2 TYR A 79 -11.744 -14.619 -15.841 1.00 0.00 C ATOM 1286 CZ TYR A 79 -11.789 -13.362 -16.488 1.00 0.00 C ATOM 1287 OH TYR A 79 -10.867 -13.029 -17.436 1.00 0.00 O ATOM 0 H TYR A 79 -13.412 -15.560 -11.841 1.00 0.00 H new ATOM 0 HA TYR A 79 -14.219 -12.806 -12.187 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -14.856 -15.473 -13.472 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -15.748 -14.024 -13.893 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -14.532 -12.057 -14.916 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -12.663 -15.897 -14.367 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -12.851 -11.481 -16.651 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -10.974 -15.331 -16.097 1.00 0.00 H new ATOM 0 HH TYR A 79 -10.234 -13.768 -17.551 1.00 0.00 H new ATOM 1297 N VAL A 80 -16.654 -12.797 -11.409 1.00 0.00 N ATOM 1298 CA VAL A 80 -17.925 -12.640 -10.712 1.00 0.00 C ATOM 1299 C VAL A 80 -18.957 -12.082 -11.691 1.00 0.00 C ATOM 1300 O VAL A 80 -18.619 -11.292 -12.574 1.00 0.00 O ATOM 1301 CB VAL A 80 -17.758 -11.742 -9.464 1.00 0.00 C ATOM 1302 CG1 VAL A 80 -17.004 -12.467 -8.340 1.00 0.00 C ATOM 1303 CG2 VAL A 80 -17.050 -10.402 -9.737 1.00 0.00 C ATOM 0 H VAL A 80 -16.414 -11.992 -11.987 1.00 0.00 H new ATOM 0 HA VAL A 80 -18.276 -13.607 -10.352 1.00 0.00 H new ATOM 0 HB VAL A 80 -18.780 -11.520 -9.158 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -16.907 -11.804 -7.481 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -17.557 -13.360 -8.048 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -16.013 -12.753 -8.692 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -16.974 -9.835 -8.809 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -16.051 -10.592 -10.129 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -17.623 -9.830 -10.467 1.00 0.00 H new ATOM 1313 N GLU A 81 -20.216 -12.493 -11.551 1.00 0.00 N ATOM 1314 CA GLU A 81 -21.322 -11.876 -12.275 1.00 0.00 C ATOM 1315 C GLU A 81 -21.645 -10.562 -11.569 1.00 0.00 C ATOM 1316 O GLU A 81 -21.572 -10.475 -10.339 1.00 0.00 O ATOM 1317 CB GLU A 81 -22.550 -12.797 -12.291 1.00 0.00 C ATOM 1318 CG GLU A 81 -22.318 -14.057 -13.134 1.00 0.00 C ATOM 1319 CD GLU A 81 -23.615 -14.866 -13.314 1.00 0.00 C ATOM 1320 OE1 GLU A 81 -24.046 -15.565 -12.369 1.00 0.00 O ATOM 1321 OE2 GLU A 81 -24.211 -14.825 -14.415 1.00 0.00 O ATOM 0 H GLU A 81 -20.495 -13.258 -10.937 1.00 0.00 H new ATOM 0 HA GLU A 81 -21.044 -11.699 -13.314 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -22.799 -13.086 -11.270 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -23.407 -12.251 -12.685 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -21.926 -13.774 -14.111 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -21.563 -14.681 -12.656 1.00 0.00 H new ATOM 1328 N VAL A 82 -22.010 -9.536 -12.333 1.00 0.00 N ATOM 1329 CA VAL A 82 -22.136 -8.183 -11.828 1.00 0.00 C ATOM 1330 C VAL A 82 -23.274 -7.502 -12.574 1.00 0.00 C ATOM 1331 O VAL A 82 -23.420 -7.683 -13.779 1.00 0.00 O ATOM 1332 CB VAL A 82 -20.761 -7.481 -11.992 1.00 0.00 C ATOM 1333 CG1 VAL A 82 -20.766 -6.188 -12.820 1.00 0.00 C ATOM 1334 CG2 VAL A 82 -20.123 -7.254 -10.618 1.00 0.00 C ATOM 0 H VAL A 82 -22.227 -9.627 -13.326 1.00 0.00 H new ATOM 0 HA VAL A 82 -22.388 -8.145 -10.768 1.00 0.00 H new ATOM 0 HB VAL A 82 -20.157 -8.169 -12.584 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -19.755 -5.784 -12.869 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -21.120 -6.403 -13.828 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -21.426 -5.458 -12.351 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -19.159 -6.761 -10.742 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -20.777 -6.626 -10.013 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -19.979 -8.213 -10.121 1.00 0.00 H new ATOM 1344 N ALA A 83 -24.046 -6.683 -11.874 1.00 0.00 N ATOM 1345 CA ALA A 83 -25.078 -5.843 -12.466 1.00 0.00 C ATOM 1346 C ALA A 83 -24.661 -4.389 -12.296 1.00 0.00 C ATOM 1347 O ALA A 83 -24.194 -3.993 -11.225 1.00 0.00 O ATOM 1348 CB ALA A 83 -26.434 -6.130 -11.821 1.00 0.00 C ATOM 0 H ALA A 83 -23.972 -6.582 -10.862 1.00 0.00 H new ATOM 0 HA ALA A 83 -25.186 -6.059 -13.529 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -27.194 -5.494 -12.274 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -26.696 -7.177 -11.976 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -26.379 -5.924 -10.752 1.00 0.00 H new ATOM 1354 N ASP A 84 -24.807 -3.599 -13.358 1.00 0.00 N ATOM 1355 CA ASP A 84 -24.303 -2.229 -13.441 1.00 0.00 C ATOM 1356 C ASP A 84 -25.264 -1.247 -12.778 1.00 0.00 C ATOM 1357 O ASP A 84 -25.889 -0.417 -13.435 1.00 0.00 O ATOM 1358 CB ASP A 84 -24.037 -1.862 -14.904 1.00 0.00 C ATOM 1359 CG ASP A 84 -23.500 -0.436 -15.062 1.00 0.00 C ATOM 1360 OD1 ASP A 84 -22.958 0.145 -14.099 1.00 0.00 O ATOM 1361 OD2 ASP A 84 -23.573 0.102 -16.189 1.00 0.00 O ATOM 0 H ASP A 84 -25.290 -3.900 -14.204 1.00 0.00 H new ATOM 0 HA ASP A 84 -23.361 -2.166 -12.896 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -23.320 -2.566 -15.327 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -24.960 -1.965 -15.475 1.00 0.00 H new ATOM 1366 N ILE A 85 -25.432 -1.362 -11.464 1.00 0.00 N ATOM 1367 CA ILE A 85 -26.268 -0.451 -10.679 1.00 0.00 C ATOM 1368 C ILE A 85 -25.807 1.017 -10.787 1.00 0.00 C ATOM 1369 O ILE A 85 -26.589 1.925 -10.500 1.00 0.00 O ATOM 1370 CB ILE A 85 -26.388 -0.930 -9.215 1.00 0.00 C ATOM 1371 CG1 ILE A 85 -25.041 -0.919 -8.463 1.00 0.00 C ATOM 1372 CG2 ILE A 85 -27.051 -2.321 -9.184 1.00 0.00 C ATOM 1373 CD1 ILE A 85 -25.159 -1.202 -6.959 1.00 0.00 C ATOM 0 H ILE A 85 -24.990 -2.094 -10.908 1.00 0.00 H new ATOM 0 HA ILE A 85 -27.269 -0.476 -11.111 1.00 0.00 H new ATOM 0 HB ILE A 85 -27.020 -0.220 -8.681 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -24.381 -1.662 -8.911 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -24.567 0.053 -8.603 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -27.136 -2.660 -8.152 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -28.044 -2.261 -9.630 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -26.442 -3.027 -9.749 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -24.168 -1.176 -6.505 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -25.791 -0.445 -6.495 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -25.602 -2.186 -6.808 1.00 0.00 H new ATOM 1385 N GLY A 86 -24.568 1.262 -11.227 1.00 0.00 N ATOM 1386 CA GLY A 86 -24.021 2.587 -11.481 1.00 0.00 C ATOM 1387 C GLY A 86 -24.364 3.120 -12.877 1.00 0.00 C ATOM 1388 O GLY A 86 -24.013 4.263 -13.177 1.00 0.00 O ATOM 0 H GLY A 86 -23.901 0.515 -11.421 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -24.400 3.280 -10.730 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -22.937 2.555 -11.367 1.00 0.00 H new ATOM 1392 N GLY A 87 -25.035 2.337 -13.728 1.00 0.00 N ATOM 1393 CA GLY A 87 -25.323 2.697 -15.108 1.00 0.00 C ATOM 1394 C GLY A 87 -26.579 1.995 -15.607 1.00 0.00 C ATOM 1395 O GLY A 87 -27.682 2.508 -15.401 1.00 0.00 O ATOM 0 H GLY A 87 -25.397 1.420 -13.466 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -25.451 3.777 -15.186 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -24.477 2.429 -15.741 1.00 0.00 H new ATOM 1399 N LYS A 88 -26.426 0.849 -16.284 1.00 0.00 N ATOM 1400 CA LYS A 88 -27.539 0.177 -16.967 1.00 0.00 C ATOM 1401 C LYS A 88 -28.660 -0.221 -16.006 1.00 0.00 C ATOM 1402 O LYS A 88 -29.824 -0.171 -16.397 1.00 0.00 O ATOM 1403 CB LYS A 88 -27.055 -1.067 -17.735 1.00 0.00 C ATOM 1404 CG LYS A 88 -25.964 -0.823 -18.779 1.00 0.00 C ATOM 1405 CD LYS A 88 -26.425 0.114 -19.901 1.00 0.00 C ATOM 1406 CE LYS A 88 -25.291 0.316 -20.905 1.00 0.00 C ATOM 1407 NZ LYS A 88 -25.044 -0.877 -21.754 1.00 0.00 N ATOM 0 H LYS A 88 -25.533 0.364 -16.373 1.00 0.00 H new ATOM 0 HA LYS A 88 -27.942 0.902 -17.674 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -26.684 -1.795 -17.013 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -27.913 -1.520 -18.232 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -25.087 -0.397 -18.291 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -25.657 -1.776 -19.209 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -27.297 -0.306 -20.403 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -26.729 1.074 -19.484 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -25.527 1.167 -21.544 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -24.377 0.566 -20.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -24.288 -0.667 -22.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -24.757 -1.677 -21.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -25.914 -1.124 -22.267 1.00 0.00 H new ATOM 1421 N ASP A 89 -28.307 -0.614 -14.779 1.00 0.00 N ATOM 1422 CA ASP A 89 -29.136 -1.049 -13.645 1.00 0.00 C ATOM 1423 C ASP A 89 -30.010 -2.289 -13.878 1.00 0.00 C ATOM 1424 O ASP A 89 -30.288 -3.030 -12.936 1.00 0.00 O ATOM 1425 CB ASP A 89 -29.963 0.128 -13.109 1.00 0.00 C ATOM 1426 CG ASP A 89 -30.787 -0.265 -11.872 1.00 0.00 C ATOM 1427 OD1 ASP A 89 -30.204 -0.409 -10.775 1.00 0.00 O ATOM 1428 OD2 ASP A 89 -32.029 -0.376 -11.979 1.00 0.00 O ATOM 0 H ASP A 89 -27.319 -0.639 -14.525 1.00 0.00 H new ATOM 0 HA ASP A 89 -28.422 -1.383 -12.892 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -29.297 0.953 -12.855 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -30.632 0.488 -13.891 1.00 0.00 H new ATOM 1433 N ASP A 90 -30.386 -2.568 -15.124 1.00 0.00 N ATOM 1434 CA ASP A 90 -31.333 -3.611 -15.521 1.00 0.00 C ATOM 1435 C ASP A 90 -30.646 -4.695 -16.365 1.00 0.00 C ATOM 1436 O ASP A 90 -31.305 -5.569 -16.929 1.00 0.00 O ATOM 1437 CB ASP A 90 -32.472 -2.938 -16.298 1.00 0.00 C ATOM 1438 CG ASP A 90 -33.633 -3.896 -16.623 1.00 0.00 C ATOM 1439 OD1 ASP A 90 -34.204 -4.509 -15.691 1.00 0.00 O ATOM 1440 OD2 ASP A 90 -34.033 -3.990 -17.806 1.00 0.00 O ATOM 0 H ASP A 90 -30.022 -2.049 -15.923 1.00 0.00 H new ATOM 0 HA ASP A 90 -31.729 -4.112 -14.638 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -32.854 -2.099 -15.716 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -32.077 -2.528 -17.227 1.00 0.00 H new ATOM 1445 N ASP A 91 -29.313 -4.650 -16.456 1.00 0.00 N ATOM 1446 CA ASP A 91 -28.512 -5.616 -17.213 1.00 0.00 C ATOM 1447 C ASP A 91 -27.292 -6.064 -16.408 1.00 0.00 C ATOM 1448 O ASP A 91 -26.895 -5.420 -15.431 1.00 0.00 O ATOM 1449 CB ASP A 91 -28.100 -5.044 -18.579 1.00 0.00 C ATOM 1450 CG ASP A 91 -27.658 -6.119 -19.595 1.00 0.00 C ATOM 1451 OD1 ASP A 91 -27.933 -7.323 -19.392 1.00 0.00 O ATOM 1452 OD2 ASP A 91 -27.066 -5.751 -20.633 1.00 0.00 O ATOM 0 H ASP A 91 -28.752 -3.931 -15.999 1.00 0.00 H new ATOM 0 HA ASP A 91 -29.130 -6.495 -17.397 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -28.938 -4.485 -18.996 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -27.284 -4.336 -18.435 1.00 0.00 H new ATOM 1457 N VAL A 92 -26.700 -7.172 -16.844 1.00 0.00 N ATOM 1458 CA VAL A 92 -25.675 -7.929 -16.140 1.00 0.00 C ATOM 1459 C VAL A 92 -24.497 -8.192 -17.089 1.00 0.00 C ATOM 1460 O VAL A 92 -24.683 -8.410 -18.290 1.00 0.00 O ATOM 1461 CB VAL A 92 -26.310 -9.247 -15.623 1.00 0.00 C ATOM 1462 CG1 VAL A 92 -25.344 -10.141 -14.831 1.00 0.00 C ATOM 1463 CG2 VAL A 92 -27.542 -8.987 -14.735 1.00 0.00 C ATOM 0 H VAL A 92 -26.936 -7.586 -17.746 1.00 0.00 H new ATOM 0 HA VAL A 92 -25.290 -7.372 -15.286 1.00 0.00 H new ATOM 0 HB VAL A 92 -26.597 -9.771 -16.535 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -25.865 -11.041 -14.506 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -24.502 -10.419 -15.465 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -24.978 -9.599 -13.959 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -27.953 -9.938 -14.396 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -27.249 -8.390 -13.871 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -28.297 -8.449 -15.308 1.00 0.00 H new ATOM 1473 N TYR A 93 -23.292 -8.203 -16.522 1.00 0.00 N ATOM 1474 CA TYR A 93 -22.019 -8.484 -17.167 1.00 0.00 C ATOM 1475 C TYR A 93 -21.210 -9.416 -16.249 1.00 0.00 C ATOM 1476 O TYR A 93 -21.694 -9.844 -15.196 1.00 0.00 O ATOM 1477 CB TYR A 93 -21.283 -7.153 -17.413 1.00 0.00 C ATOM 1478 CG TYR A 93 -22.048 -6.173 -18.284 1.00 0.00 C ATOM 1479 CD1 TYR A 93 -21.997 -6.299 -19.685 1.00 0.00 C ATOM 1480 CD2 TYR A 93 -22.833 -5.159 -17.698 1.00 0.00 C ATOM 1481 CE1 TYR A 93 -22.726 -5.419 -20.501 1.00 0.00 C ATOM 1482 CE2 TYR A 93 -23.568 -4.276 -18.509 1.00 0.00 C ATOM 1483 CZ TYR A 93 -23.516 -4.401 -19.918 1.00 0.00 C ATOM 1484 OH TYR A 93 -24.217 -3.544 -20.715 1.00 0.00 O ATOM 0 H TYR A 93 -23.176 -8.001 -15.529 1.00 0.00 H new ATOM 0 HA TYR A 93 -22.159 -8.977 -18.129 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -21.075 -6.682 -16.452 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -20.321 -7.363 -17.880 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -21.395 -7.075 -20.134 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -22.870 -5.060 -16.623 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -22.683 -5.520 -21.575 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -24.172 -3.503 -18.057 1.00 0.00 H new ATOM 0 HH TYR A 93 -25.173 -3.619 -20.515 1.00 0.00 H new ATOM 1494 N THR A 94 -19.963 -9.702 -16.618 1.00 0.00 N ATOM 1495 CA THR A 94 -19.011 -10.412 -15.771 1.00 0.00 C ATOM 1496 C THR A 94 -17.838 -9.458 -15.524 1.00 0.00 C ATOM 1497 O THR A 94 -17.477 -8.675 -16.408 1.00 0.00 O ATOM 1498 CB THR A 94 -18.587 -11.730 -16.449 1.00 0.00 C ATOM 1499 OG1 THR A 94 -19.724 -12.447 -16.901 1.00 0.00 O ATOM 1500 CG2 THR A 94 -17.809 -12.657 -15.508 1.00 0.00 C ATOM 0 H THR A 94 -19.581 -9.442 -17.528 1.00 0.00 H new ATOM 0 HA THR A 94 -19.444 -10.696 -14.812 1.00 0.00 H new ATOM 0 HB THR A 94 -17.943 -11.441 -17.280 1.00 0.00 H new ATOM 0 HG1 THR A 94 -19.436 -13.280 -17.330 1.00 0.00 H new ATOM 0 HG21 THR A 94 -17.537 -13.569 -16.039 1.00 0.00 H new ATOM 0 HG22 THR A 94 -16.905 -12.153 -15.166 1.00 0.00 H new ATOM 0 HG23 THR A 94 -18.431 -12.909 -14.649 1.00 0.00 H new ATOM 1508 N ALA A 95 -17.253 -9.521 -14.329 1.00 0.00 N ATOM 1509 CA ALA A 95 -16.154 -8.673 -13.897 1.00 0.00 C ATOM 1510 C ALA A 95 -15.106 -9.528 -13.193 1.00 0.00 C ATOM 1511 O ALA A 95 -15.407 -10.606 -12.681 1.00 0.00 O ATOM 1512 CB ALA A 95 -16.688 -7.574 -12.969 1.00 0.00 C ATOM 0 H ALA A 95 -17.544 -10.188 -13.614 1.00 0.00 H new ATOM 0 HA ALA A 95 -15.688 -8.194 -14.758 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -15.864 -6.939 -12.645 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -17.422 -6.971 -13.504 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -17.158 -8.030 -12.098 1.00 0.00 H new ATOM 1518 N LYS A 96 -13.865 -9.048 -13.164 1.00 0.00 N ATOM 1519 CA LYS A 96 -12.801 -9.694 -12.407 1.00 0.00 C ATOM 1520 C LYS A 96 -12.984 -9.243 -10.963 1.00 0.00 C ATOM 1521 O LYS A 96 -13.023 -8.034 -10.723 1.00 0.00 O ATOM 1522 CB LYS A 96 -11.404 -9.275 -12.905 1.00 0.00 C ATOM 1523 CG LYS A 96 -11.022 -9.601 -14.363 1.00 0.00 C ATOM 1524 CD LYS A 96 -11.734 -8.811 -15.482 1.00 0.00 C ATOM 1525 CE LYS A 96 -11.783 -7.280 -15.299 1.00 0.00 C ATOM 1526 NZ LYS A 96 -10.469 -6.605 -15.458 1.00 0.00 N ATOM 0 H LYS A 96 -13.572 -8.207 -13.661 1.00 0.00 H new ATOM 0 HA LYS A 96 -12.861 -10.777 -12.519 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -11.312 -8.197 -12.770 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -10.665 -9.742 -12.255 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -9.949 -9.445 -14.472 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -11.208 -10.662 -14.530 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -11.237 -9.029 -16.427 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -12.756 -9.180 -15.567 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -12.484 -6.861 -16.021 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -12.176 -7.056 -14.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -10.485 -5.692 -14.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -9.720 -7.205 -15.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -10.281 -6.444 -16.468 1.00 0.00 H new ATOM 1540 N LEU A 97 -13.030 -10.156 -9.990 1.00 0.00 N ATOM 1541 CA LEU A 97 -12.980 -9.764 -8.579 1.00 0.00 C ATOM 1542 C LEU A 97 -11.671 -9.015 -8.300 1.00 0.00 C ATOM 1543 O LEU A 97 -11.642 -8.068 -7.518 1.00 0.00 O ATOM 1544 CB LEU A 97 -13.096 -11.006 -7.685 1.00 0.00 C ATOM 1545 CG LEU A 97 -13.155 -10.702 -6.179 1.00 0.00 C ATOM 1546 CD1 LEU A 97 -14.394 -9.869 -5.822 1.00 0.00 C ATOM 1547 CD2 LEU A 97 -13.173 -12.032 -5.420 1.00 0.00 C ATOM 0 H LEU A 97 -13.101 -11.161 -10.150 1.00 0.00 H new ATOM 0 HA LEU A 97 -13.817 -9.102 -8.356 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -13.992 -11.559 -7.967 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -12.245 -11.659 -7.878 1.00 0.00 H new ATOM 0 HG LEU A 97 -12.281 -10.115 -5.897 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -14.404 -9.673 -4.750 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -14.365 -8.924 -6.364 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -15.294 -10.418 -6.098 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -13.215 -11.839 -4.348 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -14.048 -12.610 -5.719 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -12.269 -12.596 -5.652 1.00 0.00 H new ATOM 1559 N SER A 98 -10.612 -9.400 -9.015 1.00 0.00 N ATOM 1560 CA SER A 98 -9.299 -8.773 -9.076 1.00 0.00 C ATOM 1561 C SER A 98 -9.330 -7.279 -9.442 1.00 0.00 C ATOM 1562 O SER A 98 -8.327 -6.589 -9.260 1.00 0.00 O ATOM 1563 CB SER A 98 -8.491 -9.558 -10.118 1.00 0.00 C ATOM 1564 OG SER A 98 -8.653 -10.946 -9.884 1.00 0.00 O ATOM 0 H SER A 98 -10.659 -10.225 -9.613 1.00 0.00 H new ATOM 0 HA SER A 98 -8.851 -8.806 -8.083 1.00 0.00 H new ATOM 0 HB2 SER A 98 -8.828 -9.305 -11.123 1.00 0.00 H new ATOM 0 HB3 SER A 98 -7.437 -9.287 -10.058 1.00 0.00 H new ATOM 0 HG SER A 98 -8.293 -11.450 -10.644 1.00 0.00 H new ATOM 1570 N ASP A 99 -10.457 -6.776 -9.957 1.00 0.00 N ATOM 1571 CA ASP A 99 -10.610 -5.418 -10.485 1.00 0.00 C ATOM 1572 C ASP A 99 -11.751 -4.683 -9.766 1.00 0.00 C ATOM 1573 O ASP A 99 -12.233 -3.644 -10.214 1.00 0.00 O ATOM 1574 CB ASP A 99 -10.813 -5.542 -12.004 1.00 0.00 C ATOM 1575 CG ASP A 99 -10.570 -4.278 -12.837 1.00 0.00 C ATOM 1576 OD1 ASP A 99 -9.797 -3.387 -12.429 1.00 0.00 O ATOM 1577 OD2 ASP A 99 -11.067 -4.271 -13.989 1.00 0.00 O ATOM 0 H ASP A 99 -11.316 -7.322 -10.019 1.00 0.00 H new ATOM 0 HA ASP A 99 -9.724 -4.810 -10.302 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -10.151 -6.325 -12.373 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -11.834 -5.877 -12.184 1.00 0.00 H new ATOM 1582 N ILE A 100 -12.182 -5.228 -8.626 1.00 0.00 N ATOM 1583 CA ILE A 100 -13.304 -4.752 -7.825 1.00 0.00 C ATOM 1584 C ILE A 100 -12.830 -4.469 -6.400 1.00 0.00 C ATOM 1585 O ILE A 100 -11.859 -5.042 -5.901 1.00 0.00 O ATOM 1586 CB ILE A 100 -14.475 -5.774 -7.914 1.00 0.00 C ATOM 1587 CG1 ILE A 100 -15.394 -5.349 -9.077 1.00 0.00 C ATOM 1588 CG2 ILE A 100 -15.314 -5.975 -6.633 1.00 0.00 C ATOM 1589 CD1 ILE A 100 -16.457 -6.380 -9.452 1.00 0.00 C ATOM 0 H ILE A 100 -11.735 -6.051 -8.221 1.00 0.00 H new ATOM 0 HA ILE A 100 -13.691 -3.809 -8.211 1.00 0.00 H new ATOM 0 HB ILE A 100 -14.006 -6.745 -8.074 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -15.889 -4.416 -8.810 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -14.779 -5.144 -9.953 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -16.097 -6.709 -6.822 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -14.670 -6.330 -5.828 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -15.768 -5.027 -6.343 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -17.058 -5.999 -10.278 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -15.973 -7.309 -9.754 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -17.100 -6.569 -8.592 1.00 0.00 H new ATOM 1601 N GLU A 101 -13.583 -3.591 -5.749 1.00 0.00 N ATOM 1602 CA GLU A 101 -13.460 -3.232 -4.349 1.00 0.00 C ATOM 1603 C GLU A 101 -14.834 -3.487 -3.733 1.00 0.00 C ATOM 1604 O GLU A 101 -15.822 -2.902 -4.178 1.00 0.00 O ATOM 1605 CB GLU A 101 -13.031 -1.761 -4.247 1.00 0.00 C ATOM 1606 CG GLU A 101 -12.860 -1.313 -2.790 1.00 0.00 C ATOM 1607 CD GLU A 101 -12.497 0.181 -2.663 1.00 0.00 C ATOM 1608 OE1 GLU A 101 -11.721 0.710 -3.492 1.00 0.00 O ATOM 1609 OE2 GLU A 101 -12.970 0.836 -1.706 1.00 0.00 O ATOM 0 H GLU A 101 -14.337 -3.084 -6.213 1.00 0.00 H new ATOM 0 HA GLU A 101 -12.706 -3.813 -3.819 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -12.092 -1.619 -4.783 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -13.775 -1.131 -4.735 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -13.784 -1.505 -2.245 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -12.081 -1.913 -2.319 1.00 0.00 H new ATOM 1616 N ALA A 102 -14.913 -4.389 -2.755 1.00 0.00 N ATOM 1617 CA ALA A 102 -16.173 -4.748 -2.121 1.00 0.00 C ATOM 1618 C ALA A 102 -16.581 -3.651 -1.142 1.00 0.00 C ATOM 1619 O ALA A 102 -15.742 -3.122 -0.408 1.00 0.00 O ATOM 1620 CB ALA A 102 -16.017 -6.078 -1.386 1.00 0.00 C ATOM 0 H ALA A 102 -14.105 -4.888 -2.383 1.00 0.00 H new ATOM 0 HA ALA A 102 -16.947 -4.853 -2.881 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -16.962 -6.345 -0.912 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -15.735 -6.855 -2.096 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -15.243 -5.984 -0.624 1.00 0.00 H new ATOM 1626 N ILE A 103 -17.876 -3.348 -1.111 1.00 0.00 N ATOM 1627 CA ILE A 103 -18.460 -2.289 -0.296 1.00 0.00 C ATOM 1628 C ILE A 103 -19.661 -2.865 0.463 1.00 0.00 C ATOM 1629 O ILE A 103 -20.430 -3.658 -0.080 1.00 0.00 O ATOM 1630 CB ILE A 103 -18.839 -1.108 -1.223 1.00 0.00 C ATOM 1631 CG1 ILE A 103 -17.561 -0.451 -1.794 1.00 0.00 C ATOM 1632 CG2 ILE A 103 -19.716 -0.049 -0.526 1.00 0.00 C ATOM 1633 CD1 ILE A 103 -17.839 0.561 -2.904 1.00 0.00 C ATOM 0 H ILE A 103 -18.568 -3.848 -1.669 1.00 0.00 H new ATOM 0 HA ILE A 103 -17.757 -1.909 0.446 1.00 0.00 H new ATOM 0 HB ILE A 103 -19.437 -1.524 -2.034 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -17.026 0.047 -0.985 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -16.903 -1.230 -2.180 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -19.947 0.752 -1.229 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -20.642 -0.511 -0.185 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -19.180 0.362 0.329 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -16.897 0.982 -3.257 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -18.347 0.064 -3.731 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -18.471 1.360 -2.518 1.00 0.00 H new ATOM 1645 N ASP A 104 -19.834 -2.411 1.711 1.00 0.00 N ATOM 1646 CA ASP A 104 -21.002 -2.672 2.561 1.00 0.00 C ATOM 1647 C ASP A 104 -21.343 -4.167 2.683 1.00 0.00 C ATOM 1648 O ASP A 104 -22.512 -4.558 2.726 1.00 0.00 O ATOM 1649 CB ASP A 104 -22.184 -1.789 2.120 1.00 0.00 C ATOM 1650 CG ASP A 104 -23.365 -1.836 3.109 1.00 0.00 C ATOM 1651 OD1 ASP A 104 -23.147 -1.699 4.336 1.00 0.00 O ATOM 1652 OD2 ASP A 104 -24.531 -1.939 2.664 1.00 0.00 O ATOM 0 H ASP A 104 -19.136 -1.829 2.174 1.00 0.00 H new ATOM 0 HA ASP A 104 -20.751 -2.385 3.582 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -21.843 -0.759 2.016 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -22.526 -2.112 1.137 1.00 0.00 H new ATOM 1657 N VAL A 105 -20.310 -5.016 2.730 1.00 0.00 N ATOM 1658 CA VAL A 105 -20.453 -6.467 2.853 1.00 0.00 C ATOM 1659 C VAL A 105 -19.975 -6.944 4.236 1.00 0.00 C ATOM 1660 O VAL A 105 -19.377 -6.176 4.997 1.00 0.00 O ATOM 1661 CB VAL A 105 -19.767 -7.147 1.646 1.00 0.00 C ATOM 1662 CG1 VAL A 105 -18.235 -7.222 1.739 1.00 0.00 C ATOM 1663 CG2 VAL A 105 -20.382 -8.521 1.373 1.00 0.00 C ATOM 0 H VAL A 105 -19.339 -4.708 2.683 1.00 0.00 H new ATOM 0 HA VAL A 105 -21.501 -6.764 2.811 1.00 0.00 H new ATOM 0 HB VAL A 105 -19.961 -6.495 0.794 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -17.840 -7.714 0.850 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -17.825 -6.214 1.808 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -17.952 -7.791 2.625 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -19.883 -8.980 0.519 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -20.258 -9.156 2.250 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -21.444 -8.407 1.155 1.00 0.00 H new ATOM 1673 N ASP A 106 -20.262 -8.206 4.573 1.00 0.00 N ATOM 1674 CA ASP A 106 -19.846 -8.828 5.827 1.00 0.00 C ATOM 1675 C ASP A 106 -18.325 -8.929 5.895 1.00 0.00 C ATOM 1676 O ASP A 106 -17.649 -9.055 4.872 1.00 0.00 O ATOM 1677 CB ASP A 106 -20.439 -10.234 5.951 1.00 0.00 C ATOM 1678 CG ASP A 106 -20.027 -10.907 7.270 1.00 0.00 C ATOM 1679 OD1 ASP A 106 -20.600 -10.558 8.326 1.00 0.00 O ATOM 1680 OD2 ASP A 106 -19.116 -11.762 7.254 1.00 0.00 O ATOM 0 H ASP A 106 -20.798 -8.830 3.970 1.00 0.00 H new ATOM 0 HA ASP A 106 -20.208 -8.205 6.645 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -21.526 -10.177 5.895 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -20.108 -10.845 5.111 1.00 0.00 H new ATOM 1685 N ASP A 107 -17.801 -8.912 7.116 1.00 0.00 N ATOM 1686 CA ASP A 107 -16.370 -8.929 7.391 1.00 0.00 C ATOM 1687 C ASP A 107 -15.680 -10.127 6.749 1.00 0.00 C ATOM 1688 O ASP A 107 -14.633 -9.948 6.136 1.00 0.00 O ATOM 1689 CB ASP A 107 -16.131 -8.930 8.903 1.00 0.00 C ATOM 1690 CG ASP A 107 -14.630 -9.000 9.230 1.00 0.00 C ATOM 1691 OD1 ASP A 107 -13.933 -7.970 9.094 1.00 0.00 O ATOM 1692 OD2 ASP A 107 -14.157 -10.065 9.687 1.00 0.00 O ATOM 0 H ASP A 107 -18.373 -8.885 7.960 1.00 0.00 H new ATOM 0 HA ASP A 107 -15.937 -8.030 6.953 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -16.560 -8.029 9.342 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -16.644 -9.779 9.354 1.00 0.00 H new ATOM 1697 N ASP A 108 -16.263 -11.328 6.812 1.00 0.00 N ATOM 1698 CA ASP A 108 -15.597 -12.518 6.277 1.00 0.00 C ATOM 1699 C ASP A 108 -15.602 -12.510 4.745 1.00 0.00 C ATOM 1700 O ASP A 108 -14.699 -13.056 4.113 1.00 0.00 O ATOM 1701 CB ASP A 108 -16.253 -13.804 6.803 1.00 0.00 C ATOM 1702 CG ASP A 108 -15.330 -15.036 6.730 1.00 0.00 C ATOM 1703 OD1 ASP A 108 -14.090 -14.908 6.840 1.00 0.00 O ATOM 1704 OD2 ASP A 108 -15.860 -16.168 6.663 1.00 0.00 O ATOM 0 H ASP A 108 -17.181 -11.501 7.222 1.00 0.00 H new ATOM 0 HA ASP A 108 -14.562 -12.495 6.619 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -16.560 -13.650 7.838 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -17.158 -14.003 6.229 1.00 0.00 H new ATOM 1709 N THR A 109 -16.596 -11.851 4.141 1.00 0.00 N ATOM 1710 CA THR A 109 -16.672 -11.667 2.697 1.00 0.00 C ATOM 1711 C THR A 109 -15.614 -10.648 2.273 1.00 0.00 C ATOM 1712 O THR A 109 -14.825 -10.931 1.372 1.00 0.00 O ATOM 1713 CB THR A 109 -18.102 -11.239 2.329 1.00 0.00 C ATOM 1714 OG1 THR A 109 -18.989 -12.251 2.753 1.00 0.00 O ATOM 1715 CG2 THR A 109 -18.345 -11.090 0.833 1.00 0.00 C ATOM 0 H THR A 109 -17.374 -11.429 4.648 1.00 0.00 H new ATOM 0 HA THR A 109 -16.462 -12.593 2.161 1.00 0.00 H new ATOM 0 HB THR A 109 -18.255 -10.271 2.806 1.00 0.00 H new ATOM 0 HG1 THR A 109 -18.594 -13.129 2.572 1.00 0.00 H new ATOM 0 HG21 THR A 109 -19.377 -10.786 0.661 1.00 0.00 H new ATOM 0 HG22 THR A 109 -17.672 -10.334 0.429 1.00 0.00 H new ATOM 0 HG23 THR A 109 -18.160 -12.043 0.338 1.00 0.00 H new ATOM 1723 N GLN A 110 -15.544 -9.495 2.948 1.00 0.00 N ATOM 1724 CA GLN A 110 -14.560 -8.465 2.644 1.00 0.00 C ATOM 1725 C GLN A 110 -13.149 -9.047 2.801 1.00 0.00 C ATOM 1726 O GLN A 110 -12.316 -8.888 1.911 1.00 0.00 O ATOM 1727 CB GLN A 110 -14.802 -7.238 3.548 1.00 0.00 C ATOM 1728 CG GLN A 110 -14.372 -5.909 2.907 1.00 0.00 C ATOM 1729 CD GLN A 110 -12.872 -5.832 2.613 1.00 0.00 C ATOM 1730 OE1 GLN A 110 -12.047 -5.743 3.519 1.00 0.00 O ATOM 1731 NE2 GLN A 110 -12.485 -5.869 1.347 1.00 0.00 N ATOM 0 H GLN A 110 -16.169 -9.256 3.718 1.00 0.00 H new ATOM 0 HA GLN A 110 -14.660 -8.130 1.612 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -15.861 -7.185 3.799 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -14.259 -7.373 4.483 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -14.924 -5.767 1.978 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -14.647 -5.089 3.570 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -13.179 -5.943 0.603 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -11.493 -5.824 1.116 1.00 0.00 H new ATOM 1740 N GLU A 111 -12.893 -9.777 3.889 1.00 0.00 N ATOM 1741 CA GLU A 111 -11.597 -10.385 4.150 1.00 0.00 C ATOM 1742 C GLU A 111 -11.251 -11.418 3.077 1.00 0.00 C ATOM 1743 O GLU A 111 -10.113 -11.421 2.619 1.00 0.00 O ATOM 1744 CB GLU A 111 -11.571 -11.016 5.551 1.00 0.00 C ATOM 1745 CG GLU A 111 -11.472 -9.974 6.679 1.00 0.00 C ATOM 1746 CD GLU A 111 -10.072 -9.337 6.763 1.00 0.00 C ATOM 1747 OE1 GLU A 111 -9.164 -9.936 7.383 1.00 0.00 O ATOM 1748 OE2 GLU A 111 -9.866 -8.224 6.230 1.00 0.00 O ATOM 0 H GLU A 111 -13.586 -9.961 4.614 1.00 0.00 H new ATOM 0 HA GLU A 111 -10.839 -9.603 4.114 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -12.473 -11.611 5.692 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -10.725 -11.699 5.620 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -12.215 -9.193 6.516 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -11.711 -10.448 7.631 1.00 0.00 H new ATOM 1755 N ALA A 112 -12.195 -12.256 2.627 1.00 0.00 N ATOM 1756 CA ALA A 112 -11.915 -13.242 1.583 1.00 0.00 C ATOM 1757 C ALA A 112 -11.513 -12.556 0.271 1.00 0.00 C ATOM 1758 O ALA A 112 -10.616 -13.023 -0.433 1.00 0.00 O ATOM 1759 CB ALA A 112 -13.132 -14.145 1.361 1.00 0.00 C ATOM 0 H ALA A 112 -13.155 -12.268 2.971 1.00 0.00 H new ATOM 0 HA ALA A 112 -11.078 -13.857 1.914 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -12.908 -14.873 0.581 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -13.371 -14.667 2.287 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -13.985 -13.538 1.056 1.00 0.00 H new ATOM 1765 N ILE A 113 -12.162 -11.438 -0.053 1.00 0.00 N ATOM 1766 CA ILE A 113 -11.884 -10.678 -1.263 1.00 0.00 C ATOM 1767 C ILE A 113 -10.503 -10.019 -1.133 1.00 0.00 C ATOM 1768 O ILE A 113 -9.691 -10.121 -2.054 1.00 0.00 O ATOM 1769 CB ILE A 113 -13.044 -9.683 -1.503 1.00 0.00 C ATOM 1770 CG1 ILE A 113 -14.344 -10.474 -1.793 1.00 0.00 C ATOM 1771 CG2 ILE A 113 -12.725 -8.709 -2.651 1.00 0.00 C ATOM 1772 CD1 ILE A 113 -15.612 -9.628 -1.703 1.00 0.00 C ATOM 0 H ILE A 113 -12.900 -11.034 0.524 1.00 0.00 H new ATOM 0 HA ILE A 113 -11.836 -11.316 -2.145 1.00 0.00 H new ATOM 0 HB ILE A 113 -13.180 -9.081 -0.604 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -14.279 -10.909 -2.790 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -14.420 -11.302 -1.088 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -13.562 -8.025 -2.791 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -11.828 -8.140 -2.407 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -12.558 -9.271 -3.570 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -16.481 -10.250 -1.918 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -15.702 -9.214 -0.699 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -15.559 -8.815 -2.427 1.00 0.00 H new ATOM 1784 N ALA A 114 -10.200 -9.399 0.013 1.00 0.00 N ATOM 1785 CA ALA A 114 -8.888 -8.819 0.277 1.00 0.00 C ATOM 1786 C ALA A 114 -7.791 -9.889 0.220 1.00 0.00 C ATOM 1787 O ALA A 114 -6.693 -9.624 -0.267 1.00 0.00 O ATOM 1788 CB ALA A 114 -8.895 -8.126 1.644 1.00 0.00 C ATOM 0 H ALA A 114 -10.862 -9.288 0.781 1.00 0.00 H new ATOM 0 HA ALA A 114 -8.672 -8.081 -0.496 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -7.913 -7.694 1.838 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -9.646 -7.336 1.648 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -9.130 -8.854 2.420 1.00 0.00 H new ATOM 1794 N ASP A 115 -8.090 -11.097 0.695 1.00 0.00 N ATOM 1795 CA ASP A 115 -7.159 -12.221 0.714 1.00 0.00 C ATOM 1796 C ASP A 115 -6.794 -12.654 -0.709 1.00 0.00 C ATOM 1797 O ASP A 115 -5.613 -12.831 -1.009 1.00 0.00 O ATOM 1798 CB ASP A 115 -7.744 -13.379 1.530 1.00 0.00 C ATOM 1799 CG ASP A 115 -6.700 -14.469 1.802 1.00 0.00 C ATOM 1800 OD1 ASP A 115 -6.009 -14.387 2.843 1.00 0.00 O ATOM 1801 OD2 ASP A 115 -6.622 -15.440 1.025 1.00 0.00 O ATOM 0 H ASP A 115 -9.005 -11.325 1.085 1.00 0.00 H new ATOM 0 HA ASP A 115 -6.235 -11.904 1.198 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -8.128 -12.999 2.477 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -8.589 -13.811 0.994 1.00 0.00 H new ATOM 1806 N TRP A 116 -7.782 -12.720 -1.612 1.00 0.00 N ATOM 1807 CA TRP A 116 -7.548 -12.963 -3.035 1.00 0.00 C ATOM 1808 C TRP A 116 -6.724 -11.829 -3.647 1.00 0.00 C ATOM 1809 O TRP A 116 -5.778 -12.088 -4.392 1.00 0.00 O ATOM 1810 CB TRP A 116 -8.882 -13.129 -3.786 1.00 0.00 C ATOM 1811 CG TRP A 116 -8.782 -13.063 -5.286 1.00 0.00 C ATOM 1812 CD1 TRP A 116 -9.159 -12.010 -6.048 1.00 0.00 C ATOM 1813 CD2 TRP A 116 -8.206 -14.032 -6.221 1.00 0.00 C ATOM 1814 NE1 TRP A 116 -8.858 -12.259 -7.371 1.00 0.00 N ATOM 1815 CE2 TRP A 116 -8.272 -13.492 -7.539 1.00 0.00 C ATOM 1816 CE3 TRP A 116 -7.610 -15.304 -6.095 1.00 0.00 C ATOM 1817 CZ2 TRP A 116 -7.784 -14.174 -8.664 1.00 0.00 C ATOM 1818 CZ3 TRP A 116 -7.130 -16.011 -7.215 1.00 0.00 C ATOM 1819 CH2 TRP A 116 -7.212 -15.447 -8.501 1.00 0.00 C ATOM 0 H TRP A 116 -8.767 -12.606 -1.372 1.00 0.00 H new ATOM 0 HA TRP A 116 -6.983 -13.890 -3.134 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -9.321 -14.087 -3.508 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -9.570 -12.354 -3.449 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -9.626 -11.110 -5.676 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -9.047 -11.607 -8.133 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -7.519 -15.748 -5.114 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -7.847 -13.725 -9.644 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -6.697 -16.992 -7.085 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -6.838 -15.989 -9.357 1.00 0.00 H new ATOM 1830 N LEU A 117 -7.064 -10.574 -3.339 1.00 0.00 N ATOM 1831 CA LEU A 117 -6.393 -9.420 -3.925 1.00 0.00 C ATOM 1832 C LEU A 117 -4.914 -9.407 -3.535 1.00 0.00 C ATOM 1833 O LEU A 117 -4.061 -9.245 -4.411 1.00 0.00 O ATOM 1834 CB LEU A 117 -7.094 -8.116 -3.503 1.00 0.00 C ATOM 1835 CG LEU A 117 -8.436 -7.879 -4.228 1.00 0.00 C ATOM 1836 CD1 LEU A 117 -9.251 -6.808 -3.496 1.00 0.00 C ATOM 1837 CD2 LEU A 117 -8.228 -7.441 -5.683 1.00 0.00 C ATOM 0 H LEU A 117 -7.806 -10.335 -2.682 1.00 0.00 H new ATOM 0 HA LEU A 117 -6.453 -9.495 -5.011 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -7.270 -8.138 -2.427 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -6.430 -7.275 -3.700 1.00 0.00 H new ATOM 0 HG LEU A 117 -8.975 -8.826 -4.227 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -10.195 -6.650 -4.017 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -9.450 -7.136 -2.476 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -8.688 -5.875 -3.474 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -9.197 -7.285 -6.158 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -7.659 -6.512 -5.705 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -7.681 -8.215 -6.221 1.00 0.00 H new ATOM 1849 N TYR A 118 -4.584 -9.614 -2.253 1.00 0.00 N ATOM 1850 CA TYR A 118 -3.186 -9.620 -1.837 1.00 0.00 C ATOM 1851 C TYR A 118 -2.468 -10.861 -2.369 1.00 0.00 C ATOM 1852 O TYR A 118 -1.301 -10.760 -2.738 1.00 0.00 O ATOM 1853 CB TYR A 118 -3.017 -9.395 -0.322 1.00 0.00 C ATOM 1854 CG TYR A 118 -2.918 -10.610 0.588 1.00 0.00 C ATOM 1855 CD1 TYR A 118 -1.781 -11.446 0.557 1.00 0.00 C ATOM 1856 CD2 TYR A 118 -3.921 -10.845 1.545 1.00 0.00 C ATOM 1857 CE1 TYR A 118 -1.678 -12.544 1.429 1.00 0.00 C ATOM 1858 CE2 TYR A 118 -3.820 -11.932 2.431 1.00 0.00 C ATOM 1859 CZ TYR A 118 -2.705 -12.800 2.366 1.00 0.00 C ATOM 1860 OH TYR A 118 -2.601 -13.867 3.206 1.00 0.00 O ATOM 0 H TYR A 118 -5.256 -9.776 -1.503 1.00 0.00 H new ATOM 0 HA TYR A 118 -2.693 -8.761 -2.292 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -2.118 -8.797 -0.174 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -3.860 -8.794 0.019 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -0.984 -11.241 -0.142 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -4.775 -10.186 1.600 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -0.815 -13.191 1.383 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -4.595 -12.105 3.163 1.00 0.00 H new ATOM 0 HH TYR A 118 -3.388 -13.903 3.789 1.00 0.00 H new ATOM 1870 N TRP A 119 -3.140 -12.012 -2.481 1.00 0.00 N ATOM 1871 CA TRP A 119 -2.571 -13.187 -3.131 1.00 0.00 C ATOM 1872 C TRP A 119 -2.191 -12.885 -4.585 1.00 0.00 C ATOM 1873 O TRP A 119 -1.151 -13.339 -5.067 1.00 0.00 O ATOM 1874 CB TRP A 119 -3.564 -14.353 -3.067 1.00 0.00 C ATOM 1875 CG TRP A 119 -3.389 -15.374 -4.145 1.00 0.00 C ATOM 1876 CD1 TRP A 119 -4.151 -15.464 -5.257 1.00 0.00 C ATOM 1877 CD2 TRP A 119 -2.351 -16.388 -4.288 1.00 0.00 C ATOM 1878 NE1 TRP A 119 -3.673 -16.467 -6.071 1.00 0.00 N ATOM 1879 CE2 TRP A 119 -2.563 -17.072 -5.522 1.00 0.00 C ATOM 1880 CE3 TRP A 119 -1.242 -16.787 -3.512 1.00 0.00 C ATOM 1881 CZ2 TRP A 119 -1.727 -18.109 -5.953 1.00 0.00 C ATOM 1882 CZ3 TRP A 119 -0.394 -17.828 -3.936 1.00 0.00 C ATOM 1883 CH2 TRP A 119 -0.635 -18.491 -5.152 1.00 0.00 C ATOM 0 H TRP A 119 -4.086 -12.150 -2.125 1.00 0.00 H new ATOM 0 HA TRP A 119 -1.661 -13.466 -2.600 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -3.467 -14.844 -2.099 1.00 0.00 H new ATOM 0 HB3 TRP A 119 -4.577 -13.955 -3.122 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -5.007 -14.842 -5.475 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -4.087 -16.729 -6.966 1.00 0.00 H new ATOM 0 HE3 TRP A 119 -1.040 -16.285 -2.577 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -1.918 -18.610 -6.890 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 0.447 -18.119 -3.323 1.00 0.00 H new ATOM 0 HH2 TRP A 119 0.016 -19.291 -5.471 1.00 0.00 H new ATOM 1894 N LEU A 120 -3.009 -12.110 -5.300 1.00 0.00 N ATOM 1895 CA LEU A 120 -2.727 -11.806 -6.691 1.00 0.00 C ATOM 1896 C LEU A 120 -1.456 -10.960 -6.765 1.00 0.00 C ATOM 1897 O LEU A 120 -0.559 -11.250 -7.556 1.00 0.00 O ATOM 1898 CB LEU A 120 -3.931 -11.094 -7.324 1.00 0.00 C ATOM 1899 CG LEU A 120 -3.900 -11.165 -8.860 1.00 0.00 C ATOM 1900 CD1 LEU A 120 -4.257 -12.571 -9.357 1.00 0.00 C ATOM 1901 CD2 LEU A 120 -4.918 -10.175 -9.425 1.00 0.00 C ATOM 0 H LEU A 120 -3.863 -11.688 -4.936 1.00 0.00 H new ATOM 0 HA LEU A 120 -2.560 -12.723 -7.256 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -4.853 -11.546 -6.959 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -3.942 -10.050 -7.009 1.00 0.00 H new ATOM 0 HG LEU A 120 -2.892 -10.920 -9.194 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -4.227 -12.590 -10.446 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -3.540 -13.290 -8.961 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -5.259 -12.834 -9.017 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -4.903 -10.219 -10.514 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -5.914 -10.433 -9.066 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -4.664 -9.166 -9.099 1.00 0.00 H new ATOM 1913 N ALA A 121 -1.342 -9.968 -5.874 1.00 0.00 N ATOM 1914 CA ALA A 121 -0.154 -9.137 -5.736 1.00 0.00 C ATOM 1915 C ALA A 121 1.077 -9.946 -5.290 1.00 0.00 C ATOM 1916 O ALA A 121 2.199 -9.611 -5.672 1.00 0.00 O ATOM 1917 CB ALA A 121 -0.458 -8.020 -4.734 1.00 0.00 C ATOM 0 H ALA A 121 -2.087 -9.721 -5.222 1.00 0.00 H new ATOM 0 HA ALA A 121 0.092 -8.716 -6.711 1.00 0.00 H new ATOM 0 HB1 ALA A 121 0.421 -7.387 -4.617 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -1.291 -7.420 -5.100 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -0.721 -8.457 -3.771 1.00 0.00 H new