USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 833 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 45 LYS NZ :NH3+ -149:sc= 1.23 (180deg=0) USER MOD Set 1.2: A 73 THR OG1 : rot 180:sc= 1.07 USER MOD Set 2.1: A 47 THR OG1 : rot 172:sc= 0.398 USER MOD Set 2.2: A 71 GLN : amide:sc= 0.608 K(o=1,f=-0.78) USER MOD Set 3.1: A 49 HIS : +bothHN:sc= -1.07! C(o=0.61!,f=-8.3!) USER MOD Set 3.2: A 63 SER OG : rot 162:sc= 1.68 USER MOD Set 4.1: A 59 GLN : amide:sc= 1.63 K(o=2.9,f=-1.1) USER MOD Set 4.2: A 62 SER OG : rot -45:sc= 1.29 USER MOD Set 5.1: A 25 GLN : amide:sc= -0.467 K(o=-0.47,f=-4.9!) USER MOD Set 5.2: A 120 THR OG1 : rot 150:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 170:sc= -0.0178 (180deg=-0.182) USER MOD Single : A 29 LYS NZ :NH3+ -123:sc= 1.04 (180deg=0.519) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -141:sc= -3.51! USER MOD Single : A 39 LYS NZ :NH3+ 156:sc= -2.31! (180deg=-3.39!) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0234) USER MOD Single : A 50 TYR OH : rot 148:sc= 0.584 USER MOD Single : A 58 LYS NZ :NH3+ 141:sc= -2.32! (180deg=-5.25!) USER MOD Single : A 65 SER OG : rot -160:sc= -0.366 USER MOD Single : A 68 LYS NZ :NH3+ 166:sc= -0.0334 (180deg=-0.285) USER MOD Single : A 81 LYS NZ :NH3+ 167:sc=-0.00894 (180deg=-0.158) USER MOD Single : A 85 GLN : amide:sc= 0.112 X(o=0.11,f=0) USER MOD Single : A 89 THR OG1 : rot -38:sc= 0.315 USER MOD Single : A 90 MET CE :methyl -170:sc= -1.12 (180deg=-1.51) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ -131:sc= 1.16 (180deg=0.615) USER MOD Single : A 99 THR OG1 : rot -180:sc= -1.44! USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 180:sc= 0.639 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 345 N GLN A 25 -17.693 -2.021 -34.291 1.00 52.11 N ATOM 346 CA GLN A 25 -16.253 -2.076 -34.077 1.00 33.31 C ATOM 347 C GLN A 25 -15.592 -0.895 -34.777 1.00 11.54 C ATOM 348 O GLN A 25 -15.934 -0.576 -35.918 1.00 33.33 O ATOM 349 CB GLN A 25 -15.694 -3.399 -34.625 1.00 24.32 C ATOM 350 CG GLN A 25 -16.520 -4.628 -34.245 1.00 62.34 C ATOM 351 CD GLN A 25 -16.478 -4.962 -32.761 1.00 50.24 C ATOM 352 OE1 GLN A 25 -16.305 -4.093 -31.906 1.00 54.31 O ATOM 353 NE2 GLN A 25 -16.654 -6.235 -32.449 1.00 0.52 N ATOM 0 HA GLN A 25 -16.041 -2.023 -33.009 1.00 33.31 H new ATOM 0 HB2 GLN A 25 -15.636 -3.335 -35.712 1.00 24.32 H new ATOM 0 HB3 GLN A 25 -14.676 -3.531 -34.259 1.00 24.32 H new ATOM 0 HG2 GLN A 25 -17.556 -4.464 -34.542 1.00 62.34 H new ATOM 0 HG3 GLN A 25 -16.159 -5.486 -34.811 1.00 62.34 H new ATOM 0 HE21 GLN A 25 -16.794 -6.926 -33.186 1.00 0.52 H new ATOM 0 HE22 GLN A 25 -16.649 -6.526 -31.471 1.00 0.52 H new ATOM 362 N LEU A 26 -14.663 -0.243 -34.092 1.00 30.13 N ATOM 363 CA LEU A 26 -13.973 0.917 -34.645 1.00 12.14 C ATOM 364 C LEU A 26 -12.520 0.940 -34.185 1.00 51.43 C ATOM 365 O LEU A 26 -12.223 1.283 -33.037 1.00 61.15 O ATOM 366 CB LEU A 26 -14.686 2.216 -34.230 1.00 71.53 C ATOM 367 CG LEU A 26 -14.055 3.519 -34.756 1.00 4.02 C ATOM 368 CD1 LEU A 26 -14.058 3.551 -36.285 1.00 1.33 C ATOM 369 CD2 LEU A 26 -14.783 4.736 -34.187 1.00 14.44 C ATOM 0 H LEU A 26 -14.368 -0.498 -33.149 1.00 30.13 H new ATOM 0 HA LEU A 26 -13.992 0.844 -35.732 1.00 12.14 H new ATOM 0 HB2 LEU A 26 -15.719 2.169 -34.575 1.00 71.53 H new ATOM 0 HB3 LEU A 26 -14.715 2.261 -33.141 1.00 71.53 H new ATOM 0 HG LEU A 26 -13.018 3.552 -34.422 1.00 4.02 H new ATOM 0 HD11 LEU A 26 -13.607 4.481 -36.630 1.00 1.33 H new ATOM 0 HD12 LEU A 26 -13.485 2.706 -36.668 1.00 1.33 H new ATOM 0 HD13 LEU A 26 -15.084 3.488 -36.648 1.00 1.33 H new ATOM 0 HD21 LEU A 26 -14.323 5.647 -34.570 1.00 14.44 H new ATOM 0 HD22 LEU A 26 -15.831 4.706 -34.485 1.00 14.44 H new ATOM 0 HD23 LEU A 26 -14.715 4.725 -33.099 1.00 14.44 H new ATOM 381 N GLU A 27 -11.622 0.538 -35.076 1.00 2.20 N ATOM 382 CA GLU A 27 -10.189 0.574 -34.811 1.00 14.02 C ATOM 383 C GLU A 27 -9.434 0.963 -36.071 1.00 65.33 C ATOM 384 O GLU A 27 -9.667 0.396 -37.141 1.00 60.33 O ATOM 385 CB GLU A 27 -9.668 -0.785 -34.321 1.00 53.11 C ATOM 386 CG GLU A 27 -10.205 -1.222 -32.966 1.00 1.14 C ATOM 387 CD GLU A 27 -9.558 -2.507 -32.480 1.00 4.22 C ATOM 388 OE1 GLU A 27 -9.946 -3.588 -32.962 1.00 43.34 O ATOM 389 OE2 GLU A 27 -8.641 -2.431 -31.630 1.00 35.30 O ATOM 0 H GLU A 27 -11.865 0.179 -35.999 1.00 2.20 H new ATOM 0 HA GLU A 27 -10.023 1.314 -34.028 1.00 14.02 H new ATOM 0 HB2 GLU A 27 -9.924 -1.544 -35.060 1.00 53.11 H new ATOM 0 HB3 GLU A 27 -8.580 -0.744 -34.269 1.00 53.11 H new ATOM 0 HG2 GLU A 27 -10.032 -0.431 -32.236 1.00 1.14 H new ATOM 0 HG3 GLU A 27 -11.284 -1.363 -33.033 1.00 1.14 H new ATOM 396 N LYS A 28 -8.540 1.932 -35.934 1.00 20.23 N ATOM 397 CA LYS A 28 -7.638 2.321 -37.005 1.00 1.42 C ATOM 398 C LYS A 28 -6.224 2.440 -36.438 1.00 24.22 C ATOM 399 O LYS A 28 -5.891 3.405 -35.745 1.00 43.22 O ATOM 400 CB LYS A 28 -8.088 3.637 -37.686 1.00 13.42 C ATOM 401 CG LYS A 28 -8.210 4.850 -36.757 1.00 53.12 C ATOM 402 CD LYS A 28 -9.471 4.803 -35.896 1.00 50.34 C ATOM 403 CE LYS A 28 -9.538 5.981 -34.929 1.00 71.00 C ATOM 404 NZ LYS A 28 -9.444 7.291 -35.628 1.00 31.34 N ATOM 0 H LYS A 28 -8.421 2.470 -35.076 1.00 20.23 H new ATOM 0 HA LYS A 28 -7.654 1.555 -37.780 1.00 1.42 H new ATOM 0 HB2 LYS A 28 -7.379 3.877 -38.478 1.00 13.42 H new ATOM 0 HB3 LYS A 28 -9.053 3.468 -38.163 1.00 13.42 H new ATOM 0 HG2 LYS A 28 -7.334 4.898 -36.110 1.00 53.12 H new ATOM 0 HG3 LYS A 28 -8.215 5.762 -37.354 1.00 53.12 H new ATOM 0 HD2 LYS A 28 -10.351 4.809 -36.539 1.00 50.34 H new ATOM 0 HD3 LYS A 28 -9.494 3.869 -35.334 1.00 50.34 H new ATOM 0 HE2 LYS A 28 -10.472 5.936 -34.370 1.00 71.00 H new ATOM 0 HE3 LYS A 28 -8.728 5.900 -34.204 1.00 71.00 H new ATOM 0 HZ1 LYS A 28 -9.662 8.057 -34.960 1.00 31.34 H new ATOM 0 HZ2 LYS A 28 -8.481 7.419 -35.998 1.00 31.34 H new ATOM 0 HZ3 LYS A 28 -10.123 7.314 -36.415 1.00 31.34 H new ATOM 418 N LYS A 29 -5.409 1.421 -36.680 1.00 10.31 N ATOM 419 CA LYS A 29 -4.055 1.368 -36.138 1.00 4.51 C ATOM 420 C LYS A 29 -3.041 1.580 -37.260 1.00 32.22 C ATOM 421 O LYS A 29 -2.896 0.727 -38.139 1.00 50.14 O ATOM 422 CB LYS A 29 -3.816 0.012 -35.449 1.00 34.44 C ATOM 423 CG LYS A 29 -4.930 -0.393 -34.480 1.00 63.44 C ATOM 424 CD LYS A 29 -5.093 0.606 -33.334 1.00 73.32 C ATOM 425 CE LYS A 29 -6.350 0.327 -32.511 1.00 34.34 C ATOM 426 NZ LYS A 29 -6.337 -1.024 -31.891 1.00 5.41 N ATOM 0 H LYS A 29 -5.663 0.615 -37.251 1.00 10.31 H new ATOM 0 HA LYS A 29 -3.933 2.160 -35.399 1.00 4.51 H new ATOM 0 HB2 LYS A 29 -3.712 -0.760 -36.212 1.00 34.44 H new ATOM 0 HB3 LYS A 29 -2.872 0.052 -34.906 1.00 34.44 H new ATOM 0 HG2 LYS A 29 -5.871 -0.474 -35.025 1.00 63.44 H new ATOM 0 HG3 LYS A 29 -4.712 -1.380 -34.071 1.00 63.44 H new ATOM 0 HD2 LYS A 29 -4.217 0.562 -32.686 1.00 73.32 H new ATOM 0 HD3 LYS A 29 -5.140 1.617 -33.738 1.00 73.32 H new ATOM 0 HE2 LYS A 29 -6.443 1.081 -31.729 1.00 34.34 H new ATOM 0 HE3 LYS A 29 -7.227 0.421 -33.151 1.00 34.34 H new ATOM 0 HZ1 LYS A 29 -7.179 -1.553 -32.194 1.00 5.41 H new ATOM 0 HZ2 LYS A 29 -5.481 -1.535 -32.189 1.00 5.41 H new ATOM 0 HZ3 LYS A 29 -6.341 -0.931 -30.855 1.00 5.41 H new ATOM 440 N VAL A 30 -2.365 2.722 -37.249 1.00 1.11 N ATOM 441 CA VAL A 30 -1.371 3.033 -38.271 1.00 62.04 C ATOM 442 C VAL A 30 -0.186 2.068 -38.172 1.00 61.23 C ATOM 443 O VAL A 30 0.532 2.038 -37.168 1.00 52.32 O ATOM 444 CB VAL A 30 -0.891 4.507 -38.174 1.00 12.12 C ATOM 445 CG1 VAL A 30 -0.333 4.822 -36.786 1.00 33.10 C ATOM 446 CG2 VAL A 30 0.135 4.817 -39.266 1.00 70.43 C ATOM 0 H VAL A 30 -2.486 3.449 -36.544 1.00 1.11 H new ATOM 0 HA VAL A 30 -1.844 2.909 -39.245 1.00 62.04 H new ATOM 0 HB VAL A 30 -1.756 5.151 -38.331 1.00 12.12 H new ATOM 0 HG11 VAL A 30 -0.006 5.861 -36.753 1.00 33.10 H new ATOM 0 HG12 VAL A 30 -1.108 4.661 -36.037 1.00 33.10 H new ATOM 0 HG13 VAL A 30 0.514 4.168 -36.577 1.00 33.10 H new ATOM 0 HG21 VAL A 30 0.457 5.855 -39.179 1.00 70.43 H new ATOM 0 HG22 VAL A 30 0.997 4.159 -39.153 1.00 70.43 H new ATOM 0 HG23 VAL A 30 -0.317 4.659 -40.245 1.00 70.43 H new ATOM 456 N LEU A 31 -0.019 1.247 -39.205 1.00 3.31 N ATOM 457 CA LEU A 31 1.061 0.266 -39.254 1.00 51.44 C ATOM 458 C LEU A 31 2.307 0.888 -39.877 1.00 63.53 C ATOM 459 O LEU A 31 3.439 0.539 -39.528 1.00 71.22 O ATOM 460 CB LEU A 31 0.628 -0.963 -40.067 1.00 73.13 C ATOM 461 CG LEU A 31 -0.642 -1.680 -39.571 1.00 33.10 C ATOM 462 CD1 LEU A 31 -0.982 -2.872 -40.468 1.00 41.32 C ATOM 463 CD2 LEU A 31 -0.477 -2.123 -38.118 1.00 61.33 C ATOM 0 H LEU A 31 -0.624 1.242 -40.026 1.00 3.31 H new ATOM 0 HA LEU A 31 1.292 -0.049 -38.236 1.00 51.44 H new ATOM 0 HB2 LEU A 31 0.468 -0.654 -41.100 1.00 73.13 H new ATOM 0 HB3 LEU A 31 1.449 -1.680 -40.072 1.00 73.13 H new ATOM 0 HG LEU A 31 -1.472 -0.975 -39.621 1.00 33.10 H new ATOM 0 HD11 LEU A 31 -1.882 -3.361 -40.097 1.00 41.32 H new ATOM 0 HD12 LEU A 31 -1.152 -2.524 -41.487 1.00 41.32 H new ATOM 0 HD13 LEU A 31 -0.154 -3.581 -40.460 1.00 41.32 H new ATOM 0 HD21 LEU A 31 -1.385 -2.627 -37.786 1.00 61.33 H new ATOM 0 HD22 LEU A 31 0.368 -2.807 -38.040 1.00 61.33 H new ATOM 0 HD23 LEU A 31 -0.296 -1.251 -37.490 1.00 61.33 H new ATOM 475 N THR A 32 2.083 1.799 -40.816 1.00 73.42 N ATOM 476 CA THR A 32 3.159 2.519 -41.484 1.00 63.14 C ATOM 477 C THR A 32 2.700 3.946 -41.794 1.00 74.03 C ATOM 478 O THR A 32 1.701 4.129 -42.488 1.00 24.43 O ATOM 479 CB THR A 32 3.570 1.803 -42.795 1.00 71.24 C ATOM 480 OG1 THR A 32 3.904 0.434 -42.518 1.00 42.12 O ATOM 481 CG2 THR A 32 4.758 2.493 -43.461 1.00 61.24 C ATOM 0 H THR A 32 1.150 2.059 -41.136 1.00 73.42 H new ATOM 0 HA THR A 32 4.025 2.546 -40.823 1.00 63.14 H new ATOM 0 HB THR A 32 2.723 1.848 -43.480 1.00 71.24 H new ATOM 0 HG1 THR A 32 4.162 -0.015 -43.350 1.00 42.12 H new ATOM 0 HG21 THR A 32 5.019 1.964 -44.378 1.00 61.24 H new ATOM 0 HG22 THR A 32 4.494 3.523 -43.699 1.00 61.24 H new ATOM 0 HG23 THR A 32 5.611 2.485 -42.782 1.00 61.24 H new ATOM 489 N PRO A 33 3.403 4.968 -41.265 1.00 53.10 N ATOM 490 CA PRO A 33 3.007 6.376 -41.436 1.00 31.44 C ATOM 491 C PRO A 33 3.223 6.873 -42.865 1.00 3.51 C ATOM 492 O PRO A 33 4.163 6.448 -43.545 1.00 22.31 O ATOM 493 CB PRO A 33 3.924 7.118 -40.454 1.00 1.05 C ATOM 494 CG PRO A 33 5.137 6.256 -40.350 1.00 71.12 C ATOM 495 CD PRO A 33 4.644 4.838 -40.473 1.00 42.35 C ATOM 0 HA PRO A 33 1.945 6.531 -41.247 1.00 31.44 H new ATOM 0 HB2 PRO A 33 4.175 8.113 -40.820 1.00 1.05 H new ATOM 0 HB3 PRO A 33 3.445 7.247 -39.484 1.00 1.05 H new ATOM 0 HG2 PRO A 33 5.853 6.491 -41.138 1.00 71.12 H new ATOM 0 HG3 PRO A 33 5.647 6.412 -39.399 1.00 71.12 H new ATOM 0 HD2 PRO A 33 5.374 4.202 -40.974 1.00 42.35 H new ATOM 0 HD3 PRO A 33 4.451 4.395 -39.496 1.00 42.35 H new ATOM 503 N GLY A 34 2.345 7.769 -43.312 1.00 1.22 N ATOM 504 CA GLY A 34 2.463 8.343 -44.644 1.00 71.12 C ATOM 505 C GLY A 34 3.092 9.720 -44.626 1.00 51.22 C ATOM 506 O GLY A 34 3.565 10.179 -43.582 1.00 33.52 O ATOM 0 H GLY A 34 1.549 8.110 -42.772 1.00 1.22 H new ATOM 0 HA2 GLY A 34 3.062 7.681 -45.270 1.00 71.12 H new ATOM 0 HA3 GLY A 34 1.474 8.404 -45.099 1.00 71.12 H new ATOM 510 N ASP A 35 3.087 10.383 -45.782 1.00 1.32 N ATOM 511 CA ASP A 35 3.674 11.719 -45.911 1.00 65.45 C ATOM 512 C ASP A 35 2.919 12.716 -45.044 1.00 14.34 C ATOM 513 O ASP A 35 3.507 13.638 -44.478 1.00 32.43 O ATOM 514 CB ASP A 35 3.653 12.198 -47.372 1.00 64.24 C ATOM 515 CG ASP A 35 4.480 11.331 -48.310 1.00 72.41 C ATOM 516 OD1 ASP A 35 5.518 10.784 -47.871 1.00 4.21 O ATOM 517 OD2 ASP A 35 4.113 11.214 -49.500 1.00 51.11 O ATOM 0 H ASP A 35 2.683 10.017 -46.644 1.00 1.32 H new ATOM 0 HA ASP A 35 4.710 11.657 -45.578 1.00 65.45 H new ATOM 0 HB2 ASP A 35 2.622 12.218 -47.724 1.00 64.24 H new ATOM 0 HB3 ASP A 35 4.024 13.222 -47.415 1.00 64.24 H new ATOM 522 N GLY A 36 1.605 12.538 -44.970 1.00 33.03 N ATOM 523 CA GLY A 36 0.759 13.401 -44.158 1.00 42.44 C ATOM 524 C GLY A 36 0.447 14.729 -44.828 1.00 51.13 C ATOM 525 O GLY A 36 -0.620 15.305 -44.606 1.00 23.41 O ATOM 0 H GLY A 36 1.102 11.801 -45.465 1.00 33.03 H new ATOM 0 HA2 GLY A 36 -0.175 12.883 -43.939 1.00 42.44 H new ATOM 0 HA3 GLY A 36 1.251 13.589 -43.204 1.00 42.44 H new ATOM 529 N VAL A 37 1.370 15.216 -45.656 1.00 62.44 N ATOM 530 CA VAL A 37 1.153 16.450 -46.408 1.00 70.24 C ATOM 531 C VAL A 37 0.336 16.160 -47.668 1.00 51.32 C ATOM 532 O VAL A 37 -0.498 16.966 -48.087 1.00 73.24 O ATOM 533 CB VAL A 37 2.491 17.133 -46.794 1.00 11.24 C ATOM 534 CG1 VAL A 37 3.258 17.557 -45.542 1.00 11.54 C ATOM 535 CG2 VAL A 37 3.345 16.213 -47.666 1.00 52.31 C ATOM 0 H VAL A 37 2.274 14.775 -45.823 1.00 62.44 H new ATOM 0 HA VAL A 37 0.602 17.135 -45.764 1.00 70.24 H new ATOM 0 HB VAL A 37 2.260 18.026 -47.375 1.00 11.24 H new ATOM 0 HG11 VAL A 37 4.194 18.034 -45.833 1.00 11.54 H new ATOM 0 HG12 VAL A 37 2.656 18.260 -44.967 1.00 11.54 H new ATOM 0 HG13 VAL A 37 3.472 16.679 -44.932 1.00 11.54 H new ATOM 0 HG21 VAL A 37 4.277 16.717 -47.922 1.00 52.31 H new ATOM 0 HG22 VAL A 37 3.566 15.296 -47.120 1.00 52.31 H new ATOM 0 HG23 VAL A 37 2.802 15.969 -48.579 1.00 52.31 H new ATOM 545 N THR A 38 0.583 14.996 -48.256 1.00 10.01 N ATOM 546 CA THR A 38 -0.162 14.539 -49.413 1.00 12.05 C ATOM 547 C THR A 38 -1.447 13.848 -48.952 1.00 25.34 C ATOM 548 O THR A 38 -1.408 12.821 -48.268 1.00 54.22 O ATOM 549 CB THR A 38 0.706 13.584 -50.261 1.00 44.23 C ATOM 550 OG1 THR A 38 1.367 12.644 -49.401 1.00 15.11 O ATOM 551 CG2 THR A 38 1.750 14.354 -51.065 1.00 33.03 C ATOM 0 H THR A 38 1.304 14.347 -47.942 1.00 10.01 H new ATOM 0 HA THR A 38 -0.429 15.393 -50.035 1.00 12.05 H new ATOM 0 HB THR A 38 0.053 13.059 -50.958 1.00 44.23 H new ATOM 0 HG1 THR A 38 2.279 12.490 -49.724 1.00 15.11 H new ATOM 0 HG21 THR A 38 2.346 13.655 -51.652 1.00 33.03 H new ATOM 0 HG22 THR A 38 1.250 15.055 -51.734 1.00 33.03 H new ATOM 0 HG23 THR A 38 2.401 14.903 -50.385 1.00 33.03 H new ATOM 559 N LYS A 39 -2.585 14.436 -49.304 1.00 43.31 N ATOM 560 CA LYS A 39 -3.876 14.003 -48.782 1.00 13.11 C ATOM 561 C LYS A 39 -4.840 13.659 -49.917 1.00 41.21 C ATOM 562 O LYS A 39 -4.977 14.425 -50.872 1.00 63.14 O ATOM 563 CB LYS A 39 -4.471 15.120 -47.910 1.00 22.03 C ATOM 564 CG LYS A 39 -3.637 15.447 -46.672 1.00 14.54 C ATOM 565 CD LYS A 39 -4.080 16.746 -45.993 1.00 41.50 C ATOM 566 CE LYS A 39 -3.545 17.995 -46.702 1.00 4.21 C ATOM 567 NZ LYS A 39 -4.043 18.131 -48.100 1.00 32.51 N ATOM 0 H LYS A 39 -2.639 15.220 -49.954 1.00 43.31 H new ATOM 0 HA LYS A 39 -3.727 13.105 -48.182 1.00 13.11 H new ATOM 0 HB2 LYS A 39 -4.577 16.021 -48.513 1.00 22.03 H new ATOM 0 HB3 LYS A 39 -5.473 14.827 -47.595 1.00 22.03 H new ATOM 0 HG2 LYS A 39 -3.712 14.625 -45.960 1.00 14.54 H new ATOM 0 HG3 LYS A 39 -2.588 15.529 -46.956 1.00 14.54 H new ATOM 0 HD2 LYS A 39 -5.169 16.785 -45.968 1.00 41.50 H new ATOM 0 HD3 LYS A 39 -3.738 16.746 -44.958 1.00 41.50 H new ATOM 0 HE2 LYS A 39 -3.831 18.879 -46.133 1.00 4.21 H new ATOM 0 HE3 LYS A 39 -2.456 17.961 -46.712 1.00 4.21 H new ATOM 0 HZ1 LYS A 39 -4.005 19.130 -48.386 1.00 32.51 H new ATOM 0 HZ2 LYS A 39 -3.447 17.565 -48.737 1.00 32.51 H new ATOM 0 HZ3 LYS A 39 -5.025 17.793 -48.153 1.00 32.51 H new ATOM 581 N PRO A 40 -5.513 12.497 -49.830 1.00 42.33 N ATOM 582 CA PRO A 40 -6.568 12.126 -50.773 1.00 34.02 C ATOM 583 C PRO A 40 -7.889 12.814 -50.417 1.00 15.53 C ATOM 584 O PRO A 40 -8.032 13.368 -49.322 1.00 20.24 O ATOM 585 CB PRO A 40 -6.669 10.610 -50.587 1.00 14.44 C ATOM 586 CG PRO A 40 -6.325 10.395 -49.150 1.00 71.04 C ATOM 587 CD PRO A 40 -5.306 11.454 -48.800 1.00 13.23 C ATOM 0 HA PRO A 40 -6.355 12.422 -51.800 1.00 34.02 H new ATOM 0 HB2 PRO A 40 -7.671 10.246 -50.816 1.00 14.44 H new ATOM 0 HB3 PRO A 40 -5.980 10.081 -51.245 1.00 14.44 H new ATOM 0 HG2 PRO A 40 -7.210 10.483 -48.520 1.00 71.04 H new ATOM 0 HG3 PRO A 40 -5.919 9.396 -48.992 1.00 71.04 H new ATOM 0 HD2 PRO A 40 -5.466 11.846 -47.796 1.00 13.23 H new ATOM 0 HD3 PRO A 40 -4.291 11.058 -48.830 1.00 13.23 H new ATOM 595 N GLN A 41 -8.850 12.782 -51.337 1.00 71.30 N ATOM 596 CA GLN A 41 -10.151 13.414 -51.118 1.00 74.23 C ATOM 597 C GLN A 41 -11.162 12.922 -52.150 1.00 54.51 C ATOM 598 O GLN A 41 -10.786 12.295 -53.146 1.00 73.51 O ATOM 599 CB GLN A 41 -10.024 14.945 -51.170 1.00 32.32 C ATOM 600 CG GLN A 41 -9.477 15.482 -52.489 1.00 20.14 C ATOM 601 CD GLN A 41 -9.142 16.965 -52.422 1.00 75.11 C ATOM 602 OE1 GLN A 41 -9.985 17.819 -52.689 1.00 42.13 O ATOM 603 NE2 GLN A 41 -7.905 17.282 -52.064 1.00 32.25 N ATOM 0 H GLN A 41 -8.753 12.324 -52.243 1.00 71.30 H new ATOM 0 HA GLN A 41 -10.508 13.135 -50.127 1.00 74.23 H new ATOM 0 HB2 GLN A 41 -11.004 15.386 -50.989 1.00 32.32 H new ATOM 0 HB3 GLN A 41 -9.373 15.272 -50.359 1.00 32.32 H new ATOM 0 HG2 GLN A 41 -8.582 14.923 -52.762 1.00 20.14 H new ATOM 0 HG3 GLN A 41 -10.210 15.314 -53.278 1.00 20.14 H new ATOM 0 HE21 GLN A 41 -7.232 16.546 -51.850 1.00 32.25 H new ATOM 0 HE22 GLN A 41 -7.627 18.261 -52.003 1.00 32.25 H new ATOM 612 N ALA A 42 -12.440 13.195 -51.901 1.00 32.14 N ATOM 613 CA ALA A 42 -13.514 12.732 -52.776 1.00 64.43 C ATOM 614 C ALA A 42 -13.492 13.478 -54.109 1.00 53.00 C ATOM 615 O ALA A 42 -13.230 14.683 -54.152 1.00 74.42 O ATOM 616 CB ALA A 42 -14.869 12.896 -52.093 1.00 22.33 C ATOM 0 H ALA A 42 -12.758 13.737 -51.097 1.00 32.14 H new ATOM 0 HA ALA A 42 -13.354 11.673 -52.978 1.00 64.43 H new ATOM 0 HB1 ALA A 42 -15.657 12.546 -52.760 1.00 22.33 H new ATOM 0 HB2 ALA A 42 -14.886 12.312 -51.173 1.00 22.33 H new ATOM 0 HB3 ALA A 42 -15.033 13.948 -51.858 1.00 22.33 H new ATOM 622 N GLY A 43 -13.775 12.754 -55.189 1.00 22.23 N ATOM 623 CA GLY A 43 -13.735 13.337 -56.522 1.00 40.21 C ATOM 624 C GLY A 43 -12.367 13.193 -57.161 1.00 65.14 C ATOM 625 O GLY A 43 -12.022 13.924 -58.093 1.00 43.04 O ATOM 0 H GLY A 43 -14.033 11.767 -55.165 1.00 22.23 H new ATOM 0 HA2 GLY A 43 -14.483 12.855 -57.152 1.00 40.21 H new ATOM 0 HA3 GLY A 43 -14.000 14.393 -56.465 1.00 40.21 H new ATOM 629 N LYS A 44 -11.587 12.245 -56.648 1.00 15.02 N ATOM 630 CA LYS A 44 -10.235 11.987 -57.135 1.00 4.12 C ATOM 631 C LYS A 44 -10.030 10.499 -57.408 1.00 2.42 C ATOM 632 O LYS A 44 -10.474 9.649 -56.628 1.00 21.32 O ATOM 633 CB LYS A 44 -9.194 12.458 -56.106 1.00 74.43 C ATOM 634 CG LYS A 44 -9.042 13.974 -56.003 1.00 13.21 C ATOM 635 CD LYS A 44 -8.463 14.573 -57.284 1.00 25.44 C ATOM 636 CE LYS A 44 -8.155 16.058 -57.132 1.00 74.31 C ATOM 637 NZ LYS A 44 -9.372 16.859 -56.836 1.00 24.40 N ATOM 0 H LYS A 44 -11.874 11.634 -55.883 1.00 15.02 H new ATOM 0 HA LYS A 44 -10.106 12.542 -58.064 1.00 4.12 H new ATOM 0 HB2 LYS A 44 -9.468 12.066 -55.126 1.00 74.43 H new ATOM 0 HB3 LYS A 44 -8.227 12.026 -56.363 1.00 74.43 H new ATOM 0 HG2 LYS A 44 -10.013 14.424 -55.798 1.00 13.21 H new ATOM 0 HG3 LYS A 44 -8.393 14.218 -55.162 1.00 13.21 H new ATOM 0 HD2 LYS A 44 -7.552 14.040 -57.554 1.00 25.44 H new ATOM 0 HD3 LYS A 44 -9.169 14.431 -58.102 1.00 25.44 H new ATOM 0 HE2 LYS A 44 -7.428 16.196 -56.331 1.00 74.31 H new ATOM 0 HE3 LYS A 44 -7.694 16.427 -58.048 1.00 74.31 H new ATOM 0 HZ1 LYS A 44 -9.125 17.869 -56.808 1.00 24.40 H new ATOM 0 HZ2 LYS A 44 -10.083 16.697 -57.577 1.00 24.40 H new ATOM 0 HZ3 LYS A 44 -9.761 16.572 -55.915 1.00 24.40 H new ATOM 651 N LYS A 45 -9.366 10.195 -58.518 1.00 31.54 N ATOM 652 CA LYS A 45 -8.936 8.832 -58.804 1.00 2.24 C ATOM 653 C LYS A 45 -7.667 8.547 -58.005 1.00 43.32 C ATOM 654 O LYS A 45 -6.596 9.069 -58.324 1.00 1.42 O ATOM 655 CB LYS A 45 -8.667 8.646 -60.308 1.00 23.45 C ATOM 656 CG LYS A 45 -8.279 7.222 -60.703 1.00 51.53 C ATOM 657 CD LYS A 45 -9.460 6.255 -60.615 1.00 61.23 C ATOM 658 CE LYS A 45 -10.519 6.552 -61.676 1.00 43.20 C ATOM 659 NZ LYS A 45 -11.696 5.648 -61.568 1.00 55.24 N ATOM 0 H LYS A 45 -9.114 10.875 -59.235 1.00 31.54 H new ATOM 0 HA LYS A 45 -9.725 8.136 -58.518 1.00 2.24 H new ATOM 0 HB2 LYS A 45 -9.559 8.935 -60.864 1.00 23.45 H new ATOM 0 HB3 LYS A 45 -7.869 9.325 -60.610 1.00 23.45 H new ATOM 0 HG2 LYS A 45 -7.888 7.223 -61.720 1.00 51.53 H new ATOM 0 HG3 LYS A 45 -7.477 6.873 -60.053 1.00 51.53 H new ATOM 0 HD2 LYS A 45 -9.102 5.233 -60.735 1.00 61.23 H new ATOM 0 HD3 LYS A 45 -9.910 6.320 -59.624 1.00 61.23 H new ATOM 0 HE2 LYS A 45 -10.848 7.587 -61.578 1.00 43.20 H new ATOM 0 HE3 LYS A 45 -10.076 6.451 -62.667 1.00 43.20 H new ATOM 0 HZ1 LYS A 45 -12.105 5.496 -62.512 1.00 55.24 H new ATOM 0 HZ2 LYS A 45 -11.397 4.735 -61.169 1.00 55.24 H new ATOM 0 HZ3 LYS A 45 -12.410 6.080 -60.947 1.00 55.24 H new ATOM 673 N VAL A 46 -7.799 7.752 -56.954 1.00 62.24 N ATOM 674 CA VAL A 46 -6.692 7.478 -56.045 1.00 12.10 C ATOM 675 C VAL A 46 -6.149 6.064 -56.244 1.00 64.05 C ATOM 676 O VAL A 46 -6.899 5.138 -56.578 1.00 45.11 O ATOM 677 CB VAL A 46 -7.120 7.670 -54.566 1.00 33.35 C ATOM 678 CG1 VAL A 46 -7.480 9.129 -54.288 1.00 13.43 C ATOM 679 CG2 VAL A 46 -8.292 6.751 -54.212 1.00 33.14 C ATOM 0 H VAL A 46 -8.669 7.281 -56.707 1.00 62.24 H new ATOM 0 HA VAL A 46 -5.902 8.192 -56.277 1.00 12.10 H new ATOM 0 HB VAL A 46 -6.273 7.401 -53.935 1.00 33.35 H new ATOM 0 HG11 VAL A 46 -7.777 9.238 -53.245 1.00 13.43 H new ATOM 0 HG12 VAL A 46 -6.615 9.762 -54.487 1.00 13.43 H new ATOM 0 HG13 VAL A 46 -8.305 9.429 -54.933 1.00 13.43 H new ATOM 0 HG21 VAL A 46 -8.573 6.905 -53.170 1.00 33.14 H new ATOM 0 HG22 VAL A 46 -9.142 6.981 -54.855 1.00 33.14 H new ATOM 0 HG23 VAL A 46 -7.997 5.712 -54.359 1.00 33.14 H new ATOM 689 N THR A 47 -4.839 5.919 -56.057 1.00 20.33 N ATOM 690 CA THR A 47 -4.172 4.626 -56.132 1.00 43.45 C ATOM 691 C THR A 47 -4.015 4.037 -54.726 1.00 3.34 C ATOM 692 O THR A 47 -3.195 4.507 -53.920 1.00 53.32 O ATOM 693 CB THR A 47 -2.786 4.761 -56.805 1.00 31.33 C ATOM 694 OG1 THR A 47 -2.927 5.392 -58.089 1.00 10.14 O ATOM 695 CG2 THR A 47 -2.112 3.401 -56.979 1.00 54.21 C ATOM 0 H THR A 47 -4.212 6.696 -55.849 1.00 20.33 H new ATOM 0 HA THR A 47 -4.784 3.957 -56.737 1.00 43.45 H new ATOM 0 HB THR A 47 -2.159 5.372 -56.156 1.00 31.33 H new ATOM 0 HG1 THR A 47 -2.040 5.592 -58.454 1.00 10.14 H new ATOM 0 HG21 THR A 47 -1.141 3.535 -57.455 1.00 54.21 H new ATOM 0 HG22 THR A 47 -1.977 2.934 -56.003 1.00 54.21 H new ATOM 0 HG23 THR A 47 -2.737 2.762 -57.603 1.00 54.21 H new ATOM 703 N VAL A 48 -4.798 3.002 -54.443 1.00 1.43 N ATOM 704 CA VAL A 48 -4.879 2.419 -53.109 1.00 41.03 C ATOM 705 C VAL A 48 -4.571 0.930 -53.139 1.00 2.14 C ATOM 706 O VAL A 48 -4.298 0.351 -54.189 1.00 5.01 O ATOM 707 CB VAL A 48 -6.284 2.612 -52.484 1.00 25.31 C ATOM 708 CG1 VAL A 48 -6.667 4.087 -52.462 1.00 2.44 C ATOM 709 CG2 VAL A 48 -7.329 1.776 -53.226 1.00 31.14 C ATOM 0 H VAL A 48 -5.394 2.544 -55.132 1.00 1.43 H new ATOM 0 HA VAL A 48 -4.138 2.939 -52.502 1.00 41.03 H new ATOM 0 HB VAL A 48 -6.251 2.261 -51.452 1.00 25.31 H new ATOM 0 HG11 VAL A 48 -7.657 4.199 -52.019 1.00 2.44 H new ATOM 0 HG12 VAL A 48 -5.940 4.643 -51.870 1.00 2.44 H new ATOM 0 HG13 VAL A 48 -6.679 4.475 -53.481 1.00 2.44 H new ATOM 0 HG21 VAL A 48 -8.307 1.928 -52.770 1.00 31.14 H new ATOM 0 HG22 VAL A 48 -7.365 2.083 -54.271 1.00 31.14 H new ATOM 0 HG23 VAL A 48 -7.060 0.721 -53.166 1.00 31.14 H new ATOM 719 N HIS A 49 -4.592 0.331 -51.963 1.00 0.12 N ATOM 720 CA HIS A 49 -4.439 -1.101 -51.796 1.00 21.40 C ATOM 721 C HIS A 49 -5.178 -1.534 -50.535 1.00 62.51 C ATOM 722 O HIS A 49 -5.164 -0.824 -49.526 1.00 12.42 O ATOM 723 CB HIS A 49 -2.953 -1.486 -51.700 1.00 65.53 C ATOM 724 CG HIS A 49 -2.724 -2.890 -51.223 1.00 3.22 C ATOM 725 ND1 HIS A 49 -2.095 -3.185 -50.035 1.00 4.14 N ATOM 726 CD2 HIS A 49 -3.071 -4.081 -51.766 1.00 44.34 C ATOM 727 CE1 HIS A 49 -2.071 -4.490 -49.866 1.00 71.41 C ATOM 728 NE2 HIS A 49 -2.657 -5.061 -50.900 1.00 60.41 N ATOM 0 H HIS A 49 -4.718 0.834 -51.084 1.00 0.12 H new ATOM 0 HA HIS A 49 -4.860 -1.609 -52.664 1.00 21.40 H new ATOM 0 HB2 HIS A 49 -2.491 -1.365 -52.680 1.00 65.53 H new ATOM 0 HB3 HIS A 49 -2.451 -0.795 -51.023 1.00 65.53 H new ATOM 0 HD1 HIS A 49 -1.708 -2.499 -49.387 1.00 4.14 H new ATOM 0 HD2 HIS A 49 -3.580 -4.231 -52.707 1.00 44.34 H new ATOM 0 HE1 HIS A 49 -1.642 -5.007 -49.020 1.00 71.41 H new ATOM 0 HE2 HIS A 49 -2.782 -6.064 -51.034 1.00 60.41 H new ATOM 737 N TYR A 50 -5.833 -2.685 -50.603 1.00 14.34 N ATOM 738 CA TYR A 50 -6.514 -3.265 -49.452 1.00 11.42 C ATOM 739 C TYR A 50 -6.020 -4.690 -49.264 1.00 70.24 C ATOM 740 O TYR A 50 -5.741 -5.375 -50.249 1.00 63.33 O ATOM 741 CB TYR A 50 -8.038 -3.267 -49.655 1.00 61.52 C ATOM 742 CG TYR A 50 -8.642 -1.894 -49.888 1.00 44.20 C ATOM 743 CD1 TYR A 50 -8.831 -1.007 -48.834 1.00 71.34 C ATOM 744 CD2 TYR A 50 -9.037 -1.490 -51.162 1.00 44.43 C ATOM 745 CE1 TYR A 50 -9.390 0.240 -49.042 1.00 2.23 C ATOM 746 CE2 TYR A 50 -9.595 -0.244 -51.375 1.00 51.13 C ATOM 747 CZ TYR A 50 -9.770 0.615 -50.313 1.00 62.13 C ATOM 748 OH TYR A 50 -10.326 1.855 -50.524 1.00 33.15 O ATOM 0 H TYR A 50 -5.908 -3.242 -51.454 1.00 14.34 H new ATOM 0 HA TYR A 50 -6.294 -2.666 -48.568 1.00 11.42 H new ATOM 0 HB2 TYR A 50 -8.278 -3.905 -50.505 1.00 61.52 H new ATOM 0 HB3 TYR A 50 -8.508 -3.713 -48.779 1.00 61.52 H new ATOM 0 HD1 TYR A 50 -8.536 -1.297 -47.836 1.00 71.34 H new ATOM 0 HD2 TYR A 50 -8.905 -2.162 -51.997 1.00 44.43 H new ATOM 0 HE1 TYR A 50 -9.528 0.918 -48.212 1.00 2.23 H new ATOM 0 HE2 TYR A 50 -9.892 0.055 -52.369 1.00 51.13 H new ATOM 0 HH TYR A 50 -10.079 2.177 -51.416 1.00 33.15 H new ATOM 758 N ASP A 51 -5.893 -5.126 -48.019 1.00 4.52 N ATOM 759 CA ASP A 51 -5.446 -6.489 -47.729 1.00 51.23 C ATOM 760 C ASP A 51 -6.313 -7.084 -46.626 1.00 52.23 C ATOM 761 O ASP A 51 -6.275 -6.628 -45.478 1.00 72.43 O ATOM 762 CB ASP A 51 -3.960 -6.492 -47.322 1.00 43.42 C ATOM 763 CG ASP A 51 -3.306 -7.869 -47.435 1.00 52.30 C ATOM 764 OD1 ASP A 51 -2.772 -8.192 -48.527 1.00 54.15 O ATOM 765 OD2 ASP A 51 -3.305 -8.619 -46.439 1.00 62.22 O ATOM 0 H ASP A 51 -6.091 -4.561 -47.193 1.00 4.52 H new ATOM 0 HA ASP A 51 -5.548 -7.101 -48.625 1.00 51.23 H new ATOM 0 HB2 ASP A 51 -3.417 -5.786 -47.951 1.00 43.42 H new ATOM 0 HB3 ASP A 51 -3.871 -6.138 -46.295 1.00 43.42 H new ATOM 770 N GLY A 52 -7.131 -8.068 -46.995 1.00 64.23 N ATOM 771 CA GLY A 52 -8.053 -8.679 -46.053 1.00 20.04 C ATOM 772 C GLY A 52 -7.334 -9.483 -44.990 1.00 41.33 C ATOM 773 O GLY A 52 -6.406 -10.234 -45.301 1.00 22.22 O ATOM 0 H GLY A 52 -7.171 -8.455 -47.938 1.00 64.23 H new ATOM 0 HA2 GLY A 52 -8.651 -7.902 -45.576 1.00 20.04 H new ATOM 0 HA3 GLY A 52 -8.744 -9.328 -46.592 1.00 20.04 H new ATOM 777 N ARG A 53 -7.774 -9.356 -43.742 1.00 44.32 N ATOM 778 CA ARG A 53 -7.099 -9.995 -42.623 1.00 1.42 C ATOM 779 C ARG A 53 -8.110 -10.381 -41.534 1.00 33.53 C ATOM 780 O ARG A 53 -9.025 -9.616 -41.216 1.00 63.13 O ATOM 781 CB ARG A 53 -6.033 -9.032 -42.069 1.00 71.31 C ATOM 782 CG ARG A 53 -4.996 -9.685 -41.161 1.00 52.10 C ATOM 783 CD ARG A 53 -3.834 -8.736 -40.876 1.00 42.02 C ATOM 784 NE ARG A 53 -2.769 -9.368 -40.087 1.00 21.24 N ATOM 785 CZ ARG A 53 -1.477 -9.029 -40.170 1.00 61.51 C ATOM 786 NH1 ARG A 53 -1.075 -8.104 -41.037 1.00 32.45 N ATOM 787 NH2 ARG A 53 -0.583 -9.626 -39.391 1.00 4.41 N ATOM 0 H ARG A 53 -8.598 -8.814 -43.482 1.00 44.32 H new ATOM 0 HA ARG A 53 -6.614 -10.911 -42.961 1.00 1.42 H new ATOM 0 HB2 ARG A 53 -5.518 -8.561 -42.906 1.00 71.31 H new ATOM 0 HB3 ARG A 53 -6.533 -8.238 -41.515 1.00 71.31 H new ATOM 0 HG2 ARG A 53 -5.465 -9.981 -40.223 1.00 52.10 H new ATOM 0 HG3 ARG A 53 -4.620 -10.594 -41.630 1.00 52.10 H new ATOM 0 HD2 ARG A 53 -3.420 -8.381 -41.820 1.00 42.02 H new ATOM 0 HD3 ARG A 53 -4.206 -7.862 -40.342 1.00 42.02 H new ATOM 0 HE ARG A 53 -3.029 -10.110 -39.437 1.00 21.24 H new ATOM 0 HH11 ARG A 53 -1.754 -7.646 -41.646 1.00 32.45 H new ATOM 0 HH12 ARG A 53 -0.088 -7.852 -41.093 1.00 32.45 H new ATOM 0 HH21 ARG A 53 -0.881 -10.343 -38.729 1.00 4.41 H new ATOM 0 HH22 ARG A 53 0.402 -9.368 -39.454 1.00 4.41 H new ATOM 801 N PHE A 54 -7.952 -11.577 -40.983 1.00 54.13 N ATOM 802 CA PHE A 54 -8.787 -12.042 -39.882 1.00 71.03 C ATOM 803 C PHE A 54 -8.320 -11.418 -38.566 1.00 14.50 C ATOM 804 O PHE A 54 -7.124 -11.182 -38.376 1.00 62.12 O ATOM 805 CB PHE A 54 -8.735 -13.570 -39.780 1.00 75.12 C ATOM 806 CG PHE A 54 -9.395 -14.294 -40.928 1.00 4.21 C ATOM 807 CD1 PHE A 54 -8.697 -14.559 -42.098 1.00 10.32 C ATOM 808 CD2 PHE A 54 -10.714 -14.719 -40.830 1.00 43.03 C ATOM 809 CE1 PHE A 54 -9.302 -15.233 -43.144 1.00 10.31 C ATOM 810 CE2 PHE A 54 -11.322 -15.389 -41.874 1.00 64.24 C ATOM 811 CZ PHE A 54 -10.616 -15.647 -43.032 1.00 33.43 C ATOM 0 H PHE A 54 -7.246 -12.249 -41.284 1.00 54.13 H new ATOM 0 HA PHE A 54 -9.815 -11.737 -40.076 1.00 71.03 H new ATOM 0 HB2 PHE A 54 -7.693 -13.883 -39.720 1.00 75.12 H new ATOM 0 HB3 PHE A 54 -9.214 -13.876 -38.850 1.00 75.12 H new ATOM 0 HD1 PHE A 54 -7.671 -14.236 -42.193 1.00 10.32 H new ATOM 0 HD2 PHE A 54 -11.271 -14.523 -39.926 1.00 43.03 H new ATOM 0 HE1 PHE A 54 -8.747 -15.436 -44.048 1.00 10.31 H new ATOM 0 HE2 PHE A 54 -12.349 -15.711 -41.784 1.00 64.24 H new ATOM 0 HZ PHE A 54 -11.090 -16.171 -43.849 1.00 33.43 H new ATOM 821 N PRO A 55 -9.255 -11.149 -37.637 1.00 32.51 N ATOM 822 CA PRO A 55 -8.941 -10.521 -36.342 1.00 12.25 C ATOM 823 C PRO A 55 -8.014 -11.372 -35.464 1.00 74.21 C ATOM 824 O PRO A 55 -7.521 -10.900 -34.437 1.00 2.34 O ATOM 825 CB PRO A 55 -10.318 -10.354 -35.673 1.00 42.22 C ATOM 826 CG PRO A 55 -11.305 -10.457 -36.788 1.00 14.43 C ATOM 827 CD PRO A 55 -10.699 -11.413 -37.776 1.00 41.45 C ATOM 0 HA PRO A 55 -8.401 -9.584 -36.479 1.00 12.25 H new ATOM 0 HB2 PRO A 55 -10.488 -11.126 -34.923 1.00 42.22 H new ATOM 0 HB3 PRO A 55 -10.396 -9.393 -35.165 1.00 42.22 H new ATOM 0 HG2 PRO A 55 -12.267 -10.823 -36.428 1.00 14.43 H new ATOM 0 HG3 PRO A 55 -11.485 -9.483 -37.244 1.00 14.43 H new ATOM 0 HD2 PRO A 55 -10.946 -12.448 -37.542 1.00 41.45 H new ATOM 0 HD3 PRO A 55 -11.050 -11.224 -38.791 1.00 41.45 H new ATOM 835 N ASP A 56 -7.785 -12.625 -35.859 1.00 72.30 N ATOM 836 CA ASP A 56 -6.896 -13.516 -35.102 1.00 2.21 C ATOM 837 C ASP A 56 -5.445 -13.348 -35.550 1.00 31.10 C ATOM 838 O ASP A 56 -4.532 -13.945 -34.968 1.00 51.45 O ATOM 839 CB ASP A 56 -7.325 -14.989 -35.244 1.00 33.21 C ATOM 840 CG ASP A 56 -6.984 -15.603 -36.599 1.00 3.34 C ATOM 841 OD1 ASP A 56 -5.877 -16.166 -36.745 1.00 1.05 O ATOM 842 OD2 ASP A 56 -7.822 -15.549 -37.518 1.00 33.45 O ATOM 0 H ASP A 56 -8.198 -13.046 -36.691 1.00 72.30 H new ATOM 0 HA ASP A 56 -6.973 -13.237 -34.051 1.00 2.21 H new ATOM 0 HB2 ASP A 56 -6.845 -15.574 -34.460 1.00 33.21 H new ATOM 0 HB3 ASP A 56 -8.401 -15.061 -35.083 1.00 33.21 H new ATOM 847 N GLY A 57 -5.241 -12.533 -36.584 1.00 5.43 N ATOM 848 CA GLY A 57 -3.907 -12.292 -37.118 1.00 3.42 C ATOM 849 C GLY A 57 -3.737 -12.896 -38.499 1.00 52.54 C ATOM 850 O GLY A 57 -2.904 -12.444 -39.292 1.00 13.40 O ATOM 0 H GLY A 57 -5.985 -12.029 -37.067 1.00 5.43 H new ATOM 0 HA2 GLY A 57 -3.723 -11.219 -37.165 1.00 3.42 H new ATOM 0 HA3 GLY A 57 -3.163 -12.714 -36.442 1.00 3.42 H new ATOM 854 N LYS A 58 -4.541 -13.916 -38.776 1.00 22.23 N ATOM 855 CA LYS A 58 -4.530 -14.619 -40.058 1.00 64.14 C ATOM 856 C LYS A 58 -4.831 -13.658 -41.210 1.00 44.42 C ATOM 857 O LYS A 58 -5.564 -12.690 -41.036 1.00 32.12 O ATOM 858 CB LYS A 58 -5.589 -15.725 -40.021 1.00 2.04 C ATOM 859 CG LYS A 58 -5.639 -16.618 -41.256 1.00 64.13 C ATOM 860 CD LYS A 58 -6.870 -17.531 -41.253 1.00 2.12 C ATOM 861 CE LYS A 58 -6.857 -18.566 -40.123 1.00 51.22 C ATOM 862 NZ LYS A 58 -6.932 -17.956 -38.762 1.00 12.14 N ATOM 0 H LYS A 58 -5.225 -14.283 -38.114 1.00 22.23 H new ATOM 0 HA LYS A 58 -3.541 -15.046 -40.222 1.00 64.14 H new ATOM 0 HB2 LYS A 58 -5.407 -16.351 -39.147 1.00 2.04 H new ATOM 0 HB3 LYS A 58 -6.568 -15.264 -39.886 1.00 2.04 H new ATOM 0 HG2 LYS A 58 -5.650 -15.998 -42.152 1.00 64.13 H new ATOM 0 HG3 LYS A 58 -4.736 -17.227 -41.300 1.00 64.13 H new ATOM 0 HD2 LYS A 58 -7.767 -16.918 -41.164 1.00 2.12 H new ATOM 0 HD3 LYS A 58 -6.931 -18.049 -42.210 1.00 2.12 H new ATOM 0 HE2 LYS A 58 -7.697 -19.248 -40.255 1.00 51.22 H new ATOM 0 HE3 LYS A 58 -5.948 -19.163 -40.197 1.00 51.22 H new ATOM 0 HZ1 LYS A 58 -7.542 -18.539 -38.154 1.00 12.14 H new ATOM 0 HZ2 LYS A 58 -5.978 -17.907 -38.351 1.00 12.14 H new ATOM 0 HZ3 LYS A 58 -7.328 -16.997 -38.833 1.00 12.14 H new ATOM 876 N GLN A 59 -4.263 -13.926 -42.379 1.00 62.31 N ATOM 877 CA GLN A 59 -4.549 -13.142 -43.582 1.00 30.32 C ATOM 878 C GLN A 59 -5.655 -13.819 -44.399 1.00 0.55 C ATOM 879 O GLN A 59 -5.722 -15.046 -44.457 1.00 71.44 O ATOM 880 CB GLN A 59 -3.272 -12.977 -44.421 1.00 41.23 C ATOM 881 CG GLN A 59 -3.502 -12.400 -45.815 1.00 10.35 C ATOM 882 CD GLN A 59 -2.206 -12.157 -46.565 1.00 72.33 C ATOM 883 OE1 GLN A 59 -1.662 -13.066 -47.195 1.00 24.21 O ATOM 884 NE2 GLN A 59 -1.723 -10.927 -46.539 1.00 55.00 N ATOM 0 H GLN A 59 -3.597 -14.685 -42.524 1.00 62.31 H new ATOM 0 HA GLN A 59 -4.896 -12.151 -43.289 1.00 30.32 H new ATOM 0 HB2 GLN A 59 -2.580 -12.329 -43.883 1.00 41.23 H new ATOM 0 HB3 GLN A 59 -2.788 -13.949 -44.519 1.00 41.23 H new ATOM 0 HG2 GLN A 59 -4.127 -13.084 -46.389 1.00 10.35 H new ATOM 0 HG3 GLN A 59 -4.050 -11.462 -45.730 1.00 10.35 H new ATOM 0 HE21 GLN A 59 -2.203 -10.202 -46.006 1.00 55.00 H new ATOM 0 HE22 GLN A 59 -0.871 -10.703 -47.052 1.00 55.00 H new ATOM 893 N PHE A 60 -6.519 -13.013 -45.013 1.00 4.41 N ATOM 894 CA PHE A 60 -7.642 -13.522 -45.801 1.00 50.42 C ATOM 895 C PHE A 60 -7.206 -13.799 -47.241 1.00 13.13 C ATOM 896 O PHE A 60 -7.358 -14.912 -47.746 1.00 51.22 O ATOM 897 CB PHE A 60 -8.806 -12.513 -45.774 1.00 41.42 C ATOM 898 CG PHE A 60 -10.015 -12.924 -46.585 1.00 61.13 C ATOM 899 CD1 PHE A 60 -10.956 -13.800 -46.061 1.00 12.31 C ATOM 900 CD2 PHE A 60 -10.212 -12.429 -47.869 1.00 40.54 C ATOM 901 CE1 PHE A 60 -12.063 -14.175 -46.801 1.00 10.14 C ATOM 902 CE2 PHE A 60 -11.318 -12.801 -48.610 1.00 73.53 C ATOM 903 CZ PHE A 60 -12.243 -13.674 -48.077 1.00 13.11 C ATOM 0 H PHE A 60 -6.462 -11.995 -44.980 1.00 4.41 H new ATOM 0 HA PHE A 60 -7.981 -14.460 -45.361 1.00 50.42 H new ATOM 0 HB2 PHE A 60 -9.114 -12.361 -44.739 1.00 41.42 H new ATOM 0 HB3 PHE A 60 -8.446 -11.553 -46.144 1.00 41.42 H new ATOM 0 HD1 PHE A 60 -10.822 -14.193 -45.064 1.00 12.31 H new ATOM 0 HD2 PHE A 60 -9.492 -11.745 -48.293 1.00 40.54 H new ATOM 0 HE1 PHE A 60 -12.786 -14.859 -46.382 1.00 10.14 H new ATOM 0 HE2 PHE A 60 -11.458 -12.408 -49.606 1.00 73.53 H new ATOM 0 HZ PHE A 60 -13.107 -13.966 -48.656 1.00 13.11 H new ATOM 913 N ASP A 61 -6.657 -12.782 -47.897 1.00 72.13 N ATOM 914 CA ASP A 61 -6.192 -12.917 -49.276 1.00 21.25 C ATOM 915 C ASP A 61 -4.867 -12.200 -49.458 1.00 45.30 C ATOM 916 O ASP A 61 -4.714 -11.048 -49.049 1.00 20.32 O ATOM 917 CB ASP A 61 -7.227 -12.359 -50.268 1.00 71.44 C ATOM 918 CG ASP A 61 -6.723 -12.365 -51.711 1.00 31.53 C ATOM 919 OD1 ASP A 61 -6.133 -13.381 -52.142 1.00 42.41 O ATOM 920 OD2 ASP A 61 -6.912 -11.352 -52.423 1.00 45.10 O ATOM 0 H ASP A 61 -6.522 -11.854 -47.497 1.00 72.13 H new ATOM 0 HA ASP A 61 -6.057 -13.979 -49.481 1.00 21.25 H new ATOM 0 HB2 ASP A 61 -8.141 -12.950 -50.204 1.00 71.44 H new ATOM 0 HB3 ASP A 61 -7.486 -11.340 -49.982 1.00 71.44 H new ATOM 925 N SER A 62 -3.911 -12.890 -50.066 1.00 2.52 N ATOM 926 CA SER A 62 -2.604 -12.315 -50.330 1.00 22.13 C ATOM 927 C SER A 62 -2.687 -11.355 -51.512 1.00 22.13 C ATOM 928 O SER A 62 -2.424 -11.734 -52.655 1.00 25.20 O ATOM 929 CB SER A 62 -1.599 -13.435 -50.619 1.00 73.41 C ATOM 930 OG SER A 62 -1.590 -14.392 -49.571 1.00 51.41 O ATOM 0 H SER A 62 -4.020 -13.852 -50.386 1.00 2.52 H new ATOM 0 HA SER A 62 -2.270 -11.758 -49.455 1.00 22.13 H new ATOM 0 HB2 SER A 62 -1.853 -13.923 -51.560 1.00 73.41 H new ATOM 0 HB3 SER A 62 -0.602 -13.012 -50.739 1.00 73.41 H new ATOM 0 HG SER A 62 -1.582 -13.930 -48.707 1.00 51.41 H new ATOM 936 N SER A 63 -3.061 -10.111 -51.234 1.00 2.54 N ATOM 937 CA SER A 63 -3.208 -9.111 -52.282 1.00 61.15 C ATOM 938 C SER A 63 -1.889 -8.372 -52.485 1.00 30.33 C ATOM 939 O SER A 63 -1.423 -8.201 -53.615 1.00 20.53 O ATOM 940 CB SER A 63 -4.331 -8.132 -51.926 1.00 5.12 C ATOM 941 OG SER A 63 -4.035 -7.438 -50.730 1.00 11.23 O ATOM 0 H SER A 63 -3.267 -9.773 -50.294 1.00 2.54 H new ATOM 0 HA SER A 63 -3.473 -9.608 -53.215 1.00 61.15 H new ATOM 0 HB2 SER A 63 -4.470 -7.420 -52.740 1.00 5.12 H new ATOM 0 HB3 SER A 63 -5.270 -8.674 -51.814 1.00 5.12 H new ATOM 0 HG SER A 63 -4.593 -6.634 -50.672 1.00 11.23 H new ATOM 947 N ARG A 64 -1.278 -7.951 -51.376 1.00 62.05 N ATOM 948 CA ARG A 64 0.027 -7.290 -51.420 1.00 51.31 C ATOM 949 C ARG A 64 1.068 -8.224 -52.025 1.00 11.31 C ATOM 950 O ARG A 64 1.996 -7.786 -52.704 1.00 41.21 O ATOM 951 CB ARG A 64 0.455 -6.841 -50.015 1.00 11.31 C ATOM 952 CG ARG A 64 0.539 -7.971 -48.991 1.00 31.34 C ATOM 953 CD ARG A 64 0.844 -7.440 -47.596 1.00 61.25 C ATOM 954 NE ARG A 64 0.906 -8.510 -46.598 1.00 63.21 N ATOM 955 CZ ARG A 64 0.208 -8.512 -45.462 1.00 44.35 C ATOM 956 NH1 ARG A 64 -0.622 -7.515 -45.188 1.00 70.45 N ATOM 957 NH2 ARG A 64 0.335 -9.516 -44.604 1.00 74.42 N ATOM 0 H ARG A 64 -1.665 -8.056 -50.438 1.00 62.05 H new ATOM 0 HA ARG A 64 -0.054 -6.403 -52.049 1.00 51.31 H new ATOM 0 HB2 ARG A 64 1.428 -6.355 -50.083 1.00 11.31 H new ATOM 0 HB3 ARG A 64 -0.251 -6.092 -49.655 1.00 11.31 H new ATOM 0 HG2 ARG A 64 -0.403 -8.519 -48.975 1.00 31.34 H new ATOM 0 HG3 ARG A 64 1.314 -8.677 -49.290 1.00 31.34 H new ATOM 0 HD2 ARG A 64 1.794 -6.905 -47.612 1.00 61.25 H new ATOM 0 HD3 ARG A 64 0.078 -6.720 -47.307 1.00 61.25 H new ATOM 0 HE ARG A 64 1.521 -9.302 -46.783 1.00 63.21 H new ATOM 0 HH11 ARG A 64 -0.728 -6.744 -45.847 1.00 70.45 H new ATOM 0 HH12 ARG A 64 -1.155 -7.519 -44.318 1.00 70.45 H new ATOM 0 HH21 ARG A 64 0.968 -10.288 -44.813 1.00 74.42 H new ATOM 0 HH22 ARG A 64 -0.200 -9.515 -43.736 1.00 74.42 H new ATOM 971 N SER A 65 0.879 -9.518 -51.797 1.00 10.31 N ATOM 972 CA SER A 65 1.796 -10.540 -52.283 1.00 43.24 C ATOM 973 C SER A 65 1.705 -10.694 -53.804 1.00 30.11 C ATOM 974 O SER A 65 2.536 -11.364 -54.418 1.00 40.21 O ATOM 975 CB SER A 65 1.475 -11.865 -51.593 1.00 13.31 C ATOM 976 OG SER A 65 1.227 -11.655 -50.212 1.00 52.33 O ATOM 0 H SER A 65 0.087 -9.887 -51.271 1.00 10.31 H new ATOM 0 HA SER A 65 2.816 -10.238 -52.047 1.00 43.24 H new ATOM 0 HB2 SER A 65 0.604 -12.324 -52.060 1.00 13.31 H new ATOM 0 HB3 SER A 65 2.306 -12.559 -51.719 1.00 13.31 H new ATOM 0 HG SER A 65 1.337 -12.500 -49.728 1.00 52.33 H new ATOM 982 N ARG A 66 0.686 -10.083 -54.410 1.00 45.31 N ATOM 983 CA ARG A 66 0.534 -10.103 -55.866 1.00 14.00 C ATOM 984 C ARG A 66 1.190 -8.868 -56.483 1.00 1.23 C ATOM 985 O ARG A 66 1.218 -8.710 -57.704 1.00 33.32 O ATOM 986 CB ARG A 66 -0.951 -10.202 -56.263 1.00 41.14 C ATOM 987 CG ARG A 66 -1.611 -11.507 -55.812 1.00 42.33 C ATOM 988 CD ARG A 66 -2.986 -11.729 -56.444 1.00 1.51 C ATOM 989 NE ARG A 66 -3.999 -10.771 -55.980 1.00 14.23 N ATOM 990 CZ ARG A 66 -4.853 -11.010 -54.978 1.00 13.50 C ATOM 991 NH1 ARG A 66 -4.744 -12.110 -54.244 1.00 2.55 N ATOM 992 NH2 ARG A 66 -5.817 -10.141 -54.702 1.00 75.44 N ATOM 0 H ARG A 66 -0.045 -9.569 -53.917 1.00 45.31 H new ATOM 0 HA ARG A 66 1.038 -10.988 -56.255 1.00 14.00 H new ATOM 0 HB2 ARG A 66 -1.493 -9.361 -55.831 1.00 41.14 H new ATOM 0 HB3 ARG A 66 -1.037 -10.114 -57.346 1.00 41.14 H new ATOM 0 HG2 ARG A 66 -0.961 -12.344 -56.066 1.00 42.33 H new ATOM 0 HG3 ARG A 66 -1.712 -11.501 -54.727 1.00 42.33 H new ATOM 0 HD2 ARG A 66 -2.896 -11.656 -57.528 1.00 1.51 H new ATOM 0 HD3 ARG A 66 -3.323 -12.741 -56.219 1.00 1.51 H new ATOM 0 HE ARG A 66 -4.055 -9.868 -56.451 1.00 14.23 H new ATOM 0 HH11 ARG A 66 -4.004 -12.783 -54.441 1.00 2.55 H new ATOM 0 HH12 ARG A 66 -5.400 -12.282 -53.483 1.00 2.55 H new ATOM 0 HH21 ARG A 66 -5.908 -9.288 -55.254 1.00 75.44 H new ATOM 0 HH22 ARG A 66 -6.467 -10.326 -53.938 1.00 75.44 H new ATOM 1006 N GLY A 67 1.721 -8.000 -55.617 1.00 34.51 N ATOM 1007 CA GLY A 67 2.483 -6.842 -56.061 1.00 34.10 C ATOM 1008 C GLY A 67 1.731 -5.951 -57.036 1.00 63.33 C ATOM 1009 O GLY A 67 2.320 -5.434 -57.989 1.00 1.24 O ATOM 0 H GLY A 67 1.634 -8.082 -54.604 1.00 34.51 H new ATOM 0 HA2 GLY A 67 2.770 -6.252 -55.191 1.00 34.10 H new ATOM 0 HA3 GLY A 67 3.405 -7.184 -56.532 1.00 34.10 H new ATOM 1013 N LYS A 68 0.438 -5.763 -56.800 1.00 75.34 N ATOM 1014 CA LYS A 68 -0.384 -4.922 -57.666 1.00 45.14 C ATOM 1015 C LYS A 68 -1.390 -4.120 -56.839 1.00 23.21 C ATOM 1016 O LYS A 68 -2.172 -4.695 -56.078 1.00 4.34 O ATOM 1017 CB LYS A 68 -1.118 -5.776 -58.710 1.00 40.24 C ATOM 1018 CG LYS A 68 -1.954 -4.959 -59.693 1.00 60.33 C ATOM 1019 CD LYS A 68 -2.592 -5.835 -60.767 1.00 74.22 C ATOM 1020 CE LYS A 68 -3.410 -5.009 -61.755 1.00 64.14 C ATOM 1021 NZ LYS A 68 -2.600 -3.945 -62.409 1.00 71.10 N ATOM 0 H LYS A 68 -0.065 -6.181 -56.017 1.00 75.34 H new ATOM 0 HA LYS A 68 0.273 -4.225 -58.186 1.00 45.14 H new ATOM 0 HB2 LYS A 68 -0.386 -6.361 -59.267 1.00 40.24 H new ATOM 0 HB3 LYS A 68 -1.767 -6.484 -58.196 1.00 40.24 H new ATOM 0 HG2 LYS A 68 -2.734 -4.426 -59.150 1.00 60.33 H new ATOM 0 HG3 LYS A 68 -1.324 -4.206 -60.166 1.00 60.33 H new ATOM 0 HD2 LYS A 68 -1.814 -6.378 -61.303 1.00 74.22 H new ATOM 0 HD3 LYS A 68 -3.234 -6.579 -60.296 1.00 74.22 H new ATOM 0 HE2 LYS A 68 -3.826 -5.667 -62.518 1.00 64.14 H new ATOM 0 HE3 LYS A 68 -4.252 -4.553 -61.234 1.00 64.14 H new ATOM 0 HZ1 LYS A 68 -3.117 -3.570 -63.230 1.00 71.10 H new ATOM 0 HZ2 LYS A 68 -2.423 -3.177 -61.731 1.00 71.10 H new ATOM 0 HZ3 LYS A 68 -1.693 -4.344 -62.724 1.00 71.10 H new ATOM 1035 N PRO A 69 -1.358 -2.777 -56.952 1.00 1.43 N ATOM 1036 CA PRO A 69 -2.332 -1.904 -56.299 1.00 41.05 C ATOM 1037 C PRO A 69 -3.615 -1.762 -57.125 1.00 63.34 C ATOM 1038 O PRO A 69 -3.719 -2.294 -58.233 1.00 73.21 O ATOM 1039 CB PRO A 69 -1.582 -0.572 -56.209 1.00 65.54 C ATOM 1040 CG PRO A 69 -0.711 -0.556 -57.421 1.00 33.42 C ATOM 1041 CD PRO A 69 -0.354 -1.998 -57.711 1.00 34.41 C ATOM 0 HA PRO A 69 -2.664 -2.285 -55.333 1.00 41.05 H new ATOM 0 HB2 PRO A 69 -2.271 0.273 -56.203 1.00 65.54 H new ATOM 0 HB3 PRO A 69 -0.992 -0.509 -55.295 1.00 65.54 H new ATOM 0 HG2 PRO A 69 -1.231 -0.107 -58.267 1.00 33.42 H new ATOM 0 HG3 PRO A 69 0.186 0.038 -57.247 1.00 33.42 H new ATOM 0 HD2 PRO A 69 -0.405 -2.215 -58.778 1.00 34.41 H new ATOM 0 HD3 PRO A 69 0.660 -2.231 -57.386 1.00 34.41 H new ATOM 1049 N PHE A 70 -4.573 -1.025 -56.583 1.00 41.12 N ATOM 1050 CA PHE A 70 -5.880 -0.849 -57.207 1.00 52.04 C ATOM 1051 C PHE A 70 -6.287 0.622 -57.152 1.00 55.23 C ATOM 1052 O PHE A 70 -6.210 1.253 -56.101 1.00 31.10 O ATOM 1053 CB PHE A 70 -6.918 -1.726 -56.487 1.00 51.25 C ATOM 1054 CG PHE A 70 -8.325 -1.584 -57.013 1.00 44.01 C ATOM 1055 CD1 PHE A 70 -8.706 -2.203 -58.197 1.00 50.33 C ATOM 1056 CD2 PHE A 70 -9.269 -0.835 -56.320 1.00 54.02 C ATOM 1057 CE1 PHE A 70 -9.997 -2.077 -58.677 1.00 71.23 C ATOM 1058 CE2 PHE A 70 -10.560 -0.709 -56.796 1.00 42.20 C ATOM 1059 CZ PHE A 70 -10.924 -1.330 -57.975 1.00 20.44 C ATOM 0 H PHE A 70 -4.468 -0.531 -55.697 1.00 41.12 H new ATOM 0 HA PHE A 70 -5.829 -1.154 -58.252 1.00 52.04 H new ATOM 0 HB2 PHE A 70 -6.615 -2.770 -56.571 1.00 51.25 H new ATOM 0 HB3 PHE A 70 -6.913 -1.477 -55.426 1.00 51.25 H new ATOM 0 HD1 PHE A 70 -7.986 -2.789 -58.749 1.00 50.33 H new ATOM 0 HD2 PHE A 70 -8.990 -0.346 -55.399 1.00 54.02 H new ATOM 0 HE1 PHE A 70 -10.280 -2.562 -59.599 1.00 71.23 H new ATOM 0 HE2 PHE A 70 -11.284 -0.125 -56.247 1.00 42.20 H new ATOM 0 HZ PHE A 70 -11.933 -1.232 -58.348 1.00 20.44 H new ATOM 1069 N GLN A 71 -6.695 1.171 -58.290 1.00 45.33 N ATOM 1070 CA GLN A 71 -7.127 2.566 -58.363 1.00 52.35 C ATOM 1071 C GLN A 71 -8.650 2.649 -58.360 1.00 12.44 C ATOM 1072 O GLN A 71 -9.322 1.809 -58.963 1.00 73.44 O ATOM 1073 CB GLN A 71 -6.580 3.237 -59.630 1.00 41.45 C ATOM 1074 CG GLN A 71 -5.059 3.329 -59.681 1.00 24.22 C ATOM 1075 CD GLN A 71 -4.561 4.014 -60.943 1.00 52.53 C ATOM 1076 OE1 GLN A 71 -5.190 3.928 -62.001 1.00 33.44 O ATOM 1077 NE2 GLN A 71 -3.436 4.703 -60.845 1.00 75.03 N ATOM 0 H GLN A 71 -6.737 0.672 -59.178 1.00 45.33 H new ATOM 0 HA GLN A 71 -6.736 3.088 -57.490 1.00 52.35 H new ATOM 0 HB2 GLN A 71 -6.929 2.682 -60.501 1.00 41.45 H new ATOM 0 HB3 GLN A 71 -6.996 4.242 -59.704 1.00 41.45 H new ATOM 0 HG2 GLN A 71 -4.702 3.876 -58.809 1.00 24.22 H new ATOM 0 HG3 GLN A 71 -4.635 2.326 -59.624 1.00 24.22 H new ATOM 0 HE21 GLN A 71 -2.944 4.751 -59.953 1.00 75.03 H new ATOM 0 HE22 GLN A 71 -3.061 5.186 -61.661 1.00 75.03 H new ATOM 1086 N PHE A 72 -9.192 3.654 -57.677 1.00 73.33 N ATOM 1087 CA PHE A 72 -10.633 3.893 -57.689 1.00 2.55 C ATOM 1088 C PHE A 72 -10.927 5.361 -57.404 1.00 20.34 C ATOM 1089 O PHE A 72 -10.092 6.073 -56.844 1.00 61.22 O ATOM 1090 CB PHE A 72 -11.361 2.987 -56.674 1.00 25.13 C ATOM 1091 CG PHE A 72 -11.319 3.475 -55.242 1.00 43.44 C ATOM 1092 CD1 PHE A 72 -10.182 3.313 -54.465 1.00 1.40 C ATOM 1093 CD2 PHE A 72 -12.426 4.095 -54.674 1.00 73.40 C ATOM 1094 CE1 PHE A 72 -10.151 3.757 -53.155 1.00 5.31 C ATOM 1095 CE2 PHE A 72 -12.398 4.541 -53.366 1.00 1.11 C ATOM 1096 CZ PHE A 72 -11.259 4.373 -52.606 1.00 32.03 C ATOM 0 H PHE A 72 -8.658 4.313 -57.111 1.00 73.33 H new ATOM 0 HA PHE A 72 -11.008 3.646 -58.682 1.00 2.55 H new ATOM 0 HB2 PHE A 72 -12.403 2.888 -56.979 1.00 25.13 H new ATOM 0 HB3 PHE A 72 -10.921 1.991 -56.716 1.00 25.13 H new ATOM 0 HD1 PHE A 72 -9.311 2.835 -54.887 1.00 1.40 H new ATOM 0 HD2 PHE A 72 -13.321 4.230 -55.263 1.00 73.40 H new ATOM 0 HE1 PHE A 72 -9.259 3.622 -52.561 1.00 5.31 H new ATOM 0 HE2 PHE A 72 -13.267 5.020 -52.940 1.00 1.11 H new ATOM 0 HZ PHE A 72 -11.234 4.722 -51.584 1.00 32.03 H new ATOM 1106 N THR A 73 -12.104 5.811 -57.814 1.00 51.11 N ATOM 1107 CA THR A 73 -12.532 7.178 -57.571 1.00 1.20 C ATOM 1108 C THR A 73 -13.136 7.297 -56.170 1.00 62.13 C ATOM 1109 O THR A 73 -14.214 6.761 -55.904 1.00 74.23 O ATOM 1110 CB THR A 73 -13.564 7.623 -58.631 1.00 52.41 C ATOM 1111 OG1 THR A 73 -13.053 7.343 -59.945 1.00 54.54 O ATOM 1112 CG2 THR A 73 -13.879 9.115 -58.510 1.00 75.20 C ATOM 0 H THR A 73 -12.783 5.243 -58.320 1.00 51.11 H new ATOM 0 HA THR A 73 -11.661 7.830 -57.641 1.00 1.20 H new ATOM 0 HB THR A 73 -14.487 7.067 -58.463 1.00 52.41 H new ATOM 0 HG1 THR A 73 -13.708 7.624 -60.617 1.00 54.54 H new ATOM 0 HG21 THR A 73 -14.608 9.396 -59.270 1.00 75.20 H new ATOM 0 HG22 THR A 73 -14.288 9.321 -57.521 1.00 75.20 H new ATOM 0 HG23 THR A 73 -12.966 9.692 -58.653 1.00 75.20 H new ATOM 1120 N LEU A 74 -12.423 7.972 -55.273 1.00 41.42 N ATOM 1121 CA LEU A 74 -12.880 8.140 -53.895 1.00 2.01 C ATOM 1122 C LEU A 74 -14.120 9.033 -53.849 1.00 50.22 C ATOM 1123 O LEU A 74 -14.222 10.007 -54.601 1.00 44.43 O ATOM 1124 CB LEU A 74 -11.756 8.731 -53.026 1.00 4.02 C ATOM 1125 CG LEU A 74 -12.093 8.920 -51.532 1.00 75.13 C ATOM 1126 CD1 LEU A 74 -12.508 7.597 -50.895 1.00 51.31 C ATOM 1127 CD2 LEU A 74 -10.907 9.528 -50.782 1.00 40.31 C ATOM 0 H LEU A 74 -11.525 8.412 -55.475 1.00 41.42 H new ATOM 0 HA LEU A 74 -13.146 7.161 -53.496 1.00 2.01 H new ATOM 0 HB2 LEU A 74 -10.883 8.083 -53.103 1.00 4.02 H new ATOM 0 HB3 LEU A 74 -11.472 9.698 -53.440 1.00 4.02 H new ATOM 0 HG LEU A 74 -12.934 9.610 -51.462 1.00 75.13 H new ATOM 0 HD11 LEU A 74 -12.740 7.757 -49.842 1.00 51.31 H new ATOM 0 HD12 LEU A 74 -13.389 7.208 -51.406 1.00 51.31 H new ATOM 0 HD13 LEU A 74 -11.692 6.880 -50.981 1.00 51.31 H new ATOM 0 HD21 LEU A 74 -11.167 9.653 -49.731 1.00 40.31 H new ATOM 0 HD22 LEU A 74 -10.045 8.866 -50.867 1.00 40.31 H new ATOM 0 HD23 LEU A 74 -10.663 10.499 -51.213 1.00 40.31 H new ATOM 1139 N GLY A 75 -15.054 8.695 -52.965 1.00 21.12 N ATOM 1140 CA GLY A 75 -16.310 9.423 -52.877 1.00 51.53 C ATOM 1141 C GLY A 75 -17.347 8.879 -53.839 1.00 33.31 C ATOM 1142 O GLY A 75 -18.230 9.610 -54.298 1.00 41.10 O ATOM 0 H GLY A 75 -14.963 7.924 -52.303 1.00 21.12 H new ATOM 0 HA2 GLY A 75 -16.693 9.364 -51.858 1.00 51.53 H new ATOM 0 HA3 GLY A 75 -16.134 10.477 -53.091 1.00 51.53 H new ATOM 1146 N ALA A 76 -17.233 7.591 -54.147 1.00 23.41 N ATOM 1147 CA ALA A 76 -18.154 6.913 -55.051 1.00 10.02 C ATOM 1148 C ALA A 76 -18.411 5.493 -54.563 1.00 2.44 C ATOM 1149 O ALA A 76 -17.705 4.996 -53.681 1.00 74.43 O ATOM 1150 CB ALA A 76 -17.592 6.904 -56.471 1.00 13.12 C ATOM 0 H ALA A 76 -16.499 6.988 -53.776 1.00 23.41 H new ATOM 0 HA ALA A 76 -19.101 7.452 -55.063 1.00 10.02 H new ATOM 0 HB1 ALA A 76 -18.290 6.395 -57.135 1.00 13.12 H new ATOM 0 HB2 ALA A 76 -17.449 7.929 -56.812 1.00 13.12 H new ATOM 0 HB3 ALA A 76 -16.635 6.382 -56.480 1.00 13.12 H new ATOM 1156 N GLY A 77 -19.401 4.833 -55.156 1.00 45.30 N ATOM 1157 CA GLY A 77 -19.785 3.496 -54.727 1.00 54.35 C ATOM 1158 C GLY A 77 -18.826 2.414 -55.199 1.00 33.32 C ATOM 1159 O GLY A 77 -19.226 1.262 -55.384 1.00 54.41 O ATOM 0 H GLY A 77 -19.949 5.202 -55.933 1.00 45.30 H new ATOM 0 HA2 GLY A 77 -19.840 3.473 -53.639 1.00 54.35 H new ATOM 0 HA3 GLY A 77 -20.784 3.275 -55.102 1.00 54.35 H new ATOM 1163 N GLU A 78 -17.558 2.776 -55.387 1.00 32.55 N ATOM 1164 CA GLU A 78 -16.536 1.822 -55.807 1.00 75.44 C ATOM 1165 C GLU A 78 -16.257 0.833 -54.677 1.00 54.02 C ATOM 1166 O GLU A 78 -15.992 -0.350 -54.911 1.00 2.52 O ATOM 1167 CB GLU A 78 -15.237 2.556 -56.184 1.00 2.50 C ATOM 1168 CG GLU A 78 -15.434 3.727 -57.141 1.00 4.04 C ATOM 1169 CD GLU A 78 -16.046 3.317 -58.469 1.00 63.04 C ATOM 1170 OE1 GLU A 78 -15.301 2.866 -59.361 1.00 1.53 O ATOM 1171 OE2 GLU A 78 -17.272 3.459 -58.633 1.00 75.43 O ATOM 0 H GLU A 78 -17.214 3.727 -55.254 1.00 32.55 H new ATOM 0 HA GLU A 78 -16.901 1.283 -56.681 1.00 75.44 H new ATOM 0 HB2 GLU A 78 -14.763 2.922 -55.273 1.00 2.50 H new ATOM 0 HB3 GLU A 78 -14.549 1.843 -56.638 1.00 2.50 H new ATOM 0 HG2 GLU A 78 -16.074 4.471 -56.667 1.00 4.04 H new ATOM 0 HG3 GLU A 78 -14.471 4.205 -57.324 1.00 4.04 H new ATOM 1178 N VAL A 79 -16.334 1.339 -53.448 1.00 13.45 N ATOM 1179 CA VAL A 79 -16.056 0.553 -52.247 1.00 1.34 C ATOM 1180 C VAL A 79 -17.176 0.734 -51.219 1.00 20.50 C ATOM 1181 O VAL A 79 -17.993 1.650 -51.339 1.00 12.22 O ATOM 1182 CB VAL A 79 -14.704 0.961 -51.603 1.00 22.51 C ATOM 1183 CG1 VAL A 79 -13.532 0.659 -52.538 1.00 2.53 C ATOM 1184 CG2 VAL A 79 -14.715 2.439 -51.202 1.00 32.01 C ATOM 0 H VAL A 79 -16.591 2.307 -53.256 1.00 13.45 H new ATOM 0 HA VAL A 79 -15.998 -0.493 -52.549 1.00 1.34 H new ATOM 0 HB VAL A 79 -14.572 0.365 -50.700 1.00 22.51 H new ATOM 0 HG11 VAL A 79 -12.599 0.956 -52.059 1.00 2.53 H new ATOM 0 HG12 VAL A 79 -13.505 -0.409 -52.755 1.00 2.53 H new ATOM 0 HG13 VAL A 79 -13.656 1.215 -53.468 1.00 2.53 H new ATOM 0 HG21 VAL A 79 -13.757 2.701 -50.753 1.00 32.01 H new ATOM 0 HG22 VAL A 79 -14.882 3.055 -52.086 1.00 32.01 H new ATOM 0 HG23 VAL A 79 -15.514 2.615 -50.481 1.00 32.01 H new ATOM 1194 N ILE A 80 -17.211 -0.142 -50.219 1.00 75.42 N ATOM 1195 CA ILE A 80 -18.197 -0.053 -49.141 1.00 23.41 C ATOM 1196 C ILE A 80 -17.764 0.981 -48.103 1.00 60.52 C ATOM 1197 O ILE A 80 -16.600 1.378 -48.070 1.00 13.14 O ATOM 1198 CB ILE A 80 -18.400 -1.423 -48.445 1.00 73.33 C ATOM 1199 CG1 ILE A 80 -17.055 -1.966 -47.925 1.00 72.25 C ATOM 1200 CG2 ILE A 80 -19.059 -2.416 -49.398 1.00 24.01 C ATOM 1201 CD1 ILE A 80 -17.138 -3.345 -47.301 1.00 43.25 C ATOM 0 H ILE A 80 -16.565 -0.926 -50.131 1.00 75.42 H new ATOM 0 HA ILE A 80 -19.142 0.253 -49.589 1.00 23.41 H new ATOM 0 HB ILE A 80 -19.063 -1.285 -47.591 1.00 73.33 H new ATOM 0 HG12 ILE A 80 -16.345 -1.996 -48.751 1.00 72.25 H new ATOM 0 HG13 ILE A 80 -16.656 -1.270 -47.187 1.00 72.25 H new ATOM 0 HG21 ILE A 80 -19.193 -3.372 -48.892 1.00 24.01 H new ATOM 0 HG22 ILE A 80 -20.030 -2.031 -49.710 1.00 24.01 H new ATOM 0 HG23 ILE A 80 -18.425 -2.555 -50.274 1.00 24.01 H new ATOM 0 HD11 ILE A 80 -16.148 -3.651 -46.962 1.00 43.25 H new ATOM 0 HD12 ILE A 80 -17.821 -3.320 -46.452 1.00 43.25 H new ATOM 0 HD13 ILE A 80 -17.505 -4.057 -48.040 1.00 43.25 H new ATOM 1213 N LYS A 81 -18.699 1.394 -47.244 1.00 23.20 N ATOM 1214 CA LYS A 81 -18.439 2.447 -46.254 1.00 11.25 C ATOM 1215 C LYS A 81 -17.244 2.118 -45.362 1.00 2.21 C ATOM 1216 O LYS A 81 -16.578 3.023 -44.858 1.00 14.32 O ATOM 1217 CB LYS A 81 -19.679 2.707 -45.385 1.00 0.11 C ATOM 1218 CG LYS A 81 -20.766 3.525 -46.078 1.00 41.11 C ATOM 1219 CD LYS A 81 -20.230 4.869 -46.575 1.00 62.14 C ATOM 1220 CE LYS A 81 -21.349 5.800 -47.029 1.00 73.31 C ATOM 1221 NZ LYS A 81 -22.183 6.267 -45.890 1.00 30.33 N ATOM 0 H LYS A 81 -19.646 1.015 -47.213 1.00 23.20 H new ATOM 0 HA LYS A 81 -18.201 3.350 -46.816 1.00 11.25 H new ATOM 0 HB2 LYS A 81 -20.100 1.750 -45.077 1.00 0.11 H new ATOM 0 HB3 LYS A 81 -19.371 3.227 -44.478 1.00 0.11 H new ATOM 0 HG2 LYS A 81 -21.167 2.959 -46.919 1.00 41.11 H new ATOM 0 HG3 LYS A 81 -21.591 3.695 -45.386 1.00 41.11 H new ATOM 0 HD2 LYS A 81 -19.661 5.349 -45.779 1.00 62.14 H new ATOM 0 HD3 LYS A 81 -19.541 4.700 -47.403 1.00 62.14 H new ATOM 0 HE2 LYS A 81 -20.919 6.661 -47.540 1.00 73.31 H new ATOM 0 HE3 LYS A 81 -21.980 5.283 -47.752 1.00 73.31 H new ATOM 0 HZ1 LYS A 81 -22.784 7.057 -46.201 1.00 30.33 H new ATOM 0 HZ2 LYS A 81 -22.783 5.486 -45.556 1.00 30.33 H new ATOM 0 HZ3 LYS A 81 -21.566 6.585 -45.115 1.00 30.33 H new ATOM 1235 N GLY A 82 -16.985 0.830 -45.154 1.00 34.43 N ATOM 1236 CA GLY A 82 -15.830 0.429 -44.369 1.00 31.53 C ATOM 1237 C GLY A 82 -14.532 0.893 -45.004 1.00 11.44 C ATOM 1238 O GLY A 82 -13.772 1.667 -44.410 1.00 11.05 O ATOM 0 H GLY A 82 -17.551 0.061 -45.513 1.00 34.43 H new ATOM 0 HA2 GLY A 82 -15.912 0.843 -43.364 1.00 31.53 H new ATOM 0 HA3 GLY A 82 -15.818 -0.656 -44.267 1.00 31.53 H new ATOM 1242 N TRP A 83 -14.298 0.441 -46.231 1.00 20.04 N ATOM 1243 CA TRP A 83 -13.090 0.796 -46.967 1.00 54.32 C ATOM 1244 C TRP A 83 -13.083 2.289 -47.284 1.00 71.34 C ATOM 1245 O TRP A 83 -12.038 2.932 -47.238 1.00 52.20 O ATOM 1246 CB TRP A 83 -12.992 -0.019 -48.266 1.00 1.15 C ATOM 1247 CG TRP A 83 -13.077 -1.506 -48.060 1.00 60.24 C ATOM 1248 CD1 TRP A 83 -12.697 -2.209 -46.951 1.00 62.11 C ATOM 1249 CD2 TRP A 83 -13.562 -2.476 -48.999 1.00 23.23 C ATOM 1250 NE1 TRP A 83 -12.934 -3.548 -47.138 1.00 5.04 N ATOM 1251 CE2 TRP A 83 -13.459 -3.737 -48.387 1.00 4.34 C ATOM 1252 CE3 TRP A 83 -14.078 -2.397 -50.295 1.00 42.12 C ATOM 1253 CZ2 TRP A 83 -13.854 -4.910 -49.027 1.00 13.44 C ATOM 1254 CZ3 TRP A 83 -14.468 -3.561 -50.929 1.00 3.14 C ATOM 1255 CH2 TRP A 83 -14.354 -4.804 -50.295 1.00 54.32 C ATOM 0 H TRP A 83 -14.933 -0.175 -46.739 1.00 20.04 H new ATOM 0 HA TRP A 83 -12.226 0.564 -46.344 1.00 54.32 H new ATOM 0 HB2 TRP A 83 -13.791 0.291 -48.939 1.00 1.15 H new ATOM 0 HB3 TRP A 83 -12.050 0.216 -48.761 1.00 1.15 H new ATOM 0 HD1 TRP A 83 -12.272 -1.774 -46.058 1.00 62.11 H new ATOM 0 HE1 TRP A 83 -12.749 -4.283 -46.456 1.00 5.04 H new ATOM 0 HE3 TRP A 83 -14.170 -1.443 -50.792 1.00 42.12 H new ATOM 0 HZ2 TRP A 83 -13.768 -5.869 -48.538 1.00 13.44 H new ATOM 0 HZ3 TRP A 83 -14.868 -3.511 -51.931 1.00 3.14 H new ATOM 0 HH2 TRP A 83 -14.667 -5.696 -50.817 1.00 54.32 H new ATOM 1266 N ASP A 84 -14.264 2.826 -47.586 1.00 72.43 N ATOM 1267 CA ASP A 84 -14.429 4.243 -47.920 1.00 32.24 C ATOM 1268 C ASP A 84 -13.898 5.132 -46.796 1.00 32.32 C ATOM 1269 O ASP A 84 -13.023 5.975 -47.015 1.00 11.55 O ATOM 1270 CB ASP A 84 -15.913 4.546 -48.179 1.00 51.14 C ATOM 1271 CG ASP A 84 -16.197 6.022 -48.443 1.00 24.20 C ATOM 1272 OD1 ASP A 84 -16.103 6.456 -49.613 1.00 41.55 O ATOM 1273 OD2 ASP A 84 -16.548 6.745 -47.483 1.00 3.24 O ATOM 0 H ASP A 84 -15.134 2.293 -47.607 1.00 72.43 H new ATOM 0 HA ASP A 84 -13.855 4.457 -48.822 1.00 32.24 H new ATOM 0 HB2 ASP A 84 -16.251 3.961 -49.034 1.00 51.14 H new ATOM 0 HB3 ASP A 84 -16.498 4.220 -47.319 1.00 51.14 H new ATOM 1278 N GLN A 85 -14.404 4.913 -45.585 1.00 53.44 N ATOM 1279 CA GLN A 85 -13.967 5.686 -44.428 1.00 73.31 C ATOM 1280 C GLN A 85 -12.502 5.393 -44.113 1.00 50.41 C ATOM 1281 O GLN A 85 -11.722 6.310 -43.830 1.00 43.23 O ATOM 1282 CB GLN A 85 -14.848 5.379 -43.209 1.00 11.22 C ATOM 1283 CG GLN A 85 -16.303 5.804 -43.383 1.00 25.14 C ATOM 1284 CD GLN A 85 -17.166 5.451 -42.183 1.00 22.14 C ATOM 1285 OE1 GLN A 85 -17.313 6.243 -41.251 1.00 20.15 O ATOM 1286 NE2 GLN A 85 -17.739 4.256 -42.193 1.00 2.41 N ATOM 0 H GLN A 85 -15.114 4.210 -45.381 1.00 53.44 H new ATOM 0 HA GLN A 85 -14.066 6.745 -44.666 1.00 73.31 H new ATOM 0 HB2 GLN A 85 -14.813 4.309 -43.006 1.00 11.22 H new ATOM 0 HB3 GLN A 85 -14.433 5.882 -42.336 1.00 11.22 H new ATOM 0 HG2 GLN A 85 -16.345 6.880 -43.551 1.00 25.14 H new ATOM 0 HG3 GLN A 85 -16.713 5.326 -44.273 1.00 25.14 H new ATOM 0 HE21 GLN A 85 -17.594 3.627 -42.983 1.00 2.41 H new ATOM 0 HE22 GLN A 85 -18.325 3.965 -41.411 1.00 2.41 H new ATOM 1295 N GLY A 86 -12.133 4.114 -44.182 1.00 70.40 N ATOM 1296 CA GLY A 86 -10.763 3.713 -43.902 1.00 62.34 C ATOM 1297 C GLY A 86 -9.750 4.446 -44.765 1.00 13.43 C ATOM 1298 O GLY A 86 -8.764 4.983 -44.258 1.00 1.43 O ATOM 0 H GLY A 86 -12.760 3.348 -44.427 1.00 70.40 H new ATOM 0 HA2 GLY A 86 -10.542 3.900 -42.851 1.00 62.34 H new ATOM 0 HA3 GLY A 86 -10.663 2.640 -44.063 1.00 62.34 H new ATOM 1302 N VAL A 87 -10.001 4.482 -46.071 1.00 54.13 N ATOM 1303 CA VAL A 87 -9.095 5.130 -47.014 1.00 50.24 C ATOM 1304 C VAL A 87 -9.212 6.655 -46.931 1.00 54.40 C ATOM 1305 O VAL A 87 -8.228 7.376 -47.119 1.00 10.11 O ATOM 1306 CB VAL A 87 -9.351 4.656 -48.472 1.00 55.44 C ATOM 1307 CG1 VAL A 87 -10.738 5.071 -48.963 1.00 34.31 C ATOM 1308 CG2 VAL A 87 -8.267 5.173 -49.411 1.00 62.31 C ATOM 0 H VAL A 87 -10.828 4.068 -46.501 1.00 54.13 H new ATOM 0 HA VAL A 87 -8.082 4.840 -46.735 1.00 50.24 H new ATOM 0 HB VAL A 87 -9.313 3.567 -48.473 1.00 55.44 H new ATOM 0 HG11 VAL A 87 -10.881 4.722 -49.986 1.00 34.31 H new ATOM 0 HG12 VAL A 87 -11.499 4.630 -48.319 1.00 34.31 H new ATOM 0 HG13 VAL A 87 -10.824 6.157 -48.934 1.00 34.31 H new ATOM 0 HG21 VAL A 87 -8.469 4.828 -50.425 1.00 62.31 H new ATOM 0 HG22 VAL A 87 -8.260 6.263 -49.394 1.00 62.31 H new ATOM 0 HG23 VAL A 87 -7.296 4.799 -49.087 1.00 62.31 H new ATOM 1318 N ALA A 88 -10.416 7.144 -46.638 1.00 43.42 N ATOM 1319 CA ALA A 88 -10.664 8.583 -46.555 1.00 63.54 C ATOM 1320 C ALA A 88 -9.987 9.203 -45.330 1.00 61.41 C ATOM 1321 O ALA A 88 -9.582 10.365 -45.356 1.00 62.12 O ATOM 1322 CB ALA A 88 -12.164 8.864 -46.530 1.00 72.34 C ATOM 0 H ALA A 88 -11.235 6.565 -46.454 1.00 43.42 H new ATOM 0 HA ALA A 88 -10.231 9.044 -47.443 1.00 63.54 H new ATOM 0 HB1 ALA A 88 -12.332 9.939 -46.468 1.00 72.34 H new ATOM 0 HB2 ALA A 88 -12.622 8.477 -47.440 1.00 72.34 H new ATOM 0 HB3 ALA A 88 -12.611 8.377 -45.664 1.00 72.34 H new ATOM 1328 N THR A 89 -9.868 8.426 -44.255 1.00 71.10 N ATOM 1329 CA THR A 89 -9.320 8.941 -43.001 1.00 21.14 C ATOM 1330 C THR A 89 -7.786 8.854 -42.958 1.00 72.32 C ATOM 1331 O THR A 89 -7.158 9.340 -42.009 1.00 61.43 O ATOM 1332 CB THR A 89 -9.922 8.196 -41.780 1.00 10.23 C ATOM 1333 OG1 THR A 89 -9.602 8.888 -40.563 1.00 70.41 O ATOM 1334 CG2 THR A 89 -9.409 6.760 -41.693 1.00 23.35 C ATOM 0 H THR A 89 -10.142 7.444 -44.226 1.00 71.10 H new ATOM 0 HA THR A 89 -9.599 9.994 -42.950 1.00 21.14 H new ATOM 0 HB THR A 89 -11.003 8.171 -41.914 1.00 10.23 H new ATOM 0 HG1 THR A 89 -8.688 9.237 -40.616 1.00 70.41 H new ATOM 0 HG21 THR A 89 -9.851 6.268 -40.827 1.00 23.35 H new ATOM 0 HG22 THR A 89 -9.686 6.219 -42.598 1.00 23.35 H new ATOM 0 HG23 THR A 89 -8.324 6.767 -41.592 1.00 23.35 H new ATOM 1342 N MET A 90 -7.179 8.259 -43.984 1.00 23.21 N ATOM 1343 CA MET A 90 -5.723 8.072 -44.011 1.00 52.35 C ATOM 1344 C MET A 90 -5.068 9.031 -45.008 1.00 34.44 C ATOM 1345 O MET A 90 -5.755 9.771 -45.711 1.00 64.34 O ATOM 1346 CB MET A 90 -5.375 6.617 -44.358 1.00 2.44 C ATOM 1347 CG MET A 90 -5.675 6.227 -45.799 1.00 20.52 C ATOM 1348 SD MET A 90 -5.372 4.479 -46.121 1.00 33.02 S ATOM 1349 CE MET A 90 -3.699 4.306 -45.507 1.00 71.33 C ATOM 0 H MET A 90 -7.666 7.899 -44.804 1.00 23.21 H new ATOM 0 HA MET A 90 -5.333 8.296 -43.018 1.00 52.35 H new ATOM 0 HB2 MET A 90 -4.315 6.453 -44.163 1.00 2.44 H new ATOM 0 HB3 MET A 90 -5.928 5.955 -43.692 1.00 2.44 H new ATOM 0 HG2 MET A 90 -6.716 6.459 -46.025 1.00 20.52 H new ATOM 0 HG3 MET A 90 -5.061 6.828 -46.470 1.00 20.52 H new ATOM 0 HE1 MET A 90 -3.305 3.331 -45.795 1.00 71.33 H new ATOM 0 HE2 MET A 90 -3.073 5.091 -45.931 1.00 71.33 H new ATOM 0 HE3 MET A 90 -3.700 4.390 -44.420 1.00 71.33 H new ATOM 1359 N THR A 91 -3.736 9.015 -45.064 1.00 54.53 N ATOM 1360 CA THR A 91 -2.985 9.905 -45.952 1.00 60.53 C ATOM 1361 C THR A 91 -2.161 9.110 -46.970 1.00 4.54 C ATOM 1362 O THR A 91 -2.101 7.881 -46.910 1.00 62.15 O ATOM 1363 CB THR A 91 -2.060 10.848 -45.144 1.00 2.34 C ATOM 1364 OG1 THR A 91 -1.289 10.094 -44.198 1.00 75.53 O ATOM 1365 CG2 THR A 91 -2.866 11.919 -44.409 1.00 54.53 C ATOM 0 H THR A 91 -3.153 8.394 -44.503 1.00 54.53 H new ATOM 0 HA THR A 91 -3.712 10.510 -46.494 1.00 60.53 H new ATOM 0 HB THR A 91 -1.391 11.342 -45.848 1.00 2.34 H new ATOM 0 HG1 THR A 91 -0.707 10.700 -43.694 1.00 75.53 H new ATOM 0 HG21 THR A 91 -2.188 12.565 -43.851 1.00 54.53 H new ATOM 0 HG22 THR A 91 -3.423 12.515 -45.132 1.00 54.53 H new ATOM 0 HG23 THR A 91 -3.562 11.441 -43.719 1.00 54.53 H new ATOM 1373 N LEU A 92 -1.527 9.823 -47.899 1.00 74.01 N ATOM 1374 CA LEU A 92 -0.796 9.204 -49.005 1.00 25.41 C ATOM 1375 C LEU A 92 0.516 8.576 -48.518 1.00 32.24 C ATOM 1376 O LEU A 92 1.227 9.159 -47.692 1.00 31.23 O ATOM 1377 CB LEU A 92 -0.547 10.266 -50.096 1.00 14.43 C ATOM 1378 CG LEU A 92 -0.002 9.766 -51.455 1.00 74.12 C ATOM 1379 CD1 LEU A 92 -0.247 10.807 -52.547 1.00 1.01 C ATOM 1380 CD2 LEU A 92 1.489 9.451 -51.376 1.00 24.41 C ATOM 0 H LEU A 92 -1.505 10.843 -47.907 1.00 74.01 H new ATOM 0 HA LEU A 92 -1.392 8.395 -49.427 1.00 25.41 H new ATOM 0 HB2 LEU A 92 -1.486 10.789 -50.280 1.00 14.43 H new ATOM 0 HB3 LEU A 92 0.154 11.000 -49.700 1.00 14.43 H new ATOM 0 HG LEU A 92 -0.536 8.849 -51.703 1.00 74.12 H new ATOM 0 HD11 LEU A 92 0.143 10.438 -53.496 1.00 1.01 H new ATOM 0 HD12 LEU A 92 -1.317 10.990 -52.641 1.00 1.01 H new ATOM 0 HD13 LEU A 92 0.258 11.736 -52.284 1.00 1.01 H new ATOM 0 HD21 LEU A 92 1.839 9.102 -52.348 1.00 24.41 H new ATOM 0 HD22 LEU A 92 2.036 10.350 -51.094 1.00 24.41 H new ATOM 0 HD23 LEU A 92 1.658 8.675 -50.630 1.00 24.41 H new ATOM 1392 N GLY A 93 0.816 7.382 -49.038 1.00 34.21 N ATOM 1393 CA GLY A 93 2.040 6.679 -48.691 1.00 5.55 C ATOM 1394 C GLY A 93 1.957 6.043 -47.322 1.00 72.25 C ATOM 1395 O GLY A 93 2.958 5.948 -46.609 1.00 64.11 O ATOM 0 H GLY A 93 0.221 6.886 -49.702 1.00 34.21 H new ATOM 0 HA2 GLY A 93 2.241 5.910 -49.437 1.00 5.55 H new ATOM 0 HA3 GLY A 93 2.878 7.375 -48.718 1.00 5.55 H new ATOM 1399 N GLU A 94 0.764 5.572 -46.967 1.00 71.34 N ATOM 1400 CA GLU A 94 0.483 5.130 -45.604 1.00 13.03 C ATOM 1401 C GLU A 94 -0.261 3.793 -45.585 1.00 35.11 C ATOM 1402 O GLU A 94 -0.962 3.443 -46.539 1.00 11.33 O ATOM 1403 CB GLU A 94 -0.334 6.219 -44.896 1.00 33.44 C ATOM 1404 CG GLU A 94 -0.631 5.948 -43.426 1.00 42.11 C ATOM 1405 CD GLU A 94 -1.128 7.188 -42.706 1.00 1.35 C ATOM 1406 OE1 GLU A 94 -2.293 7.585 -42.922 1.00 1.51 O ATOM 1407 OE2 GLU A 94 -0.348 7.791 -41.938 1.00 22.02 O ATOM 0 H GLU A 94 -0.026 5.487 -47.607 1.00 71.34 H new ATOM 0 HA GLU A 94 1.425 4.972 -45.080 1.00 13.03 H new ATOM 0 HB2 GLU A 94 0.204 7.164 -44.974 1.00 33.44 H new ATOM 0 HB3 GLU A 94 -1.279 6.345 -45.425 1.00 33.44 H new ATOM 0 HG2 GLU A 94 -1.379 5.159 -43.347 1.00 42.11 H new ATOM 0 HG3 GLU A 94 0.271 5.582 -42.936 1.00 42.11 H new ATOM 1414 N LYS A 95 -0.089 3.056 -44.487 1.00 63.35 N ATOM 1415 CA LYS A 95 -0.773 1.784 -44.263 1.00 74.54 C ATOM 1416 C LYS A 95 -1.392 1.767 -42.867 1.00 2.34 C ATOM 1417 O LYS A 95 -0.687 1.927 -41.863 1.00 24.43 O ATOM 1418 CB LYS A 95 0.207 0.605 -44.408 1.00 62.30 C ATOM 1419 CG LYS A 95 -0.340 -0.719 -43.866 1.00 64.33 C ATOM 1420 CD LYS A 95 0.692 -1.844 -43.926 1.00 65.41 C ATOM 1421 CE LYS A 95 0.929 -2.323 -45.349 1.00 1.24 C ATOM 1422 NZ LYS A 95 -0.304 -2.896 -45.948 1.00 21.52 N ATOM 0 H LYS A 95 0.532 3.327 -43.725 1.00 63.35 H new ATOM 0 HA LYS A 95 -1.558 1.679 -45.012 1.00 74.54 H new ATOM 0 HB2 LYS A 95 0.459 0.480 -45.461 1.00 62.30 H new ATOM 0 HB3 LYS A 95 1.133 0.847 -43.886 1.00 62.30 H new ATOM 0 HG2 LYS A 95 -0.663 -0.580 -42.834 1.00 64.33 H new ATOM 0 HG3 LYS A 95 -1.221 -1.007 -44.440 1.00 64.33 H new ATOM 0 HD2 LYS A 95 1.633 -1.496 -43.499 1.00 65.41 H new ATOM 0 HD3 LYS A 95 0.353 -2.680 -43.314 1.00 65.41 H new ATOM 0 HE2 LYS A 95 1.277 -1.490 -45.960 1.00 1.24 H new ATOM 0 HE3 LYS A 95 1.719 -3.074 -45.353 1.00 1.24 H new ATOM 0 HZ1 LYS A 95 -0.086 -3.818 -46.377 1.00 21.52 H new ATOM 0 HZ2 LYS A 95 -1.024 -3.020 -45.208 1.00 21.52 H new ATOM 0 HZ3 LYS A 95 -0.667 -2.252 -46.679 1.00 21.52 H new ATOM 1436 N ALA A 96 -2.704 1.564 -42.810 1.00 20.50 N ATOM 1437 CA ALA A 96 -3.425 1.510 -41.545 1.00 55.24 C ATOM 1438 C ALA A 96 -4.283 0.251 -41.469 1.00 22.35 C ATOM 1439 O ALA A 96 -4.860 -0.180 -42.469 1.00 52.31 O ATOM 1440 CB ALA A 96 -4.291 2.755 -41.377 1.00 14.21 C ATOM 0 H ALA A 96 -3.293 1.433 -43.633 1.00 20.50 H new ATOM 0 HA ALA A 96 -2.698 1.478 -40.734 1.00 55.24 H new ATOM 0 HB1 ALA A 96 -4.824 2.702 -40.428 1.00 14.21 H new ATOM 0 HB2 ALA A 96 -3.658 3.643 -41.389 1.00 14.21 H new ATOM 0 HB3 ALA A 96 -5.010 2.811 -42.194 1.00 14.21 H new ATOM 1446 N LEU A 97 -4.339 -0.340 -40.287 1.00 62.33 N ATOM 1447 CA LEU A 97 -5.175 -1.505 -40.029 1.00 4.54 C ATOM 1448 C LEU A 97 -6.543 -1.035 -39.538 1.00 23.15 C ATOM 1449 O LEU A 97 -6.649 -0.446 -38.459 1.00 2.53 O ATOM 1450 CB LEU A 97 -4.478 -2.408 -38.991 1.00 62.35 C ATOM 1451 CG LEU A 97 -5.194 -3.725 -38.612 1.00 23.42 C ATOM 1452 CD1 LEU A 97 -4.187 -4.766 -38.117 1.00 52.33 C ATOM 1453 CD2 LEU A 97 -6.262 -3.489 -37.541 1.00 12.41 C ATOM 0 H LEU A 97 -3.806 -0.026 -39.476 1.00 62.33 H new ATOM 0 HA LEU A 97 -5.320 -2.086 -40.940 1.00 4.54 H new ATOM 0 HB2 LEU A 97 -3.487 -2.658 -39.371 1.00 62.35 H new ATOM 0 HB3 LEU A 97 -4.333 -1.827 -38.080 1.00 62.35 H new ATOM 0 HG LEU A 97 -5.683 -4.101 -39.511 1.00 23.42 H new ATOM 0 HD11 LEU A 97 -4.712 -5.685 -37.856 1.00 52.33 H new ATOM 0 HD12 LEU A 97 -3.462 -4.974 -38.904 1.00 52.33 H new ATOM 0 HD13 LEU A 97 -3.669 -4.382 -37.238 1.00 52.33 H new ATOM 0 HD21 LEU A 97 -6.747 -4.434 -37.296 1.00 12.41 H new ATOM 0 HD22 LEU A 97 -5.795 -3.078 -36.646 1.00 12.41 H new ATOM 0 HD23 LEU A 97 -7.005 -2.786 -37.917 1.00 12.41 H new ATOM 1465 N PHE A 98 -7.581 -1.276 -40.335 1.00 33.43 N ATOM 1466 CA PHE A 98 -8.927 -0.826 -39.997 1.00 22.33 C ATOM 1467 C PHE A 98 -9.843 -2.025 -39.749 1.00 65.01 C ATOM 1468 O PHE A 98 -10.013 -2.883 -40.621 1.00 52.24 O ATOM 1469 CB PHE A 98 -9.489 0.065 -41.116 1.00 14.23 C ATOM 1470 CG PHE A 98 -10.792 0.745 -40.764 1.00 54.22 C ATOM 1471 CD1 PHE A 98 -10.837 1.720 -39.774 1.00 54.43 C ATOM 1472 CD2 PHE A 98 -11.967 0.416 -41.422 1.00 1.45 C ATOM 1473 CE1 PHE A 98 -12.026 2.346 -39.451 1.00 53.50 C ATOM 1474 CE2 PHE A 98 -13.158 1.039 -41.101 1.00 61.40 C ATOM 1475 CZ PHE A 98 -13.188 2.005 -40.115 1.00 43.13 C ATOM 0 H PHE A 98 -7.515 -1.780 -41.219 1.00 33.43 H new ATOM 0 HA PHE A 98 -8.879 -0.237 -39.081 1.00 22.33 H new ATOM 0 HB2 PHE A 98 -8.750 0.826 -41.366 1.00 14.23 H new ATOM 0 HB3 PHE A 98 -9.637 -0.541 -42.009 1.00 14.23 H new ATOM 0 HD1 PHE A 98 -9.932 1.991 -39.251 1.00 54.43 H new ATOM 0 HD2 PHE A 98 -11.951 -0.337 -42.196 1.00 1.45 H new ATOM 0 HE1 PHE A 98 -12.046 3.102 -38.680 1.00 53.50 H new ATOM 0 HE2 PHE A 98 -14.065 0.770 -41.621 1.00 61.40 H new ATOM 0 HZ PHE A 98 -14.118 2.493 -39.864 1.00 43.13 H new ATOM 1485 N THR A 99 -10.410 -2.085 -38.549 1.00 0.52 N ATOM 1486 CA THR A 99 -11.318 -3.164 -38.176 1.00 41.40 C ATOM 1487 C THR A 99 -12.706 -2.920 -38.773 1.00 32.20 C ATOM 1488 O THR A 99 -13.369 -1.936 -38.436 1.00 23.33 O ATOM 1489 CB THR A 99 -11.428 -3.289 -36.637 1.00 71.14 C ATOM 1490 OG1 THR A 99 -10.118 -3.404 -36.060 1.00 32.31 O ATOM 1491 CG2 THR A 99 -12.267 -4.501 -36.235 1.00 45.34 C ATOM 0 H THR A 99 -10.256 -1.395 -37.814 1.00 0.52 H new ATOM 0 HA THR A 99 -10.913 -4.095 -38.572 1.00 41.40 H new ATOM 0 HB THR A 99 -11.920 -2.391 -36.264 1.00 71.14 H new ATOM 0 HG1 THR A 99 -10.195 -3.484 -35.086 1.00 32.31 H new ATOM 0 HG21 THR A 99 -12.324 -4.560 -35.148 1.00 45.34 H new ATOM 0 HG22 THR A 99 -13.271 -4.401 -36.646 1.00 45.34 H new ATOM 0 HG23 THR A 99 -11.805 -5.409 -36.623 1.00 45.34 H new ATOM 1499 N ILE A 100 -13.132 -3.813 -39.666 1.00 21.32 N ATOM 1500 CA ILE A 100 -14.429 -3.697 -40.330 1.00 55.40 C ATOM 1501 C ILE A 100 -15.519 -4.412 -39.526 1.00 14.24 C ATOM 1502 O ILE A 100 -15.493 -5.644 -39.383 1.00 1.33 O ATOM 1503 CB ILE A 100 -14.387 -4.293 -41.764 1.00 12.11 C ATOM 1504 CG1 ILE A 100 -13.325 -3.580 -42.618 1.00 60.11 C ATOM 1505 CG2 ILE A 100 -15.761 -4.206 -42.434 1.00 11.45 C ATOM 1506 CD1 ILE A 100 -13.637 -2.128 -42.912 1.00 2.12 C ATOM 0 H ILE A 100 -12.592 -4.631 -39.948 1.00 21.32 H new ATOM 0 HA ILE A 100 -14.661 -2.634 -40.394 1.00 55.40 H new ATOM 0 HB ILE A 100 -14.115 -5.345 -41.683 1.00 12.11 H new ATOM 0 HG12 ILE A 100 -12.365 -3.637 -42.105 1.00 60.11 H new ATOM 0 HG13 ILE A 100 -13.215 -4.115 -43.562 1.00 60.11 H new ATOM 0 HG21 ILE A 100 -15.704 -4.630 -43.437 1.00 11.45 H new ATOM 0 HG22 ILE A 100 -16.489 -4.764 -41.845 1.00 11.45 H new ATOM 0 HG23 ILE A 100 -16.069 -3.162 -42.498 1.00 11.45 H new ATOM 0 HD11 ILE A 100 -12.839 -1.700 -43.518 1.00 2.12 H new ATOM 0 HD12 ILE A 100 -14.580 -2.061 -43.454 1.00 2.12 H new ATOM 0 HD13 ILE A 100 -13.717 -1.576 -41.975 1.00 2.12 H new ATOM 1518 N PRO A 101 -16.480 -3.645 -38.973 1.00 5.44 N ATOM 1519 CA PRO A 101 -17.645 -4.211 -38.295 1.00 42.13 C ATOM 1520 C PRO A 101 -18.665 -4.757 -39.293 1.00 14.34 C ATOM 1521 O PRO A 101 -18.742 -4.293 -40.436 1.00 14.05 O ATOM 1522 CB PRO A 101 -18.222 -3.017 -37.530 1.00 51.24 C ATOM 1523 CG PRO A 101 -17.837 -1.831 -38.346 1.00 0.42 C ATOM 1524 CD PRO A 101 -16.498 -2.165 -38.957 1.00 24.24 C ATOM 0 HA PRO A 101 -17.387 -5.053 -37.653 1.00 42.13 H new ATOM 0 HB2 PRO A 101 -19.305 -3.095 -37.430 1.00 51.24 H new ATOM 0 HB3 PRO A 101 -17.812 -2.956 -36.522 1.00 51.24 H new ATOM 0 HG2 PRO A 101 -18.580 -1.631 -39.118 1.00 0.42 H new ATOM 0 HG3 PRO A 101 -17.771 -0.936 -37.727 1.00 0.42 H new ATOM 0 HD2 PRO A 101 -16.402 -1.752 -39.961 1.00 24.24 H new ATOM 0 HD3 PRO A 101 -15.676 -1.761 -38.366 1.00 24.24 H new ATOM 1532 N TYR A 102 -19.467 -5.712 -38.840 1.00 62.24 N ATOM 1533 CA TYR A 102 -20.432 -6.402 -39.694 1.00 42.32 C ATOM 1534 C TYR A 102 -21.361 -5.425 -40.418 1.00 55.45 C ATOM 1535 O TYR A 102 -21.811 -5.694 -41.529 1.00 63.25 O ATOM 1536 CB TYR A 102 -21.261 -7.380 -38.855 1.00 22.34 C ATOM 1537 CG TYR A 102 -22.169 -6.715 -37.828 1.00 74.23 C ATOM 1538 CD1 TYR A 102 -21.661 -6.210 -36.634 1.00 34.34 C ATOM 1539 CD2 TYR A 102 -23.538 -6.596 -38.055 1.00 52.43 C ATOM 1540 CE1 TYR A 102 -22.489 -5.608 -35.702 1.00 44.51 C ATOM 1541 CE2 TYR A 102 -24.369 -5.997 -37.128 1.00 11.43 C ATOM 1542 CZ TYR A 102 -23.842 -5.504 -35.954 1.00 3.53 C ATOM 1543 OH TYR A 102 -24.671 -4.902 -35.033 1.00 60.43 O ATOM 0 H TYR A 102 -19.469 -6.032 -37.871 1.00 62.24 H new ATOM 0 HA TYR A 102 -19.870 -6.946 -40.453 1.00 42.32 H new ATOM 0 HB2 TYR A 102 -21.872 -7.986 -39.524 1.00 22.34 H new ATOM 0 HB3 TYR A 102 -20.584 -8.060 -38.338 1.00 22.34 H new ATOM 0 HD1 TYR A 102 -20.603 -6.289 -36.432 1.00 34.34 H new ATOM 0 HD2 TYR A 102 -23.958 -6.979 -38.973 1.00 52.43 H new ATOM 0 HE1 TYR A 102 -22.078 -5.221 -34.781 1.00 44.51 H new ATOM 0 HE2 TYR A 102 -25.428 -5.915 -37.323 1.00 11.43 H new ATOM 0 HH TYR A 102 -25.592 -4.911 -35.367 1.00 60.43 H new ATOM 1553 N GLN A 103 -21.633 -4.291 -39.779 1.00 54.01 N ATOM 1554 CA GLN A 103 -22.586 -3.314 -40.308 1.00 73.14 C ATOM 1555 C GLN A 103 -22.044 -2.612 -41.558 1.00 73.11 C ATOM 1556 O GLN A 103 -22.815 -2.178 -42.414 1.00 64.20 O ATOM 1557 CB GLN A 103 -22.933 -2.276 -39.230 1.00 20.21 C ATOM 1558 CG GLN A 103 -21.737 -1.453 -38.760 1.00 52.32 C ATOM 1559 CD GLN A 103 -22.102 -0.441 -37.686 1.00 12.35 C ATOM 1560 OE1 GLN A 103 -23.003 -0.669 -36.881 1.00 44.32 O ATOM 1561 NE2 GLN A 103 -21.409 0.686 -37.666 1.00 41.41 N ATOM 0 H GLN A 103 -21.207 -4.023 -38.892 1.00 54.01 H new ATOM 0 HA GLN A 103 -23.488 -3.854 -40.595 1.00 73.14 H new ATOM 0 HB2 GLN A 103 -23.695 -1.602 -39.620 1.00 20.21 H new ATOM 0 HB3 GLN A 103 -23.369 -2.788 -38.372 1.00 20.21 H new ATOM 0 HG2 GLN A 103 -20.969 -2.124 -38.374 1.00 52.32 H new ATOM 0 HG3 GLN A 103 -21.304 -0.930 -39.613 1.00 52.32 H new ATOM 0 HE21 GLN A 103 -20.668 0.841 -38.350 1.00 41.41 H new ATOM 0 HE22 GLN A 103 -21.616 1.399 -36.967 1.00 41.41 H new ATOM 1570 N LEU A 104 -20.719 -2.523 -41.676 1.00 62.14 N ATOM 1571 CA LEU A 104 -20.095 -1.782 -42.779 1.00 32.30 C ATOM 1572 C LEU A 104 -19.711 -2.715 -43.927 1.00 63.52 C ATOM 1573 O LEU A 104 -18.995 -2.312 -44.843 1.00 31.32 O ATOM 1574 CB LEU A 104 -18.857 -1.015 -42.283 1.00 72.14 C ATOM 1575 CG LEU A 104 -19.141 0.118 -41.282 1.00 20.21 C ATOM 1576 CD1 LEU A 104 -17.852 0.854 -40.915 1.00 1.30 C ATOM 1577 CD2 LEU A 104 -20.178 1.092 -41.844 1.00 71.42 C ATOM 0 H LEU A 104 -20.058 -2.951 -41.027 1.00 62.14 H new ATOM 0 HA LEU A 104 -20.827 -1.066 -43.153 1.00 32.30 H new ATOM 0 HB2 LEU A 104 -18.173 -1.725 -41.818 1.00 72.14 H new ATOM 0 HB3 LEU A 104 -18.341 -0.594 -43.146 1.00 72.14 H new ATOM 0 HG LEU A 104 -19.549 -0.327 -40.374 1.00 20.21 H new ATOM 0 HD11 LEU A 104 -18.077 1.651 -40.206 1.00 1.30 H new ATOM 0 HD12 LEU A 104 -17.149 0.154 -40.463 1.00 1.30 H new ATOM 0 HD13 LEU A 104 -17.409 1.283 -41.814 1.00 1.30 H new ATOM 0 HD21 LEU A 104 -20.363 1.885 -41.119 1.00 71.42 H new ATOM 0 HD22 LEU A 104 -19.804 1.528 -42.770 1.00 71.42 H new ATOM 0 HD23 LEU A 104 -21.107 0.559 -42.044 1.00 71.42 H new ATOM 1589 N ALA A 105 -20.196 -3.951 -43.876 1.00 62.01 N ATOM 1590 CA ALA A 105 -19.917 -4.936 -44.915 1.00 15.02 C ATOM 1591 C ALA A 105 -21.038 -5.975 -44.982 1.00 14.10 C ATOM 1592 O ALA A 105 -22.020 -5.889 -44.245 1.00 75.53 O ATOM 1593 CB ALA A 105 -18.575 -5.617 -44.655 1.00 53.05 C ATOM 0 H ALA A 105 -20.788 -4.296 -43.121 1.00 62.01 H new ATOM 0 HA ALA A 105 -19.865 -4.422 -45.875 1.00 15.02 H new ATOM 0 HB1 ALA A 105 -18.381 -6.349 -45.439 1.00 53.05 H new ATOM 0 HB2 ALA A 105 -17.782 -4.869 -44.652 1.00 53.05 H new ATOM 0 HB3 ALA A 105 -18.603 -6.119 -43.688 1.00 53.05 H new ATOM 1599 N TYR A 106 -20.884 -6.953 -45.868 1.00 54.43 N ATOM 1600 CA TYR A 106 -21.836 -8.060 -45.983 1.00 22.33 C ATOM 1601 C TYR A 106 -21.752 -8.979 -44.759 1.00 52.22 C ATOM 1602 O TYR A 106 -22.573 -9.883 -44.596 1.00 2.43 O ATOM 1603 CB TYR A 106 -21.562 -8.864 -47.264 1.00 62.33 C ATOM 1604 CG TYR A 106 -20.194 -9.528 -47.292 1.00 72.41 C ATOM 1605 CD1 TYR A 106 -19.061 -8.823 -47.686 1.00 61.54 C ATOM 1606 CD2 TYR A 106 -20.039 -10.859 -46.914 1.00 15.41 C ATOM 1607 CE1 TYR A 106 -17.816 -9.423 -47.705 1.00 50.11 C ATOM 1608 CE2 TYR A 106 -18.798 -11.464 -46.931 1.00 43.13 C ATOM 1609 CZ TYR A 106 -17.688 -10.744 -47.326 1.00 60.03 C ATOM 1610 OH TYR A 106 -16.451 -11.345 -47.342 1.00 3.12 O ATOM 0 H TYR A 106 -20.104 -7.004 -46.523 1.00 54.43 H new ATOM 0 HA TYR A 106 -22.842 -7.642 -46.033 1.00 22.33 H new ATOM 0 HB2 TYR A 106 -22.330 -9.630 -47.372 1.00 62.33 H new ATOM 0 HB3 TYR A 106 -21.651 -8.200 -48.124 1.00 62.33 H new ATOM 0 HD1 TYR A 106 -19.156 -7.789 -47.982 1.00 61.54 H new ATOM 0 HD2 TYR A 106 -20.903 -11.427 -46.603 1.00 15.41 H new ATOM 0 HE1 TYR A 106 -16.947 -8.861 -48.015 1.00 50.11 H new ATOM 0 HE2 TYR A 106 -18.696 -12.498 -46.636 1.00 43.13 H new ATOM 0 HH TYR A 106 -16.535 -12.275 -47.046 1.00 3.12 H new ATOM 1620 N GLY A 107 -20.749 -8.736 -43.910 1.00 75.14 N ATOM 1621 CA GLY A 107 -20.542 -9.544 -42.716 1.00 10.44 C ATOM 1622 C GLY A 107 -21.757 -9.574 -41.808 1.00 30.53 C ATOM 1623 O GLY A 107 -21.886 -10.461 -40.966 1.00 60.22 O ATOM 0 H GLY A 107 -20.070 -7.985 -44.032 1.00 75.14 H new ATOM 0 HA2 GLY A 107 -20.290 -10.562 -43.011 1.00 10.44 H new ATOM 0 HA3 GLY A 107 -19.689 -9.152 -42.161 1.00 10.44 H new ATOM 1627 N GLU A 108 -22.637 -8.586 -41.967 1.00 42.23 N ATOM 1628 CA GLU A 108 -23.906 -8.551 -41.247 1.00 2.53 C ATOM 1629 C GLU A 108 -24.708 -9.815 -41.561 1.00 1.12 C ATOM 1630 O GLU A 108 -25.131 -10.540 -40.655 1.00 70.21 O ATOM 1631 CB GLU A 108 -24.688 -7.278 -41.642 1.00 42.32 C ATOM 1632 CG GLU A 108 -25.941 -6.985 -40.807 1.00 4.21 C ATOM 1633 CD GLU A 108 -27.140 -7.855 -41.164 1.00 31.05 C ATOM 1634 OE1 GLU A 108 -27.506 -7.905 -42.356 1.00 42.51 O ATOM 1635 OE2 GLU A 108 -27.737 -8.466 -40.253 1.00 64.21 O ATOM 0 H GLU A 108 -22.491 -7.794 -42.593 1.00 42.23 H new ATOM 0 HA GLU A 108 -23.725 -8.521 -40.173 1.00 2.53 H new ATOM 0 HB2 GLU A 108 -24.016 -6.423 -41.569 1.00 42.32 H new ATOM 0 HB3 GLU A 108 -24.982 -7.364 -42.688 1.00 42.32 H new ATOM 0 HG2 GLU A 108 -25.704 -7.126 -39.753 1.00 4.21 H new ATOM 0 HG3 GLU A 108 -26.214 -5.938 -40.935 1.00 4.21 H new ATOM 1642 N ARG A 109 -24.867 -10.085 -42.855 1.00 41.24 N ATOM 1643 CA ARG A 109 -25.641 -11.231 -43.326 1.00 2.14 C ATOM 1644 C ARG A 109 -24.783 -12.493 -43.344 1.00 64.15 C ATOM 1645 O ARG A 109 -25.150 -13.513 -42.760 1.00 50.12 O ATOM 1646 CB ARG A 109 -26.187 -10.958 -44.733 1.00 42.44 C ATOM 1647 CG ARG A 109 -27.076 -12.076 -45.272 1.00 24.32 C ATOM 1648 CD ARG A 109 -27.557 -11.792 -46.689 1.00 60.10 C ATOM 1649 NE ARG A 109 -28.512 -12.798 -47.152 1.00 12.51 N ATOM 1650 CZ ARG A 109 -28.899 -12.945 -48.420 1.00 71.52 C ATOM 1651 NH1 ARG A 109 -28.336 -12.227 -49.389 1.00 63.01 N ATOM 1652 NH2 ARG A 109 -29.840 -13.830 -48.721 1.00 72.20 N ATOM 0 H ARG A 109 -24.465 -9.519 -43.603 1.00 41.24 H new ATOM 0 HA ARG A 109 -26.474 -11.384 -42.640 1.00 2.14 H new ATOM 0 HB2 ARG A 109 -26.756 -10.028 -44.719 1.00 42.44 H new ATOM 0 HB3 ARG A 109 -25.350 -10.810 -45.416 1.00 42.44 H new ATOM 0 HG2 ARG A 109 -26.524 -13.016 -45.258 1.00 24.32 H new ATOM 0 HG3 ARG A 109 -27.937 -12.202 -44.616 1.00 24.32 H new ATOM 0 HD2 ARG A 109 -28.022 -10.807 -46.724 1.00 60.10 H new ATOM 0 HD3 ARG A 109 -26.702 -11.765 -47.364 1.00 60.10 H new ATOM 0 HE ARG A 109 -28.909 -13.431 -46.458 1.00 12.51 H new ATOM 0 HH11 ARG A 109 -27.601 -11.556 -49.165 1.00 63.01 H new ATOM 0 HH12 ARG A 109 -28.640 -12.348 -50.355 1.00 63.01 H new ATOM 0 HH21 ARG A 109 -30.264 -14.394 -47.984 1.00 72.20 H new ATOM 0 HH22 ARG A 109 -30.140 -13.946 -49.689 1.00 72.20 H new ATOM 1666 N GLY A 110 -23.638 -12.413 -44.018 1.00 51.44 N ATOM 1667 CA GLY A 110 -22.757 -13.562 -44.149 1.00 74.31 C ATOM 1668 C GLY A 110 -23.094 -14.407 -45.367 1.00 44.44 C ATOM 1669 O GLY A 110 -24.262 -14.514 -45.751 1.00 52.23 O ATOM 0 H GLY A 110 -23.303 -11.567 -44.479 1.00 51.44 H new ATOM 0 HA2 GLY A 110 -21.725 -13.220 -44.220 1.00 74.31 H new ATOM 0 HA3 GLY A 110 -22.828 -14.176 -43.252 1.00 74.31 H new ATOM 1673 N TYR A 111 -22.073 -14.997 -45.985 1.00 14.34 N ATOM 1674 CA TYR A 111 -22.256 -15.852 -47.164 1.00 51.25 C ATOM 1675 C TYR A 111 -21.349 -17.090 -47.088 1.00 15.01 C ATOM 1676 O TYR A 111 -21.847 -18.214 -47.166 1.00 51.22 O ATOM 1677 CB TYR A 111 -22.016 -15.077 -48.476 1.00 51.01 C ATOM 1678 CG TYR A 111 -23.055 -14.005 -48.760 1.00 1.55 C ATOM 1679 CD1 TYR A 111 -24.291 -14.339 -49.305 1.00 14.33 C ATOM 1680 CD2 TYR A 111 -22.803 -12.664 -48.481 1.00 62.24 C ATOM 1681 CE1 TYR A 111 -25.243 -13.370 -49.562 1.00 51.32 C ATOM 1682 CE2 TYR A 111 -23.753 -11.692 -48.737 1.00 42.35 C ATOM 1683 CZ TYR A 111 -24.970 -12.050 -49.276 1.00 75.40 C ATOM 1684 OH TYR A 111 -25.918 -11.085 -49.530 1.00 34.13 O ATOM 0 H TYR A 111 -21.102 -14.900 -45.689 1.00 14.34 H new ATOM 0 HA TYR A 111 -23.294 -16.185 -47.167 1.00 51.25 H new ATOM 0 HB2 TYR A 111 -21.031 -14.612 -48.436 1.00 51.01 H new ATOM 0 HB3 TYR A 111 -22.002 -15.784 -49.306 1.00 51.01 H new ATOM 0 HD1 TYR A 111 -24.510 -15.372 -49.531 1.00 14.33 H new ATOM 0 HD2 TYR A 111 -21.851 -12.379 -48.058 1.00 62.24 H new ATOM 0 HE1 TYR A 111 -26.197 -13.647 -49.985 1.00 51.32 H new ATOM 0 HE2 TYR A 111 -23.542 -10.656 -48.515 1.00 42.35 H new ATOM 0 HH TYR A 111 -25.569 -10.207 -49.271 1.00 34.13 H new ATOM 1694 N PRO A 112 -20.010 -16.923 -46.928 1.00 71.14 N ATOM 1695 CA PRO A 112 -19.100 -18.062 -46.762 1.00 74.05 C ATOM 1696 C PRO A 112 -19.312 -18.728 -45.399 1.00 44.53 C ATOM 1697 O PRO A 112 -19.300 -18.046 -44.380 1.00 35.22 O ATOM 1698 CB PRO A 112 -17.688 -17.439 -46.856 1.00 3.14 C ATOM 1699 CG PRO A 112 -17.900 -16.049 -47.360 1.00 55.31 C ATOM 1700 CD PRO A 112 -19.270 -15.648 -46.893 1.00 34.32 C ATOM 0 HA PRO A 112 -19.261 -18.839 -47.509 1.00 74.05 H new ATOM 0 HB2 PRO A 112 -17.196 -17.433 -45.884 1.00 3.14 H new ATOM 0 HB3 PRO A 112 -17.051 -18.009 -47.532 1.00 3.14 H new ATOM 0 HG2 PRO A 112 -17.140 -15.372 -46.970 1.00 55.31 H new ATOM 0 HG3 PRO A 112 -17.831 -16.013 -48.447 1.00 55.31 H new ATOM 0 HD2 PRO A 112 -19.247 -15.220 -45.891 1.00 34.32 H new ATOM 0 HD3 PRO A 112 -19.719 -14.901 -47.548 1.00 34.32 H new ATOM 1708 N PRO A 113 -19.512 -20.059 -45.364 1.00 75.52 N ATOM 1709 CA PRO A 113 -19.800 -20.792 -44.116 1.00 14.13 C ATOM 1710 C PRO A 113 -18.793 -20.503 -42.995 1.00 51.33 C ATOM 1711 O PRO A 113 -19.122 -20.604 -41.813 1.00 50.55 O ATOM 1712 CB PRO A 113 -19.730 -22.261 -44.549 1.00 71.32 C ATOM 1713 CG PRO A 113 -20.076 -22.236 -45.999 1.00 43.15 C ATOM 1714 CD PRO A 113 -19.489 -20.959 -46.535 1.00 14.23 C ATOM 0 HA PRO A 113 -20.760 -20.500 -43.691 1.00 14.13 H new ATOM 0 HB2 PRO A 113 -18.736 -22.677 -44.385 1.00 71.32 H new ATOM 0 HB3 PRO A 113 -20.430 -22.876 -43.984 1.00 71.32 H new ATOM 0 HG2 PRO A 113 -19.664 -23.103 -46.515 1.00 43.15 H new ATOM 0 HG3 PRO A 113 -21.156 -22.262 -46.144 1.00 43.15 H new ATOM 0 HD2 PRO A 113 -18.476 -21.107 -46.909 1.00 14.23 H new ATOM 0 HD3 PRO A 113 -20.078 -20.560 -47.361 1.00 14.23 H new ATOM 1722 N VAL A 114 -17.566 -20.155 -43.371 1.00 63.42 N ATOM 1723 CA VAL A 114 -16.531 -19.808 -42.398 1.00 23.21 C ATOM 1724 C VAL A 114 -16.799 -18.425 -41.798 1.00 74.31 C ATOM 1725 O VAL A 114 -16.553 -18.190 -40.613 1.00 2.15 O ATOM 1726 CB VAL A 114 -15.117 -19.845 -43.039 1.00 34.22 C ATOM 1727 CG1 VAL A 114 -14.044 -19.414 -42.038 1.00 33.32 C ATOM 1728 CG2 VAL A 114 -14.816 -21.240 -43.592 1.00 53.14 C ATOM 0 H VAL A 114 -17.262 -20.105 -44.343 1.00 63.42 H new ATOM 0 HA VAL A 114 -16.563 -20.552 -41.602 1.00 23.21 H new ATOM 0 HB VAL A 114 -15.103 -19.135 -43.866 1.00 34.22 H new ATOM 0 HG11 VAL A 114 -13.065 -19.450 -42.516 1.00 33.32 H new ATOM 0 HG12 VAL A 114 -14.247 -18.397 -41.703 1.00 33.32 H new ATOM 0 HG13 VAL A 114 -14.054 -20.087 -41.181 1.00 33.32 H new ATOM 0 HG21 VAL A 114 -13.821 -21.248 -44.038 1.00 53.14 H new ATOM 0 HG22 VAL A 114 -14.857 -21.969 -42.783 1.00 53.14 H new ATOM 0 HG23 VAL A 114 -15.555 -21.498 -44.350 1.00 53.14 H new ATOM 1738 N ILE A 115 -17.320 -17.522 -42.624 1.00 51.04 N ATOM 1739 CA ILE A 115 -17.669 -16.176 -42.190 1.00 15.41 C ATOM 1740 C ILE A 115 -19.138 -16.142 -41.756 1.00 5.40 C ATOM 1741 O ILE A 115 -20.042 -16.196 -42.595 1.00 35.31 O ATOM 1742 CB ILE A 115 -17.431 -15.141 -43.319 1.00 64.33 C ATOM 1743 CG1 ILE A 115 -15.955 -15.153 -43.763 1.00 53.33 C ATOM 1744 CG2 ILE A 115 -17.846 -13.737 -42.875 1.00 50.30 C ATOM 1745 CD1 ILE A 115 -14.974 -14.799 -42.658 1.00 54.20 C ATOM 0 H ILE A 115 -17.511 -17.703 -43.609 1.00 51.04 H new ATOM 0 HA ILE A 115 -17.029 -15.911 -41.349 1.00 15.41 H new ATOM 0 HB ILE A 115 -18.051 -15.423 -44.170 1.00 64.33 H new ATOM 0 HG12 ILE A 115 -15.710 -16.143 -44.149 1.00 53.33 H new ATOM 0 HG13 ILE A 115 -15.828 -14.450 -44.586 1.00 53.33 H new ATOM 0 HG21 ILE A 115 -17.668 -13.031 -43.686 1.00 50.30 H new ATOM 0 HG22 ILE A 115 -18.905 -13.735 -42.618 1.00 50.30 H new ATOM 0 HG23 ILE A 115 -17.261 -13.443 -42.004 1.00 50.30 H new ATOM 0 HD11 ILE A 115 -13.958 -14.830 -43.050 1.00 54.20 H new ATOM 0 HD12 ILE A 115 -15.190 -13.797 -42.287 1.00 54.20 H new ATOM 0 HD13 ILE A 115 -15.070 -15.516 -41.843 1.00 54.20 H new ATOM 1757 N PRO A 116 -19.397 -16.070 -40.440 1.00 1.54 N ATOM 1758 CA PRO A 116 -20.757 -16.121 -39.905 1.00 4.42 C ATOM 1759 C PRO A 116 -21.479 -14.777 -40.021 1.00 1.54 C ATOM 1760 O PRO A 116 -20.851 -13.744 -40.262 1.00 44.24 O ATOM 1761 CB PRO A 116 -20.521 -16.487 -38.434 1.00 0.11 C ATOM 1762 CG PRO A 116 -19.217 -15.845 -38.104 1.00 2.34 C ATOM 1763 CD PRO A 116 -18.389 -15.919 -39.368 1.00 73.41 C ATOM 0 HA PRO A 116 -21.394 -16.823 -40.443 1.00 4.42 H new ATOM 0 HB2 PRO A 116 -21.322 -16.113 -37.797 1.00 0.11 H new ATOM 0 HB3 PRO A 116 -20.480 -17.567 -38.294 1.00 0.11 H new ATOM 0 HG2 PRO A 116 -19.359 -14.811 -37.790 1.00 2.34 H new ATOM 0 HG3 PRO A 116 -18.723 -16.363 -37.282 1.00 2.34 H new ATOM 0 HD2 PRO A 116 -17.789 -15.020 -39.507 1.00 73.41 H new ATOM 0 HD3 PRO A 116 -17.699 -16.762 -39.346 1.00 73.41 H new ATOM 1771 N PRO A 117 -22.815 -14.777 -39.888 1.00 32.11 N ATOM 1772 CA PRO A 117 -23.590 -13.537 -39.785 1.00 23.42 C ATOM 1773 C PRO A 117 -23.110 -12.681 -38.610 1.00 61.41 C ATOM 1774 O PRO A 117 -22.735 -13.219 -37.565 1.00 22.34 O ATOM 1775 CB PRO A 117 -25.026 -14.033 -39.548 1.00 44.33 C ATOM 1776 CG PRO A 117 -25.049 -15.416 -40.104 1.00 52.33 C ATOM 1777 CD PRO A 117 -23.675 -15.975 -39.859 1.00 32.41 C ATOM 0 HA PRO A 117 -23.495 -12.905 -40.668 1.00 23.42 H new ATOM 0 HB2 PRO A 117 -25.276 -14.029 -38.487 1.00 44.33 H new ATOM 0 HB3 PRO A 117 -25.753 -13.393 -40.049 1.00 44.33 H new ATOM 0 HG2 PRO A 117 -25.811 -16.022 -39.615 1.00 52.33 H new ATOM 0 HG3 PRO A 117 -25.284 -15.406 -41.168 1.00 52.33 H new ATOM 0 HD2 PRO A 117 -23.615 -16.491 -38.901 1.00 32.41 H new ATOM 0 HD3 PRO A 117 -23.390 -16.694 -40.627 1.00 32.41 H new ATOM 1785 N LYS A 118 -23.126 -11.358 -38.787 1.00 12.23 N ATOM 1786 CA LYS A 118 -22.669 -10.421 -37.750 1.00 22.13 C ATOM 1787 C LYS A 118 -21.162 -10.566 -37.493 1.00 41.51 C ATOM 1788 O LYS A 118 -20.675 -10.257 -36.402 1.00 20.11 O ATOM 1789 CB LYS A 118 -23.463 -10.632 -36.448 1.00 64.12 C ATOM 1790 CG LYS A 118 -24.950 -10.295 -36.565 1.00 0.22 C ATOM 1791 CD LYS A 118 -25.732 -10.743 -35.331 1.00 12.22 C ATOM 1792 CE LYS A 118 -25.826 -12.263 -35.242 1.00 54.44 C ATOM 1793 NZ LYS A 118 -26.513 -12.710 -34.002 1.00 73.32 N ATOM 0 H LYS A 118 -23.452 -10.907 -39.642 1.00 12.23 H new ATOM 0 HA LYS A 118 -22.850 -9.408 -38.109 1.00 22.13 H new ATOM 0 HB2 LYS A 118 -23.360 -11.671 -36.136 1.00 64.12 H new ATOM 0 HB3 LYS A 118 -23.023 -10.018 -35.662 1.00 64.12 H new ATOM 0 HG2 LYS A 118 -25.070 -9.220 -36.701 1.00 0.22 H new ATOM 0 HG3 LYS A 118 -25.363 -10.776 -37.452 1.00 0.22 H new ATOM 0 HD2 LYS A 118 -25.249 -10.355 -34.434 1.00 12.22 H new ATOM 0 HD3 LYS A 118 -26.735 -10.318 -35.362 1.00 12.22 H new ATOM 0 HE2 LYS A 118 -26.363 -12.644 -36.111 1.00 54.44 H new ATOM 0 HE3 LYS A 118 -24.824 -12.690 -35.274 1.00 54.44 H new ATOM 0 HZ1 LYS A 118 -26.554 -13.749 -33.983 1.00 73.32 H new ATOM 0 HZ2 LYS A 118 -25.987 -12.369 -33.172 1.00 73.32 H new ATOM 0 HZ3 LYS A 118 -27.479 -12.325 -33.982 1.00 73.32 H new ATOM 1807 N ALA A 119 -20.427 -10.993 -38.520 1.00 25.12 N ATOM 1808 CA ALA A 119 -18.989 -11.237 -38.401 1.00 55.24 C ATOM 1809 C ALA A 119 -18.185 -9.938 -38.395 1.00 12.24 C ATOM 1810 O ALA A 119 -18.573 -8.945 -39.012 1.00 74.12 O ATOM 1811 CB ALA A 119 -18.507 -12.131 -39.537 1.00 71.50 C ATOM 0 H ALA A 119 -20.806 -11.178 -39.449 1.00 25.12 H new ATOM 0 HA ALA A 119 -18.826 -11.736 -37.446 1.00 55.24 H new ATOM 0 HB1 ALA A 119 -17.436 -12.303 -39.435 1.00 71.50 H new ATOM 0 HB2 ALA A 119 -19.033 -13.085 -39.498 1.00 71.50 H new ATOM 0 HB3 ALA A 119 -18.707 -11.645 -40.492 1.00 71.50 H new ATOM 1817 N THR A 120 -17.061 -9.966 -37.688 1.00 51.12 N ATOM 1818 CA THR A 120 -16.105 -8.862 -37.680 1.00 71.23 C ATOM 1819 C THR A 120 -14.844 -9.276 -38.445 1.00 20.24 C ATOM 1820 O THR A 120 -14.298 -10.356 -38.199 1.00 3.02 O ATOM 1821 CB THR A 120 -15.729 -8.471 -36.229 1.00 65.31 C ATOM 1822 OG1 THR A 120 -16.916 -8.191 -35.470 1.00 65.31 O ATOM 1823 CG2 THR A 120 -14.810 -7.252 -36.202 1.00 44.33 C ATOM 0 H THR A 120 -16.785 -10.755 -37.103 1.00 51.12 H new ATOM 0 HA THR A 120 -16.564 -7.999 -38.162 1.00 71.23 H new ATOM 0 HB THR A 120 -15.198 -9.313 -35.785 1.00 65.31 H new ATOM 0 HG1 THR A 120 -16.762 -8.415 -34.528 1.00 65.31 H new ATOM 0 HG21 THR A 120 -14.565 -7.004 -35.169 1.00 44.33 H new ATOM 0 HG22 THR A 120 -13.894 -7.475 -36.749 1.00 44.33 H new ATOM 0 HG23 THR A 120 -15.314 -6.406 -36.669 1.00 44.33 H new ATOM 1831 N LEU A 121 -14.382 -8.425 -39.361 1.00 2.41 N ATOM 1832 CA LEU A 121 -13.245 -8.764 -40.226 1.00 73.03 C ATOM 1833 C LEU A 121 -12.329 -7.543 -40.356 1.00 70.13 C ATOM 1834 O LEU A 121 -12.802 -6.413 -40.314 1.00 70.31 O ATOM 1835 CB LEU A 121 -13.777 -9.236 -41.601 1.00 5.25 C ATOM 1836 CG LEU A 121 -12.876 -10.203 -42.406 1.00 44.23 C ATOM 1837 CD1 LEU A 121 -11.660 -9.488 -42.992 1.00 63.11 C ATOM 1838 CD2 LEU A 121 -12.443 -11.389 -41.541 1.00 11.54 C ATOM 0 H LEU A 121 -14.774 -7.498 -39.525 1.00 2.41 H new ATOM 0 HA LEU A 121 -12.661 -9.577 -39.794 1.00 73.03 H new ATOM 0 HB2 LEU A 121 -14.740 -9.722 -41.444 1.00 5.25 H new ATOM 0 HB3 LEU A 121 -13.961 -8.354 -42.214 1.00 5.25 H new ATOM 0 HG LEU A 121 -13.467 -10.581 -43.240 1.00 44.23 H new ATOM 0 HD11 LEU A 121 -11.053 -10.201 -43.550 1.00 63.11 H new ATOM 0 HD12 LEU A 121 -11.992 -8.693 -43.660 1.00 63.11 H new ATOM 0 HD13 LEU A 121 -11.066 -9.059 -42.185 1.00 63.11 H new ATOM 0 HD21 LEU A 121 -11.811 -12.055 -42.128 1.00 11.54 H new ATOM 0 HD22 LEU A 121 -11.885 -11.025 -40.678 1.00 11.54 H new ATOM 0 HD23 LEU A 121 -13.325 -11.932 -41.200 1.00 11.54 H new ATOM 1850 N VAL A 122 -11.023 -7.761 -40.488 1.00 31.41 N ATOM 1851 CA VAL A 122 -10.066 -6.658 -40.543 1.00 43.23 C ATOM 1852 C VAL A 122 -9.561 -6.442 -41.970 1.00 70.11 C ATOM 1853 O VAL A 122 -9.394 -7.393 -42.732 1.00 44.44 O ATOM 1854 CB VAL A 122 -8.861 -6.919 -39.603 1.00 61.11 C ATOM 1855 CG1 VAL A 122 -7.848 -5.782 -39.687 1.00 50.24 C ATOM 1856 CG2 VAL A 122 -9.331 -7.125 -38.161 1.00 74.23 C ATOM 0 H VAL A 122 -10.604 -8.688 -40.559 1.00 31.41 H new ATOM 0 HA VAL A 122 -10.586 -5.760 -40.211 1.00 43.23 H new ATOM 0 HB VAL A 122 -8.368 -7.834 -39.932 1.00 61.11 H new ATOM 0 HG11 VAL A 122 -7.012 -5.989 -39.018 1.00 50.24 H new ATOM 0 HG12 VAL A 122 -7.482 -5.696 -40.710 1.00 50.24 H new ATOM 0 HG13 VAL A 122 -8.325 -4.847 -39.393 1.00 50.24 H new ATOM 0 HG21 VAL A 122 -8.469 -7.306 -37.520 1.00 74.23 H new ATOM 0 HG22 VAL A 122 -9.857 -6.234 -37.819 1.00 74.23 H new ATOM 0 HG23 VAL A 122 -10.003 -7.982 -38.116 1.00 74.23 H new ATOM 1866 N PHE A 123 -9.335 -5.187 -42.334 1.00 33.02 N ATOM 1867 CA PHE A 123 -8.777 -4.847 -43.637 1.00 14.15 C ATOM 1868 C PHE A 123 -7.647 -3.836 -43.492 1.00 24.01 C ATOM 1869 O PHE A 123 -7.811 -2.784 -42.868 1.00 14.25 O ATOM 1870 CB PHE A 123 -9.868 -4.292 -44.569 1.00 30.11 C ATOM 1871 CG PHE A 123 -10.663 -5.358 -45.288 1.00 10.14 C ATOM 1872 CD1 PHE A 123 -11.777 -5.944 -44.701 1.00 51.11 C ATOM 1873 CD2 PHE A 123 -10.291 -5.770 -46.561 1.00 52.10 C ATOM 1874 CE1 PHE A 123 -12.499 -6.917 -45.368 1.00 23.22 C ATOM 1875 CE2 PHE A 123 -11.009 -6.743 -47.229 1.00 34.12 C ATOM 1876 CZ PHE A 123 -12.115 -7.316 -46.632 1.00 24.21 C ATOM 0 H PHE A 123 -9.531 -4.381 -41.740 1.00 33.02 H new ATOM 0 HA PHE A 123 -8.374 -5.758 -44.078 1.00 14.15 H new ATOM 0 HB2 PHE A 123 -10.551 -3.676 -43.985 1.00 30.11 H new ATOM 0 HB3 PHE A 123 -9.403 -3.640 -45.308 1.00 30.11 H new ATOM 0 HD1 PHE A 123 -12.083 -5.636 -43.712 1.00 51.11 H new ATOM 0 HD2 PHE A 123 -9.429 -5.324 -47.035 1.00 52.10 H new ATOM 0 HE1 PHE A 123 -13.363 -7.364 -44.900 1.00 23.22 H new ATOM 0 HE2 PHE A 123 -10.706 -7.055 -48.217 1.00 34.12 H new ATOM 0 HZ PHE A 123 -12.679 -8.075 -47.154 1.00 24.21 H new ATOM 1886 N GLU A 124 -6.491 -4.180 -44.042 1.00 64.31 N ATOM 1887 CA GLU A 124 -5.393 -3.238 -44.163 1.00 51.31 C ATOM 1888 C GLU A 124 -5.680 -2.278 -45.309 1.00 24.30 C ATOM 1889 O GLU A 124 -5.762 -2.697 -46.471 1.00 64.22 O ATOM 1890 CB GLU A 124 -4.063 -3.960 -44.420 1.00 15.04 C ATOM 1891 CG GLU A 124 -3.545 -4.776 -43.239 1.00 23.21 C ATOM 1892 CD GLU A 124 -2.200 -5.433 -43.524 1.00 12.02 C ATOM 1893 OE1 GLU A 124 -1.359 -4.810 -44.222 1.00 21.31 O ATOM 1894 OE2 GLU A 124 -1.979 -6.575 -43.063 1.00 32.21 O ATOM 0 H GLU A 124 -6.291 -5.109 -44.412 1.00 64.31 H new ATOM 0 HA GLU A 124 -5.305 -2.690 -43.225 1.00 51.31 H new ATOM 0 HB2 GLU A 124 -4.184 -4.622 -45.277 1.00 15.04 H new ATOM 0 HB3 GLU A 124 -3.310 -3.221 -44.692 1.00 15.04 H new ATOM 0 HG2 GLU A 124 -3.451 -4.128 -42.368 1.00 23.21 H new ATOM 0 HG3 GLU A 124 -4.274 -5.545 -42.986 1.00 23.21 H new ATOM 1901 N VAL A 125 -5.855 -1.006 -44.974 1.00 22.33 N ATOM 1902 CA VAL A 125 -6.039 0.039 -45.970 1.00 0.42 C ATOM 1903 C VAL A 125 -4.692 0.699 -46.243 1.00 41.00 C ATOM 1904 O VAL A 125 -3.934 0.996 -45.313 1.00 20.15 O ATOM 1905 CB VAL A 125 -7.084 1.099 -45.519 1.00 20.05 C ATOM 1906 CG1 VAL A 125 -8.464 0.459 -45.349 1.00 34.15 C ATOM 1907 CG2 VAL A 125 -6.651 1.792 -44.226 1.00 11.44 C ATOM 0 H VAL A 125 -5.873 -0.672 -44.010 1.00 22.33 H new ATOM 0 HA VAL A 125 -6.427 -0.415 -46.882 1.00 0.42 H new ATOM 0 HB VAL A 125 -7.147 1.857 -46.300 1.00 20.05 H new ATOM 0 HG11 VAL A 125 -9.180 1.217 -45.033 1.00 34.15 H new ATOM 0 HG12 VAL A 125 -8.785 0.029 -46.298 1.00 34.15 H new ATOM 0 HG13 VAL A 125 -8.411 -0.326 -44.595 1.00 34.15 H new ATOM 0 HG21 VAL A 125 -7.403 2.527 -43.938 1.00 11.44 H new ATOM 0 HG22 VAL A 125 -6.545 1.051 -43.434 1.00 11.44 H new ATOM 0 HG23 VAL A 125 -5.696 2.293 -44.384 1.00 11.44 H new ATOM 1917 N GLU A 126 -4.374 0.884 -47.516 1.00 43.13 N ATOM 1918 CA GLU A 126 -3.057 1.357 -47.912 1.00 63.02 C ATOM 1919 C GLU A 126 -3.179 2.377 -49.041 1.00 75.21 C ATOM 1920 O GLU A 126 -3.655 2.055 -50.124 1.00 73.13 O ATOM 1921 CB GLU A 126 -2.219 0.150 -48.354 1.00 51.44 C ATOM 1922 CG GLU A 126 -0.735 0.434 -48.569 1.00 43.20 C ATOM 1923 CD GLU A 126 0.033 -0.817 -48.972 1.00 3.30 C ATOM 1924 OE1 GLU A 126 -0.206 -1.888 -48.364 1.00 32.43 O ATOM 1925 OE2 GLU A 126 0.854 -0.745 -49.907 1.00 33.31 O ATOM 0 H GLU A 126 -5.012 0.713 -48.293 1.00 43.13 H new ATOM 0 HA GLU A 126 -2.568 1.850 -47.072 1.00 63.02 H new ATOM 0 HB2 GLU A 126 -2.318 -0.635 -47.604 1.00 51.44 H new ATOM 0 HB3 GLU A 126 -2.636 -0.242 -49.282 1.00 51.44 H new ATOM 0 HG2 GLU A 126 -0.620 1.195 -49.341 1.00 43.20 H new ATOM 0 HG3 GLU A 126 -0.308 0.842 -47.653 1.00 43.20 H new ATOM 1932 N LEU A 127 -2.765 3.606 -48.778 1.00 44.31 N ATOM 1933 CA LEU A 127 -2.820 4.664 -49.783 1.00 71.21 C ATOM 1934 C LEU A 127 -1.454 4.763 -50.460 1.00 21.13 C ATOM 1935 O LEU A 127 -0.478 5.169 -49.827 1.00 72.31 O ATOM 1936 CB LEU A 127 -3.197 6.006 -49.120 1.00 2.35 C ATOM 1937 CG LEU A 127 -3.849 7.080 -50.029 1.00 62.44 C ATOM 1938 CD1 LEU A 127 -2.994 7.394 -51.253 1.00 31.13 C ATOM 1939 CD2 LEU A 127 -5.253 6.659 -50.446 1.00 41.12 C ATOM 0 H LEU A 127 -2.386 3.899 -47.877 1.00 44.31 H new ATOM 0 HA LEU A 127 -3.580 4.432 -50.529 1.00 71.21 H new ATOM 0 HB2 LEU A 127 -3.881 5.797 -48.297 1.00 2.35 H new ATOM 0 HB3 LEU A 127 -2.295 6.434 -48.683 1.00 2.35 H new ATOM 0 HG LEU A 127 -3.920 7.995 -49.442 1.00 62.44 H new ATOM 0 HD11 LEU A 127 -3.491 8.151 -51.860 1.00 31.13 H new ATOM 0 HD12 LEU A 127 -2.022 7.767 -50.932 1.00 31.13 H new ATOM 0 HD13 LEU A 127 -2.858 6.488 -51.844 1.00 31.13 H new ATOM 0 HD21 LEU A 127 -5.689 7.428 -51.083 1.00 41.12 H new ATOM 0 HD22 LEU A 127 -5.203 5.719 -50.995 1.00 41.12 H new ATOM 0 HD23 LEU A 127 -5.872 6.528 -49.559 1.00 41.12 H new ATOM 1951 N LEU A 128 -1.381 4.394 -51.737 1.00 14.43 N ATOM 1952 CA LEU A 128 -0.110 4.409 -52.462 1.00 30.41 C ATOM 1953 C LEU A 128 0.155 5.797 -53.021 1.00 2.23 C ATOM 1954 O LEU A 128 1.224 6.372 -52.808 1.00 15.42 O ATOM 1955 CB LEU A 128 -0.100 3.368 -53.595 1.00 73.21 C ATOM 1956 CG LEU A 128 0.073 1.905 -53.152 1.00 25.15 C ATOM 1957 CD1 LEU A 128 1.374 1.726 -52.375 1.00 61.42 C ATOM 1958 CD2 LEU A 128 -1.117 1.437 -52.321 1.00 51.52 C ATOM 0 H LEU A 128 -2.180 4.083 -52.289 1.00 14.43 H new ATOM 0 HA LEU A 128 0.682 4.148 -51.761 1.00 30.41 H new ATOM 0 HB2 LEU A 128 -1.034 3.453 -54.150 1.00 73.21 H new ATOM 0 HB3 LEU A 128 0.705 3.617 -54.286 1.00 73.21 H new ATOM 0 HG LEU A 128 0.120 1.288 -54.049 1.00 25.15 H new ATOM 0 HD11 LEU A 128 1.476 0.684 -52.071 1.00 61.42 H new ATOM 0 HD12 LEU A 128 2.217 2.004 -53.008 1.00 61.42 H new ATOM 0 HD13 LEU A 128 1.360 2.362 -51.490 1.00 61.42 H new ATOM 0 HD21 LEU A 128 -0.967 0.400 -52.022 1.00 51.52 H new ATOM 0 HD22 LEU A 128 -1.208 2.061 -51.432 1.00 51.52 H new ATOM 0 HD23 LEU A 128 -2.028 1.515 -52.914 1.00 51.52 H new ATOM 1970 N ALA A 129 -0.841 6.330 -53.715 1.00 4.43 N ATOM 1971 CA ALA A 129 -0.741 7.641 -54.340 1.00 1.24 C ATOM 1972 C ALA A 129 -2.119 8.111 -54.781 1.00 55.22 C ATOM 1973 O ALA A 129 -3.107 7.402 -54.597 1.00 1.51 O ATOM 1974 CB ALA A 129 0.219 7.600 -55.526 1.00 14.11 C ATOM 0 H ALA A 129 -1.738 5.867 -53.860 1.00 4.43 H new ATOM 0 HA ALA A 129 -0.346 8.348 -53.611 1.00 1.24 H new ATOM 0 HB1 ALA A 129 0.280 8.589 -55.979 1.00 14.11 H new ATOM 0 HB2 ALA A 129 1.208 7.297 -55.183 1.00 14.11 H new ATOM 0 HB3 ALA A 129 -0.144 6.885 -56.264 1.00 14.11 H new ATOM 1980 N VAL A 130 -2.186 9.307 -55.348 1.00 71.35 N ATOM 1981 CA VAL A 130 -3.432 9.833 -55.893 1.00 3.33 C ATOM 1982 C VAL A 130 -3.291 9.964 -57.412 1.00 10.44 C ATOM 1983 O VAL A 130 -2.982 11.072 -57.903 1.00 70.32 O ATOM 1984 CB VAL A 130 -3.808 11.201 -55.254 1.00 20.24 C ATOM 1985 CG1 VAL A 130 -5.159 11.703 -55.774 1.00 51.34 C ATOM 1986 CG2 VAL A 130 -3.823 11.092 -53.730 1.00 32.12 C ATOM 1987 OXT VAL A 130 -3.434 8.935 -58.105 1.00 0.00 O ATOM 0 H VAL A 130 -1.388 9.935 -55.443 1.00 71.35 H new ATOM 0 HA VAL A 130 -4.240 9.141 -55.655 1.00 3.33 H new ATOM 0 HB VAL A 130 -3.049 11.928 -55.543 1.00 20.24 H new ATOM 0 HG11 VAL A 130 -5.395 12.661 -55.310 1.00 51.34 H new ATOM 0 HG12 VAL A 130 -5.109 11.827 -56.856 1.00 51.34 H new ATOM 0 HG13 VAL A 130 -5.936 10.979 -55.527 1.00 51.34 H new ATOM 0 HG21 VAL A 130 -4.088 12.057 -53.299 1.00 32.12 H new ATOM 0 HG22 VAL A 130 -4.556 10.345 -53.426 1.00 32.12 H new ATOM 0 HG23 VAL A 130 -2.835 10.795 -53.377 1.00 32.12 H new