USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=23 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 28 LYS NZ :NH3+ -171:sc= 1.16 (180deg=-0.0212) USER MOD Set 1.2: A 89 THR OG1 : rot -28:sc= 1.26 USER MOD Set 2.1: A 62 SER OG : rot 52:sc= 0.573 USER MOD Set 2.2: A 65 SER OG : rot 150:sc= -0.549 USER MOD Set 3.1: A 47 THR OG1 : rot 71:sc= 0.733 USER MOD Set 3.2: A 71 GLN : amide:sc= 0.32 X(o=1.1,f=0.97) USER MOD Set 4.1: A 29 LYS NZ :NH3+ -172:sc= -1.56! (180deg=-2.25!) USER MOD Set 4.2: A 99 THR OG1 : rot -120:sc= 0.339 USER MOD Single : A 25 GLN :FLIP amide:sc= -0.0519 F(o=-0.76,f=-0.052) USER MOD Single : A 32 THR OG1 : rot 180:sc=-0.00643 USER MOD Single : A 38 THR OG1 : rot 48:sc= -2.49! USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -2.5! C(o=-2.5!,f=-3.5!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 166:sc= -0.0447 (180deg=-0.244) USER MOD Single : A 49 HIS : no HE2:sc= -3.59! C(o=-3.6!,f=-11!) USER MOD Single : A 50 TYR OH : rot 160:sc= 0.221 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0.667 K(o=0.67,f=-10!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ -164:sc= 1.19 (180deg=0.818) USER MOD Single : A 85 GLN : amide:sc= -0.041 K(o=-0.041,f=-1.8!) USER MOD Single : A 90 MET CE :methyl -179:sc= -3.24 (180deg=-3.35) USER MOD Single : A 91 THR OG1 : rot -110:sc= 0.0515 USER MOD Single : A 95 LYS NZ :NH3+ 172:sc= 0.16 (180deg=-0.043) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot -130:sc= 0.616 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 345 N GLN A 25 -18.053 -1.834 -33.212 1.00 52.11 N ATOM 346 CA GLN A 25 -16.739 -1.355 -32.792 1.00 33.31 C ATOM 347 C GLN A 25 -15.913 -0.977 -34.018 1.00 11.54 C ATOM 348 O GLN A 25 -15.889 -1.712 -35.006 1.00 33.33 O ATOM 349 CB GLN A 25 -16.013 -2.429 -31.967 1.00 24.32 C ATOM 350 CG GLN A 25 -16.739 -2.807 -30.678 1.00 62.34 C ATOM 351 CD GLN A 25 -16.896 -1.638 -29.712 1.00 50.24 C ATOM 352 OE1 GLN A 25 -15.935 -0.726 -29.703 1.00 54.31 O flip ATOM 353 NE2 GLN A 25 -17.873 -1.560 -28.968 1.00 0.52 N flip ATOM 0 HA GLN A 25 -16.868 -0.473 -32.165 1.00 33.31 H new ATOM 0 HB2 GLN A 25 -15.889 -3.322 -32.579 1.00 24.32 H new ATOM 0 HB3 GLN A 25 -15.014 -2.071 -31.719 1.00 24.32 H new ATOM 0 HG2 GLN A 25 -17.725 -3.200 -30.926 1.00 62.34 H new ATOM 0 HG3 GLN A 25 -16.192 -3.609 -30.182 1.00 62.34 H new ATOM 0 HE21 GLN A 25 -18.596 -2.279 -28.999 1.00 0.52 H new ATOM 0 HE22 GLN A 25 -17.960 -0.777 -28.320 1.00 0.52 H new ATOM 362 N LEU A 26 -15.243 0.168 -33.954 1.00 30.13 N ATOM 363 CA LEU A 26 -14.481 0.679 -35.090 1.00 12.14 C ATOM 364 C LEU A 26 -13.053 1.013 -34.663 1.00 51.43 C ATOM 365 O LEU A 26 -12.834 1.871 -33.801 1.00 61.15 O ATOM 366 CB LEU A 26 -15.173 1.922 -35.671 1.00 71.53 C ATOM 367 CG LEU A 26 -14.545 2.485 -36.957 1.00 4.02 C ATOM 368 CD1 LEU A 26 -14.600 1.455 -38.085 1.00 1.33 C ATOM 369 CD2 LEU A 26 -15.240 3.782 -37.372 1.00 14.44 C ATOM 0 H LEU A 26 -15.211 0.762 -33.126 1.00 30.13 H new ATOM 0 HA LEU A 26 -14.439 -0.090 -35.861 1.00 12.14 H new ATOM 0 HB2 LEU A 26 -16.215 1.676 -35.873 1.00 71.53 H new ATOM 0 HB3 LEU A 26 -15.172 2.705 -34.913 1.00 71.53 H new ATOM 0 HG LEU A 26 -13.497 2.708 -36.755 1.00 4.02 H new ATOM 0 HD11 LEU A 26 -14.150 1.876 -38.984 1.00 1.33 H new ATOM 0 HD12 LEU A 26 -14.051 0.561 -37.789 1.00 1.33 H new ATOM 0 HD13 LEU A 26 -15.638 1.192 -38.288 1.00 1.33 H new ATOM 0 HD21 LEU A 26 -14.782 4.165 -38.284 1.00 14.44 H new ATOM 0 HD22 LEU A 26 -16.297 3.587 -37.552 1.00 14.44 H new ATOM 0 HD23 LEU A 26 -15.137 4.520 -36.577 1.00 14.44 H new ATOM 381 N GLU A 27 -12.083 0.328 -35.263 1.00 2.20 N ATOM 382 CA GLU A 27 -10.676 0.528 -34.930 1.00 14.02 C ATOM 383 C GLU A 27 -9.869 0.894 -36.168 1.00 65.33 C ATOM 384 O GLU A 27 -10.138 0.406 -37.267 1.00 60.33 O ATOM 385 CB GLU A 27 -10.069 -0.738 -34.323 1.00 53.11 C ATOM 386 CG GLU A 27 -10.769 -1.269 -33.082 1.00 1.14 C ATOM 387 CD GLU A 27 -10.042 -2.479 -32.518 1.00 4.22 C ATOM 388 OE1 GLU A 27 -10.162 -3.576 -33.103 1.00 35.30 O ATOM 389 OE2 GLU A 27 -9.276 -2.320 -31.547 1.00 43.34 O ATOM 0 H GLU A 27 -12.247 -0.373 -35.985 1.00 2.20 H new ATOM 0 HA GLU A 27 -10.634 1.342 -34.206 1.00 14.02 H new ATOM 0 HB2 GLU A 27 -10.070 -1.520 -35.082 1.00 53.11 H new ATOM 0 HB3 GLU A 27 -9.027 -0.537 -34.073 1.00 53.11 H new ATOM 0 HG2 GLU A 27 -10.819 -0.486 -32.326 1.00 1.14 H new ATOM 0 HG3 GLU A 27 -11.796 -1.540 -33.328 1.00 1.14 H new ATOM 396 N LYS A 28 -8.860 1.733 -35.973 1.00 20.23 N ATOM 397 CA LYS A 28 -7.907 2.064 -37.026 1.00 1.42 C ATOM 398 C LYS A 28 -6.503 2.165 -36.429 1.00 24.22 C ATOM 399 O LYS A 28 -6.213 3.072 -35.650 1.00 43.22 O ATOM 400 CB LYS A 28 -8.298 3.375 -37.733 1.00 13.42 C ATOM 401 CG LYS A 28 -8.495 4.567 -36.793 1.00 53.12 C ATOM 402 CD LYS A 28 -8.719 5.872 -37.558 1.00 50.34 C ATOM 403 CE LYS A 28 -7.524 6.227 -38.437 1.00 71.00 C ATOM 404 NZ LYS A 28 -7.674 7.562 -39.075 1.00 31.34 N ATOM 0 H LYS A 28 -8.679 2.202 -35.085 1.00 20.23 H new ATOM 0 HA LYS A 28 -7.919 1.272 -37.775 1.00 1.42 H new ATOM 0 HB2 LYS A 28 -7.526 3.625 -38.460 1.00 13.42 H new ATOM 0 HB3 LYS A 28 -9.220 3.212 -38.291 1.00 13.42 H new ATOM 0 HG2 LYS A 28 -9.349 4.378 -36.142 1.00 53.12 H new ATOM 0 HG3 LYS A 28 -7.621 4.670 -36.150 1.00 53.12 H new ATOM 0 HD2 LYS A 28 -9.611 5.781 -38.177 1.00 50.34 H new ATOM 0 HD3 LYS A 28 -8.903 6.681 -36.851 1.00 50.34 H new ATOM 0 HE2 LYS A 28 -6.615 6.214 -37.835 1.00 71.00 H new ATOM 0 HE3 LYS A 28 -7.405 5.468 -39.210 1.00 71.00 H new ATOM 0 HZ1 LYS A 28 -6.919 7.698 -39.778 1.00 31.34 H new ATOM 0 HZ2 LYS A 28 -8.600 7.620 -39.545 1.00 31.34 H new ATOM 0 HZ3 LYS A 28 -7.608 8.303 -38.349 1.00 31.34 H new ATOM 418 N LYS A 29 -5.640 1.213 -36.770 1.00 10.31 N ATOM 419 CA LYS A 29 -4.270 1.207 -36.265 1.00 4.51 C ATOM 420 C LYS A 29 -3.305 1.562 -37.392 1.00 32.22 C ATOM 421 O LYS A 29 -3.122 0.781 -38.323 1.00 50.14 O ATOM 422 CB LYS A 29 -3.893 -0.169 -35.675 1.00 34.44 C ATOM 423 CG LYS A 29 -4.780 -0.651 -34.520 1.00 63.44 C ATOM 424 CD LYS A 29 -5.960 -1.508 -35.001 1.00 73.32 C ATOM 425 CE LYS A 29 -6.734 -2.115 -33.828 1.00 34.34 C ATOM 426 NZ LYS A 29 -7.767 -3.102 -34.269 1.00 5.41 N ATOM 0 H LYS A 29 -5.864 0.437 -37.393 1.00 10.31 H new ATOM 0 HA LYS A 29 -4.200 1.948 -35.469 1.00 4.51 H new ATOM 0 HB2 LYS A 29 -3.929 -0.911 -36.473 1.00 34.44 H new ATOM 0 HB3 LYS A 29 -2.861 -0.126 -35.326 1.00 34.44 H new ATOM 0 HG2 LYS A 29 -4.177 -1.229 -33.820 1.00 63.44 H new ATOM 0 HG3 LYS A 29 -5.161 0.212 -33.974 1.00 63.44 H new ATOM 0 HD2 LYS A 29 -6.632 -0.897 -35.603 1.00 73.32 H new ATOM 0 HD3 LYS A 29 -5.591 -2.306 -35.646 1.00 73.32 H new ATOM 0 HE2 LYS A 29 -6.034 -2.605 -33.151 1.00 34.34 H new ATOM 0 HE3 LYS A 29 -7.217 -1.317 -33.264 1.00 34.34 H new ATOM 0 HZ1 LYS A 29 -8.351 -3.381 -33.455 1.00 5.41 H new ATOM 0 HZ2 LYS A 29 -8.371 -2.670 -34.997 1.00 5.41 H new ATOM 0 HZ3 LYS A 29 -7.298 -3.943 -34.662 1.00 5.41 H new ATOM 440 N VAL A 30 -2.699 2.740 -37.314 1.00 1.11 N ATOM 441 CA VAL A 30 -1.742 3.178 -38.325 1.00 62.04 C ATOM 442 C VAL A 30 -0.435 2.394 -38.188 1.00 61.23 C ATOM 443 O VAL A 30 0.279 2.520 -37.193 1.00 52.32 O ATOM 444 CB VAL A 30 -1.474 4.708 -38.244 1.00 12.12 C ATOM 445 CG1 VAL A 30 -1.036 5.125 -36.836 1.00 33.10 C ATOM 446 CG2 VAL A 30 -0.444 5.138 -39.295 1.00 70.43 C ATOM 0 H VAL A 30 -2.853 3.411 -36.561 1.00 1.11 H new ATOM 0 HA VAL A 30 -2.177 2.977 -39.304 1.00 62.04 H new ATOM 0 HB VAL A 30 -2.411 5.222 -38.460 1.00 12.12 H new ATOM 0 HG11 VAL A 30 -0.857 6.200 -36.814 1.00 33.10 H new ATOM 0 HG12 VAL A 30 -1.820 4.873 -36.122 1.00 33.10 H new ATOM 0 HG13 VAL A 30 -0.119 4.599 -36.569 1.00 33.10 H new ATOM 0 HG21 VAL A 30 -0.273 6.212 -39.219 1.00 70.43 H new ATOM 0 HG22 VAL A 30 0.493 4.608 -39.124 1.00 70.43 H new ATOM 0 HG23 VAL A 30 -0.819 4.900 -40.290 1.00 70.43 H new ATOM 456 N LEU A 31 -0.140 1.560 -39.182 1.00 3.31 N ATOM 457 CA LEU A 31 1.046 0.707 -39.149 1.00 51.44 C ATOM 458 C LEU A 31 2.218 1.412 -39.823 1.00 63.53 C ATOM 459 O LEU A 31 3.378 1.194 -39.470 1.00 71.22 O ATOM 460 CB LEU A 31 0.756 -0.629 -39.847 1.00 73.13 C ATOM 461 CG LEU A 31 -0.425 -1.431 -39.272 1.00 33.10 C ATOM 462 CD1 LEU A 31 -0.614 -2.742 -40.032 1.00 41.32 C ATOM 463 CD2 LEU A 31 -0.233 -1.689 -37.777 1.00 61.33 C ATOM 0 H LEU A 31 -0.708 1.456 -40.023 1.00 3.31 H new ATOM 0 HA LEU A 31 1.308 0.508 -38.110 1.00 51.44 H new ATOM 0 HB2 LEU A 31 0.562 -0.434 -40.902 1.00 73.13 H new ATOM 0 HB3 LEU A 31 1.652 -1.248 -39.797 1.00 73.13 H new ATOM 0 HG LEU A 31 -1.330 -0.836 -39.397 1.00 33.10 H new ATOM 0 HD11 LEU A 31 -1.454 -3.291 -39.607 1.00 41.32 H new ATOM 0 HD12 LEU A 31 -0.814 -2.528 -41.082 1.00 41.32 H new ATOM 0 HD13 LEU A 31 0.291 -3.344 -39.950 1.00 41.32 H new ATOM 0 HD21 LEU A 31 -1.081 -2.257 -37.394 1.00 61.33 H new ATOM 0 HD22 LEU A 31 0.685 -2.256 -37.621 1.00 61.33 H new ATOM 0 HD23 LEU A 31 -0.166 -0.738 -37.249 1.00 61.33 H new ATOM 475 N THR A 32 1.898 2.254 -40.794 1.00 73.42 N ATOM 476 CA THR A 32 2.890 3.046 -41.504 1.00 63.14 C ATOM 477 C THR A 32 2.317 4.437 -41.771 1.00 74.03 C ATOM 478 O THR A 32 1.377 4.574 -42.551 1.00 24.43 O ATOM 479 CB THR A 32 3.279 2.373 -42.847 1.00 71.24 C ATOM 480 OG1 THR A 32 3.686 1.015 -42.611 1.00 42.12 O ATOM 481 CG2 THR A 32 4.404 3.131 -43.550 1.00 61.24 C ATOM 0 H THR A 32 0.941 2.407 -41.112 1.00 73.42 H new ATOM 0 HA THR A 32 3.787 3.121 -40.890 1.00 63.14 H new ATOM 0 HB THR A 32 2.403 2.390 -43.496 1.00 71.24 H new ATOM 0 HG1 THR A 32 3.929 0.594 -43.462 1.00 42.12 H new ATOM 0 HG21 THR A 32 4.650 2.631 -44.487 1.00 61.24 H new ATOM 0 HG22 THR A 32 4.081 4.151 -43.757 1.00 61.24 H new ATOM 0 HG23 THR A 32 5.285 3.152 -42.908 1.00 61.24 H new ATOM 489 N PRO A 33 2.844 5.480 -41.105 1.00 53.10 N ATOM 490 CA PRO A 33 2.344 6.850 -41.272 1.00 31.44 C ATOM 491 C PRO A 33 2.700 7.428 -42.643 1.00 3.51 C ATOM 492 O PRO A 33 3.830 7.280 -43.112 1.00 22.31 O ATOM 493 CB PRO A 33 3.046 7.626 -40.150 1.00 1.05 C ATOM 494 CG PRO A 33 4.296 6.855 -39.883 1.00 71.12 C ATOM 495 CD PRO A 33 3.955 5.408 -40.134 1.00 42.35 C ATOM 0 HA PRO A 33 1.257 6.902 -41.218 1.00 31.44 H new ATOM 0 HB2 PRO A 33 3.269 8.649 -40.455 1.00 1.05 H new ATOM 0 HB3 PRO A 33 2.421 7.688 -39.259 1.00 1.05 H new ATOM 0 HG2 PRO A 33 5.104 7.184 -40.536 1.00 71.12 H new ATOM 0 HG3 PRO A 33 4.634 7.004 -38.858 1.00 71.12 H new ATOM 0 HD2 PRO A 33 4.806 4.859 -40.537 1.00 42.35 H new ATOM 0 HD3 PRO A 33 3.655 4.901 -39.217 1.00 42.35 H new ATOM 503 N GLY A 34 1.732 8.080 -43.278 1.00 1.22 N ATOM 504 CA GLY A 34 1.965 8.696 -44.570 1.00 71.12 C ATOM 505 C GLY A 34 2.665 10.027 -44.437 1.00 51.22 C ATOM 506 O GLY A 34 3.212 10.344 -43.374 1.00 33.52 O ATOM 0 H GLY A 34 0.785 8.193 -42.918 1.00 1.22 H new ATOM 0 HA2 GLY A 34 2.566 8.029 -45.188 1.00 71.12 H new ATOM 0 HA3 GLY A 34 1.014 8.835 -45.084 1.00 71.12 H new ATOM 510 N ASP A 35 2.655 10.814 -45.506 1.00 1.32 N ATOM 511 CA ASP A 35 3.283 12.139 -45.486 1.00 65.45 C ATOM 512 C ASP A 35 2.481 13.116 -44.631 1.00 14.34 C ATOM 513 O ASP A 35 3.005 14.145 -44.204 1.00 32.43 O ATOM 514 CB ASP A 35 3.447 12.701 -46.907 1.00 64.24 C ATOM 515 CG ASP A 35 4.653 12.126 -47.630 1.00 72.41 C ATOM 516 OD1 ASP A 35 4.517 11.078 -48.296 1.00 51.11 O ATOM 517 OD2 ASP A 35 5.746 12.728 -47.539 1.00 4.21 O ATOM 0 H ASP A 35 2.223 10.564 -46.395 1.00 1.32 H new ATOM 0 HA ASP A 35 4.272 12.019 -45.045 1.00 65.45 H new ATOM 0 HB2 ASP A 35 2.547 12.487 -47.484 1.00 64.24 H new ATOM 0 HB3 ASP A 35 3.543 13.786 -46.855 1.00 64.24 H new ATOM 522 N GLY A 36 1.208 12.806 -44.411 1.00 33.03 N ATOM 523 CA GLY A 36 0.357 13.636 -43.567 1.00 42.44 C ATOM 524 C GLY A 36 -0.088 14.930 -44.239 1.00 51.13 C ATOM 525 O GLY A 36 -1.178 15.435 -43.959 1.00 23.41 O ATOM 0 H GLY A 36 0.744 11.988 -44.805 1.00 33.03 H new ATOM 0 HA2 GLY A 36 -0.525 13.064 -43.279 1.00 42.44 H new ATOM 0 HA3 GLY A 36 0.894 13.878 -42.650 1.00 42.44 H new ATOM 529 N VAL A 37 0.743 15.460 -45.131 1.00 62.44 N ATOM 530 CA VAL A 37 0.444 16.707 -45.826 1.00 70.24 C ATOM 531 C VAL A 37 -0.307 16.437 -47.131 1.00 51.32 C ATOM 532 O VAL A 37 -1.151 17.232 -47.552 1.00 73.24 O ATOM 533 CB VAL A 37 1.741 17.507 -46.123 1.00 11.24 C ATOM 534 CG1 VAL A 37 2.454 17.875 -44.821 1.00 11.54 C ATOM 535 CG2 VAL A 37 2.673 16.725 -47.050 1.00 52.31 C ATOM 0 H VAL A 37 1.636 15.041 -45.391 1.00 62.44 H new ATOM 0 HA VAL A 37 -0.191 17.303 -45.170 1.00 70.24 H new ATOM 0 HB VAL A 37 1.460 18.428 -46.634 1.00 11.24 H new ATOM 0 HG11 VAL A 37 3.361 18.435 -45.049 1.00 11.54 H new ATOM 0 HG12 VAL A 37 1.794 18.487 -44.205 1.00 11.54 H new ATOM 0 HG13 VAL A 37 2.716 16.966 -44.280 1.00 11.54 H new ATOM 0 HG21 VAL A 37 3.573 17.311 -47.240 1.00 52.31 H new ATOM 0 HG22 VAL A 37 2.947 15.781 -46.579 1.00 52.31 H new ATOM 0 HG23 VAL A 37 2.164 16.525 -47.993 1.00 52.31 H new ATOM 545 N THR A 38 0.000 15.309 -47.762 1.00 10.01 N ATOM 546 CA THR A 38 -0.642 14.926 -49.011 1.00 12.05 C ATOM 547 C THR A 38 -2.021 14.313 -48.743 1.00 25.34 C ATOM 548 O THR A 38 -2.142 13.196 -48.230 1.00 54.22 O ATOM 549 CB THR A 38 0.259 13.953 -49.802 1.00 44.23 C ATOM 550 OG1 THR A 38 0.917 13.055 -48.893 1.00 15.11 O ATOM 551 CG2 THR A 38 1.300 14.712 -50.621 1.00 33.03 C ATOM 0 H THR A 38 0.694 14.641 -47.425 1.00 10.01 H new ATOM 0 HA THR A 38 -0.787 15.820 -49.618 1.00 12.05 H new ATOM 0 HB THR A 38 -0.369 13.386 -50.489 1.00 44.23 H new ATOM 0 HG1 THR A 38 0.261 12.687 -48.265 1.00 15.11 H new ATOM 0 HG21 THR A 38 1.921 14.002 -51.168 1.00 33.03 H new ATOM 0 HG22 THR A 38 0.797 15.373 -51.327 1.00 33.03 H new ATOM 0 HG23 THR A 38 1.927 15.304 -49.954 1.00 33.03 H new ATOM 559 N LYS A 39 -3.054 15.076 -49.087 1.00 43.31 N ATOM 560 CA LYS A 39 -4.438 14.732 -48.778 1.00 13.11 C ATOM 561 C LYS A 39 -5.106 13.996 -49.945 1.00 41.21 C ATOM 562 O LYS A 39 -5.086 14.476 -51.081 1.00 63.14 O ATOM 563 CB LYS A 39 -5.214 16.024 -48.462 1.00 22.03 C ATOM 564 CG LYS A 39 -5.097 17.076 -49.568 1.00 14.54 C ATOM 565 CD LYS A 39 -5.790 18.391 -49.220 1.00 41.50 C ATOM 566 CE LYS A 39 -5.571 19.429 -50.317 1.00 4.21 C ATOM 567 NZ LYS A 39 -6.208 20.732 -49.999 1.00 32.51 N ATOM 0 H LYS A 39 -2.954 15.957 -49.592 1.00 43.31 H new ATOM 0 HA LYS A 39 -4.448 14.065 -47.916 1.00 13.11 H new ATOM 0 HB2 LYS A 39 -6.266 15.782 -48.308 1.00 22.03 H new ATOM 0 HB3 LYS A 39 -4.844 16.445 -47.527 1.00 22.03 H new ATOM 0 HG2 LYS A 39 -4.043 17.269 -49.767 1.00 14.54 H new ATOM 0 HG3 LYS A 39 -5.527 16.678 -50.487 1.00 14.54 H new ATOM 0 HD2 LYS A 39 -6.858 18.219 -49.084 1.00 41.50 H new ATOM 0 HD3 LYS A 39 -5.405 18.770 -48.273 1.00 41.50 H new ATOM 0 HE2 LYS A 39 -4.501 19.577 -50.465 1.00 4.21 H new ATOM 0 HE3 LYS A 39 -5.973 19.051 -51.257 1.00 4.21 H new ATOM 0 HZ1 LYS A 39 -6.031 21.403 -50.774 1.00 32.51 H new ATOM 0 HZ2 LYS A 39 -7.233 20.598 -49.884 1.00 32.51 H new ATOM 0 HZ3 LYS A 39 -5.807 21.108 -49.117 1.00 32.51 H new ATOM 581 N PRO A 40 -5.681 12.806 -49.693 1.00 42.33 N ATOM 582 CA PRO A 40 -6.528 12.112 -50.664 1.00 34.02 C ATOM 583 C PRO A 40 -7.927 12.734 -50.699 1.00 15.53 C ATOM 584 O PRO A 40 -8.714 12.565 -49.761 1.00 20.24 O ATOM 585 CB PRO A 40 -6.580 10.657 -50.143 1.00 14.44 C ATOM 586 CG PRO A 40 -5.647 10.609 -48.970 1.00 71.04 C ATOM 587 CD PRO A 40 -5.539 12.022 -48.462 1.00 13.23 C ATOM 0 HA PRO A 40 -6.144 12.175 -51.682 1.00 34.02 H new ATOM 0 HB2 PRO A 40 -7.593 10.383 -49.848 1.00 14.44 H new ATOM 0 HB3 PRO A 40 -6.272 9.954 -50.917 1.00 14.44 H new ATOM 0 HG2 PRO A 40 -6.030 9.945 -48.195 1.00 71.04 H new ATOM 0 HG3 PRO A 40 -4.670 10.225 -49.265 1.00 71.04 H new ATOM 0 HD2 PRO A 40 -6.320 12.255 -47.738 1.00 13.23 H new ATOM 0 HD3 PRO A 40 -4.584 12.206 -47.970 1.00 13.23 H new ATOM 595 N GLN A 41 -8.216 13.481 -51.763 1.00 71.30 N ATOM 596 CA GLN A 41 -9.484 14.203 -51.886 1.00 74.23 C ATOM 597 C GLN A 41 -10.559 13.328 -52.527 1.00 54.51 C ATOM 598 O GLN A 41 -10.267 12.499 -53.391 1.00 73.51 O ATOM 599 CB GLN A 41 -9.297 15.479 -52.719 1.00 32.32 C ATOM 600 CG GLN A 41 -8.329 16.487 -52.107 1.00 20.14 C ATOM 601 CD GLN A 41 -8.187 17.761 -52.927 1.00 75.11 C ATOM 602 OE1 GLN A 41 -7.129 18.389 -52.936 1.00 42.13 O ATOM 603 NE2 GLN A 41 -9.250 18.161 -53.613 1.00 32.25 N ATOM 0 H GLN A 41 -7.587 13.603 -52.557 1.00 71.30 H new ATOM 0 HA GLN A 41 -9.809 14.472 -50.881 1.00 74.23 H new ATOM 0 HB2 GLN A 41 -8.938 15.203 -53.711 1.00 32.32 H new ATOM 0 HB3 GLN A 41 -10.267 15.958 -52.853 1.00 32.32 H new ATOM 0 HG2 GLN A 41 -8.670 16.745 -51.104 1.00 20.14 H new ATOM 0 HG3 GLN A 41 -7.349 16.021 -52.000 1.00 20.14 H new ATOM 0 HE21 GLN A 41 -10.111 17.616 -53.583 1.00 32.25 H new ATOM 0 HE22 GLN A 41 -9.206 19.014 -54.171 1.00 32.25 H new ATOM 612 N ALA A 42 -11.802 13.524 -52.093 1.00 32.14 N ATOM 613 CA ALA A 42 -12.943 12.839 -52.689 1.00 64.43 C ATOM 614 C ALA A 42 -13.265 13.453 -54.049 1.00 53.00 C ATOM 615 O ALA A 42 -12.925 14.610 -54.311 1.00 74.42 O ATOM 616 CB ALA A 42 -14.153 12.916 -51.767 1.00 22.33 C ATOM 0 H ALA A 42 -12.044 14.154 -51.328 1.00 32.14 H new ATOM 0 HA ALA A 42 -12.689 11.788 -52.829 1.00 64.43 H new ATOM 0 HB1 ALA A 42 -14.995 12.400 -52.228 1.00 22.33 H new ATOM 0 HB2 ALA A 42 -13.915 12.443 -50.814 1.00 22.33 H new ATOM 0 HB3 ALA A 42 -14.416 13.960 -51.598 1.00 22.33 H new ATOM 622 N GLY A 43 -13.925 12.682 -54.906 1.00 22.23 N ATOM 623 CA GLY A 43 -14.221 13.145 -56.252 1.00 40.21 C ATOM 624 C GLY A 43 -12.985 13.137 -57.132 1.00 65.14 C ATOM 625 O GLY A 43 -12.957 13.768 -58.189 1.00 43.04 O ATOM 0 H GLY A 43 -14.261 11.743 -54.694 1.00 22.23 H new ATOM 0 HA2 GLY A 43 -14.988 12.509 -56.695 1.00 40.21 H new ATOM 0 HA3 GLY A 43 -14.630 14.154 -56.208 1.00 40.21 H new ATOM 629 N LYS A 44 -11.959 12.416 -56.683 1.00 15.02 N ATOM 630 CA LYS A 44 -10.699 12.297 -57.411 1.00 4.12 C ATOM 631 C LYS A 44 -10.268 10.836 -57.471 1.00 2.42 C ATOM 632 O LYS A 44 -10.655 10.034 -56.616 1.00 21.32 O ATOM 633 CB LYS A 44 -9.596 13.133 -56.732 1.00 74.43 C ATOM 634 CG LYS A 44 -9.842 14.641 -56.759 1.00 13.21 C ATOM 635 CD LYS A 44 -9.837 15.202 -58.180 1.00 25.44 C ATOM 636 CE LYS A 44 -8.493 15.001 -58.871 1.00 74.31 C ATOM 637 NZ LYS A 44 -8.495 15.534 -60.258 1.00 24.40 N ATOM 0 H LYS A 44 -11.979 11.898 -55.804 1.00 15.02 H new ATOM 0 HA LYS A 44 -10.851 12.673 -58.423 1.00 4.12 H new ATOM 0 HB2 LYS A 44 -9.499 12.811 -55.695 1.00 74.43 H new ATOM 0 HB3 LYS A 44 -8.645 12.923 -57.221 1.00 74.43 H new ATOM 0 HG2 LYS A 44 -10.800 14.859 -56.288 1.00 13.21 H new ATOM 0 HG3 LYS A 44 -9.075 15.143 -56.169 1.00 13.21 H new ATOM 0 HD2 LYS A 44 -10.620 14.718 -58.763 1.00 25.44 H new ATOM 0 HD3 LYS A 44 -10.073 16.266 -58.150 1.00 25.44 H new ATOM 0 HE2 LYS A 44 -7.711 15.495 -58.294 1.00 74.31 H new ATOM 0 HE3 LYS A 44 -8.251 13.938 -58.891 1.00 74.31 H new ATOM 0 HZ1 LYS A 44 -7.563 15.377 -60.692 1.00 24.40 H new ATOM 0 HZ2 LYS A 44 -9.223 15.045 -60.817 1.00 24.40 H new ATOM 0 HZ3 LYS A 44 -8.700 16.553 -60.238 1.00 24.40 H new ATOM 651 N LYS A 45 -9.479 10.499 -58.483 1.00 31.54 N ATOM 652 CA LYS A 45 -8.923 9.157 -58.618 1.00 2.24 C ATOM 653 C LYS A 45 -7.817 8.945 -57.586 1.00 43.32 C ATOM 654 O LYS A 45 -6.896 9.755 -57.488 1.00 1.42 O ATOM 655 CB LYS A 45 -8.364 8.959 -60.038 1.00 23.45 C ATOM 656 CG LYS A 45 -7.622 7.637 -60.245 1.00 51.53 C ATOM 657 CD LYS A 45 -8.541 6.423 -60.124 1.00 61.23 C ATOM 658 CE LYS A 45 -9.599 6.394 -61.220 1.00 43.20 C ATOM 659 NZ LYS A 45 -8.997 6.364 -62.579 1.00 55.24 N ATOM 0 H LYS A 45 -9.208 11.141 -59.228 1.00 31.54 H new ATOM 0 HA LYS A 45 -9.713 8.427 -58.445 1.00 2.24 H new ATOM 0 HB2 LYS A 45 -9.187 9.016 -60.751 1.00 23.45 H new ATOM 0 HB3 LYS A 45 -7.687 9.782 -60.267 1.00 23.45 H new ATOM 0 HG2 LYS A 45 -7.154 7.637 -61.230 1.00 51.53 H new ATOM 0 HG3 LYS A 45 -6.820 7.556 -59.511 1.00 51.53 H new ATOM 0 HD2 LYS A 45 -7.945 5.512 -60.172 1.00 61.23 H new ATOM 0 HD3 LYS A 45 -9.029 6.434 -59.150 1.00 61.23 H new ATOM 0 HE2 LYS A 45 -10.235 5.519 -61.086 1.00 43.20 H new ATOM 0 HE3 LYS A 45 -10.240 7.271 -61.127 1.00 43.20 H new ATOM 0 HZ1 LYS A 45 -9.725 6.108 -63.276 1.00 55.24 H new ATOM 0 HZ2 LYS A 45 -8.612 7.302 -62.809 1.00 55.24 H new ATOM 0 HZ3 LYS A 45 -8.232 5.660 -62.604 1.00 55.24 H new ATOM 673 N VAL A 46 -7.924 7.868 -56.814 1.00 62.24 N ATOM 674 CA VAL A 46 -6.911 7.516 -55.822 1.00 12.10 C ATOM 675 C VAL A 46 -6.402 6.093 -56.053 1.00 64.05 C ATOM 676 O VAL A 46 -7.137 5.228 -56.562 1.00 45.11 O ATOM 677 CB VAL A 46 -7.446 7.650 -54.369 1.00 33.35 C ATOM 678 CG1 VAL A 46 -7.834 9.096 -54.061 1.00 13.43 C ATOM 679 CG2 VAL A 46 -8.628 6.713 -54.133 1.00 33.14 C ATOM 0 H VAL A 46 -8.709 7.218 -56.857 1.00 62.24 H new ATOM 0 HA VAL A 46 -6.088 8.221 -55.944 1.00 12.10 H new ATOM 0 HB VAL A 46 -6.644 7.361 -53.690 1.00 33.35 H new ATOM 0 HG11 VAL A 46 -8.205 9.163 -53.038 1.00 13.43 H new ATOM 0 HG12 VAL A 46 -6.961 9.739 -54.173 1.00 13.43 H new ATOM 0 HG13 VAL A 46 -8.613 9.419 -54.752 1.00 13.43 H new ATOM 0 HG21 VAL A 46 -8.983 6.826 -53.109 1.00 33.14 H new ATOM 0 HG22 VAL A 46 -9.432 6.960 -54.826 1.00 33.14 H new ATOM 0 HG23 VAL A 46 -8.313 5.682 -54.296 1.00 33.14 H new ATOM 689 N THR A 47 -5.137 5.873 -55.680 1.00 20.33 N ATOM 690 CA THR A 47 -4.450 4.595 -55.859 1.00 43.45 C ATOM 691 C THR A 47 -4.190 3.923 -54.501 1.00 3.34 C ATOM 692 O THR A 47 -3.355 4.390 -53.707 1.00 53.32 O ATOM 693 CB THR A 47 -3.110 4.813 -56.599 1.00 31.33 C ATOM 694 OG1 THR A 47 -3.330 5.627 -57.763 1.00 10.14 O ATOM 695 CG2 THR A 47 -2.478 3.486 -57.016 1.00 54.21 C ATOM 0 H THR A 47 -4.557 6.587 -55.240 1.00 20.33 H new ATOM 0 HA THR A 47 -5.089 3.942 -56.454 1.00 43.45 H new ATOM 0 HB THR A 47 -2.425 5.314 -55.916 1.00 31.33 H new ATOM 0 HG1 THR A 47 -3.527 6.546 -57.487 1.00 10.14 H new ATOM 0 HG21 THR A 47 -1.538 3.677 -57.533 1.00 54.21 H new ATOM 0 HG22 THR A 47 -2.288 2.879 -56.131 1.00 54.21 H new ATOM 0 HG23 THR A 47 -3.157 2.953 -57.682 1.00 54.21 H new ATOM 703 N VAL A 48 -4.899 2.820 -54.250 1.00 1.43 N ATOM 704 CA VAL A 48 -4.893 2.160 -52.947 1.00 41.03 C ATOM 705 C VAL A 48 -4.594 0.652 -53.040 1.00 2.14 C ATOM 706 O VAL A 48 -4.412 0.090 -54.129 1.00 5.01 O ATOM 707 CB VAL A 48 -6.261 2.339 -52.243 1.00 25.31 C ATOM 708 CG1 VAL A 48 -6.598 3.818 -52.076 1.00 2.44 C ATOM 709 CG2 VAL A 48 -7.365 1.608 -53.013 1.00 31.14 C ATOM 0 H VAL A 48 -5.491 2.362 -54.943 1.00 1.43 H new ATOM 0 HA VAL A 48 -4.096 2.634 -52.374 1.00 41.03 H new ATOM 0 HB VAL A 48 -6.193 1.898 -51.249 1.00 25.31 H new ATOM 0 HG11 VAL A 48 -7.563 3.917 -51.579 1.00 2.44 H new ATOM 0 HG12 VAL A 48 -5.828 4.301 -51.474 1.00 2.44 H new ATOM 0 HG13 VAL A 48 -6.644 4.294 -53.056 1.00 2.44 H new ATOM 0 HG21 VAL A 48 -8.318 1.746 -52.502 1.00 31.14 H new ATOM 0 HG22 VAL A 48 -7.433 2.012 -54.023 1.00 31.14 H new ATOM 0 HG23 VAL A 48 -7.131 0.545 -53.063 1.00 31.14 H new ATOM 719 N HIS A 49 -4.537 0.027 -51.864 1.00 0.12 N ATOM 720 CA HIS A 49 -4.414 -1.422 -51.702 1.00 21.40 C ATOM 721 C HIS A 49 -5.311 -1.870 -50.548 1.00 62.51 C ATOM 722 O HIS A 49 -5.573 -1.091 -49.627 1.00 12.42 O ATOM 723 CB HIS A 49 -2.963 -1.840 -51.392 1.00 65.53 C ATOM 724 CG HIS A 49 -2.095 -2.071 -52.591 1.00 3.22 C ATOM 725 ND1 HIS A 49 -0.748 -1.776 -52.615 1.00 4.14 N ATOM 726 CD2 HIS A 49 -2.376 -2.620 -53.792 1.00 44.34 C ATOM 727 CE1 HIS A 49 -0.240 -2.134 -53.776 1.00 71.41 C ATOM 728 NE2 HIS A 49 -1.207 -2.649 -54.510 1.00 60.41 N ATOM 0 H HIS A 49 -4.576 0.527 -50.976 1.00 0.12 H new ATOM 0 HA HIS A 49 -4.713 -1.894 -52.638 1.00 21.40 H new ATOM 0 HB2 HIS A 49 -2.504 -1.068 -50.774 1.00 65.53 H new ATOM 0 HB3 HIS A 49 -2.984 -2.753 -50.797 1.00 65.53 H new ATOM 0 HD1 HIS A 49 -0.226 -1.347 -51.851 1.00 4.14 H new ATOM 0 HD2 HIS A 49 -3.341 -2.971 -54.126 1.00 44.34 H new ATOM 0 HE1 HIS A 49 0.792 -2.025 -54.076 1.00 71.41 H new ATOM 737 N TYR A 50 -5.771 -3.117 -50.598 1.00 14.34 N ATOM 738 CA TYR A 50 -6.574 -3.698 -49.524 1.00 11.42 C ATOM 739 C TYR A 50 -6.069 -5.101 -49.212 1.00 70.24 C ATOM 740 O TYR A 50 -5.657 -5.828 -50.120 1.00 63.33 O ATOM 741 CB TYR A 50 -8.057 -3.764 -49.923 1.00 61.52 C ATOM 742 CG TYR A 50 -8.679 -2.420 -50.247 1.00 44.20 C ATOM 743 CD1 TYR A 50 -8.827 -1.448 -49.265 1.00 71.34 C ATOM 744 CD2 TYR A 50 -9.128 -2.127 -51.533 1.00 44.43 C ATOM 745 CE1 TYR A 50 -9.402 -0.227 -49.550 1.00 2.23 C ATOM 746 CE2 TYR A 50 -9.702 -0.905 -51.826 1.00 51.13 C ATOM 747 CZ TYR A 50 -9.838 0.042 -50.829 1.00 62.13 C ATOM 748 OH TYR A 50 -10.411 1.261 -51.111 1.00 33.15 O ATOM 0 H TYR A 50 -5.600 -3.751 -51.379 1.00 14.34 H new ATOM 0 HA TYR A 50 -6.480 -3.065 -48.642 1.00 11.42 H new ATOM 0 HB2 TYR A 50 -8.159 -4.416 -50.790 1.00 61.52 H new ATOM 0 HB3 TYR A 50 -8.619 -4.224 -49.110 1.00 61.52 H new ATOM 0 HD1 TYR A 50 -8.486 -1.652 -48.261 1.00 71.34 H new ATOM 0 HD2 TYR A 50 -9.026 -2.867 -52.313 1.00 44.43 H new ATOM 0 HE1 TYR A 50 -9.510 0.516 -48.773 1.00 2.23 H new ATOM 0 HE2 TYR A 50 -10.042 -0.691 -52.828 1.00 51.13 H new ATOM 0 HH TYR A 50 -10.372 1.425 -52.076 1.00 33.15 H new ATOM 758 N ASP A 51 -6.074 -5.470 -47.934 1.00 4.52 N ATOM 759 CA ASP A 51 -5.722 -6.833 -47.528 1.00 51.23 C ATOM 760 C ASP A 51 -6.692 -7.332 -46.458 1.00 52.23 C ATOM 761 O ASP A 51 -7.124 -6.560 -45.607 1.00 72.43 O ATOM 762 CB ASP A 51 -4.279 -6.885 -47.008 1.00 43.42 C ATOM 763 CG ASP A 51 -3.747 -8.305 -46.873 1.00 52.30 C ATOM 764 OD1 ASP A 51 -4.213 -9.190 -47.621 1.00 62.22 O ATOM 765 OD2 ASP A 51 -2.836 -8.535 -46.050 1.00 54.15 O ATOM 0 H ASP A 51 -6.317 -4.849 -47.162 1.00 4.52 H new ATOM 0 HA ASP A 51 -5.796 -7.484 -48.399 1.00 51.23 H new ATOM 0 HB2 ASP A 51 -3.634 -6.324 -47.685 1.00 43.42 H new ATOM 0 HB3 ASP A 51 -4.230 -6.391 -46.038 1.00 43.42 H new ATOM 770 N GLY A 52 -7.025 -8.621 -46.501 1.00 64.23 N ATOM 771 CA GLY A 52 -8.014 -9.180 -45.586 1.00 20.04 C ATOM 772 C GLY A 52 -7.384 -10.061 -44.525 1.00 41.33 C ATOM 773 O GLY A 52 -6.474 -10.838 -44.823 1.00 22.22 O ATOM 0 H GLY A 52 -6.626 -9.293 -47.156 1.00 64.23 H new ATOM 0 HA2 GLY A 52 -8.559 -8.368 -45.104 1.00 20.04 H new ATOM 0 HA3 GLY A 52 -8.742 -9.761 -46.152 1.00 20.04 H new ATOM 777 N ARG A 53 -7.877 -9.964 -43.291 1.00 44.32 N ATOM 778 CA ARG A 53 -7.284 -10.683 -42.168 1.00 1.42 C ATOM 779 C ARG A 53 -8.285 -10.878 -41.026 1.00 33.53 C ATOM 780 O ARG A 53 -9.194 -10.064 -40.820 1.00 63.13 O ATOM 781 CB ARG A 53 -6.054 -9.915 -41.667 1.00 71.31 C ATOM 782 CG ARG A 53 -5.287 -10.605 -40.542 1.00 52.10 C ATOM 783 CD ARG A 53 -3.986 -9.877 -40.240 1.00 42.02 C ATOM 784 NE ARG A 53 -3.179 -9.730 -41.452 1.00 21.24 N ATOM 785 CZ ARG A 53 -2.581 -8.603 -41.831 1.00 61.51 C ATOM 786 NH1 ARG A 53 -2.593 -7.531 -41.049 1.00 32.45 N ATOM 787 NH2 ARG A 53 -1.959 -8.554 -43.000 1.00 4.41 N ATOM 0 H ARG A 53 -8.686 -9.394 -43.045 1.00 44.32 H new ATOM 0 HA ARG A 53 -6.988 -11.673 -42.514 1.00 1.42 H new ATOM 0 HB2 ARG A 53 -5.376 -9.754 -42.505 1.00 71.31 H new ATOM 0 HB3 ARG A 53 -6.372 -8.931 -41.322 1.00 71.31 H new ATOM 0 HG2 ARG A 53 -5.905 -10.640 -39.645 1.00 52.10 H new ATOM 0 HG3 ARG A 53 -5.074 -11.636 -40.822 1.00 52.10 H new ATOM 0 HD2 ARG A 53 -4.203 -8.895 -39.821 1.00 42.02 H new ATOM 0 HD3 ARG A 53 -3.422 -10.428 -39.487 1.00 42.02 H new ATOM 0 HE ARG A 53 -3.067 -10.550 -42.049 1.00 21.24 H new ATOM 0 HH11 ARG A 53 -3.064 -7.564 -40.145 1.00 32.45 H new ATOM 0 HH12 ARG A 53 -2.131 -6.674 -41.352 1.00 32.45 H new ATOM 0 HH21 ARG A 53 -1.941 -9.377 -43.603 1.00 4.41 H new ATOM 0 HH22 ARG A 53 -1.499 -7.694 -43.297 1.00 4.41 H new ATOM 801 N PHE A 54 -8.114 -11.976 -40.301 1.00 54.13 N ATOM 802 CA PHE A 54 -8.898 -12.256 -39.108 1.00 71.03 C ATOM 803 C PHE A 54 -8.275 -11.541 -37.904 1.00 14.50 C ATOM 804 O PHE A 54 -7.069 -11.286 -37.888 1.00 62.12 O ATOM 805 CB PHE A 54 -8.970 -13.772 -38.868 1.00 75.12 C ATOM 806 CG PHE A 54 -9.685 -14.521 -39.967 1.00 4.21 C ATOM 807 CD1 PHE A 54 -11.066 -14.653 -39.946 1.00 43.03 C ATOM 808 CD2 PHE A 54 -8.978 -15.088 -41.019 1.00 10.32 C ATOM 809 CE1 PHE A 54 -11.726 -15.336 -40.950 1.00 64.24 C ATOM 810 CE2 PHE A 54 -9.635 -15.771 -42.025 1.00 10.31 C ATOM 811 CZ PHE A 54 -11.010 -15.895 -41.991 1.00 33.43 C ATOM 0 H PHE A 54 -7.428 -12.697 -40.525 1.00 54.13 H new ATOM 0 HA PHE A 54 -9.914 -11.886 -39.246 1.00 71.03 H new ATOM 0 HB2 PHE A 54 -7.958 -14.165 -38.770 1.00 75.12 H new ATOM 0 HB3 PHE A 54 -9.478 -13.959 -37.922 1.00 75.12 H new ATOM 0 HD1 PHE A 54 -11.632 -14.217 -39.136 1.00 43.03 H new ATOM 0 HD2 PHE A 54 -7.903 -14.994 -41.051 1.00 10.32 H new ATOM 0 HE1 PHE A 54 -12.801 -15.433 -40.921 1.00 64.24 H new ATOM 0 HE2 PHE A 54 -9.073 -16.208 -42.838 1.00 10.31 H new ATOM 0 HZ PHE A 54 -11.525 -16.428 -42.777 1.00 33.43 H new ATOM 821 N PRO A 55 -9.087 -11.213 -36.878 1.00 32.51 N ATOM 822 CA PRO A 55 -8.639 -10.409 -35.721 1.00 12.25 C ATOM 823 C PRO A 55 -7.456 -11.022 -34.962 1.00 74.21 C ATOM 824 O PRO A 55 -6.746 -10.315 -34.241 1.00 2.34 O ATOM 825 CB PRO A 55 -9.886 -10.351 -34.817 1.00 42.22 C ATOM 826 CG PRO A 55 -10.748 -11.480 -35.275 1.00 14.43 C ATOM 827 CD PRO A 55 -10.506 -11.598 -36.751 1.00 41.45 C ATOM 0 HA PRO A 55 -8.272 -9.434 -36.043 1.00 12.25 H new ATOM 0 HB2 PRO A 55 -9.617 -10.461 -33.766 1.00 42.22 H new ATOM 0 HB3 PRO A 55 -10.401 -9.396 -34.916 1.00 42.22 H new ATOM 0 HG2 PRO A 55 -10.489 -12.405 -34.760 1.00 14.43 H new ATOM 0 HG3 PRO A 55 -11.799 -11.281 -35.065 1.00 14.43 H new ATOM 0 HD2 PRO A 55 -10.685 -12.611 -37.111 1.00 41.45 H new ATOM 0 HD3 PRO A 55 -11.158 -10.937 -37.322 1.00 41.45 H new ATOM 835 N ASP A 56 -7.238 -12.324 -35.126 1.00 72.30 N ATOM 836 CA ASP A 56 -6.171 -13.022 -34.397 1.00 2.21 C ATOM 837 C ASP A 56 -4.848 -12.951 -35.161 1.00 31.10 C ATOM 838 O ASP A 56 -3.847 -13.541 -34.746 1.00 51.45 O ATOM 839 CB ASP A 56 -6.562 -14.488 -34.138 1.00 33.21 C ATOM 840 CG ASP A 56 -6.591 -15.330 -35.405 1.00 3.34 C ATOM 841 OD1 ASP A 56 -7.349 -14.986 -36.336 1.00 33.45 O ATOM 842 OD2 ASP A 56 -5.856 -16.342 -35.472 1.00 1.05 O ATOM 0 H ASP A 56 -7.780 -12.919 -35.753 1.00 72.30 H new ATOM 0 HA ASP A 56 -6.037 -12.523 -33.437 1.00 2.21 H new ATOM 0 HB2 ASP A 56 -5.856 -14.927 -33.433 1.00 33.21 H new ATOM 0 HB3 ASP A 56 -7.544 -14.518 -33.666 1.00 33.21 H new ATOM 847 N GLY A 57 -4.848 -12.223 -36.276 1.00 5.43 N ATOM 848 CA GLY A 57 -3.631 -12.035 -37.054 1.00 3.42 C ATOM 849 C GLY A 57 -3.393 -13.166 -38.033 1.00 52.54 C ATOM 850 O GLY A 57 -2.255 -13.439 -38.424 1.00 13.40 O ATOM 0 H GLY A 57 -5.672 -11.758 -36.657 1.00 5.43 H new ATOM 0 HA2 GLY A 57 -3.693 -11.093 -37.599 1.00 3.42 H new ATOM 0 HA3 GLY A 57 -2.779 -11.957 -36.378 1.00 3.42 H new ATOM 854 N LYS A 58 -4.475 -13.819 -38.437 1.00 22.23 N ATOM 855 CA LYS A 58 -4.415 -14.941 -39.366 1.00 64.14 C ATOM 856 C LYS A 58 -5.099 -14.564 -40.677 1.00 44.42 C ATOM 857 O LYS A 58 -6.058 -13.794 -40.676 1.00 32.12 O ATOM 858 CB LYS A 58 -5.111 -16.155 -38.743 1.00 2.04 C ATOM 859 CG LYS A 58 -5.043 -17.431 -39.581 1.00 64.13 C ATOM 860 CD LYS A 58 -5.917 -18.530 -38.983 1.00 2.12 C ATOM 861 CE LYS A 58 -5.530 -18.840 -37.541 1.00 51.22 C ATOM 862 NZ LYS A 58 -6.559 -19.662 -36.854 1.00 12.14 N ATOM 0 H LYS A 58 -5.419 -13.586 -38.130 1.00 22.23 H new ATOM 0 HA LYS A 58 -3.373 -15.188 -39.570 1.00 64.14 H new ATOM 0 HB2 LYS A 58 -4.664 -16.352 -37.769 1.00 2.04 H new ATOM 0 HB3 LYS A 58 -6.158 -15.907 -38.569 1.00 2.04 H new ATOM 0 HG2 LYS A 58 -5.368 -17.218 -40.600 1.00 64.13 H new ATOM 0 HG3 LYS A 58 -4.011 -17.776 -39.641 1.00 64.13 H new ATOM 0 HD2 LYS A 58 -6.962 -18.224 -39.021 1.00 2.12 H new ATOM 0 HD3 LYS A 58 -5.827 -19.434 -39.586 1.00 2.12 H new ATOM 0 HE2 LYS A 58 -4.576 -19.367 -37.527 1.00 51.22 H new ATOM 0 HE3 LYS A 58 -5.387 -17.907 -36.995 1.00 51.22 H new ATOM 0 HZ1 LYS A 58 -6.257 -19.850 -35.877 1.00 12.14 H new ATOM 0 HZ2 LYS A 58 -7.464 -19.149 -36.844 1.00 12.14 H new ATOM 0 HZ3 LYS A 58 -6.678 -20.563 -37.359 1.00 12.14 H new ATOM 876 N GLN A 59 -4.603 -15.091 -41.793 1.00 62.31 N ATOM 877 CA GLN A 59 -5.218 -14.851 -43.096 1.00 30.32 C ATOM 878 C GLN A 59 -4.776 -15.923 -44.086 1.00 0.55 C ATOM 879 O GLN A 59 -3.741 -16.564 -43.892 1.00 71.44 O ATOM 880 CB GLN A 59 -4.863 -13.450 -43.621 1.00 41.23 C ATOM 881 CG GLN A 59 -3.443 -13.314 -44.163 1.00 10.35 C ATOM 882 CD GLN A 59 -3.073 -11.871 -44.459 1.00 72.33 C ATOM 883 OE1 GLN A 59 -2.481 -11.186 -43.626 1.00 24.21 O ATOM 884 NE2 GLN A 59 -3.453 -11.391 -45.629 1.00 55.00 N ATOM 0 H GLN A 59 -3.776 -15.688 -41.822 1.00 62.31 H new ATOM 0 HA GLN A 59 -6.301 -14.901 -42.983 1.00 30.32 H new ATOM 0 HB2 GLN A 59 -5.566 -13.184 -44.410 1.00 41.23 H new ATOM 0 HB3 GLN A 59 -5.001 -12.729 -42.815 1.00 41.23 H new ATOM 0 HG2 GLN A 59 -2.740 -13.726 -43.439 1.00 10.35 H new ATOM 0 HG3 GLN A 59 -3.346 -13.905 -45.073 1.00 10.35 H new ATOM 0 HE21 GLN A 59 -3.942 -11.992 -46.292 1.00 55.00 H new ATOM 0 HE22 GLN A 59 -3.258 -10.419 -45.869 1.00 55.00 H new ATOM 893 N PHE A 60 -5.571 -16.122 -45.134 1.00 4.41 N ATOM 894 CA PHE A 60 -5.278 -17.133 -46.147 1.00 50.42 C ATOM 895 C PHE A 60 -4.053 -16.735 -46.969 1.00 13.13 C ATOM 896 O PHE A 60 -3.186 -17.565 -47.255 1.00 51.22 O ATOM 897 CB PHE A 60 -6.499 -17.351 -47.062 1.00 41.42 C ATOM 898 CG PHE A 60 -6.953 -16.116 -47.808 1.00 61.13 C ATOM 899 CD1 PHE A 60 -7.726 -15.148 -47.180 1.00 40.54 C ATOM 900 CD2 PHE A 60 -6.603 -15.922 -49.139 1.00 12.31 C ATOM 901 CE1 PHE A 60 -8.137 -14.017 -47.860 1.00 73.53 C ATOM 902 CE2 PHE A 60 -7.015 -14.794 -49.824 1.00 10.14 C ATOM 903 CZ PHE A 60 -7.781 -13.840 -49.183 1.00 13.11 C ATOM 0 H PHE A 60 -6.427 -15.594 -45.305 1.00 4.41 H new ATOM 0 HA PHE A 60 -5.057 -18.072 -45.640 1.00 50.42 H new ATOM 0 HB2 PHE A 60 -6.260 -18.130 -47.786 1.00 41.42 H new ATOM 0 HB3 PHE A 60 -7.328 -17.721 -46.458 1.00 41.42 H new ATOM 0 HD1 PHE A 60 -8.010 -15.281 -46.146 1.00 40.54 H new ATOM 0 HD2 PHE A 60 -6.001 -16.662 -49.645 1.00 12.31 H new ATOM 0 HE1 PHE A 60 -8.736 -13.272 -47.357 1.00 73.53 H new ATOM 0 HE2 PHE A 60 -6.738 -14.659 -50.859 1.00 10.14 H new ATOM 0 HZ PHE A 60 -8.101 -12.957 -49.715 1.00 13.11 H new ATOM 913 N ASP A 61 -3.989 -15.454 -47.328 1.00 72.13 N ATOM 914 CA ASP A 61 -2.903 -14.922 -48.147 1.00 21.25 C ATOM 915 C ASP A 61 -2.974 -13.399 -48.180 1.00 45.30 C ATOM 916 O ASP A 61 -4.065 -12.825 -48.132 1.00 20.32 O ATOM 917 CB ASP A 61 -2.987 -15.485 -49.574 1.00 71.44 C ATOM 918 CG ASP A 61 -1.948 -14.888 -50.508 1.00 31.53 C ATOM 919 OD1 ASP A 61 -0.754 -15.208 -50.355 1.00 42.41 O ATOM 920 OD2 ASP A 61 -2.317 -14.096 -51.402 1.00 45.10 O ATOM 0 H ASP A 61 -4.686 -14.759 -47.060 1.00 72.13 H new ATOM 0 HA ASP A 61 -1.952 -15.224 -47.708 1.00 21.25 H new ATOM 0 HB2 ASP A 61 -2.859 -16.567 -49.540 1.00 71.44 H new ATOM 0 HB3 ASP A 61 -3.982 -15.294 -49.976 1.00 71.44 H new ATOM 925 N SER A 62 -1.814 -12.751 -48.230 1.00 2.52 N ATOM 926 CA SER A 62 -1.752 -11.297 -48.310 1.00 22.13 C ATOM 927 C SER A 62 -1.929 -10.854 -49.765 1.00 22.13 C ATOM 928 O SER A 62 -1.096 -11.151 -50.627 1.00 25.20 O ATOM 929 CB SER A 62 -0.422 -10.786 -47.736 1.00 73.41 C ATOM 930 OG SER A 62 -0.433 -9.374 -47.568 1.00 51.41 O ATOM 0 H SER A 62 -0.904 -13.211 -48.216 1.00 2.52 H new ATOM 0 HA SER A 62 -2.559 -10.869 -47.715 1.00 22.13 H new ATOM 0 HB2 SER A 62 -0.231 -11.266 -46.776 1.00 73.41 H new ATOM 0 HB3 SER A 62 0.394 -11.068 -48.401 1.00 73.41 H new ATOM 0 HG SER A 62 -1.224 -9.112 -47.053 1.00 51.41 H new ATOM 936 N SER A 63 -3.024 -10.153 -50.035 1.00 2.54 N ATOM 937 CA SER A 63 -3.379 -9.774 -51.397 1.00 61.15 C ATOM 938 C SER A 63 -2.713 -8.458 -51.813 1.00 30.33 C ATOM 939 O SER A 63 -2.447 -8.233 -52.995 1.00 20.53 O ATOM 940 CB SER A 63 -4.902 -9.670 -51.520 1.00 5.12 C ATOM 941 OG SER A 63 -5.518 -10.888 -51.128 1.00 11.23 O ATOM 0 H SER A 63 -3.684 -9.835 -49.325 1.00 2.54 H new ATOM 0 HA SER A 63 -3.012 -10.547 -52.072 1.00 61.15 H new ATOM 0 HB2 SER A 63 -5.268 -8.854 -50.897 1.00 5.12 H new ATOM 0 HB3 SER A 63 -5.174 -9.433 -52.548 1.00 5.12 H new ATOM 0 HG SER A 63 -6.491 -10.804 -51.211 1.00 11.23 H new ATOM 947 N ARG A 64 -2.432 -7.589 -50.847 1.00 62.05 N ATOM 948 CA ARG A 64 -1.789 -6.308 -51.147 1.00 51.31 C ATOM 949 C ARG A 64 -0.336 -6.517 -51.583 1.00 11.31 C ATOM 950 O ARG A 64 0.186 -5.770 -52.414 1.00 41.21 O ATOM 951 CB ARG A 64 -1.884 -5.347 -49.945 1.00 11.31 C ATOM 952 CG ARG A 64 -1.396 -5.928 -48.621 1.00 31.34 C ATOM 953 CD ARG A 64 0.104 -5.753 -48.401 1.00 61.25 C ATOM 954 NE ARG A 64 0.521 -6.360 -47.138 1.00 63.21 N ATOM 955 CZ ARG A 64 0.210 -5.870 -45.938 1.00 44.35 C ATOM 956 NH1 ARG A 64 -0.403 -4.696 -45.832 1.00 70.45 N ATOM 957 NH2 ARG A 64 0.539 -6.541 -44.842 1.00 74.42 N ATOM 0 H ARG A 64 -2.635 -7.743 -49.859 1.00 62.05 H new ATOM 0 HA ARG A 64 -2.322 -5.847 -51.979 1.00 51.31 H new ATOM 0 HB2 ARG A 64 -1.305 -4.451 -50.168 1.00 11.31 H new ATOM 0 HB3 ARG A 64 -2.922 -5.035 -49.828 1.00 11.31 H new ATOM 0 HG2 ARG A 64 -1.934 -5.450 -47.802 1.00 31.34 H new ATOM 0 HG3 ARG A 64 -1.640 -6.990 -48.586 1.00 31.34 H new ATOM 0 HD2 ARG A 64 0.652 -6.208 -49.226 1.00 61.25 H new ATOM 0 HD3 ARG A 64 0.354 -4.692 -48.399 1.00 61.25 H new ATOM 0 HE ARG A 64 1.084 -7.210 -47.177 1.00 63.21 H new ATOM 0 HH11 ARG A 64 -0.638 -4.166 -46.671 1.00 70.45 H new ATOM 0 HH12 ARG A 64 -0.639 -4.325 -44.912 1.00 70.45 H new ATOM 0 HH21 ARG A 64 1.030 -7.432 -44.918 1.00 74.42 H new ATOM 0 HH22 ARG A 64 0.301 -6.166 -43.924 1.00 74.42 H new ATOM 971 N SER A 65 0.298 -7.558 -51.044 1.00 10.31 N ATOM 972 CA SER A 65 1.694 -7.867 -51.354 1.00 43.24 C ATOM 973 C SER A 65 1.829 -8.453 -52.762 1.00 30.11 C ATOM 974 O SER A 65 2.936 -8.718 -53.230 1.00 40.21 O ATOM 975 CB SER A 65 2.250 -8.846 -50.314 1.00 13.31 C ATOM 976 OG SER A 65 1.404 -9.974 -50.184 1.00 52.33 O ATOM 0 H SER A 65 -0.136 -8.205 -50.386 1.00 10.31 H new ATOM 0 HA SER A 65 2.269 -6.941 -51.321 1.00 43.24 H new ATOM 0 HB2 SER A 65 3.249 -9.167 -50.608 1.00 13.31 H new ATOM 0 HB3 SER A 65 2.346 -8.345 -49.351 1.00 13.31 H new ATOM 0 HG SER A 65 1.938 -10.757 -49.934 1.00 52.33 H new ATOM 982 N ARG A 66 0.696 -8.643 -53.439 1.00 45.31 N ATOM 983 CA ARG A 66 0.685 -9.194 -54.793 1.00 14.00 C ATOM 984 C ARG A 66 1.123 -8.147 -55.817 1.00 1.23 C ATOM 985 O ARG A 66 1.231 -8.443 -57.009 1.00 33.32 O ATOM 986 CB ARG A 66 -0.715 -9.725 -55.144 1.00 41.14 C ATOM 987 CG ARG A 66 -1.143 -10.932 -54.315 1.00 42.33 C ATOM 988 CD ARG A 66 -0.185 -12.097 -54.503 1.00 1.51 C ATOM 989 NE ARG A 66 -0.577 -13.279 -53.737 1.00 14.23 N ATOM 990 CZ ARG A 66 -0.113 -14.504 -53.977 1.00 13.50 C ATOM 991 NH1 ARG A 66 0.737 -14.715 -54.977 1.00 2.55 N ATOM 992 NH2 ARG A 66 -0.497 -15.515 -53.215 1.00 75.44 N ATOM 0 H ARG A 66 -0.229 -8.422 -53.069 1.00 45.31 H new ATOM 0 HA ARG A 66 1.395 -10.020 -54.825 1.00 14.00 H new ATOM 0 HB2 ARG A 66 -1.442 -8.925 -55.005 1.00 41.14 H new ATOM 0 HB3 ARG A 66 -0.736 -9.995 -56.200 1.00 41.14 H new ATOM 0 HG2 ARG A 66 -1.182 -10.657 -53.261 1.00 42.33 H new ATOM 0 HG3 ARG A 66 -2.149 -11.236 -54.603 1.00 42.33 H new ATOM 0 HD2 ARG A 66 -0.136 -12.355 -55.561 1.00 1.51 H new ATOM 0 HD3 ARG A 66 0.817 -11.790 -54.203 1.00 1.51 H new ATOM 0 HE ARG A 66 -1.244 -13.158 -52.975 1.00 14.23 H new ATOM 0 HH11 ARG A 66 1.037 -13.937 -55.564 1.00 2.55 H new ATOM 0 HH12 ARG A 66 1.090 -15.655 -55.157 1.00 2.55 H new ATOM 0 HH21 ARG A 66 -1.147 -15.355 -52.445 1.00 75.44 H new ATOM 0 HH22 ARG A 66 -0.143 -16.454 -53.397 1.00 75.44 H new ATOM 1006 N GLY A 67 1.356 -6.922 -55.348 1.00 34.51 N ATOM 1007 CA GLY A 67 1.851 -5.858 -56.212 1.00 34.10 C ATOM 1008 C GLY A 67 0.801 -5.339 -57.176 1.00 63.33 C ATOM 1009 O GLY A 67 1.104 -4.543 -58.062 1.00 1.24 O ATOM 0 H GLY A 67 1.210 -6.645 -54.377 1.00 34.51 H new ATOM 0 HA2 GLY A 67 2.209 -5.034 -55.595 1.00 34.10 H new ATOM 0 HA3 GLY A 67 2.706 -6.226 -56.779 1.00 34.10 H new ATOM 1013 N LYS A 68 -0.439 -5.780 -56.997 1.00 75.34 N ATOM 1014 CA LYS A 68 -1.543 -5.348 -57.850 1.00 45.14 C ATOM 1015 C LYS A 68 -2.224 -4.124 -57.227 1.00 23.21 C ATOM 1016 O LYS A 68 -2.899 -4.244 -56.205 1.00 4.34 O ATOM 1017 CB LYS A 68 -2.559 -6.489 -58.032 1.00 40.24 C ATOM 1018 CG LYS A 68 -3.652 -6.194 -59.059 1.00 60.33 C ATOM 1019 CD LYS A 68 -3.083 -6.022 -60.468 1.00 74.22 C ATOM 1020 CE LYS A 68 -4.177 -5.748 -61.493 1.00 64.14 C ATOM 1021 NZ LYS A 68 -3.625 -5.593 -62.863 1.00 71.10 N ATOM 0 H LYS A 68 -0.707 -6.439 -56.266 1.00 75.34 H new ATOM 0 HA LYS A 68 -1.151 -5.079 -58.831 1.00 45.14 H new ATOM 0 HB2 LYS A 68 -2.026 -7.391 -58.333 1.00 40.24 H new ATOM 0 HB3 LYS A 68 -3.027 -6.701 -57.071 1.00 40.24 H new ATOM 0 HG2 LYS A 68 -4.379 -7.006 -59.058 1.00 60.33 H new ATOM 0 HG3 LYS A 68 -4.186 -5.288 -58.770 1.00 60.33 H new ATOM 0 HD2 LYS A 68 -2.367 -5.200 -60.473 1.00 74.22 H new ATOM 0 HD3 LYS A 68 -2.537 -6.922 -60.751 1.00 74.22 H new ATOM 0 HE2 LYS A 68 -4.898 -6.566 -61.482 1.00 64.14 H new ATOM 0 HE3 LYS A 68 -4.717 -4.843 -61.215 1.00 64.14 H new ATOM 0 HZ1 LYS A 68 -4.400 -5.408 -63.531 1.00 71.10 H new ATOM 0 HZ2 LYS A 68 -2.956 -4.797 -62.880 1.00 71.10 H new ATOM 0 HZ3 LYS A 68 -3.131 -6.466 -63.139 1.00 71.10 H new ATOM 1035 N PRO A 69 -2.020 -2.923 -57.801 1.00 1.43 N ATOM 1036 CA PRO A 69 -2.604 -1.681 -57.290 1.00 41.05 C ATOM 1037 C PRO A 69 -4.056 -1.504 -57.732 1.00 63.34 C ATOM 1038 O PRO A 69 -4.407 -1.813 -58.872 1.00 73.21 O ATOM 1039 CB PRO A 69 -1.709 -0.575 -57.899 1.00 65.54 C ATOM 1040 CG PRO A 69 -0.668 -1.286 -58.718 1.00 33.42 C ATOM 1041 CD PRO A 69 -1.207 -2.664 -58.992 1.00 34.41 C ATOM 0 HA PRO A 69 -2.632 -1.662 -56.201 1.00 41.05 H new ATOM 0 HB2 PRO A 69 -2.295 0.104 -58.518 1.00 65.54 H new ATOM 0 HB3 PRO A 69 -1.246 0.026 -57.117 1.00 65.54 H new ATOM 0 HG2 PRO A 69 -0.476 -0.753 -59.649 1.00 33.42 H new ATOM 0 HG3 PRO A 69 0.279 -1.340 -58.180 1.00 33.42 H new ATOM 0 HD2 PRO A 69 -1.802 -2.694 -59.905 1.00 34.41 H new ATOM 0 HD3 PRO A 69 -0.409 -3.397 -59.107 1.00 34.41 H new ATOM 1049 N PHE A 70 -4.895 -1.014 -56.826 1.00 41.12 N ATOM 1050 CA PHE A 70 -6.290 -0.729 -57.141 1.00 52.04 C ATOM 1051 C PHE A 70 -6.479 0.780 -57.209 1.00 55.23 C ATOM 1052 O PHE A 70 -5.858 1.512 -56.445 1.00 31.10 O ATOM 1053 CB PHE A 70 -7.221 -1.343 -56.080 1.00 51.25 C ATOM 1054 CG PHE A 70 -8.691 -1.175 -56.388 1.00 44.01 C ATOM 1055 CD1 PHE A 70 -9.317 -2.001 -57.312 1.00 50.33 C ATOM 1056 CD2 PHE A 70 -9.445 -0.195 -55.755 1.00 54.02 C ATOM 1057 CE1 PHE A 70 -10.661 -1.852 -57.599 1.00 71.23 C ATOM 1058 CE2 PHE A 70 -10.790 -0.044 -56.040 1.00 42.20 C ATOM 1059 CZ PHE A 70 -11.398 -0.874 -56.962 1.00 20.44 C ATOM 0 H PHE A 70 -4.631 -0.805 -55.863 1.00 41.12 H new ATOM 0 HA PHE A 70 -6.545 -1.173 -58.103 1.00 52.04 H new ATOM 0 HB2 PHE A 70 -6.998 -2.406 -55.986 1.00 51.25 H new ATOM 0 HB3 PHE A 70 -7.007 -0.886 -55.114 1.00 51.25 H new ATOM 0 HD1 PHE A 70 -8.747 -2.769 -57.813 1.00 50.33 H new ATOM 0 HD2 PHE A 70 -8.976 0.456 -55.032 1.00 54.02 H new ATOM 0 HE1 PHE A 70 -11.134 -2.501 -58.321 1.00 71.23 H new ATOM 0 HE2 PHE A 70 -11.365 0.723 -55.542 1.00 42.20 H new ATOM 0 HZ PHE A 70 -12.449 -0.758 -57.184 1.00 20.44 H new ATOM 1069 N GLN A 71 -7.310 1.249 -58.130 1.00 45.33 N ATOM 1070 CA GLN A 71 -7.556 2.682 -58.279 1.00 52.35 C ATOM 1071 C GLN A 71 -9.048 2.950 -58.426 1.00 12.44 C ATOM 1072 O GLN A 71 -9.748 2.219 -59.131 1.00 73.44 O ATOM 1073 CB GLN A 71 -6.801 3.239 -59.495 1.00 41.45 C ATOM 1074 CG GLN A 71 -5.285 3.096 -59.404 1.00 24.22 C ATOM 1075 CD GLN A 71 -4.567 3.759 -60.562 1.00 52.53 C ATOM 1076 OE1 GLN A 71 -4.327 3.140 -61.600 1.00 33.44 O ATOM 1077 NE2 GLN A 71 -4.216 5.024 -60.391 1.00 75.03 N ATOM 0 H GLN A 71 -7.826 0.662 -58.785 1.00 45.33 H new ATOM 0 HA GLN A 71 -7.192 3.185 -57.383 1.00 52.35 H new ATOM 0 HB2 GLN A 71 -7.151 2.728 -60.392 1.00 41.45 H new ATOM 0 HB3 GLN A 71 -7.050 4.294 -59.612 1.00 41.45 H new ATOM 0 HG2 GLN A 71 -4.938 3.533 -58.468 1.00 24.22 H new ATOM 0 HG3 GLN A 71 -5.024 2.038 -59.377 1.00 24.22 H new ATOM 0 HE21 GLN A 71 -4.434 5.500 -59.516 1.00 75.03 H new ATOM 0 HE22 GLN A 71 -3.728 5.523 -61.135 1.00 75.03 H new ATOM 1086 N PHE A 72 -9.537 3.994 -57.764 1.00 73.33 N ATOM 1087 CA PHE A 72 -10.957 4.346 -57.841 1.00 2.55 C ATOM 1088 C PHE A 72 -11.172 5.801 -57.446 1.00 20.34 C ATOM 1089 O PHE A 72 -10.287 6.425 -56.868 1.00 61.22 O ATOM 1090 CB PHE A 72 -11.796 3.423 -56.941 1.00 25.13 C ATOM 1091 CG PHE A 72 -11.638 3.681 -55.458 1.00 43.44 C ATOM 1092 CD1 PHE A 72 -10.489 3.293 -54.782 1.00 1.40 C ATOM 1093 CD2 PHE A 72 -12.650 4.304 -54.738 1.00 73.40 C ATOM 1094 CE1 PHE A 72 -10.354 3.523 -53.424 1.00 5.31 C ATOM 1095 CE2 PHE A 72 -12.517 4.538 -53.383 1.00 1.11 C ATOM 1096 CZ PHE A 72 -11.368 4.147 -52.726 1.00 32.03 C ATOM 0 H PHE A 72 -8.979 4.609 -57.172 1.00 73.33 H new ATOM 0 HA PHE A 72 -11.282 4.214 -58.873 1.00 2.55 H new ATOM 0 HB2 PHE A 72 -12.847 3.535 -57.207 1.00 25.13 H new ATOM 0 HB3 PHE A 72 -11.523 2.388 -57.148 1.00 25.13 H new ATOM 0 HD1 PHE A 72 -9.691 2.806 -55.322 1.00 1.40 H new ATOM 0 HD2 PHE A 72 -13.553 4.610 -55.245 1.00 73.40 H new ATOM 0 HE1 PHE A 72 -9.455 3.214 -52.911 1.00 5.31 H new ATOM 0 HE2 PHE A 72 -13.311 5.026 -52.838 1.00 1.11 H new ATOM 0 HZ PHE A 72 -11.262 4.329 -51.667 1.00 32.03 H new ATOM 1106 N THR A 73 -12.340 6.336 -57.776 1.00 51.11 N ATOM 1107 CA THR A 73 -12.706 7.686 -57.377 1.00 1.20 C ATOM 1108 C THR A 73 -13.152 7.692 -55.913 1.00 62.13 C ATOM 1109 O THR A 73 -14.186 7.111 -55.572 1.00 74.23 O ATOM 1110 CB THR A 73 -13.838 8.243 -58.269 1.00 52.41 C ATOM 1111 OG1 THR A 73 -13.462 8.135 -59.650 1.00 54.54 O ATOM 1112 CG2 THR A 73 -14.143 9.700 -57.932 1.00 75.20 C ATOM 0 H THR A 73 -13.053 5.852 -58.322 1.00 51.11 H new ATOM 0 HA THR A 73 -11.831 8.325 -57.496 1.00 1.20 H new ATOM 0 HB THR A 73 -14.737 7.656 -58.083 1.00 52.41 H new ATOM 0 HG1 THR A 73 -14.182 8.487 -60.214 1.00 54.54 H new ATOM 0 HG21 THR A 73 -14.944 10.063 -58.577 1.00 75.20 H new ATOM 0 HG22 THR A 73 -14.454 9.775 -56.890 1.00 75.20 H new ATOM 0 HG23 THR A 73 -13.249 10.304 -58.088 1.00 75.20 H new ATOM 1120 N LEU A 74 -12.349 8.313 -55.052 1.00 41.42 N ATOM 1121 CA LEU A 74 -12.646 8.375 -53.622 1.00 2.01 C ATOM 1122 C LEU A 74 -13.970 9.100 -53.374 1.00 50.22 C ATOM 1123 O LEU A 74 -14.294 10.068 -54.064 1.00 44.43 O ATOM 1124 CB LEU A 74 -11.505 9.080 -52.873 1.00 4.02 C ATOM 1125 CG LEU A 74 -11.647 9.130 -51.343 1.00 75.13 C ATOM 1126 CD1 LEU A 74 -11.685 7.720 -50.757 1.00 51.31 C ATOM 1127 CD2 LEU A 74 -10.511 9.940 -50.723 1.00 40.31 C ATOM 0 H LEU A 74 -11.484 8.782 -55.321 1.00 41.42 H new ATOM 0 HA LEU A 74 -12.738 7.356 -53.246 1.00 2.01 H new ATOM 0 HB2 LEU A 74 -10.569 8.578 -53.117 1.00 4.02 H new ATOM 0 HB3 LEU A 74 -11.425 10.101 -53.246 1.00 4.02 H new ATOM 0 HG LEU A 74 -12.589 9.624 -51.104 1.00 75.13 H new ATOM 0 HD11 LEU A 74 -11.786 7.779 -49.673 1.00 51.31 H new ATOM 0 HD12 LEU A 74 -12.534 7.177 -51.171 1.00 51.31 H new ATOM 0 HD13 LEU A 74 -10.762 7.197 -51.008 1.00 51.31 H new ATOM 0 HD21 LEU A 74 -10.630 9.963 -49.640 1.00 40.31 H new ATOM 0 HD22 LEU A 74 -9.556 9.478 -50.973 1.00 40.31 H new ATOM 0 HD23 LEU A 74 -10.535 10.958 -51.113 1.00 40.31 H new ATOM 1139 N GLY A 75 -14.731 8.625 -52.393 1.00 21.12 N ATOM 1140 CA GLY A 75 -16.007 9.232 -52.072 1.00 51.53 C ATOM 1141 C GLY A 75 -17.097 8.796 -53.026 1.00 33.31 C ATOM 1142 O GLY A 75 -18.044 9.542 -53.288 1.00 41.10 O ATOM 0 H GLY A 75 -14.483 7.824 -51.812 1.00 21.12 H new ATOM 0 HA2 GLY A 75 -16.289 8.966 -51.053 1.00 51.53 H new ATOM 0 HA3 GLY A 75 -15.910 10.317 -52.103 1.00 51.53 H new ATOM 1146 N ALA A 76 -16.973 7.578 -53.539 1.00 23.41 N ATOM 1147 CA ALA A 76 -17.932 7.040 -54.496 1.00 10.02 C ATOM 1148 C ALA A 76 -18.224 5.574 -54.189 1.00 2.44 C ATOM 1149 O ALA A 76 -17.438 4.909 -53.509 1.00 74.43 O ATOM 1150 CB ALA A 76 -17.412 7.193 -55.923 1.00 13.12 C ATOM 0 H ALA A 76 -16.212 6.940 -53.306 1.00 23.41 H new ATOM 0 HA ALA A 76 -18.860 7.605 -54.407 1.00 10.02 H new ATOM 0 HB1 ALA A 76 -18.142 6.785 -56.622 1.00 13.12 H new ATOM 0 HB2 ALA A 76 -17.252 8.249 -56.141 1.00 13.12 H new ATOM 0 HB3 ALA A 76 -16.470 6.654 -56.027 1.00 13.12 H new ATOM 1156 N GLY A 77 -19.343 5.073 -54.706 1.00 45.30 N ATOM 1157 CA GLY A 77 -19.752 3.698 -54.455 1.00 54.35 C ATOM 1158 C GLY A 77 -18.988 2.684 -55.295 1.00 33.32 C ATOM 1159 O GLY A 77 -19.579 1.747 -55.844 1.00 54.41 O ATOM 0 H GLY A 77 -19.981 5.601 -55.301 1.00 45.30 H new ATOM 0 HA2 GLY A 77 -19.607 3.469 -53.399 1.00 54.35 H new ATOM 0 HA3 GLY A 77 -20.818 3.600 -54.659 1.00 54.35 H new ATOM 1163 N GLU A 78 -17.680 2.876 -55.412 1.00 32.55 N ATOM 1164 CA GLU A 78 -16.821 1.925 -56.104 1.00 75.44 C ATOM 1165 C GLU A 78 -16.581 0.724 -55.198 1.00 54.02 C ATOM 1166 O GLU A 78 -16.724 -0.428 -55.613 1.00 2.52 O ATOM 1167 CB GLU A 78 -15.487 2.581 -56.486 1.00 2.50 C ATOM 1168 CG GLU A 78 -15.630 3.761 -57.440 1.00 4.04 C ATOM 1169 CD GLU A 78 -16.267 3.371 -58.766 1.00 63.04 C ATOM 1170 OE1 GLU A 78 -15.597 2.698 -59.581 1.00 1.53 O ATOM 1171 OE2 GLU A 78 -17.444 3.723 -58.996 1.00 75.43 O ATOM 0 H GLU A 78 -17.189 3.686 -55.034 1.00 32.55 H new ATOM 0 HA GLU A 78 -17.310 1.598 -57.022 1.00 75.44 H new ATOM 0 HB2 GLU A 78 -14.986 2.919 -55.579 1.00 2.50 H new ATOM 0 HB3 GLU A 78 -14.843 1.831 -56.945 1.00 2.50 H new ATOM 0 HG2 GLU A 78 -16.233 4.535 -56.966 1.00 4.04 H new ATOM 0 HG3 GLU A 78 -14.647 4.193 -57.627 1.00 4.04 H new ATOM 1178 N VAL A 79 -16.241 1.017 -53.948 1.00 13.45 N ATOM 1179 CA VAL A 79 -16.035 0.001 -52.924 1.00 1.34 C ATOM 1180 C VAL A 79 -16.988 0.261 -51.763 1.00 20.50 C ATOM 1181 O VAL A 79 -17.711 1.259 -51.770 1.00 12.22 O ATOM 1182 CB VAL A 79 -14.571 -0.001 -52.405 1.00 22.51 C ATOM 1183 CG1 VAL A 79 -13.593 -0.348 -53.529 1.00 2.53 C ATOM 1184 CG2 VAL A 79 -14.219 1.346 -51.768 1.00 32.01 C ATOM 0 H VAL A 79 -16.100 1.971 -53.615 1.00 13.45 H new ATOM 0 HA VAL A 79 -16.233 -0.975 -53.367 1.00 1.34 H new ATOM 0 HB VAL A 79 -14.485 -0.770 -51.638 1.00 22.51 H new ATOM 0 HG11 VAL A 79 -12.575 -0.343 -53.140 1.00 2.53 H new ATOM 0 HG12 VAL A 79 -13.826 -1.338 -53.922 1.00 2.53 H new ATOM 0 HG13 VAL A 79 -13.680 0.389 -54.327 1.00 2.53 H new ATOM 0 HG21 VAL A 79 -13.189 1.322 -51.412 1.00 32.01 H new ATOM 0 HG22 VAL A 79 -14.328 2.138 -52.509 1.00 32.01 H new ATOM 0 HG23 VAL A 79 -14.889 1.538 -50.930 1.00 32.01 H new ATOM 1194 N ILE A 80 -17.001 -0.628 -50.773 1.00 75.42 N ATOM 1195 CA ILE A 80 -17.820 -0.413 -49.584 1.00 23.41 C ATOM 1196 C ILE A 80 -17.322 0.819 -48.824 1.00 60.52 C ATOM 1197 O ILE A 80 -16.113 1.084 -48.776 1.00 13.14 O ATOM 1198 CB ILE A 80 -17.830 -1.646 -48.640 1.00 73.33 C ATOM 1199 CG1 ILE A 80 -16.410 -1.968 -48.142 1.00 72.25 C ATOM 1200 CG2 ILE A 80 -18.445 -2.855 -49.349 1.00 24.01 C ATOM 1201 CD1 ILE A 80 -16.348 -3.120 -47.157 1.00 43.25 C ATOM 0 H ILE A 80 -16.461 -1.493 -50.769 1.00 75.42 H new ATOM 0 HA ILE A 80 -18.844 -0.254 -49.921 1.00 23.41 H new ATOM 0 HB ILE A 80 -18.443 -1.407 -47.771 1.00 73.33 H new ATOM 0 HG12 ILE A 80 -15.780 -2.203 -49.000 1.00 72.25 H new ATOM 0 HG13 ILE A 80 -15.990 -1.079 -47.672 1.00 72.25 H new ATOM 0 HG21 ILE A 80 -18.445 -3.711 -48.674 1.00 24.01 H new ATOM 0 HG22 ILE A 80 -19.469 -2.623 -49.641 1.00 24.01 H new ATOM 0 HG23 ILE A 80 -17.859 -3.093 -50.237 1.00 24.01 H new ATOM 0 HD11 ILE A 80 -15.314 -3.284 -46.854 1.00 43.25 H new ATOM 0 HD12 ILE A 80 -16.950 -2.882 -46.280 1.00 43.25 H new ATOM 0 HD13 ILE A 80 -16.736 -4.023 -47.628 1.00 43.25 H new ATOM 1213 N LYS A 81 -18.254 1.563 -48.230 1.00 23.20 N ATOM 1214 CA LYS A 81 -17.929 2.810 -47.537 1.00 11.25 C ATOM 1215 C LYS A 81 -16.927 2.536 -46.411 1.00 2.21 C ATOM 1216 O LYS A 81 -16.208 3.432 -45.980 1.00 14.32 O ATOM 1217 CB LYS A 81 -19.215 3.473 -46.992 1.00 0.11 C ATOM 1218 CG LYS A 81 -19.218 5.007 -47.043 1.00 41.11 C ATOM 1219 CD LYS A 81 -18.158 5.630 -46.134 1.00 62.14 C ATOM 1220 CE LYS A 81 -18.135 7.152 -46.239 1.00 73.31 C ATOM 1221 NZ LYS A 81 -17.872 7.611 -47.628 1.00 30.33 N ATOM 0 H LYS A 81 -19.245 1.323 -48.215 1.00 23.20 H new ATOM 0 HA LYS A 81 -17.469 3.502 -48.243 1.00 11.25 H new ATOM 0 HB2 LYS A 81 -20.068 3.103 -47.561 1.00 0.11 H new ATOM 0 HB3 LYS A 81 -19.360 3.157 -45.959 1.00 0.11 H new ATOM 0 HG2 LYS A 81 -19.047 5.333 -48.069 1.00 41.11 H new ATOM 0 HG3 LYS A 81 -20.202 5.374 -46.751 1.00 41.11 H new ATOM 0 HD2 LYS A 81 -18.352 5.341 -45.101 1.00 62.14 H new ATOM 0 HD3 LYS A 81 -17.177 5.234 -46.397 1.00 62.14 H new ATOM 0 HE2 LYS A 81 -19.090 7.553 -45.899 1.00 73.31 H new ATOM 0 HE3 LYS A 81 -17.368 7.550 -45.575 1.00 73.31 H new ATOM 0 HZ1 LYS A 81 -17.597 8.614 -47.616 1.00 30.33 H new ATOM 0 HZ2 LYS A 81 -17.102 7.046 -48.040 1.00 30.33 H new ATOM 0 HZ3 LYS A 81 -18.732 7.495 -48.201 1.00 30.33 H new ATOM 1235 N GLY A 82 -16.884 1.289 -45.947 1.00 34.43 N ATOM 1236 CA GLY A 82 -15.898 0.895 -44.953 1.00 31.53 C ATOM 1237 C GLY A 82 -14.476 1.086 -45.461 1.00 11.44 C ATOM 1238 O GLY A 82 -13.656 1.747 -44.818 1.00 11.05 O ATOM 0 H GLY A 82 -17.515 0.544 -46.242 1.00 34.43 H new ATOM 0 HA2 GLY A 82 -16.042 1.482 -44.046 1.00 31.53 H new ATOM 0 HA3 GLY A 82 -16.051 -0.150 -44.684 1.00 31.53 H new ATOM 1242 N TRP A 83 -14.192 0.523 -46.635 1.00 20.04 N ATOM 1243 CA TRP A 83 -12.875 0.657 -47.254 1.00 54.32 C ATOM 1244 C TRP A 83 -12.637 2.102 -47.672 1.00 71.34 C ATOM 1245 O TRP A 83 -11.547 2.644 -47.476 1.00 52.20 O ATOM 1246 CB TRP A 83 -12.746 -0.271 -48.470 1.00 1.15 C ATOM 1247 CG TRP A 83 -12.741 -1.733 -48.126 1.00 60.24 C ATOM 1248 CD1 TRP A 83 -12.457 -2.293 -46.911 1.00 62.11 C ATOM 1249 CD2 TRP A 83 -13.011 -2.824 -49.015 1.00 23.23 C ATOM 1250 NE1 TRP A 83 -12.554 -3.659 -46.989 1.00 5.04 N ATOM 1251 CE2 TRP A 83 -12.889 -4.011 -48.268 1.00 4.34 C ATOM 1252 CE3 TRP A 83 -13.353 -2.913 -50.369 1.00 42.12 C ATOM 1253 CZ2 TRP A 83 -13.093 -5.268 -48.829 1.00 13.44 C ATOM 1254 CZ3 TRP A 83 -13.555 -4.162 -50.925 1.00 3.14 C ATOM 1255 CH2 TRP A 83 -13.426 -5.325 -50.156 1.00 54.32 C ATOM 0 H TRP A 83 -14.857 -0.030 -47.176 1.00 20.04 H new ATOM 0 HA TRP A 83 -12.122 0.369 -46.521 1.00 54.32 H new ATOM 0 HB2 TRP A 83 -13.571 -0.072 -49.155 1.00 1.15 H new ATOM 0 HB3 TRP A 83 -11.825 -0.030 -49.002 1.00 1.15 H new ATOM 0 HD1 TRP A 83 -12.195 -1.741 -46.021 1.00 62.11 H new ATOM 0 HE1 TRP A 83 -12.401 -4.308 -46.217 1.00 5.04 H new ATOM 0 HE3 TRP A 83 -13.457 -2.021 -50.969 1.00 42.12 H new ATOM 0 HZ2 TRP A 83 -12.992 -6.167 -48.239 1.00 13.44 H new ATOM 0 HZ3 TRP A 83 -13.817 -4.242 -51.970 1.00 3.14 H new ATOM 0 HH2 TRP A 83 -13.593 -6.286 -50.619 1.00 54.32 H new ATOM 1266 N ASP A 84 -13.675 2.717 -48.234 1.00 72.43 N ATOM 1267 CA ASP A 84 -13.628 4.125 -48.630 1.00 32.24 C ATOM 1268 C ASP A 84 -13.213 4.996 -47.441 1.00 32.32 C ATOM 1269 O ASP A 84 -12.342 5.858 -47.556 1.00 11.55 O ATOM 1270 CB ASP A 84 -15.001 4.563 -49.161 1.00 51.14 C ATOM 1271 CG ASP A 84 -15.080 6.053 -49.474 1.00 24.20 C ATOM 1272 OD1 ASP A 84 -14.782 6.445 -50.618 1.00 41.55 O ATOM 1273 OD2 ASP A 84 -15.464 6.835 -48.574 1.00 3.24 O ATOM 0 H ASP A 84 -14.566 2.259 -48.427 1.00 72.43 H new ATOM 0 HA ASP A 84 -12.889 4.247 -49.422 1.00 32.24 H new ATOM 0 HB2 ASP A 84 -15.231 3.997 -50.063 1.00 51.14 H new ATOM 0 HB3 ASP A 84 -15.764 4.313 -48.424 1.00 51.14 H new ATOM 1278 N GLN A 85 -13.825 4.731 -46.290 1.00 53.44 N ATOM 1279 CA GLN A 85 -13.520 5.454 -45.063 1.00 73.31 C ATOM 1280 C GLN A 85 -12.079 5.189 -44.636 1.00 50.41 C ATOM 1281 O GLN A 85 -11.346 6.115 -44.282 1.00 43.23 O ATOM 1282 CB GLN A 85 -14.493 5.033 -43.952 1.00 11.22 C ATOM 1283 CG GLN A 85 -14.224 5.691 -42.603 1.00 25.14 C ATOM 1284 CD GLN A 85 -15.239 5.287 -41.544 1.00 22.14 C ATOM 1285 OE1 GLN A 85 -15.057 4.302 -40.831 1.00 20.15 O ATOM 1286 NE2 GLN A 85 -16.317 6.046 -41.437 1.00 2.41 N ATOM 0 H GLN A 85 -14.542 4.013 -46.184 1.00 53.44 H new ATOM 0 HA GLN A 85 -13.635 6.523 -45.245 1.00 73.31 H new ATOM 0 HB2 GLN A 85 -15.509 5.273 -44.264 1.00 11.22 H new ATOM 0 HB3 GLN A 85 -14.444 3.951 -43.832 1.00 11.22 H new ATOM 0 HG2 GLN A 85 -13.224 5.422 -42.264 1.00 25.14 H new ATOM 0 HG3 GLN A 85 -14.239 6.774 -42.722 1.00 25.14 H new ATOM 0 HE21 GLN A 85 -16.433 6.856 -42.046 1.00 2.41 H new ATOM 0 HE22 GLN A 85 -17.032 5.822 -40.745 1.00 2.41 H new ATOM 1295 N GLY A 86 -11.682 3.919 -44.697 1.00 70.40 N ATOM 1296 CA GLY A 86 -10.336 3.530 -44.319 1.00 62.34 C ATOM 1297 C GLY A 86 -9.266 4.303 -45.071 1.00 13.43 C ATOM 1298 O GLY A 86 -8.340 4.842 -44.467 1.00 1.43 O ATOM 0 H GLY A 86 -12.275 3.148 -45.004 1.00 70.40 H new ATOM 0 HA2 GLY A 86 -10.205 3.686 -43.248 1.00 62.34 H new ATOM 0 HA3 GLY A 86 -10.205 2.464 -44.504 1.00 62.34 H new ATOM 1302 N VAL A 87 -9.398 4.361 -46.394 1.00 54.13 N ATOM 1303 CA VAL A 87 -8.427 5.062 -47.229 1.00 50.24 C ATOM 1304 C VAL A 87 -8.602 6.585 -47.136 1.00 54.40 C ATOM 1305 O VAL A 87 -7.633 7.334 -47.262 1.00 10.11 O ATOM 1306 CB VAL A 87 -8.508 4.606 -48.710 1.00 55.44 C ATOM 1307 CG1 VAL A 87 -8.208 3.112 -48.827 1.00 34.31 C ATOM 1308 CG2 VAL A 87 -9.870 4.933 -49.317 1.00 62.31 C ATOM 0 H VAL A 87 -10.166 3.932 -46.910 1.00 54.13 H new ATOM 0 HA VAL A 87 -7.440 4.803 -46.847 1.00 50.24 H new ATOM 0 HB VAL A 87 -7.754 5.156 -49.273 1.00 55.44 H new ATOM 0 HG11 VAL A 87 -8.269 2.809 -49.872 1.00 34.31 H new ATOM 0 HG12 VAL A 87 -7.205 2.912 -48.449 1.00 34.31 H new ATOM 0 HG13 VAL A 87 -8.935 2.548 -48.243 1.00 34.31 H new ATOM 0 HG21 VAL A 87 -9.895 4.601 -50.355 1.00 62.31 H new ATOM 0 HG22 VAL A 87 -10.651 4.422 -48.754 1.00 62.31 H new ATOM 0 HG23 VAL A 87 -10.038 6.009 -49.276 1.00 62.31 H new ATOM 1318 N ALA A 88 -9.831 7.039 -46.906 1.00 43.42 N ATOM 1319 CA ALA A 88 -10.120 8.474 -46.827 1.00 63.54 C ATOM 1320 C ALA A 88 -9.587 9.086 -45.529 1.00 61.41 C ATOM 1321 O ALA A 88 -9.220 10.266 -45.497 1.00 62.12 O ATOM 1322 CB ALA A 88 -11.621 8.723 -46.947 1.00 72.34 C ATOM 0 H ALA A 88 -10.644 6.438 -46.771 1.00 43.42 H new ATOM 0 HA ALA A 88 -9.610 8.958 -47.660 1.00 63.54 H new ATOM 0 HB1 ALA A 88 -11.818 9.793 -46.886 1.00 72.34 H new ATOM 0 HB2 ALA A 88 -11.978 8.342 -47.904 1.00 72.34 H new ATOM 0 HB3 ALA A 88 -12.141 8.212 -46.137 1.00 72.34 H new ATOM 1328 N THR A 89 -9.541 8.284 -44.468 1.00 71.10 N ATOM 1329 CA THR A 89 -9.141 8.773 -43.147 1.00 21.14 C ATOM 1330 C THR A 89 -7.616 8.850 -43.009 1.00 72.32 C ATOM 1331 O THR A 89 -7.097 9.324 -41.992 1.00 61.43 O ATOM 1332 CB THR A 89 -9.730 7.888 -42.012 1.00 10.23 C ATOM 1333 OG1 THR A 89 -9.504 8.502 -40.734 1.00 70.41 O ATOM 1334 CG2 THR A 89 -9.117 6.492 -42.013 1.00 23.35 C ATOM 0 H THR A 89 -9.776 7.292 -44.495 1.00 71.10 H new ATOM 0 HA THR A 89 -9.546 9.780 -43.050 1.00 21.14 H new ATOM 0 HB THR A 89 -10.801 7.795 -42.194 1.00 10.23 H new ATOM 0 HG1 THR A 89 -8.697 9.057 -40.776 1.00 70.41 H new ATOM 0 HG21 THR A 89 -9.553 5.903 -41.206 1.00 23.35 H new ATOM 0 HG22 THR A 89 -9.320 6.006 -42.968 1.00 23.35 H new ATOM 0 HG23 THR A 89 -8.040 6.568 -41.866 1.00 23.35 H new ATOM 1342 N MET A 90 -6.899 8.397 -44.034 1.00 23.21 N ATOM 1343 CA MET A 90 -5.434 8.417 -44.020 1.00 52.35 C ATOM 1344 C MET A 90 -4.896 9.409 -45.047 1.00 34.44 C ATOM 1345 O MET A 90 -5.662 10.117 -45.705 1.00 64.34 O ATOM 1346 CB MET A 90 -4.865 7.016 -44.294 1.00 2.44 C ATOM 1347 CG MET A 90 -5.212 6.456 -45.667 1.00 20.52 C ATOM 1348 SD MET A 90 -4.364 4.902 -46.022 1.00 33.02 S ATOM 1349 CE MET A 90 -4.800 3.942 -44.580 1.00 71.33 C ATOM 0 H MET A 90 -7.306 8.011 -44.886 1.00 23.21 H new ATOM 0 HA MET A 90 -5.115 8.734 -43.027 1.00 52.35 H new ATOM 0 HB2 MET A 90 -3.780 7.051 -44.192 1.00 2.44 H new ATOM 0 HB3 MET A 90 -5.235 6.331 -43.531 1.00 2.44 H new ATOM 0 HG2 MET A 90 -6.289 6.300 -45.729 1.00 20.52 H new ATOM 0 HG3 MET A 90 -4.952 7.189 -46.430 1.00 20.52 H new ATOM 0 HE1 MET A 90 -4.334 2.958 -44.643 1.00 71.33 H new ATOM 0 HE2 MET A 90 -4.449 4.453 -43.683 1.00 71.33 H new ATOM 0 HE3 MET A 90 -5.883 3.828 -44.532 1.00 71.33 H new ATOM 1359 N THR A 91 -3.571 9.463 -45.173 1.00 54.53 N ATOM 1360 CA THR A 91 -2.916 10.333 -46.145 1.00 60.53 C ATOM 1361 C THR A 91 -2.053 9.510 -47.103 1.00 4.54 C ATOM 1362 O THR A 91 -1.933 8.292 -46.949 1.00 62.15 O ATOM 1363 CB THR A 91 -2.055 11.410 -45.442 1.00 2.34 C ATOM 1364 OG1 THR A 91 -1.172 10.797 -44.488 1.00 75.53 O ATOM 1365 CG2 THR A 91 -2.934 12.440 -44.738 1.00 54.53 C ATOM 0 H THR A 91 -2.927 8.909 -44.609 1.00 54.53 H new ATOM 0 HA THR A 91 -3.693 10.840 -46.716 1.00 60.53 H new ATOM 0 HB THR A 91 -1.466 11.919 -46.205 1.00 2.34 H new ATOM 0 HG1 THR A 91 -1.461 11.027 -43.580 1.00 75.53 H new ATOM 0 HG21 THR A 91 -2.304 13.185 -44.252 1.00 54.53 H new ATOM 0 HG22 THR A 91 -3.577 12.930 -45.469 1.00 54.53 H new ATOM 0 HG23 THR A 91 -3.550 11.942 -43.989 1.00 54.53 H new ATOM 1373 N LEU A 92 -1.459 10.175 -48.092 1.00 74.01 N ATOM 1374 CA LEU A 92 -0.674 9.495 -49.117 1.00 25.41 C ATOM 1375 C LEU A 92 0.539 8.792 -48.494 1.00 32.24 C ATOM 1376 O LEU A 92 1.325 9.407 -47.760 1.00 31.23 O ATOM 1377 CB LEU A 92 -0.238 10.509 -50.191 1.00 14.43 C ATOM 1378 CG LEU A 92 0.268 9.928 -51.529 1.00 74.12 C ATOM 1379 CD1 LEU A 92 0.261 11.001 -52.617 1.00 1.01 C ATOM 1380 CD2 LEU A 92 1.671 9.334 -51.392 1.00 24.41 C ATOM 0 H LEU A 92 -1.508 11.188 -48.204 1.00 74.01 H new ATOM 0 HA LEU A 92 -1.290 8.730 -49.589 1.00 25.41 H new ATOM 0 HB2 LEU A 92 -1.083 11.165 -50.403 1.00 14.43 H new ATOM 0 HB3 LEU A 92 0.551 11.132 -49.770 1.00 14.43 H new ATOM 0 HG LEU A 92 -0.412 9.125 -51.813 1.00 74.12 H new ATOM 0 HD11 LEU A 92 0.621 10.573 -53.553 1.00 1.01 H new ATOM 0 HD12 LEU A 92 -0.754 11.373 -52.755 1.00 1.01 H new ATOM 0 HD13 LEU A 92 0.912 11.824 -52.321 1.00 1.01 H new ATOM 0 HD21 LEU A 92 1.993 8.935 -52.354 1.00 24.41 H new ATOM 0 HD22 LEU A 92 2.365 10.111 -51.071 1.00 24.41 H new ATOM 0 HD23 LEU A 92 1.656 8.532 -50.654 1.00 24.41 H new ATOM 1392 N GLY A 93 0.670 7.497 -48.788 1.00 34.21 N ATOM 1393 CA GLY A 93 1.804 6.720 -48.325 1.00 5.55 C ATOM 1394 C GLY A 93 1.559 6.070 -46.979 1.00 72.25 C ATOM 1395 O GLY A 93 2.484 5.530 -46.369 1.00 64.11 O ATOM 0 H GLY A 93 -0.001 6.970 -49.347 1.00 34.21 H new ATOM 0 HA2 GLY A 93 2.034 5.948 -49.060 1.00 5.55 H new ATOM 0 HA3 GLY A 93 2.679 7.367 -48.257 1.00 5.55 H new ATOM 1399 N GLU A 94 0.316 6.119 -46.511 1.00 71.34 N ATOM 1400 CA GLU A 94 -0.034 5.570 -45.207 1.00 13.03 C ATOM 1401 C GLU A 94 -0.661 4.184 -45.345 1.00 35.11 C ATOM 1402 O GLU A 94 -1.395 3.913 -46.296 1.00 11.33 O ATOM 1403 CB GLU A 94 -0.984 6.529 -44.474 1.00 33.44 C ATOM 1404 CG GLU A 94 -1.290 6.124 -43.033 1.00 42.11 C ATOM 1405 CD GLU A 94 -1.709 7.303 -42.170 1.00 1.35 C ATOM 1406 OE1 GLU A 94 -0.837 8.124 -41.830 1.00 22.02 O ATOM 1407 OE2 GLU A 94 -2.903 7.421 -41.829 1.00 1.51 O ATOM 0 H GLU A 94 -0.466 6.534 -47.017 1.00 71.34 H new ATOM 0 HA GLU A 94 0.878 5.462 -44.620 1.00 13.03 H new ATOM 0 HB2 GLU A 94 -0.547 7.527 -44.474 1.00 33.44 H new ATOM 0 HB3 GLU A 94 -1.920 6.591 -45.029 1.00 33.44 H new ATOM 0 HG2 GLU A 94 -2.083 5.377 -43.030 1.00 42.11 H new ATOM 0 HG3 GLU A 94 -0.408 5.654 -42.597 1.00 42.11 H new ATOM 1414 N LYS A 95 -0.349 3.312 -44.392 1.00 63.35 N ATOM 1415 CA LYS A 95 -0.898 1.962 -44.349 1.00 74.54 C ATOM 1416 C LYS A 95 -1.424 1.682 -42.946 1.00 2.34 C ATOM 1417 O LYS A 95 -0.670 1.731 -41.965 1.00 24.43 O ATOM 1418 CB LYS A 95 0.170 0.927 -44.733 1.00 62.30 C ATOM 1419 CG LYS A 95 -0.357 -0.505 -44.802 1.00 64.33 C ATOM 1420 CD LYS A 95 0.744 -1.501 -45.154 1.00 65.41 C ATOM 1421 CE LYS A 95 1.767 -1.649 -44.031 1.00 1.24 C ATOM 1422 NZ LYS A 95 1.154 -2.196 -42.788 1.00 21.52 N ATOM 0 H LYS A 95 0.292 3.522 -43.627 1.00 63.35 H new ATOM 0 HA LYS A 95 -1.713 1.885 -45.068 1.00 74.54 H new ATOM 0 HB2 LYS A 95 0.592 1.196 -45.701 1.00 62.30 H new ATOM 0 HB3 LYS A 95 0.983 0.971 -44.008 1.00 62.30 H new ATOM 0 HG2 LYS A 95 -0.798 -0.776 -43.843 1.00 64.33 H new ATOM 0 HG3 LYS A 95 -1.151 -0.564 -45.546 1.00 64.33 H new ATOM 0 HD2 LYS A 95 0.298 -2.472 -45.368 1.00 65.41 H new ATOM 0 HD3 LYS A 95 1.249 -1.175 -46.063 1.00 65.41 H new ATOM 0 HE2 LYS A 95 2.572 -2.307 -44.358 1.00 1.24 H new ATOM 0 HE3 LYS A 95 2.215 -0.678 -43.818 1.00 1.24 H new ATOM 0 HZ1 LYS A 95 1.901 -2.408 -42.097 1.00 21.52 H new ATOM 0 HZ2 LYS A 95 0.499 -1.495 -42.386 1.00 21.52 H new ATOM 0 HZ3 LYS A 95 0.633 -3.067 -43.012 1.00 21.52 H new ATOM 1436 N ALA A 96 -2.713 1.396 -42.847 1.00 20.50 N ATOM 1437 CA ALA A 96 -3.360 1.193 -41.559 1.00 55.24 C ATOM 1438 C ALA A 96 -4.122 -0.121 -41.525 1.00 22.35 C ATOM 1439 O ALA A 96 -4.657 -0.577 -42.537 1.00 52.31 O ATOM 1440 CB ALA A 96 -4.295 2.357 -41.251 1.00 14.21 C ATOM 0 H ALA A 96 -3.336 1.299 -43.649 1.00 20.50 H new ATOM 0 HA ALA A 96 -2.584 1.149 -40.795 1.00 55.24 H new ATOM 0 HB1 ALA A 96 -4.773 2.194 -40.285 1.00 14.21 H new ATOM 0 HB2 ALA A 96 -3.723 3.285 -41.221 1.00 14.21 H new ATOM 0 HB3 ALA A 96 -5.058 2.426 -42.026 1.00 14.21 H new ATOM 1446 N LEU A 97 -4.158 -0.726 -40.349 1.00 62.33 N ATOM 1447 CA LEU A 97 -4.947 -1.914 -40.105 1.00 4.54 C ATOM 1448 C LEU A 97 -6.321 -1.466 -39.625 1.00 23.15 C ATOM 1449 O LEU A 97 -6.474 -1.003 -38.488 1.00 2.53 O ATOM 1450 CB LEU A 97 -4.229 -2.800 -39.065 1.00 62.35 C ATOM 1451 CG LEU A 97 -4.883 -4.160 -38.737 1.00 23.42 C ATOM 1452 CD1 LEU A 97 -3.835 -5.157 -38.239 1.00 52.33 C ATOM 1453 CD2 LEU A 97 -5.994 -4.008 -37.694 1.00 12.41 C ATOM 0 H LEU A 97 -3.636 -0.402 -39.535 1.00 62.33 H new ATOM 0 HA LEU A 97 -5.066 -2.511 -41.009 1.00 4.54 H new ATOM 0 HB2 LEU A 97 -3.216 -2.987 -39.420 1.00 62.35 H new ATOM 0 HB3 LEU A 97 -4.142 -2.233 -38.138 1.00 62.35 H new ATOM 0 HG LEU A 97 -5.327 -4.540 -39.657 1.00 23.42 H new ATOM 0 HD11 LEU A 97 -4.316 -6.109 -38.013 1.00 52.33 H new ATOM 0 HD12 LEU A 97 -3.079 -5.306 -39.010 1.00 52.33 H new ATOM 0 HD13 LEU A 97 -3.361 -4.767 -37.338 1.00 52.33 H new ATOM 0 HD21 LEU A 97 -6.433 -4.983 -37.486 1.00 12.41 H new ATOM 0 HD22 LEU A 97 -5.577 -3.594 -36.776 1.00 12.41 H new ATOM 0 HD23 LEU A 97 -6.763 -3.338 -38.077 1.00 12.41 H new ATOM 1465 N PHE A 98 -7.304 -1.565 -40.506 1.00 33.43 N ATOM 1466 CA PHE A 98 -8.634 -1.041 -40.243 1.00 22.33 C ATOM 1467 C PHE A 98 -9.579 -2.186 -39.896 1.00 65.01 C ATOM 1468 O PHE A 98 -9.792 -3.095 -40.703 1.00 52.24 O ATOM 1469 CB PHE A 98 -9.135 -0.269 -41.475 1.00 14.23 C ATOM 1470 CG PHE A 98 -10.214 0.743 -41.178 1.00 54.22 C ATOM 1471 CD1 PHE A 98 -9.880 2.035 -40.795 1.00 54.43 C ATOM 1472 CD2 PHE A 98 -11.555 0.412 -41.291 1.00 1.45 C ATOM 1473 CE1 PHE A 98 -10.861 2.971 -40.530 1.00 53.50 C ATOM 1474 CE2 PHE A 98 -12.540 1.345 -41.025 1.00 61.40 C ATOM 1475 CZ PHE A 98 -12.191 2.626 -40.646 1.00 43.13 C ATOM 0 H PHE A 98 -7.203 -2.009 -41.419 1.00 33.43 H new ATOM 0 HA PHE A 98 -8.600 -0.356 -39.396 1.00 22.33 H new ATOM 0 HB2 PHE A 98 -8.290 0.243 -41.937 1.00 14.23 H new ATOM 0 HB3 PHE A 98 -9.514 -0.982 -42.207 1.00 14.23 H new ATOM 0 HD1 PHE A 98 -8.840 2.312 -40.703 1.00 54.43 H new ATOM 0 HD2 PHE A 98 -11.834 -0.587 -41.591 1.00 1.45 H new ATOM 0 HE1 PHE A 98 -10.586 3.972 -40.232 1.00 53.50 H new ATOM 0 HE2 PHE A 98 -13.581 1.072 -41.114 1.00 61.40 H new ATOM 0 HZ PHE A 98 -12.959 3.357 -40.441 1.00 43.13 H new ATOM 1485 N THR A 99 -10.124 -2.152 -38.691 1.00 0.52 N ATOM 1486 CA THR A 99 -11.012 -3.204 -38.225 1.00 41.40 C ATOM 1487 C THR A 99 -12.457 -2.877 -38.608 1.00 32.20 C ATOM 1488 O THR A 99 -13.074 -1.981 -38.030 1.00 23.33 O ATOM 1489 CB THR A 99 -10.883 -3.384 -36.696 1.00 71.14 C ATOM 1490 OG1 THR A 99 -9.494 -3.551 -36.354 1.00 32.31 O ATOM 1491 CG2 THR A 99 -11.677 -4.595 -36.206 1.00 45.34 C ATOM 0 H THR A 99 -9.966 -1.404 -38.016 1.00 0.52 H new ATOM 0 HA THR A 99 -10.727 -4.141 -38.703 1.00 41.40 H new ATOM 0 HB THR A 99 -11.289 -2.496 -36.212 1.00 71.14 H new ATOM 0 HG1 THR A 99 -9.367 -4.418 -35.916 1.00 32.31 H new ATOM 0 HG21 THR A 99 -11.564 -4.692 -35.126 1.00 45.34 H new ATOM 0 HG22 THR A 99 -12.731 -4.462 -36.450 1.00 45.34 H new ATOM 0 HG23 THR A 99 -11.303 -5.496 -36.692 1.00 45.34 H new ATOM 1499 N ILE A 100 -12.974 -3.598 -39.601 1.00 21.32 N ATOM 1500 CA ILE A 100 -14.315 -3.362 -40.124 1.00 55.40 C ATOM 1501 C ILE A 100 -15.364 -4.130 -39.316 1.00 14.24 C ATOM 1502 O ILE A 100 -15.376 -5.372 -39.320 1.00 1.33 O ATOM 1503 CB ILE A 100 -14.415 -3.785 -41.617 1.00 12.11 C ATOM 1504 CG1 ILE A 100 -13.565 -2.865 -42.508 1.00 60.11 C ATOM 1505 CG2 ILE A 100 -15.872 -3.794 -42.093 1.00 11.45 C ATOM 1506 CD1 ILE A 100 -14.096 -1.449 -42.617 1.00 2.12 C ATOM 0 H ILE A 100 -12.476 -4.359 -40.063 1.00 21.32 H new ATOM 0 HA ILE A 100 -14.509 -2.293 -40.040 1.00 55.40 H new ATOM 0 HB ILE A 100 -14.024 -4.799 -41.699 1.00 12.11 H new ATOM 0 HG12 ILE A 100 -12.549 -2.832 -42.114 1.00 60.11 H new ATOM 0 HG13 ILE A 100 -13.505 -3.298 -43.507 1.00 60.11 H new ATOM 0 HG21 ILE A 100 -15.911 -4.093 -43.140 1.00 11.45 H new ATOM 0 HG22 ILE A 100 -16.447 -4.499 -41.492 1.00 11.45 H new ATOM 0 HG23 ILE A 100 -16.296 -2.796 -41.985 1.00 11.45 H new ATOM 0 HD11 ILE A 100 -13.441 -0.863 -43.262 1.00 2.12 H new ATOM 0 HD12 ILE A 100 -15.100 -1.469 -43.041 1.00 2.12 H new ATOM 0 HD13 ILE A 100 -14.129 -0.996 -41.626 1.00 2.12 H new ATOM 1518 N PRO A 101 -16.247 -3.402 -38.599 1.00 5.44 N ATOM 1519 CA PRO A 101 -17.398 -4.003 -37.936 1.00 42.13 C ATOM 1520 C PRO A 101 -18.375 -4.553 -38.967 1.00 14.34 C ATOM 1521 O PRO A 101 -18.496 -4.009 -40.070 1.00 14.05 O ATOM 1522 CB PRO A 101 -18.024 -2.845 -37.144 1.00 51.24 C ATOM 1523 CG PRO A 101 -17.548 -1.612 -37.835 1.00 0.42 C ATOM 1524 CD PRO A 101 -16.181 -1.943 -38.372 1.00 24.24 C ATOM 0 HA PRO A 101 -17.128 -4.842 -37.294 1.00 42.13 H new ATOM 0 HB2 PRO A 101 -19.112 -2.906 -37.148 1.00 51.24 H new ATOM 0 HB3 PRO A 101 -17.707 -2.862 -36.101 1.00 51.24 H new ATOM 0 HG2 PRO A 101 -18.226 -1.329 -38.640 1.00 0.42 H new ATOM 0 HG3 PRO A 101 -17.503 -0.770 -37.145 1.00 0.42 H new ATOM 0 HD2 PRO A 101 -15.970 -1.402 -39.294 1.00 24.24 H new ATOM 0 HD3 PRO A 101 -15.396 -1.682 -37.662 1.00 24.24 H new ATOM 1532 N TYR A 102 -19.089 -5.602 -38.593 1.00 62.24 N ATOM 1533 CA TYR A 102 -19.925 -6.344 -39.530 1.00 42.32 C ATOM 1534 C TYR A 102 -20.920 -5.439 -40.267 1.00 55.45 C ATOM 1535 O TYR A 102 -21.242 -5.688 -41.426 1.00 63.25 O ATOM 1536 CB TYR A 102 -20.669 -7.462 -38.789 1.00 22.34 C ATOM 1537 CG TYR A 102 -21.563 -6.985 -37.652 1.00 74.23 C ATOM 1538 CD1 TYR A 102 -21.050 -6.763 -36.376 1.00 34.34 C ATOM 1539 CD2 TYR A 102 -22.923 -6.768 -37.855 1.00 52.43 C ATOM 1540 CE1 TYR A 102 -21.865 -6.340 -35.341 1.00 44.51 C ATOM 1541 CE2 TYR A 102 -23.742 -6.343 -36.826 1.00 11.43 C ATOM 1542 CZ TYR A 102 -23.210 -6.131 -35.571 1.00 3.53 C ATOM 1543 OH TYR A 102 -24.028 -5.714 -34.542 1.00 60.43 O ATOM 0 H TYR A 102 -19.108 -5.963 -37.639 1.00 62.24 H new ATOM 0 HA TYR A 102 -19.269 -6.777 -40.285 1.00 42.32 H new ATOM 0 HB2 TYR A 102 -21.278 -8.012 -39.506 1.00 22.34 H new ATOM 0 HB3 TYR A 102 -19.937 -8.163 -38.388 1.00 22.34 H new ATOM 0 HD1 TYR A 102 -19.998 -6.924 -36.191 1.00 34.34 H new ATOM 0 HD2 TYR A 102 -23.346 -6.935 -38.835 1.00 52.43 H new ATOM 0 HE1 TYR A 102 -21.451 -6.174 -34.358 1.00 44.51 H new ATOM 0 HE2 TYR A 102 -24.794 -6.178 -37.004 1.00 11.43 H new ATOM 0 HH TYR A 102 -24.945 -5.614 -34.873 1.00 60.43 H new ATOM 1553 N GLN A 103 -21.376 -4.378 -39.605 1.00 54.01 N ATOM 1554 CA GLN A 103 -22.415 -3.511 -40.165 1.00 73.14 C ATOM 1555 C GLN A 103 -21.907 -2.710 -41.370 1.00 73.11 C ATOM 1556 O GLN A 103 -22.695 -2.285 -42.212 1.00 64.20 O ATOM 1557 CB GLN A 103 -22.946 -2.546 -39.097 1.00 20.21 C ATOM 1558 CG GLN A 103 -21.932 -1.501 -38.641 1.00 52.32 C ATOM 1559 CD GLN A 103 -22.529 -0.481 -37.686 1.00 12.35 C ATOM 1560 OE1 GLN A 103 -23.451 -0.789 -36.931 1.00 44.32 O ATOM 1561 NE2 GLN A 103 -22.019 0.743 -37.721 1.00 41.41 N ATOM 0 H GLN A 103 -21.045 -4.097 -38.682 1.00 54.01 H new ATOM 0 HA GLN A 103 -23.222 -4.161 -40.505 1.00 73.14 H new ATOM 0 HB2 GLN A 103 -23.826 -2.036 -39.489 1.00 20.21 H new ATOM 0 HB3 GLN A 103 -23.271 -3.123 -38.231 1.00 20.21 H new ATOM 0 HG2 GLN A 103 -21.095 -2.001 -38.154 1.00 52.32 H new ATOM 0 HG3 GLN A 103 -21.531 -0.985 -39.513 1.00 52.32 H new ATOM 0 HE21 GLN A 103 -21.255 0.959 -38.361 1.00 41.41 H new ATOM 0 HE22 GLN A 103 -22.391 1.468 -37.108 1.00 41.41 H new ATOM 1570 N LEU A 104 -20.593 -2.505 -41.450 1.00 62.14 N ATOM 1571 CA LEU A 104 -20.013 -1.671 -42.507 1.00 32.30 C ATOM 1572 C LEU A 104 -19.618 -2.502 -43.723 1.00 63.52 C ATOM 1573 O LEU A 104 -19.019 -1.981 -44.669 1.00 31.32 O ATOM 1574 CB LEU A 104 -18.793 -0.899 -41.980 1.00 72.14 C ATOM 1575 CG LEU A 104 -19.092 0.155 -40.900 1.00 20.21 C ATOM 1576 CD1 LEU A 104 -17.818 0.897 -40.505 1.00 1.30 C ATOM 1577 CD2 LEU A 104 -20.164 1.137 -41.378 1.00 71.42 C ATOM 0 H LEU A 104 -19.912 -2.901 -40.802 1.00 62.14 H new ATOM 0 HA LEU A 104 -20.778 -0.959 -42.817 1.00 32.30 H new ATOM 0 HB2 LEU A 104 -18.078 -1.616 -41.575 1.00 72.14 H new ATOM 0 HB3 LEU A 104 -18.307 -0.404 -42.821 1.00 72.14 H new ATOM 0 HG LEU A 104 -19.475 -0.361 -40.019 1.00 20.21 H new ATOM 0 HD11 LEU A 104 -18.051 1.638 -39.740 1.00 1.30 H new ATOM 0 HD12 LEU A 104 -17.090 0.187 -40.113 1.00 1.30 H new ATOM 0 HD13 LEU A 104 -17.402 1.397 -41.380 1.00 1.30 H new ATOM 0 HD21 LEU A 104 -20.358 1.872 -40.597 1.00 71.42 H new ATOM 0 HD22 LEU A 104 -19.816 1.646 -42.277 1.00 71.42 H new ATOM 0 HD23 LEU A 104 -21.082 0.593 -41.601 1.00 71.42 H new ATOM 1589 N ALA A 105 -19.964 -3.785 -43.706 1.00 62.01 N ATOM 1590 CA ALA A 105 -19.624 -4.684 -44.802 1.00 15.02 C ATOM 1591 C ALA A 105 -20.610 -5.847 -44.883 1.00 14.10 C ATOM 1592 O ALA A 105 -21.568 -5.924 -44.108 1.00 75.53 O ATOM 1593 CB ALA A 105 -18.198 -5.204 -44.637 1.00 53.05 C ATOM 0 H ALA A 105 -20.480 -4.226 -42.944 1.00 62.01 H new ATOM 0 HA ALA A 105 -19.688 -4.123 -45.734 1.00 15.02 H new ATOM 0 HB1 ALA A 105 -17.957 -5.874 -45.462 1.00 53.05 H new ATOM 0 HB2 ALA A 105 -17.502 -4.365 -44.636 1.00 53.05 H new ATOM 0 HB3 ALA A 105 -18.115 -5.745 -43.694 1.00 53.05 H new ATOM 1599 N TYR A 106 -20.359 -6.753 -45.824 1.00 54.43 N ATOM 1600 CA TYR A 106 -21.188 -7.943 -46.006 1.00 22.33 C ATOM 1601 C TYR A 106 -21.045 -8.893 -44.818 1.00 52.22 C ATOM 1602 O TYR A 106 -21.852 -9.803 -44.651 1.00 2.43 O ATOM 1603 CB TYR A 106 -20.812 -8.663 -47.315 1.00 62.33 C ATOM 1604 CG TYR A 106 -19.345 -9.059 -47.408 1.00 72.41 C ATOM 1605 CD1 TYR A 106 -18.385 -8.147 -47.834 1.00 61.54 C ATOM 1606 CD2 TYR A 106 -18.921 -10.342 -47.066 1.00 15.41 C ATOM 1607 CE1 TYR A 106 -17.052 -8.497 -47.920 1.00 50.11 C ATOM 1608 CE2 TYR A 106 -17.586 -10.699 -47.148 1.00 43.13 C ATOM 1609 CZ TYR A 106 -16.657 -9.770 -47.575 1.00 60.03 C ATOM 1610 OH TYR A 106 -15.326 -10.117 -47.659 1.00 3.12 O ATOM 0 H TYR A 106 -19.580 -6.685 -46.479 1.00 54.43 H new ATOM 0 HA TYR A 106 -22.229 -7.626 -46.066 1.00 22.33 H new ATOM 0 HB2 TYR A 106 -21.426 -9.558 -47.414 1.00 62.33 H new ATOM 0 HB3 TYR A 106 -21.056 -8.015 -48.157 1.00 62.33 H new ATOM 0 HD1 TYR A 106 -18.688 -7.146 -48.103 1.00 61.54 H new ATOM 0 HD2 TYR A 106 -19.646 -11.069 -46.732 1.00 15.41 H new ATOM 0 HE1 TYR A 106 -16.322 -7.775 -48.256 1.00 50.11 H new ATOM 0 HE2 TYR A 106 -17.273 -11.697 -46.880 1.00 43.13 H new ATOM 0 HH TYR A 106 -15.213 -11.049 -47.380 1.00 3.12 H new ATOM 1620 N GLY A 107 -20.018 -8.660 -43.995 1.00 75.14 N ATOM 1621 CA GLY A 107 -19.777 -9.487 -42.820 1.00 10.44 C ATOM 1622 C GLY A 107 -20.980 -9.554 -41.896 1.00 30.53 C ATOM 1623 O GLY A 107 -21.122 -10.492 -41.111 1.00 60.22 O ATOM 0 H GLY A 107 -19.344 -7.906 -44.125 1.00 75.14 H new ATOM 0 HA2 GLY A 107 -19.511 -10.495 -43.138 1.00 10.44 H new ATOM 0 HA3 GLY A 107 -18.923 -9.091 -42.270 1.00 10.44 H new ATOM 1627 N GLU A 108 -21.845 -8.545 -41.990 1.00 42.23 N ATOM 1628 CA GLU A 108 -23.102 -8.527 -41.250 1.00 2.53 C ATOM 1629 C GLU A 108 -23.926 -9.769 -41.578 1.00 1.12 C ATOM 1630 O GLU A 108 -24.464 -10.428 -40.687 1.00 70.21 O ATOM 1631 CB GLU A 108 -23.884 -7.253 -41.600 1.00 42.32 C ATOM 1632 CG GLU A 108 -25.219 -7.111 -40.880 1.00 4.21 C ATOM 1633 CD GLU A 108 -25.902 -5.789 -41.195 1.00 31.05 C ATOM 1634 OE1 GLU A 108 -26.382 -5.622 -42.336 1.00 64.21 O ATOM 1635 OE2 GLU A 108 -25.948 -4.905 -40.310 1.00 42.51 O ATOM 0 H GLU A 108 -21.695 -7.724 -42.577 1.00 42.23 H new ATOM 0 HA GLU A 108 -22.891 -8.531 -40.181 1.00 2.53 H new ATOM 0 HB2 GLU A 108 -23.266 -6.387 -41.365 1.00 42.32 H new ATOM 0 HB3 GLU A 108 -24.062 -7.236 -42.675 1.00 42.32 H new ATOM 0 HG2 GLU A 108 -25.874 -7.934 -41.166 1.00 4.21 H new ATOM 0 HG3 GLU A 108 -25.060 -7.189 -39.804 1.00 4.21 H new ATOM 1642 N ARG A 109 -23.983 -10.095 -42.865 1.00 41.24 N ATOM 1643 CA ARG A 109 -24.770 -11.224 -43.352 1.00 2.14 C ATOM 1644 C ARG A 109 -23.879 -12.450 -43.548 1.00 64.15 C ATOM 1645 O ARG A 109 -24.363 -13.583 -43.605 1.00 50.12 O ATOM 1646 CB ARG A 109 -25.453 -10.837 -44.671 1.00 42.44 C ATOM 1647 CG ARG A 109 -26.253 -9.539 -44.573 1.00 24.32 C ATOM 1648 CD ARG A 109 -26.837 -9.116 -45.914 1.00 60.10 C ATOM 1649 NE ARG A 109 -27.825 -10.074 -46.415 1.00 12.51 N ATOM 1650 CZ ARG A 109 -29.042 -9.736 -46.851 1.00 71.52 C ATOM 1651 NH1 ARG A 109 -29.438 -8.470 -46.804 1.00 63.01 N ATOM 1652 NH2 ARG A 109 -29.862 -10.665 -47.325 1.00 72.20 N ATOM 0 H ARG A 109 -23.488 -9.587 -43.598 1.00 41.24 H new ATOM 0 HA ARG A 109 -25.533 -11.475 -42.615 1.00 2.14 H new ATOM 0 HB2 ARG A 109 -24.696 -10.732 -45.448 1.00 42.44 H new ATOM 0 HB3 ARG A 109 -26.118 -11.644 -44.980 1.00 42.44 H new ATOM 0 HG2 ARG A 109 -27.060 -9.666 -43.852 1.00 24.32 H new ATOM 0 HG3 ARG A 109 -25.609 -8.746 -44.194 1.00 24.32 H new ATOM 0 HD2 ARG A 109 -27.303 -8.136 -45.812 1.00 60.10 H new ATOM 0 HD3 ARG A 109 -26.032 -9.012 -46.642 1.00 60.10 H new ATOM 0 HE ARG A 109 -27.568 -11.061 -46.432 1.00 12.51 H new ATOM 0 HH11 ARG A 109 -28.813 -7.754 -46.435 1.00 63.01 H new ATOM 0 HH12 ARG A 109 -30.367 -8.214 -47.137 1.00 63.01 H new ATOM 0 HH21 ARG A 109 -29.564 -11.640 -47.357 1.00 72.20 H new ATOM 0 HH22 ARG A 109 -30.790 -10.404 -47.657 1.00 72.20 H new ATOM 1666 N GLY A 110 -22.574 -12.208 -43.637 1.00 51.44 N ATOM 1667 CA GLY A 110 -21.610 -13.277 -43.819 1.00 74.31 C ATOM 1668 C GLY A 110 -21.733 -13.951 -45.171 1.00 44.44 C ATOM 1669 O GLY A 110 -21.412 -13.339 -46.192 1.00 52.23 O ATOM 0 H GLY A 110 -22.164 -11.276 -43.585 1.00 51.44 H new ATOM 0 HA2 GLY A 110 -20.603 -12.875 -43.708 1.00 74.31 H new ATOM 0 HA3 GLY A 110 -21.745 -14.020 -43.033 1.00 74.31 H new ATOM 1673 N TYR A 111 -22.206 -15.208 -45.144 1.00 14.34 N ATOM 1674 CA TYR A 111 -22.426 -16.072 -46.325 1.00 51.25 C ATOM 1675 C TYR A 111 -21.317 -17.138 -46.491 1.00 15.01 C ATOM 1676 O TYR A 111 -21.590 -18.320 -46.253 1.00 51.22 O ATOM 1677 CB TYR A 111 -22.680 -15.297 -47.639 1.00 51.01 C ATOM 1678 CG TYR A 111 -23.983 -14.510 -47.657 1.00 1.55 C ATOM 1679 CD1 TYR A 111 -25.195 -15.127 -47.350 1.00 14.33 C ATOM 1680 CD2 TYR A 111 -24.003 -13.156 -47.989 1.00 62.24 C ATOM 1681 CE1 TYR A 111 -26.381 -14.421 -47.375 1.00 51.32 C ATOM 1682 CE2 TYR A 111 -25.187 -12.447 -48.013 1.00 42.35 C ATOM 1683 CZ TYR A 111 -26.370 -13.084 -47.706 1.00 75.40 C ATOM 1684 OH TYR A 111 -27.549 -12.376 -47.737 1.00 34.13 O ATOM 0 H TYR A 111 -22.456 -15.671 -44.270 1.00 14.34 H new ATOM 0 HA TYR A 111 -23.357 -16.598 -46.114 1.00 51.25 H new ATOM 0 HB2 TYR A 111 -21.851 -14.610 -47.808 1.00 51.01 H new ATOM 0 HB3 TYR A 111 -22.683 -16.003 -48.469 1.00 51.01 H new ATOM 0 HD1 TYR A 111 -25.206 -16.175 -47.088 1.00 14.33 H new ATOM 0 HD2 TYR A 111 -23.078 -12.654 -48.231 1.00 62.24 H new ATOM 0 HE1 TYR A 111 -27.312 -14.914 -47.136 1.00 51.32 H new ATOM 0 HE2 TYR A 111 -25.186 -11.398 -48.271 1.00 42.35 H new ATOM 0 HH TYR A 111 -27.614 -11.886 -48.583 1.00 34.13 H new ATOM 1694 N PRO A 112 -20.062 -16.788 -46.883 1.00 71.14 N ATOM 1695 CA PRO A 112 -19.012 -17.800 -47.092 1.00 74.05 C ATOM 1696 C PRO A 112 -18.626 -18.498 -45.781 1.00 44.53 C ATOM 1697 O PRO A 112 -18.699 -17.897 -44.715 1.00 35.22 O ATOM 1698 CB PRO A 112 -17.833 -16.995 -47.665 1.00 3.14 C ATOM 1699 CG PRO A 112 -18.060 -15.601 -47.190 1.00 55.31 C ATOM 1700 CD PRO A 112 -19.553 -15.422 -47.131 1.00 34.32 C ATOM 0 HA PRO A 112 -19.336 -18.602 -47.755 1.00 74.05 H new ATOM 0 HB2 PRO A 112 -16.879 -17.384 -47.310 1.00 3.14 H new ATOM 0 HB3 PRO A 112 -17.812 -17.044 -48.754 1.00 3.14 H new ATOM 0 HG2 PRO A 112 -17.609 -15.444 -46.210 1.00 55.31 H new ATOM 0 HG3 PRO A 112 -17.607 -14.879 -47.869 1.00 55.31 H new ATOM 0 HD2 PRO A 112 -19.843 -14.736 -46.335 1.00 34.32 H new ATOM 0 HD3 PRO A 112 -19.944 -15.012 -48.062 1.00 34.32 H new ATOM 1708 N PRO A 113 -18.208 -19.778 -45.851 1.00 75.52 N ATOM 1709 CA PRO A 113 -17.893 -20.591 -44.657 1.00 14.13 C ATOM 1710 C PRO A 113 -16.912 -19.904 -43.699 1.00 51.33 C ATOM 1711 O PRO A 113 -16.976 -20.098 -42.483 1.00 50.55 O ATOM 1712 CB PRO A 113 -17.268 -21.863 -45.252 1.00 71.32 C ATOM 1713 CG PRO A 113 -17.853 -21.962 -46.621 1.00 43.15 C ATOM 1714 CD PRO A 113 -18.015 -20.545 -47.103 1.00 14.23 C ATOM 0 HA PRO A 113 -18.780 -20.772 -44.050 1.00 14.13 H new ATOM 0 HB2 PRO A 113 -16.181 -21.791 -45.289 1.00 71.32 H new ATOM 0 HB3 PRO A 113 -17.509 -22.741 -44.653 1.00 71.32 H new ATOM 0 HG2 PRO A 113 -17.200 -22.528 -47.285 1.00 43.15 H new ATOM 0 HG3 PRO A 113 -18.812 -22.480 -46.600 1.00 43.15 H new ATOM 0 HD2 PRO A 113 -17.137 -20.204 -47.652 1.00 14.23 H new ATOM 0 HD3 PRO A 113 -18.869 -20.443 -47.773 1.00 14.23 H new ATOM 1722 N VAL A 114 -16.009 -19.102 -44.255 1.00 63.42 N ATOM 1723 CA VAL A 114 -14.985 -18.422 -43.461 1.00 23.21 C ATOM 1724 C VAL A 114 -15.521 -17.130 -42.838 1.00 74.31 C ATOM 1725 O VAL A 114 -14.963 -16.627 -41.863 1.00 2.15 O ATOM 1726 CB VAL A 114 -13.726 -18.104 -44.313 1.00 34.22 C ATOM 1727 CG1 VAL A 114 -13.063 -19.397 -44.799 1.00 33.32 C ATOM 1728 CG2 VAL A 114 -14.079 -17.194 -45.497 1.00 53.14 C ATOM 0 H VAL A 114 -15.964 -18.905 -45.255 1.00 63.42 H new ATOM 0 HA VAL A 114 -14.705 -19.106 -42.660 1.00 23.21 H new ATOM 0 HB VAL A 114 -13.015 -17.571 -43.681 1.00 34.22 H new ATOM 0 HG11 VAL A 114 -12.183 -19.153 -45.394 1.00 33.32 H new ATOM 0 HG12 VAL A 114 -12.765 -19.998 -43.940 1.00 33.32 H new ATOM 0 HG13 VAL A 114 -13.769 -19.961 -45.409 1.00 33.32 H new ATOM 0 HG21 VAL A 114 -13.180 -16.987 -46.077 1.00 53.14 H new ATOM 0 HG22 VAL A 114 -14.814 -17.690 -46.131 1.00 53.14 H new ATOM 0 HG23 VAL A 114 -14.495 -16.258 -45.125 1.00 53.14 H new ATOM 1738 N ILE A 115 -16.603 -16.603 -43.404 1.00 51.04 N ATOM 1739 CA ILE A 115 -17.204 -15.358 -42.929 1.00 15.41 C ATOM 1740 C ILE A 115 -18.687 -15.574 -42.606 1.00 5.40 C ATOM 1741 O ILE A 115 -19.538 -15.529 -43.496 1.00 35.31 O ATOM 1742 CB ILE A 115 -17.062 -14.218 -43.977 1.00 64.33 C ATOM 1743 CG1 ILE A 115 -15.580 -13.948 -44.295 1.00 53.33 C ATOM 1744 CG2 ILE A 115 -17.746 -12.939 -43.493 1.00 50.30 C ATOM 1745 CD1 ILE A 115 -14.767 -13.510 -43.093 1.00 54.20 C ATOM 0 H ILE A 115 -17.086 -17.022 -44.199 1.00 51.04 H new ATOM 0 HA ILE A 115 -16.671 -15.061 -42.026 1.00 15.41 H new ATOM 0 HB ILE A 115 -17.557 -14.543 -44.892 1.00 64.33 H new ATOM 0 HG12 ILE A 115 -15.137 -14.852 -44.712 1.00 53.33 H new ATOM 0 HG13 ILE A 115 -15.517 -13.178 -45.064 1.00 53.33 H new ATOM 0 HG21 ILE A 115 -17.631 -12.158 -44.245 1.00 50.30 H new ATOM 0 HG22 ILE A 115 -18.806 -13.133 -43.330 1.00 50.30 H new ATOM 0 HG23 ILE A 115 -17.289 -12.613 -42.559 1.00 50.30 H new ATOM 0 HD11 ILE A 115 -13.734 -13.339 -43.395 1.00 54.20 H new ATOM 0 HD12 ILE A 115 -15.184 -12.588 -42.688 1.00 54.20 H new ATOM 0 HD13 ILE A 115 -14.798 -14.288 -42.330 1.00 54.20 H new ATOM 1757 N PRO A 116 -19.004 -15.858 -41.330 1.00 1.54 N ATOM 1758 CA PRO A 116 -20.388 -16.025 -40.873 1.00 4.42 C ATOM 1759 C PRO A 116 -21.058 -14.668 -40.606 1.00 1.54 C ATOM 1760 O PRO A 116 -20.388 -13.637 -40.625 1.00 44.24 O ATOM 1761 CB PRO A 116 -20.209 -16.817 -39.573 1.00 0.11 C ATOM 1762 CG PRO A 116 -18.902 -16.340 -39.031 1.00 2.34 C ATOM 1763 CD PRO A 116 -18.034 -16.043 -40.229 1.00 73.41 C ATOM 0 HA PRO A 116 -21.030 -16.518 -41.603 1.00 4.42 H new ATOM 0 HB2 PRO A 116 -21.024 -16.625 -38.875 1.00 0.11 H new ATOM 0 HB3 PRO A 116 -20.195 -17.891 -39.759 1.00 0.11 H new ATOM 0 HG2 PRO A 116 -19.037 -15.449 -38.417 1.00 2.34 H new ATOM 0 HG3 PRO A 116 -18.444 -17.098 -38.396 1.00 2.34 H new ATOM 0 HD2 PRO A 116 -17.430 -15.149 -40.074 1.00 73.41 H new ATOM 0 HD3 PRO A 116 -17.345 -16.861 -40.436 1.00 73.41 H new ATOM 1771 N PRO A 117 -22.390 -14.641 -40.380 1.00 32.11 N ATOM 1772 CA PRO A 117 -23.095 -13.406 -40.012 1.00 23.42 C ATOM 1773 C PRO A 117 -22.500 -12.768 -38.752 1.00 61.41 C ATOM 1774 O PRO A 117 -21.997 -13.473 -37.871 1.00 22.34 O ATOM 1775 CB PRO A 117 -24.548 -13.866 -39.767 1.00 44.33 C ATOM 1776 CG PRO A 117 -24.474 -15.354 -39.637 1.00 52.33 C ATOM 1777 CD PRO A 117 -23.311 -15.784 -40.485 1.00 32.41 C ATOM 0 HA PRO A 117 -23.018 -12.641 -40.785 1.00 23.42 H new ATOM 0 HB2 PRO A 117 -24.957 -13.412 -38.864 1.00 44.33 H new ATOM 0 HB3 PRO A 117 -25.197 -13.575 -40.593 1.00 44.33 H new ATOM 0 HG2 PRO A 117 -24.329 -15.649 -38.598 1.00 52.33 H new ATOM 0 HG3 PRO A 117 -25.398 -15.822 -39.975 1.00 52.33 H new ATOM 0 HD2 PRO A 117 -22.858 -16.704 -40.114 1.00 32.41 H new ATOM 0 HD3 PRO A 117 -23.610 -15.969 -41.517 1.00 32.41 H new ATOM 1785 N LYS A 118 -22.563 -11.434 -38.686 1.00 12.23 N ATOM 1786 CA LYS A 118 -22.008 -10.657 -37.567 1.00 22.13 C ATOM 1787 C LYS A 118 -20.475 -10.703 -37.546 1.00 41.51 C ATOM 1788 O LYS A 118 -19.850 -10.342 -36.543 1.00 20.11 O ATOM 1789 CB LYS A 118 -22.560 -11.145 -36.214 1.00 64.12 C ATOM 1790 CG LYS A 118 -24.057 -10.910 -36.016 1.00 0.22 C ATOM 1791 CD LYS A 118 -24.505 -11.353 -34.623 1.00 12.22 C ATOM 1792 CE LYS A 118 -25.989 -11.098 -34.381 1.00 54.44 C ATOM 1793 NZ LYS A 118 -26.402 -11.509 -33.011 1.00 73.32 N ATOM 0 H LYS A 118 -23.000 -10.860 -39.407 1.00 12.23 H new ATOM 0 HA LYS A 118 -22.320 -9.624 -37.722 1.00 22.13 H new ATOM 0 HB2 LYS A 118 -22.357 -12.212 -36.117 1.00 64.12 H new ATOM 0 HB3 LYS A 118 -22.018 -10.643 -35.413 1.00 64.12 H new ATOM 0 HG2 LYS A 118 -24.284 -9.853 -36.155 1.00 0.22 H new ATOM 0 HG3 LYS A 118 -24.617 -11.458 -36.773 1.00 0.22 H new ATOM 0 HD2 LYS A 118 -24.297 -12.416 -34.498 1.00 12.22 H new ATOM 0 HD3 LYS A 118 -23.921 -10.823 -33.871 1.00 12.22 H new ATOM 0 HE2 LYS A 118 -26.204 -10.039 -34.524 1.00 54.44 H new ATOM 0 HE3 LYS A 118 -26.577 -11.645 -35.118 1.00 54.44 H new ATOM 0 HZ1 LYS A 118 -27.417 -11.321 -32.883 1.00 73.32 H new ATOM 0 HZ2 LYS A 118 -26.220 -12.525 -32.884 1.00 73.32 H new ATOM 0 HZ3 LYS A 118 -25.858 -10.969 -32.308 1.00 73.32 H new ATOM 1807 N ALA A 119 -19.873 -11.110 -38.658 1.00 25.12 N ATOM 1808 CA ALA A 119 -18.420 -11.229 -38.743 1.00 55.24 C ATOM 1809 C ALA A 119 -17.741 -9.859 -38.795 1.00 12.24 C ATOM 1810 O ALA A 119 -17.891 -9.111 -39.765 1.00 74.12 O ATOM 1811 CB ALA A 119 -18.016 -12.058 -39.958 1.00 71.50 C ATOM 0 H ALA A 119 -20.367 -11.363 -39.513 1.00 25.12 H new ATOM 0 HA ALA A 119 -18.085 -11.737 -37.839 1.00 55.24 H new ATOM 0 HB1 ALA A 119 -16.930 -12.134 -40.002 1.00 71.50 H new ATOM 0 HB2 ALA A 119 -18.446 -13.056 -39.877 1.00 71.50 H new ATOM 0 HB3 ALA A 119 -18.383 -11.577 -40.865 1.00 71.50 H new ATOM 1817 N THR A 120 -17.015 -9.532 -37.733 1.00 51.12 N ATOM 1818 CA THR A 120 -16.159 -8.353 -37.710 1.00 71.23 C ATOM 1819 C THR A 120 -14.783 -8.741 -38.257 1.00 20.24 C ATOM 1820 O THR A 120 -14.114 -9.611 -37.692 1.00 3.02 O ATOM 1821 CB THR A 120 -16.031 -7.802 -36.273 1.00 65.31 C ATOM 1822 OG1 THR A 120 -17.341 -7.547 -35.743 1.00 65.31 O ATOM 1823 CG2 THR A 120 -15.201 -6.522 -36.234 1.00 44.33 C ATOM 0 H THR A 120 -17.003 -10.073 -36.868 1.00 51.12 H new ATOM 0 HA THR A 120 -16.597 -7.570 -38.329 1.00 71.23 H new ATOM 0 HB THR A 120 -15.520 -8.549 -35.666 1.00 65.31 H new ATOM 0 HG1 THR A 120 -17.263 -7.199 -34.830 1.00 65.31 H new ATOM 0 HG21 THR A 120 -15.133 -6.164 -35.207 1.00 44.33 H new ATOM 0 HG22 THR A 120 -14.200 -6.726 -36.615 1.00 44.33 H new ATOM 0 HG23 THR A 120 -15.676 -5.761 -36.853 1.00 44.33 H new ATOM 1831 N LEU A 121 -14.362 -8.102 -39.346 1.00 2.41 N ATOM 1832 CA LEU A 121 -13.200 -8.571 -40.104 1.00 73.03 C ATOM 1833 C LEU A 121 -12.161 -7.455 -40.238 1.00 70.13 C ATOM 1834 O LEU A 121 -12.511 -6.275 -40.301 1.00 70.31 O ATOM 1835 CB LEU A 121 -13.673 -9.074 -41.486 1.00 5.25 C ATOM 1836 CG LEU A 121 -12.804 -10.155 -42.172 1.00 44.23 C ATOM 1837 CD1 LEU A 121 -11.533 -9.568 -42.768 1.00 63.11 C ATOM 1838 CD2 LEU A 121 -12.466 -11.278 -41.191 1.00 11.54 C ATOM 0 H LEU A 121 -14.803 -7.263 -39.723 1.00 2.41 H new ATOM 0 HA LEU A 121 -12.721 -9.395 -39.575 1.00 73.03 H new ATOM 0 HB2 LEU A 121 -14.683 -9.470 -41.376 1.00 5.25 H new ATOM 0 HB3 LEU A 121 -13.738 -8.216 -42.155 1.00 5.25 H new ATOM 0 HG LEU A 121 -13.390 -10.569 -42.993 1.00 44.23 H new ATOM 0 HD11 LEU A 121 -10.952 -10.361 -43.240 1.00 63.11 H new ATOM 0 HD12 LEU A 121 -11.794 -8.817 -43.513 1.00 63.11 H new ATOM 0 HD13 LEU A 121 -10.941 -9.105 -41.978 1.00 63.11 H new ATOM 0 HD21 LEU A 121 -11.855 -12.028 -41.693 1.00 11.54 H new ATOM 0 HD22 LEU A 121 -11.915 -10.868 -40.344 1.00 11.54 H new ATOM 0 HD23 LEU A 121 -13.387 -11.740 -40.835 1.00 11.54 H new ATOM 1850 N VAL A 122 -10.884 -7.835 -40.278 1.00 31.41 N ATOM 1851 CA VAL A 122 -9.791 -6.873 -40.339 1.00 43.23 C ATOM 1852 C VAL A 122 -9.300 -6.705 -41.773 1.00 70.11 C ATOM 1853 O VAL A 122 -9.067 -7.685 -42.475 1.00 44.44 O ATOM 1854 CB VAL A 122 -8.614 -7.322 -39.439 1.00 61.11 C ATOM 1855 CG1 VAL A 122 -7.397 -6.426 -39.644 1.00 50.24 C ATOM 1856 CG2 VAL A 122 -9.035 -7.341 -37.969 1.00 74.23 C ATOM 0 H VAL A 122 -10.583 -8.810 -40.269 1.00 31.41 H new ATOM 0 HA VAL A 122 -10.169 -5.917 -39.978 1.00 43.23 H new ATOM 0 HB VAL A 122 -8.336 -8.336 -39.727 1.00 61.11 H new ATOM 0 HG11 VAL A 122 -6.585 -6.763 -39.000 1.00 50.24 H new ATOM 0 HG12 VAL A 122 -7.079 -6.476 -40.685 1.00 50.24 H new ATOM 0 HG13 VAL A 122 -7.656 -5.397 -39.393 1.00 50.24 H new ATOM 0 HG21 VAL A 122 -8.193 -7.659 -37.354 1.00 74.23 H new ATOM 0 HG22 VAL A 122 -9.348 -6.341 -37.667 1.00 74.23 H new ATOM 0 HG23 VAL A 122 -9.864 -8.036 -37.837 1.00 74.23 H new ATOM 1866 N PHE A 123 -9.154 -5.459 -42.204 1.00 33.02 N ATOM 1867 CA PHE A 123 -8.642 -5.157 -43.533 1.00 14.15 C ATOM 1868 C PHE A 123 -7.516 -4.129 -43.453 1.00 24.01 C ATOM 1869 O PHE A 123 -7.712 -3.029 -42.931 1.00 14.25 O ATOM 1870 CB PHE A 123 -9.760 -4.619 -44.438 1.00 30.11 C ATOM 1871 CG PHE A 123 -10.847 -5.619 -44.750 1.00 10.14 C ATOM 1872 CD1 PHE A 123 -10.706 -6.511 -45.805 1.00 52.10 C ATOM 1873 CD2 PHE A 123 -12.011 -5.660 -43.997 1.00 51.11 C ATOM 1874 CE1 PHE A 123 -11.705 -7.419 -46.100 1.00 34.12 C ATOM 1875 CE2 PHE A 123 -13.013 -6.565 -44.290 1.00 23.22 C ATOM 1876 CZ PHE A 123 -12.859 -7.446 -45.342 1.00 24.21 C ATOM 0 H PHE A 123 -9.385 -4.636 -41.647 1.00 33.02 H new ATOM 0 HA PHE A 123 -8.254 -6.082 -43.959 1.00 14.15 H new ATOM 0 HB2 PHE A 123 -10.210 -3.749 -43.960 1.00 30.11 H new ATOM 0 HB3 PHE A 123 -9.319 -4.276 -45.374 1.00 30.11 H new ATOM 0 HD1 PHE A 123 -9.806 -6.495 -46.401 1.00 52.10 H new ATOM 0 HD2 PHE A 123 -12.136 -4.976 -43.171 1.00 51.11 H new ATOM 0 HE1 PHE A 123 -11.583 -8.107 -46.923 1.00 34.12 H new ATOM 0 HE2 PHE A 123 -13.915 -6.583 -43.697 1.00 23.22 H new ATOM 0 HZ PHE A 123 -13.640 -8.155 -45.572 1.00 24.21 H new ATOM 1886 N GLU A 124 -6.337 -4.485 -43.955 1.00 64.31 N ATOM 1887 CA GLU A 124 -5.259 -3.517 -44.090 1.00 51.31 C ATOM 1888 C GLU A 124 -5.523 -2.637 -45.305 1.00 24.30 C ATOM 1889 O GLU A 124 -5.548 -3.118 -46.443 1.00 64.22 O ATOM 1890 CB GLU A 124 -3.875 -4.190 -44.207 1.00 15.04 C ATOM 1891 CG GLU A 124 -3.229 -4.531 -42.863 1.00 23.21 C ATOM 1892 CD GLU A 124 -1.726 -4.768 -42.977 1.00 12.02 C ATOM 1893 OE1 GLU A 124 -0.982 -3.799 -43.257 1.00 21.31 O ATOM 1894 OE2 GLU A 124 -1.271 -5.916 -42.803 1.00 32.21 O ATOM 0 H GLU A 124 -6.107 -5.427 -44.271 1.00 64.31 H new ATOM 0 HA GLU A 124 -5.239 -2.910 -43.185 1.00 51.31 H new ATOM 0 HB2 GLU A 124 -3.976 -5.105 -44.791 1.00 15.04 H new ATOM 0 HB3 GLU A 124 -3.208 -3.530 -44.761 1.00 15.04 H new ATOM 0 HG2 GLU A 124 -3.413 -3.719 -42.160 1.00 23.21 H new ATOM 0 HG3 GLU A 124 -3.703 -5.422 -42.452 1.00 23.21 H new ATOM 1901 N VAL A 125 -5.764 -1.360 -45.046 1.00 22.33 N ATOM 1902 CA VAL A 125 -5.962 -0.372 -46.096 1.00 0.42 C ATOM 1903 C VAL A 125 -4.659 0.387 -46.328 1.00 41.00 C ATOM 1904 O VAL A 125 -3.998 0.813 -45.374 1.00 20.15 O ATOM 1905 CB VAL A 125 -7.112 0.613 -45.749 1.00 20.05 C ATOM 1906 CG1 VAL A 125 -8.464 -0.096 -45.811 1.00 34.15 C ATOM 1907 CG2 VAL A 125 -6.904 1.231 -44.367 1.00 11.44 C ATOM 0 H VAL A 125 -5.828 -0.980 -44.102 1.00 22.33 H new ATOM 0 HA VAL A 125 -6.250 -0.893 -47.009 1.00 0.42 H new ATOM 0 HB VAL A 125 -7.102 1.414 -46.488 1.00 20.05 H new ATOM 0 HG11 VAL A 125 -9.257 0.610 -45.565 1.00 34.15 H new ATOM 0 HG12 VAL A 125 -8.625 -0.486 -46.816 1.00 34.15 H new ATOM 0 HG13 VAL A 125 -8.476 -0.919 -45.096 1.00 34.15 H new ATOM 0 HG21 VAL A 125 -7.723 1.917 -44.148 1.00 11.44 H new ATOM 0 HG22 VAL A 125 -6.881 0.442 -43.615 1.00 11.44 H new ATOM 0 HG23 VAL A 125 -5.960 1.776 -44.350 1.00 11.44 H new ATOM 1917 N GLU A 126 -4.279 0.534 -47.591 1.00 43.13 N ATOM 1918 CA GLU A 126 -2.975 1.085 -47.941 1.00 63.02 C ATOM 1919 C GLU A 126 -3.114 2.146 -49.036 1.00 75.21 C ATOM 1920 O GLU A 126 -3.484 1.832 -50.165 1.00 73.13 O ATOM 1921 CB GLU A 126 -2.070 -0.069 -48.403 1.00 51.44 C ATOM 1922 CG GLU A 126 -0.618 0.307 -48.651 1.00 43.20 C ATOM 1923 CD GLU A 126 0.189 -0.870 -49.181 1.00 3.30 C ATOM 1924 OE1 GLU A 126 0.355 -1.867 -48.449 1.00 33.31 O ATOM 1925 OE2 GLU A 126 0.647 -0.815 -50.344 1.00 32.43 O ATOM 0 H GLU A 126 -4.857 0.279 -48.392 1.00 43.13 H new ATOM 0 HA GLU A 126 -2.531 1.572 -47.073 1.00 63.02 H new ATOM 0 HB2 GLU A 126 -2.101 -0.857 -47.651 1.00 51.44 H new ATOM 0 HB3 GLU A 126 -2.482 -0.488 -49.321 1.00 51.44 H new ATOM 0 HG2 GLU A 126 -0.573 1.130 -49.365 1.00 43.20 H new ATOM 0 HG3 GLU A 126 -0.172 0.665 -47.723 1.00 43.20 H new ATOM 1932 N LEU A 127 -2.843 3.402 -48.688 1.00 44.31 N ATOM 1933 CA LEU A 127 -2.907 4.510 -49.643 1.00 71.21 C ATOM 1934 C LEU A 127 -1.557 4.648 -50.350 1.00 21.13 C ATOM 1935 O LEU A 127 -0.587 5.125 -49.755 1.00 72.31 O ATOM 1936 CB LEU A 127 -3.269 5.819 -48.903 1.00 2.35 C ATOM 1937 CG LEU A 127 -3.932 6.940 -49.739 1.00 62.44 C ATOM 1938 CD1 LEU A 127 -3.051 7.375 -50.906 1.00 31.13 C ATOM 1939 CD2 LEU A 127 -5.309 6.501 -50.234 1.00 41.12 C ATOM 0 H LEU A 127 -2.575 3.681 -47.744 1.00 44.31 H new ATOM 0 HA LEU A 127 -3.677 4.310 -50.388 1.00 71.21 H new ATOM 0 HB2 LEU A 127 -3.939 5.569 -48.081 1.00 2.35 H new ATOM 0 HB3 LEU A 127 -2.358 6.221 -48.460 1.00 2.35 H new ATOM 0 HG LEU A 127 -4.056 7.804 -49.086 1.00 62.44 H new ATOM 0 HD11 LEU A 127 -3.553 8.163 -51.467 1.00 31.13 H new ATOM 0 HD12 LEU A 127 -2.101 7.750 -50.525 1.00 31.13 H new ATOM 0 HD13 LEU A 127 -2.868 6.523 -51.561 1.00 31.13 H new ATOM 0 HD21 LEU A 127 -5.758 7.303 -50.819 1.00 41.12 H new ATOM 0 HD22 LEU A 127 -5.206 5.612 -50.856 1.00 41.12 H new ATOM 0 HD23 LEU A 127 -5.947 6.274 -49.380 1.00 41.12 H new ATOM 1951 N LEU A 128 -1.499 4.236 -51.617 1.00 14.43 N ATOM 1952 CA LEU A 128 -0.255 4.291 -52.386 1.00 30.41 C ATOM 1953 C LEU A 128 -0.015 5.705 -52.882 1.00 2.23 C ATOM 1954 O LEU A 128 1.064 6.275 -52.693 1.00 15.42 O ATOM 1955 CB LEU A 128 -0.292 3.324 -53.586 1.00 73.21 C ATOM 1956 CG LEU A 128 -0.098 1.836 -53.254 1.00 25.15 C ATOM 1957 CD1 LEU A 128 1.284 1.593 -52.648 1.00 61.42 C ATOM 1958 CD2 LEU A 128 -1.197 1.342 -52.321 1.00 51.52 C ATOM 0 H LEU A 128 -2.296 3.862 -52.131 1.00 14.43 H new ATOM 0 HA LEU A 128 0.559 3.988 -51.727 1.00 30.41 H new ATOM 0 HB2 LEU A 128 -1.250 3.441 -54.093 1.00 73.21 H new ATOM 0 HB3 LEU A 128 0.482 3.623 -54.293 1.00 73.21 H new ATOM 0 HG LEU A 128 -0.164 1.268 -54.182 1.00 25.15 H new ATOM 0 HD11 LEU A 128 1.400 0.533 -52.420 1.00 61.42 H new ATOM 0 HD12 LEU A 128 2.052 1.898 -53.359 1.00 61.42 H new ATOM 0 HD13 LEU A 128 1.387 2.174 -51.732 1.00 61.42 H new ATOM 0 HD21 LEU A 128 -1.039 0.286 -52.100 1.00 51.52 H new ATOM 0 HD22 LEU A 128 -1.172 1.915 -51.394 1.00 51.52 H new ATOM 0 HD23 LEU A 128 -2.167 1.471 -52.801 1.00 51.52 H new ATOM 1970 N ALA A 129 -1.042 6.265 -53.507 1.00 4.43 N ATOM 1971 CA ALA A 129 -0.965 7.602 -54.079 1.00 1.24 C ATOM 1972 C ALA A 129 -2.357 8.075 -54.464 1.00 55.22 C ATOM 1973 O ALA A 129 -3.342 7.384 -54.205 1.00 1.51 O ATOM 1974 CB ALA A 129 -0.034 7.620 -55.294 1.00 14.11 C ATOM 0 H ALA A 129 -1.946 5.809 -53.631 1.00 4.43 H new ATOM 0 HA ALA A 129 -0.553 8.281 -53.332 1.00 1.24 H new ATOM 0 HB1 ALA A 129 0.008 8.629 -55.705 1.00 14.11 H new ATOM 0 HB2 ALA A 129 0.966 7.309 -54.991 1.00 14.11 H new ATOM 0 HB3 ALA A 129 -0.412 6.935 -56.052 1.00 14.11 H new ATOM 1980 N VAL A 130 -2.439 9.252 -55.062 1.00 71.35 N ATOM 1981 CA VAL A 130 -3.704 9.763 -55.565 1.00 3.33 C ATOM 1982 C VAL A 130 -3.741 9.574 -57.080 1.00 10.44 C ATOM 1983 O VAL A 130 -3.311 10.491 -57.813 1.00 70.32 O ATOM 1984 CB VAL A 130 -3.903 11.261 -55.196 1.00 20.24 C ATOM 1985 CG1 VAL A 130 -5.299 11.747 -55.598 1.00 51.34 C ATOM 1986 CG2 VAL A 130 -3.657 11.483 -53.704 1.00 32.12 C ATOM 1987 OXT VAL A 130 -4.140 8.480 -57.531 1.00 0.00 O ATOM 0 H VAL A 130 -1.643 9.873 -55.211 1.00 71.35 H new ATOM 0 HA VAL A 130 -4.520 9.209 -55.100 1.00 3.33 H new ATOM 0 HB VAL A 130 -3.174 11.848 -55.755 1.00 20.24 H new ATOM 0 HG11 VAL A 130 -5.410 12.797 -55.328 1.00 51.34 H new ATOM 0 HG12 VAL A 130 -5.428 11.633 -56.674 1.00 51.34 H new ATOM 0 HG13 VAL A 130 -6.053 11.157 -55.078 1.00 51.34 H new ATOM 0 HG21 VAL A 130 -3.801 12.537 -53.464 1.00 32.12 H new ATOM 0 HG22 VAL A 130 -4.358 10.881 -53.126 1.00 32.12 H new ATOM 0 HG23 VAL A 130 -2.637 11.190 -53.456 1.00 32.12 H new