USER MOD reduce.3.24.130724 H: found=0, std=0, add=896, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 900 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 130 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 135 SER OG : rot -140:sc= -2.29! USER MOD Set 2.1: A 81 THR OG1 : rot 150:sc= 0.111 USER MOD Set 2.2: A 146 GLN : amide:sc= 0.103 K(o=0.21,f=-0.68) USER MOD Set 3.1: A 34 MET CE :methyl -145:sc= -3.25 (180deg=-3.81!) USER MOD Set 3.2: A 51 MET CE :methyl -172:sc= -0.765 (180deg=-0.867) USER MOD Set 4.1: A 46 SER OG : rot 166:sc= 0.073 USER MOD Set 4.2: A 49 MET CE :methyl 149:sc= -0.691 (180deg=-1.9) USER MOD Single : A 25 LYS NZ :NH3+ 163:sc= 1.02 (180deg=0.309) USER MOD Single : A 29 TYR OH : rot 180:sc= 0.335 USER MOD Single : A 38 GLN : amide:sc= -6.82! C(o=-6.8!,f=-12!) USER MOD Single : A 42 LYS NZ :NH3+ -153:sc= 0.374 (180deg=0.125) USER MOD Single : A 45 LYS NZ :NH3+ 156:sc= 1.26 (180deg=0.679) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc=-0.00472 USER MOD Single : A 85 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0661) USER MOD Single : A 99 SER OG : rot -76:sc= 0.187 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot -130:sc= 0.755 USER MOD Single : A 112 MET CE :methyl -168:sc= -0.868 (180deg=-1.37) USER MOD Single : A 115 LYS NZ :NH3+ 161:sc= -0.0586 (180deg=-0.396) USER MOD Single : A 126 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0839) USER MOD Single : A 134 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 142 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0195) USER MOD Single : A 145 GLN : amide:sc=-0.00303 K(o=-0.003,f=-0.92) USER MOD Single : A 152 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 157 SER OG : rot 180:sc= 0.00517 USER MOD Single : A 160 SER OG : rot 180:sc= 0 USER MOD Single : A 164 THR OG1 : rot 15:sc= 0.0535 USER MOD ----------------------------------------------------------------- ATOM 308 N LYS A 25 15.067 11.126 -16.630 1.00 8.70 N ATOM 309 CA LYS A 25 14.558 10.075 -17.469 1.00 8.11 C ATOM 310 C LYS A 25 13.381 10.623 -18.256 1.00 7.19 C ATOM 311 O LYS A 25 12.252 10.173 -18.146 1.00 6.94 O ATOM 312 CB LYS A 25 14.206 8.822 -16.640 1.00 8.62 C ATOM 313 CG LYS A 25 12.947 8.909 -15.782 1.00 9.02 C ATOM 314 CD LYS A 25 13.107 9.832 -14.587 1.00 9.74 C ATOM 315 CE LYS A 25 11.870 9.784 -13.709 1.00 10.22 C ATOM 316 NZ LYS A 25 11.547 8.391 -13.305 1.00 10.38 N1+ ATOM 0 HA LYS A 25 15.320 9.747 -18.176 1.00 8.11 H new ATOM 0 HB2 LYS A 25 14.097 7.980 -17.323 1.00 8.62 H new ATOM 0 HB3 LYS A 25 15.049 8.596 -15.988 1.00 8.62 H new ATOM 0 HG2 LYS A 25 12.118 9.260 -16.397 1.00 9.02 H new ATOM 0 HG3 LYS A 25 12.683 7.911 -15.431 1.00 9.02 H new ATOM 0 HD2 LYS A 25 13.983 9.539 -14.008 1.00 9.74 H new ATOM 0 HD3 LYS A 25 13.278 10.853 -14.929 1.00 9.74 H new ATOM 0 HE2 LYS A 25 12.029 10.395 -12.820 1.00 10.22 H new ATOM 0 HE3 LYS A 25 11.024 10.215 -14.245 1.00 10.22 H new ATOM 0 HZ1 LYS A 25 10.895 8.407 -12.495 1.00 10.38 H new ATOM 0 HZ2 LYS A 25 11.098 7.894 -14.101 1.00 10.38 H new ATOM 0 HZ3 LYS A 25 12.421 7.896 -13.036 1.00 10.38 H new ATOM 330 N ARG A 26 13.678 11.628 -19.053 1.00 6.90 N ATOM 331 CA ARG A 26 12.663 12.322 -19.820 1.00 6.23 C ATOM 332 C ARG A 26 13.023 12.298 -21.300 1.00 5.83 C ATOM 333 O ARG A 26 14.184 12.466 -21.675 1.00 6.27 O ATOM 334 CB ARG A 26 12.535 13.747 -19.304 1.00 6.68 C ATOM 335 CG ARG A 26 12.141 13.806 -17.839 1.00 7.16 C ATOM 336 CD ARG A 26 11.647 15.194 -17.461 1.00 7.38 C ATOM 337 NE ARG A 26 11.508 15.361 -16.014 1.00 7.54 N ATOM 338 CZ ARG A 26 11.314 16.541 -15.424 1.00 7.99 C ATOM 339 NH1 ARG A 26 11.197 17.639 -16.157 1.00 8.33 N1+ ATOM 340 NH2 ARG A 26 11.235 16.625 -14.102 1.00 8.37 N ATOM 0 H ARG A 26 14.624 11.986 -19.188 1.00 6.90 H new ATOM 0 HA ARG A 26 11.701 11.823 -19.704 1.00 6.23 H new ATOM 0 HB2 ARG A 26 13.484 14.266 -19.442 1.00 6.68 H new ATOM 0 HB3 ARG A 26 11.792 14.279 -19.898 1.00 6.68 H new ATOM 0 HG2 ARG A 26 11.361 13.072 -17.639 1.00 7.16 H new ATOM 0 HG3 ARG A 26 12.996 13.539 -17.218 1.00 7.16 H new ATOM 0 HD2 ARG A 26 12.341 15.941 -17.845 1.00 7.38 H new ATOM 0 HD3 ARG A 26 10.685 15.377 -17.939 1.00 7.38 H new ATOM 0 HE ARG A 26 11.562 14.530 -15.425 1.00 7.54 H new ATOM 0 HH11 ARG A 26 11.255 17.582 -17.174 1.00 8.33 H new ATOM 0 HH12 ARG A 26 11.049 18.541 -15.704 1.00 8.33 H new ATOM 0 HH21 ARG A 26 11.323 15.784 -13.531 1.00 8.37 H new ATOM 0 HH22 ARG A 26 11.087 17.530 -13.656 1.00 8.37 H new ATOM 354 N ILE A 27 11.993 12.074 -22.112 1.00 5.15 N ATOM 355 CA ILE A 27 12.133 11.746 -23.528 1.00 4.81 C ATOM 356 C ILE A 27 13.064 12.662 -24.286 1.00 5.34 C ATOM 357 O ILE A 27 12.919 13.886 -24.288 1.00 5.76 O ATOM 358 CB ILE A 27 10.762 11.717 -24.233 1.00 4.32 C ATOM 359 CG1 ILE A 27 9.919 10.571 -23.695 1.00 4.09 C ATOM 360 CG2 ILE A 27 10.922 11.596 -25.739 1.00 4.22 C ATOM 361 CD1 ILE A 27 10.544 9.207 -23.852 1.00 4.18 C ATOM 0 H ILE A 27 11.023 12.116 -21.800 1.00 5.15 H new ATOM 0 HA ILE A 27 12.583 10.753 -23.541 1.00 4.81 H new ATOM 0 HB ILE A 27 10.253 12.658 -24.025 1.00 4.32 H new ATOM 0 HG12 ILE A 27 9.722 10.747 -22.637 1.00 4.09 H new ATOM 0 HG13 ILE A 27 8.955 10.576 -24.204 1.00 4.09 H new ATOM 0 HG21 ILE A 27 9.939 11.578 -26.209 1.00 4.22 H new ATOM 0 HG22 ILE A 27 11.488 12.448 -26.114 1.00 4.22 H new ATOM 0 HG23 ILE A 27 11.454 10.675 -25.975 1.00 4.22 H new ATOM 0 HD11 ILE A 27 9.875 8.451 -23.442 1.00 4.18 H new ATOM 0 HD12 ILE A 27 10.715 9.005 -24.909 1.00 4.18 H new ATOM 0 HD13 ILE A 27 11.494 9.179 -23.319 1.00 4.18 H new ATOM 373 N LEU A 28 14.003 12.022 -24.953 1.00 5.52 N ATOM 374 CA LEU A 28 15.001 12.702 -25.734 1.00 6.20 C ATOM 375 C LEU A 28 14.828 12.363 -27.214 1.00 6.05 C ATOM 376 O LEU A 28 14.963 13.232 -28.079 1.00 6.59 O ATOM 377 CB LEU A 28 16.376 12.274 -25.234 1.00 6.86 C ATOM 378 CG LEU A 28 17.550 13.159 -25.656 1.00 7.51 C ATOM 379 CD1 LEU A 28 17.377 14.578 -25.131 1.00 8.22 C ATOM 380 CD2 LEU A 28 18.859 12.560 -25.162 1.00 7.71 C ATOM 0 H LEU A 28 14.090 11.006 -24.964 1.00 5.52 H new ATOM 0 HA LEU A 28 14.896 13.782 -25.626 1.00 6.20 H new ATOM 0 HB2 LEU A 28 16.349 12.236 -24.145 1.00 6.86 H new ATOM 0 HB3 LEU A 28 16.568 11.260 -25.583 1.00 6.86 H new ATOM 0 HG LEU A 28 17.574 13.206 -26.745 1.00 7.51 H new ATOM 0 HD11 LEU A 28 18.224 15.188 -25.444 1.00 8.22 H new ATOM 0 HD12 LEU A 28 16.456 15.004 -25.530 1.00 8.22 H new ATOM 0 HD13 LEU A 28 17.326 14.559 -24.042 1.00 8.22 H new ATOM 0 HD21 LEU A 28 19.689 13.197 -25.467 1.00 7.71 H new ATOM 0 HD22 LEU A 28 18.838 12.487 -24.075 1.00 7.71 H new ATOM 0 HD23 LEU A 28 18.988 11.566 -25.590 1.00 7.71 H new ATOM 392 N TYR A 29 14.494 11.097 -27.489 1.00 5.47 N ATOM 393 CA TYR A 29 14.300 10.619 -28.857 1.00 5.43 C ATOM 394 C TYR A 29 13.842 9.159 -28.852 1.00 4.86 C ATOM 395 O TYR A 29 13.544 8.592 -27.796 1.00 4.58 O ATOM 396 CB TYR A 29 15.590 10.763 -29.659 1.00 6.20 C ATOM 397 CG TYR A 29 16.646 9.730 -29.315 1.00 6.41 C ATOM 398 CD1 TYR A 29 17.144 9.611 -28.026 1.00 6.76 C ATOM 399 CD2 TYR A 29 17.141 8.875 -30.287 1.00 6.48 C ATOM 400 CE1 TYR A 29 18.111 8.674 -27.719 1.00 7.24 C ATOM 401 CE2 TYR A 29 18.106 7.936 -29.991 1.00 6.91 C ATOM 402 CZ TYR A 29 18.572 7.834 -28.667 1.00 7.33 C ATOM 403 OH TYR A 29 19.548 6.899 -28.403 1.00 7.99 O ATOM 0 H TYR A 29 14.352 10.383 -26.775 1.00 5.47 H new ATOM 0 HA TYR A 29 13.527 11.226 -29.328 1.00 5.43 H new ATOM 0 HB2 TYR A 29 15.356 10.689 -30.721 1.00 6.20 H new ATOM 0 HB3 TYR A 29 16.001 11.758 -29.491 1.00 6.20 H new ATOM 0 HD1 TYR A 29 16.769 10.262 -27.250 1.00 6.76 H new ATOM 0 HD2 TYR A 29 16.763 8.946 -31.296 1.00 6.48 H new ATOM 0 HE1 TYR A 29 18.500 8.614 -26.713 1.00 7.24 H new ATOM 0 HE2 TYR A 29 18.498 7.289 -30.762 1.00 6.91 H new ATOM 0 HH TYR A 29 19.742 6.390 -29.217 1.00 7.99 H new ATOM 413 N TRP A 30 13.778 8.575 -30.047 1.00 4.95 N ATOM 414 CA TRP A 30 13.256 7.226 -30.255 1.00 4.73 C ATOM 415 C TRP A 30 14.284 6.353 -30.952 1.00 5.18 C ATOM 416 O TRP A 30 15.095 6.848 -31.727 1.00 5.61 O ATOM 417 CB TRP A 30 12.007 7.294 -31.124 1.00 4.74 C ATOM 418 CG TRP A 30 10.735 7.349 -30.345 1.00 4.48 C ATOM 419 CD1 TRP A 30 9.825 6.347 -30.207 1.00 4.66 C ATOM 420 CD2 TRP A 30 10.228 8.459 -29.602 1.00 4.33 C ATOM 421 NE1 TRP A 30 8.778 6.769 -29.426 1.00 4.65 N ATOM 422 CE2 TRP A 30 9.002 8.060 -29.046 1.00 4.37 C ATOM 423 CE3 TRP A 30 10.691 9.750 -29.358 1.00 4.46 C ATOM 424 CZ2 TRP A 30 8.234 8.907 -28.261 1.00 4.41 C ATOM 425 CZ3 TRP A 30 9.927 10.590 -28.579 1.00 4.49 C ATOM 426 CH2 TRP A 30 8.710 10.166 -28.038 1.00 4.40 C ATOM 0 H TRP A 30 14.090 9.029 -30.906 1.00 4.95 H new ATOM 0 HA TRP A 30 13.021 6.795 -29.282 1.00 4.73 H new ATOM 0 HB2 TRP A 30 12.069 8.174 -31.765 1.00 4.74 H new ATOM 0 HB3 TRP A 30 11.984 6.423 -31.780 1.00 4.74 H new ATOM 0 HD1 TRP A 30 9.913 5.365 -30.647 1.00 4.66 H new ATOM 0 HE1 TRP A 30 7.965 6.209 -29.171 1.00 4.65 H new ATOM 0 HE3 TRP A 30 11.631 10.085 -29.772 1.00 4.46 H new ATOM 0 HZ2 TRP A 30 7.293 8.582 -27.842 1.00 4.41 H new ATOM 0 HZ3 TRP A 30 10.274 11.594 -28.383 1.00 4.49 H new ATOM 0 HH2 TRP A 30 8.135 10.849 -27.431 1.00 4.40 H new ATOM 437 N ARG A 31 14.237 5.056 -30.677 1.00 5.31 N ATOM 438 CA ARG A 31 15.175 4.115 -31.255 1.00 5.89 C ATOM 439 C ARG A 31 14.583 2.716 -31.342 1.00 6.18 C ATOM 440 O ARG A 31 13.802 2.311 -30.480 1.00 6.15 O ATOM 441 CB ARG A 31 16.464 4.075 -30.432 1.00 6.39 C ATOM 442 CG ARG A 31 16.240 3.851 -28.944 1.00 6.58 C ATOM 443 CD ARG A 31 17.537 4.013 -28.170 1.00 7.25 C ATOM 444 NE ARG A 31 17.350 3.852 -26.730 1.00 7.68 N ATOM 445 CZ ARG A 31 18.185 4.344 -25.812 1.00 8.49 C ATOM 446 NH1 ARG A 31 19.219 5.093 -26.175 1.00 8.90 N1+ ATOM 447 NH2 ARG A 31 17.964 4.115 -24.524 1.00 9.06 N ATOM 0 H ARG A 31 13.551 4.633 -30.051 1.00 5.31 H new ATOM 0 HA ARG A 31 15.398 4.455 -32.266 1.00 5.89 H new ATOM 0 HB2 ARG A 31 17.104 3.281 -30.816 1.00 6.39 H new ATOM 0 HB3 ARG A 31 17.001 5.013 -30.571 1.00 6.39 H new ATOM 0 HG2 ARG A 31 15.500 4.560 -28.573 1.00 6.58 H new ATOM 0 HG3 ARG A 31 15.836 2.852 -28.779 1.00 6.58 H new ATOM 0 HD2 ARG A 31 18.262 3.280 -28.524 1.00 7.25 H new ATOM 0 HD3 ARG A 31 17.956 4.999 -28.371 1.00 7.25 H new ATOM 0 HE ARG A 31 16.533 3.333 -26.407 1.00 7.68 H new ATOM 0 HH11 ARG A 31 19.380 5.296 -27.161 1.00 8.90 H new ATOM 0 HH12 ARG A 31 19.852 5.465 -25.467 1.00 8.90 H new ATOM 0 HH21 ARG A 31 17.156 3.563 -24.235 1.00 9.06 H new ATOM 0 HH22 ARG A 31 18.602 4.491 -23.822 1.00 9.06 H new ATOM 461 N ASP A 32 14.949 1.986 -32.384 1.00 6.64 N ATOM 462 CA ASP A 32 14.609 0.572 -32.473 1.00 7.19 C ATOM 463 C ASP A 32 15.592 -0.202 -31.603 1.00 7.82 C ATOM 464 O ASP A 32 16.799 0.027 -31.680 1.00 8.07 O ATOM 465 CB ASP A 32 14.693 0.076 -33.928 1.00 7.56 C ATOM 466 CG ASP A 32 14.051 -1.286 -34.165 1.00 7.94 C ATOM 467 OD1 ASP A 32 14.356 -2.240 -33.427 1.00 8.31 O1- ATOM 468 OD2 ASP A 32 13.251 -1.409 -35.114 1.00 8.10 O ATOM 0 H ASP A 32 15.479 2.346 -33.177 1.00 6.64 H new ATOM 0 HA ASP A 32 13.586 0.418 -32.130 1.00 7.19 H new ATOM 0 HB2 ASP A 32 14.213 0.808 -34.577 1.00 7.56 H new ATOM 0 HB3 ASP A 32 15.741 0.027 -34.223 1.00 7.56 H new ATOM 473 N PRO A 33 15.113 -1.088 -30.735 1.00 8.28 N ATOM 474 CA PRO A 33 15.991 -1.924 -29.915 1.00 9.11 C ATOM 475 C PRO A 33 16.886 -2.831 -30.762 1.00 9.74 C ATOM 476 O PRO A 33 17.860 -3.398 -30.268 1.00 10.41 O ATOM 477 CB PRO A 33 15.034 -2.764 -29.071 1.00 9.60 C ATOM 478 CG PRO A 33 13.706 -2.092 -29.174 1.00 8.98 C ATOM 479 CD PRO A 33 13.693 -1.321 -30.461 1.00 8.23 C ATOM 0 HA PRO A 33 16.672 -1.317 -29.319 1.00 9.11 H new ATOM 0 HB2 PRO A 33 14.984 -3.789 -29.440 1.00 9.60 H new ATOM 0 HB3 PRO A 33 15.368 -2.814 -28.035 1.00 9.60 H new ATOM 0 HG2 PRO A 33 12.901 -2.827 -29.159 1.00 8.98 H new ATOM 0 HG3 PRO A 33 13.546 -1.426 -28.326 1.00 8.98 H new ATOM 0 HD2 PRO A 33 13.217 -1.886 -31.262 1.00 8.23 H new ATOM 0 HD3 PRO A 33 13.144 -0.384 -30.362 1.00 8.23 H new ATOM 487 N MET A 34 16.555 -2.962 -32.039 1.00 9.60 N ATOM 488 CA MET A 34 17.365 -3.742 -32.962 1.00 10.19 C ATOM 489 C MET A 34 18.326 -2.854 -33.735 1.00 9.99 C ATOM 490 O MET A 34 19.069 -3.331 -34.591 1.00 10.53 O ATOM 491 CB MET A 34 16.493 -4.511 -33.952 1.00 10.40 C ATOM 492 CG MET A 34 15.918 -5.809 -33.412 1.00 10.85 C ATOM 493 SD MET A 34 14.136 -5.763 -33.139 1.00 10.55 S ATOM 494 CE MET A 34 14.024 -4.794 -31.650 1.00 10.30 C ATOM 0 H MET A 34 15.729 -2.537 -32.460 1.00 9.60 H new ATOM 0 HA MET A 34 17.935 -4.451 -32.361 1.00 10.19 H new ATOM 0 HB2 MET A 34 15.671 -3.868 -34.268 1.00 10.40 H new ATOM 0 HB3 MET A 34 17.084 -4.733 -34.841 1.00 10.40 H new ATOM 0 HG2 MET A 34 16.148 -6.614 -34.110 1.00 10.85 H new ATOM 0 HG3 MET A 34 16.413 -6.051 -32.472 1.00 10.85 H new ATOM 0 HE1 MET A 34 13.200 -5.161 -31.038 1.00 10.30 H new ATOM 0 HE2 MET A 34 14.956 -4.877 -31.091 1.00 10.30 H new ATOM 0 HE3 MET A 34 13.848 -3.750 -31.908 1.00 10.30 H new ATOM 504 N VAL A 35 18.318 -1.562 -33.438 1.00 9.32 N ATOM 505 CA VAL A 35 19.243 -0.634 -34.090 1.00 9.27 C ATOM 506 C VAL A 35 20.017 0.246 -33.077 1.00 9.25 C ATOM 507 O VAL A 35 20.288 1.421 -33.341 1.00 8.98 O ATOM 508 CB VAL A 35 18.477 0.243 -35.105 1.00 8.70 C ATOM 509 CG1 VAL A 35 17.613 -0.637 -35.989 1.00 8.84 C ATOM 510 CG2 VAL A 35 17.636 1.303 -34.410 1.00 7.95 C ATOM 0 H VAL A 35 17.691 -1.132 -32.758 1.00 9.32 H new ATOM 0 HA VAL A 35 19.989 -1.230 -34.615 1.00 9.27 H new ATOM 0 HB VAL A 35 19.206 0.767 -35.723 1.00 8.70 H new ATOM 0 HG11 VAL A 35 17.074 -0.016 -36.704 1.00 8.84 H new ATOM 0 HG12 VAL A 35 18.244 -1.345 -36.526 1.00 8.84 H new ATOM 0 HG13 VAL A 35 16.899 -1.183 -35.372 1.00 8.84 H new ATOM 0 HG21 VAL A 35 17.112 1.900 -35.157 1.00 7.95 H new ATOM 0 HG22 VAL A 35 16.909 0.820 -33.757 1.00 7.95 H new ATOM 0 HG23 VAL A 35 18.283 1.950 -33.817 1.00 7.95 H new ATOM 520 N PRO A 36 20.447 -0.320 -31.926 1.00 9.74 N ATOM 521 CA PRO A 36 21.075 0.458 -30.850 1.00 9.85 C ATOM 522 C PRO A 36 22.355 1.159 -31.303 1.00 10.22 C ATOM 523 O PRO A 36 23.247 0.533 -31.881 1.00 10.95 O ATOM 524 CB PRO A 36 21.398 -0.594 -29.784 1.00 10.65 C ATOM 525 CG PRO A 36 21.455 -1.877 -30.533 1.00 11.10 C ATOM 526 CD PRO A 36 20.410 -1.752 -31.595 1.00 10.41 C ATOM 0 HA PRO A 36 20.421 1.256 -30.499 1.00 9.85 H new ATOM 0 HB2 PRO A 36 22.346 -0.380 -29.290 1.00 10.65 H new ATOM 0 HB3 PRO A 36 20.633 -0.621 -29.008 1.00 10.65 H new ATOM 0 HG2 PRO A 36 22.442 -2.037 -30.967 1.00 11.10 H new ATOM 0 HG3 PRO A 36 21.253 -2.725 -29.879 1.00 11.10 H new ATOM 0 HD2 PRO A 36 20.638 -2.373 -32.461 1.00 10.41 H new ATOM 0 HD3 PRO A 36 19.428 -2.058 -31.234 1.00 10.41 H new ATOM 534 N GLY A 37 22.440 2.456 -31.046 1.00 9.82 N ATOM 535 CA GLY A 37 23.597 3.223 -31.466 1.00 10.31 C ATOM 536 C GLY A 37 23.226 4.280 -32.480 1.00 9.86 C ATOM 537 O GLY A 37 24.051 5.107 -32.873 1.00 10.21 O ATOM 0 H GLY A 37 21.727 2.993 -30.553 1.00 9.82 H new ATOM 0 HA2 GLY A 37 24.055 3.696 -30.598 1.00 10.31 H new ATOM 0 HA3 GLY A 37 24.342 2.553 -31.894 1.00 10.31 H new ATOM 541 N GLN A 38 21.974 4.244 -32.907 1.00 9.21 N ATOM 542 CA GLN A 38 21.455 5.211 -33.860 1.00 8.88 C ATOM 543 C GLN A 38 20.873 6.420 -33.119 1.00 8.38 C ATOM 544 O GLN A 38 20.901 6.463 -31.886 1.00 8.00 O ATOM 545 CB GLN A 38 20.425 4.536 -34.795 1.00 8.51 C ATOM 546 CG GLN A 38 18.987 4.959 -34.570 1.00 8.11 C ATOM 547 CD GLN A 38 18.498 4.733 -33.158 1.00 8.18 C ATOM 548 OE1 GLN A 38 17.706 5.512 -32.642 1.00 8.47 O ATOM 549 NE2 GLN A 38 18.950 3.667 -32.532 1.00 8.21 N ATOM 0 H GLN A 38 21.293 3.548 -32.605 1.00 9.21 H new ATOM 0 HA GLN A 38 22.266 5.579 -34.489 1.00 8.88 H new ATOM 0 HB2 GLN A 38 20.696 4.755 -35.828 1.00 8.51 H new ATOM 0 HB3 GLN A 38 20.495 3.456 -34.669 1.00 8.51 H new ATOM 0 HG2 GLN A 38 18.887 6.017 -34.814 1.00 8.11 H new ATOM 0 HG3 GLN A 38 18.345 4.410 -35.259 1.00 8.11 H new ATOM 0 HE21 GLN A 38 19.609 3.043 -32.998 1.00 8.21 H new ATOM 0 HE22 GLN A 38 18.641 3.465 -31.581 1.00 8.21 H new ATOM 558 N ARG A 39 20.351 7.387 -33.856 1.00 8.53 N ATOM 559 CA ARG A 39 19.617 8.484 -33.248 1.00 8.21 C ATOM 560 C ARG A 39 18.424 8.876 -34.119 1.00 8.04 C ATOM 561 O ARG A 39 18.603 9.431 -35.202 1.00 8.70 O ATOM 562 CB ARG A 39 20.544 9.690 -33.069 1.00 8.96 C ATOM 563 CG ARG A 39 19.919 10.872 -32.342 1.00 8.86 C ATOM 564 CD ARG A 39 20.029 10.737 -30.835 1.00 9.10 C ATOM 565 NE ARG A 39 19.563 11.944 -30.156 1.00 10.02 N ATOM 566 CZ ARG A 39 20.031 12.375 -28.986 1.00 10.60 C ATOM 567 NH1 ARG A 39 20.924 11.654 -28.316 1.00 10.42 N1+ ATOM 568 NH2 ARG A 39 19.592 13.519 -28.478 1.00 11.51 N ATOM 0 H ARG A 39 20.422 7.435 -34.872 1.00 8.53 H new ATOM 0 HA ARG A 39 19.249 8.161 -32.274 1.00 8.21 H new ATOM 0 HB2 ARG A 39 21.430 9.371 -32.520 1.00 8.96 H new ATOM 0 HB3 ARG A 39 20.880 10.022 -34.052 1.00 8.96 H new ATOM 0 HG2 ARG A 39 20.408 11.793 -32.660 1.00 8.86 H new ATOM 0 HG3 ARG A 39 18.869 10.956 -32.623 1.00 8.86 H new ATOM 0 HD2 ARG A 39 19.443 9.881 -30.501 1.00 9.10 H new ATOM 0 HD3 ARG A 39 21.065 10.540 -30.560 1.00 9.10 H new ATOM 0 HE ARG A 39 18.831 12.492 -30.608 1.00 10.02 H new ATOM 0 HH11 ARG A 39 21.253 10.767 -28.698 1.00 10.42 H new ATOM 0 HH12 ARG A 39 21.280 11.987 -27.420 1.00 10.42 H new ATOM 0 HH21 ARG A 39 18.896 14.068 -28.983 1.00 11.51 H new ATOM 0 HH22 ARG A 39 19.950 13.850 -27.582 1.00 11.51 H new ATOM 582 N PHE A 40 17.209 8.571 -33.678 1.00 7.31 N ATOM 583 CA PHE A 40 16.043 9.101 -34.362 1.00 7.34 C ATOM 584 C PHE A 40 15.566 10.339 -33.639 1.00 7.47 C ATOM 585 O PHE A 40 15.218 10.280 -32.467 1.00 7.06 O ATOM 586 CB PHE A 40 14.921 8.072 -34.455 1.00 6.76 C ATOM 587 CG PHE A 40 15.231 6.937 -35.380 1.00 6.92 C ATOM 588 CD1 PHE A 40 14.988 7.051 -36.734 1.00 7.27 C ATOM 589 CD2 PHE A 40 15.772 5.759 -34.894 1.00 6.93 C ATOM 590 CE1 PHE A 40 15.280 6.011 -37.594 1.00 7.50 C ATOM 591 CE2 PHE A 40 16.063 4.714 -35.748 1.00 7.26 C ATOM 592 CZ PHE A 40 15.798 4.824 -37.088 1.00 7.49 C ATOM 0 H PHE A 40 17.011 7.977 -32.873 1.00 7.31 H new ATOM 0 HA PHE A 40 16.328 9.354 -35.383 1.00 7.34 H new ATOM 0 HB2 PHE A 40 14.718 7.675 -33.460 1.00 6.76 H new ATOM 0 HB3 PHE A 40 14.011 8.568 -34.792 1.00 6.76 H new ATOM 0 HD1 PHE A 40 14.565 7.964 -37.125 1.00 7.27 H new ATOM 0 HD2 PHE A 40 15.968 5.657 -33.837 1.00 6.93 H new ATOM 0 HE1 PHE A 40 15.107 6.119 -38.655 1.00 7.50 H new ATOM 0 HE2 PHE A 40 16.501 3.807 -35.359 1.00 7.26 H new ATOM 0 HZ PHE A 40 15.991 3.992 -37.749 1.00 7.49 H new ATOM 602 N ASP A 41 15.534 11.452 -34.355 1.00 8.18 N ATOM 603 CA ASP A 41 15.233 12.746 -33.757 1.00 8.62 C ATOM 604 C ASP A 41 13.830 12.741 -33.181 1.00 8.07 C ATOM 605 O ASP A 41 13.569 13.338 -32.137 1.00 8.18 O ATOM 606 CB ASP A 41 15.350 13.846 -34.819 1.00 9.62 C ATOM 607 CG ASP A 41 16.754 13.975 -35.380 1.00 10.23 C ATOM 608 OD1 ASP A 41 17.075 13.287 -36.374 1.00 10.61 O ATOM 609 OD2 ASP A 41 17.549 14.765 -34.827 1.00 10.48 O1- ATOM 0 H ASP A 41 15.714 11.486 -35.358 1.00 8.18 H new ATOM 0 HA ASP A 41 15.945 12.939 -32.955 1.00 8.62 H new ATOM 0 HB2 ASP A 41 14.657 13.634 -35.633 1.00 9.62 H new ATOM 0 HB3 ASP A 41 15.049 14.799 -34.383 1.00 9.62 H new ATOM 614 N LYS A 42 12.936 12.041 -33.853 1.00 7.60 N ATOM 615 CA LYS A 42 11.538 12.046 -33.477 1.00 7.23 C ATOM 616 C LYS A 42 10.881 10.703 -33.788 1.00 6.69 C ATOM 617 O LYS A 42 11.267 9.991 -34.718 1.00 6.78 O ATOM 618 CB LYS A 42 10.830 13.196 -34.211 1.00 8.14 C ATOM 619 CG LYS A 42 11.180 13.318 -35.689 1.00 8.90 C ATOM 620 CD LYS A 42 10.456 12.293 -36.555 1.00 9.77 C ATOM 621 CE LYS A 42 8.955 12.542 -36.596 1.00 10.52 C ATOM 622 NZ LYS A 42 8.252 11.539 -37.437 1.00 10.91 N1+ ATOM 0 H LYS A 42 13.155 11.461 -34.663 1.00 7.60 H new ATOM 0 HA LYS A 42 11.452 12.200 -32.401 1.00 7.23 H new ATOM 0 HB2 LYS A 42 9.753 13.061 -34.117 1.00 8.14 H new ATOM 0 HB3 LYS A 42 11.078 14.134 -33.714 1.00 8.14 H new ATOM 0 HG2 LYS A 42 10.930 14.321 -36.035 1.00 8.90 H new ATOM 0 HG3 LYS A 42 12.256 13.197 -35.814 1.00 8.90 H new ATOM 0 HD2 LYS A 42 10.857 12.326 -37.568 1.00 9.77 H new ATOM 0 HD3 LYS A 42 10.647 11.292 -36.169 1.00 9.77 H new ATOM 0 HE2 LYS A 42 8.554 12.512 -35.583 1.00 10.52 H new ATOM 0 HE3 LYS A 42 8.763 13.542 -36.986 1.00 10.52 H new ATOM 0 HZ1 LYS A 42 7.378 11.956 -37.817 1.00 10.91 H new ATOM 0 HZ2 LYS A 42 8.869 11.251 -38.223 1.00 10.91 H new ATOM 0 HZ3 LYS A 42 8.016 10.707 -36.860 1.00 10.91 H new ATOM 636 N PRO A 43 9.875 10.363 -32.958 1.00 6.27 N ATOM 637 CA PRO A 43 9.119 9.099 -33.006 1.00 6.04 C ATOM 638 C PRO A 43 8.536 8.777 -34.375 1.00 6.80 C ATOM 639 O PRO A 43 8.051 9.664 -35.078 1.00 7.51 O ATOM 640 CB PRO A 43 7.978 9.319 -31.995 1.00 6.00 C ATOM 641 CG PRO A 43 7.951 10.795 -31.778 1.00 6.35 C ATOM 642 CD PRO A 43 9.384 11.213 -31.870 1.00 6.19 C ATOM 0 HA PRO A 43 9.772 8.256 -32.781 1.00 6.04 H new ATOM 0 HB2 PRO A 43 7.027 8.958 -32.385 1.00 6.00 H new ATOM 0 HB3 PRO A 43 8.164 8.784 -31.064 1.00 6.00 H new ATOM 0 HG2 PRO A 43 7.342 11.296 -32.531 1.00 6.35 H new ATOM 0 HG3 PRO A 43 7.526 11.046 -30.806 1.00 6.35 H new ATOM 0 HD2 PRO A 43 9.487 12.273 -32.101 1.00 6.19 H new ATOM 0 HD3 PRO A 43 9.922 11.036 -30.939 1.00 6.19 H new ATOM 650 N GLY A 44 8.555 7.497 -34.725 1.00 6.81 N ATOM 651 CA GLY A 44 7.994 7.048 -35.984 1.00 7.59 C ATOM 652 C GLY A 44 8.162 5.552 -36.168 1.00 7.56 C ATOM 653 O GLY A 44 8.300 4.817 -35.188 1.00 7.08 O ATOM 0 H GLY A 44 8.954 6.754 -34.151 1.00 6.81 H new ATOM 0 HA2 GLY A 44 6.935 7.303 -36.023 1.00 7.59 H new ATOM 0 HA3 GLY A 44 8.479 7.573 -36.807 1.00 7.59 H new ATOM 657 N LYS A 45 8.154 5.106 -37.415 1.00 8.20 N ATOM 658 CA LYS A 45 8.378 3.706 -37.737 1.00 8.37 C ATOM 659 C LYS A 45 9.831 3.515 -38.141 1.00 8.15 C ATOM 660 O LYS A 45 10.427 4.389 -38.769 1.00 8.27 O ATOM 661 CB LYS A 45 7.460 3.278 -38.872 1.00 9.30 C ATOM 662 CG LYS A 45 7.348 1.770 -39.054 1.00 9.65 C ATOM 663 CD LYS A 45 7.092 1.437 -40.491 1.00 10.42 C ATOM 664 CE LYS A 45 5.808 2.052 -41.010 1.00 11.07 C ATOM 665 NZ LYS A 45 5.599 1.735 -42.446 1.00 11.68 N1+ ATOM 0 H LYS A 45 7.993 5.701 -38.228 1.00 8.20 H new ATOM 0 HA LYS A 45 8.159 3.092 -36.864 1.00 8.37 H new ATOM 0 HB2 LYS A 45 6.465 3.685 -38.692 1.00 9.30 H new ATOM 0 HB3 LYS A 45 7.821 3.718 -39.801 1.00 9.30 H new ATOM 0 HG2 LYS A 45 8.267 1.287 -38.720 1.00 9.65 H new ATOM 0 HG3 LYS A 45 6.540 1.381 -38.434 1.00 9.65 H new ATOM 0 HD2 LYS A 45 7.929 1.786 -41.096 1.00 10.42 H new ATOM 0 HD3 LYS A 45 7.045 0.354 -40.607 1.00 10.42 H new ATOM 0 HE2 LYS A 45 4.964 1.683 -40.427 1.00 11.07 H new ATOM 0 HE3 LYS A 45 5.840 3.133 -40.875 1.00 11.07 H new ATOM 0 HZ1 LYS A 45 4.585 1.796 -42.671 1.00 11.68 H new ATOM 0 HZ2 LYS A 45 6.125 2.415 -43.032 1.00 11.68 H new ATOM 0 HZ3 LYS A 45 5.940 0.772 -42.642 1.00 11.68 H new ATOM 679 N SER A 46 10.400 2.386 -37.762 1.00 8.03 N ATOM 680 CA SER A 46 11.780 2.081 -38.082 1.00 7.98 C ATOM 681 C SER A 46 11.954 1.890 -39.590 1.00 8.64 C ATOM 682 O SER A 46 11.150 1.221 -40.239 1.00 9.20 O ATOM 683 CB SER A 46 12.214 0.823 -37.321 1.00 8.03 C ATOM 684 OG SER A 46 13.583 0.515 -37.532 1.00 8.36 O ATOM 0 H SER A 46 9.922 1.660 -37.228 1.00 8.03 H new ATOM 0 HA SER A 46 12.411 2.916 -37.777 1.00 7.98 H new ATOM 0 HB2 SER A 46 12.035 0.965 -36.255 1.00 8.03 H new ATOM 0 HB3 SER A 46 11.601 -0.021 -37.637 1.00 8.03 H new ATOM 0 HG SER A 46 13.875 -0.146 -36.870 1.00 8.36 H new ATOM 690 N PRO A 47 12.979 2.525 -40.174 1.00 8.70 N ATOM 691 CA PRO A 47 13.338 2.322 -41.581 1.00 9.38 C ATOM 692 C PRO A 47 13.919 0.933 -41.814 1.00 9.63 C ATOM 693 O PRO A 47 13.784 0.347 -42.889 1.00 10.25 O ATOM 694 CB PRO A 47 14.397 3.398 -41.837 1.00 9.45 C ATOM 695 CG PRO A 47 14.974 3.690 -40.497 1.00 8.81 C ATOM 696 CD PRO A 47 13.844 3.521 -39.521 1.00 8.26 C ATOM 0 HA PRO A 47 12.477 2.395 -42.246 1.00 9.38 H new ATOM 0 HB2 PRO A 47 15.162 3.044 -42.528 1.00 9.45 H new ATOM 0 HB3 PRO A 47 13.955 4.290 -42.280 1.00 9.45 H new ATOM 0 HG2 PRO A 47 15.794 3.010 -40.268 1.00 8.81 H new ATOM 0 HG3 PRO A 47 15.378 4.702 -40.457 1.00 8.81 H new ATOM 0 HD2 PRO A 47 14.199 3.172 -38.551 1.00 8.26 H new ATOM 0 HD3 PRO A 47 13.318 4.460 -39.349 1.00 8.26 H new ATOM 704 N TYR A 48 14.557 0.416 -40.764 1.00 9.26 N ATOM 705 CA TYR A 48 15.238 -0.864 -40.811 1.00 9.61 C ATOM 706 C TYR A 48 14.233 -2.001 -40.903 1.00 9.96 C ATOM 707 O TYR A 48 14.480 -3.003 -41.567 1.00 10.49 O ATOM 708 CB TYR A 48 16.113 -1.035 -39.580 1.00 9.34 C ATOM 709 CG TYR A 48 17.285 -0.081 -39.510 1.00 9.17 C ATOM 710 CD1 TYR A 48 18.479 -0.372 -40.154 1.00 9.63 C ATOM 711 CD2 TYR A 48 17.203 1.100 -38.782 1.00 8.69 C ATOM 712 CE1 TYR A 48 19.560 0.485 -40.078 1.00 9.70 C ATOM 713 CE2 TYR A 48 18.283 1.963 -38.697 1.00 8.75 C ATOM 714 CZ TYR A 48 19.459 1.650 -39.346 1.00 9.30 C ATOM 715 OH TYR A 48 20.535 2.504 -39.262 1.00 9.57 O ATOM 0 H TYR A 48 14.612 0.880 -39.857 1.00 9.26 H new ATOM 0 HA TYR A 48 15.869 -0.889 -41.700 1.00 9.61 H new ATOM 0 HB2 TYR A 48 15.498 -0.902 -38.690 1.00 9.34 H new ATOM 0 HB3 TYR A 48 16.490 -2.057 -39.556 1.00 9.34 H new ATOM 0 HD1 TYR A 48 18.565 -1.285 -40.725 1.00 9.63 H new ATOM 0 HD2 TYR A 48 16.283 1.349 -38.275 1.00 8.69 H new ATOM 0 HE1 TYR A 48 20.480 0.244 -40.589 1.00 9.70 H new ATOM 0 HE2 TYR A 48 18.205 2.876 -38.126 1.00 8.75 H new ATOM 0 HH TYR A 48 20.296 3.278 -38.710 1.00 9.57 H new ATOM 725 N MET A 49 13.117 -1.854 -40.199 1.00 9.74 N ATOM 726 CA MET A 49 11.987 -2.752 -40.363 1.00 10.23 C ATOM 727 C MET A 49 10.707 -2.057 -39.904 1.00 10.20 C ATOM 728 O MET A 49 10.764 -1.177 -39.050 1.00 9.87 O ATOM 729 CB MET A 49 12.194 -4.052 -39.605 1.00 10.28 C ATOM 730 CG MET A 49 12.047 -3.881 -38.127 1.00 10.38 C ATOM 731 SD MET A 49 13.460 -4.497 -37.208 1.00 10.09 S ATOM 732 CE MET A 49 14.616 -3.183 -37.545 1.00 9.55 C ATOM 0 H MET A 49 12.973 -1.118 -39.508 1.00 9.74 H new ATOM 0 HA MET A 49 11.899 -3.004 -41.420 1.00 10.23 H new ATOM 0 HB2 MET A 49 11.475 -4.792 -39.955 1.00 10.28 H new ATOM 0 HB3 MET A 49 13.187 -4.444 -39.825 1.00 10.28 H new ATOM 0 HG2 MET A 49 11.906 -2.824 -37.901 1.00 10.38 H new ATOM 0 HG3 MET A 49 11.149 -4.401 -37.794 1.00 10.38 H new ATOM 0 HE1 MET A 49 15.294 -3.069 -36.699 1.00 9.55 H new ATOM 0 HE2 MET A 49 15.190 -3.424 -38.440 1.00 9.55 H new ATOM 0 HE3 MET A 49 14.072 -2.251 -37.702 1.00 9.55 H new ATOM 742 N ASP A 50 9.561 -2.455 -40.440 1.00 10.69 N ATOM 743 CA ASP A 50 8.303 -1.754 -40.166 1.00 10.83 C ATOM 744 C ASP A 50 7.769 -2.041 -38.765 1.00 10.64 C ATOM 745 O ASP A 50 6.841 -2.831 -38.587 1.00 11.23 O ATOM 746 CB ASP A 50 7.231 -2.130 -41.189 1.00 11.76 C ATOM 747 CG ASP A 50 7.503 -1.609 -42.585 1.00 12.21 C ATOM 748 OD1 ASP A 50 8.344 -2.198 -43.295 1.00 12.33 O1- ATOM 749 OD2 ASP A 50 6.856 -0.617 -42.995 1.00 12.54 O ATOM 0 H ASP A 50 9.471 -3.256 -41.065 1.00 10.69 H new ATOM 0 HA ASP A 50 8.528 -0.690 -40.238 1.00 10.83 H new ATOM 0 HB2 ASP A 50 7.145 -3.216 -41.228 1.00 11.76 H new ATOM 0 HB3 ASP A 50 6.269 -1.746 -40.850 1.00 11.76 H new ATOM 754 N MET A 51 8.379 -1.419 -37.780 1.00 9.87 N ATOM 755 CA MET A 51 7.844 -1.391 -36.426 1.00 9.64 C ATOM 756 C MET A 51 8.068 -0.016 -35.852 1.00 8.84 C ATOM 757 O MET A 51 9.072 0.628 -36.156 1.00 8.36 O ATOM 758 CB MET A 51 8.492 -2.440 -35.514 1.00 9.70 C ATOM 759 CG MET A 51 10.003 -2.394 -35.464 1.00 9.43 C ATOM 760 SD MET A 51 10.655 -3.451 -34.162 1.00 9.38 S ATOM 761 CE MET A 51 10.932 -2.268 -32.847 1.00 9.04 C ATOM 0 H MET A 51 9.260 -0.917 -37.890 1.00 9.87 H new ATOM 0 HA MET A 51 6.781 -1.628 -36.478 1.00 9.64 H new ATOM 0 HB2 MET A 51 8.105 -2.310 -34.503 1.00 9.70 H new ATOM 0 HB3 MET A 51 8.184 -3.431 -35.848 1.00 9.70 H new ATOM 0 HG2 MET A 51 10.409 -2.708 -36.426 1.00 9.43 H new ATOM 0 HG3 MET A 51 10.331 -1.368 -35.299 1.00 9.43 H new ATOM 0 HE1 MET A 51 11.465 -2.752 -32.029 1.00 9.04 H new ATOM 0 HE2 MET A 51 11.526 -1.436 -33.225 1.00 9.04 H new ATOM 0 HE3 MET A 51 9.974 -1.895 -32.485 1.00 9.04 H new ATOM 771 N PRO A 52 7.132 0.464 -35.030 1.00 8.77 N ATOM 772 CA PRO A 52 7.251 1.776 -34.420 1.00 8.04 C ATOM 773 C PRO A 52 8.420 1.801 -33.456 1.00 7.35 C ATOM 774 O PRO A 52 8.571 0.893 -32.637 1.00 7.56 O ATOM 775 CB PRO A 52 5.921 1.973 -33.676 1.00 8.35 C ATOM 776 CG PRO A 52 5.016 0.903 -34.193 1.00 9.16 C ATOM 777 CD PRO A 52 5.909 -0.230 -34.607 1.00 9.51 C ATOM 0 HA PRO A 52 7.434 2.566 -35.149 1.00 8.04 H new ATOM 0 HB2 PRO A 52 6.057 1.886 -32.598 1.00 8.35 H new ATOM 0 HB3 PRO A 52 5.507 2.963 -33.866 1.00 8.35 H new ATOM 0 HG2 PRO A 52 4.311 0.584 -33.425 1.00 9.16 H new ATOM 0 HG3 PRO A 52 4.427 1.264 -35.036 1.00 9.16 H new ATOM 0 HD2 PRO A 52 6.098 -0.919 -33.784 1.00 9.51 H new ATOM 0 HD3 PRO A 52 5.473 -0.814 -35.418 1.00 9.51 H new ATOM 785 N LEU A 53 9.246 2.828 -33.562 1.00 6.71 N ATOM 786 CA LEU A 53 10.434 2.927 -32.732 1.00 6.20 C ATOM 787 C LEU A 53 10.047 2.989 -31.261 1.00 5.97 C ATOM 788 O LEU A 53 8.908 3.320 -30.927 1.00 6.05 O ATOM 789 CB LEU A 53 11.274 4.141 -33.136 1.00 5.79 C ATOM 790 CG LEU A 53 11.699 4.149 -34.603 1.00 6.23 C ATOM 791 CD1 LEU A 53 12.091 5.545 -35.047 1.00 6.10 C ATOM 792 CD2 LEU A 53 12.854 3.186 -34.817 1.00 6.57 C ATOM 0 H LEU A 53 9.116 3.603 -34.213 1.00 6.71 H new ATOM 0 HA LEU A 53 11.043 2.036 -32.884 1.00 6.20 H new ATOM 0 HB2 LEU A 53 10.705 5.047 -32.929 1.00 5.79 H new ATOM 0 HB3 LEU A 53 12.166 4.176 -32.511 1.00 5.79 H new ATOM 0 HG LEU A 53 10.850 3.827 -35.207 1.00 6.23 H new ATOM 0 HD11 LEU A 53 12.389 5.523 -36.095 1.00 6.10 H new ATOM 0 HD12 LEU A 53 11.242 6.217 -34.926 1.00 6.10 H new ATOM 0 HD13 LEU A 53 12.924 5.899 -34.440 1.00 6.10 H new ATOM 0 HD21 LEU A 53 13.149 3.199 -35.866 1.00 6.57 H new ATOM 0 HD22 LEU A 53 13.699 3.488 -34.198 1.00 6.57 H new ATOM 0 HD23 LEU A 53 12.544 2.178 -34.540 1.00 6.57 H new ATOM 804 N ILE A 54 10.977 2.679 -30.385 1.00 5.92 N ATOM 805 CA ILE A 54 10.675 2.634 -28.970 1.00 5.98 C ATOM 806 C ILE A 54 11.241 3.853 -28.282 1.00 5.33 C ATOM 807 O ILE A 54 12.388 4.245 -28.525 1.00 5.16 O ATOM 808 CB ILE A 54 11.226 1.358 -28.311 1.00 6.77 C ATOM 809 CG1 ILE A 54 10.591 0.132 -28.972 1.00 7.56 C ATOM 810 CG2 ILE A 54 10.967 1.358 -26.806 1.00 7.04 C ATOM 811 CD1 ILE A 54 10.706 -1.137 -28.157 1.00 7.89 C ATOM 0 H ILE A 54 11.943 2.456 -30.624 1.00 5.92 H new ATOM 0 HA ILE A 54 9.590 2.624 -28.862 1.00 5.98 H new ATOM 0 HB ILE A 54 12.306 1.325 -28.455 1.00 6.77 H new ATOM 0 HG12 ILE A 54 9.537 0.338 -29.158 1.00 7.56 H new ATOM 0 HG13 ILE A 54 11.060 -0.028 -29.943 1.00 7.56 H new ATOM 0 HG21 ILE A 54 11.368 0.444 -26.368 1.00 7.04 H new ATOM 0 HG22 ILE A 54 11.454 2.221 -26.353 1.00 7.04 H new ATOM 0 HG23 ILE A 54 9.894 1.409 -26.621 1.00 7.04 H new ATOM 0 HD11 ILE A 54 10.232 -1.959 -28.694 1.00 7.89 H new ATOM 0 HD12 ILE A 54 11.758 -1.370 -27.993 1.00 7.89 H new ATOM 0 HD13 ILE A 54 10.211 -0.998 -27.196 1.00 7.89 H new ATOM 823 N PRO A 55 10.438 4.489 -27.439 1.00 5.13 N ATOM 824 CA PRO A 55 10.873 5.655 -26.709 1.00 4.65 C ATOM 825 C PRO A 55 11.755 5.301 -25.521 1.00 5.10 C ATOM 826 O PRO A 55 11.676 4.208 -24.957 1.00 5.77 O ATOM 827 CB PRO A 55 9.561 6.291 -26.269 1.00 4.51 C ATOM 828 CG PRO A 55 8.621 5.149 -26.116 1.00 5.22 C ATOM 829 CD PRO A 55 9.030 4.137 -27.150 1.00 5.58 C ATOM 0 HA PRO A 55 11.494 6.319 -27.310 1.00 4.65 H new ATOM 0 HB2 PRO A 55 9.679 6.835 -25.332 1.00 4.51 H new ATOM 0 HB3 PRO A 55 9.199 7.005 -27.009 1.00 4.51 H new ATOM 0 HG2 PRO A 55 8.679 4.727 -25.113 1.00 5.22 H new ATOM 0 HG3 PRO A 55 7.590 5.469 -26.269 1.00 5.22 H new ATOM 0 HD2 PRO A 55 8.940 3.118 -26.772 1.00 5.58 H new ATOM 0 HD3 PRO A 55 8.408 4.202 -28.043 1.00 5.58 H new ATOM 837 N VAL A 56 12.617 6.235 -25.184 1.00 5.00 N ATOM 838 CA VAL A 56 13.579 6.076 -24.107 1.00 5.69 C ATOM 839 C VAL A 56 12.923 6.179 -22.733 1.00 5.96 C ATOM 840 O VAL A 56 11.877 6.797 -22.573 1.00 5.52 O ATOM 841 CB VAL A 56 14.678 7.137 -24.225 1.00 5.77 C ATOM 842 CG1 VAL A 56 15.455 6.981 -25.524 1.00 5.82 C ATOM 843 CG2 VAL A 56 14.050 8.503 -24.127 1.00 5.28 C ATOM 0 H VAL A 56 12.673 7.139 -25.654 1.00 5.00 H new ATOM 0 HA VAL A 56 14.009 5.079 -24.201 1.00 5.69 H new ATOM 0 HB VAL A 56 15.391 7.009 -23.411 1.00 5.77 H new ATOM 0 HG11 VAL A 56 16.228 7.747 -25.580 1.00 5.82 H new ATOM 0 HG12 VAL A 56 15.919 5.995 -25.554 1.00 5.82 H new ATOM 0 HG13 VAL A 56 14.776 7.089 -26.370 1.00 5.82 H new ATOM 0 HG21 VAL A 56 14.824 9.266 -24.210 1.00 5.28 H new ATOM 0 HG22 VAL A 56 13.327 8.630 -24.933 1.00 5.28 H new ATOM 0 HG23 VAL A 56 13.544 8.603 -23.167 1.00 5.28 H new ATOM 853 N TYR A 57 13.620 5.596 -21.773 1.00 6.83 N ATOM 854 CA TYR A 57 13.239 5.462 -20.352 1.00 7.44 C ATOM 855 C TYR A 57 11.770 5.751 -20.028 1.00 7.10 C ATOM 856 O TYR A 57 10.972 4.820 -19.948 1.00 7.48 O ATOM 857 CB TYR A 57 14.158 6.342 -19.501 1.00 7.84 C ATOM 858 CG TYR A 57 14.879 7.409 -20.308 1.00 7.40 C ATOM 859 CD1 TYR A 57 14.312 8.656 -20.517 1.00 6.79 C ATOM 860 CD2 TYR A 57 16.118 7.155 -20.877 1.00 7.77 C ATOM 861 CE1 TYR A 57 14.956 9.619 -21.258 1.00 6.66 C ATOM 862 CE2 TYR A 57 16.774 8.116 -21.622 1.00 7.62 C ATOM 863 CZ TYR A 57 16.190 9.349 -21.807 1.00 7.11 C ATOM 864 OH TYR A 57 16.832 10.307 -22.556 1.00 7.23 O ATOM 0 H TYR A 57 14.528 5.172 -21.964 1.00 6.83 H new ATOM 0 HA TYR A 57 13.363 4.406 -20.112 1.00 7.44 H new ATOM 0 HB2 TYR A 57 13.569 6.822 -18.720 1.00 7.84 H new ATOM 0 HB3 TYR A 57 14.895 5.712 -19.003 1.00 7.84 H new ATOM 0 HD1 TYR A 57 13.345 8.876 -20.089 1.00 6.79 H new ATOM 0 HD2 TYR A 57 16.578 6.188 -20.735 1.00 7.77 H new ATOM 0 HE1 TYR A 57 14.496 10.584 -21.409 1.00 6.66 H new ATOM 0 HE2 TYR A 57 17.739 7.901 -22.057 1.00 7.62 H new ATOM 0 HH TYR A 57 17.692 9.956 -22.869 1.00 7.23 H new ATOM 874 N GLU A 58 11.431 7.009 -19.799 1.00 6.59 N ATOM 875 CA GLU A 58 10.077 7.402 -19.409 1.00 6.41 C ATOM 876 C GLU A 58 9.055 6.841 -20.396 1.00 6.15 C ATOM 877 O GLU A 58 8.016 6.315 -19.986 1.00 6.62 O ATOM 878 CB GLU A 58 10.037 8.916 -19.374 1.00 5.89 C ATOM 879 CG GLU A 58 9.321 9.586 -20.512 1.00 5.18 C ATOM 880 CD GLU A 58 9.174 11.066 -20.245 1.00 5.25 C ATOM 881 OE1 GLU A 58 8.720 11.427 -19.150 1.00 5.25 O ATOM 882 OE2 GLU A 58 9.492 11.869 -21.149 1.00 5.61 O1- ATOM 0 H GLU A 58 12.083 7.790 -19.877 1.00 6.59 H new ATOM 0 HA GLU A 58 9.823 7.001 -18.428 1.00 6.41 H new ATOM 0 HB2 GLU A 58 9.564 9.225 -18.442 1.00 5.89 H new ATOM 0 HB3 GLU A 58 11.062 9.286 -19.349 1.00 5.89 H new ATOM 0 HG2 GLU A 58 9.873 9.431 -21.439 1.00 5.18 H new ATOM 0 HG3 GLU A 58 8.338 9.135 -20.647 1.00 5.18 H new ATOM 889 N GLU A 59 9.384 6.914 -21.668 1.00 5.59 N ATOM 890 CA GLU A 59 8.553 6.369 -22.733 1.00 5.52 C ATOM 891 C GLU A 59 7.235 7.132 -22.897 1.00 5.43 C ATOM 892 O GLU A 59 6.202 6.786 -22.308 1.00 6.06 O ATOM 893 CB GLU A 59 8.284 4.875 -22.516 1.00 6.40 C ATOM 894 CG GLU A 59 9.534 4.011 -22.600 1.00 6.94 C ATOM 895 CD GLU A 59 9.254 2.550 -22.320 1.00 7.89 C ATOM 896 OE1 GLU A 59 8.070 2.152 -22.341 1.00 8.12 O ATOM 897 OE2 GLU A 59 10.216 1.790 -22.079 1.00 8.58 O1- ATOM 0 H GLU A 59 10.241 7.356 -22.000 1.00 5.59 H new ATOM 0 HA GLU A 59 9.116 6.492 -23.658 1.00 5.52 H new ATOM 0 HB2 GLU A 59 7.822 4.736 -21.539 1.00 6.40 H new ATOM 0 HB3 GLU A 59 7.565 4.532 -23.260 1.00 6.40 H new ATOM 0 HG2 GLU A 59 9.972 4.109 -23.593 1.00 6.94 H new ATOM 0 HG3 GLU A 59 10.273 4.378 -21.888 1.00 6.94 H new ATOM 1187 N ARG A 80 2.719 4.379 -5.908 1.00 8.26 N ATOM 1188 CA ARG A 80 3.431 3.128 -5.701 1.00 8.04 C ATOM 1189 C ARG A 80 4.467 3.325 -4.603 1.00 7.16 C ATOM 1190 O ARG A 80 5.213 4.302 -4.620 1.00 6.61 O ATOM 1191 CB ARG A 80 4.122 2.714 -7.002 1.00 8.39 C ATOM 1192 CG ARG A 80 4.491 1.241 -7.067 1.00 8.96 C ATOM 1193 CD ARG A 80 3.252 0.357 -7.066 1.00 9.63 C ATOM 1194 NE ARG A 80 3.575 -1.049 -7.288 1.00 10.25 N ATOM 1195 CZ ARG A 80 2.700 -1.957 -7.723 1.00 10.94 C ATOM 1196 NH1 ARG A 80 1.447 -1.604 -7.991 1.00 11.11 N1+ ATOM 1197 NH2 ARG A 80 3.083 -3.214 -7.900 1.00 11.64 N ATOM 0 HA ARG A 80 2.732 2.346 -5.406 1.00 8.04 H new ATOM 0 HB2 ARG A 80 3.467 2.951 -7.840 1.00 8.39 H new ATOM 0 HB3 ARG A 80 5.026 3.310 -7.126 1.00 8.39 H new ATOM 0 HG2 ARG A 80 5.075 1.050 -7.967 1.00 8.96 H new ATOM 0 HG3 ARG A 80 5.123 0.985 -6.217 1.00 8.96 H new ATOM 0 HD2 ARG A 80 2.734 0.462 -6.113 1.00 9.63 H new ATOM 0 HD3 ARG A 80 2.565 0.697 -7.841 1.00 9.63 H new ATOM 0 HE ARG A 80 4.529 -1.356 -7.099 1.00 10.25 H new ATOM 0 HH11 ARG A 80 1.152 -0.636 -7.864 1.00 11.11 H new ATOM 0 HH12 ARG A 80 0.781 -2.301 -8.323 1.00 11.11 H new ATOM 0 HH21 ARG A 80 4.046 -3.486 -7.704 1.00 11.64 H new ATOM 0 HH22 ARG A 80 2.414 -3.909 -8.233 1.00 11.64 H new ATOM 1211 N THR A 81 4.501 2.409 -3.651 1.00 7.24 N ATOM 1212 CA THR A 81 5.354 2.538 -2.483 1.00 6.59 C ATOM 1213 C THR A 81 6.156 1.267 -2.262 1.00 6.82 C ATOM 1214 O THR A 81 5.696 0.172 -2.585 1.00 7.73 O ATOM 1215 CB THR A 81 4.522 2.825 -1.215 1.00 6.98 C ATOM 1216 OG1 THR A 81 3.474 1.853 -1.091 1.00 8.00 O ATOM 1217 CG2 THR A 81 3.919 4.219 -1.254 1.00 7.05 C ATOM 0 H THR A 81 3.940 1.557 -3.666 1.00 7.24 H new ATOM 0 HA THR A 81 6.030 3.373 -2.667 1.00 6.59 H new ATOM 0 HB THR A 81 5.188 2.764 -0.354 1.00 6.98 H new ATOM 0 HG1 THR A 81 3.271 1.710 -0.143 1.00 8.00 H new ATOM 0 HG21 THR A 81 3.339 4.390 -0.347 1.00 7.05 H new ATOM 0 HG22 THR A 81 4.717 4.959 -1.320 1.00 7.05 H new ATOM 0 HG23 THR A 81 3.268 4.310 -2.123 1.00 7.05 H new ATOM 1225 N ALA A 82 7.353 1.422 -1.726 1.00 6.18 N ATOM 1226 CA ALA A 82 8.190 0.290 -1.378 1.00 6.65 C ATOM 1227 C ALA A 82 8.544 0.358 0.097 1.00 6.65 C ATOM 1228 O ALA A 82 8.850 1.430 0.620 1.00 5.88 O ATOM 1229 CB ALA A 82 9.452 0.270 -2.233 1.00 6.36 C ATOM 0 H ALA A 82 7.770 2.330 -1.521 1.00 6.18 H new ATOM 0 HA ALA A 82 7.641 -0.632 -1.572 1.00 6.65 H new ATOM 0 HB1 ALA A 82 10.066 -0.587 -1.956 1.00 6.36 H new ATOM 0 HB2 ALA A 82 9.177 0.195 -3.285 1.00 6.36 H new ATOM 0 HB3 ALA A 82 10.016 1.188 -2.070 1.00 6.36 H new ATOM 1235 N GLU A 83 8.462 -0.776 0.770 1.00 7.70 N ATOM 1236 CA GLU A 83 8.799 -0.854 2.174 1.00 8.10 C ATOM 1237 C GLU A 83 10.314 -0.851 2.352 1.00 7.90 C ATOM 1238 O GLU A 83 11.045 -1.451 1.562 1.00 8.21 O ATOM 1239 CB GLU A 83 8.180 -2.109 2.792 1.00 9.47 C ATOM 1240 CG GLU A 83 8.405 -2.258 4.285 1.00 10.14 C ATOM 1241 CD GLU A 83 7.835 -3.558 4.814 1.00 11.52 C ATOM 1242 OE1 GLU A 83 8.328 -4.633 4.410 1.00 12.06 O1- ATOM 1243 OE2 GLU A 83 6.882 -3.515 5.617 1.00 12.15 O ATOM 0 H GLU A 83 8.162 -1.660 0.360 1.00 7.70 H new ATOM 0 HA GLU A 83 8.394 0.018 2.688 1.00 8.10 H new ATOM 0 HB2 GLU A 83 7.107 -2.101 2.599 1.00 9.47 H new ATOM 0 HB3 GLU A 83 8.588 -2.985 2.288 1.00 9.47 H new ATOM 0 HG2 GLU A 83 9.473 -2.217 4.497 1.00 10.14 H new ATOM 0 HG3 GLU A 83 7.944 -1.420 4.807 1.00 10.14 H new ATOM 1250 N VAL A 84 10.766 -0.158 3.376 1.00 7.58 N ATOM 1251 CA VAL A 84 12.183 -0.052 3.690 1.00 7.50 C ATOM 1252 C VAL A 84 12.760 -1.372 4.150 1.00 8.74 C ATOM 1253 O VAL A 84 12.206 -2.058 5.016 1.00 9.71 O ATOM 1254 CB VAL A 84 12.413 1.023 4.759 1.00 7.28 C ATOM 1255 CG1 VAL A 84 13.877 1.107 5.174 1.00 7.49 C ATOM 1256 CG2 VAL A 84 11.933 2.353 4.227 1.00 6.28 C ATOM 0 H VAL A 84 10.161 0.352 4.020 1.00 7.58 H new ATOM 0 HA VAL A 84 12.699 0.233 2.773 1.00 7.50 H new ATOM 0 HB VAL A 84 11.847 0.754 5.651 1.00 7.28 H new ATOM 0 HG11 VAL A 84 13.996 1.881 5.933 1.00 7.49 H new ATOM 0 HG12 VAL A 84 14.195 0.147 5.581 1.00 7.49 H new ATOM 0 HG13 VAL A 84 14.488 1.353 4.305 1.00 7.49 H new ATOM 0 HG21 VAL A 84 12.092 3.125 4.980 1.00 6.28 H new ATOM 0 HG22 VAL A 84 12.489 2.606 3.325 1.00 6.28 H new ATOM 0 HG23 VAL A 84 10.871 2.289 3.992 1.00 6.28 H new ATOM 1266 N LYS A 85 13.883 -1.711 3.548 1.00 8.82 N ATOM 1267 CA LYS A 85 14.577 -2.950 3.832 1.00 10.03 C ATOM 1268 C LYS A 85 16.014 -2.645 4.167 1.00 10.02 C ATOM 1269 O LYS A 85 16.532 -1.609 3.781 1.00 9.25 O ATOM 1270 CB LYS A 85 14.559 -3.877 2.612 1.00 10.75 C ATOM 1271 CG LYS A 85 13.189 -4.048 2.000 1.00 10.58 C ATOM 1272 CD LYS A 85 12.207 -4.599 3.010 1.00 11.03 C ATOM 1273 CE LYS A 85 10.787 -4.446 2.521 1.00 10.50 C ATOM 1274 NZ LYS A 85 10.556 -5.143 1.226 1.00 11.02 N1+ ATOM 0 H LYS A 85 14.341 -1.131 2.845 1.00 8.82 H new ATOM 0 HA LYS A 85 14.076 -3.441 4.666 1.00 10.03 H new ATOM 0 HB2 LYS A 85 15.238 -3.482 1.856 1.00 10.75 H new ATOM 0 HB3 LYS A 85 14.941 -4.855 2.904 1.00 10.75 H new ATOM 0 HG2 LYS A 85 12.832 -3.088 1.627 1.00 10.58 H new ATOM 0 HG3 LYS A 85 13.251 -4.720 1.144 1.00 10.58 H new ATOM 0 HD2 LYS A 85 12.421 -5.652 3.194 1.00 11.03 H new ATOM 0 HD3 LYS A 85 12.326 -4.079 3.960 1.00 11.03 H new ATOM 0 HE2 LYS A 85 10.102 -4.842 3.271 1.00 10.50 H new ATOM 0 HE3 LYS A 85 10.557 -3.387 2.407 1.00 10.50 H new ATOM 0 HZ1 LYS A 85 9.539 -5.140 1.007 1.00 11.02 H new ATOM 0 HZ2 LYS A 85 11.074 -4.652 0.470 1.00 11.02 H new ATOM 0 HZ3 LYS A 85 10.893 -6.125 1.295 1.00 11.02 H new ATOM 1288 N LEU A 86 16.639 -3.522 4.905 1.00 10.96 N ATOM 1289 CA LEU A 86 18.091 -3.487 5.026 1.00 11.21 C ATOM 1290 C LEU A 86 18.710 -4.355 3.939 1.00 11.85 C ATOM 1291 O LEU A 86 18.015 -5.152 3.307 1.00 12.43 O ATOM 1292 CB LEU A 86 18.580 -3.942 6.403 1.00 12.08 C ATOM 1293 CG LEU A 86 18.316 -2.960 7.544 1.00 11.90 C ATOM 1294 CD1 LEU A 86 16.896 -3.098 8.060 1.00 11.97 C ATOM 1295 CD2 LEU A 86 19.325 -3.159 8.661 1.00 12.76 C ATOM 0 H LEU A 86 16.181 -4.267 5.431 1.00 10.96 H new ATOM 0 HA LEU A 86 18.405 -2.450 4.906 1.00 11.21 H new ATOM 0 HB2 LEU A 86 18.103 -4.892 6.645 1.00 12.08 H new ATOM 0 HB3 LEU A 86 19.652 -4.129 6.347 1.00 12.08 H new ATOM 0 HG LEU A 86 18.432 -1.947 7.158 1.00 11.90 H new ATOM 0 HD11 LEU A 86 16.733 -2.389 8.871 1.00 11.97 H new ATOM 0 HD12 LEU A 86 16.194 -2.893 7.252 1.00 11.97 H new ATOM 0 HD13 LEU A 86 16.739 -4.112 8.428 1.00 11.97 H new ATOM 0 HD21 LEU A 86 19.122 -2.452 9.465 1.00 12.76 H new ATOM 0 HD22 LEU A 86 19.247 -4.176 9.045 1.00 12.76 H new ATOM 0 HD23 LEU A 86 20.331 -2.992 8.276 1.00 12.76 H new ATOM 1307 N GLY A 87 20.007 -4.208 3.717 1.00 11.89 N ATOM 1308 CA GLY A 87 20.661 -5.013 2.703 1.00 12.65 C ATOM 1309 C GLY A 87 22.043 -4.532 2.347 1.00 12.97 C ATOM 1310 O GLY A 87 22.348 -4.304 1.176 1.00 13.25 O ATOM 0 H GLY A 87 20.614 -3.555 4.213 1.00 11.89 H new ATOM 0 HA2 GLY A 87 20.724 -6.043 3.054 1.00 12.65 H new ATOM 0 HA3 GLY A 87 20.045 -5.019 1.804 1.00 12.65 H new ATOM 1389 N GLU A 93 25.158 -1.182 8.565 1.00 12.87 N ATOM 1390 CA GLU A 93 23.749 -1.504 8.419 1.00 12.37 C ATOM 1391 C GLU A 93 23.006 -0.348 7.772 1.00 11.13 C ATOM 1392 O GLU A 93 22.863 0.716 8.368 1.00 10.78 O ATOM 1393 CB GLU A 93 23.132 -1.918 9.746 1.00 13.03 C ATOM 1394 CG GLU A 93 22.764 -3.392 9.778 1.00 13.80 C ATOM 1395 CD GLU A 93 22.455 -3.892 11.169 1.00 14.57 C ATOM 1396 OE1 GLU A 93 21.377 -3.546 11.699 1.00 14.92 O1- ATOM 1397 OE2 GLU A 93 23.289 -4.616 11.745 1.00 14.94 O ATOM 0 HA GLU A 93 23.658 -2.365 7.756 1.00 12.37 H new ATOM 0 HB2 GLU A 93 23.833 -1.704 10.552 1.00 13.03 H new ATOM 0 HB3 GLU A 93 22.240 -1.319 9.932 1.00 13.03 H new ATOM 0 HG2 GLU A 93 21.898 -3.559 9.137 1.00 13.80 H new ATOM 0 HG3 GLU A 93 23.586 -3.975 9.362 1.00 13.80 H new ATOM 1404 N ARG A 94 22.541 -0.553 6.546 1.00 10.57 N ATOM 1405 CA ARG A 94 21.904 0.519 5.800 1.00 9.39 C ATOM 1406 C ARG A 94 20.523 0.096 5.322 1.00 8.96 C ATOM 1407 O ARG A 94 20.238 -1.099 5.209 1.00 9.64 O ATOM 1408 CB ARG A 94 22.767 0.939 4.599 1.00 9.13 C ATOM 1409 CG ARG A 94 24.173 1.400 4.967 1.00 9.07 C ATOM 1410 CD ARG A 94 24.137 2.633 5.852 1.00 9.14 C ATOM 1411 NE ARG A 94 25.470 3.114 6.211 1.00 9.49 N ATOM 1412 CZ ARG A 94 25.722 3.895 7.266 1.00 9.84 C ATOM 1413 NH1 ARG A 94 24.744 4.242 8.093 1.00 9.96 N1+ ATOM 1414 NH2 ARG A 94 26.953 4.322 7.501 1.00 10.27 N ATOM 0 H ARG A 94 22.593 -1.444 6.053 1.00 10.57 H new ATOM 0 HA ARG A 94 21.798 1.373 6.469 1.00 9.39 H new ATOM 0 HB2 ARG A 94 22.842 0.099 3.909 1.00 9.13 H new ATOM 0 HB3 ARG A 94 22.261 1.744 4.067 1.00 9.13 H new ATOM 0 HG2 ARG A 94 24.698 0.596 5.482 1.00 9.07 H new ATOM 0 HG3 ARG A 94 24.735 1.618 4.059 1.00 9.07 H new ATOM 0 HD2 ARG A 94 23.596 3.427 5.338 1.00 9.14 H new ATOM 0 HD3 ARG A 94 23.581 2.405 6.762 1.00 9.14 H new ATOM 0 HE ARG A 94 26.255 2.837 5.621 1.00 9.49 H new ATOM 0 HH11 ARG A 94 23.793 3.912 7.925 1.00 9.96 H new ATOM 0 HH12 ARG A 94 24.943 4.838 8.896 1.00 9.96 H new ATOM 0 HH21 ARG A 94 27.713 4.055 6.876 1.00 10.27 H new ATOM 0 HH22 ARG A 94 27.141 4.918 8.307 1.00 10.27 H new ATOM 1428 N LEU A 95 19.677 1.075 5.051 1.00 7.97 N ATOM 1429 CA LEU A 95 18.360 0.823 4.494 1.00 7.54 C ATOM 1430 C LEU A 95 18.435 0.940 2.978 1.00 6.99 C ATOM 1431 O LEU A 95 18.939 1.923 2.446 1.00 6.27 O ATOM 1432 CB LEU A 95 17.341 1.838 5.040 1.00 6.93 C ATOM 1433 CG LEU A 95 17.170 1.892 6.566 1.00 7.79 C ATOM 1434 CD1 LEU A 95 17.011 0.498 7.148 1.00 8.88 C ATOM 1435 CD2 LEU A 95 18.327 2.628 7.230 1.00 7.89 C ATOM 0 H LEU A 95 19.882 2.061 5.210 1.00 7.97 H new ATOM 0 HA LEU A 95 18.037 -0.179 4.777 1.00 7.54 H new ATOM 0 HB2 LEU A 95 17.631 2.830 4.695 1.00 6.93 H new ATOM 0 HB3 LEU A 95 16.370 1.617 4.596 1.00 6.93 H new ATOM 0 HG LEU A 95 16.258 2.451 6.773 1.00 7.79 H new ATOM 0 HD11 LEU A 95 16.892 0.567 8.229 1.00 8.88 H new ATOM 0 HD12 LEU A 95 16.131 0.021 6.716 1.00 8.88 H new ATOM 0 HD13 LEU A 95 17.896 -0.096 6.917 1.00 8.88 H new ATOM 0 HD21 LEU A 95 18.174 2.648 8.309 1.00 7.89 H new ATOM 0 HD22 LEU A 95 19.262 2.114 7.005 1.00 7.89 H new ATOM 0 HD23 LEU A 95 18.374 3.649 6.851 1.00 7.89 H new ATOM 1447 N LEU A 96 17.975 -0.087 2.291 1.00 7.59 N ATOM 1448 CA LEU A 96 18.010 -0.103 0.844 1.00 7.52 C ATOM 1449 C LEU A 96 16.631 0.183 0.293 1.00 6.76 C ATOM 1450 O LEU A 96 15.652 -0.466 0.664 1.00 6.96 O ATOM 1451 CB LEU A 96 18.515 -1.453 0.320 1.00 8.83 C ATOM 1452 CG LEU A 96 20.037 -1.631 0.288 1.00 9.65 C ATOM 1453 CD1 LEU A 96 20.678 -0.587 -0.619 1.00 9.37 C ATOM 1454 CD2 LEU A 96 20.625 -1.560 1.693 1.00 9.78 C ATOM 0 H LEU A 96 17.572 -0.923 2.714 1.00 7.59 H new ATOM 0 HA LEU A 96 18.701 0.671 0.510 1.00 7.52 H new ATOM 0 HB2 LEU A 96 18.089 -2.243 0.938 1.00 8.83 H new ATOM 0 HB3 LEU A 96 18.130 -1.596 -0.690 1.00 8.83 H new ATOM 0 HG LEU A 96 20.255 -2.619 -0.117 1.00 9.65 H new ATOM 0 HD11 LEU A 96 21.759 -0.729 -0.630 1.00 9.37 H new ATOM 0 HD12 LEU A 96 20.288 -0.695 -1.631 1.00 9.37 H new ATOM 0 HD13 LEU A 96 20.446 0.411 -0.246 1.00 9.37 H new ATOM 0 HD21 LEU A 96 21.706 -1.689 1.642 1.00 9.78 H new ATOM 0 HD22 LEU A 96 20.396 -0.590 2.135 1.00 9.78 H new ATOM 0 HD23 LEU A 96 20.194 -2.350 2.308 1.00 9.78 H new ATOM 1466 N VAL A 97 16.583 1.136 -0.615 1.00 6.13 N ATOM 1467 CA VAL A 97 15.342 1.588 -1.215 1.00 5.45 C ATOM 1468 C VAL A 97 15.584 1.875 -2.681 1.00 5.86 C ATOM 1469 O VAL A 97 16.722 2.092 -3.079 1.00 6.40 O ATOM 1470 CB VAL A 97 14.826 2.884 -0.544 1.00 4.23 C ATOM 1471 CG1 VAL A 97 14.469 2.646 0.916 1.00 4.19 C ATOM 1472 CG2 VAL A 97 15.865 3.986 -0.674 1.00 4.01 C ATOM 0 H VAL A 97 17.410 1.623 -0.961 1.00 6.13 H new ATOM 0 HA VAL A 97 14.595 0.805 -1.082 1.00 5.45 H new ATOM 0 HB VAL A 97 13.916 3.197 -1.056 1.00 4.23 H new ATOM 0 HG11 VAL A 97 14.110 3.575 1.359 1.00 4.19 H new ATOM 0 HG12 VAL A 97 13.689 1.888 0.981 1.00 4.19 H new ATOM 0 HG13 VAL A 97 15.352 2.304 1.456 1.00 4.19 H new ATOM 0 HG21 VAL A 97 15.494 4.894 -0.199 1.00 4.01 H new ATOM 0 HG22 VAL A 97 16.789 3.674 -0.187 1.00 4.01 H new ATOM 0 HG23 VAL A 97 16.058 4.181 -1.729 1.00 4.01 H new ATOM 1482 N PRO A 98 14.542 1.850 -3.512 1.00 5.92 N ATOM 1483 CA PRO A 98 14.655 2.312 -4.891 1.00 6.55 C ATOM 1484 C PRO A 98 15.222 3.735 -4.939 1.00 6.22 C ATOM 1485 O PRO A 98 14.737 4.613 -4.231 1.00 5.29 O ATOM 1486 CB PRO A 98 13.204 2.277 -5.392 1.00 6.53 C ATOM 1487 CG PRO A 98 12.526 1.266 -4.535 1.00 6.39 C ATOM 1488 CD PRO A 98 13.191 1.358 -3.190 1.00 5.71 C ATOM 0 HA PRO A 98 15.328 1.705 -5.497 1.00 6.55 H new ATOM 0 HB2 PRO A 98 12.731 3.254 -5.299 1.00 6.53 H new ATOM 0 HB3 PRO A 98 13.156 1.998 -6.445 1.00 6.53 H new ATOM 0 HG2 PRO A 98 11.458 1.471 -4.458 1.00 6.39 H new ATOM 0 HG3 PRO A 98 12.629 0.265 -4.955 1.00 6.39 H new ATOM 0 HD2 PRO A 98 12.662 2.041 -2.526 1.00 5.71 H new ATOM 0 HD3 PRO A 98 13.224 0.390 -2.691 1.00 5.71 H new ATOM 1496 N SER A 99 16.266 3.955 -5.733 1.00 7.21 N ATOM 1497 CA SER A 99 16.885 5.273 -5.844 1.00 7.37 C ATOM 1498 C SER A 99 15.879 6.368 -6.214 1.00 7.21 C ATOM 1499 O SER A 99 16.083 7.539 -5.884 1.00 7.21 O ATOM 1500 CB SER A 99 18.021 5.243 -6.872 1.00 8.73 C ATOM 1501 OG SER A 99 17.568 4.750 -8.127 1.00 9.29 O ATOM 0 H SER A 99 16.702 3.236 -6.310 1.00 7.21 H new ATOM 0 HA SER A 99 17.284 5.517 -4.860 1.00 7.37 H new ATOM 0 HB2 SER A 99 18.427 6.247 -6.998 1.00 8.73 H new ATOM 0 HB3 SER A 99 18.832 4.615 -6.503 1.00 8.73 H new ATOM 0 HG SER A 99 17.470 3.776 -8.080 1.00 9.29 H new ATOM 1507 N GLU A 100 14.793 6.002 -6.876 1.00 7.31 N ATOM 1508 CA GLU A 100 13.768 6.976 -7.225 1.00 7.41 C ATOM 1509 C GLU A 100 12.690 7.068 -6.144 1.00 6.33 C ATOM 1510 O GLU A 100 11.639 7.671 -6.361 1.00 6.56 O ATOM 1511 CB GLU A 100 13.159 6.650 -8.583 1.00 8.22 C ATOM 1512 CG GLU A 100 14.204 6.581 -9.682 1.00 9.47 C ATOM 1513 CD GLU A 100 13.615 6.269 -11.033 1.00 10.34 C ATOM 1514 OE1 GLU A 100 13.472 5.076 -11.358 1.00 10.65 O1- ATOM 1515 OE2 GLU A 100 13.312 7.218 -11.783 1.00 10.86 O ATOM 0 H GLU A 100 14.598 5.048 -7.180 1.00 7.31 H new ATOM 0 HA GLU A 100 14.245 7.954 -7.291 1.00 7.41 H new ATOM 0 HB2 GLU A 100 12.634 5.697 -8.524 1.00 8.22 H new ATOM 0 HB3 GLU A 100 12.417 7.407 -8.837 1.00 8.22 H new ATOM 0 HG2 GLU A 100 14.733 7.532 -9.733 1.00 9.47 H new ATOM 0 HG3 GLU A 100 14.941 5.819 -9.428 1.00 9.47 H new ATOM 1522 N ALA A 101 12.941 6.483 -4.986 1.00 5.34 N ATOM 1523 CA ALA A 101 12.017 6.609 -3.868 1.00 4.45 C ATOM 1524 C ALA A 101 12.302 7.882 -3.088 1.00 4.45 C ATOM 1525 O ALA A 101 11.404 8.490 -2.502 1.00 4.62 O ATOM 1526 CB ALA A 101 12.112 5.400 -2.949 1.00 3.75 C ATOM 0 H ALA A 101 13.769 5.920 -4.794 1.00 5.34 H new ATOM 0 HA ALA A 101 11.004 6.659 -4.268 1.00 4.45 H new ATOM 0 HB1 ALA A 101 11.413 5.516 -2.121 1.00 3.75 H new ATOM 0 HB2 ALA A 101 11.865 4.498 -3.508 1.00 3.75 H new ATOM 0 HB3 ALA A 101 13.126 5.319 -2.558 1.00 3.75 H new ATOM 1532 N LEU A 102 13.556 8.305 -3.114 1.00 4.73 N ATOM 1533 CA LEU A 102 13.983 9.428 -2.312 1.00 5.07 C ATOM 1534 C LEU A 102 14.055 10.703 -3.131 1.00 6.33 C ATOM 1535 O LEU A 102 14.155 10.672 -4.359 1.00 6.97 O ATOM 1536 CB LEU A 102 15.311 9.136 -1.600 1.00 4.90 C ATOM 1537 CG LEU A 102 16.470 8.647 -2.481 1.00 5.36 C ATOM 1538 CD1 LEU A 102 17.166 9.803 -3.181 1.00 6.64 C ATOM 1539 CD2 LEU A 102 17.469 7.879 -1.635 1.00 4.98 C ATOM 0 H LEU A 102 14.291 7.885 -3.683 1.00 4.73 H new ATOM 0 HA LEU A 102 13.229 9.584 -1.541 1.00 5.07 H new ATOM 0 HB2 LEU A 102 15.631 10.044 -1.089 1.00 4.90 H new ATOM 0 HB3 LEU A 102 15.128 8.386 -0.831 1.00 4.90 H new ATOM 0 HG LEU A 102 16.057 7.992 -3.248 1.00 5.36 H new ATOM 0 HD11 LEU A 102 17.980 9.419 -3.795 1.00 6.64 H new ATOM 0 HD12 LEU A 102 16.451 10.329 -3.814 1.00 6.64 H new ATOM 0 HD13 LEU A 102 17.566 10.491 -2.437 1.00 6.64 H new ATOM 0 HD21 LEU A 102 18.289 7.534 -2.264 1.00 4.98 H new ATOM 0 HD22 LEU A 102 17.860 8.530 -0.853 1.00 4.98 H new ATOM 0 HD23 LEU A 102 16.976 7.021 -1.179 1.00 4.98 H new ATOM 1551 N ILE A 103 14.002 11.816 -2.438 1.00 6.87 N ATOM 1552 CA ILE A 103 14.046 13.120 -3.061 1.00 8.18 C ATOM 1553 C ILE A 103 15.413 13.746 -2.877 1.00 8.75 C ATOM 1554 O ILE A 103 15.883 13.884 -1.753 1.00 8.67 O ATOM 1555 CB ILE A 103 12.997 14.056 -2.432 1.00 8.80 C ATOM 1556 CG1 ILE A 103 11.589 13.461 -2.551 1.00 8.52 C ATOM 1557 CG2 ILE A 103 13.072 15.441 -3.054 1.00 10.20 C ATOM 1558 CD1 ILE A 103 11.200 13.073 -3.963 1.00 8.14 C ATOM 0 H ILE A 103 13.927 11.844 -1.421 1.00 6.87 H new ATOM 0 HA ILE A 103 13.835 12.988 -4.122 1.00 8.18 H new ATOM 0 HB ILE A 103 13.220 14.156 -1.370 1.00 8.80 H new ATOM 0 HG12 ILE A 103 11.523 12.580 -1.912 1.00 8.52 H new ATOM 0 HG13 ILE A 103 10.867 14.184 -2.172 1.00 8.52 H new ATOM 0 HG21 ILE A 103 12.323 16.087 -2.596 1.00 10.20 H new ATOM 0 HG22 ILE A 103 14.064 15.861 -2.888 1.00 10.20 H new ATOM 0 HG23 ILE A 103 12.883 15.370 -4.125 1.00 10.20 H new ATOM 0 HD11 ILE A 103 10.191 12.661 -3.962 1.00 8.14 H new ATOM 0 HD12 ILE A 103 11.231 13.954 -4.604 1.00 8.14 H new ATOM 0 HD13 ILE A 103 11.897 12.325 -4.340 1.00 8.14 H new ATOM 1570 N ARG A 104 16.064 14.114 -3.962 1.00 9.50 N ATOM 1571 CA ARG A 104 17.292 14.866 -3.837 1.00 10.25 C ATOM 1572 C ARG A 104 17.023 16.346 -3.952 1.00 11.48 C ATOM 1573 O ARG A 104 16.476 16.816 -4.949 1.00 12.12 O ATOM 1574 CB ARG A 104 18.357 14.423 -4.837 1.00 10.50 C ATOM 1575 CG ARG A 104 19.056 13.142 -4.429 1.00 9.82 C ATOM 1576 CD ARG A 104 19.827 13.337 -3.135 1.00 9.98 C ATOM 1577 NE ARG A 104 21.006 14.184 -3.310 1.00 10.43 N ATOM 1578 CZ ARG A 104 21.816 14.531 -2.312 1.00 10.83 C ATOM 1579 NH1 ARG A 104 21.550 14.133 -1.074 1.00 10.83 N1+ ATOM 1580 NH2 ARG A 104 22.884 15.286 -2.545 1.00 11.42 N ATOM 0 H ARG A 104 15.771 13.910 -4.918 1.00 9.50 H new ATOM 0 HA ARG A 104 17.693 14.659 -2.845 1.00 10.25 H new ATOM 0 HB2 ARG A 104 17.894 14.283 -5.814 1.00 10.50 H new ATOM 0 HB3 ARG A 104 19.097 15.216 -4.946 1.00 10.50 H new ATOM 0 HG2 ARG A 104 18.322 12.346 -4.304 1.00 9.82 H new ATOM 0 HG3 ARG A 104 19.737 12.826 -5.219 1.00 9.82 H new ATOM 0 HD2 ARG A 104 19.170 13.783 -2.388 1.00 9.98 H new ATOM 0 HD3 ARG A 104 20.135 12.365 -2.749 1.00 9.98 H new ATOM 0 HE ARG A 104 21.219 14.527 -4.247 1.00 10.43 H new ATOM 0 HH11 ARG A 104 20.726 13.562 -0.888 1.00 10.83 H new ATOM 0 HH12 ARG A 104 22.170 14.398 -0.309 1.00 10.83 H new ATOM 0 HH21 ARG A 104 23.087 15.603 -3.493 1.00 11.42 H new ATOM 0 HH22 ARG A 104 23.501 15.548 -1.776 1.00 11.42 H new ATOM 1594 N THR A 105 17.397 17.077 -2.921 1.00 11.91 N ATOM 1595 CA THR A 105 17.222 18.509 -2.917 1.00 13.15 C ATOM 1596 C THR A 105 18.311 19.180 -2.089 1.00 13.72 C ATOM 1597 O THR A 105 18.755 18.633 -1.080 1.00 13.20 O ATOM 1598 CB THR A 105 15.821 18.901 -2.393 1.00 13.31 C ATOM 1599 OG1 THR A 105 15.696 20.326 -2.302 1.00 14.61 O ATOM 1600 CG2 THR A 105 15.543 18.271 -1.033 1.00 12.61 C ATOM 0 H THR A 105 17.824 16.699 -2.076 1.00 11.91 H new ATOM 0 HA THR A 105 17.304 18.859 -3.946 1.00 13.15 H new ATOM 0 HB THR A 105 15.087 18.523 -3.105 1.00 13.31 H new ATOM 0 HG1 THR A 105 14.803 20.556 -1.970 1.00 14.61 H new ATOM 0 HG21 THR A 105 14.551 18.565 -0.692 1.00 12.61 H new ATOM 0 HG22 THR A 105 15.590 17.185 -1.118 1.00 12.61 H new ATOM 0 HG23 THR A 105 16.289 18.611 -0.315 1.00 12.61 H new ATOM 1608 N GLY A 106 18.757 20.348 -2.541 1.00 14.84 N ATOM 1609 CA GLY A 106 19.761 21.108 -1.817 1.00 15.52 C ATOM 1610 C GLY A 106 20.982 20.281 -1.471 1.00 14.91 C ATOM 1611 O GLY A 106 21.708 19.824 -2.357 1.00 14.86 O ATOM 0 H GLY A 106 18.437 20.786 -3.405 1.00 14.84 H new ATOM 0 HA2 GLY A 106 20.066 21.965 -2.418 1.00 15.52 H new ATOM 0 HA3 GLY A 106 19.322 21.502 -0.900 1.00 15.52 H new ATOM 1615 N ALA A 107 21.208 20.091 -0.179 1.00 14.57 N ATOM 1616 CA ALA A 107 22.316 19.278 0.289 1.00 14.09 C ATOM 1617 C ALA A 107 21.820 18.125 1.144 1.00 12.88 C ATOM 1618 O ALA A 107 22.457 17.747 2.130 1.00 12.64 O ATOM 1619 CB ALA A 107 23.314 20.128 1.058 1.00 14.99 C ATOM 0 H ALA A 107 20.635 20.491 0.564 1.00 14.57 H new ATOM 0 HA ALA A 107 22.821 18.858 -0.581 1.00 14.09 H new ATOM 0 HB1 ALA A 107 24.137 19.502 1.401 1.00 14.99 H new ATOM 0 HB2 ALA A 107 23.701 20.912 0.408 1.00 14.99 H new ATOM 0 HB3 ALA A 107 22.820 20.581 1.918 1.00 14.99 H new ATOM 1625 N ARG A 108 20.682 17.566 0.768 1.00 12.19 N ATOM 1626 CA ARG A 108 20.052 16.529 1.561 1.00 11.09 C ATOM 1627 C ARG A 108 19.148 15.638 0.718 1.00 10.26 C ATOM 1628 O ARG A 108 19.034 15.814 -0.499 1.00 10.63 O ATOM 1629 CB ARG A 108 19.242 17.167 2.667 1.00 11.48 C ATOM 1630 CG ARG A 108 18.330 18.250 2.150 1.00 12.49 C ATOM 1631 CD ARG A 108 17.471 18.786 3.265 1.00 12.62 C ATOM 1632 NE ARG A 108 16.417 19.668 2.775 1.00 13.67 N ATOM 1633 CZ ARG A 108 15.327 19.988 3.468 1.00 14.22 C ATOM 1634 NH1 ARG A 108 15.179 19.575 4.722 1.00 13.92 N1+ ATOM 1635 NH2 ARG A 108 14.386 20.740 2.910 1.00 15.20 N ATOM 0 H ARG A 108 20.177 17.815 -0.082 1.00 12.19 H new ATOM 0 HA ARG A 108 20.840 15.902 1.979 1.00 11.09 H new ATOM 0 HB2 ARG A 108 18.648 16.402 3.168 1.00 11.48 H new ATOM 0 HB3 ARG A 108 19.916 17.587 3.413 1.00 11.48 H new ATOM 0 HG2 ARG A 108 18.921 19.057 1.717 1.00 12.49 H new ATOM 0 HG3 ARG A 108 17.699 17.854 1.354 1.00 12.49 H new ATOM 0 HD2 ARG A 108 17.023 17.954 3.808 1.00 12.62 H new ATOM 0 HD3 ARG A 108 18.096 19.329 3.974 1.00 12.62 H new ATOM 0 HE ARG A 108 16.522 20.065 1.841 1.00 13.67 H new ATOM 0 HH11 ARG A 108 15.904 19.008 5.161 1.00 13.92 H new ATOM 0 HH12 ARG A 108 14.340 19.825 5.246 1.00 13.92 H new ATOM 0 HH21 ARG A 108 14.499 21.071 1.952 1.00 15.20 H new ATOM 0 HH22 ARG A 108 13.550 20.987 3.439 1.00 15.20 H new ATOM 1649 N THR A 109 18.504 14.692 1.379 1.00 9.26 N ATOM 1650 CA THR A 109 17.554 13.807 0.736 1.00 8.38 C ATOM 1651 C THR A 109 16.277 13.748 1.564 1.00 8.15 C ATOM 1652 O THR A 109 16.323 13.877 2.785 1.00 8.42 O ATOM 1653 CB THR A 109 18.148 12.393 0.583 1.00 7.38 C ATOM 1654 OG1 THR A 109 19.457 12.481 0.005 1.00 7.95 O ATOM 1655 CG2 THR A 109 17.265 11.523 -0.285 1.00 6.64 C ATOM 0 H THR A 109 18.626 14.517 2.376 1.00 9.26 H new ATOM 0 HA THR A 109 17.327 14.193 -0.258 1.00 8.38 H new ATOM 0 HB THR A 109 18.211 11.938 1.572 1.00 7.38 H new ATOM 0 HG1 THR A 109 19.524 11.860 -0.750 1.00 7.95 H new ATOM 0 HG21 THR A 109 17.708 10.531 -0.376 1.00 6.64 H new ATOM 0 HG22 THR A 109 16.278 11.439 0.169 1.00 6.64 H new ATOM 0 HG23 THR A 109 17.172 11.971 -1.274 1.00 6.64 H new ATOM 1663 N ILE A 110 15.139 13.590 0.908 1.00 7.89 N ATOM 1664 CA ILE A 110 13.861 13.511 1.607 1.00 7.87 C ATOM 1665 C ILE A 110 13.114 12.249 1.186 1.00 6.75 C ATOM 1666 O ILE A 110 13.285 11.769 0.071 1.00 6.24 O ATOM 1667 CB ILE A 110 12.965 14.743 1.316 1.00 9.02 C ATOM 1668 CG1 ILE A 110 13.740 16.057 1.484 1.00 10.20 C ATOM 1669 CG2 ILE A 110 11.750 14.738 2.229 1.00 9.31 C ATOM 1670 CD1 ILE A 110 14.205 16.330 2.900 1.00 10.55 C ATOM 0 H ILE A 110 15.071 13.514 -0.107 1.00 7.89 H new ATOM 0 HA ILE A 110 14.078 13.487 2.675 1.00 7.87 H new ATOM 0 HB ILE A 110 12.638 14.675 0.279 1.00 9.02 H new ATOM 0 HG12 ILE A 110 14.609 16.040 0.826 1.00 10.20 H new ATOM 0 HG13 ILE A 110 13.108 16.882 1.156 1.00 10.20 H new ATOM 0 HG21 ILE A 110 11.130 15.608 2.014 1.00 9.31 H new ATOM 0 HG22 ILE A 110 11.172 13.830 2.060 1.00 9.31 H new ATOM 0 HG23 ILE A 110 12.076 14.773 3.269 1.00 9.31 H new ATOM 0 HD11 ILE A 110 14.744 17.277 2.930 1.00 10.55 H new ATOM 0 HD12 ILE A 110 13.341 16.383 3.563 1.00 10.55 H new ATOM 0 HD13 ILE A 110 14.865 15.527 3.227 1.00 10.55 H new ATOM 1682 N ALA A 111 12.312 11.703 2.085 1.00 6.58 N ATOM 1683 CA ALA A 111 11.480 10.551 1.777 1.00 5.74 C ATOM 1684 C ALA A 111 10.059 10.784 2.265 1.00 6.51 C ATOM 1685 O ALA A 111 9.845 11.065 3.438 1.00 7.39 O ATOM 1686 CB ALA A 111 12.054 9.296 2.421 1.00 5.00 C ATOM 0 H ALA A 111 12.219 12.043 3.042 1.00 6.58 H new ATOM 0 HA ALA A 111 11.464 10.414 0.696 1.00 5.74 H new ATOM 0 HB1 ALA A 111 11.420 8.442 2.182 1.00 5.00 H new ATOM 0 HB2 ALA A 111 13.060 9.119 2.041 1.00 5.00 H new ATOM 0 HB3 ALA A 111 12.093 9.427 3.502 1.00 5.00 H new ATOM 1692 N MET A 112 9.092 10.689 1.367 1.00 6.37 N ATOM 1693 CA MET A 112 7.695 10.815 1.758 1.00 7.19 C ATOM 1694 C MET A 112 7.172 9.452 2.192 1.00 6.90 C ATOM 1695 O MET A 112 6.846 8.599 1.361 1.00 6.29 O ATOM 1696 CB MET A 112 6.852 11.351 0.601 1.00 7.48 C ATOM 1697 CG MET A 112 7.255 12.741 0.138 1.00 8.19 C ATOM 1698 SD MET A 112 6.002 13.521 -0.899 1.00 8.85 S ATOM 1699 CE MET A 112 5.738 12.249 -2.132 1.00 8.24 C ATOM 0 H MET A 112 9.245 10.527 0.372 1.00 6.37 H new ATOM 0 HA MET A 112 7.623 11.520 2.586 1.00 7.19 H new ATOM 0 HB2 MET A 112 6.928 10.662 -0.240 1.00 7.48 H new ATOM 0 HB3 MET A 112 5.805 11.369 0.905 1.00 7.48 H new ATOM 0 HG2 MET A 112 7.442 13.369 1.009 1.00 8.19 H new ATOM 0 HG3 MET A 112 8.191 12.677 -0.417 1.00 8.19 H new ATOM 0 HE1 MET A 112 5.156 12.658 -2.958 1.00 8.24 H new ATOM 0 HE2 MET A 112 6.700 11.899 -2.505 1.00 8.24 H new ATOM 0 HE3 MET A 112 5.197 11.415 -1.685 1.00 8.24 H new ATOM 1709 N VAL A 113 7.113 9.254 3.501 1.00 7.60 N ATOM 1710 CA VAL A 113 6.743 7.976 4.073 1.00 7.75 C ATOM 1711 C VAL A 113 5.230 7.818 4.121 1.00 8.59 C ATOM 1712 O VAL A 113 4.511 8.754 4.473 1.00 9.48 O ATOM 1713 CB VAL A 113 7.328 7.817 5.500 1.00 8.42 C ATOM 1714 CG1 VAL A 113 6.753 8.848 6.459 1.00 9.69 C ATOM 1715 CG2 VAL A 113 7.095 6.414 6.033 1.00 8.72 C ATOM 0 H VAL A 113 7.320 9.975 4.192 1.00 7.60 H new ATOM 0 HA VAL A 113 7.159 7.198 3.432 1.00 7.75 H new ATOM 0 HB VAL A 113 8.402 7.986 5.428 1.00 8.42 H new ATOM 0 HG11 VAL A 113 7.186 8.705 7.449 1.00 9.69 H new ATOM 0 HG12 VAL A 113 6.989 9.850 6.100 1.00 9.69 H new ATOM 0 HG13 VAL A 113 5.671 8.728 6.516 1.00 9.69 H new ATOM 0 HG21 VAL A 113 7.516 6.331 7.035 1.00 8.72 H new ATOM 0 HG22 VAL A 113 6.024 6.212 6.071 1.00 8.72 H new ATOM 0 HG23 VAL A 113 7.578 5.690 5.376 1.00 8.72 H new ATOM 1725 N ALA A 114 4.754 6.638 3.747 1.00 8.43 N ATOM 1726 CA ALA A 114 3.348 6.309 3.887 1.00 9.31 C ATOM 1727 C ALA A 114 3.061 6.037 5.355 1.00 10.44 C ATOM 1728 O ALA A 114 3.042 4.893 5.805 1.00 10.70 O ATOM 1729 CB ALA A 114 2.988 5.106 3.022 1.00 8.96 C ATOM 0 H ALA A 114 5.324 5.894 3.344 1.00 8.43 H new ATOM 0 HA ALA A 114 2.735 7.144 3.547 1.00 9.31 H new ATOM 0 HB1 ALA A 114 1.929 4.876 3.141 1.00 8.96 H new ATOM 0 HB2 ALA A 114 3.194 5.335 1.976 1.00 8.96 H new ATOM 0 HB3 ALA A 114 3.583 4.246 3.329 1.00 8.96 H new ATOM 1735 N LYS A 115 2.838 7.112 6.089 1.00 11.26 N ATOM 1736 CA LYS A 115 2.779 7.068 7.538 1.00 12.43 C ATOM 1737 C LYS A 115 1.442 6.520 8.015 1.00 13.26 C ATOM 1738 O LYS A 115 0.417 6.680 7.349 1.00 13.19 O ATOM 1739 CB LYS A 115 3.002 8.480 8.088 1.00 13.13 C ATOM 1740 CG LYS A 115 3.454 8.518 9.536 1.00 13.19 C ATOM 1741 CD LYS A 115 3.784 9.934 9.974 1.00 14.08 C ATOM 1742 CE LYS A 115 4.434 9.959 11.345 1.00 14.36 C ATOM 1743 NZ LYS A 115 5.734 9.233 11.355 1.00 14.88 N1+ ATOM 0 H LYS A 115 2.692 8.042 5.696 1.00 11.26 H new ATOM 0 HA LYS A 115 3.559 6.401 7.905 1.00 12.43 H new ATOM 0 HB2 LYS A 115 3.747 8.984 7.473 1.00 13.13 H new ATOM 0 HB3 LYS A 115 2.075 9.046 7.993 1.00 13.13 H new ATOM 0 HG2 LYS A 115 2.670 8.111 10.175 1.00 13.19 H new ATOM 0 HG3 LYS A 115 4.330 7.882 9.662 1.00 13.19 H new ATOM 0 HD2 LYS A 115 4.452 10.394 9.246 1.00 14.08 H new ATOM 0 HD3 LYS A 115 2.872 10.531 9.992 1.00 14.08 H new ATOM 0 HE2 LYS A 115 4.593 10.992 11.653 1.00 14.36 H new ATOM 0 HE3 LYS A 115 3.761 9.509 12.075 1.00 14.36 H new ATOM 0 HZ1 LYS A 115 6.292 9.532 12.180 1.00 14.88 H new ATOM 0 HZ2 LYS A 115 5.559 8.209 11.407 1.00 14.88 H new ATOM 0 HZ3 LYS A 115 6.260 9.451 10.485 1.00 14.88 H new ATOM 1757 N GLY A 116 1.466 5.884 9.184 1.00 14.15 N ATOM 1758 CA GLY A 116 0.273 5.281 9.756 1.00 15.10 C ATOM 1759 C GLY A 116 -0.798 6.295 10.106 1.00 16.02 C ATOM 1760 O GLY A 116 -1.902 5.924 10.500 1.00 16.92 O ATOM 0 H GLY A 116 2.305 5.775 9.753 1.00 14.15 H new ATOM 0 HA2 GLY A 116 -0.136 4.559 9.049 1.00 15.10 H new ATOM 0 HA3 GLY A 116 0.548 4.728 10.654 1.00 15.10 H new ATOM 1764 N GLU A 117 -0.465 7.574 9.963 1.00 15.88 N ATOM 1765 CA GLU A 117 -1.421 8.655 10.164 1.00 16.82 C ATOM 1766 C GLU A 117 -2.401 8.712 9.002 1.00 16.56 C ATOM 1767 O GLU A 117 -3.400 9.431 9.063 1.00 17.25 O ATOM 1768 CB GLU A 117 -0.687 9.987 10.282 1.00 17.04 C ATOM 1769 CG GLU A 117 0.245 10.050 11.472 1.00 17.42 C ATOM 1770 CD GLU A 117 0.651 11.468 11.816 1.00 17.95 C ATOM 1771 OE1 GLU A 117 1.397 12.078 11.028 1.00 18.56 O ATOM 1772 OE2 GLU A 117 0.236 11.975 12.877 1.00 17.82 O1- ATOM 0 H GLU A 117 0.471 7.888 9.706 1.00 15.88 H new ATOM 0 HA GLU A 117 -1.972 8.466 11.085 1.00 16.82 H new ATOM 0 HB2 GLU A 117 -0.115 10.161 9.371 1.00 17.04 H new ATOM 0 HB3 GLU A 117 -1.418 10.792 10.358 1.00 17.04 H new ATOM 0 HG2 GLU A 117 -0.241 9.595 12.335 1.00 17.42 H new ATOM 0 HG3 GLU A 117 1.138 9.461 11.262 1.00 17.42 H new ATOM 1779 N GLY A 118 -2.121 7.974 7.956 1.00 15.62 N ATOM 1780 CA GLY A 118 -2.943 8.063 6.768 1.00 15.41 C ATOM 1781 C GLY A 118 -2.511 9.210 5.884 1.00 14.71 C ATOM 1782 O GLY A 118 -3.331 9.843 5.213 1.00 14.71 O ATOM 0 H GLY A 118 -1.345 7.315 7.899 1.00 15.62 H new ATOM 0 HA2 GLY A 118 -2.882 7.129 6.210 1.00 15.41 H new ATOM 0 HA3 GLY A 118 -3.986 8.195 7.055 1.00 15.41 H new ATOM 1786 N GLY A 119 -1.222 9.501 5.921 1.00 14.19 N ATOM 1787 CA GLY A 119 -0.675 10.577 5.137 1.00 13.68 C ATOM 1788 C GLY A 119 0.790 10.357 4.854 1.00 12.53 C ATOM 1789 O GLY A 119 1.434 9.533 5.504 1.00 12.20 O ATOM 0 H GLY A 119 -0.539 9.001 6.490 1.00 14.19 H new ATOM 0 HA2 GLY A 119 -1.221 10.660 4.197 1.00 13.68 H new ATOM 0 HA3 GLY A 119 -0.808 11.520 5.667 1.00 13.68 H new ATOM 1793 N PHE A 120 1.316 11.082 3.888 1.00 12.03 N ATOM 1794 CA PHE A 120 2.712 10.950 3.508 1.00 10.94 C ATOM 1795 C PHE A 120 3.544 12.027 4.184 1.00 11.32 C ATOM 1796 O PHE A 120 3.400 13.217 3.887 1.00 11.97 O ATOM 1797 CB PHE A 120 2.843 11.042 1.991 1.00 10.11 C ATOM 1798 CG PHE A 120 2.093 9.959 1.277 1.00 9.82 C ATOM 1799 CD1 PHE A 120 2.618 8.680 1.183 1.00 9.99 C ATOM 1800 CD2 PHE A 120 0.870 10.222 0.686 1.00 9.56 C ATOM 1801 CE1 PHE A 120 1.938 7.687 0.509 1.00 9.89 C ATOM 1802 CE2 PHE A 120 0.184 9.233 0.015 1.00 9.49 C ATOM 1803 CZ PHE A 120 0.693 7.941 -0.014 1.00 9.66 C ATOM 0 H PHE A 120 0.796 11.773 3.348 1.00 12.03 H new ATOM 0 HA PHE A 120 3.082 9.978 3.834 1.00 10.94 H new ATOM 0 HB2 PHE A 120 2.476 12.013 1.657 1.00 10.11 H new ATOM 0 HB3 PHE A 120 3.897 10.989 1.718 1.00 10.11 H new ATOM 0 HD1 PHE A 120 3.570 8.458 1.642 1.00 9.99 H new ATOM 0 HD2 PHE A 120 0.448 11.214 0.751 1.00 9.56 H new ATOM 0 HE1 PHE A 120 2.384 6.710 0.392 1.00 9.89 H new ATOM 0 HE2 PHE A 120 -0.745 9.461 -0.486 1.00 9.49 H new ATOM 0 HZ PHE A 120 0.113 7.139 -0.446 1.00 9.66 H new ATOM 1813 N ASP A 121 4.406 11.604 5.099 1.00 11.05 N ATOM 1814 CA ASP A 121 5.202 12.536 5.882 1.00 11.56 C ATOM 1815 C ASP A 121 6.614 12.597 5.319 1.00 10.58 C ATOM 1816 O ASP A 121 7.166 11.566 4.940 1.00 9.55 O ATOM 1817 CB ASP A 121 5.235 12.115 7.355 1.00 12.35 C ATOM 1818 CG ASP A 121 5.492 13.263 8.309 1.00 13.39 C ATOM 1819 OD1 ASP A 121 6.675 13.581 8.552 1.00 13.91 O1- ATOM 1820 OD2 ASP A 121 4.519 13.864 8.803 1.00 13.79 O ATOM 0 H ASP A 121 4.571 10.621 5.316 1.00 11.05 H new ATOM 0 HA ASP A 121 4.747 13.525 5.822 1.00 11.56 H new ATOM 0 HB2 ASP A 121 4.285 11.646 7.611 1.00 12.35 H new ATOM 0 HB3 ASP A 121 6.010 11.360 7.491 1.00 12.35 H new ATOM 1825 N PRO A 122 7.226 13.775 5.246 1.00 10.99 N ATOM 1826 CA PRO A 122 8.554 13.918 4.684 1.00 10.31 C ATOM 1827 C PRO A 122 9.663 13.672 5.705 1.00 10.40 C ATOM 1828 O PRO A 122 9.732 14.310 6.755 1.00 11.44 O ATOM 1829 CB PRO A 122 8.573 15.361 4.183 1.00 11.13 C ATOM 1830 CG PRO A 122 7.425 16.064 4.852 1.00 12.35 C ATOM 1831 CD PRO A 122 6.692 15.054 5.702 1.00 12.29 C ATOM 0 HA PRO A 122 8.745 13.183 3.902 1.00 10.31 H new ATOM 0 HB2 PRO A 122 9.519 15.844 4.429 1.00 11.13 H new ATOM 0 HB3 PRO A 122 8.469 15.396 3.098 1.00 11.13 H new ATOM 0 HG2 PRO A 122 7.788 16.888 5.467 1.00 12.35 H new ATOM 0 HG3 PRO A 122 6.755 16.494 4.107 1.00 12.35 H new ATOM 0 HD2 PRO A 122 6.879 15.212 6.764 1.00 12.29 H new ATOM 0 HD3 PRO A 122 5.613 15.114 5.556 1.00 12.29 H new ATOM 1839 N VAL A 123 10.512 12.713 5.391 1.00 9.36 N ATOM 1840 CA VAL A 123 11.644 12.379 6.236 1.00 9.43 C ATOM 1841 C VAL A 123 12.934 12.873 5.603 1.00 9.05 C ATOM 1842 O VAL A 123 13.251 12.496 4.479 1.00 8.18 O ATOM 1843 CB VAL A 123 11.786 10.857 6.439 1.00 8.79 C ATOM 1844 CG1 VAL A 123 12.648 10.570 7.653 1.00 7.90 C ATOM 1845 CG2 VAL A 123 10.434 10.171 6.552 1.00 9.39 C ATOM 0 H VAL A 123 10.438 12.145 4.547 1.00 9.36 H new ATOM 0 HA VAL A 123 11.465 12.858 7.198 1.00 9.43 H new ATOM 0 HB VAL A 123 12.276 10.446 5.557 1.00 8.79 H new ATOM 0 HG11 VAL A 123 12.741 9.492 7.786 1.00 7.90 H new ATOM 0 HG12 VAL A 123 13.637 11.005 7.508 1.00 7.90 H new ATOM 0 HG13 VAL A 123 12.186 11.007 8.539 1.00 7.90 H new ATOM 0 HG21 VAL A 123 10.580 9.100 6.694 1.00 9.39 H new ATOM 0 HG22 VAL A 123 9.889 10.579 7.403 1.00 9.39 H new ATOM 0 HG23 VAL A 123 9.862 10.341 5.640 1.00 9.39 H new ATOM 1855 N GLU A 124 13.667 13.719 6.303 1.00 9.85 N ATOM 1856 CA GLU A 124 14.995 14.098 5.854 1.00 9.72 C ATOM 1857 C GLU A 124 15.947 12.937 6.100 1.00 8.90 C ATOM 1858 O GLU A 124 16.103 12.479 7.235 1.00 9.21 O ATOM 1859 CB GLU A 124 15.496 15.355 6.569 1.00 10.96 C ATOM 1860 CG GLU A 124 16.824 15.863 6.023 1.00 11.07 C ATOM 1861 CD GLU A 124 17.322 17.101 6.735 1.00 12.34 C ATOM 1862 OE1 GLU A 124 16.844 18.209 6.415 1.00 12.93 O1- ATOM 1863 OE2 GLU A 124 18.188 16.972 7.628 1.00 12.83 O ATOM 0 H GLU A 124 13.370 14.154 7.177 1.00 9.85 H new ATOM 0 HA GLU A 124 14.951 14.328 4.789 1.00 9.72 H new ATOM 0 HB2 GLU A 124 14.747 16.141 6.476 1.00 10.96 H new ATOM 0 HB3 GLU A 124 15.605 15.142 7.632 1.00 10.96 H new ATOM 0 HG2 GLU A 124 17.572 15.075 6.111 1.00 11.07 H new ATOM 0 HG3 GLU A 124 16.714 16.081 4.961 1.00 11.07 H new ATOM 1870 N VAL A 125 16.563 12.456 5.039 1.00 8.03 N ATOM 1871 CA VAL A 125 17.387 11.264 5.109 1.00 7.30 C ATOM 1872 C VAL A 125 18.765 11.483 4.492 1.00 7.38 C ATOM 1873 O VAL A 125 18.957 12.331 3.619 1.00 7.84 O ATOM 1874 CB VAL A 125 16.669 10.048 4.451 1.00 6.19 C ATOM 1875 CG1 VAL A 125 15.620 10.503 3.460 1.00 6.15 C ATOM 1876 CG2 VAL A 125 17.629 9.121 3.762 1.00 5.62 C ATOM 0 H VAL A 125 16.508 12.875 4.111 1.00 8.03 H new ATOM 0 HA VAL A 125 17.539 11.041 6.165 1.00 7.30 H new ATOM 0 HB VAL A 125 16.191 9.502 5.264 1.00 6.19 H new ATOM 0 HG11 VAL A 125 15.136 9.633 3.017 1.00 6.15 H new ATOM 0 HG12 VAL A 125 14.875 11.111 3.973 1.00 6.15 H new ATOM 0 HG13 VAL A 125 16.093 11.094 2.675 1.00 6.15 H new ATOM 0 HG21 VAL A 125 17.079 8.290 3.320 1.00 5.62 H new ATOM 0 HG22 VAL A 125 18.159 9.663 2.979 1.00 5.62 H new ATOM 0 HG23 VAL A 125 18.347 8.736 4.487 1.00 5.62 H new ATOM 1886 N LYS A 126 19.711 10.704 4.987 1.00 7.21 N ATOM 1887 CA LYS A 126 21.076 10.713 4.517 1.00 7.44 C ATOM 1888 C LYS A 126 21.253 9.640 3.451 1.00 6.77 C ATOM 1889 O LYS A 126 20.905 8.477 3.668 1.00 6.29 O ATOM 1890 CB LYS A 126 22.011 10.445 5.687 1.00 8.03 C ATOM 1891 CG LYS A 126 23.468 10.348 5.277 1.00 8.46 C ATOM 1892 CD LYS A 126 24.380 10.116 6.466 1.00 9.06 C ATOM 1893 CE LYS A 126 24.278 11.233 7.496 1.00 9.72 C ATOM 1894 NZ LYS A 126 24.682 12.551 6.939 1.00 10.39 N1+ ATOM 0 H LYS A 126 19.544 10.037 5.740 1.00 7.21 H new ATOM 0 HA LYS A 126 21.311 11.685 4.084 1.00 7.44 H new ATOM 0 HB2 LYS A 126 21.899 11.241 6.423 1.00 8.03 H new ATOM 0 HB3 LYS A 126 21.715 9.516 6.175 1.00 8.03 H new ATOM 0 HG2 LYS A 126 23.590 9.534 4.563 1.00 8.46 H new ATOM 0 HG3 LYS A 126 23.763 11.266 4.768 1.00 8.46 H new ATOM 0 HD2 LYS A 126 24.126 9.166 6.936 1.00 9.06 H new ATOM 0 HD3 LYS A 126 25.411 10.035 6.121 1.00 9.06 H new ATOM 0 HE2 LYS A 126 23.253 11.294 7.862 1.00 9.72 H new ATOM 0 HE3 LYS A 126 24.909 10.994 8.352 1.00 9.72 H new ATOM 0 HZ1 LYS A 126 24.711 13.257 7.703 1.00 10.39 H new ATOM 0 HZ2 LYS A 126 25.624 12.471 6.506 1.00 10.39 H new ATOM 0 HZ3 LYS A 126 23.994 12.849 6.218 1.00 10.39 H new ATOM 1908 N ALA A 127 21.823 10.020 2.322 1.00 7.04 N ATOM 1909 CA ALA A 127 21.830 9.153 1.159 1.00 6.78 C ATOM 1910 C ALA A 127 23.222 8.792 0.727 1.00 7.69 C ATOM 1911 O ALA A 127 24.021 9.614 0.274 1.00 8.30 O ATOM 1912 CB ALA A 127 21.023 9.750 0.014 1.00 6.34 C ATOM 0 H ALA A 127 22.285 10.919 2.186 1.00 7.04 H new ATOM 0 HA ALA A 127 21.343 8.223 1.454 1.00 6.78 H new ATOM 0 HB1 ALA A 127 21.050 9.074 -0.841 1.00 6.34 H new ATOM 0 HB2 ALA A 127 19.990 9.892 0.332 1.00 6.34 H new ATOM 0 HB3 ALA A 127 21.451 10.712 -0.270 1.00 6.34 H new ATOM 1918 N GLY A 128 23.459 7.527 0.903 1.00 8.00 N ATOM 1919 CA GLY A 128 24.596 6.845 0.423 1.00 8.94 C ATOM 1920 C GLY A 128 24.360 6.301 -0.959 1.00 9.46 C ATOM 1921 O GLY A 128 23.270 6.412 -1.528 1.00 10.10 O ATOM 0 H GLY A 128 22.820 6.920 1.416 1.00 8.00 H new ATOM 0 HA2 GLY A 128 25.450 7.522 0.409 1.00 8.94 H new ATOM 0 HA3 GLY A 128 24.847 6.029 1.100 1.00 8.94 H new ATOM 1925 N ALA A 129 25.422 5.774 -1.467 1.00 9.37 N ATOM 1926 CA ALA A 129 25.605 5.366 -2.860 1.00 10.27 C ATOM 1927 C ALA A 129 24.436 4.582 -3.454 1.00 10.12 C ATOM 1928 O ALA A 129 23.605 4.025 -2.751 1.00 9.18 O ATOM 1929 CB ALA A 129 26.830 4.485 -2.912 1.00 10.61 C ATOM 0 H ALA A 129 26.252 5.596 -0.901 1.00 9.37 H new ATOM 0 HA ALA A 129 25.693 6.278 -3.450 1.00 10.27 H new ATOM 0 HB1 ALA A 129 27.000 4.159 -3.938 1.00 10.61 H new ATOM 0 HB2 ALA A 129 27.696 5.045 -2.561 1.00 10.61 H new ATOM 0 HB3 ALA A 129 26.679 3.614 -2.275 1.00 10.61 H new ATOM 1935 N THR A 130 24.411 4.522 -4.775 1.00 11.12 N ATOM 1936 CA THR A 130 23.362 3.833 -5.495 1.00 11.19 C ATOM 1937 C THR A 130 23.912 2.538 -6.062 1.00 12.15 C ATOM 1938 O THR A 130 24.999 2.513 -6.644 1.00 13.17 O ATOM 1939 CB THR A 130 22.807 4.705 -6.637 1.00 11.72 C ATOM 1940 OG1 THR A 130 22.492 6.014 -6.144 1.00 11.18 O ATOM 1941 CG2 THR A 130 21.566 4.078 -7.257 1.00 11.68 C ATOM 0 H THR A 130 25.117 4.950 -5.374 1.00 11.12 H new ATOM 0 HA THR A 130 22.547 3.622 -4.803 1.00 11.19 H new ATOM 0 HB THR A 130 23.574 4.779 -7.408 1.00 11.72 H new ATOM 0 HG1 THR A 130 22.141 6.564 -6.876 1.00 11.18 H new ATOM 0 HG21 THR A 130 21.198 4.717 -8.060 1.00 11.68 H new ATOM 0 HG22 THR A 130 21.817 3.097 -7.660 1.00 11.68 H new ATOM 0 HG23 THR A 130 20.793 3.971 -6.496 1.00 11.68 H new ATOM 1949 N ALA A 131 23.173 1.466 -5.876 1.00 11.92 N ATOM 1950 CA ALA A 131 23.635 0.158 -6.267 1.00 12.91 C ATOM 1951 C ALA A 131 22.480 -0.718 -6.739 1.00 12.98 C ATOM 1952 O ALA A 131 21.536 -0.970 -5.988 1.00 12.19 O ATOM 1953 CB ALA A 131 24.360 -0.480 -5.099 1.00 12.87 C ATOM 0 H ALA A 131 22.245 1.478 -5.454 1.00 11.92 H new ATOM 0 HA ALA A 131 24.323 0.259 -7.107 1.00 12.91 H new ATOM 0 HB1 ALA A 131 24.713 -1.470 -5.387 1.00 12.87 H new ATOM 0 HB2 ALA A 131 25.211 0.140 -4.816 1.00 12.87 H new ATOM 0 HB3 ALA A 131 23.679 -0.569 -4.253 1.00 12.87 H new ATOM 1959 N GLY A 132 22.551 -1.162 -7.987 1.00 14.01 N ATOM 1960 CA GLY A 132 21.519 -2.024 -8.539 1.00 14.34 C ATOM 1961 C GLY A 132 20.183 -1.320 -8.671 1.00 13.47 C ATOM 1962 O GLY A 132 19.128 -1.947 -8.580 1.00 13.23 O ATOM 0 H GLY A 132 23.309 -0.940 -8.632 1.00 14.01 H new ATOM 0 HA2 GLY A 132 21.835 -2.382 -9.519 1.00 14.34 H new ATOM 0 HA3 GLY A 132 21.403 -2.900 -7.901 1.00 14.34 H new ATOM 1966 N GLY A 133 20.228 -0.010 -8.876 1.00 13.12 N ATOM 1967 CA GLY A 133 19.006 0.762 -8.993 1.00 12.40 C ATOM 1968 C GLY A 133 18.424 1.119 -7.640 1.00 10.98 C ATOM 1969 O GLY A 133 17.333 1.682 -7.550 1.00 10.30 O ATOM 0 H GLY A 133 21.088 0.531 -8.963 1.00 13.12 H new ATOM 0 HA2 GLY A 133 19.207 1.675 -9.553 1.00 12.40 H new ATOM 0 HA3 GLY A 133 18.272 0.193 -9.564 1.00 12.40 H new ATOM 1973 N GLN A 134 19.149 0.787 -6.582 1.00 10.62 N ATOM 1974 CA GLN A 134 18.700 1.088 -5.235 1.00 9.33 C ATOM 1975 C GLN A 134 19.659 2.054 -4.571 1.00 8.96 C ATOM 1976 O GLN A 134 20.830 2.093 -4.920 1.00 9.81 O ATOM 1977 CB GLN A 134 18.577 -0.182 -4.392 1.00 9.38 C ATOM 1978 CG GLN A 134 17.558 -1.171 -4.933 1.00 9.89 C ATOM 1979 CD GLN A 134 17.510 -2.458 -4.137 1.00 10.08 C ATOM 1980 OE1 GLN A 134 18.225 -3.412 -4.436 1.00 10.39 O ATOM 1981 NE2 GLN A 134 16.663 -2.499 -3.122 1.00 10.17 N ATOM 0 H GLN A 134 20.049 0.310 -6.632 1.00 10.62 H new ATOM 0 HA GLN A 134 17.713 1.546 -5.306 1.00 9.33 H new ATOM 0 HB2 GLN A 134 19.551 -0.669 -4.338 1.00 9.38 H new ATOM 0 HB3 GLN A 134 18.301 0.092 -3.374 1.00 9.38 H new ATOM 0 HG2 GLN A 134 16.571 -0.709 -4.927 1.00 9.89 H new ATOM 0 HG3 GLN A 134 17.797 -1.400 -5.972 1.00 9.89 H new ATOM 0 HE21 GLN A 134 16.086 -1.686 -2.906 1.00 10.17 H new ATOM 0 HE22 GLN A 134 16.586 -3.344 -2.556 1.00 10.17 H new ATOM 1990 N SER A 135 19.180 2.822 -3.621 1.00 7.82 N ATOM 1991 CA SER A 135 20.035 3.751 -2.924 1.00 7.56 C ATOM 1992 C SER A 135 20.425 3.223 -1.549 1.00 7.12 C ATOM 1993 O SER A 135 19.677 2.470 -0.920 1.00 6.78 O ATOM 1994 CB SER A 135 19.368 5.118 -2.807 1.00 6.91 C ATOM 1995 OG SER A 135 19.172 5.700 -4.081 1.00 6.85 O ATOM 0 H SER A 135 18.207 2.822 -3.315 1.00 7.82 H new ATOM 0 HA SER A 135 20.948 3.863 -3.509 1.00 7.56 H new ATOM 0 HB2 SER A 135 18.409 5.016 -2.299 1.00 6.91 H new ATOM 0 HB3 SER A 135 19.985 5.776 -2.194 1.00 6.91 H new ATOM 0 HG SER A 135 19.365 6.660 -4.035 1.00 6.85 H new ATOM 2001 N GLU A 136 21.607 3.601 -1.109 1.00 7.39 N ATOM 2002 CA GLU A 136 22.067 3.296 0.232 1.00 7.25 C ATOM 2003 C GLU A 136 21.563 4.364 1.204 1.00 6.42 C ATOM 2004 O GLU A 136 22.000 5.496 1.170 1.00 6.54 O ATOM 2005 CB GLU A 136 23.610 3.225 0.251 1.00 8.31 C ATOM 2006 CG GLU A 136 24.175 1.950 -0.350 1.00 9.31 C ATOM 2007 CD GLU A 136 25.601 1.685 0.092 1.00 10.29 C ATOM 2008 OE1 GLU A 136 26.490 2.500 -0.238 1.00 10.69 O ATOM 2009 OE2 GLU A 136 25.854 0.652 0.743 1.00 10.79 O1- ATOM 0 H GLU A 136 22.277 4.128 -1.670 1.00 7.39 H new ATOM 0 HA GLU A 136 21.672 2.329 0.543 1.00 7.25 H new ATOM 0 HB2 GLU A 136 24.010 4.080 -0.294 1.00 8.31 H new ATOM 0 HB3 GLU A 136 23.955 3.314 1.281 1.00 8.31 H new ATOM 0 HG2 GLU A 136 23.546 1.107 -0.064 1.00 9.31 H new ATOM 0 HG3 GLU A 136 24.141 2.018 -1.437 1.00 9.31 H new ATOM 2016 N ILE A 137 20.607 4.027 2.041 1.00 5.86 N ATOM 2017 CA ILE A 137 20.118 4.981 3.029 1.00 5.49 C ATOM 2018 C ILE A 137 20.876 4.824 4.332 1.00 6.25 C ATOM 2019 O ILE A 137 20.806 3.792 5.004 1.00 6.73 O ATOM 2020 CB ILE A 137 18.596 4.870 3.254 1.00 4.93 C ATOM 2021 CG1 ILE A 137 17.855 5.344 2.003 1.00 4.16 C ATOM 2022 CG2 ILE A 137 18.151 5.673 4.477 1.00 5.24 C ATOM 2023 CD1 ILE A 137 18.246 6.740 1.561 1.00 4.21 C ATOM 0 H ILE A 137 20.154 3.114 2.064 1.00 5.86 H new ATOM 0 HA ILE A 137 20.300 5.981 2.634 1.00 5.49 H new ATOM 0 HB ILE A 137 18.353 3.825 3.443 1.00 4.93 H new ATOM 0 HG12 ILE A 137 18.050 4.646 1.189 1.00 4.16 H new ATOM 0 HG13 ILE A 137 16.782 5.319 2.195 1.00 4.16 H new ATOM 0 HG21 ILE A 137 17.073 5.572 4.606 1.00 5.24 H new ATOM 0 HG22 ILE A 137 18.659 5.296 5.364 1.00 5.24 H new ATOM 0 HG23 ILE A 137 18.403 6.724 4.334 1.00 5.24 H new ATOM 0 HD11 ILE A 137 17.682 7.011 0.669 1.00 4.21 H new ATOM 0 HD12 ILE A 137 18.026 7.449 2.359 1.00 4.21 H new ATOM 0 HD13 ILE A 137 19.312 6.765 1.337 1.00 4.21 H new ATOM 2035 N LEU A 138 21.622 5.864 4.655 1.00 6.60 N ATOM 2036 CA LEU A 138 22.532 5.860 5.784 1.00 7.40 C ATOM 2037 C LEU A 138 21.813 6.262 7.056 1.00 7.59 C ATOM 2038 O LEU A 138 21.933 5.599 8.087 1.00 8.21 O ATOM 2039 CB LEU A 138 23.695 6.814 5.495 1.00 7.87 C ATOM 2040 CG LEU A 138 24.790 6.303 4.538 1.00 8.31 C ATOM 2041 CD1 LEU A 138 24.234 5.434 3.423 1.00 7.93 C ATOM 2042 CD2 LEU A 138 25.549 7.477 3.948 1.00 8.79 C ATOM 0 H LEU A 138 21.613 6.742 4.136 1.00 6.60 H new ATOM 0 HA LEU A 138 22.920 4.852 5.929 1.00 7.40 H new ATOM 0 HB2 LEU A 138 23.284 7.735 5.081 1.00 7.87 H new ATOM 0 HB3 LEU A 138 24.166 7.073 6.443 1.00 7.87 H new ATOM 0 HG LEU A 138 25.464 5.679 5.125 1.00 8.31 H new ATOM 0 HD11 LEU A 138 25.049 5.102 2.780 1.00 7.93 H new ATOM 0 HD12 LEU A 138 23.735 4.566 3.853 1.00 7.93 H new ATOM 0 HD13 LEU A 138 23.519 6.010 2.835 1.00 7.93 H new ATOM 0 HD21 LEU A 138 26.321 7.109 3.273 1.00 8.79 H new ATOM 0 HD22 LEU A 138 24.859 8.116 3.396 1.00 8.79 H new ATOM 0 HD23 LEU A 138 26.012 8.051 4.750 1.00 8.79 H new ATOM 2054 N GLU A 139 21.058 7.341 6.971 1.00 7.31 N ATOM 2055 CA GLU A 139 20.298 7.838 8.103 1.00 7.84 C ATOM 2056 C GLU A 139 18.991 8.404 7.608 1.00 7.45 C ATOM 2057 O GLU A 139 18.828 8.603 6.414 1.00 6.77 O ATOM 2058 CB GLU A 139 21.074 8.916 8.862 1.00 8.66 C ATOM 2059 CG GLU A 139 22.162 8.363 9.762 1.00 9.21 C ATOM 2060 CD GLU A 139 22.895 9.444 10.526 1.00 9.98 C ATOM 2061 OE1 GLU A 139 22.286 10.063 11.423 1.00 10.44 O ATOM 2062 OE2 GLU A 139 24.084 9.683 10.235 1.00 10.28 O1- ATOM 0 H GLU A 139 20.954 7.895 6.121 1.00 7.31 H new ATOM 0 HA GLU A 139 20.114 7.011 8.789 1.00 7.84 H new ATOM 0 HB2 GLU A 139 21.523 9.602 8.144 1.00 8.66 H new ATOM 0 HB3 GLU A 139 20.376 9.497 9.465 1.00 8.66 H new ATOM 0 HG2 GLU A 139 21.721 7.660 10.469 1.00 9.21 H new ATOM 0 HG3 GLU A 139 22.876 7.802 9.159 1.00 9.21 H new ATOM 2069 N GLY A 140 18.068 8.664 8.506 1.00 8.06 N ATOM 2070 CA GLY A 140 16.838 9.295 8.101 1.00 8.05 C ATOM 2071 C GLY A 140 15.626 8.413 8.275 1.00 8.05 C ATOM 2072 O GLY A 140 14.832 8.603 9.196 1.00 8.87 O ATOM 0 H GLY A 140 18.144 8.453 9.501 1.00 8.06 H new ATOM 0 HA2 GLY A 140 16.699 10.208 8.679 1.00 8.05 H new ATOM 0 HA3 GLY A 140 16.917 9.589 7.054 1.00 8.05 H new ATOM 2076 N LEU A 141 15.498 7.436 7.396 1.00 7.34 N ATOM 2077 CA LEU A 141 14.296 6.663 7.282 1.00 7.46 C ATOM 2078 C LEU A 141 14.418 5.337 8.053 1.00 8.16 C ATOM 2079 O LEU A 141 15.469 5.053 8.624 1.00 8.50 O ATOM 2080 CB LEU A 141 14.035 6.474 5.791 1.00 6.40 C ATOM 2081 CG LEU A 141 12.810 5.688 5.414 1.00 6.03 C ATOM 2082 CD1 LEU A 141 11.542 6.366 5.922 1.00 5.58 C ATOM 2083 CD2 LEU A 141 12.770 5.509 3.907 1.00 6.58 C ATOM 0 H LEU A 141 16.233 7.163 6.743 1.00 7.34 H new ATOM 0 HA LEU A 141 13.445 7.172 7.734 1.00 7.46 H new ATOM 0 HB2 LEU A 141 13.962 7.459 5.331 1.00 6.40 H new ATOM 0 HB3 LEU A 141 14.903 5.981 5.353 1.00 6.40 H new ATOM 0 HG LEU A 141 12.860 4.707 5.886 1.00 6.03 H new ATOM 0 HD11 LEU A 141 10.673 5.775 5.634 1.00 5.58 H new ATOM 0 HD12 LEU A 141 11.583 6.446 7.008 1.00 5.58 H new ATOM 0 HD13 LEU A 141 11.463 7.362 5.487 1.00 5.58 H new ATOM 0 HD21 LEU A 141 11.882 4.939 3.632 1.00 6.58 H new ATOM 0 HD22 LEU A 141 12.738 6.486 3.425 1.00 6.58 H new ATOM 0 HD23 LEU A 141 13.661 4.973 3.581 1.00 6.58 H new ATOM 2095 N LYS A 142 13.363 4.525 8.073 1.00 8.54 N ATOM 2096 CA LYS A 142 13.358 3.324 8.902 1.00 9.51 C ATOM 2097 C LYS A 142 12.768 2.129 8.174 1.00 9.48 C ATOM 2098 O LYS A 142 11.879 2.264 7.340 1.00 8.97 O ATOM 2099 CB LYS A 142 12.541 3.592 10.164 1.00 10.71 C ATOM 2100 CG LYS A 142 12.682 2.535 11.247 1.00 11.83 C ATOM 2101 CD LYS A 142 14.052 2.586 11.903 1.00 12.89 C ATOM 2102 CE LYS A 142 14.122 1.693 13.132 1.00 13.50 C ATOM 2103 NZ LYS A 142 13.880 0.262 12.808 1.00 14.15 N1+ ATOM 0 H LYS A 142 12.511 4.674 7.532 1.00 8.54 H new ATOM 0 HA LYS A 142 14.392 3.086 9.150 1.00 9.51 H new ATOM 0 HB2 LYS A 142 12.839 4.556 10.575 1.00 10.71 H new ATOM 0 HB3 LYS A 142 11.489 3.674 9.889 1.00 10.71 H new ATOM 0 HG2 LYS A 142 11.910 2.682 12.003 1.00 11.83 H new ATOM 0 HG3 LYS A 142 12.521 1.547 10.815 1.00 11.83 H new ATOM 0 HD2 LYS A 142 14.811 2.276 11.185 1.00 12.89 H new ATOM 0 HD3 LYS A 142 14.282 3.613 12.186 1.00 12.89 H new ATOM 0 HE2 LYS A 142 15.102 1.796 13.597 1.00 13.50 H new ATOM 0 HE3 LYS A 142 13.385 2.027 13.863 1.00 13.50 H new ATOM 0 HZ1 LYS A 142 14.021 -0.316 13.661 1.00 14.15 H new ATOM 0 HZ2 LYS A 142 12.905 0.143 12.467 1.00 14.15 H new ATOM 0 HZ3 LYS A 142 14.545 -0.044 12.069 1.00 14.15 H new ATOM 2117 N ALA A 143 13.283 0.957 8.533 1.00 10.19 N ATOM 2118 CA ALA A 143 12.856 -0.313 7.962 1.00 10.49 C ATOM 2119 C ALA A 143 11.441 -0.642 8.382 1.00 11.20 C ATOM 2120 O ALA A 143 11.039 -0.362 9.511 1.00 12.12 O ATOM 2121 CB ALA A 143 13.784 -1.427 8.395 1.00 11.37 C ATOM 0 H ALA A 143 14.016 0.863 9.236 1.00 10.19 H new ATOM 0 HA ALA A 143 12.889 -0.220 6.876 1.00 10.49 H new ATOM 0 HB1 ALA A 143 13.450 -2.369 7.959 1.00 11.37 H new ATOM 0 HB2 ALA A 143 14.797 -1.209 8.056 1.00 11.37 H new ATOM 0 HB3 ALA A 143 13.774 -1.507 9.482 1.00 11.37 H new ATOM 2127 N GLY A 144 10.689 -1.240 7.475 1.00 10.88 N ATOM 2128 CA GLY A 144 9.325 -1.600 7.776 1.00 11.54 C ATOM 2129 C GLY A 144 8.365 -0.464 7.511 1.00 10.82 C ATOM 2130 O GLY A 144 7.166 -0.584 7.761 1.00 11.32 O ATOM 0 H GLY A 144 11.000 -1.482 6.534 1.00 10.88 H new ATOM 0 HA2 GLY A 144 9.038 -2.464 7.176 1.00 11.54 H new ATOM 0 HA3 GLY A 144 9.252 -1.899 8.822 1.00 11.54 H new ATOM 2134 N GLN A 145 8.890 0.655 7.029 1.00 9.74 N ATOM 2135 CA GLN A 145 8.062 1.774 6.652 1.00 9.10 C ATOM 2136 C GLN A 145 7.949 1.835 5.145 1.00 8.05 C ATOM 2137 O GLN A 145 8.839 1.372 4.436 1.00 7.35 O ATOM 2138 CB GLN A 145 8.628 3.079 7.204 1.00 8.76 C ATOM 2139 CG GLN A 145 8.838 3.045 8.707 1.00 9.88 C ATOM 2140 CD GLN A 145 7.536 3.123 9.487 1.00 10.75 C ATOM 2141 OE1 GLN A 145 6.566 3.742 9.049 1.00 11.13 O ATOM 2142 NE2 GLN A 145 7.504 2.488 10.645 1.00 11.24 N ATOM 0 H GLN A 145 9.890 0.804 6.893 1.00 9.74 H new ATOM 0 HA GLN A 145 7.068 1.637 7.078 1.00 9.10 H new ATOM 0 HB2 GLN A 145 9.578 3.292 6.715 1.00 8.76 H new ATOM 0 HB3 GLN A 145 7.951 3.896 6.956 1.00 8.76 H new ATOM 0 HG2 GLN A 145 9.362 2.128 8.975 1.00 9.88 H new ATOM 0 HG3 GLN A 145 9.481 3.876 8.998 1.00 9.88 H new ATOM 0 HE21 GLN A 145 8.329 1.986 10.974 1.00 11.24 H new ATOM 0 HE22 GLN A 145 6.655 2.500 11.210 1.00 11.24 H new ATOM 2151 N GLN A 146 6.869 2.383 4.661 1.00 8.12 N ATOM 2152 CA GLN A 146 6.659 2.511 3.233 1.00 7.34 C ATOM 2153 C GLN A 146 7.045 3.897 2.740 1.00 6.41 C ATOM 2154 O GLN A 146 6.789 4.894 3.402 1.00 6.79 O ATOM 2155 CB GLN A 146 5.191 2.264 2.919 1.00 8.14 C ATOM 2156 CG GLN A 146 4.814 0.807 2.939 1.00 9.01 C ATOM 2157 CD GLN A 146 3.339 0.581 2.680 1.00 9.89 C ATOM 2158 OE1 GLN A 146 2.697 1.357 1.973 1.00 10.17 O ATOM 2159 NE2 GLN A 146 2.793 -0.479 3.249 1.00 10.49 N ATOM 0 H GLN A 146 6.111 2.753 5.234 1.00 8.12 H new ATOM 0 HA GLN A 146 7.288 1.778 2.728 1.00 7.34 H new ATOM 0 HB2 GLN A 146 4.577 2.801 3.642 1.00 8.14 H new ATOM 0 HB3 GLN A 146 4.962 2.678 1.937 1.00 8.14 H new ATOM 0 HG2 GLN A 146 5.396 0.275 2.187 1.00 9.01 H new ATOM 0 HG3 GLN A 146 5.078 0.381 3.907 1.00 9.01 H new ATOM 0 HE21 GLN A 146 3.362 -1.097 3.828 1.00 10.49 H new ATOM 0 HE22 GLN A 146 1.803 -0.680 3.109 1.00 10.49 H new ATOM 2168 N VAL A 147 7.670 3.948 1.581 1.00 5.45 N ATOM 2169 CA VAL A 147 7.992 5.218 0.939 1.00 4.76 C ATOM 2170 C VAL A 147 7.638 5.158 -0.532 1.00 4.67 C ATOM 2171 O VAL A 147 7.771 4.109 -1.167 1.00 4.76 O ATOM 2172 CB VAL A 147 9.478 5.611 1.098 1.00 3.89 C ATOM 2173 CG1 VAL A 147 9.757 6.044 2.525 1.00 4.21 C ATOM 2174 CG2 VAL A 147 10.396 4.464 0.692 1.00 3.49 C ATOM 0 H VAL A 147 7.968 3.124 1.058 1.00 5.45 H new ATOM 0 HA VAL A 147 7.400 5.984 1.440 1.00 4.76 H new ATOM 0 HB VAL A 147 9.682 6.450 0.433 1.00 3.89 H new ATOM 0 HG11 VAL A 147 10.807 6.318 2.623 1.00 4.21 H new ATOM 0 HG12 VAL A 147 9.133 6.903 2.773 1.00 4.21 H new ATOM 0 HG13 VAL A 147 9.531 5.223 3.205 1.00 4.21 H new ATOM 0 HG21 VAL A 147 11.435 4.769 0.814 1.00 3.49 H new ATOM 0 HG22 VAL A 147 10.196 3.597 1.322 1.00 3.49 H new ATOM 0 HG23 VAL A 147 10.214 4.204 -0.351 1.00 3.49 H new ATOM 2184 N VAL A 148 7.168 6.277 -1.060 1.00 4.95 N ATOM 2185 CA VAL A 148 6.702 6.337 -2.437 1.00 5.28 C ATOM 2186 C VAL A 148 7.853 6.161 -3.421 1.00 4.93 C ATOM 2187 O VAL A 148 8.886 6.817 -3.322 1.00 4.74 O ATOM 2188 CB VAL A 148 5.960 7.661 -2.736 1.00 6.08 C ATOM 2189 CG1 VAL A 148 4.696 7.767 -1.898 1.00 6.56 C ATOM 2190 CG2 VAL A 148 6.860 8.862 -2.488 1.00 6.56 C ATOM 0 H VAL A 148 7.099 7.160 -0.554 1.00 4.95 H new ATOM 0 HA VAL A 148 6.000 5.513 -2.564 1.00 5.28 H new ATOM 0 HB VAL A 148 5.681 7.657 -3.790 1.00 6.08 H new ATOM 0 HG11 VAL A 148 4.188 8.705 -2.123 1.00 6.56 H new ATOM 0 HG12 VAL A 148 4.035 6.932 -2.130 1.00 6.56 H new ATOM 0 HG13 VAL A 148 4.957 7.740 -0.840 1.00 6.56 H new ATOM 0 HG21 VAL A 148 6.312 9.779 -2.706 1.00 6.56 H new ATOM 0 HG22 VAL A 148 7.178 8.869 -1.446 1.00 6.56 H new ATOM 0 HG23 VAL A 148 7.736 8.800 -3.134 1.00 6.56 H new ATOM 2200 N VAL A 149 7.666 5.254 -4.365 1.00 5.25 N ATOM 2201 CA VAL A 149 8.672 4.971 -5.377 1.00 5.51 C ATOM 2202 C VAL A 149 8.069 5.206 -6.753 1.00 6.47 C ATOM 2203 O VAL A 149 8.504 4.656 -7.766 1.00 6.99 O ATOM 2204 CB VAL A 149 9.204 3.525 -5.237 1.00 5.65 C ATOM 2205 CG1 VAL A 149 9.433 3.220 -3.776 1.00 5.29 C ATOM 2206 CG2 VAL A 149 8.258 2.492 -5.832 1.00 6.22 C ATOM 0 H VAL A 149 6.817 4.695 -4.452 1.00 5.25 H new ATOM 0 HA VAL A 149 9.522 5.640 -5.241 1.00 5.51 H new ATOM 0 HB VAL A 149 10.138 3.463 -5.795 1.00 5.65 H new ATOM 0 HG11 VAL A 149 9.808 2.202 -3.671 1.00 5.29 H new ATOM 0 HG12 VAL A 149 10.163 3.919 -3.368 1.00 5.29 H new ATOM 0 HG13 VAL A 149 8.493 3.318 -3.232 1.00 5.29 H new ATOM 0 HG21 VAL A 149 8.681 1.496 -5.706 1.00 6.22 H new ATOM 0 HG22 VAL A 149 7.295 2.544 -5.323 1.00 6.22 H new ATOM 0 HG23 VAL A 149 8.119 2.695 -6.894 1.00 6.22 H new ATOM 2234 N GLN A 152 9.129 5.522 -10.929 1.00 8.97 N ATOM 2235 CA GLN A 152 9.202 4.511 -11.975 1.00 9.41 C ATOM 2236 C GLN A 152 8.505 3.240 -11.504 1.00 9.73 C ATOM 2237 O GLN A 152 8.623 2.855 -10.339 1.00 9.97 O ATOM 2238 CB GLN A 152 10.662 4.216 -12.323 1.00 10.01 C ATOM 2239 CG GLN A 152 10.837 3.117 -13.360 1.00 10.63 C ATOM 2240 CD GLN A 152 12.287 2.871 -13.722 1.00 11.38 C ATOM 2241 OE1 GLN A 152 12.970 2.056 -13.099 1.00 11.71 O ATOM 2242 NE2 GLN A 152 12.770 3.567 -14.739 1.00 11.84 N ATOM 0 HA GLN A 152 8.702 4.883 -12.869 1.00 9.41 H new ATOM 0 HB2 GLN A 152 11.129 5.129 -12.693 1.00 10.01 H new ATOM 0 HB3 GLN A 152 11.192 3.932 -11.414 1.00 10.01 H new ATOM 0 HG2 GLN A 152 10.401 2.193 -12.979 1.00 10.63 H new ATOM 0 HG3 GLN A 152 10.283 3.383 -14.260 1.00 10.63 H new ATOM 0 HE21 GLN A 152 12.174 4.233 -15.230 1.00 11.84 H new ATOM 0 HE22 GLN A 152 13.739 3.438 -15.031 1.00 11.84 H new ATOM 2251 N PHE A 153 7.767 2.603 -12.400 1.00 9.95 N ATOM 2252 CA PHE A 153 7.009 1.405 -12.060 1.00 10.47 C ATOM 2253 C PHE A 153 6.679 0.601 -13.310 1.00 10.93 C ATOM 2254 O PHE A 153 6.924 1.060 -14.422 1.00 11.34 O ATOM 2255 CB PHE A 153 5.726 1.777 -11.309 1.00 10.62 C ATOM 2256 CG PHE A 153 5.062 3.022 -11.833 1.00 11.04 C ATOM 2257 CD1 PHE A 153 4.411 3.021 -13.055 1.00 11.41 C ATOM 2258 CD2 PHE A 153 5.095 4.195 -11.097 1.00 11.27 C ATOM 2259 CE1 PHE A 153 3.807 4.166 -13.535 1.00 12.02 C ATOM 2260 CE2 PHE A 153 4.492 5.343 -11.573 1.00 11.87 C ATOM 2261 CZ PHE A 153 3.848 5.328 -12.793 1.00 12.24 C ATOM 0 H PHE A 153 7.676 2.896 -13.373 1.00 9.95 H new ATOM 0 HA PHE A 153 7.626 0.786 -11.409 1.00 10.47 H new ATOM 0 HB2 PHE A 153 5.023 0.946 -11.373 1.00 10.62 H new ATOM 0 HB3 PHE A 153 5.960 1.916 -10.254 1.00 10.62 H new ATOM 0 HD1 PHE A 153 4.375 2.114 -13.640 1.00 11.41 H new ATOM 0 HD2 PHE A 153 5.597 4.212 -10.141 1.00 11.27 H new ATOM 0 HE1 PHE A 153 3.303 4.152 -14.490 1.00 12.02 H new ATOM 0 HE2 PHE A 153 4.525 6.252 -10.990 1.00 11.87 H new ATOM 0 HZ PHE A 153 3.377 6.225 -13.167 1.00 12.24 H new ATOM 2271 N LEU A 154 6.108 -0.584 -13.133 1.00 11.05 N ATOM 2272 CA LEU A 154 5.754 -1.424 -14.269 1.00 11.63 C ATOM 2273 C LEU A 154 4.244 -1.437 -14.507 1.00 11.39 C ATOM 2274 O LEU A 154 3.592 -2.480 -14.420 1.00 11.57 O ATOM 2275 CB LEU A 154 6.280 -2.849 -14.081 1.00 12.16 C ATOM 2276 CG LEU A 154 7.805 -2.986 -14.097 1.00 12.68 C ATOM 2277 CD1 LEU A 154 8.215 -4.406 -13.749 1.00 13.16 C ATOM 2278 CD2 LEU A 154 8.362 -2.595 -15.458 1.00 13.04 C ATOM 0 H LEU A 154 5.882 -0.982 -12.222 1.00 11.05 H new ATOM 0 HA LEU A 154 6.228 -0.995 -15.152 1.00 11.63 H new ATOM 0 HB2 LEU A 154 5.906 -3.236 -13.133 1.00 12.16 H new ATOM 0 HB3 LEU A 154 5.866 -3.479 -14.868 1.00 12.16 H new ATOM 0 HG LEU A 154 8.217 -2.311 -13.347 1.00 12.68 H new ATOM 0 HD11 LEU A 154 9.302 -4.485 -13.765 1.00 13.16 H new ATOM 0 HD12 LEU A 154 7.848 -4.657 -12.754 1.00 13.16 H new ATOM 0 HD13 LEU A 154 7.790 -5.096 -14.478 1.00 13.16 H new ATOM 0 HD21 LEU A 154 9.447 -2.699 -15.450 1.00 13.04 H new ATOM 0 HD22 LEU A 154 7.941 -3.246 -16.224 1.00 13.04 H new ATOM 0 HD23 LEU A 154 8.098 -1.560 -15.676 1.00 13.04 H new ATOM 2290 N ILE A 155 3.696 -0.270 -14.802 1.00 11.17 N ATOM 2291 CA ILE A 155 2.305 -0.162 -15.229 1.00 11.08 C ATOM 2292 C ILE A 155 2.156 1.026 -16.180 1.00 10.31 C ATOM 2293 O ILE A 155 1.069 1.326 -16.679 1.00 9.93 O ATOM 2294 CB ILE A 155 1.334 -0.022 -14.026 1.00 11.39 C ATOM 2295 CG1 ILE A 155 -0.120 -0.215 -14.477 1.00 11.61 C ATOM 2296 CG2 ILE A 155 1.506 1.329 -13.344 1.00 11.66 C ATOM 2297 CD1 ILE A 155 -1.127 -0.131 -13.351 1.00 11.95 C ATOM 0 H ILE A 155 4.192 0.620 -14.754 1.00 11.17 H new ATOM 0 HA ILE A 155 2.037 -1.083 -15.747 1.00 11.08 H new ATOM 0 HB ILE A 155 1.577 -0.802 -13.304 1.00 11.39 H new ATOM 0 HG12 ILE A 155 -0.362 0.541 -15.225 1.00 11.61 H new ATOM 0 HG13 ILE A 155 -0.213 -1.186 -14.963 1.00 11.61 H new ATOM 0 HG21 ILE A 155 0.815 1.403 -12.504 1.00 11.66 H new ATOM 0 HG22 ILE A 155 2.529 1.426 -12.981 1.00 11.66 H new ATOM 0 HG23 ILE A 155 1.297 2.126 -14.058 1.00 11.66 H new ATOM 0 HD11 ILE A 155 -2.131 -0.277 -13.749 1.00 11.95 H new ATOM 0 HD12 ILE A 155 -0.913 -0.904 -12.613 1.00 11.95 H new ATOM 0 HD13 ILE A 155 -1.063 0.849 -12.878 1.00 11.95 H new ATOM 2309 N ASP A 156 3.279 1.676 -16.469 1.00 10.31 N ATOM 2310 CA ASP A 156 3.277 2.868 -17.306 1.00 9.81 C ATOM 2311 C ASP A 156 3.022 2.502 -18.760 1.00 9.63 C ATOM 2312 O ASP A 156 2.675 3.372 -19.560 1.00 9.09 O ATOM 2313 CB ASP A 156 4.593 3.634 -17.181 1.00 10.26 C ATOM 2314 CG ASP A 156 5.777 2.827 -17.666 1.00 10.68 C ATOM 2315 OD1 ASP A 156 6.116 1.813 -17.025 1.00 11.22 O ATOM 2316 OD2 ASP A 156 6.370 3.204 -18.692 1.00 10.64 O1- ATOM 0 H ASP A 156 4.201 1.396 -16.135 1.00 10.31 H new ATOM 0 HA ASP A 156 2.471 3.515 -16.959 1.00 9.81 H new ATOM 0 HB2 ASP A 156 4.528 4.559 -17.754 1.00 10.26 H new ATOM 0 HB3 ASP A 156 4.750 3.914 -16.139 1.00 10.26 H new ATOM 2321 N SER A 157 3.177 1.234 -19.104 1.00 10.26 N ATOM 2322 CA SER A 157 2.834 0.779 -20.440 1.00 10.38 C ATOM 2323 C SER A 157 1.369 1.100 -20.729 1.00 9.63 C ATOM 2324 O SER A 157 1.023 1.626 -21.792 1.00 9.37 O ATOM 2325 CB SER A 157 3.102 -0.723 -20.560 1.00 11.42 C ATOM 2326 OG SER A 157 2.622 -1.416 -19.419 1.00 11.90 O ATOM 0 H SER A 157 3.535 0.508 -18.483 1.00 10.26 H new ATOM 0 HA SER A 157 3.452 1.295 -21.175 1.00 10.38 H new ATOM 0 HB2 SER A 157 2.619 -1.112 -21.456 1.00 11.42 H new ATOM 0 HB3 SER A 157 4.172 -0.898 -20.673 1.00 11.42 H new ATOM 0 HG SER A 157 2.802 -2.374 -19.518 1.00 11.90 H new ATOM 2332 N GLU A 158 0.527 0.846 -19.735 1.00 9.47 N ATOM 2333 CA GLU A 158 -0.890 1.094 -19.850 1.00 9.00 C ATOM 2334 C GLU A 158 -1.139 2.581 -19.723 1.00 8.03 C ATOM 2335 O GLU A 158 -1.990 3.151 -20.395 1.00 7.69 O ATOM 2336 CB GLU A 158 -1.641 0.340 -18.756 1.00 9.38 C ATOM 2337 CG GLU A 158 -3.148 0.451 -18.872 1.00 10.19 C ATOM 2338 CD GLU A 158 -3.868 -0.311 -17.785 1.00 10.79 C ATOM 2339 OE1 GLU A 158 -3.695 -1.543 -17.706 1.00 11.06 O ATOM 2340 OE2 GLU A 158 -4.618 0.317 -17.015 1.00 11.17 O1- ATOM 0 H GLU A 158 0.813 0.464 -18.834 1.00 9.47 H new ATOM 0 HA GLU A 158 -1.248 0.745 -20.819 1.00 9.00 H new ATOM 0 HB2 GLU A 158 -1.358 -0.712 -18.791 1.00 9.38 H new ATOM 0 HB3 GLU A 158 -1.330 0.722 -17.783 1.00 9.38 H new ATOM 0 HG2 GLU A 158 -3.436 1.501 -18.828 1.00 10.19 H new ATOM 0 HG3 GLU A 158 -3.463 0.075 -19.845 1.00 10.19 H new ATOM 2347 N ALA A 159 -0.341 3.198 -18.850 1.00 7.82 N ATOM 2348 CA ALA A 159 -0.443 4.617 -18.559 1.00 7.20 C ATOM 2349 C ALA A 159 -0.222 5.457 -19.802 1.00 7.12 C ATOM 2350 O ALA A 159 -0.737 6.565 -19.908 1.00 6.81 O ATOM 2351 CB ALA A 159 0.547 5.013 -17.474 1.00 7.44 C ATOM 0 H ALA A 159 0.394 2.721 -18.327 1.00 7.82 H new ATOM 0 HA ALA A 159 -1.455 4.807 -18.201 1.00 7.20 H new ATOM 0 HB1 ALA A 159 0.456 6.080 -17.270 1.00 7.44 H new ATOM 0 HB2 ALA A 159 0.335 4.450 -16.565 1.00 7.44 H new ATOM 0 HB3 ALA A 159 1.561 4.793 -17.809 1.00 7.44 H new ATOM 2357 N SER A 160 0.544 4.927 -20.740 1.00 7.72 N ATOM 2358 CA SER A 160 0.774 5.608 -21.995 1.00 8.04 C ATOM 2359 C SER A 160 -0.421 5.425 -22.930 1.00 7.99 C ATOM 2360 O SER A 160 -0.824 6.356 -23.627 1.00 8.08 O ATOM 2361 CB SER A 160 2.059 5.086 -22.649 1.00 8.99 C ATOM 2362 OG SER A 160 2.360 5.802 -23.834 1.00 9.64 O ATOM 0 H SER A 160 1.016 4.027 -20.653 1.00 7.72 H new ATOM 0 HA SER A 160 0.892 6.674 -21.800 1.00 8.04 H new ATOM 0 HB2 SER A 160 2.889 5.174 -21.947 1.00 8.99 H new ATOM 0 HB3 SER A 160 1.948 4.027 -22.880 1.00 8.99 H new ATOM 0 HG SER A 160 3.185 5.449 -24.229 1.00 9.64 H new ATOM 2368 N LEU A 161 -1.015 4.240 -22.915 1.00 8.10 N ATOM 2369 CA LEU A 161 -2.104 3.922 -23.826 1.00 8.40 C ATOM 2370 C LEU A 161 -3.434 4.499 -23.342 1.00 7.89 C ATOM 2371 O LEU A 161 -4.316 4.793 -24.145 1.00 8.18 O ATOM 2372 CB LEU A 161 -2.216 2.408 -23.992 1.00 9.04 C ATOM 2373 CG LEU A 161 -0.944 1.714 -24.484 1.00 9.80 C ATOM 2374 CD1 LEU A 161 -1.175 0.220 -24.619 1.00 10.57 C ATOM 2375 CD2 LEU A 161 -0.487 2.307 -25.809 1.00 10.37 C ATOM 0 H LEU A 161 -0.760 3.483 -22.281 1.00 8.10 H new ATOM 0 HA LEU A 161 -1.879 4.379 -24.790 1.00 8.40 H new ATOM 0 HB2 LEU A 161 -2.502 1.973 -23.034 1.00 9.04 H new ATOM 0 HB3 LEU A 161 -3.023 2.193 -24.693 1.00 9.04 H new ATOM 0 HG LEU A 161 -0.156 1.877 -23.748 1.00 9.80 H new ATOM 0 HD11 LEU A 161 -0.261 -0.259 -24.970 1.00 10.57 H new ATOM 0 HD12 LEU A 161 -1.453 -0.194 -23.650 1.00 10.57 H new ATOM 0 HD13 LEU A 161 -1.977 0.039 -25.334 1.00 10.57 H new ATOM 0 HD21 LEU A 161 0.419 1.800 -26.142 1.00 10.37 H new ATOM 0 HD22 LEU A 161 -1.271 2.177 -26.555 1.00 10.37 H new ATOM 0 HD23 LEU A 161 -0.281 3.370 -25.680 1.00 10.37 H new ATOM 2387 N ARG A 162 -3.567 4.682 -22.030 1.00 7.38 N ATOM 2388 CA ARG A 162 -4.798 5.202 -21.444 1.00 7.17 C ATOM 2389 C ARG A 162 -4.961 6.702 -21.684 1.00 6.87 C ATOM 2390 O ARG A 162 -5.923 7.312 -21.220 1.00 6.95 O ATOM 2391 CB ARG A 162 -4.829 4.921 -19.941 1.00 7.15 C ATOM 2392 CG ARG A 162 -3.604 5.436 -19.218 1.00 7.34 C ATOM 2393 CD ARG A 162 -3.744 5.358 -17.702 1.00 7.40 C ATOM 2394 NE ARG A 162 -4.063 4.013 -17.216 1.00 7.84 N ATOM 2395 CZ ARG A 162 -4.246 3.719 -15.924 1.00 8.24 C ATOM 2396 NH1 ARG A 162 -4.211 4.685 -15.011 1.00 8.25 N1+ ATOM 2397 NH2 ARG A 162 -4.488 2.471 -15.546 1.00 8.90 N ATOM 0 H ARG A 162 -2.834 4.477 -21.351 1.00 7.38 H new ATOM 0 HA ARG A 162 -5.627 4.691 -21.934 1.00 7.17 H new ATOM 0 HB2 ARG A 162 -5.719 5.380 -19.509 1.00 7.15 H new ATOM 0 HB3 ARG A 162 -4.914 3.846 -19.780 1.00 7.15 H new ATOM 0 HG2 ARG A 162 -2.733 4.859 -19.529 1.00 7.34 H new ATOM 0 HG3 ARG A 162 -3.422 6.470 -19.510 1.00 7.34 H new ATOM 0 HD2 ARG A 162 -2.814 5.692 -17.241 1.00 7.40 H new ATOM 0 HD3 ARG A 162 -4.525 6.047 -17.381 1.00 7.40 H new ATOM 0 HE ARG A 162 -4.150 3.261 -17.899 1.00 7.84 H new ATOM 0 HH11 ARG A 162 -4.045 5.650 -15.296 1.00 8.25 H new ATOM 0 HH12 ARG A 162 -4.351 4.461 -14.026 1.00 8.25 H new ATOM 0 HH21 ARG A 162 -4.536 1.727 -16.242 1.00 8.90 H new ATOM 0 HH22 ARG A 162 -4.626 2.255 -14.559 1.00 8.90 H new ATOM 2411 N GLY A 163 -4.025 7.293 -22.408 1.00 6.89 N ATOM 2412 CA GLY A 163 -4.115 8.704 -22.712 1.00 7.01 C ATOM 2413 C GLY A 163 -2.978 9.495 -22.109 1.00 6.68 C ATOM 2414 O GLY A 163 -3.025 10.723 -22.079 1.00 7.15 O ATOM 0 H GLY A 163 -3.205 6.821 -22.790 1.00 6.89 H new ATOM 0 HA2 GLY A 163 -4.116 8.841 -23.793 1.00 7.01 H new ATOM 0 HA3 GLY A 163 -5.063 9.094 -22.340 1.00 7.01 H new ATOM 2418 N THR A 164 -1.953 8.775 -21.647 1.00 6.17 N ATOM 2419 CA THR A 164 -0.776 9.360 -20.998 1.00 6.16 C ATOM 2420 C THR A 164 -1.156 10.290 -19.844 1.00 6.65 C ATOM 2421 O THR A 164 -1.416 9.829 -18.732 1.00 7.09 O ATOM 2422 CB THR A 164 0.159 10.085 -22.000 1.00 6.38 C ATOM 2423 OG1 THR A 164 -0.575 11.006 -22.821 1.00 6.86 O ATOM 2424 CG2 THR A 164 0.882 9.082 -22.884 1.00 6.23 C ATOM 0 H THR A 164 -1.916 7.758 -21.714 1.00 6.17 H new ATOM 0 HA THR A 164 -0.219 8.520 -20.582 1.00 6.16 H new ATOM 0 HB THR A 164 0.892 10.643 -21.418 1.00 6.38 H new ATOM 0 HG1 THR A 164 -1.460 11.160 -22.429 1.00 6.86 H new ATOM 0 HG21 THR A 164 1.533 9.612 -23.579 1.00 6.23 H new ATOM 0 HG22 THR A 164 1.481 8.415 -22.263 1.00 6.23 H new ATOM 0 HG23 THR A 164 0.152 8.498 -23.444 1.00 6.23 H new ATOM 2432 N VAL A 165 -1.202 11.589 -20.110 1.00 6.89 N ATOM 2433 CA VAL A 165 -1.636 12.555 -19.113 1.00 7.69 C ATOM 2434 C VAL A 165 -3.158 12.478 -18.949 1.00 7.93 C ATOM 2435 O VAL A 165 -3.917 13.205 -19.587 1.00 8.39 O ATOM 2436 CB VAL A 165 -1.171 13.996 -19.470 1.00 8.39 C ATOM 2437 CG1 VAL A 165 -1.622 14.405 -20.869 1.00 9.20 C ATOM 2438 CG2 VAL A 165 -1.655 14.997 -18.428 1.00 8.56 C ATOM 0 H VAL A 165 -0.944 11.997 -21.009 1.00 6.89 H new ATOM 0 HA VAL A 165 -1.169 12.305 -18.160 1.00 7.69 H new ATOM 0 HB VAL A 165 -0.081 13.998 -19.466 1.00 8.39 H new ATOM 0 HG11 VAL A 165 -1.278 15.417 -21.081 1.00 9.20 H new ATOM 0 HG12 VAL A 165 -1.201 13.718 -21.603 1.00 9.20 H new ATOM 0 HG13 VAL A 165 -2.710 14.373 -20.924 1.00 9.20 H new ATOM 0 HG21 VAL A 165 -1.317 15.997 -18.700 1.00 8.56 H new ATOM 0 HG22 VAL A 165 -2.744 14.981 -18.386 1.00 8.56 H new ATOM 0 HG23 VAL A 165 -1.250 14.730 -17.452 1.00 8.56 H new ATOM 2448 N ALA A 166 -3.589 11.551 -18.109 1.00 7.88 N ATOM 2449 CA ALA A 166 -5.006 11.298 -17.901 1.00 8.33 C ATOM 2450 C ALA A 166 -5.699 12.493 -17.259 1.00 8.94 C ATOM 2451 O ALA A 166 -5.296 12.967 -16.195 1.00 9.11 O ATOM 2452 CB ALA A 166 -5.189 10.047 -17.057 1.00 8.31 C ATOM 0 H ALA A 166 -2.972 10.956 -17.556 1.00 7.88 H new ATOM 0 HA ALA A 166 -5.472 11.140 -18.874 1.00 8.33 H new ATOM 0 HB1 ALA A 166 -6.253 9.863 -16.905 1.00 8.31 H new ATOM 0 HB2 ALA A 166 -4.743 9.194 -17.569 1.00 8.31 H new ATOM 0 HB3 ALA A 166 -4.703 10.185 -16.091 1.00 8.31 H new