USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 528 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 77 THR OG1 : rot 180:sc= 0.716 USER MOD Set 1.2: A 84 SER OG : rot -98:sc= 0.731 USER MOD Single : A 25 GLN : amide:sc= -0.102 K(o=-0.1,f=-0.95) USER MOD Single : A 26 LYS NZ :NH3+ 152:sc= 1.08 (180deg=1.04) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -97:sc= 1.29 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 42 ASN : amide:sc= -0.545 K(o=-0.55,f=-1.7) USER MOD Single : A 49 LYS NZ :NH3+ -145:sc= -0.152 (180deg=-0.726) USER MOD Single : A 50 LYS NZ :NH3+ -160:sc= 1.12 (180deg=0.825) USER MOD Single : A 54 HIS : no HD1:sc= -0.431 X(o=-0.43,f=-0.12) USER MOD Single : A 55 MET CE :methyl -130:sc= -0.952 (180deg=-2.27!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.0487 K(o=-0.049,f=-0.88) USER MOD Single : A 61 ASN : amide:sc= -0.231 K(o=-0.23,f=-3.1!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= -0.0253 USER MOD Single : A 78 ASN : amide:sc= -2.23! C(o=-2.2!,f=-8.3!) USER MOD Single : A 79 GLN : amide:sc= 0.81 K(o=0.81,f=-7.9!) USER MOD Single : A 81 ASN : amide:sc= -1.18 K(o=-1.2,f=-0.038) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot -92:sc= 0.728 USER MOD Single : A 87 CYS SG : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ -152:sc= 1.22 (180deg=0.678) USER MOD ----------------------------------------------------------------- ATOM 348 N GLN A 25 -9.796 0.393 -34.194 1.00 0.44 N ATOM 349 CA GLN A 25 -10.461 -0.867 -34.489 1.00 0.43 C ATOM 350 C GLN A 25 -10.607 -1.728 -33.232 1.00 0.37 C ATOM 351 O GLN A 25 -9.878 -2.708 -33.045 1.00 0.49 O ATOM 352 CB GLN A 25 -9.695 -1.642 -35.568 1.00 0.48 C ATOM 353 CG GLN A 25 -10.586 -2.515 -36.434 1.00 0.64 C ATOM 354 CD GLN A 25 -11.454 -1.699 -37.373 1.00 0.76 C ATOM 355 OE1 GLN A 25 -11.051 -0.640 -37.851 1.00 1.28 O ATOM 356 NE2 GLN A 25 -12.658 -2.176 -37.631 1.00 1.34 N ATOM 0 HA GLN A 25 -11.459 -0.633 -34.860 1.00 0.43 H new ATOM 0 HB2 GLN A 25 -9.164 -0.934 -36.205 1.00 0.48 H new ATOM 0 HB3 GLN A 25 -8.942 -2.268 -35.089 1.00 0.48 H new ATOM 0 HG2 GLN A 25 -9.967 -3.198 -37.016 1.00 0.64 H new ATOM 0 HG3 GLN A 25 -11.222 -3.128 -35.795 1.00 0.64 H new ATOM 0 HE21 GLN A 25 -12.957 -3.058 -37.216 1.00 1.34 H new ATOM 0 HE22 GLN A 25 -13.289 -1.662 -38.246 1.00 1.34 H new ATOM 365 N LYS A 26 -11.529 -1.345 -32.357 1.00 0.26 N ATOM 366 CA LYS A 26 -11.851 -2.162 -31.196 1.00 0.21 C ATOM 367 C LYS A 26 -12.999 -3.111 -31.517 1.00 0.24 C ATOM 368 O LYS A 26 -14.007 -2.713 -32.101 1.00 0.43 O ATOM 369 CB LYS A 26 -12.237 -1.320 -29.981 1.00 0.30 C ATOM 370 CG LYS A 26 -11.084 -0.587 -29.317 1.00 0.69 C ATOM 371 CD LYS A 26 -11.529 -0.003 -27.982 1.00 1.08 C ATOM 372 CE LYS A 26 -10.366 0.535 -27.171 1.00 1.59 C ATOM 373 NZ LYS A 26 -10.807 0.991 -25.822 1.00 2.11 N ATOM 0 H LYS A 26 -12.063 -0.479 -32.429 1.00 0.26 H new ATOM 0 HA LYS A 26 -10.950 -2.724 -30.951 1.00 0.21 H new ATOM 0 HB2 LYS A 26 -12.985 -0.589 -30.287 1.00 0.30 H new ATOM 0 HB3 LYS A 26 -12.709 -1.969 -29.243 1.00 0.30 H new ATOM 0 HG2 LYS A 26 -10.250 -1.271 -29.163 1.00 0.69 H new ATOM 0 HG3 LYS A 26 -10.726 0.210 -29.969 1.00 0.69 H new ATOM 0 HD2 LYS A 26 -12.246 0.798 -28.160 1.00 1.08 H new ATOM 0 HD3 LYS A 26 -12.046 -0.771 -27.406 1.00 1.08 H new ATOM 0 HE2 LYS A 26 -9.606 -0.239 -27.064 1.00 1.59 H new ATOM 0 HE3 LYS A 26 -9.903 1.365 -27.704 1.00 1.59 H new ATOM 0 HZ1 LYS A 26 -10.018 0.902 -25.150 1.00 2.11 H new ATOM 0 HZ2 LYS A 26 -11.108 1.985 -25.873 1.00 2.11 H new ATOM 0 HZ3 LYS A 26 -11.603 0.405 -25.500 1.00 2.11 H new ATOM 387 N LYS A 27 -12.826 -4.363 -31.152 1.00 0.12 N ATOM 388 CA LYS A 27 -13.863 -5.363 -31.290 1.00 0.12 C ATOM 389 C LYS A 27 -14.303 -5.837 -29.914 1.00 0.13 C ATOM 390 O LYS A 27 -13.513 -5.830 -28.974 1.00 0.19 O ATOM 391 CB LYS A 27 -13.336 -6.541 -32.107 1.00 0.14 C ATOM 392 CG LYS A 27 -13.146 -6.234 -33.578 1.00 0.19 C ATOM 393 CD LYS A 27 -14.461 -5.894 -34.256 1.00 0.28 C ATOM 394 CE LYS A 27 -14.237 -5.492 -35.699 1.00 0.44 C ATOM 395 NZ LYS A 27 -15.496 -5.071 -36.368 1.00 1.27 N ATOM 0 H LYS A 27 -11.958 -4.718 -30.749 1.00 0.12 H new ATOM 0 HA LYS A 27 -14.719 -4.928 -31.806 1.00 0.12 H new ATOM 0 HB2 LYS A 27 -12.383 -6.864 -31.688 1.00 0.14 H new ATOM 0 HB3 LYS A 27 -14.028 -7.378 -32.007 1.00 0.14 H new ATOM 0 HG2 LYS A 27 -12.453 -5.400 -33.689 1.00 0.19 H new ATOM 0 HG3 LYS A 27 -12.693 -7.093 -34.073 1.00 0.19 H new ATOM 0 HD2 LYS A 27 -15.130 -6.754 -34.213 1.00 0.28 H new ATOM 0 HD3 LYS A 27 -14.952 -5.082 -33.720 1.00 0.28 H new ATOM 0 HE2 LYS A 27 -13.516 -4.675 -35.739 1.00 0.44 H new ATOM 0 HE3 LYS A 27 -13.801 -6.329 -36.244 1.00 0.44 H new ATOM 0 HZ1 LYS A 27 -15.294 -4.805 -37.353 1.00 1.27 H new ATOM 0 HZ2 LYS A 27 -16.176 -5.858 -36.354 1.00 1.27 H new ATOM 0 HZ3 LYS A 27 -15.900 -4.255 -35.865 1.00 1.27 H new ATOM 409 N ARG A 28 -15.561 -6.232 -29.785 1.00 0.10 N ATOM 410 CA ARG A 28 -16.060 -6.750 -28.518 1.00 0.12 C ATOM 411 C ARG A 28 -16.629 -8.143 -28.686 1.00 0.09 C ATOM 412 O ARG A 28 -17.472 -8.385 -29.550 1.00 0.15 O ATOM 413 CB ARG A 28 -17.099 -5.811 -27.900 1.00 0.19 C ATOM 414 CG ARG A 28 -16.460 -4.625 -27.203 1.00 0.29 C ATOM 415 CD ARG A 28 -17.427 -3.901 -26.281 1.00 0.29 C ATOM 416 NE ARG A 28 -18.402 -3.093 -27.010 1.00 0.74 N ATOM 417 CZ ARG A 28 -18.376 -1.756 -27.058 1.00 1.15 C ATOM 418 NH1 ARG A 28 -17.392 -1.082 -26.461 1.00 1.40 N ATOM 419 NH2 ARG A 28 -19.321 -1.094 -27.708 1.00 1.65 N ATOM 0 H ARG A 28 -16.251 -6.205 -30.536 1.00 0.10 H new ATOM 0 HA ARG A 28 -15.214 -6.808 -27.833 1.00 0.12 H new ATOM 0 HB2 ARG A 28 -17.771 -5.453 -28.680 1.00 0.19 H new ATOM 0 HB3 ARG A 28 -17.707 -6.365 -27.185 1.00 0.19 H new ATOM 0 HG2 ARG A 28 -15.600 -4.967 -26.627 1.00 0.29 H new ATOM 0 HG3 ARG A 28 -16.085 -3.927 -27.951 1.00 0.29 H new ATOM 0 HD2 ARG A 28 -17.953 -4.632 -25.667 1.00 0.29 H new ATOM 0 HD3 ARG A 28 -16.865 -3.260 -25.602 1.00 0.29 H new ATOM 0 HE ARG A 28 -19.147 -3.577 -27.512 1.00 0.74 H new ATOM 0 HH11 ARG A 28 -16.656 -1.586 -25.966 1.00 1.40 H new ATOM 0 HH12 ARG A 28 -17.375 -0.063 -26.500 1.00 1.40 H new ATOM 0 HH21 ARG A 28 -20.072 -1.603 -28.174 1.00 1.65 H new ATOM 0 HH22 ARG A 28 -19.298 -0.075 -27.742 1.00 1.65 H new ATOM 433 N ALA A 29 -16.154 -9.050 -27.848 1.00 0.08 N ATOM 434 CA ALA A 29 -16.559 -10.440 -27.898 1.00 0.07 C ATOM 435 C ALA A 29 -16.364 -11.082 -26.536 1.00 0.06 C ATOM 436 O ALA A 29 -15.916 -10.428 -25.593 1.00 0.08 O ATOM 437 CB ALA A 29 -15.777 -11.201 -28.963 1.00 0.08 C ATOM 0 H ALA A 29 -15.477 -8.840 -27.115 1.00 0.08 H new ATOM 0 HA ALA A 29 -17.615 -10.483 -28.165 1.00 0.07 H new ATOM 0 HB1 ALA A 29 -16.101 -12.242 -28.979 1.00 0.08 H new ATOM 0 HB2 ALA A 29 -15.958 -10.750 -29.939 1.00 0.08 H new ATOM 0 HB3 ALA A 29 -14.712 -11.156 -28.734 1.00 0.08 H new ATOM 443 N THR A 30 -16.702 -12.348 -26.432 1.00 0.06 N ATOM 444 CA THR A 30 -16.599 -13.065 -25.180 1.00 0.06 C ATOM 445 C THR A 30 -15.386 -13.990 -25.211 1.00 0.06 C ATOM 446 O THR A 30 -15.019 -14.507 -26.271 1.00 0.08 O ATOM 447 CB THR A 30 -17.871 -13.896 -24.943 1.00 0.08 C ATOM 448 OG1 THR A 30 -18.905 -13.451 -25.831 1.00 0.14 O ATOM 449 CG2 THR A 30 -18.354 -13.760 -23.510 1.00 0.11 C ATOM 0 H THR A 30 -17.054 -12.908 -27.209 1.00 0.06 H new ATOM 0 HA THR A 30 -16.485 -12.345 -24.370 1.00 0.06 H new ATOM 0 HB THR A 30 -17.635 -14.943 -25.133 1.00 0.08 H new ATOM 0 HG1 THR A 30 -19.715 -13.982 -25.681 1.00 0.14 H new ATOM 0 HG21 THR A 30 -19.255 -14.358 -23.371 1.00 0.11 H new ATOM 0 HG22 THR A 30 -17.578 -14.110 -22.830 1.00 0.11 H new ATOM 0 HG23 THR A 30 -18.577 -12.714 -23.299 1.00 0.11 H new ATOM 457 N VAL A 31 -14.749 -14.168 -24.063 1.00 0.08 N ATOM 458 CA VAL A 31 -13.594 -15.053 -23.953 1.00 0.10 C ATOM 459 C VAL A 31 -14.002 -16.507 -24.163 1.00 0.11 C ATOM 460 O VAL A 31 -14.858 -17.031 -23.452 1.00 0.14 O ATOM 461 CB VAL A 31 -12.904 -14.917 -22.577 1.00 0.11 C ATOM 462 CG1 VAL A 31 -11.640 -15.757 -22.521 1.00 0.14 C ATOM 463 CG2 VAL A 31 -12.591 -13.466 -22.271 1.00 0.13 C ATOM 0 H VAL A 31 -15.012 -13.710 -23.190 1.00 0.08 H new ATOM 0 HA VAL A 31 -12.891 -14.755 -24.731 1.00 0.10 H new ATOM 0 HB VAL A 31 -13.594 -15.285 -21.818 1.00 0.11 H new ATOM 0 HG11 VAL A 31 -11.172 -15.645 -21.543 1.00 0.14 H new ATOM 0 HG12 VAL A 31 -11.892 -16.805 -22.685 1.00 0.14 H new ATOM 0 HG13 VAL A 31 -10.948 -15.425 -23.295 1.00 0.14 H new ATOM 0 HG21 VAL A 31 -12.106 -13.396 -21.297 1.00 0.13 H new ATOM 0 HG22 VAL A 31 -11.926 -13.068 -23.037 1.00 0.13 H new ATOM 0 HG23 VAL A 31 -13.516 -12.889 -22.258 1.00 0.13 H new ATOM 473 N ASP A 32 -13.373 -17.147 -25.136 1.00 0.12 N ATOM 474 CA ASP A 32 -13.626 -18.548 -25.444 1.00 0.15 C ATOM 475 C ASP A 32 -12.972 -19.442 -24.397 1.00 0.15 C ATOM 476 O ASP A 32 -13.576 -20.400 -23.911 1.00 0.19 O ATOM 477 CB ASP A 32 -13.081 -18.877 -26.842 1.00 0.21 C ATOM 478 CG ASP A 32 -13.057 -20.367 -27.134 1.00 0.34 C ATOM 479 OD1 ASP A 32 -11.995 -20.997 -26.932 1.00 0.46 O ATOM 480 OD2 ASP A 32 -14.090 -20.910 -27.580 1.00 0.60 O ATOM 0 H ASP A 32 -12.672 -16.711 -25.735 1.00 0.12 H new ATOM 0 HA ASP A 32 -14.701 -18.729 -25.431 1.00 0.15 H new ATOM 0 HB2 ASP A 32 -13.693 -18.375 -27.592 1.00 0.21 H new ATOM 0 HB3 ASP A 32 -12.071 -18.478 -26.935 1.00 0.21 H new ATOM 485 N SER A 33 -11.749 -19.087 -24.026 1.00 0.14 N ATOM 486 CA SER A 33 -10.965 -19.868 -23.084 1.00 0.18 C ATOM 487 C SER A 33 -9.694 -19.115 -22.705 1.00 0.13 C ATOM 488 O SER A 33 -9.327 -18.137 -23.357 1.00 0.14 O ATOM 489 CB SER A 33 -10.611 -21.232 -23.689 1.00 0.27 C ATOM 490 OG SER A 33 -10.116 -21.091 -25.012 1.00 1.07 O ATOM 0 H SER A 33 -11.275 -18.252 -24.370 1.00 0.14 H new ATOM 0 HA SER A 33 -11.559 -20.028 -22.184 1.00 0.18 H new ATOM 0 HB2 SER A 33 -9.863 -21.726 -23.068 1.00 0.27 H new ATOM 0 HB3 SER A 33 -11.494 -21.871 -23.694 1.00 0.27 H new ATOM 0 HG SER A 33 -10.843 -21.242 -25.651 1.00 1.07 H new ATOM 496 N ILE A 34 -9.041 -19.557 -21.643 1.00 0.16 N ATOM 497 CA ILE A 34 -7.780 -18.973 -21.211 1.00 0.14 C ATOM 498 C ILE A 34 -6.790 -20.076 -20.857 1.00 0.16 C ATOM 499 O ILE A 34 -7.114 -21.010 -20.120 1.00 0.19 O ATOM 500 CB ILE A 34 -7.986 -17.998 -20.025 1.00 0.16 C ATOM 501 CG1 ILE A 34 -8.322 -16.601 -20.562 1.00 0.14 C ATOM 502 CG2 ILE A 34 -6.753 -17.945 -19.127 1.00 0.19 C ATOM 503 CD1 ILE A 34 -8.730 -15.609 -19.493 1.00 0.17 C ATOM 0 H ILE A 34 -9.367 -20.326 -21.058 1.00 0.16 H new ATOM 0 HA ILE A 34 -7.369 -18.390 -22.035 1.00 0.14 H new ATOM 0 HB ILE A 34 -8.816 -18.361 -19.419 1.00 0.16 H new ATOM 0 HG12 ILE A 34 -7.455 -16.210 -21.094 1.00 0.14 H new ATOM 0 HG13 ILE A 34 -9.129 -16.688 -21.289 1.00 0.14 H new ATOM 0 HG21 ILE A 34 -6.931 -17.252 -18.305 1.00 0.19 H new ATOM 0 HG22 ILE A 34 -6.552 -18.939 -18.727 1.00 0.19 H new ATOM 0 HG23 ILE A 34 -5.895 -17.607 -19.707 1.00 0.19 H new ATOM 0 HD11 ILE A 34 -8.951 -14.647 -19.955 1.00 0.17 H new ATOM 0 HD12 ILE A 34 -9.617 -15.975 -18.976 1.00 0.17 H new ATOM 0 HD13 ILE A 34 -7.916 -15.490 -18.778 1.00 0.17 H new ATOM 515 N LYS A 35 -5.595 -19.969 -21.411 1.00 0.17 N ATOM 516 CA LYS A 35 -4.566 -20.979 -21.247 1.00 0.21 C ATOM 517 C LYS A 35 -3.276 -20.352 -20.727 1.00 0.20 C ATOM 518 O LYS A 35 -2.483 -19.817 -21.504 1.00 0.22 O ATOM 519 CB LYS A 35 -4.291 -21.670 -22.585 1.00 0.24 C ATOM 520 CG LYS A 35 -5.504 -22.389 -23.151 1.00 0.34 C ATOM 521 CD LYS A 35 -5.984 -23.490 -22.218 1.00 0.47 C ATOM 522 CE LYS A 35 -7.396 -23.918 -22.563 1.00 0.64 C ATOM 523 NZ LYS A 35 -7.899 -24.980 -21.654 1.00 1.56 N ATOM 0 H LYS A 35 -5.311 -19.177 -21.988 1.00 0.17 H new ATOM 0 HA LYS A 35 -4.920 -21.713 -20.523 1.00 0.21 H new ATOM 0 HB2 LYS A 35 -3.948 -20.928 -23.306 1.00 0.24 H new ATOM 0 HB3 LYS A 35 -3.480 -22.387 -22.456 1.00 0.24 H new ATOM 0 HG2 LYS A 35 -6.309 -21.673 -23.315 1.00 0.34 H new ATOM 0 HG3 LYS A 35 -5.255 -22.816 -24.122 1.00 0.34 H new ATOM 0 HD2 LYS A 35 -5.314 -24.347 -22.286 1.00 0.47 H new ATOM 0 HD3 LYS A 35 -5.949 -23.139 -21.187 1.00 0.47 H new ATOM 0 HE2 LYS A 35 -8.059 -23.054 -22.511 1.00 0.64 H new ATOM 0 HE3 LYS A 35 -7.423 -24.279 -23.591 1.00 0.64 H new ATOM 0 HZ1 LYS A 35 -8.868 -25.241 -21.928 1.00 1.56 H new ATOM 0 HZ2 LYS A 35 -7.283 -25.815 -21.722 1.00 1.56 H new ATOM 0 HZ3 LYS A 35 -7.899 -24.628 -20.675 1.00 1.56 H new ATOM 537 N GLY A 36 -3.086 -20.390 -19.418 1.00 0.25 N ATOM 538 CA GLY A 36 -1.867 -19.866 -18.831 1.00 0.28 C ATOM 539 C GLY A 36 -1.778 -18.355 -18.917 1.00 0.24 C ATOM 540 O GLY A 36 -2.471 -17.642 -18.191 1.00 0.29 O ATOM 0 H GLY A 36 -3.753 -20.774 -18.749 1.00 0.25 H new ATOM 0 HA2 GLY A 36 -1.812 -20.170 -17.786 1.00 0.28 H new ATOM 0 HA3 GLY A 36 -1.007 -20.306 -19.336 1.00 0.28 H new ATOM 544 N GLN A 37 -0.923 -17.868 -19.807 1.00 0.21 N ATOM 545 CA GLN A 37 -0.735 -16.435 -19.984 1.00 0.20 C ATOM 546 C GLN A 37 -1.452 -15.957 -21.235 1.00 0.17 C ATOM 547 O GLN A 37 -1.270 -14.820 -21.667 1.00 0.21 O ATOM 548 CB GLN A 37 0.754 -16.096 -20.106 1.00 0.24 C ATOM 549 CG GLN A 37 1.637 -16.788 -19.082 1.00 0.36 C ATOM 550 CD GLN A 37 1.383 -16.319 -17.665 1.00 1.27 C ATOM 551 OE1 GLN A 37 1.031 -15.164 -17.433 1.00 2.10 O ATOM 552 NE2 GLN A 37 1.561 -17.215 -16.709 1.00 1.94 N ATOM 0 H GLN A 37 -0.347 -18.447 -20.419 1.00 0.21 H new ATOM 0 HA GLN A 37 -1.150 -15.934 -19.110 1.00 0.20 H new ATOM 0 HB2 GLN A 37 1.096 -16.366 -21.105 1.00 0.24 H new ATOM 0 HB3 GLN A 37 0.879 -15.018 -20.007 1.00 0.24 H new ATOM 0 HG2 GLN A 37 1.472 -17.864 -19.137 1.00 0.36 H new ATOM 0 HG3 GLN A 37 2.683 -16.612 -19.335 1.00 0.36 H new ATOM 0 HE21 GLN A 37 1.854 -18.163 -16.946 1.00 1.94 H new ATOM 0 HE22 GLN A 37 1.405 -16.958 -15.734 1.00 1.94 H new ATOM 561 N PHE A 38 -2.266 -16.821 -21.819 1.00 0.13 N ATOM 562 CA PHE A 38 -2.894 -16.509 -23.084 1.00 0.11 C ATOM 563 C PHE A 38 -4.382 -16.752 -23.025 1.00 0.10 C ATOM 564 O PHE A 38 -4.845 -17.711 -22.421 1.00 0.12 O ATOM 565 CB PHE A 38 -2.274 -17.319 -24.222 1.00 0.13 C ATOM 566 CG PHE A 38 -0.856 -16.931 -24.520 1.00 0.18 C ATOM 567 CD1 PHE A 38 -0.581 -15.896 -25.400 1.00 0.21 C ATOM 568 CD2 PHE A 38 0.202 -17.593 -23.916 1.00 0.23 C ATOM 569 CE1 PHE A 38 0.721 -15.526 -25.668 1.00 0.28 C ATOM 570 CE2 PHE A 38 1.508 -17.229 -24.183 1.00 0.29 C ATOM 571 CZ PHE A 38 1.766 -16.193 -25.061 1.00 0.32 C ATOM 0 H PHE A 38 -2.504 -17.737 -21.438 1.00 0.13 H new ATOM 0 HA PHE A 38 -2.723 -15.451 -23.281 1.00 0.11 H new ATOM 0 HB2 PHE A 38 -2.308 -18.378 -23.966 1.00 0.13 H new ATOM 0 HB3 PHE A 38 -2.876 -17.189 -25.121 1.00 0.13 H new ATOM 0 HD1 PHE A 38 -1.395 -15.374 -25.881 1.00 0.21 H new ATOM 0 HD2 PHE A 38 0.003 -18.402 -23.229 1.00 0.23 H new ATOM 0 HE1 PHE A 38 0.922 -14.715 -26.352 1.00 0.28 H new ATOM 0 HE2 PHE A 38 2.324 -17.752 -23.707 1.00 0.29 H new ATOM 0 HZ PHE A 38 2.785 -15.905 -25.272 1.00 0.32 H new ATOM 581 N GLY A 39 -5.122 -15.873 -23.655 1.00 0.09 N ATOM 582 CA GLY A 39 -6.555 -16.007 -23.701 1.00 0.09 C ATOM 583 C GLY A 39 -7.052 -16.025 -25.118 1.00 0.09 C ATOM 584 O GLY A 39 -6.360 -15.569 -26.028 1.00 0.11 O ATOM 0 H GLY A 39 -4.754 -15.057 -24.143 1.00 0.09 H new ATOM 0 HA2 GLY A 39 -6.854 -16.926 -23.196 1.00 0.09 H new ATOM 0 HA3 GLY A 39 -7.018 -15.181 -23.161 1.00 0.09 H new ATOM 588 N PHE A 40 -8.238 -16.556 -25.315 1.00 0.09 N ATOM 589 CA PHE A 40 -8.820 -16.629 -26.637 1.00 0.10 C ATOM 590 C PHE A 40 -10.239 -16.108 -26.603 1.00 0.10 C ATOM 591 O PHE A 40 -10.931 -16.245 -25.599 1.00 0.18 O ATOM 592 CB PHE A 40 -8.798 -18.068 -27.160 1.00 0.12 C ATOM 593 CG PHE A 40 -7.420 -18.657 -27.216 1.00 0.12 C ATOM 594 CD1 PHE A 40 -6.868 -19.265 -26.099 1.00 0.14 C ATOM 595 CD2 PHE A 40 -6.674 -18.596 -28.381 1.00 0.13 C ATOM 596 CE1 PHE A 40 -5.599 -19.801 -26.141 1.00 0.16 C ATOM 597 CE2 PHE A 40 -5.403 -19.134 -28.430 1.00 0.16 C ATOM 598 CZ PHE A 40 -4.865 -19.736 -27.311 1.00 0.17 C ATOM 0 H PHE A 40 -8.820 -16.945 -24.574 1.00 0.09 H new ATOM 0 HA PHE A 40 -8.228 -16.011 -27.312 1.00 0.10 H new ATOM 0 HB2 PHE A 40 -9.426 -18.689 -26.521 1.00 0.12 H new ATOM 0 HB3 PHE A 40 -9.237 -18.092 -28.158 1.00 0.12 H new ATOM 0 HD1 PHE A 40 -7.440 -19.319 -25.184 1.00 0.14 H new ATOM 0 HD2 PHE A 40 -7.090 -18.124 -29.259 1.00 0.13 H new ATOM 0 HE1 PHE A 40 -5.179 -20.270 -25.263 1.00 0.16 H new ATOM 0 HE2 PHE A 40 -4.830 -19.084 -29.344 1.00 0.16 H new ATOM 0 HZ PHE A 40 -3.871 -20.156 -27.349 1.00 0.17 H new ATOM 608 N LEU A 41 -10.660 -15.500 -27.693 1.00 0.10 N ATOM 609 CA LEU A 41 -11.994 -14.944 -27.792 1.00 0.09 C ATOM 610 C LEU A 41 -12.690 -15.523 -29.001 1.00 0.09 C ATOM 611 O LEU A 41 -12.039 -15.811 -30.009 1.00 0.13 O ATOM 612 CB LEU A 41 -11.918 -13.424 -27.915 1.00 0.09 C ATOM 613 CG LEU A 41 -10.866 -12.769 -27.028 1.00 0.15 C ATOM 614 CD1 LEU A 41 -10.517 -11.391 -27.536 1.00 0.59 C ATOM 615 CD2 LEU A 41 -11.361 -12.694 -25.601 1.00 0.53 C ATOM 0 H LEU A 41 -10.091 -15.378 -28.531 1.00 0.10 H new ATOM 0 HA LEU A 41 -12.558 -15.196 -26.894 1.00 0.09 H new ATOM 0 HB2 LEU A 41 -11.711 -13.166 -28.954 1.00 0.09 H new ATOM 0 HB3 LEU A 41 -12.893 -13.003 -27.671 1.00 0.09 H new ATOM 0 HG LEU A 41 -9.964 -13.380 -27.057 1.00 0.15 H new ATOM 0 HD11 LEU A 41 -9.764 -10.944 -26.887 1.00 0.59 H new ATOM 0 HD12 LEU A 41 -10.124 -11.466 -28.550 1.00 0.59 H new ATOM 0 HD13 LEU A 41 -11.411 -10.767 -27.539 1.00 0.59 H new ATOM 0 HD21 LEU A 41 -10.601 -12.224 -24.977 1.00 0.53 H new ATOM 0 HD22 LEU A 41 -12.277 -12.104 -25.564 1.00 0.53 H new ATOM 0 HD23 LEU A 41 -11.563 -13.700 -25.232 1.00 0.53 H new ATOM 627 N ASN A 42 -14.001 -15.698 -28.913 1.00 0.11 N ATOM 628 CA ASN A 42 -14.761 -16.243 -30.027 1.00 0.15 C ATOM 629 C ASN A 42 -14.888 -15.215 -31.138 1.00 0.14 C ATOM 630 O ASN A 42 -15.930 -14.585 -31.317 1.00 0.17 O ATOM 631 CB ASN A 42 -16.142 -16.731 -29.580 1.00 0.22 C ATOM 632 CG ASN A 42 -16.048 -17.847 -28.557 1.00 0.79 C ATOM 633 OD1 ASN A 42 -16.092 -17.603 -27.351 1.00 1.53 O ATOM 634 ND2 ASN A 42 -15.901 -19.076 -29.027 1.00 1.37 N ATOM 0 H ASN A 42 -14.556 -15.472 -28.088 1.00 0.11 H new ATOM 0 HA ASN A 42 -14.216 -17.105 -30.411 1.00 0.15 H new ATOM 0 HB2 ASN A 42 -16.701 -15.897 -29.156 1.00 0.22 H new ATOM 0 HB3 ASN A 42 -16.701 -17.081 -30.448 1.00 0.22 H new ATOM 0 HD21 ASN A 42 -15.820 -19.862 -28.382 1.00 1.37 H new ATOM 0 HD22 ASN A 42 -15.869 -19.237 -30.034 1.00 1.37 H new ATOM 641 N PHE A 43 -13.786 -15.024 -31.848 1.00 0.12 N ATOM 642 CA PHE A 43 -13.731 -14.123 -32.980 1.00 0.13 C ATOM 643 C PHE A 43 -12.934 -14.788 -34.088 1.00 0.16 C ATOM 644 O PHE A 43 -11.703 -14.792 -34.079 1.00 0.18 O ATOM 645 CB PHE A 43 -13.111 -12.774 -32.579 1.00 0.12 C ATOM 646 CG PHE A 43 -13.283 -11.702 -33.623 1.00 0.16 C ATOM 647 CD1 PHE A 43 -14.408 -10.895 -33.621 1.00 0.21 C ATOM 648 CD2 PHE A 43 -12.325 -11.508 -34.607 1.00 0.22 C ATOM 649 CE1 PHE A 43 -14.575 -9.914 -34.581 1.00 0.27 C ATOM 650 CE2 PHE A 43 -12.485 -10.530 -35.567 1.00 0.27 C ATOM 651 CZ PHE A 43 -13.611 -9.732 -35.555 1.00 0.28 C ATOM 0 H PHE A 43 -12.903 -15.494 -31.651 1.00 0.12 H new ATOM 0 HA PHE A 43 -14.741 -13.915 -33.335 1.00 0.13 H new ATOM 0 HB2 PHE A 43 -13.563 -12.438 -31.646 1.00 0.12 H new ATOM 0 HB3 PHE A 43 -12.048 -12.915 -32.385 1.00 0.12 H new ATOM 0 HD1 PHE A 43 -15.163 -11.033 -32.861 1.00 0.21 H new ATOM 0 HD2 PHE A 43 -11.443 -12.130 -34.622 1.00 0.22 H new ATOM 0 HE1 PHE A 43 -15.457 -9.291 -34.570 1.00 0.27 H new ATOM 0 HE2 PHE A 43 -11.730 -10.389 -36.327 1.00 0.27 H new ATOM 0 HZ PHE A 43 -13.739 -8.966 -36.306 1.00 0.28 H new ATOM 661 N GLU A 44 -13.660 -15.383 -35.016 1.00 0.23 N ATOM 662 CA GLU A 44 -13.068 -16.127 -36.112 1.00 0.30 C ATOM 663 C GLU A 44 -12.460 -15.188 -37.141 1.00 0.29 C ATOM 664 O GLU A 44 -13.169 -14.572 -37.938 1.00 0.39 O ATOM 665 CB GLU A 44 -14.122 -17.024 -36.767 1.00 0.44 C ATOM 666 CG GLU A 44 -14.609 -18.171 -35.881 1.00 0.60 C ATOM 667 CD GLU A 44 -15.326 -17.723 -34.618 1.00 1.14 C ATOM 668 OE1 GLU A 44 -15.045 -18.293 -33.542 1.00 1.81 O ATOM 669 OE2 GLU A 44 -16.154 -16.795 -34.696 1.00 1.57 O ATOM 0 H GLU A 44 -14.680 -15.364 -35.031 1.00 0.23 H new ATOM 0 HA GLU A 44 -12.270 -16.752 -35.711 1.00 0.30 H new ATOM 0 HB2 GLU A 44 -14.978 -16.412 -37.052 1.00 0.44 H new ATOM 0 HB3 GLU A 44 -13.708 -17.440 -37.686 1.00 0.44 H new ATOM 0 HG2 GLU A 44 -15.281 -18.803 -36.462 1.00 0.60 H new ATOM 0 HG3 GLU A 44 -13.754 -18.787 -35.601 1.00 0.60 H new ATOM 676 N VAL A 45 -11.142 -15.066 -37.093 1.00 0.30 N ATOM 677 CA VAL A 45 -10.413 -14.211 -38.020 1.00 0.38 C ATOM 678 C VAL A 45 -10.216 -14.903 -39.368 1.00 0.45 C ATOM 679 O VAL A 45 -10.196 -14.257 -40.414 1.00 0.58 O ATOM 680 CB VAL A 45 -9.047 -13.793 -37.427 1.00 0.44 C ATOM 681 CG1 VAL A 45 -9.260 -12.929 -36.190 1.00 0.85 C ATOM 682 CG2 VAL A 45 -8.197 -15.009 -37.074 1.00 0.71 C ATOM 0 H VAL A 45 -10.552 -15.551 -36.418 1.00 0.30 H new ATOM 0 HA VAL A 45 -11.010 -13.313 -38.181 1.00 0.38 H new ATOM 0 HB VAL A 45 -8.513 -13.219 -38.184 1.00 0.44 H new ATOM 0 HG11 VAL A 45 -8.293 -12.639 -35.778 1.00 0.85 H new ATOM 0 HG12 VAL A 45 -9.821 -12.035 -36.463 1.00 0.85 H new ATOM 0 HG13 VAL A 45 -9.818 -13.494 -35.443 1.00 0.85 H new ATOM 0 HG21 VAL A 45 -7.244 -14.679 -36.660 1.00 0.71 H new ATOM 0 HG22 VAL A 45 -8.721 -15.618 -36.338 1.00 0.71 H new ATOM 0 HG23 VAL A 45 -8.017 -15.600 -37.972 1.00 0.71 H new ATOM 692 N GLU A 46 -10.078 -16.220 -39.333 1.00 0.51 N ATOM 693 CA GLU A 46 -9.877 -16.999 -40.533 1.00 0.61 C ATOM 694 C GLU A 46 -10.286 -18.449 -40.298 1.00 0.62 C ATOM 695 O GLU A 46 -9.720 -19.117 -39.435 1.00 0.97 O ATOM 696 CB GLU A 46 -8.402 -16.923 -40.944 1.00 0.75 C ATOM 697 CG GLU A 46 -7.882 -18.170 -41.642 1.00 0.88 C ATOM 698 CD GLU A 46 -8.403 -18.353 -43.059 1.00 1.35 C ATOM 699 OE1 GLU A 46 -7.687 -18.941 -43.900 1.00 2.24 O ATOM 700 OE2 GLU A 46 -9.527 -17.894 -43.340 1.00 1.57 O ATOM 0 H GLU A 46 -10.103 -16.771 -38.475 1.00 0.51 H new ATOM 0 HA GLU A 46 -10.497 -16.595 -41.333 1.00 0.61 H new ATOM 0 HB2 GLU A 46 -8.265 -16.067 -41.605 1.00 0.75 H new ATOM 0 HB3 GLU A 46 -7.798 -16.740 -40.055 1.00 0.75 H new ATOM 0 HG2 GLU A 46 -6.793 -18.130 -41.669 1.00 0.88 H new ATOM 0 HG3 GLU A 46 -8.154 -19.044 -41.051 1.00 0.88 H new ATOM 707 N ASP A 47 -11.299 -18.907 -41.026 1.00 0.85 N ATOM 708 CA ASP A 47 -11.660 -20.334 -41.068 1.00 0.84 C ATOM 709 C ASP A 47 -12.005 -20.893 -39.683 1.00 0.83 C ATOM 710 O ASP A 47 -11.950 -22.099 -39.450 1.00 1.18 O ATOM 711 CB ASP A 47 -10.506 -21.134 -41.686 1.00 0.90 C ATOM 712 CG ASP A 47 -10.895 -22.548 -42.061 1.00 1.18 C ATOM 713 OD1 ASP A 47 -11.830 -22.713 -42.869 1.00 1.30 O ATOM 714 OD2 ASP A 47 -10.252 -23.496 -41.565 1.00 1.55 O ATOM 0 H ASP A 47 -11.894 -18.311 -41.602 1.00 0.85 H new ATOM 0 HA ASP A 47 -12.556 -20.430 -41.682 1.00 0.84 H new ATOM 0 HB2 ASP A 47 -10.147 -20.615 -42.575 1.00 0.90 H new ATOM 0 HB3 ASP A 47 -9.676 -21.167 -40.980 1.00 0.90 H new ATOM 719 N GLY A 48 -12.384 -20.015 -38.775 1.00 0.65 N ATOM 720 CA GLY A 48 -12.731 -20.448 -37.434 1.00 0.67 C ATOM 721 C GLY A 48 -11.631 -20.181 -36.422 1.00 0.58 C ATOM 722 O GLY A 48 -11.762 -20.535 -35.249 1.00 0.66 O ATOM 0 H GLY A 48 -12.459 -19.011 -38.937 1.00 0.65 H new ATOM 0 HA2 GLY A 48 -13.641 -19.938 -37.117 1.00 0.67 H new ATOM 0 HA3 GLY A 48 -12.953 -21.515 -37.449 1.00 0.67 H new ATOM 726 N LYS A 49 -10.549 -19.552 -36.876 1.00 0.48 N ATOM 727 CA LYS A 49 -9.425 -19.214 -36.008 1.00 0.44 C ATOM 728 C LYS A 49 -9.866 -18.286 -34.893 1.00 0.36 C ATOM 729 O LYS A 49 -10.264 -17.152 -35.151 1.00 0.35 O ATOM 730 CB LYS A 49 -8.302 -18.531 -36.804 1.00 0.50 C ATOM 731 CG LYS A 49 -7.343 -19.485 -37.499 1.00 0.71 C ATOM 732 CD LYS A 49 -6.375 -20.152 -36.522 1.00 0.93 C ATOM 733 CE LYS A 49 -5.492 -19.134 -35.799 1.00 1.41 C ATOM 734 NZ LYS A 49 -6.009 -18.799 -34.439 1.00 2.50 N ATOM 0 H LYS A 49 -10.428 -19.265 -37.847 1.00 0.48 H new ATOM 0 HA LYS A 49 -9.052 -20.146 -35.582 1.00 0.44 H new ATOM 0 HB2 LYS A 49 -8.751 -17.879 -37.554 1.00 0.50 H new ATOM 0 HB3 LYS A 49 -7.732 -17.894 -36.128 1.00 0.50 H new ATOM 0 HG2 LYS A 49 -7.914 -20.253 -38.022 1.00 0.71 H new ATOM 0 HG3 LYS A 49 -6.776 -18.940 -38.253 1.00 0.71 H new ATOM 0 HD2 LYS A 49 -6.940 -20.726 -35.788 1.00 0.93 H new ATOM 0 HD3 LYS A 49 -5.745 -20.858 -37.063 1.00 0.93 H new ATOM 0 HE2 LYS A 49 -4.480 -19.530 -35.713 1.00 1.41 H new ATOM 0 HE3 LYS A 49 -5.428 -18.224 -36.395 1.00 1.41 H new ATOM 0 HZ1 LYS A 49 -5.818 -17.798 -34.232 1.00 2.50 H new ATOM 0 HZ2 LYS A 49 -7.034 -18.970 -34.406 1.00 2.50 H new ATOM 0 HZ3 LYS A 49 -5.535 -19.396 -33.731 1.00 2.50 H new ATOM 748 N LYS A 50 -9.791 -18.765 -33.663 1.00 0.37 N ATOM 749 CA LYS A 50 -10.105 -17.942 -32.512 1.00 0.32 C ATOM 750 C LYS A 50 -9.022 -16.895 -32.323 1.00 0.27 C ATOM 751 O LYS A 50 -7.858 -17.119 -32.673 1.00 0.36 O ATOM 752 CB LYS A 50 -10.231 -18.803 -31.251 1.00 0.41 C ATOM 753 CG LYS A 50 -11.618 -18.764 -30.627 1.00 0.47 C ATOM 754 CD LYS A 50 -12.683 -19.239 -31.600 1.00 0.47 C ATOM 755 CE LYS A 50 -12.609 -20.735 -31.829 1.00 0.69 C ATOM 756 NZ LYS A 50 -13.409 -21.143 -33.011 1.00 1.32 N ATOM 0 H LYS A 50 -9.515 -19.721 -33.438 1.00 0.37 H new ATOM 0 HA LYS A 50 -11.060 -17.446 -32.685 1.00 0.32 H new ATOM 0 HB2 LYS A 50 -9.981 -19.835 -31.498 1.00 0.41 H new ATOM 0 HB3 LYS A 50 -9.501 -18.466 -30.516 1.00 0.41 H new ATOM 0 HG2 LYS A 50 -11.634 -19.390 -29.735 1.00 0.47 H new ATOM 0 HG3 LYS A 50 -11.845 -17.747 -30.306 1.00 0.47 H new ATOM 0 HD2 LYS A 50 -13.669 -18.979 -31.215 1.00 0.47 H new ATOM 0 HD3 LYS A 50 -12.564 -18.719 -32.551 1.00 0.47 H new ATOM 0 HE2 LYS A 50 -11.570 -21.032 -31.971 1.00 0.69 H new ATOM 0 HE3 LYS A 50 -12.972 -21.258 -30.944 1.00 0.69 H new ATOM 0 HZ1 LYS A 50 -13.621 -22.159 -32.953 1.00 1.32 H new ATOM 0 HZ2 LYS A 50 -14.298 -20.604 -33.031 1.00 1.32 H new ATOM 0 HZ3 LYS A 50 -12.869 -20.952 -33.879 1.00 1.32 H new ATOM 770 N LEU A 51 -9.413 -15.750 -31.800 1.00 0.19 N ATOM 771 CA LEU A 51 -8.469 -14.691 -31.517 1.00 0.13 C ATOM 772 C LEU A 51 -7.728 -14.979 -30.227 1.00 0.12 C ATOM 773 O LEU A 51 -8.342 -15.332 -29.227 1.00 0.16 O ATOM 774 CB LEU A 51 -9.185 -13.348 -31.404 1.00 0.13 C ATOM 775 CG LEU A 51 -8.944 -12.382 -32.562 1.00 0.13 C ATOM 776 CD1 LEU A 51 -9.692 -11.085 -32.334 1.00 0.19 C ATOM 777 CD2 LEU A 51 -7.463 -12.104 -32.722 1.00 0.16 C ATOM 0 H LEU A 51 -10.380 -15.530 -31.562 1.00 0.19 H new ATOM 0 HA LEU A 51 -7.756 -14.644 -32.340 1.00 0.13 H new ATOM 0 HB2 LEU A 51 -10.256 -13.532 -31.322 1.00 0.13 H new ATOM 0 HB3 LEU A 51 -8.873 -12.865 -30.478 1.00 0.13 H new ATOM 0 HG LEU A 51 -9.315 -12.846 -33.476 1.00 0.13 H new ATOM 0 HD11 LEU A 51 -9.509 -10.408 -33.169 1.00 0.19 H new ATOM 0 HD12 LEU A 51 -10.760 -11.289 -32.260 1.00 0.19 H new ATOM 0 HD13 LEU A 51 -9.346 -10.623 -31.410 1.00 0.19 H new ATOM 0 HD21 LEU A 51 -7.310 -11.414 -33.552 1.00 0.16 H new ATOM 0 HD22 LEU A 51 -7.075 -11.661 -31.805 1.00 0.16 H new ATOM 0 HD23 LEU A 51 -6.937 -13.037 -32.925 1.00 0.16 H new ATOM 789 N PHE A 52 -6.416 -14.837 -30.251 1.00 0.12 N ATOM 790 CA PHE A 52 -5.624 -15.035 -29.055 1.00 0.11 C ATOM 791 C PHE A 52 -5.130 -13.695 -28.545 1.00 0.10 C ATOM 792 O PHE A 52 -5.006 -12.734 -29.311 1.00 0.12 O ATOM 793 CB PHE A 52 -4.441 -15.979 -29.319 1.00 0.14 C ATOM 794 CG PHE A 52 -3.242 -15.336 -29.967 1.00 0.20 C ATOM 795 CD1 PHE A 52 -3.114 -15.295 -31.346 1.00 0.29 C ATOM 796 CD2 PHE A 52 -2.233 -14.790 -29.184 1.00 0.28 C ATOM 797 CE1 PHE A 52 -2.001 -14.722 -31.934 1.00 0.38 C ATOM 798 CE2 PHE A 52 -1.121 -14.211 -29.767 1.00 0.37 C ATOM 799 CZ PHE A 52 -1.004 -14.179 -31.144 1.00 0.39 C ATOM 0 H PHE A 52 -5.880 -14.587 -31.082 1.00 0.12 H new ATOM 0 HA PHE A 52 -6.253 -15.500 -28.296 1.00 0.11 H new ATOM 0 HB2 PHE A 52 -4.130 -16.420 -28.372 1.00 0.14 H new ATOM 0 HB3 PHE A 52 -4.783 -16.796 -29.954 1.00 0.14 H new ATOM 0 HD1 PHE A 52 -3.891 -15.715 -31.968 1.00 0.29 H new ATOM 0 HD2 PHE A 52 -2.318 -14.818 -28.108 1.00 0.28 H new ATOM 0 HE1 PHE A 52 -1.910 -14.699 -33.010 1.00 0.38 H new ATOM 0 HE2 PHE A 52 -0.346 -13.785 -29.148 1.00 0.37 H new ATOM 0 HZ PHE A 52 -0.135 -13.730 -31.602 1.00 0.39 H new ATOM 809 N PHE A 53 -4.871 -13.631 -27.256 1.00 0.10 N ATOM 810 CA PHE A 53 -4.307 -12.449 -26.651 1.00 0.10 C ATOM 811 C PHE A 53 -3.394 -12.856 -25.508 1.00 0.11 C ATOM 812 O PHE A 53 -3.537 -13.947 -24.955 1.00 0.13 O ATOM 813 CB PHE A 53 -5.421 -11.505 -26.169 1.00 0.10 C ATOM 814 CG PHE A 53 -6.238 -12.004 -25.003 1.00 0.10 C ATOM 815 CD1 PHE A 53 -5.736 -11.951 -23.713 1.00 0.13 C ATOM 816 CD2 PHE A 53 -7.515 -12.501 -25.197 1.00 0.11 C ATOM 817 CE1 PHE A 53 -6.489 -12.386 -22.643 1.00 0.16 C ATOM 818 CE2 PHE A 53 -8.272 -12.940 -24.130 1.00 0.13 C ATOM 819 CZ PHE A 53 -7.760 -12.883 -22.852 1.00 0.14 C ATOM 0 H PHE A 53 -5.046 -14.395 -26.603 1.00 0.10 H new ATOM 0 HA PHE A 53 -3.719 -11.907 -27.391 1.00 0.10 H new ATOM 0 HB2 PHE A 53 -4.971 -10.552 -25.893 1.00 0.10 H new ATOM 0 HB3 PHE A 53 -6.094 -11.310 -27.004 1.00 0.10 H new ATOM 0 HD1 PHE A 53 -4.742 -11.564 -23.543 1.00 0.13 H new ATOM 0 HD2 PHE A 53 -7.924 -12.546 -26.196 1.00 0.11 H new ATOM 0 HE1 PHE A 53 -6.085 -12.338 -21.643 1.00 0.16 H new ATOM 0 HE2 PHE A 53 -9.266 -13.328 -24.297 1.00 0.13 H new ATOM 0 HZ PHE A 53 -8.351 -13.226 -22.016 1.00 0.14 H new ATOM 829 N HIS A 54 -2.452 -11.997 -25.170 1.00 0.13 N ATOM 830 CA HIS A 54 -1.551 -12.264 -24.065 1.00 0.15 C ATOM 831 C HIS A 54 -2.070 -11.549 -22.820 1.00 0.15 C ATOM 832 O HIS A 54 -2.715 -10.503 -22.922 1.00 0.16 O ATOM 833 CB HIS A 54 -0.128 -11.805 -24.422 1.00 0.18 C ATOM 834 CG HIS A 54 0.919 -12.248 -23.446 1.00 0.21 C ATOM 835 ND1 HIS A 54 1.954 -11.452 -23.001 1.00 0.34 N ATOM 836 CD2 HIS A 54 1.083 -13.446 -22.837 1.00 0.25 C ATOM 837 CE1 HIS A 54 2.698 -12.180 -22.160 1.00 0.34 C ATOM 838 NE2 HIS A 54 2.209 -13.396 -22.022 1.00 0.27 N ATOM 0 H HIS A 54 -2.290 -11.109 -25.644 1.00 0.13 H new ATOM 0 HA HIS A 54 -1.511 -13.335 -23.864 1.00 0.15 H new ATOM 0 HB2 HIS A 54 0.128 -12.185 -25.411 1.00 0.18 H new ATOM 0 HB3 HIS A 54 -0.114 -10.717 -24.485 1.00 0.18 H new ATOM 0 HD2 HIS A 54 0.441 -14.305 -22.964 1.00 0.25 H new ATOM 0 HE1 HIS A 54 3.584 -11.818 -21.659 1.00 0.34 H new ATOM 0 HE2 HIS A 54 2.580 -14.146 -21.438 1.00 0.27 H new ATOM 846 N MET A 55 -1.802 -12.119 -21.654 1.00 0.16 N ATOM 847 CA MET A 55 -2.269 -11.559 -20.382 1.00 0.17 C ATOM 848 C MET A 55 -1.698 -10.167 -20.129 1.00 0.17 C ATOM 849 O MET A 55 -2.099 -9.488 -19.189 1.00 0.27 O ATOM 850 CB MET A 55 -1.882 -12.485 -19.232 1.00 0.24 C ATOM 851 CG MET A 55 -3.072 -13.072 -18.496 1.00 0.76 C ATOM 852 SD MET A 55 -4.143 -14.032 -19.578 1.00 1.86 S ATOM 853 CE MET A 55 -5.414 -14.526 -18.418 1.00 2.43 C ATOM 0 H MET A 55 -1.259 -12.977 -21.557 1.00 0.16 H new ATOM 0 HA MET A 55 -3.354 -11.472 -20.441 1.00 0.17 H new ATOM 0 HB2 MET A 55 -1.270 -13.298 -19.622 1.00 0.24 H new ATOM 0 HB3 MET A 55 -1.264 -11.932 -18.524 1.00 0.24 H new ATOM 0 HG2 MET A 55 -2.717 -13.707 -17.685 1.00 0.76 H new ATOM 0 HG3 MET A 55 -3.648 -12.266 -18.041 1.00 0.76 H new ATOM 0 HE1 MET A 55 -5.577 -15.601 -18.493 1.00 2.43 H new ATOM 0 HE2 MET A 55 -5.099 -14.276 -17.405 1.00 2.43 H new ATOM 0 HE3 MET A 55 -6.341 -14.002 -18.649 1.00 2.43 H new ATOM 863 N SER A 56 -0.764 -9.748 -20.970 1.00 0.16 N ATOM 864 CA SER A 56 -0.158 -8.434 -20.853 1.00 0.19 C ATOM 865 C SER A 56 -1.087 -7.367 -21.438 1.00 0.17 C ATOM 866 O SER A 56 -0.952 -6.179 -21.143 1.00 0.24 O ATOM 867 CB SER A 56 1.201 -8.426 -21.566 1.00 0.26 C ATOM 868 OG SER A 56 1.966 -7.280 -21.224 1.00 0.91 O ATOM 0 H SER A 56 -0.408 -10.306 -21.746 1.00 0.16 H new ATOM 0 HA SER A 56 -0.000 -8.203 -19.799 1.00 0.19 H new ATOM 0 HB2 SER A 56 1.756 -9.326 -21.302 1.00 0.26 H new ATOM 0 HB3 SER A 56 1.046 -8.452 -22.645 1.00 0.26 H new ATOM 0 HG SER A 56 2.825 -7.308 -21.694 1.00 0.91 H new ATOM 874 N GLU A 57 -2.028 -7.794 -22.277 1.00 0.14 N ATOM 875 CA GLU A 57 -3.020 -6.890 -22.840 1.00 0.17 C ATOM 876 C GLU A 57 -4.269 -6.868 -21.964 1.00 0.16 C ATOM 877 O GLU A 57 -5.153 -6.034 -22.144 1.00 0.20 O ATOM 878 CB GLU A 57 -3.391 -7.308 -24.271 1.00 0.22 C ATOM 879 CG GLU A 57 -2.271 -7.142 -25.296 1.00 0.32 C ATOM 880 CD GLU A 57 -1.193 -8.203 -25.189 1.00 1.10 C ATOM 881 OE1 GLU A 57 -1.366 -9.288 -25.782 1.00 1.96 O ATOM 882 OE2 GLU A 57 -0.166 -7.950 -24.527 1.00 1.20 O ATOM 0 H GLU A 57 -2.122 -8.763 -22.581 1.00 0.14 H new ATOM 0 HA GLU A 57 -2.589 -5.889 -22.874 1.00 0.17 H new ATOM 0 HB2 GLU A 57 -3.703 -8.352 -24.260 1.00 0.22 H new ATOM 0 HB3 GLU A 57 -4.251 -6.722 -24.595 1.00 0.22 H new ATOM 0 HG2 GLU A 57 -2.699 -7.170 -26.298 1.00 0.32 H new ATOM 0 HG3 GLU A 57 -1.817 -6.159 -25.170 1.00 0.32 H new ATOM 889 N VAL A 58 -4.322 -7.800 -21.025 1.00 0.17 N ATOM 890 CA VAL A 58 -5.439 -7.934 -20.099 1.00 0.17 C ATOM 891 C VAL A 58 -5.567 -6.713 -19.175 1.00 0.20 C ATOM 892 O VAL A 58 -4.575 -6.057 -18.843 1.00 0.27 O ATOM 893 CB VAL A 58 -5.272 -9.244 -19.293 1.00 0.16 C ATOM 894 CG1 VAL A 58 -5.845 -9.145 -17.889 1.00 0.27 C ATOM 895 CG2 VAL A 58 -5.911 -10.402 -20.032 1.00 0.22 C ATOM 0 H VAL A 58 -3.585 -8.491 -20.882 1.00 0.17 H new ATOM 0 HA VAL A 58 -6.367 -7.981 -20.670 1.00 0.17 H new ATOM 0 HB VAL A 58 -4.201 -9.418 -19.193 1.00 0.16 H new ATOM 0 HG11 VAL A 58 -5.700 -10.092 -17.369 1.00 0.27 H new ATOM 0 HG12 VAL A 58 -5.336 -8.350 -17.344 1.00 0.27 H new ATOM 0 HG13 VAL A 58 -6.910 -8.921 -17.946 1.00 0.27 H new ATOM 0 HG21 VAL A 58 -5.786 -11.317 -19.453 1.00 0.22 H new ATOM 0 HG22 VAL A 58 -6.974 -10.203 -20.171 1.00 0.22 H new ATOM 0 HG23 VAL A 58 -5.434 -10.520 -21.005 1.00 0.22 H new ATOM 905 N GLN A 59 -6.808 -6.423 -18.786 1.00 0.20 N ATOM 906 CA GLN A 59 -7.148 -5.243 -17.995 1.00 0.25 C ATOM 907 C GLN A 59 -6.495 -5.257 -16.611 1.00 0.34 C ATOM 908 O GLN A 59 -7.049 -5.811 -15.656 1.00 0.57 O ATOM 909 CB GLN A 59 -8.670 -5.151 -17.839 1.00 0.31 C ATOM 910 CG GLN A 59 -9.213 -3.729 -17.909 1.00 0.41 C ATOM 911 CD GLN A 59 -8.815 -2.864 -16.723 1.00 0.77 C ATOM 912 OE1 GLN A 59 -8.671 -3.342 -15.595 1.00 1.60 O ATOM 913 NE2 GLN A 59 -8.627 -1.581 -16.977 1.00 1.25 N ATOM 0 H GLN A 59 -7.613 -7.007 -19.014 1.00 0.20 H new ATOM 0 HA GLN A 59 -6.765 -4.373 -18.529 1.00 0.25 H new ATOM 0 HB2 GLN A 59 -9.142 -5.749 -18.619 1.00 0.31 H new ATOM 0 HB3 GLN A 59 -8.955 -5.592 -16.884 1.00 0.31 H new ATOM 0 HG2 GLN A 59 -8.858 -3.259 -18.826 1.00 0.41 H new ATOM 0 HG3 GLN A 59 -10.301 -3.767 -17.971 1.00 0.41 H new ATOM 0 HE21 GLN A 59 -8.756 -1.224 -17.924 1.00 1.25 H new ATOM 0 HE22 GLN A 59 -8.353 -0.947 -16.226 1.00 1.25 H new ATOM 922 N GLY A 60 -5.316 -4.656 -16.518 1.00 0.40 N ATOM 923 CA GLY A 60 -4.668 -4.455 -15.234 1.00 0.49 C ATOM 924 C GLY A 60 -4.119 -5.728 -14.622 1.00 0.44 C ATOM 925 O GLY A 60 -2.914 -5.980 -14.670 1.00 0.58 O ATOM 0 H GLY A 60 -4.791 -4.300 -17.317 1.00 0.40 H new ATOM 0 HA2 GLY A 60 -3.854 -3.741 -15.356 1.00 0.49 H new ATOM 0 HA3 GLY A 60 -5.383 -4.009 -14.542 1.00 0.49 H new ATOM 929 N ASN A 61 -4.999 -6.533 -14.048 1.00 0.47 N ATOM 930 CA ASN A 61 -4.581 -7.737 -13.345 1.00 0.52 C ATOM 931 C ASN A 61 -4.869 -8.954 -14.204 1.00 0.52 C ATOM 932 O ASN A 61 -5.917 -9.040 -14.838 1.00 0.49 O ATOM 933 CB ASN A 61 -5.294 -7.886 -11.998 1.00 0.63 C ATOM 934 CG ASN A 61 -5.037 -6.736 -11.037 1.00 1.27 C ATOM 935 OD1 ASN A 61 -4.865 -5.586 -11.443 1.00 2.20 O ATOM 936 ND2 ASN A 61 -5.022 -7.037 -9.750 1.00 1.71 N ATOM 0 H ASN A 61 -6.007 -6.375 -14.055 1.00 0.47 H new ATOM 0 HA ASN A 61 -3.511 -7.655 -13.153 1.00 0.52 H new ATOM 0 HB2 ASN A 61 -6.367 -7.969 -12.173 1.00 0.63 H new ATOM 0 HB3 ASN A 61 -4.975 -8.817 -11.530 1.00 0.63 H new ATOM 0 HD21 ASN A 61 -4.864 -6.305 -9.057 1.00 1.71 H new ATOM 0 HD22 ASN A 61 -5.168 -8.001 -9.450 1.00 1.71 H new ATOM 943 N THR A 62 -3.949 -9.900 -14.193 1.00 0.62 N ATOM 944 CA THR A 62 -4.024 -11.061 -15.060 1.00 0.71 C ATOM 945 C THR A 62 -5.147 -12.008 -14.638 1.00 0.70 C ATOM 946 O THR A 62 -5.662 -12.781 -15.447 1.00 0.82 O ATOM 947 CB THR A 62 -2.673 -11.792 -15.061 1.00 0.86 C ATOM 948 OG1 THR A 62 -2.338 -12.202 -13.727 1.00 0.87 O ATOM 949 CG2 THR A 62 -1.593 -10.863 -15.593 1.00 0.95 C ATOM 0 H THR A 62 -3.131 -9.886 -13.584 1.00 0.62 H new ATOM 0 HA THR A 62 -4.251 -10.719 -16.070 1.00 0.71 H new ATOM 0 HB THR A 62 -2.743 -12.673 -15.699 1.00 0.86 H new ATOM 0 HG1 THR A 62 -1.476 -12.669 -13.735 1.00 0.87 H new ATOM 0 HG21 THR A 62 -0.635 -11.382 -15.594 1.00 0.95 H new ATOM 0 HG22 THR A 62 -1.842 -10.560 -16.610 1.00 0.95 H new ATOM 0 HG23 THR A 62 -1.527 -9.980 -14.957 1.00 0.95 H new ATOM 957 N VAL A 63 -5.543 -11.917 -13.374 1.00 0.63 N ATOM 958 CA VAL A 63 -6.605 -12.761 -12.840 1.00 0.71 C ATOM 959 C VAL A 63 -7.927 -11.988 -12.782 1.00 0.64 C ATOM 960 O VAL A 63 -8.929 -12.474 -12.257 1.00 0.74 O ATOM 961 CB VAL A 63 -6.243 -13.285 -11.427 1.00 0.84 C ATOM 962 CG1 VAL A 63 -7.147 -14.446 -11.020 1.00 1.39 C ATOM 963 CG2 VAL A 63 -4.782 -13.701 -11.366 1.00 1.31 C ATOM 0 H VAL A 63 -5.144 -11.266 -12.698 1.00 0.63 H new ATOM 0 HA VAL A 63 -6.719 -13.615 -13.508 1.00 0.71 H new ATOM 0 HB VAL A 63 -6.401 -12.471 -10.720 1.00 0.84 H new ATOM 0 HG11 VAL A 63 -6.869 -14.792 -10.025 1.00 1.39 H new ATOM 0 HG12 VAL A 63 -8.185 -14.113 -11.012 1.00 1.39 H new ATOM 0 HG13 VAL A 63 -7.033 -15.263 -11.733 1.00 1.39 H new ATOM 0 HG21 VAL A 63 -4.549 -14.066 -10.366 1.00 1.31 H new ATOM 0 HG22 VAL A 63 -4.598 -14.492 -12.093 1.00 1.31 H new ATOM 0 HG23 VAL A 63 -4.150 -12.844 -11.596 1.00 1.31 H new ATOM 973 N ALA A 64 -7.930 -10.782 -13.343 1.00 0.55 N ATOM 974 CA ALA A 64 -9.125 -9.945 -13.334 1.00 0.53 C ATOM 975 C ALA A 64 -9.938 -10.142 -14.610 1.00 0.44 C ATOM 976 O ALA A 64 -11.071 -9.671 -14.718 1.00 0.56 O ATOM 977 CB ALA A 64 -8.760 -8.476 -13.160 1.00 0.57 C ATOM 0 H ALA A 64 -7.123 -10.365 -13.807 1.00 0.55 H new ATOM 0 HA ALA A 64 -9.738 -10.250 -12.485 1.00 0.53 H new ATOM 0 HB1 ALA A 64 -9.668 -7.873 -13.157 1.00 0.57 H new ATOM 0 HB2 ALA A 64 -8.232 -8.342 -12.216 1.00 0.57 H new ATOM 0 HB3 ALA A 64 -8.118 -8.161 -13.983 1.00 0.57 H new ATOM 983 N LEU A 65 -9.348 -10.823 -15.582 1.00 0.35 N ATOM 984 CA LEU A 65 -10.045 -11.141 -16.819 1.00 0.25 C ATOM 985 C LEU A 65 -10.316 -12.643 -16.856 1.00 0.22 C ATOM 986 O LEU A 65 -9.395 -13.450 -16.727 1.00 0.26 O ATOM 987 CB LEU A 65 -9.206 -10.673 -18.028 1.00 0.23 C ATOM 988 CG LEU A 65 -9.978 -10.424 -19.333 1.00 0.25 C ATOM 989 CD1 LEU A 65 -10.364 -11.744 -19.979 1.00 1.51 C ATOM 990 CD2 LEU A 65 -11.195 -9.561 -19.056 1.00 1.21 C ATOM 0 H LEU A 65 -8.388 -11.166 -15.538 1.00 0.35 H new ATOM 0 HA LEU A 65 -11.000 -10.618 -16.868 1.00 0.25 H new ATOM 0 HB2 LEU A 65 -8.692 -9.752 -17.753 1.00 0.23 H new ATOM 0 HB3 LEU A 65 -8.437 -11.421 -18.222 1.00 0.23 H new ATOM 0 HG LEU A 65 -9.338 -9.890 -20.035 1.00 0.25 H new ATOM 0 HD11 LEU A 65 -10.910 -11.551 -20.902 1.00 1.51 H new ATOM 0 HD12 LEU A 65 -9.464 -12.317 -20.203 1.00 1.51 H new ATOM 0 HD13 LEU A 65 -10.995 -12.312 -19.296 1.00 1.51 H new ATOM 0 HD21 LEU A 65 -11.738 -9.388 -19.985 1.00 1.21 H new ATOM 0 HD22 LEU A 65 -11.846 -10.068 -18.344 1.00 1.21 H new ATOM 0 HD23 LEU A 65 -10.876 -8.606 -18.639 1.00 1.21 H new ATOM 1002 N HIS A 66 -11.581 -13.015 -17.022 1.00 0.20 N ATOM 1003 CA HIS A 66 -11.987 -14.409 -16.879 1.00 0.21 C ATOM 1004 C HIS A 66 -12.499 -14.981 -18.197 1.00 0.15 C ATOM 1005 O HIS A 66 -13.030 -14.251 -19.037 1.00 0.15 O ATOM 1006 CB HIS A 66 -13.086 -14.539 -15.818 1.00 0.31 C ATOM 1007 CG HIS A 66 -12.729 -13.970 -14.476 1.00 0.53 C ATOM 1008 ND1 HIS A 66 -11.978 -14.634 -13.531 1.00 0.75 N ATOM 1009 CD2 HIS A 66 -13.043 -12.768 -13.926 1.00 0.76 C ATOM 1010 CE1 HIS A 66 -11.868 -13.839 -12.458 1.00 0.90 C ATOM 1011 NE2 HIS A 66 -12.496 -12.694 -12.647 1.00 0.91 N ATOM 0 H HIS A 66 -12.340 -12.374 -17.255 1.00 0.20 H new ATOM 0 HA HIS A 66 -11.106 -14.973 -16.572 1.00 0.21 H new ATOM 0 HB2 HIS A 66 -13.985 -14.041 -16.182 1.00 0.31 H new ATOM 0 HB3 HIS A 66 -13.333 -15.594 -15.697 1.00 0.31 H new ATOM 0 HD2 HIS A 66 -13.624 -11.993 -14.404 1.00 0.76 H new ATOM 0 HE1 HIS A 66 -11.335 -14.101 -11.556 1.00 0.90 H new ATOM 0 HE2 HIS A 66 -12.566 -11.915 -11.992 1.00 0.91 H new ATOM 1019 N PRO A 67 -12.336 -16.299 -18.399 1.00 0.15 N ATOM 1020 CA PRO A 67 -12.905 -16.991 -19.557 1.00 0.14 C ATOM 1021 C PRO A 67 -14.431 -17.044 -19.496 1.00 0.15 C ATOM 1022 O PRO A 67 -15.011 -17.233 -18.428 1.00 0.28 O ATOM 1023 CB PRO A 67 -12.311 -18.398 -19.464 1.00 0.19 C ATOM 1024 CG PRO A 67 -11.959 -18.574 -18.029 1.00 0.20 C ATOM 1025 CD PRO A 67 -11.571 -17.213 -17.529 1.00 0.19 C ATOM 0 HA PRO A 67 -12.672 -16.485 -20.494 1.00 0.14 H new ATOM 0 HB2 PRO A 67 -13.028 -19.151 -19.790 1.00 0.19 H new ATOM 0 HB3 PRO A 67 -11.432 -18.498 -20.101 1.00 0.19 H new ATOM 0 HG2 PRO A 67 -12.804 -18.971 -17.466 1.00 0.20 H new ATOM 0 HG3 PRO A 67 -11.138 -19.281 -17.912 1.00 0.20 H new ATOM 0 HD2 PRO A 67 -11.832 -17.081 -16.479 1.00 0.19 H new ATOM 0 HD3 PRO A 67 -10.497 -17.044 -17.614 1.00 0.19 H new ATOM 1033 N GLY A 68 -15.072 -16.869 -20.645 1.00 0.15 N ATOM 1034 CA GLY A 68 -16.521 -16.861 -20.689 1.00 0.18 C ATOM 1035 C GLY A 68 -17.102 -15.500 -20.366 1.00 0.18 C ATOM 1036 O GLY A 68 -18.320 -15.320 -20.376 1.00 0.22 O ATOM 0 H GLY A 68 -14.614 -16.733 -21.546 1.00 0.15 H new ATOM 0 HA2 GLY A 68 -16.853 -17.169 -21.681 1.00 0.18 H new ATOM 0 HA3 GLY A 68 -16.907 -17.595 -19.982 1.00 0.18 H new ATOM 1040 N ASP A 69 -16.233 -14.546 -20.071 1.00 0.18 N ATOM 1041 CA ASP A 69 -16.664 -13.192 -19.752 1.00 0.20 C ATOM 1042 C ASP A 69 -16.587 -12.322 -20.997 1.00 0.13 C ATOM 1043 O ASP A 69 -15.863 -12.648 -21.942 1.00 0.12 O ATOM 1044 CB ASP A 69 -15.780 -12.598 -18.657 1.00 0.27 C ATOM 1045 CG ASP A 69 -16.537 -11.654 -17.741 1.00 0.68 C ATOM 1046 OD1 ASP A 69 -17.337 -10.835 -18.249 1.00 1.28 O ATOM 1047 OD2 ASP A 69 -16.337 -11.714 -16.513 1.00 1.09 O ATOM 0 H ASP A 69 -15.223 -14.684 -20.046 1.00 0.18 H new ATOM 0 HA ASP A 69 -17.693 -13.227 -19.395 1.00 0.20 H new ATOM 0 HB2 ASP A 69 -15.350 -13.406 -18.065 1.00 0.27 H new ATOM 0 HB3 ASP A 69 -14.949 -12.063 -19.117 1.00 0.27 H new ATOM 1052 N THR A 70 -17.318 -11.219 -20.997 1.00 0.13 N ATOM 1053 CA THR A 70 -17.307 -10.309 -22.127 1.00 0.11 C ATOM 1054 C THR A 70 -16.124 -9.363 -22.007 1.00 0.10 C ATOM 1055 O THR A 70 -15.841 -8.839 -20.928 1.00 0.14 O ATOM 1056 CB THR A 70 -18.605 -9.483 -22.212 1.00 0.14 C ATOM 1057 OG1 THR A 70 -19.734 -10.314 -21.902 1.00 0.17 O ATOM 1058 CG2 THR A 70 -18.781 -8.896 -23.610 1.00 0.15 C ATOM 0 H THR A 70 -17.925 -10.934 -20.228 1.00 0.13 H new ATOM 0 HA THR A 70 -17.226 -10.909 -23.033 1.00 0.11 H new ATOM 0 HB THR A 70 -18.539 -8.667 -21.492 1.00 0.14 H new ATOM 0 HG1 THR A 70 -20.556 -9.783 -21.956 1.00 0.17 H new ATOM 0 HG21 THR A 70 -19.704 -8.317 -23.648 1.00 0.15 H new ATOM 0 HG22 THR A 70 -17.936 -8.248 -23.842 1.00 0.15 H new ATOM 0 HG23 THR A 70 -18.830 -9.704 -24.340 1.00 0.15 H new ATOM 1066 N VAL A 71 -15.414 -9.161 -23.099 1.00 0.10 N ATOM 1067 CA VAL A 71 -14.252 -8.298 -23.086 1.00 0.12 C ATOM 1068 C VAL A 71 -14.249 -7.407 -24.321 1.00 0.12 C ATOM 1069 O VAL A 71 -14.929 -7.703 -25.310 1.00 0.16 O ATOM 1070 CB VAL A 71 -12.944 -9.115 -23.050 1.00 0.17 C ATOM 1071 CG1 VAL A 71 -12.988 -10.131 -21.924 1.00 0.31 C ATOM 1072 CG2 VAL A 71 -12.691 -9.794 -24.387 1.00 0.24 C ATOM 0 H VAL A 71 -15.621 -9.582 -24.004 1.00 0.10 H new ATOM 0 HA VAL A 71 -14.305 -7.687 -22.185 1.00 0.12 H new ATOM 0 HB VAL A 71 -12.116 -8.431 -22.863 1.00 0.17 H new ATOM 0 HG11 VAL A 71 -12.058 -10.700 -21.911 1.00 0.31 H new ATOM 0 HG12 VAL A 71 -13.111 -9.614 -20.972 1.00 0.31 H new ATOM 0 HG13 VAL A 71 -13.827 -10.810 -22.079 1.00 0.31 H new ATOM 0 HG21 VAL A 71 -11.763 -10.364 -24.336 1.00 0.24 H new ATOM 0 HG22 VAL A 71 -13.518 -10.467 -24.616 1.00 0.24 H new ATOM 0 HG23 VAL A 71 -12.611 -9.039 -25.169 1.00 0.24 H new ATOM 1082 N GLU A 72 -13.513 -6.313 -24.269 1.00 0.14 N ATOM 1083 CA GLU A 72 -13.282 -5.526 -25.459 1.00 0.14 C ATOM 1084 C GLU A 72 -11.808 -5.556 -25.777 1.00 0.14 C ATOM 1085 O GLU A 72 -10.966 -5.562 -24.878 1.00 0.24 O ATOM 1086 CB GLU A 72 -13.812 -4.086 -25.340 1.00 0.21 C ATOM 1087 CG GLU A 72 -12.808 -3.048 -24.879 1.00 0.33 C ATOM 1088 CD GLU A 72 -13.348 -1.635 -25.005 1.00 0.42 C ATOM 1089 OE1 GLU A 72 -12.546 -0.678 -24.899 1.00 0.59 O ATOM 1090 OE2 GLU A 72 -14.575 -1.477 -25.201 1.00 0.78 O ATOM 0 H GLU A 72 -13.070 -5.954 -23.423 1.00 0.14 H new ATOM 0 HA GLU A 72 -13.846 -5.968 -26.281 1.00 0.14 H new ATOM 0 HB2 GLU A 72 -14.201 -3.781 -26.311 1.00 0.21 H new ATOM 0 HB3 GLU A 72 -14.652 -4.085 -24.645 1.00 0.21 H new ATOM 0 HG2 GLU A 72 -12.538 -3.241 -23.841 1.00 0.33 H new ATOM 0 HG3 GLU A 72 -11.895 -3.141 -25.468 1.00 0.33 H new ATOM 1097 N PHE A 73 -11.511 -5.625 -27.050 1.00 0.09 N ATOM 1098 CA PHE A 73 -10.158 -5.808 -27.513 1.00 0.08 C ATOM 1099 C PHE A 73 -9.965 -5.077 -28.827 1.00 0.07 C ATOM 1100 O PHE A 73 -10.888 -4.455 -29.340 1.00 0.07 O ATOM 1101 CB PHE A 73 -9.854 -7.301 -27.684 1.00 0.08 C ATOM 1102 CG PHE A 73 -10.850 -8.039 -28.537 1.00 0.08 C ATOM 1103 CD1 PHE A 73 -10.600 -8.291 -29.877 1.00 0.09 C ATOM 1104 CD2 PHE A 73 -12.040 -8.488 -27.990 1.00 0.11 C ATOM 1105 CE1 PHE A 73 -11.519 -8.973 -30.649 1.00 0.10 C ATOM 1106 CE2 PHE A 73 -12.960 -9.169 -28.759 1.00 0.11 C ATOM 1107 CZ PHE A 73 -12.699 -9.413 -30.090 1.00 0.10 C ATOM 0 H PHE A 73 -12.202 -5.556 -27.797 1.00 0.09 H new ATOM 0 HA PHE A 73 -9.469 -5.398 -26.774 1.00 0.08 H new ATOM 0 HB2 PHE A 73 -8.863 -7.410 -28.125 1.00 0.08 H new ATOM 0 HB3 PHE A 73 -9.818 -7.768 -26.700 1.00 0.08 H new ATOM 0 HD1 PHE A 73 -9.677 -7.950 -30.322 1.00 0.09 H new ATOM 0 HD2 PHE A 73 -12.251 -8.302 -26.947 1.00 0.11 H new ATOM 0 HE1 PHE A 73 -11.313 -9.162 -31.692 1.00 0.10 H new ATOM 0 HE2 PHE A 73 -13.885 -9.511 -28.318 1.00 0.11 H new ATOM 0 HZ PHE A 73 -13.418 -9.948 -30.693 1.00 0.10 H new ATOM 1117 N SER A 74 -8.774 -5.152 -29.364 1.00 0.09 N ATOM 1118 CA SER A 74 -8.476 -4.516 -30.628 1.00 0.10 C ATOM 1119 C SER A 74 -7.859 -5.537 -31.558 1.00 0.12 C ATOM 1120 O SER A 74 -6.896 -6.210 -31.192 1.00 0.19 O ATOM 1121 CB SER A 74 -7.528 -3.336 -30.404 1.00 0.15 C ATOM 1122 OG SER A 74 -8.046 -2.457 -29.417 1.00 0.86 O ATOM 0 H SER A 74 -7.988 -5.650 -28.945 1.00 0.09 H new ATOM 0 HA SER A 74 -9.391 -4.133 -31.080 1.00 0.10 H new ATOM 0 HB2 SER A 74 -6.550 -3.703 -30.094 1.00 0.15 H new ATOM 0 HB3 SER A 74 -7.384 -2.796 -31.340 1.00 0.15 H new ATOM 0 HG SER A 74 -7.425 -1.710 -29.286 1.00 0.86 H new ATOM 1128 N VAL A 75 -8.418 -5.667 -32.746 1.00 0.17 N ATOM 1129 CA VAL A 75 -8.011 -6.716 -33.655 1.00 0.19 C ATOM 1130 C VAL A 75 -6.914 -6.237 -34.610 1.00 0.20 C ATOM 1131 O VAL A 75 -7.168 -5.548 -35.596 1.00 0.27 O ATOM 1132 CB VAL A 75 -9.231 -7.288 -34.427 1.00 0.27 C ATOM 1133 CG1 VAL A 75 -9.943 -6.219 -35.247 1.00 0.33 C ATOM 1134 CG2 VAL A 75 -8.817 -8.455 -35.304 1.00 0.36 C ATOM 0 H VAL A 75 -9.155 -5.058 -33.102 1.00 0.17 H new ATOM 0 HA VAL A 75 -7.587 -7.525 -33.060 1.00 0.19 H new ATOM 0 HB VAL A 75 -9.941 -7.649 -33.683 1.00 0.27 H new ATOM 0 HG11 VAL A 75 -10.789 -6.665 -35.770 1.00 0.33 H new ATOM 0 HG12 VAL A 75 -10.300 -5.430 -34.585 1.00 0.33 H new ATOM 0 HG13 VAL A 75 -9.250 -5.796 -35.974 1.00 0.33 H new ATOM 0 HG21 VAL A 75 -9.689 -8.839 -35.835 1.00 0.36 H new ATOM 0 HG22 VAL A 75 -8.071 -8.121 -36.025 1.00 0.36 H new ATOM 0 HG23 VAL A 75 -8.394 -9.245 -34.683 1.00 0.36 H new ATOM 1144 N VAL A 76 -5.679 -6.579 -34.286 1.00 0.19 N ATOM 1145 CA VAL A 76 -4.559 -6.246 -35.143 1.00 0.26 C ATOM 1146 C VAL A 76 -4.174 -7.458 -35.993 1.00 0.25 C ATOM 1147 O VAL A 76 -3.734 -8.486 -35.479 1.00 0.25 O ATOM 1148 CB VAL A 76 -3.357 -5.712 -34.322 1.00 0.33 C ATOM 1149 CG1 VAL A 76 -2.953 -6.675 -33.216 1.00 0.32 C ATOM 1150 CG2 VAL A 76 -2.179 -5.395 -35.225 1.00 0.42 C ATOM 0 H VAL A 76 -5.429 -7.086 -33.437 1.00 0.19 H new ATOM 0 HA VAL A 76 -4.860 -5.442 -35.814 1.00 0.26 H new ATOM 0 HB VAL A 76 -3.678 -4.787 -33.844 1.00 0.33 H new ATOM 0 HG11 VAL A 76 -2.108 -6.263 -32.665 1.00 0.32 H new ATOM 0 HG12 VAL A 76 -3.792 -6.821 -32.536 1.00 0.32 H new ATOM 0 HG13 VAL A 76 -2.669 -7.632 -33.653 1.00 0.32 H new ATOM 0 HG21 VAL A 76 -1.350 -5.022 -34.624 1.00 0.42 H new ATOM 0 HG22 VAL A 76 -1.869 -6.299 -35.750 1.00 0.42 H new ATOM 0 HG23 VAL A 76 -2.471 -4.636 -35.951 1.00 0.42 H new ATOM 1160 N THR A 77 -4.400 -7.338 -37.294 1.00 0.34 N ATOM 1161 CA THR A 77 -4.219 -8.445 -38.223 1.00 0.38 C ATOM 1162 C THR A 77 -2.824 -8.420 -38.844 1.00 0.44 C ATOM 1163 O THR A 77 -2.300 -7.350 -39.152 1.00 0.56 O ATOM 1164 CB THR A 77 -5.293 -8.374 -39.331 1.00 0.57 C ATOM 1165 OG1 THR A 77 -6.594 -8.342 -38.728 1.00 0.67 O ATOM 1166 CG2 THR A 77 -5.206 -9.563 -40.275 1.00 0.62 C ATOM 0 H THR A 77 -4.713 -6.473 -37.734 1.00 0.34 H new ATOM 0 HA THR A 77 -4.326 -9.379 -37.671 1.00 0.38 H new ATOM 0 HB THR A 77 -5.119 -7.468 -39.912 1.00 0.57 H new ATOM 0 HG1 THR A 77 -7.278 -8.295 -39.428 1.00 0.67 H new ATOM 0 HG21 THR A 77 -5.977 -9.477 -41.040 1.00 0.62 H new ATOM 0 HG22 THR A 77 -4.225 -9.580 -40.749 1.00 0.62 H new ATOM 0 HG23 THR A 77 -5.353 -10.485 -39.713 1.00 0.62 H new ATOM 1174 N ASN A 78 -2.215 -9.596 -39.007 1.00 0.44 N ATOM 1175 CA ASN A 78 -0.894 -9.680 -39.616 1.00 0.57 C ATOM 1176 C ASN A 78 -0.979 -9.390 -41.105 1.00 0.66 C ATOM 1177 O ASN A 78 -1.849 -9.912 -41.797 1.00 0.70 O ATOM 1178 CB ASN A 78 -0.298 -11.073 -39.425 1.00 0.64 C ATOM 1179 CG ASN A 78 1.187 -11.130 -39.723 1.00 1.10 C ATOM 1180 OD1 ASN A 78 1.658 -12.090 -40.323 1.00 1.82 O ATOM 1181 ND2 ASN A 78 1.937 -10.128 -39.286 1.00 1.54 N ATOM 0 H ASN A 78 -2.613 -10.493 -38.728 1.00 0.44 H new ATOM 0 HA ASN A 78 -0.257 -8.941 -39.130 1.00 0.57 H new ATOM 0 HB2 ASN A 78 -0.469 -11.397 -38.399 1.00 0.64 H new ATOM 0 HB3 ASN A 78 -0.820 -11.777 -40.073 1.00 0.64 H new ATOM 0 HD21 ASN A 78 2.944 -10.138 -39.445 1.00 1.54 H new ATOM 0 HD22 ASN A 78 1.507 -9.347 -38.791 1.00 1.54 H new ATOM 1188 N GLN A 79 -0.070 -8.570 -41.598 1.00 0.79 N ATOM 1189 CA GLN A 79 -0.020 -8.254 -43.015 1.00 0.91 C ATOM 1190 C GLN A 79 0.599 -9.401 -43.812 1.00 0.94 C ATOM 1191 O GLN A 79 0.527 -9.422 -45.038 1.00 1.06 O ATOM 1192 CB GLN A 79 0.769 -6.965 -43.263 1.00 1.09 C ATOM 1193 CG GLN A 79 2.225 -7.020 -42.819 1.00 1.18 C ATOM 1194 CD GLN A 79 2.435 -6.622 -41.368 1.00 1.43 C ATOM 1195 OE1 GLN A 79 1.582 -6.842 -40.511 1.00 1.95 O ATOM 1196 NE2 GLN A 79 3.574 -6.017 -41.085 1.00 1.90 N ATOM 0 H GLN A 79 0.646 -8.109 -41.037 1.00 0.79 H new ATOM 0 HA GLN A 79 -1.046 -8.107 -43.353 1.00 0.91 H new ATOM 0 HB2 GLN A 79 0.736 -6.733 -44.327 1.00 1.09 H new ATOM 0 HB3 GLN A 79 0.274 -6.145 -42.742 1.00 1.09 H new ATOM 0 HG2 GLN A 79 2.603 -8.031 -42.968 1.00 1.18 H new ATOM 0 HG3 GLN A 79 2.815 -6.362 -43.456 1.00 1.18 H new ATOM 0 HE21 GLN A 79 4.260 -5.851 -41.821 1.00 1.90 H new ATOM 0 HE22 GLN A 79 3.768 -5.716 -40.130 1.00 1.90 H new ATOM 1205 N ARG A 80 1.210 -10.348 -43.112 1.00 0.93 N ATOM 1206 CA ARG A 80 1.876 -11.469 -43.766 1.00 1.03 C ATOM 1207 C ARG A 80 0.964 -12.696 -43.849 1.00 1.02 C ATOM 1208 O ARG A 80 0.690 -13.199 -44.938 1.00 1.21 O ATOM 1209 CB ARG A 80 3.170 -11.815 -43.022 1.00 1.18 C ATOM 1210 CG ARG A 80 3.981 -12.951 -43.638 1.00 1.35 C ATOM 1211 CD ARG A 80 4.546 -12.581 -45.006 1.00 1.67 C ATOM 1212 NE ARG A 80 3.554 -12.717 -46.079 1.00 2.41 N ATOM 1213 CZ ARG A 80 3.486 -11.918 -47.148 1.00 3.02 C ATOM 1214 NH1 ARG A 80 4.297 -10.871 -47.266 1.00 3.01 N ATOM 1215 NH2 ARG A 80 2.592 -12.162 -48.098 1.00 3.99 N ATOM 0 H ARG A 80 1.259 -10.363 -42.093 1.00 0.93 H new ATOM 0 HA ARG A 80 2.117 -11.169 -44.786 1.00 1.03 H new ATOM 0 HB2 ARG A 80 3.796 -10.924 -42.978 1.00 1.18 H new ATOM 0 HB3 ARG A 80 2.921 -12.081 -41.995 1.00 1.18 H new ATOM 0 HG2 ARG A 80 4.799 -13.215 -42.968 1.00 1.35 H new ATOM 0 HG3 ARG A 80 3.350 -13.835 -43.734 1.00 1.35 H new ATOM 0 HD2 ARG A 80 4.910 -11.554 -44.980 1.00 1.67 H new ATOM 0 HD3 ARG A 80 5.404 -13.217 -45.226 1.00 1.67 H new ATOM 0 HE ARG A 80 2.871 -13.471 -46.004 1.00 2.41 H new ATOM 0 HH11 ARG A 80 4.980 -10.670 -46.536 1.00 3.01 H new ATOM 0 HH12 ARG A 80 4.236 -10.268 -48.087 1.00 3.01 H new ATOM 0 HH21 ARG A 80 1.959 -12.957 -48.011 1.00 3.99 H new ATOM 0 HH22 ARG A 80 2.537 -11.554 -48.915 1.00 3.99 H new ATOM 1229 N ASN A 81 0.515 -13.187 -42.697 1.00 0.91 N ATOM 1230 CA ASN A 81 -0.296 -14.407 -42.655 1.00 1.01 C ATOM 1231 C ASN A 81 -1.750 -14.120 -42.300 1.00 0.87 C ATOM 1232 O ASN A 81 -2.563 -15.037 -42.219 1.00 1.04 O ATOM 1233 CB ASN A 81 0.286 -15.410 -41.653 1.00 1.16 C ATOM 1234 CG ASN A 81 1.623 -15.986 -42.094 1.00 1.53 C ATOM 1235 OD1 ASN A 81 2.480 -16.286 -41.268 1.00 1.95 O ATOM 1236 ND2 ASN A 81 1.804 -16.161 -43.396 1.00 2.21 N ATOM 0 H ASN A 81 0.695 -12.765 -41.786 1.00 0.91 H new ATOM 0 HA ASN A 81 -0.272 -14.835 -43.657 1.00 1.01 H new ATOM 0 HB2 ASN A 81 0.409 -14.920 -40.687 1.00 1.16 H new ATOM 0 HB3 ASN A 81 -0.424 -16.224 -41.509 1.00 1.16 H new ATOM 0 HD21 ASN A 81 2.679 -16.557 -43.741 1.00 2.21 H new ATOM 0 HD22 ASN A 81 1.069 -15.900 -44.053 1.00 2.21 H new ATOM 1243 N GLY A 82 -2.073 -12.853 -42.075 1.00 0.68 N ATOM 1244 CA GLY A 82 -3.448 -12.483 -41.783 1.00 0.69 C ATOM 1245 C GLY A 82 -3.884 -12.866 -40.382 1.00 0.52 C ATOM 1246 O GLY A 82 -5.075 -12.884 -40.074 1.00 0.58 O ATOM 0 H GLY A 82 -1.412 -12.076 -42.089 1.00 0.68 H new ATOM 0 HA2 GLY A 82 -3.563 -11.407 -41.911 1.00 0.69 H new ATOM 0 HA3 GLY A 82 -4.108 -12.962 -42.506 1.00 0.69 H new ATOM 1250 N LYS A 83 -2.923 -13.164 -39.528 1.00 0.45 N ATOM 1251 CA LYS A 83 -3.225 -13.580 -38.170 1.00 0.39 C ATOM 1252 C LYS A 83 -3.333 -12.401 -37.244 1.00 0.35 C ATOM 1253 O LYS A 83 -2.473 -11.531 -37.216 1.00 0.49 O ATOM 1254 CB LYS A 83 -2.177 -14.557 -37.673 1.00 0.53 C ATOM 1255 CG LYS A 83 -2.264 -15.854 -38.422 1.00 0.64 C ATOM 1256 CD LYS A 83 -1.329 -16.910 -37.854 1.00 1.01 C ATOM 1257 CE LYS A 83 -1.373 -18.186 -38.683 1.00 1.61 C ATOM 1258 NZ LYS A 83 -0.476 -19.239 -38.139 1.00 2.42 N ATOM 0 H LYS A 83 -1.928 -13.126 -39.749 1.00 0.45 H new ATOM 0 HA LYS A 83 -4.194 -14.080 -38.180 1.00 0.39 H new ATOM 0 HB2 LYS A 83 -1.183 -14.126 -37.796 1.00 0.53 H new ATOM 0 HB3 LYS A 83 -2.317 -14.737 -36.607 1.00 0.53 H new ATOM 0 HG2 LYS A 83 -3.289 -16.223 -38.388 1.00 0.64 H new ATOM 0 HG3 LYS A 83 -2.021 -15.683 -39.471 1.00 0.64 H new ATOM 0 HD2 LYS A 83 -0.310 -16.523 -37.831 1.00 1.01 H new ATOM 0 HD3 LYS A 83 -1.609 -17.132 -36.824 1.00 1.01 H new ATOM 0 HE2 LYS A 83 -2.396 -18.562 -38.714 1.00 1.61 H new ATOM 0 HE3 LYS A 83 -1.085 -17.960 -39.710 1.00 1.61 H new ATOM 0 HZ1 LYS A 83 -0.538 -20.089 -38.734 1.00 2.42 H new ATOM 0 HZ2 LYS A 83 0.504 -18.891 -38.133 1.00 2.42 H new ATOM 0 HZ3 LYS A 83 -0.766 -19.474 -37.168 1.00 2.42 H new ATOM 1272 N SER A 84 -4.393 -12.396 -36.481 1.00 0.31 N ATOM 1273 CA SER A 84 -4.731 -11.266 -35.661 1.00 0.25 C ATOM 1274 C SER A 84 -4.460 -11.548 -34.189 1.00 0.24 C ATOM 1275 O SER A 84 -4.181 -12.684 -33.800 1.00 0.30 O ATOM 1276 CB SER A 84 -6.197 -10.945 -35.884 1.00 0.27 C ATOM 1277 OG SER A 84 -6.442 -10.601 -37.238 1.00 1.08 O ATOM 0 H SER A 84 -5.046 -13.176 -36.411 1.00 0.31 H new ATOM 0 HA SER A 84 -4.111 -10.414 -35.940 1.00 0.25 H new ATOM 0 HB2 SER A 84 -6.807 -11.805 -35.607 1.00 0.27 H new ATOM 0 HB3 SER A 84 -6.495 -10.121 -35.236 1.00 0.27 H new ATOM 0 HG SER A 84 -6.466 -9.625 -37.328 1.00 1.08 H new ATOM 1283 N SER A 85 -4.548 -10.506 -33.382 1.00 0.20 N ATOM 1284 CA SER A 85 -4.366 -10.612 -31.945 1.00 0.20 C ATOM 1285 C SER A 85 -5.231 -9.570 -31.249 1.00 0.18 C ATOM 1286 O SER A 85 -5.551 -8.538 -31.842 1.00 0.26 O ATOM 1287 CB SER A 85 -2.891 -10.417 -31.571 1.00 0.25 C ATOM 1288 OG SER A 85 -2.068 -11.342 -32.261 1.00 0.87 O ATOM 0 H SER A 85 -4.748 -9.560 -33.705 1.00 0.20 H new ATOM 0 HA SER A 85 -4.668 -11.608 -31.620 1.00 0.20 H new ATOM 0 HB2 SER A 85 -2.582 -9.400 -31.811 1.00 0.25 H new ATOM 0 HB3 SER A 85 -2.765 -10.543 -30.496 1.00 0.25 H new ATOM 0 HG SER A 85 -1.949 -12.146 -31.713 1.00 0.87 H new ATOM 1294 N ALA A 86 -5.626 -9.849 -30.016 1.00 0.14 N ATOM 1295 CA ALA A 86 -6.447 -8.938 -29.254 1.00 0.12 C ATOM 1296 C ALA A 86 -5.581 -8.068 -28.359 1.00 0.13 C ATOM 1297 O ALA A 86 -4.815 -8.571 -27.542 1.00 0.17 O ATOM 1298 CB ALA A 86 -7.460 -9.718 -28.432 1.00 0.13 C ATOM 0 H ALA A 86 -5.385 -10.709 -29.523 1.00 0.14 H new ATOM 0 HA ALA A 86 -6.986 -8.286 -29.941 1.00 0.12 H new ATOM 0 HB1 ALA A 86 -8.076 -9.024 -27.860 1.00 0.13 H new ATOM 0 HB2 ALA A 86 -8.095 -10.303 -29.097 1.00 0.13 H new ATOM 0 HB3 ALA A 86 -6.937 -10.387 -27.749 1.00 0.13 H new ATOM 1304 N CYS A 87 -5.697 -6.767 -28.527 1.00 0.14 N ATOM 1305 CA CYS A 87 -4.939 -5.825 -27.724 1.00 0.17 C ATOM 1306 C CYS A 87 -5.878 -4.971 -26.891 1.00 0.17 C ATOM 1307 O CYS A 87 -7.003 -4.705 -27.306 1.00 0.21 O ATOM 1308 CB CYS A 87 -4.090 -4.940 -28.635 1.00 0.22 C ATOM 1309 SG CYS A 87 -2.738 -5.817 -29.458 1.00 0.68 S ATOM 0 H CYS A 87 -6.312 -6.334 -29.216 1.00 0.14 H new ATOM 0 HA CYS A 87 -4.283 -6.377 -27.051 1.00 0.17 H new ATOM 0 HB2 CYS A 87 -4.733 -4.492 -29.392 1.00 0.22 H new ATOM 0 HB3 CYS A 87 -3.674 -4.122 -28.046 1.00 0.22 H new ATOM 0 HG CYS A 87 -2.076 -4.988 -30.209 1.00 0.68 H new ATOM 1315 N ASN A 88 -5.412 -4.566 -25.715 1.00 0.17 N ATOM 1316 CA ASN A 88 -6.213 -3.769 -24.789 1.00 0.20 C ATOM 1317 C ASN A 88 -7.481 -4.521 -24.403 1.00 0.18 C ATOM 1318 O ASN A 88 -8.590 -4.082 -24.685 1.00 0.27 O ATOM 1319 CB ASN A 88 -6.571 -2.406 -25.395 1.00 0.27 C ATOM 1320 CG ASN A 88 -5.348 -1.566 -25.724 1.00 0.99 C ATOM 1321 OD1 ASN A 88 -4.795 -1.652 -26.822 1.00 1.82 O ATOM 1322 ND2 ASN A 88 -4.918 -0.751 -24.773 1.00 1.60 N ATOM 0 H ASN A 88 -4.474 -4.779 -25.376 1.00 0.17 H new ATOM 0 HA ASN A 88 -5.616 -3.595 -23.894 1.00 0.20 H new ATOM 0 HB2 ASN A 88 -7.155 -2.560 -26.302 1.00 0.27 H new ATOM 0 HB3 ASN A 88 -7.205 -1.859 -24.697 1.00 0.27 H new ATOM 0 HD21 ASN A 88 -4.100 -0.164 -24.936 1.00 1.60 H new ATOM 0 HD22 ASN A 88 -5.405 -0.710 -23.878 1.00 1.60 H new ATOM 1329 N VAL A 89 -7.292 -5.669 -23.769 1.00 0.14 N ATOM 1330 CA VAL A 89 -8.388 -6.534 -23.373 1.00 0.15 C ATOM 1331 C VAL A 89 -9.023 -6.039 -22.080 1.00 0.19 C ATOM 1332 O VAL A 89 -8.518 -6.281 -20.985 1.00 0.32 O ATOM 1333 CB VAL A 89 -7.906 -7.991 -23.201 1.00 0.15 C ATOM 1334 CG1 VAL A 89 -9.011 -8.868 -22.648 1.00 0.22 C ATOM 1335 CG2 VAL A 89 -7.399 -8.545 -24.526 1.00 0.14 C ATOM 0 H VAL A 89 -6.371 -6.026 -23.515 1.00 0.14 H new ATOM 0 HA VAL A 89 -9.137 -6.508 -24.165 1.00 0.15 H new ATOM 0 HB VAL A 89 -7.084 -7.992 -22.486 1.00 0.15 H new ATOM 0 HG11 VAL A 89 -8.644 -9.888 -22.537 1.00 0.22 H new ATOM 0 HG12 VAL A 89 -9.325 -8.488 -21.676 1.00 0.22 H new ATOM 0 HG13 VAL A 89 -9.859 -8.860 -23.333 1.00 0.22 H new ATOM 0 HG21 VAL A 89 -7.063 -9.573 -24.386 1.00 0.14 H new ATOM 0 HG22 VAL A 89 -8.203 -8.523 -25.261 1.00 0.14 H new ATOM 0 HG23 VAL A 89 -6.567 -7.937 -24.880 1.00 0.14 H new ATOM 1345 N LEU A 90 -10.128 -5.337 -22.227 1.00 0.11 N ATOM 1346 CA LEU A 90 -10.830 -4.750 -21.096 1.00 0.16 C ATOM 1347 C LEU A 90 -12.015 -5.614 -20.697 1.00 0.11 C ATOM 1348 O LEU A 90 -12.626 -6.260 -21.544 1.00 0.13 O ATOM 1349 CB LEU A 90 -11.303 -3.343 -21.456 1.00 0.26 C ATOM 1350 CG LEU A 90 -10.405 -2.202 -20.984 1.00 0.43 C ATOM 1351 CD1 LEU A 90 -9.025 -2.308 -21.605 1.00 0.99 C ATOM 1352 CD2 LEU A 90 -11.038 -0.867 -21.319 1.00 1.12 C ATOM 0 H LEU A 90 -10.567 -5.156 -23.130 1.00 0.11 H new ATOM 0 HA LEU A 90 -10.146 -4.693 -20.250 1.00 0.16 H new ATOM 0 HB2 LEU A 90 -11.402 -3.279 -22.540 1.00 0.26 H new ATOM 0 HB3 LEU A 90 -12.298 -3.195 -21.036 1.00 0.26 H new ATOM 0 HG LEU A 90 -10.294 -2.276 -19.902 1.00 0.43 H new ATOM 0 HD11 LEU A 90 -8.404 -1.484 -21.254 1.00 0.99 H new ATOM 0 HD12 LEU A 90 -8.568 -3.255 -21.318 1.00 0.99 H new ATOM 0 HD13 LEU A 90 -9.110 -2.261 -22.691 1.00 0.99 H new ATOM 0 HD21 LEU A 90 -10.389 -0.061 -20.978 1.00 1.12 H new ATOM 0 HD22 LEU A 90 -11.176 -0.790 -22.398 1.00 1.12 H new ATOM 0 HD23 LEU A 90 -12.005 -0.788 -20.823 1.00 1.12 H new ATOM 1364 N LYS A 91 -12.339 -5.632 -19.407 1.00 0.16 N ATOM 1365 CA LYS A 91 -13.469 -6.408 -18.930 1.00 0.18 C ATOM 1366 C LYS A 91 -14.768 -5.667 -19.219 1.00 0.18 C ATOM 1367 O LYS A 91 -14.946 -4.524 -18.802 1.00 0.32 O ATOM 1368 CB LYS A 91 -13.352 -6.686 -17.427 1.00 0.27 C ATOM 1369 CG LYS A 91 -13.607 -8.141 -17.059 1.00 0.45 C ATOM 1370 CD LYS A 91 -14.926 -8.642 -17.626 1.00 0.59 C ATOM 1371 CE LYS A 91 -16.107 -8.256 -16.754 1.00 0.71 C ATOM 1372 NZ LYS A 91 -16.250 -9.177 -15.596 1.00 1.33 N ATOM 0 H LYS A 91 -11.836 -5.121 -18.682 1.00 0.16 H new ATOM 0 HA LYS A 91 -13.471 -7.363 -19.455 1.00 0.18 H new ATOM 0 HB2 LYS A 91 -12.355 -6.403 -17.089 1.00 0.27 H new ATOM 0 HB3 LYS A 91 -14.061 -6.054 -16.892 1.00 0.27 H new ATOM 0 HG2 LYS A 91 -12.791 -8.759 -17.434 1.00 0.45 H new ATOM 0 HG3 LYS A 91 -13.614 -8.246 -15.974 1.00 0.45 H new ATOM 0 HD2 LYS A 91 -15.067 -8.235 -18.627 1.00 0.59 H new ATOM 0 HD3 LYS A 91 -14.889 -9.727 -17.725 1.00 0.59 H new ATOM 0 HE2 LYS A 91 -15.978 -7.235 -16.395 1.00 0.71 H new ATOM 0 HE3 LYS A 91 -17.021 -8.272 -17.348 1.00 0.71 H new ATOM 0 HZ1 LYS A 91 -17.248 -9.218 -15.306 1.00 1.33 H new ATOM 0 HZ2 LYS A 91 -15.929 -10.128 -15.867 1.00 1.33 H new ATOM 0 HZ3 LYS A 91 -15.673 -8.830 -14.803 1.00 1.33 H new ATOM 1386 N ILE A 92 -15.665 -6.321 -19.928 1.00 0.16 N ATOM 1387 CA ILE A 92 -16.931 -5.723 -20.299 1.00 0.18 C ATOM 1388 C ILE A 92 -18.072 -6.353 -19.516 1.00 0.27 C ATOM 1389 O ILE A 92 -18.291 -7.564 -19.574 1.00 0.28 O ATOM 1390 CB ILE A 92 -17.184 -5.875 -21.813 1.00 0.16 C ATOM 1391 CG1 ILE A 92 -16.099 -5.150 -22.607 1.00 0.15 C ATOM 1392 CG2 ILE A 92 -18.558 -5.352 -22.196 1.00 0.21 C ATOM 1393 CD1 ILE A 92 -16.009 -3.672 -22.296 1.00 0.16 C ATOM 0 H ILE A 92 -15.538 -7.277 -20.262 1.00 0.16 H new ATOM 0 HA ILE A 92 -16.885 -4.661 -20.058 1.00 0.18 H new ATOM 0 HB ILE A 92 -17.149 -6.937 -22.056 1.00 0.16 H new ATOM 0 HG12 ILE A 92 -15.136 -5.616 -22.400 1.00 0.15 H new ATOM 0 HG13 ILE A 92 -16.293 -5.278 -23.672 1.00 0.15 H new ATOM 0 HG21 ILE A 92 -18.707 -5.473 -23.269 1.00 0.21 H new ATOM 0 HG22 ILE A 92 -19.323 -5.912 -21.658 1.00 0.21 H new ATOM 0 HG23 ILE A 92 -18.631 -4.296 -21.936 1.00 0.21 H new ATOM 0 HD11 ILE A 92 -15.218 -3.222 -22.896 1.00 0.16 H new ATOM 0 HD12 ILE A 92 -16.959 -3.192 -22.530 1.00 0.16 H new ATOM 0 HD13 ILE A 92 -15.785 -3.536 -21.238 1.00 0.16 H new