USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=14 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 -49:sc= 0.526 USER MOD Set 1.2: A 84 SER OG : rot 0:sc= -0.389 USER MOD Set 2.1: A 37 GLN : amide:sc= 0.14 K(o=-0.49,f=-1.5) USER MOD Set 2.2: A 54 HIS : no HD1:sc= -0.629 K(o=-0.49,f=-3.4) USER MOD Set 3.1: A 26 LYS NZ :NH3+ 162:sc= 2.31 (180deg=0.93) USER MOD Set 3.2: A 88 ASN : amide:sc= 0.0412 K(o=2.4,f=-8.2!) USER MOD Single : A 25 GLN : amide:sc= -1.64! C(o=-1.6!,f=-6.3!) 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 82:sc= 0.188 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0.245 X(o=0.25,f=0.00028) USER MOD Single : A 49 LYS NZ :NH3+ -122:sc= 0.117 (180deg=-0.0171) USER MOD Single : A 50 LYS NZ :NH3+ 167:sc= 2.45 (180deg=2.11) USER MOD Single : A 55 MET CE :methyl 165:sc= -0.744 (180deg=-1.27) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.349 X(o=-0.35,f=-0.19) USER MOD Single : A 61 ASN : amide:sc= 0 K(o=0,f=-0.56) 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=-0.00161 USER MOD Single : A 78 ASN : amide:sc= -1.36 K(o=-1.4,f=-4.5!) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0.655 (180deg=0.655) USER MOD ----------------------------------------------------------------- ATOM 348 N GLN A 25 -10.228 -0.051 -34.355 1.00 0.44 N ATOM 349 CA GLN A 25 -10.762 -1.394 -34.522 1.00 0.43 C ATOM 350 C GLN A 25 -10.874 -2.119 -33.183 1.00 0.37 C ATOM 351 O GLN A 25 -10.374 -3.237 -33.015 1.00 0.49 O ATOM 352 CB GLN A 25 -9.889 -2.190 -35.501 1.00 0.48 C ATOM 353 CG GLN A 25 -10.597 -3.380 -36.142 1.00 0.64 C ATOM 354 CD GLN A 25 -11.735 -2.979 -37.070 1.00 0.76 C ATOM 355 OE1 GLN A 25 -12.382 -1.952 -36.880 1.00 1.28 O ATOM 356 NE2 GLN A 25 -11.984 -3.790 -38.088 1.00 1.34 N ATOM 0 HA GLN A 25 -11.768 -1.312 -34.934 1.00 0.43 H new ATOM 0 HB2 GLN A 25 -9.542 -1.521 -36.288 1.00 0.48 H new ATOM 0 HB3 GLN A 25 -9.005 -2.548 -34.974 1.00 0.48 H new ATOM 0 HG2 GLN A 25 -9.870 -3.966 -36.704 1.00 0.64 H new ATOM 0 HG3 GLN A 25 -10.989 -4.026 -35.357 1.00 0.64 H new ATOM 0 HE21 GLN A 25 -11.427 -4.635 -38.215 1.00 1.34 H new ATOM 0 HE22 GLN A 25 -12.733 -3.570 -38.744 1.00 1.34 H new ATOM 365 N LYS A 26 -11.527 -1.479 -32.224 1.00 0.26 N ATOM 366 CA LYS A 26 -11.844 -2.139 -30.968 1.00 0.21 C ATOM 367 C LYS A 26 -13.056 -3.036 -31.161 1.00 0.24 C ATOM 368 O LYS A 26 -14.158 -2.562 -31.439 1.00 0.43 O ATOM 369 CB LYS A 26 -12.134 -1.141 -29.846 1.00 0.30 C ATOM 370 CG LYS A 26 -10.931 -0.353 -29.353 1.00 0.69 C ATOM 371 CD LYS A 26 -11.360 0.720 -28.362 1.00 1.08 C ATOM 372 CE LYS A 26 -10.254 1.061 -27.372 1.00 1.59 C ATOM 373 NZ LYS A 26 -10.048 -0.022 -26.374 1.00 2.11 N ATOM 0 H LYS A 26 -11.845 -0.512 -32.291 1.00 0.26 H new ATOM 0 HA LYS A 26 -10.972 -2.725 -30.676 1.00 0.21 H new ATOM 0 HB2 LYS A 26 -12.891 -0.438 -30.194 1.00 0.30 H new ATOM 0 HB3 LYS A 26 -12.564 -1.682 -29.003 1.00 0.30 H new ATOM 0 HG2 LYS A 26 -10.217 -1.027 -28.880 1.00 0.69 H new ATOM 0 HG3 LYS A 26 -10.421 0.109 -30.199 1.00 0.69 H new ATOM 0 HD2 LYS A 26 -11.650 1.620 -28.905 1.00 1.08 H new ATOM 0 HD3 LYS A 26 -12.241 0.379 -27.818 1.00 1.08 H new ATOM 0 HE2 LYS A 26 -9.324 1.237 -27.913 1.00 1.59 H new ATOM 0 HE3 LYS A 26 -10.503 1.988 -26.855 1.00 1.59 H new ATOM 0 HZ1 LYS A 26 -9.118 0.094 -25.923 1.00 2.11 H new ATOM 0 HZ2 LYS A 26 -10.793 0.027 -25.650 1.00 2.11 H new ATOM 0 HZ3 LYS A 26 -10.089 -0.946 -26.851 1.00 2.11 H new ATOM 387 N LYS A 27 -12.839 -4.328 -31.038 1.00 0.12 N ATOM 388 CA LYS A 27 -13.906 -5.298 -31.156 1.00 0.12 C ATOM 389 C LYS A 27 -14.372 -5.742 -29.781 1.00 0.13 C ATOM 390 O LYS A 27 -13.629 -5.651 -28.808 1.00 0.19 O ATOM 391 CB LYS A 27 -13.416 -6.503 -31.949 1.00 0.14 C ATOM 392 CG LYS A 27 -13.136 -6.209 -33.410 1.00 0.19 C ATOM 393 CD LYS A 27 -14.386 -5.759 -34.147 1.00 0.28 C ATOM 394 CE LYS A 27 -14.094 -5.552 -35.620 1.00 0.44 C ATOM 395 NZ LYS A 27 -15.282 -5.078 -36.372 1.00 1.27 N ATOM 0 H LYS A 27 -11.922 -4.734 -30.854 1.00 0.12 H new ATOM 0 HA LYS A 27 -14.745 -4.837 -31.677 1.00 0.12 H new ATOM 0 HB2 LYS A 27 -12.506 -6.884 -31.485 1.00 0.14 H new ATOM 0 HB3 LYS A 27 -14.162 -7.295 -31.885 1.00 0.14 H new ATOM 0 HG2 LYS A 27 -12.372 -5.435 -33.485 1.00 0.19 H new ATOM 0 HG3 LYS A 27 -12.733 -7.101 -33.889 1.00 0.19 H new ATOM 0 HD2 LYS A 27 -15.172 -6.504 -34.028 1.00 0.28 H new ATOM 0 HD3 LYS A 27 -14.757 -4.832 -33.711 1.00 0.28 H new ATOM 0 HE2 LYS A 27 -13.286 -4.828 -35.729 1.00 0.44 H new ATOM 0 HE3 LYS A 27 -13.743 -6.489 -36.053 1.00 0.44 H new ATOM 0 HZ1 LYS A 27 -15.031 -4.952 -37.373 1.00 1.27 H new ATOM 0 HZ2 LYS A 27 -16.046 -5.779 -36.292 1.00 1.27 H new ATOM 0 HZ3 LYS A 27 -15.603 -4.170 -35.978 1.00 1.27 H new ATOM 409 N ARG A 28 -15.600 -6.221 -29.702 1.00 0.10 N ATOM 410 CA ARG A 28 -16.125 -6.750 -28.456 1.00 0.12 C ATOM 411 C ARG A 28 -16.651 -8.158 -28.658 1.00 0.09 C ATOM 412 O ARG A 28 -17.440 -8.414 -29.572 1.00 0.15 O ATOM 413 CB ARG A 28 -17.216 -5.856 -27.874 1.00 0.19 C ATOM 414 CG ARG A 28 -16.667 -4.601 -27.227 1.00 0.29 C ATOM 415 CD ARG A 28 -17.702 -3.931 -26.345 1.00 0.29 C ATOM 416 NE ARG A 28 -18.841 -3.435 -27.123 1.00 0.74 N ATOM 417 CZ ARG A 28 -20.091 -3.341 -26.664 1.00 1.15 C ATOM 418 NH1 ARG A 28 -20.379 -3.683 -25.415 1.00 1.40 N ATOM 419 NH2 ARG A 28 -21.054 -2.888 -27.455 1.00 1.65 N ATOM 0 H ARG A 28 -16.252 -6.255 -30.485 1.00 0.10 H new ATOM 0 HA ARG A 28 -15.303 -6.776 -27.740 1.00 0.12 H new ATOM 0 HB2 ARG A 28 -17.910 -5.576 -28.666 1.00 0.19 H new ATOM 0 HB3 ARG A 28 -17.785 -6.420 -27.135 1.00 0.19 H new ATOM 0 HG2 ARG A 28 -15.788 -4.852 -26.632 1.00 0.29 H new ATOM 0 HG3 ARG A 28 -16.341 -3.905 -28.000 1.00 0.29 H new ATOM 0 HD2 ARG A 28 -18.055 -4.640 -25.596 1.00 0.29 H new ATOM 0 HD3 ARG A 28 -17.240 -3.103 -25.808 1.00 0.29 H new ATOM 0 HE ARG A 28 -18.666 -3.141 -28.084 1.00 0.74 H new ATOM 0 HH11 ARG A 28 -19.642 -4.021 -24.796 1.00 1.40 H new ATOM 0 HH12 ARG A 28 -21.337 -3.608 -25.074 1.00 1.40 H new ATOM 0 HH21 ARG A 28 -20.839 -2.612 -28.413 1.00 1.65 H new ATOM 0 HH22 ARG A 28 -22.009 -2.816 -27.105 1.00 1.65 H new ATOM 433 N ALA A 29 -16.201 -9.061 -27.806 1.00 0.08 N ATOM 434 CA ALA A 29 -16.592 -10.459 -27.866 1.00 0.07 C ATOM 435 C ALA A 29 -16.378 -11.102 -26.511 1.00 0.06 C ATOM 436 O ALA A 29 -15.931 -10.447 -25.568 1.00 0.08 O ATOM 437 CB ALA A 29 -15.810 -11.210 -28.943 1.00 0.08 C ATOM 0 H ALA A 29 -15.551 -8.845 -27.050 1.00 0.08 H new ATOM 0 HA ALA A 29 -17.648 -10.512 -28.130 1.00 0.07 H new ATOM 0 HB1 ALA A 29 -16.126 -12.253 -28.962 1.00 0.08 H new ATOM 0 HB2 ALA A 29 -16.001 -10.755 -29.915 1.00 0.08 H new ATOM 0 HB3 ALA A 29 -14.744 -11.158 -28.721 1.00 0.08 H new ATOM 443 N THR A 30 -16.700 -12.368 -26.410 1.00 0.06 N ATOM 444 CA THR A 30 -16.591 -13.074 -25.157 1.00 0.06 C ATOM 445 C THR A 30 -15.365 -13.976 -25.182 1.00 0.06 C ATOM 446 O THR A 30 -15.020 -14.529 -26.231 1.00 0.08 O ATOM 447 CB THR A 30 -17.848 -13.920 -24.916 1.00 0.08 C ATOM 448 OG1 THR A 30 -18.923 -13.417 -25.724 1.00 0.14 O ATOM 449 CG2 THR A 30 -18.251 -13.871 -23.456 1.00 0.11 C ATOM 0 H THR A 30 -17.042 -12.934 -27.186 1.00 0.06 H new ATOM 0 HA THR A 30 -16.492 -12.348 -24.350 1.00 0.06 H new ATOM 0 HB THR A 30 -17.632 -14.954 -25.186 1.00 0.08 H new ATOM 0 HG1 THR A 30 -19.726 -13.957 -25.573 1.00 0.14 H new ATOM 0 HG21 THR A 30 -19.144 -14.477 -23.305 1.00 0.11 H new ATOM 0 HG22 THR A 30 -17.440 -14.261 -22.841 1.00 0.11 H new ATOM 0 HG23 THR A 30 -18.459 -12.840 -23.170 1.00 0.11 H new ATOM 457 N VAL A 31 -14.688 -14.100 -24.049 1.00 0.08 N ATOM 458 CA VAL A 31 -13.545 -14.993 -23.951 1.00 0.10 C ATOM 459 C VAL A 31 -13.986 -16.429 -24.166 1.00 0.11 C ATOM 460 O VAL A 31 -14.803 -16.965 -23.418 1.00 0.14 O ATOM 461 CB VAL A 31 -12.835 -14.891 -22.590 1.00 0.11 C ATOM 462 CG1 VAL A 31 -11.583 -15.757 -22.571 1.00 0.14 C ATOM 463 CG2 VAL A 31 -12.493 -13.450 -22.262 1.00 0.13 C ATOM 0 H VAL A 31 -14.910 -13.596 -23.190 1.00 0.08 H new ATOM 0 HA VAL A 31 -12.840 -14.689 -24.725 1.00 0.10 H new ATOM 0 HB VAL A 31 -13.519 -15.258 -21.825 1.00 0.11 H new ATOM 0 HG11 VAL A 31 -11.096 -15.671 -21.600 1.00 0.14 H new ATOM 0 HG12 VAL A 31 -11.857 -16.797 -22.748 1.00 0.14 H new ATOM 0 HG13 VAL A 31 -10.899 -15.424 -23.351 1.00 0.14 H new ATOM 0 HG21 VAL A 31 -11.992 -13.406 -21.295 1.00 0.13 H new ATOM 0 HG22 VAL A 31 -11.833 -13.049 -23.031 1.00 0.13 H new ATOM 0 HG23 VAL A 31 -13.408 -12.859 -22.224 1.00 0.13 H new ATOM 473 N ASP A 32 -13.431 -17.031 -25.188 1.00 0.12 N ATOM 474 CA ASP A 32 -13.748 -18.394 -25.555 1.00 0.15 C ATOM 475 C ASP A 32 -13.039 -19.357 -24.604 1.00 0.15 C ATOM 476 O ASP A 32 -13.642 -20.298 -24.090 1.00 0.19 O ATOM 477 CB ASP A 32 -13.312 -18.624 -27.005 1.00 0.21 C ATOM 478 CG ASP A 32 -13.653 -20.002 -27.540 1.00 0.34 C ATOM 479 OD1 ASP A 32 -12.989 -20.980 -27.144 1.00 0.46 O ATOM 480 OD2 ASP A 32 -14.562 -20.096 -28.402 1.00 0.60 O ATOM 0 H ASP A 32 -12.741 -16.588 -25.795 1.00 0.12 H new ATOM 0 HA ASP A 32 -14.820 -18.573 -25.477 1.00 0.15 H new ATOM 0 HB2 ASP A 32 -13.783 -17.873 -27.639 1.00 0.21 H new ATOM 0 HB3 ASP A 32 -12.235 -18.473 -27.078 1.00 0.21 H new ATOM 485 N SER A 33 -11.760 -19.073 -24.342 1.00 0.14 N ATOM 486 CA SER A 33 -10.930 -19.903 -23.471 1.00 0.18 C ATOM 487 C SER A 33 -9.714 -19.116 -22.994 1.00 0.13 C ATOM 488 O SER A 33 -9.394 -18.061 -23.539 1.00 0.14 O ATOM 489 CB SER A 33 -10.454 -21.165 -24.204 1.00 0.27 C ATOM 490 OG SER A 33 -11.535 -21.987 -24.616 1.00 1.07 O ATOM 0 H SER A 33 -11.274 -18.263 -24.727 1.00 0.14 H new ATOM 0 HA SER A 33 -11.537 -20.198 -22.615 1.00 0.18 H new ATOM 0 HB2 SER A 33 -9.867 -20.877 -25.076 1.00 0.27 H new ATOM 0 HB3 SER A 33 -9.795 -21.736 -23.550 1.00 0.27 H new ATOM 0 HG SER A 33 -11.907 -21.642 -25.454 1.00 1.07 H new ATOM 496 N ILE A 34 -9.053 -19.622 -21.965 1.00 0.16 N ATOM 497 CA ILE A 34 -7.817 -19.031 -21.474 1.00 0.14 C ATOM 498 C ILE A 34 -6.844 -20.128 -21.059 1.00 0.16 C ATOM 499 O ILE A 34 -7.205 -21.057 -20.338 1.00 0.19 O ATOM 500 CB ILE A 34 -8.076 -18.043 -20.307 1.00 0.16 C ATOM 501 CG1 ILE A 34 -8.385 -16.648 -20.864 1.00 0.14 C ATOM 502 CG2 ILE A 34 -6.891 -17.986 -19.349 1.00 0.19 C ATOM 503 CD1 ILE A 34 -8.754 -15.624 -19.810 1.00 0.17 C ATOM 0 H ILE A 34 -9.355 -20.448 -21.449 1.00 0.16 H new ATOM 0 HA ILE A 34 -7.371 -18.454 -22.285 1.00 0.14 H new ATOM 0 HB ILE A 34 -8.936 -18.402 -19.742 1.00 0.16 H new ATOM 0 HG12 ILE A 34 -7.516 -16.289 -21.415 1.00 0.14 H new ATOM 0 HG13 ILE A 34 -9.204 -16.728 -21.579 1.00 0.14 H new ATOM 0 HG21 ILE A 34 -7.107 -17.284 -18.544 1.00 0.19 H new ATOM 0 HG22 ILE A 34 -6.715 -18.976 -18.929 1.00 0.19 H new ATOM 0 HG23 ILE A 34 -6.003 -17.657 -19.888 1.00 0.19 H new ATOM 0 HD11 ILE A 34 -8.957 -14.666 -20.289 1.00 0.17 H new ATOM 0 HD12 ILE A 34 -9.643 -15.957 -19.274 1.00 0.17 H new ATOM 0 HD13 ILE A 34 -7.928 -15.511 -19.108 1.00 0.17 H new ATOM 515 N LYS A 35 -5.618 -20.016 -21.546 1.00 0.17 N ATOM 516 CA LYS A 35 -4.579 -21.003 -21.310 1.00 0.21 C ATOM 517 C LYS A 35 -3.341 -20.342 -20.717 1.00 0.20 C ATOM 518 O LYS A 35 -2.590 -19.676 -21.429 1.00 0.22 O ATOM 519 CB LYS A 35 -4.202 -21.699 -22.623 1.00 0.24 C ATOM 520 CG LYS A 35 -5.334 -22.514 -23.219 1.00 0.34 C ATOM 521 CD LYS A 35 -5.733 -23.652 -22.295 1.00 0.47 C ATOM 522 CE LYS A 35 -7.111 -24.180 -22.634 1.00 0.64 C ATOM 523 NZ LYS A 35 -7.550 -25.231 -21.678 1.00 1.56 N ATOM 0 H LYS A 35 -5.315 -19.230 -22.121 1.00 0.17 H new ATOM 0 HA LYS A 35 -4.963 -21.741 -20.605 1.00 0.21 H new ATOM 0 HB2 LYS A 35 -3.885 -20.947 -23.346 1.00 0.24 H new ATOM 0 HB3 LYS A 35 -3.347 -22.352 -22.447 1.00 0.24 H new ATOM 0 HG2 LYS A 35 -6.194 -21.870 -23.400 1.00 0.34 H new ATOM 0 HG3 LYS A 35 -5.028 -22.916 -24.185 1.00 0.34 H new ATOM 0 HD2 LYS A 35 -5.003 -24.458 -22.372 1.00 0.47 H new ATOM 0 HD3 LYS A 35 -5.718 -23.306 -21.261 1.00 0.47 H new ATOM 0 HE2 LYS A 35 -7.827 -23.358 -22.625 1.00 0.64 H new ATOM 0 HE3 LYS A 35 -7.106 -24.587 -23.645 1.00 0.64 H new ATOM 0 HZ1 LYS A 35 -8.498 -25.568 -21.943 1.00 1.56 H new ATOM 0 HZ2 LYS A 35 -6.880 -26.026 -21.705 1.00 1.56 H new ATOM 0 HZ3 LYS A 35 -7.580 -24.835 -20.717 1.00 1.56 H new ATOM 537 N GLY A 36 -3.141 -20.522 -19.418 1.00 0.25 N ATOM 538 CA GLY A 36 -1.989 -19.943 -18.751 1.00 0.28 C ATOM 539 C GLY A 36 -1.972 -18.430 -18.831 1.00 0.24 C ATOM 540 O GLY A 36 -2.782 -17.756 -18.194 1.00 0.29 O ATOM 0 H GLY A 36 -3.759 -21.061 -18.811 1.00 0.25 H new ATOM 0 HA2 GLY A 36 -1.988 -20.248 -17.705 1.00 0.28 H new ATOM 0 HA3 GLY A 36 -1.077 -20.338 -19.199 1.00 0.28 H new ATOM 544 N GLN A 37 -1.055 -17.898 -19.629 1.00 0.21 N ATOM 545 CA GLN A 37 -0.904 -16.455 -19.776 1.00 0.20 C ATOM 546 C GLN A 37 -1.566 -15.974 -21.054 1.00 0.17 C ATOM 547 O GLN A 37 -1.394 -14.826 -21.449 1.00 0.21 O ATOM 548 CB GLN A 37 0.578 -16.069 -19.804 1.00 0.24 C ATOM 549 CG GLN A 37 1.377 -16.623 -18.639 1.00 0.36 C ATOM 550 CD GLN A 37 2.852 -16.282 -18.711 1.00 1.27 C ATOM 551 OE1 GLN A 37 3.242 -15.264 -19.279 1.00 2.10 O ATOM 552 NE2 GLN A 37 3.680 -17.128 -18.119 1.00 1.94 N ATOM 0 H GLN A 37 -0.401 -18.447 -20.187 1.00 0.21 H new ATOM 0 HA GLN A 37 -1.386 -15.981 -18.921 1.00 0.20 H new ATOM 0 HB2 GLN A 37 1.019 -16.423 -20.736 1.00 0.24 H new ATOM 0 HB3 GLN A 37 0.661 -14.982 -19.805 1.00 0.24 H new ATOM 0 HG2 GLN A 37 0.966 -16.234 -17.707 1.00 0.36 H new ATOM 0 HG3 GLN A 37 1.262 -17.707 -18.611 1.00 0.36 H new ATOM 0 HE21 GLN A 37 3.314 -17.962 -17.659 1.00 1.94 H new ATOM 0 HE22 GLN A 37 4.684 -16.946 -18.123 1.00 1.94 H new ATOM 561 N PHE A 38 -2.333 -16.840 -21.697 1.00 0.13 N ATOM 562 CA PHE A 38 -2.892 -16.512 -22.992 1.00 0.11 C ATOM 563 C PHE A 38 -4.377 -16.759 -23.017 1.00 0.10 C ATOM 564 O PHE A 38 -4.868 -17.729 -22.452 1.00 0.12 O ATOM 565 CB PHE A 38 -2.191 -17.302 -24.094 1.00 0.13 C ATOM 566 CG PHE A 38 -0.731 -16.987 -24.158 1.00 0.18 C ATOM 567 CD1 PHE A 38 -0.267 -15.972 -24.972 1.00 0.21 C ATOM 568 CD2 PHE A 38 0.170 -17.670 -23.360 1.00 0.23 C ATOM 569 CE1 PHE A 38 1.072 -15.643 -24.991 1.00 0.28 C ATOM 570 CE2 PHE A 38 1.509 -17.354 -23.382 1.00 0.29 C ATOM 571 CZ PHE A 38 1.958 -16.336 -24.191 1.00 0.32 C ATOM 0 H PHE A 38 -2.579 -17.765 -21.345 1.00 0.13 H new ATOM 0 HA PHE A 38 -2.727 -15.450 -23.174 1.00 0.11 H new ATOM 0 HB2 PHE A 38 -2.325 -18.369 -23.918 1.00 0.13 H new ATOM 0 HB3 PHE A 38 -2.654 -17.076 -25.054 1.00 0.13 H new ATOM 0 HD1 PHE A 38 -0.960 -15.431 -25.600 1.00 0.21 H new ATOM 0 HD2 PHE A 38 -0.182 -18.460 -22.713 1.00 0.23 H new ATOM 0 HE1 PHE A 38 1.426 -14.847 -25.629 1.00 0.28 H new ATOM 0 HE2 PHE A 38 2.205 -17.904 -22.766 1.00 0.29 H new ATOM 0 HZ PHE A 38 3.007 -16.078 -24.200 1.00 0.32 H new ATOM 581 N GLY A 39 -5.084 -15.871 -23.664 1.00 0.09 N ATOM 582 CA GLY A 39 -6.508 -15.997 -23.755 1.00 0.09 C ATOM 583 C GLY A 39 -6.965 -16.031 -25.183 1.00 0.09 C ATOM 584 O GLY A 39 -6.258 -15.574 -26.077 1.00 0.11 O ATOM 0 H GLY A 39 -4.694 -15.054 -24.134 1.00 0.09 H new ATOM 0 HA2 GLY A 39 -6.827 -16.907 -23.248 1.00 0.09 H new ATOM 0 HA3 GLY A 39 -6.982 -15.162 -23.240 1.00 0.09 H new ATOM 588 N PHE A 40 -8.131 -16.589 -25.399 1.00 0.09 N ATOM 589 CA PHE A 40 -8.702 -16.670 -26.722 1.00 0.10 C ATOM 590 C PHE A 40 -10.143 -16.211 -26.670 1.00 0.10 C ATOM 591 O PHE A 40 -10.876 -16.558 -25.746 1.00 0.18 O ATOM 592 CB PHE A 40 -8.627 -18.105 -27.256 1.00 0.12 C ATOM 593 CG PHE A 40 -7.232 -18.659 -27.324 1.00 0.12 C ATOM 594 CD1 PHE A 40 -6.651 -19.248 -26.211 1.00 0.14 C ATOM 595 CD2 PHE A 40 -6.501 -18.590 -28.500 1.00 0.13 C ATOM 596 CE1 PHE A 40 -5.367 -19.756 -26.268 1.00 0.16 C ATOM 597 CE2 PHE A 40 -5.217 -19.098 -28.562 1.00 0.16 C ATOM 598 CZ PHE A 40 -4.649 -19.680 -27.447 1.00 0.17 C ATOM 0 H PHE A 40 -8.710 -16.999 -24.666 1.00 0.09 H new ATOM 0 HA PHE A 40 -8.135 -16.026 -27.395 1.00 0.10 H new ATOM 0 HB2 PHE A 40 -9.233 -18.751 -26.620 1.00 0.12 H new ATOM 0 HB3 PHE A 40 -9.068 -18.135 -28.252 1.00 0.12 H new ATOM 0 HD1 PHE A 40 -7.209 -19.310 -25.288 1.00 0.14 H new ATOM 0 HD2 PHE A 40 -6.939 -18.135 -29.376 1.00 0.13 H new ATOM 0 HE1 PHE A 40 -4.926 -20.211 -25.394 1.00 0.16 H new ATOM 0 HE2 PHE A 40 -4.658 -19.039 -29.484 1.00 0.16 H new ATOM 0 HZ PHE A 40 -3.645 -20.075 -27.495 1.00 0.17 H new ATOM 608 N LEU A 41 -10.544 -15.432 -27.649 1.00 0.10 N ATOM 609 CA LEU A 41 -11.888 -14.890 -27.681 1.00 0.09 C ATOM 610 C LEU A 41 -12.672 -15.540 -28.792 1.00 0.09 C ATOM 611 O LEU A 41 -12.085 -16.022 -29.761 1.00 0.13 O ATOM 612 CB LEU A 41 -11.842 -13.380 -27.886 1.00 0.09 C ATOM 613 CG LEU A 41 -10.766 -12.677 -27.074 1.00 0.15 C ATOM 614 CD1 LEU A 41 -10.460 -11.314 -27.650 1.00 0.59 C ATOM 615 CD2 LEU A 41 -11.206 -12.565 -25.632 1.00 0.53 C ATOM 0 H LEU A 41 -9.958 -15.157 -28.437 1.00 0.10 H new ATOM 0 HA LEU A 41 -12.378 -15.097 -26.730 1.00 0.09 H new ATOM 0 HB2 LEU A 41 -11.678 -13.172 -28.943 1.00 0.09 H new ATOM 0 HB3 LEU A 41 -12.813 -12.959 -27.625 1.00 0.09 H new ATOM 0 HG LEU A 41 -9.851 -13.267 -27.118 1.00 0.15 H new ATOM 0 HD11 LEU A 41 -9.687 -10.831 -27.052 1.00 0.59 H new ATOM 0 HD12 LEU A 41 -10.109 -11.423 -28.676 1.00 0.59 H new ATOM 0 HD13 LEU A 41 -11.363 -10.703 -27.638 1.00 0.59 H new ATOM 0 HD21 LEU A 41 -10.432 -12.061 -25.054 1.00 0.53 H new ATOM 0 HD22 LEU A 41 -12.131 -11.992 -25.577 1.00 0.53 H new ATOM 0 HD23 LEU A 41 -11.372 -13.562 -25.224 1.00 0.53 H new ATOM 627 N ASN A 42 -13.987 -15.569 -28.655 1.00 0.11 N ATOM 628 CA ASN A 42 -14.832 -16.163 -29.677 1.00 0.15 C ATOM 629 C ASN A 42 -14.916 -15.227 -30.877 1.00 0.14 C ATOM 630 O ASN A 42 -15.923 -14.556 -31.102 1.00 0.17 O ATOM 631 CB ASN A 42 -16.226 -16.478 -29.120 1.00 0.22 C ATOM 632 CG ASN A 42 -17.041 -17.373 -30.037 1.00 0.79 C ATOM 633 OD1 ASN A 42 -17.806 -16.898 -30.879 1.00 1.53 O ATOM 634 ND2 ASN A 42 -16.882 -18.678 -29.879 1.00 1.37 N ATOM 0 H ASN A 42 -14.490 -15.191 -27.852 1.00 0.11 H new ATOM 0 HA ASN A 42 -14.391 -17.106 -29.999 1.00 0.15 H new ATOM 0 HB2 ASN A 42 -16.123 -16.960 -28.148 1.00 0.22 H new ATOM 0 HB3 ASN A 42 -16.766 -15.545 -28.957 1.00 0.22 H new ATOM 0 HD21 ASN A 42 -17.403 -19.330 -30.466 1.00 1.37 H new ATOM 0 HD22 ASN A 42 -16.239 -19.031 -29.171 1.00 1.37 H new ATOM 641 N PHE A 43 -13.818 -15.169 -31.615 1.00 0.12 N ATOM 642 CA PHE A 43 -13.712 -14.351 -32.805 1.00 0.13 C ATOM 643 C PHE A 43 -12.780 -15.042 -33.790 1.00 0.16 C ATOM 644 O PHE A 43 -11.557 -14.967 -33.665 1.00 0.18 O ATOM 645 CB PHE A 43 -13.179 -12.956 -32.449 1.00 0.12 C ATOM 646 CG PHE A 43 -13.341 -11.942 -33.554 1.00 0.16 C ATOM 647 CD1 PHE A 43 -14.402 -11.045 -33.541 1.00 0.21 C ATOM 648 CD2 PHE A 43 -12.437 -11.880 -34.605 1.00 0.22 C ATOM 649 CE1 PHE A 43 -14.553 -10.113 -34.551 1.00 0.27 C ATOM 650 CE2 PHE A 43 -12.585 -10.949 -35.616 1.00 0.27 C ATOM 651 CZ PHE A 43 -13.643 -10.066 -35.589 1.00 0.28 C ATOM 0 H PHE A 43 -12.970 -15.694 -31.400 1.00 0.12 H new ATOM 0 HA PHE A 43 -14.696 -14.228 -33.257 1.00 0.13 H new ATOM 0 HB2 PHE A 43 -13.696 -12.596 -31.560 1.00 0.12 H new ATOM 0 HB3 PHE A 43 -12.122 -13.035 -32.193 1.00 0.12 H new ATOM 0 HD1 PHE A 43 -15.117 -11.076 -32.732 1.00 0.21 H new ATOM 0 HD2 PHE A 43 -11.606 -12.569 -34.633 1.00 0.22 H new ATOM 0 HE1 PHE A 43 -15.382 -9.422 -34.528 1.00 0.27 H new ATOM 0 HE2 PHE A 43 -11.872 -10.914 -36.427 1.00 0.27 H new ATOM 0 HZ PHE A 43 -13.760 -9.338 -36.378 1.00 0.28 H new ATOM 661 N GLU A 44 -13.368 -15.751 -34.733 1.00 0.23 N ATOM 662 CA GLU A 44 -12.611 -16.488 -35.731 1.00 0.30 C ATOM 663 C GLU A 44 -12.258 -15.572 -36.898 1.00 0.29 C ATOM 664 O GLU A 44 -13.130 -15.160 -37.663 1.00 0.39 O ATOM 665 CB GLU A 44 -13.416 -17.699 -36.206 1.00 0.44 C ATOM 666 CG GLU A 44 -13.674 -18.740 -35.114 1.00 0.60 C ATOM 667 CD GLU A 44 -14.614 -18.266 -34.022 1.00 1.14 C ATOM 668 OE1 GLU A 44 -14.360 -18.578 -32.839 1.00 1.81 O ATOM 669 OE2 GLU A 44 -15.599 -17.568 -34.340 1.00 1.57 O ATOM 0 H GLU A 44 -14.380 -15.834 -34.831 1.00 0.23 H new ATOM 0 HA GLU A 44 -11.682 -16.848 -35.288 1.00 0.30 H new ATOM 0 HB2 GLU A 44 -14.373 -17.355 -36.600 1.00 0.44 H new ATOM 0 HB3 GLU A 44 -12.885 -18.175 -37.030 1.00 0.44 H new ATOM 0 HG2 GLU A 44 -14.089 -19.638 -35.572 1.00 0.60 H new ATOM 0 HG3 GLU A 44 -12.723 -19.023 -34.663 1.00 0.60 H new ATOM 676 N VAL A 45 -10.975 -15.245 -37.016 1.00 0.30 N ATOM 677 CA VAL A 45 -10.516 -14.283 -38.015 1.00 0.38 C ATOM 678 C VAL A 45 -10.417 -14.906 -39.408 1.00 0.45 C ATOM 679 O VAL A 45 -10.716 -14.253 -40.407 1.00 0.58 O ATOM 680 CB VAL A 45 -9.155 -13.658 -37.616 1.00 0.44 C ATOM 681 CG1 VAL A 45 -9.305 -12.836 -36.348 1.00 0.85 C ATOM 682 CG2 VAL A 45 -8.084 -14.719 -37.430 1.00 0.71 C ATOM 0 H VAL A 45 -10.233 -15.632 -36.432 1.00 0.30 H new ATOM 0 HA VAL A 45 -11.266 -13.493 -38.051 1.00 0.38 H new ATOM 0 HB VAL A 45 -8.839 -13.006 -38.430 1.00 0.44 H new ATOM 0 HG11 VAL A 45 -8.342 -12.403 -36.079 1.00 0.85 H new ATOM 0 HG12 VAL A 45 -10.028 -12.038 -36.515 1.00 0.85 H new ATOM 0 HG13 VAL A 45 -9.653 -13.477 -35.538 1.00 0.85 H new ATOM 0 HG21 VAL A 45 -7.144 -14.242 -37.151 1.00 0.71 H new ATOM 0 HG22 VAL A 45 -8.388 -15.409 -36.643 1.00 0.71 H new ATOM 0 HG23 VAL A 45 -7.950 -15.268 -38.362 1.00 0.71 H new ATOM 692 N GLU A 46 -10.010 -16.167 -39.465 1.00 0.51 N ATOM 693 CA GLU A 46 -9.821 -16.856 -40.726 1.00 0.61 C ATOM 694 C GLU A 46 -9.928 -18.366 -40.531 1.00 0.62 C ATOM 695 O GLU A 46 -9.221 -18.926 -39.704 1.00 0.97 O ATOM 696 CB GLU A 46 -8.445 -16.503 -41.291 1.00 0.75 C ATOM 697 CG GLU A 46 -7.847 -17.606 -42.137 1.00 0.88 C ATOM 698 CD GLU A 46 -6.446 -17.296 -42.613 1.00 1.35 C ATOM 699 OE1 GLU A 46 -5.485 -17.576 -41.866 1.00 2.24 O ATOM 700 OE2 GLU A 46 -6.299 -16.792 -43.748 1.00 1.57 O ATOM 0 H GLU A 46 -9.804 -16.734 -38.643 1.00 0.51 H new ATOM 0 HA GLU A 46 -10.598 -16.542 -41.423 1.00 0.61 H new ATOM 0 HB2 GLU A 46 -8.528 -15.597 -41.892 1.00 0.75 H new ATOM 0 HB3 GLU A 46 -7.768 -16.278 -40.467 1.00 0.75 H new ATOM 0 HG2 GLU A 46 -7.832 -18.531 -41.560 1.00 0.88 H new ATOM 0 HG3 GLU A 46 -8.488 -17.780 -43.001 1.00 0.88 H new ATOM 707 N ASP A 47 -10.840 -19.009 -41.259 1.00 0.85 N ATOM 708 CA ASP A 47 -10.926 -20.482 -41.291 1.00 0.84 C ATOM 709 C ASP A 47 -11.213 -21.071 -39.902 1.00 0.83 C ATOM 710 O ASP A 47 -11.147 -22.279 -39.688 1.00 1.18 O ATOM 711 CB ASP A 47 -9.621 -21.055 -41.886 1.00 0.90 C ATOM 712 CG ASP A 47 -9.587 -22.572 -41.969 1.00 1.18 C ATOM 713 OD1 ASP A 47 -10.232 -23.140 -42.880 1.00 1.30 O ATOM 714 OD2 ASP A 47 -8.897 -23.201 -41.137 1.00 1.55 O ATOM 0 H ASP A 47 -11.535 -18.538 -41.839 1.00 0.85 H new ATOM 0 HA ASP A 47 -11.766 -20.767 -41.925 1.00 0.84 H new ATOM 0 HB2 ASP A 47 -9.480 -20.644 -42.886 1.00 0.90 H new ATOM 0 HB3 ASP A 47 -8.780 -20.717 -41.281 1.00 0.90 H new ATOM 719 N GLY A 48 -11.596 -20.212 -38.977 1.00 0.65 N ATOM 720 CA GLY A 48 -11.814 -20.646 -37.610 1.00 0.67 C ATOM 721 C GLY A 48 -10.644 -20.327 -36.692 1.00 0.58 C ATOM 722 O GLY A 48 -10.492 -20.938 -35.636 1.00 0.66 O ATOM 0 H GLY A 48 -11.761 -19.219 -39.144 1.00 0.65 H new ATOM 0 HA2 GLY A 48 -12.714 -20.169 -37.222 1.00 0.67 H new ATOM 0 HA3 GLY A 48 -11.994 -21.721 -37.600 1.00 0.67 H new ATOM 726 N LYS A 49 -9.817 -19.364 -37.090 1.00 0.48 N ATOM 727 CA LYS A 49 -8.693 -18.937 -36.267 1.00 0.44 C ATOM 728 C LYS A 49 -9.201 -18.211 -35.038 1.00 0.36 C ATOM 729 O LYS A 49 -9.734 -17.106 -35.145 1.00 0.35 O ATOM 730 CB LYS A 49 -7.763 -18.007 -37.037 1.00 0.50 C ATOM 731 CG LYS A 49 -6.837 -18.705 -38.018 1.00 0.71 C ATOM 732 CD LYS A 49 -5.382 -18.445 -37.670 1.00 0.93 C ATOM 733 CE LYS A 49 -4.520 -18.331 -38.917 1.00 1.41 C ATOM 734 NZ LYS A 49 -4.552 -19.567 -39.743 1.00 2.50 N ATOM 0 H LYS A 49 -9.905 -18.866 -37.976 1.00 0.48 H new ATOM 0 HA LYS A 49 -8.137 -19.829 -35.977 1.00 0.44 H new ATOM 0 HB2 LYS A 49 -8.367 -17.281 -37.582 1.00 0.50 H new ATOM 0 HB3 LYS A 49 -7.159 -17.447 -36.323 1.00 0.50 H new ATOM 0 HG2 LYS A 49 -7.031 -19.777 -38.007 1.00 0.71 H new ATOM 0 HG3 LYS A 49 -7.041 -18.354 -39.030 1.00 0.71 H new ATOM 0 HD2 LYS A 49 -5.305 -17.526 -37.089 1.00 0.93 H new ATOM 0 HD3 LYS A 49 -5.008 -19.253 -37.041 1.00 0.93 H new ATOM 0 HE2 LYS A 49 -4.863 -17.488 -39.516 1.00 1.41 H new ATOM 0 HE3 LYS A 49 -3.491 -18.118 -38.626 1.00 1.41 H new ATOM 0 HZ1 LYS A 49 -3.586 -19.935 -39.855 1.00 2.50 H new ATOM 0 HZ2 LYS A 49 -5.142 -20.283 -39.274 1.00 2.50 H new ATOM 0 HZ3 LYS A 49 -4.950 -19.349 -40.679 1.00 2.50 H new ATOM 748 N LYS A 50 -9.038 -18.829 -33.887 1.00 0.37 N ATOM 749 CA LYS A 50 -9.480 -18.234 -32.642 1.00 0.32 C ATOM 750 C LYS A 50 -8.569 -17.068 -32.279 1.00 0.27 C ATOM 751 O LYS A 50 -7.344 -17.203 -32.304 1.00 0.36 O ATOM 752 CB LYS A 50 -9.470 -19.282 -31.527 1.00 0.41 C ATOM 753 CG LYS A 50 -10.334 -18.909 -30.336 1.00 0.47 C ATOM 754 CD LYS A 50 -11.812 -18.930 -30.694 1.00 0.47 C ATOM 755 CE LYS A 50 -12.326 -20.343 -30.915 1.00 0.69 C ATOM 756 NZ LYS A 50 -13.808 -20.373 -30.986 1.00 1.32 N ATOM 0 H LYS A 50 -8.602 -19.745 -33.787 1.00 0.37 H new ATOM 0 HA LYS A 50 -10.498 -17.864 -32.763 1.00 0.32 H new ATOM 0 HB2 LYS A 50 -9.814 -20.234 -31.931 1.00 0.41 H new ATOM 0 HB3 LYS A 50 -8.445 -19.431 -31.189 1.00 0.41 H new ATOM 0 HG2 LYS A 50 -10.147 -19.603 -29.517 1.00 0.47 H new ATOM 0 HG3 LYS A 50 -10.058 -17.916 -29.981 1.00 0.47 H new ATOM 0 HD2 LYS A 50 -12.385 -18.457 -29.896 1.00 0.47 H new ATOM 0 HD3 LYS A 50 -11.975 -18.340 -31.596 1.00 0.47 H new ATOM 0 HE2 LYS A 50 -11.907 -20.744 -31.838 1.00 0.69 H new ATOM 0 HE3 LYS A 50 -11.986 -20.987 -30.104 1.00 0.69 H new ATOM 0 HZ1 LYS A 50 -14.119 -21.295 -31.352 1.00 1.32 H new ATOM 0 HZ2 LYS A 50 -14.204 -20.226 -30.036 1.00 1.32 H new ATOM 0 HZ3 LYS A 50 -14.141 -19.619 -31.620 1.00 1.32 H new ATOM 770 N LEU A 51 -9.163 -15.923 -31.977 1.00 0.19 N ATOM 771 CA LEU A 51 -8.393 -14.744 -31.611 1.00 0.13 C ATOM 772 C LEU A 51 -7.678 -14.951 -30.285 1.00 0.12 C ATOM 773 O LEU A 51 -8.316 -15.234 -29.274 1.00 0.16 O ATOM 774 CB LEU A 51 -9.287 -13.511 -31.506 1.00 0.13 C ATOM 775 CG LEU A 51 -9.047 -12.440 -32.576 1.00 0.13 C ATOM 776 CD1 LEU A 51 -9.861 -11.195 -32.283 1.00 0.19 C ATOM 777 CD2 LEU A 51 -7.572 -12.091 -32.665 1.00 0.16 C ATOM 0 H LEU A 51 -10.174 -15.785 -31.978 1.00 0.19 H new ATOM 0 HA LEU A 51 -7.656 -14.585 -32.399 1.00 0.13 H new ATOM 0 HB2 LEU A 51 -10.328 -13.830 -31.561 1.00 0.13 H new ATOM 0 HB3 LEU A 51 -9.143 -13.060 -30.524 1.00 0.13 H new ATOM 0 HG LEU A 51 -9.367 -12.846 -33.536 1.00 0.13 H new ATOM 0 HD11 LEU A 51 -9.675 -10.449 -33.055 1.00 0.19 H new ATOM 0 HD12 LEU A 51 -10.921 -11.448 -32.271 1.00 0.19 H new ATOM 0 HD13 LEU A 51 -9.573 -10.792 -31.312 1.00 0.19 H new ATOM 0 HD21 LEU A 51 -7.424 -11.329 -33.430 1.00 0.16 H new ATOM 0 HD22 LEU A 51 -7.230 -11.710 -31.703 1.00 0.16 H new ATOM 0 HD23 LEU A 51 -7.002 -12.983 -32.926 1.00 0.16 H new ATOM 789 N PHE A 52 -6.362 -14.797 -30.292 1.00 0.12 N ATOM 790 CA PHE A 52 -5.577 -14.972 -29.082 1.00 0.11 C ATOM 791 C PHE A 52 -5.128 -13.624 -28.533 1.00 0.10 C ATOM 792 O PHE A 52 -5.083 -12.623 -29.258 1.00 0.12 O ATOM 793 CB PHE A 52 -4.351 -15.861 -29.348 1.00 0.14 C ATOM 794 CG PHE A 52 -3.201 -15.152 -30.005 1.00 0.20 C ATOM 795 CD1 PHE A 52 -3.157 -14.989 -31.378 1.00 0.29 C ATOM 796 CD2 PHE A 52 -2.157 -14.654 -29.239 1.00 0.28 C ATOM 797 CE1 PHE A 52 -2.096 -14.342 -31.977 1.00 0.38 C ATOM 798 CE2 PHE A 52 -1.094 -14.005 -29.830 1.00 0.37 C ATOM 799 CZ PHE A 52 -1.062 -13.849 -31.202 1.00 0.39 C ATOM 0 H PHE A 52 -5.818 -14.552 -31.120 1.00 0.12 H new ATOM 0 HA PHE A 52 -6.210 -15.462 -28.342 1.00 0.11 H new ATOM 0 HB2 PHE A 52 -4.010 -16.281 -28.402 1.00 0.14 H new ATOM 0 HB3 PHE A 52 -4.654 -16.698 -29.978 1.00 0.14 H new ATOM 0 HD1 PHE A 52 -3.962 -15.372 -31.988 1.00 0.29 H new ATOM 0 HD2 PHE A 52 -2.177 -14.776 -28.166 1.00 0.28 H new ATOM 0 HE1 PHE A 52 -2.073 -14.221 -33.050 1.00 0.38 H new ATOM 0 HE2 PHE A 52 -0.289 -13.620 -29.222 1.00 0.37 H new ATOM 0 HZ PHE A 52 -0.230 -13.343 -31.669 1.00 0.39 H new ATOM 809 N PHE A 53 -4.811 -13.605 -27.252 1.00 0.10 N ATOM 810 CA PHE A 53 -4.250 -12.433 -26.607 1.00 0.10 C ATOM 811 C PHE A 53 -3.375 -12.874 -25.444 1.00 0.11 C ATOM 812 O PHE A 53 -3.562 -13.970 -24.908 1.00 0.13 O ATOM 813 CB PHE A 53 -5.369 -11.487 -26.137 1.00 0.10 C ATOM 814 CG PHE A 53 -6.211 -11.994 -24.996 1.00 0.10 C ATOM 815 CD1 PHE A 53 -5.777 -11.864 -23.685 1.00 0.13 C ATOM 816 CD2 PHE A 53 -7.443 -12.585 -25.230 1.00 0.11 C ATOM 817 CE1 PHE A 53 -6.555 -12.312 -22.638 1.00 0.16 C ATOM 818 CE2 PHE A 53 -8.220 -13.033 -24.184 1.00 0.13 C ATOM 819 CZ PHE A 53 -7.775 -12.899 -22.888 1.00 0.14 C ATOM 0 H PHE A 53 -4.935 -14.403 -26.629 1.00 0.10 H new ATOM 0 HA PHE A 53 -3.636 -11.882 -27.320 1.00 0.10 H new ATOM 0 HB2 PHE A 53 -4.919 -10.540 -25.840 1.00 0.10 H new ATOM 0 HB3 PHE A 53 -6.023 -11.278 -26.983 1.00 0.10 H new ATOM 0 HD1 PHE A 53 -4.820 -11.407 -23.482 1.00 0.13 H new ATOM 0 HD2 PHE A 53 -7.798 -12.696 -26.244 1.00 0.11 H new ATOM 0 HE1 PHE A 53 -6.207 -12.202 -21.622 1.00 0.16 H new ATOM 0 HE2 PHE A 53 -9.179 -13.490 -24.381 1.00 0.13 H new ATOM 0 HZ PHE A 53 -8.382 -13.254 -22.068 1.00 0.14 H new ATOM 829 N HIS A 54 -2.416 -12.048 -25.067 1.00 0.13 N ATOM 830 CA HIS A 54 -1.578 -12.339 -23.918 1.00 0.15 C ATOM 831 C HIS A 54 -2.130 -11.597 -22.698 1.00 0.15 C ATOM 832 O HIS A 54 -2.763 -10.552 -22.833 1.00 0.16 O ATOM 833 CB HIS A 54 -0.123 -11.939 -24.193 1.00 0.18 C ATOM 834 CG HIS A 54 0.809 -12.277 -23.070 1.00 0.21 C ATOM 835 ND1 HIS A 54 1.571 -11.357 -22.393 1.00 0.34 N ATOM 836 CD2 HIS A 54 1.075 -13.477 -22.497 1.00 0.25 C ATOM 837 CE1 HIS A 54 2.254 -12.013 -21.445 1.00 0.34 C ATOM 838 NE2 HIS A 54 1.989 -13.299 -21.469 1.00 0.27 N ATOM 0 H HIS A 54 -2.198 -11.171 -25.539 1.00 0.13 H new ATOM 0 HA HIS A 54 -1.590 -13.411 -23.721 1.00 0.15 H new ATOM 0 HB2 HIS A 54 0.218 -12.437 -25.101 1.00 0.18 H new ATOM 0 HB3 HIS A 54 -0.078 -10.866 -24.382 1.00 0.18 H new ATOM 0 HD2 HIS A 54 0.644 -14.421 -22.794 1.00 0.25 H new ATOM 0 HE1 HIS A 54 2.935 -11.544 -20.750 1.00 0.34 H new ATOM 0 HE2 HIS A 54 2.376 -14.018 -20.858 1.00 0.27 H new ATOM 846 N MET A 55 -1.895 -12.143 -21.513 1.00 0.16 N ATOM 847 CA MET A 55 -2.392 -11.563 -20.267 1.00 0.17 C ATOM 848 C MET A 55 -1.780 -10.187 -19.977 1.00 0.17 C ATOM 849 O MET A 55 -2.143 -9.538 -18.998 1.00 0.27 O ATOM 850 CB MET A 55 -2.099 -12.517 -19.106 1.00 0.24 C ATOM 851 CG MET A 55 -3.089 -13.663 -18.965 1.00 0.76 C ATOM 852 SD MET A 55 -4.758 -13.085 -18.616 1.00 1.86 S ATOM 853 CE MET A 55 -5.585 -14.638 -18.299 1.00 2.43 C ATOM 0 H MET A 55 -1.356 -12.999 -21.385 1.00 0.16 H new ATOM 0 HA MET A 55 -3.467 -11.421 -20.377 1.00 0.17 H new ATOM 0 HB2 MET A 55 -1.099 -12.931 -19.237 1.00 0.24 H new ATOM 0 HB3 MET A 55 -2.089 -11.946 -18.177 1.00 0.24 H new ATOM 0 HG2 MET A 55 -3.095 -14.250 -19.883 1.00 0.76 H new ATOM 0 HG3 MET A 55 -2.762 -14.326 -18.164 1.00 0.76 H new ATOM 0 HE1 MET A 55 -6.542 -14.448 -17.814 1.00 2.43 H new ATOM 0 HE2 MET A 55 -5.753 -15.160 -19.241 1.00 2.43 H new ATOM 0 HE3 MET A 55 -4.965 -15.254 -17.649 1.00 2.43 H new ATOM 863 N SER A 56 -0.864 -9.735 -20.821 1.00 0.16 N ATOM 864 CA SER A 56 -0.274 -8.420 -20.644 1.00 0.19 C ATOM 865 C SER A 56 -1.188 -7.359 -21.240 1.00 0.17 C ATOM 866 O SER A 56 -1.152 -6.200 -20.830 1.00 0.24 O ATOM 867 CB SER A 56 1.116 -8.342 -21.283 1.00 0.26 C ATOM 868 OG SER A 56 1.742 -7.105 -20.989 1.00 0.91 O ATOM 0 H SER A 56 -0.517 -10.255 -21.627 1.00 0.16 H new ATOM 0 HA SER A 56 -0.160 -8.239 -19.575 1.00 0.19 H new ATOM 0 HB2 SER A 56 1.734 -9.162 -20.918 1.00 0.26 H new ATOM 0 HB3 SER A 56 1.031 -8.463 -22.363 1.00 0.26 H new ATOM 0 HG SER A 56 2.628 -7.080 -21.406 1.00 0.91 H new ATOM 874 N GLU A 57 -2.003 -7.758 -22.210 1.00 0.14 N ATOM 875 CA GLU A 57 -2.966 -6.857 -22.816 1.00 0.17 C ATOM 876 C GLU A 57 -4.251 -6.814 -21.988 1.00 0.16 C ATOM 877 O GLU A 57 -5.153 -6.027 -22.263 1.00 0.20 O ATOM 878 CB GLU A 57 -3.284 -7.293 -24.254 1.00 0.22 C ATOM 879 CG GLU A 57 -2.083 -7.287 -25.201 1.00 0.32 C ATOM 880 CD GLU A 57 -1.190 -8.507 -25.052 1.00 1.10 C ATOM 881 OE1 GLU A 57 -1.483 -9.537 -25.692 1.00 1.96 O ATOM 882 OE2 GLU A 57 -0.184 -8.435 -24.311 1.00 1.20 O ATOM 0 H GLU A 57 -2.013 -8.704 -22.592 1.00 0.14 H new ATOM 0 HA GLU A 57 -2.529 -5.859 -22.842 1.00 0.17 H new ATOM 0 HB2 GLU A 57 -3.706 -8.298 -24.230 1.00 0.22 H new ATOM 0 HB3 GLU A 57 -4.052 -6.634 -24.658 1.00 0.22 H new ATOM 0 HG2 GLU A 57 -2.441 -7.231 -26.229 1.00 0.32 H new ATOM 0 HG3 GLU A 57 -1.492 -6.389 -25.020 1.00 0.32 H new ATOM 889 N VAL A 58 -4.312 -7.667 -20.980 1.00 0.17 N ATOM 890 CA VAL A 58 -5.479 -7.807 -20.124 1.00 0.17 C ATOM 891 C VAL A 58 -5.667 -6.605 -19.188 1.00 0.20 C ATOM 892 O VAL A 58 -4.714 -5.907 -18.836 1.00 0.27 O ATOM 893 CB VAL A 58 -5.378 -9.136 -19.336 1.00 0.16 C ATOM 894 CG1 VAL A 58 -6.011 -9.055 -17.959 1.00 0.27 C ATOM 895 CG2 VAL A 58 -6.011 -10.259 -20.139 1.00 0.22 C ATOM 0 H VAL A 58 -3.544 -8.290 -20.729 1.00 0.17 H new ATOM 0 HA VAL A 58 -6.367 -7.832 -20.755 1.00 0.17 H new ATOM 0 HB VAL A 58 -4.318 -9.339 -19.182 1.00 0.16 H new ATOM 0 HG11 VAL A 58 -5.909 -10.016 -17.455 1.00 0.27 H new ATOM 0 HG12 VAL A 58 -5.511 -8.283 -17.374 1.00 0.27 H new ATOM 0 HG13 VAL A 58 -7.068 -8.808 -18.058 1.00 0.27 H new ATOM 0 HG21 VAL A 58 -5.937 -11.192 -19.580 1.00 0.22 H new ATOM 0 HG22 VAL A 58 -7.060 -10.028 -20.323 1.00 0.22 H new ATOM 0 HG23 VAL A 58 -5.490 -10.364 -21.091 1.00 0.22 H new ATOM 905 N GLN A 59 -6.926 -6.379 -18.828 1.00 0.20 N ATOM 906 CA GLN A 59 -7.344 -5.248 -18.017 1.00 0.25 C ATOM 907 C GLN A 59 -6.758 -5.306 -16.606 1.00 0.34 C ATOM 908 O GLN A 59 -7.274 -6.008 -15.736 1.00 0.57 O ATOM 909 CB GLN A 59 -8.877 -5.243 -17.956 1.00 0.31 C ATOM 910 CG GLN A 59 -9.495 -3.894 -17.623 1.00 0.41 C ATOM 911 CD GLN A 59 -9.472 -3.544 -16.144 1.00 0.77 C ATOM 912 OE1 GLN A 59 -10.388 -3.892 -15.405 1.00 1.60 O ATOM 913 NE2 GLN A 59 -8.446 -2.828 -15.705 1.00 1.25 N ATOM 0 H GLN A 59 -7.697 -6.990 -19.098 1.00 0.20 H new ATOM 0 HA GLN A 59 -6.973 -4.330 -18.474 1.00 0.25 H new ATOM 0 HB2 GLN A 59 -9.266 -5.579 -18.917 1.00 0.31 H new ATOM 0 HB3 GLN A 59 -9.200 -5.969 -17.210 1.00 0.31 H new ATOM 0 HG2 GLN A 59 -8.966 -3.118 -18.176 1.00 0.41 H new ATOM 0 HG3 GLN A 59 -10.528 -3.885 -17.971 1.00 0.41 H new ATOM 0 HE21 GLN A 59 -7.702 -2.556 -16.347 1.00 1.25 H new ATOM 0 HE22 GLN A 59 -8.401 -2.549 -14.725 1.00 1.25 H new ATOM 922 N GLY A 60 -5.671 -4.568 -16.395 1.00 0.40 N ATOM 923 CA GLY A 60 -5.111 -4.419 -15.065 1.00 0.49 C ATOM 924 C GLY A 60 -4.409 -5.662 -14.560 1.00 0.44 C ATOM 925 O GLY A 60 -3.189 -5.795 -14.691 1.00 0.58 O ATOM 0 H GLY A 60 -5.166 -4.068 -17.127 1.00 0.40 H new ATOM 0 HA2 GLY A 60 -4.405 -3.589 -15.068 1.00 0.49 H new ATOM 0 HA3 GLY A 60 -5.909 -4.155 -14.371 1.00 0.49 H new ATOM 929 N ASN A 61 -5.179 -6.573 -13.983 1.00 0.47 N ATOM 930 CA ASN A 61 -4.619 -7.774 -13.386 1.00 0.52 C ATOM 931 C ASN A 61 -4.916 -8.977 -14.256 1.00 0.52 C ATOM 932 O ASN A 61 -6.006 -9.099 -14.808 1.00 0.49 O ATOM 933 CB ASN A 61 -5.184 -8.018 -11.985 1.00 0.63 C ATOM 934 CG ASN A 61 -4.851 -6.908 -11.005 1.00 1.27 C ATOM 935 OD1 ASN A 61 -3.798 -6.280 -11.092 1.00 2.20 O ATOM 936 ND2 ASN A 61 -5.746 -6.666 -10.061 1.00 1.71 N ATOM 0 H ASN A 61 -6.194 -6.502 -13.916 1.00 0.47 H new ATOM 0 HA ASN A 61 -3.542 -7.629 -13.307 1.00 0.52 H new ATOM 0 HB2 ASN A 61 -6.267 -8.124 -12.050 1.00 0.63 H new ATOM 0 HB3 ASN A 61 -4.794 -8.961 -11.602 1.00 0.63 H new ATOM 0 HD21 ASN A 61 -5.574 -5.935 -9.371 1.00 1.71 H new ATOM 0 HD22 ASN A 61 -6.608 -7.210 -10.024 1.00 1.71 H new ATOM 943 N THR A 62 -3.957 -9.882 -14.342 1.00 0.62 N ATOM 944 CA THR A 62 -4.083 -11.058 -15.191 1.00 0.71 C ATOM 945 C THR A 62 -5.157 -12.009 -14.673 1.00 0.70 C ATOM 946 O THR A 62 -5.699 -12.823 -15.415 1.00 0.82 O ATOM 947 CB THR A 62 -2.734 -11.786 -15.287 1.00 0.86 C ATOM 948 OG1 THR A 62 -2.309 -12.212 -13.985 1.00 0.87 O ATOM 949 CG2 THR A 62 -1.690 -10.858 -15.872 1.00 0.95 C ATOM 0 H THR A 62 -3.076 -9.826 -13.831 1.00 0.62 H new ATOM 0 HA THR A 62 -4.384 -10.724 -16.184 1.00 0.71 H new ATOM 0 HB THR A 62 -2.852 -12.657 -15.931 1.00 0.86 H new ATOM 0 HG1 THR A 62 -1.449 -12.676 -14.057 1.00 0.87 H new ATOM 0 HG21 THR A 62 -0.735 -11.380 -15.938 1.00 0.95 H new ATOM 0 HG22 THR A 62 -2.001 -10.543 -16.868 1.00 0.95 H new ATOM 0 HG23 THR A 62 -1.582 -9.983 -15.232 1.00 0.95 H new ATOM 957 N VAL A 63 -5.474 -11.887 -13.392 1.00 0.63 N ATOM 958 CA VAL A 63 -6.488 -12.730 -12.772 1.00 0.71 C ATOM 959 C VAL A 63 -7.847 -12.022 -12.775 1.00 0.64 C ATOM 960 O VAL A 63 -8.838 -12.543 -12.273 1.00 0.74 O ATOM 961 CB VAL A 63 -6.093 -13.096 -11.319 1.00 0.84 C ATOM 962 CG1 VAL A 63 -6.906 -14.270 -10.799 1.00 1.39 C ATOM 963 CG2 VAL A 63 -4.609 -13.408 -11.226 1.00 1.31 C ATOM 0 H VAL A 63 -5.043 -11.212 -12.760 1.00 0.63 H new ATOM 0 HA VAL A 63 -6.561 -13.648 -13.355 1.00 0.71 H new ATOM 0 HB VAL A 63 -6.311 -12.230 -10.695 1.00 0.84 H new ATOM 0 HG11 VAL A 63 -6.602 -14.499 -9.778 1.00 1.39 H new ATOM 0 HG12 VAL A 63 -7.965 -14.014 -10.814 1.00 1.39 H new ATOM 0 HG13 VAL A 63 -6.734 -15.140 -11.432 1.00 1.39 H new ATOM 0 HG21 VAL A 63 -4.354 -13.662 -10.197 1.00 1.31 H new ATOM 0 HG22 VAL A 63 -4.373 -14.250 -11.877 1.00 1.31 H new ATOM 0 HG23 VAL A 63 -4.034 -12.536 -11.537 1.00 1.31 H new ATOM 973 N ALA A 64 -7.891 -10.831 -13.356 1.00 0.55 N ATOM 974 CA ALA A 64 -9.115 -10.033 -13.362 1.00 0.53 C ATOM 975 C ALA A 64 -9.953 -10.312 -14.608 1.00 0.44 C ATOM 976 O ALA A 64 -11.123 -9.939 -14.675 1.00 0.56 O ATOM 977 CB ALA A 64 -8.781 -8.552 -13.266 1.00 0.57 C ATOM 0 H ALA A 64 -7.099 -10.395 -13.828 1.00 0.55 H new ATOM 0 HA ALA A 64 -9.706 -10.318 -12.492 1.00 0.53 H new ATOM 0 HB1 ALA A 64 -9.703 -7.970 -13.272 1.00 0.57 H new ATOM 0 HB2 ALA A 64 -8.237 -8.361 -12.341 1.00 0.57 H new ATOM 0 HB3 ALA A 64 -8.164 -8.262 -14.116 1.00 0.57 H new ATOM 983 N LEU A 65 -9.355 -10.969 -15.588 1.00 0.35 N ATOM 984 CA LEU A 65 -10.059 -11.301 -16.814 1.00 0.25 C ATOM 985 C LEU A 65 -10.276 -12.816 -16.869 1.00 0.22 C ATOM 986 O LEU A 65 -9.327 -13.595 -16.762 1.00 0.26 O ATOM 987 CB LEU A 65 -9.259 -10.782 -18.026 1.00 0.23 C ATOM 988 CG LEU A 65 -10.064 -10.500 -19.301 1.00 0.25 C ATOM 989 CD1 LEU A 65 -10.454 -11.804 -19.970 1.00 1.51 C ATOM 990 CD2 LEU A 65 -11.286 -9.665 -18.974 1.00 1.21 C ATOM 0 H LEU A 65 -8.385 -11.282 -15.558 1.00 0.35 H new ATOM 0 HA LEU A 65 -11.037 -10.820 -16.839 1.00 0.25 H new ATOM 0 HB2 LEU A 65 -8.750 -9.864 -17.732 1.00 0.23 H new ATOM 0 HB3 LEU A 65 -8.486 -11.513 -18.264 1.00 0.23 H new ATOM 0 HG LEU A 65 -9.445 -9.934 -19.997 1.00 0.25 H new ATOM 0 HD11 LEU A 65 -11.025 -11.593 -20.874 1.00 1.51 H new ATOM 0 HD12 LEU A 65 -9.555 -12.362 -20.231 1.00 1.51 H new ATOM 0 HD13 LEU A 65 -11.063 -12.396 -19.286 1.00 1.51 H new ATOM 0 HD21 LEU A 65 -11.849 -9.471 -19.887 1.00 1.21 H new ATOM 0 HD22 LEU A 65 -11.916 -10.204 -18.266 1.00 1.21 H new ATOM 0 HD23 LEU A 65 -10.973 -8.719 -18.533 1.00 1.21 H new ATOM 1002 N HIS A 66 -11.530 -13.232 -17.024 1.00 0.20 N ATOM 1003 CA HIS A 66 -11.882 -14.646 -16.931 1.00 0.21 C ATOM 1004 C HIS A 66 -12.457 -15.157 -18.248 1.00 0.15 C ATOM 1005 O HIS A 66 -13.071 -14.397 -18.999 1.00 0.15 O ATOM 1006 CB HIS A 66 -12.913 -14.866 -15.819 1.00 0.31 C ATOM 1007 CG HIS A 66 -12.566 -14.225 -14.506 1.00 0.53 C ATOM 1008 ND1 HIS A 66 -11.840 -14.844 -13.513 1.00 0.75 N ATOM 1009 CD2 HIS A 66 -12.874 -12.991 -14.030 1.00 0.76 C ATOM 1010 CE1 HIS A 66 -11.736 -13.990 -12.487 1.00 0.90 C ATOM 1011 NE2 HIS A 66 -12.347 -12.853 -12.747 1.00 0.91 N ATOM 0 H HIS A 66 -12.317 -12.612 -17.214 1.00 0.20 H new ATOM 0 HA HIS A 66 -10.970 -15.198 -16.704 1.00 0.21 H new ATOM 0 HB2 HIS A 66 -13.876 -14.480 -16.153 1.00 0.31 H new ATOM 0 HB3 HIS A 66 -13.036 -15.938 -15.663 1.00 0.31 H new ATOM 0 HD2 HIS A 66 -13.437 -12.237 -14.561 1.00 0.76 H new ATOM 0 HE1 HIS A 66 -11.218 -14.206 -11.565 1.00 0.90 H new ATOM 0 HE2 HIS A 66 -12.420 -12.040 -12.136 1.00 0.91 H new ATOM 1019 N PRO A 67 -12.264 -16.454 -18.552 1.00 0.15 N ATOM 1020 CA PRO A 67 -12.877 -17.086 -19.721 1.00 0.14 C ATOM 1021 C PRO A 67 -14.395 -17.164 -19.596 1.00 0.15 C ATOM 1022 O PRO A 67 -14.925 -17.520 -18.541 1.00 0.28 O ATOM 1023 CB PRO A 67 -12.264 -18.488 -19.742 1.00 0.19 C ATOM 1024 CG PRO A 67 -11.840 -18.736 -18.337 1.00 0.20 C ATOM 1025 CD PRO A 67 -11.421 -17.399 -17.798 1.00 0.19 C ATOM 0 HA PRO A 67 -12.692 -16.522 -20.635 1.00 0.14 H new ATOM 0 HB2 PRO A 67 -12.988 -19.232 -20.074 1.00 0.19 H new ATOM 0 HB3 PRO A 67 -11.417 -18.540 -20.426 1.00 0.19 H new ATOM 0 HG2 PRO A 67 -12.656 -19.157 -17.750 1.00 0.20 H new ATOM 0 HG3 PRO A 67 -11.017 -19.450 -18.296 1.00 0.20 H new ATOM 0 HD2 PRO A 67 -11.594 -17.325 -16.724 1.00 0.19 H new ATOM 0 HD3 PRO A 67 -10.360 -17.213 -17.963 1.00 0.19 H new ATOM 1033 N GLY A 68 -15.089 -16.831 -20.676 1.00 0.15 N ATOM 1034 CA GLY A 68 -16.539 -16.824 -20.657 1.00 0.18 C ATOM 1035 C GLY A 68 -17.103 -15.467 -20.304 1.00 0.18 C ATOM 1036 O GLY A 68 -18.319 -15.282 -20.278 1.00 0.22 O ATOM 0 H GLY A 68 -14.672 -16.565 -21.568 1.00 0.15 H new ATOM 0 HA2 GLY A 68 -16.914 -17.127 -21.634 1.00 0.18 H new ATOM 0 HA3 GLY A 68 -16.894 -17.561 -19.936 1.00 0.18 H new ATOM 1040 N ASP A 69 -16.222 -14.519 -20.022 1.00 0.18 N ATOM 1041 CA ASP A 69 -16.640 -13.161 -19.711 1.00 0.20 C ATOM 1042 C ASP A 69 -16.571 -12.304 -20.959 1.00 0.13 C ATOM 1043 O ASP A 69 -15.805 -12.603 -21.882 1.00 0.12 O ATOM 1044 CB ASP A 69 -15.753 -12.552 -18.627 1.00 0.27 C ATOM 1045 CG ASP A 69 -16.492 -11.539 -17.766 1.00 0.68 C ATOM 1046 OD1 ASP A 69 -17.479 -10.941 -18.244 1.00 1.28 O ATOM 1047 OD2 ASP A 69 -16.086 -11.329 -16.603 1.00 1.09 O ATOM 0 H ASP A 69 -15.213 -14.665 -20.002 1.00 0.18 H new ATOM 0 HA ASP A 69 -17.666 -13.195 -19.343 1.00 0.20 H new ATOM 0 HB2 ASP A 69 -15.364 -13.348 -17.992 1.00 0.27 H new ATOM 0 HB3 ASP A 69 -14.895 -12.069 -19.094 1.00 0.27 H new ATOM 1052 N THR A 70 -17.367 -11.251 -20.991 1.00 0.13 N ATOM 1053 CA THR A 70 -17.371 -10.341 -22.120 1.00 0.11 C ATOM 1054 C THR A 70 -16.188 -9.386 -22.007 1.00 0.10 C ATOM 1055 O THR A 70 -15.897 -8.873 -20.927 1.00 0.14 O ATOM 1056 CB THR A 70 -18.677 -9.526 -22.192 1.00 0.14 C ATOM 1057 OG1 THR A 70 -19.785 -10.343 -21.793 1.00 0.17 O ATOM 1058 CG2 THR A 70 -18.919 -9.011 -23.608 1.00 0.15 C ATOM 0 H THR A 70 -18.020 -11.005 -20.247 1.00 0.13 H new ATOM 0 HA THR A 70 -17.293 -10.937 -23.030 1.00 0.11 H new ATOM 0 HB THR A 70 -18.583 -8.675 -21.518 1.00 0.14 H new ATOM 0 HG1 THR A 70 -20.612 -9.819 -21.839 1.00 0.17 H new ATOM 0 HG21 THR A 70 -19.846 -8.439 -23.634 1.00 0.15 H new ATOM 0 HG22 THR A 70 -18.090 -8.371 -23.909 1.00 0.15 H new ATOM 0 HG23 THR A 70 -18.994 -9.855 -24.294 1.00 0.15 H new ATOM 1066 N VAL A 71 -15.499 -9.161 -23.108 1.00 0.10 N ATOM 1067 CA VAL A 71 -14.328 -8.302 -23.108 1.00 0.12 C ATOM 1068 C VAL A 71 -14.337 -7.380 -24.310 1.00 0.12 C ATOM 1069 O VAL A 71 -15.043 -7.613 -25.294 1.00 0.16 O ATOM 1070 CB VAL A 71 -13.032 -9.127 -23.130 1.00 0.17 C ATOM 1071 CG1 VAL A 71 -13.007 -10.083 -21.960 1.00 0.31 C ATOM 1072 CG2 VAL A 71 -12.887 -9.879 -24.439 1.00 0.24 C ATOM 0 H VAL A 71 -15.729 -9.562 -24.017 1.00 0.10 H new ATOM 0 HA VAL A 71 -14.363 -7.712 -22.192 1.00 0.12 H new ATOM 0 HB VAL A 71 -12.187 -8.444 -23.044 1.00 0.17 H new ATOM 0 HG11 VAL A 71 -12.085 -10.663 -21.984 1.00 0.31 H new ATOM 0 HG12 VAL A 71 -13.057 -9.519 -21.028 1.00 0.31 H new ATOM 0 HG13 VAL A 71 -13.861 -10.757 -22.022 1.00 0.31 H new ATOM 0 HG21 VAL A 71 -11.961 -10.454 -24.427 1.00 0.24 H new ATOM 0 HG22 VAL A 71 -13.733 -10.555 -24.566 1.00 0.24 H new ATOM 0 HG23 VAL A 71 -12.863 -9.169 -25.266 1.00 0.24 H new ATOM 1082 N GLU A 72 -13.560 -6.328 -24.215 1.00 0.14 N ATOM 1083 CA GLU A 72 -13.325 -5.452 -25.333 1.00 0.14 C ATOM 1084 C GLU A 72 -11.857 -5.562 -25.710 1.00 0.14 C ATOM 1085 O GLU A 72 -10.998 -5.660 -24.840 1.00 0.24 O ATOM 1086 CB GLU A 72 -13.719 -4.008 -24.985 1.00 0.21 C ATOM 1087 CG GLU A 72 -12.629 -2.997 -25.264 1.00 0.33 C ATOM 1088 CD GLU A 72 -13.082 -1.557 -25.122 1.00 0.42 C ATOM 1089 OE1 GLU A 72 -12.209 -0.665 -25.040 1.00 0.59 O ATOM 1090 OE2 GLU A 72 -14.304 -1.313 -25.109 1.00 0.78 O ATOM 0 H GLU A 72 -13.074 -6.057 -23.360 1.00 0.14 H new ATOM 0 HA GLU A 72 -13.941 -5.744 -26.184 1.00 0.14 H new ATOM 0 HB2 GLU A 72 -14.609 -3.736 -25.553 1.00 0.21 H new ATOM 0 HB3 GLU A 72 -13.987 -3.958 -23.930 1.00 0.21 H new ATOM 0 HG2 GLU A 72 -11.797 -3.176 -24.583 1.00 0.33 H new ATOM 0 HG3 GLU A 72 -12.252 -3.152 -26.275 1.00 0.33 H new ATOM 1097 N PHE A 73 -11.578 -5.592 -26.993 1.00 0.09 N ATOM 1098 CA PHE A 73 -10.225 -5.808 -27.470 1.00 0.08 C ATOM 1099 C PHE A 73 -10.009 -5.077 -28.775 1.00 0.07 C ATOM 1100 O PHE A 73 -10.900 -4.406 -29.271 1.00 0.07 O ATOM 1101 CB PHE A 73 -9.938 -7.303 -27.637 1.00 0.08 C ATOM 1102 CG PHE A 73 -10.953 -8.039 -28.463 1.00 0.08 C ATOM 1103 CD1 PHE A 73 -10.708 -8.347 -29.792 1.00 0.09 C ATOM 1104 CD2 PHE A 73 -12.152 -8.435 -27.903 1.00 0.11 C ATOM 1105 CE1 PHE A 73 -11.640 -9.035 -30.538 1.00 0.10 C ATOM 1106 CE2 PHE A 73 -13.085 -9.122 -28.645 1.00 0.11 C ATOM 1107 CZ PHE A 73 -12.832 -9.423 -29.964 1.00 0.10 C ATOM 0 H PHE A 73 -12.272 -5.469 -27.731 1.00 0.09 H new ATOM 0 HA PHE A 73 -9.531 -5.412 -26.728 1.00 0.08 H new ATOM 0 HB2 PHE A 73 -8.957 -7.423 -28.096 1.00 0.08 H new ATOM 0 HB3 PHE A 73 -9.887 -7.764 -26.650 1.00 0.08 H new ATOM 0 HD1 PHE A 73 -9.777 -8.045 -30.248 1.00 0.09 H new ATOM 0 HD2 PHE A 73 -12.360 -8.202 -26.869 1.00 0.11 H new ATOM 0 HE1 PHE A 73 -11.437 -9.270 -31.572 1.00 0.10 H new ATOM 0 HE2 PHE A 73 -14.017 -9.425 -28.192 1.00 0.11 H new ATOM 0 HZ PHE A 73 -13.565 -9.961 -30.547 1.00 0.10 H new ATOM 1117 N SER A 74 -8.822 -5.185 -29.317 1.00 0.09 N ATOM 1118 CA SER A 74 -8.510 -4.549 -30.578 1.00 0.10 C ATOM 1119 C SER A 74 -7.879 -5.564 -31.500 1.00 0.12 C ATOM 1120 O SER A 74 -6.796 -6.076 -31.219 1.00 0.19 O ATOM 1121 CB SER A 74 -7.568 -3.362 -30.353 1.00 0.15 C ATOM 1122 OG SER A 74 -8.158 -2.406 -29.493 1.00 0.86 O ATOM 0 H SER A 74 -8.051 -5.709 -28.904 1.00 0.09 H new ATOM 0 HA SER A 74 -9.425 -4.171 -31.035 1.00 0.10 H new ATOM 0 HB2 SER A 74 -6.630 -3.713 -29.924 1.00 0.15 H new ATOM 0 HB3 SER A 74 -7.327 -2.897 -31.309 1.00 0.15 H new ATOM 0 HG SER A 74 -7.539 -1.658 -29.362 1.00 0.86 H new ATOM 1128 N VAL A 75 -8.567 -5.868 -32.584 1.00 0.17 N ATOM 1129 CA VAL A 75 -8.117 -6.903 -33.486 1.00 0.19 C ATOM 1130 C VAL A 75 -7.117 -6.345 -34.498 1.00 0.20 C ATOM 1131 O VAL A 75 -7.480 -5.646 -35.443 1.00 0.27 O ATOM 1132 CB VAL A 75 -9.315 -7.589 -34.191 1.00 0.27 C ATOM 1133 CG1 VAL A 75 -10.162 -6.583 -34.951 1.00 0.33 C ATOM 1134 CG2 VAL A 75 -8.840 -8.703 -35.114 1.00 0.36 C ATOM 0 H VAL A 75 -9.437 -5.412 -32.858 1.00 0.17 H new ATOM 0 HA VAL A 75 -7.604 -7.665 -32.899 1.00 0.19 H new ATOM 0 HB VAL A 75 -9.941 -8.032 -33.417 1.00 0.27 H new ATOM 0 HG11 VAL A 75 -10.993 -7.098 -35.433 1.00 0.33 H new ATOM 0 HG12 VAL A 75 -10.550 -5.837 -34.258 1.00 0.33 H new ATOM 0 HG13 VAL A 75 -9.551 -6.091 -35.708 1.00 0.33 H new ATOM 0 HG21 VAL A 75 -9.700 -9.168 -35.596 1.00 0.36 H new ATOM 0 HG22 VAL A 75 -8.178 -8.288 -35.874 1.00 0.36 H new ATOM 0 HG23 VAL A 75 -8.301 -9.452 -34.533 1.00 0.36 H new ATOM 1144 N VAL A 76 -5.846 -6.610 -34.255 1.00 0.19 N ATOM 1145 CA VAL A 76 -4.800 -6.187 -35.168 1.00 0.26 C ATOM 1146 C VAL A 76 -4.261 -7.391 -35.932 1.00 0.25 C ATOM 1147 O VAL A 76 -3.814 -8.377 -35.336 1.00 0.25 O ATOM 1148 CB VAL A 76 -3.654 -5.444 -34.433 1.00 0.33 C ATOM 1149 CG1 VAL A 76 -3.048 -6.302 -33.326 1.00 0.32 C ATOM 1150 CG2 VAL A 76 -2.578 -5.001 -35.419 1.00 0.42 C ATOM 0 H VAL A 76 -5.514 -7.116 -33.434 1.00 0.19 H new ATOM 0 HA VAL A 76 -5.236 -5.480 -35.874 1.00 0.26 H new ATOM 0 HB VAL A 76 -4.083 -4.557 -33.967 1.00 0.33 H new ATOM 0 HG11 VAL A 76 -2.248 -5.749 -32.833 1.00 0.32 H new ATOM 0 HG12 VAL A 76 -3.819 -6.553 -32.597 1.00 0.32 H new ATOM 0 HG13 VAL A 76 -2.644 -7.218 -33.756 1.00 0.32 H new ATOM 0 HG21 VAL A 76 -1.784 -4.482 -34.882 1.00 0.42 H new ATOM 0 HG22 VAL A 76 -2.164 -5.875 -35.923 1.00 0.42 H new ATOM 0 HG23 VAL A 76 -3.016 -4.329 -36.158 1.00 0.42 H new ATOM 1160 N THR A 77 -4.352 -7.326 -37.249 1.00 0.34 N ATOM 1161 CA THR A 77 -3.924 -8.417 -38.099 1.00 0.38 C ATOM 1162 C THR A 77 -2.410 -8.413 -38.275 1.00 0.44 C ATOM 1163 O THR A 77 -1.808 -7.395 -38.621 1.00 0.56 O ATOM 1164 CB THR A 77 -4.612 -8.345 -39.478 1.00 0.57 C ATOM 1165 OG1 THR A 77 -6.035 -8.310 -39.304 1.00 0.67 O ATOM 1166 CG2 THR A 77 -4.234 -9.540 -40.345 1.00 0.62 C ATOM 0 H THR A 77 -4.722 -6.521 -37.754 1.00 0.34 H new ATOM 0 HA THR A 77 -4.215 -9.347 -37.610 1.00 0.38 H new ATOM 0 HB THR A 77 -4.276 -7.438 -39.980 1.00 0.57 H new ATOM 0 HG1 THR A 77 -6.307 -9.025 -38.692 1.00 0.67 H new ATOM 0 HG21 THR A 77 -4.734 -9.462 -41.310 1.00 0.62 H new ATOM 0 HG22 THR A 77 -3.155 -9.553 -40.495 1.00 0.62 H new ATOM 0 HG23 THR A 77 -4.543 -10.461 -39.850 1.00 0.62 H new ATOM 1174 N ASN A 78 -1.804 -9.561 -38.022 1.00 0.44 N ATOM 1175 CA ASN A 78 -0.383 -9.745 -38.215 1.00 0.57 C ATOM 1176 C ASN A 78 -0.071 -9.704 -39.700 1.00 0.66 C ATOM 1177 O ASN A 78 -0.307 -10.678 -40.408 1.00 0.70 O ATOM 1178 CB ASN A 78 0.057 -11.100 -37.649 1.00 0.64 C ATOM 1179 CG ASN A 78 -0.055 -11.207 -36.136 1.00 1.10 C ATOM 1180 OD1 ASN A 78 -0.313 -12.288 -35.608 1.00 1.82 O ATOM 1181 ND2 ASN A 78 0.145 -10.106 -35.430 1.00 1.54 N ATOM 0 H ASN A 78 -2.288 -10.390 -37.677 1.00 0.44 H new ATOM 0 HA ASN A 78 0.152 -8.949 -37.696 1.00 0.57 H new ATOM 0 HB2 ASN A 78 -0.547 -11.885 -38.104 1.00 0.64 H new ATOM 0 HB3 ASN A 78 1.091 -11.285 -37.940 1.00 0.64 H new ATOM 0 HD21 ASN A 78 0.087 -10.135 -34.412 1.00 1.54 H new ATOM 0 HD22 ASN A 78 0.357 -9.228 -35.904 1.00 1.54 H new ATOM 1188 N GLN A 79 0.453 -8.584 -40.174 1.00 0.79 N ATOM 1189 CA GLN A 79 0.752 -8.420 -41.598 1.00 0.91 C ATOM 1190 C GLN A 79 1.832 -9.397 -42.057 1.00 0.94 C ATOM 1191 O GLN A 79 2.111 -9.525 -43.247 1.00 1.06 O ATOM 1192 CB GLN A 79 1.179 -6.983 -41.900 1.00 1.09 C ATOM 1193 CG GLN A 79 2.366 -6.502 -41.079 1.00 1.18 C ATOM 1194 CD GLN A 79 2.785 -5.094 -41.448 1.00 1.43 C ATOM 1195 OE1 GLN A 79 3.625 -4.897 -42.327 1.00 1.95 O ATOM 1196 NE2 GLN A 79 2.207 -4.106 -40.783 1.00 1.90 N ATOM 0 H GLN A 79 0.682 -7.773 -39.599 1.00 0.79 H new ATOM 0 HA GLN A 79 -0.161 -8.639 -42.152 1.00 0.91 H new ATOM 0 HB2 GLN A 79 1.427 -6.904 -42.958 1.00 1.09 H new ATOM 0 HB3 GLN A 79 0.334 -6.319 -41.720 1.00 1.09 H new ATOM 0 HG2 GLN A 79 2.111 -6.537 -40.020 1.00 1.18 H new ATOM 0 HG3 GLN A 79 3.207 -7.180 -41.227 1.00 1.18 H new ATOM 0 HE21 GLN A 79 1.516 -4.312 -40.062 1.00 1.90 H new ATOM 0 HE22 GLN A 79 2.453 -3.138 -40.992 1.00 1.90 H new ATOM 1205 N ARG A 80 2.426 -10.092 -41.101 1.00 0.93 N ATOM 1206 CA ARG A 80 3.470 -11.054 -41.392 1.00 1.03 C ATOM 1207 C ARG A 80 2.890 -12.467 -41.547 1.00 1.02 C ATOM 1208 O ARG A 80 3.308 -13.221 -42.422 1.00 1.21 O ATOM 1209 CB ARG A 80 4.524 -11.028 -40.280 1.00 1.18 C ATOM 1210 CG ARG A 80 5.737 -11.901 -40.559 1.00 1.35 C ATOM 1211 CD ARG A 80 6.473 -11.443 -41.807 1.00 1.67 C ATOM 1212 NE ARG A 80 7.633 -12.279 -42.100 1.00 2.41 N ATOM 1213 CZ ARG A 80 8.170 -12.401 -43.310 1.00 3.02 C ATOM 1214 NH1 ARG A 80 7.653 -11.737 -44.338 1.00 3.01 N ATOM 1215 NH2 ARG A 80 9.224 -13.184 -43.491 1.00 3.99 N ATOM 0 H ARG A 80 2.199 -10.005 -40.110 1.00 0.93 H new ATOM 0 HA ARG A 80 3.940 -10.780 -42.337 1.00 1.03 H new ATOM 0 HB2 ARG A 80 4.855 -10.000 -40.131 1.00 1.18 H new ATOM 0 HB3 ARG A 80 4.062 -11.352 -39.348 1.00 1.18 H new ATOM 0 HG2 ARG A 80 6.413 -11.871 -39.704 1.00 1.35 H new ATOM 0 HG3 ARG A 80 5.422 -12.937 -40.680 1.00 1.35 H new ATOM 0 HD2 ARG A 80 5.790 -11.461 -42.657 1.00 1.67 H new ATOM 0 HD3 ARG A 80 6.795 -10.410 -41.678 1.00 1.67 H new ATOM 0 HE ARG A 80 8.056 -12.800 -41.332 1.00 2.41 H new ATOM 0 HH11 ARG A 80 6.843 -11.133 -44.199 1.00 3.01 H new ATOM 0 HH12 ARG A 80 8.066 -11.832 -45.266 1.00 3.01 H new ATOM 0 HH21 ARG A 80 9.623 -13.693 -42.702 1.00 3.99 H new ATOM 0 HH22 ARG A 80 9.636 -13.278 -44.419 1.00 3.99 H new ATOM 1229 N ASN A 81 1.914 -12.814 -40.708 1.00 0.91 N ATOM 1230 CA ASN A 81 1.412 -14.190 -40.660 1.00 1.01 C ATOM 1231 C ASN A 81 -0.042 -14.301 -41.125 1.00 0.87 C ATOM 1232 O ASN A 81 -0.497 -15.383 -41.488 1.00 1.04 O ATOM 1233 CB ASN A 81 1.549 -14.759 -39.244 1.00 1.16 C ATOM 1234 CG ASN A 81 2.967 -14.664 -38.707 1.00 1.53 C ATOM 1235 OD1 ASN A 81 3.312 -13.707 -38.015 1.00 1.95 O ATOM 1236 ND2 ASN A 81 3.802 -15.634 -39.044 1.00 2.21 N ATOM 0 H ASN A 81 1.459 -12.172 -40.059 1.00 0.91 H new ATOM 0 HA ASN A 81 2.021 -14.772 -41.351 1.00 1.01 H new ATOM 0 HB2 ASN A 81 0.875 -14.223 -38.575 1.00 1.16 H new ATOM 0 HB3 ASN A 81 1.235 -15.803 -39.245 1.00 1.16 H new ATOM 0 HD21 ASN A 81 4.771 -15.605 -38.728 1.00 2.21 H new ATOM 0 HD22 ASN A 81 3.476 -16.410 -39.620 1.00 2.21 H new ATOM 1243 N GLY A 82 -0.780 -13.200 -41.087 1.00 0.68 N ATOM 1244 CA GLY A 82 -2.149 -13.204 -41.581 1.00 0.69 C ATOM 1245 C GLY A 82 -3.185 -13.372 -40.483 1.00 0.52 C ATOM 1246 O GLY A 82 -4.352 -13.031 -40.666 1.00 0.58 O ATOM 0 H GLY A 82 -0.458 -12.303 -40.724 1.00 0.68 H new ATOM 0 HA2 GLY A 82 -2.339 -12.270 -42.110 1.00 0.69 H new ATOM 0 HA3 GLY A 82 -2.264 -14.010 -42.305 1.00 0.69 H new ATOM 1250 N LYS A 83 -2.763 -13.892 -39.343 1.00 0.45 N ATOM 1251 CA LYS A 83 -3.653 -14.050 -38.200 1.00 0.39 C ATOM 1252 C LYS A 83 -3.750 -12.731 -37.465 1.00 0.35 C ATOM 1253 O LYS A 83 -3.064 -11.783 -37.810 1.00 0.49 O ATOM 1254 CB LYS A 83 -3.139 -15.148 -37.259 1.00 0.53 C ATOM 1255 CG LYS A 83 -1.648 -15.047 -36.982 1.00 0.64 C ATOM 1256 CD LYS A 83 -1.204 -15.950 -35.837 1.00 1.01 C ATOM 1257 CE LYS A 83 0.262 -15.715 -35.495 1.00 1.61 C ATOM 1258 NZ LYS A 83 0.743 -16.605 -34.404 1.00 2.42 N ATOM 0 H LYS A 83 -1.808 -14.213 -39.182 1.00 0.45 H new ATOM 0 HA LYS A 83 -4.641 -14.347 -38.552 1.00 0.39 H new ATOM 0 HB2 LYS A 83 -3.682 -15.093 -36.316 1.00 0.53 H new ATOM 0 HB3 LYS A 83 -3.356 -16.123 -37.695 1.00 0.53 H new ATOM 0 HG2 LYS A 83 -1.096 -15.311 -37.884 1.00 0.64 H new ATOM 0 HG3 LYS A 83 -1.395 -14.014 -36.744 1.00 0.64 H new ATOM 0 HD2 LYS A 83 -1.821 -15.760 -34.959 1.00 1.01 H new ATOM 0 HD3 LYS A 83 -1.354 -16.994 -36.113 1.00 1.01 H new ATOM 0 HE2 LYS A 83 0.870 -15.876 -36.385 1.00 1.61 H new ATOM 0 HE3 LYS A 83 0.400 -14.675 -35.199 1.00 1.61 H new ATOM 0 HZ1 LYS A 83 1.745 -16.406 -34.210 1.00 2.42 H new ATOM 0 HZ2 LYS A 83 0.183 -16.434 -33.544 1.00 2.42 H new ATOM 0 HZ3 LYS A 83 0.638 -17.598 -34.694 1.00 2.42 H new ATOM 1272 N SER A 84 -4.596 -12.649 -36.464 1.00 0.31 N ATOM 1273 CA SER A 84 -4.730 -11.413 -35.720 1.00 0.25 C ATOM 1274 C SER A 84 -4.603 -11.670 -34.227 1.00 0.24 C ATOM 1275 O SER A 84 -4.493 -12.818 -33.794 1.00 0.30 O ATOM 1276 CB SER A 84 -6.064 -10.747 -36.045 1.00 0.27 C ATOM 1277 OG SER A 84 -6.220 -10.586 -37.447 1.00 1.08 O ATOM 0 H SER A 84 -5.195 -13.411 -36.147 1.00 0.31 H new ATOM 0 HA SER A 84 -3.926 -10.738 -36.014 1.00 0.25 H new ATOM 0 HB2 SER A 84 -6.882 -11.350 -35.651 1.00 0.27 H new ATOM 0 HB3 SER A 84 -6.119 -9.775 -35.555 1.00 0.27 H new ATOM 0 HG SER A 84 -5.432 -10.944 -37.907 1.00 1.08 H new ATOM 1283 N SER A 85 -4.620 -10.602 -33.445 1.00 0.20 N ATOM 1284 CA SER A 85 -4.478 -10.708 -32.005 1.00 0.20 C ATOM 1285 C SER A 85 -5.311 -9.636 -31.307 1.00 0.18 C ATOM 1286 O SER A 85 -5.634 -8.610 -31.908 1.00 0.26 O ATOM 1287 CB SER A 85 -3.002 -10.585 -31.620 1.00 0.25 C ATOM 1288 OG SER A 85 -2.400 -9.474 -32.262 1.00 0.87 O ATOM 0 H SER A 85 -4.731 -9.648 -33.788 1.00 0.20 H new ATOM 0 HA SER A 85 -4.844 -11.683 -31.682 1.00 0.20 H new ATOM 0 HB2 SER A 85 -2.912 -10.477 -30.539 1.00 0.25 H new ATOM 0 HB3 SER A 85 -2.474 -11.498 -31.894 1.00 0.25 H new ATOM 0 HG SER A 85 -1.458 -9.415 -31.999 1.00 0.87 H new ATOM 1294 N ALA A 86 -5.676 -9.893 -30.058 1.00 0.14 N ATOM 1295 CA ALA A 86 -6.427 -8.949 -29.263 1.00 0.12 C ATOM 1296 C ALA A 86 -5.486 -8.089 -28.442 1.00 0.13 C ATOM 1297 O ALA A 86 -4.739 -8.587 -27.605 1.00 0.17 O ATOM 1298 CB ALA A 86 -7.402 -9.680 -28.354 1.00 0.13 C ATOM 0 H ALA A 86 -5.457 -10.763 -29.574 1.00 0.14 H new ATOM 0 HA ALA A 86 -6.995 -8.304 -29.933 1.00 0.12 H new ATOM 0 HB1 ALA A 86 -7.960 -8.955 -27.761 1.00 0.13 H new ATOM 0 HB2 ALA A 86 -8.095 -10.265 -28.959 1.00 0.13 H new ATOM 0 HB3 ALA A 86 -6.851 -10.345 -27.689 1.00 0.13 H new ATOM 1304 N CYS A 87 -5.517 -6.803 -28.685 1.00 0.14 N ATOM 1305 CA CYS A 87 -4.697 -5.873 -27.937 1.00 0.17 C ATOM 1306 C CYS A 87 -5.594 -4.928 -27.169 1.00 0.17 C ATOM 1307 O CYS A 87 -6.663 -4.573 -27.657 1.00 0.21 O ATOM 1308 CB CYS A 87 -3.798 -5.084 -28.892 1.00 0.22 C ATOM 1309 SG CYS A 87 -2.491 -6.069 -29.655 1.00 0.68 S ATOM 0 H CYS A 87 -6.104 -6.371 -29.399 1.00 0.14 H new ATOM 0 HA CYS A 87 -4.066 -6.423 -27.239 1.00 0.17 H new ATOM 0 HB2 CYS A 87 -4.415 -4.647 -29.677 1.00 0.22 H new ATOM 0 HB3 CYS A 87 -3.344 -4.257 -28.347 1.00 0.22 H new ATOM 0 HG CYS A 87 -1.786 -5.316 -30.446 1.00 0.68 H new ATOM 1315 N ASN A 88 -5.172 -4.547 -25.966 1.00 0.17 N ATOM 1316 CA ASN A 88 -5.968 -3.670 -25.113 1.00 0.20 C ATOM 1317 C ASN A 88 -7.272 -4.382 -24.741 1.00 0.18 C ATOM 1318 O ASN A 88 -8.350 -4.030 -25.217 1.00 0.27 O ATOM 1319 CB ASN A 88 -6.244 -2.337 -25.826 1.00 0.27 C ATOM 1320 CG ASN A 88 -6.823 -1.257 -24.924 1.00 0.99 C ATOM 1321 OD1 ASN A 88 -7.670 -0.481 -25.357 1.00 1.82 O ATOM 1322 ND2 ASN A 88 -6.346 -1.171 -23.689 1.00 1.60 N ATOM 0 H ASN A 88 -4.281 -4.833 -25.560 1.00 0.17 H new ATOM 0 HA ASN A 88 -5.417 -3.445 -24.200 1.00 0.20 H new ATOM 0 HB2 ASN A 88 -5.314 -1.971 -26.262 1.00 0.27 H new ATOM 0 HB3 ASN A 88 -6.934 -2.515 -26.651 1.00 0.27 H new ATOM 0 HD21 ASN A 88 -6.683 -0.441 -23.062 1.00 1.60 H new ATOM 0 HD22 ASN A 88 -5.642 -1.835 -23.367 1.00 1.60 H new ATOM 1329 N VAL A 89 -7.141 -5.420 -23.927 1.00 0.14 N ATOM 1330 CA VAL A 89 -8.279 -6.222 -23.496 1.00 0.15 C ATOM 1331 C VAL A 89 -8.912 -5.630 -22.239 1.00 0.19 C ATOM 1332 O VAL A 89 -8.282 -5.550 -21.189 1.00 0.32 O ATOM 1333 CB VAL A 89 -7.864 -7.696 -23.234 1.00 0.15 C ATOM 1334 CG1 VAL A 89 -8.997 -8.488 -22.595 1.00 0.22 C ATOM 1335 CG2 VAL A 89 -7.424 -8.357 -24.532 1.00 0.14 C ATOM 0 H VAL A 89 -6.246 -5.730 -23.547 1.00 0.14 H new ATOM 0 HA VAL A 89 -9.012 -6.210 -24.302 1.00 0.15 H new ATOM 0 HB VAL A 89 -7.027 -7.689 -22.536 1.00 0.15 H new ATOM 0 HG11 VAL A 89 -8.673 -9.515 -22.425 1.00 0.22 H new ATOM 0 HG12 VAL A 89 -9.268 -8.031 -21.643 1.00 0.22 H new ATOM 0 HG13 VAL A 89 -9.862 -8.486 -23.258 1.00 0.22 H new ATOM 0 HG21 VAL A 89 -7.136 -9.390 -24.335 1.00 0.14 H new ATOM 0 HG22 VAL A 89 -8.247 -8.340 -25.246 1.00 0.14 H new ATOM 0 HG23 VAL A 89 -6.573 -7.815 -24.946 1.00 0.14 H new ATOM 1345 N LEU A 90 -10.156 -5.208 -22.364 1.00 0.11 N ATOM 1346 CA LEU A 90 -10.893 -4.616 -21.257 1.00 0.16 C ATOM 1347 C LEU A 90 -12.002 -5.544 -20.793 1.00 0.11 C ATOM 1348 O LEU A 90 -12.559 -6.298 -21.586 1.00 0.13 O ATOM 1349 CB LEU A 90 -11.512 -3.276 -21.664 1.00 0.26 C ATOM 1350 CG LEU A 90 -10.578 -2.058 -21.694 1.00 0.43 C ATOM 1351 CD1 LEU A 90 -10.015 -1.770 -20.314 1.00 0.99 C ATOM 1352 CD2 LEU A 90 -9.456 -2.258 -22.694 1.00 1.12 C ATOM 0 H LEU A 90 -10.686 -5.265 -23.234 1.00 0.11 H new ATOM 0 HA LEU A 90 -10.185 -4.455 -20.444 1.00 0.16 H new ATOM 0 HB2 LEU A 90 -11.949 -3.392 -22.656 1.00 0.26 H new ATOM 0 HB3 LEU A 90 -12.331 -3.059 -20.978 1.00 0.26 H new ATOM 0 HG LEU A 90 -11.167 -1.196 -22.009 1.00 0.43 H new ATOM 0 HD11 LEU A 90 -9.357 -0.903 -20.363 1.00 0.99 H new ATOM 0 HD12 LEU A 90 -10.833 -1.566 -19.623 1.00 0.99 H new ATOM 0 HD13 LEU A 90 -9.451 -2.634 -19.964 1.00 0.99 H new ATOM 0 HD21 LEU A 90 -8.809 -1.381 -22.695 1.00 1.12 H new ATOM 0 HD22 LEU A 90 -8.874 -3.137 -22.417 1.00 1.12 H new ATOM 0 HD23 LEU A 90 -9.877 -2.400 -23.689 1.00 1.12 H new ATOM 1364 N LYS A 91 -12.313 -5.484 -19.508 1.00 0.16 N ATOM 1365 CA LYS A 91 -13.408 -6.265 -18.949 1.00 0.18 C ATOM 1366 C LYS A 91 -14.740 -5.605 -19.285 1.00 0.18 C ATOM 1367 O LYS A 91 -14.936 -4.423 -19.016 1.00 0.32 O ATOM 1368 CB LYS A 91 -13.269 -6.370 -17.430 1.00 0.27 C ATOM 1369 CG LYS A 91 -13.330 -7.794 -16.901 1.00 0.45 C ATOM 1370 CD LYS A 91 -14.630 -8.493 -17.276 1.00 0.59 C ATOM 1371 CE LYS A 91 -15.828 -7.889 -16.561 1.00 0.71 C ATOM 1372 NZ LYS A 91 -17.060 -8.692 -16.772 1.00 1.33 N ATOM 0 H LYS A 91 -11.822 -4.901 -18.830 1.00 0.16 H new ATOM 0 HA LYS A 91 -13.373 -7.265 -19.381 1.00 0.18 H new ATOM 0 HB2 LYS A 91 -12.322 -5.922 -17.130 1.00 0.27 H new ATOM 0 HB3 LYS A 91 -14.060 -5.785 -16.962 1.00 0.27 H new ATOM 0 HG2 LYS A 91 -12.487 -8.362 -17.295 1.00 0.45 H new ATOM 0 HG3 LYS A 91 -13.226 -7.781 -15.816 1.00 0.45 H new ATOM 0 HD2 LYS A 91 -14.780 -8.427 -18.354 1.00 0.59 H new ATOM 0 HD3 LYS A 91 -14.556 -9.552 -17.029 1.00 0.59 H new ATOM 0 HE2 LYS A 91 -15.617 -7.820 -15.494 1.00 0.71 H new ATOM 0 HE3 LYS A 91 -15.991 -6.873 -16.920 1.00 0.71 H new ATOM 0 HZ1 LYS A 91 -17.854 -8.248 -16.269 1.00 1.33 H new ATOM 0 HZ2 LYS A 91 -17.275 -8.737 -17.788 1.00 1.33 H new ATOM 0 HZ3 LYS A 91 -16.914 -9.655 -16.407 1.00 1.33 H new ATOM 1386 N ILE A 92 -15.649 -6.362 -19.877 1.00 0.16 N ATOM 1387 CA ILE A 92 -16.960 -5.844 -20.226 1.00 0.18 C ATOM 1388 C ILE A 92 -18.044 -6.598 -19.456 1.00 0.27 C ATOM 1389 O ILE A 92 -17.954 -7.812 -19.277 1.00 0.28 O ATOM 1390 CB ILE A 92 -17.208 -5.949 -21.753 1.00 0.16 C ATOM 1391 CG1 ILE A 92 -16.179 -5.110 -22.522 1.00 0.15 C ATOM 1392 CG2 ILE A 92 -18.618 -5.510 -22.109 1.00 0.21 C ATOM 1393 CD1 ILE A 92 -16.239 -3.626 -22.215 1.00 0.16 C ATOM 0 H ILE A 92 -15.502 -7.340 -20.126 1.00 0.16 H new ATOM 0 HA ILE A 92 -16.999 -4.790 -19.950 1.00 0.18 H new ATOM 0 HB ILE A 92 -17.095 -6.994 -22.041 1.00 0.16 H new ATOM 0 HG12 ILE A 92 -15.180 -5.478 -22.291 1.00 0.15 H new ATOM 0 HG13 ILE A 92 -16.333 -5.256 -23.591 1.00 0.15 H new ATOM 0 HG21 ILE A 92 -18.764 -5.594 -23.186 1.00 0.21 H new ATOM 0 HG22 ILE A 92 -19.338 -6.146 -21.594 1.00 0.21 H new ATOM 0 HG23 ILE A 92 -18.765 -4.474 -21.802 1.00 0.21 H new ATOM 0 HD11 ILE A 92 -15.481 -3.103 -22.798 1.00 0.16 H new ATOM 0 HD12 ILE A 92 -17.225 -3.241 -22.473 1.00 0.16 H new ATOM 0 HD13 ILE A 92 -16.054 -3.466 -21.153 1.00 0.16 H new