USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=18 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= 0.0703 USER MOD Set 1.2: A 84 SER OG : rot 180:sc= 0.0217 USER MOD Set 2.1: A 78 ASN :FLIP amide:sc= -0.0124 F(o=-1.1,f=-0.015) USER MOD Set 2.2: A 85 SER OG : rot 180:sc=-0.00241 USER MOD Set 3.1: A 66 HIS : no HD1:sc= 0 X(o=0.97,f=0.78) USER MOD Set 3.2: A 91 LYS NZ :NH3+ -168:sc= 0.967 (180deg=0.785) USER MOD Set 4.1: A 42 ASN : amide:sc= 0.595 K(o=2.4,f=-2.4) USER MOD Set 4.2: A 50 LYS NZ :NH3+ 146:sc= 1.82 (180deg=0.737) USER MOD Single : A 25 GLN : amide:sc= -0.36 X(o=-0.36,f=-0.1) USER MOD Single : A 26 LYS NZ :NH3+ -169:sc= -0.217 (180deg=-0.949!) 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 20:sc= 1.2 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ -157:sc= 1.23 (180deg=1.21) USER MOD Single : A 54 HIS : no HE2:sc= -0.675 X(o=-0.67,f=-0.92) USER MOD Single : A 55 MET CE :methyl -152:sc= 0 (180deg=-0.00338) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.212 K(o=-0.21,f=-1.4!) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc=-0.00618 K(o=-0.0062,f=-1) USER MOD Single : A 81 ASN : amide:sc= -2.14! C(o=-2.1!,f=-4.8!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 CYS SG : rot 180:sc= 0 USER MOD Single : A 88 ASN :FLIP amide:sc=-0.00362 F(o=-1.1,f=-0.0036) USER MOD ----------------------------------------------------------------- ATOM 348 N GLN A 25 -9.665 0.511 -34.135 1.00 0.44 N ATOM 349 CA GLN A 25 -10.572 -0.626 -34.219 1.00 0.43 C ATOM 350 C GLN A 25 -10.611 -1.380 -32.899 1.00 0.37 C ATOM 351 O GLN A 25 -9.680 -2.116 -32.570 1.00 0.49 O ATOM 352 CB GLN A 25 -10.139 -1.586 -35.329 1.00 0.48 C ATOM 353 CG GLN A 25 -11.241 -2.539 -35.772 1.00 0.64 C ATOM 354 CD GLN A 25 -12.353 -1.826 -36.525 1.00 0.76 C ATOM 355 OE1 GLN A 25 -12.307 -1.712 -37.750 1.00 1.28 O ATOM 356 NE2 GLN A 25 -13.361 -1.354 -35.807 1.00 1.34 N ATOM 0 HA GLN A 25 -11.566 -0.239 -34.445 1.00 0.43 H new ATOM 0 HB2 GLN A 25 -9.803 -1.007 -36.189 1.00 0.48 H new ATOM 0 HB3 GLN A 25 -9.284 -2.167 -34.983 1.00 0.48 H new ATOM 0 HG2 GLN A 25 -10.814 -3.314 -36.408 1.00 0.64 H new ATOM 0 HG3 GLN A 25 -11.659 -3.038 -34.898 1.00 0.64 H new ATOM 0 HE21 GLN A 25 -13.363 -1.468 -34.793 1.00 1.34 H new ATOM 0 HE22 GLN A 25 -14.136 -0.876 -36.268 1.00 1.34 H new ATOM 365 N LYS A 26 -11.682 -1.194 -32.141 1.00 0.26 N ATOM 366 CA LYS A 26 -11.858 -1.918 -30.892 1.00 0.21 C ATOM 367 C LYS A 26 -13.100 -2.807 -30.961 1.00 0.24 C ATOM 368 O LYS A 26 -14.228 -2.317 -31.042 1.00 0.43 O ATOM 369 CB LYS A 26 -11.947 -0.941 -29.715 1.00 0.30 C ATOM 370 CG LYS A 26 -10.773 0.028 -29.646 1.00 0.69 C ATOM 371 CD LYS A 26 -10.942 1.063 -28.542 1.00 1.08 C ATOM 372 CE LYS A 26 -10.877 0.439 -27.155 1.00 1.59 C ATOM 373 NZ LYS A 26 -12.140 0.649 -26.399 1.00 2.11 N ATOM 0 H LYS A 26 -12.440 -0.550 -32.369 1.00 0.26 H new ATOM 0 HA LYS A 26 -10.991 -2.559 -30.735 1.00 0.21 H new ATOM 0 HB2 LYS A 26 -12.874 -0.373 -29.793 1.00 0.30 H new ATOM 0 HB3 LYS A 26 -11.997 -1.507 -28.785 1.00 0.30 H new ATOM 0 HG2 LYS A 26 -9.853 -0.531 -29.479 1.00 0.69 H new ATOM 0 HG3 LYS A 26 -10.667 0.536 -30.604 1.00 0.69 H new ATOM 0 HD2 LYS A 26 -10.164 1.821 -28.635 1.00 1.08 H new ATOM 0 HD3 LYS A 26 -11.898 1.571 -28.666 1.00 1.08 H new ATOM 0 HE2 LYS A 26 -10.680 -0.629 -27.245 1.00 1.59 H new ATOM 0 HE3 LYS A 26 -10.044 0.871 -26.600 1.00 1.59 H new ATOM 0 HZ1 LYS A 26 -11.998 0.380 -25.404 1.00 2.11 H new ATOM 0 HZ2 LYS A 26 -12.413 1.651 -26.451 1.00 2.11 H new ATOM 0 HZ3 LYS A 26 -12.893 0.063 -26.812 1.00 2.11 H new ATOM 387 N LYS A 27 -12.878 -4.113 -30.952 1.00 0.12 N ATOM 388 CA LYS A 27 -13.950 -5.092 -31.048 1.00 0.12 C ATOM 389 C LYS A 27 -14.371 -5.583 -29.662 1.00 0.13 C ATOM 390 O LYS A 27 -13.624 -5.451 -28.698 1.00 0.19 O ATOM 391 CB LYS A 27 -13.480 -6.279 -31.894 1.00 0.14 C ATOM 392 CG LYS A 27 -13.398 -5.995 -33.384 1.00 0.19 C ATOM 393 CD LYS A 27 -14.767 -5.684 -33.972 1.00 0.28 C ATOM 394 CE LYS A 27 -14.672 -5.384 -35.459 1.00 0.44 C ATOM 395 NZ LYS A 27 -16.005 -5.118 -36.071 1.00 1.27 N ATOM 0 H LYS A 27 -11.948 -4.524 -30.878 1.00 0.12 H new ATOM 0 HA LYS A 27 -14.811 -4.618 -31.518 1.00 0.12 H new ATOM 0 HB2 LYS A 27 -12.498 -6.594 -31.542 1.00 0.14 H new ATOM 0 HB3 LYS A 27 -14.160 -7.116 -31.733 1.00 0.14 H new ATOM 0 HG2 LYS A 27 -12.727 -5.154 -33.558 1.00 0.19 H new ATOM 0 HG3 LYS A 27 -12.969 -6.856 -33.896 1.00 0.19 H new ATOM 0 HD2 LYS A 27 -15.435 -6.530 -33.811 1.00 0.28 H new ATOM 0 HD3 LYS A 27 -15.203 -4.830 -33.453 1.00 0.28 H new ATOM 0 HE2 LYS A 27 -14.026 -4.520 -35.612 1.00 0.44 H new ATOM 0 HE3 LYS A 27 -14.203 -6.226 -35.968 1.00 0.44 H new ATOM 0 HZ1 LYS A 27 -15.888 -4.919 -37.085 1.00 1.27 H new ATOM 0 HZ2 LYS A 27 -16.615 -5.952 -35.950 1.00 1.27 H new ATOM 0 HZ3 LYS A 27 -16.443 -4.298 -35.605 1.00 1.27 H new ATOM 409 N ARG A 28 -15.568 -6.155 -29.570 1.00 0.10 N ATOM 410 CA ARG A 28 -16.051 -6.725 -28.315 1.00 0.12 C ATOM 411 C ARG A 28 -16.628 -8.121 -28.525 1.00 0.09 C ATOM 412 O ARG A 28 -17.487 -8.330 -29.380 1.00 0.15 O ATOM 413 CB ARG A 28 -17.085 -5.808 -27.647 1.00 0.19 C ATOM 414 CG ARG A 28 -16.444 -4.679 -26.864 1.00 0.29 C ATOM 415 CD ARG A 28 -17.438 -3.931 -25.993 1.00 0.29 C ATOM 416 NE ARG A 28 -18.319 -3.042 -26.755 1.00 0.74 N ATOM 417 CZ ARG A 28 -18.133 -1.723 -26.854 1.00 1.15 C ATOM 418 NH1 ARG A 28 -17.031 -1.153 -26.370 1.00 1.40 N ATOM 419 NH2 ARG A 28 -19.037 -0.971 -27.472 1.00 1.65 N ATOM 0 H ARG A 28 -16.222 -6.236 -30.349 1.00 0.10 H new ATOM 0 HA ARG A 28 -15.194 -6.811 -27.647 1.00 0.12 H new ATOM 0 HB2 ARG A 28 -17.741 -5.389 -28.410 1.00 0.19 H new ATOM 0 HB3 ARG A 28 -17.711 -6.399 -26.979 1.00 0.19 H new ATOM 0 HG2 ARG A 28 -15.650 -5.083 -26.237 1.00 0.29 H new ATOM 0 HG3 ARG A 28 -15.978 -3.980 -27.558 1.00 0.29 H new ATOM 0 HD2 ARG A 28 -18.045 -4.652 -25.445 1.00 0.29 H new ATOM 0 HD3 ARG A 28 -16.893 -3.345 -25.253 1.00 0.29 H new ATOM 0 HE ARG A 28 -19.119 -3.453 -27.237 1.00 0.74 H new ATOM 0 HH11 ARG A 28 -16.318 -1.725 -25.918 1.00 1.40 H new ATOM 0 HH12 ARG A 28 -16.900 -0.145 -26.452 1.00 1.40 H new ATOM 0 HH21 ARG A 28 -19.872 -1.401 -27.870 1.00 1.65 H new ATOM 0 HH22 ARG A 28 -18.896 0.036 -27.548 1.00 1.65 H new ATOM 433 N ALA A 29 -16.145 -9.066 -27.730 1.00 0.08 N ATOM 434 CA ALA A 29 -16.554 -10.463 -27.819 1.00 0.07 C ATOM 435 C ALA A 29 -16.348 -11.134 -26.474 1.00 0.06 C ATOM 436 O ALA A 29 -15.912 -10.496 -25.518 1.00 0.08 O ATOM 437 CB ALA A 29 -15.782 -11.201 -28.916 1.00 0.08 C ATOM 0 H ALA A 29 -15.455 -8.885 -27.001 1.00 0.08 H new ATOM 0 HA ALA A 29 -17.611 -10.502 -28.084 1.00 0.07 H new ATOM 0 HB1 ALA A 29 -16.110 -12.240 -28.956 1.00 0.08 H new ATOM 0 HB2 ALA A 29 -15.970 -10.723 -29.878 1.00 0.08 H new ATOM 0 HB3 ALA A 29 -14.715 -11.166 -28.696 1.00 0.08 H new ATOM 443 N THR A 30 -16.674 -12.406 -26.389 1.00 0.06 N ATOM 444 CA THR A 30 -16.538 -13.136 -25.145 1.00 0.06 C ATOM 445 C THR A 30 -15.306 -14.029 -25.197 1.00 0.06 C ATOM 446 O THR A 30 -14.956 -14.548 -26.264 1.00 0.08 O ATOM 447 CB THR A 30 -17.784 -14.001 -24.877 1.00 0.08 C ATOM 448 OG1 THR A 30 -18.851 -13.591 -25.742 1.00 0.14 O ATOM 449 CG2 THR A 30 -18.232 -13.871 -23.434 1.00 0.11 C ATOM 0 H THR A 30 -17.036 -12.957 -27.167 1.00 0.06 H new ATOM 0 HA THR A 30 -16.433 -12.412 -24.337 1.00 0.06 H new ATOM 0 HB THR A 30 -17.526 -15.042 -25.071 1.00 0.08 H new ATOM 0 HG1 THR A 30 -19.642 -14.144 -25.571 1.00 0.14 H new ATOM 0 HG21 THR A 30 -19.113 -14.491 -23.269 1.00 0.11 H new ATOM 0 HG22 THR A 30 -17.429 -14.198 -22.773 1.00 0.11 H new ATOM 0 HG23 THR A 30 -18.476 -12.830 -23.221 1.00 0.11 H new ATOM 457 N VAL A 31 -14.635 -14.189 -24.062 1.00 0.08 N ATOM 458 CA VAL A 31 -13.489 -15.081 -23.980 1.00 0.10 C ATOM 459 C VAL A 31 -13.933 -16.513 -24.188 1.00 0.11 C ATOM 460 O VAL A 31 -14.762 -17.032 -23.443 1.00 0.14 O ATOM 461 CB VAL A 31 -12.760 -14.982 -22.626 1.00 0.11 C ATOM 462 CG1 VAL A 31 -11.529 -15.873 -22.612 1.00 0.14 C ATOM 463 CG2 VAL A 31 -12.377 -13.553 -22.327 1.00 0.13 C ATOM 0 H VAL A 31 -14.865 -13.713 -23.190 1.00 0.08 H new ATOM 0 HA VAL A 31 -12.795 -14.774 -24.762 1.00 0.10 H new ATOM 0 HB VAL A 31 -13.443 -15.325 -21.849 1.00 0.11 H new ATOM 0 HG11 VAL A 31 -11.029 -15.788 -21.647 1.00 0.14 H new ATOM 0 HG12 VAL A 31 -11.827 -16.908 -22.776 1.00 0.14 H new ATOM 0 HG13 VAL A 31 -10.846 -15.563 -23.403 1.00 0.14 H new ATOM 0 HG21 VAL A 31 -11.864 -13.507 -21.366 1.00 0.13 H new ATOM 0 HG22 VAL A 31 -11.716 -13.182 -23.110 1.00 0.13 H new ATOM 0 HG23 VAL A 31 -13.275 -12.936 -22.288 1.00 0.13 H new ATOM 473 N ASP A 32 -13.379 -17.131 -25.209 1.00 0.12 N ATOM 474 CA ASP A 32 -13.686 -18.507 -25.544 1.00 0.15 C ATOM 475 C ASP A 32 -13.089 -19.434 -24.492 1.00 0.15 C ATOM 476 O ASP A 32 -13.756 -20.351 -24.011 1.00 0.19 O ATOM 477 CB ASP A 32 -13.136 -18.829 -26.942 1.00 0.21 C ATOM 478 CG ASP A 32 -13.281 -20.291 -27.318 1.00 0.34 C ATOM 479 OD1 ASP A 32 -12.375 -21.089 -27.001 1.00 0.46 O ATOM 480 OD2 ASP A 32 -14.299 -20.648 -27.944 1.00 0.60 O ATOM 0 H ASP A 32 -12.701 -16.693 -25.833 1.00 0.12 H new ATOM 0 HA ASP A 32 -14.766 -18.655 -25.557 1.00 0.15 H new ATOM 0 HB2 ASP A 32 -13.656 -18.217 -27.680 1.00 0.21 H new ATOM 0 HB3 ASP A 32 -12.083 -18.552 -26.984 1.00 0.21 H new ATOM 485 N SER A 33 -11.837 -19.147 -24.117 1.00 0.14 N ATOM 486 CA SER A 33 -11.107 -19.911 -23.108 1.00 0.18 C ATOM 487 C SER A 33 -9.777 -19.228 -22.802 1.00 0.13 C ATOM 488 O SER A 33 -9.377 -18.296 -23.502 1.00 0.14 O ATOM 489 CB SER A 33 -10.862 -21.357 -23.562 1.00 0.27 C ATOM 490 OG SER A 33 -12.033 -22.146 -23.435 1.00 1.07 O ATOM 0 H SER A 33 -11.302 -18.373 -24.510 1.00 0.14 H new ATOM 0 HA SER A 33 -11.717 -19.944 -22.206 1.00 0.18 H new ATOM 0 HB2 SER A 33 -10.529 -21.362 -24.600 1.00 0.27 H new ATOM 0 HB3 SER A 33 -10.060 -21.795 -22.968 1.00 0.27 H new ATOM 0 HG SER A 33 -12.818 -21.561 -23.388 1.00 1.07 H new ATOM 496 N ILE A 34 -9.104 -19.680 -21.752 1.00 0.16 N ATOM 497 CA ILE A 34 -7.820 -19.120 -21.357 1.00 0.14 C ATOM 498 C ILE A 34 -6.848 -20.237 -20.993 1.00 0.16 C ATOM 499 O ILE A 34 -7.210 -21.192 -20.308 1.00 0.19 O ATOM 500 CB ILE A 34 -7.979 -18.112 -20.189 1.00 0.16 C ATOM 501 CG1 ILE A 34 -8.333 -16.726 -20.745 1.00 0.14 C ATOM 502 CG2 ILE A 34 -6.720 -18.039 -19.332 1.00 0.19 C ATOM 503 CD1 ILE A 34 -8.533 -15.658 -19.688 1.00 0.17 C ATOM 0 H ILE A 34 -9.430 -20.440 -21.155 1.00 0.16 H new ATOM 0 HA ILE A 34 -7.411 -18.570 -22.205 1.00 0.14 H new ATOM 0 HB ILE A 34 -8.788 -18.461 -19.547 1.00 0.16 H new ATOM 0 HG12 ILE A 34 -7.540 -16.406 -21.421 1.00 0.14 H new ATOM 0 HG13 ILE A 34 -9.244 -16.808 -21.338 1.00 0.14 H new ATOM 0 HG21 ILE A 34 -6.871 -17.322 -18.525 1.00 0.19 H new ATOM 0 HG22 ILE A 34 -6.509 -19.022 -18.910 1.00 0.19 H new ATOM 0 HG23 ILE A 34 -5.879 -17.720 -19.948 1.00 0.19 H new ATOM 0 HD11 ILE A 34 -8.780 -14.712 -20.169 1.00 0.17 H new ATOM 0 HD12 ILE A 34 -9.347 -15.951 -19.024 1.00 0.17 H new ATOM 0 HD13 ILE A 34 -7.617 -15.543 -19.109 1.00 0.17 H new ATOM 515 N LYS A 35 -5.624 -20.113 -21.486 1.00 0.17 N ATOM 516 CA LYS A 35 -4.588 -21.107 -21.277 1.00 0.21 C ATOM 517 C LYS A 35 -3.361 -20.462 -20.640 1.00 0.20 C ATOM 518 O LYS A 35 -2.545 -19.852 -21.333 1.00 0.22 O ATOM 519 CB LYS A 35 -4.195 -21.742 -22.613 1.00 0.24 C ATOM 520 CG LYS A 35 -5.344 -22.449 -23.304 1.00 0.34 C ATOM 521 CD LYS A 35 -5.815 -23.645 -22.500 1.00 0.47 C ATOM 522 CE LYS A 35 -7.154 -24.135 -23.002 1.00 0.64 C ATOM 523 NZ LYS A 35 -7.582 -25.389 -22.333 1.00 1.56 N ATOM 0 H LYS A 35 -5.323 -19.315 -22.045 1.00 0.17 H new ATOM 0 HA LYS A 35 -4.974 -21.878 -20.610 1.00 0.21 H new ATOM 0 HB2 LYS A 35 -3.804 -20.968 -23.274 1.00 0.24 H new ATOM 0 HB3 LYS A 35 -3.388 -22.455 -22.445 1.00 0.24 H new ATOM 0 HG2 LYS A 35 -6.171 -21.753 -23.444 1.00 0.34 H new ATOM 0 HG3 LYS A 35 -5.030 -22.775 -24.296 1.00 0.34 H new ATOM 0 HD2 LYS A 35 -5.080 -24.447 -22.568 1.00 0.47 H new ATOM 0 HD3 LYS A 35 -5.893 -23.373 -21.447 1.00 0.47 H new ATOM 0 HE2 LYS A 35 -7.906 -23.363 -22.837 1.00 0.64 H new ATOM 0 HE3 LYS A 35 -7.098 -24.301 -24.078 1.00 0.64 H new ATOM 0 HZ1 LYS A 35 -8.505 -25.686 -22.710 1.00 1.56 H new ATOM 0 HZ2 LYS A 35 -6.879 -26.135 -22.511 1.00 1.56 H new ATOM 0 HZ3 LYS A 35 -7.662 -25.226 -21.309 1.00 1.56 H new ATOM 537 N GLY A 36 -3.244 -20.572 -19.325 1.00 0.25 N ATOM 538 CA GLY A 36 -2.111 -19.991 -18.628 1.00 0.28 C ATOM 539 C GLY A 36 -2.101 -18.477 -18.703 1.00 0.24 C ATOM 540 O GLY A 36 -2.915 -17.814 -18.065 1.00 0.29 O ATOM 0 H GLY A 36 -3.914 -21.054 -18.726 1.00 0.25 H new ATOM 0 HA2 GLY A 36 -2.133 -20.300 -17.583 1.00 0.28 H new ATOM 0 HA3 GLY A 36 -1.187 -20.379 -19.056 1.00 0.28 H new ATOM 544 N GLN A 37 -1.187 -17.936 -19.500 1.00 0.21 N ATOM 545 CA GLN A 37 -1.050 -16.489 -19.647 1.00 0.20 C ATOM 546 C GLN A 37 -1.754 -16.006 -20.904 1.00 0.17 C ATOM 547 O GLN A 37 -1.688 -14.828 -21.243 1.00 0.21 O ATOM 548 CB GLN A 37 0.426 -16.087 -19.736 1.00 0.24 C ATOM 549 CG GLN A 37 1.293 -16.615 -18.609 1.00 0.36 C ATOM 550 CD GLN A 37 2.729 -16.136 -18.705 1.00 1.27 C ATOM 551 OE1 GLN A 37 3.571 -16.776 -19.337 1.00 2.10 O ATOM 552 NE2 GLN A 37 3.023 -15.011 -18.069 1.00 1.94 N ATOM 0 H GLN A 37 -0.527 -18.479 -20.057 1.00 0.21 H new ATOM 0 HA GLN A 37 -1.504 -16.030 -18.769 1.00 0.20 H new ATOM 0 HB2 GLN A 37 0.829 -16.442 -20.684 1.00 0.24 H new ATOM 0 HB3 GLN A 37 0.493 -14.999 -19.749 1.00 0.24 H new ATOM 0 HG2 GLN A 37 0.872 -16.301 -17.654 1.00 0.36 H new ATOM 0 HG3 GLN A 37 1.276 -17.705 -18.622 1.00 0.36 H new ATOM 0 HE21 GLN A 37 2.297 -14.510 -17.557 1.00 1.94 H new ATOM 0 HE22 GLN A 37 3.975 -14.646 -18.092 1.00 1.94 H new ATOM 561 N PHE A 38 -2.426 -16.904 -21.599 1.00 0.13 N ATOM 562 CA PHE A 38 -2.976 -16.568 -22.893 1.00 0.11 C ATOM 563 C PHE A 38 -4.458 -16.817 -22.934 1.00 0.10 C ATOM 564 O PHE A 38 -4.953 -17.780 -22.365 1.00 0.12 O ATOM 565 CB PHE A 38 -2.261 -17.349 -23.996 1.00 0.13 C ATOM 566 CG PHE A 38 -0.806 -17.002 -24.074 1.00 0.18 C ATOM 567 CD1 PHE A 38 -0.377 -15.955 -24.865 1.00 0.21 C ATOM 568 CD2 PHE A 38 0.125 -17.700 -23.321 1.00 0.23 C ATOM 569 CE1 PHE A 38 0.956 -15.603 -24.903 1.00 0.28 C ATOM 570 CE2 PHE A 38 1.459 -17.358 -23.361 1.00 0.29 C ATOM 571 CZ PHE A 38 1.874 -16.306 -24.151 1.00 0.32 C ATOM 0 H PHE A 38 -2.602 -17.861 -21.292 1.00 0.13 H new ATOM 0 HA PHE A 38 -2.815 -15.504 -23.064 1.00 0.11 H new ATOM 0 HB2 PHE A 38 -2.370 -18.418 -23.813 1.00 0.13 H new ATOM 0 HB3 PHE A 38 -2.736 -17.140 -24.955 1.00 0.13 H new ATOM 0 HD1 PHE A 38 -1.092 -15.406 -25.460 1.00 0.21 H new ATOM 0 HD2 PHE A 38 -0.198 -18.520 -22.697 1.00 0.23 H new ATOM 0 HE1 PHE A 38 1.280 -14.778 -25.520 1.00 0.28 H new ATOM 0 HE2 PHE A 38 2.178 -17.912 -22.776 1.00 0.29 H new ATOM 0 HZ PHE A 38 2.918 -16.033 -24.181 1.00 0.32 H new ATOM 581 N GLY A 39 -5.162 -15.930 -23.590 1.00 0.09 N ATOM 582 CA GLY A 39 -6.583 -16.076 -23.718 1.00 0.09 C ATOM 583 C GLY A 39 -7.005 -16.063 -25.157 1.00 0.09 C ATOM 584 O GLY A 39 -6.292 -15.545 -26.014 1.00 0.11 O ATOM 0 H GLY A 39 -4.773 -15.102 -24.041 1.00 0.09 H new ATOM 0 HA2 GLY A 39 -6.898 -17.010 -23.253 1.00 0.09 H new ATOM 0 HA3 GLY A 39 -7.083 -15.269 -23.183 1.00 0.09 H new ATOM 588 N PHE A 40 -8.142 -16.653 -25.428 1.00 0.09 N ATOM 589 CA PHE A 40 -8.683 -16.677 -26.766 1.00 0.10 C ATOM 590 C PHE A 40 -10.126 -16.231 -26.726 1.00 0.10 C ATOM 591 O PHE A 40 -10.856 -16.561 -25.794 1.00 0.18 O ATOM 592 CB PHE A 40 -8.584 -18.084 -27.367 1.00 0.12 C ATOM 593 CG PHE A 40 -7.183 -18.622 -27.422 1.00 0.12 C ATOM 594 CD1 PHE A 40 -6.623 -19.244 -26.314 1.00 0.14 C ATOM 595 CD2 PHE A 40 -6.424 -18.508 -28.576 1.00 0.13 C ATOM 596 CE1 PHE A 40 -5.338 -19.743 -26.355 1.00 0.16 C ATOM 597 CE2 PHE A 40 -5.134 -19.008 -28.623 1.00 0.16 C ATOM 598 CZ PHE A 40 -4.592 -19.626 -27.510 1.00 0.17 C ATOM 0 H PHE A 40 -8.717 -17.128 -24.732 1.00 0.09 H new ATOM 0 HA PHE A 40 -8.106 -15.999 -27.394 1.00 0.10 H new ATOM 0 HB2 PHE A 40 -9.202 -18.764 -26.780 1.00 0.12 H new ATOM 0 HB3 PHE A 40 -8.997 -18.068 -28.376 1.00 0.12 H new ATOM 0 HD1 PHE A 40 -7.202 -19.338 -25.407 1.00 0.14 H new ATOM 0 HD2 PHE A 40 -6.843 -18.025 -29.446 1.00 0.13 H new ATOM 0 HE1 PHE A 40 -4.916 -20.224 -25.485 1.00 0.16 H new ATOM 0 HE2 PHE A 40 -4.551 -18.916 -29.528 1.00 0.16 H new ATOM 0 HZ PHE A 40 -3.586 -20.017 -27.545 1.00 0.17 H new ATOM 608 N LEU A 41 -10.529 -15.475 -27.721 1.00 0.10 N ATOM 609 CA LEU A 41 -11.880 -14.959 -27.777 1.00 0.09 C ATOM 610 C LEU A 41 -12.626 -15.606 -28.919 1.00 0.09 C ATOM 611 O LEU A 41 -12.012 -16.083 -29.877 1.00 0.13 O ATOM 612 CB LEU A 41 -11.857 -13.440 -27.948 1.00 0.09 C ATOM 613 CG LEU A 41 -10.785 -12.733 -27.125 1.00 0.15 C ATOM 614 CD1 LEU A 41 -10.489 -11.361 -27.686 1.00 0.59 C ATOM 615 CD2 LEU A 41 -11.224 -12.635 -25.683 1.00 0.53 C ATOM 0 H LEU A 41 -9.939 -15.202 -28.507 1.00 0.10 H new ATOM 0 HA LEU A 41 -12.391 -15.194 -26.843 1.00 0.09 H new ATOM 0 HB2 LEU A 41 -11.703 -13.207 -29.002 1.00 0.09 H new ATOM 0 HB3 LEU A 41 -12.833 -13.040 -27.673 1.00 0.09 H new ATOM 0 HG LEU A 41 -9.867 -13.319 -27.176 1.00 0.15 H new ATOM 0 HD11 LEU A 41 -9.721 -10.878 -27.081 1.00 0.59 H new ATOM 0 HD12 LEU A 41 -10.135 -11.456 -28.713 1.00 0.59 H new ATOM 0 HD13 LEU A 41 -11.397 -10.758 -27.670 1.00 0.59 H new ATOM 0 HD21 LEU A 41 -10.453 -12.129 -25.102 1.00 0.53 H new ATOM 0 HD22 LEU A 41 -12.154 -12.069 -25.623 1.00 0.53 H new ATOM 0 HD23 LEU A 41 -11.382 -13.636 -25.282 1.00 0.53 H new ATOM 627 N ASN A 42 -13.942 -15.632 -28.825 1.00 0.11 N ATOM 628 CA ASN A 42 -14.743 -16.212 -29.882 1.00 0.15 C ATOM 629 C ASN A 42 -14.854 -15.230 -31.038 1.00 0.14 C ATOM 630 O ASN A 42 -15.885 -14.592 -31.244 1.00 0.17 O ATOM 631 CB ASN A 42 -16.131 -16.609 -29.383 1.00 0.22 C ATOM 632 CG ASN A 42 -16.884 -17.440 -30.405 1.00 0.79 C ATOM 633 OD1 ASN A 42 -16.284 -18.204 -31.163 1.00 1.53 O ATOM 634 ND2 ASN A 42 -18.198 -17.286 -30.438 1.00 1.37 N ATOM 0 H ASN A 42 -14.473 -15.262 -28.036 1.00 0.11 H new ATOM 0 HA ASN A 42 -14.248 -17.121 -30.225 1.00 0.15 H new ATOM 0 HB2 ASN A 42 -16.035 -17.174 -28.456 1.00 0.22 H new ATOM 0 HB3 ASN A 42 -16.704 -15.711 -29.152 1.00 0.22 H new ATOM 0 HD21 ASN A 42 -18.756 -17.812 -31.111 1.00 1.37 H new ATOM 0 HD22 ASN A 42 -18.652 -16.642 -29.791 1.00 1.37 H new ATOM 641 N PHE A 43 -13.753 -15.087 -31.750 1.00 0.12 N ATOM 642 CA PHE A 43 -13.686 -14.232 -32.914 1.00 0.13 C ATOM 643 C PHE A 43 -12.803 -14.910 -33.951 1.00 0.16 C ATOM 644 O PHE A 43 -11.576 -14.863 -33.855 1.00 0.18 O ATOM 645 CB PHE A 43 -13.119 -12.855 -32.542 1.00 0.12 C ATOM 646 CG PHE A 43 -13.357 -11.802 -33.590 1.00 0.16 C ATOM 647 CD1 PHE A 43 -14.426 -10.929 -33.474 1.00 0.21 C ATOM 648 CD2 PHE A 43 -12.517 -11.685 -34.688 1.00 0.22 C ATOM 649 CE1 PHE A 43 -14.655 -9.959 -34.429 1.00 0.27 C ATOM 650 CE2 PHE A 43 -12.741 -10.715 -35.650 1.00 0.27 C ATOM 651 CZ PHE A 43 -13.810 -9.851 -35.520 1.00 0.28 C ATOM 0 H PHE A 43 -12.877 -15.564 -31.534 1.00 0.12 H new ATOM 0 HA PHE A 43 -14.686 -14.077 -33.319 1.00 0.13 H new ATOM 0 HB2 PHE A 43 -13.566 -12.529 -31.603 1.00 0.12 H new ATOM 0 HB3 PHE A 43 -12.047 -12.948 -32.369 1.00 0.12 H new ATOM 0 HD1 PHE A 43 -15.089 -11.008 -32.625 1.00 0.21 H new ATOM 0 HD2 PHE A 43 -11.679 -12.358 -34.793 1.00 0.22 H new ATOM 0 HE1 PHE A 43 -15.493 -9.285 -34.325 1.00 0.27 H new ATOM 0 HE2 PHE A 43 -12.081 -10.634 -36.501 1.00 0.27 H new ATOM 0 HZ PHE A 43 -13.987 -9.092 -36.268 1.00 0.28 H new ATOM 661 N GLU A 44 -13.425 -15.573 -34.910 1.00 0.23 N ATOM 662 CA GLU A 44 -12.694 -16.364 -35.889 1.00 0.30 C ATOM 663 C GLU A 44 -12.394 -15.545 -37.134 1.00 0.29 C ATOM 664 O GLU A 44 -13.272 -15.289 -37.960 1.00 0.39 O ATOM 665 CB GLU A 44 -13.491 -17.619 -36.229 1.00 0.44 C ATOM 666 CG GLU A 44 -13.949 -18.359 -34.985 1.00 0.60 C ATOM 667 CD GLU A 44 -14.556 -19.709 -35.279 1.00 1.14 C ATOM 668 OE1 GLU A 44 -14.205 -20.679 -34.578 1.00 1.81 O ATOM 669 OE2 GLU A 44 -15.384 -19.809 -36.204 1.00 1.57 O ATOM 0 H GLU A 44 -14.437 -15.580 -35.033 1.00 0.23 H new ATOM 0 HA GLU A 44 -11.737 -16.664 -35.462 1.00 0.30 H new ATOM 0 HB2 GLU A 44 -14.360 -17.345 -36.828 1.00 0.44 H new ATOM 0 HB3 GLU A 44 -12.879 -18.282 -36.840 1.00 0.44 H new ATOM 0 HG2 GLU A 44 -13.099 -18.489 -34.315 1.00 0.60 H new ATOM 0 HG3 GLU A 44 -14.680 -17.748 -34.456 1.00 0.60 H new ATOM 676 N VAL A 45 -11.144 -15.127 -37.251 1.00 0.30 N ATOM 677 CA VAL A 45 -10.721 -14.268 -38.348 1.00 0.38 C ATOM 678 C VAL A 45 -10.654 -15.037 -39.670 1.00 0.45 C ATOM 679 O VAL A 45 -10.958 -14.491 -40.729 1.00 0.58 O ATOM 680 CB VAL A 45 -9.355 -13.601 -38.044 1.00 0.44 C ATOM 681 CG1 VAL A 45 -9.443 -12.775 -36.770 1.00 0.85 C ATOM 682 CG2 VAL A 45 -8.245 -14.636 -37.922 1.00 0.71 C ATOM 0 H VAL A 45 -10.400 -15.370 -36.597 1.00 0.30 H new ATOM 0 HA VAL A 45 -11.472 -13.484 -38.450 1.00 0.38 H new ATOM 0 HB VAL A 45 -9.112 -12.945 -38.880 1.00 0.44 H new ATOM 0 HG11 VAL A 45 -8.477 -12.312 -36.569 1.00 0.85 H new ATOM 0 HG12 VAL A 45 -10.199 -11.999 -36.891 1.00 0.85 H new ATOM 0 HG13 VAL A 45 -9.717 -13.421 -35.936 1.00 0.85 H new ATOM 0 HG21 VAL A 45 -7.301 -14.134 -37.709 1.00 0.71 H new ATOM 0 HG22 VAL A 45 -8.479 -15.327 -37.112 1.00 0.71 H new ATOM 0 HG23 VAL A 45 -8.159 -15.189 -38.857 1.00 0.71 H new ATOM 692 N GLU A 46 -10.282 -16.310 -39.600 1.00 0.51 N ATOM 693 CA GLU A 46 -10.151 -17.143 -40.778 1.00 0.61 C ATOM 694 C GLU A 46 -10.324 -18.618 -40.420 1.00 0.62 C ATOM 695 O GLU A 46 -9.573 -19.140 -39.609 1.00 0.97 O ATOM 696 CB GLU A 46 -8.768 -16.933 -41.402 1.00 0.75 C ATOM 697 CG GLU A 46 -8.263 -18.155 -42.141 1.00 0.88 C ATOM 698 CD GLU A 46 -6.797 -18.070 -42.499 1.00 1.35 C ATOM 699 OE1 GLU A 46 -5.959 -18.035 -41.572 1.00 2.24 O ATOM 700 OE2 GLU A 46 -6.474 -18.068 -43.708 1.00 1.57 O ATOM 0 H GLU A 46 -10.064 -16.788 -38.725 1.00 0.51 H new ATOM 0 HA GLU A 46 -10.928 -16.861 -41.489 1.00 0.61 H new ATOM 0 HB2 GLU A 46 -8.810 -16.090 -42.091 1.00 0.75 H new ATOM 0 HB3 GLU A 46 -8.058 -16.669 -40.618 1.00 0.75 H new ATOM 0 HG2 GLU A 46 -8.429 -19.039 -41.525 1.00 0.88 H new ATOM 0 HG3 GLU A 46 -8.846 -18.287 -43.052 1.00 0.88 H new ATOM 707 N ASP A 47 -11.338 -19.266 -40.985 1.00 0.85 N ATOM 708 CA ASP A 47 -11.457 -20.733 -40.935 1.00 0.84 C ATOM 709 C ASP A 47 -11.443 -21.267 -39.494 1.00 0.83 C ATOM 710 O ASP A 47 -11.024 -22.395 -39.229 1.00 1.18 O ATOM 711 CB ASP A 47 -10.318 -21.362 -41.754 1.00 0.90 C ATOM 712 CG ASP A 47 -10.500 -22.853 -41.992 1.00 1.18 C ATOM 713 OD1 ASP A 47 -11.552 -23.248 -42.540 1.00 1.30 O ATOM 714 OD2 ASP A 47 -9.580 -23.631 -41.654 1.00 1.55 O ATOM 0 H ASP A 47 -12.096 -18.803 -41.486 1.00 0.85 H new ATOM 0 HA ASP A 47 -12.419 -21.011 -41.365 1.00 0.84 H new ATOM 0 HB2 ASP A 47 -10.248 -20.854 -42.716 1.00 0.90 H new ATOM 0 HB3 ASP A 47 -9.373 -21.197 -41.236 1.00 0.90 H new ATOM 719 N GLY A 48 -11.925 -20.458 -38.565 1.00 0.65 N ATOM 720 CA GLY A 48 -11.944 -20.873 -37.178 1.00 0.67 C ATOM 721 C GLY A 48 -10.665 -20.525 -36.441 1.00 0.58 C ATOM 722 O GLY A 48 -10.311 -21.179 -35.459 1.00 0.66 O ATOM 0 H GLY A 48 -12.301 -19.527 -38.744 1.00 0.65 H new ATOM 0 HA2 GLY A 48 -12.788 -20.401 -36.674 1.00 0.67 H new ATOM 0 HA3 GLY A 48 -12.105 -21.950 -37.128 1.00 0.67 H new ATOM 726 N LYS A 49 -9.958 -19.513 -36.928 1.00 0.48 N ATOM 727 CA LYS A 49 -8.802 -18.988 -36.224 1.00 0.44 C ATOM 728 C LYS A 49 -9.276 -18.232 -34.993 1.00 0.36 C ATOM 729 O LYS A 49 -9.869 -17.159 -35.109 1.00 0.35 O ATOM 730 CB LYS A 49 -7.995 -18.047 -37.126 1.00 0.50 C ATOM 731 CG LYS A 49 -7.113 -18.732 -38.162 1.00 0.71 C ATOM 732 CD LYS A 49 -5.889 -19.371 -37.535 1.00 0.93 C ATOM 733 CE LYS A 49 -4.628 -19.019 -38.314 1.00 1.41 C ATOM 734 NZ LYS A 49 -4.668 -19.507 -39.723 1.00 2.50 N ATOM 0 H LYS A 49 -10.167 -19.041 -37.808 1.00 0.48 H new ATOM 0 HA LYS A 49 -8.158 -19.818 -35.932 1.00 0.44 H new ATOM 0 HB2 LYS A 49 -8.688 -17.385 -37.645 1.00 0.50 H new ATOM 0 HB3 LYS A 49 -7.365 -17.419 -36.496 1.00 0.50 H new ATOM 0 HG2 LYS A 49 -7.692 -19.494 -38.684 1.00 0.71 H new ATOM 0 HG3 LYS A 49 -6.799 -18.003 -38.909 1.00 0.71 H new ATOM 0 HD2 LYS A 49 -5.788 -19.036 -36.503 1.00 0.93 H new ATOM 0 HD3 LYS A 49 -6.013 -20.454 -37.508 1.00 0.93 H new ATOM 0 HE2 LYS A 49 -4.494 -17.937 -38.312 1.00 1.41 H new ATOM 0 HE3 LYS A 49 -3.762 -19.448 -37.809 1.00 1.41 H new ATOM 0 HZ1 LYS A 49 -3.698 -19.602 -40.085 1.00 2.50 H new ATOM 0 HZ2 LYS A 49 -5.142 -20.432 -39.757 1.00 2.50 H new ATOM 0 HZ3 LYS A 49 -5.192 -18.828 -40.311 1.00 2.50 H new ATOM 748 N LYS A 50 -9.016 -18.795 -33.825 1.00 0.37 N ATOM 749 CA LYS A 50 -9.453 -18.193 -32.574 1.00 0.32 C ATOM 750 C LYS A 50 -8.531 -17.039 -32.202 1.00 0.27 C ATOM 751 O LYS A 50 -7.316 -17.219 -32.086 1.00 0.36 O ATOM 752 CB LYS A 50 -9.468 -19.250 -31.466 1.00 0.41 C ATOM 753 CG LYS A 50 -10.778 -19.326 -30.688 1.00 0.47 C ATOM 754 CD LYS A 50 -11.978 -19.478 -31.614 1.00 0.47 C ATOM 755 CE LYS A 50 -13.126 -20.211 -30.936 1.00 0.69 C ATOM 756 NZ LYS A 50 -14.310 -20.338 -31.826 1.00 1.32 N ATOM 0 H LYS A 50 -8.503 -19.670 -33.716 1.00 0.37 H new ATOM 0 HA LYS A 50 -10.463 -17.802 -32.696 1.00 0.32 H new ATOM 0 HB2 LYS A 50 -9.264 -20.225 -31.908 1.00 0.41 H new ATOM 0 HB3 LYS A 50 -8.657 -19.040 -30.769 1.00 0.41 H new ATOM 0 HG2 LYS A 50 -10.742 -20.169 -29.998 1.00 0.47 H new ATOM 0 HG3 LYS A 50 -10.896 -18.425 -30.085 1.00 0.47 H new ATOM 0 HD2 LYS A 50 -12.316 -18.493 -31.936 1.00 0.47 H new ATOM 0 HD3 LYS A 50 -11.679 -20.021 -32.510 1.00 0.47 H new ATOM 0 HE2 LYS A 50 -12.793 -21.203 -30.632 1.00 0.69 H new ATOM 0 HE3 LYS A 50 -13.410 -19.678 -30.028 1.00 0.69 H new ATOM 0 HZ1 LYS A 50 -14.793 -21.239 -31.635 1.00 1.32 H new ATOM 0 HZ2 LYS A 50 -14.965 -19.550 -31.648 1.00 1.32 H new ATOM 0 HZ3 LYS A 50 -14.002 -20.314 -32.819 1.00 1.32 H new ATOM 770 N LEU A 51 -9.112 -15.853 -32.062 1.00 0.19 N ATOM 771 CA LEU A 51 -8.356 -14.666 -31.692 1.00 0.13 C ATOM 772 C LEU A 51 -7.660 -14.861 -30.355 1.00 0.12 C ATOM 773 O LEU A 51 -8.307 -15.158 -29.352 1.00 0.16 O ATOM 774 CB LEU A 51 -9.270 -13.446 -31.607 1.00 0.13 C ATOM 775 CG LEU A 51 -9.048 -12.394 -32.695 1.00 0.13 C ATOM 776 CD1 LEU A 51 -9.897 -11.164 -32.442 1.00 0.19 C ATOM 777 CD2 LEU A 51 -7.588 -12.002 -32.763 1.00 0.16 C ATOM 0 H LEU A 51 -10.109 -15.689 -32.200 1.00 0.19 H new ATOM 0 HA LEU A 51 -7.606 -14.501 -32.466 1.00 0.13 H new ATOM 0 HB2 LEU A 51 -10.306 -13.783 -31.654 1.00 0.13 H new ATOM 0 HB3 LEU A 51 -9.132 -12.975 -30.634 1.00 0.13 H new ATOM 0 HG LEU A 51 -9.345 -12.832 -33.648 1.00 0.13 H new ATOM 0 HD11 LEU A 51 -9.720 -10.432 -33.230 1.00 0.19 H new ATOM 0 HD12 LEU A 51 -10.950 -11.444 -32.436 1.00 0.19 H new ATOM 0 HD13 LEU A 51 -9.632 -10.731 -31.478 1.00 0.19 H new ATOM 0 HD21 LEU A 51 -7.448 -11.253 -33.542 1.00 0.16 H new ATOM 0 HD22 LEU A 51 -7.277 -11.590 -31.803 1.00 0.16 H new ATOM 0 HD23 LEU A 51 -6.986 -12.881 -32.993 1.00 0.16 H new ATOM 789 N PHE A 52 -6.348 -14.685 -30.342 1.00 0.12 N ATOM 790 CA PHE A 52 -5.577 -14.882 -29.128 1.00 0.11 C ATOM 791 C PHE A 52 -5.140 -13.545 -28.545 1.00 0.10 C ATOM 792 O PHE A 52 -5.076 -12.535 -29.252 1.00 0.12 O ATOM 793 CB PHE A 52 -4.344 -15.757 -29.404 1.00 0.14 C ATOM 794 CG PHE A 52 -3.187 -15.020 -30.027 1.00 0.20 C ATOM 795 CD1 PHE A 52 -3.143 -14.787 -31.391 1.00 0.29 C ATOM 796 CD2 PHE A 52 -2.146 -14.557 -29.238 1.00 0.28 C ATOM 797 CE1 PHE A 52 -2.085 -14.103 -31.958 1.00 0.38 C ATOM 798 CE2 PHE A 52 -1.083 -13.874 -29.798 1.00 0.37 C ATOM 799 CZ PHE A 52 -1.053 -13.645 -31.160 1.00 0.39 C ATOM 0 H PHE A 52 -5.798 -14.407 -31.155 1.00 0.12 H new ATOM 0 HA PHE A 52 -6.215 -15.390 -28.405 1.00 0.11 H new ATOM 0 HB2 PHE A 52 -4.013 -16.203 -28.466 1.00 0.14 H new ATOM 0 HB3 PHE A 52 -4.634 -16.576 -30.062 1.00 0.14 H new ATOM 0 HD1 PHE A 52 -3.945 -15.144 -32.019 1.00 0.29 H new ATOM 0 HD2 PHE A 52 -2.166 -14.732 -28.172 1.00 0.28 H new ATOM 0 HE1 PHE A 52 -2.064 -13.926 -33.023 1.00 0.38 H new ATOM 0 HE2 PHE A 52 -0.277 -13.520 -29.172 1.00 0.37 H new ATOM 0 HZ PHE A 52 -0.225 -13.109 -31.601 1.00 0.39 H new ATOM 809 N PHE A 53 -4.854 -13.548 -27.255 1.00 0.10 N ATOM 810 CA PHE A 53 -4.290 -12.390 -26.590 1.00 0.10 C ATOM 811 C PHE A 53 -3.442 -12.850 -25.413 1.00 0.11 C ATOM 812 O PHE A 53 -3.667 -13.934 -24.867 1.00 0.13 O ATOM 813 CB PHE A 53 -5.405 -11.434 -26.129 1.00 0.10 C ATOM 814 CG PHE A 53 -6.258 -11.943 -24.998 1.00 0.10 C ATOM 815 CD1 PHE A 53 -5.857 -11.788 -23.681 1.00 0.13 C ATOM 816 CD2 PHE A 53 -7.474 -12.555 -25.251 1.00 0.11 C ATOM 817 CE1 PHE A 53 -6.648 -12.237 -22.643 1.00 0.16 C ATOM 818 CE2 PHE A 53 -8.267 -13.007 -24.216 1.00 0.13 C ATOM 819 CZ PHE A 53 -7.854 -12.848 -22.910 1.00 0.14 C ATOM 0 H PHE A 53 -5.006 -14.350 -26.643 1.00 0.10 H new ATOM 0 HA PHE A 53 -3.657 -11.844 -27.289 1.00 0.10 H new ATOM 0 HB2 PHE A 53 -4.950 -10.491 -25.824 1.00 0.10 H new ATOM 0 HB3 PHE A 53 -6.050 -11.216 -26.980 1.00 0.10 H new ATOM 0 HD1 PHE A 53 -4.913 -11.310 -23.464 1.00 0.13 H new ATOM 0 HD2 PHE A 53 -7.806 -12.680 -26.271 1.00 0.11 H new ATOM 0 HE1 PHE A 53 -6.322 -12.110 -21.621 1.00 0.16 H new ATOM 0 HE2 PHE A 53 -9.212 -13.485 -24.429 1.00 0.13 H new ATOM 0 HZ PHE A 53 -8.474 -13.201 -22.099 1.00 0.14 H new ATOM 829 N HIS A 54 -2.464 -12.049 -25.035 1.00 0.13 N ATOM 830 CA HIS A 54 -1.652 -12.351 -23.876 1.00 0.15 C ATOM 831 C HIS A 54 -2.233 -11.608 -22.671 1.00 0.15 C ATOM 832 O HIS A 54 -2.834 -10.543 -22.822 1.00 0.16 O ATOM 833 CB HIS A 54 -0.187 -11.950 -24.122 1.00 0.18 C ATOM 834 CG HIS A 54 0.745 -12.352 -23.014 1.00 0.21 C ATOM 835 ND1 HIS A 54 1.771 -11.563 -22.536 1.00 0.34 N ATOM 836 CD2 HIS A 54 0.798 -13.502 -22.293 1.00 0.25 C ATOM 837 CE1 HIS A 54 2.394 -12.245 -21.564 1.00 0.34 C ATOM 838 NE2 HIS A 54 1.839 -13.425 -21.378 1.00 0.27 N ATOM 0 H HIS A 54 -2.214 -11.184 -25.515 1.00 0.13 H new ATOM 0 HA HIS A 54 -1.665 -13.423 -23.681 1.00 0.15 H new ATOM 0 HB2 HIS A 54 0.153 -12.404 -25.053 1.00 0.18 H new ATOM 0 HB3 HIS A 54 -0.133 -10.870 -24.256 1.00 0.18 H new ATOM 0 HD1 HIS A 54 2.013 -10.628 -22.864 1.00 0.34 H new ATOM 0 HD2 HIS A 54 0.134 -14.345 -22.413 1.00 0.25 H new ATOM 0 HE1 HIS A 54 3.241 -11.875 -21.006 1.00 0.34 H new ATOM 846 N MET A 55 -2.059 -12.165 -21.481 1.00 0.16 N ATOM 847 CA MET A 55 -2.566 -11.557 -20.250 1.00 0.17 C ATOM 848 C MET A 55 -1.893 -10.214 -19.944 1.00 0.17 C ATOM 849 O MET A 55 -2.187 -9.585 -18.929 1.00 0.27 O ATOM 850 CB MET A 55 -2.375 -12.515 -19.069 1.00 0.24 C ATOM 851 CG MET A 55 -3.570 -13.419 -18.816 1.00 0.76 C ATOM 852 SD MET A 55 -3.356 -14.461 -17.361 1.00 1.86 S ATOM 853 CE MET A 55 -4.968 -15.243 -17.271 1.00 2.43 C ATOM 0 H MET A 55 -1.566 -13.046 -21.337 1.00 0.16 H new ATOM 0 HA MET A 55 -3.628 -11.365 -20.401 1.00 0.17 H new ATOM 0 HB2 MET A 55 -1.496 -13.133 -19.252 1.00 0.24 H new ATOM 0 HB3 MET A 55 -2.174 -11.933 -18.169 1.00 0.24 H new ATOM 0 HG2 MET A 55 -4.464 -12.807 -18.692 1.00 0.76 H new ATOM 0 HG3 MET A 55 -3.735 -14.050 -19.689 1.00 0.76 H new ATOM 0 HE1 MET A 55 -5.190 -15.501 -16.236 1.00 2.43 H new ATOM 0 HE2 MET A 55 -5.727 -14.556 -17.644 1.00 2.43 H new ATOM 0 HE3 MET A 55 -4.968 -16.148 -17.879 1.00 2.43 H new ATOM 863 N SER A 56 -1.005 -9.772 -20.824 1.00 0.16 N ATOM 864 CA SER A 56 -0.356 -8.480 -20.665 1.00 0.19 C ATOM 865 C SER A 56 -1.254 -7.374 -21.223 1.00 0.17 C ATOM 866 O SER A 56 -1.188 -6.228 -20.779 1.00 0.24 O ATOM 867 CB SER A 56 1.006 -8.471 -21.368 1.00 0.26 C ATOM 868 OG SER A 56 1.746 -7.301 -21.053 1.00 0.91 O ATOM 0 H SER A 56 -0.718 -10.290 -21.655 1.00 0.16 H new ATOM 0 HA SER A 56 -0.191 -8.298 -19.603 1.00 0.19 H new ATOM 0 HB2 SER A 56 1.575 -9.353 -21.073 1.00 0.26 H new ATOM 0 HB3 SER A 56 0.860 -8.531 -22.447 1.00 0.26 H new ATOM 0 HG SER A 56 2.610 -7.326 -21.515 1.00 0.91 H new ATOM 874 N GLU A 57 -2.099 -7.729 -22.191 1.00 0.14 N ATOM 875 CA GLU A 57 -3.044 -6.787 -22.777 1.00 0.17 C ATOM 876 C GLU A 57 -4.317 -6.726 -21.937 1.00 0.16 C ATOM 877 O GLU A 57 -5.188 -5.890 -22.168 1.00 0.20 O ATOM 878 CB GLU A 57 -3.400 -7.201 -24.214 1.00 0.22 C ATOM 879 CG GLU A 57 -2.223 -7.186 -25.186 1.00 0.32 C ATOM 880 CD GLU A 57 -1.268 -8.355 -25.009 1.00 1.10 C ATOM 881 OE1 GLU A 57 -1.563 -9.452 -25.521 1.00 1.96 O ATOM 882 OE2 GLU A 57 -0.209 -8.169 -24.370 1.00 1.20 O ATOM 0 H GLU A 57 -2.146 -8.668 -22.586 1.00 0.14 H new ATOM 0 HA GLU A 57 -2.575 -5.803 -22.797 1.00 0.17 H new ATOM 0 HB2 GLU A 57 -3.826 -8.204 -24.195 1.00 0.22 H new ATOM 0 HB3 GLU A 57 -4.174 -6.532 -24.590 1.00 0.22 H new ATOM 0 HG2 GLU A 57 -2.606 -7.193 -26.206 1.00 0.32 H new ATOM 0 HG3 GLU A 57 -1.671 -6.255 -25.059 1.00 0.32 H new ATOM 889 N VAL A 58 -4.401 -7.625 -20.969 1.00 0.17 N ATOM 890 CA VAL A 58 -5.568 -7.773 -20.109 1.00 0.17 C ATOM 891 C VAL A 58 -5.803 -6.547 -19.211 1.00 0.20 C ATOM 892 O VAL A 58 -4.865 -5.822 -18.860 1.00 0.27 O ATOM 893 CB VAL A 58 -5.420 -9.071 -19.276 1.00 0.16 C ATOM 894 CG1 VAL A 58 -6.069 -8.982 -17.908 1.00 0.27 C ATOM 895 CG2 VAL A 58 -5.995 -10.252 -20.045 1.00 0.22 C ATOM 0 H VAL A 58 -3.651 -8.282 -20.754 1.00 0.17 H new ATOM 0 HA VAL A 58 -6.453 -7.846 -20.741 1.00 0.17 H new ATOM 0 HB VAL A 58 -4.352 -9.214 -19.109 1.00 0.16 H new ATOM 0 HG11 VAL A 58 -5.929 -9.923 -17.377 1.00 0.27 H new ATOM 0 HG12 VAL A 58 -5.610 -8.173 -17.340 1.00 0.27 H new ATOM 0 HG13 VAL A 58 -7.135 -8.785 -18.023 1.00 0.27 H new ATOM 0 HG21 VAL A 58 -5.887 -11.160 -19.452 1.00 0.22 H new ATOM 0 HG22 VAL A 58 -7.051 -10.075 -20.247 1.00 0.22 H new ATOM 0 HG23 VAL A 58 -5.459 -10.368 -20.987 1.00 0.22 H new ATOM 905 N GLN A 59 -7.074 -6.338 -18.856 1.00 0.20 N ATOM 906 CA GLN A 59 -7.526 -5.174 -18.093 1.00 0.25 C ATOM 907 C GLN A 59 -6.977 -5.166 -16.670 1.00 0.34 C ATOM 908 O GLN A 59 -7.538 -5.794 -15.772 1.00 0.57 O ATOM 909 CB GLN A 59 -9.059 -5.160 -18.060 1.00 0.31 C ATOM 910 CG GLN A 59 -9.674 -3.855 -17.570 1.00 0.41 C ATOM 911 CD GLN A 59 -10.207 -3.941 -16.151 1.00 0.77 C ATOM 912 OE1 GLN A 59 -10.643 -4.998 -15.699 1.00 1.60 O ATOM 913 NE2 GLN A 59 -10.198 -2.818 -15.449 1.00 1.25 N ATOM 0 H GLN A 59 -7.828 -6.983 -19.095 1.00 0.20 H new ATOM 0 HA GLN A 59 -7.147 -4.280 -18.589 1.00 0.25 H new ATOM 0 HB2 GLN A 59 -9.432 -5.368 -19.063 1.00 0.31 H new ATOM 0 HB3 GLN A 59 -9.402 -5.971 -17.418 1.00 0.31 H new ATOM 0 HG2 GLN A 59 -8.924 -3.065 -17.622 1.00 0.41 H new ATOM 0 HG3 GLN A 59 -10.485 -3.569 -18.239 1.00 0.41 H new ATOM 0 HE21 GLN A 59 -9.827 -1.962 -15.861 1.00 1.25 H new ATOM 0 HE22 GLN A 59 -10.562 -2.809 -14.496 1.00 1.25 H new ATOM 922 N GLY A 60 -5.870 -4.460 -16.479 1.00 0.40 N ATOM 923 CA GLY A 60 -5.333 -4.247 -15.149 1.00 0.49 C ATOM 924 C GLY A 60 -4.712 -5.491 -14.542 1.00 0.44 C ATOM 925 O GLY A 60 -3.492 -5.668 -14.580 1.00 0.58 O ATOM 0 H GLY A 60 -5.330 -4.028 -17.229 1.00 0.40 H new ATOM 0 HA2 GLY A 60 -4.581 -3.459 -15.191 1.00 0.49 H new ATOM 0 HA3 GLY A 60 -6.131 -3.893 -14.496 1.00 0.49 H new ATOM 929 N ASN A 61 -5.550 -6.354 -13.988 1.00 0.47 N ATOM 930 CA ASN A 61 -5.082 -7.552 -13.313 1.00 0.52 C ATOM 931 C ASN A 61 -5.388 -8.777 -14.146 1.00 0.52 C ATOM 932 O ASN A 61 -6.402 -8.832 -14.839 1.00 0.49 O ATOM 933 CB ASN A 61 -5.739 -7.711 -11.940 1.00 0.63 C ATOM 934 CG ASN A 61 -5.393 -6.591 -10.980 1.00 1.27 C ATOM 935 OD1 ASN A 61 -6.080 -5.571 -10.919 1.00 2.20 O ATOM 936 ND2 ASN A 61 -4.325 -6.775 -10.220 1.00 1.71 N ATOM 0 H ASN A 61 -6.564 -6.244 -13.994 1.00 0.47 H new ATOM 0 HA ASN A 61 -4.005 -7.452 -13.179 1.00 0.52 H new ATOM 0 HB2 ASN A 61 -6.821 -7.753 -12.065 1.00 0.63 H new ATOM 0 HB3 ASN A 61 -5.431 -8.662 -11.505 1.00 0.63 H new ATOM 0 HD21 ASN A 61 -4.044 -6.057 -9.553 1.00 1.71 H new ATOM 0 HD22 ASN A 61 -3.783 -7.635 -10.302 1.00 1.71 H new ATOM 943 N THR A 62 -4.529 -9.772 -14.043 1.00 0.62 N ATOM 944 CA THR A 62 -4.684 -11.005 -14.794 1.00 0.71 C ATOM 945 C THR A 62 -5.910 -11.782 -14.316 1.00 0.70 C ATOM 946 O THR A 62 -6.504 -12.557 -15.060 1.00 0.82 O ATOM 947 CB THR A 62 -3.424 -11.875 -14.649 1.00 0.86 C ATOM 948 OG1 THR A 62 -3.163 -12.125 -13.259 1.00 0.87 O ATOM 949 CG2 THR A 62 -2.226 -11.172 -15.268 1.00 0.95 C ATOM 0 H THR A 62 -3.707 -9.750 -13.440 1.00 0.62 H new ATOM 0 HA THR A 62 -4.825 -10.749 -15.844 1.00 0.71 H new ATOM 0 HB THR A 62 -3.590 -12.820 -15.165 1.00 0.86 H new ATOM 0 HG1 THR A 62 -2.361 -12.681 -13.172 1.00 0.87 H new ATOM 0 HG21 THR A 62 -1.340 -11.798 -15.159 1.00 0.95 H new ATOM 0 HG22 THR A 62 -2.416 -10.993 -16.326 1.00 0.95 H new ATOM 0 HG23 THR A 62 -2.062 -10.220 -14.763 1.00 0.95 H new ATOM 957 N VAL A 63 -6.297 -11.540 -13.071 1.00 0.63 N ATOM 958 CA VAL A 63 -7.441 -12.214 -12.478 1.00 0.71 C ATOM 959 C VAL A 63 -8.713 -11.380 -12.660 1.00 0.64 C ATOM 960 O VAL A 63 -9.786 -11.746 -12.188 1.00 0.74 O ATOM 961 CB VAL A 63 -7.200 -12.490 -10.974 1.00 0.84 C ATOM 962 CG1 VAL A 63 -8.224 -13.477 -10.425 1.00 1.39 C ATOM 963 CG2 VAL A 63 -5.786 -13.001 -10.740 1.00 1.31 C ATOM 0 H VAL A 63 -5.832 -10.878 -12.450 1.00 0.63 H new ATOM 0 HA VAL A 63 -7.570 -13.168 -12.990 1.00 0.71 H new ATOM 0 HB VAL A 63 -7.319 -11.548 -10.438 1.00 0.84 H new ATOM 0 HG11 VAL A 63 -8.030 -13.652 -9.367 1.00 1.39 H new ATOM 0 HG12 VAL A 63 -9.226 -13.067 -10.547 1.00 1.39 H new ATOM 0 HG13 VAL A 63 -8.149 -14.419 -10.968 1.00 1.39 H new ATOM 0 HG21 VAL A 63 -5.638 -13.188 -9.676 1.00 1.31 H new ATOM 0 HG22 VAL A 63 -5.637 -13.927 -11.296 1.00 1.31 H new ATOM 0 HG23 VAL A 63 -5.068 -12.254 -11.080 1.00 1.31 H new ATOM 973 N ALA A 64 -8.592 -10.261 -13.361 1.00 0.55 N ATOM 974 CA ALA A 64 -9.743 -9.408 -13.626 1.00 0.53 C ATOM 975 C ALA A 64 -10.460 -9.850 -14.894 1.00 0.44 C ATOM 976 O ALA A 64 -11.653 -9.591 -15.073 1.00 0.56 O ATOM 977 CB ALA A 64 -9.310 -7.953 -13.731 1.00 0.57 C ATOM 0 H ALA A 64 -7.714 -9.924 -13.755 1.00 0.55 H new ATOM 0 HA ALA A 64 -10.441 -9.501 -12.794 1.00 0.53 H new ATOM 0 HB1 ALA A 64 -10.181 -7.328 -13.929 1.00 0.57 H new ATOM 0 HB2 ALA A 64 -8.846 -7.643 -12.795 1.00 0.57 H new ATOM 0 HB3 ALA A 64 -8.593 -7.845 -14.545 1.00 0.57 H new ATOM 983 N LEU A 65 -9.726 -10.520 -15.767 1.00 0.35 N ATOM 984 CA LEU A 65 -10.274 -11.014 -17.018 1.00 0.25 C ATOM 985 C LEU A 65 -10.460 -12.527 -16.912 1.00 0.22 C ATOM 986 O LEU A 65 -9.516 -13.254 -16.609 1.00 0.26 O ATOM 987 CB LEU A 65 -9.316 -10.651 -18.168 1.00 0.23 C ATOM 988 CG LEU A 65 -9.975 -10.289 -19.501 1.00 0.25 C ATOM 989 CD1 LEU A 65 -10.774 -11.457 -20.029 1.00 1.51 C ATOM 990 CD2 LEU A 65 -10.823 -9.045 -19.344 1.00 1.21 C ATOM 0 H LEU A 65 -8.739 -10.736 -15.629 1.00 0.35 H new ATOM 0 HA LEU A 65 -11.242 -10.557 -17.221 1.00 0.25 H new ATOM 0 HB2 LEU A 65 -8.700 -9.810 -17.850 1.00 0.23 H new ATOM 0 HB3 LEU A 65 -8.644 -11.493 -18.334 1.00 0.23 H new ATOM 0 HG LEU A 65 -9.201 -10.068 -20.236 1.00 0.25 H new ATOM 0 HD11 LEU A 65 -11.236 -11.183 -20.977 1.00 1.51 H new ATOM 0 HD12 LEU A 65 -10.114 -12.311 -20.181 1.00 1.51 H new ATOM 0 HD13 LEU A 65 -11.550 -11.722 -19.311 1.00 1.51 H new ATOM 0 HD21 LEU A 65 -11.286 -8.798 -20.299 1.00 1.21 H new ATOM 0 HD22 LEU A 65 -11.599 -9.225 -18.600 1.00 1.21 H new ATOM 0 HD23 LEU A 65 -10.195 -8.215 -19.020 1.00 1.21 H new ATOM 1002 N HIS A 66 -11.678 -12.997 -17.160 1.00 0.20 N ATOM 1003 CA HIS A 66 -12.007 -14.402 -16.961 1.00 0.21 C ATOM 1004 C HIS A 66 -12.467 -15.044 -18.268 1.00 0.15 C ATOM 1005 O HIS A 66 -13.042 -14.366 -19.123 1.00 0.15 O ATOM 1006 CB HIS A 66 -13.131 -14.554 -15.929 1.00 0.31 C ATOM 1007 CG HIS A 66 -13.004 -13.694 -14.703 1.00 0.53 C ATOM 1008 ND1 HIS A 66 -12.440 -14.107 -13.516 1.00 0.75 N ATOM 1009 CD2 HIS A 66 -13.420 -12.416 -14.494 1.00 0.76 C ATOM 1010 CE1 HIS A 66 -12.537 -13.097 -12.641 1.00 0.90 C ATOM 1011 NE2 HIS A 66 -13.124 -12.047 -13.185 1.00 0.91 N ATOM 0 H HIS A 66 -12.452 -12.426 -17.499 1.00 0.20 H new ATOM 0 HA HIS A 66 -11.105 -14.899 -16.604 1.00 0.21 H new ATOM 0 HB2 HIS A 66 -14.080 -14.326 -16.415 1.00 0.31 H new ATOM 0 HB3 HIS A 66 -13.175 -15.597 -15.617 1.00 0.31 H new ATOM 0 HD2 HIS A 66 -13.903 -11.787 -15.227 1.00 0.76 H new ATOM 0 HE1 HIS A 66 -12.181 -13.137 -11.622 1.00 0.90 H new ATOM 0 HE2 HIS A 66 -13.320 -11.151 -12.739 1.00 0.91 H new ATOM 1019 N PRO A 67 -12.222 -16.355 -18.448 1.00 0.15 N ATOM 1020 CA PRO A 67 -12.767 -17.105 -19.581 1.00 0.14 C ATOM 1021 C PRO A 67 -14.284 -17.232 -19.485 1.00 0.15 C ATOM 1022 O PRO A 67 -14.810 -17.758 -18.506 1.00 0.28 O ATOM 1023 CB PRO A 67 -12.111 -18.483 -19.459 1.00 0.19 C ATOM 1024 CG PRO A 67 -11.722 -18.596 -18.025 1.00 0.20 C ATOM 1025 CD PRO A 67 -11.387 -17.203 -17.575 1.00 0.19 C ATOM 0 HA PRO A 67 -12.566 -16.615 -20.534 1.00 0.14 H new ATOM 0 HB2 PRO A 67 -12.802 -19.276 -19.745 1.00 0.19 H new ATOM 0 HB3 PRO A 67 -11.242 -18.566 -20.112 1.00 0.19 H new ATOM 0 HG2 PRO A 67 -12.536 -19.012 -17.432 1.00 0.20 H new ATOM 0 HG3 PRO A 67 -10.867 -19.261 -17.904 1.00 0.20 H new ATOM 0 HD2 PRO A 67 -11.624 -17.052 -16.522 1.00 0.19 H new ATOM 0 HD3 PRO A 67 -10.326 -16.985 -17.697 1.00 0.19 H new ATOM 1033 N GLY A 68 -14.980 -16.750 -20.502 1.00 0.15 N ATOM 1034 CA GLY A 68 -16.427 -16.762 -20.481 1.00 0.18 C ATOM 1035 C GLY A 68 -17.005 -15.402 -20.162 1.00 0.18 C ATOM 1036 O GLY A 68 -18.209 -15.183 -20.306 1.00 0.22 O ATOM 0 H GLY A 68 -14.567 -16.349 -21.344 1.00 0.15 H new ATOM 0 HA2 GLY A 68 -16.800 -17.095 -21.449 1.00 0.18 H new ATOM 0 HA3 GLY A 68 -16.772 -17.484 -19.741 1.00 0.18 H new ATOM 1040 N ASP A 69 -16.147 -14.487 -19.726 1.00 0.18 N ATOM 1041 CA ASP A 69 -16.558 -13.110 -19.480 1.00 0.20 C ATOM 1042 C ASP A 69 -16.508 -12.318 -20.771 1.00 0.13 C ATOM 1043 O ASP A 69 -15.771 -12.676 -21.695 1.00 0.12 O ATOM 1044 CB ASP A 69 -15.659 -12.440 -18.431 1.00 0.27 C ATOM 1045 CG ASP A 69 -16.150 -12.631 -17.008 1.00 0.68 C ATOM 1046 OD1 ASP A 69 -16.325 -11.613 -16.294 1.00 1.28 O ATOM 1047 OD2 ASP A 69 -16.366 -13.786 -16.594 1.00 1.09 O ATOM 0 H ASP A 69 -15.162 -14.674 -19.536 1.00 0.18 H new ATOM 0 HA ASP A 69 -17.579 -13.126 -19.098 1.00 0.20 H new ATOM 0 HB2 ASP A 69 -14.650 -12.843 -18.517 1.00 0.27 H new ATOM 0 HB3 ASP A 69 -15.595 -11.373 -18.646 1.00 0.27 H new ATOM 1052 N THR A 70 -17.293 -11.255 -20.847 1.00 0.13 N ATOM 1053 CA THR A 70 -17.285 -10.408 -22.025 1.00 0.11 C ATOM 1054 C THR A 70 -16.073 -9.489 -21.973 1.00 0.10 C ATOM 1055 O THR A 70 -15.683 -9.030 -20.899 1.00 0.14 O ATOM 1056 CB THR A 70 -18.572 -9.564 -22.135 1.00 0.14 C ATOM 1057 OG1 THR A 70 -19.710 -10.373 -21.807 1.00 0.17 O ATOM 1058 CG2 THR A 70 -18.737 -9.013 -23.548 1.00 0.15 C ATOM 0 H THR A 70 -17.938 -10.961 -20.113 1.00 0.13 H new ATOM 0 HA THR A 70 -17.236 -11.051 -22.904 1.00 0.11 H new ATOM 0 HB THR A 70 -18.497 -8.729 -21.438 1.00 0.14 H new ATOM 0 HG1 THR A 70 -20.525 -9.834 -21.876 1.00 0.17 H new ATOM 0 HG21 THR A 70 -19.651 -8.421 -23.603 1.00 0.15 H new ATOM 0 HG22 THR A 70 -17.882 -8.384 -23.796 1.00 0.15 H new ATOM 0 HG23 THR A 70 -18.797 -9.839 -24.256 1.00 0.15 H new ATOM 1066 N VAL A 71 -15.453 -9.250 -23.115 1.00 0.10 N ATOM 1067 CA VAL A 71 -14.263 -8.422 -23.168 1.00 0.12 C ATOM 1068 C VAL A 71 -14.310 -7.471 -24.339 1.00 0.12 C ATOM 1069 O VAL A 71 -15.120 -7.612 -25.261 1.00 0.16 O ATOM 1070 CB VAL A 71 -12.987 -9.265 -23.303 1.00 0.17 C ATOM 1071 CG1 VAL A 71 -12.964 -10.357 -22.265 1.00 0.31 C ATOM 1072 CG2 VAL A 71 -12.861 -9.852 -24.697 1.00 0.24 C ATOM 0 H VAL A 71 -15.754 -9.618 -24.017 1.00 0.10 H new ATOM 0 HA VAL A 71 -14.240 -7.867 -22.230 1.00 0.12 H new ATOM 0 HB VAL A 71 -12.132 -8.609 -23.138 1.00 0.17 H new ATOM 0 HG11 VAL A 71 -12.053 -10.945 -22.375 1.00 0.31 H new ATOM 0 HG12 VAL A 71 -12.992 -9.914 -21.270 1.00 0.31 H new ATOM 0 HG13 VAL A 71 -13.831 -11.004 -22.398 1.00 0.31 H new ATOM 0 HG21 VAL A 71 -11.948 -10.444 -24.762 1.00 0.24 H new ATOM 0 HG22 VAL A 71 -13.721 -10.489 -24.903 1.00 0.24 H new ATOM 0 HG23 VAL A 71 -12.823 -9.046 -25.429 1.00 0.24 H new ATOM 1082 N GLU A 72 -13.432 -6.511 -24.283 1.00 0.14 N ATOM 1083 CA GLU A 72 -13.193 -5.623 -25.380 1.00 0.14 C ATOM 1084 C GLU A 72 -11.730 -5.735 -25.763 1.00 0.14 C ATOM 1085 O GLU A 72 -10.882 -5.947 -24.903 1.00 0.24 O ATOM 1086 CB GLU A 72 -13.583 -4.199 -24.993 1.00 0.21 C ATOM 1087 CG GLU A 72 -12.525 -3.171 -25.276 1.00 0.33 C ATOM 1088 CD GLU A 72 -13.036 -1.765 -25.095 1.00 0.42 C ATOM 1089 OE1 GLU A 72 -12.412 -0.994 -24.328 1.00 0.59 O ATOM 1090 OE2 GLU A 72 -14.085 -1.431 -25.674 1.00 0.78 O ATOM 0 H GLU A 72 -12.856 -6.322 -23.463 1.00 0.14 H new ATOM 0 HA GLU A 72 -13.803 -5.891 -26.243 1.00 0.14 H new ATOM 0 HB2 GLU A 72 -14.492 -3.925 -25.529 1.00 0.21 H new ATOM 0 HB3 GLU A 72 -13.821 -4.176 -23.929 1.00 0.21 H new ATOM 0 HG2 GLU A 72 -11.675 -3.335 -24.614 1.00 0.33 H new ATOM 0 HG3 GLU A 72 -12.163 -3.296 -26.297 1.00 0.33 H new ATOM 1097 N PHE A 73 -11.445 -5.641 -27.044 1.00 0.09 N ATOM 1098 CA PHE A 73 -10.097 -5.846 -27.540 1.00 0.08 C ATOM 1099 C PHE A 73 -9.907 -5.094 -28.836 1.00 0.07 C ATOM 1100 O PHE A 73 -10.826 -4.455 -29.329 1.00 0.07 O ATOM 1101 CB PHE A 73 -9.817 -7.339 -27.752 1.00 0.08 C ATOM 1102 CG PHE A 73 -10.838 -8.043 -28.599 1.00 0.08 C ATOM 1103 CD1 PHE A 73 -10.607 -8.291 -29.942 1.00 0.09 C ATOM 1104 CD2 PHE A 73 -12.029 -8.473 -28.041 1.00 0.11 C ATOM 1105 CE1 PHE A 73 -11.545 -8.950 -30.706 1.00 0.10 C ATOM 1106 CE2 PHE A 73 -12.968 -9.131 -28.802 1.00 0.11 C ATOM 1107 CZ PHE A 73 -12.726 -9.373 -30.136 1.00 0.10 C ATOM 0 H PHE A 73 -12.132 -5.423 -27.766 1.00 0.09 H new ATOM 0 HA PHE A 73 -9.394 -5.467 -26.798 1.00 0.08 H new ATOM 0 HB2 PHE A 73 -8.837 -7.451 -28.216 1.00 0.08 H new ATOM 0 HB3 PHE A 73 -9.767 -7.829 -26.780 1.00 0.08 H new ATOM 0 HD1 PHE A 73 -9.682 -7.965 -30.395 1.00 0.09 H new ATOM 0 HD2 PHE A 73 -12.224 -8.290 -26.995 1.00 0.11 H new ATOM 0 HE1 PHE A 73 -11.354 -9.135 -31.753 1.00 0.10 H new ATOM 0 HE2 PHE A 73 -13.894 -9.458 -28.353 1.00 0.11 H new ATOM 0 HZ PHE A 73 -13.460 -9.893 -30.734 1.00 0.10 H new ATOM 1117 N SER A 74 -8.723 -5.171 -29.393 1.00 0.09 N ATOM 1118 CA SER A 74 -8.443 -4.483 -30.629 1.00 0.10 C ATOM 1119 C SER A 74 -7.870 -5.469 -31.618 1.00 0.12 C ATOM 1120 O SER A 74 -6.819 -6.062 -31.375 1.00 0.19 O ATOM 1121 CB SER A 74 -7.469 -3.324 -30.391 1.00 0.15 C ATOM 1122 OG SER A 74 -7.929 -2.464 -29.363 1.00 0.86 O ATOM 0 H SER A 74 -7.940 -5.702 -29.011 1.00 0.09 H new ATOM 0 HA SER A 74 -9.365 -4.063 -31.030 1.00 0.10 H new ATOM 0 HB2 SER A 74 -6.489 -3.720 -30.125 1.00 0.15 H new ATOM 0 HB3 SER A 74 -7.344 -2.757 -31.313 1.00 0.15 H new ATOM 0 HG SER A 74 -7.286 -1.736 -29.233 1.00 0.86 H new ATOM 1128 N VAL A 75 -8.577 -5.654 -32.716 1.00 0.17 N ATOM 1129 CA VAL A 75 -8.201 -6.640 -33.706 1.00 0.19 C ATOM 1130 C VAL A 75 -7.137 -6.083 -34.648 1.00 0.20 C ATOM 1131 O VAL A 75 -7.418 -5.324 -35.576 1.00 0.27 O ATOM 1132 CB VAL A 75 -9.442 -7.151 -34.486 1.00 0.27 C ATOM 1133 CG1 VAL A 75 -10.185 -6.010 -35.169 1.00 0.33 C ATOM 1134 CG2 VAL A 75 -9.050 -8.220 -35.492 1.00 0.36 C ATOM 0 H VAL A 75 -9.421 -5.129 -32.944 1.00 0.17 H new ATOM 0 HA VAL A 75 -7.769 -7.495 -33.187 1.00 0.19 H new ATOM 0 HB VAL A 75 -10.122 -7.598 -33.761 1.00 0.27 H new ATOM 0 HG11 VAL A 75 -11.047 -6.407 -35.705 1.00 0.33 H new ATOM 0 HG12 VAL A 75 -10.522 -5.294 -34.419 1.00 0.33 H new ATOM 0 HG13 VAL A 75 -9.518 -5.511 -35.873 1.00 0.33 H new ATOM 0 HG21 VAL A 75 -9.938 -8.561 -36.025 1.00 0.36 H new ATOM 0 HG22 VAL A 75 -8.336 -7.805 -36.204 1.00 0.36 H new ATOM 0 HG23 VAL A 75 -8.595 -9.062 -34.970 1.00 0.36 H new ATOM 1144 N VAL A 76 -5.899 -6.439 -34.368 1.00 0.19 N ATOM 1145 CA VAL A 76 -4.789 -6.035 -35.210 1.00 0.26 C ATOM 1146 C VAL A 76 -4.253 -7.241 -35.975 1.00 0.25 C ATOM 1147 O VAL A 76 -3.901 -8.265 -35.382 1.00 0.25 O ATOM 1148 CB VAL A 76 -3.656 -5.351 -34.398 1.00 0.33 C ATOM 1149 CG1 VAL A 76 -3.147 -6.250 -33.280 1.00 0.32 C ATOM 1150 CG2 VAL A 76 -2.510 -4.946 -35.314 1.00 0.42 C ATOM 0 H VAL A 76 -5.636 -7.008 -33.563 1.00 0.19 H new ATOM 0 HA VAL A 76 -5.161 -5.295 -35.919 1.00 0.26 H new ATOM 0 HB VAL A 76 -4.075 -4.455 -33.941 1.00 0.33 H new ATOM 0 HG11 VAL A 76 -2.355 -5.738 -32.734 1.00 0.32 H new ATOM 0 HG12 VAL A 76 -3.966 -6.483 -32.599 1.00 0.32 H new ATOM 0 HG13 VAL A 76 -2.755 -7.174 -33.706 1.00 0.32 H new ATOM 0 HG21 VAL A 76 -1.726 -4.468 -34.726 1.00 0.42 H new ATOM 0 HG22 VAL A 76 -2.107 -5.831 -35.806 1.00 0.42 H new ATOM 0 HG23 VAL A 76 -2.875 -4.248 -36.067 1.00 0.42 H new ATOM 1160 N THR A 77 -4.242 -7.133 -37.293 1.00 0.34 N ATOM 1161 CA THR A 77 -3.795 -8.226 -38.138 1.00 0.38 C ATOM 1162 C THR A 77 -2.276 -8.332 -38.136 1.00 0.44 C ATOM 1163 O THR A 77 -1.570 -7.342 -38.334 1.00 0.56 O ATOM 1164 CB THR A 77 -4.286 -8.053 -39.587 1.00 0.57 C ATOM 1165 OG1 THR A 77 -5.688 -7.746 -39.582 1.00 0.67 O ATOM 1166 CG2 THR A 77 -4.038 -9.320 -40.407 1.00 0.62 C ATOM 0 H THR A 77 -4.538 -6.299 -37.801 1.00 0.34 H new ATOM 0 HA THR A 77 -4.221 -9.141 -37.726 1.00 0.38 H new ATOM 0 HB THR A 77 -3.729 -7.236 -40.046 1.00 0.57 H new ATOM 0 HG1 THR A 77 -6.160 -8.382 -39.005 1.00 0.67 H new ATOM 0 HG21 THR A 77 -4.394 -9.169 -41.426 1.00 0.62 H new ATOM 0 HG22 THR A 77 -2.970 -9.539 -40.425 1.00 0.62 H new ATOM 0 HG23 THR A 77 -4.572 -10.156 -39.956 1.00 0.62 H new ATOM 1174 N ASN A 78 -1.788 -9.537 -37.907 1.00 0.44 N ATOM 1175 CA ASN A 78 -0.368 -9.810 -37.949 1.00 0.57 C ATOM 1176 C ASN A 78 0.091 -9.818 -39.396 1.00 0.66 C ATOM 1177 O ASN A 78 -0.210 -10.751 -40.132 1.00 0.70 O ATOM 1178 CB ASN A 78 -0.071 -11.168 -37.305 1.00 0.64 C ATOM 1179 CG ASN A 78 -0.325 -11.198 -35.804 1.00 1.10 C ATOM 1180 OD1 ASN A 78 -0.151 -10.067 -35.134 1.00 1.82 O flip ATOM 1181 ND2 ASN A 78 -0.675 -12.240 -35.247 1.00 1.54 N flip ATOM 0 H ASN A 78 -2.364 -10.350 -37.688 1.00 0.44 H new ATOM 0 HA ASN A 78 0.165 -9.037 -37.395 1.00 0.57 H new ATOM 0 HB2 ASN A 78 -0.685 -11.930 -37.784 1.00 0.64 H new ATOM 0 HB3 ASN A 78 0.970 -11.431 -37.495 1.00 0.64 H new ATOM 0 HD21 ASN A 78 -0.800 -13.093 -35.792 1.00 1.54 H new ATOM 0 HD22 ASN A 78 -0.840 -12.250 -34.240 1.00 1.54 H new ATOM 1188 N GLN A 79 0.801 -8.779 -39.805 1.00 0.79 N ATOM 1189 CA GLN A 79 1.212 -8.647 -41.199 1.00 0.91 C ATOM 1190 C GLN A 79 2.174 -9.756 -41.610 1.00 0.94 C ATOM 1191 O GLN A 79 2.401 -9.981 -42.799 1.00 1.06 O ATOM 1192 CB GLN A 79 1.842 -7.275 -41.457 1.00 1.09 C ATOM 1193 CG GLN A 79 2.973 -6.919 -40.502 1.00 1.18 C ATOM 1194 CD GLN A 79 3.682 -5.639 -40.906 1.00 1.43 C ATOM 1195 OE1 GLN A 79 3.776 -5.315 -42.091 1.00 1.95 O ATOM 1196 NE2 GLN A 79 4.190 -4.902 -39.930 1.00 1.90 N ATOM 0 H GLN A 79 1.105 -8.017 -39.198 1.00 0.79 H new ATOM 0 HA GLN A 79 0.314 -8.739 -41.810 1.00 0.91 H new ATOM 0 HB2 GLN A 79 2.222 -7.248 -42.478 1.00 1.09 H new ATOM 0 HB3 GLN A 79 1.067 -6.512 -41.385 1.00 1.09 H new ATOM 0 HG2 GLN A 79 2.574 -6.809 -39.494 1.00 1.18 H new ATOM 0 HG3 GLN A 79 3.693 -7.737 -40.472 1.00 1.18 H new ATOM 0 HE21 GLN A 79 4.092 -5.203 -38.960 1.00 1.90 H new ATOM 0 HE22 GLN A 79 4.679 -4.034 -40.148 1.00 1.90 H new ATOM 1205 N ARG A 80 2.734 -10.453 -40.631 1.00 0.93 N ATOM 1206 CA ARG A 80 3.661 -11.537 -40.916 1.00 1.03 C ATOM 1207 C ARG A 80 2.940 -12.878 -41.040 1.00 1.02 C ATOM 1208 O ARG A 80 3.227 -13.656 -41.952 1.00 1.21 O ATOM 1209 CB ARG A 80 4.745 -11.616 -39.840 1.00 1.18 C ATOM 1210 CG ARG A 80 5.847 -12.632 -40.130 1.00 1.35 C ATOM 1211 CD ARG A 80 6.626 -12.295 -41.397 1.00 1.67 C ATOM 1212 NE ARG A 80 5.820 -12.441 -42.610 1.00 2.41 N ATOM 1213 CZ ARG A 80 5.938 -11.656 -43.680 1.00 3.02 C ATOM 1214 NH1 ARG A 80 6.869 -10.708 -43.714 1.00 3.01 N ATOM 1215 NH2 ARG A 80 5.135 -11.825 -44.723 1.00 3.99 N ATOM 0 H ARG A 80 2.564 -10.288 -39.639 1.00 0.93 H new ATOM 0 HA ARG A 80 4.131 -11.321 -41.876 1.00 1.03 H new ATOM 0 HB2 ARG A 80 5.197 -10.631 -39.724 1.00 1.18 H new ATOM 0 HB3 ARG A 80 4.277 -11.867 -38.888 1.00 1.18 H new ATOM 0 HG2 ARG A 80 6.533 -12.672 -39.284 1.00 1.35 H new ATOM 0 HG3 ARG A 80 5.406 -13.624 -40.230 1.00 1.35 H new ATOM 0 HD2 ARG A 80 6.994 -11.271 -41.331 1.00 1.67 H new ATOM 0 HD3 ARG A 80 7.499 -12.944 -41.465 1.00 1.67 H new ATOM 0 HE ARG A 80 5.126 -13.188 -42.638 1.00 2.41 H new ATOM 0 HH11 ARG A 80 7.496 -10.580 -42.919 1.00 3.01 H new ATOM 0 HH12 ARG A 80 6.957 -10.109 -44.535 1.00 3.01 H new ATOM 0 HH21 ARG A 80 4.425 -12.557 -44.707 1.00 3.99 H new ATOM 0 HH22 ARG A 80 5.228 -11.223 -45.541 1.00 3.99 H new ATOM 1229 N ASN A 81 2.009 -13.147 -40.133 1.00 0.91 N ATOM 1230 CA ASN A 81 1.345 -14.447 -40.106 1.00 1.01 C ATOM 1231 C ASN A 81 0.024 -14.408 -40.872 1.00 0.87 C ATOM 1232 O ASN A 81 -0.385 -15.400 -41.475 1.00 1.04 O ATOM 1233 CB ASN A 81 1.093 -14.888 -38.662 1.00 1.16 C ATOM 1234 CG ASN A 81 0.575 -16.315 -38.578 1.00 1.53 C ATOM 1235 OD1 ASN A 81 -0.630 -16.554 -38.611 1.00 1.95 O ATOM 1236 ND2 ASN A 81 1.484 -17.269 -38.455 1.00 2.21 N ATOM 0 H ASN A 81 1.699 -12.493 -39.415 1.00 0.91 H new ATOM 0 HA ASN A 81 2.004 -15.167 -40.591 1.00 1.01 H new ATOM 0 HB2 ASN A 81 2.019 -14.805 -38.092 1.00 1.16 H new ATOM 0 HB3 ASN A 81 0.372 -14.214 -38.199 1.00 1.16 H new ATOM 0 HD21 ASN A 81 1.193 -18.244 -38.384 1.00 2.21 H new ATOM 0 HD22 ASN A 81 2.475 -17.029 -38.432 1.00 2.21 H new ATOM 1243 N GLY A 82 -0.631 -13.256 -40.855 1.00 0.68 N ATOM 1244 CA GLY A 82 -1.885 -13.095 -41.569 1.00 0.69 C ATOM 1245 C GLY A 82 -3.095 -13.125 -40.656 1.00 0.52 C ATOM 1246 O GLY A 82 -4.160 -12.628 -41.018 1.00 0.58 O ATOM 0 H GLY A 82 -0.315 -12.424 -40.357 1.00 0.68 H new ATOM 0 HA2 GLY A 82 -1.869 -12.149 -42.111 1.00 0.69 H new ATOM 0 HA3 GLY A 82 -1.978 -13.887 -42.312 1.00 0.69 H new ATOM 1250 N LYS A 83 -2.940 -13.699 -39.471 1.00 0.45 N ATOM 1251 CA LYS A 83 -4.034 -13.743 -38.515 1.00 0.39 C ATOM 1252 C LYS A 83 -3.966 -12.530 -37.616 1.00 0.35 C ATOM 1253 O LYS A 83 -3.000 -11.788 -37.655 1.00 0.49 O ATOM 1254 CB LYS A 83 -4.016 -15.026 -37.677 1.00 0.53 C ATOM 1255 CG LYS A 83 -2.767 -15.207 -36.826 1.00 0.64 C ATOM 1256 CD LYS A 83 -2.934 -16.352 -35.840 1.00 1.01 C ATOM 1257 CE LYS A 83 -1.691 -16.542 -34.985 1.00 1.61 C ATOM 1258 NZ LYS A 83 -1.881 -17.620 -33.982 1.00 2.42 N ATOM 0 H LYS A 83 -2.076 -14.136 -39.152 1.00 0.45 H new ATOM 0 HA LYS A 83 -4.970 -13.738 -39.074 1.00 0.39 H new ATOM 0 HB2 LYS A 83 -4.889 -15.031 -37.024 1.00 0.53 H new ATOM 0 HB3 LYS A 83 -4.113 -15.882 -38.345 1.00 0.53 H new ATOM 0 HG2 LYS A 83 -1.910 -15.401 -37.471 1.00 0.64 H new ATOM 0 HG3 LYS A 83 -2.556 -14.285 -36.284 1.00 0.64 H new ATOM 0 HD2 LYS A 83 -3.792 -16.156 -35.197 1.00 1.01 H new ATOM 0 HD3 LYS A 83 -3.146 -17.273 -36.384 1.00 1.01 H new ATOM 0 HE2 LYS A 83 -0.842 -16.784 -35.624 1.00 1.61 H new ATOM 0 HE3 LYS A 83 -1.452 -15.608 -34.476 1.00 1.61 H new ATOM 0 HZ1 LYS A 83 -1.015 -17.724 -33.416 1.00 2.42 H new ATOM 0 HZ2 LYS A 83 -2.676 -17.377 -33.357 1.00 2.42 H new ATOM 0 HZ3 LYS A 83 -2.085 -18.516 -34.469 1.00 2.42 H new ATOM 1272 N SER A 84 -4.983 -12.318 -36.808 1.00 0.31 N ATOM 1273 CA SER A 84 -5.029 -11.133 -35.975 1.00 0.25 C ATOM 1274 C SER A 84 -4.813 -11.477 -34.507 1.00 0.24 C ATOM 1275 O SER A 84 -4.700 -12.649 -34.143 1.00 0.30 O ATOM 1276 CB SER A 84 -6.361 -10.416 -36.183 1.00 0.27 C ATOM 1277 OG SER A 84 -6.537 -10.070 -37.550 1.00 1.08 O ATOM 0 H SER A 84 -5.783 -12.944 -36.710 1.00 0.31 H new ATOM 0 HA SER A 84 -4.218 -10.467 -36.268 1.00 0.25 H new ATOM 0 HB2 SER A 84 -7.180 -11.057 -35.857 1.00 0.27 H new ATOM 0 HB3 SER A 84 -6.396 -9.517 -35.568 1.00 0.27 H new ATOM 0 HG SER A 84 -7.396 -9.613 -37.664 1.00 1.08 H new ATOM 1283 N SER A 85 -4.759 -10.448 -33.675 1.00 0.20 N ATOM 1284 CA SER A 85 -4.538 -10.618 -32.247 1.00 0.20 C ATOM 1285 C SER A 85 -5.310 -9.556 -31.473 1.00 0.18 C ATOM 1286 O SER A 85 -5.623 -8.496 -32.018 1.00 0.26 O ATOM 1287 CB SER A 85 -3.042 -10.542 -31.931 1.00 0.25 C ATOM 1288 OG SER A 85 -2.429 -9.454 -32.606 1.00 0.87 O ATOM 0 H SER A 85 -4.866 -9.477 -33.968 1.00 0.20 H new ATOM 0 HA SER A 85 -4.901 -11.600 -31.943 1.00 0.20 H new ATOM 0 HB2 SER A 85 -2.900 -10.433 -30.856 1.00 0.25 H new ATOM 0 HB3 SER A 85 -2.558 -11.474 -32.223 1.00 0.25 H new ATOM 0 HG SER A 85 -1.474 -9.428 -32.385 1.00 0.87 H new ATOM 1294 N ALA A 86 -5.640 -9.856 -30.223 1.00 0.14 N ATOM 1295 CA ALA A 86 -6.371 -8.933 -29.380 1.00 0.12 C ATOM 1296 C ALA A 86 -5.409 -8.094 -28.553 1.00 0.13 C ATOM 1297 O ALA A 86 -4.647 -8.612 -27.742 1.00 0.17 O ATOM 1298 CB ALA A 86 -7.335 -9.689 -28.472 1.00 0.13 C ATOM 0 H ALA A 86 -5.408 -10.741 -29.772 1.00 0.14 H new ATOM 0 HA ALA A 86 -6.950 -8.266 -30.019 1.00 0.12 H new ATOM 0 HB1 ALA A 86 -7.876 -8.980 -27.845 1.00 0.13 H new ATOM 0 HB2 ALA A 86 -8.044 -10.250 -29.081 1.00 0.13 H new ATOM 0 HB3 ALA A 86 -6.775 -10.378 -27.840 1.00 0.13 H new ATOM 1304 N CYS A 87 -5.442 -6.800 -28.778 1.00 0.14 N ATOM 1305 CA CYS A 87 -4.636 -5.870 -28.011 1.00 0.17 C ATOM 1306 C CYS A 87 -5.540 -4.924 -27.247 1.00 0.17 C ATOM 1307 O CYS A 87 -6.610 -4.578 -27.737 1.00 0.21 O ATOM 1308 CB CYS A 87 -3.721 -5.089 -28.950 1.00 0.22 C ATOM 1309 SG CYS A 87 -2.334 -6.056 -29.591 1.00 0.68 S ATOM 0 H CYS A 87 -6.023 -6.362 -29.492 1.00 0.14 H new ATOM 0 HA CYS A 87 -4.021 -6.420 -27.299 1.00 0.17 H new ATOM 0 HB2 CYS A 87 -4.310 -4.716 -29.788 1.00 0.22 H new ATOM 0 HB3 CYS A 87 -3.331 -4.219 -28.422 1.00 0.22 H new ATOM 0 HG CYS A 87 -1.615 -5.313 -30.379 1.00 0.68 H new ATOM 1315 N ASN A 88 -5.118 -4.533 -26.047 1.00 0.17 N ATOM 1316 CA ASN A 88 -5.921 -3.663 -25.191 1.00 0.20 C ATOM 1317 C ASN A 88 -7.233 -4.359 -24.832 1.00 0.18 C ATOM 1318 O ASN A 88 -8.297 -4.025 -25.347 1.00 0.27 O ATOM 1319 CB ASN A 88 -6.176 -2.310 -25.874 1.00 0.27 C ATOM 1320 CG ASN A 88 -6.896 -1.306 -24.986 1.00 0.99 C ATOM 1321 OD1 ASN A 88 -6.633 -1.345 -23.686 1.00 1.82 O flip ATOM 1322 ND2 ASN A 88 -7.665 -0.476 -25.473 1.00 1.60 N flip ATOM 0 H ASN A 88 -4.222 -4.806 -25.644 1.00 0.17 H new ATOM 0 HA ASN A 88 -5.371 -3.466 -24.271 1.00 0.20 H new ATOM 0 HB2 ASN A 88 -5.223 -1.886 -26.189 1.00 0.27 H new ATOM 0 HB3 ASN A 88 -6.766 -2.473 -26.776 1.00 0.27 H new ATOM 0 HD21 ASN A 88 -7.845 -0.475 -26.477 1.00 1.60 H new ATOM 0 HD22 ASN A 88 -8.122 0.210 -24.872 1.00 1.60 H new ATOM 1329 N VAL A 89 -7.118 -5.372 -23.987 1.00 0.14 N ATOM 1330 CA VAL A 89 -8.260 -6.160 -23.555 1.00 0.15 C ATOM 1331 C VAL A 89 -8.896 -5.569 -22.303 1.00 0.19 C ATOM 1332 O VAL A 89 -8.245 -5.408 -21.277 1.00 0.32 O ATOM 1333 CB VAL A 89 -7.854 -7.631 -23.290 1.00 0.15 C ATOM 1334 CG1 VAL A 89 -9.016 -8.425 -22.710 1.00 0.22 C ATOM 1335 CG2 VAL A 89 -7.362 -8.283 -24.573 1.00 0.14 C ATOM 0 H VAL A 89 -6.231 -5.670 -23.582 1.00 0.14 H new ATOM 0 HA VAL A 89 -8.992 -6.137 -24.362 1.00 0.15 H new ATOM 0 HB VAL A 89 -7.045 -7.630 -22.560 1.00 0.15 H new ATOM 0 HG11 VAL A 89 -8.702 -9.454 -22.534 1.00 0.22 H new ATOM 0 HG12 VAL A 89 -9.330 -7.975 -21.768 1.00 0.22 H new ATOM 0 HG13 VAL A 89 -9.850 -8.415 -23.412 1.00 0.22 H new ATOM 0 HG21 VAL A 89 -7.080 -9.316 -24.371 1.00 0.14 H new ATOM 0 HG22 VAL A 89 -8.156 -8.263 -25.319 1.00 0.14 H new ATOM 0 HG23 VAL A 89 -6.496 -7.738 -24.949 1.00 0.14 H new ATOM 1345 N LEU A 90 -10.173 -5.239 -22.407 1.00 0.11 N ATOM 1346 CA LEU A 90 -10.930 -4.709 -21.286 1.00 0.16 C ATOM 1347 C LEU A 90 -11.985 -5.713 -20.853 1.00 0.11 C ATOM 1348 O LEU A 90 -12.499 -6.465 -21.677 1.00 0.13 O ATOM 1349 CB LEU A 90 -11.613 -3.380 -21.656 1.00 0.26 C ATOM 1350 CG LEU A 90 -10.738 -2.118 -21.641 1.00 0.43 C ATOM 1351 CD1 LEU A 90 -10.190 -1.851 -20.252 1.00 0.99 C ATOM 1352 CD2 LEU A 90 -9.607 -2.226 -22.638 1.00 1.12 C ATOM 0 H LEU A 90 -10.712 -5.331 -23.268 1.00 0.11 H new ATOM 0 HA LEU A 90 -10.235 -4.526 -20.467 1.00 0.16 H new ATOM 0 HB2 LEU A 90 -12.039 -3.485 -22.654 1.00 0.26 H new ATOM 0 HB3 LEU A 90 -12.445 -3.224 -20.969 1.00 0.26 H new ATOM 0 HG LEU A 90 -11.370 -1.278 -21.929 1.00 0.43 H new ATOM 0 HD11 LEU A 90 -9.574 -0.952 -20.270 1.00 0.99 H new ATOM 0 HD12 LEU A 90 -11.017 -1.710 -19.556 1.00 0.99 H new ATOM 0 HD13 LEU A 90 -9.585 -2.699 -19.930 1.00 0.99 H new ATOM 0 HD21 LEU A 90 -9.005 -1.318 -22.605 1.00 1.12 H new ATOM 0 HD22 LEU A 90 -8.983 -3.085 -22.389 1.00 1.12 H new ATOM 0 HD23 LEU A 90 -10.016 -2.353 -23.640 1.00 1.12 H new ATOM 1364 N LYS A 91 -12.306 -5.738 -19.566 1.00 0.16 N ATOM 1365 CA LYS A 91 -13.345 -6.627 -19.072 1.00 0.18 C ATOM 1366 C LYS A 91 -14.689 -5.933 -19.185 1.00 0.18 C ATOM 1367 O LYS A 91 -14.924 -4.890 -18.570 1.00 0.32 O ATOM 1368 CB LYS A 91 -13.078 -7.054 -17.624 1.00 0.27 C ATOM 1369 CG LYS A 91 -13.548 -8.476 -17.314 1.00 0.45 C ATOM 1370 CD LYS A 91 -15.056 -8.617 -17.362 1.00 0.59 C ATOM 1371 CE LYS A 91 -15.687 -8.286 -16.023 1.00 0.71 C ATOM 1372 NZ LYS A 91 -15.359 -9.314 -15.002 1.00 1.33 N ATOM 0 H LYS A 91 -11.865 -5.158 -18.852 1.00 0.16 H new ATOM 0 HA LYS A 91 -13.348 -7.532 -19.679 1.00 0.18 H new ATOM 0 HB2 LYS A 91 -12.009 -6.980 -17.422 1.00 0.27 H new ATOM 0 HB3 LYS A 91 -13.578 -6.359 -16.950 1.00 0.27 H new ATOM 0 HG2 LYS A 91 -13.100 -9.166 -18.029 1.00 0.45 H new ATOM 0 HG3 LYS A 91 -13.191 -8.765 -16.325 1.00 0.45 H new ATOM 0 HD2 LYS A 91 -15.460 -7.957 -18.129 1.00 0.59 H new ATOM 0 HD3 LYS A 91 -15.319 -9.636 -17.648 1.00 0.59 H new ATOM 0 HE2 LYS A 91 -15.337 -7.310 -15.685 1.00 0.71 H new ATOM 0 HE3 LYS A 91 -16.769 -8.215 -16.136 1.00 0.71 H new ATOM 0 HZ1 LYS A 91 -15.960 -9.176 -14.165 1.00 1.33 H new ATOM 0 HZ2 LYS A 91 -15.528 -10.261 -15.397 1.00 1.33 H new ATOM 0 HZ3 LYS A 91 -14.359 -9.226 -14.729 1.00 1.33 H new ATOM 1386 N ILE A 92 -15.559 -6.521 -19.973 1.00 0.16 N ATOM 1387 CA ILE A 92 -16.838 -5.926 -20.285 1.00 0.18 C ATOM 1388 C ILE A 92 -17.959 -6.621 -19.520 1.00 0.27 C ATOM 1389 O ILE A 92 -18.038 -7.851 -19.494 1.00 0.28 O ATOM 1390 CB ILE A 92 -17.107 -6.016 -21.801 1.00 0.16 C ATOM 1391 CG1 ILE A 92 -16.061 -5.214 -22.571 1.00 0.15 C ATOM 1392 CG2 ILE A 92 -18.503 -5.538 -22.150 1.00 0.21 C ATOM 1393 CD1 ILE A 92 -16.084 -3.729 -22.280 1.00 0.16 C ATOM 0 H ILE A 92 -15.400 -7.426 -20.416 1.00 0.16 H new ATOM 0 HA ILE A 92 -16.810 -4.878 -19.985 1.00 0.18 H new ATOM 0 HB ILE A 92 -17.036 -7.064 -22.091 1.00 0.16 H new ATOM 0 HG12 ILE A 92 -15.072 -5.605 -22.333 1.00 0.15 H new ATOM 0 HG13 ILE A 92 -16.216 -5.367 -23.639 1.00 0.15 H new ATOM 0 HG21 ILE A 92 -18.656 -5.616 -23.226 1.00 0.21 H new ATOM 0 HG22 ILE A 92 -19.238 -6.155 -21.633 1.00 0.21 H new ATOM 0 HG23 ILE A 92 -18.620 -4.499 -21.841 1.00 0.21 H new ATOM 0 HD11 ILE A 92 -15.311 -3.231 -22.866 1.00 0.16 H new ATOM 0 HD12 ILE A 92 -17.060 -3.321 -22.545 1.00 0.16 H new ATOM 0 HD13 ILE A 92 -15.898 -3.563 -21.219 1.00 0.16 H new