USER MOD reduce.3.24.130724 H: found=0, std=0, add=625, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 627 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 47 LYS NZ :NH3+ -173:sc= -0.94! (180deg=-2) USER MOD Set 1.2: A 91 SER OG : rot -129:sc= 0.689 USER MOD Single : A 24 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -2.17! K(o=-2.2!,f=-0.92) USER MOD Single : A 27 LYS NZ :NH3+ -162:sc= 1.13 (180deg=0.138) USER MOD Single : A 32 LYS NZ :NH3+ 147:sc= 0.0441 (180deg=-3.74!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 74:sc= 1.23 USER MOD Single : A 38 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00872) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.00877 USER MOD Single : A 54 SER OG : rot -41:sc= 0.285 USER MOD Single : A 61 SER OG : rot 170:sc= -1.78! USER MOD Single : A 62 ASN : amide:sc= -2.43! K(o=-2.4!,f=-1.9) USER MOD Single : A 63 ASN : amide:sc= 0.648 K(o=0.65,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 ASN : amide:sc= 1.18 K(o=1.2,f=-0.012) USER MOD Single : A 78 THR OG1 : rot 76:sc= 1.2 USER MOD Single : A 81 LYS NZ :NH3+ -168:sc= -0.0247 (180deg=-0.2) USER MOD Single : A 85 GLN : amide:sc= -0.381 X(o=-0.38,f=-0.21) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 92 MET CE :methyl -126:sc= -0.271 (180deg=-1.28) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 CYS SG : rot -140:sc= 0.422 USER MOD Single : A 95 HIS : no HE2:sc= -0.952 X(o=-0.95,f=-1.3) USER MOD Single : A 96 THR OG1 : rot 118:sc= 1.3 USER MOD Single : A 100 TYR OH : rot 78:sc= 0.00734 USER MOD Single : A 102 LYS NZ :NH3+ 166:sc= 1.31 (180deg=0.895) USER MOD ----------------------------------------------------------------- ATOM 358 N CYS A 24 2.620 15.072 -26.431 1.00 1.24 N ATOM 359 CA CYS A 24 1.414 15.766 -26.857 1.00 0.95 C ATOM 360 C CYS A 24 0.575 14.859 -27.754 1.00 0.84 C ATOM 361 O CYS A 24 1.110 13.938 -28.380 1.00 0.77 O ATOM 362 CB CYS A 24 1.793 17.043 -27.607 1.00 0.99 C ATOM 363 SG CYS A 24 2.976 18.094 -26.729 1.00 1.71 S ATOM 0 HA CYS A 24 0.825 16.029 -25.979 1.00 0.95 H new ATOM 0 HB2 CYS A 24 2.214 16.771 -28.575 1.00 0.99 H new ATOM 0 HB3 CYS A 24 0.888 17.618 -27.803 1.00 0.99 H new ATOM 0 HG CYS A 24 3.235 19.148 -27.445 1.00 1.71 H new ATOM 369 N ILE A 25 -0.729 15.123 -27.822 1.00 0.89 N ATOM 370 CA ILE A 25 -1.636 14.306 -28.625 1.00 0.88 C ATOM 371 C ILE A 25 -1.171 14.246 -30.083 1.00 0.74 C ATOM 372 O ILE A 25 -1.281 13.206 -30.732 1.00 0.71 O ATOM 373 CB ILE A 25 -3.101 14.817 -28.543 1.00 1.05 C ATOM 374 CG1 ILE A 25 -4.052 13.859 -29.264 1.00 1.11 C ATOM 375 CG2 ILE A 25 -3.233 16.224 -29.110 1.00 1.09 C ATOM 376 CD1 ILE A 25 -4.128 12.485 -28.631 1.00 1.37 C ATOM 0 H ILE A 25 -1.180 15.895 -27.331 1.00 0.89 H new ATOM 0 HA ILE A 25 -1.614 13.298 -28.210 1.00 0.88 H new ATOM 0 HB ILE A 25 -3.377 14.853 -27.489 1.00 1.05 H new ATOM 0 HG12 ILE A 25 -5.050 14.297 -29.282 1.00 1.11 H new ATOM 0 HG13 ILE A 25 -3.731 13.755 -30.301 1.00 1.11 H new ATOM 0 HG21 ILE A 25 -4.271 16.550 -29.037 1.00 1.09 H new ATOM 0 HG22 ILE A 25 -2.598 16.905 -28.544 1.00 1.09 H new ATOM 0 HG23 ILE A 25 -2.925 16.225 -30.156 1.00 1.09 H new ATOM 0 HD11 ILE A 25 -4.821 11.862 -29.196 1.00 1.37 H new ATOM 0 HD12 ILE A 25 -3.139 12.026 -28.638 1.00 1.37 H new ATOM 0 HD13 ILE A 25 -4.478 12.577 -27.603 1.00 1.37 H new ATOM 388 N GLN A 26 -0.614 15.352 -30.574 1.00 0.69 N ATOM 389 CA GLN A 26 -0.038 15.399 -31.914 1.00 0.64 C ATOM 390 C GLN A 26 0.978 14.276 -32.106 1.00 0.56 C ATOM 391 O GLN A 26 0.908 13.522 -33.072 1.00 0.59 O ATOM 392 CB GLN A 26 0.637 16.755 -32.146 1.00 0.70 C ATOM 393 CG GLN A 26 1.548 16.796 -33.366 1.00 0.80 C ATOM 394 CD GLN A 26 2.325 18.096 -33.470 1.00 1.23 C ATOM 395 OE1 GLN A 26 2.613 18.743 -32.464 1.00 1.75 O ATOM 396 NE2 GLN A 26 2.695 18.472 -34.683 1.00 1.54 N ATOM 0 H GLN A 26 -0.550 16.231 -30.060 1.00 0.69 H new ATOM 0 HA GLN A 26 -0.842 15.267 -32.638 1.00 0.64 H new ATOM 0 HB2 GLN A 26 -0.133 17.518 -32.256 1.00 0.70 H new ATOM 0 HB3 GLN A 26 1.220 17.015 -31.262 1.00 0.70 H new ATOM 0 HG2 GLN A 26 2.248 15.961 -33.321 1.00 0.80 H new ATOM 0 HG3 GLN A 26 0.949 16.662 -34.267 1.00 0.80 H new ATOM 0 HE21 GLN A 26 2.437 17.908 -35.493 1.00 1.54 H new ATOM 0 HE22 GLN A 26 3.239 19.326 -34.809 1.00 1.54 H new ATOM 405 N LYS A 27 1.897 14.157 -31.159 1.00 0.56 N ATOM 406 CA LYS A 27 2.997 13.208 -31.269 1.00 0.60 C ATOM 407 C LYS A 27 2.532 11.769 -31.110 1.00 0.58 C ATOM 408 O LYS A 27 3.186 10.850 -31.589 1.00 0.58 O ATOM 409 CB LYS A 27 4.095 13.540 -30.259 1.00 0.75 C ATOM 410 CG LYS A 27 4.819 14.834 -30.585 1.00 1.27 C ATOM 411 CD LYS A 27 5.310 14.824 -32.024 1.00 1.53 C ATOM 412 CE LYS A 27 5.981 16.128 -32.416 1.00 1.93 C ATOM 413 NZ LYS A 27 6.322 16.143 -33.860 1.00 2.50 N ATOM 0 H LYS A 27 1.903 14.709 -30.301 1.00 0.56 H new ATOM 0 HA LYS A 27 3.407 13.301 -32.275 1.00 0.60 H new ATOM 0 HB2 LYS A 27 3.657 13.614 -29.264 1.00 0.75 H new ATOM 0 HB3 LYS A 27 4.816 12.723 -30.230 1.00 0.75 H new ATOM 0 HG2 LYS A 27 4.150 15.681 -30.429 1.00 1.27 H new ATOM 0 HG3 LYS A 27 5.663 14.965 -29.908 1.00 1.27 H new ATOM 0 HD2 LYS A 27 6.013 14.002 -32.159 1.00 1.53 H new ATOM 0 HD3 LYS A 27 4.468 14.637 -32.691 1.00 1.53 H new ATOM 0 HE2 LYS A 27 5.320 16.964 -32.187 1.00 1.93 H new ATOM 0 HE3 LYS A 27 6.886 16.267 -31.824 1.00 1.93 H new ATOM 0 HZ1 LYS A 27 7.032 16.881 -34.041 1.00 2.50 H new ATOM 0 HZ2 LYS A 27 6.708 15.217 -34.135 1.00 2.50 H new ATOM 0 HZ3 LYS A 27 5.466 16.341 -34.417 1.00 2.50 H new ATOM 427 N VAL A 28 1.405 11.571 -30.441 1.00 0.62 N ATOM 428 CA VAL A 28 0.836 10.237 -30.307 1.00 0.68 C ATOM 429 C VAL A 28 0.361 9.736 -31.671 1.00 0.62 C ATOM 430 O VAL A 28 0.732 8.639 -32.117 1.00 0.62 O ATOM 431 CB VAL A 28 -0.339 10.219 -29.304 1.00 0.77 C ATOM 432 CG1 VAL A 28 -0.866 8.806 -29.114 1.00 1.03 C ATOM 433 CG2 VAL A 28 0.089 10.812 -27.971 1.00 1.04 C ATOM 0 H VAL A 28 0.870 12.310 -29.986 1.00 0.62 H new ATOM 0 HA VAL A 28 1.615 9.577 -29.924 1.00 0.68 H new ATOM 0 HB VAL A 28 -1.144 10.830 -29.712 1.00 0.77 H new ATOM 0 HG11 VAL A 28 -1.693 8.818 -28.404 1.00 1.03 H new ATOM 0 HG12 VAL A 28 -1.215 8.416 -30.070 1.00 1.03 H new ATOM 0 HG13 VAL A 28 -0.069 8.169 -28.732 1.00 1.03 H new ATOM 0 HG21 VAL A 28 -0.751 10.791 -27.277 1.00 1.04 H new ATOM 0 HG22 VAL A 28 0.913 10.228 -27.561 1.00 1.04 H new ATOM 0 HG23 VAL A 28 0.412 11.842 -28.118 1.00 1.04 H new ATOM 443 N ILE A 29 -0.448 10.559 -32.331 1.00 0.60 N ATOM 444 CA ILE A 29 -0.918 10.275 -33.683 1.00 0.57 C ATOM 445 C ILE A 29 0.271 10.164 -34.634 1.00 0.52 C ATOM 446 O ILE A 29 0.396 9.201 -35.394 1.00 0.51 O ATOM 447 CB ILE A 29 -1.895 11.379 -34.193 1.00 0.62 C ATOM 448 CG1 ILE A 29 -3.297 11.215 -33.586 1.00 0.75 C ATOM 449 CG2 ILE A 29 -1.993 11.369 -35.712 1.00 0.67 C ATOM 450 CD1 ILE A 29 -3.371 11.407 -32.088 1.00 0.79 C ATOM 0 H ILE A 29 -0.795 11.438 -31.946 1.00 0.60 H new ATOM 0 HA ILE A 29 -1.459 9.329 -33.656 1.00 0.57 H new ATOM 0 HB ILE A 29 -1.486 12.337 -33.871 1.00 0.62 H new ATOM 0 HG12 ILE A 29 -3.969 11.929 -34.062 1.00 0.75 H new ATOM 0 HG13 ILE A 29 -3.667 10.219 -33.828 1.00 0.75 H new ATOM 0 HG21 ILE A 29 -2.681 12.149 -36.037 1.00 0.67 H new ATOM 0 HG22 ILE A 29 -1.008 11.552 -36.141 1.00 0.67 H new ATOM 0 HG23 ILE A 29 -2.360 10.399 -36.047 1.00 0.67 H new ATOM 0 HD11 ILE A 29 -4.400 11.271 -31.754 1.00 0.79 H new ATOM 0 HD12 ILE A 29 -2.730 10.676 -31.595 1.00 0.79 H new ATOM 0 HD13 ILE A 29 -3.036 12.413 -31.833 1.00 0.79 H new ATOM 462 N GLU A 30 1.153 11.149 -34.548 1.00 0.53 N ATOM 463 CA GLU A 30 2.327 11.234 -35.403 1.00 0.55 C ATOM 464 C GLU A 30 3.180 9.971 -35.294 1.00 0.55 C ATOM 465 O GLU A 30 3.539 9.370 -36.304 1.00 0.58 O ATOM 466 CB GLU A 30 3.145 12.459 -35.003 1.00 0.64 C ATOM 467 CG GLU A 30 4.165 12.903 -36.034 1.00 0.99 C ATOM 468 CD GLU A 30 4.996 14.061 -35.529 1.00 1.49 C ATOM 469 OE1 GLU A 30 4.433 15.163 -35.350 1.00 2.20 O ATOM 470 OE2 GLU A 30 6.204 13.871 -35.270 1.00 1.84 O ATOM 0 H GLU A 30 1.074 11.915 -33.880 1.00 0.53 H new ATOM 0 HA GLU A 30 2.004 11.327 -36.440 1.00 0.55 H new ATOM 0 HB2 GLU A 30 2.463 13.286 -34.807 1.00 0.64 H new ATOM 0 HB3 GLU A 30 3.663 12.244 -34.068 1.00 0.64 H new ATOM 0 HG2 GLU A 30 4.818 12.067 -36.284 1.00 0.99 H new ATOM 0 HG3 GLU A 30 3.653 13.194 -36.952 1.00 0.99 H new ATOM 477 N ASP A 31 3.476 9.568 -34.061 1.00 0.57 N ATOM 478 CA ASP A 31 4.321 8.401 -33.803 1.00 0.64 C ATOM 479 C ASP A 31 3.773 7.149 -34.471 1.00 0.57 C ATOM 480 O ASP A 31 4.497 6.450 -35.183 1.00 0.61 O ATOM 481 CB ASP A 31 4.454 8.156 -32.297 1.00 0.80 C ATOM 482 CG ASP A 31 5.137 6.839 -31.976 1.00 1.05 C ATOM 483 OD1 ASP A 31 6.384 6.806 -31.902 1.00 1.17 O ATOM 484 OD2 ASP A 31 4.427 5.829 -31.777 1.00 1.67 O ATOM 0 H ASP A 31 3.141 10.035 -33.218 1.00 0.57 H new ATOM 0 HA ASP A 31 5.302 8.615 -34.227 1.00 0.64 H new ATOM 0 HB2 ASP A 31 5.020 8.973 -31.849 1.00 0.80 H new ATOM 0 HB3 ASP A 31 3.463 8.167 -31.842 1.00 0.80 H new ATOM 489 N LYS A 32 2.493 6.869 -34.252 1.00 0.53 N ATOM 490 CA LYS A 32 1.898 5.641 -34.767 1.00 0.55 C ATOM 491 C LYS A 32 1.905 5.586 -36.294 1.00 0.48 C ATOM 492 O LYS A 32 2.300 4.572 -36.871 1.00 0.52 O ATOM 493 CB LYS A 32 0.484 5.444 -34.226 1.00 0.67 C ATOM 494 CG LYS A 32 0.458 4.741 -32.877 1.00 0.97 C ATOM 495 CD LYS A 32 -0.964 4.468 -32.412 1.00 1.09 C ATOM 496 CE LYS A 32 -1.466 5.533 -31.449 1.00 1.51 C ATOM 497 NZ LYS A 32 -1.398 6.899 -32.025 1.00 2.03 N ATOM 0 H LYS A 32 1.854 7.467 -33.728 1.00 0.53 H new ATOM 0 HA LYS A 32 2.521 4.820 -34.413 1.00 0.55 H new ATOM 0 HB2 LYS A 32 -0.002 6.415 -34.133 1.00 0.67 H new ATOM 0 HB3 LYS A 32 -0.096 4.864 -34.943 1.00 0.67 H new ATOM 0 HG2 LYS A 32 1.005 3.801 -32.946 1.00 0.97 H new ATOM 0 HG3 LYS A 32 0.971 5.355 -32.137 1.00 0.97 H new ATOM 0 HD2 LYS A 32 -1.625 4.422 -33.277 1.00 1.09 H new ATOM 0 HD3 LYS A 32 -1.005 3.493 -31.927 1.00 1.09 H new ATOM 0 HE2 LYS A 32 -2.496 5.310 -31.171 1.00 1.51 H new ATOM 0 HE3 LYS A 32 -0.875 5.498 -30.534 1.00 1.51 H new ATOM 0 HZ1 LYS A 32 -2.186 7.470 -31.658 1.00 2.03 H new ATOM 0 HZ2 LYS A 32 -0.495 7.343 -31.760 1.00 2.03 H new ATOM 0 HZ3 LYS A 32 -1.465 6.843 -33.061 1.00 2.03 H new ATOM 511 N LEU A 33 1.496 6.663 -36.953 1.00 0.44 N ATOM 512 CA LEU A 33 1.478 6.669 -38.413 1.00 0.44 C ATOM 513 C LEU A 33 2.898 6.718 -38.974 1.00 0.46 C ATOM 514 O LEU A 33 3.167 6.200 -40.059 1.00 0.51 O ATOM 515 CB LEU A 33 0.609 7.816 -38.965 1.00 0.47 C ATOM 516 CG LEU A 33 0.951 9.238 -38.498 1.00 0.48 C ATOM 517 CD1 LEU A 33 2.103 9.827 -39.301 1.00 0.57 C ATOM 518 CD2 LEU A 33 -0.278 10.126 -38.606 1.00 0.55 C ATOM 0 H LEU A 33 1.178 7.527 -36.513 1.00 0.44 H new ATOM 0 HA LEU A 33 1.021 5.736 -38.745 1.00 0.44 H new ATOM 0 HB2 LEU A 33 0.670 7.793 -40.053 1.00 0.47 H new ATOM 0 HB3 LEU A 33 -0.428 7.613 -38.699 1.00 0.47 H new ATOM 0 HG LEU A 33 1.268 9.186 -37.456 1.00 0.48 H new ATOM 0 HD11 LEU A 33 2.318 10.834 -38.944 1.00 0.57 H new ATOM 0 HD12 LEU A 33 2.988 9.202 -39.180 1.00 0.57 H new ATOM 0 HD13 LEU A 33 1.829 9.867 -40.355 1.00 0.57 H new ATOM 0 HD21 LEU A 33 -0.029 11.134 -38.273 1.00 0.55 H new ATOM 0 HD22 LEU A 33 -0.613 10.159 -39.643 1.00 0.55 H new ATOM 0 HD23 LEU A 33 -1.074 9.723 -37.980 1.00 0.55 H new ATOM 530 N SER A 34 3.811 7.319 -38.218 1.00 0.47 N ATOM 531 CA SER A 34 5.209 7.379 -38.611 1.00 0.53 C ATOM 532 C SER A 34 5.835 5.991 -38.538 1.00 0.54 C ATOM 533 O SER A 34 6.649 5.622 -39.377 1.00 0.59 O ATOM 534 CB SER A 34 5.972 8.362 -37.715 1.00 0.60 C ATOM 535 OG SER A 34 7.296 8.564 -38.174 1.00 1.29 O ATOM 0 H SER A 34 3.604 7.772 -37.328 1.00 0.47 H new ATOM 0 HA SER A 34 5.270 7.733 -39.640 1.00 0.53 H new ATOM 0 HB2 SER A 34 5.445 9.316 -37.689 1.00 0.60 H new ATOM 0 HB3 SER A 34 5.994 7.982 -36.693 1.00 0.60 H new ATOM 0 HG SER A 34 7.754 9.197 -37.582 1.00 1.29 H new ATOM 541 N SER A 35 5.434 5.216 -37.543 1.00 0.55 N ATOM 542 CA SER A 35 5.943 3.862 -37.384 1.00 0.62 C ATOM 543 C SER A 35 5.385 2.932 -38.461 1.00 0.59 C ATOM 544 O SER A 35 6.027 1.955 -38.845 1.00 0.65 O ATOM 545 CB SER A 35 5.589 3.332 -35.993 1.00 0.72 C ATOM 546 OG SER A 35 6.059 4.210 -34.981 1.00 0.78 O ATOM 0 H SER A 35 4.758 5.500 -36.834 1.00 0.55 H new ATOM 0 HA SER A 35 7.027 3.890 -37.493 1.00 0.62 H new ATOM 0 HB2 SER A 35 4.508 3.217 -35.907 1.00 0.72 H new ATOM 0 HB3 SER A 35 6.026 2.343 -35.854 1.00 0.72 H new ATOM 0 HG SER A 35 5.498 5.013 -34.958 1.00 0.78 H new ATOM 552 N ALA A 36 4.194 3.251 -38.955 1.00 0.54 N ATOM 553 CA ALA A 36 3.513 2.397 -39.921 1.00 0.57 C ATOM 554 C ALA A 36 4.050 2.594 -41.338 1.00 0.51 C ATOM 555 O ALA A 36 4.465 1.636 -41.988 1.00 0.52 O ATOM 556 CB ALA A 36 2.016 2.659 -39.883 1.00 0.64 C ATOM 0 H ALA A 36 3.680 4.095 -38.702 1.00 0.54 H new ATOM 0 HA ALA A 36 3.707 1.362 -39.641 1.00 0.57 H new ATOM 0 HB1 ALA A 36 1.516 2.017 -40.608 1.00 0.64 H new ATOM 0 HB2 ALA A 36 1.634 2.445 -38.885 1.00 0.64 H new ATOM 0 HB3 ALA A 36 1.823 3.703 -40.129 1.00 0.64 H new ATOM 562 N LEU A 37 4.043 3.835 -41.815 1.00 0.50 N ATOM 563 CA LEU A 37 4.482 4.123 -43.180 1.00 0.53 C ATOM 564 C LEU A 37 5.983 4.389 -43.217 1.00 0.52 C ATOM 565 O LEU A 37 6.631 4.182 -44.243 1.00 0.62 O ATOM 566 CB LEU A 37 3.717 5.316 -43.775 1.00 0.57 C ATOM 567 CG LEU A 37 2.253 5.051 -44.153 1.00 0.70 C ATOM 568 CD1 LEU A 37 1.380 4.885 -42.917 1.00 0.86 C ATOM 569 CD2 LEU A 37 1.722 6.177 -45.028 1.00 0.94 C ATOM 0 H LEU A 37 3.741 4.652 -41.284 1.00 0.50 H new ATOM 0 HA LEU A 37 4.265 3.245 -43.788 1.00 0.53 H new ATOM 0 HB2 LEU A 37 3.744 6.135 -43.057 1.00 0.57 H new ATOM 0 HB3 LEU A 37 4.247 5.655 -44.665 1.00 0.57 H new ATOM 0 HG LEU A 37 2.217 4.117 -44.714 1.00 0.70 H new ATOM 0 HD11 LEU A 37 0.350 4.699 -43.221 1.00 0.86 H new ATOM 0 HD12 LEU A 37 1.742 4.043 -42.326 1.00 0.86 H new ATOM 0 HD13 LEU A 37 1.422 5.794 -42.317 1.00 0.86 H new ATOM 0 HD21 LEU A 37 0.683 5.976 -45.289 1.00 0.94 H new ATOM 0 HD22 LEU A 37 1.784 7.120 -44.485 1.00 0.94 H new ATOM 0 HD23 LEU A 37 2.318 6.243 -45.938 1.00 0.94 H new ATOM 581 N LYS A 38 6.514 4.839 -42.084 1.00 0.47 N ATOM 582 CA LYS A 38 7.945 5.098 -41.919 1.00 0.52 C ATOM 583 C LYS A 38 8.440 6.149 -42.915 1.00 0.47 C ATOM 584 O LYS A 38 9.045 5.827 -43.940 1.00 0.54 O ATOM 585 CB LYS A 38 8.740 3.796 -42.046 1.00 0.70 C ATOM 586 CG LYS A 38 10.138 3.863 -41.456 1.00 1.32 C ATOM 587 CD LYS A 38 10.784 2.487 -41.432 1.00 1.93 C ATOM 588 CE LYS A 38 9.976 1.502 -40.597 1.00 2.67 C ATOM 589 NZ LYS A 38 10.031 1.816 -39.144 1.00 3.36 N ATOM 0 H LYS A 38 5.963 5.036 -41.249 1.00 0.47 H new ATOM 0 HA LYS A 38 8.104 5.501 -40.919 1.00 0.52 H new ATOM 0 HB2 LYS A 38 8.187 2.996 -41.553 1.00 0.70 H new ATOM 0 HB3 LYS A 38 8.815 3.530 -43.100 1.00 0.70 H new ATOM 0 HG2 LYS A 38 10.752 4.547 -42.042 1.00 1.32 H new ATOM 0 HG3 LYS A 38 10.091 4.265 -40.444 1.00 1.32 H new ATOM 0 HD2 LYS A 38 10.877 2.110 -42.451 1.00 1.93 H new ATOM 0 HD3 LYS A 38 11.793 2.565 -41.028 1.00 1.93 H new ATOM 0 HE2 LYS A 38 8.938 1.513 -40.930 1.00 2.67 H new ATOM 0 HE3 LYS A 38 10.354 0.493 -40.763 1.00 2.67 H new ATOM 0 HZ1 LYS A 38 9.509 1.090 -38.612 1.00 3.36 H new ATOM 0 HZ2 LYS A 38 11.022 1.830 -38.829 1.00 3.36 H new ATOM 0 HZ3 LYS A 38 9.600 2.747 -38.973 1.00 3.36 H new ATOM 603 N PRO A 39 8.166 7.429 -42.626 1.00 0.46 N ATOM 604 CA PRO A 39 8.531 8.534 -43.492 1.00 0.47 C ATOM 605 C PRO A 39 9.881 9.152 -43.140 1.00 0.51 C ATOM 606 O PRO A 39 10.369 9.029 -42.015 1.00 0.63 O ATOM 607 CB PRO A 39 7.403 9.528 -43.233 1.00 0.50 C ATOM 608 CG PRO A 39 6.981 9.287 -41.815 1.00 0.54 C ATOM 609 CD PRO A 39 7.467 7.908 -41.426 1.00 0.52 C ATOM 0 HA PRO A 39 8.642 8.227 -44.532 1.00 0.47 H new ATOM 0 HB2 PRO A 39 7.743 10.554 -43.373 1.00 0.50 H new ATOM 0 HB3 PRO A 39 6.574 9.370 -43.922 1.00 0.50 H new ATOM 0 HG2 PRO A 39 7.405 10.044 -41.155 1.00 0.54 H new ATOM 0 HG3 PRO A 39 5.897 9.353 -41.721 1.00 0.54 H new ATOM 0 HD2 PRO A 39 8.133 7.947 -40.564 1.00 0.52 H new ATOM 0 HD3 PRO A 39 6.638 7.253 -41.158 1.00 0.52 H new ATOM 617 N THR A 40 10.478 9.823 -44.111 1.00 0.52 N ATOM 618 CA THR A 40 11.711 10.548 -43.887 1.00 0.61 C ATOM 619 C THR A 40 11.400 11.974 -43.452 1.00 0.62 C ATOM 620 O THR A 40 12.173 12.600 -42.724 1.00 0.73 O ATOM 621 CB THR A 40 12.586 10.565 -45.155 1.00 0.67 C ATOM 622 OG1 THR A 40 11.791 10.925 -46.294 1.00 0.70 O ATOM 623 CG2 THR A 40 13.232 9.207 -45.388 1.00 0.71 C ATOM 0 H THR A 40 10.124 9.879 -45.066 1.00 0.52 H new ATOM 0 HA THR A 40 12.267 10.040 -43.099 1.00 0.61 H new ATOM 0 HB THR A 40 13.375 11.303 -45.015 1.00 0.67 H new ATOM 0 HG1 THR A 40 12.354 10.935 -47.096 1.00 0.70 H new ATOM 0 HG21 THR A 40 13.844 9.245 -46.289 1.00 0.71 H new ATOM 0 HG22 THR A 40 13.859 8.951 -44.534 1.00 0.71 H new ATOM 0 HG23 THR A 40 12.456 8.451 -45.508 1.00 0.71 H new ATOM 631 N PHE A 41 10.249 12.472 -43.891 1.00 0.54 N ATOM 632 CA PHE A 41 9.806 13.807 -43.523 1.00 0.55 C ATOM 633 C PHE A 41 8.315 13.797 -43.210 1.00 0.48 C ATOM 634 O PHE A 41 7.534 13.122 -43.885 1.00 0.45 O ATOM 635 CB PHE A 41 10.109 14.802 -44.649 1.00 0.57 C ATOM 636 CG PHE A 41 9.747 16.225 -44.318 1.00 0.62 C ATOM 637 CD1 PHE A 41 10.530 16.969 -43.450 1.00 0.69 C ATOM 638 CD2 PHE A 41 8.625 16.818 -44.878 1.00 0.62 C ATOM 639 CE1 PHE A 41 10.201 18.277 -43.144 1.00 0.76 C ATOM 640 CE2 PHE A 41 8.292 18.125 -44.576 1.00 0.70 C ATOM 641 CZ PHE A 41 9.080 18.855 -43.708 1.00 0.75 C ATOM 0 H PHE A 41 9.607 11.968 -44.503 1.00 0.54 H new ATOM 0 HA PHE A 41 10.349 14.121 -42.632 1.00 0.55 H new ATOM 0 HB2 PHE A 41 11.172 14.754 -44.887 1.00 0.57 H new ATOM 0 HB3 PHE A 41 9.567 14.498 -45.545 1.00 0.57 H new ATOM 0 HD1 PHE A 41 11.408 16.522 -43.007 1.00 0.69 H new ATOM 0 HD2 PHE A 41 8.005 16.252 -45.557 1.00 0.62 H new ATOM 0 HE1 PHE A 41 10.819 18.846 -42.465 1.00 0.76 H new ATOM 0 HE2 PHE A 41 7.416 18.575 -45.019 1.00 0.70 H new ATOM 0 HZ PHE A 41 8.820 19.876 -43.470 1.00 0.75 H new ATOM 651 N LEU A 42 7.933 14.533 -42.176 1.00 0.50 N ATOM 652 CA LEU A 42 6.540 14.633 -41.773 1.00 0.48 C ATOM 653 C LEU A 42 6.250 16.060 -41.317 1.00 0.54 C ATOM 654 O LEU A 42 6.837 16.538 -40.344 1.00 0.64 O ATOM 655 CB LEU A 42 6.247 13.641 -40.636 1.00 0.53 C ATOM 656 CG LEU A 42 4.843 13.013 -40.628 1.00 0.60 C ATOM 657 CD1 LEU A 42 3.754 14.075 -40.571 1.00 1.03 C ATOM 658 CD2 LEU A 42 4.652 12.123 -41.846 1.00 1.55 C ATOM 0 H LEU A 42 8.576 15.074 -41.597 1.00 0.50 H new ATOM 0 HA LEU A 42 5.898 14.387 -42.619 1.00 0.48 H new ATOM 0 HB2 LEU A 42 6.982 12.837 -40.685 1.00 0.53 H new ATOM 0 HB3 LEU A 42 6.398 14.154 -39.686 1.00 0.53 H new ATOM 0 HG LEU A 42 4.759 12.404 -39.728 1.00 0.60 H new ATOM 0 HD11 LEU A 42 2.776 13.594 -40.567 1.00 1.03 H new ATOM 0 HD12 LEU A 42 3.871 14.667 -39.663 1.00 1.03 H new ATOM 0 HD13 LEU A 42 3.834 14.726 -41.442 1.00 1.03 H new ATOM 0 HD21 LEU A 42 3.653 11.687 -41.825 1.00 1.55 H new ATOM 0 HD22 LEU A 42 4.769 12.717 -42.753 1.00 1.55 H new ATOM 0 HD23 LEU A 42 5.396 11.327 -41.835 1.00 1.55 H new ATOM 670 N GLU A 43 5.372 16.743 -42.031 1.00 0.57 N ATOM 671 CA GLU A 43 4.987 18.096 -41.657 1.00 0.69 C ATOM 672 C GLU A 43 3.521 18.135 -41.259 1.00 0.60 C ATOM 673 O GLU A 43 2.653 17.655 -41.990 1.00 0.53 O ATOM 674 CB GLU A 43 5.266 19.085 -42.795 1.00 0.82 C ATOM 675 CG GLU A 43 4.839 20.512 -42.474 1.00 1.00 C ATOM 676 CD GLU A 43 5.537 21.547 -43.332 1.00 1.62 C ATOM 677 OE1 GLU A 43 6.624 22.005 -42.932 1.00 2.23 O ATOM 678 OE2 GLU A 43 4.999 21.917 -44.400 1.00 2.19 O ATOM 0 H GLU A 43 4.913 16.387 -42.869 1.00 0.57 H new ATOM 0 HA GLU A 43 5.590 18.397 -40.800 1.00 0.69 H new ATOM 0 HB2 GLU A 43 6.332 19.075 -43.022 1.00 0.82 H new ATOM 0 HB3 GLU A 43 4.746 18.751 -43.693 1.00 0.82 H new ATOM 0 HG2 GLU A 43 3.761 20.602 -42.611 1.00 1.00 H new ATOM 0 HG3 GLU A 43 5.046 20.720 -41.424 1.00 1.00 H new ATOM 685 N LEU A 44 3.258 18.687 -40.085 1.00 0.67 N ATOM 686 CA LEU A 44 1.903 18.795 -39.576 1.00 0.65 C ATOM 687 C LEU A 44 1.356 20.191 -39.830 1.00 0.64 C ATOM 688 O LEU A 44 1.867 21.180 -39.305 1.00 0.77 O ATOM 689 CB LEU A 44 1.848 18.472 -38.075 1.00 0.82 C ATOM 690 CG LEU A 44 2.001 16.990 -37.699 1.00 0.97 C ATOM 691 CD1 LEU A 44 0.964 16.144 -38.424 1.00 1.27 C ATOM 692 CD2 LEU A 44 3.407 16.490 -37.992 1.00 1.72 C ATOM 0 H LEU A 44 3.972 19.069 -39.464 1.00 0.67 H new ATOM 0 HA LEU A 44 1.285 18.068 -40.103 1.00 0.65 H new ATOM 0 HB2 LEU A 44 2.634 19.037 -37.573 1.00 0.82 H new ATOM 0 HB3 LEU A 44 0.897 18.830 -37.681 1.00 0.82 H new ATOM 0 HG LEU A 44 1.832 16.896 -36.626 1.00 0.97 H new ATOM 0 HD11 LEU A 44 1.088 15.098 -38.145 1.00 1.27 H new ATOM 0 HD12 LEU A 44 -0.036 16.477 -38.146 1.00 1.27 H new ATOM 0 HD13 LEU A 44 1.096 16.250 -39.501 1.00 1.27 H new ATOM 0 HD21 LEU A 44 3.484 15.438 -37.715 1.00 1.72 H new ATOM 0 HD22 LEU A 44 3.619 16.602 -39.055 1.00 1.72 H new ATOM 0 HD23 LEU A 44 4.127 17.071 -37.415 1.00 1.72 H new ATOM 704 N VAL A 45 0.323 20.255 -40.648 1.00 0.57 N ATOM 705 CA VAL A 45 -0.327 21.508 -40.981 1.00 0.63 C ATOM 706 C VAL A 45 -1.639 21.617 -40.209 1.00 0.60 C ATOM 707 O VAL A 45 -2.294 20.608 -39.940 1.00 0.56 O ATOM 708 CB VAL A 45 -0.609 21.604 -42.502 1.00 0.73 C ATOM 709 CG1 VAL A 45 -1.150 22.976 -42.876 1.00 1.08 C ATOM 710 CG2 VAL A 45 0.646 21.285 -43.303 1.00 0.90 C ATOM 0 H VAL A 45 -0.089 19.439 -41.101 1.00 0.57 H new ATOM 0 HA VAL A 45 0.338 22.327 -40.705 1.00 0.63 H new ATOM 0 HB VAL A 45 -1.372 20.865 -42.748 1.00 0.73 H new ATOM 0 HG11 VAL A 45 -1.338 23.013 -43.949 1.00 1.08 H new ATOM 0 HG12 VAL A 45 -2.080 23.159 -42.338 1.00 1.08 H new ATOM 0 HG13 VAL A 45 -0.420 23.740 -42.609 1.00 1.08 H new ATOM 0 HG21 VAL A 45 0.426 21.358 -44.368 1.00 0.90 H new ATOM 0 HG22 VAL A 45 1.432 21.994 -43.045 1.00 0.90 H new ATOM 0 HG23 VAL A 45 0.979 20.274 -43.070 1.00 0.90 H new ATOM 720 N ASP A 46 -2.001 22.829 -39.829 1.00 0.76 N ATOM 721 CA ASP A 46 -3.248 23.061 -39.117 1.00 0.83 C ATOM 722 C ASP A 46 -4.430 22.836 -40.056 1.00 0.80 C ATOM 723 O ASP A 46 -4.457 23.367 -41.168 1.00 0.99 O ATOM 724 CB ASP A 46 -3.281 24.486 -38.563 1.00 1.16 C ATOM 725 CG ASP A 46 -4.326 24.681 -37.478 1.00 1.38 C ATOM 726 OD1 ASP A 46 -5.376 24.008 -37.515 1.00 1.83 O ATOM 727 OD2 ASP A 46 -4.087 25.515 -36.576 1.00 1.57 O ATOM 0 H ASP A 46 -1.450 23.670 -40.001 1.00 0.76 H new ATOM 0 HA ASP A 46 -3.317 22.360 -38.285 1.00 0.83 H new ATOM 0 HB2 ASP A 46 -2.299 24.736 -38.162 1.00 1.16 H new ATOM 0 HB3 ASP A 46 -3.479 25.182 -39.378 1.00 1.16 H new ATOM 732 N LYS A 47 -5.393 22.041 -39.613 1.00 0.81 N ATOM 733 CA LYS A 47 -6.569 21.749 -40.419 1.00 1.03 C ATOM 734 C LYS A 47 -7.475 22.971 -40.482 1.00 1.12 C ATOM 735 O LYS A 47 -8.154 23.208 -41.483 1.00 1.66 O ATOM 736 CB LYS A 47 -7.344 20.566 -39.830 1.00 1.36 C ATOM 737 CG LYS A 47 -7.579 19.407 -40.791 1.00 1.85 C ATOM 738 CD LYS A 47 -8.340 19.828 -42.042 1.00 2.14 C ATOM 739 CE LYS A 47 -7.395 20.175 -43.182 1.00 2.34 C ATOM 740 NZ LYS A 47 -6.531 19.018 -43.536 1.00 2.76 N ATOM 0 H LYS A 47 -5.383 21.587 -38.700 1.00 0.81 H new ATOM 0 HA LYS A 47 -6.240 21.490 -41.425 1.00 1.03 H new ATOM 0 HB2 LYS A 47 -6.803 20.193 -38.961 1.00 1.36 H new ATOM 0 HB3 LYS A 47 -8.310 20.925 -39.474 1.00 1.36 H new ATOM 0 HG2 LYS A 47 -6.619 18.980 -41.081 1.00 1.85 H new ATOM 0 HG3 LYS A 47 -8.135 18.622 -40.279 1.00 1.85 H new ATOM 0 HD2 LYS A 47 -9.005 19.022 -42.352 1.00 2.14 H new ATOM 0 HD3 LYS A 47 -8.968 20.689 -41.814 1.00 2.14 H new ATOM 0 HE2 LYS A 47 -7.971 20.482 -44.055 1.00 2.34 H new ATOM 0 HE3 LYS A 47 -6.773 21.023 -42.896 1.00 2.34 H new ATOM 0 HZ1 LYS A 47 -5.818 19.317 -44.232 1.00 2.76 H new ATOM 0 HZ2 LYS A 47 -6.054 18.667 -42.681 1.00 2.76 H new ATOM 0 HZ3 LYS A 47 -7.115 18.260 -43.943 1.00 2.76 H new ATOM 815 N SER A 54 -8.116 18.809 -35.061 1.00 1.25 N ATOM 816 CA SER A 54 -7.955 18.202 -36.372 1.00 1.00 C ATOM 817 C SER A 54 -6.604 18.577 -36.965 1.00 0.82 C ATOM 818 O SER A 54 -6.173 19.725 -36.856 1.00 0.89 O ATOM 819 CB SER A 54 -9.100 18.641 -37.287 1.00 1.14 C ATOM 820 OG SER A 54 -9.336 20.035 -37.181 1.00 1.71 O ATOM 0 HA SER A 54 -7.987 17.117 -36.274 1.00 1.00 H new ATOM 0 HB2 SER A 54 -8.861 18.388 -38.320 1.00 1.14 H new ATOM 0 HB3 SER A 54 -10.007 18.095 -37.026 1.00 1.14 H new ATOM 0 HG SER A 54 -9.266 20.308 -36.242 1.00 1.71 H new ATOM 826 N PHE A 55 -5.935 17.613 -37.587 1.00 0.67 N ATOM 827 CA PHE A 55 -4.594 17.840 -38.105 1.00 0.60 C ATOM 828 C PHE A 55 -4.479 17.428 -39.567 1.00 0.52 C ATOM 829 O PHE A 55 -5.212 16.557 -40.047 1.00 0.50 O ATOM 830 CB PHE A 55 -3.560 17.068 -37.280 1.00 0.67 C ATOM 831 CG PHE A 55 -3.467 17.506 -35.845 1.00 0.81 C ATOM 832 CD1 PHE A 55 -2.846 18.699 -35.510 1.00 0.86 C ATOM 833 CD2 PHE A 55 -3.994 16.720 -34.831 1.00 0.99 C ATOM 834 CE1 PHE A 55 -2.753 19.100 -34.190 1.00 1.03 C ATOM 835 CE2 PHE A 55 -3.905 17.118 -33.511 1.00 1.15 C ATOM 836 CZ PHE A 55 -3.285 18.308 -33.189 1.00 1.15 C ATOM 0 H PHE A 55 -6.298 16.673 -37.744 1.00 0.67 H new ATOM 0 HA PHE A 55 -4.398 18.910 -38.030 1.00 0.60 H new ATOM 0 HB2 PHE A 55 -3.807 16.007 -37.309 1.00 0.67 H new ATOM 0 HB3 PHE A 55 -2.582 17.180 -37.747 1.00 0.67 H new ATOM 0 HD1 PHE A 55 -2.430 19.322 -36.288 1.00 0.86 H new ATOM 0 HD2 PHE A 55 -4.479 15.787 -35.076 1.00 0.99 H new ATOM 0 HE1 PHE A 55 -2.265 20.031 -33.941 1.00 1.03 H new ATOM 0 HE2 PHE A 55 -4.321 16.498 -32.731 1.00 1.15 H new ATOM 0 HZ PHE A 55 -3.215 18.620 -32.157 1.00 1.15 H new ATOM 846 N ASP A 56 -3.565 18.076 -40.266 1.00 0.51 N ATOM 847 CA ASP A 56 -3.230 17.731 -41.637 1.00 0.52 C ATOM 848 C ASP A 56 -1.798 17.208 -41.661 1.00 0.50 C ATOM 849 O ASP A 56 -0.923 17.789 -41.029 1.00 0.55 O ATOM 850 CB ASP A 56 -3.367 18.969 -42.525 1.00 0.58 C ATOM 851 CG ASP A 56 -3.203 18.673 -44.000 1.00 0.64 C ATOM 852 OD1 ASP A 56 -2.055 18.542 -44.461 1.00 1.35 O ATOM 853 OD2 ASP A 56 -4.231 18.607 -44.707 1.00 1.23 O ATOM 0 H ASP A 56 -3.030 18.862 -39.896 1.00 0.51 H new ATOM 0 HA ASP A 56 -3.905 16.964 -42.016 1.00 0.52 H new ATOM 0 HB2 ASP A 56 -4.346 19.419 -42.359 1.00 0.58 H new ATOM 0 HB3 ASP A 56 -2.622 19.706 -42.225 1.00 0.58 H new ATOM 858 N ALA A 57 -1.556 16.108 -42.348 1.00 0.48 N ATOM 859 CA ALA A 57 -0.238 15.496 -42.316 1.00 0.48 C ATOM 860 C ALA A 57 0.343 15.301 -43.706 1.00 0.44 C ATOM 861 O ALA A 57 -0.241 14.619 -44.556 1.00 0.46 O ATOM 862 CB ALA A 57 -0.290 14.167 -41.582 1.00 0.51 C ATOM 0 H ALA A 57 -2.242 15.624 -42.927 1.00 0.48 H new ATOM 0 HA ALA A 57 0.420 16.182 -41.782 1.00 0.48 H new ATOM 0 HB1 ALA A 57 0.704 13.721 -41.566 1.00 0.51 H new ATOM 0 HB2 ALA A 57 -0.631 14.329 -40.560 1.00 0.51 H new ATOM 0 HB3 ALA A 57 -0.981 13.496 -42.093 1.00 0.51 H new ATOM 868 N VAL A 58 1.496 15.908 -43.931 1.00 0.42 N ATOM 869 CA VAL A 58 2.256 15.663 -45.140 1.00 0.41 C ATOM 870 C VAL A 58 3.256 14.542 -44.879 1.00 0.39 C ATOM 871 O VAL A 58 4.212 14.714 -44.119 1.00 0.41 O ATOM 872 CB VAL A 58 3.011 16.926 -45.607 1.00 0.48 C ATOM 873 CG1 VAL A 58 3.739 16.665 -46.918 1.00 0.51 C ATOM 874 CG2 VAL A 58 2.058 18.104 -45.750 1.00 0.55 C ATOM 0 H VAL A 58 1.925 16.575 -43.289 1.00 0.42 H new ATOM 0 HA VAL A 58 1.560 15.380 -45.929 1.00 0.41 H new ATOM 0 HB VAL A 58 3.752 17.177 -44.848 1.00 0.48 H new ATOM 0 HG11 VAL A 58 4.264 17.568 -47.229 1.00 0.51 H new ATOM 0 HG12 VAL A 58 4.457 15.857 -46.781 1.00 0.51 H new ATOM 0 HG13 VAL A 58 3.018 16.383 -47.685 1.00 0.51 H new ATOM 0 HG21 VAL A 58 2.612 18.983 -46.080 1.00 0.55 H new ATOM 0 HG22 VAL A 58 1.289 17.863 -46.484 1.00 0.55 H new ATOM 0 HG23 VAL A 58 1.589 18.311 -44.788 1.00 0.55 H new ATOM 884 N ILE A 59 3.027 13.398 -45.500 1.00 0.38 N ATOM 885 CA ILE A 59 3.870 12.237 -45.280 1.00 0.40 C ATOM 886 C ILE A 59 4.785 12.007 -46.473 1.00 0.44 C ATOM 887 O ILE A 59 4.323 11.838 -47.599 1.00 0.65 O ATOM 888 CB ILE A 59 3.015 10.974 -44.959 1.00 0.49 C ATOM 889 CG1 ILE A 59 3.850 9.677 -45.000 1.00 1.18 C ATOM 890 CG2 ILE A 59 1.811 10.875 -45.887 1.00 0.77 C ATOM 891 CD1 ILE A 59 3.896 8.988 -46.359 1.00 0.80 C ATOM 0 H ILE A 59 2.264 13.249 -46.160 1.00 0.38 H new ATOM 0 HA ILE A 59 4.499 12.430 -44.411 1.00 0.40 H new ATOM 0 HB ILE A 59 2.652 11.089 -43.938 1.00 0.49 H new ATOM 0 HG12 ILE A 59 4.869 9.908 -44.691 1.00 1.18 H new ATOM 0 HG13 ILE A 59 3.446 8.978 -44.268 1.00 1.18 H new ATOM 0 HG21 ILE A 59 1.233 9.984 -45.640 1.00 0.77 H new ATOM 0 HG22 ILE A 59 1.185 11.759 -45.766 1.00 0.77 H new ATOM 0 HG23 ILE A 59 2.152 10.811 -46.920 1.00 0.77 H new ATOM 0 HD11 ILE A 59 4.505 8.087 -46.290 1.00 0.80 H new ATOM 0 HD12 ILE A 59 2.885 8.720 -46.665 1.00 0.80 H new ATOM 0 HD13 ILE A 59 4.331 9.664 -47.095 1.00 0.80 H new ATOM 903 N VAL A 60 6.083 12.038 -46.216 1.00 0.39 N ATOM 904 CA VAL A 60 7.079 11.822 -47.253 1.00 0.42 C ATOM 905 C VAL A 60 7.879 10.552 -46.966 1.00 0.40 C ATOM 906 O VAL A 60 8.702 10.532 -46.045 1.00 0.44 O ATOM 907 CB VAL A 60 8.039 13.028 -47.357 1.00 0.51 C ATOM 908 CG1 VAL A 60 9.069 12.808 -48.452 1.00 0.58 C ATOM 909 CG2 VAL A 60 7.265 14.314 -47.604 1.00 0.58 C ATOM 0 H VAL A 60 6.474 12.212 -45.290 1.00 0.39 H new ATOM 0 HA VAL A 60 6.555 11.710 -48.202 1.00 0.42 H new ATOM 0 HB VAL A 60 8.566 13.121 -46.407 1.00 0.51 H new ATOM 0 HG11 VAL A 60 9.733 13.671 -48.506 1.00 0.58 H new ATOM 0 HG12 VAL A 60 9.652 11.915 -48.229 1.00 0.58 H new ATOM 0 HG13 VAL A 60 8.562 12.681 -49.408 1.00 0.58 H new ATOM 0 HG21 VAL A 60 7.961 15.150 -47.674 1.00 0.58 H new ATOM 0 HG22 VAL A 60 6.706 14.229 -48.536 1.00 0.58 H new ATOM 0 HG23 VAL A 60 6.573 14.486 -46.780 1.00 0.58 H new ATOM 919 N SER A 61 7.625 9.496 -47.738 1.00 0.39 N ATOM 920 CA SER A 61 8.311 8.220 -47.546 1.00 0.42 C ATOM 921 C SER A 61 8.371 7.428 -48.850 1.00 0.42 C ATOM 922 O SER A 61 7.530 7.602 -49.736 1.00 0.43 O ATOM 923 CB SER A 61 7.599 7.383 -46.480 1.00 0.45 C ATOM 924 OG SER A 61 6.270 7.085 -46.872 1.00 0.84 O ATOM 0 H SER A 61 6.949 9.499 -48.502 1.00 0.39 H new ATOM 0 HA SER A 61 9.327 8.438 -47.218 1.00 0.42 H new ATOM 0 HB2 SER A 61 8.149 6.457 -46.313 1.00 0.45 H new ATOM 0 HB3 SER A 61 7.590 7.924 -45.534 1.00 0.45 H new ATOM 0 HG SER A 61 5.889 6.421 -46.260 1.00 0.84 H new ATOM 930 N ASN A 62 9.382 6.578 -48.971 1.00 0.51 N ATOM 931 CA ASN A 62 9.507 5.683 -50.118 1.00 0.57 C ATOM 932 C ASN A 62 8.407 4.630 -50.145 1.00 0.56 C ATOM 933 O ASN A 62 8.155 4.027 -51.173 1.00 0.59 O ATOM 934 CB ASN A 62 10.879 5.009 -50.159 1.00 0.75 C ATOM 935 CG ASN A 62 11.938 5.883 -50.802 1.00 0.86 C ATOM 936 OD1 ASN A 62 12.147 5.838 -52.014 1.00 1.67 O ATOM 937 ND2 ASN A 62 12.612 6.684 -49.995 1.00 0.76 N ATOM 0 H ASN A 62 10.132 6.488 -48.286 1.00 0.51 H new ATOM 0 HA ASN A 62 9.400 6.306 -51.006 1.00 0.57 H new ATOM 0 HB2 ASN A 62 11.187 4.758 -49.144 1.00 0.75 H new ATOM 0 HB3 ASN A 62 10.803 4.072 -50.710 1.00 0.75 H new ATOM 0 HD21 ASN A 62 13.336 7.295 -50.372 1.00 0.76 H new ATOM 0 HD22 ASN A 62 12.408 6.691 -48.996 1.00 0.76 H new ATOM 944 N ASN A 63 7.758 4.387 -49.013 1.00 0.57 N ATOM 945 CA ASN A 63 6.716 3.358 -48.939 1.00 0.66 C ATOM 946 C ASN A 63 5.655 3.550 -50.036 1.00 0.67 C ATOM 947 O ASN A 63 5.023 2.590 -50.473 1.00 0.86 O ATOM 948 CB ASN A 63 6.051 3.363 -47.554 1.00 0.73 C ATOM 949 CG ASN A 63 5.068 2.215 -47.372 1.00 1.03 C ATOM 950 OD1 ASN A 63 5.447 1.119 -46.956 1.00 1.81 O ATOM 951 ND2 ASN A 63 3.798 2.460 -47.665 1.00 1.00 N ATOM 0 H ASN A 63 7.929 4.881 -48.137 1.00 0.57 H new ATOM 0 HA ASN A 63 7.195 2.392 -49.099 1.00 0.66 H new ATOM 0 HB2 ASN A 63 6.821 3.302 -46.785 1.00 0.73 H new ATOM 0 HB3 ASN A 63 5.530 4.309 -47.409 1.00 0.73 H new ATOM 0 HD21 ASN A 63 3.097 1.728 -47.548 1.00 1.00 H new ATOM 0 HD22 ASN A 63 3.522 3.380 -48.007 1.00 1.00 H new ATOM 958 N PHE A 64 5.500 4.785 -50.508 1.00 0.60 N ATOM 959 CA PHE A 64 4.448 5.110 -51.466 1.00 0.67 C ATOM 960 C PHE A 64 4.968 5.192 -52.915 1.00 0.60 C ATOM 961 O PHE A 64 4.184 5.415 -53.842 1.00 0.65 O ATOM 962 CB PHE A 64 3.782 6.431 -51.056 1.00 0.80 C ATOM 963 CG PHE A 64 2.500 6.727 -51.783 1.00 1.48 C ATOM 964 CD1 PHE A 64 1.390 5.913 -51.617 1.00 1.84 C ATOM 965 CD2 PHE A 64 2.403 7.819 -52.631 1.00 2.11 C ATOM 966 CE1 PHE A 64 0.209 6.183 -52.282 1.00 2.66 C ATOM 967 CE2 PHE A 64 1.225 8.094 -53.299 1.00 2.95 C ATOM 968 CZ PHE A 64 0.126 7.275 -53.124 1.00 3.19 C ATOM 0 H PHE A 64 6.088 5.575 -50.243 1.00 0.60 H new ATOM 0 HA PHE A 64 3.717 4.301 -51.447 1.00 0.67 H new ATOM 0 HB2 PHE A 64 3.582 6.407 -49.985 1.00 0.80 H new ATOM 0 HB3 PHE A 64 4.483 7.248 -51.231 1.00 0.80 H new ATOM 0 HD1 PHE A 64 1.449 5.058 -50.960 1.00 1.84 H new ATOM 0 HD2 PHE A 64 3.259 8.463 -52.771 1.00 2.11 H new ATOM 0 HE1 PHE A 64 -0.648 5.541 -52.144 1.00 2.66 H new ATOM 0 HE2 PHE A 64 1.163 8.948 -53.957 1.00 2.95 H new ATOM 0 HZ PHE A 64 -0.796 7.488 -53.644 1.00 3.19 H new ATOM 978 N GLU A 65 6.272 4.995 -53.134 1.00 0.58 N ATOM 979 CA GLU A 65 6.818 5.087 -54.501 1.00 0.61 C ATOM 980 C GLU A 65 6.418 3.887 -55.348 1.00 0.65 C ATOM 981 O GLU A 65 6.502 3.926 -56.574 1.00 0.75 O ATOM 982 CB GLU A 65 8.352 5.283 -54.531 1.00 0.71 C ATOM 983 CG GLU A 65 9.186 4.285 -53.731 1.00 0.87 C ATOM 984 CD GLU A 65 9.103 2.852 -54.223 1.00 1.55 C ATOM 985 OE1 GLU A 65 9.711 2.539 -55.267 1.00 2.11 O ATOM 986 OE2 GLU A 65 8.447 2.026 -53.554 1.00 2.14 O ATOM 0 H GLU A 65 6.956 4.777 -52.409 1.00 0.58 H new ATOM 0 HA GLU A 65 6.374 5.983 -54.935 1.00 0.61 H new ATOM 0 HB2 GLU A 65 8.680 5.245 -55.570 1.00 0.71 H new ATOM 0 HB3 GLU A 65 8.574 6.285 -54.163 1.00 0.71 H new ATOM 0 HG2 GLU A 65 10.228 4.603 -53.753 1.00 0.87 H new ATOM 0 HG3 GLU A 65 8.865 4.317 -52.690 1.00 0.87 H new ATOM 993 N ASP A 66 5.951 2.833 -54.694 1.00 0.69 N ATOM 994 CA ASP A 66 5.570 1.610 -55.389 1.00 0.84 C ATOM 995 C ASP A 66 4.180 1.759 -56.000 1.00 0.80 C ATOM 996 O ASP A 66 3.620 0.808 -56.550 1.00 0.93 O ATOM 997 CB ASP A 66 5.608 0.427 -54.419 1.00 1.00 C ATOM 998 CG ASP A 66 5.831 -0.894 -55.125 1.00 1.40 C ATOM 999 OD1 ASP A 66 6.908 -1.067 -55.733 1.00 1.94 O ATOM 1000 OD2 ASP A 66 4.946 -1.773 -55.058 1.00 2.03 O ATOM 0 H ASP A 66 5.826 2.799 -53.682 1.00 0.69 H new ATOM 0 HA ASP A 66 6.279 1.424 -56.195 1.00 0.84 H new ATOM 0 HB2 ASP A 66 6.403 0.584 -53.690 1.00 1.00 H new ATOM 0 HB3 ASP A 66 4.670 0.385 -53.865 1.00 1.00 H new ATOM 1005 N LYS A 67 3.633 2.974 -55.889 1.00 0.78 N ATOM 1006 CA LYS A 67 2.324 3.316 -56.449 1.00 0.88 C ATOM 1007 C LYS A 67 1.225 2.483 -55.803 1.00 0.78 C ATOM 1008 O LYS A 67 0.171 2.252 -56.398 1.00 0.86 O ATOM 1009 CB LYS A 67 2.310 3.123 -57.973 1.00 1.17 C ATOM 1010 CG LYS A 67 3.391 3.907 -58.707 1.00 1.67 C ATOM 1011 CD LYS A 67 3.322 5.399 -58.406 1.00 2.00 C ATOM 1012 CE LYS A 67 2.007 6.013 -58.860 1.00 2.46 C ATOM 1013 NZ LYS A 67 1.934 7.460 -58.529 1.00 3.31 N ATOM 0 H LYS A 67 4.088 3.749 -55.407 1.00 0.78 H new ATOM 0 HA LYS A 67 2.135 4.368 -56.234 1.00 0.88 H new ATOM 0 HB2 LYS A 67 2.430 2.063 -58.196 1.00 1.17 H new ATOM 0 HB3 LYS A 67 1.335 3.421 -58.358 1.00 1.17 H new ATOM 0 HG2 LYS A 67 4.371 3.525 -58.422 1.00 1.67 H new ATOM 0 HG3 LYS A 67 3.287 3.749 -59.780 1.00 1.67 H new ATOM 0 HD2 LYS A 67 3.446 5.559 -57.335 1.00 2.00 H new ATOM 0 HD3 LYS A 67 4.149 5.907 -58.901 1.00 2.00 H new ATOM 0 HE2 LYS A 67 1.895 5.880 -59.936 1.00 2.46 H new ATOM 0 HE3 LYS A 67 1.177 5.489 -58.386 1.00 2.46 H new ATOM 0 HZ1 LYS A 67 1.024 7.845 -58.853 1.00 3.31 H new ATOM 0 HZ2 LYS A 67 2.016 7.585 -57.500 1.00 3.31 H new ATOM 0 HZ3 LYS A 67 2.711 7.964 -59.002 1.00 3.31 H new ATOM 1027 N LYS A 68 1.470 2.055 -54.573 1.00 0.83 N ATOM 1028 CA LYS A 68 0.534 1.201 -53.864 1.00 0.90 C ATOM 1029 C LYS A 68 -0.562 2.005 -53.188 1.00 0.82 C ATOM 1030 O LYS A 68 -0.378 2.539 -52.094 1.00 0.87 O ATOM 1031 CB LYS A 68 1.264 0.340 -52.836 1.00 1.16 C ATOM 1032 CG LYS A 68 2.057 -0.790 -53.457 1.00 1.35 C ATOM 1033 CD LYS A 68 1.151 -1.738 -54.224 1.00 1.37 C ATOM 1034 CE LYS A 68 1.955 -2.798 -54.945 1.00 1.55 C ATOM 1035 NZ LYS A 68 1.104 -3.668 -55.800 1.00 1.99 N ATOM 0 H LYS A 68 2.312 2.287 -54.046 1.00 0.83 H new ATOM 0 HA LYS A 68 0.064 0.552 -54.603 1.00 0.90 H new ATOM 0 HB2 LYS A 68 1.937 0.971 -52.256 1.00 1.16 H new ATOM 0 HB3 LYS A 68 0.537 -0.076 -52.139 1.00 1.16 H new ATOM 0 HG2 LYS A 68 2.813 -0.382 -54.128 1.00 1.35 H new ATOM 0 HG3 LYS A 68 2.586 -1.339 -52.677 1.00 1.35 H new ATOM 0 HD2 LYS A 68 0.451 -2.213 -53.536 1.00 1.37 H new ATOM 0 HD3 LYS A 68 0.557 -1.175 -54.944 1.00 1.37 H new ATOM 0 HE2 LYS A 68 2.715 -2.318 -55.562 1.00 1.55 H new ATOM 0 HE3 LYS A 68 2.480 -3.413 -54.214 1.00 1.55 H new ATOM 0 HZ1 LYS A 68 1.699 -4.378 -56.273 1.00 1.99 H new ATOM 0 HZ2 LYS A 68 0.395 -4.148 -55.210 1.00 1.99 H new ATOM 0 HZ3 LYS A 68 0.623 -3.087 -56.516 1.00 1.99 H new ATOM 1049 N LEU A 69 -1.699 2.083 -53.853 1.00 0.84 N ATOM 1050 CA LEU A 69 -2.867 2.735 -53.292 1.00 0.91 C ATOM 1051 C LEU A 69 -3.461 1.840 -52.213 1.00 0.85 C ATOM 1052 O LEU A 69 -3.798 2.303 -51.124 1.00 0.83 O ATOM 1053 CB LEU A 69 -3.891 3.028 -54.406 1.00 1.16 C ATOM 1054 CG LEU A 69 -5.069 3.948 -54.034 1.00 1.63 C ATOM 1055 CD1 LEU A 69 -6.129 3.202 -53.237 1.00 1.97 C ATOM 1056 CD2 LEU A 69 -4.577 5.161 -53.255 1.00 2.33 C ATOM 0 H LEU A 69 -1.839 1.700 -54.788 1.00 0.84 H new ATOM 0 HA LEU A 69 -2.587 3.687 -52.841 1.00 0.91 H new ATOM 0 HB2 LEU A 69 -3.361 3.476 -55.247 1.00 1.16 H new ATOM 0 HB3 LEU A 69 -4.297 2.078 -54.754 1.00 1.16 H new ATOM 0 HG LEU A 69 -5.527 4.289 -54.963 1.00 1.63 H new ATOM 0 HD11 LEU A 69 -6.945 3.882 -52.992 1.00 1.97 H new ATOM 0 HD12 LEU A 69 -6.514 2.372 -53.830 1.00 1.97 H new ATOM 0 HD13 LEU A 69 -5.689 2.817 -52.317 1.00 1.97 H new ATOM 0 HD21 LEU A 69 -5.424 5.799 -53.002 1.00 2.33 H new ATOM 0 HD22 LEU A 69 -4.085 4.831 -52.340 1.00 2.33 H new ATOM 0 HD23 LEU A 69 -3.870 5.723 -53.865 1.00 2.33 H new ATOM 1068 N LEU A 70 -3.553 0.546 -52.513 1.00 0.89 N ATOM 1069 CA LEU A 70 -4.142 -0.411 -51.584 1.00 0.91 C ATOM 1070 C LEU A 70 -3.273 -0.590 -50.337 1.00 0.79 C ATOM 1071 O LEU A 70 -3.797 -0.793 -49.243 1.00 0.80 O ATOM 1072 CB LEU A 70 -4.464 -1.769 -52.271 1.00 1.06 C ATOM 1073 CG LEU A 70 -3.301 -2.677 -52.750 1.00 1.09 C ATOM 1074 CD1 LEU A 70 -2.282 -1.920 -53.584 1.00 1.03 C ATOM 1075 CD2 LEU A 70 -2.632 -3.397 -51.587 1.00 1.07 C ATOM 0 H LEU A 70 -3.228 0.139 -53.390 1.00 0.89 H new ATOM 0 HA LEU A 70 -5.095 0.004 -51.255 1.00 0.91 H new ATOM 0 HB2 LEU A 70 -5.068 -2.352 -51.576 1.00 1.06 H new ATOM 0 HB3 LEU A 70 -5.091 -1.556 -53.137 1.00 1.06 H new ATOM 0 HG LEU A 70 -3.747 -3.432 -53.397 1.00 1.09 H new ATOM 0 HD11 LEU A 70 -1.489 -2.600 -53.895 1.00 1.03 H new ATOM 0 HD12 LEU A 70 -2.770 -1.505 -54.466 1.00 1.03 H new ATOM 0 HD13 LEU A 70 -1.855 -1.111 -52.991 1.00 1.03 H new ATOM 0 HD21 LEU A 70 -1.823 -4.023 -51.964 1.00 1.07 H new ATOM 0 HD22 LEU A 70 -2.229 -2.664 -50.889 1.00 1.07 H new ATOM 0 HD23 LEU A 70 -3.365 -4.021 -51.075 1.00 1.07 H new ATOM 1087 N ASP A 71 -1.952 -0.489 -50.492 1.00 0.72 N ATOM 1088 CA ASP A 71 -1.048 -0.589 -49.346 1.00 0.70 C ATOM 1089 C ASP A 71 -1.251 0.604 -48.426 1.00 0.63 C ATOM 1090 O ASP A 71 -1.466 0.445 -47.225 1.00 0.63 O ATOM 1091 CB ASP A 71 0.409 -0.664 -49.808 1.00 0.77 C ATOM 1092 CG ASP A 71 1.398 -0.694 -48.655 1.00 1.25 C ATOM 1093 OD1 ASP A 71 1.485 -1.730 -47.966 1.00 1.58 O ATOM 1094 OD2 ASP A 71 2.118 0.306 -48.459 1.00 2.08 O ATOM 0 H ASP A 71 -1.489 -0.340 -51.388 1.00 0.72 H new ATOM 0 HA ASP A 71 -1.276 -1.504 -48.800 1.00 0.70 H new ATOM 0 HB2 ASP A 71 0.545 -1.556 -50.419 1.00 0.77 H new ATOM 0 HB3 ASP A 71 0.627 0.194 -50.444 1.00 0.77 H new ATOM 1099 N ARG A 72 -1.225 1.795 -49.012 1.00 0.67 N ATOM 1100 CA ARG A 72 -1.480 3.027 -48.276 1.00 0.74 C ATOM 1101 C ARG A 72 -2.856 2.954 -47.616 1.00 0.67 C ATOM 1102 O ARG A 72 -3.024 3.310 -46.450 1.00 0.68 O ATOM 1103 CB ARG A 72 -1.400 4.223 -49.242 1.00 0.92 C ATOM 1104 CG ARG A 72 -1.189 5.580 -48.575 1.00 1.31 C ATOM 1105 CD ARG A 72 -2.459 6.126 -47.935 1.00 1.53 C ATOM 1106 NE ARG A 72 -3.535 6.335 -48.907 1.00 1.92 N ATOM 1107 CZ ARG A 72 -3.873 7.527 -49.403 1.00 2.22 C ATOM 1108 NH1 ARG A 72 -3.159 8.606 -49.099 1.00 2.39 N ATOM 1109 NH2 ARG A 72 -4.923 7.637 -50.211 1.00 2.93 N ATOM 0 H ARG A 72 -1.028 1.934 -50.003 1.00 0.67 H new ATOM 0 HA ARG A 72 -0.730 3.156 -47.496 1.00 0.74 H new ATOM 0 HB2 ARG A 72 -0.584 4.050 -49.944 1.00 0.92 H new ATOM 0 HB3 ARG A 72 -2.320 4.261 -49.826 1.00 0.92 H new ATOM 0 HG2 ARG A 72 -0.414 5.489 -47.814 1.00 1.31 H new ATOM 0 HG3 ARG A 72 -0.826 6.292 -49.316 1.00 1.31 H new ATOM 0 HD2 ARG A 72 -2.800 5.434 -47.165 1.00 1.53 H new ATOM 0 HD3 ARG A 72 -2.234 7.070 -47.439 1.00 1.53 H new ATOM 0 HE ARG A 72 -4.058 5.519 -49.224 1.00 1.92 H new ATOM 0 HH11 ARG A 72 -2.349 8.525 -48.484 1.00 2.39 H new ATOM 0 HH12 ARG A 72 -3.421 9.515 -49.480 1.00 2.39 H new ATOM 0 HH21 ARG A 72 -5.470 6.810 -50.452 1.00 2.93 H new ATOM 0 HH22 ARG A 72 -5.182 8.548 -50.590 1.00 2.93 H new ATOM 1123 N HIS A 73 -3.830 2.468 -48.372 1.00 0.68 N ATOM 1124 CA HIS A 73 -5.203 2.342 -47.900 1.00 0.71 C ATOM 1125 C HIS A 73 -5.304 1.401 -46.697 1.00 0.62 C ATOM 1126 O HIS A 73 -5.887 1.759 -45.673 1.00 0.62 O ATOM 1127 CB HIS A 73 -6.095 1.850 -49.047 1.00 0.82 C ATOM 1128 CG HIS A 73 -7.511 1.539 -48.657 1.00 0.93 C ATOM 1129 ND1 HIS A 73 -8.473 2.506 -48.456 1.00 1.11 N ATOM 1130 CD2 HIS A 73 -8.129 0.351 -48.453 1.00 1.00 C ATOM 1131 CE1 HIS A 73 -9.619 1.924 -48.148 1.00 1.21 C ATOM 1132 NE2 HIS A 73 -9.436 0.619 -48.139 1.00 1.15 N ATOM 0 H HIS A 73 -3.691 2.149 -49.331 1.00 0.68 H new ATOM 0 HA HIS A 73 -5.544 3.323 -47.570 1.00 0.71 H new ATOM 0 HB2 HIS A 73 -6.107 2.609 -49.830 1.00 0.82 H new ATOM 0 HB3 HIS A 73 -5.647 0.955 -49.478 1.00 0.82 H new ATOM 0 HD2 HIS A 73 -7.676 -0.627 -48.525 1.00 1.00 H new ATOM 0 HE1 HIS A 73 -10.549 2.432 -47.939 1.00 1.21 H new ATOM 0 HE2 HIS A 73 -10.151 -0.078 -47.932 1.00 1.15 H new ATOM 1141 N ARG A 74 -4.736 0.206 -46.819 1.00 0.60 N ATOM 1142 CA ARG A 74 -4.881 -0.806 -45.779 1.00 0.59 C ATOM 1143 C ARG A 74 -4.046 -0.459 -44.545 1.00 0.51 C ATOM 1144 O ARG A 74 -4.475 -0.704 -43.418 1.00 0.52 O ATOM 1145 CB ARG A 74 -4.525 -2.201 -46.317 1.00 0.68 C ATOM 1146 CG ARG A 74 -3.049 -2.403 -46.623 1.00 0.74 C ATOM 1147 CD ARG A 74 -2.814 -3.660 -47.448 1.00 0.86 C ATOM 1148 NE ARG A 74 -3.418 -4.851 -46.847 1.00 0.88 N ATOM 1149 CZ ARG A 74 -2.726 -5.927 -46.477 1.00 1.20 C ATOM 1150 NH1 ARG A 74 -1.405 -5.947 -46.590 1.00 1.67 N ATOM 1151 NH2 ARG A 74 -3.355 -6.988 -45.984 1.00 1.32 N ATOM 0 H ARG A 74 -4.176 -0.084 -47.620 1.00 0.60 H new ATOM 0 HA ARG A 74 -5.927 -0.822 -45.473 1.00 0.59 H new ATOM 0 HB2 ARG A 74 -4.837 -2.948 -45.587 1.00 0.68 H new ATOM 0 HB3 ARG A 74 -5.099 -2.383 -47.225 1.00 0.68 H new ATOM 0 HG2 ARG A 74 -2.667 -1.536 -47.163 1.00 0.74 H new ATOM 0 HG3 ARG A 74 -2.489 -2.470 -45.690 1.00 0.74 H new ATOM 0 HD2 ARG A 74 -3.223 -3.515 -48.448 1.00 0.86 H new ATOM 0 HD3 ARG A 74 -1.742 -3.820 -47.562 1.00 0.86 H new ATOM 0 HE ARG A 74 -4.428 -4.857 -46.703 1.00 0.88 H new ATOM 0 HH11 ARG A 74 -0.913 -5.135 -46.962 1.00 1.67 H new ATOM 0 HH12 ARG A 74 -0.881 -6.774 -46.305 1.00 1.67 H new ATOM 0 HH21 ARG A 74 -4.370 -6.980 -45.888 1.00 1.32 H new ATOM 0 HH22 ARG A 74 -2.823 -7.811 -45.701 1.00 1.32 H new ATOM 1165 N LEU A 75 -2.871 0.130 -44.754 1.00 0.47 N ATOM 1166 CA LEU A 75 -2.021 0.551 -43.641 1.00 0.46 C ATOM 1167 C LEU A 75 -2.699 1.640 -42.826 1.00 0.42 C ATOM 1168 O LEU A 75 -2.795 1.544 -41.601 1.00 0.42 O ATOM 1169 CB LEU A 75 -0.664 1.050 -44.144 1.00 0.51 C ATOM 1170 CG LEU A 75 0.481 0.039 -44.053 1.00 0.79 C ATOM 1171 CD1 LEU A 75 0.182 -1.206 -44.874 1.00 1.48 C ATOM 1172 CD2 LEU A 75 1.782 0.681 -44.508 1.00 1.36 C ATOM 0 H LEU A 75 -2.486 0.326 -45.678 1.00 0.47 H new ATOM 0 HA LEU A 75 -1.859 -0.318 -43.004 1.00 0.46 H new ATOM 0 HB2 LEU A 75 -0.772 1.359 -45.184 1.00 0.51 H new ATOM 0 HB3 LEU A 75 -0.389 1.938 -43.575 1.00 0.51 H new ATOM 0 HG LEU A 75 0.584 -0.267 -43.012 1.00 0.79 H new ATOM 0 HD11 LEU A 75 1.013 -1.906 -44.790 1.00 1.48 H new ATOM 0 HD12 LEU A 75 -0.728 -1.677 -44.502 1.00 1.48 H new ATOM 0 HD13 LEU A 75 0.046 -0.929 -45.919 1.00 1.48 H new ATOM 0 HD21 LEU A 75 2.590 -0.047 -44.439 1.00 1.36 H new ATOM 0 HD22 LEU A 75 1.681 1.015 -45.541 1.00 1.36 H new ATOM 0 HD23 LEU A 75 2.008 1.536 -43.871 1.00 1.36 H new ATOM 1184 N VAL A 76 -3.182 2.668 -43.514 1.00 0.45 N ATOM 1185 CA VAL A 76 -3.854 3.778 -42.854 1.00 0.50 C ATOM 1186 C VAL A 76 -5.065 3.292 -42.066 1.00 0.48 C ATOM 1187 O VAL A 76 -5.224 3.633 -40.904 1.00 0.50 O ATOM 1188 CB VAL A 76 -4.280 4.873 -43.862 1.00 0.61 C ATOM 1189 CG1 VAL A 76 -5.246 5.864 -43.227 1.00 0.73 C ATOM 1190 CG2 VAL A 76 -3.057 5.604 -44.391 1.00 0.82 C ATOM 0 H VAL A 76 -3.120 2.755 -44.528 1.00 0.45 H new ATOM 0 HA VAL A 76 -3.137 4.219 -42.161 1.00 0.50 H new ATOM 0 HB VAL A 76 -4.793 4.385 -44.691 1.00 0.61 H new ATOM 0 HG11 VAL A 76 -5.526 6.620 -43.961 1.00 0.73 H new ATOM 0 HG12 VAL A 76 -6.139 5.337 -42.890 1.00 0.73 H new ATOM 0 HG13 VAL A 76 -4.766 6.345 -42.375 1.00 0.73 H new ATOM 0 HG21 VAL A 76 -3.370 6.372 -45.099 1.00 0.82 H new ATOM 0 HG22 VAL A 76 -2.525 6.070 -43.562 1.00 0.82 H new ATOM 0 HG23 VAL A 76 -2.398 4.895 -44.892 1.00 0.82 H new ATOM 1200 N ASN A 77 -5.894 2.466 -42.684 1.00 0.48 N ATOM 1201 CA ASN A 77 -7.100 1.979 -42.021 1.00 0.53 C ATOM 1202 C ASN A 77 -6.768 1.154 -40.780 1.00 0.49 C ATOM 1203 O ASN A 77 -7.445 1.270 -39.762 1.00 0.54 O ATOM 1204 CB ASN A 77 -7.963 1.166 -42.990 1.00 0.61 C ATOM 1205 CG ASN A 77 -8.902 2.045 -43.795 1.00 0.76 C ATOM 1206 OD1 ASN A 77 -10.054 2.256 -43.414 1.00 1.14 O ATOM 1207 ND2 ASN A 77 -8.418 2.572 -44.910 1.00 0.92 N ATOM 0 H ASN A 77 -5.759 2.120 -43.634 1.00 0.48 H new ATOM 0 HA ASN A 77 -7.668 2.851 -41.697 1.00 0.53 H new ATOM 0 HB2 ASN A 77 -7.318 0.609 -43.669 1.00 0.61 H new ATOM 0 HB3 ASN A 77 -8.544 0.434 -42.430 1.00 0.61 H new ATOM 0 HD21 ASN A 77 -9.005 3.176 -45.485 1.00 0.92 H new ATOM 0 HD22 ASN A 77 -7.458 2.374 -45.193 1.00 0.92 H new ATOM 1214 N THR A 78 -5.710 0.355 -40.854 1.00 0.45 N ATOM 1215 CA THR A 78 -5.330 -0.517 -39.747 1.00 0.50 C ATOM 1216 C THR A 78 -4.990 0.276 -38.480 1.00 0.46 C ATOM 1217 O THR A 78 -5.607 0.081 -37.431 1.00 0.50 O ATOM 1218 CB THR A 78 -4.130 -1.410 -40.129 1.00 0.57 C ATOM 1219 OG1 THR A 78 -4.489 -2.269 -41.221 1.00 0.62 O ATOM 1220 CG2 THR A 78 -3.673 -2.252 -38.946 1.00 0.69 C ATOM 0 H THR A 78 -5.099 0.292 -41.669 1.00 0.45 H new ATOM 0 HA THR A 78 -6.196 -1.145 -39.537 1.00 0.50 H new ATOM 0 HB THR A 78 -3.307 -0.761 -40.427 1.00 0.57 H new ATOM 0 HG1 THR A 78 -4.502 -1.752 -42.053 1.00 0.62 H new ATOM 0 HG21 THR A 78 -2.827 -2.871 -39.245 1.00 0.69 H new ATOM 0 HG22 THR A 78 -3.373 -1.597 -38.128 1.00 0.69 H new ATOM 0 HG23 THR A 78 -4.492 -2.892 -38.617 1.00 0.69 H new ATOM 1228 N ILE A 79 -4.018 1.174 -38.582 1.00 0.44 N ATOM 1229 CA ILE A 79 -3.546 1.916 -37.414 1.00 0.45 C ATOM 1230 C ILE A 79 -4.468 3.094 -37.110 1.00 0.45 C ATOM 1231 O ILE A 79 -4.883 3.311 -35.963 1.00 0.50 O ATOM 1232 CB ILE A 79 -2.095 2.435 -37.603 1.00 0.51 C ATOM 1233 CG1 ILE A 79 -1.091 1.276 -37.709 1.00 0.66 C ATOM 1234 CG2 ILE A 79 -1.701 3.361 -36.460 1.00 0.59 C ATOM 1235 CD1 ILE A 79 -1.065 0.592 -39.059 1.00 0.77 C ATOM 0 H ILE A 79 -3.542 1.407 -39.454 1.00 0.44 H new ATOM 0 HA ILE A 79 -3.555 1.220 -36.575 1.00 0.45 H new ATOM 0 HB ILE A 79 -2.069 2.994 -38.538 1.00 0.51 H new ATOM 0 HG12 ILE A 79 -0.093 1.655 -37.488 1.00 0.66 H new ATOM 0 HG13 ILE A 79 -1.327 0.536 -36.945 1.00 0.66 H new ATOM 0 HG21 ILE A 79 -0.681 3.713 -36.612 1.00 0.59 H new ATOM 0 HG22 ILE A 79 -2.379 4.214 -36.433 1.00 0.59 H new ATOM 0 HG23 ILE A 79 -1.761 2.819 -35.516 1.00 0.59 H new ATOM 0 HD11 ILE A 79 -0.330 -0.212 -39.045 1.00 0.77 H new ATOM 0 HD12 ILE A 79 -2.050 0.179 -39.277 1.00 0.77 H new ATOM 0 HD13 ILE A 79 -0.796 1.316 -39.828 1.00 0.77 H new ATOM 1247 N LEU A 80 -4.819 3.836 -38.149 1.00 0.45 N ATOM 1248 CA LEU A 80 -5.606 5.041 -37.977 1.00 0.52 C ATOM 1249 C LEU A 80 -7.061 4.718 -37.672 1.00 0.56 C ATOM 1250 O LEU A 80 -7.842 5.619 -37.399 1.00 0.63 O ATOM 1251 CB LEU A 80 -5.495 5.977 -39.188 1.00 0.56 C ATOM 1252 CG LEU A 80 -4.180 6.763 -39.306 1.00 0.61 C ATOM 1253 CD1 LEU A 80 -3.015 5.847 -39.651 1.00 0.78 C ATOM 1254 CD2 LEU A 80 -4.314 7.865 -40.343 1.00 0.71 C ATOM 0 H LEU A 80 -4.571 3.624 -39.115 1.00 0.45 H new ATOM 0 HA LEU A 80 -5.192 5.568 -37.118 1.00 0.52 H new ATOM 0 HB2 LEU A 80 -5.625 5.385 -40.094 1.00 0.56 H new ATOM 0 HB3 LEU A 80 -6.320 6.689 -39.150 1.00 0.56 H new ATOM 0 HG LEU A 80 -3.972 7.215 -38.336 1.00 0.61 H new ATOM 0 HD11 LEU A 80 -2.100 6.435 -39.727 1.00 0.78 H new ATOM 0 HD12 LEU A 80 -2.900 5.095 -38.870 1.00 0.78 H new ATOM 0 HD13 LEU A 80 -3.210 5.354 -40.603 1.00 0.78 H new ATOM 0 HD21 LEU A 80 -3.374 8.413 -40.415 1.00 0.71 H new ATOM 0 HD22 LEU A 80 -4.553 7.426 -41.312 1.00 0.71 H new ATOM 0 HD23 LEU A 80 -5.110 8.548 -40.047 1.00 0.71 H new ATOM 1266 N LYS A 81 -7.428 3.436 -37.714 1.00 0.57 N ATOM 1267 CA LYS A 81 -8.730 3.013 -37.210 1.00 0.68 C ATOM 1268 C LYS A 81 -8.953 3.584 -35.814 1.00 0.68 C ATOM 1269 O LYS A 81 -9.846 4.398 -35.602 1.00 0.72 O ATOM 1270 CB LYS A 81 -8.813 1.479 -37.162 1.00 0.77 C ATOM 1271 CG LYS A 81 -10.009 0.943 -36.387 1.00 1.02 C ATOM 1272 CD LYS A 81 -11.326 1.423 -36.972 1.00 0.99 C ATOM 1273 CE LYS A 81 -12.504 0.954 -36.135 1.00 1.56 C ATOM 1274 NZ LYS A 81 -12.567 -0.529 -36.047 1.00 1.93 N ATOM 0 H LYS A 81 -6.849 2.684 -38.087 1.00 0.57 H new ATOM 0 HA LYS A 81 -9.503 3.386 -37.882 1.00 0.68 H new ATOM 0 HB2 LYS A 81 -8.854 1.096 -38.182 1.00 0.77 H new ATOM 0 HB3 LYS A 81 -7.899 1.091 -36.712 1.00 0.77 H new ATOM 0 HG2 LYS A 81 -9.986 -0.147 -36.392 1.00 1.02 H new ATOM 0 HG3 LYS A 81 -9.938 1.259 -35.346 1.00 1.02 H new ATOM 0 HD2 LYS A 81 -11.327 2.512 -37.027 1.00 0.99 H new ATOM 0 HD3 LYS A 81 -11.431 1.052 -37.992 1.00 0.99 H new ATOM 0 HE2 LYS A 81 -12.427 1.374 -35.132 1.00 1.56 H new ATOM 0 HE3 LYS A 81 -13.430 1.332 -36.568 1.00 1.56 H new ATOM 0 HZ1 LYS A 81 -13.484 -0.814 -35.647 1.00 1.93 H new ATOM 0 HZ2 LYS A 81 -12.462 -0.938 -36.997 1.00 1.93 H new ATOM 0 HZ3 LYS A 81 -11.800 -0.873 -35.435 1.00 1.93 H new ATOM 1288 N GLU A 82 -8.120 3.169 -34.876 1.00 0.69 N ATOM 1289 CA GLU A 82 -8.212 3.644 -33.506 1.00 0.73 C ATOM 1290 C GLU A 82 -7.671 5.068 -33.401 1.00 0.67 C ATOM 1291 O GLU A 82 -8.109 5.857 -32.568 1.00 0.68 O ATOM 1292 CB GLU A 82 -7.430 2.709 -32.580 1.00 0.90 C ATOM 1293 CG GLU A 82 -7.768 2.874 -31.110 1.00 1.53 C ATOM 1294 CD GLU A 82 -9.194 2.473 -30.796 1.00 2.23 C ATOM 1295 OE1 GLU A 82 -9.502 1.263 -30.865 1.00 2.75 O ATOM 1296 OE2 GLU A 82 -10.009 3.360 -30.466 1.00 2.91 O ATOM 0 H GLU A 82 -7.368 2.500 -35.039 1.00 0.69 H new ATOM 0 HA GLU A 82 -9.259 3.650 -33.202 1.00 0.73 H new ATOM 0 HB2 GLU A 82 -7.624 1.677 -32.874 1.00 0.90 H new ATOM 0 HB3 GLU A 82 -6.363 2.885 -32.719 1.00 0.90 H new ATOM 0 HG2 GLU A 82 -7.084 2.271 -30.513 1.00 1.53 H new ATOM 0 HG3 GLU A 82 -7.613 3.913 -30.819 1.00 1.53 H new ATOM 1303 N GLU A 83 -6.713 5.381 -34.263 1.00 0.64 N ATOM 1304 CA GLU A 83 -6.082 6.696 -34.278 1.00 0.64 C ATOM 1305 C GLU A 83 -7.101 7.817 -34.462 1.00 0.55 C ATOM 1306 O GLU A 83 -7.195 8.737 -33.642 1.00 0.58 O ATOM 1307 CB GLU A 83 -5.096 6.745 -35.427 1.00 0.70 C ATOM 1308 CG GLU A 83 -4.198 7.944 -35.389 1.00 0.64 C ATOM 1309 CD GLU A 83 -3.175 7.819 -34.289 1.00 1.03 C ATOM 1310 OE1 GLU A 83 -3.484 8.195 -33.142 1.00 1.46 O ATOM 1311 OE2 GLU A 83 -2.069 7.308 -34.549 1.00 1.66 O ATOM 0 H GLU A 83 -6.353 4.737 -34.967 1.00 0.64 H new ATOM 0 HA GLU A 83 -5.586 6.845 -33.319 1.00 0.64 H new ATOM 0 HB2 GLU A 83 -4.485 5.842 -35.411 1.00 0.70 H new ATOM 0 HB3 GLU A 83 -5.646 6.741 -36.368 1.00 0.70 H new ATOM 0 HG2 GLU A 83 -3.693 8.055 -36.349 1.00 0.64 H new ATOM 0 HG3 GLU A 83 -4.794 8.844 -35.236 1.00 0.64 H new ATOM 1318 N LEU A 84 -7.870 7.710 -35.539 1.00 0.49 N ATOM 1319 CA LEU A 84 -8.885 8.702 -35.911 1.00 0.48 C ATOM 1320 C LEU A 84 -9.816 9.048 -34.758 1.00 0.52 C ATOM 1321 O LEU A 84 -10.327 10.161 -34.697 1.00 0.58 O ATOM 1322 CB LEU A 84 -9.726 8.223 -37.097 1.00 0.50 C ATOM 1323 CG LEU A 84 -8.970 8.047 -38.416 1.00 0.47 C ATOM 1324 CD1 LEU A 84 -9.923 7.628 -39.524 1.00 0.56 C ATOM 1325 CD2 LEU A 84 -8.234 9.323 -38.796 1.00 0.51 C ATOM 0 H LEU A 84 -7.810 6.926 -36.189 1.00 0.49 H new ATOM 0 HA LEU A 84 -8.332 9.599 -36.189 1.00 0.48 H new ATOM 0 HB2 LEU A 84 -10.185 7.271 -36.832 1.00 0.50 H new ATOM 0 HB3 LEU A 84 -10.536 8.935 -37.256 1.00 0.50 H new ATOM 0 HG LEU A 84 -8.230 7.259 -38.280 1.00 0.47 H new ATOM 0 HD11 LEU A 84 -9.368 7.507 -40.455 1.00 0.56 H new ATOM 0 HD12 LEU A 84 -10.396 6.683 -39.259 1.00 0.56 H new ATOM 0 HD13 LEU A 84 -10.688 8.393 -39.654 1.00 0.56 H new ATOM 0 HD21 LEU A 84 -7.705 9.171 -39.737 1.00 0.51 H new ATOM 0 HD22 LEU A 84 -8.951 10.136 -38.910 1.00 0.51 H new ATOM 0 HD23 LEU A 84 -7.518 9.577 -38.014 1.00 0.51 H new ATOM 1337 N GLN A 85 -10.060 8.093 -33.864 1.00 0.57 N ATOM 1338 CA GLN A 85 -10.992 8.299 -32.756 1.00 0.67 C ATOM 1339 C GLN A 85 -10.645 9.567 -31.970 1.00 0.70 C ATOM 1340 O GLN A 85 -11.526 10.243 -31.437 1.00 0.81 O ATOM 1341 CB GLN A 85 -10.990 7.104 -31.794 1.00 0.75 C ATOM 1342 CG GLN A 85 -11.170 5.741 -32.454 1.00 0.80 C ATOM 1343 CD GLN A 85 -12.277 5.708 -33.484 1.00 0.76 C ATOM 1344 OE1 GLN A 85 -13.442 5.495 -33.161 1.00 0.92 O ATOM 1345 NE2 GLN A 85 -11.907 5.867 -34.740 1.00 0.72 N ATOM 0 H GLN A 85 -9.627 7.170 -33.884 1.00 0.57 H new ATOM 0 HA GLN A 85 -11.984 8.404 -33.195 1.00 0.67 H new ATOM 0 HB2 GLN A 85 -10.049 7.102 -31.244 1.00 0.75 H new ATOM 0 HB3 GLN A 85 -11.787 7.244 -31.063 1.00 0.75 H new ATOM 0 HG2 GLN A 85 -10.233 5.451 -32.930 1.00 0.80 H new ATOM 0 HG3 GLN A 85 -11.380 4.999 -31.684 1.00 0.80 H new ATOM 0 HE21 GLN A 85 -10.928 6.042 -34.965 1.00 0.72 H new ATOM 0 HE22 GLN A 85 -12.600 5.815 -35.486 1.00 0.72 H new ATOM 1354 N ASN A 86 -9.360 9.900 -31.932 1.00 0.64 N ATOM 1355 CA ASN A 86 -8.879 11.034 -31.149 1.00 0.71 C ATOM 1356 C ASN A 86 -8.730 12.286 -32.014 1.00 0.67 C ATOM 1357 O ASN A 86 -8.254 13.324 -31.548 1.00 0.77 O ATOM 1358 CB ASN A 86 -7.537 10.686 -30.492 1.00 0.75 C ATOM 1359 CG ASN A 86 -7.648 9.507 -29.538 1.00 0.85 C ATOM 1360 OD1 ASN A 86 -7.910 9.681 -28.347 1.00 1.02 O ATOM 1361 ND2 ASN A 86 -7.440 8.301 -30.050 1.00 0.87 N ATOM 0 H ASN A 86 -8.629 9.399 -32.437 1.00 0.64 H new ATOM 0 HA ASN A 86 -9.617 11.246 -30.375 1.00 0.71 H new ATOM 0 HB2 ASN A 86 -6.805 10.456 -31.266 1.00 0.75 H new ATOM 0 HB3 ASN A 86 -7.165 11.555 -29.950 1.00 0.75 H new ATOM 0 HD21 ASN A 86 -7.495 7.477 -29.452 1.00 0.87 H new ATOM 0 HD22 ASN A 86 -7.225 8.198 -31.042 1.00 0.87 H new ATOM 1368 N ILE A 87 -9.151 12.192 -33.271 1.00 0.61 N ATOM 1369 CA ILE A 87 -9.042 13.307 -34.205 1.00 0.62 C ATOM 1370 C ILE A 87 -10.414 13.664 -34.764 1.00 0.67 C ATOM 1371 O ILE A 87 -11.192 12.782 -35.124 1.00 0.77 O ATOM 1372 CB ILE A 87 -8.110 12.971 -35.389 1.00 0.58 C ATOM 1373 CG1 ILE A 87 -6.868 12.225 -34.906 1.00 0.55 C ATOM 1374 CG2 ILE A 87 -7.710 14.244 -36.121 1.00 0.68 C ATOM 1375 CD1 ILE A 87 -5.927 11.829 -36.021 1.00 0.59 C ATOM 0 H ILE A 87 -9.572 11.352 -33.667 1.00 0.61 H new ATOM 0 HA ILE A 87 -8.625 14.147 -33.650 1.00 0.62 H new ATOM 0 HB ILE A 87 -8.651 12.323 -36.079 1.00 0.58 H new ATOM 0 HG12 ILE A 87 -6.331 12.853 -34.195 1.00 0.55 H new ATOM 0 HG13 ILE A 87 -7.179 11.329 -34.369 1.00 0.55 H new ATOM 0 HG21 ILE A 87 -7.053 13.994 -36.954 1.00 0.68 H new ATOM 0 HG22 ILE A 87 -8.603 14.742 -36.500 1.00 0.68 H new ATOM 0 HG23 ILE A 87 -7.188 14.910 -35.434 1.00 0.68 H new ATOM 0 HD11 ILE A 87 -5.068 11.304 -35.603 1.00 0.59 H new ATOM 0 HD12 ILE A 87 -6.447 11.175 -36.721 1.00 0.59 H new ATOM 0 HD13 ILE A 87 -5.586 12.723 -36.544 1.00 0.59 H new ATOM 1387 N HIS A 88 -10.707 14.950 -34.841 1.00 0.71 N ATOM 1388 CA HIS A 88 -11.983 15.408 -35.380 1.00 0.80 C ATOM 1389 C HIS A 88 -12.008 15.235 -36.894 1.00 0.76 C ATOM 1390 O HIS A 88 -13.030 14.864 -37.472 1.00 0.89 O ATOM 1391 CB HIS A 88 -12.226 16.874 -35.011 1.00 0.95 C ATOM 1392 CG HIS A 88 -13.614 17.359 -35.308 1.00 1.08 C ATOM 1393 ND1 HIS A 88 -14.700 17.043 -34.525 1.00 1.37 N ATOM 1394 CD2 HIS A 88 -14.088 18.151 -36.300 1.00 1.48 C ATOM 1395 CE1 HIS A 88 -15.779 17.620 -35.016 1.00 1.75 C ATOM 1396 NE2 HIS A 88 -15.437 18.298 -36.093 1.00 1.85 N ATOM 0 H HIS A 88 -10.082 15.698 -34.539 1.00 0.71 H new ATOM 0 HA HIS A 88 -12.779 14.805 -34.944 1.00 0.80 H new ATOM 0 HB2 HIS A 88 -12.026 17.008 -33.948 1.00 0.95 H new ATOM 0 HB3 HIS A 88 -11.512 17.496 -35.551 1.00 0.95 H new ATOM 0 HD2 HIS A 88 -13.512 18.586 -37.104 1.00 1.48 H new ATOM 0 HE1 HIS A 88 -16.775 17.549 -34.605 1.00 1.75 H new ATOM 0 HE2 HIS A 88 -16.071 18.843 -36.677 1.00 1.85 H new ATOM 1405 N ALA A 89 -10.875 15.504 -37.526 1.00 0.69 N ATOM 1406 CA ALA A 89 -10.741 15.363 -38.969 1.00 0.68 C ATOM 1407 C ALA A 89 -9.272 15.309 -39.363 1.00 0.62 C ATOM 1408 O ALA A 89 -8.587 16.332 -39.379 1.00 0.73 O ATOM 1409 CB ALA A 89 -11.436 16.511 -39.688 1.00 0.78 C ATOM 0 H ALA A 89 -10.028 15.824 -37.057 1.00 0.69 H new ATOM 0 HA ALA A 89 -11.218 14.429 -39.267 1.00 0.68 H new ATOM 0 HB1 ALA A 89 -11.324 16.387 -40.765 1.00 0.78 H new ATOM 0 HB2 ALA A 89 -12.495 16.513 -39.431 1.00 0.78 H new ATOM 0 HB3 ALA A 89 -10.987 17.456 -39.383 1.00 0.78 H new ATOM 1415 N PHE A 90 -8.782 14.114 -39.640 1.00 0.52 N ATOM 1416 CA PHE A 90 -7.405 13.945 -40.072 1.00 0.47 C ATOM 1417 C PHE A 90 -7.330 13.917 -41.595 1.00 0.48 C ATOM 1418 O PHE A 90 -8.198 13.353 -42.256 1.00 0.63 O ATOM 1419 CB PHE A 90 -6.826 12.656 -39.488 1.00 0.50 C ATOM 1420 CG PHE A 90 -5.368 12.457 -39.784 1.00 0.48 C ATOM 1421 CD1 PHE A 90 -4.403 13.150 -39.072 1.00 0.48 C ATOM 1422 CD2 PHE A 90 -4.962 11.574 -40.770 1.00 0.51 C ATOM 1423 CE1 PHE A 90 -3.061 12.966 -39.339 1.00 0.49 C ATOM 1424 CE2 PHE A 90 -3.622 11.386 -41.043 1.00 0.51 C ATOM 1425 CZ PHE A 90 -2.671 12.083 -40.327 1.00 0.49 C ATOM 0 H PHE A 90 -9.315 13.247 -39.574 1.00 0.52 H new ATOM 0 HA PHE A 90 -6.817 14.788 -39.711 1.00 0.47 H new ATOM 0 HB2 PHE A 90 -6.970 12.661 -38.408 1.00 0.50 H new ATOM 0 HB3 PHE A 90 -7.386 11.807 -39.880 1.00 0.50 H new ATOM 0 HD1 PHE A 90 -4.704 13.842 -38.299 1.00 0.48 H new ATOM 0 HD2 PHE A 90 -5.703 11.025 -41.333 1.00 0.51 H new ATOM 0 HE1 PHE A 90 -2.318 13.511 -38.776 1.00 0.49 H new ATOM 0 HE2 PHE A 90 -3.319 10.695 -41.815 1.00 0.51 H new ATOM 0 HZ PHE A 90 -1.622 11.938 -40.539 1.00 0.49 H new ATOM 1435 N SER A 91 -6.309 14.552 -42.143 1.00 0.44 N ATOM 1436 CA SER A 91 -6.078 14.539 -43.579 1.00 0.48 C ATOM 1437 C SER A 91 -4.638 14.131 -43.854 1.00 0.45 C ATOM 1438 O SER A 91 -3.734 14.540 -43.132 1.00 0.52 O ATOM 1439 CB SER A 91 -6.351 15.921 -44.168 1.00 0.56 C ATOM 1440 OG SER A 91 -7.597 16.432 -43.715 1.00 1.27 O ATOM 0 H SER A 91 -5.622 15.087 -41.612 1.00 0.44 H new ATOM 0 HA SER A 91 -6.753 13.822 -44.046 1.00 0.48 H new ATOM 0 HB2 SER A 91 -5.550 16.605 -43.887 1.00 0.56 H new ATOM 0 HB3 SER A 91 -6.352 15.862 -45.256 1.00 0.56 H new ATOM 0 HG SER A 91 -8.127 16.731 -44.483 1.00 1.27 H new ATOM 1446 N MET A 92 -4.426 13.321 -44.881 1.00 0.48 N ATOM 1447 CA MET A 92 -3.082 12.872 -45.212 1.00 0.48 C ATOM 1448 C MET A 92 -2.784 13.091 -46.691 1.00 0.53 C ATOM 1449 O MET A 92 -3.604 12.782 -47.560 1.00 0.62 O ATOM 1450 CB MET A 92 -2.888 11.389 -44.842 1.00 0.52 C ATOM 1451 CG MET A 92 -3.618 10.399 -45.749 1.00 0.61 C ATOM 1452 SD MET A 92 -5.417 10.465 -45.598 1.00 0.64 S ATOM 1453 CE MET A 92 -5.646 9.883 -43.917 1.00 0.64 C ATOM 0 H MET A 92 -5.159 12.964 -45.494 1.00 0.48 H new ATOM 0 HA MET A 92 -2.381 13.466 -44.627 1.00 0.48 H new ATOM 0 HB2 MET A 92 -1.822 11.161 -44.863 1.00 0.52 H new ATOM 0 HB3 MET A 92 -3.226 11.238 -43.817 1.00 0.52 H new ATOM 0 HG2 MET A 92 -3.342 10.597 -46.785 1.00 0.61 H new ATOM 0 HG3 MET A 92 -3.280 9.389 -45.516 1.00 0.61 H new ATOM 0 HE1 MET A 92 -6.342 9.044 -43.914 1.00 0.64 H new ATOM 0 HE2 MET A 92 -4.688 9.561 -43.510 1.00 0.64 H new ATOM 0 HE3 MET A 92 -6.048 10.690 -43.304 1.00 0.64 H new ATOM 1463 N LYS A 93 -1.618 13.649 -46.971 1.00 0.52 N ATOM 1464 CA LYS A 93 -1.165 13.813 -48.341 1.00 0.59 C ATOM 1465 C LYS A 93 0.196 13.154 -48.520 1.00 0.49 C ATOM 1466 O LYS A 93 1.185 13.561 -47.910 1.00 0.42 O ATOM 1467 CB LYS A 93 -1.106 15.295 -48.729 1.00 0.70 C ATOM 1468 CG LYS A 93 -0.641 15.523 -50.159 1.00 1.14 C ATOM 1469 CD LYS A 93 -1.454 14.699 -51.146 1.00 1.44 C ATOM 1470 CE LYS A 93 -0.833 14.715 -52.531 1.00 1.93 C ATOM 1471 NZ LYS A 93 -1.499 13.753 -53.447 1.00 2.23 N ATOM 0 H LYS A 93 -0.968 13.996 -46.266 1.00 0.52 H new ATOM 0 HA LYS A 93 -1.882 13.327 -49.003 1.00 0.59 H new ATOM 0 HB2 LYS A 93 -2.094 15.737 -48.600 1.00 0.70 H new ATOM 0 HB3 LYS A 93 -0.433 15.816 -48.048 1.00 0.70 H new ATOM 0 HG2 LYS A 93 -0.728 16.581 -50.407 1.00 1.14 H new ATOM 0 HG3 LYS A 93 0.414 15.261 -50.246 1.00 1.14 H new ATOM 0 HD2 LYS A 93 -1.526 13.671 -50.791 1.00 1.44 H new ATOM 0 HD3 LYS A 93 -2.470 15.090 -51.198 1.00 1.44 H new ATOM 0 HE2 LYS A 93 -0.901 15.720 -52.948 1.00 1.93 H new ATOM 0 HE3 LYS A 93 0.227 14.472 -52.457 1.00 1.93 H new ATOM 0 HZ1 LYS A 93 -1.046 13.794 -54.382 1.00 2.23 H new ATOM 0 HZ2 LYS A 93 -1.413 12.791 -53.062 1.00 2.23 H new ATOM 0 HZ3 LYS A 93 -2.505 14.000 -53.538 1.00 2.23 H new ATOM 1485 N CYS A 94 0.237 12.135 -49.364 1.00 0.56 N ATOM 1486 CA CYS A 94 1.436 11.333 -49.535 1.00 0.54 C ATOM 1487 C CYS A 94 2.347 11.902 -50.618 1.00 0.52 C ATOM 1488 O CYS A 94 1.894 12.300 -51.693 1.00 0.64 O ATOM 1489 CB CYS A 94 1.051 9.891 -49.865 1.00 0.73 C ATOM 1490 SG CYS A 94 -0.001 9.115 -48.613 1.00 1.38 S ATOM 0 H CYS A 94 -0.550 11.844 -49.943 1.00 0.56 H new ATOM 0 HA CYS A 94 1.993 11.354 -48.598 1.00 0.54 H new ATOM 0 HB2 CYS A 94 0.533 9.873 -50.824 1.00 0.73 H new ATOM 0 HB3 CYS A 94 1.959 9.299 -49.982 1.00 0.73 H new ATOM 0 HG CYS A 94 0.367 7.880 -48.442 1.00 1.38 H new ATOM 1496 N HIS A 95 3.630 11.965 -50.299 1.00 0.44 N ATOM 1497 CA HIS A 95 4.662 12.381 -51.236 1.00 0.50 C ATOM 1498 C HIS A 95 5.864 11.458 -51.106 1.00 0.44 C ATOM 1499 O HIS A 95 6.091 10.866 -50.050 1.00 0.44 O ATOM 1500 CB HIS A 95 5.116 13.826 -50.972 1.00 0.62 C ATOM 1501 CG HIS A 95 4.095 14.875 -51.290 1.00 0.95 C ATOM 1502 ND1 HIS A 95 4.166 15.685 -52.405 1.00 1.36 N ATOM 1503 CD2 HIS A 95 2.991 15.269 -50.614 1.00 1.84 C ATOM 1504 CE1 HIS A 95 3.152 16.528 -52.400 1.00 1.65 C ATOM 1505 NE2 HIS A 95 2.421 16.298 -51.324 1.00 1.98 N ATOM 0 H HIS A 95 3.988 11.727 -49.374 1.00 0.44 H new ATOM 0 HA HIS A 95 4.243 12.329 -52.241 1.00 0.50 H new ATOM 0 HB2 HIS A 95 5.395 13.918 -49.922 1.00 0.62 H new ATOM 0 HB3 HIS A 95 6.013 14.023 -51.559 1.00 0.62 H new ATOM 0 HD1 HIS A 95 4.890 15.639 -53.122 1.00 1.36 H new ATOM 0 HD2 HIS A 95 2.625 14.852 -49.687 1.00 1.84 H new ATOM 0 HE1 HIS A 95 2.953 17.280 -53.149 1.00 1.65 H new ATOM 1514 N THR A 96 6.619 11.332 -52.174 1.00 0.46 N ATOM 1515 CA THR A 96 7.853 10.577 -52.146 1.00 0.49 C ATOM 1516 C THR A 96 9.031 11.504 -51.855 1.00 0.46 C ATOM 1517 O THR A 96 8.980 12.687 -52.189 1.00 0.47 O ATOM 1518 CB THR A 96 8.057 9.860 -53.486 1.00 0.58 C ATOM 1519 OG1 THR A 96 7.358 10.574 -54.520 1.00 0.76 O ATOM 1520 CG2 THR A 96 7.549 8.431 -53.407 1.00 0.65 C ATOM 0 H THR A 96 6.398 11.746 -53.080 1.00 0.46 H new ATOM 0 HA THR A 96 7.795 9.831 -51.353 1.00 0.49 H new ATOM 0 HB THR A 96 9.122 9.834 -53.717 1.00 0.58 H new ATOM 0 HG1 THR A 96 8.001 10.903 -55.182 1.00 0.76 H new ATOM 0 HG21 THR A 96 7.702 7.937 -54.367 1.00 0.65 H new ATOM 0 HG22 THR A 96 8.094 7.893 -52.631 1.00 0.65 H new ATOM 0 HG23 THR A 96 6.486 8.436 -53.166 1.00 0.65 H new ATOM 1528 N PRO A 97 10.099 10.992 -51.216 1.00 0.47 N ATOM 1529 CA PRO A 97 11.281 11.798 -50.871 1.00 0.48 C ATOM 1530 C PRO A 97 11.904 12.452 -52.095 1.00 0.52 C ATOM 1531 O PRO A 97 12.455 13.551 -52.018 1.00 0.54 O ATOM 1532 CB PRO A 97 12.244 10.782 -50.253 1.00 0.53 C ATOM 1533 CG PRO A 97 11.368 9.676 -49.779 1.00 0.72 C ATOM 1534 CD PRO A 97 10.241 9.597 -50.768 1.00 0.51 C ATOM 0 HA PRO A 97 11.033 12.622 -50.202 1.00 0.48 H new ATOM 0 HB2 PRO A 97 12.970 10.427 -50.985 1.00 0.53 H new ATOM 0 HB3 PRO A 97 12.809 11.221 -49.431 1.00 0.53 H new ATOM 0 HG2 PRO A 97 11.916 8.735 -49.734 1.00 0.72 H new ATOM 0 HG3 PRO A 97 10.994 9.876 -48.775 1.00 0.72 H new ATOM 0 HD2 PRO A 97 10.476 8.929 -51.596 1.00 0.51 H new ATOM 0 HD3 PRO A 97 9.325 9.225 -50.308 1.00 0.51 H new ATOM 1542 N LEU A 98 11.795 11.769 -53.225 1.00 0.60 N ATOM 1543 CA LEU A 98 12.269 12.303 -54.492 1.00 0.71 C ATOM 1544 C LEU A 98 11.416 13.496 -54.914 1.00 0.66 C ATOM 1545 O LEU A 98 11.938 14.567 -55.207 1.00 0.71 O ATOM 1546 CB LEU A 98 12.246 11.228 -55.591 1.00 0.88 C ATOM 1547 CG LEU A 98 13.256 10.078 -55.440 1.00 1.34 C ATOM 1548 CD1 LEU A 98 14.653 10.620 -55.183 1.00 2.08 C ATOM 1549 CD2 LEU A 98 12.837 9.117 -54.335 1.00 1.78 C ATOM 0 H LEU A 98 11.380 10.839 -53.290 1.00 0.60 H new ATOM 0 HA LEU A 98 13.300 12.629 -54.354 1.00 0.71 H new ATOM 0 HB2 LEU A 98 11.244 10.801 -55.631 1.00 0.88 H new ATOM 0 HB3 LEU A 98 12.423 11.715 -56.550 1.00 0.88 H new ATOM 0 HG LEU A 98 13.271 9.521 -56.377 1.00 1.34 H new ATOM 0 HD11 LEU A 98 15.352 9.790 -55.079 1.00 2.08 H new ATOM 0 HD12 LEU A 98 14.959 11.249 -56.019 1.00 2.08 H new ATOM 0 HD13 LEU A 98 14.652 11.210 -54.266 1.00 2.08 H new ATOM 0 HD21 LEU A 98 13.571 8.315 -54.253 1.00 1.78 H new ATOM 0 HD22 LEU A 98 12.779 9.654 -53.388 1.00 1.78 H new ATOM 0 HD23 LEU A 98 11.861 8.693 -54.572 1.00 1.78 H new ATOM 1561 N GLU A 99 10.102 13.316 -54.910 1.00 0.65 N ATOM 1562 CA GLU A 99 9.180 14.370 -55.330 1.00 0.72 C ATOM 1563 C GLU A 99 9.186 15.542 -54.357 1.00 0.64 C ATOM 1564 O GLU A 99 8.891 16.675 -54.740 1.00 0.71 O ATOM 1565 CB GLU A 99 7.764 13.818 -55.499 1.00 0.88 C ATOM 1566 CG GLU A 99 7.508 13.205 -56.868 1.00 1.19 C ATOM 1567 CD GLU A 99 8.556 12.182 -57.256 1.00 1.91 C ATOM 1568 OE1 GLU A 99 8.396 11.001 -56.881 1.00 2.44 O ATOM 1569 OE2 GLU A 99 9.545 12.565 -57.916 1.00 2.69 O ATOM 0 H GLU A 99 9.647 12.450 -54.621 1.00 0.65 H new ATOM 0 HA GLU A 99 9.525 14.740 -56.295 1.00 0.72 H new ATOM 0 HB2 GLU A 99 7.583 13.064 -54.733 1.00 0.88 H new ATOM 0 HB3 GLU A 99 7.047 14.622 -55.330 1.00 0.88 H new ATOM 0 HG2 GLU A 99 6.526 12.732 -56.872 1.00 1.19 H new ATOM 0 HG3 GLU A 99 7.484 13.996 -57.617 1.00 1.19 H new ATOM 1576 N TYR A 100 9.505 15.277 -53.097 1.00 0.57 N ATOM 1577 CA TYR A 100 9.671 16.347 -52.126 1.00 0.63 C ATOM 1578 C TYR A 100 10.981 17.080 -52.386 1.00 0.66 C ATOM 1579 O TYR A 100 11.087 18.288 -52.167 1.00 0.76 O ATOM 1580 CB TYR A 100 9.643 15.812 -50.692 1.00 0.67 C ATOM 1581 CG TYR A 100 9.895 16.889 -49.661 1.00 0.85 C ATOM 1582 CD1 TYR A 100 8.912 17.818 -49.351 1.00 0.98 C ATOM 1583 CD2 TYR A 100 11.123 16.991 -49.017 1.00 0.96 C ATOM 1584 CE1 TYR A 100 9.143 18.820 -48.430 1.00 1.17 C ATOM 1585 CE2 TYR A 100 11.360 17.988 -48.091 1.00 1.15 C ATOM 1586 CZ TYR A 100 10.367 18.900 -47.803 1.00 1.24 C ATOM 1587 OH TYR A 100 10.600 19.900 -46.888 1.00 1.46 O ATOM 0 H TYR A 100 9.653 14.338 -52.727 1.00 0.57 H new ATOM 0 HA TYR A 100 8.837 17.040 -52.239 1.00 0.63 H new ATOM 0 HB2 TYR A 100 8.674 15.351 -50.500 1.00 0.67 H new ATOM 0 HB3 TYR A 100 10.395 15.030 -50.586 1.00 0.67 H new ATOM 0 HD1 TYR A 100 7.950 17.756 -49.838 1.00 0.98 H new ATOM 0 HD2 TYR A 100 11.903 16.280 -49.244 1.00 0.96 H new ATOM 0 HE1 TYR A 100 8.368 19.537 -48.202 1.00 1.17 H new ATOM 0 HE2 TYR A 100 12.317 18.053 -47.596 1.00 1.15 H new ATOM 0 HH TYR A 100 10.178 19.667 -46.035 1.00 1.46 H new ATOM 1597 N ASP A 101 11.974 16.338 -52.864 1.00 0.66 N ATOM 1598 CA ASP A 101 13.268 16.912 -53.201 1.00 0.78 C ATOM 1599 C ASP A 101 13.096 17.984 -54.266 1.00 0.81 C ATOM 1600 O ASP A 101 13.677 19.061 -54.172 1.00 0.93 O ATOM 1601 CB ASP A 101 14.226 15.827 -53.700 1.00 0.88 C ATOM 1602 CG ASP A 101 15.652 16.318 -53.833 1.00 1.07 C ATOM 1603 OD1 ASP A 101 15.967 17.005 -54.824 1.00 1.14 O ATOM 1604 OD2 ASP A 101 16.472 16.011 -52.944 1.00 1.23 O ATOM 0 H ASP A 101 11.905 15.333 -53.027 1.00 0.66 H new ATOM 0 HA ASP A 101 13.693 17.362 -52.304 1.00 0.78 H new ATOM 0 HB2 ASP A 101 14.200 14.982 -53.012 1.00 0.88 H new ATOM 0 HB3 ASP A 101 13.881 15.461 -54.667 1.00 0.88 H new ATOM 1609 N LYS A 102 12.259 17.689 -55.258 1.00 0.75 N ATOM 1610 CA LYS A 102 11.947 18.644 -56.318 1.00 0.84 C ATOM 1611 C LYS A 102 11.392 19.945 -55.737 1.00 0.89 C ATOM 1612 O LYS A 102 11.621 21.023 -56.281 1.00 1.05 O ATOM 1613 CB LYS A 102 10.929 18.046 -57.299 1.00 0.88 C ATOM 1614 CG LYS A 102 11.523 17.593 -58.630 1.00 1.03 C ATOM 1615 CD LYS A 102 12.458 16.400 -58.479 1.00 1.09 C ATOM 1616 CE LYS A 102 11.721 15.144 -58.032 1.00 1.86 C ATOM 1617 NZ LYS A 102 10.715 14.676 -59.022 1.00 2.66 N ATOM 0 H LYS A 102 11.783 16.792 -55.350 1.00 0.75 H new ATOM 0 HA LYS A 102 12.873 18.864 -56.850 1.00 0.84 H new ATOM 0 HB2 LYS A 102 10.443 17.194 -56.824 1.00 0.88 H new ATOM 0 HB3 LYS A 102 10.154 18.787 -57.495 1.00 0.88 H new ATOM 0 HG2 LYS A 102 10.715 17.332 -59.314 1.00 1.03 H new ATOM 0 HG3 LYS A 102 12.068 18.422 -59.081 1.00 1.03 H new ATOM 0 HD2 LYS A 102 12.956 16.208 -59.430 1.00 1.09 H new ATOM 0 HD3 LYS A 102 13.236 16.640 -57.754 1.00 1.09 H new ATOM 0 HE2 LYS A 102 12.445 14.349 -57.854 1.00 1.86 H new ATOM 0 HE3 LYS A 102 11.224 15.340 -57.082 1.00 1.86 H new ATOM 0 HZ1 LYS A 102 10.419 13.708 -58.785 1.00 2.66 H new ATOM 0 HZ2 LYS A 102 9.888 15.306 -59.001 1.00 2.66 H new ATOM 0 HZ3 LYS A 102 11.134 14.687 -59.974 1.00 2.66 H new ATOM 1631 N LEU A 103 10.674 19.830 -54.625 1.00 0.83 N ATOM 1632 CA LEU A 103 10.016 20.974 -54.004 1.00 0.97 C ATOM 1633 C LEU A 103 10.989 21.825 -53.193 1.00 1.12 C ATOM 1634 O LEU A 103 10.901 23.054 -53.198 1.00 1.31 O ATOM 1635 CB LEU A 103 8.874 20.505 -53.099 1.00 0.98 C ATOM 1636 CG LEU A 103 7.819 19.627 -53.774 1.00 0.91 C ATOM 1637 CD1 LEU A 103 6.729 19.251 -52.785 1.00 1.01 C ATOM 1638 CD2 LEU A 103 7.226 20.330 -54.985 1.00 1.00 C ATOM 0 H LEU A 103 10.532 18.948 -54.132 1.00 0.83 H new ATOM 0 HA LEU A 103 9.619 21.591 -54.810 1.00 0.97 H new ATOM 0 HB2 LEU A 103 9.300 19.952 -52.262 1.00 0.98 H new ATOM 0 HB3 LEU A 103 8.379 21.383 -52.683 1.00 0.98 H new ATOM 0 HG LEU A 103 8.303 18.713 -54.117 1.00 0.91 H new ATOM 0 HD11 LEU A 103 5.987 18.626 -53.282 1.00 1.01 H new ATOM 0 HD12 LEU A 103 7.167 18.701 -51.952 1.00 1.01 H new ATOM 0 HD13 LEU A 103 6.250 20.156 -52.410 1.00 1.01 H new ATOM 0 HD21 LEU A 103 6.478 19.687 -55.449 1.00 1.00 H new ATOM 0 HD22 LEU A 103 6.758 21.263 -54.671 1.00 1.00 H new ATOM 0 HD23 LEU A 103 8.016 20.545 -55.704 1.00 1.00 H new