USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 986 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 Single : A 45 LYS NZ :NH3+ -141:sc= 1.54 (180deg=0.952) USER MOD Single : A 48 MET CE :methyl -153:sc= -5.05! (180deg=-6.22!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot -42:sc= 0.841 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 136:sc= -1.14 (180deg=-3.05) USER MOD Single : A 75 SER OG : rot 180:sc= -1.83 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= 2.14 K(o=2.1,f=-4.3!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 MET CE :methyl -108:sc= -0.913 (180deg=-4.49!) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 ASN :FLIP amide:sc= -1.48 F(o=-2.5,f=-1.5) USER MOD Single : B 45 LYS NZ :NH3+ -140:sc= 1.53 (180deg=1) USER MOD Single : B 48 MET CE :methyl -153:sc= -5.16! (180deg=-6.3!) USER MOD Single : B 58 THR OG1 : rot 180:sc= 0 USER MOD Single : B 62 THR OG1 : rot 180:sc= 0 USER MOD Single : B 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 71 THR OG1 : rot -48:sc= 0.82 USER MOD Single : B 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 74 LYS NZ :NH3+ 141:sc= -1.19 (180deg=-3.29) USER MOD Single : B 75 SER OG : rot -150:sc= -1.74 USER MOD Single : B 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 79 ASN : amide:sc= 2.15 K(o=2.2,f=-4.3!) USER MOD Single : B 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 91 MET CE :methyl -110:sc= -0.887 (180deg=-4.46!) USER MOD Single : B 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 96 ASN :FLIP amide:sc= -1.46 F(o=-2.6,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 357 N PRO A 43 -2.263 -18.078 -7.883 1.00 0.39 N ATOM 358 CA PRO A 43 -1.848 -17.407 -6.638 1.00 0.37 C ATOM 359 C PRO A 43 -2.595 -16.082 -6.450 1.00 0.32 C ATOM 360 O PRO A 43 -3.170 -15.828 -5.409 1.00 0.35 O ATOM 361 CB PRO A 43 -0.362 -17.162 -6.863 1.00 0.40 C ATOM 362 CG PRO A 43 -0.172 -17.116 -8.353 1.00 0.42 C ATOM 363 CD PRO A 43 -1.418 -17.672 -9.009 1.00 0.43 C ATOM 0 HA PRO A 43 -2.061 -17.993 -5.744 1.00 0.37 H new ATOM 0 HB2 PRO A 43 -0.046 -16.227 -6.400 1.00 0.40 H new ATOM 0 HB3 PRO A 43 0.237 -17.957 -6.417 1.00 0.40 H new ATOM 0 HG2 PRO A 43 0.005 -16.092 -8.682 1.00 0.42 H new ATOM 0 HG3 PRO A 43 0.702 -17.699 -8.642 1.00 0.42 H new ATOM 0 HD2 PRO A 43 -1.911 -16.922 -9.628 1.00 0.43 H new ATOM 0 HD3 PRO A 43 -1.184 -18.517 -9.657 1.00 0.43 H new ATOM 371 N LEU A 44 -2.573 -15.233 -7.449 1.00 0.30 N ATOM 372 CA LEU A 44 -3.260 -13.906 -7.352 1.00 0.29 C ATOM 373 C LEU A 44 -2.715 -13.097 -6.168 1.00 0.27 C ATOM 374 O LEU A 44 -3.309 -12.119 -5.754 1.00 0.37 O ATOM 375 CB LEU A 44 -4.747 -14.213 -7.157 1.00 0.33 C ATOM 376 CG LEU A 44 -5.550 -12.912 -7.271 1.00 0.43 C ATOM 377 CD1 LEU A 44 -6.661 -13.079 -8.309 1.00 0.82 C ATOM 378 CD2 LEU A 44 -6.171 -12.573 -5.913 1.00 0.64 C ATOM 0 H LEU A 44 -2.103 -15.405 -8.338 1.00 0.30 H new ATOM 0 HA LEU A 44 -3.091 -13.306 -8.246 1.00 0.29 H new ATOM 0 HB2 LEU A 44 -5.084 -14.929 -7.906 1.00 0.33 H new ATOM 0 HB3 LEU A 44 -4.911 -14.671 -6.182 1.00 0.33 H new ATOM 0 HG LEU A 44 -4.884 -12.106 -7.580 1.00 0.43 H new ATOM 0 HD11 LEU A 44 -7.229 -12.152 -8.386 1.00 0.82 H new ATOM 0 HD12 LEU A 44 -6.221 -13.317 -9.278 1.00 0.82 H new ATOM 0 HD13 LEU A 44 -7.326 -13.887 -8.004 1.00 0.82 H new ATOM 0 HD21 LEU A 44 -6.742 -11.648 -5.995 1.00 0.64 H new ATOM 0 HD22 LEU A 44 -6.833 -13.382 -5.604 1.00 0.64 H new ATOM 0 HD23 LEU A 44 -5.381 -12.448 -5.173 1.00 0.64 H new ATOM 390 N LYS A 45 -1.580 -13.481 -5.634 1.00 0.26 N ATOM 391 CA LYS A 45 -0.992 -12.713 -4.496 1.00 0.27 C ATOM 392 C LYS A 45 -0.263 -11.488 -5.048 1.00 0.27 C ATOM 393 O LYS A 45 -0.164 -10.472 -4.397 1.00 0.29 O ATOM 394 CB LYS A 45 -0.021 -13.674 -3.799 1.00 0.33 C ATOM 395 CG LYS A 45 1.036 -14.169 -4.789 1.00 0.39 C ATOM 396 CD LYS A 45 2.256 -14.680 -4.021 1.00 0.44 C ATOM 397 CE LYS A 45 1.891 -15.966 -3.277 1.00 0.47 C ATOM 398 NZ LYS A 45 3.122 -16.336 -2.524 1.00 0.37 N ATOM 0 H LYS A 45 -1.039 -14.291 -5.937 1.00 0.26 H new ATOM 0 HA LYS A 45 -1.745 -12.356 -3.793 1.00 0.27 H new ATOM 0 HB2 LYS A 45 0.462 -13.170 -2.962 1.00 0.33 H new ATOM 0 HB3 LYS A 45 -0.569 -14.521 -3.388 1.00 0.33 H new ATOM 0 HG2 LYS A 45 0.624 -14.965 -5.409 1.00 0.39 H new ATOM 0 HG3 LYS A 45 1.328 -13.361 -5.460 1.00 0.39 H new ATOM 0 HD2 LYS A 45 3.080 -14.867 -4.710 1.00 0.44 H new ATOM 0 HD3 LYS A 45 2.597 -13.923 -3.315 1.00 0.44 H new ATOM 0 HE2 LYS A 45 1.049 -15.807 -2.604 1.00 0.47 H new ATOM 0 HE3 LYS A 45 1.600 -16.755 -3.971 1.00 0.47 H new ATOM 0 HZ1 LYS A 45 3.247 -17.368 -2.549 1.00 0.37 H new ATOM 0 HZ2 LYS A 45 3.947 -15.876 -2.960 1.00 0.37 H new ATOM 0 HZ3 LYS A 45 3.032 -16.022 -1.537 1.00 0.37 H new ATOM 412 N LEU A 46 0.238 -11.597 -6.257 1.00 0.26 N ATOM 413 CA LEU A 46 0.965 -10.467 -6.927 1.00 0.26 C ATOM 414 C LEU A 46 0.370 -9.097 -6.547 1.00 0.25 C ATOM 415 O LEU A 46 1.091 -8.140 -6.322 1.00 0.29 O ATOM 416 CB LEU A 46 0.755 -10.730 -8.428 1.00 0.28 C ATOM 417 CG LEU A 46 2.103 -10.814 -9.153 1.00 0.33 C ATOM 418 CD1 LEU A 46 2.892 -9.516 -8.950 1.00 0.43 C ATOM 419 CD2 LEU A 46 2.904 -11.998 -8.605 1.00 0.39 C ATOM 0 H LEU A 46 0.172 -12.444 -6.822 1.00 0.26 H new ATOM 0 HA LEU A 46 2.014 -10.431 -6.632 1.00 0.26 H new ATOM 0 HB2 LEU A 46 0.203 -11.659 -8.566 1.00 0.28 H new ATOM 0 HB3 LEU A 46 0.151 -9.933 -8.862 1.00 0.28 H new ATOM 0 HG LEU A 46 1.927 -10.956 -10.219 1.00 0.33 H new ATOM 0 HD11 LEU A 46 3.848 -9.586 -9.469 1.00 0.43 H new ATOM 0 HD12 LEU A 46 2.322 -8.677 -9.351 1.00 0.43 H new ATOM 0 HD13 LEU A 46 3.068 -9.360 -7.886 1.00 0.43 H new ATOM 0 HD21 LEU A 46 3.863 -12.058 -9.120 1.00 0.39 H new ATOM 0 HD22 LEU A 46 3.074 -11.859 -7.537 1.00 0.39 H new ATOM 0 HD23 LEU A 46 2.346 -12.921 -8.767 1.00 0.39 H new ATOM 431 N PHE A 47 -0.936 -9.003 -6.466 1.00 0.24 N ATOM 432 CA PHE A 47 -1.584 -7.706 -6.101 1.00 0.25 C ATOM 433 C PHE A 47 -1.497 -7.509 -4.591 1.00 0.25 C ATOM 434 O PHE A 47 -1.096 -6.467 -4.109 1.00 0.28 O ATOM 435 CB PHE A 47 -3.041 -7.857 -6.570 1.00 0.28 C ATOM 436 CG PHE A 47 -3.978 -7.039 -5.703 1.00 0.28 C ATOM 437 CD1 PHE A 47 -3.693 -5.697 -5.422 1.00 0.33 C ATOM 438 CD2 PHE A 47 -5.138 -7.630 -5.185 1.00 0.31 C ATOM 439 CE1 PHE A 47 -4.567 -4.948 -4.624 1.00 0.38 C ATOM 440 CE2 PHE A 47 -6.012 -6.880 -4.388 1.00 0.37 C ATOM 441 CZ PHE A 47 -5.726 -5.539 -4.108 1.00 0.39 C ATOM 0 H PHE A 47 -1.582 -9.773 -6.638 1.00 0.24 H new ATOM 0 HA PHE A 47 -1.110 -6.838 -6.559 1.00 0.25 H new ATOM 0 HB2 PHE A 47 -3.128 -7.537 -7.608 1.00 0.28 H new ATOM 0 HB3 PHE A 47 -3.331 -8.907 -6.535 1.00 0.28 H new ATOM 0 HD1 PHE A 47 -2.799 -5.240 -5.821 1.00 0.33 H new ATOM 0 HD2 PHE A 47 -5.358 -8.665 -5.401 1.00 0.31 H new ATOM 0 HE1 PHE A 47 -4.346 -3.913 -4.407 1.00 0.38 H new ATOM 0 HE2 PHE A 47 -6.906 -7.336 -3.990 1.00 0.37 H new ATOM 0 HZ PHE A 47 -6.400 -4.960 -3.494 1.00 0.39 H new ATOM 451 N MET A 48 -1.866 -8.515 -3.849 1.00 0.28 N ATOM 452 CA MET A 48 -1.808 -8.419 -2.365 1.00 0.30 C ATOM 453 C MET A 48 -0.376 -8.125 -1.918 1.00 0.29 C ATOM 454 O MET A 48 -0.135 -7.228 -1.138 1.00 0.34 O ATOM 455 CB MET A 48 -2.251 -9.797 -1.869 1.00 0.35 C ATOM 456 CG MET A 48 -3.236 -9.629 -0.715 1.00 0.46 C ATOM 457 SD MET A 48 -4.869 -10.234 -1.207 1.00 0.48 S ATOM 458 CE MET A 48 -5.109 -9.107 -2.600 1.00 0.44 C ATOM 0 H MET A 48 -2.208 -9.406 -4.210 1.00 0.28 H new ATOM 0 HA MET A 48 -2.437 -7.620 -1.972 1.00 0.30 H new ATOM 0 HB2 MET A 48 -2.717 -10.355 -2.681 1.00 0.35 H new ATOM 0 HB3 MET A 48 -1.386 -10.373 -1.542 1.00 0.35 H new ATOM 0 HG2 MET A 48 -2.883 -10.177 0.159 1.00 0.46 H new ATOM 0 HG3 MET A 48 -3.299 -8.579 -0.429 1.00 0.46 H new ATOM 0 HE1 MET A 48 -6.175 -8.948 -2.760 1.00 0.44 H new ATOM 0 HE2 MET A 48 -4.629 -8.153 -2.383 1.00 0.44 H new ATOM 0 HE3 MET A 48 -4.668 -9.539 -3.498 1.00 0.44 H new ATOM 468 N ALA A 49 0.568 -8.880 -2.413 1.00 0.30 N ATOM 469 CA ALA A 49 1.997 -8.669 -2.034 1.00 0.33 C ATOM 470 C ALA A 49 2.452 -7.255 -2.404 1.00 0.31 C ATOM 471 O ALA A 49 3.054 -6.564 -1.604 1.00 0.35 O ATOM 472 CB ALA A 49 2.777 -9.710 -2.839 1.00 0.38 C ATOM 0 H ALA A 49 0.409 -9.643 -3.071 1.00 0.30 H new ATOM 0 HA ALA A 49 2.154 -8.776 -0.961 1.00 0.33 H new ATOM 0 HB1 ALA A 49 3.840 -9.620 -2.616 1.00 0.38 H new ATOM 0 HB2 ALA A 49 2.433 -10.709 -2.572 1.00 0.38 H new ATOM 0 HB3 ALA A 49 2.614 -9.543 -3.904 1.00 0.38 H new ATOM 478 N LEU A 50 2.178 -6.820 -3.610 1.00 0.29 N ATOM 479 CA LEU A 50 2.608 -5.448 -4.020 1.00 0.31 C ATOM 480 C LEU A 50 1.990 -4.395 -3.094 1.00 0.28 C ATOM 481 O LEU A 50 2.693 -3.652 -2.431 1.00 0.31 O ATOM 482 CB LEU A 50 2.099 -5.274 -5.451 1.00 0.36 C ATOM 483 CG LEU A 50 2.844 -4.118 -6.123 1.00 0.43 C ATOM 484 CD1 LEU A 50 4.340 -4.436 -6.182 1.00 0.68 C ATOM 485 CD2 LEU A 50 2.308 -3.928 -7.544 1.00 0.62 C ATOM 0 H LEU A 50 1.679 -7.352 -4.323 1.00 0.29 H new ATOM 0 HA LEU A 50 3.689 -5.325 -3.959 1.00 0.31 H new ATOM 0 HB2 LEU A 50 2.249 -6.194 -6.016 1.00 0.36 H new ATOM 0 HB3 LEU A 50 1.027 -5.075 -5.445 1.00 0.36 H new ATOM 0 HG LEU A 50 2.691 -3.205 -5.548 1.00 0.43 H new ATOM 0 HD11 LEU A 50 4.869 -3.612 -6.661 1.00 0.68 H new ATOM 0 HD12 LEU A 50 4.723 -4.574 -5.171 1.00 0.68 H new ATOM 0 HD13 LEU A 50 4.495 -5.349 -6.756 1.00 0.68 H new ATOM 0 HD21 LEU A 50 2.837 -3.105 -8.025 1.00 0.62 H new ATOM 0 HD22 LEU A 50 2.462 -4.843 -8.116 1.00 0.62 H new ATOM 0 HD23 LEU A 50 1.243 -3.701 -7.504 1.00 0.62 H new ATOM 497 N VAL A 51 0.682 -4.329 -3.038 1.00 0.27 N ATOM 498 CA VAL A 51 0.021 -3.331 -2.156 1.00 0.28 C ATOM 499 C VAL A 51 0.424 -3.582 -0.696 1.00 0.26 C ATOM 500 O VAL A 51 0.488 -2.666 0.097 1.00 0.32 O ATOM 501 CB VAL A 51 -1.482 -3.541 -2.383 1.00 0.33 C ATOM 502 CG1 VAL A 51 -2.281 -2.814 -1.305 1.00 0.45 C ATOM 503 CG2 VAL A 51 -1.865 -2.985 -3.761 1.00 0.51 C ATOM 0 H VAL A 51 0.047 -4.926 -3.568 1.00 0.27 H new ATOM 0 HA VAL A 51 0.309 -2.303 -2.378 1.00 0.28 H new ATOM 0 HB VAL A 51 -1.707 -4.606 -2.335 1.00 0.33 H new ATOM 0 HG11 VAL A 51 -3.346 -2.969 -1.475 1.00 0.45 H new ATOM 0 HG12 VAL A 51 -2.009 -3.205 -0.325 1.00 0.45 H new ATOM 0 HG13 VAL A 51 -2.059 -1.748 -1.344 1.00 0.45 H new ATOM 0 HG21 VAL A 51 -2.932 -3.131 -3.929 1.00 0.51 H new ATOM 0 HG22 VAL A 51 -1.634 -1.921 -3.801 1.00 0.51 H new ATOM 0 HG23 VAL A 51 -1.301 -3.508 -4.534 1.00 0.51 H new ATOM 513 N ALA A 52 0.714 -4.813 -0.345 1.00 0.25 N ATOM 514 CA ALA A 52 1.132 -5.116 1.061 1.00 0.27 C ATOM 515 C ALA A 52 2.472 -4.437 1.349 1.00 0.27 C ATOM 516 O ALA A 52 2.609 -3.695 2.306 1.00 0.32 O ATOM 517 CB ALA A 52 1.275 -6.637 1.128 1.00 0.34 C ATOM 0 H ALA A 52 0.679 -5.619 -0.970 1.00 0.25 H new ATOM 0 HA ALA A 52 0.414 -4.753 1.796 1.00 0.27 H new ATOM 0 HB1 ALA A 52 1.580 -6.930 2.133 1.00 0.34 H new ATOM 0 HB2 ALA A 52 0.319 -7.103 0.888 1.00 0.34 H new ATOM 0 HB3 ALA A 52 2.028 -6.964 0.411 1.00 0.34 H new ATOM 523 N PHE A 53 3.453 -4.672 0.508 1.00 0.30 N ATOM 524 CA PHE A 53 4.790 -4.027 0.695 1.00 0.35 C ATOM 525 C PHE A 53 4.583 -2.525 0.901 1.00 0.32 C ATOM 526 O PHE A 53 4.985 -1.949 1.902 1.00 0.33 O ATOM 527 CB PHE A 53 5.536 -4.308 -0.615 1.00 0.44 C ATOM 528 CG PHE A 53 6.843 -3.553 -0.645 1.00 0.50 C ATOM 529 CD1 PHE A 53 7.781 -3.735 0.376 1.00 0.59 C ATOM 530 CD2 PHE A 53 7.117 -2.674 -1.699 1.00 0.67 C ATOM 531 CE1 PHE A 53 8.994 -3.037 0.345 1.00 0.71 C ATOM 532 CE2 PHE A 53 8.329 -1.976 -1.731 1.00 0.78 C ATOM 533 CZ PHE A 53 9.268 -2.157 -0.710 1.00 0.76 C ATOM 0 H PHE A 53 3.383 -5.286 -0.303 1.00 0.30 H new ATOM 0 HA PHE A 53 5.343 -4.402 1.556 1.00 0.35 H new ATOM 0 HB2 PHE A 53 5.723 -5.377 -0.713 1.00 0.44 H new ATOM 0 HB3 PHE A 53 4.918 -4.014 -1.464 1.00 0.44 H new ATOM 0 HD1 PHE A 53 7.570 -4.414 1.189 1.00 0.59 H new ATOM 0 HD2 PHE A 53 6.393 -2.534 -2.488 1.00 0.67 H new ATOM 0 HE1 PHE A 53 9.718 -3.177 1.134 1.00 0.71 H new ATOM 0 HE2 PHE A 53 8.540 -1.297 -2.544 1.00 0.78 H new ATOM 0 HZ PHE A 53 10.204 -1.619 -0.735 1.00 0.76 H new ATOM 543 N LEU A 54 3.915 -1.899 -0.031 1.00 0.33 N ATOM 544 CA LEU A 54 3.632 -0.446 0.103 1.00 0.35 C ATOM 545 C LEU A 54 2.840 -0.209 1.391 1.00 0.32 C ATOM 546 O LEU A 54 3.037 0.774 2.075 1.00 0.36 O ATOM 547 CB LEU A 54 2.794 -0.092 -1.129 1.00 0.38 C ATOM 548 CG LEU A 54 3.707 0.382 -2.265 1.00 0.43 C ATOM 549 CD1 LEU A 54 4.480 1.627 -1.823 1.00 0.52 C ATOM 550 CD2 LEU A 54 4.696 -0.731 -2.626 1.00 0.58 C ATOM 0 H LEU A 54 3.554 -2.335 -0.880 1.00 0.33 H new ATOM 0 HA LEU A 54 4.534 0.164 0.158 1.00 0.35 H new ATOM 0 HB2 LEU A 54 2.220 -0.961 -1.451 1.00 0.38 H new ATOM 0 HB3 LEU A 54 2.076 0.689 -0.879 1.00 0.38 H new ATOM 0 HG LEU A 54 3.099 0.626 -3.136 1.00 0.43 H new ATOM 0 HD11 LEU A 54 5.128 1.960 -2.634 1.00 0.52 H new ATOM 0 HD12 LEU A 54 3.777 2.421 -1.570 1.00 0.52 H new ATOM 0 HD13 LEU A 54 5.086 1.388 -0.949 1.00 0.52 H new ATOM 0 HD21 LEU A 54 5.345 -0.393 -3.434 1.00 0.58 H new ATOM 0 HD22 LEU A 54 5.301 -0.977 -1.753 1.00 0.58 H new ATOM 0 HD23 LEU A 54 4.147 -1.616 -2.948 1.00 0.58 H new ATOM 562 N ARG A 55 1.961 -1.123 1.732 1.00 0.29 N ATOM 563 CA ARG A 55 1.160 -0.974 2.986 1.00 0.29 C ATOM 564 C ARG A 55 2.047 -1.204 4.216 1.00 0.29 C ATOM 565 O ARG A 55 1.632 -0.980 5.338 1.00 0.36 O ATOM 566 CB ARG A 55 0.064 -2.041 2.904 1.00 0.30 C ATOM 567 CG ARG A 55 -0.928 -1.846 4.054 1.00 0.34 C ATOM 568 CD ARG A 55 -0.660 -2.885 5.146 1.00 0.41 C ATOM 569 NE ARG A 55 -1.399 -2.385 6.339 1.00 0.45 N ATOM 570 CZ ARG A 55 -0.769 -2.197 7.466 1.00 0.43 C ATOM 571 NH1 ARG A 55 0.140 -1.264 7.558 1.00 0.43 N ATOM 572 NH2 ARG A 55 -1.046 -2.941 8.501 1.00 0.51 N ATOM 0 H ARG A 55 1.765 -1.967 1.193 1.00 0.29 H new ATOM 0 HA ARG A 55 0.739 0.027 3.081 1.00 0.29 H new ATOM 0 HB2 ARG A 55 -0.454 -1.972 1.947 1.00 0.30 H new ATOM 0 HB3 ARG A 55 0.506 -3.036 2.956 1.00 0.30 H new ATOM 0 HG2 ARG A 55 -0.832 -0.840 4.464 1.00 0.34 H new ATOM 0 HG3 ARG A 55 -1.950 -1.945 3.687 1.00 0.34 H new ATOM 0 HD2 ARG A 55 -1.013 -3.872 4.848 1.00 0.41 H new ATOM 0 HD3 ARG A 55 0.407 -2.976 5.351 1.00 0.41 H new ATOM 0 HE ARG A 55 -2.398 -2.190 6.275 1.00 0.45 H new ATOM 0 HH11 ARG A 55 0.357 -0.682 6.749 1.00 0.43 H new ATOM 0 HH12 ARG A 55 0.633 -1.117 8.439 1.00 0.43 H new ATOM 0 HH21 ARG A 55 -1.755 -3.670 8.430 1.00 0.51 H new ATOM 0 HH22 ARG A 55 -0.553 -2.793 9.382 1.00 0.51 H new ATOM 586 N PHE A 56 3.264 -1.645 4.018 1.00 0.27 N ATOM 587 CA PHE A 56 4.171 -1.875 5.180 1.00 0.29 C ATOM 588 C PHE A 56 5.141 -0.702 5.342 1.00 0.31 C ATOM 589 O PHE A 56 5.726 -0.522 6.394 1.00 0.34 O ATOM 590 CB PHE A 56 4.954 -3.149 4.848 1.00 0.31 C ATOM 591 CG PHE A 56 4.019 -4.332 4.685 1.00 0.34 C ATOM 592 CD1 PHE A 56 2.761 -4.353 5.312 1.00 0.43 C ATOM 593 CD2 PHE A 56 4.424 -5.421 3.903 1.00 0.54 C ATOM 594 CE1 PHE A 56 1.918 -5.459 5.154 1.00 0.51 C ATOM 595 CE2 PHE A 56 3.578 -6.525 3.746 1.00 0.64 C ATOM 596 CZ PHE A 56 2.326 -6.544 4.371 1.00 0.56 C ATOM 0 H PHE A 56 3.666 -1.855 3.104 1.00 0.27 H new ATOM 0 HA PHE A 56 3.610 -1.968 6.110 1.00 0.29 H new ATOM 0 HB2 PHE A 56 5.524 -3.002 3.931 1.00 0.31 H new ATOM 0 HB3 PHE A 56 5.673 -3.355 5.640 1.00 0.31 H new ATOM 0 HD1 PHE A 56 2.445 -3.515 5.916 1.00 0.43 H new ATOM 0 HD2 PHE A 56 5.390 -5.409 3.421 1.00 0.54 H new ATOM 0 HE1 PHE A 56 0.952 -5.475 5.637 1.00 0.51 H new ATOM 0 HE2 PHE A 56 3.892 -7.363 3.142 1.00 0.64 H new ATOM 0 HZ PHE A 56 1.675 -7.397 4.249 1.00 0.56 H new ATOM 606 N LEU A 57 5.346 0.078 4.305 1.00 0.33 N ATOM 607 CA LEU A 57 6.320 1.213 4.415 1.00 0.38 C ATOM 608 C LEU A 57 5.628 2.584 4.482 1.00 0.44 C ATOM 609 O LEU A 57 5.937 3.388 5.342 1.00 0.54 O ATOM 610 CB LEU A 57 7.177 1.123 3.151 1.00 0.41 C ATOM 611 CG LEU A 57 7.600 -0.331 2.903 1.00 0.38 C ATOM 612 CD1 LEU A 57 8.512 -0.399 1.675 1.00 0.47 C ATOM 613 CD2 LEU A 57 8.344 -0.873 4.129 1.00 0.45 C ATOM 0 H LEU A 57 4.888 -0.020 3.399 1.00 0.33 H new ATOM 0 HA LEU A 57 6.899 1.131 5.335 1.00 0.38 H new ATOM 0 HB2 LEU A 57 6.616 1.498 2.295 1.00 0.41 H new ATOM 0 HB3 LEU A 57 8.060 1.754 3.255 1.00 0.41 H new ATOM 0 HG LEU A 57 6.711 -0.937 2.727 1.00 0.38 H new ATOM 0 HD11 LEU A 57 8.811 -1.433 1.501 1.00 0.47 H new ATOM 0 HD12 LEU A 57 7.976 -0.024 0.803 1.00 0.47 H new ATOM 0 HD13 LEU A 57 9.399 0.211 1.846 1.00 0.47 H new ATOM 0 HD21 LEU A 57 8.642 -1.906 3.947 1.00 0.45 H new ATOM 0 HD22 LEU A 57 9.231 -0.267 4.314 1.00 0.45 H new ATOM 0 HD23 LEU A 57 7.689 -0.832 4.999 1.00 0.45 H new ATOM 625 N THR A 58 4.728 2.874 3.574 1.00 0.43 N ATOM 626 CA THR A 58 4.059 4.215 3.584 1.00 0.50 C ATOM 627 C THR A 58 2.543 4.083 3.396 1.00 0.47 C ATOM 628 O THR A 58 1.807 5.035 3.574 1.00 0.52 O ATOM 629 CB THR A 58 4.683 4.955 2.401 1.00 0.58 C ATOM 630 OG1 THR A 58 6.072 5.139 2.639 1.00 0.85 O ATOM 631 CG2 THR A 58 4.010 6.315 2.231 1.00 0.76 C ATOM 0 H THR A 58 4.428 2.245 2.830 1.00 0.43 H new ATOM 0 HA THR A 58 4.200 4.736 4.531 1.00 0.50 H new ATOM 0 HB THR A 58 4.543 4.369 1.493 1.00 0.58 H new ATOM 0 HG1 THR A 58 6.474 5.612 1.881 1.00 0.85 H new ATOM 0 HG21 THR A 58 4.458 6.839 1.387 1.00 0.76 H new ATOM 0 HG22 THR A 58 2.945 6.173 2.047 1.00 0.76 H new ATOM 0 HG23 THR A 58 4.146 6.904 3.138 1.00 0.76 H new ATOM 639 N ILE A 59 2.080 2.913 3.047 1.00 0.43 N ATOM 640 CA ILE A 59 0.618 2.687 2.848 1.00 0.41 C ATOM 641 C ILE A 59 0.007 3.729 1.895 1.00 0.44 C ATOM 642 O ILE A 59 -0.890 4.460 2.269 1.00 0.49 O ATOM 643 CB ILE A 59 0.013 2.799 4.247 1.00 0.45 C ATOM 644 CG1 ILE A 59 0.667 1.767 5.170 1.00 0.45 C ATOM 645 CG2 ILE A 59 -1.494 2.526 4.172 1.00 0.47 C ATOM 646 CD1 ILE A 59 1.780 2.427 5.989 1.00 0.48 C ATOM 0 H ILE A 59 2.662 2.091 2.889 1.00 0.43 H new ATOM 0 HA ILE A 59 0.418 1.720 2.387 1.00 0.41 H new ATOM 0 HB ILE A 59 0.186 3.801 4.639 1.00 0.45 H new ATOM 0 HG12 ILE A 59 -0.081 1.338 5.837 1.00 0.45 H new ATOM 0 HG13 ILE A 59 1.076 0.947 4.580 1.00 0.45 H new ATOM 0 HG21 ILE A 59 -1.928 2.605 5.169 1.00 0.47 H new ATOM 0 HG22 ILE A 59 -1.964 3.256 3.513 1.00 0.47 H new ATOM 0 HG23 ILE A 59 -1.663 1.523 3.781 1.00 0.47 H new ATOM 0 HD11 ILE A 59 2.239 1.685 6.643 1.00 0.48 H new ATOM 0 HD12 ILE A 59 2.534 2.834 5.316 1.00 0.48 H new ATOM 0 HD13 ILE A 59 1.360 3.232 6.592 1.00 0.48 H new ATOM 658 N PRO A 60 0.505 3.754 0.682 1.00 0.44 N ATOM 659 CA PRO A 60 -0.002 4.667 -0.355 1.00 0.47 C ATOM 660 C PRO A 60 -0.876 3.882 -1.361 1.00 0.44 C ATOM 661 O PRO A 60 -0.494 3.728 -2.507 1.00 0.48 O ATOM 662 CB PRO A 60 1.300 5.108 -1.027 1.00 0.54 C ATOM 663 CG PRO A 60 2.278 3.981 -0.778 1.00 0.53 C ATOM 664 CD PRO A 60 1.608 2.980 0.141 1.00 0.47 C ATOM 0 HA PRO A 60 -0.616 5.485 0.020 1.00 0.47 H new ATOM 0 HB2 PRO A 60 1.155 5.275 -2.094 1.00 0.54 H new ATOM 0 HB3 PRO A 60 1.663 6.045 -0.605 1.00 0.54 H new ATOM 0 HG2 PRO A 60 2.561 3.507 -1.718 1.00 0.53 H new ATOM 0 HG3 PRO A 60 3.193 4.363 -0.325 1.00 0.53 H new ATOM 0 HD2 PRO A 60 1.261 2.099 -0.399 1.00 0.47 H new ATOM 0 HD3 PRO A 60 2.282 2.630 0.923 1.00 0.47 H new ATOM 672 N PRO A 61 -2.014 3.388 -0.914 1.00 0.42 N ATOM 673 CA PRO A 61 -2.893 2.605 -1.818 1.00 0.41 C ATOM 674 C PRO A 61 -3.496 3.506 -2.895 1.00 0.39 C ATOM 675 O PRO A 61 -4.291 4.383 -2.609 1.00 0.44 O ATOM 676 CB PRO A 61 -3.975 2.055 -0.896 1.00 0.44 C ATOM 677 CG PRO A 61 -4.002 2.997 0.257 1.00 0.46 C ATOM 678 CD PRO A 61 -2.593 3.504 0.430 1.00 0.45 C ATOM 0 HA PRO A 61 -2.359 1.817 -2.349 1.00 0.41 H new ATOM 0 HB2 PRO A 61 -4.941 2.016 -1.398 1.00 0.44 H new ATOM 0 HB3 PRO A 61 -3.742 1.040 -0.573 1.00 0.44 H new ATOM 0 HG2 PRO A 61 -4.690 3.821 0.068 1.00 0.46 H new ATOM 0 HG3 PRO A 61 -4.347 2.494 1.161 1.00 0.46 H new ATOM 0 HD2 PRO A 61 -2.579 4.535 0.784 1.00 0.45 H new ATOM 0 HD3 PRO A 61 -2.040 2.909 1.157 1.00 0.45 H new ATOM 686 N THR A 62 -3.121 3.293 -4.130 1.00 0.38 N ATOM 687 CA THR A 62 -3.663 4.127 -5.243 1.00 0.36 C ATOM 688 C THR A 62 -5.200 4.055 -5.247 1.00 0.35 C ATOM 689 O THR A 62 -5.790 3.249 -4.553 1.00 0.38 O ATOM 690 CB THR A 62 -3.031 3.531 -6.519 1.00 0.36 C ATOM 691 OG1 THR A 62 -2.431 4.573 -7.272 1.00 0.38 O ATOM 692 CG2 THR A 62 -4.078 2.823 -7.385 1.00 0.37 C ATOM 0 H THR A 62 -2.458 2.572 -4.416 1.00 0.38 H new ATOM 0 HA THR A 62 -3.421 5.186 -5.154 1.00 0.36 H new ATOM 0 HB THR A 62 -2.284 2.797 -6.219 1.00 0.36 H new ATOM 0 HG1 THR A 62 -2.027 4.200 -8.083 1.00 0.38 H new ATOM 0 HG21 THR A 62 -3.599 2.415 -8.275 1.00 0.37 H new ATOM 0 HG22 THR A 62 -4.534 2.013 -6.815 1.00 0.37 H new ATOM 0 HG23 THR A 62 -4.847 3.536 -7.682 1.00 0.37 H new ATOM 700 N ALA A 63 -5.843 4.904 -6.008 1.00 0.36 N ATOM 701 CA ALA A 63 -7.342 4.911 -6.051 1.00 0.38 C ATOM 702 C ALA A 63 -7.902 3.522 -6.378 1.00 0.35 C ATOM 703 O ALA A 63 -8.886 3.093 -5.804 1.00 0.39 O ATOM 704 CB ALA A 63 -7.700 5.901 -7.160 1.00 0.43 C ATOM 0 H ALA A 63 -5.394 5.598 -6.606 1.00 0.36 H new ATOM 0 HA ALA A 63 -7.766 5.190 -5.086 1.00 0.38 H new ATOM 0 HB1 ALA A 63 -8.784 5.964 -7.256 1.00 0.43 H new ATOM 0 HB2 ALA A 63 -7.300 6.884 -6.913 1.00 0.43 H new ATOM 0 HB3 ALA A 63 -7.272 5.561 -8.103 1.00 0.43 H new ATOM 710 N GLY A 64 -7.295 2.826 -7.303 1.00 0.32 N ATOM 711 CA GLY A 64 -7.799 1.473 -7.685 1.00 0.31 C ATOM 712 C GLY A 64 -7.783 0.532 -6.479 1.00 0.28 C ATOM 713 O GLY A 64 -8.747 -0.158 -6.220 1.00 0.29 O ATOM 0 H GLY A 64 -6.468 3.138 -7.813 1.00 0.32 H new ATOM 0 HA2 GLY A 64 -8.813 1.554 -8.076 1.00 0.31 H new ATOM 0 HA3 GLY A 64 -7.181 1.061 -8.483 1.00 0.31 H new ATOM 717 N ILE A 65 -6.694 0.493 -5.751 1.00 0.28 N ATOM 718 CA ILE A 65 -6.599 -0.412 -4.560 1.00 0.28 C ATOM 719 C ILE A 65 -7.851 -0.283 -3.689 1.00 0.28 C ATOM 720 O ILE A 65 -8.296 -1.240 -3.088 1.00 0.32 O ATOM 721 CB ILE A 65 -5.363 0.060 -3.776 1.00 0.31 C ATOM 722 CG1 ILE A 65 -4.121 0.086 -4.682 1.00 0.34 C ATOM 723 CG2 ILE A 65 -5.106 -0.888 -2.599 1.00 0.32 C ATOM 724 CD1 ILE A 65 -4.026 -1.208 -5.493 1.00 0.35 C ATOM 0 H ILE A 65 -5.860 1.053 -5.931 1.00 0.28 H new ATOM 0 HA ILE A 65 -6.517 -1.457 -4.859 1.00 0.28 H new ATOM 0 HB ILE A 65 -5.554 1.068 -3.408 1.00 0.31 H new ATOM 0 HG12 ILE A 65 -4.172 0.942 -5.355 1.00 0.34 H new ATOM 0 HG13 ILE A 65 -3.223 0.210 -4.076 1.00 0.34 H new ATOM 0 HG21 ILE A 65 -4.230 -0.551 -2.045 1.00 0.32 H new ATOM 0 HG22 ILE A 65 -5.973 -0.892 -1.939 1.00 0.32 H new ATOM 0 HG23 ILE A 65 -4.932 -1.896 -2.975 1.00 0.32 H new ATOM 0 HD11 ILE A 65 -3.142 -1.174 -6.129 1.00 0.35 H new ATOM 0 HD12 ILE A 65 -3.953 -2.058 -4.815 1.00 0.35 H new ATOM 0 HD13 ILE A 65 -4.916 -1.315 -6.114 1.00 0.35 H new ATOM 736 N LEU A 66 -8.418 0.894 -3.628 1.00 0.32 N ATOM 737 CA LEU A 66 -9.641 1.098 -2.798 1.00 0.35 C ATOM 738 C LEU A 66 -10.882 0.657 -3.576 1.00 0.35 C ATOM 739 O LEU A 66 -11.664 -0.149 -3.108 1.00 0.40 O ATOM 740 CB LEU A 66 -9.701 2.606 -2.519 1.00 0.43 C ATOM 741 CG LEU A 66 -8.756 2.990 -1.370 1.00 0.49 C ATOM 742 CD1 LEU A 66 -9.118 2.214 -0.098 1.00 0.67 C ATOM 743 CD2 LEU A 66 -7.307 2.687 -1.766 1.00 0.50 C ATOM 0 H LEU A 66 -8.085 1.724 -4.119 1.00 0.32 H new ATOM 0 HA LEU A 66 -9.609 0.516 -1.877 1.00 0.35 H new ATOM 0 HB2 LEU A 66 -9.428 3.157 -3.419 1.00 0.43 H new ATOM 0 HB3 LEU A 66 -10.722 2.893 -2.267 1.00 0.43 H new ATOM 0 HG LEU A 66 -8.862 4.057 -1.172 1.00 0.49 H new ATOM 0 HD11 LEU A 66 -8.439 2.497 0.707 1.00 0.67 H new ATOM 0 HD12 LEU A 66 -10.142 2.448 0.192 1.00 0.67 H new ATOM 0 HD13 LEU A 66 -9.030 1.144 -0.287 1.00 0.67 H new ATOM 0 HD21 LEU A 66 -6.641 2.961 -0.948 1.00 0.50 H new ATOM 0 HD22 LEU A 66 -7.203 1.623 -1.978 1.00 0.50 H new ATOM 0 HD23 LEU A 66 -7.045 3.261 -2.655 1.00 0.50 H new ATOM 755 N LYS A 67 -11.064 1.184 -4.762 1.00 0.35 N ATOM 756 CA LYS A 67 -12.253 0.805 -5.585 1.00 0.38 C ATOM 757 C LYS A 67 -12.278 -0.709 -5.803 1.00 0.36 C ATOM 758 O LYS A 67 -13.328 -1.310 -5.926 1.00 0.42 O ATOM 759 CB LYS A 67 -12.066 1.538 -6.914 1.00 0.43 C ATOM 760 CG LYS A 67 -12.503 2.996 -6.758 1.00 0.50 C ATOM 761 CD LYS A 67 -14.031 3.073 -6.745 1.00 0.59 C ATOM 762 CE LYS A 67 -14.573 2.754 -8.142 1.00 0.64 C ATOM 763 NZ LYS A 67 -15.687 1.792 -7.912 1.00 0.74 N ATOM 0 H LYS A 67 -10.438 1.862 -5.196 1.00 0.35 H new ATOM 0 HA LYS A 67 -13.194 1.073 -5.104 1.00 0.38 H new ATOM 0 HB2 LYS A 67 -11.022 1.491 -7.224 1.00 0.43 H new ATOM 0 HB3 LYS A 67 -12.652 1.053 -7.695 1.00 0.43 H new ATOM 0 HG2 LYS A 67 -12.100 3.411 -5.834 1.00 0.50 H new ATOM 0 HG3 LYS A 67 -12.105 3.595 -7.577 1.00 0.50 H new ATOM 0 HD2 LYS A 67 -14.435 2.369 -6.018 1.00 0.59 H new ATOM 0 HD3 LYS A 67 -14.353 4.068 -6.437 1.00 0.59 H new ATOM 0 HE2 LYS A 67 -14.927 3.655 -8.644 1.00 0.64 H new ATOM 0 HE3 LYS A 67 -13.800 2.319 -8.776 1.00 0.64 H new ATOM 0 HZ1 LYS A 67 -16.110 1.526 -8.824 1.00 0.74 H new ATOM 0 HZ2 LYS A 67 -15.319 0.942 -7.439 1.00 0.74 H new ATOM 0 HZ3 LYS A 67 -16.411 2.236 -7.312 1.00 0.74 H new ATOM 777 N ARG A 68 -11.124 -1.326 -5.841 1.00 0.31 N ATOM 778 CA ARG A 68 -11.064 -2.802 -6.040 1.00 0.32 C ATOM 779 C ARG A 68 -11.227 -3.510 -4.688 1.00 0.30 C ATOM 780 O ARG A 68 -11.750 -4.603 -4.607 1.00 0.39 O ATOM 781 CB ARG A 68 -9.684 -3.062 -6.669 1.00 0.31 C ATOM 782 CG ARG A 68 -8.679 -3.537 -5.613 1.00 0.31 C ATOM 783 CD ARG A 68 -7.284 -3.618 -6.241 1.00 0.35 C ATOM 784 NE ARG A 68 -7.195 -4.988 -6.824 1.00 0.38 N ATOM 785 CZ ARG A 68 -7.913 -5.308 -7.867 1.00 0.40 C ATOM 786 NH1 ARG A 68 -8.034 -4.469 -8.860 1.00 0.41 N ATOM 787 NH2 ARG A 68 -8.509 -6.468 -7.917 1.00 0.52 N ATOM 0 H ARG A 68 -10.218 -0.867 -5.742 1.00 0.31 H new ATOM 0 HA ARG A 68 -11.859 -3.183 -6.681 1.00 0.32 H new ATOM 0 HB2 ARG A 68 -9.774 -3.813 -7.454 1.00 0.31 H new ATOM 0 HB3 ARG A 68 -9.318 -2.150 -7.140 1.00 0.31 H new ATOM 0 HG2 ARG A 68 -8.670 -2.849 -4.768 1.00 0.31 H new ATOM 0 HG3 ARG A 68 -8.974 -4.513 -5.227 1.00 0.31 H new ATOM 0 HD2 ARG A 68 -7.153 -2.855 -7.008 1.00 0.35 H new ATOM 0 HD3 ARG A 68 -6.506 -3.457 -5.494 1.00 0.35 H new ATOM 0 HE ARG A 68 -6.571 -5.678 -6.406 1.00 0.38 H new ATOM 0 HH11 ARG A 68 -7.568 -3.563 -8.822 1.00 0.41 H new ATOM 0 HH12 ARG A 68 -8.595 -4.720 -9.674 1.00 0.41 H new ATOM 0 HH21 ARG A 68 -8.414 -7.124 -7.142 1.00 0.52 H new ATOM 0 HH22 ARG A 68 -9.070 -6.719 -8.731 1.00 0.52 H new ATOM 801 N TRP A 69 -10.777 -2.879 -3.632 1.00 0.27 N ATOM 802 CA TRP A 69 -10.885 -3.479 -2.263 1.00 0.27 C ATOM 803 C TRP A 69 -12.307 -3.977 -1.968 1.00 0.31 C ATOM 804 O TRP A 69 -12.490 -4.934 -1.241 1.00 0.40 O ATOM 805 CB TRP A 69 -10.548 -2.326 -1.323 1.00 0.27 C ATOM 806 CG TRP A 69 -9.863 -2.838 -0.100 1.00 0.29 C ATOM 807 CD1 TRP A 69 -10.321 -2.667 1.158 1.00 0.37 C ATOM 808 CD2 TRP A 69 -8.610 -3.581 0.017 1.00 0.30 C ATOM 809 NE1 TRP A 69 -9.436 -3.251 2.039 1.00 0.41 N ATOM 810 CE2 TRP A 69 -8.366 -3.825 1.390 1.00 0.37 C ATOM 811 CE3 TRP A 69 -7.669 -4.062 -0.916 1.00 0.30 C ATOM 812 CZ2 TRP A 69 -7.236 -4.513 1.823 1.00 0.42 C ATOM 813 CZ3 TRP A 69 -6.530 -4.756 -0.479 1.00 0.37 C ATOM 814 CH2 TRP A 69 -6.316 -4.978 0.888 1.00 0.42 C ATOM 0 H TRP A 69 -10.333 -1.961 -3.659 1.00 0.27 H new ATOM 0 HA TRP A 69 -10.228 -4.342 -2.154 1.00 0.27 H new ATOM 0 HB2 TRP A 69 -9.907 -1.607 -1.833 1.00 0.27 H new ATOM 0 HB3 TRP A 69 -11.459 -1.798 -1.043 1.00 0.27 H new ATOM 0 HD1 TRP A 69 -11.233 -2.156 1.430 1.00 0.37 H new ATOM 0 HE1 TRP A 69 -9.559 -3.257 3.052 1.00 0.41 H new ATOM 0 HE3 TRP A 69 -7.825 -3.896 -1.972 1.00 0.30 H new ATOM 0 HZ2 TRP A 69 -7.074 -4.685 2.877 1.00 0.42 H new ATOM 0 HZ3 TRP A 69 -5.814 -5.121 -1.201 1.00 0.37 H new ATOM 0 HH2 TRP A 69 -5.436 -5.511 1.216 1.00 0.42 H new ATOM 825 N GLY A 70 -13.311 -3.320 -2.499 1.00 0.32 N ATOM 826 CA GLY A 70 -14.718 -3.743 -2.218 1.00 0.37 C ATOM 827 C GLY A 70 -15.407 -4.234 -3.493 1.00 0.39 C ATOM 828 O GLY A 70 -16.530 -3.862 -3.776 1.00 0.47 O ATOM 0 H GLY A 70 -13.216 -2.511 -3.113 1.00 0.32 H new ATOM 0 HA2 GLY A 70 -14.721 -4.536 -1.470 1.00 0.37 H new ATOM 0 HA3 GLY A 70 -15.276 -2.906 -1.798 1.00 0.37 H new ATOM 832 N THR A 71 -14.755 -5.076 -4.254 1.00 0.35 N ATOM 833 CA THR A 71 -15.388 -5.602 -5.502 1.00 0.39 C ATOM 834 C THR A 71 -14.545 -6.738 -6.092 1.00 0.36 C ATOM 835 O THR A 71 -14.517 -6.941 -7.292 1.00 0.41 O ATOM 836 CB THR A 71 -15.452 -4.411 -6.463 1.00 0.44 C ATOM 837 OG1 THR A 71 -16.094 -4.809 -7.666 1.00 0.48 O ATOM 838 CG2 THR A 71 -14.040 -3.923 -6.776 1.00 0.46 C ATOM 0 H THR A 71 -13.814 -5.421 -4.066 1.00 0.35 H new ATOM 0 HA THR A 71 -16.379 -6.015 -5.313 1.00 0.39 H new ATOM 0 HB THR A 71 -16.016 -3.603 -5.998 1.00 0.44 H new ATOM 0 HG1 THR A 71 -15.770 -5.695 -7.932 1.00 0.48 H new ATOM 0 HG21 THR A 71 -14.091 -3.076 -7.460 1.00 0.46 H new ATOM 0 HG22 THR A 71 -13.548 -3.615 -5.853 1.00 0.46 H new ATOM 0 HG23 THR A 71 -13.471 -4.729 -7.239 1.00 0.46 H new ATOM 846 N ILE A 72 -13.867 -7.484 -5.254 1.00 0.34 N ATOM 847 CA ILE A 72 -13.033 -8.616 -5.757 1.00 0.34 C ATOM 848 C ILE A 72 -13.622 -9.952 -5.277 1.00 0.36 C ATOM 849 O ILE A 72 -14.790 -10.222 -5.483 1.00 0.49 O ATOM 850 CB ILE A 72 -11.629 -8.373 -5.189 1.00 0.32 C ATOM 851 CG1 ILE A 72 -11.687 -8.298 -3.662 1.00 0.30 C ATOM 852 CG2 ILE A 72 -11.074 -7.059 -5.743 1.00 0.37 C ATOM 853 CD1 ILE A 72 -10.377 -8.838 -3.081 1.00 0.32 C ATOM 0 H ILE A 72 -13.856 -7.356 -4.242 1.00 0.34 H new ATOM 0 HA ILE A 72 -13.005 -8.666 -6.845 1.00 0.34 H new ATOM 0 HB ILE A 72 -10.979 -9.198 -5.481 1.00 0.32 H new ATOM 0 HG12 ILE A 72 -11.843 -7.268 -3.342 1.00 0.30 H new ATOM 0 HG13 ILE A 72 -12.531 -8.879 -3.289 1.00 0.30 H new ATOM 0 HG21 ILE A 72 -10.076 -6.886 -5.339 1.00 0.37 H new ATOM 0 HG22 ILE A 72 -11.021 -7.116 -6.830 1.00 0.37 H new ATOM 0 HG23 ILE A 72 -11.729 -6.237 -5.455 1.00 0.37 H new ATOM 0 HD11 ILE A 72 -10.413 -8.787 -1.993 1.00 0.32 H new ATOM 0 HD12 ILE A 72 -10.241 -9.874 -3.391 1.00 0.32 H new ATOM 0 HD13 ILE A 72 -9.543 -8.238 -3.445 1.00 0.32 H new ATOM 865 N LYS A 73 -12.830 -10.793 -4.657 1.00 0.34 N ATOM 866 CA LYS A 73 -13.352 -12.112 -4.189 1.00 0.36 C ATOM 867 C LYS A 73 -13.282 -12.227 -2.671 1.00 0.31 C ATOM 868 O LYS A 73 -14.143 -12.821 -2.052 1.00 0.35 O ATOM 869 CB LYS A 73 -12.419 -13.137 -4.822 1.00 0.42 C ATOM 870 CG LYS A 73 -12.880 -14.545 -4.458 1.00 0.42 C ATOM 871 CD LYS A 73 -13.739 -15.116 -5.589 1.00 0.57 C ATOM 872 CE LYS A 73 -15.221 -14.926 -5.254 1.00 0.82 C ATOM 873 NZ LYS A 73 -15.847 -14.467 -6.525 1.00 0.87 N ATOM 0 H LYS A 73 -11.845 -10.622 -4.456 1.00 0.34 H new ATOM 0 HA LYS A 73 -14.397 -12.252 -4.466 1.00 0.36 H new ATOM 0 HB2 LYS A 73 -12.410 -13.015 -5.905 1.00 0.42 H new ATOM 0 HB3 LYS A 73 -11.398 -12.977 -4.475 1.00 0.42 H new ATOM 0 HG2 LYS A 73 -12.016 -15.187 -4.285 1.00 0.42 H new ATOM 0 HG3 LYS A 73 -13.452 -14.522 -3.530 1.00 0.42 H new ATOM 0 HD2 LYS A 73 -13.501 -14.616 -6.528 1.00 0.57 H new ATOM 0 HD3 LYS A 73 -13.520 -16.175 -5.727 1.00 0.57 H new ATOM 0 HE2 LYS A 73 -15.670 -15.857 -4.907 1.00 0.82 H new ATOM 0 HE3 LYS A 73 -15.355 -14.191 -4.460 1.00 0.82 H new ATOM 0 HZ1 LYS A 73 -16.865 -14.315 -6.376 1.00 0.87 H new ATOM 0 HZ2 LYS A 73 -15.405 -13.576 -6.828 1.00 0.87 H new ATOM 0 HZ3 LYS A 73 -15.709 -15.189 -7.260 1.00 0.87 H new ATOM 887 N LYS A 74 -12.245 -11.694 -2.086 1.00 0.28 N ATOM 888 CA LYS A 74 -12.044 -11.773 -0.604 1.00 0.27 C ATOM 889 C LYS A 74 -11.658 -13.202 -0.203 1.00 0.28 C ATOM 890 O LYS A 74 -10.713 -13.408 0.532 1.00 0.30 O ATOM 891 CB LYS A 74 -13.362 -11.366 0.081 1.00 0.29 C ATOM 892 CG LYS A 74 -13.994 -10.151 -0.601 1.00 0.32 C ATOM 893 CD LYS A 74 -12.949 -9.052 -0.810 1.00 0.30 C ATOM 894 CE LYS A 74 -12.480 -8.537 0.550 1.00 0.35 C ATOM 895 NZ LYS A 74 -12.270 -7.074 0.359 1.00 0.69 N ATOM 0 H LYS A 74 -11.508 -11.194 -2.583 1.00 0.28 H new ATOM 0 HA LYS A 74 -11.241 -11.104 -0.296 1.00 0.27 H new ATOM 0 HB2 LYS A 74 -14.060 -12.203 0.056 1.00 0.29 H new ATOM 0 HB3 LYS A 74 -13.173 -11.139 1.130 1.00 0.29 H new ATOM 0 HG2 LYS A 74 -14.419 -10.445 -1.561 1.00 0.32 H new ATOM 0 HG3 LYS A 74 -14.814 -9.770 0.007 1.00 0.32 H new ATOM 0 HD2 LYS A 74 -12.103 -9.442 -1.376 1.00 0.30 H new ATOM 0 HD3 LYS A 74 -13.374 -8.236 -1.394 1.00 0.30 H new ATOM 0 HE2 LYS A 74 -13.224 -8.731 1.323 1.00 0.35 H new ATOM 0 HE3 LYS A 74 -11.559 -9.030 0.862 1.00 0.35 H new ATOM 0 HZ1 LYS A 74 -12.670 -6.557 1.168 1.00 0.69 H new ATOM 0 HZ2 LYS A 74 -11.251 -6.875 0.291 1.00 0.69 H new ATOM 0 HZ3 LYS A 74 -12.742 -6.767 -0.516 1.00 0.69 H new ATOM 909 N SER A 75 -12.372 -14.191 -0.685 1.00 0.30 N ATOM 910 CA SER A 75 -12.035 -15.601 -0.326 1.00 0.34 C ATOM 911 C SER A 75 -10.611 -15.916 -0.776 1.00 0.33 C ATOM 912 O SER A 75 -9.836 -16.494 -0.042 1.00 0.37 O ATOM 913 CB SER A 75 -13.051 -16.470 -1.072 1.00 0.42 C ATOM 914 OG SER A 75 -12.735 -16.492 -2.457 1.00 0.79 O ATOM 0 H SER A 75 -13.171 -14.081 -1.310 1.00 0.30 H new ATOM 0 HA SER A 75 -12.081 -15.780 0.748 1.00 0.34 H new ATOM 0 HB2 SER A 75 -13.042 -17.483 -0.671 1.00 0.42 H new ATOM 0 HB3 SER A 75 -14.057 -16.078 -0.925 1.00 0.42 H new ATOM 0 HG SER A 75 -13.386 -17.050 -2.932 1.00 0.79 H new ATOM 920 N LYS A 76 -10.263 -15.524 -1.974 1.00 0.33 N ATOM 921 CA LYS A 76 -8.884 -15.781 -2.477 1.00 0.34 C ATOM 922 C LYS A 76 -7.909 -14.798 -1.823 1.00 0.30 C ATOM 923 O LYS A 76 -6.819 -15.166 -1.430 1.00 0.32 O ATOM 924 CB LYS A 76 -8.957 -15.556 -3.989 1.00 0.40 C ATOM 925 CG LYS A 76 -8.566 -16.847 -4.714 1.00 0.46 C ATOM 926 CD LYS A 76 -8.029 -16.517 -6.110 1.00 0.50 C ATOM 927 CE LYS A 76 -6.587 -17.015 -6.237 1.00 0.44 C ATOM 928 NZ LYS A 76 -6.684 -18.282 -7.014 1.00 0.51 N ATOM 0 H LYS A 76 -10.877 -15.036 -2.626 1.00 0.33 H new ATOM 0 HA LYS A 76 -8.532 -16.786 -2.244 1.00 0.34 H new ATOM 0 HB2 LYS A 76 -9.965 -15.256 -4.275 1.00 0.40 H new ATOM 0 HB3 LYS A 76 -8.289 -14.746 -4.280 1.00 0.40 H new ATOM 0 HG2 LYS A 76 -7.809 -17.382 -4.140 1.00 0.46 H new ATOM 0 HG3 LYS A 76 -9.430 -17.506 -4.794 1.00 0.46 H new ATOM 0 HD2 LYS A 76 -8.654 -16.984 -6.871 1.00 0.50 H new ATOM 0 HD3 LYS A 76 -8.069 -15.441 -6.281 1.00 0.50 H new ATOM 0 HE2 LYS A 76 -5.961 -16.285 -6.749 1.00 0.44 H new ATOM 0 HE3 LYS A 76 -6.141 -17.186 -5.257 1.00 0.44 H new ATOM 0 HZ1 LYS A 76 -5.734 -18.684 -7.142 1.00 0.51 H new ATOM 0 HZ2 LYS A 76 -7.280 -18.961 -6.499 1.00 0.51 H new ATOM 0 HZ3 LYS A 76 -7.106 -18.087 -7.944 1.00 0.51 H new ATOM 942 N ALA A 77 -8.303 -13.554 -1.693 1.00 0.29 N ATOM 943 CA ALA A 77 -7.406 -12.544 -1.050 1.00 0.27 C ATOM 944 C ALA A 77 -7.120 -12.954 0.393 1.00 0.24 C ATOM 945 O ALA A 77 -5.979 -13.065 0.802 1.00 0.28 O ATOM 946 CB ALA A 77 -8.184 -11.227 -1.078 1.00 0.29 C ATOM 0 H ALA A 77 -9.206 -13.195 -2.004 1.00 0.29 H new ATOM 0 HA ALA A 77 -6.450 -12.458 -1.566 1.00 0.27 H new ATOM 0 HB1 ALA A 77 -7.584 -10.440 -0.621 1.00 0.29 H new ATOM 0 HB2 ALA A 77 -8.408 -10.959 -2.110 1.00 0.29 H new ATOM 0 HB3 ALA A 77 -9.115 -11.342 -0.523 1.00 0.29 H new ATOM 952 N ILE A 78 -8.153 -13.184 1.165 1.00 0.22 N ATOM 953 CA ILE A 78 -7.953 -13.595 2.585 1.00 0.23 C ATOM 954 C ILE A 78 -7.143 -14.895 2.634 1.00 0.24 C ATOM 955 O ILE A 78 -6.252 -15.044 3.450 1.00 0.29 O ATOM 956 CB ILE A 78 -9.363 -13.786 3.154 1.00 0.24 C ATOM 957 CG1 ILE A 78 -10.103 -12.442 3.128 1.00 0.24 C ATOM 958 CG2 ILE A 78 -9.270 -14.286 4.598 1.00 0.30 C ATOM 959 CD1 ILE A 78 -11.612 -12.673 2.990 1.00 0.29 C ATOM 0 H ILE A 78 -9.126 -13.104 0.871 1.00 0.22 H new ATOM 0 HA ILE A 78 -7.397 -12.858 3.165 1.00 0.23 H new ATOM 0 HB ILE A 78 -9.904 -14.517 2.552 1.00 0.24 H new ATOM 0 HG12 ILE A 78 -9.895 -11.886 4.042 1.00 0.24 H new ATOM 0 HG13 ILE A 78 -9.743 -11.836 2.297 1.00 0.24 H new ATOM 0 HG21 ILE A 78 -10.273 -14.421 5.001 1.00 0.30 H new ATOM 0 HG22 ILE A 78 -8.739 -15.237 4.620 1.00 0.30 H new ATOM 0 HG23 ILE A 78 -8.732 -13.556 5.202 1.00 0.30 H new ATOM 0 HD11 ILE A 78 -12.127 -11.713 2.973 1.00 0.29 H new ATOM 0 HD12 ILE A 78 -11.815 -13.210 2.063 1.00 0.29 H new ATOM 0 HD13 ILE A 78 -11.969 -13.261 3.836 1.00 0.29 H new ATOM 971 N ASN A 79 -7.422 -15.824 1.749 1.00 0.24 N ATOM 972 CA ASN A 79 -6.635 -17.093 1.733 1.00 0.27 C ATOM 973 C ASN A 79 -5.189 -16.758 1.376 1.00 0.27 C ATOM 974 O ASN A 79 -4.255 -17.287 1.949 1.00 0.32 O ATOM 975 CB ASN A 79 -7.266 -17.966 0.647 1.00 0.32 C ATOM 976 CG ASN A 79 -8.227 -18.968 1.292 1.00 0.37 C ATOM 977 OD1 ASN A 79 -7.825 -19.773 2.108 1.00 0.42 O ATOM 978 ND2 ASN A 79 -9.488 -18.953 0.958 1.00 0.47 N ATOM 0 H ASN A 79 -8.155 -15.757 1.043 1.00 0.24 H new ATOM 0 HA ASN A 79 -6.643 -17.607 2.694 1.00 0.27 H new ATOM 0 HB2 ASN A 79 -7.801 -17.343 -0.070 1.00 0.32 H new ATOM 0 HB3 ASN A 79 -6.490 -18.495 0.094 1.00 0.32 H new ATOM 0 HD21 ASN A 79 -10.136 -19.617 1.382 1.00 0.47 H new ATOM 0 HD22 ASN A 79 -9.826 -18.277 0.273 1.00 0.47 H new ATOM 985 N VAL A 80 -5.010 -15.854 0.444 1.00 0.26 N ATOM 986 CA VAL A 80 -3.634 -15.436 0.048 1.00 0.29 C ATOM 987 C VAL A 80 -2.930 -14.865 1.280 1.00 0.27 C ATOM 988 O VAL A 80 -1.797 -15.197 1.574 1.00 0.31 O ATOM 989 CB VAL A 80 -3.849 -14.366 -1.040 1.00 0.33 C ATOM 990 CG1 VAL A 80 -2.912 -13.171 -0.832 1.00 0.32 C ATOM 991 CG2 VAL A 80 -3.576 -14.984 -2.414 1.00 0.47 C ATOM 0 H VAL A 80 -5.763 -15.387 -0.061 1.00 0.26 H new ATOM 0 HA VAL A 80 -3.013 -16.249 -0.329 1.00 0.29 H new ATOM 0 HB VAL A 80 -4.879 -14.013 -0.978 1.00 0.33 H new ATOM 0 HG11 VAL A 80 -3.086 -12.432 -1.614 1.00 0.32 H new ATOM 0 HG12 VAL A 80 -3.106 -12.721 0.142 1.00 0.32 H new ATOM 0 HG13 VAL A 80 -1.877 -13.509 -0.876 1.00 0.32 H new ATOM 0 HG21 VAL A 80 -3.727 -14.231 -3.188 1.00 0.47 H new ATOM 0 HG22 VAL A 80 -2.548 -15.344 -2.453 1.00 0.47 H new ATOM 0 HG23 VAL A 80 -4.259 -15.817 -2.580 1.00 0.47 H new ATOM 1001 N LEU A 81 -3.615 -14.018 2.009 1.00 0.28 N ATOM 1002 CA LEU A 81 -3.016 -13.426 3.240 1.00 0.30 C ATOM 1003 C LEU A 81 -2.644 -14.550 4.206 1.00 0.28 C ATOM 1004 O LEU A 81 -1.671 -14.464 4.931 1.00 0.31 O ATOM 1005 CB LEU A 81 -4.110 -12.534 3.827 1.00 0.36 C ATOM 1006 CG LEU A 81 -3.603 -11.092 3.903 1.00 0.55 C ATOM 1007 CD1 LEU A 81 -4.105 -10.309 2.688 1.00 1.09 C ATOM 1008 CD2 LEU A 81 -4.126 -10.441 5.184 1.00 0.88 C ATOM 0 H LEU A 81 -4.566 -13.712 1.802 1.00 0.28 H new ATOM 0 HA LEU A 81 -2.108 -12.856 3.042 1.00 0.30 H new ATOM 0 HB2 LEU A 81 -5.006 -12.584 3.209 1.00 0.36 H new ATOM 0 HB3 LEU A 81 -4.388 -12.886 4.820 1.00 0.36 H new ATOM 0 HG LEU A 81 -2.513 -11.087 3.910 1.00 0.55 H new ATOM 0 HD11 LEU A 81 -3.744 -9.282 2.742 1.00 1.09 H new ATOM 0 HD12 LEU A 81 -3.734 -10.776 1.776 1.00 1.09 H new ATOM 0 HD13 LEU A 81 -5.195 -10.310 2.679 1.00 1.09 H new ATOM 0 HD21 LEU A 81 -3.767 -9.413 5.243 1.00 0.88 H new ATOM 0 HD22 LEU A 81 -5.216 -10.445 5.175 1.00 0.88 H new ATOM 0 HD23 LEU A 81 -3.768 -11.000 6.049 1.00 0.88 H new ATOM 1020 N ARG A 82 -3.402 -15.618 4.194 1.00 0.29 N ATOM 1021 CA ARG A 82 -3.085 -16.771 5.082 1.00 0.31 C ATOM 1022 C ARG A 82 -1.810 -17.439 4.570 1.00 0.30 C ATOM 1023 O ARG A 82 -0.961 -17.858 5.335 1.00 0.34 O ATOM 1024 CB ARG A 82 -4.282 -17.716 4.961 1.00 0.35 C ATOM 1025 CG ARG A 82 -4.488 -18.457 6.286 1.00 0.43 C ATOM 1026 CD ARG A 82 -5.708 -17.883 7.012 1.00 0.45 C ATOM 1027 NE ARG A 82 -6.803 -18.858 6.752 1.00 0.49 N ATOM 1028 CZ ARG A 82 -7.391 -18.885 5.587 1.00 0.50 C ATOM 1029 NH1 ARG A 82 -8.288 -17.985 5.288 1.00 0.57 N ATOM 1030 NH2 ARG A 82 -7.083 -19.812 4.722 1.00 0.60 N ATOM 0 H ARG A 82 -4.227 -15.738 3.606 1.00 0.29 H new ATOM 0 HA ARG A 82 -2.920 -16.482 6.120 1.00 0.31 H new ATOM 0 HB2 ARG A 82 -5.179 -17.152 4.705 1.00 0.35 H new ATOM 0 HB3 ARG A 82 -4.114 -18.431 4.155 1.00 0.35 H new ATOM 0 HG2 ARG A 82 -4.630 -19.522 6.100 1.00 0.43 H new ATOM 0 HG3 ARG A 82 -3.601 -18.358 6.911 1.00 0.43 H new ATOM 0 HD2 ARG A 82 -5.518 -17.778 8.080 1.00 0.45 H new ATOM 0 HD3 ARG A 82 -5.963 -16.893 6.634 1.00 0.45 H new ATOM 0 HE ARG A 82 -7.094 -19.505 7.485 1.00 0.49 H new ATOM 0 HH11 ARG A 82 -8.529 -17.261 5.965 1.00 0.57 H new ATOM 0 HH12 ARG A 82 -8.748 -18.006 4.378 1.00 0.57 H new ATOM 0 HH21 ARG A 82 -6.383 -20.516 4.956 1.00 0.60 H new ATOM 0 HH22 ARG A 82 -7.543 -19.833 3.812 1.00 0.60 H new ATOM 1044 N GLY A 83 -1.668 -17.515 3.269 1.00 0.31 N ATOM 1045 CA GLY A 83 -0.446 -18.126 2.677 1.00 0.34 C ATOM 1046 C GLY A 83 0.751 -17.245 3.028 1.00 0.34 C ATOM 1047 O GLY A 83 1.849 -17.727 3.235 1.00 0.38 O ATOM 0 H GLY A 83 -2.352 -17.177 2.592 1.00 0.31 H new ATOM 0 HA2 GLY A 83 -0.301 -19.135 3.064 1.00 0.34 H new ATOM 0 HA3 GLY A 83 -0.550 -18.211 1.595 1.00 0.34 H new ATOM 1051 N PHE A 84 0.537 -15.954 3.116 1.00 0.35 N ATOM 1052 CA PHE A 84 1.649 -15.030 3.477 1.00 0.36 C ATOM 1053 C PHE A 84 2.052 -15.292 4.927 1.00 0.35 C ATOM 1054 O PHE A 84 3.220 -15.303 5.266 1.00 0.38 O ATOM 1055 CB PHE A 84 1.073 -13.620 3.321 1.00 0.40 C ATOM 1056 CG PHE A 84 1.191 -13.173 1.890 1.00 0.41 C ATOM 1057 CD1 PHE A 84 2.422 -13.245 1.230 1.00 0.99 C ATOM 1058 CD2 PHE A 84 0.066 -12.677 1.223 1.00 1.01 C ATOM 1059 CE1 PHE A 84 2.526 -12.819 -0.096 1.00 1.06 C ATOM 1060 CE2 PHE A 84 0.171 -12.253 -0.101 1.00 1.10 C ATOM 1061 CZ PHE A 84 1.399 -12.323 -0.759 1.00 0.72 C ATOM 0 H PHE A 84 -0.363 -15.503 2.952 1.00 0.35 H new ATOM 0 HA PHE A 84 2.533 -15.163 2.854 1.00 0.36 H new ATOM 0 HB2 PHE A 84 0.028 -13.609 3.629 1.00 0.40 H new ATOM 0 HB3 PHE A 84 1.605 -12.927 3.973 1.00 0.40 H new ATOM 0 HD1 PHE A 84 3.290 -13.629 1.745 1.00 0.99 H new ATOM 0 HD2 PHE A 84 -0.884 -12.622 1.734 1.00 1.01 H new ATOM 0 HE1 PHE A 84 3.475 -12.873 -0.608 1.00 1.06 H new ATOM 0 HE2 PHE A 84 -0.698 -11.871 -0.617 1.00 1.10 H new ATOM 0 HZ PHE A 84 1.480 -11.993 -1.784 1.00 0.72 H new ATOM 1071 N ARG A 85 1.083 -15.526 5.779 1.00 0.35 N ATOM 1072 CA ARG A 85 1.392 -15.817 7.209 1.00 0.37 C ATOM 1073 C ARG A 85 2.223 -17.096 7.285 1.00 0.36 C ATOM 1074 O ARG A 85 3.122 -17.220 8.094 1.00 0.38 O ATOM 1075 CB ARG A 85 0.034 -16.011 7.886 1.00 0.42 C ATOM 1076 CG ARG A 85 0.193 -15.868 9.401 1.00 0.60 C ATOM 1077 CD ARG A 85 -0.826 -16.764 10.109 1.00 0.61 C ATOM 1078 NE ARG A 85 -1.954 -15.857 10.461 1.00 0.64 N ATOM 1079 CZ ARG A 85 -3.185 -16.235 10.250 1.00 0.61 C ATOM 1080 NH1 ARG A 85 -3.821 -16.924 11.158 1.00 0.60 N ATOM 1081 NH2 ARG A 85 -3.781 -15.924 9.132 1.00 0.85 N ATOM 0 H ARG A 85 0.091 -15.527 5.543 1.00 0.35 H new ATOM 0 HA ARG A 85 1.961 -15.022 7.691 1.00 0.37 H new ATOM 0 HB2 ARG A 85 -0.678 -15.275 7.513 1.00 0.42 H new ATOM 0 HB3 ARG A 85 -0.368 -16.995 7.643 1.00 0.42 H new ATOM 0 HG2 ARG A 85 1.205 -16.144 9.699 1.00 0.60 H new ATOM 0 HG3 ARG A 85 0.046 -14.829 9.696 1.00 0.60 H new ATOM 0 HD2 ARG A 85 -1.158 -17.574 9.460 1.00 0.61 H new ATOM 0 HD3 ARG A 85 -0.397 -17.224 10.999 1.00 0.61 H new ATOM 0 HE ARG A 85 -1.764 -14.941 10.867 1.00 0.64 H new ATOM 0 HH11 ARG A 85 -3.356 -17.167 12.033 1.00 0.60 H new ATOM 0 HH12 ARG A 85 -4.783 -17.219 10.993 1.00 0.60 H new ATOM 0 HH21 ARG A 85 -3.285 -15.385 8.422 1.00 0.85 H new ATOM 0 HH22 ARG A 85 -4.743 -16.220 8.968 1.00 0.85 H new ATOM 1095 N LYS A 86 1.937 -18.042 6.426 1.00 0.38 N ATOM 1096 CA LYS A 86 2.719 -19.309 6.419 1.00 0.40 C ATOM 1097 C LYS A 86 4.049 -19.069 5.704 1.00 0.37 C ATOM 1098 O LYS A 86 5.066 -19.640 6.053 1.00 0.38 O ATOM 1099 CB LYS A 86 1.862 -20.314 5.648 1.00 0.47 C ATOM 1100 CG LYS A 86 2.511 -21.698 5.720 1.00 0.58 C ATOM 1101 CD LYS A 86 2.534 -22.179 7.174 1.00 0.64 C ATOM 1102 CE LYS A 86 3.906 -21.890 7.790 1.00 0.59 C ATOM 1103 NZ LYS A 86 4.239 -23.109 8.578 1.00 0.71 N ATOM 0 H LYS A 86 1.194 -17.988 5.729 1.00 0.38 H new ATOM 0 HA LYS A 86 2.943 -19.673 7.422 1.00 0.40 H new ATOM 0 HB2 LYS A 86 0.857 -20.349 6.069 1.00 0.47 H new ATOM 0 HB3 LYS A 86 1.762 -20.001 4.609 1.00 0.47 H new ATOM 0 HG2 LYS A 86 1.956 -22.404 5.102 1.00 0.58 H new ATOM 0 HG3 LYS A 86 3.526 -21.656 5.324 1.00 0.58 H new ATOM 0 HD2 LYS A 86 1.754 -21.676 7.746 1.00 0.64 H new ATOM 0 HD3 LYS A 86 2.323 -23.247 7.217 1.00 0.64 H new ATOM 0 HE2 LYS A 86 4.653 -21.702 7.019 1.00 0.59 H new ATOM 0 HE3 LYS A 86 3.875 -21.005 8.426 1.00 0.59 H new ATOM 0 HZ1 LYS A 86 5.167 -22.987 9.031 1.00 0.71 H new ATOM 0 HZ2 LYS A 86 3.514 -23.259 9.309 1.00 0.71 H new ATOM 0 HZ3 LYS A 86 4.269 -23.934 7.945 1.00 0.71 H new ATOM 1117 N GLU A 87 4.045 -18.209 4.715 1.00 0.36 N ATOM 1118 CA GLU A 87 5.305 -17.901 3.978 1.00 0.36 C ATOM 1119 C GLU A 87 6.262 -17.158 4.910 1.00 0.34 C ATOM 1120 O GLU A 87 7.460 -17.372 4.887 1.00 0.37 O ATOM 1121 CB GLU A 87 4.883 -17.006 2.811 1.00 0.39 C ATOM 1122 CG GLU A 87 4.556 -17.874 1.593 1.00 0.40 C ATOM 1123 CD GLU A 87 4.859 -17.093 0.313 1.00 0.59 C ATOM 1124 OE1 GLU A 87 4.282 -16.032 0.140 1.00 0.91 O ATOM 1125 OE2 GLU A 87 5.661 -17.569 -0.473 1.00 1.00 O ATOM 0 H GLU A 87 3.220 -17.707 4.387 1.00 0.36 H new ATOM 0 HA GLU A 87 5.817 -18.796 3.625 1.00 0.36 H new ATOM 0 HB2 GLU A 87 4.013 -16.411 3.091 1.00 0.39 H new ATOM 0 HB3 GLU A 87 5.683 -16.306 2.568 1.00 0.39 H new ATOM 0 HG2 GLU A 87 5.143 -18.792 1.619 1.00 0.40 H new ATOM 0 HG3 GLU A 87 3.506 -18.167 1.613 1.00 0.40 H new ATOM 1132 N ILE A 88 5.733 -16.300 5.747 1.00 0.33 N ATOM 1133 CA ILE A 88 6.599 -15.556 6.704 1.00 0.33 C ATOM 1134 C ILE A 88 7.098 -16.536 7.773 1.00 0.32 C ATOM 1135 O ILE A 88 8.253 -16.516 8.162 1.00 0.34 O ATOM 1136 CB ILE A 88 5.696 -14.450 7.288 1.00 0.36 C ATOM 1137 CG1 ILE A 88 6.476 -13.131 7.333 1.00 0.38 C ATOM 1138 CG2 ILE A 88 5.228 -14.809 8.703 1.00 0.39 C ATOM 1139 CD1 ILE A 88 6.054 -12.244 6.159 1.00 0.63 C ATOM 0 H ILE A 88 4.738 -16.085 5.806 1.00 0.33 H new ATOM 0 HA ILE A 88 7.484 -15.113 6.248 1.00 0.33 H new ATOM 0 HB ILE A 88 4.818 -14.349 6.650 1.00 0.36 H new ATOM 0 HG12 ILE A 88 6.288 -12.618 8.276 1.00 0.38 H new ATOM 0 HG13 ILE A 88 7.547 -13.328 7.286 1.00 0.38 H new ATOM 0 HG21 ILE A 88 4.593 -14.012 9.090 1.00 0.39 H new ATOM 0 HG22 ILE A 88 4.663 -15.741 8.674 1.00 0.39 H new ATOM 0 HG23 ILE A 88 6.095 -14.930 9.353 1.00 0.39 H new ATOM 0 HD11 ILE A 88 6.610 -11.307 6.193 1.00 0.63 H new ATOM 0 HD12 ILE A 88 6.265 -12.757 5.221 1.00 0.63 H new ATOM 0 HD13 ILE A 88 4.986 -12.035 6.226 1.00 0.63 H new ATOM 1151 N GLY A 89 6.237 -17.420 8.221 1.00 0.34 N ATOM 1152 CA GLY A 89 6.656 -18.432 9.234 1.00 0.36 C ATOM 1153 C GLY A 89 7.771 -19.276 8.621 1.00 0.34 C ATOM 1154 O GLY A 89 8.704 -19.685 9.288 1.00 0.37 O ATOM 0 H GLY A 89 5.262 -17.481 7.926 1.00 0.34 H new ATOM 0 HA2 GLY A 89 7.005 -17.941 10.142 1.00 0.36 H new ATOM 0 HA3 GLY A 89 5.812 -19.062 9.516 1.00 0.36 H new ATOM 1158 N ARG A 90 7.684 -19.515 7.338 1.00 0.34 N ATOM 1159 CA ARG A 90 8.739 -20.306 6.651 1.00 0.34 C ATOM 1160 C ARG A 90 10.033 -19.496 6.624 1.00 0.31 C ATOM 1161 O ARG A 90 11.112 -20.038 6.775 1.00 0.34 O ATOM 1162 CB ARG A 90 8.220 -20.524 5.230 1.00 0.38 C ATOM 1163 CG ARG A 90 7.338 -21.771 5.188 1.00 0.41 C ATOM 1164 CD ARG A 90 6.655 -21.857 3.823 1.00 0.55 C ATOM 1165 NE ARG A 90 5.984 -23.187 3.808 1.00 0.97 N ATOM 1166 CZ ARG A 90 5.414 -23.618 2.717 1.00 1.30 C ATOM 1167 NH1 ARG A 90 6.122 -23.788 1.634 1.00 1.73 N ATOM 1168 NH2 ARG A 90 4.135 -23.879 2.709 1.00 1.84 N ATOM 0 H ARG A 90 6.924 -19.194 6.738 1.00 0.34 H new ATOM 0 HA ARG A 90 8.946 -21.252 7.150 1.00 0.34 H new ATOM 0 HB2 ARG A 90 7.651 -19.654 4.903 1.00 0.38 H new ATOM 0 HB3 ARG A 90 9.057 -20.635 4.540 1.00 0.38 H new ATOM 0 HG2 ARG A 90 7.940 -22.663 5.364 1.00 0.41 H new ATOM 0 HG3 ARG A 90 6.590 -21.729 5.980 1.00 0.41 H new ATOM 0 HD2 ARG A 90 5.934 -21.050 3.691 1.00 0.55 H new ATOM 0 HD3 ARG A 90 7.380 -21.772 3.013 1.00 0.55 H new ATOM 0 HE ARG A 90 5.970 -23.761 4.651 1.00 0.97 H new ATOM 0 HH11 ARG A 90 7.121 -23.584 1.641 1.00 1.73 H new ATOM 0 HH12 ARG A 90 5.676 -24.125 0.781 1.00 1.73 H new ATOM 0 HH21 ARG A 90 3.582 -23.746 3.556 1.00 1.84 H new ATOM 0 HH22 ARG A 90 3.689 -24.216 1.856 1.00 1.84 H new ATOM 1182 N MET A 91 9.923 -18.192 6.461 1.00 0.29 N ATOM 1183 CA MET A 91 11.140 -17.328 6.442 1.00 0.28 C ATOM 1184 C MET A 91 11.884 -17.527 7.752 1.00 0.27 C ATOM 1185 O MET A 91 13.096 -17.629 7.789 1.00 0.30 O ATOM 1186 CB MET A 91 10.625 -15.890 6.313 1.00 0.31 C ATOM 1187 CG MET A 91 11.443 -15.148 5.254 1.00 0.44 C ATOM 1188 SD MET A 91 10.886 -13.428 5.157 1.00 0.56 S ATOM 1189 CE MET A 91 9.337 -13.739 4.275 1.00 1.17 C ATOM 0 H MET A 91 9.040 -17.696 6.341 1.00 0.29 H new ATOM 0 HA MET A 91 11.823 -17.564 5.626 1.00 0.28 H new ATOM 0 HB2 MET A 91 9.571 -15.893 6.037 1.00 0.31 H new ATOM 0 HB3 MET A 91 10.702 -15.378 7.272 1.00 0.31 H new ATOM 0 HG2 MET A 91 12.503 -15.185 5.506 1.00 0.44 H new ATOM 0 HG3 MET A 91 11.329 -15.634 4.285 1.00 0.44 H new ATOM 0 HE1 MET A 91 9.427 -13.388 3.247 1.00 1.17 H new ATOM 0 HE2 MET A 91 9.126 -14.808 4.276 1.00 1.17 H new ATOM 0 HE3 MET A 91 8.524 -13.208 4.770 1.00 1.17 H new ATOM 1199 N LEU A 92 11.146 -17.623 8.825 1.00 0.28 N ATOM 1200 CA LEU A 92 11.777 -17.860 10.148 1.00 0.28 C ATOM 1201 C LEU A 92 12.478 -19.204 10.111 1.00 0.30 C ATOM 1202 O LEU A 92 13.601 -19.338 10.558 1.00 0.33 O ATOM 1203 CB LEU A 92 10.626 -17.848 11.134 1.00 0.31 C ATOM 1204 CG LEU A 92 10.039 -16.447 11.126 1.00 0.32 C ATOM 1205 CD1 LEU A 92 8.540 -16.509 11.434 1.00 0.41 C ATOM 1206 CD2 LEU A 92 10.749 -15.588 12.177 1.00 0.36 C ATOM 0 H LEU A 92 10.129 -17.547 8.839 1.00 0.28 H new ATOM 0 HA LEU A 92 12.525 -17.116 10.422 1.00 0.28 H new ATOM 0 HB2 LEU A 92 9.871 -18.582 10.853 1.00 0.31 H new ATOM 0 HB3 LEU A 92 10.973 -18.114 12.133 1.00 0.31 H new ATOM 0 HG LEU A 92 10.181 -16.003 10.141 1.00 0.32 H new ATOM 0 HD11 LEU A 92 8.125 -15.501 11.427 1.00 0.41 H new ATOM 0 HD12 LEU A 92 8.038 -17.113 10.679 1.00 0.41 H new ATOM 0 HD13 LEU A 92 8.389 -16.957 12.416 1.00 0.41 H new ATOM 0 HD21 LEU A 92 10.327 -14.583 12.171 1.00 0.36 H new ATOM 0 HD22 LEU A 92 10.613 -16.033 13.163 1.00 0.36 H new ATOM 0 HD23 LEU A 92 11.813 -15.536 11.946 1.00 0.36 H new ATOM 1218 N ASN A 93 11.838 -20.190 9.530 1.00 0.32 N ATOM 1219 CA ASN A 93 12.491 -21.522 9.404 1.00 0.35 C ATOM 1220 C ASN A 93 13.827 -21.327 8.682 1.00 0.33 C ATOM 1221 O ASN A 93 14.758 -22.090 8.852 1.00 0.39 O ATOM 1222 CB ASN A 93 11.535 -22.375 8.565 1.00 0.41 C ATOM 1223 CG ASN A 93 11.281 -23.708 9.274 1.00 0.47 C ATOM 1224 OD1 ASN A 93 12.048 -24.640 9.133 1.00 0.81 O ATOM 1225 ND2 ASN A 93 10.230 -23.837 10.035 1.00 0.77 N ATOM 0 H ASN A 93 10.897 -20.127 9.141 1.00 0.32 H new ATOM 0 HA ASN A 93 12.686 -22.000 10.364 1.00 0.35 H new ATOM 0 HB2 ASN A 93 10.594 -21.845 8.416 1.00 0.41 H new ATOM 0 HB3 ASN A 93 11.961 -22.552 7.577 1.00 0.41 H new ATOM 0 HD21 ASN A 93 10.051 -24.721 10.512 1.00 0.77 H new ATOM 0 HD22 ASN A 93 9.587 -23.054 10.153 1.00 0.77 H new ATOM 1232 N ILE A 94 13.922 -20.278 7.889 1.00 0.31 N ATOM 1233 CA ILE A 94 15.198 -19.995 7.167 1.00 0.32 C ATOM 1234 C ILE A 94 16.134 -19.172 8.058 1.00 0.30 C ATOM 1235 O ILE A 94 17.332 -19.383 8.050 1.00 0.36 O ATOM 1236 CB ILE A 94 14.841 -19.179 5.911 1.00 0.34 C ATOM 1237 CG1 ILE A 94 13.486 -19.626 5.347 1.00 0.38 C ATOM 1238 CG2 ILE A 94 15.931 -19.385 4.854 1.00 0.39 C ATOM 1239 CD1 ILE A 94 13.307 -19.112 3.913 1.00 0.54 C ATOM 0 H ILE A 94 13.170 -19.611 7.715 1.00 0.31 H new ATOM 0 HA ILE A 94 15.702 -20.925 6.903 1.00 0.32 H new ATOM 0 HB ILE A 94 14.775 -18.124 6.178 1.00 0.34 H new ATOM 0 HG12 ILE A 94 13.420 -20.714 5.361 1.00 0.38 H new ATOM 0 HG13 ILE A 94 12.681 -19.250 5.978 1.00 0.38 H new ATOM 0 HG21 ILE A 94 15.685 -18.810 3.961 1.00 0.39 H new ATOM 0 HG22 ILE A 94 16.890 -19.049 5.250 1.00 0.39 H new ATOM 0 HG23 ILE A 94 15.995 -20.443 4.598 1.00 0.39 H new ATOM 0 HD11 ILE A 94 12.341 -19.438 3.528 1.00 0.54 H new ATOM 0 HD12 ILE A 94 13.351 -18.023 3.909 1.00 0.54 H new ATOM 0 HD13 ILE A 94 14.102 -19.510 3.282 1.00 0.54 H new ATOM 1251 N LEU A 95 15.616 -18.222 8.815 1.00 0.27 N ATOM 1252 CA LEU A 95 16.536 -17.401 9.671 1.00 0.26 C ATOM 1253 C LEU A 95 16.665 -17.988 11.082 1.00 0.29 C ATOM 1254 O LEU A 95 17.202 -17.356 11.972 1.00 0.35 O ATOM 1255 CB LEU A 95 15.946 -15.986 9.707 1.00 0.26 C ATOM 1256 CG LEU A 95 14.507 -16.024 10.214 1.00 0.29 C ATOM 1257 CD1 LEU A 95 14.437 -15.420 11.618 1.00 0.40 C ATOM 1258 CD2 LEU A 95 13.614 -15.219 9.263 1.00 0.33 C ATOM 0 H LEU A 95 14.625 -17.987 8.875 1.00 0.27 H new ATOM 0 HA LEU A 95 17.545 -17.393 9.259 1.00 0.26 H new ATOM 0 HB2 LEU A 95 16.550 -15.349 10.354 1.00 0.26 H new ATOM 0 HB3 LEU A 95 15.976 -15.547 8.710 1.00 0.26 H new ATOM 0 HG LEU A 95 14.163 -17.058 10.252 1.00 0.29 H new ATOM 0 HD11 LEU A 95 13.408 -15.449 11.976 1.00 0.40 H new ATOM 0 HD12 LEU A 95 15.072 -15.994 12.293 1.00 0.40 H new ATOM 0 HD13 LEU A 95 14.781 -14.386 11.587 1.00 0.40 H new ATOM 0 HD21 LEU A 95 12.585 -15.244 9.622 1.00 0.33 H new ATOM 0 HD22 LEU A 95 13.960 -14.186 9.225 1.00 0.33 H new ATOM 0 HD23 LEU A 95 13.661 -15.654 8.265 1.00 0.33 H new ATOM 1270 N ASN A 96 16.203 -19.199 11.287 1.00 0.30 N ATOM 1271 CA ASN A 96 16.327 -19.837 12.636 1.00 0.35 C ATOM 1272 C ASN A 96 17.233 -21.071 12.551 1.00 0.36 C ATOM 1273 O ASN A 96 17.705 -21.573 13.553 1.00 0.39 O ATOM 1274 CB ASN A 96 14.907 -20.243 13.031 1.00 0.42 C ATOM 1275 CG ASN A 96 14.151 -19.013 13.535 1.00 0.48 C ATOM 1276 OD1 ASN A 96 12.915 -18.828 13.166 1.00 0.58 O flip ATOM 1277 ND2 ASN A 96 14.690 -18.214 14.275 1.00 0.58 N flip ATOM 0 H ASN A 96 15.746 -19.773 10.578 1.00 0.30 H new ATOM 0 HA ASN A 96 16.768 -19.161 13.368 1.00 0.35 H new ATOM 0 HB2 ASN A 96 14.389 -20.677 12.176 1.00 0.42 H new ATOM 0 HB3 ASN A 96 14.938 -21.008 13.807 1.00 0.42 H new ATOM 0 HD21 ASN A 96 15.657 -18.359 14.564 1.00 0.58 H new ATOM 0 HD22 ASN A 96 14.175 -17.399 14.607 1.00 0.58 H new ATOM 1738 N PRO B 43 12.199 0.588 12.141 1.00 0.34 N ATOM 1739 CA PRO B 43 11.449 -0.543 11.568 1.00 0.32 C ATOM 1740 C PRO B 43 12.399 -1.596 10.986 1.00 0.27 C ATOM 1741 O PRO B 43 12.299 -2.768 11.292 1.00 0.31 O ATOM 1742 CB PRO B 43 10.630 0.116 10.465 1.00 0.36 C ATOM 1743 CG PRO B 43 11.386 1.355 10.075 1.00 0.40 C ATOM 1744 CD PRO B 43 12.427 1.632 11.138 1.00 0.40 C ATOM 0 HA PRO B 43 10.841 -1.071 12.303 1.00 0.32 H new ATOM 0 HB2 PRO B 43 10.512 -0.554 9.613 1.00 0.36 H new ATOM 0 HB3 PRO B 43 9.629 0.364 10.817 1.00 0.36 H new ATOM 0 HG2 PRO B 43 11.862 1.219 9.104 1.00 0.40 H new ATOM 0 HG3 PRO B 43 10.705 2.201 9.981 1.00 0.40 H new ATOM 0 HD2 PRO B 43 13.437 1.580 10.731 1.00 0.40 H new ATOM 0 HD3 PRO B 43 12.306 2.628 11.564 1.00 0.40 H new ATOM 1752 N LEU B 44 13.306 -1.181 10.134 1.00 0.26 N ATOM 1753 CA LEU B 44 14.266 -2.138 9.501 1.00 0.24 C ATOM 1754 C LEU B 44 13.515 -3.231 8.732 1.00 0.22 C ATOM 1755 O LEU B 44 14.086 -4.242 8.366 1.00 0.28 O ATOM 1756 CB LEU B 44 15.079 -2.745 10.647 1.00 0.28 C ATOM 1757 CG LEU B 44 16.236 -3.566 10.066 1.00 0.33 C ATOM 1758 CD1 LEU B 44 17.558 -3.106 10.684 1.00 0.51 C ATOM 1759 CD2 LEU B 44 16.021 -5.050 10.377 1.00 0.53 C ATOM 0 H LEU B 44 13.422 -0.209 9.848 1.00 0.26 H new ATOM 0 HA LEU B 44 14.911 -1.633 8.781 1.00 0.24 H new ATOM 0 HB2 LEU B 44 15.465 -1.956 11.292 1.00 0.28 H new ATOM 0 HB3 LEU B 44 14.442 -3.378 11.265 1.00 0.28 H new ATOM 0 HG LEU B 44 16.270 -3.420 8.986 1.00 0.33 H new ATOM 0 HD11 LEU B 44 18.377 -3.692 10.268 1.00 0.51 H new ATOM 0 HD12 LEU B 44 17.717 -2.051 10.460 1.00 0.51 H new ATOM 0 HD13 LEU B 44 17.523 -3.247 11.764 1.00 0.51 H new ATOM 0 HD21 LEU B 44 16.845 -5.632 9.963 1.00 0.53 H new ATOM 0 HD22 LEU B 44 15.982 -5.194 11.457 1.00 0.53 H new ATOM 0 HD23 LEU B 44 15.083 -5.383 9.933 1.00 0.53 H new ATOM 1771 N LYS B 45 12.248 -3.030 8.463 1.00 0.24 N ATOM 1772 CA LYS B 45 11.476 -4.051 7.695 1.00 0.24 C ATOM 1773 C LYS B 45 11.772 -3.879 6.204 1.00 0.24 C ATOM 1774 O LYS B 45 11.726 -4.820 5.445 1.00 0.29 O ATOM 1775 CB LYS B 45 9.998 -3.782 8.004 1.00 0.28 C ATOM 1776 CG LYS B 45 9.631 -2.346 7.622 1.00 0.34 C ATOM 1777 CD LYS B 45 8.116 -2.238 7.435 1.00 0.35 C ATOM 1778 CE LYS B 45 7.422 -2.383 8.791 1.00 0.35 C ATOM 1779 NZ LYS B 45 5.966 -2.318 8.486 1.00 0.61 N ATOM 0 H LYS B 45 11.718 -2.205 8.742 1.00 0.24 H new ATOM 0 HA LYS B 45 11.742 -5.072 7.967 1.00 0.24 H new ATOM 0 HB2 LYS B 45 9.371 -4.484 7.455 1.00 0.28 H new ATOM 0 HB3 LYS B 45 9.805 -3.945 9.064 1.00 0.28 H new ATOM 0 HG2 LYS B 45 9.962 -1.656 8.398 1.00 0.34 H new ATOM 0 HG3 LYS B 45 10.143 -2.061 6.703 1.00 0.34 H new ATOM 0 HD2 LYS B 45 7.862 -1.278 6.986 1.00 0.35 H new ATOM 0 HD3 LYS B 45 7.767 -3.012 6.752 1.00 0.35 H new ATOM 0 HE2 LYS B 45 7.683 -3.327 9.270 1.00 0.35 H new ATOM 0 HE3 LYS B 45 7.718 -1.587 9.474 1.00 0.35 H new ATOM 0 HZ1 LYS B 45 5.483 -1.759 9.218 1.00 0.61 H new ATOM 0 HZ2 LYS B 45 5.825 -1.869 7.559 1.00 0.61 H new ATOM 0 HZ3 LYS B 45 5.572 -3.280 8.468 1.00 0.61 H new ATOM 1793 N LEU B 46 12.084 -2.668 5.802 1.00 0.23 N ATOM 1794 CA LEU B 46 12.413 -2.363 4.369 1.00 0.26 C ATOM 1795 C LEU B 46 13.159 -3.529 3.693 1.00 0.26 C ATOM 1796 O LEU B 46 12.905 -3.857 2.547 1.00 0.31 O ATOM 1797 CB LEU B 46 13.334 -1.134 4.455 1.00 0.29 C ATOM 1798 CG LEU B 46 12.775 0.019 3.614 1.00 0.38 C ATOM 1799 CD1 LEU B 46 12.619 -0.421 2.154 1.00 0.46 C ATOM 1800 CD2 LEU B 46 11.416 0.445 4.174 1.00 0.44 C ATOM 0 H LEU B 46 12.125 -1.859 6.422 1.00 0.23 H new ATOM 0 HA LEU B 46 11.515 -2.196 3.775 1.00 0.26 H new ATOM 0 HB2 LEU B 46 13.433 -0.819 5.494 1.00 0.29 H new ATOM 0 HB3 LEU B 46 14.332 -1.396 4.105 1.00 0.29 H new ATOM 0 HG LEU B 46 13.466 0.861 3.656 1.00 0.38 H new ATOM 0 HD11 LEU B 46 12.221 0.406 1.565 1.00 0.46 H new ATOM 0 HD12 LEU B 46 13.591 -0.715 1.757 1.00 0.46 H new ATOM 0 HD13 LEU B 46 11.934 -1.267 2.100 1.00 0.46 H new ATOM 0 HD21 LEU B 46 11.017 1.265 3.577 1.00 0.44 H new ATOM 0 HD22 LEU B 46 10.727 -0.399 4.138 1.00 0.44 H new ATOM 0 HD23 LEU B 46 11.535 0.773 5.207 1.00 0.44 H new ATOM 1812 N PHE B 47 14.069 -4.157 4.399 1.00 0.25 N ATOM 1813 CA PHE B 47 14.834 -5.297 3.811 1.00 0.27 C ATOM 1814 C PHE B 47 13.972 -6.555 3.847 1.00 0.25 C ATOM 1815 O PHE B 47 13.836 -7.259 2.864 1.00 0.30 O ATOM 1816 CB PHE B 47 16.074 -5.435 4.710 1.00 0.31 C ATOM 1817 CG PHE B 47 16.557 -6.871 4.748 1.00 0.32 C ATOM 1818 CD1 PHE B 47 16.736 -7.586 3.557 1.00 0.41 C ATOM 1819 CD2 PHE B 47 16.830 -7.482 5.978 1.00 0.38 C ATOM 1820 CE1 PHE B 47 17.186 -8.912 3.599 1.00 0.51 C ATOM 1821 CE2 PHE B 47 17.280 -8.807 6.019 1.00 0.48 C ATOM 1822 CZ PHE B 47 17.458 -9.522 4.829 1.00 0.53 C ATOM 0 H PHE B 47 14.314 -3.926 5.362 1.00 0.25 H new ATOM 0 HA PHE B 47 15.116 -5.140 2.770 1.00 0.27 H new ATOM 0 HB2 PHE B 47 16.870 -4.789 4.340 1.00 0.31 H new ATOM 0 HB3 PHE B 47 15.835 -5.100 5.720 1.00 0.31 H new ATOM 0 HD1 PHE B 47 16.527 -7.116 2.607 1.00 0.41 H new ATOM 0 HD2 PHE B 47 16.693 -6.930 6.896 1.00 0.38 H new ATOM 0 HE1 PHE B 47 17.323 -9.464 2.681 1.00 0.51 H new ATOM 0 HE2 PHE B 47 17.490 -9.277 6.968 1.00 0.48 H new ATOM 0 HZ PHE B 47 17.805 -10.544 4.860 1.00 0.53 H new ATOM 1832 N MET B 48 13.387 -6.829 4.977 1.00 0.26 N ATOM 1833 CA MET B 48 12.520 -8.031 5.105 1.00 0.27 C ATOM 1834 C MET B 48 11.364 -7.948 4.108 1.00 0.27 C ATOM 1835 O MET B 48 11.091 -8.882 3.386 1.00 0.33 O ATOM 1836 CB MET B 48 11.995 -7.983 6.540 1.00 0.31 C ATOM 1837 CG MET B 48 12.081 -9.376 7.158 1.00 0.41 C ATOM 1838 SD MET B 48 13.274 -9.374 8.519 1.00 0.46 S ATOM 1839 CE MET B 48 14.711 -8.860 7.549 1.00 0.41 C ATOM 0 H MET B 48 13.473 -6.268 5.824 1.00 0.26 H new ATOM 0 HA MET B 48 13.056 -8.957 4.897 1.00 0.27 H new ATOM 0 HB2 MET B 48 12.578 -7.275 7.129 1.00 0.31 H new ATOM 0 HB3 MET B 48 10.963 -7.632 6.550 1.00 0.31 H new ATOM 0 HG2 MET B 48 11.101 -9.683 7.523 1.00 0.41 H new ATOM 0 HG3 MET B 48 12.381 -10.101 6.401 1.00 0.41 H new ATOM 0 HE1 MET B 48 15.620 -9.234 8.019 1.00 0.41 H new ATOM 0 HE2 MET B 48 14.632 -9.264 6.540 1.00 0.41 H new ATOM 0 HE3 MET B 48 14.748 -7.772 7.502 1.00 0.41 H new ATOM 1849 N ALA B 49 10.689 -6.829 4.074 1.00 0.27 N ATOM 1850 CA ALA B 49 9.541 -6.656 3.134 1.00 0.32 C ATOM 1851 C ALA B 49 10.001 -6.825 1.684 1.00 0.31 C ATOM 1852 O ALA B 49 9.381 -7.532 0.911 1.00 0.36 O ATOM 1853 CB ALA B 49 9.045 -5.230 3.376 1.00 0.38 C ATOM 0 H ALA B 49 10.886 -6.020 4.663 1.00 0.27 H new ATOM 0 HA ALA B 49 8.760 -7.397 3.302 1.00 0.32 H new ATOM 0 HB1 ALA B 49 8.199 -5.023 2.721 1.00 0.38 H new ATOM 0 HB2 ALA B 49 8.734 -5.124 4.415 1.00 0.38 H new ATOM 0 HB3 ALA B 49 9.848 -4.524 3.164 1.00 0.38 H new ATOM 1859 N LEU B 50 11.076 -6.178 1.303 1.00 0.30 N ATOM 1860 CA LEU B 50 11.560 -6.306 -0.106 1.00 0.33 C ATOM 1861 C LEU B 50 11.869 -7.771 -0.431 1.00 0.31 C ATOM 1862 O LEU B 50 11.271 -8.356 -1.318 1.00 0.34 O ATOM 1863 CB LEU B 50 12.832 -5.459 -0.176 1.00 0.37 C ATOM 1864 CG LEU B 50 13.163 -5.151 -1.638 1.00 0.50 C ATOM 1865 CD1 LEU B 50 12.014 -4.363 -2.272 1.00 0.85 C ATOM 1866 CD2 LEU B 50 14.446 -4.320 -1.703 1.00 0.50 C ATOM 0 H LEU B 50 11.635 -5.571 1.902 1.00 0.30 H new ATOM 0 HA LEU B 50 10.813 -5.972 -0.826 1.00 0.33 H new ATOM 0 HB2 LEU B 50 12.694 -4.531 0.380 1.00 0.37 H new ATOM 0 HB3 LEU B 50 13.661 -5.990 0.291 1.00 0.37 H new ATOM 0 HG LEU B 50 13.303 -6.085 -2.182 1.00 0.50 H new ATOM 0 HD11 LEU B 50 12.253 -4.145 -3.313 1.00 0.85 H new ATOM 0 HD12 LEU B 50 11.099 -4.953 -2.226 1.00 0.85 H new ATOM 0 HD13 LEU B 50 11.871 -3.428 -1.730 1.00 0.85 H new ATOM 0 HD21 LEU B 50 14.684 -4.099 -2.743 1.00 0.50 H new ATOM 0 HD22 LEU B 50 14.303 -3.387 -1.158 1.00 0.50 H new ATOM 0 HD23 LEU B 50 15.266 -4.881 -1.254 1.00 0.50 H new ATOM 1878 N VAL B 51 12.793 -8.368 0.281 1.00 0.30 N ATOM 1879 CA VAL B 51 13.138 -9.791 0.017 1.00 0.31 C ATOM 1880 C VAL B 51 11.901 -10.674 0.227 1.00 0.29 C ATOM 1881 O VAL B 51 11.756 -11.699 -0.408 1.00 0.33 O ATOM 1882 CB VAL B 51 14.258 -10.114 1.015 1.00 0.33 C ATOM 1883 CG1 VAL B 51 14.477 -11.622 1.087 1.00 0.46 C ATOM 1884 CG2 VAL B 51 15.553 -9.434 0.554 1.00 0.49 C ATOM 0 H VAL B 51 13.322 -7.927 1.034 1.00 0.30 H new ATOM 0 HA VAL B 51 13.465 -9.972 -1.007 1.00 0.31 H new ATOM 0 HB VAL B 51 13.976 -9.748 2.002 1.00 0.33 H new ATOM 0 HG11 VAL B 51 15.274 -11.840 1.798 1.00 0.46 H new ATOM 0 HG12 VAL B 51 13.557 -12.108 1.412 1.00 0.46 H new ATOM 0 HG13 VAL B 51 14.757 -11.996 0.102 1.00 0.46 H new ATOM 0 HG21 VAL B 51 16.353 -9.659 1.259 1.00 0.49 H new ATOM 0 HG22 VAL B 51 15.826 -9.803 -0.435 1.00 0.49 H new ATOM 0 HG23 VAL B 51 15.402 -8.355 0.510 1.00 0.49 H new ATOM 1894 N ALA B 52 11.001 -10.275 1.095 1.00 0.28 N ATOM 1895 CA ALA B 52 9.763 -11.088 1.323 1.00 0.29 C ATOM 1896 C ALA B 52 8.924 -11.100 0.045 1.00 0.28 C ATOM 1897 O ALA B 52 8.573 -12.147 -0.470 1.00 0.31 O ATOM 1898 CB ALA B 52 9.009 -10.383 2.451 1.00 0.34 C ATOM 0 H ALA B 52 11.070 -9.424 1.654 1.00 0.28 H new ATOM 0 HA ALA B 52 9.987 -12.123 1.583 1.00 0.29 H new ATOM 0 HB1 ALA B 52 8.090 -10.927 2.670 1.00 0.34 H new ATOM 0 HB2 ALA B 52 9.634 -10.353 3.343 1.00 0.34 H new ATOM 0 HB3 ALA B 52 8.765 -9.366 2.145 1.00 0.34 H new ATOM 1904 N PHE B 53 8.623 -9.934 -0.478 1.00 0.29 N ATOM 1905 CA PHE B 53 7.831 -9.845 -1.743 1.00 0.29 C ATOM 1906 C PHE B 53 8.460 -10.776 -2.783 1.00 0.27 C ATOM 1907 O PHE B 53 7.822 -11.675 -3.313 1.00 0.28 O ATOM 1908 CB PHE B 53 7.958 -8.377 -2.166 1.00 0.33 C ATOM 1909 CG PHE B 53 7.357 -8.173 -3.536 1.00 0.33 C ATOM 1910 CD1 PHE B 53 6.025 -8.524 -3.776 1.00 0.48 C ATOM 1911 CD2 PHE B 53 8.134 -7.628 -4.564 1.00 0.55 C ATOM 1912 CE1 PHE B 53 5.468 -8.330 -5.045 1.00 0.51 C ATOM 1913 CE2 PHE B 53 7.578 -7.433 -5.833 1.00 0.60 C ATOM 1914 CZ PHE B 53 6.245 -7.784 -6.074 1.00 0.43 C ATOM 0 H PHE B 53 8.895 -9.036 -0.079 1.00 0.29 H new ATOM 0 HA PHE B 53 6.788 -10.141 -1.632 1.00 0.29 H new ATOM 0 HB2 PHE B 53 7.454 -7.738 -1.441 1.00 0.33 H new ATOM 0 HB3 PHE B 53 9.008 -8.083 -2.174 1.00 0.33 H new ATOM 0 HD1 PHE B 53 5.426 -8.945 -2.982 1.00 0.48 H new ATOM 0 HD2 PHE B 53 9.163 -7.358 -4.378 1.00 0.55 H new ATOM 0 HE1 PHE B 53 4.439 -8.601 -5.231 1.00 0.51 H new ATOM 0 HE2 PHE B 53 8.177 -7.012 -6.626 1.00 0.60 H new ATOM 0 HZ PHE B 53 5.816 -7.634 -7.054 1.00 0.43 H new ATOM 1924 N LEU B 54 9.727 -10.586 -3.041 1.00 0.28 N ATOM 1925 CA LEU B 54 10.431 -11.468 -4.009 1.00 0.29 C ATOM 1926 C LEU B 54 10.330 -12.916 -3.524 1.00 0.27 C ATOM 1927 O LEU B 54 10.179 -13.831 -4.308 1.00 0.30 O ATOM 1928 CB LEU B 54 11.885 -10.988 -3.997 1.00 0.33 C ATOM 1929 CG LEU B 54 12.097 -9.935 -5.090 1.00 0.38 C ATOM 1930 CD1 LEU B 54 11.797 -10.545 -6.462 1.00 0.55 C ATOM 1931 CD2 LEU B 54 11.163 -8.747 -4.845 1.00 0.55 C ATOM 0 H LEU B 54 10.303 -9.856 -2.621 1.00 0.28 H new ATOM 0 HA LEU B 54 10.009 -11.427 -5.013 1.00 0.29 H new ATOM 0 HB2 LEU B 54 12.130 -10.567 -3.022 1.00 0.33 H new ATOM 0 HB3 LEU B 54 12.557 -11.831 -4.158 1.00 0.33 H new ATOM 0 HG LEU B 54 13.133 -9.596 -5.065 1.00 0.38 H new ATOM 0 HD11 LEU B 54 11.949 -9.793 -7.236 1.00 0.55 H new ATOM 0 HD12 LEU B 54 12.465 -11.388 -6.639 1.00 0.55 H new ATOM 0 HD13 LEU B 54 10.763 -10.889 -6.489 1.00 0.55 H new ATOM 0 HD21 LEU B 54 11.315 -7.999 -5.623 1.00 0.55 H new ATOM 0 HD22 LEU B 54 10.128 -9.088 -4.866 1.00 0.55 H new ATOM 0 HD23 LEU B 54 11.381 -8.308 -3.872 1.00 0.55 H new ATOM 1943 N ARG B 55 10.390 -13.119 -2.228 1.00 0.26 N ATOM 1944 CA ARG B 55 10.280 -14.501 -1.671 1.00 0.27 C ATOM 1945 C ARG B 55 8.842 -15.017 -1.806 1.00 0.28 C ATOM 1946 O ARG B 55 8.566 -16.176 -1.555 1.00 0.38 O ATOM 1947 CB ARG B 55 10.676 -14.382 -0.196 1.00 0.31 C ATOM 1948 CG ARG B 55 10.781 -15.779 0.422 1.00 0.42 C ATOM 1949 CD ARG B 55 9.537 -16.064 1.267 1.00 0.53 C ATOM 1950 NE ARG B 55 9.557 -17.536 1.492 1.00 0.55 N ATOM 1951 CZ ARG B 55 8.527 -18.262 1.155 1.00 0.55 C ATOM 1952 NH1 ARG B 55 8.205 -18.395 -0.102 1.00 0.49 N ATOM 1953 NH2 ARG B 55 7.818 -18.856 2.076 1.00 0.84 N ATOM 0 H ARG B 55 10.511 -12.383 -1.532 1.00 0.26 H new ATOM 0 HA ARG B 55 10.920 -15.206 -2.202 1.00 0.27 H new ATOM 0 HB2 ARG B 55 11.629 -13.861 -0.106 1.00 0.31 H new ATOM 0 HB3 ARG B 55 9.937 -13.790 0.343 1.00 0.31 H new ATOM 0 HG2 ARG B 55 10.878 -16.528 -0.364 1.00 0.42 H new ATOM 0 HG3 ARG B 55 11.676 -15.847 1.040 1.00 0.42 H new ATOM 0 HD2 ARG B 55 9.567 -15.519 2.211 1.00 0.53 H new ATOM 0 HD3 ARG B 55 8.629 -15.755 0.750 1.00 0.53 H new ATOM 0 HE ARG B 55 10.377 -17.977 1.910 1.00 0.55 H new ATOM 0 HH11 ARG B 55 8.759 -17.931 -0.822 1.00 0.49 H new ATOM 0 HH12 ARG B 55 7.399 -18.963 -0.365 1.00 0.49 H new ATOM 0 HH21 ARG B 55 8.069 -18.752 3.059 1.00 0.84 H new ATOM 0 HH22 ARG B 55 7.013 -19.424 1.813 1.00 0.84 H new ATOM 1967 N PHE B 56 7.924 -14.173 -2.205 1.00 0.25 N ATOM 1968 CA PHE B 56 6.511 -14.629 -2.364 1.00 0.27 C ATOM 1969 C PHE B 56 6.200 -14.906 -3.838 1.00 0.27 C ATOM 1970 O PHE B 56 5.243 -15.590 -4.151 1.00 0.29 O ATOM 1971 CB PHE B 56 5.642 -13.471 -1.865 1.00 0.31 C ATOM 1972 CG PHE B 56 5.925 -13.172 -0.404 1.00 0.34 C ATOM 1973 CD1 PHE B 56 6.439 -14.163 0.451 1.00 0.36 C ATOM 1974 CD2 PHE B 56 5.660 -11.892 0.096 1.00 0.60 C ATOM 1975 CE1 PHE B 56 6.685 -13.867 1.796 1.00 0.43 C ATOM 1976 CE2 PHE B 56 5.907 -11.599 1.442 1.00 0.75 C ATOM 1977 CZ PHE B 56 6.419 -12.586 2.292 1.00 0.61 C ATOM 0 H PHE B 56 8.092 -13.192 -2.427 1.00 0.25 H new ATOM 0 HA PHE B 56 6.327 -15.550 -1.810 1.00 0.27 H new ATOM 0 HB2 PHE B 56 5.834 -12.582 -2.466 1.00 0.31 H new ATOM 0 HB3 PHE B 56 4.589 -13.721 -1.992 1.00 0.31 H new ATOM 0 HD1 PHE B 56 6.644 -15.152 0.069 1.00 0.36 H new ATOM 0 HD2 PHE B 56 5.264 -11.129 -0.558 1.00 0.60 H new ATOM 0 HE1 PHE B 56 7.081 -14.628 2.452 1.00 0.43 H new ATOM 0 HE2 PHE B 56 5.702 -10.610 1.825 1.00 0.75 H new ATOM 0 HZ PHE B 56 6.609 -12.359 3.331 1.00 0.61 H new ATOM 1987 N LEU B 57 6.974 -14.357 -4.747 1.00 0.29 N ATOM 1988 CA LEU B 57 6.675 -14.575 -6.201 1.00 0.33 C ATOM 1989 C LEU B 57 7.672 -15.531 -6.875 1.00 0.34 C ATOM 1990 O LEU B 57 7.273 -16.457 -7.557 1.00 0.40 O ATOM 1991 CB LEU B 57 6.769 -13.186 -6.837 1.00 0.38 C ATOM 1992 CG LEU B 57 6.034 -12.157 -5.968 1.00 0.34 C ATOM 1993 CD1 LEU B 57 6.071 -10.787 -6.650 1.00 0.45 C ATOM 1994 CD2 LEU B 57 4.579 -12.594 -5.764 1.00 0.39 C ATOM 0 H LEU B 57 7.788 -13.776 -4.549 1.00 0.29 H new ATOM 0 HA LEU B 57 5.696 -15.039 -6.325 1.00 0.33 H new ATOM 0 HB2 LEU B 57 7.815 -12.899 -6.949 1.00 0.38 H new ATOM 0 HB3 LEU B 57 6.335 -13.205 -7.837 1.00 0.38 H new ATOM 0 HG LEU B 57 6.526 -12.090 -4.998 1.00 0.34 H new ATOM 0 HD11 LEU B 57 5.548 -10.058 -6.031 1.00 0.45 H new ATOM 0 HD12 LEU B 57 7.107 -10.474 -6.782 1.00 0.45 H new ATOM 0 HD13 LEU B 57 5.584 -10.852 -7.623 1.00 0.45 H new ATOM 0 HD21 LEU B 57 4.062 -11.860 -5.146 1.00 0.39 H new ATOM 0 HD22 LEU B 57 4.082 -12.669 -6.731 1.00 0.39 H new ATOM 0 HD23 LEU B 57 4.557 -13.565 -5.269 1.00 0.39 H new ATOM 2006 N THR B 58 8.954 -15.305 -6.723 1.00 0.35 N ATOM 2007 CA THR B 58 9.957 -16.194 -7.394 1.00 0.39 C ATOM 2008 C THR B 58 11.082 -16.592 -6.430 1.00 0.37 C ATOM 2009 O THR B 58 11.872 -17.471 -6.720 1.00 0.44 O ATOM 2010 CB THR B 58 10.506 -15.343 -8.540 1.00 0.45 C ATOM 2011 OG1 THR B 58 9.461 -15.062 -9.461 1.00 0.83 O ATOM 2012 CG2 THR B 58 11.625 -16.099 -9.252 1.00 0.81 C ATOM 0 H THR B 58 9.349 -14.547 -6.166 1.00 0.35 H new ATOM 0 HA THR B 58 9.513 -17.128 -7.737 1.00 0.39 H new ATOM 0 HB THR B 58 10.901 -14.409 -8.141 1.00 0.45 H new ATOM 0 HG1 THR B 58 9.810 -14.515 -10.195 1.00 0.83 H new ATOM 0 HG21 THR B 58 12.014 -15.490 -10.068 1.00 0.81 H new ATOM 0 HG22 THR B 58 12.427 -16.313 -8.545 1.00 0.81 H new ATOM 0 HG23 THR B 58 11.235 -17.035 -9.652 1.00 0.81 H new ATOM 2020 N ILE B 59 11.149 -15.957 -5.291 1.00 0.33 N ATOM 2021 CA ILE B 59 12.203 -16.280 -4.285 1.00 0.33 C ATOM 2022 C ILE B 59 13.609 -16.258 -4.911 1.00 0.36 C ATOM 2023 O ILE B 59 14.306 -17.255 -4.907 1.00 0.41 O ATOM 2024 CB ILE B 59 11.839 -17.675 -3.777 1.00 0.36 C ATOM 2025 CG1 ILE B 59 10.419 -17.652 -3.201 1.00 0.36 C ATOM 2026 CG2 ILE B 59 12.822 -18.091 -2.676 1.00 0.40 C ATOM 2027 CD1 ILE B 59 9.424 -18.194 -4.230 1.00 0.38 C ATOM 0 H ILE B 59 10.507 -15.216 -5.010 1.00 0.33 H new ATOM 0 HA ILE B 59 12.236 -15.546 -3.480 1.00 0.33 H new ATOM 0 HB ILE B 59 11.890 -18.386 -4.602 1.00 0.36 H new ATOM 0 HG12 ILE B 59 10.377 -18.252 -2.292 1.00 0.36 H new ATOM 0 HG13 ILE B 59 10.148 -16.634 -2.923 1.00 0.36 H new ATOM 0 HG21 ILE B 59 12.563 -19.086 -2.314 1.00 0.40 H new ATOM 0 HG22 ILE B 59 13.835 -18.104 -3.079 1.00 0.40 H new ATOM 0 HG23 ILE B 59 12.768 -17.379 -1.852 1.00 0.40 H new ATOM 0 HD11 ILE B 59 8.418 -18.173 -3.810 1.00 0.38 H new ATOM 0 HD12 ILE B 59 9.455 -17.576 -5.127 1.00 0.38 H new ATOM 0 HD13 ILE B 59 9.689 -19.220 -4.487 1.00 0.38 H new ATOM 2039 N PRO B 60 13.985 -15.108 -5.418 1.00 0.36 N ATOM 2040 CA PRO B 60 15.313 -14.908 -6.020 1.00 0.40 C ATOM 2041 C PRO B 60 16.203 -14.090 -5.055 1.00 0.37 C ATOM 2042 O PRO B 60 16.541 -12.959 -5.352 1.00 0.42 O ATOM 2043 CB PRO B 60 14.959 -14.063 -7.245 1.00 0.48 C ATOM 2044 CG PRO B 60 13.673 -13.351 -6.879 1.00 0.46 C ATOM 2045 CD PRO B 60 13.223 -13.878 -5.532 1.00 0.37 C ATOM 0 HA PRO B 60 15.855 -15.826 -6.245 1.00 0.40 H new ATOM 0 HB2 PRO B 60 15.752 -13.351 -7.474 1.00 0.48 H new ATOM 0 HB3 PRO B 60 14.826 -14.687 -8.129 1.00 0.48 H new ATOM 0 HG2 PRO B 60 13.832 -12.273 -6.835 1.00 0.46 H new ATOM 0 HG3 PRO B 60 12.908 -13.530 -7.635 1.00 0.46 H new ATOM 0 HD2 PRO B 60 13.450 -13.181 -4.725 1.00 0.37 H new ATOM 0 HD3 PRO B 60 12.149 -14.060 -5.503 1.00 0.37 H new ATOM 2053 N PRO B 61 16.542 -14.663 -3.919 1.00 0.34 N ATOM 2054 CA PRO B 61 17.374 -13.928 -2.933 1.00 0.34 C ATOM 2055 C PRO B 61 18.793 -13.723 -3.466 1.00 0.33 C ATOM 2056 O PRO B 61 19.538 -14.667 -3.652 1.00 0.39 O ATOM 2057 CB PRO B 61 17.376 -14.833 -1.707 1.00 0.37 C ATOM 2058 CG PRO B 61 17.102 -16.196 -2.243 1.00 0.40 C ATOM 2059 CD PRO B 61 16.210 -16.012 -3.444 1.00 0.39 C ATOM 0 HA PRO B 61 16.989 -12.932 -2.716 1.00 0.34 H new ATOM 0 HB2 PRO B 61 18.334 -14.796 -1.189 1.00 0.37 H new ATOM 0 HB3 PRO B 61 16.614 -14.529 -0.989 1.00 0.37 H new ATOM 0 HG2 PRO B 61 18.029 -16.697 -2.521 1.00 0.40 H new ATOM 0 HG3 PRO B 61 16.617 -16.818 -1.491 1.00 0.40 H new ATOM 0 HD2 PRO B 61 16.406 -16.765 -4.207 1.00 0.39 H new ATOM 0 HD3 PRO B 61 15.156 -16.095 -3.177 1.00 0.39 H new ATOM 2067 N THR B 62 19.167 -12.493 -3.709 1.00 0.31 N ATOM 2068 CA THR B 62 20.537 -12.207 -4.227 1.00 0.31 C ATOM 2069 C THR B 62 21.587 -12.769 -3.254 1.00 0.30 C ATOM 2070 O THR B 62 21.278 -13.105 -2.128 1.00 0.33 O ATOM 2071 CB THR B 62 20.596 -10.668 -4.346 1.00 0.33 C ATOM 2072 OG1 THR B 62 20.943 -10.319 -5.677 1.00 0.38 O ATOM 2073 CG2 THR B 62 21.631 -10.075 -3.386 1.00 0.38 C ATOM 0 H THR B 62 18.579 -11.671 -3.570 1.00 0.31 H new ATOM 0 HA THR B 62 20.747 -12.675 -5.189 1.00 0.31 H new ATOM 0 HB THR B 62 19.617 -10.265 -4.086 1.00 0.33 H new ATOM 0 HG1 THR B 62 20.981 -9.343 -5.760 1.00 0.38 H new ATOM 0 HG21 THR B 62 21.648 -8.991 -3.494 1.00 0.38 H new ATOM 0 HG22 THR B 62 21.366 -10.333 -2.361 1.00 0.38 H new ATOM 0 HG23 THR B 62 22.616 -10.478 -3.619 1.00 0.38 H new ATOM 2081 N ALA B 63 22.816 -12.888 -3.697 1.00 0.32 N ATOM 2082 CA ALA B 63 23.903 -13.446 -2.826 1.00 0.35 C ATOM 2083 C ALA B 63 23.920 -12.778 -1.444 1.00 0.33 C ATOM 2084 O ALA B 63 24.010 -13.443 -0.429 1.00 0.36 O ATOM 2085 CB ALA B 63 25.200 -13.144 -3.577 1.00 0.39 C ATOM 0 H ALA B 63 23.117 -12.620 -4.634 1.00 0.32 H new ATOM 0 HA ALA B 63 23.760 -14.511 -2.644 1.00 0.35 H new ATOM 0 HB1 ALA B 63 26.048 -13.521 -3.005 1.00 0.39 H new ATOM 0 HB2 ALA B 63 25.176 -13.628 -4.553 1.00 0.39 H new ATOM 0 HB3 ALA B 63 25.302 -12.067 -3.709 1.00 0.39 H new ATOM 2091 N GLY B 64 23.851 -11.472 -1.403 1.00 0.33 N ATOM 2092 CA GLY B 64 23.878 -10.747 -0.097 1.00 0.34 C ATOM 2093 C GLY B 64 22.769 -11.253 0.829 1.00 0.29 C ATOM 2094 O GLY B 64 23.009 -11.523 1.987 1.00 0.30 O ATOM 0 H GLY B 64 23.777 -10.872 -2.225 1.00 0.33 H new ATOM 0 HA2 GLY B 64 24.848 -10.885 0.381 1.00 0.34 H new ATOM 0 HA3 GLY B 64 23.756 -9.677 -0.267 1.00 0.34 H new ATOM 2098 N ILE B 65 21.562 -11.373 0.332 1.00 0.28 N ATOM 2099 CA ILE B 65 20.427 -11.855 1.188 1.00 0.28 C ATOM 2100 C ILE B 65 20.840 -13.109 1.964 1.00 0.29 C ATOM 2101 O ILE B 65 20.425 -13.314 3.087 1.00 0.31 O ATOM 2102 CB ILE B 65 19.282 -12.176 0.214 1.00 0.28 C ATOM 2103 CG1 ILE B 65 18.958 -10.953 -0.660 1.00 0.31 C ATOM 2104 CG2 ILE B 65 18.029 -12.576 1.003 1.00 0.31 C ATOM 2105 CD1 ILE B 65 18.877 -9.685 0.199 1.00 0.31 C ATOM 0 H ILE B 65 21.311 -11.158 -0.633 1.00 0.28 H new ATOM 0 HA ILE B 65 20.130 -11.108 1.925 1.00 0.28 H new ATOM 0 HB ILE B 65 19.595 -12.999 -0.428 1.00 0.28 H new ATOM 0 HG12 ILE B 65 19.725 -10.832 -1.425 1.00 0.31 H new ATOM 0 HG13 ILE B 65 18.012 -11.109 -1.178 1.00 0.31 H new ATOM 0 HG21 ILE B 65 17.219 -12.803 0.309 1.00 0.31 H new ATOM 0 HG22 ILE B 65 18.246 -13.456 1.608 1.00 0.31 H new ATOM 0 HG23 ILE B 65 17.730 -11.753 1.653 1.00 0.31 H new ATOM 0 HD11 ILE B 65 18.647 -8.829 -0.436 1.00 0.31 H new ATOM 0 HD12 ILE B 65 18.094 -9.802 0.948 1.00 0.31 H new ATOM 0 HD13 ILE B 65 19.833 -9.521 0.697 1.00 0.31 H new ATOM 2117 N LEU B 66 21.660 -13.941 1.372 1.00 0.30 N ATOM 2118 CA LEU B 66 22.108 -15.183 2.070 1.00 0.33 C ATOM 2119 C LEU B 66 23.271 -14.865 3.011 1.00 0.31 C ATOM 2120 O LEU B 66 23.243 -15.202 4.180 1.00 0.37 O ATOM 2121 CB LEU B 66 22.567 -16.135 0.958 1.00 0.41 C ATOM 2122 CG LEU B 66 21.360 -16.788 0.268 1.00 0.46 C ATOM 2123 CD1 LEU B 66 20.518 -17.561 1.288 1.00 0.55 C ATOM 2124 CD2 LEU B 66 20.499 -15.710 -0.396 1.00 0.45 C ATOM 0 H LEU B 66 22.039 -13.813 0.434 1.00 0.30 H new ATOM 0 HA LEU B 66 21.313 -15.621 2.674 1.00 0.33 H new ATOM 0 HB2 LEU B 66 23.158 -15.587 0.225 1.00 0.41 H new ATOM 0 HB3 LEU B 66 23.214 -16.906 1.377 1.00 0.41 H new ATOM 0 HG LEU B 66 21.723 -17.483 -0.490 1.00 0.46 H new ATOM 0 HD11 LEU B 66 19.666 -18.018 0.785 1.00 0.55 H new ATOM 0 HD12 LEU B 66 21.128 -18.338 1.749 1.00 0.55 H new ATOM 0 HD13 LEU B 66 20.160 -16.877 2.058 1.00 0.55 H new ATOM 0 HD21 LEU B 66 19.644 -16.177 -0.884 1.00 0.45 H new ATOM 0 HD22 LEU B 66 20.147 -15.009 0.360 1.00 0.45 H new ATOM 0 HD23 LEU B 66 21.093 -15.176 -1.137 1.00 0.45 H new ATOM 2136 N LYS B 67 24.292 -14.217 2.508 1.00 0.30 N ATOM 2137 CA LYS B 67 25.464 -13.869 3.369 1.00 0.32 C ATOM 2138 C LYS B 67 25.007 -13.016 4.555 1.00 0.30 C ATOM 2139 O LYS B 67 25.587 -13.062 5.624 1.00 0.37 O ATOM 2140 CB LYS B 67 26.401 -13.071 2.462 1.00 0.36 C ATOM 2141 CG LYS B 67 27.201 -14.033 1.582 1.00 0.48 C ATOM 2142 CD LYS B 67 28.303 -14.692 2.414 1.00 0.61 C ATOM 2143 CE LYS B 67 29.375 -13.654 2.758 1.00 0.73 C ATOM 2144 NZ LYS B 67 29.641 -13.844 4.212 1.00 0.83 N ATOM 0 H LYS B 67 24.365 -13.914 1.537 1.00 0.30 H new ATOM 0 HA LYS B 67 25.954 -14.752 3.780 1.00 0.32 H new ATOM 0 HB2 LYS B 67 25.826 -12.385 1.840 1.00 0.36 H new ATOM 0 HB3 LYS B 67 27.077 -12.464 3.064 1.00 0.36 H new ATOM 0 HG2 LYS B 67 26.542 -14.794 1.165 1.00 0.48 H new ATOM 0 HG3 LYS B 67 27.639 -13.495 0.741 1.00 0.48 H new ATOM 0 HD2 LYS B 67 27.882 -15.111 3.328 1.00 0.61 H new ATOM 0 HD3 LYS B 67 28.747 -15.518 1.859 1.00 0.61 H new ATOM 0 HE2 LYS B 67 30.278 -13.809 2.168 1.00 0.73 H new ATOM 0 HE3 LYS B 67 29.027 -12.642 2.549 1.00 0.73 H new ATOM 0 HZ1 LYS B 67 30.367 -13.167 4.524 1.00 0.83 H new ATOM 0 HZ2 LYS B 67 28.765 -13.684 4.749 1.00 0.83 H new ATOM 0 HZ3 LYS B 67 29.977 -14.814 4.380 1.00 0.83 H new ATOM 2158 N ARG B 68 23.967 -12.244 4.369 1.00 0.27 N ATOM 2159 CA ARG B 68 23.455 -11.387 5.476 1.00 0.27 C ATOM 2160 C ARG B 68 22.496 -12.200 6.357 1.00 0.24 C ATOM 2161 O ARG B 68 22.386 -11.974 7.545 1.00 0.27 O ATOM 2162 CB ARG B 68 22.746 -10.215 4.773 1.00 0.28 C ATOM 2163 CG ARG B 68 21.230 -10.437 4.726 1.00 0.29 C ATOM 2164 CD ARG B 68 20.583 -9.339 3.876 1.00 0.32 C ATOM 2165 NE ARG B 68 20.313 -8.219 4.823 1.00 0.29 N ATOM 2166 CZ ARG B 68 21.300 -7.528 5.324 1.00 0.30 C ATOM 2167 NH1 ARG B 68 22.304 -7.174 4.567 1.00 0.34 N ATOM 2168 NH2 ARG B 68 21.284 -7.189 6.585 1.00 0.42 N ATOM 0 H ARG B 68 23.449 -12.171 3.493 1.00 0.27 H new ATOM 0 HA ARG B 68 24.241 -11.023 6.138 1.00 0.27 H new ATOM 0 HB2 ARG B 68 22.965 -9.285 5.299 1.00 0.28 H new ATOM 0 HB3 ARG B 68 23.133 -10.107 3.760 1.00 0.28 H new ATOM 0 HG2 ARG B 68 21.007 -11.417 4.305 1.00 0.29 H new ATOM 0 HG3 ARG B 68 20.817 -10.422 5.735 1.00 0.29 H new ATOM 0 HD2 ARG B 68 21.246 -9.023 3.071 1.00 0.32 H new ATOM 0 HD3 ARG B 68 19.663 -9.692 3.411 1.00 0.32 H new ATOM 0 HE ARG B 68 19.352 -7.992 5.080 1.00 0.29 H new ATOM 0 HH11 ARG B 68 22.318 -7.438 3.582 1.00 0.34 H new ATOM 0 HH12 ARG B 68 23.074 -6.634 4.961 1.00 0.34 H new ATOM 0 HH21 ARG B 68 20.501 -7.464 7.177 1.00 0.42 H new ATOM 0 HH22 ARG B 68 22.055 -6.649 6.978 1.00 0.42 H new ATOM 2182 N TRP B 69 21.809 -13.146 5.767 1.00 0.23 N ATOM 2183 CA TRP B 69 20.845 -14.000 6.532 1.00 0.24 C ATOM 2184 C TRP B 69 21.481 -14.578 7.805 1.00 0.25 C ATOM 2185 O TRP B 69 20.806 -14.791 8.795 1.00 0.29 O ATOM 2186 CB TRP B 69 20.514 -15.138 5.572 1.00 0.26 C ATOM 2187 CG TRP B 69 19.108 -15.599 5.773 1.00 0.24 C ATOM 2188 CD1 TRP B 69 18.761 -16.856 6.123 1.00 0.26 C ATOM 2189 CD2 TRP B 69 17.860 -14.853 5.633 1.00 0.23 C ATOM 2190 NE1 TRP B 69 17.387 -16.934 6.203 1.00 0.27 N ATOM 2191 CE2 TRP B 69 16.786 -15.731 5.911 1.00 0.25 C ATOM 2192 CE3 TRP B 69 17.551 -13.518 5.297 1.00 0.25 C ATOM 2193 CZ2 TRP B 69 15.460 -15.311 5.854 1.00 0.26 C ATOM 2194 CZ3 TRP B 69 16.214 -13.095 5.240 1.00 0.28 C ATOM 2195 CH2 TRP B 69 15.174 -13.992 5.517 1.00 0.28 C ATOM 0 H TRP B 69 21.875 -13.367 4.773 1.00 0.23 H new ATOM 0 HA TRP B 69 19.975 -13.428 6.854 1.00 0.24 H new ATOM 0 HB2 TRP B 69 20.650 -14.805 4.543 1.00 0.26 H new ATOM 0 HB3 TRP B 69 21.202 -15.968 5.732 1.00 0.26 H new ATOM 0 HD1 TRP B 69 19.448 -17.668 6.310 1.00 0.26 H new ATOM 0 HE1 TRP B 69 16.877 -17.782 6.449 1.00 0.27 H new ATOM 0 HE3 TRP B 69 18.346 -12.819 5.083 1.00 0.25 H new ATOM 0 HZ2 TRP B 69 14.660 -16.004 6.070 1.00 0.26 H new ATOM 0 HZ3 TRP B 69 15.985 -12.072 4.981 1.00 0.28 H new ATOM 0 HH2 TRP B 69 14.148 -13.659 5.469 1.00 0.28 H new ATOM 2206 N GLY B 70 22.762 -14.858 7.779 1.00 0.28 N ATOM 2207 CA GLY B 70 23.427 -15.452 8.980 1.00 0.34 C ATOM 2208 C GLY B 70 24.460 -14.487 9.565 1.00 0.34 C ATOM 2209 O GLY B 70 25.568 -14.879 9.882 1.00 0.41 O ATOM 0 H GLY B 70 23.375 -14.701 6.979 1.00 0.28 H new ATOM 0 HA2 GLY B 70 22.678 -15.690 9.735 1.00 0.34 H new ATOM 0 HA3 GLY B 70 23.913 -16.389 8.706 1.00 0.34 H new ATOM 2213 N THR B 71 24.107 -13.237 9.728 1.00 0.32 N ATOM 2214 CA THR B 71 25.072 -12.256 10.313 1.00 0.35 C ATOM 2215 C THR B 71 24.366 -10.931 10.625 1.00 0.35 C ATOM 2216 O THR B 71 24.968 -9.874 10.582 1.00 0.52 O ATOM 2217 CB THR B 71 26.156 -12.061 9.248 1.00 0.40 C ATOM 2218 OG1 THR B 71 27.151 -11.176 9.742 1.00 0.51 O ATOM 2219 CG2 THR B 71 25.536 -11.476 7.981 1.00 0.46 C ATOM 0 H THR B 71 23.194 -12.854 9.482 1.00 0.32 H new ATOM 0 HA THR B 71 25.496 -12.613 11.252 1.00 0.35 H new ATOM 0 HB THR B 71 26.609 -13.025 9.014 1.00 0.40 H new ATOM 0 HG1 THR B 71 26.722 -10.385 10.130 1.00 0.51 H new ATOM 0 HG21 THR B 71 26.311 -11.339 7.227 1.00 0.46 H new ATOM 0 HG22 THR B 71 24.775 -12.157 7.600 1.00 0.46 H new ATOM 0 HG23 THR B 71 25.079 -10.513 8.211 1.00 0.46 H new ATOM 2227 N ILE B 72 23.097 -10.984 10.951 1.00 0.31 N ATOM 2228 CA ILE B 72 22.350 -9.733 11.280 1.00 0.32 C ATOM 2229 C ILE B 72 21.949 -9.741 12.764 1.00 0.33 C ATOM 2230 O ILE B 72 22.786 -9.920 13.629 1.00 0.42 O ATOM 2231 CB ILE B 72 21.125 -9.731 10.357 1.00 0.31 C ATOM 2232 CG1 ILE B 72 20.300 -11.001 10.577 1.00 0.30 C ATOM 2233 CG2 ILE B 72 21.583 -9.668 8.899 1.00 0.35 C ATOM 2234 CD1 ILE B 72 18.822 -10.688 10.336 1.00 0.31 C ATOM 0 H ILE B 72 22.547 -11.842 11.003 1.00 0.31 H new ATOM 0 HA ILE B 72 22.948 -8.834 11.127 1.00 0.32 H new ATOM 0 HB ILE B 72 20.509 -8.861 10.586 1.00 0.31 H new ATOM 0 HG12 ILE B 72 20.633 -11.787 9.899 1.00 0.30 H new ATOM 0 HG13 ILE B 72 20.445 -11.372 11.592 1.00 0.30 H new ATOM 0 HG21 ILE B 72 20.712 -9.667 8.244 1.00 0.35 H new ATOM 0 HG22 ILE B 72 22.160 -8.757 8.738 1.00 0.35 H new ATOM 0 HG23 ILE B 72 22.204 -10.535 8.675 1.00 0.35 H new ATOM 0 HD11 ILE B 72 18.229 -11.589 10.491 1.00 0.31 H new ATOM 0 HD12 ILE B 72 18.496 -9.915 11.032 1.00 0.31 H new ATOM 0 HD13 ILE B 72 18.687 -10.336 9.313 1.00 0.31 H new ATOM 2246 N LYS B 73 20.692 -9.532 13.068 1.00 0.31 N ATOM 2247 CA LYS B 73 20.257 -9.510 14.498 1.00 0.32 C ATOM 2248 C LYS B 73 19.275 -10.636 14.797 1.00 0.29 C ATOM 2249 O LYS B 73 19.286 -11.201 15.873 1.00 0.33 O ATOM 2250 CB LYS B 73 19.559 -8.165 14.663 1.00 0.36 C ATOM 2251 CG LYS B 73 19.107 -7.995 16.110 1.00 0.43 C ATOM 2252 CD LYS B 73 20.146 -7.179 16.884 1.00 0.53 C ATOM 2253 CE LYS B 73 21.071 -8.125 17.654 1.00 0.65 C ATOM 2254 NZ LYS B 73 22.440 -7.575 17.449 1.00 0.76 N ATOM 0 H LYS B 73 19.949 -9.376 12.387 1.00 0.31 H new ATOM 0 HA LYS B 73 21.100 -9.644 15.176 1.00 0.32 H new ATOM 0 HB2 LYS B 73 20.236 -7.357 14.386 1.00 0.36 H new ATOM 0 HB3 LYS B 73 18.700 -8.105 13.994 1.00 0.36 H new ATOM 0 HG2 LYS B 73 18.140 -7.494 16.142 1.00 0.43 H new ATOM 0 HG3 LYS B 73 18.976 -8.971 16.577 1.00 0.43 H new ATOM 0 HD2 LYS B 73 20.728 -6.565 16.196 1.00 0.53 H new ATOM 0 HD3 LYS B 73 19.648 -6.499 17.575 1.00 0.53 H new ATOM 0 HE2 LYS B 73 20.812 -8.156 18.712 1.00 0.65 H new ATOM 0 HE3 LYS B 73 20.995 -9.145 17.278 1.00 0.65 H new ATOM 0 HZ1 LYS B 73 23.132 -8.171 17.948 1.00 0.76 H new ATOM 0 HZ2 LYS B 73 22.661 -7.564 16.433 1.00 0.76 H new ATOM 0 HZ3 LYS B 73 22.484 -6.606 17.823 1.00 0.76 H new ATOM 2268 N LYS B 74 18.413 -10.930 13.863 1.00 0.26 N ATOM 2269 CA LYS B 74 17.373 -11.992 14.052 1.00 0.26 C ATOM 2270 C LYS B 74 16.296 -11.506 15.029 1.00 0.27 C ATOM 2271 O LYS B 74 15.117 -11.623 14.763 1.00 0.28 O ATOM 2272 CB LYS B 74 18.067 -13.249 14.612 1.00 0.29 C ATOM 2273 CG LYS B 74 19.395 -13.516 13.900 1.00 0.28 C ATOM 2274 CD LYS B 74 19.217 -13.429 12.383 1.00 0.31 C ATOM 2275 CE LYS B 74 18.297 -14.556 11.916 1.00 0.30 C ATOM 2276 NZ LYS B 74 18.850 -14.989 10.602 1.00 0.29 N ATOM 0 H LYS B 74 18.382 -10.470 12.953 1.00 0.26 H new ATOM 0 HA LYS B 74 16.892 -12.221 13.101 1.00 0.26 H new ATOM 0 HB2 LYS B 74 18.244 -13.124 15.680 1.00 0.29 H new ATOM 0 HB3 LYS B 74 17.410 -14.111 14.496 1.00 0.29 H new ATOM 0 HG2 LYS B 74 20.141 -12.792 14.227 1.00 0.28 H new ATOM 0 HG3 LYS B 74 19.768 -14.503 14.172 1.00 0.28 H new ATOM 0 HD2 LYS B 74 18.794 -12.462 12.110 1.00 0.31 H new ATOM 0 HD3 LYS B 74 20.185 -13.505 11.887 1.00 0.31 H new ATOM 0 HE2 LYS B 74 18.288 -15.379 12.630 1.00 0.30 H new ATOM 0 HE3 LYS B 74 17.268 -14.209 11.816 1.00 0.30 H new ATOM 0 HZ1 LYS B 74 18.786 -16.024 10.523 1.00 0.29 H new ATOM 0 HZ2 LYS B 74 18.305 -14.549 9.834 1.00 0.29 H new ATOM 0 HZ3 LYS B 74 19.846 -14.697 10.531 1.00 0.29 H new ATOM 2290 N SER B 75 16.688 -10.952 16.152 1.00 0.30 N ATOM 2291 CA SER B 75 15.677 -10.461 17.135 1.00 0.33 C ATOM 2292 C SER B 75 14.807 -9.392 16.480 1.00 0.31 C ATOM 2293 O SER B 75 13.599 -9.404 16.606 1.00 0.34 O ATOM 2294 CB SER B 75 16.482 -9.877 18.298 1.00 0.40 C ATOM 2295 OG SER B 75 17.064 -8.642 17.904 1.00 0.50 O ATOM 0 H SER B 75 17.661 -10.820 16.427 1.00 0.30 H new ATOM 0 HA SER B 75 15.012 -11.253 17.479 1.00 0.33 H new ATOM 0 HB2 SER B 75 15.834 -9.726 19.162 1.00 0.40 H new ATOM 0 HB3 SER B 75 17.261 -10.577 18.602 1.00 0.40 H new ATOM 0 HG SER B 75 17.903 -8.505 18.392 1.00 0.50 H new ATOM 2301 N LYS B 76 15.416 -8.480 15.768 1.00 0.31 N ATOM 2302 CA LYS B 76 14.631 -7.413 15.083 1.00 0.32 C ATOM 2303 C LYS B 76 13.954 -7.996 13.840 1.00 0.27 C ATOM 2304 O LYS B 76 12.807 -7.708 13.560 1.00 0.29 O ATOM 2305 CB LYS B 76 15.656 -6.344 14.695 1.00 0.36 C ATOM 2306 CG LYS B 76 15.291 -5.022 15.377 1.00 0.37 C ATOM 2307 CD LYS B 76 15.876 -3.849 14.584 1.00 0.45 C ATOM 2308 CE LYS B 76 14.743 -2.939 14.103 1.00 0.42 C ATOM 2309 NZ LYS B 76 14.745 -1.789 15.049 1.00 0.33 N ATOM 0 H LYS B 76 16.426 -8.429 15.632 1.00 0.31 H new ATOM 0 HA LYS B 76 13.846 -6.998 15.715 1.00 0.32 H new ATOM 0 HB2 LYS B 76 16.656 -6.657 14.995 1.00 0.36 H new ATOM 0 HB3 LYS B 76 15.673 -6.216 13.613 1.00 0.36 H new ATOM 0 HG2 LYS B 76 14.207 -4.924 15.443 1.00 0.37 H new ATOM 0 HG3 LYS B 76 15.675 -5.011 16.397 1.00 0.37 H new ATOM 0 HD2 LYS B 76 16.569 -3.285 15.208 1.00 0.45 H new ATOM 0 HD3 LYS B 76 16.444 -4.221 13.731 1.00 0.45 H new ATOM 0 HE2 LYS B 76 14.911 -2.608 13.078 1.00 0.42 H new ATOM 0 HE3 LYS B 76 13.786 -3.460 14.117 1.00 0.42 H new ATOM 0 HZ1 LYS B 76 13.994 -1.120 14.784 1.00 0.33 H new ATOM 0 HZ2 LYS B 76 14.576 -2.134 16.015 1.00 0.33 H new ATOM 0 HZ3 LYS B 76 15.666 -1.308 15.009 1.00 0.33 H new ATOM 2323 N ALA B 77 14.655 -8.823 13.102 1.00 0.28 N ATOM 2324 CA ALA B 77 14.050 -9.440 11.881 1.00 0.27 C ATOM 2325 C ALA B 77 12.838 -10.282 12.276 1.00 0.26 C ATOM 2326 O ALA B 77 11.749 -10.094 11.767 1.00 0.30 O ATOM 2327 CB ALA B 77 15.142 -10.334 11.290 1.00 0.29 C ATOM 0 H ALA B 77 15.619 -9.097 13.293 1.00 0.28 H new ATOM 0 HA ALA B 77 13.713 -8.689 11.166 1.00 0.27 H new ATOM 0 HB1 ALA B 77 14.767 -10.820 10.389 1.00 0.29 H new ATOM 0 HB2 ALA B 77 16.013 -9.728 11.039 1.00 0.29 H new ATOM 0 HB3 ALA B 77 15.426 -11.092 12.020 1.00 0.29 H new ATOM 2333 N ILE B 78 13.024 -11.206 13.187 1.00 0.26 N ATOM 2334 CA ILE B 78 11.887 -12.065 13.630 1.00 0.27 C ATOM 2335 C ILE B 78 10.770 -11.184 14.199 1.00 0.28 C ATOM 2336 O ILE B 78 9.603 -11.407 13.933 1.00 0.32 O ATOM 2337 CB ILE B 78 12.475 -12.992 14.700 1.00 0.29 C ATOM 2338 CG1 ILE B 78 13.549 -13.882 14.060 1.00 0.29 C ATOM 2339 CG2 ILE B 78 11.365 -13.872 15.280 1.00 0.36 C ATOM 2340 CD1 ILE B 78 14.600 -14.273 15.104 1.00 0.30 C ATOM 0 H ILE B 78 13.916 -11.401 13.642 1.00 0.26 H new ATOM 0 HA ILE B 78 11.448 -12.641 12.815 1.00 0.27 H new ATOM 0 HB ILE B 78 12.918 -12.396 15.498 1.00 0.29 H new ATOM 0 HG12 ILE B 78 13.089 -14.778 13.643 1.00 0.29 H new ATOM 0 HG13 ILE B 78 14.025 -13.354 13.234 1.00 0.29 H new ATOM 0 HG21 ILE B 78 11.783 -14.531 16.041 1.00 0.36 H new ATOM 0 HG22 ILE B 78 10.598 -13.241 15.729 1.00 0.36 H new ATOM 0 HG23 ILE B 78 10.923 -14.471 14.484 1.00 0.36 H new ATOM 0 HD11 ILE B 78 15.357 -14.904 14.639 1.00 0.30 H new ATOM 0 HD12 ILE B 78 15.071 -13.374 15.501 1.00 0.30 H new ATOM 0 HD13 ILE B 78 14.120 -14.820 15.916 1.00 0.30 H new ATOM 2352 N ASN B 79 11.116 -10.166 14.953 1.00 0.28 N ATOM 2353 CA ASN B 79 10.065 -9.257 15.502 1.00 0.30 C ATOM 2354 C ASN B 79 9.382 -8.550 14.333 1.00 0.28 C ATOM 2355 O ASN B 79 8.175 -8.398 14.302 1.00 0.32 O ATOM 2356 CB ASN B 79 10.800 -8.246 16.384 1.00 0.34 C ATOM 2357 CG ASN B 79 10.704 -8.681 17.848 1.00 0.41 C ATOM 2358 OD1 ASN B 79 9.622 -8.796 18.389 1.00 0.50 O ATOM 2359 ND2 ASN B 79 11.796 -8.930 18.517 1.00 0.46 N ATOM 0 H ASN B 79 12.074 -9.929 15.209 1.00 0.28 H new ATOM 0 HA ASN B 79 9.305 -9.788 16.075 1.00 0.30 H new ATOM 0 HB2 ASN B 79 11.845 -8.176 16.082 1.00 0.34 H new ATOM 0 HB3 ASN B 79 10.365 -7.254 16.259 1.00 0.34 H new ATOM 0 HD21 ASN B 79 11.741 -9.221 19.493 1.00 0.46 H new ATOM 0 HD22 ASN B 79 12.705 -8.834 18.064 1.00 0.46 H new ATOM 2366 N VAL B 80 10.157 -8.145 13.357 1.00 0.27 N ATOM 2367 CA VAL B 80 9.578 -7.473 12.158 1.00 0.28 C ATOM 2368 C VAL B 80 8.594 -8.438 11.495 1.00 0.28 C ATOM 2369 O VAL B 80 7.478 -8.079 11.168 1.00 0.32 O ATOM 2370 CB VAL B 80 10.787 -7.175 11.251 1.00 0.30 C ATOM 2371 CG1 VAL B 80 10.481 -7.537 9.793 1.00 0.36 C ATOM 2372 CG2 VAL B 80 11.128 -5.685 11.338 1.00 0.45 C ATOM 0 H VAL B 80 11.171 -8.253 13.342 1.00 0.27 H new ATOM 0 HA VAL B 80 9.032 -6.557 12.383 1.00 0.28 H new ATOM 0 HB VAL B 80 11.630 -7.777 11.589 1.00 0.30 H new ATOM 0 HG11 VAL B 80 11.350 -7.317 9.173 1.00 0.36 H new ATOM 0 HG12 VAL B 80 10.245 -8.599 9.724 1.00 0.36 H new ATOM 0 HG13 VAL B 80 9.630 -6.953 9.444 1.00 0.36 H new ATOM 0 HG21 VAL B 80 11.983 -5.469 10.698 1.00 0.45 H new ATOM 0 HG22 VAL B 80 10.272 -5.096 11.010 1.00 0.45 H new ATOM 0 HG23 VAL B 80 11.372 -5.427 12.369 1.00 0.45 H new ATOM 2382 N LEU B 81 9.006 -9.668 11.314 1.00 0.28 N ATOM 2383 CA LEU B 81 8.105 -10.683 10.694 1.00 0.30 C ATOM 2384 C LEU B 81 6.828 -10.797 11.528 1.00 0.31 C ATOM 2385 O LEU B 81 5.755 -11.039 11.009 1.00 0.35 O ATOM 2386 CB LEU B 81 8.898 -11.988 10.720 1.00 0.31 C ATOM 2387 CG LEU B 81 9.061 -12.512 9.292 1.00 0.37 C ATOM 2388 CD1 LEU B 81 10.436 -12.113 8.754 1.00 0.61 C ATOM 2389 CD2 LEU B 81 8.936 -14.036 9.295 1.00 0.41 C ATOM 0 H LEU B 81 9.931 -10.012 11.570 1.00 0.28 H new ATOM 0 HA LEU B 81 7.806 -10.425 9.678 1.00 0.30 H new ATOM 0 HB2 LEU B 81 9.876 -11.823 11.173 1.00 0.31 H new ATOM 0 HB3 LEU B 81 8.383 -12.727 11.334 1.00 0.31 H new ATOM 0 HG LEU B 81 8.286 -12.083 8.656 1.00 0.37 H new ATOM 0 HD11 LEU B 81 10.551 -12.487 7.737 1.00 0.61 H new ATOM 0 HD12 LEU B 81 10.525 -11.027 8.754 1.00 0.61 H new ATOM 0 HD13 LEU B 81 11.213 -12.541 9.388 1.00 0.61 H new ATOM 0 HD21 LEU B 81 9.052 -14.413 8.279 1.00 0.41 H new ATOM 0 HD22 LEU B 81 9.711 -14.463 9.931 1.00 0.41 H new ATOM 0 HD23 LEU B 81 7.956 -14.320 9.678 1.00 0.41 H new ATOM 2401 N ARG B 82 6.940 -10.591 12.816 1.00 0.31 N ATOM 2402 CA ARG B 82 5.736 -10.648 13.692 1.00 0.34 C ATOM 2403 C ARG B 82 4.867 -9.427 13.397 1.00 0.34 C ATOM 2404 O ARG B 82 3.653 -9.507 13.353 1.00 0.38 O ATOM 2405 CB ARG B 82 6.275 -10.598 15.123 1.00 0.37 C ATOM 2406 CG ARG B 82 5.346 -11.389 16.050 1.00 0.42 C ATOM 2407 CD ARG B 82 6.007 -12.716 16.431 1.00 0.47 C ATOM 2408 NE ARG B 82 6.539 -12.500 17.806 1.00 0.50 N ATOM 2409 CZ ARG B 82 7.625 -11.797 17.983 1.00 0.48 C ATOM 2410 NH1 ARG B 82 8.792 -12.330 17.745 1.00 0.50 N ATOM 2411 NH2 ARG B 82 7.543 -10.563 18.399 1.00 0.51 N ATOM 0 H ARG B 82 7.816 -10.386 13.297 1.00 0.31 H new ATOM 0 HA ARG B 82 5.130 -11.540 13.534 1.00 0.34 H new ATOM 0 HB2 ARG B 82 7.281 -11.015 15.158 1.00 0.37 H new ATOM 0 HB3 ARG B 82 6.347 -9.564 15.459 1.00 0.37 H new ATOM 0 HG2 ARG B 82 5.130 -10.808 16.947 1.00 0.42 H new ATOM 0 HG3 ARG B 82 4.393 -11.575 15.554 1.00 0.42 H new ATOM 0 HD2 ARG B 82 5.289 -13.535 16.410 1.00 0.47 H new ATOM 0 HD3 ARG B 82 6.805 -12.974 15.735 1.00 0.47 H new ATOM 0 HE ARG B 82 6.055 -12.901 18.609 1.00 0.50 H new ATOM 0 HH11 ARG B 82 8.855 -13.295 17.421 1.00 0.50 H new ATOM 0 HH12 ARG B 82 9.641 -11.782 17.883 1.00 0.50 H new ATOM 0 HH21 ARG B 82 6.630 -10.147 18.586 1.00 0.51 H new ATOM 0 HH22 ARG B 82 8.391 -10.014 18.537 1.00 0.51 H new ATOM 2425 N GLY B 83 5.495 -8.299 13.169 1.00 0.35 N ATOM 2426 CA GLY B 83 4.732 -7.062 12.846 1.00 0.39 C ATOM 2427 C GLY B 83 4.034 -7.262 11.502 1.00 0.38 C ATOM 2428 O GLY B 83 2.946 -6.768 11.277 1.00 0.42 O ATOM 0 H GLY B 83 6.508 -8.186 13.194 1.00 0.35 H new ATOM 0 HA2 GLY B 83 4.000 -6.854 13.626 1.00 0.39 H new ATOM 0 HA3 GLY B 83 5.403 -6.204 12.801 1.00 0.39 H new ATOM 2432 N PHE B 84 4.650 -8.007 10.616 1.00 0.36 N ATOM 2433 CA PHE B 84 4.024 -8.271 9.290 1.00 0.36 C ATOM 2434 C PHE B 84 2.787 -9.142 9.496 1.00 0.36 C ATOM 2435 O PHE B 84 1.761 -8.940 8.875 1.00 0.38 O ATOM 2436 CB PHE B 84 5.086 -9.020 8.481 1.00 0.37 C ATOM 2437 CG PHE B 84 6.019 -8.039 7.825 1.00 0.37 C ATOM 2438 CD1 PHE B 84 5.506 -6.994 7.049 1.00 0.84 C ATOM 2439 CD2 PHE B 84 7.401 -8.180 7.987 1.00 0.62 C ATOM 2440 CE1 PHE B 84 6.379 -6.092 6.435 1.00 0.88 C ATOM 2441 CE2 PHE B 84 8.270 -7.279 7.374 1.00 0.65 C ATOM 2442 CZ PHE B 84 7.760 -6.237 6.599 1.00 0.49 C ATOM 0 H PHE B 84 5.561 -8.443 10.758 1.00 0.36 H new ATOM 0 HA PHE B 84 3.711 -7.361 8.778 1.00 0.36 H new ATOM 0 HB2 PHE B 84 5.648 -9.688 9.133 1.00 0.37 H new ATOM 0 HB3 PHE B 84 4.607 -9.641 7.724 1.00 0.37 H new ATOM 0 HD1 PHE B 84 4.439 -6.885 6.925 1.00 0.84 H new ATOM 0 HD2 PHE B 84 7.795 -8.987 8.587 1.00 0.62 H new ATOM 0 HE1 PHE B 84 5.988 -5.284 5.835 1.00 0.88 H new ATOM 0 HE2 PHE B 84 9.337 -7.387 7.499 1.00 0.65 H new ATOM 0 HZ PHE B 84 8.434 -5.540 6.124 1.00 0.49 H new ATOM 2452 N ARG B 85 2.878 -10.099 10.389 1.00 0.37 N ATOM 2453 CA ARG B 85 1.707 -10.979 10.670 1.00 0.38 C ATOM 2454 C ARG B 85 0.564 -10.121 11.213 1.00 0.35 C ATOM 2455 O ARG B 85 -0.593 -10.347 10.915 1.00 0.35 O ATOM 2456 CB ARG B 85 2.190 -11.971 11.729 1.00 0.43 C ATOM 2457 CG ARG B 85 1.247 -13.175 11.768 1.00 0.47 C ATOM 2458 CD ARG B 85 1.194 -13.736 13.191 1.00 0.48 C ATOM 2459 NE ARG B 85 2.146 -14.881 13.188 1.00 0.43 N ATOM 2460 CZ ARG B 85 2.987 -15.033 14.175 1.00 0.44 C ATOM 2461 NH1 ARG B 85 2.629 -15.693 15.242 1.00 0.49 N ATOM 2462 NH2 ARG B 85 4.186 -14.525 14.094 1.00 0.52 N ATOM 0 H ARG B 85 3.715 -10.306 10.934 1.00 0.37 H new ATOM 0 HA ARG B 85 1.342 -11.498 9.783 1.00 0.38 H new ATOM 0 HB2 ARG B 85 3.205 -12.298 11.501 1.00 0.43 H new ATOM 0 HB3 ARG B 85 2.222 -11.489 12.706 1.00 0.43 H new ATOM 0 HG2 ARG B 85 0.249 -12.879 11.445 1.00 0.47 H new ATOM 0 HG3 ARG B 85 1.592 -13.943 11.076 1.00 0.47 H new ATOM 0 HD2 ARG B 85 1.484 -12.983 13.923 1.00 0.48 H new ATOM 0 HD3 ARG B 85 0.186 -14.061 13.450 1.00 0.48 H new ATOM 0 HE ARG B 85 2.141 -15.546 12.415 1.00 0.43 H new ATOM 0 HH11 ARG B 85 1.692 -16.090 15.305 1.00 0.49 H new ATOM 0 HH12 ARG B 85 3.286 -15.812 16.013 1.00 0.49 H new ATOM 0 HH21 ARG B 85 4.466 -14.009 13.260 1.00 0.52 H new ATOM 0 HH22 ARG B 85 4.843 -14.644 14.865 1.00 0.52 H new ATOM 2476 N LYS B 86 0.891 -9.122 11.992 1.00 0.36 N ATOM 2477 CA LYS B 86 -0.165 -8.224 12.540 1.00 0.35 C ATOM 2478 C LYS B 86 -0.588 -7.235 11.455 1.00 0.31 C ATOM 2479 O LYS B 86 -1.737 -6.844 11.370 1.00 0.33 O ATOM 2480 CB LYS B 86 0.489 -7.495 13.714 1.00 0.42 C ATOM 2481 CG LYS B 86 -0.564 -6.660 14.446 1.00 0.46 C ATOM 2482 CD LYS B 86 -1.624 -7.585 15.051 1.00 0.63 C ATOM 2483 CE LYS B 86 -2.836 -7.659 14.118 1.00 0.72 C ATOM 2484 NZ LYS B 86 -4.020 -7.596 15.019 1.00 0.91 N ATOM 0 H LYS B 86 1.844 -8.891 12.271 1.00 0.36 H new ATOM 0 HA LYS B 86 -1.055 -8.765 12.861 1.00 0.35 H new ATOM 0 HB2 LYS B 86 0.938 -8.215 14.398 1.00 0.42 H new ATOM 0 HB3 LYS B 86 1.293 -6.852 13.355 1.00 0.42 H new ATOM 0 HG2 LYS B 86 -0.092 -6.069 15.231 1.00 0.46 H new ATOM 0 HG3 LYS B 86 -1.031 -5.958 13.755 1.00 0.46 H new ATOM 0 HD2 LYS B 86 -1.208 -8.581 15.202 1.00 0.63 H new ATOM 0 HD3 LYS B 86 -1.928 -7.214 16.030 1.00 0.63 H new ATOM 0 HE2 LYS B 86 -2.837 -6.833 13.406 1.00 0.72 H new ATOM 0 HE3 LYS B 86 -2.831 -8.581 13.537 1.00 0.72 H new ATOM 0 HZ1 LYS B 86 -4.891 -7.641 14.452 1.00 0.91 H new ATOM 0 HZ2 LYS B 86 -3.996 -8.398 15.681 1.00 0.91 H new ATOM 0 HZ3 LYS B 86 -4.002 -6.705 15.554 1.00 0.91 H new ATOM 2498 N GLU B 87 0.337 -6.844 10.613 1.00 0.32 N ATOM 2499 CA GLU B 87 0.003 -5.896 9.510 1.00 0.31 C ATOM 2500 C GLU B 87 -0.922 -6.593 8.513 1.00 0.29 C ATOM 2501 O GLU B 87 -1.840 -5.998 7.981 1.00 0.30 O ATOM 2502 CB GLU B 87 1.342 -5.549 8.855 1.00 0.37 C ATOM 2503 CG GLU B 87 1.942 -4.318 9.538 1.00 0.46 C ATOM 2504 CD GLU B 87 2.787 -3.536 8.531 1.00 0.52 C ATOM 2505 OE1 GLU B 87 3.712 -4.117 7.987 1.00 0.76 O ATOM 2506 OE2 GLU B 87 2.496 -2.370 8.322 1.00 0.94 O ATOM 0 H GLU B 87 1.312 -7.143 10.644 1.00 0.32 H new ATOM 0 HA GLU B 87 -0.508 -5.000 9.863 1.00 0.31 H new ATOM 0 HB2 GLU B 87 2.027 -6.393 8.935 1.00 0.37 H new ATOM 0 HB3 GLU B 87 1.199 -5.355 7.792 1.00 0.37 H new ATOM 0 HG2 GLU B 87 1.147 -3.684 9.932 1.00 0.46 H new ATOM 0 HG3 GLU B 87 2.556 -4.622 10.385 1.00 0.46 H new ATOM 2513 N ILE B 88 -0.694 -7.861 8.275 1.00 0.30 N ATOM 2514 CA ILE B 88 -1.569 -8.615 7.333 1.00 0.30 C ATOM 2515 C ILE B 88 -2.938 -8.817 7.995 1.00 0.28 C ATOM 2516 O ILE B 88 -3.973 -8.672 7.367 1.00 0.28 O ATOM 2517 CB ILE B 88 -0.831 -9.944 7.076 1.00 0.35 C ATOM 2518 CG1 ILE B 88 -0.880 -10.271 5.580 1.00 0.44 C ATOM 2519 CG2 ILE B 88 -1.472 -11.092 7.866 1.00 0.35 C ATOM 2520 CD1 ILE B 88 0.460 -9.915 4.933 1.00 0.69 C ATOM 0 H ILE B 88 0.061 -8.404 8.694 1.00 0.30 H new ATOM 0 HA ILE B 88 -1.751 -8.102 6.389 1.00 0.30 H new ATOM 0 HB ILE B 88 0.203 -9.833 7.404 1.00 0.35 H new ATOM 0 HG12 ILE B 88 -1.095 -11.330 5.436 1.00 0.44 H new ATOM 0 HG13 ILE B 88 -1.686 -9.714 5.102 1.00 0.44 H new ATOM 0 HG21 ILE B 88 -0.932 -12.017 7.666 1.00 0.35 H new ATOM 0 HG22 ILE B 88 -1.428 -10.869 8.932 1.00 0.35 H new ATOM 0 HG23 ILE B 88 -2.512 -11.206 7.562 1.00 0.35 H new ATOM 0 HD11 ILE B 88 0.424 -10.148 3.869 1.00 0.69 H new ATOM 0 HD12 ILE B 88 0.656 -8.851 5.065 1.00 0.69 H new ATOM 0 HD13 ILE B 88 1.256 -10.492 5.404 1.00 0.69 H new ATOM 2532 N GLY B 89 -2.945 -9.114 9.274 1.00 0.29 N ATOM 2533 CA GLY B 89 -4.238 -9.289 9.997 1.00 0.30 C ATOM 2534 C GLY B 89 -5.003 -7.971 9.917 1.00 0.28 C ATOM 2535 O GLY B 89 -6.216 -7.941 9.806 1.00 0.32 O ATOM 0 H GLY B 89 -2.109 -9.242 9.845 1.00 0.29 H new ATOM 0 HA2 GLY B 89 -4.819 -10.095 9.549 1.00 0.30 H new ATOM 0 HA3 GLY B 89 -4.060 -9.564 11.037 1.00 0.30 H new ATOM 2539 N ARG B 90 -4.288 -6.876 9.948 1.00 0.29 N ATOM 2540 CA ARG B 90 -4.947 -5.547 9.848 1.00 0.31 C ATOM 2541 C ARG B 90 -5.522 -5.380 8.444 1.00 0.29 C ATOM 2542 O ARG B 90 -6.589 -4.822 8.268 1.00 0.32 O ATOM 2543 CB ARG B 90 -3.837 -4.525 10.093 1.00 0.35 C ATOM 2544 CG ARG B 90 -3.687 -4.273 11.592 1.00 0.42 C ATOM 2545 CD ARG B 90 -2.446 -3.413 11.835 1.00 0.54 C ATOM 2546 NE ARG B 90 -2.492 -3.066 13.284 1.00 0.97 N ATOM 2547 CZ ARG B 90 -1.622 -2.231 13.783 1.00 1.07 C ATOM 2548 NH1 ARG B 90 -1.553 -1.010 13.327 1.00 1.35 N ATOM 2549 NH2 ARG B 90 -0.819 -2.618 14.736 1.00 1.24 N ATOM 0 H ARG B 90 -3.272 -6.849 10.039 1.00 0.29 H new ATOM 0 HA ARG B 90 -5.763 -5.428 10.561 1.00 0.31 H new ATOM 0 HB2 ARG B 90 -2.896 -4.890 9.680 1.00 0.35 H new ATOM 0 HB3 ARG B 90 -4.069 -3.592 9.580 1.00 0.35 H new ATOM 0 HG2 ARG B 90 -4.574 -3.771 11.979 1.00 0.42 H new ATOM 0 HG3 ARG B 90 -3.598 -5.220 12.125 1.00 0.42 H new ATOM 0 HD2 ARG B 90 -1.535 -3.958 11.589 1.00 0.54 H new ATOM 0 HD3 ARG B 90 -2.459 -2.517 11.214 1.00 0.54 H new ATOM 0 HE ARG B 90 -3.203 -3.481 13.885 1.00 0.97 H new ATOM 0 HH11 ARG B 90 -2.179 -0.708 12.580 1.00 1.35 H new ATOM 0 HH12 ARG B 90 -0.873 -0.358 13.717 1.00 1.35 H new ATOM 0 HH21 ARG B 90 -0.871 -3.573 15.091 1.00 1.24 H new ATOM 0 HH22 ARG B 90 -0.139 -1.966 15.126 1.00 1.24 H new ATOM 2563 N MET B 91 -4.827 -5.887 7.444 1.00 0.27 N ATOM 2564 CA MET B 91 -5.331 -5.781 6.042 1.00 0.27 C ATOM 2565 C MET B 91 -6.701 -6.435 5.978 1.00 0.26 C ATOM 2566 O MET B 91 -7.618 -5.933 5.357 1.00 0.28 O ATOM 2567 CB MET B 91 -4.316 -6.540 5.179 1.00 0.31 C ATOM 2568 CG MET B 91 -3.978 -5.710 3.940 1.00 0.50 C ATOM 2569 SD MET B 91 -2.842 -6.641 2.881 1.00 0.68 S ATOM 2570 CE MET B 91 -1.357 -6.425 3.892 1.00 0.77 C ATOM 0 H MET B 91 -3.933 -6.368 7.545 1.00 0.27 H new ATOM 0 HA MET B 91 -5.432 -4.752 5.697 1.00 0.27 H new ATOM 0 HB2 MET B 91 -3.412 -6.740 5.754 1.00 0.31 H new ATOM 0 HB3 MET B 91 -4.725 -7.506 4.882 1.00 0.31 H new ATOM 0 HG2 MET B 91 -4.888 -5.469 3.391 1.00 0.50 H new ATOM 0 HG3 MET B 91 -3.524 -4.764 4.236 1.00 0.50 H new ATOM 0 HE1 MET B 91 -0.661 -5.761 3.379 1.00 0.77 H new ATOM 0 HE2 MET B 91 -1.631 -5.991 4.854 1.00 0.77 H new ATOM 0 HE3 MET B 91 -0.882 -7.393 4.053 1.00 0.77 H new ATOM 2580 N LEU B 92 -6.846 -7.538 6.660 1.00 0.30 N ATOM 2581 CA LEU B 92 -8.160 -8.230 6.695 1.00 0.34 C ATOM 2582 C LEU B 92 -9.169 -7.304 7.346 1.00 0.34 C ATOM 2583 O LEU B 92 -10.275 -7.144 6.865 1.00 0.37 O ATOM 2584 CB LEU B 92 -7.920 -9.477 7.522 1.00 0.41 C ATOM 2585 CG LEU B 92 -6.941 -10.347 6.752 1.00 0.45 C ATOM 2586 CD1 LEU B 92 -6.092 -11.167 7.729 1.00 0.53 C ATOM 2587 CD2 LEU B 92 -7.714 -11.288 5.823 1.00 0.53 C ATOM 0 H LEU B 92 -6.105 -7.990 7.196 1.00 0.30 H new ATOM 0 HA LEU B 92 -8.550 -8.492 5.712 1.00 0.34 H new ATOM 0 HB2 LEU B 92 -7.516 -9.217 8.501 1.00 0.41 H new ATOM 0 HB3 LEU B 92 -8.855 -10.010 7.694 1.00 0.41 H new ATOM 0 HG LEU B 92 -6.285 -9.711 6.159 1.00 0.45 H new ATOM 0 HD11 LEU B 92 -5.392 -11.788 7.170 1.00 0.53 H new ATOM 0 HD12 LEU B 92 -5.537 -10.494 8.383 1.00 0.53 H new ATOM 0 HD13 LEU B 92 -6.742 -11.803 8.330 1.00 0.53 H new ATOM 0 HD21 LEU B 92 -7.011 -11.912 5.271 1.00 0.53 H new ATOM 0 HD22 LEU B 92 -8.375 -11.922 6.415 1.00 0.53 H new ATOM 0 HD23 LEU B 92 -8.307 -10.701 5.122 1.00 0.53 H new ATOM 2599 N ASN B 93 -8.771 -6.649 8.411 1.00 0.35 N ATOM 2600 CA ASN B 93 -9.689 -5.677 9.066 1.00 0.40 C ATOM 2601 C ASN B 93 -10.129 -4.658 8.011 1.00 0.39 C ATOM 2602 O ASN B 93 -11.190 -4.070 8.102 1.00 0.47 O ATOM 2603 CB ASN B 93 -8.861 -5.003 10.165 1.00 0.42 C ATOM 2604 CG ASN B 93 -9.628 -5.056 11.489 1.00 0.54 C ATOM 2605 OD1 ASN B 93 -10.455 -4.208 11.760 1.00 0.73 O ATOM 2606 ND2 ASN B 93 -9.385 -6.023 12.331 1.00 0.78 N ATOM 0 H ASN B 93 -7.855 -6.748 8.849 1.00 0.35 H new ATOM 0 HA ASN B 93 -10.581 -6.141 9.488 1.00 0.40 H new ATOM 0 HB2 ASN B 93 -7.899 -5.505 10.270 1.00 0.42 H new ATOM 0 HB3 ASN B 93 -8.653 -3.968 9.895 1.00 0.42 H new ATOM 0 HD21 ASN B 93 -9.889 -6.067 13.217 1.00 0.78 H new ATOM 0 HD22 ASN B 93 -8.691 -6.735 12.104 1.00 0.78 H new ATOM 2613 N ILE B 94 -9.315 -4.473 6.991 1.00 0.34 N ATOM 2614 CA ILE B 94 -9.680 -3.519 5.901 1.00 0.39 C ATOM 2615 C ILE B 94 -10.533 -4.230 4.845 1.00 0.37 C ATOM 2616 O ILE B 94 -11.458 -3.649 4.310 1.00 0.44 O ATOM 2617 CB ILE B 94 -8.369 -3.030 5.255 1.00 0.41 C ATOM 2618 CG1 ILE B 94 -7.254 -2.936 6.307 1.00 0.43 C ATOM 2619 CG2 ILE B 94 -8.609 -1.653 4.620 1.00 0.55 C ATOM 2620 CD1 ILE B 94 -6.048 -2.171 5.747 1.00 0.59 C ATOM 0 H ILE B 94 -8.418 -4.943 6.872 1.00 0.34 H new ATOM 0 HA ILE B 94 -10.253 -2.684 6.304 1.00 0.39 H new ATOM 0 HB ILE B 94 -8.057 -3.741 4.489 1.00 0.41 H new ATOM 0 HG12 ILE B 94 -7.629 -2.433 7.198 1.00 0.43 H new ATOM 0 HG13 ILE B 94 -6.948 -3.937 6.611 1.00 0.43 H new ATOM 0 HG21 ILE B 94 -7.686 -1.299 4.160 1.00 0.55 H new ATOM 0 HG22 ILE B 94 -9.386 -1.733 3.860 1.00 0.55 H new ATOM 0 HG23 ILE B 94 -8.925 -0.948 5.389 1.00 0.55 H new ATOM 0 HD11 ILE B 94 -5.268 -2.115 6.507 1.00 0.59 H new ATOM 0 HD12 ILE B 94 -5.663 -2.691 4.870 1.00 0.59 H new ATOM 0 HD13 ILE B 94 -6.355 -1.163 5.466 1.00 0.59 H new ATOM 2632 N LEU B 95 -10.231 -5.474 4.518 1.00 0.33 N ATOM 2633 CA LEU B 95 -11.053 -6.162 3.468 1.00 0.37 C ATOM 2634 C LEU B 95 -12.202 -6.966 4.091 1.00 0.48 C ATOM 2635 O LEU B 95 -12.843 -7.755 3.423 1.00 0.60 O ATOM 2636 CB LEU B 95 -10.091 -7.071 2.695 1.00 0.37 C ATOM 2637 CG LEU B 95 -9.389 -8.032 3.649 1.00 0.43 C ATOM 2638 CD1 LEU B 95 -9.926 -9.449 3.441 1.00 0.68 C ATOM 2639 CD2 LEU B 95 -7.882 -8.008 3.372 1.00 0.55 C ATOM 0 H LEU B 95 -9.473 -6.025 4.921 1.00 0.33 H new ATOM 0 HA LEU B 95 -11.523 -5.436 2.805 1.00 0.37 H new ATOM 0 HB2 LEU B 95 -10.639 -7.634 1.940 1.00 0.37 H new ATOM 0 HB3 LEU B 95 -9.353 -6.466 2.168 1.00 0.37 H new ATOM 0 HG LEU B 95 -9.577 -7.725 4.678 1.00 0.43 H new ATOM 0 HD11 LEU B 95 -9.422 -10.133 4.124 1.00 0.68 H new ATOM 0 HD12 LEU B 95 -10.998 -9.464 3.637 1.00 0.68 H new ATOM 0 HD13 LEU B 95 -9.741 -9.761 2.413 1.00 0.68 H new ATOM 0 HD21 LEU B 95 -7.376 -8.694 4.052 1.00 0.55 H new ATOM 0 HD22 LEU B 95 -7.696 -8.315 2.343 1.00 0.55 H new ATOM 0 HD23 LEU B 95 -7.500 -6.999 3.524 1.00 0.55 H new ATOM 2651 N ASN B 96 -12.483 -6.753 5.354 1.00 0.51 N ATOM 2652 CA ASN B 96 -13.612 -7.484 6.010 1.00 0.69 C ATOM 2653 C ASN B 96 -14.696 -6.490 6.446 1.00 0.78 C ATOM 2654 O ASN B 96 -15.817 -6.868 6.730 1.00 0.91 O ATOM 2655 CB ASN B 96 -13.002 -8.178 7.227 1.00 0.82 C ATOM 2656 CG ASN B 96 -12.276 -9.447 6.776 1.00 0.97 C ATOM 2657 OD1 ASN B 96 -11.114 -9.735 7.289 1.00 1.29 O flip ATOM 2658 ND2 ASN B 96 -12.773 -10.184 5.948 1.00 0.93 N flip ATOM 0 H ASN B 96 -11.979 -6.104 5.959 1.00 0.51 H new ATOM 0 HA ASN B 96 -14.081 -8.200 5.336 1.00 0.69 H new ATOM 0 HB2 ASN B 96 -12.306 -7.507 7.731 1.00 0.82 H new ATOM 0 HB3 ASN B 96 -13.782 -8.428 7.946 1.00 0.82 H new ATOM 0 HD21 ASN B 96 -13.683 -9.959 5.546 1.00 0.93 H new ATOM 0 HD22 ASN B 96 -12.280 -11.028 5.655 1.00 0.93 H new