USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 689 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 78 SER OG : rot 180:sc= 0.00813 USER MOD Set 1.2: A 79 ASN : amide:sc= 0.00394 X(o=0.012,f=0) USER MOD Set 2.1: A 62 MET CE :methyl 156:sc= -2.32! (180deg=-0.706) USER MOD Set 2.2: A 72 GLN : amide:sc= -1.82 K(o=-4.1,f=-1.6) USER MOD Single : A 26 THR OG1 : rot 19:sc= 0.446 USER MOD Single : A 31 LYS NZ :NH3+ 164:sc= -0.0476 (180deg=-0.315) USER MOD Single : A 36 LYS NZ :NH3+ 166:sc= -0.0203 (180deg=-0.282) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 112:sc= 0.331 USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 45 LYS NZ :NH3+ -130:sc= 1.26 (180deg=-0.458) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot -93:sc= -1.22 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl -128:sc=-0.00593 (180deg=-4.48!) USER MOD Single : A 51 LYS NZ :NH3+ -167:sc= -0.0113 (180deg=-0.243) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -4.87! C(o=-4.9!,f=-7.9!) USER MOD Single : A 60 TYR OH : rot -15:sc= -3.14! USER MOD Single : A 63 THR OG1 : rot 96:sc= 1.22 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 73 HIS : no HD1:sc= -4.72! C(o=-4.7!,f=-7.7!) USER MOD Single : A 76 TYR OH : rot 180:sc=-0.00965 USER MOD Single : A 77 CYS SG : rot 31:sc= 0.679 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -149:sc= -2.44! (180deg=-4.67!) USER MOD Single : A 96 HIS : no HD1:sc=-0.000558 X(o=-0.00056,f=-0.076) USER MOD Single : A 98 LYS NZ :NH3+ 166:sc= -0.0326 (180deg=-0.28) USER MOD Single : A 100 TYR OH : rot 120:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 MET CE :methyl -116:sc= -5.08! (180deg=-9.52!) USER MOD Single : A 104 TYR OH : rot 63:sc= -0.651 USER MOD ----------------------------------------------------------------- ATOM 347 N THR A 26 -11.580 2.606 -0.753 1.00 0.00 N ATOM 348 CA THR A 26 -11.880 1.180 -0.840 1.00 0.00 C ATOM 349 C THR A 26 -11.667 0.519 0.502 1.00 0.00 C ATOM 350 O THR A 26 -10.770 0.901 1.254 1.00 0.00 O ATOM 351 CB THR A 26 -11.005 0.451 -1.873 1.00 0.00 C ATOM 352 OG1 THR A 26 -10.674 1.331 -2.955 1.00 0.00 O ATOM 353 CG2 THR A 26 -11.718 -0.774 -2.414 1.00 0.00 C ATOM 0 HA THR A 26 -12.921 1.106 -1.154 1.00 0.00 H new ATOM 0 HB THR A 26 -10.089 0.133 -1.375 1.00 0.00 H new ATOM 0 HG1 THR A 26 -10.814 2.260 -2.676 1.00 0.00 H new ATOM 0 HG21 THR A 26 -11.080 -1.274 -3.143 1.00 0.00 H new ATOM 0 HG22 THR A 26 -11.938 -1.458 -1.595 1.00 0.00 H new ATOM 0 HG23 THR A 26 -12.649 -0.471 -2.894 1.00 0.00 H new ATOM 361 N LEU A 27 -12.435 -0.522 0.773 1.00 0.00 N ATOM 362 CA LEU A 27 -12.042 -1.466 1.781 1.00 0.00 C ATOM 363 C LEU A 27 -11.387 -2.664 1.143 1.00 0.00 C ATOM 364 O LEU A 27 -11.908 -3.240 0.189 1.00 0.00 O ATOM 365 CB LEU A 27 -13.217 -1.916 2.616 1.00 0.00 C ATOM 366 CG LEU A 27 -12.809 -2.363 4.004 1.00 0.00 C ATOM 367 CD1 LEU A 27 -13.571 -1.588 5.038 1.00 0.00 C ATOM 368 CD2 LEU A 27 -13.004 -3.853 4.179 1.00 0.00 C ATOM 0 H LEU A 27 -13.321 -0.726 0.311 1.00 0.00 H new ATOM 0 HA LEU A 27 -11.332 -0.965 2.439 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.934 -1.099 2.698 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -13.725 -2.736 2.109 1.00 0.00 H new ATOM 0 HG LEU A 27 -11.746 -2.160 4.135 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -13.271 -1.916 6.033 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -13.357 -0.525 4.927 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -14.639 -1.759 4.906 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -12.702 -4.144 5.185 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -14.054 -4.103 4.029 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -12.396 -4.388 3.449 1.00 0.00 H new ATOM 380 N VAL A 28 -10.212 -2.993 1.630 1.00 0.00 N ATOM 381 CA VAL A 28 -9.322 -3.850 0.890 1.00 0.00 C ATOM 382 C VAL A 28 -9.249 -5.222 1.497 1.00 0.00 C ATOM 383 O VAL A 28 -9.129 -5.382 2.712 1.00 0.00 O ATOM 384 CB VAL A 28 -7.925 -3.246 0.802 1.00 0.00 C ATOM 385 CG1 VAL A 28 -6.908 -4.288 0.370 1.00 0.00 C ATOM 386 CG2 VAL A 28 -7.957 -2.084 -0.160 1.00 0.00 C ATOM 0 H VAL A 28 -9.854 -2.680 2.532 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.728 -3.941 -0.117 1.00 0.00 H new ATOM 0 HB VAL A 28 -7.620 -2.891 1.786 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.920 -3.831 0.315 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.891 -5.102 1.094 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.182 -4.679 -0.610 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.963 -1.643 -0.231 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -8.270 -2.434 -1.143 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.661 -1.334 0.199 1.00 0.00 H new ATOM 396 N ARG A 29 -9.332 -6.214 0.637 1.00 0.00 N ATOM 397 CA ARG A 29 -9.320 -7.583 1.080 1.00 0.00 C ATOM 398 C ARG A 29 -9.079 -8.535 -0.091 1.00 0.00 C ATOM 399 O ARG A 29 -9.938 -9.348 -0.431 1.00 0.00 O ATOM 400 CB ARG A 29 -10.641 -7.915 1.774 1.00 0.00 C ATOM 401 CG ARG A 29 -11.844 -7.252 1.119 1.00 0.00 C ATOM 402 CD ARG A 29 -13.149 -7.727 1.735 1.00 0.00 C ATOM 403 NE ARG A 29 -13.319 -9.172 1.613 1.00 0.00 N ATOM 404 CZ ARG A 29 -14.343 -9.841 2.133 1.00 0.00 C ATOM 405 NH1 ARG A 29 -15.287 -9.197 2.807 1.00 0.00 N ATOM 406 NH2 ARG A 29 -14.428 -11.154 1.976 1.00 0.00 N ATOM 0 H ARG A 29 -9.408 -6.094 -0.373 1.00 0.00 H new ATOM 0 HA ARG A 29 -8.502 -7.710 1.789 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -10.784 -8.996 1.772 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -10.585 -7.603 2.817 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -11.765 -6.170 1.223 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -11.844 -7.471 0.051 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -13.176 -7.447 2.788 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -13.984 -7.222 1.249 1.00 0.00 H new ATOM 0 HE ARG A 29 -12.612 -9.698 1.100 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -15.228 -8.186 2.927 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -16.072 -9.713 3.205 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -13.707 -11.653 1.455 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -15.215 -11.666 2.376 1.00 0.00 H new ATOM 420 N PRO A 30 -7.918 -8.405 -0.754 1.00 0.00 N ATOM 421 CA PRO A 30 -7.662 -9.008 -2.054 1.00 0.00 C ATOM 422 C PRO A 30 -6.992 -10.376 -1.948 1.00 0.00 C ATOM 423 O PRO A 30 -5.923 -10.595 -2.521 1.00 0.00 O ATOM 424 CB PRO A 30 -6.714 -7.998 -2.719 1.00 0.00 C ATOM 425 CG PRO A 30 -6.253 -7.066 -1.628 1.00 0.00 C ATOM 426 CD PRO A 30 -6.770 -7.615 -0.323 1.00 0.00 C ATOM 0 HA PRO A 30 -8.582 -9.192 -2.608 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -5.867 -8.506 -3.180 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -7.225 -7.448 -3.510 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -5.165 -7.000 -1.613 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -6.631 -6.058 -1.798 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -6.024 -8.225 0.186 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.058 -6.822 0.367 1.00 0.00 H new ATOM 434 N LYS A 31 -7.629 -11.291 -1.221 1.00 0.00 N ATOM 435 CA LYS A 31 -7.112 -12.649 -1.066 1.00 0.00 C ATOM 436 C LYS A 31 -5.768 -12.643 -0.335 1.00 0.00 C ATOM 437 O LYS A 31 -5.043 -11.651 -0.365 1.00 0.00 O ATOM 438 CB LYS A 31 -6.963 -13.323 -2.432 1.00 0.00 C ATOM 439 CG LYS A 31 -8.274 -13.451 -3.194 1.00 0.00 C ATOM 440 CD LYS A 31 -8.080 -14.142 -4.535 1.00 0.00 C ATOM 441 CE LYS A 31 -7.630 -15.585 -4.363 1.00 0.00 C ATOM 442 NZ LYS A 31 -8.616 -16.385 -3.584 1.00 0.00 N ATOM 0 H LYS A 31 -8.505 -11.117 -0.729 1.00 0.00 H new ATOM 0 HA LYS A 31 -7.826 -13.215 -0.468 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.256 -12.752 -3.034 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.535 -14.316 -2.293 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.990 -14.014 -2.595 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.701 -12.461 -3.353 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.014 -14.116 -5.096 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -7.340 -13.597 -5.122 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.487 -16.040 -5.343 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.665 -15.606 -3.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.422 -17.398 -3.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.538 -16.145 -2.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.578 -16.171 -3.918 1.00 0.00 H new ATOM 456 N PRO A 32 -5.426 -13.757 0.344 1.00 0.00 N ATOM 457 CA PRO A 32 -4.190 -13.859 1.131 1.00 0.00 C ATOM 458 C PRO A 32 -2.940 -13.586 0.299 1.00 0.00 C ATOM 459 O PRO A 32 -2.291 -14.515 -0.185 1.00 0.00 O ATOM 460 CB PRO A 32 -4.194 -15.307 1.629 1.00 0.00 C ATOM 461 CG PRO A 32 -5.623 -15.726 1.578 1.00 0.00 C ATOM 462 CD PRO A 32 -6.223 -14.996 0.410 1.00 0.00 C ATOM 0 HA PRO A 32 -4.163 -13.120 1.932 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -3.573 -15.943 0.999 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -3.797 -15.378 2.642 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -5.710 -16.805 1.451 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -6.138 -15.472 2.504 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -6.145 -15.575 -0.510 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.281 -14.787 0.566 1.00 0.00 H new ATOM 470 N LEU A 33 -2.602 -12.308 0.152 1.00 0.00 N ATOM 471 CA LEU A 33 -1.390 -11.904 -0.555 1.00 0.00 C ATOM 472 C LEU A 33 -1.196 -10.395 -0.469 1.00 0.00 C ATOM 473 O LEU A 33 -0.145 -9.870 -0.842 1.00 0.00 O ATOM 474 CB LEU A 33 -1.441 -12.360 -2.018 1.00 0.00 C ATOM 475 CG LEU A 33 -2.747 -12.051 -2.756 1.00 0.00 C ATOM 476 CD1 LEU A 33 -2.771 -10.605 -3.224 1.00 0.00 C ATOM 477 CD2 LEU A 33 -2.929 -12.998 -3.932 1.00 0.00 C ATOM 0 H LEU A 33 -3.154 -11.531 0.515 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.538 -12.386 -0.076 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.619 -11.889 -2.557 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.270 -13.436 -2.052 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.576 -12.198 -2.063 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.707 -10.407 -3.746 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.688 -9.942 -2.363 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.934 -10.427 -3.900 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.862 -12.765 -4.446 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.095 -12.883 -4.624 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.961 -14.026 -3.570 1.00 0.00 H new ATOM 489 N LEU A 34 -2.195 -9.709 0.077 1.00 0.00 N ATOM 490 CA LEU A 34 -2.034 -8.330 0.518 1.00 0.00 C ATOM 491 C LEU A 34 -1.981 -8.279 2.035 1.00 0.00 C ATOM 492 O LEU A 34 -1.681 -7.241 2.625 1.00 0.00 O ATOM 493 CB LEU A 34 -3.191 -7.464 0.011 1.00 0.00 C ATOM 494 CG LEU A 34 -2.856 -6.552 -1.172 1.00 0.00 C ATOM 495 CD1 LEU A 34 -1.776 -5.554 -0.789 1.00 0.00 C ATOM 496 CD2 LEU A 34 -2.428 -7.376 -2.375 1.00 0.00 C ATOM 0 H LEU A 34 -3.130 -10.090 0.225 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.102 -7.940 0.109 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.014 -8.118 -0.278 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.549 -6.846 0.835 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.753 -5.994 -1.442 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.552 -4.915 -1.643 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.125 -4.941 0.041 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.875 -6.090 -0.490 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.194 -6.711 -3.207 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.545 -7.962 -2.119 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.238 -8.046 -2.663 1.00 0.00 H new ATOM 508 N LEU A 35 -2.294 -9.409 2.658 1.00 0.00 N ATOM 509 CA LEU A 35 -2.393 -9.480 4.106 1.00 0.00 C ATOM 510 C LEU A 35 -1.384 -10.474 4.667 1.00 0.00 C ATOM 511 O LEU A 35 -0.878 -10.301 5.772 1.00 0.00 O ATOM 512 CB LEU A 35 -3.812 -9.866 4.519 1.00 0.00 C ATOM 513 CG LEU A 35 -4.882 -9.575 3.467 1.00 0.00 C ATOM 514 CD1 LEU A 35 -5.018 -10.758 2.522 1.00 0.00 C ATOM 515 CD2 LEU A 35 -6.212 -9.253 4.129 1.00 0.00 C ATOM 0 H LEU A 35 -2.484 -10.289 2.179 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.165 -8.497 4.517 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.831 -10.930 4.753 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.067 -9.333 5.435 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.577 -8.703 2.888 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.783 -10.542 1.776 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.065 -10.937 2.024 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.304 -11.645 3.088 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.960 -9.049 3.363 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -6.533 -10.102 4.732 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.098 -8.377 4.767 1.00 0.00 H new ATOM 527 N LYS A 36 -1.025 -11.464 3.858 1.00 0.00 N ATOM 528 CA LYS A 36 0.254 -12.137 4.018 1.00 0.00 C ATOM 529 C LYS A 36 1.381 -11.122 3.878 1.00 0.00 C ATOM 530 O LYS A 36 2.523 -11.376 4.257 1.00 0.00 O ATOM 531 CB LYS A 36 0.408 -13.243 2.972 1.00 0.00 C ATOM 532 CG LYS A 36 -0.597 -14.375 3.126 1.00 0.00 C ATOM 533 CD LYS A 36 -0.409 -15.116 4.441 1.00 0.00 C ATOM 534 CE LYS A 36 -1.413 -16.247 4.591 1.00 0.00 C ATOM 535 NZ LYS A 36 -1.286 -17.250 3.497 1.00 0.00 N ATOM 0 H LYS A 36 -1.598 -11.815 3.091 1.00 0.00 H new ATOM 0 HA LYS A 36 0.298 -12.591 5.008 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.302 -12.808 1.978 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.416 -13.653 3.035 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.609 -13.973 3.076 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.490 -15.073 2.296 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.603 -15.517 4.492 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.518 -14.419 5.272 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.266 -16.738 5.553 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.423 -15.838 4.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -1.809 -18.111 3.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.677 -16.856 2.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.283 -17.484 3.355 1.00 0.00 H new ATOM 549 N LEU A 37 1.025 -9.962 3.340 1.00 0.00 N ATOM 550 CA LEU A 37 1.941 -8.845 3.205 1.00 0.00 C ATOM 551 C LEU A 37 1.966 -8.028 4.495 1.00 0.00 C ATOM 552 O LEU A 37 3.027 -7.617 4.963 1.00 0.00 O ATOM 553 CB LEU A 37 1.485 -7.981 2.020 1.00 0.00 C ATOM 554 CG LEU A 37 2.460 -6.898 1.555 1.00 0.00 C ATOM 555 CD1 LEU A 37 2.642 -5.851 2.633 1.00 0.00 C ATOM 556 CD2 LEU A 37 3.795 -7.505 1.161 1.00 0.00 C ATOM 0 H LEU A 37 0.088 -9.773 2.985 1.00 0.00 H new ATOM 0 HA LEU A 37 2.952 -9.208 3.021 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.278 -8.639 1.176 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.544 -7.501 2.289 1.00 0.00 H new ATOM 0 HG LEU A 37 2.039 -6.414 0.674 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.339 -5.088 2.285 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.681 -5.389 2.858 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.038 -6.321 3.533 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.471 -6.715 0.834 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.227 -8.021 2.018 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.646 -8.215 0.348 1.00 0.00 H new ATOM 568 N LEU A 38 0.783 -7.773 5.046 1.00 0.00 N ATOM 569 CA LEU A 38 0.634 -6.819 6.142 1.00 0.00 C ATOM 570 C LEU A 38 0.625 -7.519 7.498 1.00 0.00 C ATOM 571 O LEU A 38 1.366 -7.139 8.403 1.00 0.00 O ATOM 572 CB LEU A 38 -0.657 -6.021 5.968 1.00 0.00 C ATOM 573 CG LEU A 38 -0.732 -5.167 4.704 1.00 0.00 C ATOM 574 CD1 LEU A 38 -2.042 -4.402 4.665 1.00 0.00 C ATOM 575 CD2 LEU A 38 0.446 -4.211 4.635 1.00 0.00 C ATOM 0 H LEU A 38 -0.088 -8.214 4.751 1.00 0.00 H new ATOM 0 HA LEU A 38 1.490 -6.145 6.114 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.497 -6.716 5.967 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.782 -5.371 6.834 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.688 -5.826 3.837 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.083 -3.797 3.759 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.874 -5.106 4.670 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.111 -3.753 5.538 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.375 -3.611 3.728 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.434 -3.555 5.506 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.376 -4.780 4.622 1.00 0.00 H new ATOM 587 N LYS A 39 -0.229 -8.530 7.636 1.00 0.00 N ATOM 588 CA LYS A 39 -0.352 -9.267 8.891 1.00 0.00 C ATOM 589 C LYS A 39 1.017 -9.657 9.439 1.00 0.00 C ATOM 590 O LYS A 39 1.173 -9.893 10.637 1.00 0.00 O ATOM 591 CB LYS A 39 -1.207 -10.522 8.691 1.00 0.00 C ATOM 592 CG LYS A 39 -2.638 -10.225 8.271 1.00 0.00 C ATOM 593 CD LYS A 39 -3.400 -11.500 7.948 1.00 0.00 C ATOM 594 CE LYS A 39 -4.846 -11.209 7.586 1.00 0.00 C ATOM 595 NZ LYS A 39 -5.599 -12.452 7.265 1.00 0.00 N ATOM 0 H LYS A 39 -0.847 -8.858 6.893 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.838 -8.612 9.615 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.739 -11.153 7.935 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.221 -11.093 9.619 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.149 -9.687 9.070 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.634 -9.571 7.399 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.914 -12.016 7.120 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.367 -12.172 8.806 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.331 -10.695 8.415 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.877 -10.534 6.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -6.581 -12.210 7.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.151 -12.930 6.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.591 -13.085 8.090 1.00 0.00 H new ATOM 609 N SER A 40 2.008 -9.712 8.554 1.00 0.00 N ATOM 610 CA SER A 40 3.377 -10.010 8.958 1.00 0.00 C ATOM 611 C SER A 40 3.967 -8.877 9.795 1.00 0.00 C ATOM 612 O SER A 40 4.493 -9.111 10.884 1.00 0.00 O ATOM 613 CB SER A 40 4.250 -10.256 7.725 1.00 0.00 C ATOM 614 OG SER A 40 3.761 -11.346 6.963 1.00 0.00 O ATOM 0 H SER A 40 1.888 -9.554 7.553 1.00 0.00 H new ATOM 0 HA SER A 40 3.357 -10.911 9.571 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.274 -9.358 7.107 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.275 -10.456 8.036 1.00 0.00 H new ATOM 0 HG SER A 40 3.412 -11.017 6.108 1.00 0.00 H new ATOM 620 N VAL A 41 3.901 -7.655 9.273 1.00 0.00 N ATOM 621 CA VAL A 41 4.560 -6.519 9.905 1.00 0.00 C ATOM 622 C VAL A 41 3.868 -6.123 11.209 1.00 0.00 C ATOM 623 O VAL A 41 4.460 -5.447 12.052 1.00 0.00 O ATOM 624 CB VAL A 41 4.625 -5.302 8.954 1.00 0.00 C ATOM 625 CG1 VAL A 41 3.241 -4.919 8.455 1.00 0.00 C ATOM 626 CG2 VAL A 41 5.284 -4.119 9.637 1.00 0.00 C ATOM 0 H VAL A 41 3.398 -7.428 8.415 1.00 0.00 H new ATOM 0 HA VAL A 41 5.578 -6.834 10.136 1.00 0.00 H new ATOM 0 HB VAL A 41 5.230 -5.588 8.093 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.319 -4.060 7.788 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.804 -5.759 7.915 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.606 -4.663 9.303 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.319 -3.274 8.949 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.710 -3.843 10.521 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.298 -4.388 9.932 1.00 0.00 H new ATOM 636 N GLY A 42 2.627 -6.568 11.391 1.00 0.00 N ATOM 637 CA GLY A 42 1.947 -6.341 12.657 1.00 0.00 C ATOM 638 C GLY A 42 0.463 -6.649 12.610 1.00 0.00 C ATOM 639 O GLY A 42 -0.106 -7.130 13.590 1.00 0.00 O ATOM 0 H GLY A 42 2.084 -7.077 10.693 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.414 -6.956 13.426 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.085 -5.301 12.953 1.00 0.00 H new ATOM 643 N ALA A 43 -0.175 -6.338 11.487 1.00 0.00 N ATOM 644 CA ALA A 43 -1.631 -6.389 11.398 1.00 0.00 C ATOM 645 C ALA A 43 -2.154 -7.805 11.620 1.00 0.00 C ATOM 646 O ALA A 43 -1.382 -8.764 11.637 1.00 0.00 O ATOM 647 CB ALA A 43 -2.094 -5.857 10.050 1.00 0.00 C ATOM 0 H ALA A 43 0.291 -6.048 10.627 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.038 -5.758 12.188 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.182 -5.900 9.996 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.766 -4.824 9.934 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.667 -6.465 9.253 1.00 0.00 H new ATOM 653 N GLN A 44 -3.469 -7.928 11.790 1.00 0.00 N ATOM 654 CA GLN A 44 -4.098 -9.229 11.997 1.00 0.00 C ATOM 655 C GLN A 44 -5.619 -9.098 12.078 1.00 0.00 C ATOM 656 O GLN A 44 -6.196 -9.117 13.168 1.00 0.00 O ATOM 657 CB GLN A 44 -3.564 -9.881 13.276 1.00 0.00 C ATOM 658 CG GLN A 44 -4.086 -11.290 13.508 1.00 0.00 C ATOM 659 CD GLN A 44 -3.539 -11.914 14.777 1.00 0.00 C ATOM 660 OE1 GLN A 44 -3.241 -11.217 15.746 1.00 0.00 O ATOM 661 NE2 GLN A 44 -3.404 -13.235 14.775 1.00 0.00 N ATOM 0 H GLN A 44 -4.119 -7.142 11.788 1.00 0.00 H new ATOM 0 HA GLN A 44 -3.851 -9.860 11.143 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -2.475 -9.909 13.232 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -3.832 -9.259 14.130 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -5.175 -11.266 13.560 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -3.821 -11.916 12.656 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -3.664 -13.773 13.948 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -3.040 -13.712 15.600 1.00 0.00 H new ATOM 670 N LYS A 45 -6.264 -8.992 10.920 1.00 0.00 N ATOM 671 CA LYS A 45 -7.723 -9.026 10.850 1.00 0.00 C ATOM 672 C LYS A 45 -8.186 -9.808 9.627 1.00 0.00 C ATOM 673 O LYS A 45 -7.407 -10.536 9.012 1.00 0.00 O ATOM 674 CB LYS A 45 -8.298 -7.608 10.801 1.00 0.00 C ATOM 675 CG LYS A 45 -7.759 -6.688 11.885 1.00 0.00 C ATOM 676 CD LYS A 45 -8.474 -5.345 11.889 1.00 0.00 C ATOM 677 CE LYS A 45 -8.234 -4.577 10.599 1.00 0.00 C ATOM 678 NZ LYS A 45 -8.982 -3.290 10.571 1.00 0.00 N ATOM 0 H LYS A 45 -5.801 -8.882 10.018 1.00 0.00 H new ATOM 0 HA LYS A 45 -8.087 -9.524 11.748 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.080 -7.172 9.826 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.383 -7.663 10.891 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.875 -7.165 12.858 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.691 -6.532 11.732 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.544 -5.503 12.025 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.129 -4.751 12.736 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.168 -4.380 10.487 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.535 -5.190 9.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.508 -3.214 9.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -9.649 -3.258 11.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.313 -2.498 10.648 1.00 0.00 H new ATOM 692 N ASP A 46 -9.453 -9.637 9.266 1.00 0.00 N ATOM 693 CA ASP A 46 -9.978 -10.211 8.033 1.00 0.00 C ATOM 694 C ASP A 46 -9.957 -9.180 6.908 1.00 0.00 C ATOM 695 O ASP A 46 -9.606 -9.495 5.771 1.00 0.00 O ATOM 696 CB ASP A 46 -11.404 -10.720 8.249 1.00 0.00 C ATOM 697 CG ASP A 46 -11.998 -11.330 6.993 1.00 0.00 C ATOM 698 OD1 ASP A 46 -12.623 -10.587 6.210 1.00 0.00 O ATOM 699 OD2 ASP A 46 -11.836 -12.553 6.795 1.00 0.00 O ATOM 0 H ASP A 46 -10.134 -9.106 9.809 1.00 0.00 H new ATOM 0 HA ASP A 46 -9.342 -11.049 7.749 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -11.404 -11.464 9.046 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -12.034 -9.896 8.582 1.00 0.00 H new ATOM 704 N THR A 47 -10.335 -7.949 7.237 1.00 0.00 N ATOM 705 CA THR A 47 -10.393 -6.876 6.253 1.00 0.00 C ATOM 706 C THR A 47 -9.531 -5.699 6.657 1.00 0.00 C ATOM 707 O THR A 47 -9.381 -5.390 7.838 1.00 0.00 O ATOM 708 CB THR A 47 -11.839 -6.386 6.046 1.00 0.00 C ATOM 709 OG1 THR A 47 -12.496 -6.258 7.313 1.00 0.00 O ATOM 710 CG2 THR A 47 -12.600 -7.364 5.171 1.00 0.00 C ATOM 0 H THR A 47 -10.606 -7.670 8.180 1.00 0.00 H new ATOM 0 HA THR A 47 -10.013 -7.291 5.320 1.00 0.00 H new ATOM 0 HB THR A 47 -11.815 -5.414 5.554 1.00 0.00 H new ATOM 0 HG1 THR A 47 -13.414 -5.945 7.175 1.00 0.00 H new ATOM 0 HG21 THR A 47 -13.621 -7.009 5.031 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.107 -7.445 4.202 1.00 0.00 H new ATOM 0 HG23 THR A 47 -12.619 -8.343 5.651 1.00 0.00 H new ATOM 718 N TYR A 48 -8.982 -5.034 5.654 1.00 0.00 N ATOM 719 CA TYR A 48 -8.214 -3.826 5.867 1.00 0.00 C ATOM 720 C TYR A 48 -8.962 -2.622 5.353 1.00 0.00 C ATOM 721 O TYR A 48 -10.063 -2.742 4.820 1.00 0.00 O ATOM 722 CB TYR A 48 -6.877 -3.923 5.153 1.00 0.00 C ATOM 723 CG TYR A 48 -5.912 -4.848 5.835 1.00 0.00 C ATOM 724 CD1 TYR A 48 -6.009 -6.221 5.672 1.00 0.00 C ATOM 725 CD2 TYR A 48 -4.908 -4.343 6.636 1.00 0.00 C ATOM 726 CE1 TYR A 48 -5.118 -7.070 6.295 1.00 0.00 C ATOM 727 CE2 TYR A 48 -4.010 -5.183 7.267 1.00 0.00 C ATOM 728 CZ TYR A 48 -4.121 -6.548 7.092 1.00 0.00 C ATOM 729 OH TYR A 48 -3.233 -7.393 7.712 1.00 0.00 O ATOM 0 H TYR A 48 -9.057 -5.317 4.677 1.00 0.00 H new ATOM 0 HA TYR A 48 -8.050 -3.714 6.939 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -7.041 -4.267 4.132 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.434 -2.929 5.087 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -6.791 -6.631 5.050 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -4.823 -3.275 6.772 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -5.201 -8.138 6.159 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -3.229 -4.775 7.891 1.00 0.00 H new ATOM 0 HH TYR A 48 -3.558 -7.606 8.612 1.00 0.00 H new ATOM 739 N THR A 49 -8.327 -1.470 5.455 1.00 0.00 N ATOM 740 CA THR A 49 -8.779 -0.305 4.721 1.00 0.00 C ATOM 741 C THR A 49 -7.590 0.488 4.202 1.00 0.00 C ATOM 742 O THR A 49 -6.484 0.375 4.728 1.00 0.00 O ATOM 743 CB THR A 49 -9.661 0.620 5.578 1.00 0.00 C ATOM 744 OG1 THR A 49 -8.868 1.262 6.583 1.00 0.00 O ATOM 745 CG2 THR A 49 -10.789 -0.160 6.238 1.00 0.00 C ATOM 0 H THR A 49 -7.502 -1.317 6.035 1.00 0.00 H new ATOM 0 HA THR A 49 -9.379 -0.672 3.889 1.00 0.00 H new ATOM 0 HB THR A 49 -10.098 1.374 4.923 1.00 0.00 H new ATOM 0 HG1 THR A 49 -9.437 1.850 7.122 1.00 0.00 H new ATOM 0 HG21 THR A 49 -11.397 0.517 6.838 1.00 0.00 H new ATOM 0 HG22 THR A 49 -11.410 -0.622 5.470 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.369 -0.935 6.879 1.00 0.00 H new ATOM 753 N MET A 50 -7.813 1.242 3.136 1.00 0.00 N ATOM 754 CA MET A 50 -6.719 1.760 2.326 1.00 0.00 C ATOM 755 C MET A 50 -5.784 2.646 3.140 1.00 0.00 C ATOM 756 O MET A 50 -4.663 2.926 2.717 1.00 0.00 O ATOM 757 CB MET A 50 -7.271 2.535 1.135 1.00 0.00 C ATOM 758 CG MET A 50 -6.570 2.206 -0.173 1.00 0.00 C ATOM 759 SD MET A 50 -4.840 2.713 -0.187 1.00 0.00 S ATOM 760 CE MET A 50 -4.315 2.087 -1.780 1.00 0.00 C ATOM 0 H MET A 50 -8.742 1.509 2.811 1.00 0.00 H new ATOM 0 HA MET A 50 -6.140 0.909 1.968 1.00 0.00 H new ATOM 0 HB2 MET A 50 -8.335 2.321 1.033 1.00 0.00 H new ATOM 0 HB3 MET A 50 -7.178 3.603 1.331 1.00 0.00 H new ATOM 0 HG2 MET A 50 -6.630 1.133 -0.352 1.00 0.00 H new ATOM 0 HG3 MET A 50 -7.094 2.696 -0.994 1.00 0.00 H new ATOM 0 HE1 MET A 50 -3.417 1.481 -1.655 1.00 0.00 H new ATOM 0 HE2 MET A 50 -5.108 1.476 -2.210 1.00 0.00 H new ATOM 0 HE3 MET A 50 -4.099 2.922 -2.446 1.00 0.00 H new ATOM 770 N LYS A 51 -6.238 3.079 4.313 1.00 0.00 N ATOM 771 CA LYS A 51 -5.420 3.915 5.184 1.00 0.00 C ATOM 772 C LYS A 51 -4.574 3.043 6.097 1.00 0.00 C ATOM 773 O LYS A 51 -3.403 3.331 6.357 1.00 0.00 O ATOM 774 CB LYS A 51 -6.306 4.845 6.016 1.00 0.00 C ATOM 775 CG LYS A 51 -5.529 5.754 6.956 1.00 0.00 C ATOM 776 CD LYS A 51 -4.657 6.738 6.191 1.00 0.00 C ATOM 777 CE LYS A 51 -3.868 7.632 7.134 1.00 0.00 C ATOM 778 NZ LYS A 51 -4.757 8.432 8.018 1.00 0.00 N ATOM 0 H LYS A 51 -7.165 2.865 4.681 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.761 4.525 4.566 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -6.904 5.460 5.343 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.001 4.242 6.600 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.225 6.302 7.591 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.905 5.149 7.614 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.969 6.191 5.546 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.282 7.352 5.543 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.206 7.019 7.745 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.235 8.303 6.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.203 9.179 8.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.513 8.865 7.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.178 7.812 8.739 1.00 0.00 H new ATOM 792 N GLU A 52 -5.173 1.953 6.554 1.00 0.00 N ATOM 793 CA GLU A 52 -4.458 0.940 7.309 1.00 0.00 C ATOM 794 C GLU A 52 -3.349 0.325 6.463 1.00 0.00 C ATOM 795 O GLU A 52 -2.175 0.390 6.816 1.00 0.00 O ATOM 796 CB GLU A 52 -5.430 -0.146 7.756 1.00 0.00 C ATOM 797 CG GLU A 52 -5.059 -0.788 9.084 1.00 0.00 C ATOM 798 CD GLU A 52 -6.089 -1.795 9.553 1.00 0.00 C ATOM 799 OE1 GLU A 52 -7.035 -1.391 10.264 1.00 0.00 O ATOM 800 OE2 GLU A 52 -5.952 -2.988 9.212 1.00 0.00 O ATOM 0 H GLU A 52 -6.162 1.748 6.412 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.007 1.408 8.184 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.429 0.283 7.836 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -5.476 -0.919 6.989 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.092 -1.281 8.987 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.946 -0.011 9.840 1.00 0.00 H new ATOM 807 N VAL A 53 -3.732 -0.264 5.337 1.00 0.00 N ATOM 808 CA VAL A 53 -2.771 -0.857 4.419 1.00 0.00 C ATOM 809 C VAL A 53 -1.853 0.209 3.818 1.00 0.00 C ATOM 810 O VAL A 53 -0.743 -0.095 3.383 1.00 0.00 O ATOM 811 CB VAL A 53 -3.481 -1.635 3.292 1.00 0.00 C ATOM 812 CG1 VAL A 53 -4.601 -0.807 2.690 1.00 0.00 C ATOM 813 CG2 VAL A 53 -2.494 -2.067 2.220 1.00 0.00 C ATOM 0 H VAL A 53 -4.704 -0.343 5.038 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.164 -1.557 4.994 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.917 -2.534 3.728 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.088 -1.375 1.897 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.330 -0.564 3.463 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.191 0.114 2.277 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.022 -2.613 1.438 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.017 -1.187 1.789 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.734 -2.711 2.663 1.00 0.00 H new ATOM 823 N LEU A 54 -2.302 1.462 3.834 1.00 0.00 N ATOM 824 CA LEU A 54 -1.434 2.580 3.475 1.00 0.00 C ATOM 825 C LEU A 54 -0.143 2.545 4.285 1.00 0.00 C ATOM 826 O LEU A 54 0.944 2.373 3.732 1.00 0.00 O ATOM 827 CB LEU A 54 -2.147 3.916 3.701 1.00 0.00 C ATOM 828 CG LEU A 54 -1.299 5.161 3.426 1.00 0.00 C ATOM 829 CD1 LEU A 54 -0.957 5.258 1.946 1.00 0.00 C ATOM 830 CD2 LEU A 54 -2.023 6.414 3.893 1.00 0.00 C ATOM 0 H LEU A 54 -3.253 1.727 4.089 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.190 2.484 2.417 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.031 3.950 3.065 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.496 3.954 4.733 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.369 5.075 3.987 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.354 6.149 1.770 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.396 4.374 1.644 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.876 5.321 1.364 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.405 7.289 3.689 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.970 6.507 3.361 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.214 6.346 4.964 1.00 0.00 H new ATOM 842 N PHE A 55 -0.266 2.723 5.598 1.00 0.00 N ATOM 843 CA PHE A 55 0.906 2.825 6.461 1.00 0.00 C ATOM 844 C PHE A 55 1.460 1.442 6.797 1.00 0.00 C ATOM 845 O PHE A 55 2.609 1.312 7.218 1.00 0.00 O ATOM 846 CB PHE A 55 0.567 3.593 7.745 1.00 0.00 C ATOM 847 CG PHE A 55 0.003 2.741 8.850 1.00 0.00 C ATOM 848 CD1 PHE A 55 -1.293 2.258 8.785 1.00 0.00 C ATOM 849 CD2 PHE A 55 0.774 2.432 9.961 1.00 0.00 C ATOM 850 CE1 PHE A 55 -1.811 1.481 9.804 1.00 0.00 C ATOM 851 CE2 PHE A 55 0.261 1.654 10.982 1.00 0.00 C ATOM 852 CZ PHE A 55 -1.032 1.179 10.904 1.00 0.00 C ATOM 0 H PHE A 55 -1.159 2.799 6.084 1.00 0.00 H new ATOM 0 HA PHE A 55 1.675 3.377 5.920 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.469 4.086 8.108 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -0.151 4.378 7.506 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.907 2.491 7.927 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.786 2.803 10.029 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.823 1.110 9.740 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.872 1.418 11.841 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.434 0.572 11.702 1.00 0.00 H new ATOM 862 N TYR A 56 0.635 0.413 6.613 1.00 0.00 N ATOM 863 CA TYR A 56 1.025 -0.951 6.961 1.00 0.00 C ATOM 864 C TYR A 56 1.853 -1.592 5.858 1.00 0.00 C ATOM 865 O TYR A 56 2.735 -2.407 6.127 1.00 0.00 O ATOM 866 CB TYR A 56 -0.204 -1.810 7.246 1.00 0.00 C ATOM 867 CG TYR A 56 -0.322 -2.225 8.693 1.00 0.00 C ATOM 868 CD1 TYR A 56 0.773 -2.738 9.383 1.00 0.00 C ATOM 869 CD2 TYR A 56 -1.527 -2.106 9.370 1.00 0.00 C ATOM 870 CE1 TYR A 56 0.665 -3.120 10.705 1.00 0.00 C ATOM 871 CE2 TYR A 56 -1.643 -2.486 10.692 1.00 0.00 C ATOM 872 CZ TYR A 56 -0.544 -2.993 11.356 1.00 0.00 C ATOM 873 OH TYR A 56 -0.656 -3.373 12.674 1.00 0.00 O ATOM 0 H TYR A 56 -0.305 0.498 6.226 1.00 0.00 H new ATOM 0 HA TYR A 56 1.637 -0.892 7.861 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -1.099 -1.257 6.960 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -0.167 -2.703 6.621 1.00 0.00 H new ATOM 0 HD1 TYR A 56 1.721 -2.839 8.876 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -2.389 -1.709 8.854 1.00 0.00 H new ATOM 0 HE1 TYR A 56 1.523 -3.516 11.227 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -2.589 -2.387 11.204 1.00 0.00 H new ATOM 0 HH TYR A 56 -1.573 -3.218 12.982 1.00 0.00 H new ATOM 883 N LEU A 57 1.571 -1.226 4.617 1.00 0.00 N ATOM 884 CA LEU A 57 2.344 -1.729 3.494 1.00 0.00 C ATOM 885 C LEU A 57 3.612 -0.910 3.325 1.00 0.00 C ATOM 886 O LEU A 57 4.687 -1.460 3.100 1.00 0.00 O ATOM 887 CB LEU A 57 1.513 -1.702 2.209 1.00 0.00 C ATOM 888 CG LEU A 57 1.779 -2.860 1.244 1.00 0.00 C ATOM 889 CD1 LEU A 57 0.700 -2.925 0.175 1.00 0.00 C ATOM 890 CD2 LEU A 57 3.156 -2.727 0.611 1.00 0.00 C ATOM 0 H LEU A 57 0.818 -0.587 4.364 1.00 0.00 H new ATOM 0 HA LEU A 57 2.619 -2.764 3.698 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.456 -1.707 2.477 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.705 -0.764 1.689 1.00 0.00 H new ATOM 0 HG LEU A 57 1.754 -3.790 1.812 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.907 -3.755 -0.501 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.271 -3.075 0.647 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.689 -1.992 -0.388 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.325 -3.560 -0.071 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.214 -1.789 0.059 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.917 -2.737 1.391 1.00 0.00 H new ATOM 902 N GLY A 58 3.485 0.402 3.480 1.00 0.00 N ATOM 903 CA GLY A 58 4.656 1.256 3.522 1.00 0.00 C ATOM 904 C GLY A 58 5.674 0.784 4.544 1.00 0.00 C ATOM 905 O GLY A 58 6.877 0.792 4.279 1.00 0.00 O ATOM 0 H GLY A 58 2.594 0.889 3.577 1.00 0.00 H new ATOM 0 HA2 GLY A 58 5.119 1.283 2.536 1.00 0.00 H new ATOM 0 HA3 GLY A 58 4.352 2.275 3.759 1.00 0.00 H new ATOM 909 N GLN A 59 5.192 0.373 5.715 1.00 0.00 N ATOM 910 CA GLN A 59 6.082 -0.046 6.791 1.00 0.00 C ATOM 911 C GLN A 59 6.690 -1.416 6.501 1.00 0.00 C ATOM 912 O GLN A 59 7.886 -1.615 6.692 1.00 0.00 O ATOM 913 CB GLN A 59 5.353 -0.057 8.140 1.00 0.00 C ATOM 914 CG GLN A 59 4.197 -1.039 8.228 1.00 0.00 C ATOM 915 CD GLN A 59 3.499 -0.987 9.574 1.00 0.00 C ATOM 916 OE1 GLN A 59 3.874 -1.694 10.509 1.00 0.00 O ATOM 917 NE2 GLN A 59 2.477 -0.147 9.680 1.00 0.00 N ATOM 0 H GLN A 59 4.198 0.322 5.940 1.00 0.00 H new ATOM 0 HA GLN A 59 6.892 0.681 6.848 1.00 0.00 H new ATOM 0 HB2 GLN A 59 6.072 -0.292 8.925 1.00 0.00 H new ATOM 0 HB3 GLN A 59 4.977 0.946 8.343 1.00 0.00 H new ATOM 0 HG2 GLN A 59 3.477 -0.821 7.439 1.00 0.00 H new ATOM 0 HG3 GLN A 59 4.567 -2.049 8.052 1.00 0.00 H new ATOM 0 HE21 GLN A 59 2.199 0.421 8.880 1.00 0.00 H new ATOM 0 HE22 GLN A 59 1.970 -0.070 10.562 1.00 0.00 H new ATOM 926 N TYR A 60 5.871 -2.359 6.036 1.00 0.00 N ATOM 927 CA TYR A 60 6.364 -3.703 5.751 1.00 0.00 C ATOM 928 C TYR A 60 7.468 -3.670 4.696 1.00 0.00 C ATOM 929 O TYR A 60 8.479 -4.358 4.827 1.00 0.00 O ATOM 930 CB TYR A 60 5.231 -4.618 5.289 1.00 0.00 C ATOM 931 CG TYR A 60 5.674 -6.046 5.078 1.00 0.00 C ATOM 932 CD1 TYR A 60 5.992 -6.859 6.157 1.00 0.00 C ATOM 933 CD2 TYR A 60 5.784 -6.576 3.801 1.00 0.00 C ATOM 934 CE1 TYR A 60 6.406 -8.162 5.970 1.00 0.00 C ATOM 935 CE2 TYR A 60 6.197 -7.879 3.605 1.00 0.00 C ATOM 936 CZ TYR A 60 6.507 -8.668 4.692 1.00 0.00 C ATOM 937 OH TYR A 60 6.922 -9.965 4.501 1.00 0.00 O ATOM 0 H TYR A 60 4.878 -2.219 5.851 1.00 0.00 H new ATOM 0 HA TYR A 60 6.778 -4.102 6.677 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.430 -4.597 6.028 1.00 0.00 H new ATOM 0 HB3 TYR A 60 4.816 -4.231 4.359 1.00 0.00 H new ATOM 0 HD1 TYR A 60 5.914 -6.465 7.160 1.00 0.00 H new ATOM 0 HD2 TYR A 60 5.543 -5.960 2.947 1.00 0.00 H new ATOM 0 HE1 TYR A 60 6.649 -8.782 6.820 1.00 0.00 H new ATOM 0 HE2 TYR A 60 6.277 -8.278 2.605 1.00 0.00 H new ATOM 0 HH TYR A 60 7.328 -10.304 5.326 1.00 0.00 H new ATOM 947 N ILE A 61 7.277 -2.855 3.662 1.00 0.00 N ATOM 948 CA ILE A 61 8.320 -2.626 2.667 1.00 0.00 C ATOM 949 C ILE A 61 9.617 -2.194 3.336 1.00 0.00 C ATOM 950 O ILE A 61 10.616 -2.914 3.305 1.00 0.00 O ATOM 951 CB ILE A 61 7.908 -1.543 1.651 1.00 0.00 C ATOM 952 CG1 ILE A 61 6.566 -1.885 1.013 1.00 0.00 C ATOM 953 CG2 ILE A 61 8.972 -1.380 0.575 1.00 0.00 C ATOM 954 CD1 ILE A 61 5.906 -0.692 0.365 1.00 0.00 C ATOM 0 H ILE A 61 6.411 -2.343 3.492 1.00 0.00 H new ATOM 0 HA ILE A 61 8.468 -3.570 2.142 1.00 0.00 H new ATOM 0 HB ILE A 61 7.809 -0.599 2.187 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.712 -2.664 0.265 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.901 -2.294 1.774 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.660 -0.611 -0.131 1.00 0.00 H new ATOM 0 HG22 ILE A 61 9.915 -1.088 1.037 1.00 0.00 H new ATOM 0 HG23 ILE A 61 9.104 -2.325 0.048 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.955 -0.995 -0.072 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.731 0.079 1.115 1.00 0.00 H new ATOM 0 HD13 ILE A 61 6.555 -0.297 -0.417 1.00 0.00 H new ATOM 966 N MET A 62 9.592 -1.010 3.938 1.00 0.00 N ATOM 967 CA MET A 62 10.770 -0.468 4.616 1.00 0.00 C ATOM 968 C MET A 62 11.242 -1.391 5.740 1.00 0.00 C ATOM 969 O MET A 62 12.336 -1.217 6.277 1.00 0.00 O ATOM 970 CB MET A 62 10.472 0.925 5.171 1.00 0.00 C ATOM 971 CG MET A 62 9.352 0.947 6.198 1.00 0.00 C ATOM 972 SD MET A 62 9.049 2.597 6.860 1.00 0.00 S ATOM 973 CE MET A 62 10.618 2.941 7.653 1.00 0.00 C ATOM 0 H MET A 62 8.771 -0.406 3.972 1.00 0.00 H new ATOM 0 HA MET A 62 11.571 -0.395 3.880 1.00 0.00 H new ATOM 0 HB2 MET A 62 11.378 1.327 5.626 1.00 0.00 H new ATOM 0 HB3 MET A 62 10.209 1.587 4.346 1.00 0.00 H new ATOM 0 HG2 MET A 62 8.437 0.570 5.741 1.00 0.00 H new ATOM 0 HG3 MET A 62 9.601 0.272 7.016 1.00 0.00 H new ATOM 0 HE1 MET A 62 10.758 4.019 7.729 1.00 0.00 H new ATOM 0 HE2 MET A 62 10.625 2.503 8.651 1.00 0.00 H new ATOM 0 HE3 MET A 62 11.426 2.511 7.062 1.00 0.00 H new ATOM 983 N THR A 63 10.417 -2.376 6.090 1.00 0.00 N ATOM 984 CA THR A 63 10.782 -3.358 7.109 1.00 0.00 C ATOM 985 C THR A 63 11.203 -4.679 6.465 1.00 0.00 C ATOM 986 O THR A 63 10.935 -4.918 5.287 1.00 0.00 O ATOM 987 CB THR A 63 9.611 -3.610 8.086 1.00 0.00 C ATOM 988 OG1 THR A 63 9.205 -2.374 8.687 1.00 0.00 O ATOM 989 CG2 THR A 63 10.003 -4.593 9.181 1.00 0.00 C ATOM 0 H THR A 63 9.492 -2.515 5.683 1.00 0.00 H new ATOM 0 HA THR A 63 11.624 -2.950 7.668 1.00 0.00 H new ATOM 0 HB THR A 63 8.787 -4.038 7.516 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.447 -2.002 8.190 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.157 -4.748 9.851 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.289 -5.544 8.731 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.844 -4.192 9.746 1.00 0.00 H new ATOM 997 N LYS A 64 11.861 -5.536 7.248 1.00 0.00 N ATOM 998 CA LYS A 64 12.229 -6.874 6.792 1.00 0.00 C ATOM 999 C LYS A 64 13.278 -6.810 5.684 1.00 0.00 C ATOM 1000 O LYS A 64 13.274 -7.632 4.768 1.00 0.00 O ATOM 1001 CB LYS A 64 10.994 -7.634 6.299 1.00 0.00 C ATOM 1002 CG LYS A 64 9.920 -7.811 7.364 1.00 0.00 C ATOM 1003 CD LYS A 64 10.405 -8.683 8.512 1.00 0.00 C ATOM 1004 CE LYS A 64 10.652 -10.114 8.063 1.00 0.00 C ATOM 1005 NZ LYS A 64 11.125 -10.974 9.183 1.00 0.00 N ATOM 0 H LYS A 64 12.150 -5.325 8.203 1.00 0.00 H new ATOM 0 HA LYS A 64 12.658 -7.407 7.641 1.00 0.00 H new ATOM 0 HB2 LYS A 64 10.566 -7.102 5.449 1.00 0.00 H new ATOM 0 HB3 LYS A 64 11.302 -8.616 5.939 1.00 0.00 H new ATOM 0 HG2 LYS A 64 9.624 -6.835 7.748 1.00 0.00 H new ATOM 0 HG3 LYS A 64 9.033 -8.259 6.916 1.00 0.00 H new ATOM 0 HD2 LYS A 64 11.325 -8.266 8.923 1.00 0.00 H new ATOM 0 HD3 LYS A 64 9.666 -8.675 9.313 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.732 -10.529 7.650 1.00 0.00 H new ATOM 0 HE3 LYS A 64 11.392 -10.121 7.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 11.282 -11.942 8.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.016 -10.593 9.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 10.408 -10.989 9.936 1.00 0.00 H new ATOM 1019 N ARG A 65 14.176 -5.831 5.790 1.00 0.00 N ATOM 1020 CA ARG A 65 15.277 -5.667 4.839 1.00 0.00 C ATOM 1021 C ARG A 65 14.825 -5.921 3.403 1.00 0.00 C ATOM 1022 O ARG A 65 15.542 -6.537 2.616 1.00 0.00 O ATOM 1023 CB ARG A 65 16.449 -6.585 5.199 1.00 0.00 C ATOM 1024 CG ARG A 65 16.118 -8.069 5.140 1.00 0.00 C ATOM 1025 CD ARG A 65 17.311 -8.923 5.539 1.00 0.00 C ATOM 1026 NE ARG A 65 17.000 -10.350 5.499 1.00 0.00 N ATOM 1027 CZ ARG A 65 17.845 -11.300 5.888 1.00 0.00 C ATOM 1028 NH1 ARG A 65 19.048 -10.977 6.345 1.00 0.00 N ATOM 1029 NH2 ARG A 65 17.486 -12.574 5.821 1.00 0.00 N ATOM 0 H ARG A 65 14.162 -5.132 6.533 1.00 0.00 H new ATOM 0 HA ARG A 65 15.611 -4.631 4.905 1.00 0.00 H new ATOM 0 HB2 ARG A 65 17.277 -6.381 4.520 1.00 0.00 H new ATOM 0 HB3 ARG A 65 16.793 -6.340 6.204 1.00 0.00 H new ATOM 0 HG2 ARG A 65 15.279 -8.282 5.802 1.00 0.00 H new ATOM 0 HG3 ARG A 65 15.802 -8.332 4.131 1.00 0.00 H new ATOM 0 HD2 ARG A 65 18.146 -8.715 4.870 1.00 0.00 H new ATOM 0 HD3 ARG A 65 17.632 -8.650 6.544 1.00 0.00 H new ATOM 0 HE ARG A 65 16.083 -10.633 5.153 1.00 0.00 H new ATOM 0 HH11 ARG A 65 19.327 -9.997 6.399 1.00 0.00 H new ATOM 0 HH12 ARG A 65 19.694 -11.708 6.643 1.00 0.00 H new ATOM 0 HH21 ARG A 65 16.562 -12.826 5.471 1.00 0.00 H new ATOM 0 HH22 ARG A 65 18.134 -13.303 6.119 1.00 0.00 H new ATOM 1043 N LEU A 66 13.645 -5.414 3.061 1.00 0.00 N ATOM 1044 CA LEU A 66 13.165 -5.465 1.686 1.00 0.00 C ATOM 1045 C LEU A 66 13.553 -4.199 0.926 1.00 0.00 C ATOM 1046 O LEU A 66 13.833 -4.247 -0.272 1.00 0.00 O ATOM 1047 CB LEU A 66 11.645 -5.650 1.652 1.00 0.00 C ATOM 1048 CG LEU A 66 11.166 -7.069 1.318 1.00 0.00 C ATOM 1049 CD1 LEU A 66 11.893 -7.601 0.094 1.00 0.00 C ATOM 1050 CD2 LEU A 66 11.358 -8.002 2.503 1.00 0.00 C ATOM 0 H LEU A 66 13.005 -4.964 3.716 1.00 0.00 H new ATOM 0 HA LEU A 66 13.635 -6.320 1.199 1.00 0.00 H new ATOM 0 HB2 LEU A 66 11.239 -5.366 2.623 1.00 0.00 H new ATOM 0 HB3 LEU A 66 11.228 -4.961 0.918 1.00 0.00 H new ATOM 0 HG LEU A 66 10.100 -7.024 1.095 1.00 0.00 H new ATOM 0 HD11 LEU A 66 11.541 -8.608 -0.129 1.00 0.00 H new ATOM 0 HD12 LEU A 66 11.695 -6.951 -0.758 1.00 0.00 H new ATOM 0 HD13 LEU A 66 12.965 -7.626 0.290 1.00 0.00 H new ATOM 0 HD21 LEU A 66 11.011 -9.001 2.240 1.00 0.00 H new ATOM 0 HD22 LEU A 66 12.415 -8.043 2.766 1.00 0.00 H new ATOM 0 HD23 LEU A 66 10.786 -7.632 3.354 1.00 0.00 H new ATOM 1062 N TYR A 67 13.560 -3.069 1.628 1.00 0.00 N ATOM 1063 CA TYR A 67 13.848 -1.781 1.002 1.00 0.00 C ATOM 1064 C TYR A 67 15.291 -1.727 0.501 1.00 0.00 C ATOM 1065 O TYR A 67 16.016 -2.720 0.563 1.00 0.00 O ATOM 1066 CB TYR A 67 13.591 -0.640 1.988 1.00 0.00 C ATOM 1067 CG TYR A 67 14.643 -0.515 3.066 1.00 0.00 C ATOM 1068 CD1 TYR A 67 14.646 -1.362 4.167 1.00 0.00 C ATOM 1069 CD2 TYR A 67 15.634 0.454 2.982 1.00 0.00 C ATOM 1070 CE1 TYR A 67 15.606 -1.246 5.152 1.00 0.00 C ATOM 1071 CE2 TYR A 67 16.598 0.577 3.962 1.00 0.00 C ATOM 1072 CZ TYR A 67 16.580 -0.275 5.048 1.00 0.00 C ATOM 1073 OH TYR A 67 17.539 -0.156 6.027 1.00 0.00 O ATOM 0 H TYR A 67 13.370 -3.019 2.629 1.00 0.00 H new ATOM 0 HA TYR A 67 13.183 -1.666 0.146 1.00 0.00 H new ATOM 0 HB2 TYR A 67 13.536 0.299 1.436 1.00 0.00 H new ATOM 0 HB3 TYR A 67 12.619 -0.791 2.458 1.00 0.00 H new ATOM 0 HD1 TYR A 67 13.885 -2.123 4.254 1.00 0.00 H new ATOM 0 HD2 TYR A 67 15.651 1.123 2.135 1.00 0.00 H new ATOM 0 HE1 TYR A 67 15.594 -1.913 6.001 1.00 0.00 H new ATOM 0 HE2 TYR A 67 17.362 1.336 3.880 1.00 0.00 H new ATOM 0 HH TYR A 67 18.149 0.576 5.800 1.00 0.00 H new ATOM 1083 N ASP A 68 15.697 -0.565 0.000 1.00 0.00 N ATOM 1084 CA ASP A 68 17.043 -0.395 -0.534 1.00 0.00 C ATOM 1085 C ASP A 68 18.031 -0.043 0.577 1.00 0.00 C ATOM 1086 O ASP A 68 18.533 -0.930 1.270 1.00 0.00 O ATOM 1087 CB ASP A 68 17.055 0.689 -1.617 1.00 0.00 C ATOM 1088 CG ASP A 68 18.430 0.880 -2.228 1.00 0.00 C ATOM 1089 OD1 ASP A 68 19.148 -0.127 -2.402 1.00 0.00 O ATOM 1090 OD2 ASP A 68 18.787 2.038 -2.534 1.00 0.00 O ATOM 0 H ASP A 68 15.115 0.271 -0.047 1.00 0.00 H new ATOM 0 HA ASP A 68 17.352 -1.341 -0.979 1.00 0.00 H new ATOM 0 HB2 ASP A 68 16.346 0.424 -2.401 1.00 0.00 H new ATOM 0 HB3 ASP A 68 16.717 1.632 -1.187 1.00 0.00 H new ATOM 1095 N GLU A 69 18.292 1.252 0.751 1.00 0.00 N ATOM 1096 CA GLU A 69 19.186 1.726 1.805 1.00 0.00 C ATOM 1097 C GLU A 69 19.367 3.239 1.727 1.00 0.00 C ATOM 1098 O GLU A 69 19.548 3.904 2.746 1.00 0.00 O ATOM 1099 CB GLU A 69 20.552 1.039 1.702 1.00 0.00 C ATOM 1100 CG GLU A 69 21.525 1.450 2.796 1.00 0.00 C ATOM 1101 CD GLU A 69 22.868 0.759 2.671 1.00 0.00 C ATOM 1102 OE1 GLU A 69 23.331 0.560 1.529 1.00 0.00 O ATOM 1103 OE2 GLU A 69 23.459 0.415 3.717 1.00 0.00 O ATOM 0 H GLU A 69 17.895 1.993 0.173 1.00 0.00 H new ATOM 0 HA GLU A 69 18.731 1.476 2.764 1.00 0.00 H new ATOM 0 HB2 GLU A 69 20.410 -0.041 1.741 1.00 0.00 H new ATOM 0 HB3 GLU A 69 20.992 1.268 0.731 1.00 0.00 H new ATOM 0 HG2 GLU A 69 21.671 2.530 2.760 1.00 0.00 H new ATOM 0 HG3 GLU A 69 21.091 1.219 3.769 1.00 0.00 H new ATOM 1110 N LYS A 70 19.328 3.773 0.508 1.00 0.00 N ATOM 1111 CA LYS A 70 19.545 5.200 0.288 1.00 0.00 C ATOM 1112 C LYS A 70 18.590 6.031 1.138 1.00 0.00 C ATOM 1113 O LYS A 70 19.009 6.710 2.076 1.00 0.00 O ATOM 1114 CB LYS A 70 19.359 5.542 -1.192 1.00 0.00 C ATOM 1115 CG LYS A 70 20.318 4.803 -2.112 1.00 0.00 C ATOM 1116 CD LYS A 70 20.066 5.141 -3.574 1.00 0.00 C ATOM 1117 CE LYS A 70 20.362 6.602 -3.872 1.00 0.00 C ATOM 1118 NZ LYS A 70 20.113 6.938 -5.301 1.00 0.00 N ATOM 0 H LYS A 70 19.148 3.239 -0.342 1.00 0.00 H new ATOM 0 HA LYS A 70 20.567 5.438 0.583 1.00 0.00 H new ATOM 0 HB2 LYS A 70 18.335 5.308 -1.485 1.00 0.00 H new ATOM 0 HB3 LYS A 70 19.492 6.615 -1.328 1.00 0.00 H new ATOM 0 HG2 LYS A 70 21.344 5.060 -1.850 1.00 0.00 H new ATOM 0 HG3 LYS A 70 20.211 3.729 -1.963 1.00 0.00 H new ATOM 0 HD2 LYS A 70 20.688 4.507 -4.206 1.00 0.00 H new ATOM 0 HD3 LYS A 70 19.028 4.921 -3.825 1.00 0.00 H new ATOM 0 HE2 LYS A 70 19.742 7.235 -3.237 1.00 0.00 H new ATOM 0 HE3 LYS A 70 21.401 6.820 -3.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 20.326 7.943 -5.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 20.723 6.352 -5.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 19.116 6.754 -5.532 1.00 0.00 H new ATOM 1132 N GLN A 71 17.304 5.959 0.815 1.00 0.00 N ATOM 1133 CA GLN A 71 16.275 6.602 1.621 1.00 0.00 C ATOM 1134 C GLN A 71 15.016 5.744 1.671 1.00 0.00 C ATOM 1135 O GLN A 71 13.909 6.254 1.853 1.00 0.00 O ATOM 1136 CB GLN A 71 15.947 7.990 1.064 1.00 0.00 C ATOM 1137 CG GLN A 71 15.454 7.972 -0.372 1.00 0.00 C ATOM 1138 CD GLN A 71 15.122 9.357 -0.893 1.00 0.00 C ATOM 1139 OE1 GLN A 71 14.721 10.238 -0.133 1.00 0.00 O ATOM 1140 NE2 GLN A 71 15.287 9.554 -2.196 1.00 0.00 N ATOM 0 H GLN A 71 16.949 5.461 -0.001 1.00 0.00 H new ATOM 0 HA GLN A 71 16.658 6.714 2.635 1.00 0.00 H new ATOM 0 HB2 GLN A 71 15.188 8.454 1.693 1.00 0.00 H new ATOM 0 HB3 GLN A 71 16.837 8.616 1.125 1.00 0.00 H new ATOM 0 HG2 GLN A 71 16.216 7.522 -1.008 1.00 0.00 H new ATOM 0 HG3 GLN A 71 14.568 7.340 -0.440 1.00 0.00 H new ATOM 0 HE21 GLN A 71 15.622 8.794 -2.788 1.00 0.00 H new ATOM 0 HE22 GLN A 71 15.079 10.465 -2.604 1.00 0.00 H new ATOM 1149 N GLN A 72 15.200 4.434 1.519 1.00 0.00 N ATOM 1150 CA GLN A 72 14.099 3.482 1.629 1.00 0.00 C ATOM 1151 C GLN A 72 13.039 3.745 0.560 1.00 0.00 C ATOM 1152 O GLN A 72 11.891 3.325 0.697 1.00 0.00 O ATOM 1153 CB GLN A 72 13.469 3.562 3.022 1.00 0.00 C ATOM 1154 CG GLN A 72 14.480 3.454 4.153 1.00 0.00 C ATOM 1155 CD GLN A 72 13.838 3.548 5.524 1.00 0.00 C ATOM 1156 OE1 GLN A 72 14.319 2.953 6.488 1.00 0.00 O ATOM 1157 NE2 GLN A 72 12.747 4.300 5.620 1.00 0.00 N ATOM 0 H GLN A 72 16.105 4.008 1.319 1.00 0.00 H new ATOM 0 HA GLN A 72 14.500 2.480 1.475 1.00 0.00 H new ATOM 0 HB2 GLN A 72 12.931 4.506 3.115 1.00 0.00 H new ATOM 0 HB3 GLN A 72 12.733 2.764 3.126 1.00 0.00 H new ATOM 0 HG2 GLN A 72 15.012 2.506 4.070 1.00 0.00 H new ATOM 0 HG3 GLN A 72 15.222 4.246 4.049 1.00 0.00 H new ATOM 0 HE21 GLN A 72 12.382 4.776 4.795 1.00 0.00 H new ATOM 0 HE22 GLN A 72 12.275 4.401 6.518 1.00 0.00 H new ATOM 1166 N HIS A 73 13.436 4.441 -0.502 1.00 0.00 N ATOM 1167 CA HIS A 73 12.521 4.753 -1.599 1.00 0.00 C ATOM 1168 C HIS A 73 12.495 3.621 -2.621 1.00 0.00 C ATOM 1169 O HIS A 73 11.466 3.358 -3.241 1.00 0.00 O ATOM 1170 CB HIS A 73 12.931 6.062 -2.277 1.00 0.00 C ATOM 1171 CG HIS A 73 14.258 5.991 -2.970 1.00 0.00 C ATOM 1172 ND1 HIS A 73 15.422 5.619 -2.332 1.00 0.00 N ATOM 1173 CD2 HIS A 73 14.600 6.247 -4.256 1.00 0.00 C ATOM 1174 CE1 HIS A 73 16.423 5.648 -3.194 1.00 0.00 C ATOM 1175 NE2 HIS A 73 15.951 6.026 -4.367 1.00 0.00 N ATOM 0 H HIS A 73 14.383 4.799 -0.627 1.00 0.00 H new ATOM 0 HA HIS A 73 11.519 4.867 -1.184 1.00 0.00 H new ATOM 0 HB2 HIS A 73 12.167 6.340 -3.002 1.00 0.00 H new ATOM 0 HB3 HIS A 73 12.964 6.854 -1.529 1.00 0.00 H new ATOM 0 HD2 HIS A 73 13.935 6.565 -5.045 1.00 0.00 H new ATOM 0 HE1 HIS A 73 17.452 5.404 -2.976 1.00 0.00 H new ATOM 0 HE2 HIS A 73 16.501 6.136 -5.219 1.00 0.00 H new ATOM 1184 N ILE A 74 13.623 2.932 -2.770 1.00 0.00 N ATOM 1185 CA ILE A 74 13.661 1.699 -3.547 1.00 0.00 C ATOM 1186 C ILE A 74 13.492 0.493 -2.633 1.00 0.00 C ATOM 1187 O ILE A 74 13.714 0.584 -1.426 1.00 0.00 O ATOM 1188 CB ILE A 74 14.982 1.551 -4.332 1.00 0.00 C ATOM 1189 CG1 ILE A 74 15.324 2.849 -5.068 1.00 0.00 C ATOM 1190 CG2 ILE A 74 14.885 0.393 -5.316 1.00 0.00 C ATOM 1191 CD1 ILE A 74 14.276 3.279 -6.073 1.00 0.00 C ATOM 0 H ILE A 74 14.518 3.206 -2.365 1.00 0.00 H new ATOM 0 HA ILE A 74 12.839 1.747 -4.261 1.00 0.00 H new ATOM 0 HB ILE A 74 15.781 1.340 -3.622 1.00 0.00 H new ATOM 0 HG12 ILE A 74 15.460 3.645 -4.336 1.00 0.00 H new ATOM 0 HG13 ILE A 74 16.277 2.723 -5.582 1.00 0.00 H new ATOM 0 HG21 ILE A 74 15.824 0.300 -5.863 1.00 0.00 H new ATOM 0 HG22 ILE A 74 14.689 -0.531 -4.772 1.00 0.00 H new ATOM 0 HG23 ILE A 74 14.073 0.580 -6.019 1.00 0.00 H new ATOM 0 HD11 ILE A 74 14.590 4.206 -6.553 1.00 0.00 H new ATOM 0 HD12 ILE A 74 14.156 2.502 -6.828 1.00 0.00 H new ATOM 0 HD13 ILE A 74 13.326 3.439 -5.563 1.00 0.00 H new ATOM 1203 N VAL A 75 13.096 -0.633 -3.210 1.00 0.00 N ATOM 1204 CA VAL A 75 12.893 -1.851 -2.441 1.00 0.00 C ATOM 1205 C VAL A 75 12.879 -3.073 -3.349 1.00 0.00 C ATOM 1206 O VAL A 75 11.885 -3.354 -4.021 1.00 0.00 O ATOM 1207 CB VAL A 75 11.583 -1.784 -1.632 1.00 0.00 C ATOM 1208 CG1 VAL A 75 10.502 -1.084 -2.436 1.00 0.00 C ATOM 1209 CG2 VAL A 75 11.133 -3.172 -1.195 1.00 0.00 C ATOM 0 H VAL A 75 12.909 -0.728 -4.208 1.00 0.00 H new ATOM 0 HA VAL A 75 13.727 -1.942 -1.745 1.00 0.00 H new ATOM 0 HB VAL A 75 11.768 -1.203 -0.729 1.00 0.00 H new ATOM 0 HG11 VAL A 75 9.583 -1.044 -1.852 1.00 0.00 H new ATOM 0 HG12 VAL A 75 10.825 -0.071 -2.675 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.322 -1.634 -3.360 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.206 -3.092 -0.626 1.00 0.00 H new ATOM 0 HG22 VAL A 75 10.967 -3.794 -2.074 1.00 0.00 H new ATOM 0 HG23 VAL A 75 11.904 -3.625 -0.571 1.00 0.00 H new ATOM 1219 N TYR A 76 13.993 -3.793 -3.366 1.00 0.00 N ATOM 1220 CA TYR A 76 14.114 -4.994 -4.180 1.00 0.00 C ATOM 1221 C TYR A 76 13.569 -6.208 -3.441 1.00 0.00 C ATOM 1222 O TYR A 76 13.821 -6.387 -2.249 1.00 0.00 O ATOM 1223 CB TYR A 76 15.573 -5.216 -4.564 1.00 0.00 C ATOM 1224 CG TYR A 76 16.205 -3.998 -5.191 1.00 0.00 C ATOM 1225 CD1 TYR A 76 16.820 -3.033 -4.409 1.00 0.00 C ATOM 1226 CD2 TYR A 76 16.179 -3.810 -6.565 1.00 0.00 C ATOM 1227 CE1 TYR A 76 17.396 -1.913 -4.978 1.00 0.00 C ATOM 1228 CE2 TYR A 76 16.751 -2.694 -7.144 1.00 0.00 C ATOM 1229 CZ TYR A 76 17.360 -1.748 -6.345 1.00 0.00 C ATOM 1230 OH TYR A 76 17.931 -0.635 -6.916 1.00 0.00 O ATOM 0 H TYR A 76 14.827 -3.565 -2.824 1.00 0.00 H new ATOM 0 HA TYR A 76 13.524 -4.859 -5.087 1.00 0.00 H new ATOM 0 HB2 TYR A 76 16.139 -5.497 -3.676 1.00 0.00 H new ATOM 0 HB3 TYR A 76 15.637 -6.052 -5.260 1.00 0.00 H new ATOM 0 HD1 TYR A 76 16.850 -3.158 -3.337 1.00 0.00 H new ATOM 0 HD2 TYR A 76 15.703 -4.549 -7.193 1.00 0.00 H new ATOM 0 HE1 TYR A 76 17.872 -1.171 -4.354 1.00 0.00 H new ATOM 0 HE2 TYR A 76 16.722 -2.563 -8.216 1.00 0.00 H new ATOM 0 HH TYR A 76 17.820 -0.673 -7.889 1.00 0.00 H new ATOM 1240 N CYS A 77 12.795 -7.025 -4.146 1.00 0.00 N ATOM 1241 CA CYS A 77 12.078 -8.128 -3.518 1.00 0.00 C ATOM 1242 C CYS A 77 12.147 -9.392 -4.371 1.00 0.00 C ATOM 1243 O CYS A 77 11.168 -9.778 -5.008 1.00 0.00 O ATOM 1244 CB CYS A 77 10.619 -7.739 -3.269 1.00 0.00 C ATOM 1245 SG CYS A 77 9.747 -7.159 -4.742 1.00 0.00 S ATOM 0 H CYS A 77 12.648 -6.944 -5.152 1.00 0.00 H new ATOM 0 HA CYS A 77 12.559 -8.339 -2.563 1.00 0.00 H new ATOM 0 HB2 CYS A 77 10.089 -8.600 -2.862 1.00 0.00 H new ATOM 0 HB3 CYS A 77 10.587 -6.957 -2.510 1.00 0.00 H new ATOM 0 HG CYS A 77 10.229 -7.752 -5.793 1.00 0.00 H new ATOM 1251 N SER A 78 13.304 -10.046 -4.352 1.00 0.00 N ATOM 1252 CA SER A 78 13.452 -11.354 -4.978 1.00 0.00 C ATOM 1253 C SER A 78 13.108 -12.464 -3.991 1.00 0.00 C ATOM 1254 O SER A 78 13.798 -12.653 -2.988 1.00 0.00 O ATOM 1255 CB SER A 78 14.881 -11.539 -5.494 1.00 0.00 C ATOM 1256 OG SER A 78 15.045 -12.808 -6.103 1.00 0.00 O ATOM 0 H SER A 78 14.152 -9.691 -3.910 1.00 0.00 H new ATOM 0 HA SER A 78 12.762 -11.409 -5.820 1.00 0.00 H new ATOM 0 HB2 SER A 78 15.115 -10.754 -6.213 1.00 0.00 H new ATOM 0 HB3 SER A 78 15.585 -11.435 -4.668 1.00 0.00 H new ATOM 0 HG SER A 78 15.966 -12.900 -6.425 1.00 0.00 H new ATOM 1262 N ASN A 79 12.023 -13.184 -4.272 1.00 0.00 N ATOM 1263 CA ASN A 79 11.523 -14.210 -3.360 1.00 0.00 C ATOM 1264 C ASN A 79 11.152 -13.602 -2.010 1.00 0.00 C ATOM 1265 O ASN A 79 11.813 -13.848 -1.002 1.00 0.00 O ATOM 1266 CB ASN A 79 12.566 -15.315 -3.172 1.00 0.00 C ATOM 1267 CG ASN A 79 12.922 -16.004 -4.475 1.00 0.00 C ATOM 1268 OD1 ASN A 79 12.298 -16.993 -4.858 1.00 0.00 O ATOM 1269 ND2 ASN A 79 13.930 -15.481 -5.162 1.00 0.00 N ATOM 0 H ASN A 79 11.474 -13.075 -5.124 1.00 0.00 H new ATOM 0 HA ASN A 79 10.626 -14.646 -3.800 1.00 0.00 H new ATOM 0 HB2 ASN A 79 13.467 -14.888 -2.732 1.00 0.00 H new ATOM 0 HB3 ASN A 79 12.185 -16.053 -2.466 1.00 0.00 H new ATOM 0 HD21 ASN A 79 14.216 -15.900 -6.047 1.00 0.00 H new ATOM 0 HD22 ASN A 79 14.419 -14.660 -4.805 1.00 0.00 H new ATOM 1276 N ASP A 80 10.092 -12.799 -2.005 1.00 0.00 N ATOM 1277 CA ASP A 80 9.648 -12.117 -0.794 1.00 0.00 C ATOM 1278 C ASP A 80 8.124 -12.038 -0.741 1.00 0.00 C ATOM 1279 O ASP A 80 7.447 -12.231 -1.754 1.00 0.00 O ATOM 1280 CB ASP A 80 10.248 -10.712 -0.731 1.00 0.00 C ATOM 1281 CG ASP A 80 11.763 -10.739 -0.656 1.00 0.00 C ATOM 1282 OD1 ASP A 80 12.300 -10.791 0.470 1.00 0.00 O ATOM 1283 OD2 ASP A 80 12.410 -10.706 -1.723 1.00 0.00 O ATOM 0 H ASP A 80 9.523 -12.604 -2.829 1.00 0.00 H new ATOM 0 HA ASP A 80 9.992 -12.691 0.066 1.00 0.00 H new ATOM 0 HB2 ASP A 80 9.939 -10.147 -1.611 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.852 -10.188 0.139 1.00 0.00 H new ATOM 1288 N LEU A 81 7.590 -11.743 0.438 1.00 0.00 N ATOM 1289 CA LEU A 81 6.152 -11.561 0.594 1.00 0.00 C ATOM 1290 C LEU A 81 5.685 -10.342 -0.195 1.00 0.00 C ATOM 1291 O LEU A 81 4.660 -10.381 -0.878 1.00 0.00 O ATOM 1292 CB LEU A 81 5.784 -11.413 2.072 1.00 0.00 C ATOM 1293 CG LEU A 81 5.998 -12.668 2.926 1.00 0.00 C ATOM 1294 CD1 LEU A 81 7.482 -12.935 3.129 1.00 0.00 C ATOM 1295 CD2 LEU A 81 5.295 -12.526 4.267 1.00 0.00 C ATOM 0 H LEU A 81 8.128 -11.625 1.296 1.00 0.00 H new ATOM 0 HA LEU A 81 5.648 -12.445 0.203 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.372 -10.599 2.497 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.737 -11.120 2.142 1.00 0.00 H new ATOM 0 HG LEU A 81 5.567 -13.518 2.397 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.611 -13.830 3.738 1.00 0.00 H new ATOM 0 HD12 LEU A 81 7.961 -13.083 2.161 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.939 -12.084 3.634 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.458 -13.426 4.860 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.697 -11.663 4.799 1.00 0.00 H new ATOM 0 HD23 LEU A 81 4.226 -12.387 4.105 1.00 0.00 H new ATOM 1307 N LEU A 82 6.477 -9.276 -0.137 1.00 0.00 N ATOM 1308 CA LEU A 82 6.301 -8.147 -1.040 1.00 0.00 C ATOM 1309 C LEU A 82 6.314 -8.617 -2.491 1.00 0.00 C ATOM 1310 O LEU A 82 5.709 -7.995 -3.362 1.00 0.00 O ATOM 1311 CB LEU A 82 7.403 -7.112 -0.821 1.00 0.00 C ATOM 1312 CG LEU A 82 6.959 -5.838 -0.102 1.00 0.00 C ATOM 1313 CD1 LEU A 82 8.146 -4.914 0.122 1.00 0.00 C ATOM 1314 CD2 LEU A 82 5.872 -5.132 -0.898 1.00 0.00 C ATOM 0 H LEU A 82 7.246 -9.172 0.525 1.00 0.00 H new ATOM 0 HA LEU A 82 5.336 -7.687 -0.827 1.00 0.00 H new ATOM 0 HB2 LEU A 82 8.206 -7.574 -0.247 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.821 -6.838 -1.790 1.00 0.00 H new ATOM 0 HG LEU A 82 6.550 -6.112 0.870 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.813 -4.012 0.635 1.00 0.00 H new ATOM 0 HD12 LEU A 82 8.893 -5.423 0.731 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.584 -4.644 -0.839 1.00 0.00 H new ATOM 0 HD21 LEU A 82 5.566 -4.227 -0.373 1.00 0.00 H new ATOM 0 HD22 LEU A 82 6.256 -4.868 -1.883 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.014 -5.795 -1.009 1.00 0.00 H new ATOM 1326 N GLY A 83 6.997 -9.732 -2.734 1.00 0.00 N ATOM 1327 CA GLY A 83 6.982 -10.338 -4.051 1.00 0.00 C ATOM 1328 C GLY A 83 5.606 -10.842 -4.436 1.00 0.00 C ATOM 1329 O GLY A 83 5.184 -10.694 -5.584 1.00 0.00 O ATOM 0 H GLY A 83 7.560 -10.226 -2.041 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.319 -9.609 -4.788 1.00 0.00 H new ATOM 0 HA3 GLY A 83 7.690 -11.166 -4.076 1.00 0.00 H new ATOM 1333 N ASP A 84 4.895 -11.424 -3.471 1.00 0.00 N ATOM 1334 CA ASP A 84 3.515 -11.843 -3.693 1.00 0.00 C ATOM 1335 C ASP A 84 2.668 -10.675 -4.188 1.00 0.00 C ATOM 1336 O ASP A 84 1.723 -10.866 -4.955 1.00 0.00 O ATOM 1337 CB ASP A 84 2.906 -12.421 -2.413 1.00 0.00 C ATOM 1338 CG ASP A 84 3.636 -13.662 -1.934 1.00 0.00 C ATOM 1339 OD1 ASP A 84 4.606 -13.519 -1.162 1.00 0.00 O ATOM 1340 OD2 ASP A 84 3.237 -14.775 -2.334 1.00 0.00 O ATOM 0 H ASP A 84 5.250 -11.614 -2.534 1.00 0.00 H new ATOM 0 HA ASP A 84 3.524 -12.620 -4.457 1.00 0.00 H new ATOM 0 HB2 ASP A 84 2.929 -11.664 -1.629 1.00 0.00 H new ATOM 0 HB3 ASP A 84 1.858 -12.665 -2.590 1.00 0.00 H new ATOM 1345 N LEU A 85 3.026 -9.464 -3.766 1.00 0.00 N ATOM 1346 CA LEU A 85 2.380 -8.262 -4.283 1.00 0.00 C ATOM 1347 C LEU A 85 2.656 -8.094 -5.768 1.00 0.00 C ATOM 1348 O LEU A 85 1.798 -8.365 -6.609 1.00 0.00 O ATOM 1349 CB LEU A 85 2.859 -7.015 -3.539 1.00 0.00 C ATOM 1350 CG LEU A 85 2.400 -6.910 -2.089 1.00 0.00 C ATOM 1351 CD1 LEU A 85 2.633 -5.504 -1.561 1.00 0.00 C ATOM 1352 CD2 LEU A 85 0.932 -7.283 -1.969 1.00 0.00 C ATOM 0 H LEU A 85 3.754 -9.291 -3.073 1.00 0.00 H new ATOM 0 HA LEU A 85 1.308 -8.379 -4.127 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.949 -6.994 -3.561 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.512 -6.134 -4.078 1.00 0.00 H new ATOM 0 HG LEU A 85 2.985 -7.608 -1.490 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.300 -5.445 -0.525 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.695 -5.266 -1.615 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.071 -4.791 -2.164 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.620 -7.203 -0.928 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.334 -6.607 -2.580 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.787 -8.307 -2.313 1.00 0.00 H new ATOM 1364 N PHE A 86 3.850 -7.608 -6.075 1.00 0.00 N ATOM 1365 CA PHE A 86 4.181 -7.207 -7.437 1.00 0.00 C ATOM 1366 C PHE A 86 4.699 -8.388 -8.246 1.00 0.00 C ATOM 1367 O PHE A 86 4.069 -8.821 -9.212 1.00 0.00 O ATOM 1368 CB PHE A 86 5.236 -6.098 -7.431 1.00 0.00 C ATOM 1369 CG PHE A 86 4.957 -4.990 -6.459 1.00 0.00 C ATOM 1370 CD1 PHE A 86 5.232 -5.153 -5.111 1.00 0.00 C ATOM 1371 CD2 PHE A 86 4.424 -3.787 -6.891 1.00 0.00 C ATOM 1372 CE1 PHE A 86 4.981 -4.137 -4.213 1.00 0.00 C ATOM 1373 CE2 PHE A 86 4.171 -2.766 -5.997 1.00 0.00 C ATOM 1374 CZ PHE A 86 4.449 -2.944 -4.655 1.00 0.00 C ATOM 0 H PHE A 86 4.605 -7.481 -5.401 1.00 0.00 H new ATOM 0 HA PHE A 86 3.267 -6.835 -7.900 1.00 0.00 H new ATOM 0 HB2 PHE A 86 6.206 -6.536 -7.197 1.00 0.00 H new ATOM 0 HB3 PHE A 86 5.310 -5.677 -8.434 1.00 0.00 H new ATOM 0 HD1 PHE A 86 5.647 -6.086 -4.760 1.00 0.00 H new ATOM 0 HD2 PHE A 86 4.204 -3.646 -7.939 1.00 0.00 H new ATOM 0 HE1 PHE A 86 5.201 -4.275 -3.165 1.00 0.00 H new ATOM 0 HE2 PHE A 86 3.757 -1.831 -6.345 1.00 0.00 H new ATOM 0 HZ PHE A 86 4.250 -2.149 -3.952 1.00 0.00 H new ATOM 1384 N GLY A 87 5.873 -8.878 -7.864 1.00 0.00 N ATOM 1385 CA GLY A 87 6.588 -9.833 -8.688 1.00 0.00 C ATOM 1386 C GLY A 87 7.936 -9.301 -9.132 1.00 0.00 C ATOM 1387 O GLY A 87 8.904 -10.054 -9.235 1.00 0.00 O ATOM 0 H GLY A 87 6.344 -8.629 -6.994 1.00 0.00 H new ATOM 0 HA2 GLY A 87 6.729 -10.759 -8.131 1.00 0.00 H new ATOM 0 HA3 GLY A 87 5.988 -10.077 -9.564 1.00 0.00 H new ATOM 1391 N VAL A 88 7.998 -7.994 -9.382 1.00 0.00 N ATOM 1392 CA VAL A 88 9.237 -7.337 -9.759 1.00 0.00 C ATOM 1393 C VAL A 88 10.381 -7.704 -8.825 1.00 0.00 C ATOM 1394 O VAL A 88 10.173 -7.919 -7.631 1.00 0.00 O ATOM 1395 CB VAL A 88 9.095 -5.806 -9.743 1.00 0.00 C ATOM 1396 CG1 VAL A 88 9.881 -5.219 -10.889 1.00 0.00 C ATOM 1397 CG2 VAL A 88 7.639 -5.372 -9.804 1.00 0.00 C ATOM 0 H VAL A 88 7.194 -7.369 -9.328 1.00 0.00 H new ATOM 0 HA VAL A 88 9.458 -7.682 -10.769 1.00 0.00 H new ATOM 0 HB VAL A 88 9.495 -5.432 -8.801 1.00 0.00 H new ATOM 0 HG11 VAL A 88 9.782 -4.134 -10.880 1.00 0.00 H new ATOM 0 HG12 VAL A 88 10.932 -5.488 -10.785 1.00 0.00 H new ATOM 0 HG13 VAL A 88 9.498 -5.610 -11.831 1.00 0.00 H new ATOM 0 HG21 VAL A 88 7.583 -4.284 -9.791 1.00 0.00 H new ATOM 0 HG22 VAL A 88 7.186 -5.747 -10.721 1.00 0.00 H new ATOM 0 HG23 VAL A 88 7.103 -5.774 -8.944 1.00 0.00 H new ATOM 1407 N PRO A 89 11.619 -7.710 -9.347 1.00 0.00 N ATOM 1408 CA PRO A 89 12.819 -7.670 -8.513 1.00 0.00 C ATOM 1409 C PRO A 89 13.017 -6.322 -7.826 1.00 0.00 C ATOM 1410 O PRO A 89 13.897 -6.175 -6.978 1.00 0.00 O ATOM 1411 CB PRO A 89 13.952 -7.934 -9.508 1.00 0.00 C ATOM 1412 CG PRO A 89 13.424 -7.449 -10.813 1.00 0.00 C ATOM 1413 CD PRO A 89 11.946 -7.728 -10.787 1.00 0.00 C ATOM 0 HA PRO A 89 12.767 -8.393 -7.699 1.00 0.00 H new ATOM 0 HB2 PRO A 89 14.860 -7.402 -9.225 1.00 0.00 H new ATOM 0 HB3 PRO A 89 14.203 -8.994 -9.551 1.00 0.00 H new ATOM 0 HG2 PRO A 89 13.619 -6.384 -10.942 1.00 0.00 H new ATOM 0 HG3 PRO A 89 13.904 -7.964 -11.645 1.00 0.00 H new ATOM 0 HD2 PRO A 89 11.385 -6.972 -11.336 1.00 0.00 H new ATOM 0 HD3 PRO A 89 11.711 -8.691 -11.240 1.00 0.00 H new ATOM 1421 N SER A 90 12.200 -5.337 -8.196 1.00 0.00 N ATOM 1422 CA SER A 90 12.338 -3.988 -7.650 1.00 0.00 C ATOM 1423 C SER A 90 11.040 -3.194 -7.789 1.00 0.00 C ATOM 1424 O SER A 90 10.356 -3.279 -8.807 1.00 0.00 O ATOM 1425 CB SER A 90 13.464 -3.244 -8.361 1.00 0.00 C ATOM 1426 OG SER A 90 13.244 -3.196 -9.760 1.00 0.00 O ATOM 0 H SER A 90 11.440 -5.446 -8.867 1.00 0.00 H new ATOM 0 HA SER A 90 12.572 -4.084 -6.590 1.00 0.00 H new ATOM 0 HB2 SER A 90 13.539 -2.230 -7.967 1.00 0.00 H new ATOM 0 HB3 SER A 90 14.415 -3.737 -8.157 1.00 0.00 H new ATOM 0 HG SER A 90 13.980 -2.712 -10.190 1.00 0.00 H new ATOM 1432 N PHE A 91 10.739 -2.375 -6.786 1.00 0.00 N ATOM 1433 CA PHE A 91 9.702 -1.357 -6.924 1.00 0.00 C ATOM 1434 C PHE A 91 10.021 -0.134 -6.071 1.00 0.00 C ATOM 1435 O PHE A 91 10.910 -0.175 -5.220 1.00 0.00 O ATOM 1436 CB PHE A 91 8.324 -1.928 -6.563 1.00 0.00 C ATOM 1437 CG PHE A 91 8.075 -2.120 -5.089 1.00 0.00 C ATOM 1438 CD1 PHE A 91 8.428 -3.304 -4.463 1.00 0.00 C ATOM 1439 CD2 PHE A 91 7.461 -1.127 -4.337 1.00 0.00 C ATOM 1440 CE1 PHE A 91 8.178 -3.496 -3.117 1.00 0.00 C ATOM 1441 CE2 PHE A 91 7.210 -1.311 -2.992 1.00 0.00 C ATOM 1442 CZ PHE A 91 7.567 -2.498 -2.380 1.00 0.00 C ATOM 0 H PHE A 91 11.195 -2.395 -5.874 1.00 0.00 H new ATOM 0 HA PHE A 91 9.677 -1.043 -7.968 1.00 0.00 H new ATOM 0 HB2 PHE A 91 7.557 -1.263 -6.961 1.00 0.00 H new ATOM 0 HB3 PHE A 91 8.204 -2.889 -7.064 1.00 0.00 H new ATOM 0 HD1 PHE A 91 8.905 -4.087 -5.034 1.00 0.00 H new ATOM 0 HD2 PHE A 91 7.176 -0.199 -4.810 1.00 0.00 H new ATOM 0 HE1 PHE A 91 8.459 -4.424 -2.642 1.00 0.00 H new ATOM 0 HE2 PHE A 91 6.735 -0.529 -2.419 1.00 0.00 H new ATOM 0 HZ PHE A 91 7.369 -2.646 -1.329 1.00 0.00 H new ATOM 1452 N SER A 92 9.321 0.965 -6.335 1.00 0.00 N ATOM 1453 CA SER A 92 9.657 2.247 -5.727 1.00 0.00 C ATOM 1454 C SER A 92 8.464 2.832 -4.978 1.00 0.00 C ATOM 1455 O SER A 92 7.385 3.009 -5.543 1.00 0.00 O ATOM 1456 CB SER A 92 10.131 3.231 -6.799 1.00 0.00 C ATOM 1457 OG SER A 92 11.316 2.773 -7.426 1.00 0.00 O ATOM 0 H SER A 92 8.519 0.993 -6.965 1.00 0.00 H new ATOM 0 HA SER A 92 10.461 2.079 -5.011 1.00 0.00 H new ATOM 0 HB2 SER A 92 9.349 3.363 -7.546 1.00 0.00 H new ATOM 0 HB3 SER A 92 10.309 4.207 -6.348 1.00 0.00 H new ATOM 0 HG SER A 92 11.596 3.419 -8.108 1.00 0.00 H new ATOM 1463 N VAL A 93 8.678 3.148 -3.705 1.00 0.00 N ATOM 1464 CA VAL A 93 7.660 3.810 -2.895 1.00 0.00 C ATOM 1465 C VAL A 93 7.675 5.318 -3.114 1.00 0.00 C ATOM 1466 O VAL A 93 6.696 6.004 -2.822 1.00 0.00 O ATOM 1467 CB VAL A 93 7.852 3.520 -1.394 1.00 0.00 C ATOM 1468 CG1 VAL A 93 7.092 2.268 -0.989 1.00 0.00 C ATOM 1469 CG2 VAL A 93 9.327 3.392 -1.056 1.00 0.00 C ATOM 0 H VAL A 93 9.549 2.956 -3.210 1.00 0.00 H new ATOM 0 HA VAL A 93 6.698 3.408 -3.214 1.00 0.00 H new ATOM 0 HB VAL A 93 7.448 4.360 -0.828 1.00 0.00 H new ATOM 0 HG11 VAL A 93 7.240 2.080 0.074 1.00 0.00 H new ATOM 0 HG12 VAL A 93 6.029 2.407 -1.188 1.00 0.00 H new ATOM 0 HG13 VAL A 93 7.460 1.417 -1.562 1.00 0.00 H new ATOM 0 HG21 VAL A 93 9.440 3.187 0.009 1.00 0.00 H new ATOM 0 HG22 VAL A 93 9.762 2.575 -1.631 1.00 0.00 H new ATOM 0 HG23 VAL A 93 9.839 4.322 -1.303 1.00 0.00 H new ATOM 1479 N LYS A 94 8.788 5.828 -3.633 1.00 0.00 N ATOM 1480 CA LYS A 94 8.908 7.250 -3.938 1.00 0.00 C ATOM 1481 C LYS A 94 7.757 7.709 -4.825 1.00 0.00 C ATOM 1482 O LYS A 94 7.258 8.826 -4.688 1.00 0.00 O ATOM 1483 CB LYS A 94 10.245 7.535 -4.625 1.00 0.00 C ATOM 1484 CG LYS A 94 10.478 9.007 -4.921 1.00 0.00 C ATOM 1485 CD LYS A 94 11.809 9.240 -5.620 1.00 0.00 C ATOM 1486 CE LYS A 94 11.750 8.865 -7.095 1.00 0.00 C ATOM 1487 NZ LYS A 94 11.567 7.401 -7.296 1.00 0.00 N ATOM 0 H LYS A 94 9.619 5.278 -3.851 1.00 0.00 H new ATOM 0 HA LYS A 94 8.867 7.805 -3.001 1.00 0.00 H new ATOM 0 HB2 LYS A 94 11.054 7.168 -3.993 1.00 0.00 H new ATOM 0 HB3 LYS A 94 10.291 6.974 -5.558 1.00 0.00 H new ATOM 0 HG2 LYS A 94 9.669 9.384 -5.546 1.00 0.00 H new ATOM 0 HG3 LYS A 94 10.453 9.573 -3.990 1.00 0.00 H new ATOM 0 HD2 LYS A 94 12.091 10.288 -5.523 1.00 0.00 H new ATOM 0 HD3 LYS A 94 12.585 8.654 -5.127 1.00 0.00 H new ATOM 0 HE2 LYS A 94 10.929 9.401 -7.572 1.00 0.00 H new ATOM 0 HE3 LYS A 94 12.668 9.186 -7.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 12.032 7.111 -8.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 11.989 6.886 -6.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 10.552 7.182 -7.352 1.00 0.00 H new ATOM 1501 N GLU A 95 7.326 6.827 -5.722 1.00 0.00 N ATOM 1502 CA GLU A 95 6.151 7.078 -6.546 1.00 0.00 C ATOM 1503 C GLU A 95 4.948 6.299 -6.021 1.00 0.00 C ATOM 1504 O GLU A 95 4.703 5.164 -6.431 1.00 0.00 O ATOM 1505 CB GLU A 95 6.436 6.695 -8.000 1.00 0.00 C ATOM 1506 CG GLU A 95 7.172 5.373 -8.146 1.00 0.00 C ATOM 1507 CD GLU A 95 7.449 5.015 -9.593 1.00 0.00 C ATOM 1508 OE1 GLU A 95 8.502 5.431 -10.118 1.00 0.00 O ATOM 1509 OE2 GLU A 95 6.612 4.314 -10.200 1.00 0.00 O ATOM 0 H GLU A 95 7.776 5.928 -5.896 1.00 0.00 H new ATOM 0 HA GLU A 95 5.918 8.142 -6.500 1.00 0.00 H new ATOM 0 HB2 GLU A 95 5.493 6.639 -8.544 1.00 0.00 H new ATOM 0 HB3 GLU A 95 7.026 7.484 -8.466 1.00 0.00 H new ATOM 0 HG2 GLU A 95 8.115 5.425 -7.602 1.00 0.00 H new ATOM 0 HG3 GLU A 95 6.582 4.580 -7.686 1.00 0.00 H new ATOM 1516 N HIS A 96 4.219 6.905 -5.089 1.00 0.00 N ATOM 1517 CA HIS A 96 3.160 6.205 -4.370 1.00 0.00 C ATOM 1518 C HIS A 96 1.970 5.914 -5.275 1.00 0.00 C ATOM 1519 O HIS A 96 1.339 4.863 -5.167 1.00 0.00 O ATOM 1520 CB HIS A 96 2.705 7.024 -3.161 1.00 0.00 C ATOM 1521 CG HIS A 96 3.776 7.233 -2.136 1.00 0.00 C ATOM 1522 ND1 HIS A 96 4.599 8.340 -2.121 1.00 0.00 N ATOM 1523 CD2 HIS A 96 4.156 6.471 -1.081 1.00 0.00 C ATOM 1524 CE1 HIS A 96 5.437 8.251 -1.105 1.00 0.00 C ATOM 1525 NE2 HIS A 96 5.189 7.126 -0.459 1.00 0.00 N ATOM 0 H HIS A 96 4.342 7.879 -4.814 1.00 0.00 H new ATOM 0 HA HIS A 96 3.567 5.254 -4.028 1.00 0.00 H new ATOM 0 HB2 HIS A 96 2.349 7.995 -3.505 1.00 0.00 H new ATOM 0 HB3 HIS A 96 1.859 6.522 -2.692 1.00 0.00 H new ATOM 0 HD2 HIS A 96 3.726 5.525 -0.785 1.00 0.00 H new ATOM 0 HE1 HIS A 96 6.196 8.975 -0.846 1.00 0.00 H new ATOM 0 HE2 HIS A 96 5.685 6.797 0.369 1.00 0.00 H new ATOM 1534 N ARG A 97 1.661 6.850 -6.166 1.00 0.00 N ATOM 1535 CA ARG A 97 0.538 6.687 -7.078 1.00 0.00 C ATOM 1536 C ARG A 97 0.710 5.430 -7.925 1.00 0.00 C ATOM 1537 O ARG A 97 -0.215 4.624 -8.056 1.00 0.00 O ATOM 1538 CB ARG A 97 0.403 7.914 -7.983 1.00 0.00 C ATOM 1539 CG ARG A 97 -0.780 7.839 -8.935 1.00 0.00 C ATOM 1540 CD ARG A 97 -0.913 9.110 -9.761 1.00 0.00 C ATOM 1541 NE ARG A 97 -1.144 10.284 -8.926 1.00 0.00 N ATOM 1542 CZ ARG A 97 -1.453 11.484 -9.408 1.00 0.00 C ATOM 1543 NH1 ARG A 97 -1.568 11.668 -10.717 1.00 0.00 N ATOM 1544 NH2 ARG A 97 -1.649 12.503 -8.582 1.00 0.00 N ATOM 0 H ARG A 97 2.171 7.726 -6.275 1.00 0.00 H new ATOM 0 HA ARG A 97 -0.370 6.585 -6.484 1.00 0.00 H new ATOM 0 HB2 ARG A 97 0.303 8.804 -7.362 1.00 0.00 H new ATOM 0 HB3 ARG A 97 1.319 8.030 -8.563 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -0.660 6.983 -9.599 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -1.696 7.676 -8.367 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -0.007 9.256 -10.349 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -1.737 8.999 -10.466 1.00 0.00 H new ATOM 0 HE ARG A 97 -1.064 10.178 -7.915 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -1.419 10.888 -11.357 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -1.805 12.590 -11.084 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -1.563 12.367 -7.575 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -1.886 13.423 -8.954 1.00 0.00 H new ATOM 1558 N LYS A 98 1.894 5.270 -8.506 1.00 0.00 N ATOM 1559 CA LYS A 98 2.155 4.158 -9.411 1.00 0.00 C ATOM 1560 C LYS A 98 2.437 2.874 -8.639 1.00 0.00 C ATOM 1561 O LYS A 98 2.148 1.778 -9.115 1.00 0.00 O ATOM 1562 CB LYS A 98 3.331 4.482 -10.333 1.00 0.00 C ATOM 1563 CG LYS A 98 3.508 3.483 -11.466 1.00 0.00 C ATOM 1564 CD LYS A 98 4.583 3.927 -12.442 1.00 0.00 C ATOM 1565 CE LYS A 98 4.739 2.941 -13.589 1.00 0.00 C ATOM 1566 NZ LYS A 98 3.482 2.800 -14.374 1.00 0.00 N ATOM 0 H LYS A 98 2.687 5.896 -8.366 1.00 0.00 H new ATOM 0 HA LYS A 98 1.261 4.005 -10.016 1.00 0.00 H new ATOM 0 HB2 LYS A 98 3.188 5.477 -10.755 1.00 0.00 H new ATOM 0 HB3 LYS A 98 4.247 4.515 -9.743 1.00 0.00 H new ATOM 0 HG2 LYS A 98 3.770 2.508 -11.054 1.00 0.00 H new ATOM 0 HG3 LYS A 98 2.563 3.362 -11.996 1.00 0.00 H new ATOM 0 HD2 LYS A 98 4.331 4.911 -12.839 1.00 0.00 H new ATOM 0 HD3 LYS A 98 5.533 4.028 -11.917 1.00 0.00 H new ATOM 0 HE2 LYS A 98 5.542 3.273 -14.247 1.00 0.00 H new ATOM 0 HE3 LYS A 98 5.032 1.968 -13.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 3.686 2.315 -15.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 2.793 2.244 -13.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 3.088 3.742 -14.571 1.00 0.00 H new ATOM 1580 N ILE A 99 3.007 3.011 -7.447 1.00 0.00 N ATOM 1581 CA ILE A 99 3.375 1.851 -6.646 1.00 0.00 C ATOM 1582 C ILE A 99 2.131 1.132 -6.128 1.00 0.00 C ATOM 1583 O ILE A 99 2.098 -0.099 -6.047 1.00 0.00 O ATOM 1584 CB ILE A 99 4.305 2.243 -5.470 1.00 0.00 C ATOM 1585 CG1 ILE A 99 5.068 1.019 -4.958 1.00 0.00 C ATOM 1586 CG2 ILE A 99 3.531 2.888 -4.334 1.00 0.00 C ATOM 1587 CD1 ILE A 99 4.295 0.195 -3.947 1.00 0.00 C ATOM 0 H ILE A 99 3.223 3.910 -7.016 1.00 0.00 H new ATOM 0 HA ILE A 99 3.926 1.168 -7.293 1.00 0.00 H new ATOM 0 HB ILE A 99 5.018 2.976 -5.848 1.00 0.00 H new ATOM 0 HG12 ILE A 99 5.330 0.385 -5.805 1.00 0.00 H new ATOM 0 HG13 ILE A 99 6.003 1.349 -4.505 1.00 0.00 H new ATOM 0 HG21 ILE A 99 4.217 3.149 -3.528 1.00 0.00 H new ATOM 0 HG22 ILE A 99 3.037 3.790 -4.696 1.00 0.00 H new ATOM 0 HG23 ILE A 99 2.782 2.189 -3.961 1.00 0.00 H new ATOM 0 HD11 ILE A 99 4.900 -0.655 -3.631 1.00 0.00 H new ATOM 0 HD12 ILE A 99 4.056 0.812 -3.081 1.00 0.00 H new ATOM 0 HD13 ILE A 99 3.372 -0.166 -4.401 1.00 0.00 H new ATOM 1599 N TYR A 100 1.098 1.900 -5.800 1.00 0.00 N ATOM 1600 CA TYR A 100 -0.130 1.333 -5.262 1.00 0.00 C ATOM 1601 C TYR A 100 -1.075 0.886 -6.375 1.00 0.00 C ATOM 1602 O TYR A 100 -1.847 -0.056 -6.197 1.00 0.00 O ATOM 1603 CB TYR A 100 -0.824 2.342 -4.346 1.00 0.00 C ATOM 1604 CG TYR A 100 -0.277 2.332 -2.937 1.00 0.00 C ATOM 1605 CD1 TYR A 100 0.910 1.675 -2.640 1.00 0.00 C ATOM 1606 CD2 TYR A 100 -0.946 2.973 -1.903 1.00 0.00 C ATOM 1607 CE1 TYR A 100 1.414 1.654 -1.359 1.00 0.00 C ATOM 1608 CE2 TYR A 100 -0.446 2.958 -0.615 1.00 0.00 C ATOM 1609 CZ TYR A 100 0.734 2.296 -0.348 1.00 0.00 C ATOM 1610 OH TYR A 100 1.235 2.279 0.933 1.00 0.00 O ATOM 0 H TYR A 100 1.088 2.915 -5.898 1.00 0.00 H new ATOM 0 HA TYR A 100 0.137 0.451 -4.680 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -0.714 3.342 -4.766 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -1.892 2.124 -4.317 1.00 0.00 H new ATOM 0 HD1 TYR A 100 1.448 1.171 -3.429 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -1.871 3.491 -2.108 1.00 0.00 H new ATOM 0 HE1 TYR A 100 2.338 1.137 -1.148 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -0.977 3.462 0.179 1.00 0.00 H new ATOM 0 HH TYR A 100 1.404 3.197 1.230 1.00 0.00 H new ATOM 1620 N THR A 101 -1.007 1.555 -7.523 1.00 0.00 N ATOM 1621 CA THR A 101 -1.832 1.175 -8.664 1.00 0.00 C ATOM 1622 C THR A 101 -1.387 -0.167 -9.237 1.00 0.00 C ATOM 1623 O THR A 101 -2.192 -0.908 -9.801 1.00 0.00 O ATOM 1624 CB THR A 101 -1.803 2.240 -9.777 1.00 0.00 C ATOM 1625 OG1 THR A 101 -2.817 1.959 -10.750 1.00 0.00 O ATOM 1626 CG2 THR A 101 -0.446 2.277 -10.457 1.00 0.00 C ATOM 0 H THR A 101 -0.395 2.355 -7.686 1.00 0.00 H new ATOM 0 HA THR A 101 -2.854 1.091 -8.296 1.00 0.00 H new ATOM 0 HB THR A 101 -1.992 3.212 -9.321 1.00 0.00 H new ATOM 0 HG1 THR A 101 -2.793 2.641 -11.453 1.00 0.00 H new ATOM 0 HG21 THR A 101 -0.451 3.037 -11.239 1.00 0.00 H new ATOM 0 HG22 THR A 101 0.323 2.517 -9.722 1.00 0.00 H new ATOM 0 HG23 THR A 101 -0.234 1.303 -10.899 1.00 0.00 H new ATOM 1634 N MET A 102 -0.108 -0.493 -9.057 1.00 0.00 N ATOM 1635 CA MET A 102 0.384 -1.833 -9.360 1.00 0.00 C ATOM 1636 C MET A 102 -0.125 -2.829 -8.334 1.00 0.00 C ATOM 1637 O MET A 102 -0.634 -3.894 -8.688 1.00 0.00 O ATOM 1638 CB MET A 102 1.912 -1.864 -9.376 1.00 0.00 C ATOM 1639 CG MET A 102 2.529 -0.878 -10.344 1.00 0.00 C ATOM 1640 SD MET A 102 4.331 -0.931 -10.332 1.00 0.00 S ATOM 1641 CE MET A 102 4.669 -0.527 -8.621 1.00 0.00 C ATOM 0 H MET A 102 0.602 0.149 -8.705 1.00 0.00 H new ATOM 0 HA MET A 102 0.014 -2.107 -10.348 1.00 0.00 H new ATOM 0 HB2 MET A 102 2.282 -1.654 -8.372 1.00 0.00 H new ATOM 0 HB3 MET A 102 2.244 -2.870 -9.634 1.00 0.00 H new ATOM 0 HG2 MET A 102 2.170 -1.090 -11.351 1.00 0.00 H new ATOM 0 HG3 MET A 102 2.197 0.129 -10.092 1.00 0.00 H new ATOM 0 HE1 MET A 102 5.208 0.419 -8.570 1.00 0.00 H new ATOM 0 HE2 MET A 102 3.729 -0.440 -8.075 1.00 0.00 H new ATOM 0 HE3 MET A 102 5.276 -1.314 -8.174 1.00 0.00 H new ATOM 1651 N ILE A 103 0.034 -2.486 -7.058 1.00 0.00 N ATOM 1652 CA ILE A 103 -0.325 -3.394 -5.980 1.00 0.00 C ATOM 1653 C ILE A 103 -1.728 -3.962 -6.179 1.00 0.00 C ATOM 1654 O ILE A 103 -1.981 -5.134 -5.900 1.00 0.00 O ATOM 1655 CB ILE A 103 -0.248 -2.705 -4.602 1.00 0.00 C ATOM 1656 CG1 ILE A 103 1.202 -2.353 -4.269 1.00 0.00 C ATOM 1657 CG2 ILE A 103 -0.844 -3.599 -3.523 1.00 0.00 C ATOM 1658 CD1 ILE A 103 1.368 -1.641 -2.945 1.00 0.00 C ATOM 0 H ILE A 103 0.408 -1.589 -6.749 1.00 0.00 H new ATOM 0 HA ILE A 103 0.400 -4.208 -6.005 1.00 0.00 H new ATOM 0 HB ILE A 103 -0.829 -1.784 -4.640 1.00 0.00 H new ATOM 0 HG12 ILE A 103 1.794 -3.268 -4.256 1.00 0.00 H new ATOM 0 HG13 ILE A 103 1.605 -1.724 -5.063 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -0.781 -3.096 -2.558 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -1.888 -3.805 -3.757 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -0.290 -4.537 -3.480 1.00 0.00 H new ATOM 0 HD11 ILE A 103 2.423 -1.424 -2.778 1.00 0.00 H new ATOM 0 HD12 ILE A 103 0.804 -0.708 -2.960 1.00 0.00 H new ATOM 0 HD13 ILE A 103 0.997 -2.276 -2.141 1.00 0.00 H new ATOM 1670 N TYR A 104 -2.639 -3.122 -6.668 1.00 0.00 N ATOM 1671 CA TYR A 104 -4.013 -3.543 -6.909 1.00 0.00 C ATOM 1672 C TYR A 104 -4.258 -3.788 -8.394 1.00 0.00 C ATOM 1673 O TYR A 104 -4.229 -2.858 -9.201 1.00 0.00 O ATOM 1674 CB TYR A 104 -4.991 -2.492 -6.383 1.00 0.00 C ATOM 1675 CG TYR A 104 -4.922 -2.298 -4.885 1.00 0.00 C ATOM 1676 CD1 TYR A 104 -4.053 -1.372 -4.323 1.00 0.00 C ATOM 1677 CD2 TYR A 104 -5.726 -3.045 -4.034 1.00 0.00 C ATOM 1678 CE1 TYR A 104 -3.986 -1.195 -2.954 1.00 0.00 C ATOM 1679 CE2 TYR A 104 -5.665 -2.874 -2.663 1.00 0.00 C ATOM 1680 CZ TYR A 104 -4.795 -1.948 -2.130 1.00 0.00 C ATOM 1681 OH TYR A 104 -4.731 -1.775 -0.766 1.00 0.00 O ATOM 0 H TYR A 104 -2.448 -2.148 -6.904 1.00 0.00 H new ATOM 0 HA TYR A 104 -4.177 -4.479 -6.376 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -4.788 -1.540 -6.874 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -6.005 -2.782 -6.657 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -3.419 -0.780 -4.967 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -6.410 -3.771 -4.449 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -3.304 -0.471 -2.532 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -6.296 -3.463 -2.014 1.00 0.00 H new ATOM 0 HH TYR A 104 -5.005 -0.862 -0.539 1.00 0.00 H new