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 62 MET CE :methyl 162:sc= 0 (180deg=0) USER MOD Set 1.2: A 67 TYR OH : rot 130:sc= -0.95 USER MOD Set 1.3: A 72 GLN : amide:sc= -1.06 K(o=-2,f=-0.86) USER MOD Single : A 26 THR OG1 : rot 93:sc= -2.14 USER MOD Single : A 31 LYS NZ :NH3+ -160:sc= -1.87 (180deg=-2.69!) USER MOD Single : A 36 LYS NZ :NH3+ -167:sc= -0.0298 (180deg=-0.258) USER MOD Single : A 39 LYS NZ :NH3+ -133:sc= -0.428 (180deg=-0.82) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -1.02 K(o=-1,f=0) USER MOD Single : A 45 LYS NZ :NH3+ -138:sc= -2! (180deg=-3.11!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 0:sc= -4! USER MOD Single : A 49 THR OG1 : rot 180:sc= -1.54! USER MOD Single : A 50 MET CE :methyl -168:sc= -3.67! (180deg=-3.96!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot -14:sc= 0.415 USER MOD Single : A 59 GLN : amide:sc= 0.117 X(o=0.12,f=-0.07) USER MOD Single : A 60 TYR OH : rot -156:sc= -2.6! USER MOD Single : A 63 THR OG1 : rot -30:sc= -0.493 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -1.09 K(o=-1.1,f=0) USER MOD Single : A 73 HIS : no HD1:sc= -3.13 K(o=-3.1,f=-1.4) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 CYS SG : rot -62:sc= -2.69! USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.0789 X(o=-0.079,f=-0.17) USER MOD Single : A 90 SER OG : rot 38:sc= 0.158 USER MOD Single : A 92 SER OG : rot 41:sc= -0.717 USER MOD Single : A 94 LYS NZ :NH3+ 165:sc= -0.0338 (180deg=-0.294) USER MOD Single : A 96 HIS : no HD1:sc= -2.36! C(o=-2.4!,f=-2.3!) USER MOD Single : A 98 LYS NZ :NH3+ 164:sc= -0.0407 (180deg=-0.296) USER MOD Single : A 100 TYR OH : rot 101:sc= -3.49! USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 MET CE :methyl -124:sc= -8.62! (180deg=-11.7!) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 347 N THR A 26 -11.116 3.519 -0.621 1.00 0.00 N ATOM 348 CA THR A 26 -11.495 2.115 -0.508 1.00 0.00 C ATOM 349 C THR A 26 -12.133 1.802 0.837 1.00 0.00 C ATOM 350 O THR A 26 -12.047 2.584 1.783 1.00 0.00 O ATOM 351 CB THR A 26 -10.270 1.204 -0.668 1.00 0.00 C ATOM 352 OG1 THR A 26 -10.691 -0.123 -0.990 1.00 0.00 O ATOM 353 CG2 THR A 26 -9.450 1.184 0.609 1.00 0.00 C ATOM 0 HA THR A 26 -12.218 1.930 -1.303 1.00 0.00 H new ATOM 0 HB THR A 26 -9.651 1.595 -1.475 1.00 0.00 H new ATOM 0 HG1 THR A 26 -10.707 -0.234 -1.964 1.00 0.00 H new ATOM 0 HG21 THR A 26 -8.586 0.533 0.476 1.00 0.00 H new ATOM 0 HG22 THR A 26 -9.111 2.194 0.840 1.00 0.00 H new ATOM 0 HG23 THR A 26 -10.063 0.811 1.429 1.00 0.00 H new ATOM 361 N LEU A 27 -12.642 0.582 0.940 1.00 0.00 N ATOM 362 CA LEU A 27 -12.525 -0.198 2.154 1.00 0.00 C ATOM 363 C LEU A 27 -12.240 -1.641 1.780 1.00 0.00 C ATOM 364 O LEU A 27 -13.102 -2.512 1.897 1.00 0.00 O ATOM 365 CB LEU A 27 -13.793 -0.111 2.999 1.00 0.00 C ATOM 366 CG LEU A 27 -13.540 -0.094 4.505 1.00 0.00 C ATOM 367 CD1 LEU A 27 -12.500 -1.143 4.876 1.00 0.00 C ATOM 368 CD2 LEU A 27 -13.079 1.285 4.935 1.00 0.00 C ATOM 0 H LEU A 27 -13.144 0.112 0.187 1.00 0.00 H new ATOM 0 HA LEU A 27 -11.708 0.203 2.754 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.339 0.791 2.723 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -14.435 -0.958 2.759 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.469 -0.331 5.024 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.329 -1.121 5.952 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.860 -2.130 4.586 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.566 -0.930 4.355 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -12.900 1.290 6.010 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -12.157 1.540 4.413 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -13.848 2.018 4.692 1.00 0.00 H new ATOM 380 N VAL A 28 -11.053 -1.855 1.236 1.00 0.00 N ATOM 381 CA VAL A 28 -10.805 -3.001 0.377 1.00 0.00 C ATOM 382 C VAL A 28 -10.499 -4.236 1.201 1.00 0.00 C ATOM 383 O VAL A 28 -9.965 -4.143 2.305 1.00 0.00 O ATOM 384 CB VAL A 28 -9.643 -2.734 -0.600 1.00 0.00 C ATOM 385 CG1 VAL A 28 -8.547 -1.956 0.098 1.00 0.00 C ATOM 386 CG2 VAL A 28 -9.103 -4.032 -1.173 1.00 0.00 C ATOM 0 H VAL A 28 -10.245 -1.249 1.375 1.00 0.00 H new ATOM 0 HA VAL A 28 -11.713 -3.171 -0.202 1.00 0.00 H new ATOM 0 HB VAL A 28 -10.020 -2.138 -1.431 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.730 -1.772 -0.600 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.944 -1.004 0.451 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.176 -2.531 0.947 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -8.284 -3.814 -1.859 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -8.739 -4.664 -0.363 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -9.897 -4.551 -1.709 1.00 0.00 H new ATOM 396 N ARG A 29 -10.864 -5.390 0.671 1.00 0.00 N ATOM 397 CA ARG A 29 -10.774 -6.623 1.422 1.00 0.00 C ATOM 398 C ARG A 29 -10.036 -7.691 0.617 1.00 0.00 C ATOM 399 O ARG A 29 -10.647 -8.627 0.101 1.00 0.00 O ATOM 400 CB ARG A 29 -12.179 -7.099 1.790 1.00 0.00 C ATOM 401 CG ARG A 29 -13.118 -5.962 2.170 1.00 0.00 C ATOM 402 CD ARG A 29 -14.514 -6.474 2.491 1.00 0.00 C ATOM 403 NE ARG A 29 -15.108 -7.184 1.364 1.00 0.00 N ATOM 404 CZ ARG A 29 -16.308 -7.757 1.403 1.00 0.00 C ATOM 405 NH1 ARG A 29 -17.038 -7.702 2.509 1.00 0.00 N ATOM 406 NH2 ARG A 29 -16.781 -8.386 0.335 1.00 0.00 N ATOM 0 H ARG A 29 -11.225 -5.496 -0.277 1.00 0.00 H new ATOM 0 HA ARG A 29 -10.208 -6.443 2.336 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -12.603 -7.645 0.947 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -12.112 -7.799 2.622 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -12.717 -5.431 3.033 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -13.172 -5.245 1.351 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -14.467 -7.138 3.354 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -15.153 -5.636 2.769 1.00 0.00 H new ATOM 0 HE ARG A 29 -14.573 -7.245 0.497 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -16.680 -7.219 3.333 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -17.958 -8.142 2.535 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -16.224 -8.431 -0.519 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -17.701 -8.825 0.367 1.00 0.00 H new ATOM 420 N PRO A 30 -8.707 -7.538 0.475 1.00 0.00 N ATOM 421 CA PRO A 30 -7.904 -8.377 -0.420 1.00 0.00 C ATOM 422 C PRO A 30 -7.701 -9.787 0.123 1.00 0.00 C ATOM 423 O PRO A 30 -7.604 -9.991 1.333 1.00 0.00 O ATOM 424 CB PRO A 30 -6.568 -7.636 -0.489 1.00 0.00 C ATOM 425 CG PRO A 30 -6.480 -6.899 0.802 1.00 0.00 C ATOM 426 CD PRO A 30 -7.890 -6.518 1.159 1.00 0.00 C ATOM 0 HA PRO A 30 -8.386 -8.515 -1.388 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -5.736 -8.330 -0.607 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -6.537 -6.953 -1.338 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -6.036 -7.523 1.578 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -5.850 -6.015 0.704 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -8.049 -6.534 2.237 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -8.133 -5.513 0.815 1.00 0.00 H new ATOM 434 N LYS A 31 -7.611 -10.754 -0.785 1.00 0.00 N ATOM 435 CA LYS A 31 -7.257 -12.119 -0.418 1.00 0.00 C ATOM 436 C LYS A 31 -5.781 -12.204 -0.034 1.00 0.00 C ATOM 437 O LYS A 31 -4.976 -11.381 -0.469 1.00 0.00 O ATOM 438 CB LYS A 31 -7.565 -13.076 -1.575 1.00 0.00 C ATOM 439 CG LYS A 31 -7.017 -12.620 -2.921 1.00 0.00 C ATOM 440 CD LYS A 31 -5.538 -12.940 -3.072 1.00 0.00 C ATOM 441 CE LYS A 31 -5.289 -14.440 -3.098 1.00 0.00 C ATOM 442 NZ LYS A 31 -3.844 -14.760 -3.256 1.00 0.00 N ATOM 0 H LYS A 31 -7.779 -10.616 -1.782 1.00 0.00 H new ATOM 0 HA LYS A 31 -7.854 -12.412 0.445 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.153 -14.057 -1.340 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.645 -13.195 -1.656 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.576 -13.103 -3.722 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -7.168 -11.546 -3.029 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.160 -12.492 -3.991 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.982 -12.493 -2.248 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.661 -14.886 -2.175 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.852 -14.887 -3.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.740 -15.735 -3.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.415 -14.102 -3.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.366 -14.668 -2.337 1.00 0.00 H new ATOM 456 N PRO A 32 -5.413 -13.192 0.807 1.00 0.00 N ATOM 457 CA PRO A 32 -4.045 -13.323 1.327 1.00 0.00 C ATOM 458 C PRO A 32 -2.988 -13.217 0.233 1.00 0.00 C ATOM 459 O PRO A 32 -2.630 -14.213 -0.395 1.00 0.00 O ATOM 460 CB PRO A 32 -4.040 -14.720 1.944 1.00 0.00 C ATOM 461 CG PRO A 32 -5.453 -14.957 2.349 1.00 0.00 C ATOM 462 CD PRO A 32 -6.303 -14.248 1.328 1.00 0.00 C ATOM 0 HA PRO A 32 -3.798 -12.527 2.030 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -3.702 -15.469 1.227 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -3.368 -14.773 2.801 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -5.679 -16.023 2.372 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -5.642 -14.570 3.350 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -6.628 -14.925 0.537 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.203 -13.828 1.778 1.00 0.00 H new ATOM 470 N LEU A 33 -2.486 -12.002 0.013 1.00 0.00 N ATOM 471 CA LEU A 33 -1.454 -11.775 -0.995 1.00 0.00 C ATOM 472 C LEU A 33 -0.888 -10.361 -0.895 1.00 0.00 C ATOM 473 O LEU A 33 0.154 -10.058 -1.473 1.00 0.00 O ATOM 474 CB LEU A 33 -2.021 -12.029 -2.396 1.00 0.00 C ATOM 475 CG LEU A 33 -0.999 -11.984 -3.537 1.00 0.00 C ATOM 476 CD1 LEU A 33 -1.327 -13.035 -4.586 1.00 0.00 C ATOM 477 CD2 LEU A 33 -0.956 -10.597 -4.162 1.00 0.00 C ATOM 0 H LEU A 33 -2.776 -11.164 0.517 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.638 -12.474 -0.812 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.504 -13.006 -2.402 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.796 -11.289 -2.596 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.014 -12.204 -3.126 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.591 -12.989 -5.389 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.305 -14.024 -4.129 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.320 -12.846 -4.993 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.225 -10.585 -4.970 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.940 -10.346 -4.559 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.673 -9.866 -3.405 1.00 0.00 H new ATOM 489 N LEU A 34 -1.565 -9.511 -0.134 1.00 0.00 N ATOM 490 CA LEU A 34 -1.077 -8.175 0.154 1.00 0.00 C ATOM 491 C LEU A 34 -1.109 -7.977 1.656 1.00 0.00 C ATOM 492 O LEU A 34 -0.161 -7.475 2.257 1.00 0.00 O ATOM 493 CB LEU A 34 -1.947 -7.135 -0.572 1.00 0.00 C ATOM 494 CG LEU A 34 -1.862 -5.695 -0.052 1.00 0.00 C ATOM 495 CD1 LEU A 34 -2.721 -5.537 1.193 1.00 0.00 C ATOM 496 CD2 LEU A 34 -0.419 -5.296 0.225 1.00 0.00 C ATOM 0 H LEU A 34 -2.463 -9.730 0.298 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.054 -8.049 -0.201 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.671 -7.135 -1.627 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.986 -7.459 -0.515 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.244 -5.026 -0.824 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.653 -4.511 1.554 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.758 -5.769 0.951 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.368 -6.218 1.967 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.389 -4.270 0.592 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.005 -5.963 0.976 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.162 -5.369 -0.695 1.00 0.00 H new ATOM 508 N LEU A 35 -2.173 -8.489 2.258 1.00 0.00 N ATOM 509 CA LEU A 35 -2.125 -8.943 3.624 1.00 0.00 C ATOM 510 C LEU A 35 -1.477 -10.315 3.678 1.00 0.00 C ATOM 511 O LEU A 35 -1.067 -10.856 2.650 1.00 0.00 O ATOM 512 CB LEU A 35 -3.531 -8.992 4.217 1.00 0.00 C ATOM 513 CG LEU A 35 -4.662 -8.967 3.191 1.00 0.00 C ATOM 514 CD1 LEU A 35 -4.713 -10.286 2.432 1.00 0.00 C ATOM 515 CD2 LEU A 35 -5.992 -8.670 3.870 1.00 0.00 C ATOM 0 H LEU A 35 -3.083 -8.597 1.810 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.531 -8.245 4.214 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.625 -9.897 4.818 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.654 -8.146 4.893 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.469 -8.170 2.473 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.523 -10.256 1.704 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.767 -10.445 1.915 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.886 -11.103 3.133 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.786 -8.656 3.124 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -6.203 -9.442 4.610 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.940 -7.699 4.363 1.00 0.00 H new ATOM 527 N LYS A 36 -1.336 -10.838 4.883 1.00 0.00 N ATOM 528 CA LYS A 36 -0.386 -11.912 5.160 1.00 0.00 C ATOM 529 C LYS A 36 1.054 -11.439 4.944 1.00 0.00 C ATOM 530 O LYS A 36 1.965 -11.854 5.659 1.00 0.00 O ATOM 531 CB LYS A 36 -0.690 -13.124 4.284 1.00 0.00 C ATOM 532 CG LYS A 36 0.196 -14.324 4.570 1.00 0.00 C ATOM 533 CD LYS A 36 -0.144 -15.496 3.665 1.00 0.00 C ATOM 534 CE LYS A 36 0.734 -16.702 3.959 1.00 0.00 C ATOM 535 NZ LYS A 36 2.178 -16.402 3.756 1.00 0.00 N ATOM 0 H LYS A 36 -1.872 -10.535 5.696 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.491 -12.201 6.206 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.732 -13.411 4.426 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.577 -12.842 3.237 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.241 -14.047 4.431 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.081 -14.622 5.612 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.192 -15.767 3.797 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.020 -15.200 2.623 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.572 -17.027 4.987 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.441 -17.530 3.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.719 -17.290 3.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.306 -15.912 2.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.518 -15.795 4.529 1.00 0.00 H new ATOM 549 N LEU A 37 1.237 -10.519 3.999 1.00 0.00 N ATOM 550 CA LEU A 37 2.426 -9.691 3.952 1.00 0.00 C ATOM 551 C LEU A 37 2.315 -8.590 4.996 1.00 0.00 C ATOM 552 O LEU A 37 3.311 -8.008 5.420 1.00 0.00 O ATOM 553 CB LEU A 37 2.580 -9.098 2.546 1.00 0.00 C ATOM 554 CG LEU A 37 3.591 -7.959 2.415 1.00 0.00 C ATOM 555 CD1 LEU A 37 4.222 -7.956 1.036 1.00 0.00 C ATOM 556 CD2 LEU A 37 2.910 -6.634 2.683 1.00 0.00 C ATOM 0 H LEU A 37 0.567 -10.332 3.253 1.00 0.00 H new ATOM 0 HA LEU A 37 3.309 -10.291 4.173 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.870 -9.897 1.864 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.607 -8.735 2.216 1.00 0.00 H new ATOM 0 HG LEU A 37 4.382 -8.109 3.150 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.938 -7.137 0.965 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.736 -8.903 0.869 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.446 -7.826 0.281 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.636 -5.826 2.588 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.106 -6.486 1.962 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.497 -6.634 3.692 1.00 0.00 H new ATOM 568 N LEU A 38 1.084 -8.326 5.419 1.00 0.00 N ATOM 569 CA LEU A 38 0.828 -7.360 6.475 1.00 0.00 C ATOM 570 C LEU A 38 0.389 -8.060 7.757 1.00 0.00 C ATOM 571 O LEU A 38 0.633 -7.568 8.858 1.00 0.00 O ATOM 572 CB LEU A 38 -0.240 -6.368 6.025 1.00 0.00 C ATOM 573 CG LEU A 38 0.070 -5.649 4.714 1.00 0.00 C ATOM 574 CD1 LEU A 38 -1.135 -4.856 4.241 1.00 0.00 C ATOM 575 CD2 LEU A 38 1.276 -4.744 4.880 1.00 0.00 C ATOM 0 H LEU A 38 0.246 -8.771 5.044 1.00 0.00 H new ATOM 0 HA LEU A 38 1.753 -6.821 6.681 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.187 -6.898 5.918 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.378 -5.623 6.809 1.00 0.00 H new ATOM 0 HG LEU A 38 0.303 -6.397 3.956 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.894 -4.351 3.306 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.976 -5.531 4.083 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.402 -4.115 4.995 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.484 -4.239 3.937 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.071 -4.002 5.652 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.141 -5.340 5.171 1.00 0.00 H new ATOM 587 N LYS A 39 -0.244 -9.218 7.606 1.00 0.00 N ATOM 588 CA LYS A 39 -0.638 -10.029 8.755 1.00 0.00 C ATOM 589 C LYS A 39 0.588 -10.592 9.468 1.00 0.00 C ATOM 590 O LYS A 39 0.469 -11.237 10.511 1.00 0.00 O ATOM 591 CB LYS A 39 -1.554 -11.169 8.312 1.00 0.00 C ATOM 592 CG LYS A 39 -2.879 -10.695 7.735 1.00 0.00 C ATOM 593 CD LYS A 39 -3.701 -11.855 7.201 1.00 0.00 C ATOM 594 CE LYS A 39 -5.029 -11.382 6.633 1.00 0.00 C ATOM 595 NZ LYS A 39 -5.873 -10.722 7.666 1.00 0.00 N ATOM 0 H LYS A 39 -0.496 -9.617 6.702 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.180 -9.389 9.452 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.036 -11.771 7.565 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.750 -11.819 9.165 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.445 -10.171 8.505 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.693 -9.980 6.933 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -3.138 -12.375 6.427 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.881 -12.573 8.001 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.846 -10.685 5.815 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.567 -12.232 6.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -6.842 -11.096 7.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.479 -10.912 8.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.889 -9.696 7.498 1.00 0.00 H new ATOM 609 N SER A 40 1.764 -10.343 8.900 1.00 0.00 N ATOM 610 CA SER A 40 3.013 -10.815 9.487 1.00 0.00 C ATOM 611 C SER A 40 3.753 -9.680 10.191 1.00 0.00 C ATOM 612 O SER A 40 4.478 -9.907 11.159 1.00 0.00 O ATOM 613 CB SER A 40 3.908 -11.428 8.407 1.00 0.00 C ATOM 614 OG SER A 40 5.130 -11.886 8.956 1.00 0.00 O ATOM 0 H SER A 40 1.878 -9.817 8.034 1.00 0.00 H new ATOM 0 HA SER A 40 2.769 -11.577 10.227 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.388 -12.257 7.927 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.109 -10.687 7.633 1.00 0.00 H new ATOM 0 HG SER A 40 5.683 -12.274 8.246 1.00 0.00 H new ATOM 620 N VAL A 41 3.572 -8.459 9.694 1.00 0.00 N ATOM 621 CA VAL A 41 4.268 -7.303 10.241 1.00 0.00 C ATOM 622 C VAL A 41 3.555 -6.759 11.478 1.00 0.00 C ATOM 623 O VAL A 41 4.189 -6.188 12.368 1.00 0.00 O ATOM 624 CB VAL A 41 4.415 -6.185 9.182 1.00 0.00 C ATOM 625 CG1 VAL A 41 3.120 -5.988 8.416 1.00 0.00 C ATOM 626 CG2 VAL A 41 4.852 -4.880 9.823 1.00 0.00 C ATOM 0 H VAL A 41 2.949 -8.247 8.914 1.00 0.00 H new ATOM 0 HA VAL A 41 5.263 -7.637 10.535 1.00 0.00 H new ATOM 0 HB VAL A 41 5.187 -6.497 8.478 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.251 -5.197 7.678 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.852 -6.915 7.910 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.326 -5.710 9.109 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.947 -4.112 9.056 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.109 -4.569 10.558 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.814 -5.021 10.317 1.00 0.00 H new ATOM 636 N GLY A 42 2.243 -6.971 11.555 1.00 0.00 N ATOM 637 CA GLY A 42 1.519 -6.653 12.773 1.00 0.00 C ATOM 638 C GLY A 42 0.043 -6.390 12.540 1.00 0.00 C ATOM 639 O GLY A 42 -0.605 -5.714 13.340 1.00 0.00 O ATOM 0 H GLY A 42 1.673 -7.354 10.801 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.628 -7.477 13.478 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.969 -5.775 13.237 1.00 0.00 H new ATOM 643 N ALA A 43 -0.497 -6.938 11.457 1.00 0.00 N ATOM 644 CA ALA A 43 -1.925 -6.824 11.178 1.00 0.00 C ATOM 645 C ALA A 43 -2.741 -7.761 12.063 1.00 0.00 C ATOM 646 O ALA A 43 -2.187 -8.532 12.848 1.00 0.00 O ATOM 647 CB ALA A 43 -2.207 -7.117 9.714 1.00 0.00 C ATOM 0 H ALA A 43 0.030 -7.464 10.760 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.224 -5.800 11.400 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.277 -7.027 9.524 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.667 -6.405 9.090 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.880 -8.129 9.476 1.00 0.00 H new ATOM 653 N GLN A 44 -4.061 -7.694 11.920 1.00 0.00 N ATOM 654 CA GLN A 44 -4.962 -8.570 12.661 1.00 0.00 C ATOM 655 C GLN A 44 -6.373 -8.503 12.084 1.00 0.00 C ATOM 656 O GLN A 44 -7.188 -9.399 12.303 1.00 0.00 O ATOM 657 CB GLN A 44 -4.983 -8.182 14.142 1.00 0.00 C ATOM 658 CG GLN A 44 -5.835 -9.102 15.001 1.00 0.00 C ATOM 659 CD GLN A 44 -5.837 -8.706 16.465 1.00 0.00 C ATOM 660 OE1 GLN A 44 -6.820 -8.918 17.176 1.00 0.00 O ATOM 661 NE2 GLN A 44 -4.733 -8.129 16.926 1.00 0.00 N ATOM 0 H GLN A 44 -4.532 -7.039 11.295 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.597 -9.593 12.569 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.962 -8.185 14.524 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -5.356 -7.162 14.236 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -6.859 -9.096 14.627 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -5.467 -10.124 14.906 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -3.941 -7.972 16.303 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -4.677 -7.843 17.903 1.00 0.00 H new ATOM 670 N LYS A 45 -6.653 -7.435 11.343 1.00 0.00 N ATOM 671 CA LYS A 45 -7.961 -7.249 10.726 1.00 0.00 C ATOM 672 C LYS A 45 -8.134 -8.177 9.529 1.00 0.00 C ATOM 673 O LYS A 45 -7.171 -8.779 9.054 1.00 0.00 O ATOM 674 CB LYS A 45 -8.138 -5.795 10.284 1.00 0.00 C ATOM 675 CG LYS A 45 -7.919 -4.786 11.399 1.00 0.00 C ATOM 676 CD LYS A 45 -8.174 -3.363 10.924 1.00 0.00 C ATOM 677 CE LYS A 45 -7.210 -2.959 9.819 1.00 0.00 C ATOM 678 NZ LYS A 45 -7.473 -1.577 9.334 1.00 0.00 N ATOM 0 H LYS A 45 -5.989 -6.684 11.155 1.00 0.00 H new ATOM 0 HA LYS A 45 -8.722 -7.493 11.468 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.441 -5.584 9.473 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.143 -5.667 9.882 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.581 -5.016 12.234 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.898 -4.869 11.770 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.199 -3.278 10.562 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.074 -2.675 11.764 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.186 -3.026 10.187 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.296 -3.659 8.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.401 -1.554 8.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.429 -1.284 9.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.773 -0.926 9.744 1.00 0.00 H new ATOM 692 N ASP A 46 -9.367 -8.281 9.040 1.00 0.00 N ATOM 693 CA ASP A 46 -9.662 -9.110 7.876 1.00 0.00 C ATOM 694 C ASP A 46 -9.798 -8.254 6.620 1.00 0.00 C ATOM 695 O ASP A 46 -9.987 -8.775 5.521 1.00 0.00 O ATOM 696 CB ASP A 46 -10.945 -9.911 8.104 1.00 0.00 C ATOM 697 CG ASP A 46 -12.146 -9.022 8.360 1.00 0.00 C ATOM 698 OD1 ASP A 46 -12.399 -8.689 9.537 1.00 0.00 O ATOM 699 OD2 ASP A 46 -12.835 -8.660 7.382 1.00 0.00 O ATOM 0 H ASP A 46 -10.177 -7.801 9.432 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.832 -9.802 7.735 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -11.139 -10.536 7.233 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -10.805 -10.581 8.952 1.00 0.00 H new ATOM 704 N THR A 47 -9.689 -6.940 6.792 1.00 0.00 N ATOM 705 CA THR A 47 -9.729 -6.013 5.666 1.00 0.00 C ATOM 706 C THR A 47 -8.672 -4.935 5.808 1.00 0.00 C ATOM 707 O THR A 47 -7.989 -4.847 6.830 1.00 0.00 O ATOM 708 CB THR A 47 -11.099 -5.321 5.539 1.00 0.00 C ATOM 709 OG1 THR A 47 -11.353 -4.524 6.702 1.00 0.00 O ATOM 710 CG2 THR A 47 -12.219 -6.331 5.364 1.00 0.00 C ATOM 0 H THR A 47 -9.572 -6.493 7.701 1.00 0.00 H new ATOM 0 HA THR A 47 -9.541 -6.611 4.774 1.00 0.00 H new ATOM 0 HB THR A 47 -11.070 -4.686 4.653 1.00 0.00 H new ATOM 0 HG1 THR A 47 -12.225 -4.085 6.614 1.00 0.00 H new ATOM 0 HG21 THR A 47 -13.171 -5.807 5.278 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.044 -6.916 4.461 1.00 0.00 H new ATOM 0 HG23 THR A 47 -12.248 -6.996 6.227 1.00 0.00 H new ATOM 718 N TYR A 48 -8.560 -4.099 4.784 1.00 0.00 N ATOM 719 CA TYR A 48 -7.684 -2.945 4.844 1.00 0.00 C ATOM 720 C TYR A 48 -8.325 -1.726 4.217 1.00 0.00 C ATOM 721 O TYR A 48 -9.358 -1.813 3.547 1.00 0.00 O ATOM 722 CB TYR A 48 -6.371 -3.233 4.131 1.00 0.00 C ATOM 723 CG TYR A 48 -5.435 -4.090 4.932 1.00 0.00 C ATOM 724 CD1 TYR A 48 -5.558 -5.472 4.935 1.00 0.00 C ATOM 725 CD2 TYR A 48 -4.426 -3.515 5.684 1.00 0.00 C ATOM 726 CE1 TYR A 48 -4.692 -6.255 5.669 1.00 0.00 C ATOM 727 CE2 TYR A 48 -3.558 -4.292 6.421 1.00 0.00 C ATOM 728 CZ TYR A 48 -3.695 -5.663 6.407 1.00 0.00 C ATOM 729 OH TYR A 48 -2.837 -6.444 7.135 1.00 0.00 O ATOM 0 H TYR A 48 -9.066 -4.202 3.904 1.00 0.00 H new ATOM 0 HA TYR A 48 -7.496 -2.740 5.898 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -6.582 -3.726 3.182 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -5.878 -2.289 3.897 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -6.341 -5.940 4.356 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -4.317 -2.441 5.694 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -4.797 -7.330 5.664 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -2.776 -3.829 7.005 1.00 0.00 H new ATOM 0 HH TYR A 48 -3.075 -7.388 7.018 1.00 0.00 H new ATOM 739 N THR A 49 -7.651 -0.601 4.375 1.00 0.00 N ATOM 740 CA THR A 49 -7.888 0.541 3.518 1.00 0.00 C ATOM 741 C THR A 49 -6.573 1.047 2.953 1.00 0.00 C ATOM 742 O THR A 49 -5.505 0.701 3.450 1.00 0.00 O ATOM 743 CB THR A 49 -8.586 1.690 4.259 1.00 0.00 C ATOM 744 OG1 THR A 49 -7.694 2.274 5.216 1.00 0.00 O ATOM 745 CG2 THR A 49 -9.837 1.198 4.963 1.00 0.00 C ATOM 0 H THR A 49 -6.937 -0.456 5.088 1.00 0.00 H new ATOM 0 HA THR A 49 -8.545 0.207 2.715 1.00 0.00 H new ATOM 0 HB THR A 49 -8.872 2.443 3.524 1.00 0.00 H new ATOM 0 HG1 THR A 49 -8.148 3.007 5.682 1.00 0.00 H new ATOM 0 HG21 THR A 49 -10.314 2.030 5.481 1.00 0.00 H new ATOM 0 HG22 THR A 49 -10.528 0.783 4.229 1.00 0.00 H new ATOM 0 HG23 THR A 49 -9.569 0.427 5.685 1.00 0.00 H new ATOM 753 N MET A 50 -6.658 1.823 1.886 1.00 0.00 N ATOM 754 CA MET A 50 -5.497 2.110 1.059 1.00 0.00 C ATOM 755 C MET A 50 -4.487 2.990 1.787 1.00 0.00 C ATOM 756 O MET A 50 -3.312 3.031 1.421 1.00 0.00 O ATOM 757 CB MET A 50 -5.947 2.767 -0.239 1.00 0.00 C ATOM 758 CG MET A 50 -6.551 1.779 -1.221 1.00 0.00 C ATOM 759 SD MET A 50 -5.352 0.565 -1.799 1.00 0.00 S ATOM 760 CE MET A 50 -4.090 1.634 -2.486 1.00 0.00 C ATOM 0 H MET A 50 -7.521 2.267 1.571 1.00 0.00 H new ATOM 0 HA MET A 50 -4.996 1.168 0.834 1.00 0.00 H new ATOM 0 HB2 MET A 50 -6.680 3.542 -0.013 1.00 0.00 H new ATOM 0 HB3 MET A 50 -5.094 3.261 -0.705 1.00 0.00 H new ATOM 0 HG2 MET A 50 -7.386 1.264 -0.746 1.00 0.00 H new ATOM 0 HG3 MET A 50 -6.956 2.321 -2.076 1.00 0.00 H new ATOM 0 HE1 MET A 50 -3.387 1.039 -3.069 1.00 0.00 H new ATOM 0 HE2 MET A 50 -4.556 2.380 -3.130 1.00 0.00 H new ATOM 0 HE3 MET A 50 -3.558 2.135 -1.677 1.00 0.00 H new ATOM 770 N LYS A 51 -4.938 3.667 2.839 1.00 0.00 N ATOM 771 CA LYS A 51 -4.029 4.397 3.718 1.00 0.00 C ATOM 772 C LYS A 51 -3.513 3.481 4.823 1.00 0.00 C ATOM 773 O LYS A 51 -2.358 3.580 5.242 1.00 0.00 O ATOM 774 CB LYS A 51 -4.732 5.610 4.330 1.00 0.00 C ATOM 775 CG LYS A 51 -5.964 5.255 5.150 1.00 0.00 C ATOM 776 CD LYS A 51 -6.547 6.478 5.844 1.00 0.00 C ATOM 777 CE LYS A 51 -7.055 7.505 4.844 1.00 0.00 C ATOM 778 NZ LYS A 51 -7.629 8.702 5.519 1.00 0.00 N ATOM 0 H LYS A 51 -5.922 3.726 3.103 1.00 0.00 H new ATOM 0 HA LYS A 51 -3.184 4.746 3.124 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.026 6.146 4.965 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -5.023 6.292 3.531 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.718 4.810 4.501 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.702 4.504 5.895 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.364 6.171 6.497 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.786 6.933 6.478 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.237 7.813 4.193 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.814 7.048 4.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -7.964 9.377 4.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -8.426 8.412 6.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.898 9.153 6.106 1.00 0.00 H new ATOM 792 N GLU A 52 -4.377 2.580 5.275 1.00 0.00 N ATOM 793 CA GLU A 52 -4.009 1.593 6.279 1.00 0.00 C ATOM 794 C GLU A 52 -2.913 0.673 5.751 1.00 0.00 C ATOM 795 O GLU A 52 -1.985 0.313 6.475 1.00 0.00 O ATOM 796 CB GLU A 52 -5.237 0.771 6.668 1.00 0.00 C ATOM 797 CG GLU A 52 -5.398 0.577 8.166 1.00 0.00 C ATOM 798 CD GLU A 52 -4.337 -0.328 8.757 1.00 0.00 C ATOM 799 OE1 GLU A 52 -4.563 -1.555 8.800 1.00 0.00 O ATOM 800 OE2 GLU A 52 -3.283 0.191 9.179 1.00 0.00 O ATOM 0 H GLU A 52 -5.344 2.514 4.958 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.629 2.114 7.158 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.129 1.261 6.277 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -5.174 -0.206 6.190 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.358 1.548 8.660 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -6.383 0.156 8.370 1.00 0.00 H new ATOM 807 N VAL A 53 -3.031 0.303 4.481 1.00 0.00 N ATOM 808 CA VAL A 53 -2.065 -0.578 3.842 1.00 0.00 C ATOM 809 C VAL A 53 -0.929 0.226 3.221 1.00 0.00 C ATOM 810 O VAL A 53 0.162 -0.295 2.991 1.00 0.00 O ATOM 811 CB VAL A 53 -2.731 -1.451 2.760 1.00 0.00 C ATOM 812 CG1 VAL A 53 -3.434 -0.587 1.727 1.00 0.00 C ATOM 813 CG2 VAL A 53 -1.708 -2.355 2.095 1.00 0.00 C ATOM 0 H VAL A 53 -3.792 0.603 3.871 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.661 -1.232 4.615 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.479 -2.079 3.244 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.897 -1.224 0.974 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -4.202 0.013 2.216 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.709 0.072 1.249 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -2.199 -2.963 1.335 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.933 -1.746 1.629 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.256 -3.006 2.844 1.00 0.00 H new ATOM 823 N LEU A 54 -1.179 1.511 2.990 1.00 0.00 N ATOM 824 CA LEU A 54 -0.112 2.441 2.641 1.00 0.00 C ATOM 825 C LEU A 54 1.034 2.325 3.642 1.00 0.00 C ATOM 826 O LEU A 54 2.149 1.938 3.284 1.00 0.00 O ATOM 827 CB LEU A 54 -0.649 3.877 2.613 1.00 0.00 C ATOM 828 CG LEU A 54 0.296 4.924 2.011 1.00 0.00 C ATOM 829 CD1 LEU A 54 -0.491 6.143 1.553 1.00 0.00 C ATOM 830 CD2 LEU A 54 1.364 5.330 3.015 1.00 0.00 C ATOM 0 H LEU A 54 -2.108 1.930 3.038 1.00 0.00 H new ATOM 0 HA LEU A 54 0.263 2.189 1.649 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.581 3.887 2.048 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.891 4.176 3.633 1.00 0.00 H new ATOM 0 HG LEU A 54 0.792 4.481 1.147 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.192 6.878 1.128 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.218 5.844 0.798 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.011 6.581 2.405 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.022 6.073 2.565 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.889 5.754 3.900 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.947 4.454 3.300 1.00 0.00 H new ATOM 842 N PHE A 55 0.751 2.664 4.895 1.00 0.00 N ATOM 843 CA PHE A 55 1.771 2.652 5.934 1.00 0.00 C ATOM 844 C PHE A 55 2.161 1.221 6.300 1.00 0.00 C ATOM 845 O PHE A 55 3.322 0.946 6.599 1.00 0.00 O ATOM 846 CB PHE A 55 1.279 3.420 7.170 1.00 0.00 C ATOM 847 CG PHE A 55 1.042 2.565 8.386 1.00 0.00 C ATOM 848 CD1 PHE A 55 -0.175 1.930 8.577 1.00 0.00 C ATOM 849 CD2 PHE A 55 2.034 2.402 9.338 1.00 0.00 C ATOM 850 CE1 PHE A 55 -0.396 1.147 9.694 1.00 0.00 C ATOM 851 CE2 PHE A 55 1.820 1.620 10.457 1.00 0.00 C ATOM 852 CZ PHE A 55 0.603 0.992 10.634 1.00 0.00 C ATOM 0 H PHE A 55 -0.175 2.950 5.214 1.00 0.00 H new ATOM 0 HA PHE A 55 2.661 3.150 5.550 1.00 0.00 H new ATOM 0 HB2 PHE A 55 2.011 4.188 7.419 1.00 0.00 H new ATOM 0 HB3 PHE A 55 0.352 3.934 6.917 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.960 2.048 7.844 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.987 2.892 9.204 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.349 0.657 9.831 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.603 1.500 11.191 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.433 0.380 11.507 1.00 0.00 H new ATOM 862 N TYR A 56 1.184 0.314 6.287 1.00 0.00 N ATOM 863 CA TYR A 56 1.420 -1.067 6.701 1.00 0.00 C ATOM 864 C TYR A 56 2.397 -1.765 5.768 1.00 0.00 C ATOM 865 O TYR A 56 3.377 -2.358 6.216 1.00 0.00 O ATOM 866 CB TYR A 56 0.110 -1.849 6.759 1.00 0.00 C ATOM 867 CG TYR A 56 -0.267 -2.287 8.157 1.00 0.00 C ATOM 868 CD1 TYR A 56 0.703 -2.712 9.062 1.00 0.00 C ATOM 869 CD2 TYR A 56 -1.590 -2.276 8.572 1.00 0.00 C ATOM 870 CE1 TYR A 56 0.360 -3.110 10.338 1.00 0.00 C ATOM 871 CE2 TYR A 56 -1.941 -2.673 9.847 1.00 0.00 C ATOM 872 CZ TYR A 56 -0.964 -3.091 10.727 1.00 0.00 C ATOM 873 OH TYR A 56 -1.311 -3.486 11.998 1.00 0.00 O ATOM 0 H TYR A 56 0.226 0.510 5.996 1.00 0.00 H new ATOM 0 HA TYR A 56 1.858 -1.037 7.699 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -0.691 -1.232 6.351 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.192 -2.729 6.120 1.00 0.00 H new ATOM 0 HD1 TYR A 56 1.740 -2.730 8.760 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -2.359 -1.951 7.886 1.00 0.00 H new ATOM 0 HE1 TYR A 56 1.124 -3.435 11.029 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -2.976 -2.656 10.154 1.00 0.00 H new ATOM 0 HH TYR A 56 -0.556 -3.953 12.413 1.00 0.00 H new ATOM 883 N LEU A 57 2.134 -1.690 4.470 1.00 0.00 N ATOM 884 CA LEU A 57 3.057 -2.231 3.485 1.00 0.00 C ATOM 885 C LEU A 57 4.436 -1.617 3.665 1.00 0.00 C ATOM 886 O LEU A 57 5.441 -2.325 3.662 1.00 0.00 O ATOM 887 CB LEU A 57 2.545 -1.982 2.063 1.00 0.00 C ATOM 888 CG LEU A 57 3.487 -2.430 0.941 1.00 0.00 C ATOM 889 CD1 LEU A 57 3.879 -3.889 1.118 1.00 0.00 C ATOM 890 CD2 LEU A 57 2.838 -2.220 -0.417 1.00 0.00 C ATOM 0 H LEU A 57 1.295 -1.263 4.078 1.00 0.00 H new ATOM 0 HA LEU A 57 3.128 -3.308 3.637 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.592 -2.497 1.942 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.349 -0.916 1.946 1.00 0.00 H new ATOM 0 HG LEU A 57 4.390 -1.821 0.993 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.548 -4.187 0.311 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.386 -4.016 2.075 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.984 -4.511 1.096 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.522 -2.544 -1.201 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.918 -2.802 -0.475 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.607 -1.163 -0.551 1.00 0.00 H new ATOM 902 N GLY A 58 4.471 -0.304 3.872 1.00 0.00 N ATOM 903 CA GLY A 58 5.705 0.347 4.267 1.00 0.00 C ATOM 904 C GLY A 58 6.384 -0.363 5.424 1.00 0.00 C ATOM 905 O GLY A 58 7.599 -0.568 5.409 1.00 0.00 O ATOM 0 H GLY A 58 3.669 0.318 3.773 1.00 0.00 H new ATOM 0 HA2 GLY A 58 6.384 0.381 3.415 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.495 1.379 4.549 1.00 0.00 H new ATOM 909 N GLN A 59 5.594 -0.749 6.424 1.00 0.00 N ATOM 910 CA GLN A 59 6.126 -1.449 7.588 1.00 0.00 C ATOM 911 C GLN A 59 6.850 -2.724 7.170 1.00 0.00 C ATOM 912 O GLN A 59 7.990 -2.957 7.568 1.00 0.00 O ATOM 913 CB GLN A 59 5.008 -1.793 8.576 1.00 0.00 C ATOM 914 CG GLN A 59 4.176 -0.600 9.014 1.00 0.00 C ATOM 915 CD GLN A 59 5.025 0.571 9.473 1.00 0.00 C ATOM 916 OE1 GLN A 59 5.358 0.685 10.653 1.00 0.00 O ATOM 917 NE2 GLN A 59 5.379 1.449 8.542 1.00 0.00 N ATOM 0 H GLN A 59 4.587 -0.589 6.451 1.00 0.00 H new ATOM 0 HA GLN A 59 6.837 -0.783 8.077 1.00 0.00 H new ATOM 0 HB2 GLN A 59 4.350 -2.533 8.120 1.00 0.00 H new ATOM 0 HB3 GLN A 59 5.448 -2.258 9.458 1.00 0.00 H new ATOM 0 HG2 GLN A 59 3.542 -0.281 8.187 1.00 0.00 H new ATOM 0 HG3 GLN A 59 3.513 -0.903 9.825 1.00 0.00 H new ATOM 0 HE21 GLN A 59 5.081 1.316 7.576 1.00 0.00 H new ATOM 0 HE22 GLN A 59 5.949 2.257 8.793 1.00 0.00 H new ATOM 926 N TYR A 60 6.177 -3.556 6.378 1.00 0.00 N ATOM 927 CA TYR A 60 6.738 -4.843 5.982 1.00 0.00 C ATOM 928 C TYR A 60 8.038 -4.670 5.193 1.00 0.00 C ATOM 929 O TYR A 60 8.997 -5.413 5.403 1.00 0.00 O ATOM 930 CB TYR A 60 5.727 -5.641 5.160 1.00 0.00 C ATOM 931 CG TYR A 60 6.234 -7.004 4.756 1.00 0.00 C ATOM 932 CD1 TYR A 60 6.180 -8.073 5.637 1.00 0.00 C ATOM 933 CD2 TYR A 60 6.776 -7.215 3.498 1.00 0.00 C ATOM 934 CE1 TYR A 60 6.652 -9.319 5.276 1.00 0.00 C ATOM 935 CE2 TYR A 60 7.253 -8.457 3.129 1.00 0.00 C ATOM 936 CZ TYR A 60 7.188 -9.506 4.021 1.00 0.00 C ATOM 937 OH TYR A 60 7.665 -10.744 3.658 1.00 0.00 O ATOM 0 H TYR A 60 5.249 -3.363 6.001 1.00 0.00 H new ATOM 0 HA TYR A 60 6.968 -5.394 6.894 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.810 -5.758 5.738 1.00 0.00 H new ATOM 0 HB3 TYR A 60 5.470 -5.076 4.264 1.00 0.00 H new ATOM 0 HD1 TYR A 60 5.762 -7.929 6.622 1.00 0.00 H new ATOM 0 HD2 TYR A 60 6.826 -6.396 2.796 1.00 0.00 H new ATOM 0 HE1 TYR A 60 6.601 -10.142 5.973 1.00 0.00 H new ATOM 0 HE2 TYR A 60 7.675 -8.606 2.146 1.00 0.00 H new ATOM 0 HH TYR A 60 8.325 -10.643 2.940 1.00 0.00 H new ATOM 947 N ILE A 61 8.075 -3.688 4.292 1.00 0.00 N ATOM 948 CA ILE A 61 9.299 -3.390 3.545 1.00 0.00 C ATOM 949 C ILE A 61 10.436 -3.112 4.510 1.00 0.00 C ATOM 950 O ILE A 61 11.602 -3.389 4.225 1.00 0.00 O ATOM 951 CB ILE A 61 9.130 -2.168 2.609 1.00 0.00 C ATOM 952 CG1 ILE A 61 7.745 -2.165 1.966 1.00 0.00 C ATOM 953 CG2 ILE A 61 10.205 -2.168 1.532 1.00 0.00 C ATOM 954 CD1 ILE A 61 7.294 -3.532 1.507 1.00 0.00 C ATOM 0 H ILE A 61 7.281 -3.090 4.063 1.00 0.00 H new ATOM 0 HA ILE A 61 9.521 -4.262 2.930 1.00 0.00 H new ATOM 0 HB ILE A 61 9.235 -1.265 3.211 1.00 0.00 H new ATOM 0 HG12 ILE A 61 7.022 -1.773 2.681 1.00 0.00 H new ATOM 0 HG13 ILE A 61 7.750 -1.487 1.113 1.00 0.00 H new ATOM 0 HG21 ILE A 61 10.070 -1.302 0.884 1.00 0.00 H new ATOM 0 HG22 ILE A 61 11.189 -2.122 2.000 1.00 0.00 H new ATOM 0 HG23 ILE A 61 10.127 -3.080 0.940 1.00 0.00 H new ATOM 0 HD11 ILE A 61 6.303 -3.457 1.060 1.00 0.00 H new ATOM 0 HD12 ILE A 61 7.997 -3.918 0.769 1.00 0.00 H new ATOM 0 HD13 ILE A 61 7.257 -4.209 2.361 1.00 0.00 H new ATOM 966 N MET A 62 10.072 -2.575 5.664 1.00 0.00 N ATOM 967 CA MET A 62 11.035 -2.297 6.725 1.00 0.00 C ATOM 968 C MET A 62 11.405 -3.569 7.483 1.00 0.00 C ATOM 969 O MET A 62 12.567 -3.781 7.829 1.00 0.00 O ATOM 970 CB MET A 62 10.472 -1.263 7.701 1.00 0.00 C ATOM 971 CG MET A 62 10.105 0.058 7.045 1.00 0.00 C ATOM 972 SD MET A 62 9.451 1.261 8.218 1.00 0.00 S ATOM 973 CE MET A 62 9.141 2.654 7.136 1.00 0.00 C ATOM 0 H MET A 62 9.111 -2.321 5.893 1.00 0.00 H new ATOM 0 HA MET A 62 11.935 -1.898 6.257 1.00 0.00 H new ATOM 0 HB2 MET A 62 9.587 -1.677 8.185 1.00 0.00 H new ATOM 0 HB3 MET A 62 11.207 -1.078 8.485 1.00 0.00 H new ATOM 0 HG2 MET A 62 10.987 0.474 6.558 1.00 0.00 H new ATOM 0 HG3 MET A 62 9.365 -0.122 6.265 1.00 0.00 H new ATOM 0 HE1 MET A 62 8.456 3.348 7.623 1.00 0.00 H new ATOM 0 HE2 MET A 62 10.080 3.163 6.920 1.00 0.00 H new ATOM 0 HE3 MET A 62 8.698 2.300 6.205 1.00 0.00 H new ATOM 983 N THR A 63 10.404 -4.400 7.763 1.00 0.00 N ATOM 984 CA THR A 63 10.594 -5.565 8.623 1.00 0.00 C ATOM 985 C THR A 63 11.576 -6.558 8.010 1.00 0.00 C ATOM 986 O THR A 63 12.631 -6.832 8.580 1.00 0.00 O ATOM 987 CB THR A 63 9.260 -6.284 8.901 1.00 0.00 C ATOM 988 OG1 THR A 63 8.660 -6.705 7.673 1.00 0.00 O ATOM 989 CG2 THR A 63 8.302 -5.373 9.653 1.00 0.00 C ATOM 0 H THR A 63 9.454 -4.289 7.407 1.00 0.00 H new ATOM 0 HA THR A 63 11.002 -5.194 9.563 1.00 0.00 H new ATOM 0 HB THR A 63 9.468 -7.158 9.518 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.913 -6.086 6.956 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.367 -5.902 9.838 1.00 0.00 H new ATOM 0 HG22 THR A 63 8.748 -5.081 10.604 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.103 -4.482 9.057 1.00 0.00 H new ATOM 997 N LYS A 64 11.216 -7.104 6.854 1.00 0.00 N ATOM 998 CA LYS A 64 12.031 -8.126 6.208 1.00 0.00 C ATOM 999 C LYS A 64 13.147 -7.493 5.385 1.00 0.00 C ATOM 1000 O LYS A 64 13.797 -8.163 4.582 1.00 0.00 O ATOM 1001 CB LYS A 64 11.159 -9.015 5.321 1.00 0.00 C ATOM 1002 CG LYS A 64 10.040 -9.711 6.078 1.00 0.00 C ATOM 1003 CD LYS A 64 10.584 -10.752 7.045 1.00 0.00 C ATOM 1004 CE LYS A 64 9.466 -11.448 7.802 1.00 0.00 C ATOM 1005 NZ LYS A 64 9.988 -12.476 8.744 1.00 0.00 N ATOM 0 H LYS A 64 10.367 -6.857 6.346 1.00 0.00 H new ATOM 0 HA LYS A 64 12.487 -8.740 6.985 1.00 0.00 H new ATOM 0 HB2 LYS A 64 10.727 -8.409 4.525 1.00 0.00 H new ATOM 0 HB3 LYS A 64 11.787 -9.767 4.844 1.00 0.00 H new ATOM 0 HG2 LYS A 64 9.457 -8.972 6.628 1.00 0.00 H new ATOM 0 HG3 LYS A 64 9.363 -10.189 5.370 1.00 0.00 H new ATOM 0 HD2 LYS A 64 11.167 -11.491 6.495 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.261 -10.274 7.753 1.00 0.00 H new ATOM 0 HE2 LYS A 64 8.888 -10.708 8.356 1.00 0.00 H new ATOM 0 HE3 LYS A 64 8.785 -11.918 7.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 9.193 -12.927 9.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 10.518 -13.196 8.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 10.617 -12.024 9.437 1.00 0.00 H new ATOM 1019 N ARG A 65 13.381 -6.210 5.628 1.00 0.00 N ATOM 1020 CA ARG A 65 14.540 -5.511 5.079 1.00 0.00 C ATOM 1021 C ARG A 65 14.751 -5.843 3.604 1.00 0.00 C ATOM 1022 O ARG A 65 15.643 -6.618 3.254 1.00 0.00 O ATOM 1023 CB ARG A 65 15.797 -5.864 5.877 1.00 0.00 C ATOM 1024 CG ARG A 65 15.713 -5.473 7.345 1.00 0.00 C ATOM 1025 CD ARG A 65 16.987 -5.836 8.091 1.00 0.00 C ATOM 1026 NE ARG A 65 16.921 -5.458 9.501 1.00 0.00 N ATOM 1027 CZ ARG A 65 17.923 -5.630 10.357 1.00 0.00 C ATOM 1028 NH1 ARG A 65 19.064 -6.169 9.950 1.00 0.00 N ATOM 1029 NH2 ARG A 65 17.785 -5.258 11.624 1.00 0.00 N ATOM 0 H ARG A 65 12.778 -5.626 6.207 1.00 0.00 H new ATOM 0 HA ARG A 65 14.348 -4.441 5.158 1.00 0.00 H new ATOM 0 HB2 ARG A 65 15.975 -6.937 5.804 1.00 0.00 H new ATOM 0 HB3 ARG A 65 16.656 -5.368 5.425 1.00 0.00 H new ATOM 0 HG2 ARG A 65 15.534 -4.401 7.428 1.00 0.00 H new ATOM 0 HG3 ARG A 65 14.863 -5.974 7.808 1.00 0.00 H new ATOM 0 HD2 ARG A 65 17.161 -6.909 8.011 1.00 0.00 H new ATOM 0 HD3 ARG A 65 17.836 -5.339 7.622 1.00 0.00 H new ATOM 0 HE ARG A 65 16.058 -5.039 9.847 1.00 0.00 H new ATOM 0 HH11 ARG A 65 19.175 -6.453 8.977 1.00 0.00 H new ATOM 0 HH12 ARG A 65 19.831 -6.299 10.610 1.00 0.00 H new ATOM 0 HH21 ARG A 65 16.910 -4.840 11.940 1.00 0.00 H new ATOM 0 HH22 ARG A 65 18.554 -5.390 12.281 1.00 0.00 H new ATOM 1043 N LEU A 66 13.951 -5.224 2.742 1.00 0.00 N ATOM 1044 CA LEU A 66 14.193 -5.276 1.305 1.00 0.00 C ATOM 1045 C LEU A 66 14.739 -3.938 0.816 1.00 0.00 C ATOM 1046 O LEU A 66 15.949 -3.770 0.674 1.00 0.00 O ATOM 1047 CB LEU A 66 12.911 -5.639 0.551 1.00 0.00 C ATOM 1048 CG LEU A 66 12.431 -7.088 0.721 1.00 0.00 C ATOM 1049 CD1 LEU A 66 13.562 -8.066 0.434 1.00 0.00 C ATOM 1050 CD2 LEU A 66 11.870 -7.314 2.116 1.00 0.00 C ATOM 0 H LEU A 66 13.131 -4.681 3.013 1.00 0.00 H new ATOM 0 HA LEU A 66 14.933 -6.051 1.107 1.00 0.00 H new ATOM 0 HB2 LEU A 66 12.115 -4.970 0.880 1.00 0.00 H new ATOM 0 HB3 LEU A 66 13.069 -5.449 -0.511 1.00 0.00 H new ATOM 0 HG LEU A 66 11.632 -7.265 0.001 1.00 0.00 H new ATOM 0 HD11 LEU A 66 13.201 -9.087 0.560 1.00 0.00 H new ATOM 0 HD12 LEU A 66 13.911 -7.928 -0.589 1.00 0.00 H new ATOM 0 HD13 LEU A 66 14.385 -7.884 1.126 1.00 0.00 H new ATOM 0 HD21 LEU A 66 11.537 -8.347 2.211 1.00 0.00 H new ATOM 0 HD22 LEU A 66 12.644 -7.113 2.856 1.00 0.00 H new ATOM 0 HD23 LEU A 66 11.026 -6.644 2.282 1.00 0.00 H new ATOM 1062 N TYR A 67 13.846 -2.963 0.654 1.00 0.00 N ATOM 1063 CA TYR A 67 14.231 -1.556 0.720 1.00 0.00 C ATOM 1064 C TYR A 67 15.184 -1.166 -0.404 1.00 0.00 C ATOM 1065 O TYR A 67 15.672 -2.010 -1.155 1.00 0.00 O ATOM 1066 CB TYR A 67 14.899 -1.272 2.061 1.00 0.00 C ATOM 1067 CG TYR A 67 14.105 -0.363 2.967 1.00 0.00 C ATOM 1068 CD1 TYR A 67 12.872 -0.750 3.474 1.00 0.00 C ATOM 1069 CD2 TYR A 67 14.598 0.887 3.320 1.00 0.00 C ATOM 1070 CE1 TYR A 67 12.151 0.086 4.305 1.00 0.00 C ATOM 1071 CE2 TYR A 67 13.886 1.725 4.150 1.00 0.00 C ATOM 1072 CZ TYR A 67 12.662 1.323 4.640 1.00 0.00 C ATOM 1073 OH TYR A 67 11.950 2.159 5.469 1.00 0.00 O ATOM 0 H TYR A 67 12.854 -3.122 0.477 1.00 0.00 H new ATOM 0 HA TYR A 67 13.323 -0.964 0.610 1.00 0.00 H new ATOM 0 HB2 TYR A 67 15.073 -2.217 2.575 1.00 0.00 H new ATOM 0 HB3 TYR A 67 15.876 -0.823 1.880 1.00 0.00 H new ATOM 0 HD1 TYR A 67 12.470 -1.719 3.215 1.00 0.00 H new ATOM 0 HD2 TYR A 67 15.556 1.207 2.937 1.00 0.00 H new ATOM 0 HE1 TYR A 67 11.192 -0.227 4.690 1.00 0.00 H new ATOM 0 HE2 TYR A 67 14.285 2.693 4.416 1.00 0.00 H new ATOM 0 HH TYR A 67 12.532 2.479 6.190 1.00 0.00 H new ATOM 1083 N ASP A 68 15.464 0.130 -0.478 1.00 0.00 N ATOM 1084 CA ASP A 68 16.508 0.658 -1.343 1.00 0.00 C ATOM 1085 C ASP A 68 17.712 1.090 -0.518 1.00 0.00 C ATOM 1086 O ASP A 68 18.846 1.076 -0.999 1.00 0.00 O ATOM 1087 CB ASP A 68 15.963 1.848 -2.128 1.00 0.00 C ATOM 1088 CG ASP A 68 15.401 2.912 -1.217 1.00 0.00 C ATOM 1089 OD1 ASP A 68 14.414 2.622 -0.514 1.00 0.00 O ATOM 1090 OD2 ASP A 68 15.952 4.031 -1.202 1.00 0.00 O ATOM 0 H ASP A 68 14.973 0.843 0.061 1.00 0.00 H new ATOM 0 HA ASP A 68 16.824 -0.122 -2.036 1.00 0.00 H new ATOM 0 HB2 ASP A 68 16.758 2.276 -2.738 1.00 0.00 H new ATOM 0 HB3 ASP A 68 15.185 1.507 -2.811 1.00 0.00 H new ATOM 1095 N GLU A 69 17.445 1.476 0.727 1.00 0.00 N ATOM 1096 CA GLU A 69 18.486 1.880 1.667 1.00 0.00 C ATOM 1097 C GLU A 69 19.056 3.252 1.313 1.00 0.00 C ATOM 1098 O GLU A 69 19.597 3.947 2.173 1.00 0.00 O ATOM 1099 CB GLU A 69 19.609 0.841 1.711 1.00 0.00 C ATOM 1100 CG GLU A 69 19.117 -0.573 1.974 1.00 0.00 C ATOM 1101 CD GLU A 69 20.244 -1.585 2.011 1.00 0.00 C ATOM 1102 OE1 GLU A 69 20.800 -1.818 3.105 1.00 0.00 O ATOM 1103 OE2 GLU A 69 20.573 -2.148 0.944 1.00 0.00 O ATOM 0 H GLU A 69 16.501 1.517 1.112 1.00 0.00 H new ATOM 0 HA GLU A 69 18.027 1.947 2.654 1.00 0.00 H new ATOM 0 HB2 GLU A 69 20.148 0.859 0.764 1.00 0.00 H new ATOM 0 HB3 GLU A 69 20.321 1.120 2.488 1.00 0.00 H new ATOM 0 HG2 GLU A 69 18.581 -0.597 2.923 1.00 0.00 H new ATOM 0 HG3 GLU A 69 18.405 -0.856 1.199 1.00 0.00 H new ATOM 1110 N LYS A 70 18.930 3.637 0.047 1.00 0.00 N ATOM 1111 CA LYS A 70 19.418 4.933 -0.410 1.00 0.00 C ATOM 1112 C LYS A 70 18.628 6.068 0.232 1.00 0.00 C ATOM 1113 O LYS A 70 19.111 6.734 1.148 1.00 0.00 O ATOM 1114 CB LYS A 70 19.325 5.030 -1.936 1.00 0.00 C ATOM 1115 CG LYS A 70 20.115 3.955 -2.667 1.00 0.00 C ATOM 1116 CD LYS A 70 21.609 4.086 -2.409 1.00 0.00 C ATOM 1117 CE LYS A 70 22.396 3.015 -3.146 1.00 0.00 C ATOM 1118 NZ LYS A 70 23.860 3.136 -2.906 1.00 0.00 N ATOM 0 H LYS A 70 18.494 3.070 -0.680 1.00 0.00 H new ATOM 0 HA LYS A 70 20.462 5.026 -0.111 1.00 0.00 H new ATOM 0 HB2 LYS A 70 18.278 4.964 -2.232 1.00 0.00 H new ATOM 0 HB3 LYS A 70 19.684 6.010 -2.251 1.00 0.00 H new ATOM 0 HG2 LYS A 70 19.775 2.971 -2.346 1.00 0.00 H new ATOM 0 HG3 LYS A 70 19.922 4.025 -3.738 1.00 0.00 H new ATOM 0 HD2 LYS A 70 21.949 5.072 -2.726 1.00 0.00 H new ATOM 0 HD3 LYS A 70 21.803 4.010 -1.339 1.00 0.00 H new ATOM 0 HE2 LYS A 70 22.056 2.030 -2.826 1.00 0.00 H new ATOM 0 HE3 LYS A 70 22.196 3.089 -4.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 24.360 2.387 -3.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 24.190 4.066 -3.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 24.054 3.040 -1.889 1.00 0.00 H new ATOM 1132 N GLN A 71 17.403 6.272 -0.244 1.00 0.00 N ATOM 1133 CA GLN A 71 16.510 7.267 0.341 1.00 0.00 C ATOM 1134 C GLN A 71 15.229 6.611 0.842 1.00 0.00 C ATOM 1135 O GLN A 71 14.229 7.285 1.096 1.00 0.00 O ATOM 1136 CB GLN A 71 16.180 8.355 -0.682 1.00 0.00 C ATOM 1137 CG GLN A 71 17.400 9.114 -1.177 1.00 0.00 C ATOM 1138 CD GLN A 71 17.057 10.165 -2.216 1.00 0.00 C ATOM 1139 OE1 GLN A 71 17.719 11.197 -2.314 1.00 0.00 O ATOM 1140 NE2 GLN A 71 16.017 9.905 -3.003 1.00 0.00 N ATOM 0 H GLN A 71 17.006 5.762 -1.033 1.00 0.00 H new ATOM 0 HA GLN A 71 17.019 7.726 1.189 1.00 0.00 H new ATOM 0 HB2 GLN A 71 15.675 7.900 -1.534 1.00 0.00 H new ATOM 0 HB3 GLN A 71 15.479 9.061 -0.236 1.00 0.00 H new ATOM 0 HG2 GLN A 71 17.892 9.593 -0.331 1.00 0.00 H new ATOM 0 HG3 GLN A 71 18.113 8.408 -1.603 1.00 0.00 H new ATOM 0 HE21 GLN A 71 15.495 9.036 -2.888 1.00 0.00 H new ATOM 0 HE22 GLN A 71 15.741 10.574 -3.722 1.00 0.00 H new ATOM 1149 N GLN A 72 15.276 5.292 0.992 1.00 0.00 N ATOM 1150 CA GLN A 72 14.154 4.530 1.532 1.00 0.00 C ATOM 1151 C GLN A 72 12.879 4.775 0.724 1.00 0.00 C ATOM 1152 O GLN A 72 11.811 5.004 1.288 1.00 0.00 O ATOM 1153 CB GLN A 72 13.924 4.900 2.997 1.00 0.00 C ATOM 1154 CG GLN A 72 15.187 4.861 3.842 1.00 0.00 C ATOM 1155 CD GLN A 72 14.932 5.200 5.297 1.00 0.00 C ATOM 1156 OE1 GLN A 72 15.795 5.755 5.978 1.00 0.00 O ATOM 1157 NE2 GLN A 72 13.743 4.865 5.787 1.00 0.00 N ATOM 0 H GLN A 72 16.086 4.723 0.745 1.00 0.00 H new ATOM 0 HA GLN A 72 14.401 3.471 1.463 1.00 0.00 H new ATOM 0 HB2 GLN A 72 13.495 5.901 3.047 1.00 0.00 H new ATOM 0 HB3 GLN A 72 13.190 4.217 3.424 1.00 0.00 H new ATOM 0 HG2 GLN A 72 15.631 3.868 3.778 1.00 0.00 H new ATOM 0 HG3 GLN A 72 15.914 5.562 3.433 1.00 0.00 H new ATOM 0 HE21 GLN A 72 13.056 4.406 5.189 1.00 0.00 H new ATOM 0 HE22 GLN A 72 13.518 5.067 6.761 1.00 0.00 H new ATOM 1166 N HIS A 73 12.999 4.714 -0.600 1.00 0.00 N ATOM 1167 CA HIS A 73 11.847 4.876 -1.478 1.00 0.00 C ATOM 1168 C HIS A 73 11.723 3.707 -2.454 1.00 0.00 C ATOM 1169 O HIS A 73 10.616 3.336 -2.838 1.00 0.00 O ATOM 1170 CB HIS A 73 11.936 6.199 -2.245 1.00 0.00 C ATOM 1171 CG HIS A 73 13.150 6.325 -3.112 1.00 0.00 C ATOM 1172 ND1 HIS A 73 13.091 6.685 -4.442 1.00 0.00 N ATOM 1173 CD2 HIS A 73 14.464 6.153 -2.832 1.00 0.00 C ATOM 1174 CE1 HIS A 73 14.312 6.728 -4.942 1.00 0.00 C ATOM 1175 NE2 HIS A 73 15.164 6.410 -3.985 1.00 0.00 N ATOM 0 H HIS A 73 13.881 4.554 -1.086 1.00 0.00 H new ATOM 0 HA HIS A 73 10.954 4.891 -0.853 1.00 0.00 H new ATOM 0 HB2 HIS A 73 11.047 6.306 -2.866 1.00 0.00 H new ATOM 0 HB3 HIS A 73 11.927 7.022 -1.530 1.00 0.00 H new ATOM 0 HD2 HIS A 73 14.883 5.867 -1.879 1.00 0.00 H new ATOM 0 HE1 HIS A 73 14.570 6.980 -5.960 1.00 0.00 H new ATOM 0 HE2 HIS A 73 16.178 6.363 -4.086 1.00 0.00 H new ATOM 1184 N ILE A 74 12.853 3.112 -2.839 1.00 0.00 N ATOM 1185 CA ILE A 74 12.825 1.918 -3.679 1.00 0.00 C ATOM 1186 C ILE A 74 12.946 0.657 -2.822 1.00 0.00 C ATOM 1187 O ILE A 74 13.286 0.733 -1.643 1.00 0.00 O ATOM 1188 CB ILE A 74 13.953 1.937 -4.734 1.00 0.00 C ATOM 1189 CG1 ILE A 74 14.087 3.332 -5.352 1.00 0.00 C ATOM 1190 CG2 ILE A 74 13.688 0.900 -5.815 1.00 0.00 C ATOM 1191 CD1 ILE A 74 12.851 3.795 -6.093 1.00 0.00 C ATOM 0 H ILE A 74 13.787 3.434 -2.586 1.00 0.00 H new ATOM 0 HA ILE A 74 11.868 1.912 -4.202 1.00 0.00 H new ATOM 0 HB ILE A 74 14.892 1.688 -4.239 1.00 0.00 H new ATOM 0 HG12 ILE A 74 14.315 4.048 -4.563 1.00 0.00 H new ATOM 0 HG13 ILE A 74 14.933 3.335 -6.039 1.00 0.00 H new ATOM 0 HG21 ILE A 74 14.492 0.927 -6.550 1.00 0.00 H new ATOM 0 HG22 ILE A 74 13.641 -0.091 -5.364 1.00 0.00 H new ATOM 0 HG23 ILE A 74 12.740 1.120 -6.306 1.00 0.00 H new ATOM 0 HD11 ILE A 74 13.023 4.791 -6.502 1.00 0.00 H new ATOM 0 HD12 ILE A 74 12.633 3.102 -6.905 1.00 0.00 H new ATOM 0 HD13 ILE A 74 12.005 3.826 -5.406 1.00 0.00 H new ATOM 1203 N VAL A 75 12.635 -0.494 -3.406 1.00 0.00 N ATOM 1204 CA VAL A 75 12.597 -1.743 -2.651 1.00 0.00 C ATOM 1205 C VAL A 75 13.133 -2.909 -3.469 1.00 0.00 C ATOM 1206 O VAL A 75 12.361 -3.673 -4.047 1.00 0.00 O ATOM 1207 CB VAL A 75 11.166 -2.084 -2.211 1.00 0.00 C ATOM 1208 CG1 VAL A 75 11.163 -3.298 -1.295 1.00 0.00 C ATOM 1209 CG2 VAL A 75 10.515 -0.885 -1.546 1.00 0.00 C ATOM 0 H VAL A 75 12.406 -0.590 -4.395 1.00 0.00 H new ATOM 0 HA VAL A 75 13.228 -1.592 -1.775 1.00 0.00 H new ATOM 0 HB VAL A 75 10.579 -2.335 -3.094 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.140 -3.524 -0.994 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.583 -4.154 -1.824 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.764 -3.088 -0.410 1.00 0.00 H new ATOM 0 HG21 VAL A 75 9.501 -1.144 -1.240 1.00 0.00 H new ATOM 0 HG22 VAL A 75 11.095 -0.595 -0.670 1.00 0.00 H new ATOM 0 HG23 VAL A 75 10.480 -0.053 -2.249 1.00 0.00 H new ATOM 1219 N TYR A 76 14.451 -3.055 -3.488 1.00 0.00 N ATOM 1220 CA TYR A 76 15.084 -4.199 -4.131 1.00 0.00 C ATOM 1221 C TYR A 76 14.712 -5.497 -3.418 1.00 0.00 C ATOM 1222 O TYR A 76 15.023 -5.680 -2.241 1.00 0.00 O ATOM 1223 CB TYR A 76 16.602 -4.016 -4.136 1.00 0.00 C ATOM 1224 CG TYR A 76 17.028 -2.610 -4.495 1.00 0.00 C ATOM 1225 CD1 TYR A 76 16.402 -1.917 -5.522 1.00 0.00 C ATOM 1226 CD2 TYR A 76 18.055 -1.976 -3.807 1.00 0.00 C ATOM 1227 CE1 TYR A 76 16.786 -0.633 -5.855 1.00 0.00 C ATOM 1228 CE2 TYR A 76 18.444 -0.692 -4.133 1.00 0.00 C ATOM 1229 CZ TYR A 76 17.807 -0.025 -5.157 1.00 0.00 C ATOM 1230 OH TYR A 76 18.193 1.255 -5.485 1.00 0.00 O ATOM 0 H TYR A 76 15.103 -2.395 -3.065 1.00 0.00 H new ATOM 0 HA TYR A 76 14.727 -4.261 -5.159 1.00 0.00 H new ATOM 0 HB2 TYR A 76 16.996 -4.269 -3.151 1.00 0.00 H new ATOM 0 HB3 TYR A 76 17.044 -4.716 -4.845 1.00 0.00 H new ATOM 0 HD1 TYR A 76 15.601 -2.390 -6.070 1.00 0.00 H new ATOM 0 HD2 TYR A 76 18.557 -2.496 -3.004 1.00 0.00 H new ATOM 0 HE1 TYR A 76 16.289 -0.108 -6.658 1.00 0.00 H new ATOM 0 HE2 TYR A 76 19.244 -0.213 -3.588 1.00 0.00 H new ATOM 0 HH TYR A 76 18.924 1.537 -4.897 1.00 0.00 H new ATOM 1240 N CYS A 77 14.022 -6.384 -4.131 1.00 0.00 N ATOM 1241 CA CYS A 77 13.477 -7.592 -3.517 1.00 0.00 C ATOM 1242 C CYS A 77 13.061 -8.615 -4.571 1.00 0.00 C ATOM 1243 O CYS A 77 11.898 -8.673 -4.968 1.00 0.00 O ATOM 1244 CB CYS A 77 12.278 -7.239 -2.632 1.00 0.00 C ATOM 1245 SG CYS A 77 10.993 -6.286 -3.472 1.00 0.00 S ATOM 0 H CYS A 77 13.828 -6.290 -5.128 1.00 0.00 H new ATOM 0 HA CYS A 77 14.261 -8.037 -2.905 1.00 0.00 H new ATOM 0 HB2 CYS A 77 11.840 -8.160 -2.249 1.00 0.00 H new ATOM 0 HB3 CYS A 77 12.631 -6.672 -1.771 1.00 0.00 H new ATOM 0 HG CYS A 77 11.481 -5.144 -3.857 1.00 0.00 H new ATOM 1251 N SER A 78 14.015 -9.428 -5.009 1.00 0.00 N ATOM 1252 CA SER A 78 13.737 -10.472 -5.990 1.00 0.00 C ATOM 1253 C SER A 78 13.261 -11.753 -5.307 1.00 0.00 C ATOM 1254 O SER A 78 13.351 -12.840 -5.879 1.00 0.00 O ATOM 1255 CB SER A 78 14.988 -10.761 -6.823 1.00 0.00 C ATOM 1256 OG SER A 78 16.059 -11.194 -6.005 1.00 0.00 O ATOM 0 H SER A 78 14.987 -9.385 -4.701 1.00 0.00 H new ATOM 0 HA SER A 78 12.943 -10.116 -6.646 1.00 0.00 H new ATOM 0 HB2 SER A 78 14.764 -11.525 -7.568 1.00 0.00 H new ATOM 0 HB3 SER A 78 15.282 -9.863 -7.366 1.00 0.00 H new ATOM 0 HG SER A 78 16.845 -11.373 -6.563 1.00 0.00 H new ATOM 1262 N ASN A 79 12.755 -11.616 -4.085 1.00 0.00 N ATOM 1263 CA ASN A 79 12.280 -12.763 -3.316 1.00 0.00 C ATOM 1264 C ASN A 79 11.649 -12.309 -2.002 1.00 0.00 C ATOM 1265 O ASN A 79 12.272 -12.384 -0.943 1.00 0.00 O ATOM 1266 CB ASN A 79 13.432 -13.730 -3.036 1.00 0.00 C ATOM 1267 CG ASN A 79 12.979 -14.974 -2.295 1.00 0.00 C ATOM 1268 OD1 ASN A 79 12.975 -15.013 -1.065 1.00 0.00 O ATOM 1269 ND2 ASN A 79 12.593 -16.001 -3.045 1.00 0.00 N ATOM 0 H ASN A 79 12.663 -10.721 -3.605 1.00 0.00 H new ATOM 0 HA ASN A 79 11.521 -13.277 -3.906 1.00 0.00 H new ATOM 0 HB2 ASN A 79 13.895 -14.021 -3.979 1.00 0.00 H new ATOM 0 HB3 ASN A 79 14.196 -13.220 -2.450 1.00 0.00 H new ATOM 0 HD21 ASN A 79 12.277 -16.865 -2.604 1.00 0.00 H new ATOM 0 HD22 ASN A 79 12.612 -15.925 -4.062 1.00 0.00 H new ATOM 1276 N ASP A 80 10.411 -11.830 -2.082 1.00 0.00 N ATOM 1277 CA ASP A 80 9.717 -11.309 -0.909 1.00 0.00 C ATOM 1278 C ASP A 80 8.213 -11.559 -1.006 1.00 0.00 C ATOM 1279 O ASP A 80 7.692 -11.886 -2.074 1.00 0.00 O ATOM 1280 CB ASP A 80 9.990 -9.811 -0.759 1.00 0.00 C ATOM 1281 CG ASP A 80 9.456 -9.247 0.543 1.00 0.00 C ATOM 1282 OD1 ASP A 80 9.533 -9.954 1.570 1.00 0.00 O ATOM 1283 OD2 ASP A 80 8.964 -8.101 0.536 1.00 0.00 O ATOM 0 H ASP A 80 9.869 -11.792 -2.945 1.00 0.00 H new ATOM 0 HA ASP A 80 10.094 -11.832 -0.030 1.00 0.00 H new ATOM 0 HB2 ASP A 80 11.064 -9.634 -0.813 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.537 -9.278 -1.594 1.00 0.00 H new ATOM 1288 N LEU A 81 7.513 -11.372 0.109 1.00 0.00 N ATOM 1289 CA LEU A 81 6.056 -11.366 0.095 1.00 0.00 C ATOM 1290 C LEU A 81 5.539 -10.237 -0.790 1.00 0.00 C ATOM 1291 O LEU A 81 4.513 -10.378 -1.457 1.00 0.00 O ATOM 1292 CB LEU A 81 5.503 -11.224 1.515 1.00 0.00 C ATOM 1293 CG LEU A 81 5.378 -12.534 2.300 1.00 0.00 C ATOM 1294 CD1 LEU A 81 6.713 -13.265 2.353 1.00 0.00 C ATOM 1295 CD2 LEU A 81 4.862 -12.263 3.705 1.00 0.00 C ATOM 0 H LEU A 81 7.929 -11.223 1.028 1.00 0.00 H new ATOM 0 HA LEU A 81 5.713 -12.316 -0.314 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.148 -10.545 2.073 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.520 -10.757 1.460 1.00 0.00 H new ATOM 0 HG LEU A 81 4.662 -13.174 1.784 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.598 -14.192 2.915 1.00 0.00 H new ATOM 0 HD12 LEU A 81 7.043 -13.494 1.340 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.455 -12.633 2.842 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.779 -13.203 4.250 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.555 -11.602 4.226 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.882 -11.789 3.648 1.00 0.00 H new ATOM 1307 N LEU A 82 6.285 -9.136 -0.833 1.00 0.00 N ATOM 1308 CA LEU A 82 6.063 -8.117 -1.849 1.00 0.00 C ATOM 1309 C LEU A 82 6.093 -8.760 -3.231 1.00 0.00 C ATOM 1310 O LEU A 82 5.322 -8.394 -4.116 1.00 0.00 O ATOM 1311 CB LEU A 82 7.127 -7.012 -1.756 1.00 0.00 C ATOM 1312 CG LEU A 82 7.042 -5.911 -2.823 1.00 0.00 C ATOM 1313 CD1 LEU A 82 7.650 -6.377 -4.137 1.00 0.00 C ATOM 1314 CD2 LEU A 82 5.602 -5.463 -3.028 1.00 0.00 C ATOM 0 H LEU A 82 7.042 -8.930 -0.181 1.00 0.00 H new ATOM 0 HA LEU A 82 5.087 -7.662 -1.682 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.055 -6.546 -0.773 1.00 0.00 H new ATOM 0 HB3 LEU A 82 8.112 -7.476 -1.817 1.00 0.00 H new ATOM 0 HG LEU A 82 7.618 -5.057 -2.467 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.577 -5.578 -4.875 1.00 0.00 H new ATOM 0 HD12 LEU A 82 8.698 -6.633 -3.982 1.00 0.00 H new ATOM 0 HD13 LEU A 82 7.111 -7.254 -4.496 1.00 0.00 H new ATOM 0 HD21 LEU A 82 5.568 -4.683 -3.788 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.000 -6.312 -3.352 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.205 -5.073 -2.091 1.00 0.00 H new ATOM 1326 N GLY A 83 6.983 -9.731 -3.398 1.00 0.00 N ATOM 1327 CA GLY A 83 7.045 -10.484 -4.636 1.00 0.00 C ATOM 1328 C GLY A 83 5.733 -11.171 -4.958 1.00 0.00 C ATOM 1329 O GLY A 83 5.333 -11.239 -6.120 1.00 0.00 O ATOM 0 H GLY A 83 7.666 -10.011 -2.694 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.312 -9.814 -5.453 1.00 0.00 H new ATOM 0 HA3 GLY A 83 7.836 -11.231 -4.565 1.00 0.00 H new ATOM 1333 N ASP A 84 5.049 -11.661 -3.927 1.00 0.00 N ATOM 1334 CA ASP A 84 3.703 -12.200 -4.102 1.00 0.00 C ATOM 1335 C ASP A 84 2.797 -11.168 -4.766 1.00 0.00 C ATOM 1336 O ASP A 84 1.907 -11.515 -5.541 1.00 0.00 O ATOM 1337 CB ASP A 84 3.104 -12.637 -2.760 1.00 0.00 C ATOM 1338 CG ASP A 84 3.980 -13.636 -2.025 1.00 0.00 C ATOM 1339 OD1 ASP A 84 5.219 -13.497 -2.085 1.00 0.00 O ATOM 1340 OD2 ASP A 84 3.423 -14.556 -1.391 1.00 0.00 O ATOM 0 H ASP A 84 5.400 -11.696 -2.970 1.00 0.00 H new ATOM 0 HA ASP A 84 3.776 -13.076 -4.747 1.00 0.00 H new ATOM 0 HB2 ASP A 84 2.954 -11.760 -2.131 1.00 0.00 H new ATOM 0 HB3 ASP A 84 2.122 -13.078 -2.931 1.00 0.00 H new ATOM 1345 N LEU A 85 3.054 -9.894 -4.478 1.00 0.00 N ATOM 1346 CA LEU A 85 2.382 -8.800 -5.178 1.00 0.00 C ATOM 1347 C LEU A 85 2.952 -8.623 -6.582 1.00 0.00 C ATOM 1348 O LEU A 85 2.316 -8.984 -7.571 1.00 0.00 O ATOM 1349 CB LEU A 85 2.531 -7.492 -4.400 1.00 0.00 C ATOM 1350 CG LEU A 85 1.931 -7.503 -2.996 1.00 0.00 C ATOM 1351 CD1 LEU A 85 2.367 -6.271 -2.218 1.00 0.00 C ATOM 1352 CD2 LEU A 85 0.414 -7.583 -3.065 1.00 0.00 C ATOM 0 H LEU A 85 3.721 -9.594 -3.767 1.00 0.00 H new ATOM 0 HA LEU A 85 1.325 -9.054 -5.254 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.591 -7.251 -4.324 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.063 -6.691 -4.972 1.00 0.00 H new ATOM 0 HG LEU A 85 2.298 -8.386 -2.473 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.929 -6.297 -1.220 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.454 -6.258 -2.137 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.031 -5.374 -2.738 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.004 -7.590 -2.055 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.028 -6.720 -3.608 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.121 -8.497 -3.582 1.00 0.00 H new ATOM 1364 N PHE A 86 4.144 -8.041 -6.655 1.00 0.00 N ATOM 1365 CA PHE A 86 4.738 -7.668 -7.935 1.00 0.00 C ATOM 1366 C PHE A 86 5.643 -8.771 -8.470 1.00 0.00 C ATOM 1367 O PHE A 86 5.628 -9.075 -9.664 1.00 0.00 O ATOM 1368 CB PHE A 86 5.544 -6.371 -7.795 1.00 0.00 C ATOM 1369 CG PHE A 86 4.762 -5.213 -7.236 1.00 0.00 C ATOM 1370 CD1 PHE A 86 3.378 -5.184 -7.316 1.00 0.00 C ATOM 1371 CD2 PHE A 86 5.417 -4.148 -6.632 1.00 0.00 C ATOM 1372 CE1 PHE A 86 2.664 -4.123 -6.804 1.00 0.00 C ATOM 1373 CE2 PHE A 86 4.704 -3.081 -6.118 1.00 0.00 C ATOM 1374 CZ PHE A 86 3.325 -3.070 -6.205 1.00 0.00 C ATOM 0 H PHE A 86 4.719 -7.817 -5.843 1.00 0.00 H new ATOM 0 HA PHE A 86 3.922 -7.515 -8.642 1.00 0.00 H new ATOM 0 HB2 PHE A 86 6.403 -6.559 -7.151 1.00 0.00 H new ATOM 0 HB3 PHE A 86 5.934 -6.092 -8.774 1.00 0.00 H new ATOM 0 HD1 PHE A 86 2.853 -6.003 -7.785 1.00 0.00 H new ATOM 0 HD2 PHE A 86 6.495 -4.153 -6.563 1.00 0.00 H new ATOM 0 HE1 PHE A 86 1.586 -4.115 -6.871 1.00 0.00 H new ATOM 0 HE2 PHE A 86 5.223 -2.258 -5.650 1.00 0.00 H new ATOM 0 HZ PHE A 86 2.765 -2.238 -5.805 1.00 0.00 H new ATOM 1384 N GLY A 87 6.481 -9.316 -7.595 1.00 0.00 N ATOM 1385 CA GLY A 87 7.657 -10.034 -8.052 1.00 0.00 C ATOM 1386 C GLY A 87 8.737 -9.080 -8.514 1.00 0.00 C ATOM 1387 O GLY A 87 9.626 -9.453 -9.280 1.00 0.00 O ATOM 0 H GLY A 87 6.368 -9.274 -6.582 1.00 0.00 H new ATOM 0 HA2 GLY A 87 8.041 -10.659 -7.245 1.00 0.00 H new ATOM 0 HA3 GLY A 87 7.384 -10.701 -8.869 1.00 0.00 H new ATOM 1391 N VAL A 88 8.632 -7.834 -8.063 1.00 0.00 N ATOM 1392 CA VAL A 88 9.483 -6.757 -8.548 1.00 0.00 C ATOM 1393 C VAL A 88 10.947 -7.015 -8.209 1.00 0.00 C ATOM 1394 O VAL A 88 11.256 -7.596 -7.169 1.00 0.00 O ATOM 1395 CB VAL A 88 9.057 -5.404 -7.938 1.00 0.00 C ATOM 1396 CG1 VAL A 88 9.667 -5.204 -6.558 1.00 0.00 C ATOM 1397 CG2 VAL A 88 9.403 -4.255 -8.861 1.00 0.00 C ATOM 0 H VAL A 88 7.958 -7.545 -7.354 1.00 0.00 H new ATOM 0 HA VAL A 88 9.369 -6.720 -9.631 1.00 0.00 H new ATOM 0 HB VAL A 88 7.973 -5.421 -7.821 1.00 0.00 H new ATOM 0 HG11 VAL A 88 9.348 -4.243 -6.155 1.00 0.00 H new ATOM 0 HG12 VAL A 88 9.336 -6.003 -5.895 1.00 0.00 H new ATOM 0 HG13 VAL A 88 10.754 -5.223 -6.635 1.00 0.00 H new ATOM 0 HG21 VAL A 88 9.091 -3.315 -8.405 1.00 0.00 H new ATOM 0 HG22 VAL A 88 10.480 -4.236 -9.031 1.00 0.00 H new ATOM 0 HG23 VAL A 88 8.888 -4.385 -9.813 1.00 0.00 H new ATOM 1407 N PRO A 89 11.869 -6.523 -9.048 1.00 0.00 N ATOM 1408 CA PRO A 89 13.254 -6.306 -8.639 1.00 0.00 C ATOM 1409 C PRO A 89 13.383 -5.143 -7.660 1.00 0.00 C ATOM 1410 O PRO A 89 14.421 -4.980 -7.016 1.00 0.00 O ATOM 1411 CB PRO A 89 13.965 -5.983 -9.954 1.00 0.00 C ATOM 1412 CG PRO A 89 12.906 -5.395 -10.818 1.00 0.00 C ATOM 1413 CD PRO A 89 11.626 -6.089 -10.438 1.00 0.00 C ATOM 0 HA PRO A 89 13.671 -7.168 -8.118 1.00 0.00 H new ATOM 0 HB2 PRO A 89 14.785 -5.282 -9.799 1.00 0.00 H new ATOM 0 HB3 PRO A 89 14.392 -6.879 -10.404 1.00 0.00 H new ATOM 0 HG2 PRO A 89 12.828 -4.319 -10.661 1.00 0.00 H new ATOM 0 HG3 PRO A 89 13.134 -5.548 -11.873 1.00 0.00 H new ATOM 0 HD2 PRO A 89 10.770 -5.417 -10.505 1.00 0.00 H new ATOM 0 HD3 PRO A 89 11.419 -6.936 -11.092 1.00 0.00 H new ATOM 1421 N SER A 90 12.333 -4.320 -7.571 1.00 0.00 N ATOM 1422 CA SER A 90 12.413 -3.049 -6.849 1.00 0.00 C ATOM 1423 C SER A 90 11.158 -2.213 -7.048 1.00 0.00 C ATOM 1424 O SER A 90 10.753 -1.953 -8.181 1.00 0.00 O ATOM 1425 CB SER A 90 13.616 -2.235 -7.302 1.00 0.00 C ATOM 1426 OG SER A 90 13.636 -2.088 -8.711 1.00 0.00 O ATOM 0 H SER A 90 11.422 -4.511 -7.988 1.00 0.00 H new ATOM 0 HA SER A 90 12.515 -3.297 -5.793 1.00 0.00 H new ATOM 0 HB2 SER A 90 13.591 -1.252 -6.832 1.00 0.00 H new ATOM 0 HB3 SER A 90 14.533 -2.723 -6.972 1.00 0.00 H new ATOM 0 HG SER A 90 12.721 -1.962 -9.040 1.00 0.00 H new ATOM 1432 N PHE A 91 10.559 -1.764 -5.952 1.00 0.00 N ATOM 1433 CA PHE A 91 9.358 -0.939 -6.049 1.00 0.00 C ATOM 1434 C PHE A 91 9.505 0.350 -5.252 1.00 0.00 C ATOM 1435 O PHE A 91 10.234 0.404 -4.263 1.00 0.00 O ATOM 1436 CB PHE A 91 8.105 -1.722 -5.615 1.00 0.00 C ATOM 1437 CG PHE A 91 7.797 -1.708 -4.138 1.00 0.00 C ATOM 1438 CD1 PHE A 91 7.116 -0.641 -3.571 1.00 0.00 C ATOM 1439 CD2 PHE A 91 8.152 -2.775 -3.323 1.00 0.00 C ATOM 1440 CE1 PHE A 91 6.797 -0.637 -2.226 1.00 0.00 C ATOM 1441 CE2 PHE A 91 7.838 -2.773 -1.975 1.00 0.00 C ATOM 1442 CZ PHE A 91 7.159 -1.704 -1.428 1.00 0.00 C ATOM 0 H PHE A 91 10.877 -1.952 -5.001 1.00 0.00 H new ATOM 0 HA PHE A 91 9.231 -0.666 -7.097 1.00 0.00 H new ATOM 0 HB2 PHE A 91 7.245 -1.318 -6.149 1.00 0.00 H new ATOM 0 HB3 PHE A 91 8.220 -2.758 -5.933 1.00 0.00 H new ATOM 0 HD1 PHE A 91 6.831 0.198 -4.189 1.00 0.00 H new ATOM 0 HD2 PHE A 91 8.680 -3.617 -3.746 1.00 0.00 H new ATOM 0 HE1 PHE A 91 6.265 0.200 -1.800 1.00 0.00 H new ATOM 0 HE2 PHE A 91 8.124 -3.607 -1.352 1.00 0.00 H new ATOM 0 HZ PHE A 91 6.911 -1.702 -0.377 1.00 0.00 H new ATOM 1452 N SER A 92 8.845 1.402 -5.729 1.00 0.00 N ATOM 1453 CA SER A 92 9.097 2.751 -5.240 1.00 0.00 C ATOM 1454 C SER A 92 7.896 3.299 -4.477 1.00 0.00 C ATOM 1455 O SER A 92 7.044 3.977 -5.049 1.00 0.00 O ATOM 1456 CB SER A 92 9.440 3.678 -6.407 1.00 0.00 C ATOM 1457 OG SER A 92 8.405 3.684 -7.374 1.00 0.00 O ATOM 0 H SER A 92 8.131 1.344 -6.455 1.00 0.00 H new ATOM 0 HA SER A 92 9.942 2.706 -4.553 1.00 0.00 H new ATOM 0 HB2 SER A 92 9.602 4.690 -6.036 1.00 0.00 H new ATOM 0 HB3 SER A 92 10.373 3.355 -6.870 1.00 0.00 H new ATOM 0 HG SER A 92 7.535 3.690 -6.922 1.00 0.00 H new ATOM 1463 N VAL A 93 7.857 3.024 -3.176 1.00 0.00 N ATOM 1464 CA VAL A 93 6.842 3.599 -2.290 1.00 0.00 C ATOM 1465 C VAL A 93 6.709 5.104 -2.489 1.00 0.00 C ATOM 1466 O VAL A 93 5.687 5.696 -2.138 1.00 0.00 O ATOM 1467 CB VAL A 93 7.167 3.327 -0.807 1.00 0.00 C ATOM 1468 CG1 VAL A 93 6.292 2.209 -0.261 1.00 0.00 C ATOM 1469 CG2 VAL A 93 8.640 3.000 -0.628 1.00 0.00 C ATOM 0 H VAL A 93 8.518 2.404 -2.708 1.00 0.00 H new ATOM 0 HA VAL A 93 5.900 3.116 -2.551 1.00 0.00 H new ATOM 0 HB VAL A 93 6.952 4.233 -0.240 1.00 0.00 H new ATOM 0 HG11 VAL A 93 6.538 2.033 0.786 1.00 0.00 H new ATOM 0 HG12 VAL A 93 5.243 2.494 -0.345 1.00 0.00 H new ATOM 0 HG13 VAL A 93 6.467 1.298 -0.833 1.00 0.00 H new ATOM 0 HG21 VAL A 93 8.846 2.812 0.426 1.00 0.00 H new ATOM 0 HG22 VAL A 93 8.889 2.113 -1.210 1.00 0.00 H new ATOM 0 HG23 VAL A 93 9.244 3.840 -0.971 1.00 0.00 H new ATOM 1479 N LYS A 94 7.746 5.719 -3.043 1.00 0.00 N ATOM 1480 CA LYS A 94 7.765 7.164 -3.235 1.00 0.00 C ATOM 1481 C LYS A 94 6.605 7.616 -4.121 1.00 0.00 C ATOM 1482 O LYS A 94 6.298 8.806 -4.198 1.00 0.00 O ATOM 1483 CB LYS A 94 9.098 7.597 -3.853 1.00 0.00 C ATOM 1484 CG LYS A 94 9.258 9.104 -3.977 1.00 0.00 C ATOM 1485 CD LYS A 94 9.293 9.778 -2.614 1.00 0.00 C ATOM 1486 CE LYS A 94 9.442 11.286 -2.742 1.00 0.00 C ATOM 1487 NZ LYS A 94 8.312 11.894 -3.497 1.00 0.00 N ATOM 0 H LYS A 94 8.586 5.240 -3.368 1.00 0.00 H new ATOM 0 HA LYS A 94 7.653 7.637 -2.259 1.00 0.00 H new ATOM 0 HB2 LYS A 94 9.914 7.203 -3.246 1.00 0.00 H new ATOM 0 HB3 LYS A 94 9.191 7.149 -4.842 1.00 0.00 H new ATOM 0 HG2 LYS A 94 10.177 9.329 -4.519 1.00 0.00 H new ATOM 0 HG3 LYS A 94 8.434 9.511 -4.564 1.00 0.00 H new ATOM 0 HD2 LYS A 94 8.378 9.547 -2.069 1.00 0.00 H new ATOM 0 HD3 LYS A 94 10.122 9.378 -2.030 1.00 0.00 H new ATOM 0 HE2 LYS A 94 9.496 11.731 -1.748 1.00 0.00 H new ATOM 0 HE3 LYS A 94 10.381 11.516 -3.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 8.310 12.923 -3.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 8.422 11.690 -4.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 7.414 11.494 -3.159 1.00 0.00 H new ATOM 1501 N GLU A 95 5.977 6.661 -4.803 1.00 0.00 N ATOM 1502 CA GLU A 95 4.934 6.976 -5.774 1.00 0.00 C ATOM 1503 C GLU A 95 3.542 6.757 -5.187 1.00 0.00 C ATOM 1504 O GLU A 95 2.618 7.519 -5.465 1.00 0.00 O ATOM 1505 CB GLU A 95 5.101 6.122 -7.034 1.00 0.00 C ATOM 1506 CG GLU A 95 6.504 6.160 -7.617 1.00 0.00 C ATOM 1507 CD GLU A 95 6.554 5.645 -9.043 1.00 0.00 C ATOM 1508 OE1 GLU A 95 6.720 4.421 -9.229 1.00 0.00 O ATOM 1509 OE2 GLU A 95 6.425 6.467 -9.975 1.00 0.00 O ATOM 0 H GLU A 95 6.172 5.665 -4.701 1.00 0.00 H new ATOM 0 HA GLU A 95 5.035 8.029 -6.035 1.00 0.00 H new ATOM 0 HB2 GLU A 95 4.843 5.089 -6.799 1.00 0.00 H new ATOM 0 HB3 GLU A 95 4.394 6.463 -7.790 1.00 0.00 H new ATOM 0 HG2 GLU A 95 6.878 7.184 -7.590 1.00 0.00 H new ATOM 0 HG3 GLU A 95 7.169 5.562 -6.994 1.00 0.00 H new ATOM 1516 N HIS A 96 3.400 5.692 -4.398 1.00 0.00 N ATOM 1517 CA HIS A 96 2.091 5.241 -3.921 1.00 0.00 C ATOM 1518 C HIS A 96 1.210 4.788 -5.081 1.00 0.00 C ATOM 1519 O HIS A 96 0.999 3.592 -5.270 1.00 0.00 O ATOM 1520 CB HIS A 96 1.393 6.349 -3.129 1.00 0.00 C ATOM 1521 CG HIS A 96 2.172 6.817 -1.938 1.00 0.00 C ATOM 1522 ND1 HIS A 96 1.838 6.487 -0.643 1.00 0.00 N ATOM 1523 CD2 HIS A 96 3.275 7.597 -1.854 1.00 0.00 C ATOM 1524 CE1 HIS A 96 2.700 7.046 0.187 1.00 0.00 C ATOM 1525 NE2 HIS A 96 3.582 7.725 -0.522 1.00 0.00 N ATOM 0 H HIS A 96 4.181 5.122 -4.073 1.00 0.00 H new ATOM 0 HA HIS A 96 2.253 4.388 -3.261 1.00 0.00 H new ATOM 0 HB2 HIS A 96 1.211 7.197 -3.790 1.00 0.00 H new ATOM 0 HB3 HIS A 96 0.419 5.989 -2.797 1.00 0.00 H new ATOM 0 HD2 HIS A 96 3.813 8.037 -2.681 1.00 0.00 H new ATOM 0 HE1 HIS A 96 2.686 6.962 1.264 1.00 0.00 H new ATOM 0 HE2 HIS A 96 4.364 8.258 -0.142 1.00 0.00 H new ATOM 1534 N ARG A 97 0.690 5.747 -5.842 1.00 0.00 N ATOM 1535 CA ARG A 97 -0.248 5.451 -6.922 1.00 0.00 C ATOM 1536 C ARG A 97 0.213 4.246 -7.743 1.00 0.00 C ATOM 1537 O ARG A 97 -0.603 3.438 -8.186 1.00 0.00 O ATOM 1538 CB ARG A 97 -0.408 6.677 -7.826 1.00 0.00 C ATOM 1539 CG ARG A 97 -1.619 6.617 -8.747 1.00 0.00 C ATOM 1540 CD ARG A 97 -1.349 5.777 -9.985 1.00 0.00 C ATOM 1541 NE ARG A 97 -0.229 6.296 -10.766 1.00 0.00 N ATOM 1542 CZ ARG A 97 0.219 5.727 -11.881 1.00 0.00 C ATOM 1543 NH1 ARG A 97 -0.353 4.625 -12.344 1.00 0.00 N ATOM 1544 NH2 ARG A 97 1.242 6.262 -12.534 1.00 0.00 N ATOM 0 H ARG A 97 0.903 6.738 -5.731 1.00 0.00 H new ATOM 0 HA ARG A 97 -1.212 5.204 -6.477 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -0.483 7.568 -7.202 1.00 0.00 H new ATOM 0 HB3 ARG A 97 0.491 6.788 -8.432 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -2.468 6.201 -8.204 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -1.897 7.627 -9.047 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -1.138 4.750 -9.687 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -2.243 5.751 -10.607 1.00 0.00 H new ATOM 0 HE ARG A 97 0.236 7.143 -10.437 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -1.140 4.210 -11.845 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -0.006 4.191 -13.200 1.00 0.00 H new ATOM 0 HH21 ARG A 97 1.685 7.110 -12.181 1.00 0.00 H new ATOM 0 HH22 ARG A 97 1.586 5.825 -13.389 1.00 0.00 H new ATOM 1558 N LYS A 98 1.524 4.132 -7.944 1.00 0.00 N ATOM 1559 CA LYS A 98 2.083 3.056 -8.761 1.00 0.00 C ATOM 1560 C LYS A 98 2.010 1.717 -8.034 1.00 0.00 C ATOM 1561 O LYS A 98 1.230 0.842 -8.410 1.00 0.00 O ATOM 1562 CB LYS A 98 3.533 3.371 -9.134 1.00 0.00 C ATOM 1563 CG LYS A 98 4.177 2.325 -10.032 1.00 0.00 C ATOM 1564 CD LYS A 98 3.488 2.245 -11.387 1.00 0.00 C ATOM 1565 CE LYS A 98 3.662 3.530 -12.182 1.00 0.00 C ATOM 1566 NZ LYS A 98 5.096 3.834 -12.441 1.00 0.00 N ATOM 0 H LYS A 98 2.218 4.769 -7.554 1.00 0.00 H new ATOM 0 HA LYS A 98 1.488 2.982 -9.671 1.00 0.00 H new ATOM 0 HB2 LYS A 98 3.567 4.338 -9.636 1.00 0.00 H new ATOM 0 HB3 LYS A 98 4.121 3.464 -8.221 1.00 0.00 H new ATOM 0 HG2 LYS A 98 5.231 2.566 -10.173 1.00 0.00 H new ATOM 0 HG3 LYS A 98 4.135 1.351 -9.544 1.00 0.00 H new ATOM 0 HD2 LYS A 98 3.896 1.408 -11.954 1.00 0.00 H new ATOM 0 HD3 LYS A 98 2.426 2.046 -11.244 1.00 0.00 H new ATOM 0 HE2 LYS A 98 3.132 3.444 -13.131 1.00 0.00 H new ATOM 0 HE3 LYS A 98 3.208 4.358 -11.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 5.169 4.545 -13.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 5.535 4.204 -11.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 5.588 2.966 -12.734 1.00 0.00 H new ATOM 1580 N ILE A 99 2.815 1.574 -6.986 1.00 0.00 N ATOM 1581 CA ILE A 99 2.757 0.399 -6.112 1.00 0.00 C ATOM 1582 C ILE A 99 1.322 -0.033 -5.894 1.00 0.00 C ATOM 1583 O ILE A 99 1.024 -1.220 -5.778 1.00 0.00 O ATOM 1584 CB ILE A 99 3.387 0.676 -4.729 1.00 0.00 C ATOM 1585 CG1 ILE A 99 4.652 1.499 -4.876 1.00 0.00 C ATOM 1586 CG2 ILE A 99 3.682 -0.619 -3.986 1.00 0.00 C ATOM 1587 CD1 ILE A 99 4.357 2.975 -4.918 1.00 0.00 C ATOM 0 H ILE A 99 3.521 2.260 -6.717 1.00 0.00 H new ATOM 0 HA ILE A 99 3.322 -0.387 -6.612 1.00 0.00 H new ATOM 0 HB ILE A 99 2.665 1.244 -4.142 1.00 0.00 H new ATOM 0 HG12 ILE A 99 5.323 1.286 -4.044 1.00 0.00 H new ATOM 0 HG13 ILE A 99 5.172 1.206 -5.788 1.00 0.00 H new ATOM 0 HG21 ILE A 99 4.125 -0.390 -3.017 1.00 0.00 H new ATOM 0 HG22 ILE A 99 2.755 -1.174 -3.840 1.00 0.00 H new ATOM 0 HG23 ILE A 99 4.378 -1.223 -4.569 1.00 0.00 H new ATOM 0 HD11 ILE A 99 5.289 3.530 -5.024 1.00 0.00 H new ATOM 0 HD12 ILE A 99 3.707 3.192 -5.766 1.00 0.00 H new ATOM 0 HD13 ILE A 99 3.860 3.273 -3.995 1.00 0.00 H new ATOM 1599 N TYR A 100 0.442 0.951 -5.783 1.00 0.00 N ATOM 1600 CA TYR A 100 -0.865 0.717 -5.214 1.00 0.00 C ATOM 1601 C TYR A 100 -1.874 0.351 -6.296 1.00 0.00 C ATOM 1602 O TYR A 100 -2.918 -0.237 -6.018 1.00 0.00 O ATOM 1603 CB TYR A 100 -1.326 1.948 -4.434 1.00 0.00 C ATOM 1604 CG TYR A 100 -0.525 2.164 -3.170 1.00 0.00 C ATOM 1605 CD1 TYR A 100 0.549 1.337 -2.868 1.00 0.00 C ATOM 1606 CD2 TYR A 100 -0.836 3.185 -2.283 1.00 0.00 C ATOM 1607 CE1 TYR A 100 1.286 1.515 -1.725 1.00 0.00 C ATOM 1608 CE2 TYR A 100 -0.098 3.373 -1.130 1.00 0.00 C ATOM 1609 CZ TYR A 100 0.964 2.535 -0.856 1.00 0.00 C ATOM 1610 OH TYR A 100 1.705 2.718 0.289 1.00 0.00 O ATOM 0 H TYR A 100 0.613 1.912 -6.079 1.00 0.00 H new ATOM 0 HA TYR A 100 -0.797 -0.126 -4.526 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -1.242 2.830 -5.069 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -2.380 1.839 -4.179 1.00 0.00 H new ATOM 0 HD1 TYR A 100 0.809 0.538 -3.546 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -1.666 3.842 -2.497 1.00 0.00 H new ATOM 0 HE1 TYR A 100 2.115 0.858 -1.507 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -0.351 4.171 -0.447 1.00 0.00 H new ATOM 0 HH TYR A 100 2.336 3.456 0.156 1.00 0.00 H new ATOM 1620 N THR A 101 -1.544 0.694 -7.540 1.00 0.00 N ATOM 1621 CA THR A 101 -2.390 0.352 -8.676 1.00 0.00 C ATOM 1622 C THR A 101 -1.990 -0.995 -9.269 1.00 0.00 C ATOM 1623 O THR A 101 -2.809 -1.686 -9.873 1.00 0.00 O ATOM 1624 CB THR A 101 -2.319 1.429 -9.777 1.00 0.00 C ATOM 1625 OG1 THR A 101 -3.341 1.198 -10.753 1.00 0.00 O ATOM 1626 CG2 THR A 101 -0.959 1.423 -10.453 1.00 0.00 C ATOM 0 H THR A 101 -0.697 1.208 -7.784 1.00 0.00 H new ATOM 0 HA THR A 101 -3.413 0.294 -8.304 1.00 0.00 H new ATOM 0 HB THR A 101 -2.472 2.403 -9.312 1.00 0.00 H new ATOM 0 HG1 THR A 101 -3.291 1.887 -11.448 1.00 0.00 H new ATOM 0 HG21 THR A 101 -0.933 2.191 -11.226 1.00 0.00 H new ATOM 0 HG22 THR A 101 -0.184 1.626 -9.714 1.00 0.00 H new ATOM 0 HG23 THR A 101 -0.782 0.447 -10.905 1.00 0.00 H new ATOM 1634 N MET A 102 -0.727 -1.369 -9.079 1.00 0.00 N ATOM 1635 CA MET A 102 -0.248 -2.678 -9.501 1.00 0.00 C ATOM 1636 C MET A 102 -0.715 -3.748 -8.530 1.00 0.00 C ATOM 1637 O MET A 102 -0.995 -4.882 -8.922 1.00 0.00 O ATOM 1638 CB MET A 102 1.277 -2.686 -9.592 1.00 0.00 C ATOM 1639 CG MET A 102 1.837 -1.473 -10.308 1.00 0.00 C ATOM 1640 SD MET A 102 3.635 -1.491 -10.427 1.00 0.00 S ATOM 1641 CE MET A 102 4.092 -1.040 -8.755 1.00 0.00 C ATOM 0 H MET A 102 -0.019 -0.783 -8.636 1.00 0.00 H new ATOM 0 HA MET A 102 -0.658 -2.892 -10.488 1.00 0.00 H new ATOM 0 HB2 MET A 102 1.695 -2.732 -8.586 1.00 0.00 H new ATOM 0 HB3 MET A 102 1.599 -3.588 -10.112 1.00 0.00 H new ATOM 0 HG2 MET A 102 1.413 -1.422 -11.311 1.00 0.00 H new ATOM 0 HG3 MET A 102 1.522 -0.571 -9.783 1.00 0.00 H new ATOM 0 HE1 MET A 102 4.734 -0.159 -8.778 1.00 0.00 H new ATOM 0 HE2 MET A 102 3.193 -0.819 -8.179 1.00 0.00 H new ATOM 0 HE3 MET A 102 4.627 -1.867 -8.288 1.00 0.00 H new ATOM 1651 N ILE A 103 -0.824 -3.374 -7.259 1.00 0.00 N ATOM 1652 CA ILE A 103 -1.411 -4.250 -6.262 1.00 0.00 C ATOM 1653 C ILE A 103 -2.916 -4.383 -6.482 1.00 0.00 C ATOM 1654 O ILE A 103 -3.474 -5.476 -6.385 1.00 0.00 O ATOM 1655 CB ILE A 103 -1.152 -3.743 -4.827 1.00 0.00 C ATOM 1656 CG1 ILE A 103 0.344 -3.777 -4.508 1.00 0.00 C ATOM 1657 CG2 ILE A 103 -1.927 -4.576 -3.819 1.00 0.00 C ATOM 1658 CD1 ILE A 103 0.694 -3.168 -3.167 1.00 0.00 C ATOM 0 H ILE A 103 -0.513 -2.471 -6.900 1.00 0.00 H new ATOM 0 HA ILE A 103 -0.935 -5.224 -6.375 1.00 0.00 H new ATOM 0 HB ILE A 103 -1.497 -2.711 -4.761 1.00 0.00 H new ATOM 0 HG12 ILE A 103 0.687 -4.811 -4.528 1.00 0.00 H new ATOM 0 HG13 ILE A 103 0.886 -3.246 -5.291 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -1.732 -4.204 -2.813 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -2.994 -4.505 -4.032 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -1.612 -5.617 -3.888 1.00 0.00 H new ATOM 0 HD11 ILE A 103 1.771 -3.228 -3.010 1.00 0.00 H new ATOM 0 HD12 ILE A 103 0.382 -2.124 -3.149 1.00 0.00 H new ATOM 0 HD13 ILE A 103 0.181 -3.713 -2.375 1.00 0.00 H new ATOM 1670 N TYR A 104 -3.561 -3.261 -6.786 1.00 0.00 N ATOM 1671 CA TYR A 104 -4.998 -3.246 -7.040 1.00 0.00 C ATOM 1672 C TYR A 104 -5.290 -2.808 -8.475 1.00 0.00 C ATOM 1673 O TYR A 104 -5.177 -1.628 -8.805 1.00 0.00 O ATOM 1674 CB TYR A 104 -5.697 -2.302 -6.061 1.00 0.00 C ATOM 1675 CG TYR A 104 -5.387 -2.584 -4.609 1.00 0.00 C ATOM 1676 CD1 TYR A 104 -4.282 -2.012 -3.993 1.00 0.00 C ATOM 1677 CD2 TYR A 104 -6.200 -3.420 -3.853 1.00 0.00 C ATOM 1678 CE1 TYR A 104 -3.997 -2.264 -2.665 1.00 0.00 C ATOM 1679 CE2 TYR A 104 -5.920 -3.675 -2.525 1.00 0.00 C ATOM 1680 CZ TYR A 104 -4.818 -3.096 -1.935 1.00 0.00 C ATOM 1681 OH TYR A 104 -4.536 -3.349 -0.613 1.00 0.00 O ATOM 0 H TYR A 104 -3.111 -2.349 -6.863 1.00 0.00 H new ATOM 0 HA TYR A 104 -5.379 -4.258 -6.899 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -5.408 -1.277 -6.291 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -6.774 -2.371 -6.212 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -3.635 -1.360 -4.561 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -7.064 -3.877 -4.311 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -3.134 -1.811 -2.200 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -6.563 -4.326 -1.951 1.00 0.00 H new ATOM 0 HH TYR A 104 -5.213 -3.954 -0.244 1.00 0.00 H new