USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 653 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 101 ASN : amide:sc= -1.62 X(o=-3.7,f=-3.3) USER MOD Set 1.2: A 108 HIS : no HD1:sc= -2.1! C(o=-3.7!,f=-3.3!) USER MOD Set 2.1: A 81 ASN : amide:sc= -2.77! C(o=-1.5!,f=-8.7!) USER MOD Set 2.2: A 85 THR OG1 : rot 180:sc= 0.0737 USER MOD Set 2.3: A 87 SER OG : rot -134:sc= 1.19 USER MOD Set 3.1: A 72 CYS SG : rot -151:sc= -1.11! USER MOD Set 3.2: A 98 TYR OH : rot -140:sc= 1.22 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 172:sc=-0.000764 (180deg=-0.0877) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -1.77 K(o=-1.8,f=-2.4) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc=-0.00906 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -71:sc= -0.813 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 CYS SG : rot 34:sc= 0.125 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 86 CYS SG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot -18:sc= 1.03 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot -157:sc= 0.413 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 362 N PRO A 29 3.339 19.299 -1.209 1.00 0.00 N ATOM 363 CA PRO A 29 2.643 18.009 -1.182 1.00 0.00 C ATOM 364 C PRO A 29 1.205 18.137 -0.691 1.00 0.00 C ATOM 365 O PRO A 29 0.955 18.233 0.511 1.00 0.00 O ATOM 366 CB PRO A 29 3.472 17.179 -0.198 1.00 0.00 C ATOM 367 CG PRO A 29 4.128 18.183 0.685 1.00 0.00 C ATOM 368 CD PRO A 29 4.386 19.388 -0.177 1.00 0.00 C ATOM 0 HA PRO A 29 2.566 17.566 -2.175 1.00 0.00 H new ATOM 0 HB2 PRO A 29 2.842 16.499 0.375 1.00 0.00 H new ATOM 0 HB3 PRO A 29 4.209 16.568 -0.719 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.488 18.437 1.529 1.00 0.00 H new ATOM 0 HG3 PRO A 29 5.058 17.792 1.097 1.00 0.00 H new ATOM 0 HD2 PRO A 29 4.311 20.314 0.393 1.00 0.00 H new ATOM 0 HD3 PRO A 29 5.384 19.363 -0.614 1.00 0.00 H new ATOM 376 N ASP A 30 0.262 18.138 -1.627 1.00 0.00 N ATOM 377 CA ASP A 30 -1.151 18.252 -1.289 1.00 0.00 C ATOM 378 C ASP A 30 -1.848 16.900 -1.399 1.00 0.00 C ATOM 379 O ASP A 30 -2.260 16.472 -2.477 1.00 0.00 O ATOM 380 CB ASP A 30 -1.836 19.268 -2.205 1.00 0.00 C ATOM 381 CG ASP A 30 -1.680 20.692 -1.709 1.00 0.00 C ATOM 382 OD1 ASP A 30 -1.512 20.880 -0.485 1.00 0.00 O ATOM 383 OD2 ASP A 30 -1.724 21.619 -2.544 1.00 0.00 O ATOM 0 H ASP A 30 0.451 18.061 -2.626 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.225 18.596 -0.257 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.418 19.188 -3.208 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.896 19.027 -2.281 1.00 0.00 H new ATOM 388 N PRO A 31 -1.982 16.208 -0.257 1.00 0.00 N ATOM 389 CA PRO A 31 -2.628 14.894 -0.200 1.00 0.00 C ATOM 390 C PRO A 31 -4.131 14.975 -0.442 1.00 0.00 C ATOM 391 O PRO A 31 -4.711 14.111 -1.100 1.00 0.00 O ATOM 392 CB PRO A 31 -2.341 14.420 1.228 1.00 0.00 C ATOM 393 CG PRO A 31 -2.146 15.673 2.010 1.00 0.00 C ATOM 394 CD PRO A 31 -1.515 16.657 1.065 1.00 0.00 C ATOM 0 HA PRO A 31 -2.252 14.222 -0.971 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -3.168 13.831 1.624 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -1.454 13.788 1.265 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.097 16.049 2.388 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -1.506 15.498 2.875 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -1.832 17.678 1.278 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -0.427 16.640 1.134 1.00 0.00 H new ATOM 402 N SER A 32 -4.757 16.019 0.093 1.00 0.00 N ATOM 403 CA SER A 32 -6.194 16.211 -0.063 1.00 0.00 C ATOM 404 C SER A 32 -6.605 16.073 -1.526 1.00 0.00 C ATOM 405 O SER A 32 -7.751 15.745 -1.833 1.00 0.00 O ATOM 406 CB SER A 32 -6.607 17.585 0.467 1.00 0.00 C ATOM 407 OG SER A 32 -6.212 17.750 1.818 1.00 0.00 O ATOM 0 H SER A 32 -4.291 16.745 0.638 1.00 0.00 H new ATOM 0 HA SER A 32 -6.703 15.439 0.514 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.155 18.365 -0.145 1.00 0.00 H new ATOM 0 HB3 SER A 32 -7.688 17.701 0.384 1.00 0.00 H new ATOM 0 HG SER A 32 -6.486 18.637 2.133 1.00 0.00 H new ATOM 413 N LYS A 33 -5.660 16.327 -2.426 1.00 0.00 N ATOM 414 CA LYS A 33 -5.921 16.231 -3.857 1.00 0.00 C ATOM 415 C LYS A 33 -5.654 14.818 -4.365 1.00 0.00 C ATOM 416 O LYS A 33 -6.222 14.392 -5.371 1.00 0.00 O ATOM 417 CB LYS A 33 -5.052 17.232 -4.622 1.00 0.00 C ATOM 418 CG LYS A 33 -5.380 18.682 -4.314 1.00 0.00 C ATOM 419 CD LYS A 33 -6.684 19.110 -4.966 1.00 0.00 C ATOM 420 CE LYS A 33 -7.084 20.516 -4.545 1.00 0.00 C ATOM 421 NZ LYS A 33 -6.072 21.527 -4.958 1.00 0.00 N ATOM 0 H LYS A 33 -4.707 16.601 -2.189 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.972 16.466 -4.026 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.004 17.047 -4.384 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.171 17.061 -5.692 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.450 18.819 -3.235 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.570 19.322 -4.665 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.580 19.070 -6.050 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.474 18.410 -4.695 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -8.049 20.767 -4.986 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -7.210 20.549 -3.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.441 22.482 -4.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.197 21.384 -4.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.870 21.422 -5.973 1.00 0.00 H new ATOM 435 N VAL A 34 -4.788 14.094 -3.662 1.00 0.00 N ATOM 436 CA VAL A 34 -4.449 12.728 -4.041 1.00 0.00 C ATOM 437 C VAL A 34 -5.691 11.845 -4.086 1.00 0.00 C ATOM 438 O VAL A 34 -6.288 11.541 -3.053 1.00 0.00 O ATOM 439 CB VAL A 34 -3.430 12.112 -3.064 1.00 0.00 C ATOM 440 CG1 VAL A 34 -3.199 10.644 -3.390 1.00 0.00 C ATOM 441 CG2 VAL A 34 -2.122 12.887 -3.100 1.00 0.00 C ATOM 0 H VAL A 34 -4.309 14.431 -2.827 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.006 12.776 -5.036 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.836 12.176 -2.054 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.476 10.225 -2.690 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.140 10.101 -3.308 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.815 10.553 -4.406 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.414 12.438 -2.404 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.709 12.857 -4.108 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.305 13.923 -2.814 1.00 0.00 H new ATOM 451 N LYS A 35 -6.077 11.437 -5.290 1.00 0.00 N ATOM 452 CA LYS A 35 -7.247 10.587 -5.472 1.00 0.00 C ATOM 453 C LYS A 35 -6.835 9.157 -5.806 1.00 0.00 C ATOM 454 O LYS A 35 -5.857 8.934 -6.520 1.00 0.00 O ATOM 455 CB LYS A 35 -8.140 11.144 -6.582 1.00 0.00 C ATOM 456 CG LYS A 35 -8.947 12.361 -6.161 1.00 0.00 C ATOM 457 CD LYS A 35 -10.292 11.963 -5.578 1.00 0.00 C ATOM 458 CE LYS A 35 -11.320 13.073 -5.740 1.00 0.00 C ATOM 459 NZ LYS A 35 -12.530 12.834 -4.906 1.00 0.00 N ATOM 0 H LYS A 35 -5.596 11.682 -6.155 1.00 0.00 H new ATOM 0 HA LYS A 35 -7.805 10.576 -4.536 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -7.519 11.409 -7.438 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.823 10.362 -6.914 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -8.385 12.934 -5.424 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.101 13.012 -7.021 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.650 11.059 -6.071 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -10.175 11.725 -4.521 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -10.871 14.027 -5.464 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -11.610 13.149 -6.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -13.206 13.612 -5.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -12.973 11.936 -5.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -12.257 12.787 -3.904 1.00 0.00 H new ATOM 473 N ALA A 36 -7.588 8.192 -5.288 1.00 0.00 N ATOM 474 CA ALA A 36 -7.302 6.784 -5.535 1.00 0.00 C ATOM 475 C ALA A 36 -8.542 6.053 -6.040 1.00 0.00 C ATOM 476 O ALA A 36 -9.497 5.840 -5.293 1.00 0.00 O ATOM 477 CB ALA A 36 -6.776 6.123 -4.270 1.00 0.00 C ATOM 0 H ALA A 36 -8.401 8.360 -4.695 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.536 6.724 -6.308 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.567 5.072 -4.469 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.860 6.622 -3.953 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -7.524 6.201 -3.481 1.00 0.00 H new ATOM 483 N HIS A 37 -8.520 5.671 -7.313 1.00 0.00 N ATOM 484 CA HIS A 37 -9.643 4.963 -7.918 1.00 0.00 C ATOM 485 C HIS A 37 -9.153 3.817 -8.797 1.00 0.00 C ATOM 486 O HIS A 37 -8.176 3.959 -9.532 1.00 0.00 O ATOM 487 CB HIS A 37 -10.495 5.927 -8.745 1.00 0.00 C ATOM 488 CG HIS A 37 -9.752 6.560 -9.880 1.00 0.00 C ATOM 489 ND1 HIS A 37 -9.445 5.890 -11.046 1.00 0.00 N ATOM 490 CD2 HIS A 37 -9.254 7.811 -10.025 1.00 0.00 C ATOM 491 CE1 HIS A 37 -8.790 6.701 -11.858 1.00 0.00 C ATOM 492 NE2 HIS A 37 -8.661 7.873 -11.262 1.00 0.00 N ATOM 0 H HIS A 37 -7.738 5.840 -7.945 1.00 0.00 H new ATOM 0 HA HIS A 37 -10.253 4.547 -7.116 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -11.357 5.389 -9.141 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -10.880 6.710 -8.092 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -9.312 8.611 -9.302 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -8.423 6.449 -12.842 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -8.196 8.691 -11.657 1.00 0.00 H new ATOM 501 N GLY A 38 -9.838 2.680 -8.716 1.00 0.00 N ATOM 502 CA GLY A 38 -9.456 1.526 -9.509 1.00 0.00 C ATOM 503 C GLY A 38 -10.065 0.239 -8.990 1.00 0.00 C ATOM 504 O GLY A 38 -10.737 0.217 -7.958 1.00 0.00 O ATOM 0 H GLY A 38 -10.650 2.538 -8.116 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.766 1.680 -10.542 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.370 1.435 -9.513 1.00 0.00 H new ATOM 508 N PRO A 39 -9.833 -0.865 -9.715 1.00 0.00 N ATOM 509 CA PRO A 39 -10.356 -2.183 -9.341 1.00 0.00 C ATOM 510 C PRO A 39 -9.681 -2.741 -8.093 1.00 0.00 C ATOM 511 O PRO A 39 -10.328 -3.365 -7.253 1.00 0.00 O ATOM 512 CB PRO A 39 -10.032 -3.051 -10.559 1.00 0.00 C ATOM 513 CG PRO A 39 -8.863 -2.386 -11.199 1.00 0.00 C ATOM 514 CD PRO A 39 -9.041 -0.913 -10.955 1.00 0.00 C ATOM 0 HA PRO A 39 -11.418 -2.147 -9.097 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -9.794 -4.073 -10.264 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -10.879 -3.106 -11.243 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -7.927 -2.743 -10.769 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -8.826 -2.603 -12.266 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -8.083 -0.406 -10.839 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -9.560 -0.429 -11.782 1.00 0.00 H new ATOM 522 N GLY A 40 -8.376 -2.513 -7.978 1.00 0.00 N ATOM 523 CA GLY A 40 -7.636 -3.000 -6.829 1.00 0.00 C ATOM 524 C GLY A 40 -8.182 -2.468 -5.519 1.00 0.00 C ATOM 525 O GLY A 40 -7.926 -3.034 -4.456 1.00 0.00 O ATOM 0 H GLY A 40 -7.818 -2.000 -8.660 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.667 -4.089 -6.816 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.589 -2.712 -6.926 1.00 0.00 H new ATOM 529 N LEU A 41 -8.935 -1.376 -5.594 1.00 0.00 N ATOM 530 CA LEU A 41 -9.518 -0.766 -4.405 1.00 0.00 C ATOM 531 C LEU A 41 -10.787 -1.501 -3.981 1.00 0.00 C ATOM 532 O LEU A 41 -10.926 -1.902 -2.827 1.00 0.00 O ATOM 533 CB LEU A 41 -9.832 0.708 -4.665 1.00 0.00 C ATOM 534 CG LEU A 41 -8.667 1.565 -5.160 1.00 0.00 C ATOM 535 CD1 LEU A 41 -9.155 2.948 -5.565 1.00 0.00 C ATOM 536 CD2 LEU A 41 -7.590 1.670 -4.090 1.00 0.00 C ATOM 0 H LEU A 41 -9.156 -0.895 -6.466 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.791 -0.839 -3.596 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -10.635 0.764 -5.399 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.213 1.146 -3.742 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.234 1.084 -6.037 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.312 3.543 -5.915 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -9.890 2.855 -6.365 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -9.614 3.438 -4.706 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.768 2.284 -4.460 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -8.010 2.128 -3.194 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.219 0.674 -3.848 1.00 0.00 H new ATOM 548 N GLU A 42 -11.707 -1.674 -4.925 1.00 0.00 N ATOM 549 CA GLU A 42 -12.962 -2.362 -4.650 1.00 0.00 C ATOM 550 C GLU A 42 -12.714 -3.822 -4.281 1.00 0.00 C ATOM 551 O GLU A 42 -13.467 -4.416 -3.511 1.00 0.00 O ATOM 552 CB GLU A 42 -13.890 -2.282 -5.863 1.00 0.00 C ATOM 553 CG GLU A 42 -13.691 -3.414 -6.857 1.00 0.00 C ATOM 554 CD GLU A 42 -14.610 -3.304 -8.059 1.00 0.00 C ATOM 555 OE1 GLU A 42 -15.801 -2.981 -7.866 1.00 0.00 O ATOM 556 OE2 GLU A 42 -14.139 -3.541 -9.190 1.00 0.00 O ATOM 0 H GLU A 42 -11.606 -1.347 -5.886 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.439 -1.868 -3.804 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -14.924 -2.289 -5.520 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -13.729 -1.331 -6.371 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.655 -3.417 -7.196 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -13.866 -4.367 -6.357 1.00 0.00 H new ATOM 563 N GLY A 43 -11.650 -4.394 -4.838 1.00 0.00 N ATOM 564 CA GLY A 43 -11.321 -5.779 -4.557 1.00 0.00 C ATOM 565 C GLY A 43 -10.686 -6.477 -5.744 1.00 0.00 C ATOM 566 O GLY A 43 -10.297 -5.831 -6.716 1.00 0.00 O ATOM 0 H GLY A 43 -11.011 -3.923 -5.478 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.640 -5.822 -3.707 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -12.226 -6.313 -4.267 1.00 0.00 H new ATOM 570 N GLY A 44 -10.581 -7.800 -5.664 1.00 0.00 N ATOM 571 CA GLY A 44 -9.987 -8.563 -6.746 1.00 0.00 C ATOM 572 C GLY A 44 -10.131 -10.059 -6.548 1.00 0.00 C ATOM 573 O GLY A 44 -11.170 -10.535 -6.088 1.00 0.00 O ATOM 0 H GLY A 44 -10.897 -8.357 -4.870 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -10.456 -8.278 -7.688 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -8.930 -8.310 -6.827 1.00 0.00 H new ATOM 577 N LEU A 45 -9.088 -10.803 -6.897 1.00 0.00 N ATOM 578 CA LEU A 45 -9.102 -12.255 -6.756 1.00 0.00 C ATOM 579 C LEU A 45 -7.827 -12.750 -6.082 1.00 0.00 C ATOM 580 O LEU A 45 -6.797 -12.075 -6.106 1.00 0.00 O ATOM 581 CB LEU A 45 -9.260 -12.918 -8.125 1.00 0.00 C ATOM 582 CG LEU A 45 -10.531 -12.568 -8.899 1.00 0.00 C ATOM 583 CD1 LEU A 45 -10.341 -12.828 -10.385 1.00 0.00 C ATOM 584 CD2 LEU A 45 -11.716 -13.359 -8.364 1.00 0.00 C ATOM 0 H LEU A 45 -8.221 -10.425 -7.280 1.00 0.00 H new ATOM 0 HA LEU A 45 -9.950 -12.526 -6.128 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.400 -12.649 -8.738 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.228 -13.999 -7.988 1.00 0.00 H new ATOM 0 HG LEU A 45 -10.736 -11.506 -8.761 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -11.256 -12.573 -10.919 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -9.520 -12.216 -10.759 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -10.110 -13.881 -10.543 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -12.612 -13.097 -8.927 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -11.519 -14.426 -8.471 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -11.866 -13.121 -7.311 1.00 0.00 H new ATOM 596 N VAL A 46 -7.901 -13.934 -5.483 1.00 0.00 N ATOM 597 CA VAL A 46 -6.751 -14.522 -4.805 1.00 0.00 C ATOM 598 C VAL A 46 -5.650 -14.875 -5.798 1.00 0.00 C ATOM 599 O VAL A 46 -5.922 -15.216 -6.948 1.00 0.00 O ATOM 600 CB VAL A 46 -7.148 -15.787 -4.022 1.00 0.00 C ATOM 601 CG1 VAL A 46 -5.943 -16.363 -3.293 1.00 0.00 C ATOM 602 CG2 VAL A 46 -8.275 -15.480 -3.048 1.00 0.00 C ATOM 0 H VAL A 46 -8.745 -14.505 -5.453 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.378 -13.774 -4.105 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.506 -16.534 -4.730 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -6.242 -17.256 -2.745 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.170 -16.623 -4.016 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.552 -15.623 -2.595 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.542 -16.386 -2.504 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.948 -14.716 -2.343 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -9.143 -15.118 -3.599 1.00 0.00 H new ATOM 612 N GLY A 47 -4.403 -14.792 -5.344 1.00 0.00 N ATOM 613 CA GLY A 47 -3.277 -15.107 -6.205 1.00 0.00 C ATOM 614 C GLY A 47 -3.365 -14.414 -7.551 1.00 0.00 C ATOM 615 O GLY A 47 -2.750 -14.850 -8.524 1.00 0.00 O ATOM 0 H GLY A 47 -4.152 -14.512 -4.396 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.351 -14.815 -5.709 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.230 -16.185 -6.357 1.00 0.00 H new ATOM 619 N LYS A 48 -4.134 -13.332 -7.608 1.00 0.00 N ATOM 620 CA LYS A 48 -4.302 -12.576 -8.843 1.00 0.00 C ATOM 621 C LYS A 48 -3.823 -11.138 -8.671 1.00 0.00 C ATOM 622 O LYS A 48 -3.900 -10.559 -7.587 1.00 0.00 O ATOM 623 CB LYS A 48 -5.769 -12.588 -9.277 1.00 0.00 C ATOM 624 CG LYS A 48 -6.132 -13.768 -10.163 1.00 0.00 C ATOM 625 CD LYS A 48 -7.252 -13.417 -11.128 1.00 0.00 C ATOM 626 CE LYS A 48 -6.708 -12.864 -12.436 1.00 0.00 C ATOM 627 NZ LYS A 48 -6.314 -13.949 -13.376 1.00 0.00 N ATOM 0 H LYS A 48 -4.651 -12.959 -6.812 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.697 -13.051 -9.615 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.402 -12.603 -8.389 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.989 -11.663 -9.810 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.254 -14.087 -10.724 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.436 -14.610 -9.542 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.852 -14.304 -11.329 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.913 -12.682 -10.668 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.463 -12.233 -12.905 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.845 -12.230 -12.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.948 -13.531 -14.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.575 -14.536 -12.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.143 -14.539 -13.592 1.00 0.00 H new ATOM 641 N PRO A 49 -3.319 -10.546 -9.764 1.00 0.00 N ATOM 642 CA PRO A 49 -2.821 -9.167 -9.759 1.00 0.00 C ATOM 643 C PRO A 49 -3.942 -8.146 -9.603 1.00 0.00 C ATOM 644 O PRO A 49 -4.960 -8.218 -10.291 1.00 0.00 O ATOM 645 CB PRO A 49 -2.155 -9.026 -11.130 1.00 0.00 C ATOM 646 CG PRO A 49 -2.845 -10.026 -11.991 1.00 0.00 C ATOM 647 CD PRO A 49 -3.198 -11.177 -11.089 1.00 0.00 C ATOM 0 HA PRO A 49 -2.149 -8.979 -8.922 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -2.271 -8.017 -11.525 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.085 -9.224 -11.072 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.739 -9.599 -12.446 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.198 -10.353 -12.805 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -4.129 -11.655 -11.393 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.426 -11.947 -11.099 1.00 0.00 H new ATOM 655 N ALA A 50 -3.749 -7.196 -8.694 1.00 0.00 N ATOM 656 CA ALA A 50 -4.743 -6.158 -8.450 1.00 0.00 C ATOM 657 C ALA A 50 -4.081 -4.800 -8.246 1.00 0.00 C ATOM 658 O ALA A 50 -3.278 -4.623 -7.330 1.00 0.00 O ATOM 659 CB ALA A 50 -5.597 -6.518 -7.243 1.00 0.00 C ATOM 0 H ALA A 50 -2.913 -7.124 -8.114 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.385 -6.091 -9.328 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.335 -5.734 -7.073 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.108 -7.463 -7.428 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.961 -6.615 -6.363 1.00 0.00 H new ATOM 665 N GLU A 51 -4.422 -3.845 -9.105 1.00 0.00 N ATOM 666 CA GLU A 51 -3.858 -2.503 -9.018 1.00 0.00 C ATOM 667 C GLU A 51 -4.931 -1.445 -9.258 1.00 0.00 C ATOM 668 O GLU A 51 -6.075 -1.767 -9.579 1.00 0.00 O ATOM 669 CB GLU A 51 -2.724 -2.335 -10.032 1.00 0.00 C ATOM 670 CG GLU A 51 -3.069 -2.847 -11.421 1.00 0.00 C ATOM 671 CD GLU A 51 -1.896 -2.773 -12.378 1.00 0.00 C ATOM 672 OE1 GLU A 51 -1.088 -3.725 -12.400 1.00 0.00 O ATOM 673 OE2 GLU A 51 -1.785 -1.764 -13.105 1.00 0.00 O ATOM 0 H GLU A 51 -5.086 -3.975 -9.869 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.459 -2.369 -8.013 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.460 -1.279 -10.098 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.842 -2.862 -9.668 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -3.410 -3.880 -11.349 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.898 -2.265 -11.823 1.00 0.00 H new ATOM 680 N PHE A 52 -4.553 -0.181 -9.101 1.00 0.00 N ATOM 681 CA PHE A 52 -5.482 0.925 -9.299 1.00 0.00 C ATOM 682 C PHE A 52 -4.754 2.160 -9.823 1.00 0.00 C ATOM 683 O PHE A 52 -3.536 2.148 -10.002 1.00 0.00 O ATOM 684 CB PHE A 52 -6.197 1.260 -7.988 1.00 0.00 C ATOM 685 CG PHE A 52 -5.293 1.230 -6.788 1.00 0.00 C ATOM 686 CD1 PHE A 52 -4.886 0.025 -6.241 1.00 0.00 C ATOM 687 CD2 PHE A 52 -4.852 2.409 -6.207 1.00 0.00 C ATOM 688 CE1 PHE A 52 -4.054 -0.006 -5.137 1.00 0.00 C ATOM 689 CE2 PHE A 52 -4.020 2.384 -5.104 1.00 0.00 C ATOM 690 CZ PHE A 52 -3.622 1.176 -4.567 1.00 0.00 C ATOM 0 H PHE A 52 -3.610 0.103 -8.837 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.220 0.618 -10.040 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.645 2.250 -8.071 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -7.012 0.552 -7.837 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.222 -0.902 -6.682 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.162 3.357 -6.621 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.742 -0.953 -4.721 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.681 3.309 -4.662 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.974 1.155 -3.703 1.00 0.00 H new ATOM 700 N THR A 53 -5.511 3.225 -10.070 1.00 0.00 N ATOM 701 CA THR A 53 -4.940 4.467 -10.576 1.00 0.00 C ATOM 702 C THR A 53 -4.891 5.533 -9.488 1.00 0.00 C ATOM 703 O THR A 53 -5.902 5.828 -8.850 1.00 0.00 O ATOM 704 CB THR A 53 -5.744 5.008 -11.774 1.00 0.00 C ATOM 705 OG1 THR A 53 -6.002 3.953 -12.707 1.00 0.00 O ATOM 706 CG2 THR A 53 -4.990 6.132 -12.468 1.00 0.00 C ATOM 0 H THR A 53 -6.521 3.252 -9.928 1.00 0.00 H new ATOM 0 HA THR A 53 -3.925 4.238 -10.902 1.00 0.00 H new ATOM 0 HB THR A 53 -6.689 5.402 -11.401 1.00 0.00 H new ATOM 0 HG1 THR A 53 -6.515 4.304 -13.465 1.00 0.00 H new ATOM 0 HG21 THR A 53 -5.577 6.498 -13.310 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.820 6.946 -11.763 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.032 5.759 -12.829 1.00 0.00 H new ATOM 714 N ILE A 54 -3.712 6.108 -9.282 1.00 0.00 N ATOM 715 CA ILE A 54 -3.533 7.144 -8.272 1.00 0.00 C ATOM 716 C ILE A 54 -3.204 8.487 -8.914 1.00 0.00 C ATOM 717 O ILE A 54 -2.306 8.584 -9.750 1.00 0.00 O ATOM 718 CB ILE A 54 -2.415 6.775 -7.279 1.00 0.00 C ATOM 719 CG1 ILE A 54 -2.766 5.482 -6.540 1.00 0.00 C ATOM 720 CG2 ILE A 54 -2.187 7.910 -6.292 1.00 0.00 C ATOM 721 CD1 ILE A 54 -1.635 4.945 -5.690 1.00 0.00 C ATOM 0 H ILE A 54 -2.866 5.874 -9.801 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.476 7.224 -7.732 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.493 6.614 -7.837 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.634 5.660 -5.905 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.054 4.724 -7.268 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.394 7.634 -5.597 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.898 8.811 -6.834 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -3.106 8.100 -5.737 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.955 4.028 -5.196 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.773 4.735 -6.323 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.361 5.685 -4.938 1.00 0.00 H new ATOM 733 N ASP A 55 -3.937 9.522 -8.516 1.00 0.00 N ATOM 734 CA ASP A 55 -3.722 10.862 -9.050 1.00 0.00 C ATOM 735 C ASP A 55 -2.788 11.663 -8.148 1.00 0.00 C ATOM 736 O ASP A 55 -3.092 11.905 -6.979 1.00 0.00 O ATOM 737 CB ASP A 55 -5.056 11.594 -9.202 1.00 0.00 C ATOM 738 CG ASP A 55 -6.134 10.714 -9.805 1.00 0.00 C ATOM 739 OD1 ASP A 55 -6.793 9.978 -9.042 1.00 0.00 O ATOM 740 OD2 ASP A 55 -6.317 10.761 -11.039 1.00 0.00 O ATOM 0 H ASP A 55 -4.685 9.458 -7.826 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.256 10.765 -10.031 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -5.385 11.950 -8.226 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.915 12.473 -9.831 1.00 0.00 H new ATOM 745 N THR A 56 -1.649 12.071 -8.698 1.00 0.00 N ATOM 746 CA THR A 56 -0.669 12.843 -7.943 1.00 0.00 C ATOM 747 C THR A 56 -0.382 14.179 -8.619 1.00 0.00 C ATOM 748 O THR A 56 0.002 15.148 -7.965 1.00 0.00 O ATOM 749 CB THR A 56 0.652 12.068 -7.781 1.00 0.00 C ATOM 750 OG1 THR A 56 1.105 11.600 -9.056 1.00 0.00 O ATOM 751 CG2 THR A 56 0.476 10.889 -6.836 1.00 0.00 C ATOM 0 H THR A 56 -1.382 11.880 -9.664 1.00 0.00 H new ATOM 0 HA THR A 56 -1.099 13.023 -6.958 1.00 0.00 H new ATOM 0 HB THR A 56 1.394 12.745 -7.358 1.00 0.00 H new ATOM 0 HG1 THR A 56 1.946 11.110 -8.944 1.00 0.00 H new ATOM 0 HG21 THR A 56 1.422 10.357 -6.738 1.00 0.00 H new ATOM 0 HG22 THR A 56 0.160 11.251 -5.858 1.00 0.00 H new ATOM 0 HG23 THR A 56 -0.280 10.213 -7.235 1.00 0.00 H new ATOM 759 N LYS A 57 -0.572 14.224 -9.934 1.00 0.00 N ATOM 760 CA LYS A 57 -0.335 15.442 -10.700 1.00 0.00 C ATOM 761 C LYS A 57 -0.887 16.661 -9.967 1.00 0.00 C ATOM 762 O LYS A 57 -0.204 17.675 -9.828 1.00 0.00 O ATOM 763 CB LYS A 57 -0.979 15.331 -12.084 1.00 0.00 C ATOM 764 CG LYS A 57 -0.360 14.254 -12.958 1.00 0.00 C ATOM 765 CD LYS A 57 -1.301 13.832 -14.073 1.00 0.00 C ATOM 766 CE LYS A 57 -2.419 12.941 -13.552 1.00 0.00 C ATOM 767 NZ LYS A 57 -3.419 12.629 -14.611 1.00 0.00 N ATOM 0 H LYS A 57 -0.889 13.431 -10.491 1.00 0.00 H new ATOM 0 HA LYS A 57 0.742 15.566 -10.816 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.043 15.124 -11.965 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.896 16.292 -12.592 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.572 14.623 -13.387 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.108 13.388 -12.346 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.729 14.717 -14.544 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.740 13.301 -14.843 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.995 12.013 -13.168 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.916 13.434 -12.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.164 12.020 -14.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -3.842 13.513 -14.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.950 12.136 -15.397 1.00 0.00 H new ATOM 781 N GLY A 58 -2.127 16.554 -9.500 1.00 0.00 N ATOM 782 CA GLY A 58 -2.748 17.655 -8.786 1.00 0.00 C ATOM 783 C GLY A 58 -2.510 17.584 -7.291 1.00 0.00 C ATOM 784 O GLY A 58 -3.359 17.995 -6.501 1.00 0.00 O ATOM 0 H GLY A 58 -2.713 15.725 -9.603 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -2.358 18.598 -9.169 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -3.820 17.651 -8.981 1.00 0.00 H new ATOM 788 N ALA A 59 -1.352 17.060 -6.902 1.00 0.00 N ATOM 789 CA ALA A 59 -1.006 16.936 -5.491 1.00 0.00 C ATOM 790 C ALA A 59 0.304 17.654 -5.183 1.00 0.00 C ATOM 791 O ALA A 59 0.361 18.512 -4.303 1.00 0.00 O ATOM 792 CB ALA A 59 -0.911 15.470 -5.097 1.00 0.00 C ATOM 0 H ALA A 59 -0.638 16.715 -7.544 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.796 17.407 -4.906 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.652 15.393 -4.041 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -1.871 14.983 -5.272 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.142 14.981 -5.696 1.00 0.00 H new ATOM 798 N GLY A 60 1.356 17.297 -5.914 1.00 0.00 N ATOM 799 CA GLY A 60 2.651 17.917 -5.703 1.00 0.00 C ATOM 800 C GLY A 60 3.796 16.937 -5.863 1.00 0.00 C ATOM 801 O GLY A 60 3.756 16.059 -6.726 1.00 0.00 O ATOM 0 H GLY A 60 1.334 16.590 -6.648 1.00 0.00 H new ATOM 0 HA2 GLY A 60 2.777 18.737 -6.410 1.00 0.00 H new ATOM 0 HA3 GLY A 60 2.684 18.350 -4.703 1.00 0.00 H new ATOM 805 N THR A 61 4.822 17.086 -5.030 1.00 0.00 N ATOM 806 CA THR A 61 5.984 16.209 -5.085 1.00 0.00 C ATOM 807 C THR A 61 6.420 15.786 -3.687 1.00 0.00 C ATOM 808 O THR A 61 6.404 16.586 -2.753 1.00 0.00 O ATOM 809 CB THR A 61 7.169 16.889 -5.796 1.00 0.00 C ATOM 810 OG1 THR A 61 6.747 17.409 -7.062 1.00 0.00 O ATOM 811 CG2 THR A 61 8.313 15.908 -6.001 1.00 0.00 C ATOM 0 H THR A 61 4.871 17.806 -4.309 1.00 0.00 H new ATOM 0 HA THR A 61 5.687 15.327 -5.653 1.00 0.00 H new ATOM 0 HB THR A 61 7.521 17.706 -5.167 1.00 0.00 H new ATOM 0 HG1 THR A 61 7.505 17.841 -7.507 1.00 0.00 H new ATOM 0 HG21 THR A 61 9.138 16.411 -6.505 1.00 0.00 H new ATOM 0 HG22 THR A 61 8.651 15.536 -5.034 1.00 0.00 H new ATOM 0 HG23 THR A 61 7.971 15.072 -6.611 1.00 0.00 H new ATOM 819 N GLY A 62 6.811 14.523 -3.550 1.00 0.00 N ATOM 820 CA GLY A 62 7.247 14.016 -2.262 1.00 0.00 C ATOM 821 C GLY A 62 7.343 12.504 -2.236 1.00 0.00 C ATOM 822 O GLY A 62 8.134 11.912 -2.970 1.00 0.00 O ATOM 0 H GLY A 62 6.834 13.841 -4.308 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.220 14.443 -2.017 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.551 14.346 -1.491 1.00 0.00 H new ATOM 826 N GLY A 63 6.537 11.876 -1.385 1.00 0.00 N ATOM 827 CA GLY A 63 6.552 10.428 -1.281 1.00 0.00 C ATOM 828 C GLY A 63 5.241 9.871 -0.761 1.00 0.00 C ATOM 829 O GLY A 63 4.506 10.555 -0.048 1.00 0.00 O ATOM 0 H GLY A 63 5.874 12.344 -0.766 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.763 9.999 -2.260 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.362 10.123 -0.618 1.00 0.00 H new ATOM 833 N LEU A 64 4.945 8.627 -1.121 1.00 0.00 N ATOM 834 CA LEU A 64 3.713 7.978 -0.688 1.00 0.00 C ATOM 835 C LEU A 64 4.006 6.626 -0.046 1.00 0.00 C ATOM 836 O LEU A 64 4.743 5.811 -0.600 1.00 0.00 O ATOM 837 CB LEU A 64 2.764 7.798 -1.874 1.00 0.00 C ATOM 838 CG LEU A 64 1.427 7.120 -1.568 1.00 0.00 C ATOM 839 CD1 LEU A 64 0.395 8.149 -1.132 1.00 0.00 C ATOM 840 CD2 LEU A 64 0.932 6.346 -2.780 1.00 0.00 C ATOM 0 H LEU A 64 5.542 8.048 -1.712 1.00 0.00 H new ATOM 0 HA LEU A 64 3.237 8.617 0.056 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.561 8.779 -2.303 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.277 7.215 -2.639 1.00 0.00 H new ATOM 0 HG LEU A 64 1.577 6.416 -0.749 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.550 7.649 -0.919 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.746 8.659 -0.235 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.248 8.877 -1.930 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.020 5.870 -2.544 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.798 7.030 -3.618 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.663 5.583 -3.047 1.00 0.00 H new ATOM 852 N GLY A 65 3.420 6.393 1.125 1.00 0.00 N ATOM 853 CA GLY A 65 3.629 5.137 1.822 1.00 0.00 C ATOM 854 C GLY A 65 2.436 4.209 1.715 1.00 0.00 C ATOM 855 O GLY A 65 1.385 4.466 2.306 1.00 0.00 O ATOM 0 H GLY A 65 2.805 7.051 1.603 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.509 4.641 1.414 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.836 5.338 2.873 1.00 0.00 H new ATOM 859 N LEU A 66 2.594 3.128 0.959 1.00 0.00 N ATOM 860 CA LEU A 66 1.520 2.159 0.775 1.00 0.00 C ATOM 861 C LEU A 66 1.799 0.881 1.559 1.00 0.00 C ATOM 862 O LEU A 66 2.847 0.255 1.395 1.00 0.00 O ATOM 863 CB LEU A 66 1.349 1.833 -0.710 1.00 0.00 C ATOM 864 CG LEU A 66 -0.026 1.310 -1.128 1.00 0.00 C ATOM 865 CD1 LEU A 66 -1.023 2.453 -1.234 1.00 0.00 C ATOM 866 CD2 LEU A 66 0.069 0.558 -2.448 1.00 0.00 C ATOM 0 H LEU A 66 3.456 2.901 0.463 1.00 0.00 H new ATOM 0 HA LEU A 66 0.598 2.600 1.152 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.564 2.733 -1.286 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.098 1.091 -0.987 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.379 0.618 -0.363 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.995 2.061 -1.532 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.113 2.948 -0.267 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.677 3.170 -1.978 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.918 0.193 -2.731 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.443 1.228 -3.222 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.750 -0.286 -2.338 1.00 0.00 H new ATOM 878 N THR A 67 0.854 0.496 2.411 1.00 0.00 N ATOM 879 CA THR A 67 0.997 -0.708 3.219 1.00 0.00 C ATOM 880 C THR A 67 -0.307 -1.495 3.271 1.00 0.00 C ATOM 881 O THR A 67 -1.374 -0.932 3.520 1.00 0.00 O ATOM 882 CB THR A 67 1.438 -0.371 4.656 1.00 0.00 C ATOM 883 OG1 THR A 67 0.606 0.664 5.193 1.00 0.00 O ATOM 884 CG2 THR A 67 2.892 0.074 4.686 1.00 0.00 C ATOM 0 H THR A 67 -0.019 1.002 2.559 1.00 0.00 H new ATOM 0 HA THR A 67 1.766 -1.317 2.744 1.00 0.00 H new ATOM 0 HB THR A 67 1.338 -1.270 5.264 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.812 1.513 4.749 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.180 0.306 5.711 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.525 -0.726 4.304 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.014 0.961 4.065 1.00 0.00 H new ATOM 892 N VAL A 68 -0.216 -2.799 3.034 1.00 0.00 N ATOM 893 CA VAL A 68 -1.390 -3.664 3.056 1.00 0.00 C ATOM 894 C VAL A 68 -1.643 -4.212 4.456 1.00 0.00 C ATOM 895 O VAL A 68 -0.991 -5.163 4.887 1.00 0.00 O ATOM 896 CB VAL A 68 -1.238 -4.842 2.075 1.00 0.00 C ATOM 897 CG1 VAL A 68 -2.345 -5.863 2.290 1.00 0.00 C ATOM 898 CG2 VAL A 68 -1.235 -4.341 0.639 1.00 0.00 C ATOM 0 H VAL A 68 0.659 -3.280 2.824 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.239 -3.053 2.749 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.283 -5.332 2.267 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -2.221 -6.688 1.588 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.295 -6.244 3.310 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.313 -5.390 2.126 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.127 -5.186 -0.041 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.173 -3.826 0.431 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.403 -3.651 0.496 1.00 0.00 H new ATOM 908 N GLU A 69 -2.594 -3.607 5.160 1.00 0.00 N ATOM 909 CA GLU A 69 -2.933 -4.035 6.512 1.00 0.00 C ATOM 910 C GLU A 69 -3.953 -5.169 6.484 1.00 0.00 C ATOM 911 O GLU A 69 -5.094 -5.003 6.913 1.00 0.00 O ATOM 912 CB GLU A 69 -3.484 -2.859 7.321 1.00 0.00 C ATOM 913 CG GLU A 69 -2.404 -1.967 7.911 1.00 0.00 C ATOM 914 CD GLU A 69 -1.727 -2.591 9.115 1.00 0.00 C ATOM 915 OE1 GLU A 69 -2.433 -3.205 9.943 1.00 0.00 O ATOM 916 OE2 GLU A 69 -0.489 -2.466 9.230 1.00 0.00 O ATOM 0 H GLU A 69 -3.143 -2.819 4.817 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.023 -4.399 6.988 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.129 -2.258 6.680 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.106 -3.244 8.129 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.656 -1.755 7.147 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.844 -1.013 8.200 1.00 0.00 H new ATOM 923 N GLY A 70 -3.533 -6.323 5.974 1.00 0.00 N ATOM 924 CA GLY A 70 -4.422 -7.468 5.898 1.00 0.00 C ATOM 925 C GLY A 70 -4.029 -8.571 6.861 1.00 0.00 C ATOM 926 O GLY A 70 -3.038 -8.470 7.583 1.00 0.00 O ATOM 0 H GLY A 70 -2.593 -6.485 5.612 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.441 -7.148 6.113 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -4.419 -7.860 4.881 1.00 0.00 H new ATOM 930 N PRO A 71 -4.821 -9.654 6.880 1.00 0.00 N ATOM 931 CA PRO A 71 -4.572 -10.801 7.758 1.00 0.00 C ATOM 932 C PRO A 71 -3.335 -11.591 7.343 1.00 0.00 C ATOM 933 O PRO A 71 -2.768 -12.339 8.140 1.00 0.00 O ATOM 934 CB PRO A 71 -5.832 -11.654 7.594 1.00 0.00 C ATOM 935 CG PRO A 71 -6.362 -11.292 6.250 1.00 0.00 C ATOM 936 CD PRO A 71 -6.020 -9.842 6.046 1.00 0.00 C ATOM 0 HA PRO A 71 -4.381 -10.493 8.786 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -5.601 -12.717 7.655 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -6.559 -11.440 8.377 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -5.913 -11.912 5.474 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -7.439 -11.449 6.200 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -5.819 -9.620 4.998 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -6.834 -9.189 6.360 1.00 0.00 H new ATOM 944 N CYS A 72 -2.923 -11.420 6.092 1.00 0.00 N ATOM 945 CA CYS A 72 -1.753 -12.118 5.570 1.00 0.00 C ATOM 946 C CYS A 72 -0.697 -11.127 5.092 1.00 0.00 C ATOM 947 O CYS A 72 -0.861 -9.916 5.231 1.00 0.00 O ATOM 948 CB CYS A 72 -2.156 -13.046 4.423 1.00 0.00 C ATOM 949 SG CYS A 72 -3.600 -12.483 3.492 1.00 0.00 S ATOM 0 H CYS A 72 -3.381 -10.804 5.420 1.00 0.00 H new ATOM 0 HA CYS A 72 -1.327 -12.714 6.377 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -1.313 -13.148 3.739 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -2.361 -14.037 4.827 1.00 0.00 H new ATOM 0 HG CYS A 72 -4.228 -13.510 3.001 1.00 0.00 H new ATOM 955 N GLU A 73 0.388 -11.652 4.529 1.00 0.00 N ATOM 956 CA GLU A 73 1.472 -10.812 4.033 1.00 0.00 C ATOM 957 C GLU A 73 1.496 -10.801 2.507 1.00 0.00 C ATOM 958 O GLU A 73 2.190 -11.602 1.882 1.00 0.00 O ATOM 959 CB GLU A 73 2.816 -11.305 4.573 1.00 0.00 C ATOM 960 CG GLU A 73 4.014 -10.611 3.946 1.00 0.00 C ATOM 961 CD GLU A 73 5.334 -11.115 4.498 1.00 0.00 C ATOM 962 OE1 GLU A 73 5.616 -12.322 4.352 1.00 0.00 O ATOM 963 OE2 GLU A 73 6.084 -10.300 5.076 1.00 0.00 O ATOM 0 H GLU A 73 0.539 -12.653 4.405 1.00 0.00 H new ATOM 0 HA GLU A 73 1.300 -9.794 4.383 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.842 -11.153 5.652 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.896 -12.378 4.400 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.994 -10.763 2.867 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.939 -9.537 4.118 1.00 0.00 H new ATOM 970 N ALA A 74 0.733 -9.888 1.915 1.00 0.00 N ATOM 971 CA ALA A 74 0.668 -9.772 0.464 1.00 0.00 C ATOM 972 C ALA A 74 1.747 -8.829 -0.060 1.00 0.00 C ATOM 973 O ALA A 74 2.033 -7.797 0.548 1.00 0.00 O ATOM 974 CB ALA A 74 -0.710 -9.291 0.034 1.00 0.00 C ATOM 0 H ALA A 74 0.151 -9.218 2.418 1.00 0.00 H new ATOM 0 HA ALA A 74 0.846 -10.759 0.037 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.744 -9.209 -1.052 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.465 -10.003 0.368 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -0.910 -8.316 0.478 1.00 0.00 H new ATOM 980 N LYS A 75 2.343 -9.191 -1.191 1.00 0.00 N ATOM 981 CA LYS A 75 3.390 -8.378 -1.798 1.00 0.00 C ATOM 982 C LYS A 75 2.804 -7.118 -2.427 1.00 0.00 C ATOM 983 O LYS A 75 1.656 -7.111 -2.872 1.00 0.00 O ATOM 984 CB LYS A 75 4.143 -9.187 -2.856 1.00 0.00 C ATOM 985 CG LYS A 75 5.595 -8.770 -3.021 1.00 0.00 C ATOM 986 CD LYS A 75 5.748 -7.689 -4.078 1.00 0.00 C ATOM 987 CE LYS A 75 7.207 -7.476 -4.450 1.00 0.00 C ATOM 988 NZ LYS A 75 7.915 -6.624 -3.454 1.00 0.00 N ATOM 0 H LYS A 75 2.119 -10.042 -1.706 1.00 0.00 H new ATOM 0 HA LYS A 75 4.086 -8.081 -1.014 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.105 -10.243 -2.589 1.00 0.00 H new ATOM 0 HB3 LYS A 75 3.632 -9.082 -3.813 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.980 -8.406 -2.069 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.195 -9.637 -3.297 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.181 -7.965 -4.967 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.326 -6.755 -3.708 1.00 0.00 H new ATOM 0 HE2 LYS A 75 7.708 -8.441 -4.523 1.00 0.00 H new ATOM 0 HE3 LYS A 75 7.267 -7.010 -5.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 8.907 -6.503 -3.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.453 -5.694 -3.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.880 -7.080 -2.520 1.00 0.00 H new ATOM 1002 N ILE A 76 3.601 -6.055 -2.463 1.00 0.00 N ATOM 1003 CA ILE A 76 3.161 -4.791 -3.041 1.00 0.00 C ATOM 1004 C ILE A 76 4.181 -4.260 -4.043 1.00 0.00 C ATOM 1005 O ILE A 76 5.294 -3.887 -3.672 1.00 0.00 O ATOM 1006 CB ILE A 76 2.926 -3.726 -1.953 1.00 0.00 C ATOM 1007 CG1 ILE A 76 1.971 -4.261 -0.884 1.00 0.00 C ATOM 1008 CG2 ILE A 76 2.376 -2.449 -2.571 1.00 0.00 C ATOM 1009 CD1 ILE A 76 1.924 -3.409 0.365 1.00 0.00 C ATOM 0 H ILE A 76 4.554 -6.044 -2.099 1.00 0.00 H new ATOM 0 HA ILE A 76 2.220 -4.989 -3.554 1.00 0.00 H new ATOM 0 HB ILE A 76 3.880 -3.495 -1.479 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.968 -4.329 -1.306 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.272 -5.273 -0.613 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.215 -1.706 -1.789 1.00 0.00 H new ATOM 0 HG22 ILE A 76 3.088 -2.061 -3.299 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.430 -2.663 -3.068 1.00 0.00 H new ATOM 0 HD11 ILE A 76 1.227 -3.848 1.079 1.00 0.00 H new ATOM 0 HD12 ILE A 76 2.918 -3.361 0.810 1.00 0.00 H new ATOM 0 HD13 ILE A 76 1.593 -2.403 0.107 1.00 0.00 H new ATOM 1021 N GLU A 77 3.792 -4.228 -5.314 1.00 0.00 N ATOM 1022 CA GLU A 77 4.673 -3.742 -6.369 1.00 0.00 C ATOM 1023 C GLU A 77 4.279 -2.332 -6.801 1.00 0.00 C ATOM 1024 O GLU A 77 3.311 -2.145 -7.539 1.00 0.00 O ATOM 1025 CB GLU A 77 4.632 -4.686 -7.573 1.00 0.00 C ATOM 1026 CG GLU A 77 5.566 -5.877 -7.445 1.00 0.00 C ATOM 1027 CD GLU A 77 6.952 -5.593 -7.991 1.00 0.00 C ATOM 1028 OE1 GLU A 77 7.081 -4.680 -8.834 1.00 0.00 O ATOM 1029 OE2 GLU A 77 7.906 -6.283 -7.577 1.00 0.00 O ATOM 0 H GLU A 77 2.874 -4.533 -5.637 1.00 0.00 H new ATOM 0 HA GLU A 77 5.688 -3.712 -5.974 1.00 0.00 H new ATOM 0 HB2 GLU A 77 3.612 -5.047 -7.706 1.00 0.00 H new ATOM 0 HB3 GLU A 77 4.892 -4.126 -8.472 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.644 -6.161 -6.396 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.138 -6.728 -7.975 1.00 0.00 H new ATOM 1036 N CYS A 78 5.034 -1.345 -6.334 1.00 0.00 N ATOM 1037 CA CYS A 78 4.764 0.049 -6.669 1.00 0.00 C ATOM 1038 C CYS A 78 5.786 0.575 -7.671 1.00 0.00 C ATOM 1039 O CYS A 78 6.982 0.633 -7.382 1.00 0.00 O ATOM 1040 CB CYS A 78 4.779 0.911 -5.406 1.00 0.00 C ATOM 1041 SG CYS A 78 6.339 0.855 -4.492 1.00 0.00 S ATOM 0 H CYS A 78 5.838 -1.483 -5.722 1.00 0.00 H new ATOM 0 HA CYS A 78 3.775 0.103 -7.124 1.00 0.00 H new ATOM 0 HB2 CYS A 78 4.569 1.944 -5.682 1.00 0.00 H new ATOM 0 HB3 CYS A 78 3.973 0.586 -4.748 1.00 0.00 H new ATOM 0 HG CYS A 78 7.327 0.731 -5.327 1.00 0.00 H new ATOM 1047 N SER A 79 5.308 0.956 -8.851 1.00 0.00 N ATOM 1048 CA SER A 79 6.182 1.472 -9.899 1.00 0.00 C ATOM 1049 C SER A 79 5.562 2.696 -10.568 1.00 0.00 C ATOM 1050 O SER A 79 4.343 2.791 -10.707 1.00 0.00 O ATOM 1051 CB SER A 79 6.455 0.389 -10.944 1.00 0.00 C ATOM 1052 OG SER A 79 7.064 0.938 -12.100 1.00 0.00 O ATOM 0 H SER A 79 4.321 0.917 -9.106 1.00 0.00 H new ATOM 0 HA SER A 79 7.125 1.768 -9.439 1.00 0.00 H new ATOM 0 HB2 SER A 79 7.102 -0.378 -10.517 1.00 0.00 H new ATOM 0 HB3 SER A 79 5.520 -0.100 -11.219 1.00 0.00 H new ATOM 0 HG SER A 79 7.230 0.226 -12.752 1.00 0.00 H new ATOM 1058 N ASP A 80 6.412 3.629 -10.982 1.00 0.00 N ATOM 1059 CA ASP A 80 5.950 4.847 -11.638 1.00 0.00 C ATOM 1060 C ASP A 80 5.533 4.564 -13.078 1.00 0.00 C ATOM 1061 O ASP A 80 6.059 3.656 -13.720 1.00 0.00 O ATOM 1062 CB ASP A 80 7.047 5.913 -11.612 1.00 0.00 C ATOM 1063 CG ASP A 80 8.394 5.368 -12.044 1.00 0.00 C ATOM 1064 OD1 ASP A 80 8.954 4.523 -11.314 1.00 0.00 O ATOM 1065 OD2 ASP A 80 8.888 5.787 -13.111 1.00 0.00 O ATOM 0 H ASP A 80 7.424 3.565 -10.875 1.00 0.00 H new ATOM 0 HA ASP A 80 5.081 5.217 -11.093 1.00 0.00 H new ATOM 0 HB2 ASP A 80 6.765 6.737 -12.267 1.00 0.00 H new ATOM 0 HB3 ASP A 80 7.129 6.321 -10.605 1.00 0.00 H new ATOM 1070 N ASN A 81 4.583 5.347 -13.578 1.00 0.00 N ATOM 1071 CA ASN A 81 4.093 5.179 -14.942 1.00 0.00 C ATOM 1072 C ASN A 81 4.765 6.170 -15.887 1.00 0.00 C ATOM 1073 O ASN A 81 5.132 5.824 -17.008 1.00 0.00 O ATOM 1074 CB ASN A 81 2.575 5.362 -14.987 1.00 0.00 C ATOM 1075 CG ASN A 81 1.840 4.301 -14.191 1.00 0.00 C ATOM 1076 OD1 ASN A 81 1.955 3.108 -14.473 1.00 0.00 O ATOM 1077 ND2 ASN A 81 1.080 4.732 -13.191 1.00 0.00 N ATOM 0 H ASN A 81 4.137 6.104 -13.060 1.00 0.00 H new ATOM 0 HA ASN A 81 4.340 4.169 -15.269 1.00 0.00 H new ATOM 0 HB2 ASN A 81 2.319 6.347 -14.597 1.00 0.00 H new ATOM 0 HB3 ASN A 81 2.239 5.332 -16.023 1.00 0.00 H new ATOM 0 HD21 ASN A 81 0.561 4.064 -12.620 1.00 0.00 H new ATOM 0 HD22 ASN A 81 1.015 5.731 -12.994 1.00 0.00 H new ATOM 1084 N GLY A 82 4.922 7.407 -15.424 1.00 0.00 N ATOM 1085 CA GLY A 82 5.550 8.430 -16.240 1.00 0.00 C ATOM 1086 C GLY A 82 4.592 9.545 -16.610 1.00 0.00 C ATOM 1087 O GLY A 82 5.013 10.673 -16.868 1.00 0.00 O ATOM 0 H GLY A 82 4.626 7.718 -14.499 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.400 8.849 -15.701 1.00 0.00 H new ATOM 0 HA3 GLY A 82 5.942 7.975 -17.150 1.00 0.00 H new ATOM 1091 N ASP A 83 3.302 9.230 -16.637 1.00 0.00 N ATOM 1092 CA ASP A 83 2.282 10.214 -16.978 1.00 0.00 C ATOM 1093 C ASP A 83 1.787 10.939 -15.731 1.00 0.00 C ATOM 1094 O ASP A 83 0.727 11.564 -15.743 1.00 0.00 O ATOM 1095 CB ASP A 83 1.109 9.538 -17.690 1.00 0.00 C ATOM 1096 CG ASP A 83 0.239 10.528 -18.440 1.00 0.00 C ATOM 1097 OD1 ASP A 83 0.555 10.827 -19.610 1.00 0.00 O ATOM 1098 OD2 ASP A 83 -0.758 11.003 -17.857 1.00 0.00 O ATOM 0 H ASP A 83 2.938 8.301 -16.427 1.00 0.00 H new ATOM 0 HA ASP A 83 2.730 10.948 -17.648 1.00 0.00 H new ATOM 0 HB2 ASP A 83 1.492 8.793 -18.388 1.00 0.00 H new ATOM 0 HB3 ASP A 83 0.501 9.006 -16.958 1.00 0.00 H new ATOM 1103 N GLY A 84 2.561 10.850 -14.654 1.00 0.00 N ATOM 1104 CA GLY A 84 2.184 11.501 -13.413 1.00 0.00 C ATOM 1105 C GLY A 84 1.264 10.645 -12.566 1.00 0.00 C ATOM 1106 O GLY A 84 0.522 11.159 -11.728 1.00 0.00 O ATOM 0 H GLY A 84 3.443 10.338 -14.619 1.00 0.00 H new ATOM 0 HA2 GLY A 84 3.082 11.737 -12.843 1.00 0.00 H new ATOM 0 HA3 GLY A 84 1.691 12.447 -13.638 1.00 0.00 H new ATOM 1110 N THR A 85 1.309 9.334 -12.784 1.00 0.00 N ATOM 1111 CA THR A 85 0.471 8.405 -12.036 1.00 0.00 C ATOM 1112 C THR A 85 1.301 7.275 -11.438 1.00 0.00 C ATOM 1113 O THR A 85 2.470 7.102 -11.783 1.00 0.00 O ATOM 1114 CB THR A 85 -0.631 7.802 -12.927 1.00 0.00 C ATOM 1115 OG1 THR A 85 -0.065 7.329 -14.154 1.00 0.00 O ATOM 1116 CG2 THR A 85 -1.711 8.831 -13.225 1.00 0.00 C ATOM 0 H THR A 85 1.917 8.892 -13.473 1.00 0.00 H new ATOM 0 HA THR A 85 0.006 8.975 -11.231 1.00 0.00 H new ATOM 0 HB THR A 85 -1.084 6.968 -12.391 1.00 0.00 H new ATOM 0 HG1 THR A 85 -0.772 6.946 -14.714 1.00 0.00 H new ATOM 0 HG21 THR A 85 -2.478 8.381 -13.856 1.00 0.00 H new ATOM 0 HG22 THR A 85 -2.161 9.167 -12.291 1.00 0.00 H new ATOM 0 HG23 THR A 85 -1.269 9.683 -13.742 1.00 0.00 H new ATOM 1124 N CYS A 86 0.689 6.509 -10.542 1.00 0.00 N ATOM 1125 CA CYS A 86 1.373 5.394 -9.895 1.00 0.00 C ATOM 1126 C CYS A 86 0.648 4.080 -10.168 1.00 0.00 C ATOM 1127 O CYS A 86 -0.561 3.973 -9.963 1.00 0.00 O ATOM 1128 CB CYS A 86 1.470 5.634 -8.388 1.00 0.00 C ATOM 1129 SG CYS A 86 2.358 7.143 -7.936 1.00 0.00 S ATOM 0 H CYS A 86 -0.279 6.639 -10.247 1.00 0.00 H new ATOM 0 HA CYS A 86 2.379 5.326 -10.310 1.00 0.00 H new ATOM 0 HB2 CYS A 86 0.463 5.680 -7.973 1.00 0.00 H new ATOM 0 HB3 CYS A 86 1.967 4.781 -7.926 1.00 0.00 H new ATOM 0 HG CYS A 86 2.385 7.259 -6.642 1.00 0.00 H new ATOM 1135 N SER A 87 1.395 3.084 -10.633 1.00 0.00 N ATOM 1136 CA SER A 87 0.823 1.778 -10.940 1.00 0.00 C ATOM 1137 C SER A 87 1.221 0.750 -9.886 1.00 0.00 C ATOM 1138 O SER A 87 2.179 -0.002 -10.066 1.00 0.00 O ATOM 1139 CB SER A 87 1.278 1.310 -12.323 1.00 0.00 C ATOM 1140 OG SER A 87 2.646 1.613 -12.539 1.00 0.00 O ATOM 0 H SER A 87 2.398 3.156 -10.805 1.00 0.00 H new ATOM 0 HA SER A 87 -0.263 1.875 -10.937 1.00 0.00 H new ATOM 0 HB2 SER A 87 1.121 0.235 -12.417 1.00 0.00 H new ATOM 0 HB3 SER A 87 0.670 1.789 -13.091 1.00 0.00 H new ATOM 0 HG SER A 87 2.757 2.011 -13.428 1.00 0.00 H new ATOM 1146 N VAL A 88 0.478 0.723 -8.784 1.00 0.00 N ATOM 1147 CA VAL A 88 0.752 -0.214 -7.700 1.00 0.00 C ATOM 1148 C VAL A 88 -0.102 -1.470 -7.831 1.00 0.00 C ATOM 1149 O VAL A 88 -1.327 -1.393 -7.925 1.00 0.00 O ATOM 1150 CB VAL A 88 0.493 0.429 -6.324 1.00 0.00 C ATOM 1151 CG1 VAL A 88 0.738 -0.577 -5.210 1.00 0.00 C ATOM 1152 CG2 VAL A 88 1.364 1.663 -6.141 1.00 0.00 C ATOM 0 H VAL A 88 -0.318 1.339 -8.618 1.00 0.00 H new ATOM 0 HA VAL A 88 1.805 -0.485 -7.774 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.551 0.739 -6.277 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.550 -0.105 -4.246 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.068 -1.428 -5.334 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.772 -0.920 -5.251 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.168 2.105 -5.164 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.415 1.380 -6.208 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.134 2.390 -6.920 1.00 0.00 H new ATOM 1162 N SER A 89 0.553 -2.626 -7.835 1.00 0.00 N ATOM 1163 CA SER A 89 -0.146 -3.900 -7.957 1.00 0.00 C ATOM 1164 C SER A 89 0.197 -4.822 -6.790 1.00 0.00 C ATOM 1165 O SER A 89 1.365 -4.993 -6.442 1.00 0.00 O ATOM 1166 CB SER A 89 0.214 -4.579 -9.280 1.00 0.00 C ATOM 1167 OG SER A 89 1.619 -4.674 -9.439 1.00 0.00 O ATOM 0 H SER A 89 1.567 -2.707 -7.755 1.00 0.00 H new ATOM 0 HA SER A 89 -1.218 -3.701 -7.938 1.00 0.00 H new ATOM 0 HB2 SER A 89 -0.227 -5.575 -9.313 1.00 0.00 H new ATOM 0 HB3 SER A 89 -0.212 -4.015 -10.110 1.00 0.00 H new ATOM 0 HG SER A 89 1.823 -5.113 -10.291 1.00 0.00 H new ATOM 1173 N TYR A 90 -0.830 -5.413 -6.191 1.00 0.00 N ATOM 1174 CA TYR A 90 -0.640 -6.316 -5.061 1.00 0.00 C ATOM 1175 C TYR A 90 -1.181 -7.706 -5.378 1.00 0.00 C ATOM 1176 O TYR A 90 -2.078 -7.863 -6.208 1.00 0.00 O ATOM 1177 CB TYR A 90 -1.330 -5.759 -3.815 1.00 0.00 C ATOM 1178 CG TYR A 90 -2.839 -5.739 -3.917 1.00 0.00 C ATOM 1179 CD1 TYR A 90 -3.505 -4.633 -4.432 1.00 0.00 C ATOM 1180 CD2 TYR A 90 -3.598 -6.824 -3.497 1.00 0.00 C ATOM 1181 CE1 TYR A 90 -4.883 -4.610 -4.526 1.00 0.00 C ATOM 1182 CE2 TYR A 90 -4.976 -6.809 -3.589 1.00 0.00 C ATOM 1183 CZ TYR A 90 -5.614 -5.700 -4.104 1.00 0.00 C ATOM 1184 OH TYR A 90 -6.987 -5.681 -4.196 1.00 0.00 O ATOM 0 H TYR A 90 -1.803 -5.284 -6.468 1.00 0.00 H new ATOM 0 HA TYR A 90 0.430 -6.398 -4.869 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -1.040 -6.357 -2.951 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -0.973 -4.745 -3.635 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -2.936 -3.777 -4.764 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -3.102 -7.694 -3.092 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -5.385 -3.742 -4.928 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -5.551 -7.662 -3.259 1.00 0.00 H new ATOM 0 HH TYR A 90 -7.295 -4.756 -4.299 1.00 0.00 H new ATOM 1194 N LEU A 91 -0.630 -8.714 -4.711 1.00 0.00 N ATOM 1195 CA LEU A 91 -1.057 -10.094 -4.919 1.00 0.00 C ATOM 1196 C LEU A 91 -1.395 -10.766 -3.592 1.00 0.00 C ATOM 1197 O LEU A 91 -0.515 -11.153 -2.823 1.00 0.00 O ATOM 1198 CB LEU A 91 0.037 -10.883 -5.640 1.00 0.00 C ATOM 1199 CG LEU A 91 -0.042 -10.900 -7.167 1.00 0.00 C ATOM 1200 CD1 LEU A 91 1.347 -11.036 -7.772 1.00 0.00 C ATOM 1201 CD2 LEU A 91 -0.946 -12.029 -7.641 1.00 0.00 C ATOM 0 H LEU A 91 0.113 -8.602 -4.022 1.00 0.00 H new ATOM 0 HA LEU A 91 -1.955 -10.082 -5.537 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.004 -10.472 -5.351 1.00 0.00 H new ATOM 0 HB3 LEU A 91 0.009 -11.913 -5.283 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.470 -9.955 -7.501 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.271 -11.046 -8.859 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.964 -10.194 -7.459 1.00 0.00 H new ATOM 0 HD13 LEU A 91 1.803 -11.966 -7.431 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.991 -12.026 -8.730 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.547 -12.983 -7.297 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.948 -11.887 -7.236 1.00 0.00 H new ATOM 1213 N PRO A 92 -2.699 -10.910 -3.317 1.00 0.00 N ATOM 1214 CA PRO A 92 -3.184 -11.538 -2.084 1.00 0.00 C ATOM 1215 C PRO A 92 -2.910 -13.038 -2.051 1.00 0.00 C ATOM 1216 O PRO A 92 -2.452 -13.618 -3.036 1.00 0.00 O ATOM 1217 CB PRO A 92 -4.690 -11.270 -2.117 1.00 0.00 C ATOM 1218 CG PRO A 92 -5.014 -11.106 -3.562 1.00 0.00 C ATOM 1219 CD PRO A 92 -3.803 -10.472 -4.188 1.00 0.00 C ATOM 0 HA PRO A 92 -2.686 -11.139 -1.200 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -5.249 -12.096 -1.677 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -4.945 -10.375 -1.550 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -5.234 -12.068 -4.024 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -5.896 -10.479 -3.696 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -3.661 -10.806 -5.216 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -3.887 -9.386 -4.215 1.00 0.00 H new ATOM 1227 N THR A 93 -3.195 -13.662 -0.913 1.00 0.00 N ATOM 1228 CA THR A 93 -2.979 -15.095 -0.752 1.00 0.00 C ATOM 1229 C THR A 93 -4.274 -15.807 -0.379 1.00 0.00 C ATOM 1230 O THR A 93 -4.471 -16.976 -0.714 1.00 0.00 O ATOM 1231 CB THR A 93 -1.918 -15.385 0.327 1.00 0.00 C ATOM 1232 OG1 THR A 93 -1.707 -16.797 0.438 1.00 0.00 O ATOM 1233 CG2 THR A 93 -2.348 -14.824 1.674 1.00 0.00 C ATOM 0 H THR A 93 -3.576 -13.198 -0.089 1.00 0.00 H new ATOM 0 HA THR A 93 -2.624 -15.471 -1.711 1.00 0.00 H new ATOM 0 HB THR A 93 -0.988 -14.901 0.030 1.00 0.00 H new ATOM 0 HG1 THR A 93 -1.030 -16.974 1.125 1.00 0.00 H new ATOM 0 HG21 THR A 93 -1.583 -15.041 2.420 1.00 0.00 H new ATOM 0 HG22 THR A 93 -2.480 -13.745 1.593 1.00 0.00 H new ATOM 0 HG23 THR A 93 -3.289 -15.283 1.976 1.00 0.00 H new ATOM 1241 N LYS A 94 -5.156 -15.097 0.315 1.00 0.00 N ATOM 1242 CA LYS A 94 -6.435 -15.660 0.732 1.00 0.00 C ATOM 1243 C LYS A 94 -7.543 -14.615 0.651 1.00 0.00 C ATOM 1244 O LYS A 94 -7.321 -13.422 0.862 1.00 0.00 O ATOM 1245 CB LYS A 94 -6.335 -16.203 2.160 1.00 0.00 C ATOM 1246 CG LYS A 94 -5.253 -17.254 2.337 1.00 0.00 C ATOM 1247 CD LYS A 94 -4.791 -17.341 3.781 1.00 0.00 C ATOM 1248 CE LYS A 94 -3.691 -18.377 3.953 1.00 0.00 C ATOM 1249 NZ LYS A 94 -3.143 -18.380 5.338 1.00 0.00 N ATOM 0 H LYS A 94 -5.009 -14.129 0.601 1.00 0.00 H new ATOM 0 HA LYS A 94 -6.681 -16.478 0.055 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -6.140 -15.375 2.842 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -7.296 -16.631 2.445 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -5.631 -18.225 2.016 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.404 -17.015 1.696 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -4.428 -16.366 4.107 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -5.636 -17.597 4.420 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -4.083 -19.366 3.716 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -2.887 -18.174 3.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -2.396 -19.100 5.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -2.746 -17.444 5.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -3.904 -18.599 6.012 1.00 0.00 H new ATOM 1263 N PRO A 95 -8.765 -15.070 0.339 1.00 0.00 N ATOM 1264 CA PRO A 95 -9.932 -14.190 0.225 1.00 0.00 C ATOM 1265 C PRO A 95 -10.375 -13.637 1.575 1.00 0.00 C ATOM 1266 O PRO A 95 -10.976 -14.346 2.381 1.00 0.00 O ATOM 1267 CB PRO A 95 -11.011 -15.106 -0.358 1.00 0.00 C ATOM 1268 CG PRO A 95 -10.606 -16.479 0.054 1.00 0.00 C ATOM 1269 CD PRO A 95 -9.103 -16.479 0.074 1.00 0.00 C ATOM 0 HA PRO A 95 -9.723 -13.312 -0.386 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -11.998 -14.852 0.029 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -11.062 -15.017 -1.443 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -11.009 -16.727 1.036 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -10.987 -17.224 -0.644 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -8.711 -17.139 0.848 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -8.689 -16.820 -0.875 1.00 0.00 H new ATOM 1277 N GLY A 96 -10.075 -12.364 1.815 1.00 0.00 N ATOM 1278 CA GLY A 96 -10.451 -11.737 3.069 1.00 0.00 C ATOM 1279 C GLY A 96 -10.680 -10.246 2.926 1.00 0.00 C ATOM 1280 O GLY A 96 -11.557 -9.816 2.178 1.00 0.00 O ATOM 0 H GLY A 96 -9.579 -11.756 1.164 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -11.359 -12.206 3.448 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -9.669 -11.912 3.808 1.00 0.00 H new ATOM 1284 N GLU A 97 -9.891 -9.455 3.647 1.00 0.00 N ATOM 1285 CA GLU A 97 -10.015 -8.003 3.598 1.00 0.00 C ATOM 1286 C GLU A 97 -8.644 -7.337 3.680 1.00 0.00 C ATOM 1287 O GLU A 97 -7.867 -7.603 4.597 1.00 0.00 O ATOM 1288 CB GLU A 97 -10.905 -7.506 4.739 1.00 0.00 C ATOM 1289 CG GLU A 97 -12.385 -7.767 4.515 1.00 0.00 C ATOM 1290 CD GLU A 97 -13.168 -7.834 5.811 1.00 0.00 C ATOM 1291 OE1 GLU A 97 -13.067 -6.883 6.614 1.00 0.00 O ATOM 1292 OE2 GLU A 97 -13.882 -8.836 6.023 1.00 0.00 O ATOM 0 H GLU A 97 -9.160 -9.795 4.271 1.00 0.00 H new ATOM 0 HA GLU A 97 -10.474 -7.735 2.646 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -10.596 -7.989 5.666 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -10.749 -6.435 4.870 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -12.798 -6.979 3.886 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -12.507 -8.704 3.972 1.00 0.00 H new ATOM 1299 N TYR A 98 -8.355 -6.471 2.715 1.00 0.00 N ATOM 1300 CA TYR A 98 -7.078 -5.769 2.675 1.00 0.00 C ATOM 1301 C TYR A 98 -7.285 -4.258 2.725 1.00 0.00 C ATOM 1302 O TYR A 98 -7.966 -3.685 1.874 1.00 0.00 O ATOM 1303 CB TYR A 98 -6.303 -6.148 1.413 1.00 0.00 C ATOM 1304 CG TYR A 98 -6.029 -7.630 1.292 1.00 0.00 C ATOM 1305 CD1 TYR A 98 -6.936 -8.476 0.666 1.00 0.00 C ATOM 1306 CD2 TYR A 98 -4.863 -8.185 1.805 1.00 0.00 C ATOM 1307 CE1 TYR A 98 -6.691 -9.830 0.554 1.00 0.00 C ATOM 1308 CE2 TYR A 98 -4.608 -9.539 1.697 1.00 0.00 C ATOM 1309 CZ TYR A 98 -5.525 -10.357 1.071 1.00 0.00 C ATOM 1310 OH TYR A 98 -5.276 -11.706 0.962 1.00 0.00 O ATOM 0 H TYR A 98 -8.988 -6.238 1.950 1.00 0.00 H new ATOM 0 HA TYR A 98 -6.501 -6.067 3.550 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -6.865 -5.819 0.539 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -5.355 -5.610 1.404 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -7.849 -8.067 0.260 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -4.143 -7.547 2.297 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -7.408 -10.473 0.065 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -3.696 -9.954 2.100 1.00 0.00 H new ATOM 0 HH TYR A 98 -4.878 -12.033 1.795 1.00 0.00 H new ATOM 1320 N PHE A 99 -6.692 -3.618 3.727 1.00 0.00 N ATOM 1321 CA PHE A 99 -6.810 -2.174 3.889 1.00 0.00 C ATOM 1322 C PHE A 99 -5.571 -1.463 3.353 1.00 0.00 C ATOM 1323 O PHE A 99 -4.531 -1.424 4.011 1.00 0.00 O ATOM 1324 CB PHE A 99 -7.018 -1.820 5.362 1.00 0.00 C ATOM 1325 CG PHE A 99 -8.323 -2.313 5.919 1.00 0.00 C ATOM 1326 CD1 PHE A 99 -8.602 -3.669 5.971 1.00 0.00 C ATOM 1327 CD2 PHE A 99 -9.272 -1.419 6.390 1.00 0.00 C ATOM 1328 CE1 PHE A 99 -9.802 -4.125 6.482 1.00 0.00 C ATOM 1329 CE2 PHE A 99 -10.474 -1.869 6.902 1.00 0.00 C ATOM 1330 CZ PHE A 99 -10.739 -3.224 6.949 1.00 0.00 C ATOM 0 H PHE A 99 -6.124 -4.077 4.439 1.00 0.00 H new ATOM 0 HA PHE A 99 -7.675 -1.839 3.317 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -6.200 -2.241 5.947 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -6.969 -0.737 5.478 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -7.873 -4.378 5.608 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -9.070 -0.359 6.356 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -10.007 -5.185 6.516 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -11.205 -1.162 7.265 1.00 0.00 H new ATOM 0 HZ PHE A 99 -11.677 -3.578 7.350 1.00 0.00 H new ATOM 1340 N VAL A 100 -5.689 -0.902 2.154 1.00 0.00 N ATOM 1341 CA VAL A 100 -4.580 -0.192 1.529 1.00 0.00 C ATOM 1342 C VAL A 100 -4.375 1.177 2.167 1.00 0.00 C ATOM 1343 O VAL A 100 -5.123 2.116 1.898 1.00 0.00 O ATOM 1344 CB VAL A 100 -4.809 -0.013 0.016 1.00 0.00 C ATOM 1345 CG1 VAL A 100 -3.607 0.660 -0.630 1.00 0.00 C ATOM 1346 CG2 VAL A 100 -5.096 -1.354 -0.641 1.00 0.00 C ATOM 0 H VAL A 100 -6.542 -0.926 1.596 1.00 0.00 H new ATOM 0 HA VAL A 100 -3.688 -0.799 1.684 1.00 0.00 H new ATOM 0 HB VAL A 100 -5.677 0.630 -0.129 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.787 0.778 -1.699 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.452 1.640 -0.178 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -2.720 0.045 -0.477 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -5.255 -1.209 -1.710 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -4.249 -2.023 -0.488 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.990 -1.793 -0.197 1.00 0.00 H new ATOM 1356 N ASN A 101 -3.356 1.284 3.013 1.00 0.00 N ATOM 1357 CA ASN A 101 -3.052 2.540 3.690 1.00 0.00 C ATOM 1358 C ASN A 101 -2.291 3.486 2.765 1.00 0.00 C ATOM 1359 O ASN A 101 -1.103 3.294 2.506 1.00 0.00 O ATOM 1360 CB ASN A 101 -2.233 2.276 4.954 1.00 0.00 C ATOM 1361 CG ASN A 101 -2.994 1.453 5.976 1.00 0.00 C ATOM 1362 OD1 ASN A 101 -3.486 1.982 6.973 1.00 0.00 O ATOM 1363 ND2 ASN A 101 -3.094 0.152 5.731 1.00 0.00 N ATOM 0 H ASN A 101 -2.726 0.516 3.246 1.00 0.00 H new ATOM 0 HA ASN A 101 -3.994 3.012 3.968 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -1.313 1.756 4.685 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -1.943 3.227 5.401 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -3.595 -0.453 6.382 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -2.670 -0.243 4.891 1.00 0.00 H new ATOM 1370 N ILE A 102 -2.985 4.506 2.272 1.00 0.00 N ATOM 1371 CA ILE A 102 -2.374 5.483 1.378 1.00 0.00 C ATOM 1372 C ILE A 102 -2.120 6.803 2.098 1.00 0.00 C ATOM 1373 O ILE A 102 -3.056 7.522 2.449 1.00 0.00 O ATOM 1374 CB ILE A 102 -3.257 5.745 0.144 1.00 0.00 C ATOM 1375 CG1 ILE A 102 -3.631 4.425 -0.533 1.00 0.00 C ATOM 1376 CG2 ILE A 102 -2.540 6.664 -0.834 1.00 0.00 C ATOM 1377 CD1 ILE A 102 -4.816 4.539 -1.467 1.00 0.00 C ATOM 0 H ILE A 102 -3.970 4.678 2.476 1.00 0.00 H new ATOM 0 HA ILE A 102 -1.423 5.062 1.051 1.00 0.00 H new ATOM 0 HB ILE A 102 -4.174 6.237 0.469 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -2.771 4.057 -1.093 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -3.853 3.683 0.234 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -3.176 6.840 -1.701 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -2.320 7.614 -0.346 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -1.609 6.197 -1.156 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -5.024 3.566 -1.911 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -5.689 4.877 -0.908 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -4.590 5.257 -2.256 1.00 0.00 H new ATOM 1389 N LEU A 103 -0.847 7.117 2.313 1.00 0.00 N ATOM 1390 CA LEU A 103 -0.468 8.353 2.990 1.00 0.00 C ATOM 1391 C LEU A 103 0.634 9.077 2.224 1.00 0.00 C ATOM 1392 O LEU A 103 1.644 8.477 1.854 1.00 0.00 O ATOM 1393 CB LEU A 103 -0.003 8.055 4.416 1.00 0.00 C ATOM 1394 CG LEU A 103 0.637 6.684 4.641 1.00 0.00 C ATOM 1395 CD1 LEU A 103 2.139 6.753 4.415 1.00 0.00 C ATOM 1396 CD2 LEU A 103 0.329 6.175 6.041 1.00 0.00 C ATOM 0 H LEU A 103 -0.060 6.533 2.029 1.00 0.00 H new ATOM 0 HA LEU A 103 -1.344 9.001 3.029 1.00 0.00 H new ATOM 0 HB2 LEU A 103 0.714 8.821 4.710 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.860 8.147 5.083 1.00 0.00 H new ATOM 0 HG LEU A 103 0.214 5.984 3.921 1.00 0.00 H new ATOM 0 HD11 LEU A 103 2.577 5.769 4.580 1.00 0.00 H new ATOM 0 HD12 LEU A 103 2.339 7.073 3.392 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.579 7.467 5.111 1.00 0.00 H new ATOM 0 HD21 LEU A 103 0.792 5.199 6.183 1.00 0.00 H new ATOM 0 HD22 LEU A 103 0.724 6.875 6.778 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -0.750 6.086 6.167 1.00 0.00 H new ATOM 1408 N PHE A 104 0.435 10.370 1.990 1.00 0.00 N ATOM 1409 CA PHE A 104 1.413 11.176 1.270 1.00 0.00 C ATOM 1410 C PHE A 104 2.258 12.000 2.237 1.00 0.00 C ATOM 1411 O PHE A 104 1.756 12.912 2.893 1.00 0.00 O ATOM 1412 CB PHE A 104 0.709 12.101 0.275 1.00 0.00 C ATOM 1413 CG PHE A 104 1.600 12.577 -0.836 1.00 0.00 C ATOM 1414 CD1 PHE A 104 2.270 11.670 -1.641 1.00 0.00 C ATOM 1415 CD2 PHE A 104 1.769 13.932 -1.075 1.00 0.00 C ATOM 1416 CE1 PHE A 104 3.092 12.105 -2.664 1.00 0.00 C ATOM 1417 CE2 PHE A 104 2.589 14.372 -2.097 1.00 0.00 C ATOM 1418 CZ PHE A 104 3.252 13.458 -2.892 1.00 0.00 C ATOM 0 H PHE A 104 -0.395 10.882 2.289 1.00 0.00 H new ATOM 0 HA PHE A 104 2.072 10.500 0.725 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -0.145 11.577 -0.154 1.00 0.00 H new ATOM 0 HB3 PHE A 104 0.316 12.965 0.810 1.00 0.00 H new ATOM 0 HD1 PHE A 104 2.149 10.611 -1.467 1.00 0.00 H new ATOM 0 HD2 PHE A 104 1.254 14.652 -0.456 1.00 0.00 H new ATOM 0 HE1 PHE A 104 3.609 11.388 -3.284 1.00 0.00 H new ATOM 0 HE2 PHE A 104 2.711 15.430 -2.274 1.00 0.00 H new ATOM 0 HZ PHE A 104 3.894 13.800 -3.690 1.00 0.00 H new ATOM 1428 N GLU A 105 3.543 11.670 2.320 1.00 0.00 N ATOM 1429 CA GLU A 105 4.457 12.378 3.208 1.00 0.00 C ATOM 1430 C GLU A 105 4.019 12.238 4.664 1.00 0.00 C ATOM 1431 O GLU A 105 4.047 13.203 5.426 1.00 0.00 O ATOM 1432 CB GLU A 105 4.530 13.858 2.827 1.00 0.00 C ATOM 1433 CG GLU A 105 5.288 14.117 1.536 1.00 0.00 C ATOM 1434 CD GLU A 105 5.974 15.470 1.523 1.00 0.00 C ATOM 1435 OE1 GLU A 105 6.261 16.000 2.616 1.00 0.00 O ATOM 1436 OE2 GLU A 105 6.222 15.997 0.419 1.00 0.00 O ATOM 0 H GLU A 105 3.974 10.917 1.783 1.00 0.00 H new ATOM 0 HA GLU A 105 5.446 11.933 3.099 1.00 0.00 H new ATOM 0 HB2 GLU A 105 3.518 14.250 2.729 1.00 0.00 H new ATOM 0 HB3 GLU A 105 5.008 14.410 3.636 1.00 0.00 H new ATOM 0 HG2 GLU A 105 6.033 13.335 1.394 1.00 0.00 H new ATOM 0 HG3 GLU A 105 4.597 14.056 0.695 1.00 0.00 H new ATOM 1443 N GLU A 106 3.616 11.028 5.040 1.00 0.00 N ATOM 1444 CA GLU A 106 3.171 10.762 6.403 1.00 0.00 C ATOM 1445 C GLU A 106 1.802 11.386 6.660 1.00 0.00 C ATOM 1446 O GLU A 106 1.461 11.716 7.796 1.00 0.00 O ATOM 1447 CB GLU A 106 4.188 11.304 7.410 1.00 0.00 C ATOM 1448 CG GLU A 106 5.630 10.996 7.044 1.00 0.00 C ATOM 1449 CD GLU A 106 6.562 11.062 8.238 1.00 0.00 C ATOM 1450 OE1 GLU A 106 6.308 10.347 9.230 1.00 0.00 O ATOM 1451 OE2 GLU A 106 7.545 11.830 8.181 1.00 0.00 O ATOM 0 H GLU A 106 3.589 10.218 4.421 1.00 0.00 H new ATOM 0 HA GLU A 106 3.088 9.682 6.527 1.00 0.00 H new ATOM 0 HB2 GLU A 106 4.065 12.384 7.492 1.00 0.00 H new ATOM 0 HB3 GLU A 106 3.974 10.883 8.392 1.00 0.00 H new ATOM 0 HG2 GLU A 106 5.684 10.002 6.600 1.00 0.00 H new ATOM 0 HG3 GLU A 106 5.967 11.702 6.285 1.00 0.00 H new ATOM 1458 N VAL A 107 1.021 11.545 5.596 1.00 0.00 N ATOM 1459 CA VAL A 107 -0.310 12.129 5.705 1.00 0.00 C ATOM 1460 C VAL A 107 -1.359 11.230 5.058 1.00 0.00 C ATOM 1461 O VAL A 107 -1.366 11.043 3.841 1.00 0.00 O ATOM 1462 CB VAL A 107 -0.369 13.521 5.050 1.00 0.00 C ATOM 1463 CG1 VAL A 107 -1.655 14.238 5.433 1.00 0.00 C ATOM 1464 CG2 VAL A 107 0.848 14.346 5.443 1.00 0.00 C ATOM 0 H VAL A 107 1.288 11.277 4.649 1.00 0.00 H new ATOM 0 HA VAL A 107 -0.525 12.228 6.769 1.00 0.00 H new ATOM 0 HB VAL A 107 -0.361 13.395 3.967 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -1.679 15.220 4.961 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.511 13.653 5.097 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.698 14.355 6.516 1.00 0.00 H new ATOM 0 HG21 VAL A 107 0.790 15.327 4.971 1.00 0.00 H new ATOM 0 HG22 VAL A 107 0.872 14.465 6.526 1.00 0.00 H new ATOM 0 HG23 VAL A 107 1.754 13.838 5.113 1.00 0.00 H new ATOM 1474 N HIS A 108 -2.244 10.676 5.880 1.00 0.00 N ATOM 1475 CA HIS A 108 -3.299 9.798 5.388 1.00 0.00 C ATOM 1476 C HIS A 108 -4.271 10.563 4.495 1.00 0.00 C ATOM 1477 O HIS A 108 -4.892 11.535 4.928 1.00 0.00 O ATOM 1478 CB HIS A 108 -4.053 9.165 6.558 1.00 0.00 C ATOM 1479 CG HIS A 108 -3.482 7.853 6.999 1.00 0.00 C ATOM 1480 ND1 HIS A 108 -4.108 6.645 6.770 1.00 0.00 N ATOM 1481 CD2 HIS A 108 -2.335 7.562 7.656 1.00 0.00 C ATOM 1482 CE1 HIS A 108 -3.371 5.669 7.270 1.00 0.00 C ATOM 1483 NE2 HIS A 108 -2.290 6.199 7.813 1.00 0.00 N ATOM 0 H HIS A 108 -2.252 10.820 6.890 1.00 0.00 H new ATOM 0 HA HIS A 108 -2.834 9.009 4.796 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -4.046 9.856 7.401 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -5.095 9.021 6.273 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -1.593 8.270 7.994 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -3.612 4.617 7.240 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -1.543 5.680 8.274 1.00 0.00 H new ATOM 1492 N ILE A 109 -4.397 10.120 3.249 1.00 0.00 N ATOM 1493 CA ILE A 109 -5.294 10.764 2.297 1.00 0.00 C ATOM 1494 C ILE A 109 -6.753 10.549 2.684 1.00 0.00 C ATOM 1495 O ILE A 109 -7.114 9.556 3.317 1.00 0.00 O ATOM 1496 CB ILE A 109 -5.071 10.235 0.867 1.00 0.00 C ATOM 1497 CG1 ILE A 109 -5.462 8.759 0.779 1.00 0.00 C ATOM 1498 CG2 ILE A 109 -3.620 10.430 0.451 1.00 0.00 C ATOM 1499 CD1 ILE A 109 -5.952 8.344 -0.591 1.00 0.00 C ATOM 0 H ILE A 109 -3.890 9.318 2.875 1.00 0.00 H new ATOM 0 HA ILE A 109 -5.067 11.830 2.321 1.00 0.00 H new ATOM 0 HB ILE A 109 -5.704 10.800 0.183 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -4.601 8.147 1.049 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -6.242 8.554 1.512 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -3.478 10.052 -0.561 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -3.373 11.491 0.480 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -2.969 9.887 1.136 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -6.211 7.285 -0.579 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -6.832 8.930 -0.856 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -5.166 8.517 -1.326 1.00 0.00 H new ATOM 1511 N PRO A 110 -7.615 11.500 2.295 1.00 0.00 N ATOM 1512 CA PRO A 110 -9.050 11.437 2.588 1.00 0.00 C ATOM 1513 C PRO A 110 -9.754 10.338 1.800 1.00 0.00 C ATOM 1514 O PRO A 110 -10.351 10.596 0.755 1.00 0.00 O ATOM 1515 CB PRO A 110 -9.561 12.815 2.159 1.00 0.00 C ATOM 1516 CG PRO A 110 -8.587 13.276 1.130 1.00 0.00 C ATOM 1517 CD PRO A 110 -7.255 12.711 1.538 1.00 0.00 C ATOM 0 HA PRO A 110 -9.243 11.204 3.635 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -10.570 12.754 1.750 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -9.601 13.503 3.003 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -8.872 12.926 0.138 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -8.552 14.365 1.086 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.637 12.474 0.672 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -6.691 13.415 2.150 1.00 0.00 H new ATOM 1525 N GLY A 111 -9.681 9.112 2.307 1.00 0.00 N ATOM 1526 CA GLY A 111 -10.317 7.992 1.637 1.00 0.00 C ATOM 1527 C GLY A 111 -9.659 6.668 1.969 1.00 0.00 C ATOM 1528 O GLY A 111 -10.213 5.604 1.692 1.00 0.00 O ATOM 0 H GLY A 111 -9.193 8.874 3.170 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -11.369 7.953 1.921 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -10.283 8.151 0.559 1.00 0.00 H new ATOM 1532 N SER A 112 -8.471 6.731 2.564 1.00 0.00 N ATOM 1533 CA SER A 112 -7.734 5.527 2.929 1.00 0.00 C ATOM 1534 C SER A 112 -7.865 5.242 4.422 1.00 0.00 C ATOM 1535 O SER A 112 -8.108 6.137 5.232 1.00 0.00 O ATOM 1536 CB SER A 112 -6.258 5.674 2.554 1.00 0.00 C ATOM 1537 OG SER A 112 -5.508 6.203 3.633 1.00 0.00 O ATOM 0 H SER A 112 -7.999 7.603 2.803 1.00 0.00 H new ATOM 0 HA SER A 112 -8.160 4.689 2.378 1.00 0.00 H new ATOM 0 HB2 SER A 112 -5.854 4.703 2.268 1.00 0.00 H new ATOM 0 HB3 SER A 112 -6.163 6.327 1.686 1.00 0.00 H new ATOM 0 HG SER A 112 -4.693 6.625 3.289 1.00 0.00 H new ATOM 1543 N PRO A 113 -7.701 3.965 4.796 1.00 0.00 N ATOM 1544 CA PRO A 113 -7.412 2.891 3.841 1.00 0.00 C ATOM 1545 C PRO A 113 -8.604 2.577 2.943 1.00 0.00 C ATOM 1546 O PRO A 113 -9.701 3.097 3.148 1.00 0.00 O ATOM 1547 CB PRO A 113 -7.089 1.694 4.739 1.00 0.00 C ATOM 1548 CG PRO A 113 -7.804 1.975 6.016 1.00 0.00 C ATOM 1549 CD PRO A 113 -7.785 3.470 6.180 1.00 0.00 C ATOM 0 HA PRO A 113 -6.605 3.159 3.159 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -7.430 0.760 4.292 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -6.015 1.598 4.899 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -8.827 1.599 5.982 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -7.312 1.484 6.855 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -8.683 3.830 6.682 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -6.933 3.798 6.776 1.00 0.00 H new ATOM 1557 N PHE A 114 -8.382 1.724 1.949 1.00 0.00 N ATOM 1558 CA PHE A 114 -9.439 1.341 1.020 1.00 0.00 C ATOM 1559 C PHE A 114 -9.726 -0.155 1.110 1.00 0.00 C ATOM 1560 O PHE A 114 -9.042 -0.969 0.490 1.00 0.00 O ATOM 1561 CB PHE A 114 -9.046 1.711 -0.412 1.00 0.00 C ATOM 1562 CG PHE A 114 -9.179 3.177 -0.709 1.00 0.00 C ATOM 1563 CD1 PHE A 114 -8.235 4.080 -0.247 1.00 0.00 C ATOM 1564 CD2 PHE A 114 -10.249 3.653 -1.451 1.00 0.00 C ATOM 1565 CE1 PHE A 114 -8.354 5.430 -0.520 1.00 0.00 C ATOM 1566 CE2 PHE A 114 -10.373 5.002 -1.726 1.00 0.00 C ATOM 1567 CZ PHE A 114 -9.425 5.891 -1.259 1.00 0.00 C ATOM 0 H PHE A 114 -7.480 1.285 1.766 1.00 0.00 H new ATOM 0 HA PHE A 114 -10.344 1.884 1.293 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -8.015 1.405 -0.588 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -9.669 1.149 -1.108 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -7.396 3.725 0.333 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -10.994 2.962 -1.818 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -7.610 6.123 -0.156 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -11.211 5.361 -2.306 1.00 0.00 H new ATOM 0 HZ PHE A 114 -9.521 6.945 -1.472 1.00 0.00 H new ATOM 1577 N LYS A 115 -10.744 -0.510 1.887 1.00 0.00 N ATOM 1578 CA LYS A 115 -11.124 -1.907 2.059 1.00 0.00 C ATOM 1579 C LYS A 115 -11.412 -2.563 0.712 1.00 0.00 C ATOM 1580 O LYS A 115 -12.317 -2.145 -0.011 1.00 0.00 O ATOM 1581 CB LYS A 115 -12.354 -2.014 2.964 1.00 0.00 C ATOM 1582 CG LYS A 115 -12.524 -3.383 3.599 1.00 0.00 C ATOM 1583 CD LYS A 115 -13.986 -3.690 3.879 1.00 0.00 C ATOM 1584 CE LYS A 115 -14.506 -2.891 5.064 1.00 0.00 C ATOM 1585 NZ LYS A 115 -15.778 -3.453 5.597 1.00 0.00 N ATOM 0 H LYS A 115 -11.321 0.151 2.408 1.00 0.00 H new ATOM 0 HA LYS A 115 -10.289 -2.430 2.526 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -12.282 -1.264 3.751 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -13.245 -1.780 2.381 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -12.111 -4.145 2.938 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -11.957 -3.427 4.529 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -14.582 -3.462 2.995 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -14.104 -4.755 4.077 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -13.754 -2.881 5.853 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -14.665 -1.856 4.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -16.099 -2.880 6.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -16.503 -3.439 4.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -15.621 -4.433 5.909 1.00 0.00 H new ATOM 1599 N ALA A 116 -10.639 -3.591 0.382 1.00 0.00 N ATOM 1600 CA ALA A 116 -10.813 -4.306 -0.876 1.00 0.00 C ATOM 1601 C ALA A 116 -11.264 -5.743 -0.633 1.00 0.00 C ATOM 1602 O ALA A 116 -10.535 -6.542 -0.046 1.00 0.00 O ATOM 1603 CB ALA A 116 -9.521 -4.285 -1.679 1.00 0.00 C ATOM 0 H ALA A 116 -9.885 -3.948 0.969 1.00 0.00 H new ATOM 0 HA ALA A 116 -11.591 -3.800 -1.448 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -9.666 -4.823 -2.616 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -9.242 -3.253 -1.892 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -8.728 -4.764 -1.105 1.00 0.00 H new ATOM 1609 N ASP A 117 -12.470 -6.064 -1.088 1.00 0.00 N ATOM 1610 CA ASP A 117 -13.019 -7.405 -0.920 1.00 0.00 C ATOM 1611 C ASP A 117 -12.504 -8.342 -2.008 1.00 0.00 C ATOM 1612 O ASP A 117 -12.805 -8.162 -3.189 1.00 0.00 O ATOM 1613 CB ASP A 117 -14.547 -7.361 -0.948 1.00 0.00 C ATOM 1614 CG ASP A 117 -15.158 -8.695 -1.333 1.00 0.00 C ATOM 1615 OD1 ASP A 117 -15.304 -8.951 -2.546 1.00 0.00 O ATOM 1616 OD2 ASP A 117 -15.489 -9.481 -0.421 1.00 0.00 O ATOM 0 H ASP A 117 -13.086 -5.414 -1.576 1.00 0.00 H new ATOM 0 HA ASP A 117 -12.693 -7.786 0.048 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -14.917 -7.065 0.034 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -14.873 -6.598 -1.655 1.00 0.00 H new ATOM 1621 N ILE A 118 -11.727 -9.341 -1.603 1.00 0.00 N ATOM 1622 CA ILE A 118 -11.172 -10.306 -2.544 1.00 0.00 C ATOM 1623 C ILE A 118 -12.029 -11.565 -2.611 1.00 0.00 C ATOM 1624 O ILE A 118 -12.482 -12.074 -1.587 1.00 0.00 O ATOM 1625 CB ILE A 118 -9.732 -10.699 -2.163 1.00 0.00 C ATOM 1626 CG1 ILE A 118 -8.822 -9.469 -2.183 1.00 0.00 C ATOM 1627 CG2 ILE A 118 -9.207 -11.769 -3.109 1.00 0.00 C ATOM 1628 CD1 ILE A 118 -8.806 -8.751 -3.515 1.00 0.00 C ATOM 0 H ILE A 118 -11.468 -9.503 -0.630 1.00 0.00 H new ATOM 0 HA ILE A 118 -11.163 -9.824 -3.521 1.00 0.00 H new ATOM 0 HB ILE A 118 -9.738 -11.107 -1.152 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -9.147 -8.774 -1.409 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -7.806 -9.774 -1.932 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -8.189 -12.036 -2.827 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -9.844 -12.652 -3.049 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -9.212 -11.387 -4.130 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -8.140 -7.890 -3.456 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -8.452 -9.431 -4.290 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -9.814 -8.415 -3.759 1.00 0.00 H new ATOM 1640 N GLU A 119 -12.247 -12.062 -3.825 1.00 0.00 N ATOM 1641 CA GLU A 119 -13.050 -13.263 -4.025 1.00 0.00 C ATOM 1642 C GLU A 119 -12.212 -14.381 -4.639 1.00 0.00 C ATOM 1643 O GLU A 119 -11.110 -14.145 -5.134 1.00 0.00 O ATOM 1644 CB GLU A 119 -14.250 -12.957 -4.923 1.00 0.00 C ATOM 1645 CG GLU A 119 -15.178 -11.895 -4.358 1.00 0.00 C ATOM 1646 CD GLU A 119 -16.535 -11.887 -5.034 1.00 0.00 C ATOM 1647 OE1 GLU A 119 -16.578 -11.830 -6.281 1.00 0.00 O ATOM 1648 OE2 GLU A 119 -17.556 -11.939 -4.315 1.00 0.00 O ATOM 0 H GLU A 119 -11.879 -11.652 -4.684 1.00 0.00 H new ATOM 0 HA GLU A 119 -13.410 -13.595 -3.051 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -13.889 -12.631 -5.898 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -14.816 -13.874 -5.083 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -15.310 -12.064 -3.289 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -14.714 -10.915 -4.471 1.00 0.00 H new ATOM 1655 N MET A 120 -12.744 -15.598 -4.603 1.00 0.00 N ATOM 1656 CA MET A 120 -12.047 -16.753 -5.157 1.00 0.00 C ATOM 1657 C MET A 120 -12.137 -16.764 -6.679 1.00 0.00 C ATOM 1658 O MET A 120 -13.183 -16.487 -7.265 1.00 0.00 O ATOM 1659 CB MET A 120 -12.631 -18.049 -4.590 1.00 0.00 C ATOM 1660 CG MET A 120 -12.173 -18.354 -3.174 1.00 0.00 C ATOM 1661 SD MET A 120 -12.226 -20.115 -2.791 1.00 0.00 S ATOM 1662 CE MET A 120 -11.672 -20.108 -1.087 1.00 0.00 C ATOM 0 H MET A 120 -13.655 -15.810 -4.196 1.00 0.00 H new ATOM 0 HA MET A 120 -10.997 -16.682 -4.874 1.00 0.00 H new ATOM 0 HB2 MET A 120 -13.719 -17.985 -4.605 1.00 0.00 H new ATOM 0 HB3 MET A 120 -12.352 -18.878 -5.240 1.00 0.00 H new ATOM 0 HG2 MET A 120 -11.156 -17.987 -3.038 1.00 0.00 H new ATOM 0 HG3 MET A 120 -12.803 -17.813 -2.468 1.00 0.00 H new ATOM 0 HE1 MET A 120 -11.651 -21.129 -0.707 1.00 0.00 H new ATOM 0 HE2 MET A 120 -10.671 -19.680 -1.032 1.00 0.00 H new ATOM 0 HE3 MET A 120 -12.356 -19.510 -0.484 1.00 0.00 H new ATOM 1672 N PRO A 121 -11.014 -17.091 -7.337 1.00 0.00 N ATOM 1673 CA PRO A 121 -10.942 -17.146 -8.800 1.00 0.00 C ATOM 1674 C PRO A 121 -11.736 -18.313 -9.377 1.00 0.00 C ATOM 1675 O PRO A 121 -11.802 -19.388 -8.779 1.00 0.00 O ATOM 1676 CB PRO A 121 -9.447 -17.330 -9.074 1.00 0.00 C ATOM 1677 CG PRO A 121 -8.912 -17.976 -7.843 1.00 0.00 C ATOM 1678 CD PRO A 121 -9.730 -17.434 -6.703 1.00 0.00 C ATOM 0 HA PRO A 121 -11.369 -16.256 -9.263 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -9.279 -17.953 -9.953 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -8.959 -16.374 -9.263 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -8.997 -19.061 -7.903 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -7.855 -17.746 -7.709 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -9.857 -18.174 -5.912 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -9.260 -16.561 -6.250 1.00 0.00 H new