USER MOD reduce.3.24.130724 H: found=0, std=0, add=500, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 499 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 41 THR OG1 : rot 132:sc= 1.55 USER MOD Set 1.2: A 43 SER OG : rot 180:sc= 0.946 USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 172:sc= 0.63 (180deg=0.509) USER MOD Single : A 36 SER OG : rot -32:sc= 1.23 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.0135 USER MOD Single : A 47 SER OG : rot -29:sc= 0.539 USER MOD Single : A 51 SER OG : rot 75:sc= 0.833 USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 53 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -169:sc=-0.00114 (180deg=-0.104) USER MOD Single : A 59 ASN : amide:sc= -0.0521 K(o=-0.052,f=-1.4!) USER MOD Single : A 61 SER OG : rot -57:sc= 1.28 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 SER OG : rot -99:sc= 0.669 USER MOD Single : A 77 THR OG1 : rot 73:sc= 0.17 USER MOD Single : A 78 MET CE :methyl 171:sc= 0 (180deg=-0.112) USER MOD Single : A 82 TYR OH : rot -139:sc= 1.18 USER MOD Single : A 84 THR OG1 : rot 74:sc= 0.229 USER MOD ----------------------------------------------------------------- ATOM 397 N ALA A 26 -6.422 7.096 -19.091 1.00 0.00 N0 ATOM 398 CA ALA A 26 -6.557 5.734 -18.586 1.00 0.00 C0 ATOM 399 C ALA A 26 -6.517 5.705 -17.063 1.00 0.00 C0 ATOM 400 O ALA A 26 -7.277 4.976 -16.426 1.00 0.00 O0 ATOM 401 CB ALA A 26 -5.466 4.844 -19.162 1.00 0.00 C0 ATOM 0 HA ALA A 26 -7.527 5.352 -18.905 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.581 3.831 -18.775 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.545 4.829 -20.249 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.489 5.233 -18.875 1.00 0.00 H new ATOM 407 N CYS A 27 -5.623 6.500 -16.485 1.00 0.00 N0 ATOM 408 CA CYS A 27 -5.529 6.621 -15.035 1.00 0.00 C0 ATOM 409 C CYS A 27 -6.779 7.271 -14.455 1.00 0.00 C0 ATOM 410 O CYS A 27 -7.216 6.926 -13.357 1.00 0.00 O0 ATOM 411 CB CYS A 27 -4.303 7.446 -14.642 1.00 0.00 C0 ATOM 412 SG CYS A 27 -2.726 6.620 -14.957 1.00 0.00 S0 ATOM 0 H CYS A 27 -4.952 7.071 -16.999 1.00 0.00 H new ATOM 0 HA CYS A 27 -5.434 5.614 -14.628 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -4.323 8.389 -15.188 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -4.367 7.691 -13.582 1.00 0.00 H new ATOM 0 HG CYS A 27 -1.749 7.397 -14.594 1.00 0.00 H new ATOM 418 N LYS A 28 -7.350 8.212 -15.200 1.00 0.00 N0 ATOM 419 CA LYS A 28 -8.597 8.854 -14.798 1.00 0.00 C0 ATOM 420 C LYS A 28 -9.741 7.850 -14.748 1.00 0.00 C0 ATOM 421 O LYS A 28 -10.636 7.956 -13.908 1.00 0.00 O0 ATOM 422 CB LYS A 28 -8.941 9.998 -15.753 1.00 0.00 C0 ATOM 423 CG LYS A 28 -8.038 11.217 -15.627 1.00 0.00 C0 ATOM 424 CD LYS A 28 -8.433 12.303 -16.615 1.00 0.00 C0 ATOM 425 CE LYS A 28 -7.531 13.522 -16.490 1.00 0.00 C0 ATOM 426 NZ LYS A 28 -7.909 14.595 -17.449 1.00 0.00 N1+ ATOM 0 H LYS A 28 -6.969 8.547 -16.085 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.457 9.260 -13.796 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -8.890 9.628 -16.777 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.972 10.305 -15.576 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.093 11.609 -14.611 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.002 10.924 -15.800 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.378 11.911 -17.630 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.469 12.595 -16.442 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.584 13.910 -15.473 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -6.496 13.227 -16.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.270 15.407 -17.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.834 14.234 -18.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.888 14.895 -17.266 1.00 0.00 H new ATOM 440 N GLU A 29 -9.709 6.877 -15.652 1.00 0.00 N0 ATOM 441 CA GLU A 29 -10.711 5.818 -15.674 1.00 0.00 C0 ATOM 442 C GLU A 29 -10.438 4.777 -14.595 1.00 0.00 C0 ATOM 443 O GLU A 29 -11.358 4.298 -13.935 1.00 0.00 O0 ATOM 444 CB GLU A 29 -10.746 5.145 -17.048 1.00 0.00 C0 ATOM 445 CG GLU A 29 -11.288 6.025 -18.165 1.00 0.00 C0 ATOM 446 CD GLU A 29 -11.266 5.347 -19.507 1.00 0.00 C0 ATOM 447 OE1 GLU A 29 -10.713 4.278 -19.603 1.00 0.00 O0 ATOM 448 OE2 GLU A 29 -11.803 5.899 -20.438 1.00 0.00 O1- ATOM 0 H GLU A 29 -8.999 6.800 -16.380 1.00 0.00 H new ATOM 0 HA GLU A 29 -11.681 6.274 -15.473 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.737 4.827 -17.309 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.357 4.244 -16.983 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -12.311 6.316 -17.927 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.700 6.941 -18.217 1.00 0.00 H new ATOM 455 N ASP A 30 -9.166 4.432 -14.422 1.00 0.00 N0 ATOM 456 CA ASP A 30 -8.776 3.386 -13.484 1.00 0.00 C0 ATOM 457 C ASP A 30 -8.915 3.859 -12.042 1.00 0.00 C0 ATOM 458 O ASP A 30 -9.319 3.096 -11.166 1.00 0.00 O0 ATOM 459 CB ASP A 30 -7.336 2.940 -13.746 1.00 0.00 C0 ATOM 460 CG ASP A 30 -7.187 2.142 -15.035 1.00 0.00 C0 ATOM 461 OD1 ASP A 30 -8.181 1.673 -15.537 1.00 0.00 O0 ATOM 462 OD2 ASP A 30 -6.082 2.011 -15.504 1.00 0.00 O1- ATOM 0 H ASP A 30 -8.387 4.862 -14.920 1.00 0.00 H new ATOM 0 HA ASP A 30 -9.446 2.539 -13.635 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.692 3.818 -13.792 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.990 2.335 -12.908 1.00 0.00 H new ATOM 467 N ILE A 31 -8.576 5.121 -11.804 1.00 0.00 N0 ATOM 468 CA ILE A 31 -8.576 5.672 -10.455 1.00 0.00 C0 ATOM 469 C ILE A 31 -9.811 6.527 -10.209 1.00 0.00 C0 ATOM 470 O ILE A 31 -10.017 7.544 -10.870 1.00 0.00 O0 ATOM 471 CB ILE A 31 -7.311 6.514 -10.206 1.00 0.00 C0 ATOM 472 CG1 ILE A 31 -6.054 5.669 -10.434 1.00 0.00 C0 ATOM 473 CG2 ILE A 31 -7.322 7.089 -8.798 1.00 0.00 C0 ATOM 474 CD1 ILE A 31 -4.769 6.465 -10.406 1.00 0.00 C0 ATOM 0 H ILE A 31 -8.297 5.782 -12.529 1.00 0.00 H new ATOM 0 HA ILE A 31 -8.588 4.831 -9.761 1.00 0.00 H new ATOM 0 HB ILE A 31 -7.302 7.343 -10.914 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -6.006 4.893 -9.670 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -6.137 5.164 -11.397 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -6.421 7.681 -8.640 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -8.200 7.723 -8.671 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -7.354 6.276 -8.073 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -3.924 5.798 -10.575 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -4.794 7.224 -11.188 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.661 6.948 -9.435 1.00 0.00 H new ATOM 486 N PRO A 32 -10.633 6.109 -9.251 1.00 0.00 N0 ATOM 487 CA PRO A 32 -11.829 6.859 -8.886 1.00 0.00 C0 ATOM 488 C PRO A 32 -11.487 8.297 -8.518 1.00 0.00 C0 ATOM 489 O PRO A 32 -10.425 8.569 -7.957 1.00 0.00 O0 ATOM 490 CB PRO A 32 -12.369 6.081 -7.682 1.00 0.00 C0 ATOM 491 CG PRO A 32 -11.876 4.691 -7.893 1.00 0.00 C0 ATOM 492 CD PRO A 32 -10.498 4.866 -8.473 1.00 0.00 C0 ATOM 0 HA PRO A 32 -12.552 6.941 -9.698 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -12.002 6.495 -6.743 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -13.458 6.115 -7.642 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -11.845 4.134 -6.957 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -12.525 4.138 -8.572 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -9.739 4.955 -7.696 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -10.213 4.023 -9.102 1.00 0.00 H new ATOM 500 N SER A 33 -12.392 9.216 -8.836 1.00 0.00 N0 ATOM 501 CA SER A 33 -12.172 10.632 -8.569 1.00 0.00 C0 ATOM 502 C SER A 33 -11.977 10.888 -7.080 1.00 0.00 C0 ATOM 503 O SER A 33 -11.227 11.782 -6.688 1.00 0.00 O0 ATOM 504 CB SER A 33 -13.345 11.448 -9.081 1.00 0.00 C0 ATOM 505 OG SER A 33 -14.509 11.162 -8.356 1.00 0.00 O0 ATOM 0 H SER A 33 -13.286 9.005 -9.280 1.00 0.00 H new ATOM 0 HA SER A 33 -11.264 10.935 -9.090 1.00 0.00 H new ATOM 0 HB2 SER A 33 -13.115 12.511 -9.003 1.00 0.00 H new ATOM 0 HB3 SER A 33 -13.508 11.234 -10.137 1.00 0.00 H new ATOM 0 HG SER A 33 -15.251 11.701 -8.702 1.00 0.00 H new ATOM 511 N GLU A 34 -12.654 10.097 -6.255 1.00 0.00 N0 ATOM 512 CA GLU A 34 -12.486 10.175 -4.809 1.00 0.00 C0 ATOM 513 C GLU A 34 -11.087 9.740 -4.393 1.00 0.00 C0 ATOM 514 O GLU A 34 -10.518 10.269 -3.438 1.00 0.00 O0 ATOM 515 CB GLU A 34 -13.531 9.307 -4.103 1.00 0.00 C0 ATOM 516 CG GLU A 34 -14.958 9.822 -4.220 1.00 0.00 C0 ATOM 517 CD GLU A 34 -15.963 8.917 -3.563 1.00 0.00 C0 ATOM 518 OE1 GLU A 34 -15.594 7.834 -3.175 1.00 0.00 O0 ATOM 519 OE2 GLU A 34 -17.099 9.309 -3.449 1.00 0.00 O1- ATOM 0 H GLU A 34 -13.325 9.394 -6.564 1.00 0.00 H new ATOM 0 HA GLU A 34 -12.625 11.215 -4.513 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -13.487 8.299 -4.515 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -13.270 9.232 -3.047 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -15.019 10.813 -3.769 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -15.213 9.935 -5.274 1.00 0.00 H new ATOM 526 N LYS A 35 -10.534 8.771 -5.117 1.00 0.00 N0 ATOM 527 CA LYS A 35 -9.203 8.257 -4.819 1.00 0.00 C0 ATOM 528 C LYS A 35 -8.121 9.179 -5.365 1.00 0.00 C0 ATOM 529 O LYS A 35 -7.013 9.238 -4.830 1.00 0.00 O0 ATOM 530 CB LYS A 35 -9.032 6.849 -5.392 1.00 0.00 C0 ATOM 531 CG LYS A 35 -9.919 5.794 -4.743 1.00 0.00 C0 ATOM 532 CD LYS A 35 -9.674 5.713 -3.244 1.00 0.00 C0 ATOM 533 CE LYS A 35 -10.639 4.744 -2.577 1.00 0.00 C0 ATOM 534 NZ LYS A 35 -10.465 4.714 -1.099 1.00 0.00 N1+ ATOM 0 H LYS A 35 -10.988 8.326 -5.915 1.00 0.00 H new ATOM 0 HA LYS A 35 -9.098 8.213 -3.735 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -9.244 6.877 -6.461 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -7.990 6.549 -5.281 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.966 6.031 -4.930 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.726 4.823 -5.198 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -8.648 5.394 -3.058 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -9.785 6.703 -2.801 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -11.663 5.030 -2.816 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -10.485 3.743 -2.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -11.226 4.148 -0.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -9.545 4.289 -0.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -10.503 5.684 -0.725 1.00 0.00 H new ATOM 548 N SER A 36 -8.447 9.899 -6.434 1.00 0.00 N0 ATOM 549 CA SER A 36 -7.556 10.919 -6.972 1.00 0.00 C0 ATOM 550 C SER A 36 -7.452 12.112 -6.030 1.00 0.00 C0 ATOM 551 O SER A 36 -6.480 12.866 -6.073 1.00 0.00 O0 ATOM 552 CB SER A 36 -8.049 11.377 -8.331 1.00 0.00 C0 ATOM 553 OG SER A 36 -9.207 12.154 -8.209 1.00 0.00 O0 ATOM 0 H SER A 36 -9.324 9.794 -6.945 1.00 0.00 H new ATOM 0 HA SER A 36 -6.564 10.479 -7.076 1.00 0.00 H new ATOM 0 HB2 SER A 36 -7.270 11.955 -8.829 1.00 0.00 H new ATOM 0 HB3 SER A 36 -8.253 10.510 -8.959 1.00 0.00 H new ATOM 0 HG SER A 36 -9.726 11.848 -7.436 1.00 0.00 H new ATOM 559 N GLU A 37 -8.459 12.277 -5.180 1.00 0.00 N0 ATOM 560 CA GLU A 37 -8.397 13.254 -4.099 1.00 0.00 C0 ATOM 561 C GLU A 37 -7.540 12.747 -2.947 1.00 0.00 C0 ATOM 562 O GLU A 37 -6.799 13.511 -2.329 1.00 0.00 O0 ATOM 563 CB GLU A 37 -9.805 13.582 -3.595 1.00 0.00 C0 ATOM 564 CG GLU A 37 -10.662 14.359 -4.584 1.00 0.00 C0 ATOM 565 CD GLU A 37 -12.054 14.614 -4.078 1.00 0.00 C0 ATOM 566 OE1 GLU A 37 -12.368 14.157 -3.005 1.00 0.00 O0 ATOM 567 OE2 GLU A 37 -12.805 15.266 -4.765 1.00 0.00 O1- ATOM 0 H GLU A 37 -9.329 11.746 -5.219 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.938 14.160 -4.495 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.314 12.651 -3.345 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.723 14.158 -2.673 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.181 15.312 -4.804 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -10.717 13.806 -5.522 1.00 0.00 H new ATOM 574 N GLU A 38 -7.645 11.454 -2.662 1.00 0.00 N0 ATOM 575 CA GLU A 38 -6.825 10.827 -1.631 1.00 0.00 C0 ATOM 576 C GLU A 38 -5.349 10.870 -2.000 1.00 0.00 C0 ATOM 577 O GLU A 38 -4.491 11.080 -1.143 1.00 0.00 O0 ATOM 578 CB GLU A 38 -7.265 9.378 -1.409 1.00 0.00 C0 ATOM 579 CG GLU A 38 -8.623 9.228 -0.739 1.00 0.00 C0 ATOM 580 CD GLU A 38 -8.997 7.794 -0.488 1.00 0.00 C0 ATOM 581 OE1 GLU A 38 -8.140 6.950 -0.591 1.00 0.00 O0 ATOM 582 OE2 GLU A 38 -10.143 7.542 -0.195 1.00 0.00 O1- ATOM 0 H GLU A 38 -8.291 10.818 -3.131 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.963 11.389 -0.707 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.290 8.867 -2.372 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.515 8.873 -0.800 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.617 9.768 0.208 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -9.385 9.692 -1.365 1.00 0.00 H new ATOM 589 N ILE A 39 -5.058 10.667 -3.281 1.00 0.00 N0 ATOM 590 CA ILE A 39 -3.689 10.747 -3.778 1.00 0.00 C0 ATOM 591 C ILE A 39 -3.206 12.191 -3.829 1.00 0.00 C0 ATOM 592 O ILE A 39 -3.795 13.029 -4.511 1.00 0.00 O0 ATOM 593 CB ILE A 39 -3.576 10.118 -5.179 1.00 0.00 C0 ATOM 594 CG1 ILE A 39 -3.902 8.623 -5.120 1.00 0.00 C0 ATOM 595 CG2 ILE A 39 -2.184 10.339 -5.750 1.00 0.00 C0 ATOM 596 CD1 ILE A 39 -4.117 7.992 -6.477 1.00 0.00 C0 ATOM 0 H ILE A 39 -5.753 10.446 -3.994 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.059 10.190 -3.085 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.298 10.603 -5.836 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.089 8.103 -4.612 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.798 8.480 -4.517 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.121 9.888 -6.740 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -1.987 11.408 -5.825 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -1.445 9.879 -5.094 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.343 6.933 -6.354 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.949 8.485 -6.980 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.214 8.103 -7.077 1.00 0.00 H new ATOM 608 N THR A 40 -2.131 12.475 -3.102 1.00 0.00 N0 ATOM 609 CA THR A 40 -1.584 13.825 -3.038 1.00 0.00 C0 ATOM 610 C THR A 40 -0.188 13.884 -3.642 1.00 0.00 C0 ATOM 611 O THR A 40 0.283 14.951 -4.039 1.00 0.00 O0 ATOM 612 CB THR A 40 -1.541 14.337 -1.586 1.00 0.00 C0 ATOM 613 OG1 THR A 40 -0.697 13.485 -0.801 1.00 0.00 O0 ATOM 614 CG2 THR A 40 -2.938 14.353 -0.984 1.00 0.00 C0 ATOM 0 H THR A 40 -1.621 11.787 -2.548 1.00 0.00 H new ATOM 0 HA THR A 40 -2.244 14.468 -3.620 1.00 0.00 H new ATOM 0 HB THR A 40 -1.145 15.352 -1.587 1.00 0.00 H new ATOM 0 HG1 THR A 40 -0.669 13.813 0.122 1.00 0.00 H new ATOM 0 HG21 THR A 40 -2.888 14.718 0.042 1.00 0.00 H new ATOM 0 HG22 THR A 40 -3.580 15.010 -1.571 1.00 0.00 H new ATOM 0 HG23 THR A 40 -3.349 13.343 -0.991 1.00 0.00 H new ATOM 622 N THR A 41 0.471 12.733 -3.710 1.00 0.00 N0 ATOM 623 CA THR A 41 1.822 12.654 -4.252 1.00 0.00 C0 ATOM 624 C THR A 41 1.917 11.600 -5.347 1.00 0.00 C0 ATOM 625 O THR A 41 0.967 10.855 -5.589 1.00 0.00 O0 ATOM 626 CB THR A 41 2.846 12.343 -3.144 1.00 0.00 C0 ATOM 627 OG1 THR A 41 2.632 11.014 -2.652 1.00 0.00 O0 ATOM 628 CG2 THR A 41 2.709 13.333 -1.997 1.00 0.00 C0 ATOM 0 H THR A 41 0.091 11.840 -3.396 1.00 0.00 H new ATOM 0 HA THR A 41 2.053 13.628 -4.683 1.00 0.00 H new ATOM 0 HB THR A 41 3.849 12.426 -3.563 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.488 10.538 -2.612 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.440 13.098 -1.224 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.884 14.344 -2.366 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.705 13.268 -1.578 1.00 0.00 H new ATOM 636 N GLY A 42 3.069 11.540 -6.007 1.00 0.00 N0 ATOM 637 CA GLY A 42 3.319 10.525 -7.022 1.00 0.00 C0 ATOM 638 C GLY A 42 3.667 9.184 -6.389 1.00 0.00 C0 ATOM 639 O GLY A 42 3.413 8.128 -6.968 1.00 0.00 O0 ATOM 0 H GLY A 42 3.845 12.184 -5.856 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.437 10.414 -7.653 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.135 10.847 -7.668 1.00 0.00 H new ATOM 643 N SER A 43 4.251 9.234 -5.196 1.00 0.00 N0 ATOM 644 CA SER A 43 4.490 8.029 -4.410 1.00 0.00 C0 ATOM 645 C SER A 43 3.179 7.406 -3.946 1.00 0.00 C0 ATOM 646 O SER A 43 3.057 6.184 -3.866 1.00 0.00 O0 ATOM 647 CB SER A 43 5.358 8.354 -3.210 1.00 0.00 C0 ATOM 648 OG SER A 43 4.686 9.202 -2.319 1.00 0.00 O0 ATOM 0 H SER A 43 4.567 10.096 -4.752 1.00 0.00 H new ATOM 0 HA SER A 43 5.005 7.308 -5.045 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.638 7.433 -2.699 1.00 0.00 H new ATOM 0 HB3 SER A 43 6.282 8.828 -3.542 1.00 0.00 H new ATOM 0 HG SER A 43 5.265 9.396 -1.553 1.00 0.00 H new ATOM 654 N ALA A 44 2.201 8.253 -3.643 1.00 0.00 N0 ATOM 655 CA ALA A 44 0.859 7.787 -3.318 1.00 0.00 C0 ATOM 656 C ALA A 44 0.167 7.203 -4.542 1.00 0.00 C0 ATOM 657 O ALA A 44 -0.486 6.162 -4.461 1.00 0.00 O0 ATOM 658 CB ALA A 44 0.031 8.923 -2.735 1.00 0.00 C0 ATOM 0 H ALA A 44 2.313 9.266 -3.616 1.00 0.00 H new ATOM 0 HA ALA A 44 0.949 6.997 -2.573 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.969 8.560 -2.497 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.508 9.292 -1.827 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -0.040 9.732 -3.462 1.00 0.00 H new ATOM 664 N TRP A 45 0.313 7.877 -5.677 1.00 0.00 N0 ATOM 665 CA TRP A 45 -0.228 7.383 -6.937 1.00 0.00 C0 ATOM 666 C TRP A 45 0.318 6.000 -7.267 1.00 0.00 C0 ATOM 667 O TRP A 45 -0.430 5.103 -7.653 1.00 0.00 O0 ATOM 668 CB TRP A 45 0.104 8.351 -8.075 1.00 0.00 C0 ATOM 669 CG TRP A 45 -0.302 7.846 -9.427 1.00 0.00 C0 ATOM 670 CD1 TRP A 45 -1.529 7.968 -10.007 1.00 0.00 C0 ATOM 671 CD2 TRP A 45 0.524 7.135 -10.381 1.00 0.00 C0 ATOM 672 NE1 TRP A 45 -1.524 7.382 -11.250 1.00 0.00 N0 ATOM 673 CE2 TRP A 45 -0.276 6.869 -11.494 1.00 0.00 C0 ATOM 674 CE3 TRP A 45 1.859 6.710 -10.376 1.00 0.00 C0 ATOM 675 CZ2 TRP A 45 0.211 6.192 -12.602 1.00 0.00 C0 ATOM 676 CZ3 TRP A 45 2.346 6.032 -11.488 1.00 0.00 C0 ATOM 677 CH2 TRP A 45 1.544 5.781 -12.571 1.00 0.00 C0 ATOM 0 H TRP A 45 0.803 8.769 -5.750 1.00 0.00 H new ATOM 0 HA TRP A 45 -1.310 7.311 -6.828 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -0.392 9.303 -7.888 1.00 0.00 H new ATOM 0 HB3 TRP A 45 1.177 8.545 -8.075 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -2.381 8.454 -9.556 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -2.319 7.336 -11.887 1.00 0.00 H new ATOM 0 HE3 TRP A 45 2.496 6.905 -9.526 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -0.418 5.991 -13.457 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 3.373 5.698 -11.499 1.00 0.00 H new ATOM 0 HH2 TRP A 45 1.953 5.253 -13.420 1.00 0.00 H new ATOM 688 N PHE A 46 1.627 5.834 -7.111 1.00 0.00 N0 ATOM 689 CA PHE A 46 2.269 4.548 -7.353 1.00 0.00 C0 ATOM 690 C PHE A 46 1.744 3.483 -6.399 1.00 0.00 C0 ATOM 691 O PHE A 46 1.352 2.395 -6.822 1.00 0.00 O0 ATOM 692 CB PHE A 46 3.788 4.671 -7.202 1.00 0.00 C0 ATOM 693 CG PHE A 46 4.518 3.366 -7.336 1.00 0.00 C0 ATOM 694 CD1 PHE A 46 4.659 2.759 -8.576 1.00 0.00 C0 ATOM 695 CD2 PHE A 46 5.065 2.743 -6.226 1.00 0.00 C0 ATOM 696 CE1 PHE A 46 5.332 1.559 -8.701 1.00 0.00 C0 ATOM 697 CE2 PHE A 46 5.739 1.543 -6.349 1.00 0.00 C0 ATOM 698 CZ PHE A 46 5.873 0.950 -7.588 1.00 0.00 C0 ATOM 0 H PHE A 46 2.264 6.575 -6.818 1.00 0.00 H new ATOM 0 HA PHE A 46 2.032 4.246 -8.373 1.00 0.00 H new ATOM 0 HB2 PHE A 46 4.163 5.365 -7.954 1.00 0.00 H new ATOM 0 HB3 PHE A 46 4.013 5.104 -6.227 1.00 0.00 H new ATOM 0 HD1 PHE A 46 4.238 3.230 -9.452 1.00 0.00 H new ATOM 0 HD2 PHE A 46 4.963 3.201 -5.253 1.00 0.00 H new ATOM 0 HE1 PHE A 46 5.435 1.097 -9.672 1.00 0.00 H new ATOM 0 HE2 PHE A 46 6.161 1.069 -5.475 1.00 0.00 H new ATOM 0 HZ PHE A 46 6.400 0.012 -7.686 1.00 0.00 H new ATOM 708 N SER A 47 1.739 3.802 -5.109 1.00 0.00 N0 ATOM 709 CA SER A 47 1.362 2.837 -4.083 1.00 0.00 C0 ATOM 710 C SER A 47 -0.104 2.444 -4.210 1.00 0.00 C0 ATOM 711 O SER A 47 -0.501 1.351 -3.806 1.00 0.00 O0 ATOM 712 CB SER A 47 1.623 3.412 -2.705 1.00 0.00 C0 ATOM 713 OG SER A 47 0.732 4.456 -2.419 1.00 0.00 O0 ATOM 0 H SER A 47 1.992 4.722 -4.749 1.00 0.00 H new ATOM 0 HA SER A 47 1.969 1.943 -4.222 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.523 2.628 -1.955 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.648 3.778 -2.648 1.00 0.00 H new ATOM 0 HG SER A 47 0.468 4.898 -3.253 1.00 0.00 H new ATOM 719 N PHE A 48 -0.906 3.340 -4.774 1.00 0.00 N0 ATOM 720 CA PHE A 48 -2.299 3.038 -5.079 1.00 0.00 C0 ATOM 721 C PHE A 48 -2.409 1.897 -6.082 1.00 0.00 C0 ATOM 722 O PHE A 48 -3.116 0.917 -5.847 1.00 0.00 O0 ATOM 723 CB PHE A 48 -3.006 4.278 -5.629 1.00 0.00 C0 ATOM 724 CG PHE A 48 -4.453 4.050 -5.967 1.00 0.00 C0 ATOM 725 CD1 PHE A 48 -5.441 4.249 -5.015 1.00 0.00 C0 ATOM 726 CD2 PHE A 48 -4.828 3.637 -7.235 1.00 0.00 C0 ATOM 727 CE1 PHE A 48 -6.772 4.041 -5.323 1.00 0.00 C0 ATOM 728 CE2 PHE A 48 -6.157 3.429 -7.549 1.00 0.00 C0 ATOM 729 CZ PHE A 48 -7.130 3.631 -6.591 1.00 0.00 C0 ATOM 0 H PHE A 48 -0.614 4.283 -5.030 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.782 2.730 -4.152 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -2.936 5.081 -4.895 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -2.483 4.617 -6.523 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -5.167 4.570 -4.021 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -4.071 3.475 -7.988 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -7.532 4.199 -4.572 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -6.434 3.109 -8.542 1.00 0.00 H new ATOM 0 HZ PHE A 48 -8.170 3.468 -6.833 1.00 0.00 H new ATOM 739 N LEU A 49 -1.706 2.030 -7.202 1.00 0.00 N0 ATOM 740 CA LEU A 49 -1.714 1.005 -8.238 1.00 0.00 C0 ATOM 741 C LEU A 49 -1.094 -0.293 -7.735 1.00 0.00 C0 ATOM 742 O LEU A 49 -1.516 -1.383 -8.118 1.00 0.00 O0 ATOM 743 CB LEU A 49 -0.953 1.496 -9.475 1.00 0.00 C0 ATOM 744 CG LEU A 49 -1.580 2.686 -10.213 1.00 0.00 C0 ATOM 745 CD1 LEU A 49 -0.662 3.123 -11.347 1.00 0.00 C0 ATOM 746 CD2 LEU A 49 -2.951 2.292 -10.740 1.00 0.00 C0 ATOM 0 H LEU A 49 -1.123 2.839 -7.415 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.752 0.809 -8.505 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.057 1.771 -9.172 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.860 0.666 -10.175 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.703 3.525 -9.528 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.108 3.968 -11.871 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.305 3.418 -10.939 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.525 2.296 -12.044 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.396 3.138 -11.264 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.849 1.452 -11.427 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.592 2.003 -9.907 1.00 0.00 H new ATOM 758 N GLU A 50 -0.090 -0.167 -6.874 1.00 0.00 N0 ATOM 759 CA GLU A 50 0.496 -1.324 -6.206 1.00 0.00 C0 ATOM 760 C GLU A 50 -0.544 -2.062 -5.371 1.00 0.00 C0 ATOM 761 O GLU A 50 -0.685 -3.280 -5.475 1.00 0.00 O0 ATOM 762 CB GLU A 50 1.665 -0.892 -5.318 1.00 0.00 C0 ATOM 763 CG GLU A 50 2.298 -2.023 -4.520 1.00 0.00 C0 ATOM 764 CD GLU A 50 3.347 -1.541 -3.554 1.00 0.00 C0 ATOM 765 OE1 GLU A 50 3.613 -0.364 -3.535 1.00 0.00 O0 ATOM 766 OE2 GLU A 50 3.881 -2.352 -2.835 1.00 0.00 O1- ATOM 0 H GLU A 50 0.335 0.725 -6.622 1.00 0.00 H new ATOM 0 HA GLU A 50 0.863 -2.003 -6.976 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.430 -0.432 -5.943 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.316 -0.126 -4.626 1.00 0.00 H new ATOM 0 HG2 GLU A 50 1.520 -2.553 -3.970 1.00 0.00 H new ATOM 0 HG3 GLU A 50 2.746 -2.740 -5.208 1.00 0.00 H new ATOM 773 N SER A 51 -1.268 -1.316 -4.544 1.00 0.00 N0 ATOM 774 CA SER A 51 -2.242 -1.907 -3.635 1.00 0.00 C0 ATOM 775 C SER A 51 -3.336 -2.642 -4.400 1.00 0.00 C0 ATOM 776 O SER A 51 -3.790 -3.708 -3.983 1.00 0.00 O0 ATOM 777 CB SER A 51 -2.859 -0.833 -2.760 1.00 0.00 C0 ATOM 778 OG SER A 51 -1.899 -0.261 -1.914 1.00 0.00 O0 ATOM 0 H SER A 51 -1.198 -0.300 -4.485 1.00 0.00 H new ATOM 0 HA SER A 51 -1.720 -2.629 -3.007 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.304 -0.060 -3.386 1.00 0.00 H new ATOM 0 HB3 SER A 51 -3.664 -1.263 -2.164 1.00 0.00 H new ATOM 0 HG SER A 51 -1.321 0.337 -2.432 1.00 0.00 H new ATOM 784 N HIS A 52 -3.756 -2.064 -5.521 1.00 0.00 N0 ATOM 785 CA HIS A 52 -4.856 -2.618 -6.302 1.00 0.00 C0 ATOM 786 C HIS A 52 -4.340 -3.446 -7.471 1.00 0.00 C0 ATOM 787 O HIS A 52 -5.120 -4.011 -8.237 1.00 0.00 O0 ATOM 788 CB HIS A 52 -5.765 -1.500 -6.822 1.00 0.00 C0 ATOM 789 CG HIS A 52 -6.480 -0.752 -5.740 1.00 0.00 C0 ATOM 790 ND1 HIS A 52 -7.564 -1.274 -5.067 1.00 0.00 N0 ATOM 791 CD2 HIS A 52 -6.266 0.477 -5.215 1.00 0.00 C0 ATOM 792 CE1 HIS A 52 -7.986 -0.397 -4.173 1.00 0.00 C0 ATOM 793 NE2 HIS A 52 -7.216 0.673 -4.243 1.00 0.00 N0 ATOM 0 H HIS A 52 -3.351 -1.212 -5.909 1.00 0.00 H new ATOM 0 HA HIS A 52 -5.431 -3.269 -5.644 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -5.166 -0.798 -7.402 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -6.501 -1.929 -7.502 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -5.493 1.173 -5.506 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -8.819 -0.533 -3.499 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -7.311 1.510 -3.668 1.00 0.00 H new ATOM 801 N ASN A 53 -3.019 -3.514 -7.604 1.00 0.00 N0 ATOM 802 CA ASN A 53 -2.395 -4.331 -8.638 1.00 0.00 C0 ATOM 803 C ASN A 53 -2.919 -3.965 -10.020 1.00 0.00 C0 ATOM 804 O ASN A 53 -3.240 -4.841 -10.825 1.00 0.00 O0 ATOM 805 CB ASN A 53 -2.612 -5.807 -8.357 1.00 0.00 C0 ATOM 806 CG ASN A 53 -1.919 -6.264 -7.104 1.00 0.00 C0 ATOM 807 OD1 ASN A 53 -0.721 -6.020 -6.918 1.00 0.00 O0 ATOM 808 ND2 ASN A 53 -2.648 -6.925 -6.241 1.00 0.00 N0 ATOM 0 H ASN A 53 -2.360 -3.013 -7.008 1.00 0.00 H new ATOM 0 HA ASN A 53 -1.324 -4.130 -8.622 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -3.681 -6.003 -8.269 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -2.249 -6.391 -9.202 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -2.231 -7.262 -5.373 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -3.633 -7.103 -6.436 1.00 0.00 H new ATOM 815 N LYS A 54 -3.003 -2.668 -10.291 1.00 0.00 N0 ATOM 816 CA LYS A 54 -3.531 -2.182 -11.561 1.00 0.00 C0 ATOM 817 C LYS A 54 -2.410 -1.747 -12.495 1.00 0.00 C0 ATOM 818 O LYS A 54 -2.659 -1.298 -13.613 1.00 0.00 O0 ATOM 819 CB LYS A 54 -4.503 -1.023 -11.329 1.00 0.00 C0 ATOM 820 CG LYS A 54 -5.719 -1.381 -10.486 1.00 0.00 C0 ATOM 821 CD LYS A 54 -6.573 -2.439 -11.168 1.00 0.00 C0 ATOM 822 CE LYS A 54 -7.828 -2.743 -10.362 1.00 0.00 C0 ATOM 823 NZ LYS A 54 -8.656 -3.802 -11.000 1.00 0.00 N1+ ATOM 0 H LYS A 54 -2.712 -1.932 -9.647 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.067 -3.004 -12.035 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.967 -0.207 -10.844 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.843 -0.651 -12.295 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.394 -1.746 -9.512 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.317 -0.487 -10.308 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -6.853 -2.097 -12.164 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.991 -3.352 -11.296 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -7.546 -3.059 -9.357 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -8.420 -1.834 -10.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -9.501 -3.979 -10.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -8.947 -3.491 -11.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -8.100 -4.677 -11.078 1.00 0.00 H new ATOM 837 N LEU A 55 -1.173 -1.883 -12.028 1.00 0.00 N0 ATOM 838 CA LEU A 55 -0.008 -1.526 -12.830 1.00 0.00 C0 ATOM 839 C LEU A 55 0.740 -2.768 -13.296 1.00 0.00 C0 ATOM 840 O LEU A 55 1.199 -3.570 -12.484 1.00 0.00 O0 ATOM 841 CB LEU A 55 0.935 -0.626 -12.023 1.00 0.00 C0 ATOM 842 CG LEU A 55 2.240 -0.229 -12.727 1.00 0.00 C0 ATOM 843 CD1 LEU A 55 1.918 0.612 -13.955 1.00 0.00 C0 ATOM 844 CD2 LEU A 55 3.127 0.537 -11.757 1.00 0.00 C0 ATOM 0 H LEU A 55 -0.951 -2.238 -11.098 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.359 -0.986 -13.709 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.398 0.283 -11.754 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.186 -1.135 -11.093 1.00 0.00 H new ATOM 0 HG LEU A 55 2.776 -1.121 -13.051 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.844 0.894 -14.456 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.297 0.034 -14.639 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.382 1.511 -13.650 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.054 0.819 -12.257 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.608 1.435 -11.421 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.355 -0.093 -10.898 1.00 0.00 H new ATOM 856 N ASP A 56 0.862 -2.921 -14.611 1.00 0.00 N0 ATOM 857 CA ASP A 56 1.515 -4.089 -15.189 1.00 0.00 C0 ATOM 858 C ASP A 56 3.006 -3.847 -15.383 1.00 0.00 C0 ATOM 859 O ASP A 56 3.505 -2.749 -15.128 1.00 0.00 O0 ATOM 860 CB ASP A 56 0.873 -4.454 -16.530 1.00 0.00 C0 ATOM 861 CG ASP A 56 1.123 -3.410 -17.611 1.00 0.00 C0 ATOM 862 OD1 ASP A 56 2.025 -2.623 -17.451 1.00 0.00 O0 ATOM 863 OD2 ASP A 56 0.411 -3.412 -18.586 1.00 0.00 O1- ATOM 0 H ASP A 56 0.516 -2.249 -15.297 1.00 0.00 H new ATOM 0 HA ASP A 56 1.387 -4.918 -14.492 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.263 -5.416 -16.864 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.201 -4.576 -16.391 1.00 0.00 H new ATOM 868 N LYS A 57 3.714 -4.875 -15.836 1.00 0.00 N0 ATOM 869 CA LYS A 57 5.162 -4.803 -15.983 1.00 0.00 C0 ATOM 870 C LYS A 57 5.556 -3.861 -17.113 1.00 0.00 C0 ATOM 871 O LYS A 57 6.527 -3.112 -16.999 1.00 0.00 O0 ATOM 872 CB LYS A 57 5.746 -6.195 -16.231 1.00 0.00 C0 ATOM 873 CG LYS A 57 7.264 -6.230 -16.348 1.00 0.00 C0 ATOM 874 CD LYS A 57 7.777 -7.657 -16.457 1.00 0.00 C0 ATOM 875 CE LYS A 57 9.293 -7.693 -16.585 1.00 0.00 C0 ATOM 876 NZ LYS A 57 9.757 -7.112 -17.875 1.00 0.00 N1+ ATOM 0 H LYS A 57 3.307 -5.770 -16.108 1.00 0.00 H new ATOM 0 HA LYS A 57 5.571 -4.408 -15.053 1.00 0.00 H new ATOM 0 HB2 LYS A 57 5.441 -6.853 -15.417 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.314 -6.599 -17.147 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.577 -5.661 -17.224 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.709 -5.747 -15.478 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.471 -8.224 -15.578 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.326 -8.143 -17.322 1.00 0.00 H new ATOM 0 HE2 LYS A 57 9.740 -7.142 -15.757 1.00 0.00 H new ATOM 0 HE3 LYS A 57 9.639 -8.723 -16.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 10.767 -7.321 -18.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 9.213 -7.526 -18.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 9.616 -6.082 -17.862 1.00 0.00 H new ATOM 890 N ASP A 58 4.798 -3.903 -18.203 1.00 0.00 N0 ATOM 891 CA ASP A 58 5.108 -3.106 -19.383 1.00 0.00 C0 ATOM 892 C ASP A 58 5.181 -1.623 -19.043 1.00 0.00 C0 ATOM 893 O ASP A 58 6.113 -0.928 -19.449 1.00 0.00 O0 ATOM 894 CB ASP A 58 4.060 -3.335 -20.475 1.00 0.00 C0 ATOM 895 CG ASP A 58 4.170 -4.707 -21.124 1.00 0.00 C0 ATOM 896 OD1 ASP A 58 5.175 -5.352 -20.938 1.00 0.00 O0 ATOM 897 OD2 ASP A 58 3.249 -5.097 -21.801 1.00 0.00 O1- ATOM 0 H ASP A 58 3.963 -4.482 -18.293 1.00 0.00 H new ATOM 0 HA ASP A 58 6.084 -3.424 -19.750 1.00 0.00 H new ATOM 0 HB2 ASP A 58 3.065 -3.221 -20.046 1.00 0.00 H new ATOM 0 HB3 ASP A 58 4.167 -2.567 -21.241 1.00 0.00 H new ATOM 902 N ASN A 59 4.193 -1.143 -18.295 1.00 0.00 N0 ATOM 903 CA ASN A 59 4.178 0.244 -17.844 1.00 0.00 C0 ATOM 904 C ASN A 59 5.171 0.465 -16.710 1.00 0.00 C0 ATOM 905 O ASN A 59 5.793 1.522 -16.614 1.00 0.00 O0 ATOM 906 CB ASN A 59 2.780 0.649 -17.416 1.00 0.00 C0 ATOM 907 CG ASN A 59 1.849 0.834 -18.583 1.00 0.00 C0 ATOM 908 OD1 ASN A 59 2.283 1.162 -19.693 1.00 0.00 O0 ATOM 909 ND2 ASN A 59 0.577 0.630 -18.353 1.00 0.00 N0 ATOM 0 H ASN A 59 3.392 -1.694 -17.988 1.00 0.00 H new ATOM 0 HA ASN A 59 4.481 0.873 -18.681 1.00 0.00 H new ATOM 0 HB2 ASN A 59 2.374 -0.111 -16.749 1.00 0.00 H new ATOM 0 HB3 ASN A 59 2.833 1.577 -16.847 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.102 0.741 -19.106 1.00 0.00 H new ATOM 0 HD22 ASN A 59 0.264 0.360 -17.420 1.00 0.00 H new ATOM 916 N LEU A 60 5.315 -0.540 -15.853 1.00 0.00 N0 ATOM 917 CA LEU A 60 6.233 -0.456 -14.722 1.00 0.00 C0 ATOM 918 C LEU A 60 7.649 -0.143 -15.185 1.00 0.00 C0 ATOM 919 O LEU A 60 8.400 0.545 -14.493 1.00 0.00 O0 ATOM 920 CB LEU A 60 6.224 -1.772 -13.934 1.00 0.00 C0 ATOM 921 CG LEU A 60 7.035 -1.773 -12.632 1.00 0.00 C0 ATOM 922 CD1 LEU A 60 6.474 -0.725 -11.682 1.00 0.00 C0 ATOM 923 CD2 LEU A 60 6.989 -3.160 -12.007 1.00 0.00 C0 ATOM 0 H LEU A 60 4.808 -1.423 -15.920 1.00 0.00 H new ATOM 0 HA LEU A 60 5.896 0.355 -14.076 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.191 -2.025 -13.697 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.606 -2.563 -14.579 1.00 0.00 H new ATOM 0 HG LEU A 60 8.075 -1.524 -12.841 1.00 0.00 H new ATOM 0 HD11 LEU A 60 7.051 -0.726 -10.757 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.537 0.259 -12.147 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.432 -0.956 -11.460 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.565 -3.161 -11.082 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.955 -3.428 -11.791 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.414 -3.886 -12.700 1.00 0.00 H new ATOM 935 N SER A 61 8.010 -0.655 -16.357 1.00 0.00 N0 ATOM 936 CA SER A 61 9.334 -0.418 -16.921 1.00 0.00 C0 ATOM 937 C SER A 61 9.586 1.070 -17.130 1.00 0.00 C0 ATOM 938 O SER A 61 10.721 1.537 -17.028 1.00 0.00 O0 ATOM 939 CB SER A 61 9.478 -1.153 -18.239 1.00 0.00 C0 ATOM 940 OG SER A 61 8.678 -0.569 -19.231 1.00 0.00 O0 ATOM 0 H SER A 61 7.404 -1.237 -16.935 1.00 0.00 H new ATOM 0 HA SER A 61 10.073 -0.794 -16.213 1.00 0.00 H new ATOM 0 HB2 SER A 61 10.521 -1.140 -18.554 1.00 0.00 H new ATOM 0 HB3 SER A 61 9.197 -2.198 -18.109 1.00 0.00 H new ATOM 0 HG SER A 61 7.743 -0.563 -18.936 1.00 0.00 H new ATOM 946 N TYR A 62 8.522 1.810 -17.421 1.00 0.00 N0 ATOM 947 CA TYR A 62 8.614 3.258 -17.573 1.00 0.00 C0 ATOM 948 C TYR A 62 8.540 3.959 -16.223 1.00 0.00 C0 ATOM 949 O TYR A 62 9.119 5.029 -16.036 1.00 0.00 O0 ATOM 950 CB TYR A 62 7.509 3.771 -18.499 1.00 0.00 C0 ATOM 951 CG TYR A 62 7.624 3.270 -19.922 1.00 0.00 C0 ATOM 952 CD1 TYR A 62 6.773 2.274 -20.378 1.00 0.00 C0 ATOM 953 CD2 TYR A 62 8.579 3.808 -20.771 1.00 0.00 C0 ATOM 954 CE1 TYR A 62 6.878 1.817 -21.677 1.00 0.00 C0 ATOM 955 CE2 TYR A 62 8.685 3.351 -22.070 1.00 0.00 C0 ATOM 956 CZ TYR A 62 7.838 2.359 -22.524 1.00 0.00 C0 ATOM 957 OH TYR A 62 7.943 1.905 -23.818 1.00 0.00 O0 ATOM 0 H TYR A 62 7.585 1.431 -17.557 1.00 0.00 H new ATOM 0 HA TYR A 62 9.581 3.487 -18.020 1.00 0.00 H new ATOM 0 HB2 TYR A 62 6.542 3.472 -18.095 1.00 0.00 H new ATOM 0 HB3 TYR A 62 7.529 4.861 -18.505 1.00 0.00 H new ATOM 0 HD1 TYR A 62 6.028 1.856 -19.717 1.00 0.00 H new ATOM 0 HD2 TYR A 62 9.240 4.585 -20.416 1.00 0.00 H new ATOM 0 HE1 TYR A 62 6.217 1.041 -22.034 1.00 0.00 H new ATOM 0 HE2 TYR A 62 9.430 3.769 -22.731 1.00 0.00 H new ATOM 0 HH TYR A 62 8.662 2.388 -24.277 1.00 0.00 H new ATOM 967 N ILE A 63 7.823 3.351 -15.284 1.00 0.00 N0 ATOM 968 CA ILE A 63 7.738 3.873 -13.926 1.00 0.00 C0 ATOM 969 C ILE A 63 9.094 3.828 -13.233 1.00 0.00 C0 ATOM 970 O ILE A 63 9.455 4.743 -12.492 1.00 0.00 O0 ATOM 971 CB ILE A 63 6.711 3.082 -13.096 1.00 0.00 C0 ATOM 972 CG1 ILE A 63 5.310 3.235 -13.694 1.00 0.00 C0 ATOM 973 CG2 ILE A 63 6.728 3.545 -11.647 1.00 0.00 C0 ATOM 974 CD1 ILE A 63 4.859 4.672 -13.832 1.00 0.00 C0 ATOM 0 H ILE A 63 7.291 2.494 -15.440 1.00 0.00 H new ATOM 0 HA ILE A 63 7.414 4.911 -13.998 1.00 0.00 H new ATOM 0 HB ILE A 63 6.983 2.027 -13.122 1.00 0.00 H new ATOM 0 HG12 ILE A 63 5.291 2.762 -14.676 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.597 2.699 -13.068 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.996 2.975 -11.074 1.00 0.00 H new ATOM 0 HG22 ILE A 63 7.721 3.387 -11.226 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.479 4.605 -11.601 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.858 4.699 -14.263 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.845 5.145 -12.850 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.549 5.209 -14.483 1.00 0.00 H new ATOM 986 N GLU A 64 9.843 2.758 -13.478 1.00 0.00 N0 ATOM 987 CA GLU A 64 11.219 2.661 -13.005 1.00 0.00 C0 ATOM 988 C GLU A 64 12.071 3.801 -13.551 1.00 0.00 C0 ATOM 989 O GLU A 64 12.793 4.462 -12.805 1.00 0.00 O0 ATOM 990 CB GLU A 64 11.829 1.317 -13.410 1.00 0.00 C0 ATOM 991 CG GLU A 64 13.253 1.100 -12.919 1.00 0.00 C0 ATOM 992 CD GLU A 64 13.815 -0.234 -13.326 1.00 0.00 C0 ATOM 993 OE1 GLU A 64 13.110 -0.987 -13.955 1.00 0.00 O0 ATOM 994 OE2 GLU A 64 14.950 -0.500 -13.008 1.00 0.00 O1- ATOM 0 H GLU A 64 9.520 1.945 -14.002 1.00 0.00 H new ATOM 0 HA GLU A 64 11.203 2.734 -11.918 1.00 0.00 H new ATOM 0 HB2 GLU A 64 11.199 0.515 -13.025 1.00 0.00 H new ATOM 0 HB3 GLU A 64 11.816 1.239 -14.497 1.00 0.00 H new ATOM 0 HG2 GLU A 64 13.891 1.892 -13.310 1.00 0.00 H new ATOM 0 HG3 GLU A 64 13.274 1.181 -11.832 1.00 0.00 H new ATOM 1001 N HIS A 65 11.981 4.027 -14.857 1.00 0.00 N0 ATOM 1002 CA HIS A 65 12.748 5.082 -15.507 1.00 0.00 C0 ATOM 1003 C HIS A 65 12.546 6.420 -14.807 1.00 0.00 C0 ATOM 1004 O HIS A 65 13.511 7.092 -14.442 1.00 0.00 O0 ATOM 1005 CB HIS A 65 12.354 5.208 -16.983 1.00 0.00 C0 ATOM 1006 CG HIS A 65 12.986 6.375 -17.676 1.00 0.00 C0 ATOM 1007 ND1 HIS A 65 14.298 6.365 -18.103 1.00 0.00 N0 ATOM 1008 CD2 HIS A 65 12.489 7.586 -18.017 1.00 0.00 C0 ATOM 1009 CE1 HIS A 65 14.579 7.521 -18.677 1.00 0.00 C0 ATOM 1010 NE2 HIS A 65 13.498 8.280 -18.638 1.00 0.00 N0 ATOM 0 H HIS A 65 11.383 3.492 -15.487 1.00 0.00 H new ATOM 0 HA HIS A 65 13.801 4.810 -15.441 1.00 0.00 H new ATOM 0 HB2 HIS A 65 12.633 4.292 -17.504 1.00 0.00 H new ATOM 0 HB3 HIS A 65 11.270 5.298 -17.054 1.00 0.00 H new ATOM 0 HD2 HIS A 65 11.485 7.941 -17.835 1.00 0.00 H new ATOM 0 HE1 HIS A 65 15.531 7.799 -19.105 1.00 0.00 H new ATOM 0 HE2 HIS A 65 13.425 9.227 -19.009 1.00 0.00 H new ATOM 1018 N ILE A 66 11.287 6.802 -14.622 1.00 0.00 N0 ATOM 1019 CA ILE A 66 10.955 8.131 -14.124 1.00 0.00 C0 ATOM 1020 C ILE A 66 11.298 8.268 -12.646 1.00 0.00 C0 ATOM 1021 O ILE A 66 11.485 9.375 -12.142 1.00 0.00 O0 ATOM 1022 CB ILE A 66 9.461 8.440 -14.335 1.00 0.00 C0 ATOM 1023 CG1 ILE A 66 8.596 7.465 -13.531 1.00 0.00 C0 ATOM 1024 CG2 ILE A 66 9.108 8.375 -15.812 1.00 0.00 C0 ATOM 1025 CD1 ILE A 66 7.117 7.772 -13.588 1.00 0.00 C0 ATOM 0 H ILE A 66 10.479 6.209 -14.810 1.00 0.00 H new ATOM 0 HA ILE A 66 11.551 8.847 -14.690 1.00 0.00 H new ATOM 0 HB ILE A 66 9.262 9.451 -13.979 1.00 0.00 H new ATOM 0 HG12 ILE A 66 8.762 6.454 -13.903 1.00 0.00 H new ATOM 0 HG13 ILE A 66 8.921 7.479 -12.491 1.00 0.00 H new ATOM 0 HG21 ILE A 66 8.049 8.596 -15.943 1.00 0.00 H new ATOM 0 HG22 ILE A 66 9.702 9.106 -16.361 1.00 0.00 H new ATOM 0 HG23 ILE A 66 9.320 7.376 -16.193 1.00 0.00 H new ATOM 0 HD11 ILE A 66 6.570 7.039 -12.995 1.00 0.00 H new ATOM 0 HD12 ILE A 66 6.937 8.770 -13.188 1.00 0.00 H new ATOM 0 HD13 ILE A 66 6.776 7.729 -14.622 1.00 0.00 H new ATOM 1037 N PHE A 67 11.381 7.135 -11.956 1.00 0.00 N0 ATOM 1038 CA PHE A 67 11.841 7.113 -10.573 1.00 0.00 C0 ATOM 1039 C PHE A 67 13.358 7.234 -10.494 1.00 0.00 C0 ATOM 1040 O PHE A 67 13.900 7.733 -9.508 1.00 0.00 O0 ATOM 1041 CB PHE A 67 11.390 5.825 -9.880 1.00 0.00 C0 ATOM 1042 CG PHE A 67 9.924 5.793 -9.555 1.00 0.00 C0 ATOM 1043 CD1 PHE A 67 9.140 6.927 -9.710 1.00 0.00 C0 ATOM 1044 CD2 PHE A 67 9.326 4.631 -9.093 1.00 0.00 C0 ATOM 1045 CE1 PHE A 67 7.791 6.898 -9.410 1.00 0.00 C0 ATOM 1046 CE2 PHE A 67 7.978 4.600 -8.793 1.00 0.00 C0 ATOM 1047 CZ PHE A 67 7.210 5.735 -8.952 1.00 0.00 C0 ATOM 0 H PHE A 67 11.135 6.220 -12.333 1.00 0.00 H new ATOM 0 HA PHE A 67 11.399 7.970 -10.064 1.00 0.00 H new ATOM 0 HB2 PHE A 67 11.629 4.976 -10.520 1.00 0.00 H new ATOM 0 HB3 PHE A 67 11.960 5.700 -8.959 1.00 0.00 H new ATOM 0 HD1 PHE A 67 9.588 7.842 -10.069 1.00 0.00 H new ATOM 0 HD2 PHE A 67 9.921 3.739 -8.966 1.00 0.00 H new ATOM 0 HE1 PHE A 67 7.192 7.788 -9.535 1.00 0.00 H new ATOM 0 HE2 PHE A 67 7.525 3.687 -8.434 1.00 0.00 H new ATOM 0 HZ PHE A 67 6.156 5.712 -8.718 1.00 0.00 H new ATOM 1057 N GLU A 68 14.037 6.773 -11.539 1.00 0.00 N0 ATOM 1058 CA GLU A 68 15.475 6.976 -11.666 1.00 0.00 C0 ATOM 1059 C GLU A 68 15.798 8.424 -12.012 1.00 0.00 C0 ATOM 1060 O GLU A 68 16.807 8.971 -11.563 1.00 0.00 O0 ATOM 1061 CB GLU A 68 16.054 6.045 -12.735 1.00 0.00 C0 ATOM 1062 CG GLU A 68 17.563 6.136 -12.898 1.00 0.00 C0 ATOM 1063 CD GLU A 68 18.312 5.714 -11.664 1.00 0.00 C0 ATOM 1064 OE1 GLU A 68 17.805 4.895 -10.936 1.00 0.00 O0 ATOM 1065 OE2 GLU A 68 19.393 6.210 -11.450 1.00 0.00 O1- ATOM 0 H GLU A 68 13.614 6.256 -12.310 1.00 0.00 H new ATOM 0 HA GLU A 68 15.930 6.743 -10.703 1.00 0.00 H new ATOM 0 HB2 GLU A 68 15.789 5.017 -12.486 1.00 0.00 H new ATOM 0 HB3 GLU A 68 15.583 6.273 -13.691 1.00 0.00 H new ATOM 0 HG2 GLU A 68 17.871 5.510 -13.736 1.00 0.00 H new ATOM 0 HG3 GLU A 68 17.835 7.161 -13.149 1.00 0.00 H new ATOM 1072 N ILE A 69 14.938 9.042 -12.814 1.00 0.00 N0 ATOM 1073 CA ILE A 69 15.120 10.435 -13.206 1.00 0.00 C0 ATOM 1074 C ILE A 69 14.748 11.379 -12.069 1.00 0.00 C0 ATOM 1075 O ILE A 69 15.458 12.347 -11.798 1.00 0.00 O0 ATOM 1076 CB ILE A 69 14.276 10.769 -14.449 1.00 0.00 C0 ATOM 1077 CG1 ILE A 69 14.729 9.927 -15.645 1.00 0.00 C0 ATOM 1078 CG2 ILE A 69 14.372 12.253 -14.773 1.00 0.00 C0 ATOM 1079 CD1 ILE A 69 16.181 10.123 -16.015 1.00 0.00 C0 ATOM 0 H ILE A 69 14.107 8.600 -13.206 1.00 0.00 H new ATOM 0 HA ILE A 69 16.175 10.571 -13.444 1.00 0.00 H new ATOM 0 HB ILE A 69 13.234 10.530 -14.235 1.00 0.00 H new ATOM 0 HG12 ILE A 69 14.560 8.874 -15.421 1.00 0.00 H new ATOM 0 HG13 ILE A 69 14.108 10.173 -16.506 1.00 0.00 H new ATOM 0 HG21 ILE A 69 13.770 12.473 -15.654 1.00 0.00 H new ATOM 0 HG22 ILE A 69 14.004 12.835 -13.928 1.00 0.00 H new ATOM 0 HG23 ILE A 69 15.411 12.516 -14.969 1.00 0.00 H new ATOM 0 HD11 ILE A 69 16.427 9.494 -16.870 1.00 0.00 H new ATOM 0 HD12 ILE A 69 16.353 11.168 -16.272 1.00 0.00 H new ATOM 0 HD13 ILE A 69 16.812 9.849 -15.170 1.00 0.00 H new ATOM 1091 N SER A 70 13.631 11.092 -11.410 1.00 0.00 N0 ATOM 1092 CA SER A 70 13.155 11.925 -10.311 1.00 0.00 C0 ATOM 1093 C SER A 70 13.912 11.626 -9.024 1.00 0.00 C0 ATOM 1094 O SER A 70 13.721 12.296 -8.010 1.00 0.00 O0 ATOM 1095 CB SER A 70 11.670 11.708 -10.098 1.00 0.00 C0 ATOM 1096 OG SER A 70 11.410 10.399 -9.670 1.00 0.00 O0 ATOM 0 H SER A 70 13.038 10.289 -11.617 1.00 0.00 H new ATOM 0 HA SER A 70 13.334 12.967 -10.577 1.00 0.00 H new ATOM 0 HB2 SER A 70 11.298 12.417 -9.358 1.00 0.00 H new ATOM 0 HB3 SER A 70 11.133 11.904 -11.026 1.00 0.00 H new ATOM 0 HG SER A 70 11.119 9.857 -10.433 1.00 0.00 H new ATOM 1102 N ARG A 71 14.772 10.614 -9.071 1.00 0.00 N0 ATOM 1103 CA ARG A 71 15.593 10.252 -7.922 1.00 0.00 C0 ATOM 1104 C ARG A 71 14.731 9.817 -6.743 1.00 0.00 C0 ATOM 1105 O ARG A 71 14.601 10.542 -5.757 1.00 0.00 O0 ATOM 1106 CB ARG A 71 16.470 11.422 -7.500 1.00 0.00 C0 ATOM 1107 CG ARG A 71 17.221 12.099 -8.636 1.00 0.00 C0 ATOM 1108 CD ARG A 71 17.982 11.118 -9.452 1.00 0.00 C0 ATOM 1109 NE ARG A 71 19.020 10.457 -8.678 1.00 0.00 N0 ATOM 1110 CZ ARG A 71 19.525 9.239 -8.957 1.00 0.00 C0 ATOM 1111 NH1 ARG A 71 19.079 8.565 -9.994 1.00 0.00 N1+ ATOM 1112 NH2 ARG A 71 20.469 8.723 -8.189 1.00 0.00 N0 ATOM 0 H ARG A 71 14.918 10.029 -9.894 1.00 0.00 H new ATOM 0 HA ARG A 71 16.224 9.416 -8.222 1.00 0.00 H new ATOM 0 HB2 ARG A 71 15.846 12.164 -7.002 1.00 0.00 H new ATOM 0 HB3 ARG A 71 17.193 11.069 -6.765 1.00 0.00 H new ATOM 0 HG2 ARG A 71 16.515 12.632 -9.273 1.00 0.00 H new ATOM 0 HG3 ARG A 71 17.906 12.842 -8.228 1.00 0.00 H new ATOM 0 HD2 ARG A 71 17.297 10.371 -9.853 1.00 0.00 H new ATOM 0 HD3 ARG A 71 18.433 11.627 -10.304 1.00 0.00 H new ATOM 0 HE ARG A 71 19.392 10.950 -7.866 1.00 0.00 H new ATOM 0 HH11 ARG A 71 18.351 8.964 -10.587 1.00 0.00 H new ATOM 0 HH12 ARG A 71 19.461 7.643 -10.206 1.00 0.00 H new ATOM 0 HH21 ARG A 71 20.815 9.247 -7.385 1.00 0.00 H new ATOM 0 HH22 ARG A 71 20.851 7.801 -8.400 1.00 0.00 H new ATOM 1126 N ARG A 72 14.144 8.631 -6.853 1.00 0.00 N0 ATOM 1127 CA ARG A 72 13.384 8.048 -5.754 1.00 0.00 C0 ATOM 1128 C ARG A 72 13.848 6.628 -5.454 1.00 0.00 C0 ATOM 1129 O ARG A 72 13.209 5.658 -5.859 1.00 0.00 O0 ATOM 1130 CB ARG A 72 11.897 8.033 -6.078 1.00 0.00 C0 ATOM 1131 CG ARG A 72 11.266 9.407 -6.242 1.00 0.00 C0 ATOM 1132 CD ARG A 72 11.161 10.123 -4.945 1.00 0.00 C0 ATOM 1133 NE ARG A 72 10.473 11.396 -5.080 1.00 0.00 N0 ATOM 1134 CZ ARG A 72 11.078 12.566 -5.364 1.00 0.00 C0 ATOM 1135 NH1 ARG A 72 12.381 12.608 -5.538 1.00 0.00 N1+ ATOM 1136 NH2 ARG A 72 10.362 13.672 -5.467 1.00 0.00 N0 ATOM 0 H ARG A 72 14.180 8.054 -7.693 1.00 0.00 H new ATOM 0 HA ARG A 72 13.557 8.667 -4.874 1.00 0.00 H new ATOM 0 HB2 ARG A 72 11.745 7.467 -6.997 1.00 0.00 H new ATOM 0 HB3 ARG A 72 11.372 7.500 -5.285 1.00 0.00 H new ATOM 0 HG2 ARG A 72 11.860 10.000 -6.937 1.00 0.00 H new ATOM 0 HG3 ARG A 72 10.274 9.301 -6.681 1.00 0.00 H new ATOM 0 HD2 ARG A 72 10.629 9.498 -4.228 1.00 0.00 H new ATOM 0 HD3 ARG A 72 12.160 10.292 -4.542 1.00 0.00 H new ATOM 0 HE ARG A 72 9.461 11.404 -4.951 1.00 0.00 H new ATOM 0 HH11 ARG A 72 12.934 11.755 -5.458 1.00 0.00 H new ATOM 0 HH12 ARG A 72 12.839 13.494 -5.753 1.00 0.00 H new ATOM 0 HH21 ARG A 72 9.352 13.640 -5.331 1.00 0.00 H new ATOM 0 HH22 ARG A 72 10.820 14.558 -5.682 1.00 0.00 H new ATOM 1150 N PRO A 73 14.965 6.514 -4.743 1.00 0.00 N0 ATOM 1151 CA PRO A 73 15.535 5.212 -4.416 1.00 0.00 C0 ATOM 1152 C PRO A 73 14.519 4.331 -3.700 1.00 0.00 C0 ATOM 1153 O PRO A 73 14.459 3.124 -3.932 1.00 0.00 O0 ATOM 1154 CB PRO A 73 16.713 5.572 -3.505 1.00 0.00 C0 ATOM 1155 CG PRO A 73 17.126 6.930 -3.960 1.00 0.00 C0 ATOM 1156 CD PRO A 73 15.830 7.628 -4.277 1.00 0.00 C0 ATOM 0 HA PRO A 73 15.836 4.639 -5.293 1.00 0.00 H new ATOM 0 HB2 PRO A 73 16.418 5.576 -2.456 1.00 0.00 H new ATOM 0 HB3 PRO A 73 17.527 4.854 -3.604 1.00 0.00 H new ATOM 0 HG2 PRO A 73 17.682 7.457 -3.185 1.00 0.00 H new ATOM 0 HG3 PRO A 73 17.773 6.876 -4.836 1.00 0.00 H new ATOM 0 HD2 PRO A 73 15.413 8.125 -3.401 1.00 0.00 H new ATOM 0 HD3 PRO A 73 15.958 8.390 -5.046 1.00 0.00 H new ATOM 1164 N ASP A 74 13.724 4.942 -2.828 1.00 0.00 N0 ATOM 1165 CA ASP A 74 12.734 4.207 -2.049 1.00 0.00 C0 ATOM 1166 C ASP A 74 11.689 3.565 -2.952 1.00 0.00 C0 ATOM 1167 O ASP A 74 11.328 2.402 -2.771 1.00 0.00 O0 ATOM 1168 CB ASP A 74 12.048 5.133 -1.042 1.00 0.00 C0 ATOM 1169 CG ASP A 74 12.963 5.547 0.103 1.00 0.00 C0 ATOM 1170 OD1 ASP A 74 13.980 4.919 0.279 1.00 0.00 O0 ATOM 1171 OD2 ASP A 74 12.635 6.485 0.789 1.00 0.00 O1- ATOM 0 H ASP A 74 13.746 5.945 -2.643 1.00 0.00 H new ATOM 0 HA ASP A 74 13.257 3.417 -1.510 1.00 0.00 H new ATOM 0 HB2 ASP A 74 11.695 6.025 -1.559 1.00 0.00 H new ATOM 0 HB3 ASP A 74 11.170 4.632 -0.635 1.00 0.00 H new ATOM 1176 N LEU A 75 11.206 4.329 -3.926 1.00 0.00 N0 ATOM 1177 CA LEU A 75 10.189 3.842 -4.849 1.00 0.00 C0 ATOM 1178 C LEU A 75 10.778 2.851 -5.845 1.00 0.00 C0 ATOM 1179 O LEU A 75 10.107 1.909 -6.269 1.00 0.00 O0 ATOM 1180 CB LEU A 75 9.552 5.016 -5.603 1.00 0.00 C0 ATOM 1181 CG LEU A 75 8.698 5.967 -4.755 1.00 0.00 C0 ATOM 1182 CD1 LEU A 75 8.223 7.129 -5.616 1.00 0.00 C0 ATOM 1183 CD2 LEU A 75 7.520 5.205 -4.167 1.00 0.00 C0 ATOM 0 H LEU A 75 11.504 5.290 -4.096 1.00 0.00 H new ATOM 0 HA LEU A 75 9.425 3.329 -4.265 1.00 0.00 H new ATOM 0 HB2 LEU A 75 10.346 5.594 -6.075 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.930 4.615 -6.403 1.00 0.00 H new ATOM 0 HG LEU A 75 9.292 6.368 -3.934 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.616 7.804 -5.013 1.00 0.00 H new ATOM 0 HD12 LEU A 75 9.086 7.668 -6.008 1.00 0.00 H new ATOM 0 HD13 LEU A 75 7.627 6.748 -6.445 1.00 0.00 H new ATOM 0 HD21 LEU A 75 6.913 5.881 -3.564 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.913 4.794 -4.974 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.888 4.393 -3.541 1.00 0.00 H new ATOM 1195 N LEU A 76 12.035 3.068 -6.215 1.00 0.00 N0 ATOM 1196 CA LEU A 76 12.744 2.148 -7.096 1.00 0.00 C0 ATOM 1197 C LEU A 76 12.840 0.759 -6.479 1.00 0.00 C0 ATOM 1198 O LEU A 76 12.669 -0.249 -7.164 1.00 0.00 O0 ATOM 1199 CB LEU A 76 14.151 2.679 -7.395 1.00 0.00 C0 ATOM 1200 CG LEU A 76 14.222 3.864 -8.369 1.00 0.00 C0 ATOM 1201 CD1 LEU A 76 15.633 4.435 -8.372 1.00 0.00 C0 ATOM 1202 CD2 LEU A 76 13.817 3.402 -9.760 1.00 0.00 C0 ATOM 0 H LEU A 76 12.585 3.874 -5.918 1.00 0.00 H new ATOM 0 HA LEU A 76 12.180 2.073 -8.026 1.00 0.00 H new ATOM 0 HB2 LEU A 76 14.614 2.977 -6.455 1.00 0.00 H new ATOM 0 HB3 LEU A 76 14.749 1.863 -7.800 1.00 0.00 H new ATOM 0 HG LEU A 76 13.534 4.648 -8.053 1.00 0.00 H new ATOM 0 HD11 LEU A 76 15.684 5.276 -9.063 1.00 0.00 H new ATOM 0 HD12 LEU A 76 15.890 4.774 -7.369 1.00 0.00 H new ATOM 0 HD13 LEU A 76 16.337 3.664 -8.686 1.00 0.00 H new ATOM 0 HD21 LEU A 76 13.867 4.243 -10.452 1.00 0.00 H new ATOM 0 HD22 LEU A 76 14.495 2.616 -10.094 1.00 0.00 H new ATOM 0 HD23 LEU A 76 12.798 3.015 -9.733 1.00 0.00 H new ATOM 1214 N THR A 77 13.115 0.712 -5.179 1.00 0.00 N0 ATOM 1215 CA THR A 77 13.100 -0.544 -4.437 1.00 0.00 C0 ATOM 1216 C THR A 77 11.721 -1.188 -4.474 1.00 0.00 C0 ATOM 1217 O THR A 77 11.595 -2.401 -4.644 1.00 0.00 O0 ATOM 1218 CB THR A 77 13.531 -0.328 -2.975 1.00 0.00 C0 ATOM 1219 OG1 THR A 77 14.873 0.172 -2.939 1.00 0.00 O0 ATOM 1220 CG2 THR A 77 13.460 -1.636 -2.200 1.00 0.00 C0 ATOM 0 H THR A 77 13.351 1.530 -4.617 1.00 0.00 H new ATOM 0 HA THR A 77 13.812 -1.213 -4.919 1.00 0.00 H new ATOM 0 HB THR A 77 12.855 0.393 -2.515 1.00 0.00 H new ATOM 0 HG1 THR A 77 14.882 1.106 -3.235 1.00 0.00 H new ATOM 0 HG21 THR A 77 13.768 -1.465 -1.169 1.00 0.00 H new ATOM 0 HG22 THR A 77 12.437 -2.013 -2.216 1.00 0.00 H new ATOM 0 HG23 THR A 77 14.124 -2.368 -2.660 1.00 0.00 H new ATOM 1228 N MET A 78 10.686 -0.369 -4.315 1.00 0.00 N0 ATOM 1229 CA MET A 78 9.311 -0.854 -4.361 1.00 0.00 C0 ATOM 1230 C MET A 78 8.964 -1.398 -5.740 1.00 0.00 C0 ATOM 1231 O MET A 78 8.243 -2.387 -5.865 1.00 0.00 O0 ATOM 1232 CB MET A 78 8.346 0.262 -3.970 1.00 0.00 C0 ATOM 1233 CG MET A 78 8.425 0.681 -2.508 1.00 0.00 C0 ATOM 1234 SD MET A 78 7.452 2.158 -2.154 1.00 0.00 S0 ATOM 1235 CE MET A 78 5.789 1.516 -2.327 1.00 0.00 C0 ATOM 0 H MET A 78 10.774 0.634 -4.153 1.00 0.00 H new ATOM 0 HA MET A 78 9.216 -1.671 -3.646 1.00 0.00 H new ATOM 0 HB2 MET A 78 8.544 1.132 -4.596 1.00 0.00 H new ATOM 0 HB3 MET A 78 7.328 -0.062 -4.188 1.00 0.00 H new ATOM 0 HG2 MET A 78 8.076 -0.139 -1.880 1.00 0.00 H new ATOM 0 HG3 MET A 78 9.466 0.864 -2.243 1.00 0.00 H new ATOM 0 HE1 MET A 78 5.073 2.263 -1.984 1.00 0.00 H new ATOM 0 HE2 MET A 78 5.596 1.282 -3.374 1.00 0.00 H new ATOM 0 HE3 MET A 78 5.684 0.611 -1.728 1.00 0.00 H new ATOM 1245 N VAL A 79 9.483 -0.747 -6.775 1.00 0.00 N0 ATOM 1246 CA VAL A 79 9.307 -1.217 -8.144 1.00 0.00 C0 ATOM 1247 C VAL A 79 9.881 -2.616 -8.324 1.00 0.00 C0 ATOM 1248 O VAL A 79 9.252 -3.481 -8.933 1.00 0.00 O0 ATOM 1249 CB VAL A 79 9.990 -0.254 -9.133 1.00 0.00 C0 ATOM 1250 CG1 VAL A 79 10.109 -0.896 -10.506 1.00 0.00 C0 ATOM 1251 CG2 VAL A 79 9.208 1.049 -9.212 1.00 0.00 C0 ATOM 0 H VAL A 79 10.030 0.110 -6.692 1.00 0.00 H new ATOM 0 HA VAL A 79 8.237 -1.250 -8.347 1.00 0.00 H new ATOM 0 HB VAL A 79 10.996 -0.035 -8.775 1.00 0.00 H new ATOM 0 HG11 VAL A 79 10.594 -0.201 -11.192 1.00 0.00 H new ATOM 0 HG12 VAL A 79 10.703 -1.807 -10.432 1.00 0.00 H new ATOM 0 HG13 VAL A 79 9.115 -1.141 -10.880 1.00 0.00 H new ATOM 0 HG21 VAL A 79 9.697 1.725 -9.913 1.00 0.00 H new ATOM 0 HG22 VAL A 79 8.193 0.844 -9.553 1.00 0.00 H new ATOM 0 HG23 VAL A 79 9.173 1.512 -8.226 1.00 0.00 H new ATOM 1261 N VAL A 80 11.078 -2.831 -7.790 1.00 0.00 N0 ATOM 1262 CA VAL A 80 11.731 -4.133 -7.873 1.00 0.00 C0 ATOM 1263 C VAL A 80 10.882 -5.217 -7.221 1.00 0.00 C0 ATOM 1264 O VAL A 80 10.668 -6.283 -7.798 1.00 0.00 O0 ATOM 1265 CB VAL A 80 13.110 -4.084 -7.189 1.00 0.00 C0 ATOM 1266 CG1 VAL A 80 13.689 -5.484 -7.056 1.00 0.00 C0 ATOM 1267 CG2 VAL A 80 14.048 -3.185 -7.980 1.00 0.00 C0 ATOM 0 H VAL A 80 11.617 -2.120 -7.295 1.00 0.00 H new ATOM 0 HA VAL A 80 11.855 -4.375 -8.929 1.00 0.00 H new ATOM 0 HB VAL A 80 12.993 -3.671 -6.187 1.00 0.00 H new ATOM 0 HG11 VAL A 80 14.663 -5.430 -6.571 1.00 0.00 H new ATOM 0 HG12 VAL A 80 13.018 -6.100 -6.456 1.00 0.00 H new ATOM 0 HG13 VAL A 80 13.801 -5.927 -8.046 1.00 0.00 H new ATOM 0 HG21 VAL A 80 15.022 -3.155 -7.491 1.00 0.00 H new ATOM 0 HG22 VAL A 80 14.162 -3.577 -8.991 1.00 0.00 H new ATOM 0 HG23 VAL A 80 13.634 -2.178 -8.026 1.00 0.00 H new ATOM 1277 N ASP A 81 10.401 -4.938 -6.014 1.00 0.00 N0 ATOM 1278 CA ASP A 81 9.574 -5.890 -5.281 1.00 0.00 C0 ATOM 1279 C ASP A 81 8.229 -6.093 -5.966 1.00 0.00 C0 ATOM 1280 O ASP A 81 7.726 -7.213 -6.047 1.00 0.00 O0 ATOM 1281 CB ASP A 81 9.353 -5.412 -3.843 1.00 0.00 C0 ATOM 1282 CG ASP A 81 10.608 -5.515 -2.986 1.00 0.00 C0 ATOM 1283 OD1 ASP A 81 11.530 -6.180 -3.394 1.00 0.00 O0 ATOM 1284 OD2 ASP A 81 10.631 -4.927 -1.931 1.00 0.00 O1- ATOM 0 H ASP A 81 10.570 -4.060 -5.523 1.00 0.00 H new ATOM 0 HA ASP A 81 10.102 -6.843 -5.266 1.00 0.00 H new ATOM 0 HB2 ASP A 81 9.013 -4.377 -3.858 1.00 0.00 H new ATOM 0 HB3 ASP A 81 8.558 -6.002 -3.387 1.00 0.00 H new ATOM 1289 N TYR A 82 7.651 -5.003 -6.460 1.00 0.00 N0 ATOM 1290 CA TYR A 82 6.365 -5.060 -7.145 1.00 0.00 C0 ATOM 1291 C TYR A 82 6.471 -5.838 -8.450 1.00 0.00 C0 ATOM 1292 O TYR A 82 5.599 -6.645 -8.776 1.00 0.00 O0 ATOM 1293 CB TYR A 82 5.836 -3.649 -7.409 1.00 0.00 C0 ATOM 1294 CG TYR A 82 4.474 -3.622 -8.067 1.00 0.00 C0 ATOM 1295 CD1 TYR A 82 3.379 -4.172 -7.418 1.00 0.00 C0 ATOM 1296 CD2 TYR A 82 4.321 -3.045 -9.319 1.00 0.00 C0 ATOM 1297 CE1 TYR A 82 2.136 -4.148 -8.019 1.00 0.00 C0 ATOM 1298 CE2 TYR A 82 3.077 -3.020 -9.920 1.00 0.00 C0 ATOM 1299 CZ TYR A 82 1.988 -3.568 -9.274 1.00 0.00 C0 ATOM 1300 OH TYR A 82 0.748 -3.543 -9.872 1.00 0.00 O0 ATOM 0 H TYR A 82 8.054 -4.068 -6.398 1.00 0.00 H new ATOM 0 HA TYR A 82 5.662 -5.583 -6.496 1.00 0.00 H new ATOM 0 HB2 TYR A 82 5.784 -3.108 -6.464 1.00 0.00 H new ATOM 0 HB3 TYR A 82 6.546 -3.117 -8.042 1.00 0.00 H new ATOM 0 HD1 TYR A 82 3.498 -4.619 -6.442 1.00 0.00 H new ATOM 0 HD2 TYR A 82 5.174 -2.616 -9.824 1.00 0.00 H new ATOM 0 HE1 TYR A 82 1.282 -4.578 -7.516 1.00 0.00 H new ATOM 0 HE2 TYR A 82 2.957 -2.572 -10.895 1.00 0.00 H new ATOM 0 HH TYR A 82 0.841 -3.742 -10.827 1.00 0.00 H new ATOM 1310 N ARG A 83 7.543 -5.592 -9.195 1.00 0.00 N0 ATOM 1311 CA ARG A 83 7.798 -6.317 -10.434 1.00 0.00 C0 ATOM 1312 C ARG A 83 7.842 -7.820 -10.194 1.00 0.00 C0 ATOM 1313 O ARG A 83 7.281 -8.598 -10.965 1.00 0.00 O0 ATOM 1314 CB ARG A 83 9.112 -5.867 -11.056 1.00 0.00 C0 ATOM 1315 CG ARG A 83 9.433 -6.502 -12.400 1.00 0.00 C0 ATOM 1316 CD ARG A 83 10.569 -5.820 -13.071 1.00 0.00 C0 ATOM 1317 NE ARG A 83 10.236 -4.458 -13.454 1.00 0.00 N0 ATOM 1318 CZ ARG A 83 11.137 -3.476 -13.652 1.00 0.00 C0 ATOM 1319 NH1 ARG A 83 12.420 -3.721 -13.500 1.00 0.00 N1+ ATOM 1320 NH2 ARG A 83 10.732 -2.267 -14.000 1.00 0.00 N0 ATOM 0 H ARG A 83 8.250 -4.895 -8.962 1.00 0.00 H new ATOM 0 HA ARG A 83 6.979 -6.095 -11.118 1.00 0.00 H new ATOM 0 HB2 ARG A 83 9.088 -4.784 -11.178 1.00 0.00 H new ATOM 0 HB3 ARG A 83 9.922 -6.091 -10.362 1.00 0.00 H new ATOM 0 HG2 ARG A 83 9.674 -7.555 -12.257 1.00 0.00 H new ATOM 0 HG3 ARG A 83 8.553 -6.461 -13.042 1.00 0.00 H new ATOM 0 HD2 ARG A 83 11.431 -5.809 -12.403 1.00 0.00 H new ATOM 0 HD3 ARG A 83 10.859 -6.385 -13.957 1.00 0.00 H new ATOM 0 HE ARG A 83 9.250 -4.229 -13.582 1.00 0.00 H new ATOM 0 HH11 ARG A 83 12.733 -4.654 -13.232 1.00 0.00 H new ATOM 0 HH12 ARG A 83 13.102 -2.978 -13.650 1.00 0.00 H new ATOM 0 HH21 ARG A 83 9.737 -2.077 -14.119 1.00 0.00 H new ATOM 0 HH22 ARG A 83 11.415 -1.524 -14.150 1.00 0.00 H new ATOM 1334 N THR A 84 8.512 -8.223 -9.120 1.00 0.00 N0 ATOM 1335 CA THR A 84 8.548 -9.625 -8.720 1.00 0.00 C0 ATOM 1336 C THR A 84 7.142 -10.173 -8.507 1.00 0.00 C0 ATOM 1337 O THR A 84 6.822 -11.276 -8.949 1.00 0.00 O0 ATOM 1338 CB THR A 84 9.378 -9.815 -7.437 1.00 0.00 C0 ATOM 1339 OG1 THR A 84 10.729 -9.399 -7.673 1.00 0.00 O0 ATOM 1340 CG2 THR A 84 9.367 -11.274 -7.007 1.00 0.00 C0 ATOM 0 H THR A 84 9.038 -7.598 -8.510 1.00 0.00 H new ATOM 0 HA THR A 84 9.021 -10.180 -9.530 1.00 0.00 H new ATOM 0 HB THR A 84 8.938 -9.210 -6.644 1.00 0.00 H new ATOM 0 HG1 THR A 84 10.769 -8.420 -7.707 1.00 0.00 H new ATOM 0 HG21 THR A 84 9.958 -11.390 -6.099 1.00 0.00 H new ATOM 0 HG22 THR A 84 8.341 -11.589 -6.815 1.00 0.00 H new ATOM 0 HG23 THR A 84 9.793 -11.890 -7.799 1.00 0.00 H new ATOM 1348 N ARG A 85 6.307 -9.395 -7.826 1.00 0.00 N0 ATOM 1349 CA ARG A 85 4.918 -9.774 -7.602 1.00 0.00 C0 ATOM 1350 C ARG A 85 4.180 -9.969 -8.920 1.00 0.00 C0 ATOM 1351 O ARG A 85 3.440 -10.938 -9.092 1.00 0.00 O0 ATOM 1352 CB ARG A 85 4.201 -8.718 -6.774 1.00 0.00 C0 ATOM 1353 CG ARG A 85 4.668 -8.611 -5.331 1.00 0.00 C0 ATOM 1354 CD ARG A 85 4.027 -7.469 -4.630 1.00 0.00 C0 ATOM 1355 NE ARG A 85 4.571 -7.278 -3.295 1.00 0.00 N0 ATOM 1356 CZ ARG A 85 4.522 -6.121 -2.608 1.00 0.00 C0 ATOM 1357 NH1 ARG A 85 3.951 -5.063 -3.140 1.00 0.00 N1+ ATOM 1358 NH2 ARG A 85 5.048 -6.048 -1.396 1.00 0.00 N0 ATOM 0 H ARG A 85 6.569 -8.497 -7.419 1.00 0.00 H new ATOM 0 HA ARG A 85 4.921 -10.719 -7.059 1.00 0.00 H new ATOM 0 HB2 ARG A 85 4.331 -7.749 -7.256 1.00 0.00 H new ATOM 0 HB3 ARG A 85 3.133 -8.936 -6.780 1.00 0.00 H new ATOM 0 HG2 ARG A 85 4.438 -9.537 -4.804 1.00 0.00 H new ATOM 0 HG3 ARG A 85 5.751 -8.491 -5.307 1.00 0.00 H new ATOM 0 HD2 ARG A 85 4.169 -6.559 -5.213 1.00 0.00 H new ATOM 0 HD3 ARG A 85 2.953 -7.641 -4.563 1.00 0.00 H new ATOM 0 HE ARG A 85 5.021 -8.076 -2.848 1.00 0.00 H new ATOM 0 HH11 ARG A 85 3.545 -5.118 -4.074 1.00 0.00 H new ATOM 0 HH12 ARG A 85 3.914 -4.187 -2.619 1.00 0.00 H new ATOM 0 HH21 ARG A 85 5.491 -6.868 -0.982 1.00 0.00 H new ATOM 0 HH22 ARG A 85 5.011 -5.171 -0.876 1.00 0.00 H new ATOM 1372 N VAL A 86 4.386 -9.041 -9.850 1.00 0.00 N0 ATOM 1373 CA VAL A 86 3.750 -9.115 -11.159 1.00 0.00 C0 ATOM 1374 C VAL A 86 4.192 -10.359 -11.917 1.00 0.00 C0 ATOM 1375 O VAL A 86 3.390 -11.007 -12.590 1.00 0.00 O0 ATOM 1376 CB VAL A 86 4.092 -7.864 -11.990 1.00 0.00 C0 ATOM 1377 CG1 VAL A 86 3.618 -8.032 -13.427 1.00 0.00 C0 ATOM 1378 CG2 VAL A 86 3.462 -6.632 -11.356 1.00 0.00 C0 ATOM 0 H VAL A 86 4.989 -8.229 -9.720 1.00 0.00 H new ATOM 0 HA VAL A 86 2.673 -9.167 -11.001 1.00 0.00 H new ATOM 0 HB VAL A 86 5.174 -7.735 -12.004 1.00 0.00 H new ATOM 0 HG11 VAL A 86 3.868 -7.139 -13.999 1.00 0.00 H new ATOM 0 HG12 VAL A 86 4.108 -8.898 -13.873 1.00 0.00 H new ATOM 0 HG13 VAL A 86 2.538 -8.180 -13.439 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.708 -5.751 -11.949 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.379 -6.754 -11.320 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.847 -6.507 -10.344 1.00 0.00 H new ATOM 1388 N LEU A 87 5.474 -10.691 -11.804 1.00 0.00 N0 ATOM 1389 CA LEU A 87 6.017 -11.885 -12.443 1.00 0.00 C0 ATOM 1390 C LEU A 87 5.411 -13.150 -11.850 1.00 0.00 C0 ATOM 1391 O LEU A 87 5.197 -14.136 -12.556 1.00 0.00 O0 ATOM 1392 CB LEU A 87 7.542 -11.920 -12.290 1.00 0.00 C0 ATOM 1393 CG LEU A 87 8.315 -10.854 -13.079 1.00 0.00 C0 ATOM 1394 CD1 LEU A 87 9.783 -10.889 -12.676 1.00 0.00 C0 ATOM 1395 CD2 LEU A 87 8.151 -11.108 -14.570 1.00 0.00 C0 ATOM 0 H LEU A 87 6.157 -10.149 -11.275 1.00 0.00 H new ATOM 0 HA LEU A 87 5.760 -11.845 -13.502 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.785 -11.811 -11.233 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.897 -12.903 -12.599 1.00 0.00 H new ATOM 0 HG LEU A 87 7.920 -9.863 -12.853 1.00 0.00 H new ATOM 0 HD11 LEU A 87 10.332 -10.132 -13.236 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.872 -10.687 -11.609 1.00 0.00 H new ATOM 0 HD13 LEU A 87 10.197 -11.873 -12.894 1.00 0.00 H new ATOM 0 HD21 LEU A 87 8.700 -10.351 -15.131 1.00 0.00 H new ATOM 0 HD22 LEU A 87 8.541 -12.096 -14.816 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.094 -11.059 -14.833 1.00 0.00 H new