USER MOD reduce.3.24.130724 H: found=0, std=0, add=500, rem=0, adj=15 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 78 MET CE :methyl 178:sc= -0.069 (180deg=-0.0907) USER MOD Set 1.2: A 82 TYR OH : rot 30:sc= -0.0135 USER MOD Single : A 27 CYS SG : rot -161:sc= 0.327 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot -43:sc= 1.23 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -119:sc= 0.394 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -38:sc= 1.24 USER MOD Single : A 51 SER OG : rot 70:sc= 1.23 USER MOD Single : A 52 HIS : no HD1:sc= -0.0568 X(o=-0.057,f=-0.038) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= 0.753 K(o=0.75,f=-1.7!) USER MOD Single : A 61 SER OG : rot -32:sc= 1.22 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 85:sc= 0.963 USER MOD Single : A 77 THR OG1 : rot 75:sc= 0.16 USER MOD Single : A 84 THR OG1 : rot -11:sc= 1.13 USER MOD ----------------------------------------------------------------- ATOM 397 N ALA A 26 -2.099 6.814 -19.275 1.00 0.00 N0 ATOM 398 CA ALA A 26 -1.859 5.377 -19.209 1.00 0.00 C0 ATOM 399 C ALA A 26 -2.680 4.731 -18.101 1.00 0.00 C0 ATOM 400 O ALA A 26 -3.225 3.641 -18.273 1.00 0.00 O0 ATOM 401 CB ALA A 26 -0.378 5.097 -19.002 1.00 0.00 C0 ATOM 0 HA ALA A 26 -2.172 4.940 -20.157 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.214 4.020 -18.955 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.191 5.514 -19.833 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.048 5.555 -18.070 1.00 0.00 H new ATOM 407 N CYS A 27 -2.764 5.410 -16.962 1.00 0.00 N0 ATOM 408 CA CYS A 27 -3.516 4.902 -15.821 1.00 0.00 C0 ATOM 409 C CYS A 27 -4.999 5.230 -15.948 1.00 0.00 C0 ATOM 410 O CYS A 27 -5.844 4.568 -15.346 1.00 0.00 O0 ATOM 411 CB CYS A 27 -2.979 5.491 -14.516 1.00 0.00 C0 ATOM 412 SG CYS A 27 -1.262 5.049 -14.158 1.00 0.00 S0 ATOM 0 H CYS A 27 -2.320 6.315 -16.805 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.395 3.819 -15.807 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -3.062 6.577 -14.559 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -3.609 5.155 -13.692 1.00 0.00 H new ATOM 0 HG CYS A 27 -1.017 5.245 -12.896 1.00 0.00 H new ATOM 418 N LYS A 28 -5.307 6.255 -16.734 1.00 0.00 N0 ATOM 419 CA LYS A 28 -6.688 6.682 -16.930 1.00 0.00 C0 ATOM 420 C LYS A 28 -7.532 5.560 -17.521 1.00 0.00 C0 ATOM 421 O LYS A 28 -8.749 5.524 -17.338 1.00 0.00 O0 ATOM 422 CB LYS A 28 -6.744 7.914 -17.834 1.00 0.00 C0 ATOM 423 CG LYS A 28 -8.145 8.467 -18.058 1.00 0.00 C0 ATOM 424 CD LYS A 28 -8.109 9.755 -18.866 1.00 0.00 C0 ATOM 425 CE LYS A 28 -9.510 10.296 -19.111 1.00 0.00 C0 ATOM 426 NZ LYS A 28 -9.491 11.550 -19.911 1.00 0.00 N1+ ATOM 0 H LYS A 28 -4.619 6.806 -17.246 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.099 6.940 -15.954 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.123 8.697 -17.399 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.308 7.661 -18.800 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.752 7.726 -18.578 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.623 8.652 -17.096 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.516 10.502 -18.337 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.615 9.574 -19.821 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.103 9.544 -19.630 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.999 10.483 -18.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.465 11.885 -20.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.946 12.277 -19.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.048 11.366 -20.834 1.00 0.00 H new ATOM 440 N GLU A 29 -6.879 4.645 -18.229 1.00 0.00 N0 ATOM 441 CA GLU A 29 -7.575 3.543 -18.883 1.00 0.00 C0 ATOM 442 C GLU A 29 -8.359 2.711 -17.876 1.00 0.00 C0 ATOM 443 O GLU A 29 -9.400 2.142 -18.203 1.00 0.00 O0 ATOM 444 CB GLU A 29 -6.579 2.652 -19.629 1.00 0.00 C0 ATOM 445 CG GLU A 29 -5.952 3.299 -20.856 1.00 0.00 C0 ATOM 446 CD GLU A 29 -4.988 2.392 -21.568 1.00 0.00 C0 ATOM 447 OE1 GLU A 29 -4.670 1.357 -21.033 1.00 0.00 O0 ATOM 448 OE2 GLU A 29 -4.569 2.734 -22.649 1.00 0.00 O1- ATOM 0 H GLU A 29 -5.868 4.645 -18.365 1.00 0.00 H new ATOM 0 HA GLU A 29 -8.279 3.971 -19.597 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.785 2.361 -18.941 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.087 1.737 -19.935 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -6.741 3.596 -21.547 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.432 4.209 -20.555 1.00 0.00 H new ATOM 455 N ASP A 30 -7.853 2.646 -16.649 1.00 0.00 N0 ATOM 456 CA ASP A 30 -8.482 1.848 -15.603 1.00 0.00 C0 ATOM 457 C ASP A 30 -9.127 2.736 -14.546 1.00 0.00 C0 ATOM 458 O ASP A 30 -10.141 2.371 -13.951 1.00 0.00 O0 ATOM 459 CB ASP A 30 -7.456 0.923 -14.944 1.00 0.00 C0 ATOM 460 CG ASP A 30 -6.901 -0.124 -15.900 1.00 0.00 C0 ATOM 461 OD1 ASP A 30 -7.645 -0.600 -16.725 1.00 0.00 O0 ATOM 462 OD2 ASP A 30 -5.739 -0.438 -15.797 1.00 0.00 O1- ATOM 0 H ASP A 30 -7.009 3.137 -16.354 1.00 0.00 H new ATOM 0 HA ASP A 30 -9.261 1.245 -16.070 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.634 1.522 -14.552 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.919 0.422 -14.094 1.00 0.00 H new ATOM 467 N ILE A 31 -8.533 3.902 -14.318 1.00 0.00 N0 ATOM 468 CA ILE A 31 -9.036 4.834 -13.316 1.00 0.00 C0 ATOM 469 C ILE A 31 -10.307 5.524 -13.793 1.00 0.00 C0 ATOM 470 O ILE A 31 -10.357 6.056 -14.902 1.00 0.00 O0 ATOM 471 CB ILE A 31 -7.974 5.895 -12.970 1.00 0.00 C0 ATOM 472 CG1 ILE A 31 -6.760 5.238 -12.308 1.00 0.00 C0 ATOM 473 CG2 ILE A 31 -8.565 6.964 -12.065 1.00 0.00 C0 ATOM 474 CD1 ILE A 31 -5.591 6.176 -12.111 1.00 0.00 C0 ATOM 0 H ILE A 31 -7.702 4.224 -14.814 1.00 0.00 H new ATOM 0 HA ILE A 31 -9.266 4.255 -12.422 1.00 0.00 H new ATOM 0 HB ILE A 31 -7.646 6.372 -13.894 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -7.059 4.836 -11.340 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -6.438 4.394 -12.918 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -7.801 7.705 -11.831 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -9.399 7.450 -12.572 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -8.920 6.504 -11.142 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.769 5.639 -11.637 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -5.264 6.559 -13.078 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -5.895 7.008 -11.476 1.00 0.00 H new ATOM 486 N PRO A 32 -11.334 5.512 -12.950 1.00 0.00 N0 ATOM 487 CA PRO A 32 -12.602 6.152 -13.278 1.00 0.00 C0 ATOM 488 C PRO A 32 -12.395 7.600 -13.702 1.00 0.00 C0 ATOM 489 O PRO A 32 -11.553 8.306 -13.146 1.00 0.00 O0 ATOM 490 CB PRO A 32 -13.387 6.054 -11.966 1.00 0.00 C0 ATOM 491 CG PRO A 32 -12.858 4.822 -11.314 1.00 0.00 C0 ATOM 492 CD PRO A 32 -11.386 4.835 -11.628 1.00 0.00 C0 ATOM 0 HA PRO A 32 -13.117 5.684 -14.117 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -13.230 6.934 -11.342 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -14.459 5.979 -12.148 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -13.035 4.834 -10.239 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -13.340 3.927 -11.706 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -10.817 5.378 -10.873 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -10.974 3.827 -11.674 1.00 0.00 H new ATOM 500 N SER A 33 -13.168 8.038 -14.690 1.00 0.00 N0 ATOM 501 CA SER A 33 -12.991 9.364 -15.271 1.00 0.00 C0 ATOM 502 C SER A 33 -13.163 10.453 -14.220 1.00 0.00 C0 ATOM 503 O SER A 33 -12.565 11.525 -14.319 1.00 0.00 O0 ATOM 504 CB SER A 33 -13.983 9.576 -16.398 1.00 0.00 C0 ATOM 505 OG SER A 33 -15.296 9.618 -15.911 1.00 0.00 O0 ATOM 0 H SER A 33 -13.924 7.494 -15.106 1.00 0.00 H new ATOM 0 HA SER A 33 -11.977 9.426 -15.665 1.00 0.00 H new ATOM 0 HB2 SER A 33 -13.754 10.506 -16.918 1.00 0.00 H new ATOM 0 HB3 SER A 33 -13.888 8.771 -17.127 1.00 0.00 H new ATOM 0 HG SER A 33 -15.917 9.757 -16.656 1.00 0.00 H new ATOM 511 N GLU A 34 -13.983 10.172 -13.213 1.00 0.00 N0 ATOM 512 CA GLU A 34 -14.194 11.107 -12.114 1.00 0.00 C0 ATOM 513 C GLU A 34 -12.915 11.315 -11.313 1.00 0.00 C0 ATOM 514 O GLU A 34 -12.685 12.390 -10.760 1.00 0.00 O0 ATOM 515 CB GLU A 34 -15.308 10.604 -11.192 1.00 0.00 C0 ATOM 516 CG GLU A 34 -16.696 10.626 -11.815 1.00 0.00 C0 ATOM 517 CD GLU A 34 -17.757 10.082 -10.899 1.00 0.00 C0 ATOM 518 OE1 GLU A 34 -17.412 9.550 -9.871 1.00 0.00 O0 ATOM 519 OE2 GLU A 34 -18.914 10.199 -11.227 1.00 0.00 O1- ATOM 0 H GLU A 34 -14.513 9.304 -13.135 1.00 0.00 H new ATOM 0 HA GLU A 34 -14.489 12.064 -12.544 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -15.077 9.584 -10.885 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -15.319 11.214 -10.289 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -16.950 11.650 -12.089 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -16.685 10.043 -12.736 1.00 0.00 H new ATOM 526 N LYS A 35 -12.084 10.279 -11.256 1.00 0.00 N0 ATOM 527 CA LYS A 35 -10.834 10.340 -10.508 1.00 0.00 C0 ATOM 528 C LYS A 35 -9.665 10.700 -11.415 1.00 0.00 C0 ATOM 529 O LYS A 35 -8.603 11.107 -10.944 1.00 0.00 O0 ATOM 530 CB LYS A 35 -10.565 9.008 -9.806 1.00 0.00 C0 ATOM 531 CG LYS A 35 -11.601 8.628 -8.757 1.00 0.00 C0 ATOM 532 CD LYS A 35 -11.685 9.677 -7.658 1.00 0.00 C0 ATOM 533 CE LYS A 35 -12.669 9.266 -6.573 1.00 0.00 C0 ATOM 534 NZ LYS A 35 -12.809 10.311 -5.523 1.00 0.00 N1+ ATOM 0 H LYS A 35 -12.254 9.386 -11.720 1.00 0.00 H new ATOM 0 HA LYS A 35 -10.934 11.123 -9.756 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -10.520 8.219 -10.556 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -9.585 9.053 -9.331 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -12.576 8.515 -9.230 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -11.344 7.662 -8.322 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.698 9.826 -7.219 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -11.991 10.631 -8.086 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -13.643 9.070 -7.022 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -12.336 8.334 -6.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -13.488 9.991 -4.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -11.885 10.480 -5.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -13.152 11.193 -5.955 1.00 0.00 H new ATOM 548 N SER A 36 -9.867 10.547 -12.720 1.00 0.00 N0 ATOM 549 CA SER A 36 -8.831 10.858 -13.697 1.00 0.00 C0 ATOM 550 C SER A 36 -8.512 12.348 -13.707 1.00 0.00 C0 ATOM 551 O SER A 36 -7.429 12.758 -14.124 1.00 0.00 O0 ATOM 552 CB SER A 36 -9.268 10.416 -15.080 1.00 0.00 C0 ATOM 553 OG SER A 36 -10.251 11.271 -15.594 1.00 0.00 O0 ATOM 0 H SER A 36 -10.740 10.209 -13.125 1.00 0.00 H new ATOM 0 HA SER A 36 -7.928 10.317 -13.413 1.00 0.00 H new ATOM 0 HB2 SER A 36 -8.408 10.401 -15.749 1.00 0.00 H new ATOM 0 HB3 SER A 36 -9.654 9.398 -15.035 1.00 0.00 H new ATOM 0 HG SER A 36 -10.904 11.477 -14.893 1.00 0.00 H new ATOM 559 N GLU A 37 -9.463 13.154 -13.247 1.00 0.00 N0 ATOM 560 CA GLU A 37 -9.269 14.597 -13.162 1.00 0.00 C0 ATOM 561 C GLU A 37 -8.608 14.988 -11.846 1.00 0.00 C0 ATOM 562 O GLU A 37 -8.251 16.147 -11.641 1.00 0.00 O0 ATOM 563 CB GLU A 37 -10.607 15.324 -13.308 1.00 0.00 C0 ATOM 564 CG GLU A 37 -11.270 15.154 -14.667 1.00 0.00 C0 ATOM 565 CD GLU A 37 -12.566 15.907 -14.785 1.00 0.00 C0 ATOM 566 OE1 GLU A 37 -12.973 16.506 -13.818 1.00 0.00 O0 ATOM 567 OE2 GLU A 37 -13.150 15.884 -15.843 1.00 0.00 O1- ATOM 0 H GLU A 37 -10.377 12.832 -12.927 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.610 14.893 -13.978 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.288 14.964 -12.537 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.451 16.387 -13.124 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.586 15.495 -15.444 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -11.454 14.095 -14.846 1.00 0.00 H new ATOM 574 N GLU A 38 -8.449 14.013 -10.958 1.00 0.00 N0 ATOM 575 CA GLU A 38 -7.841 14.256 -9.655 1.00 0.00 C0 ATOM 576 C GLU A 38 -6.378 13.832 -9.642 1.00 0.00 C0 ATOM 577 O GLU A 38 -5.688 13.979 -8.633 1.00 0.00 O0 ATOM 578 CB GLU A 38 -8.608 13.509 -8.561 1.00 0.00 C0 ATOM 579 CG GLU A 38 -10.050 13.962 -8.383 1.00 0.00 C0 ATOM 580 CD GLU A 38 -10.759 13.236 -7.274 1.00 0.00 C0 ATOM 581 OE1 GLU A 38 -10.142 12.416 -6.637 1.00 0.00 O0 ATOM 582 OE2 GLU A 38 -11.919 13.503 -7.062 1.00 0.00 O1- ATOM 0 H GLU A 38 -8.733 13.046 -11.117 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.890 15.327 -9.459 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -8.600 12.444 -8.792 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.081 13.634 -7.615 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -10.067 15.032 -8.178 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -10.592 13.807 -9.316 1.00 0.00 H new ATOM 589 N ILE A 39 -5.910 13.306 -10.769 1.00 0.00 N0 ATOM 590 CA ILE A 39 -4.521 12.881 -10.896 1.00 0.00 C0 ATOM 591 C ILE A 39 -3.599 14.073 -11.123 1.00 0.00 C0 ATOM 592 O ILE A 39 -3.594 14.670 -12.199 1.00 0.00 O0 ATOM 593 CB ILE A 39 -4.358 11.878 -12.053 1.00 0.00 C0 ATOM 594 CG1 ILE A 39 -5.198 10.625 -11.795 1.00 0.00 C0 ATOM 595 CG2 ILE A 39 -2.893 11.512 -12.237 1.00 0.00 C0 ATOM 596 CD1 ILE A 39 -5.283 9.691 -12.981 1.00 0.00 C0 ATOM 0 H ILE A 39 -6.473 13.164 -11.608 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.243 12.395 -9.961 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.712 12.347 -12.971 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.776 10.084 -10.948 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -6.206 10.927 -11.510 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.796 10.802 -13.059 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.319 12.411 -12.464 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -2.513 11.060 -11.321 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.895 8.827 -12.721 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.734 10.214 -13.824 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.282 9.358 -13.254 1.00 0.00 H new ATOM 608 N THR A 40 -2.820 14.414 -10.102 1.00 0.00 N0 ATOM 609 CA THR A 40 -1.948 15.581 -10.160 1.00 0.00 C0 ATOM 610 C THR A 40 -0.494 15.195 -9.920 1.00 0.00 C0 ATOM 611 O THR A 40 0.421 15.952 -10.246 1.00 0.00 O0 ATOM 612 CB THR A 40 -2.378 16.645 -9.134 1.00 0.00 C0 ATOM 613 OG1 THR A 40 -2.265 16.108 -7.809 1.00 0.00 O0 ATOM 614 CG2 THR A 40 -3.815 17.077 -9.382 1.00 0.00 C0 ATOM 0 H THR A 40 -2.775 13.898 -9.223 1.00 0.00 H new ATOM 0 HA THR A 40 -2.037 16.001 -11.162 1.00 0.00 H new ATOM 0 HB THR A 40 -1.727 17.513 -9.239 1.00 0.00 H new ATOM 0 HG1 THR A 40 -2.537 16.787 -7.157 1.00 0.00 H new ATOM 0 HG21 THR A 40 -4.101 17.829 -8.647 1.00 0.00 H new ATOM 0 HG22 THR A 40 -3.901 17.498 -10.384 1.00 0.00 H new ATOM 0 HG23 THR A 40 -4.475 16.214 -9.293 1.00 0.00 H new ATOM 622 N THR A 41 -0.288 14.014 -9.348 1.00 0.00 N0 ATOM 623 CA THR A 41 1.050 13.562 -8.985 1.00 0.00 C0 ATOM 624 C THR A 41 1.130 12.041 -8.962 1.00 0.00 C0 ATOM 625 O THR A 41 0.214 11.355 -9.415 1.00 0.00 O0 ATOM 626 CB THR A 41 1.473 14.123 -7.615 1.00 0.00 C0 ATOM 627 OG1 THR A 41 2.864 13.857 -7.395 1.00 0.00 O0 ATOM 628 CG2 THR A 41 0.656 13.485 -6.502 1.00 0.00 C0 ATOM 0 H THR A 41 -1.031 13.352 -9.126 1.00 0.00 H new ATOM 0 HA THR A 41 1.734 13.938 -9.746 1.00 0.00 H new ATOM 0 HB THR A 41 1.297 15.199 -7.610 1.00 0.00 H new ATOM 0 HG1 THR A 41 2.968 13.296 -6.598 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.969 13.894 -5.541 1.00 0.00 H new ATOM 0 HG22 THR A 41 -0.402 13.697 -6.660 1.00 0.00 H new ATOM 0 HG23 THR A 41 0.815 12.407 -6.507 1.00 0.00 H new ATOM 636 N GLY A 42 2.231 11.520 -8.431 1.00 0.00 N0 ATOM 637 CA GLY A 42 2.499 10.087 -8.476 1.00 0.00 C0 ATOM 638 C GLY A 42 1.540 9.319 -7.575 1.00 0.00 C0 ATOM 639 O GLY A 42 0.889 8.370 -8.012 1.00 0.00 O0 ATOM 0 H GLY A 42 2.953 12.069 -7.964 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.405 9.729 -9.501 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.526 9.896 -8.165 1.00 0.00 H new ATOM 643 N SER A 43 1.458 9.735 -6.316 1.00 0.00 N0 ATOM 644 CA SER A 43 0.648 9.033 -5.329 1.00 0.00 C0 ATOM 645 C SER A 43 -0.835 9.127 -5.665 1.00 0.00 C0 ATOM 646 O SER A 43 -1.646 8.350 -5.161 1.00 0.00 O0 ATOM 647 CB SER A 43 0.899 9.603 -3.946 1.00 0.00 C0 ATOM 648 OG SER A 43 0.416 10.915 -3.849 1.00 0.00 O0 ATOM 0 H SER A 43 1.944 10.556 -5.955 1.00 0.00 H new ATOM 0 HA SER A 43 0.936 7.982 -5.345 1.00 0.00 H new ATOM 0 HB2 SER A 43 0.414 8.977 -3.197 1.00 0.00 H new ATOM 0 HB3 SER A 43 1.967 9.588 -3.731 1.00 0.00 H new ATOM 0 HG SER A 43 0.587 11.261 -2.948 1.00 0.00 H new ATOM 654 N ALA A 44 -1.183 10.083 -6.520 1.00 0.00 N0 ATOM 655 CA ALA A 44 -2.569 10.277 -6.930 1.00 0.00 C0 ATOM 656 C ALA A 44 -3.106 9.049 -7.653 1.00 0.00 C0 ATOM 657 O ALA A 44 -3.964 8.336 -7.133 1.00 0.00 O0 ATOM 658 CB ALA A 44 -2.692 11.509 -7.815 1.00 0.00 C0 ATOM 0 H ALA A 44 -0.523 10.736 -6.943 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.168 10.428 -6.032 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.732 11.641 -8.113 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.359 12.388 -7.263 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.073 11.382 -8.703 1.00 0.00 H new ATOM 664 N TRP A 45 -2.597 8.807 -8.856 1.00 0.00 N0 ATOM 665 CA TRP A 45 -3.086 7.717 -9.691 1.00 0.00 C0 ATOM 666 C TRP A 45 -2.739 6.362 -9.086 1.00 0.00 C0 ATOM 667 O TRP A 45 -3.374 5.353 -9.393 1.00 0.00 O0 ATOM 668 CB TRP A 45 -2.497 7.817 -11.099 1.00 0.00 C0 ATOM 669 CG TRP A 45 -1.000 7.879 -11.119 1.00 0.00 C0 ATOM 670 CD1 TRP A 45 -0.233 8.996 -11.263 1.00 0.00 C0 ATOM 671 CD2 TRP A 45 -0.076 6.772 -10.988 1.00 0.00 C0 ATOM 672 NE1 TRP A 45 1.099 8.662 -11.233 1.00 0.00 N0 ATOM 673 CE2 TRP A 45 1.213 7.306 -11.064 1.00 0.00 C0 ATOM 674 CE3 TRP A 45 -0.237 5.392 -10.814 1.00 0.00 C0 ATOM 675 CZ2 TRP A 45 2.344 6.509 -10.974 1.00 0.00 C0 ATOM 676 CZ3 TRP A 45 0.896 4.593 -10.723 1.00 0.00 C0 ATOM 677 CH2 TRP A 45 2.153 5.138 -10.801 1.00 0.00 C0 ATOM 0 H TRP A 45 -1.844 9.353 -9.275 1.00 0.00 H new ATOM 0 HA TRP A 45 -4.171 7.804 -9.747 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -2.825 6.957 -11.683 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -2.896 8.705 -11.589 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -0.617 9.998 -11.383 1.00 0.00 H new ATOM 0 HE1 TRP A 45 1.877 9.316 -11.322 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -1.223 4.957 -10.752 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 3.335 6.933 -11.035 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 0.786 3.527 -10.589 1.00 0.00 H new ATOM 0 HH2 TRP A 45 3.014 4.491 -10.727 1.00 0.00 H new ATOM 688 N PHE A 46 -1.727 6.346 -8.225 1.00 0.00 N0 ATOM 689 CA PHE A 46 -1.397 5.154 -7.453 1.00 0.00 C0 ATOM 690 C PHE A 46 -2.543 4.760 -6.531 1.00 0.00 C0 ATOM 691 O PHE A 46 -2.998 3.616 -6.543 1.00 0.00 O0 ATOM 692 CB PHE A 46 -0.129 5.385 -6.629 1.00 0.00 C0 ATOM 693 CG PHE A 46 0.135 4.314 -5.610 1.00 0.00 C0 ATOM 694 CD1 PHE A 46 0.499 3.035 -6.006 1.00 0.00 C0 ATOM 695 CD2 PHE A 46 0.020 4.581 -4.255 1.00 0.00 C0 ATOM 696 CE1 PHE A 46 0.742 2.048 -5.069 1.00 0.00 C0 ATOM 697 CE2 PHE A 46 0.264 3.598 -3.316 1.00 0.00 C0 ATOM 698 CZ PHE A 46 0.625 2.329 -3.725 1.00 0.00 C0 ATOM 0 H PHE A 46 -1.121 7.146 -8.044 1.00 0.00 H new ATOM 0 HA PHE A 46 -1.225 4.340 -8.158 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.725 5.450 -7.304 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -0.207 6.346 -6.121 1.00 0.00 H new ATOM 0 HD1 PHE A 46 0.594 2.808 -7.058 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -0.264 5.571 -3.929 1.00 0.00 H new ATOM 0 HE1 PHE A 46 1.024 1.056 -5.390 1.00 0.00 H new ATOM 0 HE2 PHE A 46 0.173 3.821 -2.263 1.00 0.00 H new ATOM 0 HZ PHE A 46 0.815 1.558 -2.993 1.00 0.00 H new ATOM 708 N SER A 47 -3.007 5.715 -5.731 1.00 0.00 N0 ATOM 709 CA SER A 47 -4.072 5.458 -4.769 1.00 0.00 C0 ATOM 710 C SER A 47 -5.372 5.089 -5.471 1.00 0.00 C0 ATOM 711 O SER A 47 -6.222 4.403 -4.903 1.00 0.00 O0 ATOM 712 CB SER A 47 -4.288 6.676 -3.892 1.00 0.00 C0 ATOM 713 OG SER A 47 -4.834 7.735 -4.629 1.00 0.00 O0 ATOM 0 H SER A 47 -2.661 6.675 -5.730 1.00 0.00 H new ATOM 0 HA SER A 47 -3.768 4.615 -4.149 1.00 0.00 H new ATOM 0 HB2 SER A 47 -4.953 6.421 -3.067 1.00 0.00 H new ATOM 0 HB3 SER A 47 -3.340 6.985 -3.453 1.00 0.00 H new ATOM 0 HG SER A 47 -4.435 7.751 -5.524 1.00 0.00 H new ATOM 719 N PHE A 48 -5.522 5.549 -6.708 1.00 0.00 N0 ATOM 720 CA PHE A 48 -6.704 5.239 -7.503 1.00 0.00 C0 ATOM 721 C PHE A 48 -6.648 3.816 -8.043 1.00 0.00 C0 ATOM 722 O PHE A 48 -7.634 3.081 -7.985 1.00 0.00 O0 ATOM 723 CB PHE A 48 -6.840 6.226 -8.665 1.00 0.00 C0 ATOM 724 CG PHE A 48 -7.078 7.644 -8.231 1.00 0.00 C0 ATOM 725 CD1 PHE A 48 -6.673 8.705 -9.027 1.00 0.00 C0 ATOM 726 CD2 PHE A 48 -7.707 7.920 -7.027 1.00 0.00 C0 ATOM 727 CE1 PHE A 48 -6.891 10.010 -8.629 1.00 0.00 C0 ATOM 728 CE2 PHE A 48 -7.928 9.224 -6.627 1.00 0.00 C0 ATOM 729 CZ PHE A 48 -7.519 10.270 -7.429 1.00 0.00 C0 ATOM 0 H PHE A 48 -4.838 6.139 -7.183 1.00 0.00 H new ATOM 0 HA PHE A 48 -7.574 5.327 -6.852 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.934 6.188 -9.270 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -7.663 5.909 -9.305 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.182 8.509 -9.969 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -8.028 7.106 -6.394 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -6.569 10.827 -9.258 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -8.421 9.425 -5.687 1.00 0.00 H new ATOM 0 HZ PHE A 48 -7.690 11.290 -7.118 1.00 0.00 H new ATOM 739 N LEU A 49 -5.489 3.433 -8.567 1.00 0.00 N0 ATOM 740 CA LEU A 49 -5.275 2.070 -9.040 1.00 0.00 C0 ATOM 741 C LEU A 49 -5.265 1.081 -7.882 1.00 0.00 C0 ATOM 742 O LEU A 49 -5.691 -0.065 -8.027 1.00 0.00 O0 ATOM 743 CB LEU A 49 -3.953 1.978 -9.811 1.00 0.00 C0 ATOM 744 CG LEU A 49 -3.916 2.711 -11.158 1.00 0.00 C0 ATOM 745 CD1 LEU A 49 -2.524 2.593 -11.764 1.00 0.00 C0 ATOM 746 CD2 LEU A 49 -4.968 2.122 -12.087 1.00 0.00 C0 ATOM 0 H LEU A 49 -4.682 4.048 -8.675 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.100 1.813 -9.705 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.157 2.375 -9.180 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.727 0.926 -9.984 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.139 3.768 -11.012 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.498 3.114 -12.721 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.794 3.039 -11.088 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.282 1.541 -11.917 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.941 2.643 -13.044 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.762 1.063 -12.245 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.955 2.237 -11.639 1.00 0.00 H new ATOM 758 N GLU A 50 -4.775 1.530 -6.731 1.00 0.00 N0 ATOM 759 CA GLU A 50 -4.762 0.704 -5.530 1.00 0.00 C0 ATOM 760 C GLU A 50 -6.170 0.504 -4.983 1.00 0.00 C0 ATOM 761 O GLU A 50 -6.587 -0.622 -4.713 1.00 0.00 O0 ATOM 762 CB GLU A 50 -3.873 1.337 -4.457 1.00 0.00 C0 ATOM 763 CG GLU A 50 -3.734 0.509 -3.187 1.00 0.00 C0 ATOM 764 CD GLU A 50 -2.741 1.088 -2.218 1.00 0.00 C0 ATOM 765 OE1 GLU A 50 -1.701 0.501 -2.041 1.00 0.00 O0 ATOM 766 OE2 GLU A 50 -3.023 2.119 -1.653 1.00 0.00 O1- ATOM 0 H GLU A 50 -4.381 2.463 -6.605 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.358 -0.271 -5.801 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.881 1.505 -4.877 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.279 2.314 -4.196 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.707 0.432 -2.701 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -3.429 -0.504 -3.451 1.00 0.00 H new ATOM 773 N SER A 51 -6.898 1.603 -4.823 1.00 0.00 N0 ATOM 774 CA SER A 51 -8.229 1.560 -4.229 1.00 0.00 C0 ATOM 775 C SER A 51 -9.182 0.722 -5.072 1.00 0.00 C0 ATOM 776 O SER A 51 -10.017 -0.009 -4.540 1.00 0.00 O0 ATOM 777 CB SER A 51 -8.779 2.965 -4.077 1.00 0.00 C0 ATOM 778 OG SER A 51 -8.028 3.700 -3.148 1.00 0.00 O0 ATOM 0 H SER A 51 -6.589 2.536 -5.097 1.00 0.00 H new ATOM 0 HA SER A 51 -8.143 1.096 -3.246 1.00 0.00 H new ATOM 0 HB2 SER A 51 -8.766 3.471 -5.042 1.00 0.00 H new ATOM 0 HB3 SER A 51 -9.819 2.919 -3.755 1.00 0.00 H new ATOM 0 HG SER A 51 -7.145 3.897 -3.524 1.00 0.00 H new ATOM 784 N HIS A 52 -9.051 0.832 -6.390 1.00 0.00 N0 ATOM 785 CA HIS A 52 -9.971 0.174 -7.309 1.00 0.00 C0 ATOM 786 C HIS A 52 -9.416 -1.164 -7.781 1.00 0.00 C0 ATOM 787 O HIS A 52 -9.973 -1.795 -8.679 1.00 0.00 O0 ATOM 788 CB HIS A 52 -10.261 1.069 -8.518 1.00 0.00 C0 ATOM 789 CG HIS A 52 -11.018 2.314 -8.177 1.00 0.00 C0 ATOM 790 ND1 HIS A 52 -12.324 2.293 -7.735 1.00 0.00 N0 ATOM 791 CD2 HIS A 52 -10.655 3.618 -8.215 1.00 0.00 C0 ATOM 792 CE1 HIS A 52 -12.731 3.531 -7.514 1.00 0.00 C0 ATOM 793 NE2 HIS A 52 -11.737 4.353 -7.798 1.00 0.00 N0 ATOM 0 H HIS A 52 -8.315 1.372 -6.846 1.00 0.00 H new ATOM 0 HA HIS A 52 -10.900 -0.008 -6.769 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -9.318 1.345 -8.989 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -10.829 0.499 -9.253 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -9.694 4.007 -8.517 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -13.710 3.821 -7.161 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -11.768 5.370 -7.720 1.00 0.00 H new ATOM 801 N ASN A 53 -8.316 -1.591 -7.171 1.00 0.00 N0 ATOM 802 CA ASN A 53 -7.714 -2.879 -7.491 1.00 0.00 C0 ATOM 803 C ASN A 53 -7.423 -2.997 -8.981 1.00 0.00 C0 ATOM 804 O ASN A 53 -7.707 -4.022 -9.600 1.00 0.00 O0 ATOM 805 CB ASN A 53 -8.608 -4.016 -7.030 1.00 0.00 C0 ATOM 806 CG ASN A 53 -8.781 -4.046 -5.537 1.00 0.00 C0 ATOM 807 OD1 ASN A 53 -7.817 -3.866 -4.784 1.00 0.00 O0 ATOM 808 ND2 ASN A 53 -9.992 -4.271 -5.093 1.00 0.00 N0 ATOM 0 H ASN A 53 -7.823 -1.063 -6.451 1.00 0.00 H new ATOM 0 HA ASN A 53 -6.765 -2.946 -6.958 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -9.585 -3.920 -7.503 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -8.185 -4.964 -7.362 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -10.169 -4.303 -4.089 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -10.758 -4.414 -5.751 1.00 0.00 H new ATOM 815 N LYS A 54 -6.854 -1.941 -9.553 1.00 0.00 N0 ATOM 816 CA LYS A 54 -6.546 -1.914 -10.978 1.00 0.00 C0 ATOM 817 C LYS A 54 -5.044 -1.998 -11.218 1.00 0.00 C0 ATOM 818 O LYS A 54 -4.599 -2.397 -12.294 1.00 0.00 O0 ATOM 819 CB LYS A 54 -7.112 -0.649 -11.625 1.00 0.00 C0 ATOM 820 CG LYS A 54 -8.626 -0.516 -11.527 1.00 0.00 C0 ATOM 821 CD LYS A 54 -9.329 -1.651 -12.256 1.00 0.00 C0 ATOM 822 CE LYS A 54 -10.840 -1.472 -12.233 1.00 0.00 C0 ATOM 823 NZ LYS A 54 -11.543 -2.591 -12.916 1.00 0.00 N1+ ATOM 0 H LYS A 54 -6.597 -1.091 -9.051 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.014 -2.785 -11.437 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.652 0.221 -11.157 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.825 -0.634 -12.677 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -8.926 -0.513 -10.479 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -8.937 0.439 -11.950 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.981 -1.693 -13.288 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -9.066 -2.602 -11.792 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -11.182 -1.406 -11.200 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -11.101 -0.531 -12.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -12.570 -2.431 -12.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -11.237 -2.639 -13.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -11.315 -3.487 -12.439 1.00 0.00 H new ATOM 837 N LEU A 55 -4.267 -1.621 -10.208 1.00 0.00 N0 ATOM 838 CA LEU A 55 -2.812 -1.658 -10.306 1.00 0.00 C0 ATOM 839 C LEU A 55 -2.317 -3.064 -10.619 1.00 0.00 C0 ATOM 840 O LEU A 55 -2.596 -4.010 -9.882 1.00 0.00 O0 ATOM 841 CB LEU A 55 -2.181 -1.167 -8.997 1.00 0.00 C0 ATOM 842 CG LEU A 55 -0.652 -1.040 -9.003 1.00 0.00 C0 ATOM 843 CD1 LEU A 55 -0.236 0.052 -9.980 1.00 0.00 C0 ATOM 844 CD2 LEU A 55 -0.163 -0.730 -7.596 1.00 0.00 C0 ATOM 0 H LEU A 55 -4.621 -1.286 -9.312 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.514 -0.999 -11.122 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.607 -0.194 -8.752 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.467 -1.851 -8.198 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.201 -1.979 -9.325 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.850 0.142 -9.984 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.583 -0.204 -10.981 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.678 1.001 -9.675 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.923 -0.640 -7.600 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.604 0.207 -7.256 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.458 -1.535 -6.923 1.00 0.00 H new ATOM 856 N ASP A 56 -1.581 -3.195 -11.717 1.00 0.00 N0 ATOM 857 CA ASP A 56 -1.058 -4.489 -12.140 1.00 0.00 C0 ATOM 858 C ASP A 56 0.226 -4.330 -12.943 1.00 0.00 C0 ATOM 859 O ASP A 56 0.690 -3.213 -13.174 1.00 0.00 O0 ATOM 860 CB ASP A 56 -2.099 -5.242 -12.973 1.00 0.00 C0 ATOM 861 CG ASP A 56 -2.467 -4.515 -14.259 1.00 0.00 C0 ATOM 862 OD1 ASP A 56 -1.719 -3.658 -14.669 1.00 0.00 O0 ATOM 863 OD2 ASP A 56 -3.491 -4.823 -14.819 1.00 0.00 O1- ATOM 0 H ASP A 56 -1.333 -2.420 -12.331 1.00 0.00 H new ATOM 0 HA ASP A 56 -0.833 -5.064 -11.242 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.714 -6.232 -13.219 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -2.998 -5.389 -12.375 1.00 0.00 H new ATOM 868 N LYS A 57 0.795 -5.452 -13.369 1.00 0.00 N0 ATOM 869 CA LYS A 57 2.076 -5.446 -14.065 1.00 0.00 C0 ATOM 870 C LYS A 57 1.971 -4.729 -15.404 1.00 0.00 C0 ATOM 871 O LYS A 57 2.919 -4.080 -15.848 1.00 0.00 O0 ATOM 872 CB LYS A 57 2.581 -6.875 -14.271 1.00 0.00 C0 ATOM 873 CG LYS A 57 3.022 -7.577 -12.993 1.00 0.00 C0 ATOM 874 CD LYS A 57 3.481 -9.000 -13.275 1.00 0.00 C0 ATOM 875 CE LYS A 57 3.904 -9.709 -11.997 1.00 0.00 C0 ATOM 876 NZ LYS A 57 4.307 -11.119 -12.250 1.00 0.00 N1+ ATOM 0 H LYS A 57 0.388 -6.379 -13.244 1.00 0.00 H new ATOM 0 HA LYS A 57 2.790 -4.905 -13.444 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.791 -7.462 -14.740 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.419 -6.854 -14.967 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.833 -7.016 -12.529 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.197 -7.593 -12.281 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.674 -9.557 -13.752 1.00 0.00 H new ATOM 0 HD3 LYS A 57 4.315 -8.983 -13.977 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.735 -9.170 -11.541 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.081 -9.690 -11.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.588 -11.566 -11.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.507 -11.640 -12.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.109 -11.137 -12.912 1.00 0.00 H new ATOM 890 N ASP A 58 0.814 -4.849 -16.045 1.00 0.00 N0 ATOM 891 CA ASP A 58 0.581 -4.207 -17.333 1.00 0.00 C0 ATOM 892 C ASP A 58 0.704 -2.692 -17.224 1.00 0.00 C0 ATOM 893 O ASP A 58 1.371 -2.054 -18.038 1.00 0.00 O0 ATOM 894 CB ASP A 58 -0.804 -4.574 -17.873 1.00 0.00 C0 ATOM 895 CG ASP A 58 -0.894 -6.021 -18.339 1.00 0.00 C0 ATOM 896 OD1 ASP A 58 0.133 -6.640 -18.490 1.00 0.00 O0 ATOM 897 OD2 ASP A 58 -1.987 -6.492 -18.541 1.00 0.00 O1- ATOM 0 H ASP A 58 0.021 -5.386 -15.693 1.00 0.00 H new ATOM 0 HA ASP A 58 1.343 -4.567 -18.024 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.549 -4.401 -17.096 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.051 -3.914 -18.704 1.00 0.00 H new ATOM 902 N ASN A 59 0.058 -2.123 -16.212 1.00 0.00 N0 ATOM 903 CA ASN A 59 0.119 -0.685 -15.976 1.00 0.00 C0 ATOM 904 C ASN A 59 1.534 -0.245 -15.624 1.00 0.00 C0 ATOM 905 O ASN A 59 1.970 0.842 -16.005 1.00 0.00 O0 ATOM 906 CB ASN A 59 -0.854 -0.281 -14.884 1.00 0.00 C0 ATOM 907 CG ASN A 59 -2.280 -0.262 -15.358 1.00 0.00 C0 ATOM 908 OD1 ASN A 59 -2.546 -0.136 -16.559 1.00 0.00 O0 ATOM 909 ND2 ASN A 59 -3.203 -0.385 -14.439 1.00 0.00 N0 ATOM 0 H ASN A 59 -0.514 -2.636 -15.541 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.169 -0.181 -16.899 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.763 -0.973 -14.047 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -0.586 0.708 -14.511 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -4.188 -0.379 -14.702 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -2.937 -0.487 -13.460 1.00 0.00 H new ATOM 916 N LEU A 60 2.248 -1.095 -14.893 1.00 0.00 N0 ATOM 917 CA LEU A 60 3.629 -0.812 -14.520 1.00 0.00 C0 ATOM 918 C LEU A 60 4.546 -0.845 -15.736 1.00 0.00 C0 ATOM 919 O LEU A 60 5.510 -0.085 -15.819 1.00 0.00 O0 ATOM 920 CB LEU A 60 4.114 -1.826 -13.477 1.00 0.00 C0 ATOM 921 CG LEU A 60 3.434 -1.747 -12.105 1.00 0.00 C0 ATOM 922 CD1 LEU A 60 3.945 -2.874 -11.218 1.00 0.00 C0 ATOM 923 CD2 LEU A 60 3.712 -0.389 -11.477 1.00 0.00 C0 ATOM 0 H LEU A 60 1.892 -1.986 -14.547 1.00 0.00 H new ATOM 0 HA LEU A 60 3.662 0.190 -14.093 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.967 -2.829 -13.877 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.187 -1.692 -13.338 1.00 0.00 H new ATOM 0 HG LEU A 60 2.356 -1.860 -12.218 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.461 -2.817 -10.243 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.716 -3.834 -11.681 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.024 -2.779 -11.094 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.228 -0.333 -10.502 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.787 -0.257 -11.357 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.320 0.397 -12.122 1.00 0.00 H new ATOM 935 N SER A 61 4.241 -1.732 -16.677 1.00 0.00 N0 ATOM 936 CA SER A 61 5.004 -1.828 -17.916 1.00 0.00 C0 ATOM 937 C SER A 61 4.714 -0.648 -18.834 1.00 0.00 C0 ATOM 938 O SER A 61 5.555 -0.259 -19.644 1.00 0.00 O0 ATOM 939 CB SER A 61 4.680 -3.126 -18.629 1.00 0.00 C0 ATOM 940 OG SER A 61 3.390 -3.090 -19.176 1.00 0.00 O0 ATOM 0 H SER A 61 3.470 -2.396 -16.605 1.00 0.00 H new ATOM 0 HA SER A 61 6.064 -1.810 -17.661 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.409 -3.303 -19.420 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.759 -3.959 -17.930 1.00 0.00 H new ATOM 0 HG SER A 61 2.808 -2.546 -18.606 1.00 0.00 H new ATOM 946 N TYR A 62 3.520 -0.081 -18.702 1.00 0.00 N0 ATOM 947 CA TYR A 62 3.171 1.144 -19.411 1.00 0.00 C0 ATOM 948 C TYR A 62 3.969 2.331 -18.887 1.00 0.00 C0 ATOM 949 O TYR A 62 4.403 3.188 -19.657 1.00 0.00 O0 ATOM 950 CB TYR A 62 1.670 1.421 -19.295 1.00 0.00 C0 ATOM 951 CG TYR A 62 0.803 0.384 -19.973 1.00 0.00 C0 ATOM 952 CD1 TYR A 62 1.329 -0.403 -20.987 1.00 0.00 C0 ATOM 953 CD2 TYR A 62 -0.517 0.219 -19.581 1.00 0.00 C0 ATOM 954 CE1 TYR A 62 0.537 -1.351 -21.607 1.00 0.00 C0 ATOM 955 CE2 TYR A 62 -1.308 -0.728 -20.200 1.00 0.00 C0 ATOM 956 CZ TYR A 62 -0.786 -1.511 -21.209 1.00 0.00 C0 ATOM 957 OH TYR A 62 -1.574 -2.455 -21.826 1.00 0.00 O0 ATOM 0 H TYR A 62 2.777 -0.451 -18.110 1.00 0.00 H new ATOM 0 HA TYR A 62 3.423 1.005 -20.462 1.00 0.00 H new ATOM 0 HB2 TYR A 62 1.400 1.473 -18.240 1.00 0.00 H new ATOM 0 HB3 TYR A 62 1.456 2.399 -19.727 1.00 0.00 H new ATOM 0 HD1 TYR A 62 2.357 -0.275 -21.292 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -0.926 0.832 -18.791 1.00 0.00 H new ATOM 0 HE1 TYR A 62 0.944 -1.965 -22.397 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -2.336 -0.856 -19.894 1.00 0.00 H new ATOM 0 HH TYR A 62 -2.471 -2.441 -21.431 1.00 0.00 H new ATOM 967 N ILE A 63 4.160 2.375 -17.573 1.00 0.00 N0 ATOM 968 CA ILE A 63 5.015 3.382 -16.956 1.00 0.00 C0 ATOM 969 C ILE A 63 6.448 3.271 -17.460 1.00 0.00 C0 ATOM 970 O ILE A 63 7.064 4.270 -17.832 1.00 0.00 O0 ATOM 971 CB ILE A 63 4.997 3.252 -15.422 1.00 0.00 C0 ATOM 972 CG1 ILE A 63 3.615 3.614 -14.871 1.00 0.00 C0 ATOM 973 CG2 ILE A 63 6.069 4.136 -14.801 1.00 0.00 C0 ATOM 974 CD1 ILE A 63 3.415 3.229 -13.423 1.00 0.00 C0 ATOM 0 H ILE A 63 3.733 1.724 -16.914 1.00 0.00 H new ATOM 0 HA ILE A 63 4.620 4.359 -17.235 1.00 0.00 H new ATOM 0 HB ILE A 63 5.211 2.216 -15.159 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.462 4.688 -14.976 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.853 3.123 -15.476 1.00 0.00 H new ATOM 0 HG21 ILE A 63 6.043 4.032 -13.716 1.00 0.00 H new ATOM 0 HG22 ILE A 63 7.049 3.834 -15.171 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.884 5.176 -15.071 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.413 3.517 -13.105 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.534 2.151 -13.313 1.00 0.00 H new ATOM 0 HD13 ILE A 63 4.153 3.740 -12.805 1.00 0.00 H new ATOM 986 N GLU A 64 6.974 2.051 -17.469 1.00 0.00 N0 ATOM 987 CA GLU A 64 8.308 1.796 -17.998 1.00 0.00 C0 ATOM 988 C GLU A 64 8.414 2.224 -19.456 1.00 0.00 C0 ATOM 989 O GLU A 64 9.368 2.895 -19.849 1.00 0.00 O0 ATOM 990 CB GLU A 64 8.661 0.313 -17.864 1.00 0.00 C0 ATOM 991 CG GLU A 64 10.072 -0.041 -18.311 1.00 0.00 C0 ATOM 992 CD GLU A 64 10.400 -1.495 -18.116 1.00 0.00 C0 ATOM 993 OE1 GLU A 64 9.622 -2.183 -17.499 1.00 0.00 O0 ATOM 994 OE2 GLU A 64 11.430 -1.919 -18.585 1.00 0.00 O1- ATOM 0 H GLU A 64 6.496 1.222 -17.115 1.00 0.00 H new ATOM 0 HA GLU A 64 9.015 2.386 -17.415 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.538 0.015 -16.823 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.951 -0.271 -18.449 1.00 0.00 H new ATOM 0 HG2 GLU A 64 10.189 0.215 -19.364 1.00 0.00 H new ATOM 0 HG3 GLU A 64 10.787 0.565 -17.755 1.00 0.00 H new ATOM 1001 N HIS A 65 7.428 1.831 -20.255 1.00 0.00 N0 ATOM 1002 CA HIS A 65 7.410 2.170 -21.673 1.00 0.00 C0 ATOM 1003 C HIS A 65 7.505 3.676 -21.881 1.00 0.00 C0 ATOM 1004 O HIS A 65 8.279 4.150 -22.713 1.00 0.00 O0 ATOM 1005 CB HIS A 65 6.139 1.636 -22.341 1.00 0.00 C0 ATOM 1006 CG HIS A 65 6.038 1.971 -23.797 1.00 0.00 C0 ATOM 1007 ND1 HIS A 65 6.835 1.379 -24.754 1.00 0.00 N0 ATOM 1008 CD2 HIS A 65 5.235 2.837 -24.459 1.00 0.00 C0 ATOM 1009 CE1 HIS A 65 6.525 1.866 -25.943 1.00 0.00 C0 ATOM 1010 NE2 HIS A 65 5.559 2.753 -25.791 1.00 0.00 N0 ATOM 0 H HIS A 65 6.630 1.277 -19.944 1.00 0.00 H new ATOM 0 HA HIS A 65 8.279 1.701 -22.134 1.00 0.00 H new ATOM 0 HB2 HIS A 65 6.105 0.553 -22.223 1.00 0.00 H new ATOM 0 HB3 HIS A 65 5.269 2.041 -21.823 1.00 0.00 H new ATOM 0 HD2 HIS A 65 4.481 3.474 -24.022 1.00 0.00 H new ATOM 0 HE1 HIS A 65 6.984 1.586 -26.880 1.00 0.00 H new ATOM 0 HE2 HIS A 65 5.124 3.289 -26.542 1.00 0.00 H new ATOM 1018 N ILE A 66 6.713 4.424 -21.121 1.00 0.00 N0 ATOM 1019 CA ILE A 66 6.714 5.879 -21.213 1.00 0.00 C0 ATOM 1020 C ILE A 66 8.095 6.450 -20.918 1.00 0.00 C0 ATOM 1021 O ILE A 66 8.572 7.341 -21.619 1.00 0.00 O0 ATOM 1022 CB ILE A 66 5.686 6.492 -20.244 1.00 0.00 C0 ATOM 1023 CG1 ILE A 66 4.262 6.184 -20.711 1.00 0.00 C0 ATOM 1024 CG2 ILE A 66 5.898 7.993 -20.124 1.00 0.00 C0 ATOM 1025 CD1 ILE A 66 3.203 6.461 -19.668 1.00 0.00 C0 ATOM 0 H ILE A 66 6.061 4.046 -20.433 1.00 0.00 H new ATOM 0 HA ILE A 66 6.439 6.139 -22.235 1.00 0.00 H new ATOM 0 HB ILE A 66 5.828 6.046 -19.260 1.00 0.00 H new ATOM 0 HG12 ILE A 66 4.046 6.776 -21.601 1.00 0.00 H new ATOM 0 HG13 ILE A 66 4.205 5.136 -21.004 1.00 0.00 H new ATOM 0 HG21 ILE A 66 5.163 8.410 -19.436 1.00 0.00 H new ATOM 0 HG22 ILE A 66 6.902 8.190 -19.747 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.781 8.456 -21.104 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.221 6.218 -20.073 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.393 5.850 -18.786 1.00 0.00 H new ATOM 0 HD13 ILE A 66 3.231 7.515 -19.392 1.00 0.00 H new ATOM 1037 N PHE A 67 8.733 5.930 -19.875 1.00 0.00 N0 ATOM 1038 CA PHE A 67 10.069 6.373 -19.495 1.00 0.00 C0 ATOM 1039 C PHE A 67 11.104 5.954 -20.532 1.00 0.00 C0 ATOM 1040 O PHE A 67 12.107 6.638 -20.734 1.00 0.00 O0 ATOM 1041 CB PHE A 67 10.452 5.806 -18.127 1.00 0.00 C0 ATOM 1042 CG PHE A 67 9.644 6.365 -16.991 1.00 0.00 C0 ATOM 1043 CD1 PHE A 67 8.925 7.541 -17.146 1.00 0.00 C0 ATOM 1044 CD2 PHE A 67 9.601 5.717 -15.766 1.00 0.00 C0 ATOM 1045 CE1 PHE A 67 8.181 8.057 -16.102 1.00 0.00 C0 ATOM 1046 CE2 PHE A 67 8.857 6.230 -14.721 1.00 0.00 C0 ATOM 1047 CZ PHE A 67 8.147 7.401 -14.889 1.00 0.00 C0 ATOM 0 H PHE A 67 8.346 5.200 -19.277 1.00 0.00 H new ATOM 0 HA PHE A 67 10.054 7.462 -19.441 1.00 0.00 H new ATOM 0 HB2 PHE A 67 10.333 4.723 -18.147 1.00 0.00 H new ATOM 0 HB3 PHE A 67 11.507 6.007 -17.943 1.00 0.00 H new ATOM 0 HD1 PHE A 67 8.947 8.059 -18.093 1.00 0.00 H new ATOM 0 HD2 PHE A 67 10.155 4.801 -15.627 1.00 0.00 H new ATOM 0 HE1 PHE A 67 7.626 8.974 -16.236 1.00 0.00 H new ATOM 0 HE2 PHE A 67 8.831 5.714 -13.772 1.00 0.00 H new ATOM 0 HZ PHE A 67 7.566 7.803 -14.072 1.00 0.00 H new ATOM 1057 N GLU A 68 10.854 4.825 -21.187 1.00 0.00 N0 ATOM 1058 CA GLU A 68 11.720 4.355 -22.262 1.00 0.00 C0 ATOM 1059 C GLU A 68 11.698 5.313 -23.446 1.00 0.00 C0 ATOM 1060 O GLU A 68 12.745 5.746 -23.926 1.00 0.00 O0 ATOM 1061 CB GLU A 68 11.295 2.957 -22.716 1.00 0.00 C0 ATOM 1062 CG GLU A 68 12.162 2.364 -23.818 1.00 0.00 C0 ATOM 1063 CD GLU A 68 11.697 1.003 -24.259 1.00 0.00 C0 ATOM 1064 OE1 GLU A 68 10.703 0.543 -23.752 1.00 0.00 O0 ATOM 1065 OE2 GLU A 68 12.338 0.424 -25.104 1.00 0.00 O1- ATOM 0 H GLU A 68 10.058 4.218 -20.992 1.00 0.00 H new ATOM 0 HA GLU A 68 12.738 4.312 -21.875 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.313 2.288 -21.856 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.263 2.999 -23.065 1.00 0.00 H new ATOM 0 HG2 GLU A 68 12.163 3.038 -24.675 1.00 0.00 H new ATOM 0 HG3 GLU A 68 13.191 2.295 -23.466 1.00 0.00 H new ATOM 1072 N ILE A 69 10.498 5.640 -23.914 1.00 0.00 N0 ATOM 1073 CA ILE A 69 10.338 6.502 -25.079 1.00 0.00 C0 ATOM 1074 C ILE A 69 10.657 7.952 -24.740 1.00 0.00 C0 ATOM 1075 O ILE A 69 10.869 8.776 -25.630 1.00 0.00 O0 ATOM 1076 CB ILE A 69 8.907 6.408 -25.640 1.00 0.00 C0 ATOM 1077 CG1 ILE A 69 7.898 6.943 -24.620 1.00 0.00 C0 ATOM 1078 CG2 ILE A 69 8.577 4.972 -26.017 1.00 0.00 C0 ATOM 1079 CD1 ILE A 69 6.489 7.054 -25.156 1.00 0.00 C0 ATOM 0 H ILE A 69 9.621 5.320 -23.503 1.00 0.00 H new ATOM 0 HA ILE A 69 11.041 6.156 -25.837 1.00 0.00 H new ATOM 0 HB ILE A 69 8.846 7.021 -26.539 1.00 0.00 H new ATOM 0 HG12 ILE A 69 7.895 6.288 -23.748 1.00 0.00 H new ATOM 0 HG13 ILE A 69 8.226 7.925 -24.280 1.00 0.00 H new ATOM 0 HG21 ILE A 69 7.562 4.923 -26.412 1.00 0.00 H new ATOM 0 HG22 ILE A 69 9.278 4.625 -26.776 1.00 0.00 H new ATOM 0 HG23 ILE A 69 8.654 4.337 -25.134 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.832 7.440 -24.376 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.477 7.732 -26.009 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.140 6.070 -25.470 1.00 0.00 H new ATOM 1091 N SER A 70 10.691 8.258 -23.448 1.00 0.00 N0 ATOM 1092 CA SER A 70 11.118 9.573 -22.983 1.00 0.00 C0 ATOM 1093 C SER A 70 12.626 9.620 -22.773 1.00 0.00 C0 ATOM 1094 O SER A 70 13.175 10.650 -22.381 1.00 0.00 O0 ATOM 1095 CB SER A 70 10.407 9.925 -21.691 1.00 0.00 C0 ATOM 1096 OG SER A 70 9.029 10.066 -21.897 1.00 0.00 O0 ATOM 0 H SER A 70 10.428 7.613 -22.703 1.00 0.00 H new ATOM 0 HA SER A 70 10.857 10.302 -23.750 1.00 0.00 H new ATOM 0 HB2 SER A 70 10.589 9.148 -20.948 1.00 0.00 H new ATOM 0 HB3 SER A 70 10.815 10.852 -21.289 1.00 0.00 H new ATOM 0 HG SER A 70 8.599 9.187 -21.848 1.00 0.00 H new ATOM 1102 N ARG A 71 13.290 8.501 -23.037 1.00 0.00 N0 ATOM 1103 CA ARG A 71 14.746 8.445 -22.990 1.00 0.00 C0 ATOM 1104 C ARG A 71 15.266 8.779 -21.598 1.00 0.00 C0 ATOM 1105 O ARG A 71 16.060 9.705 -21.427 1.00 0.00 O0 ATOM 1106 CB ARG A 71 15.352 9.409 -24.000 1.00 0.00 C0 ATOM 1107 CG ARG A 71 14.989 9.128 -25.450 1.00 0.00 C0 ATOM 1108 CD ARG A 71 15.675 10.062 -26.378 1.00 0.00 C0 ATOM 1109 NE ARG A 71 15.332 9.798 -27.766 1.00 0.00 N0 ATOM 1110 CZ ARG A 71 15.760 10.529 -28.813 1.00 0.00 C0 ATOM 1111 NH1 ARG A 71 16.545 11.565 -28.614 1.00 0.00 N1+ ATOM 1112 NH2 ARG A 71 15.390 10.207 -30.040 1.00 0.00 N0 ATOM 0 H ARG A 71 12.843 7.619 -23.286 1.00 0.00 H new ATOM 0 HA ARG A 71 15.042 7.426 -23.239 1.00 0.00 H new ATOM 0 HB2 ARG A 71 15.034 10.421 -23.751 1.00 0.00 H new ATOM 0 HB3 ARG A 71 16.437 9.382 -23.900 1.00 0.00 H new ATOM 0 HG2 ARG A 71 15.259 8.102 -25.701 1.00 0.00 H new ATOM 0 HG3 ARG A 71 13.910 9.214 -25.578 1.00 0.00 H new ATOM 0 HD2 ARG A 71 15.405 11.087 -26.126 1.00 0.00 H new ATOM 0 HD3 ARG A 71 16.754 9.976 -26.248 1.00 0.00 H new ATOM 0 HE ARG A 71 14.724 9.003 -27.961 1.00 0.00 H new ATOM 0 HH11 ARG A 71 16.830 11.815 -27.667 1.00 0.00 H new ATOM 0 HH12 ARG A 71 16.869 12.119 -29.407 1.00 0.00 H new ATOM 0 HH21 ARG A 71 14.780 9.404 -30.195 1.00 0.00 H new ATOM 0 HH22 ARG A 71 15.715 10.761 -30.833 1.00 0.00 H new ATOM 1126 N ARG A 72 14.814 8.021 -20.605 1.00 0.00 N0 ATOM 1127 CA ARG A 72 15.280 8.196 -19.235 1.00 0.00 C0 ATOM 1128 C ARG A 72 15.737 6.872 -18.636 1.00 0.00 C0 ATOM 1129 O ARG A 72 14.990 6.219 -17.907 1.00 0.00 O0 ATOM 1130 CB ARG A 72 14.179 8.789 -18.367 1.00 0.00 C0 ATOM 1131 CG ARG A 72 13.743 10.192 -18.757 1.00 0.00 C0 ATOM 1132 CD ARG A 72 14.805 11.193 -18.481 1.00 0.00 C0 ATOM 1133 NE ARG A 72 14.379 12.543 -18.817 1.00 0.00 N0 ATOM 1134 CZ ARG A 72 14.530 13.114 -20.027 1.00 0.00 C0 ATOM 1135 NH1 ARG A 72 15.098 12.443 -21.004 1.00 0.00 N1+ ATOM 1136 NH2 ARG A 72 14.108 14.350 -20.232 1.00 0.00 N0 ATOM 0 H ARG A 72 14.125 7.279 -20.724 1.00 0.00 H new ATOM 0 HA ARG A 72 16.128 8.880 -19.262 1.00 0.00 H new ATOM 0 HB2 ARG A 72 13.311 8.131 -18.406 1.00 0.00 H new ATOM 0 HB3 ARG A 72 14.521 8.805 -17.332 1.00 0.00 H new ATOM 0 HG2 ARG A 72 13.489 10.213 -19.817 1.00 0.00 H new ATOM 0 HG3 ARG A 72 12.840 10.458 -18.208 1.00 0.00 H new ATOM 0 HD2 ARG A 72 15.079 11.151 -17.427 1.00 0.00 H new ATOM 0 HD3 ARG A 72 15.698 10.941 -19.053 1.00 0.00 H new ATOM 0 HE ARG A 72 13.935 13.096 -18.084 1.00 0.00 H new ATOM 0 HH11 ARG A 72 15.424 11.490 -20.846 1.00 0.00 H new ATOM 0 HH12 ARG A 72 15.212 12.876 -21.921 1.00 0.00 H new ATOM 0 HH21 ARG A 72 13.668 14.871 -19.474 1.00 0.00 H new ATOM 0 HH22 ARG A 72 14.222 14.783 -21.149 1.00 0.00 H new ATOM 1150 N PRO A 73 16.968 6.481 -18.947 1.00 0.00 N0 ATOM 1151 CA PRO A 73 17.538 5.248 -18.417 1.00 0.00 C0 ATOM 1152 C PRO A 73 17.501 5.235 -16.894 1.00 0.00 C0 ATOM 1153 O PRO A 73 17.312 4.186 -16.277 1.00 0.00 O0 ATOM 1154 CB PRO A 73 18.975 5.277 -18.947 1.00 0.00 C0 ATOM 1155 CG PRO A 73 18.888 6.085 -20.196 1.00 0.00 C0 ATOM 1156 CD PRO A 73 17.891 7.167 -19.874 1.00 0.00 C0 ATOM 0 HA PRO A 73 16.992 4.354 -18.720 1.00 0.00 H new ATOM 0 HB2 PRO A 73 19.656 5.730 -18.226 1.00 0.00 H new ATOM 0 HB3 PRO A 73 19.346 4.272 -19.148 1.00 0.00 H new ATOM 0 HG2 PRO A 73 19.857 6.505 -20.466 1.00 0.00 H new ATOM 0 HG3 PRO A 73 18.558 5.479 -21.039 1.00 0.00 H new ATOM 0 HD2 PRO A 73 18.365 8.031 -19.410 1.00 0.00 H new ATOM 0 HD3 PRO A 73 17.378 7.526 -20.766 1.00 0.00 H new ATOM 1164 N ASP A 74 17.682 6.406 -16.292 1.00 0.00 N0 ATOM 1165 CA ASP A 74 17.679 6.529 -14.840 1.00 0.00 C0 ATOM 1166 C ASP A 74 16.351 6.074 -14.250 1.00 0.00 C0 ATOM 1167 O ASP A 74 16.318 5.324 -13.275 1.00 0.00 O0 ATOM 1168 CB ASP A 74 17.960 7.975 -14.423 1.00 0.00 C0 ATOM 1169 CG ASP A 74 19.404 8.393 -14.671 1.00 0.00 C0 ATOM 1170 OD1 ASP A 74 20.225 7.530 -14.873 1.00 0.00 O0 ATOM 1171 OD2 ASP A 74 19.671 9.570 -14.654 1.00 0.00 O1- ATOM 0 H ASP A 74 17.833 7.284 -16.789 1.00 0.00 H new ATOM 0 HA ASP A 74 18.468 5.884 -14.453 1.00 0.00 H new ATOM 0 HB2 ASP A 74 17.295 8.642 -14.971 1.00 0.00 H new ATOM 0 HB3 ASP A 74 17.729 8.094 -13.364 1.00 0.00 H new ATOM 1176 N LEU A 75 15.256 6.532 -14.848 1.00 0.00 N0 ATOM 1177 CA LEU A 75 13.922 6.160 -14.393 1.00 0.00 C0 ATOM 1178 C LEU A 75 13.632 4.692 -14.678 1.00 0.00 C0 ATOM 1179 O LEU A 75 12.976 4.014 -13.888 1.00 0.00 O0 ATOM 1180 CB LEU A 75 12.865 7.037 -15.076 1.00 0.00 C0 ATOM 1181 CG LEU A 75 12.853 8.512 -14.655 1.00 0.00 C0 ATOM 1182 CD1 LEU A 75 11.845 9.275 -15.505 1.00 0.00 C0 ATOM 1183 CD2 LEU A 75 12.510 8.616 -13.176 1.00 0.00 C0 ATOM 0 H LEU A 75 15.267 7.162 -15.650 1.00 0.00 H new ATOM 0 HA LEU A 75 13.881 6.316 -13.315 1.00 0.00 H new ATOM 0 HB2 LEU A 75 13.019 6.987 -16.154 1.00 0.00 H new ATOM 0 HB3 LEU A 75 11.882 6.612 -14.874 1.00 0.00 H new ATOM 0 HG LEU A 75 13.838 8.952 -14.811 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.836 10.323 -15.206 1.00 0.00 H new ATOM 0 HD12 LEU A 75 12.124 9.200 -16.556 1.00 0.00 H new ATOM 0 HD13 LEU A 75 10.852 8.849 -15.362 1.00 0.00 H new ATOM 0 HD21 LEU A 75 12.502 9.664 -12.877 1.00 0.00 H new ATOM 0 HD22 LEU A 75 11.527 8.180 -12.999 1.00 0.00 H new ATOM 0 HD23 LEU A 75 13.256 8.078 -12.591 1.00 0.00 H new ATOM 1195 N LEU A 76 14.126 4.206 -15.812 1.00 0.00 N0 ATOM 1196 CA LEU A 76 13.951 2.807 -16.186 1.00 0.00 C0 ATOM 1197 C LEU A 76 14.576 1.878 -15.154 1.00 0.00 C0 ATOM 1198 O LEU A 76 13.985 0.867 -14.776 1.00 0.00 O0 ATOM 1199 CB LEU A 76 14.576 2.545 -17.563 1.00 0.00 C0 ATOM 1200 CG LEU A 76 13.842 3.171 -18.756 1.00 0.00 C0 ATOM 1201 CD1 LEU A 76 14.659 2.958 -20.023 1.00 0.00 C0 ATOM 1202 CD2 LEU A 76 12.460 2.548 -18.885 1.00 0.00 C0 ATOM 0 H LEU A 76 14.651 4.760 -16.488 1.00 0.00 H new ATOM 0 HA LEU A 76 12.881 2.604 -16.228 1.00 0.00 H new ATOM 0 HB2 LEU A 76 15.600 2.918 -17.554 1.00 0.00 H new ATOM 0 HB3 LEU A 76 14.630 1.467 -17.718 1.00 0.00 H new ATOM 0 HG LEU A 76 13.723 4.243 -18.600 1.00 0.00 H new ATOM 0 HD11 LEU A 76 14.138 3.403 -20.871 1.00 0.00 H new ATOM 0 HD12 LEU A 76 15.636 3.429 -19.910 1.00 0.00 H new ATOM 0 HD13 LEU A 76 14.789 1.890 -20.197 1.00 0.00 H new ATOM 0 HD21 LEU A 76 11.938 2.993 -19.732 1.00 0.00 H new ATOM 0 HD22 LEU A 76 12.558 1.474 -19.042 1.00 0.00 H new ATOM 0 HD23 LEU A 76 11.892 2.731 -17.973 1.00 0.00 H new ATOM 1214 N THR A 77 15.775 2.228 -14.699 1.00 0.00 N0 ATOM 1215 CA THR A 77 16.452 1.464 -13.658 1.00 0.00 C0 ATOM 1216 C THR A 77 15.652 1.469 -12.362 1.00 0.00 C0 ATOM 1217 O THR A 77 15.506 0.437 -11.707 1.00 0.00 O0 ATOM 1218 CB THR A 77 17.866 2.016 -13.396 1.00 0.00 C0 ATOM 1219 OG1 THR A 77 18.653 1.907 -14.589 1.00 0.00 O0 ATOM 1220 CG2 THR A 77 18.541 1.242 -12.274 1.00 0.00 C0 ATOM 0 H THR A 77 16.298 3.037 -15.035 1.00 0.00 H new ATOM 0 HA THR A 77 16.535 0.437 -14.014 1.00 0.00 H new ATOM 0 HB THR A 77 17.783 3.062 -13.102 1.00 0.00 H new ATOM 0 HG1 THR A 77 18.372 2.593 -15.230 1.00 0.00 H new ATOM 0 HG21 THR A 77 19.539 1.646 -12.103 1.00 0.00 H new ATOM 0 HG22 THR A 77 17.951 1.334 -11.362 1.00 0.00 H new ATOM 0 HG23 THR A 77 18.618 0.191 -12.552 1.00 0.00 H new ATOM 1228 N MET A 78 15.135 2.637 -11.997 1.00 0.00 N0 ATOM 1229 CA MET A 78 14.322 2.772 -10.794 1.00 0.00 C0 ATOM 1230 C MET A 78 13.091 1.877 -10.858 1.00 0.00 C0 ATOM 1231 O MET A 78 12.791 1.150 -9.912 1.00 0.00 O0 ATOM 1232 CB MET A 78 13.912 4.230 -10.595 1.00 0.00 C0 ATOM 1233 CG MET A 78 15.053 5.157 -10.201 1.00 0.00 C0 ATOM 1234 SD MET A 78 14.587 6.898 -10.263 1.00 0.00 S0 ATOM 1235 CE MET A 78 13.446 6.992 -8.886 1.00 0.00 C0 ATOM 0 H MET A 78 15.265 3.505 -12.517 1.00 0.00 H new ATOM 0 HA MET A 78 14.923 2.455 -9.942 1.00 0.00 H new ATOM 0 HB2 MET A 78 13.464 4.598 -11.518 1.00 0.00 H new ATOM 0 HB3 MET A 78 13.141 4.276 -9.826 1.00 0.00 H new ATOM 0 HG2 MET A 78 15.385 4.910 -9.193 1.00 0.00 H new ATOM 0 HG3 MET A 78 15.900 4.988 -10.866 1.00 0.00 H new ATOM 0 HE1 MET A 78 13.097 8.018 -8.772 1.00 0.00 H new ATOM 0 HE2 MET A 78 12.595 6.338 -9.074 1.00 0.00 H new ATOM 0 HE3 MET A 78 13.951 6.677 -7.973 1.00 0.00 H new ATOM 1245 N VAL A 79 12.381 1.936 -11.980 1.00 0.00 N0 ATOM 1246 CA VAL A 79 11.172 1.141 -12.164 1.00 0.00 C0 ATOM 1247 C VAL A 79 11.452 -0.342 -11.958 1.00 0.00 C0 ATOM 1248 O VAL A 79 10.744 -1.019 -11.212 1.00 0.00 O0 ATOM 1249 CB VAL A 79 10.598 1.361 -13.576 1.00 0.00 C0 ATOM 1250 CG1 VAL A 79 9.524 0.328 -13.881 1.00 0.00 C0 ATOM 1251 CG2 VAL A 79 10.040 2.771 -13.694 1.00 0.00 C0 ATOM 0 H VAL A 79 12.622 2.526 -12.776 1.00 0.00 H new ATOM 0 HA VAL A 79 10.445 1.466 -11.419 1.00 0.00 H new ATOM 0 HB VAL A 79 11.398 1.241 -14.306 1.00 0.00 H new ATOM 0 HG11 VAL A 79 9.129 0.498 -14.883 1.00 0.00 H new ATOM 0 HG12 VAL A 79 9.955 -0.672 -13.826 1.00 0.00 H new ATOM 0 HG13 VAL A 79 8.717 0.416 -13.153 1.00 0.00 H new ATOM 0 HG21 VAL A 79 9.636 2.920 -14.695 1.00 0.00 H new ATOM 0 HG22 VAL A 79 9.248 2.912 -12.958 1.00 0.00 H new ATOM 0 HG23 VAL A 79 10.836 3.494 -13.513 1.00 0.00 H new ATOM 1261 N VAL A 80 12.488 -0.841 -12.622 1.00 0.00 N0 ATOM 1262 CA VAL A 80 12.855 -2.249 -12.524 1.00 0.00 C0 ATOM 1263 C VAL A 80 13.100 -2.655 -11.076 1.00 0.00 C0 ATOM 1264 O VAL A 80 12.596 -3.678 -10.614 1.00 0.00 O0 ATOM 1265 CB VAL A 80 14.121 -2.531 -13.354 1.00 0.00 C0 ATOM 1266 CG1 VAL A 80 14.658 -3.922 -13.051 1.00 0.00 C0 ATOM 1267 CG2 VAL A 80 13.812 -2.383 -14.836 1.00 0.00 C0 ATOM 0 H VAL A 80 13.090 -0.291 -13.235 1.00 0.00 H new ATOM 0 HA VAL A 80 12.024 -2.835 -12.915 1.00 0.00 H new ATOM 0 HB VAL A 80 14.889 -1.807 -13.084 1.00 0.00 H new ATOM 0 HG11 VAL A 80 15.553 -4.104 -13.646 1.00 0.00 H new ATOM 0 HG12 VAL A 80 14.906 -3.994 -11.992 1.00 0.00 H new ATOM 0 HG13 VAL A 80 13.901 -4.666 -13.297 1.00 0.00 H new ATOM 0 HG21 VAL A 80 14.712 -2.584 -15.417 1.00 0.00 H new ATOM 0 HG22 VAL A 80 13.033 -3.091 -15.118 1.00 0.00 H new ATOM 0 HG23 VAL A 80 13.470 -1.368 -15.037 1.00 0.00 H new ATOM 1277 N ASP A 81 13.878 -1.846 -10.364 1.00 0.00 N0 ATOM 1278 CA ASP A 81 14.164 -2.101 -8.957 1.00 0.00 C0 ATOM 1279 C ASP A 81 12.887 -2.106 -8.127 1.00 0.00 C0 ATOM 1280 O ASP A 81 12.729 -2.920 -7.218 1.00 0.00 O0 ATOM 1281 CB ASP A 81 15.134 -1.052 -8.408 1.00 0.00 C0 ATOM 1282 CG ASP A 81 16.552 -1.223 -8.933 1.00 0.00 C0 ATOM 1283 OD1 ASP A 81 16.841 -2.261 -9.481 1.00 0.00 O0 ATOM 1284 OD2 ASP A 81 17.334 -0.315 -8.782 1.00 0.00 O1- ATOM 0 H ASP A 81 14.322 -1.008 -10.739 1.00 0.00 H new ATOM 0 HA ASP A 81 14.625 -3.086 -8.887 1.00 0.00 H new ATOM 0 HB2 ASP A 81 14.772 -0.058 -8.670 1.00 0.00 H new ATOM 0 HB3 ASP A 81 15.146 -1.110 -7.320 1.00 0.00 H new ATOM 1289 N TYR A 82 11.977 -1.191 -8.446 1.00 0.00 N0 ATOM 1290 CA TYR A 82 10.738 -1.048 -7.691 1.00 0.00 C0 ATOM 1291 C TYR A 82 9.770 -2.183 -8.001 1.00 0.00 C0 ATOM 1292 O TYR A 82 8.937 -2.546 -7.171 1.00 0.00 O0 ATOM 1293 CB TYR A 82 10.083 0.303 -7.989 1.00 0.00 C0 ATOM 1294 CG TYR A 82 10.929 1.492 -7.589 1.00 0.00 C0 ATOM 1295 CD1 TYR A 82 12.029 1.314 -6.764 1.00 0.00 C0 ATOM 1296 CD2 TYR A 82 10.603 2.760 -8.048 1.00 0.00 C0 ATOM 1297 CE1 TYR A 82 12.802 2.400 -6.399 1.00 0.00 C0 ATOM 1298 CE2 TYR A 82 11.375 3.845 -7.683 1.00 0.00 C0 ATOM 1299 CZ TYR A 82 12.470 3.669 -6.862 1.00 0.00 C0 ATOM 1300 OH TYR A 82 13.239 4.750 -6.499 1.00 0.00 O0 ATOM 0 H TYR A 82 12.075 -0.537 -9.223 1.00 0.00 H new ATOM 0 HA TYR A 82 10.985 -1.094 -6.630 1.00 0.00 H new ATOM 0 HB2 TYR A 82 9.867 0.365 -9.056 1.00 0.00 H new ATOM 0 HB3 TYR A 82 9.128 0.356 -7.467 1.00 0.00 H new ATOM 0 HD1 TYR A 82 12.282 0.327 -6.407 1.00 0.00 H new ATOM 0 HD2 TYR A 82 9.746 2.898 -8.690 1.00 0.00 H new ATOM 0 HE1 TYR A 82 13.660 2.264 -5.757 1.00 0.00 H new ATOM 0 HE2 TYR A 82 11.122 4.832 -8.040 1.00 0.00 H new ATOM 0 HH TYR A 82 14.164 4.460 -6.355 1.00 0.00 H new ATOM 1310 N ARG A 83 9.886 -2.741 -9.202 1.00 0.00 N0 ATOM 1311 CA ARG A 83 9.064 -3.877 -9.601 1.00 0.00 C0 ATOM 1312 C ARG A 83 9.480 -5.144 -8.865 1.00 0.00 C0 ATOM 1313 O ARG A 83 8.691 -6.079 -8.724 1.00 0.00 O0 ATOM 1314 CB ARG A 83 9.164 -4.109 -11.102 1.00 0.00 C0 ATOM 1315 CG ARG A 83 8.416 -3.099 -11.957 1.00 0.00 C0 ATOM 1316 CD ARG A 83 8.649 -3.326 -13.406 1.00 0.00 C0 ATOM 1317 NE ARG A 83 8.127 -4.611 -13.844 1.00 0.00 N0 ATOM 1318 CZ ARG A 83 8.302 -5.127 -15.076 1.00 0.00 C0 ATOM 1319 NH1 ARG A 83 8.986 -4.459 -15.978 1.00 0.00 N1+ ATOM 1320 NH2 ARG A 83 7.786 -6.306 -15.377 1.00 0.00 N0 ATOM 0 H ARG A 83 10.542 -2.424 -9.916 1.00 0.00 H new ATOM 0 HA ARG A 83 8.032 -3.643 -9.339 1.00 0.00 H new ATOM 0 HB2 ARG A 83 10.216 -4.097 -11.388 1.00 0.00 H new ATOM 0 HB3 ARG A 83 8.784 -5.106 -11.327 1.00 0.00 H new ATOM 0 HG2 ARG A 83 7.349 -3.163 -11.746 1.00 0.00 H new ATOM 0 HG3 ARG A 83 8.734 -2.091 -11.691 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.177 -2.528 -13.979 1.00 0.00 H new ATOM 0 HD3 ARG A 83 9.718 -3.278 -13.614 1.00 0.00 H new ATOM 0 HE ARG A 83 7.591 -5.160 -13.172 1.00 0.00 H new ATOM 0 HH11 ARG A 83 9.385 -3.549 -15.745 1.00 0.00 H new ATOM 0 HH12 ARG A 83 9.118 -4.850 -16.911 1.00 0.00 H new ATOM 0 HH21 ARG A 83 7.256 -6.824 -14.677 1.00 0.00 H new ATOM 0 HH22 ARG A 83 7.918 -6.697 -16.310 1.00 0.00 H new ATOM 1334 N THR A 84 10.723 -5.169 -8.398 1.00 0.00 N0 ATOM 1335 CA THR A 84 11.205 -6.261 -7.559 1.00 0.00 C0 ATOM 1336 C THR A 84 11.006 -5.949 -6.082 1.00 0.00 C0 ATOM 1337 O THR A 84 10.866 -6.854 -5.260 1.00 0.00 O0 ATOM 1338 CB THR A 84 12.692 -6.554 -7.830 1.00 0.00 C0 ATOM 1339 OG1 THR A 84 13.478 -5.406 -7.485 1.00 0.00 O0 ATOM 1340 CG2 THR A 84 12.911 -6.891 -9.297 1.00 0.00 C0 ATOM 0 H THR A 84 11.416 -4.445 -8.586 1.00 0.00 H new ATOM 0 HA THR A 84 10.620 -7.145 -7.813 1.00 0.00 H new ATOM 0 HB THR A 84 12.995 -7.407 -7.223 1.00 0.00 H new ATOM 0 HG1 THR A 84 12.887 -4.641 -7.325 1.00 0.00 H new ATOM 0 HG21 THR A 84 13.968 -7.095 -9.470 1.00 0.00 H new ATOM 0 HG22 THR A 84 12.324 -7.771 -9.560 1.00 0.00 H new ATOM 0 HG23 THR A 84 12.599 -6.049 -9.914 1.00 0.00 H new ATOM 1348 N ARG A 85 10.994 -4.662 -5.750 1.00 0.00 N0 ATOM 1349 CA ARG A 85 10.790 -4.228 -4.373 1.00 0.00 C0 ATOM 1350 C ARG A 85 9.352 -4.463 -3.929 1.00 0.00 C0 ATOM 1351 O ARG A 85 9.103 -4.889 -2.801 1.00 0.00 O0 ATOM 1352 CB ARG A 85 11.130 -2.752 -4.222 1.00 0.00 C0 ATOM 1353 CG ARG A 85 10.941 -2.193 -2.821 1.00 0.00 C0 ATOM 1354 CD ARG A 85 11.787 -2.903 -1.827 1.00 0.00 C0 ATOM 1355 NE ARG A 85 11.538 -2.439 -0.472 1.00 0.00 N0 ATOM 1356 CZ ARG A 85 11.964 -3.066 0.642 1.00 0.00 C0 ATOM 1357 NH1 ARG A 85 12.658 -4.178 0.545 1.00 0.00 N1+ ATOM 1358 NH2 ARG A 85 11.685 -2.562 1.831 1.00 0.00 N0 ATOM 0 H ARG A 85 11.123 -3.901 -6.417 1.00 0.00 H new ATOM 0 HA ARG A 85 11.453 -4.819 -3.741 1.00 0.00 H new ATOM 0 HB2 ARG A 85 12.167 -2.600 -4.521 1.00 0.00 H new ATOM 0 HB3 ARG A 85 10.512 -2.179 -4.913 1.00 0.00 H new ATOM 0 HG2 ARG A 85 11.188 -1.131 -2.817 1.00 0.00 H new ATOM 0 HG3 ARG A 85 9.893 -2.278 -2.534 1.00 0.00 H new ATOM 0 HD2 ARG A 85 11.594 -3.974 -1.885 1.00 0.00 H new ATOM 0 HD3 ARG A 85 12.838 -2.755 -2.074 1.00 0.00 H new ATOM 0 HE ARG A 85 11.003 -1.578 -0.356 1.00 0.00 H new ATOM 0 HH11 ARG A 85 12.874 -4.566 -0.373 1.00 0.00 H new ATOM 0 HH12 ARG A 85 12.981 -4.653 1.388 1.00 0.00 H new ATOM 0 HH21 ARG A 85 11.147 -1.698 1.905 1.00 0.00 H new ATOM 0 HH22 ARG A 85 12.007 -3.036 2.674 1.00 0.00 H new ATOM 1372 N VAL A 86 8.409 -4.183 -4.822 1.00 0.00 N0 ATOM 1373 CA VAL A 86 6.994 -4.383 -4.530 1.00 0.00 C0 ATOM 1374 C VAL A 86 6.690 -5.850 -4.255 1.00 0.00 C0 ATOM 1375 O VAL A 86 5.734 -6.174 -3.551 1.00 0.00 O0 ATOM 1376 CB VAL A 86 6.131 -3.894 -5.708 1.00 0.00 C0 ATOM 1377 CG1 VAL A 86 6.258 -4.843 -6.890 1.00 0.00 C0 ATOM 1378 CG2 VAL A 86 4.680 -3.769 -5.270 1.00 0.00 C0 ATOM 0 H VAL A 86 8.599 -3.817 -5.755 1.00 0.00 H new ATOM 0 HA VAL A 86 6.755 -3.805 -3.638 1.00 0.00 H new ATOM 0 HB VAL A 86 6.485 -2.913 -6.023 1.00 0.00 H new ATOM 0 HG11 VAL A 86 5.642 -4.483 -7.714 1.00 0.00 H new ATOM 0 HG12 VAL A 86 7.299 -4.889 -7.209 1.00 0.00 H new ATOM 0 HG13 VAL A 86 5.924 -5.838 -6.595 1.00 0.00 H new ATOM 0 HG21 VAL A 86 4.075 -3.423 -6.108 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.316 -4.741 -4.937 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.608 -3.054 -4.451 1.00 0.00 H new ATOM 1388 N LEU A 87 7.509 -6.733 -4.816 1.00 0.00 N0 ATOM 1389 CA LEU A 87 7.406 -8.160 -4.533 1.00 0.00 C0 ATOM 1390 C LEU A 87 7.897 -8.480 -3.127 1.00 0.00 C0 ATOM 1391 O LEU A 87 7.382 -9.385 -2.470 1.00 0.00 O0 ATOM 1392 CB LEU A 87 8.215 -8.963 -5.559 1.00 0.00 C0 ATOM 1393 CG LEU A 87 7.695 -8.916 -7.001 1.00 0.00 C0 ATOM 1394 CD1 LEU A 87 8.682 -9.621 -7.921 1.00 0.00 C0 ATOM 1395 CD2 LEU A 87 6.323 -9.570 -7.068 1.00 0.00 C0 ATOM 0 H LEU A 87 8.252 -6.486 -5.470 1.00 0.00 H new ATOM 0 HA LEU A 87 6.355 -8.440 -4.601 1.00 0.00 H new ATOM 0 HB2 LEU A 87 9.242 -8.598 -5.551 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.244 -10.004 -5.237 1.00 0.00 H new ATOM 0 HG LEU A 87 7.599 -7.881 -7.328 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.312 -9.587 -8.946 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.649 -9.122 -7.868 1.00 0.00 H new ATOM 0 HD13 LEU A 87 8.792 -10.660 -7.609 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.954 -9.536 -8.093 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.398 -10.608 -6.743 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.633 -9.035 -6.416 1.00 0.00 H new