USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 449 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 26 ASN : amide:sc= -0.961 K(o=-1.1,f=-2.1!) USER MOD Set 1.2: A 84 ASN : amide:sc= -0.137 K(o=-1.1,f=-3.1) USER MOD Single : A 23 THR OG1 : rot 26:sc= 0.132 USER MOD Single : A 32 THR OG1 : rot -103:sc= -1.66 USER MOD Single : A 34 LYS NZ :NH3+ -105:sc= -2.07 (180deg=-3.43!) USER MOD Single : A 42 ASN : amide:sc= -0.164 K(o=-0.16,f=-2.4!) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.816 USER MOD Single : A 66 THR OG1 : rot -51:sc= 1.43 USER MOD Single : A 67 ASN : amide:sc= -0.301 K(o=-0.3,f=-3!) USER MOD Single : A 70 ASN : amide:sc= -1.4 K(o=-1.4,f=-7.8!) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.607 USER MOD Single : A 75 SER OG : rot -150:sc= -1.14 USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD ----------------------------------------------------------------- ATOM 366 N THR A 23 -5.930 -5.828 -9.342 1.00 0.00 N ATOM 367 CA THR A 23 -5.622 -5.868 -7.911 1.00 0.00 C ATOM 368 C THR A 23 -5.223 -4.474 -7.392 1.00 0.00 C ATOM 369 O THR A 23 -4.253 -3.872 -7.868 1.00 0.00 O ATOM 370 CB THR A 23 -4.485 -6.894 -7.600 1.00 0.00 C ATOM 371 OG1 THR A 23 -4.820 -8.170 -8.163 1.00 0.00 O ATOM 372 CG2 THR A 23 -4.262 -7.055 -6.085 1.00 0.00 C ATOM 0 HA THR A 23 -6.527 -6.190 -7.396 1.00 0.00 H new ATOM 0 HB THR A 23 -3.564 -6.513 -8.042 1.00 0.00 H new ATOM 0 HG1 THR A 23 -5.425 -8.043 -8.923 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.464 -7.776 -5.909 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.983 -6.093 -5.654 1.00 0.00 H new ATOM 0 HG23 THR A 23 -5.181 -7.409 -5.618 1.00 0.00 H new ATOM 380 N ARG A 24 -6.004 -3.967 -6.438 1.00 0.00 N ATOM 381 CA ARG A 24 -5.756 -2.673 -5.785 1.00 0.00 C ATOM 382 C ARG A 24 -5.392 -2.887 -4.313 1.00 0.00 C ATOM 383 O ARG A 24 -5.524 -4.000 -3.776 1.00 0.00 O ATOM 384 CB ARG A 24 -7.012 -1.769 -5.903 1.00 0.00 C ATOM 385 CG ARG A 24 -7.466 -1.493 -7.346 1.00 0.00 C ATOM 386 CD ARG A 24 -8.687 -0.564 -7.416 1.00 0.00 C ATOM 387 NE ARG A 24 -9.895 -1.144 -6.797 1.00 0.00 N ATOM 388 CZ ARG A 24 -11.139 -0.660 -6.963 1.00 0.00 C ATOM 389 NH1 ARG A 24 -11.370 0.370 -7.765 1.00 0.00 N ATOM 390 NH2 ARG A 24 -12.159 -1.213 -6.335 1.00 0.00 N ATOM 0 H ARG A 24 -6.836 -4.444 -6.090 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.921 -2.180 -6.283 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.833 -2.237 -5.360 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.807 -0.818 -5.412 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -6.642 -1.046 -7.902 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.705 -2.438 -7.834 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.449 0.377 -6.920 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -8.898 -0.330 -8.459 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.779 -1.966 -6.204 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.598 0.808 -8.268 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.320 0.724 -7.879 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.007 -2.012 -5.720 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.100 -0.841 -6.465 1.00 0.00 H new ATOM 404 N ILE A 25 -4.956 -1.800 -3.669 1.00 0.00 N ATOM 405 CA ILE A 25 -4.542 -1.808 -2.263 1.00 0.00 C ATOM 406 C ILE A 25 -4.966 -0.491 -1.602 1.00 0.00 C ATOM 407 O ILE A 25 -4.879 0.571 -2.221 1.00 0.00 O ATOM 408 CB ILE A 25 -2.983 -2.037 -2.137 1.00 0.00 C ATOM 409 CG1 ILE A 25 -2.522 -2.135 -0.644 1.00 0.00 C ATOM 410 CG2 ILE A 25 -2.182 -0.945 -2.897 1.00 0.00 C ATOM 411 CD1 ILE A 25 -1.086 -2.599 -0.452 1.00 0.00 C ATOM 0 H ILE A 25 -4.880 -0.884 -4.112 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.033 -2.634 -1.748 1.00 0.00 H new ATOM 0 HB ILE A 25 -2.768 -2.997 -2.607 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -2.639 -1.157 -0.177 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.185 -2.822 -0.117 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.114 -1.135 -2.788 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.449 -0.967 -3.954 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.420 0.035 -2.483 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.855 -2.637 0.613 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -0.963 -3.592 -0.885 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.409 -1.902 -0.945 1.00 0.00 H new ATOM 423 N ASN A 26 -5.454 -0.562 -0.353 1.00 0.00 N ATOM 424 CA ASN A 26 -5.844 0.636 0.401 1.00 0.00 C ATOM 425 C ASN A 26 -4.602 1.139 1.134 1.00 0.00 C ATOM 426 O ASN A 26 -4.218 0.601 2.177 1.00 0.00 O ATOM 427 CB ASN A 26 -6.995 0.322 1.394 1.00 0.00 C ATOM 428 CG ASN A 26 -8.318 0.024 0.695 1.00 0.00 C ATOM 429 OD1 ASN A 26 -9.167 0.897 0.539 1.00 0.00 O ATOM 430 ND2 ASN A 26 -8.498 -1.207 0.256 1.00 0.00 N ATOM 0 H ASN A 26 -5.587 -1.437 0.154 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.220 1.404 -0.275 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.714 -0.533 2.009 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -7.128 1.169 2.067 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -9.361 -1.455 -0.228 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -7.774 -1.911 0.401 1.00 0.00 H new ATOM 437 N VAL A 27 -3.975 2.163 0.558 1.00 0.00 N ATOM 438 CA VAL A 27 -2.715 2.726 1.037 1.00 0.00 C ATOM 439 C VAL A 27 -3.006 3.735 2.151 1.00 0.00 C ATOM 440 O VAL A 27 -3.578 4.805 1.900 1.00 0.00 O ATOM 441 CB VAL A 27 -1.947 3.422 -0.142 1.00 0.00 C ATOM 442 CG1 VAL A 27 -0.581 3.975 0.308 1.00 0.00 C ATOM 443 CG2 VAL A 27 -1.797 2.464 -1.340 1.00 0.00 C ATOM 0 H VAL A 27 -4.336 2.634 -0.272 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.087 1.926 1.429 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.545 4.275 -0.463 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.083 4.448 -0.538 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.729 4.710 1.099 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.037 3.159 0.682 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.262 2.968 -2.144 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.239 1.580 -1.031 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.784 2.165 -1.693 1.00 0.00 H new ATOM 453 N VAL A 28 -2.641 3.369 3.378 1.00 0.00 N ATOM 454 CA VAL A 28 -2.827 4.199 4.566 1.00 0.00 C ATOM 455 C VAL A 28 -1.484 4.849 4.905 1.00 0.00 C ATOM 456 O VAL A 28 -0.528 4.147 5.241 1.00 0.00 O ATOM 457 CB VAL A 28 -3.326 3.333 5.783 1.00 0.00 C ATOM 458 CG1 VAL A 28 -3.592 4.203 7.036 1.00 0.00 C ATOM 459 CG2 VAL A 28 -4.576 2.497 5.404 1.00 0.00 C ATOM 0 H VAL A 28 -2.200 2.471 3.578 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.582 4.960 4.367 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.525 2.639 6.035 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.935 3.569 7.853 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.672 4.708 7.330 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.357 4.945 6.808 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.896 1.910 6.265 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.382 3.165 5.100 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.330 1.827 4.580 1.00 0.00 H new ATOM 469 N ASP A 29 -1.413 6.175 4.776 1.00 0.00 N ATOM 470 CA ASP A 29 -0.209 6.943 5.107 1.00 0.00 C ATOM 471 C ASP A 29 0.091 6.775 6.615 1.00 0.00 C ATOM 472 O ASP A 29 -0.759 7.108 7.428 1.00 0.00 O ATOM 473 CB ASP A 29 -0.416 8.432 4.736 1.00 0.00 C ATOM 474 CG ASP A 29 0.882 9.260 4.781 1.00 0.00 C ATOM 475 OD1 ASP A 29 1.378 9.565 5.885 1.00 0.00 O ATOM 476 OD2 ASP A 29 1.388 9.650 3.712 1.00 0.00 O ATOM 0 H ASP A 29 -2.187 6.747 4.439 1.00 0.00 H new ATOM 0 HA ASP A 29 0.643 6.574 4.536 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -0.843 8.493 3.735 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -1.142 8.871 5.420 1.00 0.00 H new ATOM 481 N PRO A 30 1.285 6.251 7.012 1.00 0.00 N ATOM 482 CA PRO A 30 1.572 5.912 8.429 1.00 0.00 C ATOM 483 C PRO A 30 1.767 7.154 9.328 1.00 0.00 C ATOM 484 O PRO A 30 1.659 7.060 10.556 1.00 0.00 O ATOM 485 CB PRO A 30 2.868 5.069 8.319 1.00 0.00 C ATOM 486 CG PRO A 30 3.557 5.606 7.103 1.00 0.00 C ATOM 487 CD PRO A 30 2.447 5.957 6.131 1.00 0.00 C ATOM 0 HA PRO A 30 0.745 5.387 8.906 1.00 0.00 H new ATOM 0 HB2 PRO A 30 3.489 5.177 9.208 1.00 0.00 H new ATOM 0 HB3 PRO A 30 2.644 4.007 8.213 1.00 0.00 H new ATOM 0 HG2 PRO A 30 4.157 6.483 7.347 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.233 4.866 6.676 1.00 0.00 H new ATOM 0 HD2 PRO A 30 2.711 6.817 5.516 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.235 5.132 5.451 1.00 0.00 H new ATOM 495 N GLU A 31 2.036 8.308 8.702 1.00 0.00 N ATOM 496 CA GLU A 31 2.361 9.557 9.404 1.00 0.00 C ATOM 497 C GLU A 31 1.093 10.403 9.636 1.00 0.00 C ATOM 498 O GLU A 31 0.808 10.811 10.766 1.00 0.00 O ATOM 499 CB GLU A 31 3.404 10.343 8.567 1.00 0.00 C ATOM 500 CG GLU A 31 4.664 9.522 8.206 1.00 0.00 C ATOM 501 CD GLU A 31 5.577 10.233 7.197 1.00 0.00 C ATOM 502 OE1 GLU A 31 5.300 10.162 5.988 1.00 0.00 O ATOM 503 OE2 GLU A 31 6.578 10.866 7.600 1.00 0.00 O ATOM 0 H GLU A 31 2.034 8.401 7.686 1.00 0.00 H new ATOM 0 HA GLU A 31 2.780 9.325 10.383 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.932 10.689 7.647 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.707 11.230 9.123 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.229 9.315 9.115 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.358 8.560 7.795 1.00 0.00 H new ATOM 510 N THR A 32 0.333 10.643 8.556 1.00 0.00 N ATOM 511 CA THR A 32 -0.871 11.501 8.576 1.00 0.00 C ATOM 512 C THR A 32 -2.169 10.674 8.727 1.00 0.00 C ATOM 513 O THR A 32 -3.164 11.167 9.266 1.00 0.00 O ATOM 514 CB THR A 32 -0.930 12.370 7.277 1.00 0.00 C ATOM 515 OG1 THR A 32 -0.873 11.510 6.130 1.00 0.00 O ATOM 516 CG2 THR A 32 0.228 13.385 7.202 1.00 0.00 C ATOM 0 H THR A 32 0.534 10.247 7.638 1.00 0.00 H new ATOM 0 HA THR A 32 -0.798 12.153 9.446 1.00 0.00 H new ATOM 0 HB THR A 32 -1.865 12.930 7.297 1.00 0.00 H new ATOM 0 HG1 THR A 32 0.026 11.541 5.742 1.00 0.00 H new ATOM 0 HG21 THR A 32 0.144 13.965 6.283 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.180 14.056 8.060 1.00 0.00 H new ATOM 0 HG23 THR A 32 1.179 12.853 7.210 1.00 0.00 H new ATOM 524 N GLY A 33 -2.156 9.421 8.232 1.00 0.00 N ATOM 525 CA GLY A 33 -3.305 8.497 8.371 1.00 0.00 C ATOM 526 C GLY A 33 -4.181 8.389 7.126 1.00 0.00 C ATOM 527 O GLY A 33 -5.203 7.697 7.165 1.00 0.00 O ATOM 0 H GLY A 33 -1.362 9.022 7.731 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.930 7.505 8.624 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.922 8.827 9.207 1.00 0.00 H new ATOM 531 N LYS A 34 -3.774 9.058 6.025 1.00 0.00 N ATOM 532 CA LYS A 34 -4.583 9.163 4.782 1.00 0.00 C ATOM 533 C LYS A 34 -4.823 7.785 4.118 1.00 0.00 C ATOM 534 O LYS A 34 -3.900 7.197 3.560 1.00 0.00 O ATOM 535 CB LYS A 34 -3.886 10.115 3.777 1.00 0.00 C ATOM 536 CG LYS A 34 -3.638 11.543 4.315 1.00 0.00 C ATOM 537 CD LYS A 34 -2.926 12.496 3.305 1.00 0.00 C ATOM 538 CE LYS A 34 -1.433 12.164 3.051 1.00 0.00 C ATOM 539 NZ LYS A 34 -1.220 10.883 2.322 1.00 0.00 N ATOM 0 H LYS A 34 -2.877 9.541 5.969 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.557 9.565 5.062 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -2.931 9.679 3.485 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.495 10.180 2.875 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.594 11.983 4.599 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.036 11.478 5.221 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -3.459 12.462 2.355 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -3.000 13.518 3.676 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.981 12.976 2.481 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.912 12.118 4.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.882 10.158 2.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.117 10.572 1.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -0.512 11.023 1.573 1.00 0.00 H new ATOM 553 N VAL A 35 -6.067 7.283 4.200 1.00 0.00 N ATOM 554 CA VAL A 35 -6.477 6.013 3.559 1.00 0.00 C ATOM 555 C VAL A 35 -7.007 6.304 2.138 1.00 0.00 C ATOM 556 O VAL A 35 -8.018 6.999 1.989 1.00 0.00 O ATOM 557 CB VAL A 35 -7.592 5.268 4.400 1.00 0.00 C ATOM 558 CG1 VAL A 35 -7.906 3.865 3.820 1.00 0.00 C ATOM 559 CG2 VAL A 35 -7.210 5.184 5.902 1.00 0.00 C ATOM 0 H VAL A 35 -6.820 7.743 4.712 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.605 5.361 3.509 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.502 5.863 4.324 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.676 3.385 4.424 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.261 3.966 2.794 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.002 3.255 3.833 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.998 4.667 6.449 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.274 4.636 6.009 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.090 6.190 6.304 1.00 0.00 H new ATOM 569 N GLU A 36 -6.319 5.777 1.102 1.00 0.00 N ATOM 570 CA GLU A 36 -6.710 5.961 -0.307 1.00 0.00 C ATOM 571 C GLU A 36 -6.397 4.690 -1.112 1.00 0.00 C ATOM 572 O GLU A 36 -5.341 4.095 -0.934 1.00 0.00 O ATOM 573 CB GLU A 36 -5.971 7.188 -0.923 1.00 0.00 C ATOM 574 CG GLU A 36 -6.343 7.501 -2.396 1.00 0.00 C ATOM 575 CD GLU A 36 -7.842 7.814 -2.588 1.00 0.00 C ATOM 576 OE1 GLU A 36 -8.244 8.978 -2.392 1.00 0.00 O ATOM 577 OE2 GLU A 36 -8.627 6.896 -2.921 1.00 0.00 O ATOM 0 H GLU A 36 -5.478 5.213 1.222 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.783 6.149 -0.349 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.186 8.066 -0.315 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -4.897 7.014 -0.864 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.753 8.350 -2.741 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.072 6.650 -3.022 1.00 0.00 H new ATOM 584 N ILE A 37 -7.314 4.312 -2.020 1.00 0.00 N ATOM 585 CA ILE A 37 -7.173 3.115 -2.863 1.00 0.00 C ATOM 586 C ILE A 37 -6.226 3.435 -4.045 1.00 0.00 C ATOM 587 O ILE A 37 -6.356 4.486 -4.684 1.00 0.00 O ATOM 588 CB ILE A 37 -8.573 2.626 -3.398 1.00 0.00 C ATOM 589 CG1 ILE A 37 -9.612 2.520 -2.225 1.00 0.00 C ATOM 590 CG2 ILE A 37 -8.438 1.271 -4.145 1.00 0.00 C ATOM 591 CD1 ILE A 37 -11.026 2.164 -2.648 1.00 0.00 C ATOM 0 H ILE A 37 -8.176 4.831 -2.189 1.00 0.00 H new ATOM 0 HA ILE A 37 -6.751 2.309 -2.262 1.00 0.00 H new ATOM 0 HB ILE A 37 -8.941 3.366 -4.109 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -9.261 1.770 -1.516 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -9.637 3.472 -1.695 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -9.417 0.955 -4.505 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -7.761 1.388 -4.991 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -8.041 0.518 -3.464 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -11.668 2.115 -1.768 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -11.404 2.925 -3.331 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -11.023 1.196 -3.149 1.00 0.00 H new ATOM 603 N ALA A 38 -5.273 2.533 -4.316 1.00 0.00 N ATOM 604 CA ALA A 38 -4.259 2.711 -5.371 1.00 0.00 C ATOM 605 C ALA A 38 -4.213 1.506 -6.311 1.00 0.00 C ATOM 606 O ALA A 38 -4.607 0.397 -5.936 1.00 0.00 O ATOM 607 CB ALA A 38 -2.878 2.944 -4.748 1.00 0.00 C ATOM 0 H ALA A 38 -5.181 1.653 -3.808 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.540 3.586 -5.957 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -2.139 3.074 -5.539 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -2.905 3.839 -4.127 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -2.606 2.085 -4.135 1.00 0.00 H new ATOM 613 N GLU A 39 -3.683 1.741 -7.524 1.00 0.00 N ATOM 614 CA GLU A 39 -3.504 0.705 -8.551 1.00 0.00 C ATOM 615 C GLU A 39 -2.099 0.112 -8.400 1.00 0.00 C ATOM 616 O GLU A 39 -1.113 0.861 -8.480 1.00 0.00 O ATOM 617 CB GLU A 39 -3.668 1.302 -9.983 1.00 0.00 C ATOM 618 CG GLU A 39 -4.958 2.117 -10.215 1.00 0.00 C ATOM 619 CD GLU A 39 -6.234 1.344 -9.855 1.00 0.00 C ATOM 620 OE1 GLU A 39 -6.541 0.330 -10.521 1.00 0.00 O ATOM 621 OE2 GLU A 39 -6.943 1.751 -8.913 1.00 0.00 O ATOM 0 H GLU A 39 -3.365 2.664 -7.820 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.263 -0.066 -8.418 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.811 1.942 -10.192 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.639 0.485 -10.704 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.915 3.030 -9.622 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.006 2.418 -11.261 1.00 0.00 H new ATOM 628 N ILE A 40 -1.994 -1.212 -8.174 1.00 0.00 N ATOM 629 CA ILE A 40 -0.693 -1.879 -8.047 1.00 0.00 C ATOM 630 C ILE A 40 -0.081 -2.064 -9.455 1.00 0.00 C ATOM 631 O ILE A 40 -0.613 -2.813 -10.286 1.00 0.00 O ATOM 632 CB ILE A 40 -0.820 -3.260 -7.294 1.00 0.00 C ATOM 633 CG1 ILE A 40 -1.465 -3.042 -5.885 1.00 0.00 C ATOM 634 CG2 ILE A 40 0.564 -3.967 -7.179 1.00 0.00 C ATOM 635 CD1 ILE A 40 -1.680 -4.303 -5.069 1.00 0.00 C ATOM 0 H ILE A 40 -2.795 -1.836 -8.077 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.032 -1.254 -7.446 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.470 -3.915 -7.874 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.831 -2.363 -5.314 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.426 -2.546 -6.016 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.446 -4.916 -6.656 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.963 -4.150 -8.177 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.253 -3.330 -6.624 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.131 -4.044 -4.111 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.342 -4.979 -5.611 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.722 -4.793 -4.898 1.00 0.00 H new ATOM 647 N ARG A 41 1.013 -1.339 -9.702 1.00 0.00 N ATOM 648 CA ARG A 41 1.754 -1.371 -10.973 1.00 0.00 C ATOM 649 C ARG A 41 2.600 -2.655 -11.064 1.00 0.00 C ATOM 650 O ARG A 41 2.539 -3.391 -12.049 1.00 0.00 O ATOM 651 CB ARG A 41 2.672 -0.124 -11.079 1.00 0.00 C ATOM 652 CG ARG A 41 1.940 1.236 -11.105 1.00 0.00 C ATOM 653 CD ARG A 41 2.931 2.408 -11.184 1.00 0.00 C ATOM 654 NE ARG A 41 2.255 3.708 -11.287 1.00 0.00 N ATOM 655 CZ ARG A 41 2.866 4.899 -11.217 1.00 0.00 C ATOM 656 NH1 ARG A 41 4.159 4.997 -10.941 1.00 0.00 N ATOM 657 NH2 ARG A 41 2.164 6.004 -11.407 1.00 0.00 N ATOM 0 H ARG A 41 1.418 -0.702 -9.016 1.00 0.00 H new ATOM 0 HA ARG A 41 1.041 -1.362 -11.797 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.363 -0.130 -10.236 1.00 0.00 H new ATOM 0 HB3 ARG A 41 3.273 -0.212 -11.984 1.00 0.00 H new ATOM 0 HG2 ARG A 41 1.265 1.271 -11.960 1.00 0.00 H new ATOM 0 HG3 ARG A 41 1.326 1.337 -10.210 1.00 0.00 H new ATOM 0 HD2 ARG A 41 3.568 2.402 -10.299 1.00 0.00 H new ATOM 0 HD3 ARG A 41 3.583 2.271 -12.047 1.00 0.00 H new ATOM 0 HE ARG A 41 1.244 3.704 -11.422 1.00 0.00 H new ATOM 0 HH11 ARG A 41 4.711 4.155 -10.777 1.00 0.00 H new ATOM 0 HH12 ARG A 41 4.602 5.914 -10.893 1.00 0.00 H new ATOM 0 HH21 ARG A 41 1.165 5.946 -11.605 1.00 0.00 H new ATOM 0 HH22 ARG A 41 2.622 6.914 -11.355 1.00 0.00 H new ATOM 671 N ASN A 42 3.393 -2.890 -10.015 1.00 0.00 N ATOM 672 CA ASN A 42 4.284 -4.065 -9.894 1.00 0.00 C ATOM 673 C ASN A 42 4.447 -4.374 -8.395 1.00 0.00 C ATOM 674 O ASN A 42 3.932 -3.636 -7.558 1.00 0.00 O ATOM 675 CB ASN A 42 5.659 -3.773 -10.588 1.00 0.00 C ATOM 676 CG ASN A 42 6.604 -4.988 -10.692 1.00 0.00 C ATOM 677 OD1 ASN A 42 6.174 -6.141 -10.718 1.00 0.00 O ATOM 678 ND2 ASN A 42 7.900 -4.741 -10.772 1.00 0.00 N ATOM 0 H ASN A 42 3.440 -2.265 -9.210 1.00 0.00 H new ATOM 0 HA ASN A 42 3.859 -4.935 -10.395 1.00 0.00 H new ATOM 0 HB2 ASN A 42 5.469 -3.391 -11.591 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.167 -2.982 -10.037 1.00 0.00 H new ATOM 0 HD21 ASN A 42 8.562 -5.512 -10.857 1.00 0.00 H new ATOM 0 HD22 ASN A 42 8.238 -3.779 -10.749 1.00 0.00 H new ATOM 685 N VAL A 43 5.122 -5.481 -8.054 1.00 0.00 N ATOM 686 CA VAL A 43 5.402 -5.857 -6.658 1.00 0.00 C ATOM 687 C VAL A 43 6.912 -5.754 -6.357 1.00 0.00 C ATOM 688 O VAL A 43 7.435 -6.459 -5.491 1.00 0.00 O ATOM 689 CB VAL A 43 4.843 -7.307 -6.365 1.00 0.00 C ATOM 690 CG1 VAL A 43 3.321 -7.373 -6.632 1.00 0.00 C ATOM 691 CG2 VAL A 43 5.579 -8.403 -7.174 1.00 0.00 C ATOM 0 H VAL A 43 5.490 -6.142 -8.738 1.00 0.00 H new ATOM 0 HA VAL A 43 4.892 -5.160 -5.993 1.00 0.00 H new ATOM 0 HB VAL A 43 5.029 -7.506 -5.310 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.958 -8.380 -6.424 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.807 -6.661 -5.986 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.123 -7.125 -7.675 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.155 -9.378 -6.934 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.462 -8.209 -8.240 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.638 -8.395 -6.918 1.00 0.00 H new ATOM 914 N ILE A 57 2.931 -12.172 -7.569 1.00 0.00 N ATOM 915 CA ILE A 57 2.958 -12.651 -6.174 1.00 0.00 C ATOM 916 C ILE A 57 3.063 -11.473 -5.183 1.00 0.00 C ATOM 917 O ILE A 57 4.072 -10.748 -5.123 1.00 0.00 O ATOM 918 CB ILE A 57 4.101 -13.707 -5.892 1.00 0.00 C ATOM 919 CG1 ILE A 57 5.528 -13.153 -6.235 1.00 0.00 C ATOM 920 CG2 ILE A 57 3.820 -15.029 -6.648 1.00 0.00 C ATOM 921 CD1 ILE A 57 6.677 -14.036 -5.776 1.00 0.00 C ATOM 0 HA ILE A 57 2.010 -13.167 -6.021 1.00 0.00 H new ATOM 0 HB ILE A 57 4.094 -13.909 -4.821 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.601 -13.017 -7.314 1.00 0.00 H new ATOM 0 HG13 ILE A 57 5.640 -12.168 -5.781 1.00 0.00 H new ATOM 0 HG21 ILE A 57 4.617 -15.743 -6.441 1.00 0.00 H new ATOM 0 HG22 ILE A 57 2.868 -15.443 -6.316 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.777 -14.833 -7.719 1.00 0.00 H new ATOM 0 HD11 ILE A 57 7.624 -13.575 -6.055 1.00 0.00 H new ATOM 0 HD12 ILE A 57 6.636 -14.153 -4.693 1.00 0.00 H new ATOM 0 HD13 ILE A 57 6.596 -15.014 -6.250 1.00 0.00 H new ATOM 933 N ILE A 58 1.971 -11.250 -4.460 1.00 0.00 N ATOM 934 CA ILE A 58 1.909 -10.286 -3.369 1.00 0.00 C ATOM 935 C ILE A 58 1.988 -11.065 -2.054 1.00 0.00 C ATOM 936 O ILE A 58 1.077 -11.817 -1.719 1.00 0.00 O ATOM 937 CB ILE A 58 0.589 -9.426 -3.445 1.00 0.00 C ATOM 938 CG1 ILE A 58 0.513 -8.701 -4.830 1.00 0.00 C ATOM 939 CG2 ILE A 58 0.504 -8.409 -2.272 1.00 0.00 C ATOM 940 CD1 ILE A 58 -0.703 -7.830 -5.050 1.00 0.00 C ATOM 0 H ILE A 58 1.091 -11.741 -4.618 1.00 0.00 H new ATOM 0 HA ILE A 58 2.741 -9.585 -3.439 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.267 -10.094 -3.349 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.404 -8.084 -4.946 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.543 -9.455 -5.616 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.418 -7.833 -2.356 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.512 -8.946 -1.324 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.359 -7.734 -2.313 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.652 -7.378 -6.040 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.605 -8.438 -4.975 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.730 -7.046 -4.294 1.00 0.00 H new ATOM 952 N THR A 59 3.121 -10.948 -1.366 1.00 0.00 N ATOM 953 CA THR A 59 3.320 -11.540 -0.038 1.00 0.00 C ATOM 954 C THR A 59 3.119 -10.458 1.032 1.00 0.00 C ATOM 955 O THR A 59 3.311 -9.264 0.755 1.00 0.00 O ATOM 956 CB THR A 59 4.747 -12.184 0.073 1.00 0.00 C ATOM 957 OG1 THR A 59 5.747 -11.260 -0.405 1.00 0.00 O ATOM 958 CG2 THR A 59 4.845 -13.496 -0.731 1.00 0.00 C ATOM 0 H THR A 59 3.933 -10.438 -1.713 1.00 0.00 H new ATOM 0 HA THR A 59 2.589 -12.334 0.118 1.00 0.00 H new ATOM 0 HB THR A 59 4.921 -12.411 1.125 1.00 0.00 H new ATOM 0 HG1 THR A 59 6.634 -11.670 -0.330 1.00 0.00 H new ATOM 0 HG21 THR A 59 5.848 -13.911 -0.629 1.00 0.00 H new ATOM 0 HG22 THR A 59 4.116 -14.211 -0.351 1.00 0.00 H new ATOM 0 HG23 THR A 59 4.641 -13.294 -1.783 1.00 0.00 H new ATOM 966 N ARG A 60 2.691 -10.870 2.236 1.00 0.00 N ATOM 967 CA ARG A 60 2.537 -9.952 3.375 1.00 0.00 C ATOM 968 C ARG A 60 3.931 -9.449 3.814 1.00 0.00 C ATOM 969 O ARG A 60 4.855 -10.251 4.016 1.00 0.00 O ATOM 970 CB ARG A 60 1.796 -10.636 4.558 1.00 0.00 C ATOM 971 CG ARG A 60 1.576 -9.710 5.771 1.00 0.00 C ATOM 972 CD ARG A 60 0.889 -10.411 6.947 1.00 0.00 C ATOM 973 NE ARG A 60 0.796 -9.519 8.118 1.00 0.00 N ATOM 974 CZ ARG A 60 0.057 -9.753 9.222 1.00 0.00 C ATOM 975 NH1 ARG A 60 -0.694 -10.844 9.322 1.00 0.00 N ATOM 976 NH2 ARG A 60 0.080 -8.887 10.225 1.00 0.00 N ATOM 0 H ARG A 60 2.445 -11.837 2.446 1.00 0.00 H new ATOM 0 HA ARG A 60 1.928 -9.103 3.064 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.829 -10.998 4.209 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.367 -11.508 4.877 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.538 -9.319 6.101 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.973 -8.855 5.463 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -0.110 -10.731 6.650 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.446 -11.309 7.214 1.00 0.00 H new ATOM 0 HE ARG A 60 1.335 -8.654 8.091 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.717 -11.519 8.558 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -1.247 -11.007 10.163 1.00 0.00 H new ATOM 0 HH21 ARG A 60 0.655 -8.047 10.160 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.477 -9.060 11.061 1.00 0.00 H new ATOM 990 N GLY A 61 4.069 -8.122 3.921 1.00 0.00 N ATOM 991 CA GLY A 61 5.337 -7.479 4.259 1.00 0.00 C ATOM 992 C GLY A 61 6.208 -7.213 3.039 1.00 0.00 C ATOM 993 O GLY A 61 7.385 -6.885 3.189 1.00 0.00 O ATOM 0 H GLY A 61 3.302 -7.466 3.775 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.137 -6.537 4.769 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.884 -8.110 4.959 1.00 0.00 H new ATOM 997 N ALA A 62 5.639 -7.365 1.827 1.00 0.00 N ATOM 998 CA ALA A 62 6.350 -7.064 0.571 1.00 0.00 C ATOM 999 C ALA A 62 6.148 -5.596 0.191 1.00 0.00 C ATOM 1000 O ALA A 62 5.099 -5.007 0.493 1.00 0.00 O ATOM 1001 CB ALA A 62 5.877 -7.978 -0.572 1.00 0.00 C ATOM 0 H ALA A 62 4.684 -7.696 1.692 1.00 0.00 H new ATOM 0 HA ALA A 62 7.412 -7.250 0.732 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.420 -7.731 -1.484 1.00 0.00 H new ATOM 0 HB2 ALA A 62 6.066 -9.018 -0.308 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.809 -7.833 -0.735 1.00 0.00 H new ATOM 1007 N VAL A 63 7.165 -5.013 -0.460 1.00 0.00 N ATOM 1008 CA VAL A 63 7.068 -3.677 -1.056 1.00 0.00 C ATOM 1009 C VAL A 63 6.437 -3.806 -2.448 1.00 0.00 C ATOM 1010 O VAL A 63 7.009 -4.434 -3.342 1.00 0.00 O ATOM 1011 CB VAL A 63 8.470 -2.981 -1.172 1.00 0.00 C ATOM 1012 CG1 VAL A 63 8.355 -1.563 -1.768 1.00 0.00 C ATOM 1013 CG2 VAL A 63 9.198 -2.950 0.187 1.00 0.00 C ATOM 0 H VAL A 63 8.075 -5.455 -0.587 1.00 0.00 H new ATOM 0 HA VAL A 63 6.450 -3.055 -0.408 1.00 0.00 H new ATOM 0 HB VAL A 63 9.068 -3.580 -1.859 1.00 0.00 H new ATOM 0 HG11 VAL A 63 9.346 -1.114 -1.832 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.918 -1.622 -2.765 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.720 -0.950 -1.129 1.00 0.00 H new ATOM 0 HG21 VAL A 63 10.165 -2.461 0.071 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.597 -2.397 0.909 1.00 0.00 H new ATOM 0 HG23 VAL A 63 9.347 -3.969 0.543 1.00 0.00 H new ATOM 1023 N VAL A 64 5.238 -3.239 -2.612 1.00 0.00 N ATOM 1024 CA VAL A 64 4.561 -3.163 -3.910 1.00 0.00 C ATOM 1025 C VAL A 64 4.661 -1.730 -4.464 1.00 0.00 C ATOM 1026 O VAL A 64 4.635 -0.752 -3.709 1.00 0.00 O ATOM 1027 CB VAL A 64 3.055 -3.633 -3.828 1.00 0.00 C ATOM 1028 CG1 VAL A 64 2.959 -5.138 -3.459 1.00 0.00 C ATOM 1029 CG2 VAL A 64 2.230 -2.773 -2.837 1.00 0.00 C ATOM 0 H VAL A 64 4.709 -2.819 -1.848 1.00 0.00 H new ATOM 0 HA VAL A 64 5.064 -3.849 -4.591 1.00 0.00 H new ATOM 0 HB VAL A 64 2.624 -3.492 -4.819 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.911 -5.434 -3.409 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.469 -5.732 -4.218 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.430 -5.306 -2.490 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.201 -3.132 -2.813 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.664 -2.849 -1.840 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.244 -1.732 -3.160 1.00 0.00 H new ATOM 1039 N GLU A 65 4.788 -1.624 -5.784 1.00 0.00 N ATOM 1040 CA GLU A 65 4.806 -0.343 -6.498 1.00 0.00 C ATOM 1041 C GLU A 65 3.366 -0.012 -6.909 1.00 0.00 C ATOM 1042 O GLU A 65 2.689 -0.855 -7.507 1.00 0.00 O ATOM 1043 CB GLU A 65 5.709 -0.448 -7.754 1.00 0.00 C ATOM 1044 CG GLU A 65 5.860 0.869 -8.545 1.00 0.00 C ATOM 1045 CD GLU A 65 6.569 0.682 -9.898 1.00 0.00 C ATOM 1046 OE1 GLU A 65 7.749 0.286 -9.919 1.00 0.00 O ATOM 1047 OE2 GLU A 65 5.953 0.941 -10.952 1.00 0.00 O ATOM 0 H GLU A 65 4.883 -2.433 -6.398 1.00 0.00 H new ATOM 0 HA GLU A 65 5.206 0.443 -5.857 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.698 -0.789 -7.448 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.301 -1.211 -8.417 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.873 1.299 -8.715 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.420 1.585 -7.944 1.00 0.00 H new ATOM 1054 N THR A 66 2.892 1.192 -6.573 1.00 0.00 N ATOM 1055 CA THR A 66 1.534 1.644 -6.911 1.00 0.00 C ATOM 1056 C THR A 66 1.609 3.012 -7.591 1.00 0.00 C ATOM 1057 O THR A 66 2.704 3.551 -7.793 1.00 0.00 O ATOM 1058 CB THR A 66 0.606 1.718 -5.644 1.00 0.00 C ATOM 1059 OG1 THR A 66 1.068 2.736 -4.743 1.00 0.00 O ATOM 1060 CG2 THR A 66 0.536 0.371 -4.896 1.00 0.00 C ATOM 0 H THR A 66 3.438 1.883 -6.058 1.00 0.00 H new ATOM 0 HA THR A 66 1.094 0.914 -7.591 1.00 0.00 H new ATOM 0 HB THR A 66 -0.395 1.962 -5.998 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.025 2.613 -4.573 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.116 0.470 -4.028 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.139 -0.395 -5.562 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.535 0.085 -4.568 1.00 0.00 H new ATOM 1068 N ASN A 67 0.441 3.566 -7.964 1.00 0.00 N ATOM 1069 CA ASN A 67 0.347 4.920 -8.557 1.00 0.00 C ATOM 1070 C ASN A 67 0.696 6.012 -7.532 1.00 0.00 C ATOM 1071 O ASN A 67 1.028 7.133 -7.921 1.00 0.00 O ATOM 1072 CB ASN A 67 -1.055 5.174 -9.163 1.00 0.00 C ATOM 1073 CG ASN A 67 -1.360 4.322 -10.402 1.00 0.00 C ATOM 1074 OD1 ASN A 67 -0.831 3.224 -10.570 1.00 0.00 O ATOM 1075 ND2 ASN A 67 -2.235 4.820 -11.271 1.00 0.00 N ATOM 0 H ASN A 67 -0.459 3.096 -7.866 1.00 0.00 H new ATOM 0 HA ASN A 67 1.080 4.968 -9.362 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -1.810 4.975 -8.403 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -1.140 6.228 -9.429 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -2.485 4.288 -12.105 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -2.657 5.734 -11.103 1.00 0.00 H new ATOM 1082 N LEU A 68 0.635 5.670 -6.227 1.00 0.00 N ATOM 1083 CA LEU A 68 0.970 6.599 -5.131 1.00 0.00 C ATOM 1084 C LEU A 68 2.466 6.483 -4.788 1.00 0.00 C ATOM 1085 O LEU A 68 3.165 7.490 -4.643 1.00 0.00 O ATOM 1086 CB LEU A 68 0.087 6.296 -3.890 1.00 0.00 C ATOM 1087 CG LEU A 68 -1.454 6.472 -4.100 1.00 0.00 C ATOM 1088 CD1 LEU A 68 -2.252 6.101 -2.828 1.00 0.00 C ATOM 1089 CD2 LEU A 68 -1.802 7.906 -4.571 1.00 0.00 C ATOM 0 H LEU A 68 0.353 4.744 -5.906 1.00 0.00 H new ATOM 0 HA LEU A 68 0.770 7.622 -5.448 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.278 5.271 -3.572 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.402 6.947 -3.074 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.749 5.779 -4.888 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.317 6.237 -3.014 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.059 5.060 -2.568 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.943 6.744 -2.004 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.880 7.993 -4.707 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.472 8.625 -3.822 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.300 8.110 -5.516 1.00 0.00 H new ATOM 1101 N GLY A 69 2.932 5.234 -4.659 1.00 0.00 N ATOM 1102 CA GLY A 69 4.340 4.936 -4.397 1.00 0.00 C ATOM 1103 C GLY A 69 4.530 3.518 -3.892 1.00 0.00 C ATOM 1104 O GLY A 69 3.739 2.625 -4.209 1.00 0.00 O ATOM 0 H GLY A 69 2.342 4.405 -4.734 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.918 5.077 -5.310 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.730 5.639 -3.661 1.00 0.00 H new ATOM 1108 N ASN A 70 5.601 3.302 -3.129 1.00 0.00 N ATOM 1109 CA ASN A 70 5.881 2.002 -2.493 1.00 0.00 C ATOM 1110 C ASN A 70 4.987 1.807 -1.272 1.00 0.00 C ATOM 1111 O ASN A 70 4.739 2.748 -0.526 1.00 0.00 O ATOM 1112 CB ASN A 70 7.373 1.913 -2.097 1.00 0.00 C ATOM 1113 CG ASN A 70 8.308 1.818 -3.301 1.00 0.00 C ATOM 1114 OD1 ASN A 70 9.379 2.401 -3.293 1.00 0.00 O ATOM 1115 ND2 ASN A 70 7.934 1.037 -4.320 1.00 0.00 N ATOM 0 H ASN A 70 6.301 4.017 -2.931 1.00 0.00 H new ATOM 0 HA ASN A 70 5.665 1.207 -3.206 1.00 0.00 H new ATOM 0 HB2 ASN A 70 7.639 2.790 -1.506 1.00 0.00 H new ATOM 0 HB3 ASN A 70 7.522 1.042 -1.459 1.00 0.00 H new ATOM 0 HD21 ASN A 70 8.552 0.915 -5.122 1.00 0.00 H new ATOM 0 HD22 ASN A 70 7.031 0.563 -4.295 1.00 0.00 H new ATOM 1122 N VAL A 71 4.437 0.597 -1.106 1.00 0.00 N ATOM 1123 CA VAL A 71 3.548 0.266 0.029 1.00 0.00 C ATOM 1124 C VAL A 71 3.991 -1.066 0.671 1.00 0.00 C ATOM 1125 O VAL A 71 4.397 -1.986 -0.036 1.00 0.00 O ATOM 1126 CB VAL A 71 2.044 0.147 -0.460 1.00 0.00 C ATOM 1127 CG1 VAL A 71 1.058 0.017 0.718 1.00 0.00 C ATOM 1128 CG2 VAL A 71 1.641 1.328 -1.376 1.00 0.00 C ATOM 0 H VAL A 71 4.591 -0.180 -1.748 1.00 0.00 H new ATOM 0 HA VAL A 71 3.616 1.065 0.767 1.00 0.00 H new ATOM 0 HB VAL A 71 1.985 -0.771 -1.045 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.041 -0.062 0.334 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.298 -0.875 1.296 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.137 0.896 1.358 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.604 1.208 -1.689 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.750 2.265 -0.830 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.286 1.343 -2.255 1.00 0.00 H new ATOM 1138 N ARG A 72 3.897 -1.155 2.011 1.00 0.00 N ATOM 1139 CA ARG A 72 4.081 -2.415 2.749 1.00 0.00 C ATOM 1140 C ARG A 72 2.716 -3.093 2.858 1.00 0.00 C ATOM 1141 O ARG A 72 1.775 -2.490 3.382 1.00 0.00 O ATOM 1142 CB ARG A 72 4.661 -2.185 4.178 1.00 0.00 C ATOM 1143 CG ARG A 72 6.170 -1.899 4.235 1.00 0.00 C ATOM 1144 CD ARG A 72 7.032 -3.085 3.760 1.00 0.00 C ATOM 1145 NE ARG A 72 8.475 -2.795 3.890 1.00 0.00 N ATOM 1146 CZ ARG A 72 9.477 -3.648 3.599 1.00 0.00 C ATOM 1147 NH1 ARG A 72 9.236 -4.873 3.148 1.00 0.00 N ATOM 1148 NH2 ARG A 72 10.729 -3.262 3.755 1.00 0.00 N ATOM 0 H ARG A 72 3.692 -0.356 2.610 1.00 0.00 H new ATOM 0 HA ARG A 72 4.797 -3.035 2.210 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.132 -1.350 4.637 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.452 -3.067 4.784 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.391 -1.028 3.619 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.446 -1.644 5.258 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.785 -3.972 4.343 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.798 -3.312 2.720 1.00 0.00 H new ATOM 0 HE ARG A 72 8.735 -1.869 4.229 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.275 -5.187 3.015 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.012 -5.500 2.935 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.934 -2.322 4.094 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.491 -3.903 3.536 1.00 0.00 H new ATOM 1162 N VAL A 73 2.612 -4.334 2.368 1.00 0.00 N ATOM 1163 CA VAL A 73 1.350 -5.088 2.401 1.00 0.00 C ATOM 1164 C VAL A 73 1.096 -5.603 3.836 1.00 0.00 C ATOM 1165 O VAL A 73 1.638 -6.632 4.242 1.00 0.00 O ATOM 1166 CB VAL A 73 1.404 -6.282 1.376 1.00 0.00 C ATOM 1167 CG1 VAL A 73 0.101 -7.114 1.377 1.00 0.00 C ATOM 1168 CG2 VAL A 73 1.723 -5.762 -0.045 1.00 0.00 C ATOM 0 H VAL A 73 3.389 -4.840 1.942 1.00 0.00 H new ATOM 0 HA VAL A 73 0.527 -4.434 2.113 1.00 0.00 H new ATOM 0 HB VAL A 73 2.206 -6.947 1.696 1.00 0.00 H new ATOM 0 HG11 VAL A 73 0.187 -7.925 0.654 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.065 -7.529 2.371 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.739 -6.475 1.106 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.756 -6.601 -0.740 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.949 -5.061 -0.358 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.689 -5.257 -0.039 1.00 0.00 H new ATOM 1178 N THR A 74 0.301 -4.847 4.606 1.00 0.00 N ATOM 1179 CA THR A 74 -0.047 -5.205 5.992 1.00 0.00 C ATOM 1180 C THR A 74 -1.150 -6.280 6.029 1.00 0.00 C ATOM 1181 O THR A 74 -1.092 -7.223 6.832 1.00 0.00 O ATOM 1182 CB THR A 74 -0.489 -3.937 6.787 1.00 0.00 C ATOM 1183 OG1 THR A 74 -1.583 -3.304 6.116 1.00 0.00 O ATOM 1184 CG2 THR A 74 0.669 -2.931 6.927 1.00 0.00 C ATOM 0 H THR A 74 -0.119 -3.973 4.289 1.00 0.00 H new ATOM 0 HA THR A 74 0.841 -5.622 6.466 1.00 0.00 H new ATOM 0 HB THR A 74 -0.793 -4.255 7.784 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.859 -2.509 6.618 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.328 -2.059 7.486 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.497 -3.401 7.458 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.002 -2.620 5.937 1.00 0.00 H new ATOM 1192 N SER A 75 -2.149 -6.117 5.148 1.00 0.00 N ATOM 1193 CA SER A 75 -3.243 -7.082 4.984 1.00 0.00 C ATOM 1194 C SER A 75 -2.882 -8.104 3.903 1.00 0.00 C ATOM 1195 O SER A 75 -2.719 -7.747 2.730 1.00 0.00 O ATOM 1196 CB SER A 75 -4.548 -6.347 4.634 1.00 0.00 C ATOM 1197 OG SER A 75 -4.886 -5.416 5.651 1.00 0.00 O ATOM 0 H SER A 75 -2.219 -5.310 4.529 1.00 0.00 H new ATOM 0 HA SER A 75 -3.394 -7.616 5.922 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.435 -5.829 3.682 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.356 -7.068 4.511 1.00 0.00 H new ATOM 0 HG SER A 75 -5.860 -5.316 5.692 1.00 0.00 H new ATOM 1203 N ARG A 76 -2.743 -9.370 4.331 1.00 0.00 N ATOM 1204 CA ARG A 76 -2.447 -10.519 3.476 1.00 0.00 C ATOM 1205 C ARG A 76 -3.512 -10.633 2.338 1.00 0.00 C ATOM 1206 O ARG A 76 -4.707 -10.484 2.608 1.00 0.00 O ATOM 1207 CB ARG A 76 -2.381 -11.784 4.403 1.00 0.00 C ATOM 1208 CG ARG A 76 -1.980 -13.138 3.754 1.00 0.00 C ATOM 1209 CD ARG A 76 -3.154 -13.895 3.115 1.00 0.00 C ATOM 1210 NE ARG A 76 -4.209 -14.190 4.095 1.00 0.00 N ATOM 1211 CZ ARG A 76 -5.447 -14.603 3.798 1.00 0.00 C ATOM 1212 NH1 ARG A 76 -5.861 -14.683 2.541 1.00 0.00 N ATOM 1213 NH2 ARG A 76 -6.289 -14.905 4.772 1.00 0.00 N ATOM 0 H ARG A 76 -2.838 -9.624 5.314 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.489 -10.413 2.967 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.674 -11.575 5.205 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -3.360 -11.911 4.866 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -1.222 -12.954 2.993 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.522 -13.772 4.513 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.570 -13.301 2.301 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.792 -14.826 2.679 1.00 0.00 H new ATOM 0 HE ARG A 76 -3.979 -14.070 5.081 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -5.232 -14.427 1.780 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -6.808 -15.000 2.335 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -5.994 -14.823 5.745 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -7.233 -15.220 4.550 1.00 0.00 H new ATOM 1227 N PRO A 77 -3.095 -10.881 1.049 1.00 0.00 N ATOM 1228 CA PRO A 77 -4.033 -10.949 -0.111 1.00 0.00 C ATOM 1229 C PRO A 77 -5.084 -12.073 0.046 1.00 0.00 C ATOM 1230 O PRO A 77 -4.734 -13.228 0.319 1.00 0.00 O ATOM 1231 CB PRO A 77 -3.096 -11.221 -1.326 1.00 0.00 C ATOM 1232 CG PRO A 77 -1.875 -11.833 -0.715 1.00 0.00 C ATOM 1233 CD PRO A 77 -1.691 -11.114 0.606 1.00 0.00 C ATOM 0 HA PRO A 77 -4.620 -10.036 -0.216 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.562 -11.894 -2.046 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.857 -10.301 -1.859 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -2.004 -12.905 -0.566 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -1.005 -11.703 -1.359 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -1.135 -11.719 1.322 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.144 -10.179 0.486 1.00 0.00 H new ATOM 1241 N GLY A 78 -6.363 -11.721 -0.145 1.00 0.00 N ATOM 1242 CA GLY A 78 -7.478 -12.667 -0.032 1.00 0.00 C ATOM 1243 C GLY A 78 -8.417 -12.332 1.115 1.00 0.00 C ATOM 1244 O GLY A 78 -9.551 -12.825 1.142 1.00 0.00 O ATOM 0 H GLY A 78 -6.652 -10.772 -0.382 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -8.040 -12.673 -0.966 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -7.083 -13.673 0.109 1.00 0.00 H new ATOM 1248 N GLN A 79 -7.933 -11.509 2.077 1.00 0.00 N ATOM 1249 CA GLN A 79 -8.739 -11.053 3.225 1.00 0.00 C ATOM 1250 C GLN A 79 -9.855 -10.115 2.728 1.00 0.00 C ATOM 1251 O GLN A 79 -9.596 -8.946 2.421 1.00 0.00 O ATOM 1252 CB GLN A 79 -7.837 -10.359 4.286 1.00 0.00 C ATOM 1253 CG GLN A 79 -6.739 -11.283 4.865 1.00 0.00 C ATOM 1254 CD GLN A 79 -5.799 -10.596 5.862 1.00 0.00 C ATOM 1255 OE1 GLN A 79 -5.565 -9.391 5.793 1.00 0.00 O ATOM 1256 NE2 GLN A 79 -5.225 -11.363 6.774 1.00 0.00 N ATOM 0 H GLN A 79 -6.979 -11.147 2.075 1.00 0.00 H new ATOM 0 HA GLN A 79 -9.202 -11.913 3.708 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -7.365 -9.486 3.835 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -8.463 -9.997 5.102 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -7.216 -12.130 5.358 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -6.147 -11.684 4.042 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -5.437 -12.360 6.809 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -4.570 -10.957 7.443 1.00 0.00 H new ATOM 1265 N ASP A 80 -11.074 -10.705 2.569 1.00 0.00 N ATOM 1266 CA ASP A 80 -12.286 -10.057 1.997 1.00 0.00 C ATOM 1267 C ASP A 80 -12.191 -9.899 0.464 1.00 0.00 C ATOM 1268 O ASP A 80 -13.141 -9.445 -0.158 1.00 0.00 O ATOM 1269 CB ASP A 80 -12.630 -8.696 2.677 1.00 0.00 C ATOM 1270 CG ASP A 80 -13.134 -8.837 4.122 1.00 0.00 C ATOM 1271 OD1 ASP A 80 -12.301 -8.869 5.055 1.00 0.00 O ATOM 1272 OD2 ASP A 80 -14.359 -8.916 4.326 1.00 0.00 O ATOM 0 H ASP A 80 -11.243 -11.673 2.844 1.00 0.00 H new ATOM 0 HA ASP A 80 -13.111 -10.736 2.214 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -11.743 -8.063 2.671 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -13.390 -8.186 2.085 1.00 0.00 H new ATOM 1277 N GLY A 81 -11.051 -10.301 -0.133 1.00 0.00 N ATOM 1278 CA GLY A 81 -10.812 -10.169 -1.577 1.00 0.00 C ATOM 1279 C GLY A 81 -10.182 -8.831 -1.943 1.00 0.00 C ATOM 1280 O GLY A 81 -9.936 -8.560 -3.121 1.00 0.00 O ATOM 0 H GLY A 81 -10.274 -10.725 0.374 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -10.161 -10.977 -1.910 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -11.756 -10.281 -2.110 1.00 0.00 H new ATOM 1284 N VAL A 82 -9.952 -7.989 -0.926 1.00 0.00 N ATOM 1285 CA VAL A 82 -9.274 -6.688 -1.058 1.00 0.00 C ATOM 1286 C VAL A 82 -7.943 -6.713 -0.273 1.00 0.00 C ATOM 1287 O VAL A 82 -7.819 -7.430 0.724 1.00 0.00 O ATOM 1288 CB VAL A 82 -10.221 -5.534 -0.536 1.00 0.00 C ATOM 1289 CG1 VAL A 82 -10.682 -5.775 0.926 1.00 0.00 C ATOM 1290 CG2 VAL A 82 -9.577 -4.134 -0.682 1.00 0.00 C ATOM 0 H VAL A 82 -10.237 -8.196 0.031 1.00 0.00 H new ATOM 0 HA VAL A 82 -9.050 -6.496 -2.107 1.00 0.00 H new ATOM 0 HB VAL A 82 -11.105 -5.558 -1.174 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -11.330 -4.958 1.242 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -11.229 -6.716 0.985 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -9.811 -5.821 1.579 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -10.266 -3.376 -0.310 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -8.652 -4.097 -0.107 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -9.359 -3.942 -1.732 1.00 0.00 H new ATOM 1300 N ILE A 83 -6.932 -5.965 -0.752 1.00 0.00 N ATOM 1301 CA ILE A 83 -5.651 -5.781 -0.032 1.00 0.00 C ATOM 1302 C ILE A 83 -5.611 -4.381 0.599 1.00 0.00 C ATOM 1303 O ILE A 83 -6.154 -3.421 0.038 1.00 0.00 O ATOM 1304 CB ILE A 83 -4.417 -5.967 -0.994 1.00 0.00 C ATOM 1305 CG1 ILE A 83 -4.511 -7.339 -1.730 1.00 0.00 C ATOM 1306 CG2 ILE A 83 -3.071 -5.860 -0.227 1.00 0.00 C ATOM 1307 CD1 ILE A 83 -3.343 -7.658 -2.640 1.00 0.00 C ATOM 0 H ILE A 83 -6.976 -5.472 -1.644 1.00 0.00 H new ATOM 0 HA ILE A 83 -5.588 -6.541 0.747 1.00 0.00 H new ATOM 0 HB ILE A 83 -4.444 -5.162 -1.729 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.598 -8.129 -0.984 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.427 -7.356 -2.320 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -2.244 -5.994 -0.924 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.996 -4.879 0.241 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.027 -6.633 0.541 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -3.500 -8.631 -3.106 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -3.265 -6.894 -3.413 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -2.422 -7.679 -2.057 1.00 0.00 H new ATOM 1319 N ASN A 84 -4.980 -4.283 1.778 1.00 0.00 N ATOM 1320 CA ASN A 84 -4.733 -3.006 2.480 1.00 0.00 C ATOM 1321 C ASN A 84 -3.241 -2.960 2.874 1.00 0.00 C ATOM 1322 O ASN A 84 -2.599 -4.011 3.019 1.00 0.00 O ATOM 1323 CB ASN A 84 -5.633 -2.864 3.743 1.00 0.00 C ATOM 1324 CG ASN A 84 -7.138 -3.079 3.494 1.00 0.00 C ATOM 1325 OD1 ASN A 84 -7.660 -2.790 2.423 1.00 0.00 O ATOM 1326 ND2 ASN A 84 -7.847 -3.588 4.488 1.00 0.00 N ATOM 0 H ASN A 84 -4.621 -5.095 2.280 1.00 0.00 H new ATOM 0 HA ASN A 84 -4.981 -2.175 1.819 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -5.298 -3.581 4.493 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -5.488 -1.870 4.165 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -8.848 -3.747 4.371 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -7.393 -3.822 5.371 1.00 0.00 H new ATOM 1333 N GLY A 85 -2.695 -1.751 3.036 1.00 0.00 N ATOM 1334 CA GLY A 85 -1.279 -1.578 3.366 1.00 0.00 C ATOM 1335 C GLY A 85 -0.960 -0.187 3.880 1.00 0.00 C ATOM 1336 O GLY A 85 -1.866 0.627 4.043 1.00 0.00 O ATOM 0 H GLY A 85 -3.214 -0.877 2.944 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.994 -2.313 4.119 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.677 -1.780 2.480 1.00 0.00 H new ATOM 1340 N VAL A 86 0.326 0.080 4.172 1.00 0.00 N ATOM 1341 CA VAL A 86 0.796 1.407 4.652 1.00 0.00 C ATOM 1342 C VAL A 86 1.857 1.987 3.699 1.00 0.00 C ATOM 1343 O VAL A 86 2.740 1.263 3.232 1.00 0.00 O ATOM 1344 CB VAL A 86 1.361 1.346 6.123 1.00 0.00 C ATOM 1345 CG1 VAL A 86 0.237 1.063 7.145 1.00 0.00 C ATOM 1346 CG2 VAL A 86 2.495 0.301 6.239 1.00 0.00 C ATOM 0 H VAL A 86 1.072 -0.610 4.085 1.00 0.00 H new ATOM 0 HA VAL A 86 -0.073 2.065 4.663 1.00 0.00 H new ATOM 0 HB VAL A 86 1.781 2.324 6.357 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.659 1.027 8.149 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.510 1.855 7.093 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.232 0.107 6.914 1.00 0.00 H new ATOM 0 HG21 VAL A 86 2.867 0.280 7.263 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.111 -0.684 5.971 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.308 0.569 5.564 1.00 0.00 H new ATOM 1356 N LEU A 87 1.750 3.295 3.398 1.00 0.00 N ATOM 1357 CA LEU A 87 2.658 3.976 2.459 1.00 0.00 C ATOM 1358 C LEU A 87 4.105 4.037 3.003 1.00 0.00 C ATOM 1359 O LEU A 87 4.345 4.518 4.110 1.00 0.00 O ATOM 1360 CB LEU A 87 2.149 5.414 2.173 1.00 0.00 C ATOM 1361 CG LEU A 87 2.946 6.230 1.092 1.00 0.00 C ATOM 1362 CD1 LEU A 87 2.911 5.534 -0.293 1.00 0.00 C ATOM 1363 CD2 LEU A 87 2.420 7.679 0.985 1.00 0.00 C ATOM 0 H LEU A 87 1.036 3.905 3.797 1.00 0.00 H new ATOM 0 HA LEU A 87 2.668 3.398 1.535 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.108 5.352 1.857 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.166 5.975 3.107 1.00 0.00 H new ATOM 0 HG LEU A 87 3.985 6.266 1.420 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.473 6.129 -1.013 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.358 4.543 -0.214 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.878 5.441 -0.627 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.991 8.218 0.229 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.367 7.664 0.702 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.530 8.178 1.948 1.00 0.00 H new ATOM 1375 N ILE A 88 5.060 3.529 2.221 1.00 0.00 N ATOM 1376 CA ILE A 88 6.499 3.717 2.471 1.00 0.00 C ATOM 1377 C ILE A 88 7.145 4.445 1.277 1.00 0.00 C ATOM 1378 O ILE A 88 6.555 4.571 0.201 1.00 0.00 O ATOM 1379 CB ILE A 88 7.253 2.369 2.772 1.00 0.00 C ATOM 1380 CG1 ILE A 88 7.092 1.358 1.595 1.00 0.00 C ATOM 1381 CG2 ILE A 88 6.774 1.757 4.118 1.00 0.00 C ATOM 1382 CD1 ILE A 88 7.947 0.115 1.704 1.00 0.00 C ATOM 0 H ILE A 88 4.860 2.972 1.390 1.00 0.00 H new ATOM 0 HA ILE A 88 6.593 4.327 3.369 1.00 0.00 H new ATOM 0 HB ILE A 88 8.316 2.590 2.867 1.00 0.00 H new ATOM 0 HG12 ILE A 88 6.046 1.058 1.533 1.00 0.00 H new ATOM 0 HG13 ILE A 88 7.333 1.867 0.662 1.00 0.00 H new ATOM 0 HG21 ILE A 88 7.309 0.826 4.305 1.00 0.00 H new ATOM 0 HG22 ILE A 88 6.973 2.459 4.928 1.00 0.00 H new ATOM 0 HG23 ILE A 88 5.704 1.557 4.066 1.00 0.00 H new ATOM 0 HD11 ILE A 88 7.767 -0.527 0.842 1.00 0.00 H new ATOM 0 HD12 ILE A 88 8.999 0.398 1.732 1.00 0.00 H new ATOM 0 HD13 ILE A 88 7.692 -0.423 2.617 1.00 0.00 H new ATOM 1394 N ARG A 89 8.357 4.951 1.499 1.00 0.00 N ATOM 1395 CA ARG A 89 9.092 5.767 0.523 1.00 0.00 C ATOM 1396 C ARG A 89 10.507 5.198 0.410 1.00 0.00 C ATOM 1397 O ARG A 89 11.401 5.590 1.165 1.00 0.00 O ATOM 1398 CB ARG A 89 9.113 7.294 0.918 1.00 0.00 C ATOM 1399 CG ARG A 89 7.793 8.093 0.683 1.00 0.00 C ATOM 1400 CD ARG A 89 6.694 7.831 1.737 1.00 0.00 C ATOM 1401 NE ARG A 89 7.021 8.395 3.069 1.00 0.00 N ATOM 1402 CZ ARG A 89 7.355 7.682 4.165 1.00 0.00 C ATOM 1403 NH1 ARG A 89 7.581 6.386 4.090 1.00 0.00 N ATOM 1404 NH2 ARG A 89 7.473 8.284 5.335 1.00 0.00 N ATOM 0 H ARG A 89 8.866 4.806 2.371 1.00 0.00 H new ATOM 0 HA ARG A 89 8.589 5.720 -0.443 1.00 0.00 H new ATOM 0 HB2 ARG A 89 9.374 7.370 1.974 1.00 0.00 H new ATOM 0 HB3 ARG A 89 9.911 7.781 0.357 1.00 0.00 H new ATOM 0 HG2 ARG A 89 8.024 9.158 0.673 1.00 0.00 H new ATOM 0 HG3 ARG A 89 7.401 7.843 -0.303 1.00 0.00 H new ATOM 0 HD2 ARG A 89 5.754 8.259 1.388 1.00 0.00 H new ATOM 0 HD3 ARG A 89 6.538 6.756 1.832 1.00 0.00 H new ATOM 0 HE ARG A 89 6.991 9.410 3.165 1.00 0.00 H new ATOM 0 HH11 ARG A 89 7.505 5.906 3.193 1.00 0.00 H new ATOM 0 HH12 ARG A 89 7.832 5.863 4.929 1.00 0.00 H new ATOM 0 HH21 ARG A 89 7.312 9.288 5.410 1.00 0.00 H new ATOM 0 HH22 ARG A 89 7.725 7.744 6.163 1.00 0.00 H new ATOM 1418 N GLU A 90 10.679 4.219 -0.498 1.00 0.00 N ATOM 1419 CA GLU A 90 11.976 3.566 -0.753 1.00 0.00 C ATOM 1420 C GLU A 90 12.585 4.157 -2.029 1.00 0.00 C ATOM 1421 O GLU A 90 13.626 4.818 -1.998 1.00 0.00 O ATOM 1422 CB GLU A 90 11.785 2.027 -0.887 1.00 0.00 C ATOM 1423 CG GLU A 90 11.110 1.357 0.323 1.00 0.00 C ATOM 1424 CD GLU A 90 11.851 1.607 1.651 1.00 0.00 C ATOM 1425 OE1 GLU A 90 12.918 0.988 1.868 1.00 0.00 O ATOM 1426 OE2 GLU A 90 11.370 2.399 2.494 1.00 0.00 O ATOM 0 H GLU A 90 9.920 3.858 -1.077 1.00 0.00 H new ATOM 0 HA GLU A 90 12.653 3.745 0.082 1.00 0.00 H new ATOM 0 HB2 GLU A 90 11.189 1.824 -1.777 1.00 0.00 H new ATOM 0 HB3 GLU A 90 12.760 1.566 -1.044 1.00 0.00 H new ATOM 0 HG2 GLU A 90 10.088 1.726 0.410 1.00 0.00 H new ATOM 0 HG3 GLU A 90 11.047 0.283 0.147 1.00 0.00 H new ATOM 1433 N LEU A 91 11.894 3.918 -3.145 1.00 0.00 N ATOM 1434 CA LEU A 91 12.235 4.483 -4.454 1.00 0.00 C ATOM 1435 C LEU A 91 11.927 5.992 -4.455 1.00 0.00 C ATOM 1436 O LEU A 91 10.969 6.409 -3.796 1.00 0.00 O ATOM 1437 CB LEU A 91 11.427 3.750 -5.556 1.00 0.00 C ATOM 1438 CG LEU A 91 11.623 2.197 -5.612 1.00 0.00 C ATOM 1439 CD1 LEU A 91 10.631 1.540 -6.595 1.00 0.00 C ATOM 1440 CD2 LEU A 91 13.085 1.824 -5.961 1.00 0.00 C ATOM 0 H LEU A 91 11.070 3.318 -3.166 1.00 0.00 H new ATOM 0 HA LEU A 91 13.297 4.347 -4.656 1.00 0.00 H new ATOM 0 HB2 LEU A 91 10.368 3.960 -5.407 1.00 0.00 H new ATOM 0 HB3 LEU A 91 11.702 4.169 -6.524 1.00 0.00 H new ATOM 0 HG LEU A 91 11.411 1.806 -4.617 1.00 0.00 H new ATOM 0 HD11 LEU A 91 10.794 0.462 -6.610 1.00 0.00 H new ATOM 0 HD12 LEU A 91 9.610 1.748 -6.275 1.00 0.00 H new ATOM 0 HD13 LEU A 91 10.788 1.945 -7.595 1.00 0.00 H new ATOM 0 HD21 LEU A 91 13.186 0.739 -5.992 1.00 0.00 H new ATOM 0 HD22 LEU A 91 13.344 2.240 -6.934 1.00 0.00 H new ATOM 0 HD23 LEU A 91 13.755 2.230 -5.203 1.00 0.00 H new