USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=8 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 75 SER OG : rot 180:sc= 0.013 USER MOD Set 1.2: A 79 GLN : amide:sc= -0.125 K(o=-0.11,f=-1.7!) USER MOD Single : A 23 THR OG1 : rot 38:sc= 0.123 USER MOD Single : A 26 ASN : amide:sc= -0.686 X(o=-0.69,f=-0.74) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0337 USER MOD Single : A 34 LYS NZ :NH3+ -125:sc= 0.227 (180deg=-0.688) USER MOD Single : A 42 ASN : amide:sc= 0.34 X(o=0.34,f=0) USER MOD Single : A 59 THR OG1 : rot 180:sc=-0.00899 USER MOD Single : A 66 THR OG1 : rot -50:sc= 1.3 USER MOD Single : A 67 ASN : amide:sc= -0.702 K(o=-0.7,f=-3.5!) USER MOD Single : A 70 ASN : amide:sc= -0.0854 K(o=-0.085,f=-3.6!) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.0864 USER MOD Single : A 84 ASN :FLIP amide:sc= -0.236 F(o=-0.78,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 366 N THR A 23 -5.236 -5.242 -9.982 1.00 0.00 N ATOM 367 CA THR A 23 -4.759 -5.463 -8.615 1.00 0.00 C ATOM 368 C THR A 23 -4.654 -4.116 -7.883 1.00 0.00 C ATOM 369 O THR A 23 -3.870 -3.244 -8.272 1.00 0.00 O ATOM 370 CB THR A 23 -3.390 -6.227 -8.629 1.00 0.00 C ATOM 371 OG1 THR A 23 -3.542 -7.451 -9.378 1.00 0.00 O ATOM 372 CG2 THR A 23 -2.885 -6.575 -7.220 1.00 0.00 C ATOM 0 HA THR A 23 -5.471 -6.088 -8.076 1.00 0.00 H new ATOM 0 HB THR A 23 -2.657 -5.564 -9.088 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.130 -7.294 -10.146 1.00 0.00 H new ATOM 0 HG21 THR A 23 -1.934 -7.103 -7.294 1.00 0.00 H new ATOM 0 HG22 THR A 23 -2.748 -5.659 -6.646 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.615 -7.211 -6.719 1.00 0.00 H new ATOM 380 N ARG A 24 -5.484 -3.942 -6.829 1.00 0.00 N ATOM 381 CA ARG A 24 -5.588 -2.675 -6.070 1.00 0.00 C ATOM 382 C ARG A 24 -5.402 -2.905 -4.559 1.00 0.00 C ATOM 383 O ARG A 24 -5.600 -4.013 -4.058 1.00 0.00 O ATOM 384 CB ARG A 24 -6.952 -1.982 -6.365 1.00 0.00 C ATOM 385 CG ARG A 24 -7.107 -1.526 -7.834 1.00 0.00 C ATOM 386 CD ARG A 24 -8.448 -0.827 -8.119 1.00 0.00 C ATOM 387 NE ARG A 24 -8.489 -0.298 -9.498 1.00 0.00 N ATOM 388 CZ ARG A 24 -9.391 0.591 -9.967 1.00 0.00 C ATOM 389 NH1 ARG A 24 -10.392 1.019 -9.209 1.00 0.00 N ATOM 390 NH2 ARG A 24 -9.276 1.043 -11.208 1.00 0.00 N ATOM 0 H ARG A 24 -6.100 -4.676 -6.481 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.784 -2.017 -6.398 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.761 -2.670 -6.119 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.060 -1.117 -5.711 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -6.292 -0.847 -8.084 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.012 -2.393 -8.488 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.267 -1.531 -7.972 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -8.596 -0.013 -7.409 1.00 0.00 H new ATOM 0 HE ARG A 24 -7.778 -0.631 -10.149 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.491 0.676 -8.253 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -11.063 1.691 -9.582 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.511 0.719 -11.800 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -9.953 1.715 -11.571 1.00 0.00 H new ATOM 404 N ILE A 25 -5.038 -1.822 -3.840 1.00 0.00 N ATOM 405 CA ILE A 25 -4.647 -1.876 -2.421 1.00 0.00 C ATOM 406 C ILE A 25 -5.107 -0.600 -1.688 1.00 0.00 C ATOM 407 O ILE A 25 -5.187 0.476 -2.288 1.00 0.00 O ATOM 408 CB ILE A 25 -3.077 -2.039 -2.298 1.00 0.00 C ATOM 409 CG1 ILE A 25 -2.596 -2.155 -0.810 1.00 0.00 C ATOM 410 CG2 ILE A 25 -2.350 -0.878 -3.016 1.00 0.00 C ATOM 411 CD1 ILE A 25 -1.113 -2.462 -0.628 1.00 0.00 C ATOM 0 H ILE A 25 -5.008 -0.881 -4.233 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.130 -2.736 -1.957 1.00 0.00 H new ATOM 0 HB ILE A 25 -2.818 -2.978 -2.788 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -2.822 -1.220 -0.298 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.175 -2.936 -0.318 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.272 -1.009 -2.920 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.622 -0.875 -4.071 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.642 0.070 -2.564 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.882 -2.522 0.435 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -0.877 -3.413 -1.105 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.519 -1.670 -1.085 1.00 0.00 H new ATOM 423 N ASN A 26 -5.422 -0.739 -0.390 1.00 0.00 N ATOM 424 CA ASN A 26 -5.725 0.402 0.487 1.00 0.00 C ATOM 425 C ASN A 26 -4.419 0.891 1.114 1.00 0.00 C ATOM 426 O ASN A 26 -3.871 0.247 2.017 1.00 0.00 O ATOM 427 CB ASN A 26 -6.735 0.004 1.584 1.00 0.00 C ATOM 428 CG ASN A 26 -8.094 -0.376 1.011 1.00 0.00 C ATOM 429 OD1 ASN A 26 -8.975 0.466 0.867 1.00 0.00 O ATOM 430 ND2 ASN A 26 -8.259 -1.637 0.665 1.00 0.00 N ATOM 0 H ASN A 26 -5.474 -1.643 0.079 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.179 1.201 -0.100 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.336 -0.835 2.154 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -6.856 0.833 2.281 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -9.144 -1.943 0.261 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -7.502 -2.306 0.801 1.00 0.00 H new ATOM 437 N VAL A 27 -3.912 2.005 0.594 1.00 0.00 N ATOM 438 CA VAL A 27 -2.639 2.595 1.010 1.00 0.00 C ATOM 439 C VAL A 27 -2.893 3.569 2.167 1.00 0.00 C ATOM 440 O VAL A 27 -3.528 4.613 1.977 1.00 0.00 O ATOM 441 CB VAL A 27 -1.971 3.346 -0.199 1.00 0.00 C ATOM 442 CG1 VAL A 27 -0.634 4.000 0.198 1.00 0.00 C ATOM 443 CG2 VAL A 27 -1.787 2.394 -1.403 1.00 0.00 C ATOM 0 H VAL A 27 -4.381 2.534 -0.141 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.962 1.808 1.341 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.646 4.149 -0.496 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.207 4.508 -0.667 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.805 4.723 0.996 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.057 3.233 0.546 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.323 2.936 -2.227 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.149 1.559 -1.113 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.759 2.015 -1.719 1.00 0.00 H new ATOM 453 N VAL A 28 -2.448 3.194 3.370 1.00 0.00 N ATOM 454 CA VAL A 28 -2.614 4.012 4.581 1.00 0.00 C ATOM 455 C VAL A 28 -1.317 4.758 4.878 1.00 0.00 C ATOM 456 O VAL A 28 -0.319 4.137 5.212 1.00 0.00 O ATOM 457 CB VAL A 28 -2.985 3.132 5.829 1.00 0.00 C ATOM 458 CG1 VAL A 28 -3.298 3.995 7.077 1.00 0.00 C ATOM 459 CG2 VAL A 28 -4.149 2.179 5.510 1.00 0.00 C ATOM 0 H VAL A 28 -1.961 2.313 3.535 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.427 4.714 4.396 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.109 2.529 6.067 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.549 3.345 7.915 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.425 4.596 7.332 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.140 4.653 6.863 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.383 1.583 6.392 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.025 2.759 5.221 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.864 1.518 4.691 1.00 0.00 H new ATOM 469 N ASP A 29 -1.325 6.075 4.698 1.00 0.00 N ATOM 470 CA ASP A 29 -0.228 6.945 5.135 1.00 0.00 C ATOM 471 C ASP A 29 -0.034 6.807 6.661 1.00 0.00 C ATOM 472 O ASP A 29 -0.927 7.185 7.422 1.00 0.00 O ATOM 473 CB ASP A 29 -0.530 8.418 4.792 1.00 0.00 C ATOM 474 CG ASP A 29 -0.776 8.648 3.304 1.00 0.00 C ATOM 475 OD1 ASP A 29 0.194 8.861 2.552 1.00 0.00 O ATOM 476 OD2 ASP A 29 -1.937 8.590 2.865 1.00 0.00 O ATOM 0 H ASP A 29 -2.091 6.574 4.245 1.00 0.00 H new ATOM 0 HA ASP A 29 0.681 6.642 4.615 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -1.406 8.743 5.353 1.00 0.00 H new ATOM 0 HB3 ASP A 29 0.305 9.039 5.116 1.00 0.00 H new ATOM 481 N PRO A 30 1.110 6.232 7.145 1.00 0.00 N ATOM 482 CA PRO A 30 1.361 6.090 8.597 1.00 0.00 C ATOM 483 C PRO A 30 1.755 7.440 9.246 1.00 0.00 C ATOM 484 O PRO A 30 1.687 7.589 10.469 1.00 0.00 O ATOM 485 CB PRO A 30 2.495 5.035 8.655 1.00 0.00 C ATOM 486 CG PRO A 30 3.247 5.219 7.372 1.00 0.00 C ATOM 487 CD PRO A 30 2.234 5.672 6.338 1.00 0.00 C ATOM 0 HA PRO A 30 0.482 5.781 9.162 1.00 0.00 H new ATOM 0 HB2 PRO A 30 3.140 5.193 9.519 1.00 0.00 H new ATOM 0 HB3 PRO A 30 2.093 4.025 8.738 1.00 0.00 H new ATOM 0 HG2 PRO A 30 4.038 5.959 7.489 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.724 4.288 7.065 1.00 0.00 H new ATOM 0 HD2 PRO A 30 2.656 6.422 5.669 1.00 0.00 H new ATOM 0 HD3 PRO A 30 1.902 4.841 5.716 1.00 0.00 H new ATOM 495 N GLU A 31 2.151 8.408 8.405 1.00 0.00 N ATOM 496 CA GLU A 31 2.525 9.767 8.822 1.00 0.00 C ATOM 497 C GLU A 31 1.318 10.737 8.720 1.00 0.00 C ATOM 498 O GLU A 31 1.069 11.522 9.643 1.00 0.00 O ATOM 499 CB GLU A 31 3.730 10.268 7.966 1.00 0.00 C ATOM 500 CG GLU A 31 3.546 10.152 6.435 1.00 0.00 C ATOM 501 CD GLU A 31 4.765 10.632 5.624 1.00 0.00 C ATOM 502 OE1 GLU A 31 4.866 11.839 5.342 1.00 0.00 O ATOM 503 OE2 GLU A 31 5.625 9.805 5.248 1.00 0.00 O ATOM 0 H GLU A 31 2.221 8.265 7.398 1.00 0.00 H new ATOM 0 HA GLU A 31 2.828 9.742 9.869 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.922 11.312 8.214 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.618 9.704 8.253 1.00 0.00 H new ATOM 0 HG2 GLU A 31 3.339 9.112 6.181 1.00 0.00 H new ATOM 0 HG3 GLU A 31 2.673 10.733 6.138 1.00 0.00 H new ATOM 510 N THR A 32 0.576 10.666 7.593 1.00 0.00 N ATOM 511 CA THR A 32 -0.545 11.592 7.294 1.00 0.00 C ATOM 512 C THR A 32 -1.900 11.058 7.831 1.00 0.00 C ATOM 513 O THR A 32 -2.862 11.827 7.972 1.00 0.00 O ATOM 514 CB THR A 32 -0.648 11.847 5.743 1.00 0.00 C ATOM 515 OG1 THR A 32 0.664 11.883 5.161 1.00 0.00 O ATOM 516 CG2 THR A 32 -1.371 13.167 5.413 1.00 0.00 C ATOM 0 H THR A 32 0.734 9.969 6.866 1.00 0.00 H new ATOM 0 HA THR A 32 -0.332 12.532 7.804 1.00 0.00 H new ATOM 0 HB THR A 32 -1.230 11.025 5.326 1.00 0.00 H new ATOM 0 HG1 THR A 32 0.590 12.040 4.197 1.00 0.00 H new ATOM 0 HG21 THR A 32 -1.416 13.297 4.332 1.00 0.00 H new ATOM 0 HG22 THR A 32 -2.383 13.139 5.818 1.00 0.00 H new ATOM 0 HG23 THR A 32 -0.826 14.001 5.856 1.00 0.00 H new ATOM 524 N GLY A 33 -1.973 9.735 8.088 1.00 0.00 N ATOM 525 CA GLY A 33 -3.175 9.079 8.635 1.00 0.00 C ATOM 526 C GLY A 33 -4.217 8.700 7.582 1.00 0.00 C ATOM 527 O GLY A 33 -5.170 7.973 7.886 1.00 0.00 O ATOM 0 H GLY A 33 -1.198 9.093 7.921 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.872 8.179 9.170 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.638 9.744 9.365 1.00 0.00 H new ATOM 531 N LYS A 34 -4.039 9.208 6.354 1.00 0.00 N ATOM 532 CA LYS A 34 -5.009 9.057 5.256 1.00 0.00 C ATOM 533 C LYS A 34 -4.982 7.641 4.648 1.00 0.00 C ATOM 534 O LYS A 34 -3.951 6.981 4.659 1.00 0.00 O ATOM 535 CB LYS A 34 -4.721 10.108 4.160 1.00 0.00 C ATOM 536 CG LYS A 34 -4.698 11.568 4.657 1.00 0.00 C ATOM 537 CD LYS A 34 -6.060 12.033 5.229 1.00 0.00 C ATOM 538 CE LYS A 34 -5.986 13.449 5.822 1.00 0.00 C ATOM 539 NZ LYS A 34 -5.050 13.525 6.973 1.00 0.00 N ATOM 0 H LYS A 34 -3.210 9.741 6.091 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.005 9.214 5.670 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.759 9.880 3.701 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.477 10.016 3.380 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.932 11.672 5.426 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.414 12.222 3.833 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.811 12.010 4.439 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.386 11.335 6.000 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.667 14.149 5.049 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.980 13.760 6.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.548 13.912 7.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.696 12.573 7.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.250 14.144 6.730 1.00 0.00 H new ATOM 553 N VAL A 35 -6.137 7.195 4.124 1.00 0.00 N ATOM 554 CA VAL A 35 -6.272 5.907 3.401 1.00 0.00 C ATOM 555 C VAL A 35 -6.902 6.176 2.024 1.00 0.00 C ATOM 556 O VAL A 35 -7.898 6.899 1.938 1.00 0.00 O ATOM 557 CB VAL A 35 -7.171 4.859 4.175 1.00 0.00 C ATOM 558 CG1 VAL A 35 -7.127 3.459 3.513 1.00 0.00 C ATOM 559 CG2 VAL A 35 -6.805 4.779 5.672 1.00 0.00 C ATOM 0 H VAL A 35 -7.011 7.717 4.188 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.274 5.478 3.310 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.197 5.220 4.109 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.757 2.770 4.076 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.491 3.530 2.488 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.101 3.091 3.509 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.446 4.048 6.165 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.763 4.476 5.776 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.947 5.756 6.134 1.00 0.00 H new ATOM 569 N GLU A 36 -6.334 5.584 0.961 1.00 0.00 N ATOM 570 CA GLU A 36 -6.819 5.749 -0.420 1.00 0.00 C ATOM 571 C GLU A 36 -6.568 4.461 -1.208 1.00 0.00 C ATOM 572 O GLU A 36 -5.525 3.825 -1.043 1.00 0.00 O ATOM 573 CB GLU A 36 -6.102 6.957 -1.085 1.00 0.00 C ATOM 574 CG GLU A 36 -6.486 7.251 -2.550 1.00 0.00 C ATOM 575 CD GLU A 36 -7.978 7.545 -2.752 1.00 0.00 C ATOM 576 OE1 GLU A 36 -8.448 8.620 -2.319 1.00 0.00 O ATOM 577 OE2 GLU A 36 -8.694 6.707 -3.340 1.00 0.00 O ATOM 0 H GLU A 36 -5.520 4.974 1.035 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.891 5.947 -0.414 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.308 7.848 -0.491 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -5.027 6.785 -1.040 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.906 8.103 -2.904 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.207 6.397 -3.167 1.00 0.00 H new ATOM 584 N ILE A 37 -7.528 4.094 -2.070 1.00 0.00 N ATOM 585 CA ILE A 37 -7.422 2.909 -2.922 1.00 0.00 C ATOM 586 C ILE A 37 -6.576 3.278 -4.162 1.00 0.00 C ATOM 587 O ILE A 37 -6.915 4.206 -4.908 1.00 0.00 O ATOM 588 CB ILE A 37 -8.837 2.336 -3.328 1.00 0.00 C ATOM 589 CG1 ILE A 37 -9.659 1.975 -2.033 1.00 0.00 C ATOM 590 CG2 ILE A 37 -8.697 1.101 -4.263 1.00 0.00 C ATOM 591 CD1 ILE A 37 -11.017 1.338 -2.271 1.00 0.00 C ATOM 0 H ILE A 37 -8.398 4.613 -2.193 1.00 0.00 H new ATOM 0 HA ILE A 37 -6.932 2.110 -2.366 1.00 0.00 H new ATOM 0 HB ILE A 37 -9.376 3.103 -3.883 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -9.062 1.297 -1.423 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -9.802 2.885 -1.450 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -9.687 0.729 -4.525 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -8.166 1.390 -5.170 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -8.139 0.318 -3.750 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -11.495 1.132 -1.313 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -11.642 2.019 -2.849 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -10.890 0.406 -2.822 1.00 0.00 H new ATOM 603 N ALA A 38 -5.487 2.529 -4.363 1.00 0.00 N ATOM 604 CA ALA A 38 -4.481 2.778 -5.397 1.00 0.00 C ATOM 605 C ALA A 38 -4.287 1.520 -6.231 1.00 0.00 C ATOM 606 O ALA A 38 -4.632 0.417 -5.792 1.00 0.00 O ATOM 607 CB ALA A 38 -3.160 3.221 -4.764 1.00 0.00 C ATOM 0 H ALA A 38 -5.276 1.709 -3.794 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.826 3.582 -6.047 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -2.424 3.402 -5.547 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.318 4.138 -4.196 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -2.796 2.439 -4.097 1.00 0.00 H new ATOM 613 N GLU A 39 -3.709 1.682 -7.426 1.00 0.00 N ATOM 614 CA GLU A 39 -3.543 0.572 -8.383 1.00 0.00 C ATOM 615 C GLU A 39 -2.073 0.149 -8.420 1.00 0.00 C ATOM 616 O GLU A 39 -1.186 0.985 -8.655 1.00 0.00 O ATOM 617 CB GLU A 39 -4.048 0.991 -9.779 1.00 0.00 C ATOM 618 CG GLU A 39 -5.528 1.429 -9.795 1.00 0.00 C ATOM 619 CD GLU A 39 -6.052 1.751 -11.198 1.00 0.00 C ATOM 620 OE1 GLU A 39 -6.434 0.810 -11.929 1.00 0.00 O ATOM 621 OE2 GLU A 39 -6.073 2.937 -11.588 1.00 0.00 O ATOM 0 H GLU A 39 -3.345 2.575 -7.759 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.138 -0.283 -8.062 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.431 1.810 -10.148 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.917 0.157 -10.469 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.138 0.637 -9.360 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.646 2.307 -9.161 1.00 0.00 H new ATOM 628 N ILE A 40 -1.827 -1.141 -8.153 1.00 0.00 N ATOM 629 CA ILE A 40 -0.477 -1.703 -8.066 1.00 0.00 C ATOM 630 C ILE A 40 0.108 -1.890 -9.482 1.00 0.00 C ATOM 631 O ILE A 40 -0.387 -2.702 -10.274 1.00 0.00 O ATOM 632 CB ILE A 40 -0.501 -3.060 -7.266 1.00 0.00 C ATOM 633 CG1 ILE A 40 -1.091 -2.813 -5.831 1.00 0.00 C ATOM 634 CG2 ILE A 40 0.905 -3.715 -7.191 1.00 0.00 C ATOM 635 CD1 ILE A 40 -1.180 -4.029 -4.933 1.00 0.00 C ATOM 0 H ILE A 40 -2.565 -1.826 -7.991 1.00 0.00 H new ATOM 0 HA ILE A 40 0.168 -1.011 -7.524 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.142 -3.762 -7.800 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.479 -2.061 -5.332 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.090 -2.391 -5.938 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.842 -4.648 -6.631 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.265 -3.921 -8.199 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.596 -3.037 -6.690 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.601 -3.740 -3.970 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.820 -4.779 -5.398 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.183 -4.444 -4.783 1.00 0.00 H new ATOM 647 N ARG A 41 1.154 -1.107 -9.779 1.00 0.00 N ATOM 648 CA ARG A 41 1.843 -1.089 -11.080 1.00 0.00 C ATOM 649 C ARG A 41 2.772 -2.303 -11.206 1.00 0.00 C ATOM 650 O ARG A 41 2.690 -3.082 -12.158 1.00 0.00 O ATOM 651 CB ARG A 41 2.654 0.227 -11.198 1.00 0.00 C ATOM 652 CG ARG A 41 1.801 1.504 -11.075 1.00 0.00 C ATOM 653 CD ARG A 41 2.647 2.782 -11.129 1.00 0.00 C ATOM 654 NE ARG A 41 1.810 3.990 -11.138 1.00 0.00 N ATOM 655 CZ ARG A 41 2.266 5.247 -11.033 1.00 0.00 C ATOM 656 NH1 ARG A 41 3.553 5.491 -10.807 1.00 0.00 N ATOM 657 NH2 ARG A 41 1.413 6.253 -11.134 1.00 0.00 N ATOM 0 H ARG A 41 1.555 -0.453 -9.107 1.00 0.00 H new ATOM 0 HA ARG A 41 1.110 -1.139 -11.885 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.421 0.239 -10.424 1.00 0.00 H new ATOM 0 HB3 ARG A 41 3.170 0.239 -12.158 1.00 0.00 H new ATOM 0 HG2 ARG A 41 1.065 1.525 -11.879 1.00 0.00 H new ATOM 0 HG3 ARG A 41 1.247 1.478 -10.137 1.00 0.00 H new ATOM 0 HD2 ARG A 41 3.318 2.811 -10.270 1.00 0.00 H new ATOM 0 HD3 ARG A 41 3.273 2.766 -12.021 1.00 0.00 H new ATOM 0 HE ARG A 41 0.802 3.862 -11.232 1.00 0.00 H new ATOM 0 HH11 ARG A 41 4.210 4.716 -10.711 1.00 0.00 H new ATOM 0 HH12 ARG A 41 3.884 6.453 -10.730 1.00 0.00 H new ATOM 0 HH21 ARG A 41 0.422 6.068 -11.290 1.00 0.00 H new ATOM 0 HH22 ARG A 41 1.746 7.214 -11.056 1.00 0.00 H new ATOM 671 N ASN A 42 3.637 -2.461 -10.210 1.00 0.00 N ATOM 672 CA ASN A 42 4.605 -3.575 -10.120 1.00 0.00 C ATOM 673 C ASN A 42 4.683 -4.040 -8.667 1.00 0.00 C ATOM 674 O ASN A 42 4.165 -3.374 -7.774 1.00 0.00 O ATOM 675 CB ASN A 42 6.016 -3.130 -10.614 1.00 0.00 C ATOM 676 CG ASN A 42 6.081 -2.856 -12.121 1.00 0.00 C ATOM 677 OD1 ASN A 42 6.389 -3.747 -12.917 1.00 0.00 O ATOM 678 ND2 ASN A 42 5.782 -1.632 -12.532 1.00 0.00 N ATOM 0 H ASN A 42 3.695 -1.814 -9.424 1.00 0.00 H new ATOM 0 HA ASN A 42 4.270 -4.392 -10.759 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.312 -2.229 -10.076 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.741 -3.904 -10.362 1.00 0.00 H new ATOM 0 HD21 ASN A 42 5.803 -1.409 -13.527 1.00 0.00 H new ATOM 0 HD22 ASN A 42 5.531 -0.913 -11.853 1.00 0.00 H new ATOM 685 N VAL A 43 5.293 -5.210 -8.436 1.00 0.00 N ATOM 686 CA VAL A 43 5.673 -5.666 -7.086 1.00 0.00 C ATOM 687 C VAL A 43 7.203 -5.678 -7.030 1.00 0.00 C ATOM 688 O VAL A 43 7.851 -6.666 -7.400 1.00 0.00 O ATOM 689 CB VAL A 43 5.065 -7.086 -6.738 1.00 0.00 C ATOM 690 CG1 VAL A 43 5.383 -7.519 -5.285 1.00 0.00 C ATOM 691 CG2 VAL A 43 3.543 -7.088 -6.994 1.00 0.00 C ATOM 0 H VAL A 43 5.538 -5.868 -9.176 1.00 0.00 H new ATOM 0 HA VAL A 43 5.266 -4.988 -6.336 1.00 0.00 H new ATOM 0 HB VAL A 43 5.536 -7.818 -7.394 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.945 -8.499 -5.093 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.463 -7.571 -5.149 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.964 -6.792 -4.589 1.00 0.00 H new ATOM 0 HG21 VAL A 43 3.135 -8.069 -6.752 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.068 -6.332 -6.368 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.350 -6.864 -8.043 1.00 0.00 H new ATOM 914 N ILE A 57 2.413 -11.768 -7.788 1.00 0.00 N ATOM 915 CA ILE A 57 2.330 -12.695 -6.632 1.00 0.00 C ATOM 916 C ILE A 57 2.804 -11.990 -5.340 1.00 0.00 C ATOM 917 O ILE A 57 3.969 -12.072 -4.924 1.00 0.00 O ATOM 918 CB ILE A 57 3.065 -14.076 -6.882 1.00 0.00 C ATOM 919 CG1 ILE A 57 2.444 -14.808 -8.121 1.00 0.00 C ATOM 920 CG2 ILE A 57 3.026 -14.996 -5.629 1.00 0.00 C ATOM 921 CD1 ILE A 57 0.949 -15.123 -8.007 1.00 0.00 C ATOM 0 HA ILE A 57 1.281 -12.960 -6.504 1.00 0.00 H new ATOM 0 HB ILE A 57 4.112 -13.855 -7.087 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.603 -14.191 -9.005 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.985 -15.741 -8.281 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.542 -15.931 -5.848 1.00 0.00 H new ATOM 0 HG22 ILE A 57 3.519 -14.496 -4.795 1.00 0.00 H new ATOM 0 HG23 ILE A 57 1.990 -15.207 -5.365 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.614 -15.629 -8.912 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.778 -15.769 -7.146 1.00 0.00 H new ATOM 0 HD13 ILE A 57 0.390 -14.196 -7.881 1.00 0.00 H new ATOM 933 N ILE A 58 1.876 -11.240 -4.765 1.00 0.00 N ATOM 934 CA ILE A 58 2.106 -10.433 -3.560 1.00 0.00 C ATOM 935 C ILE A 58 1.957 -11.318 -2.310 1.00 0.00 C ATOM 936 O ILE A 58 1.127 -12.225 -2.286 1.00 0.00 O ATOM 937 CB ILE A 58 1.073 -9.242 -3.512 1.00 0.00 C ATOM 938 CG1 ILE A 58 1.065 -8.494 -4.881 1.00 0.00 C ATOM 939 CG2 ILE A 58 1.386 -8.265 -2.349 1.00 0.00 C ATOM 940 CD1 ILE A 58 0.043 -7.388 -5.006 1.00 0.00 C ATOM 0 H ILE A 58 0.924 -11.169 -5.123 1.00 0.00 H new ATOM 0 HA ILE A 58 3.115 -10.022 -3.585 1.00 0.00 H new ATOM 0 HB ILE A 58 0.081 -9.655 -3.328 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.055 -8.072 -5.052 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.888 -9.222 -5.673 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.655 -7.457 -2.346 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.339 -8.801 -1.401 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.385 -7.850 -2.482 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.119 -6.932 -5.993 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.957 -7.800 -4.873 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.229 -6.633 -4.242 1.00 0.00 H new ATOM 952 N THR A 59 2.774 -11.044 -1.291 1.00 0.00 N ATOM 953 CA THR A 59 2.682 -11.680 0.033 1.00 0.00 C ATOM 954 C THR A 59 2.507 -10.588 1.104 1.00 0.00 C ATOM 955 O THR A 59 2.650 -9.393 0.803 1.00 0.00 O ATOM 956 CB THR A 59 3.960 -12.540 0.317 1.00 0.00 C ATOM 957 OG1 THR A 59 5.132 -11.774 -0.009 1.00 0.00 O ATOM 958 CG2 THR A 59 3.969 -13.853 -0.489 1.00 0.00 C ATOM 0 H THR A 59 3.531 -10.364 -1.359 1.00 0.00 H new ATOM 0 HA THR A 59 1.821 -12.347 0.059 1.00 0.00 H new ATOM 0 HB THR A 59 3.954 -12.801 1.375 1.00 0.00 H new ATOM 0 HG1 THR A 59 5.933 -12.310 0.170 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.874 -14.415 -0.259 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.095 -14.448 -0.224 1.00 0.00 H new ATOM 0 HG23 THR A 59 3.944 -13.626 -1.555 1.00 0.00 H new ATOM 966 N ARG A 60 2.157 -10.988 2.341 1.00 0.00 N ATOM 967 CA ARG A 60 2.057 -10.043 3.464 1.00 0.00 C ATOM 968 C ARG A 60 3.476 -9.645 3.917 1.00 0.00 C ATOM 969 O ARG A 60 4.336 -10.512 4.116 1.00 0.00 O ATOM 970 CB ARG A 60 1.251 -10.638 4.647 1.00 0.00 C ATOM 971 CG ARG A 60 1.076 -9.679 5.847 1.00 0.00 C ATOM 972 CD ARG A 60 0.335 -10.330 7.024 1.00 0.00 C ATOM 973 NE ARG A 60 0.297 -9.444 8.204 1.00 0.00 N ATOM 974 CZ ARG A 60 0.766 -9.751 9.428 1.00 0.00 C ATOM 975 NH1 ARG A 60 1.346 -10.926 9.661 1.00 0.00 N ATOM 976 NH2 ARG A 60 0.670 -8.864 10.408 1.00 0.00 N ATOM 0 H ARG A 60 1.940 -11.954 2.585 1.00 0.00 H new ATOM 0 HA ARG A 60 1.517 -9.158 3.126 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.266 -10.934 4.287 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.750 -11.544 4.991 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.056 -9.341 6.183 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.528 -8.794 5.523 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -0.683 -10.577 6.721 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.825 -11.267 7.288 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.120 -8.521 8.082 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.440 -11.607 8.907 1.00 0.00 H new ATOM 0 HH12 ARG A 60 1.697 -11.146 10.593 1.00 0.00 H new ATOM 0 HH21 ARG A 60 0.243 -7.955 10.233 1.00 0.00 H new ATOM 0 HH22 ARG A 60 1.023 -9.091 11.338 1.00 0.00 H new ATOM 990 N GLY A 61 3.686 -8.335 4.066 1.00 0.00 N ATOM 991 CA GLY A 61 4.994 -7.762 4.394 1.00 0.00 C ATOM 992 C GLY A 61 5.853 -7.515 3.168 1.00 0.00 C ATOM 993 O GLY A 61 7.030 -7.201 3.301 1.00 0.00 O ATOM 0 H GLY A 61 2.949 -7.638 3.962 1.00 0.00 H new ATOM 0 HA2 GLY A 61 4.850 -6.822 4.926 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.521 -8.435 5.071 1.00 0.00 H new ATOM 997 N ALA A 62 5.257 -7.657 1.971 1.00 0.00 N ATOM 998 CA ALA A 62 5.941 -7.386 0.692 1.00 0.00 C ATOM 999 C ALA A 62 5.886 -5.888 0.388 1.00 0.00 C ATOM 1000 O ALA A 62 5.054 -5.172 0.960 1.00 0.00 O ATOM 1001 CB ALA A 62 5.285 -8.188 -0.442 1.00 0.00 C ATOM 0 H ALA A 62 4.290 -7.962 1.862 1.00 0.00 H new ATOM 0 HA ALA A 62 6.984 -7.694 0.771 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.799 -7.979 -1.380 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.353 -9.253 -0.221 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.237 -7.902 -0.531 1.00 0.00 H new ATOM 1007 N VAL A 63 6.763 -5.401 -0.498 1.00 0.00 N ATOM 1008 CA VAL A 63 6.689 -4.016 -0.984 1.00 0.00 C ATOM 1009 C VAL A 63 6.159 -4.026 -2.418 1.00 0.00 C ATOM 1010 O VAL A 63 6.753 -4.649 -3.315 1.00 0.00 O ATOM 1011 CB VAL A 63 8.067 -3.263 -0.920 1.00 0.00 C ATOM 1012 CG1 VAL A 63 7.928 -1.786 -1.371 1.00 0.00 C ATOM 1013 CG2 VAL A 63 8.698 -3.343 0.488 1.00 0.00 C ATOM 0 H VAL A 63 7.531 -5.944 -0.893 1.00 0.00 H new ATOM 0 HA VAL A 63 6.014 -3.470 -0.325 1.00 0.00 H new ATOM 0 HB VAL A 63 8.737 -3.769 -1.616 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.900 -1.295 -1.314 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.564 -1.752 -2.398 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.223 -1.271 -0.718 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.649 -2.811 0.491 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.025 -2.888 1.215 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.866 -4.387 0.753 1.00 0.00 H new ATOM 1023 N VAL A 64 5.040 -3.343 -2.615 1.00 0.00 N ATOM 1024 CA VAL A 64 4.432 -3.151 -3.927 1.00 0.00 C ATOM 1025 C VAL A 64 4.658 -1.706 -4.381 1.00 0.00 C ATOM 1026 O VAL A 64 4.948 -0.823 -3.573 1.00 0.00 O ATOM 1027 CB VAL A 64 2.895 -3.485 -3.913 1.00 0.00 C ATOM 1028 CG1 VAL A 64 2.652 -4.975 -3.601 1.00 0.00 C ATOM 1029 CG2 VAL A 64 2.112 -2.582 -2.927 1.00 0.00 C ATOM 0 H VAL A 64 4.520 -2.900 -1.858 1.00 0.00 H new ATOM 0 HA VAL A 64 4.905 -3.838 -4.628 1.00 0.00 H new ATOM 0 HB VAL A 64 2.516 -3.278 -4.914 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.581 -5.176 -3.598 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.134 -5.589 -4.361 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.069 -5.215 -2.623 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.055 -2.848 -2.951 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.499 -2.724 -1.918 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.230 -1.538 -3.218 1.00 0.00 H new ATOM 1039 N GLU A 65 4.549 -1.492 -5.680 1.00 0.00 N ATOM 1040 CA GLU A 65 4.594 -0.170 -6.302 1.00 0.00 C ATOM 1041 C GLU A 65 3.174 0.191 -6.749 1.00 0.00 C ATOM 1042 O GLU A 65 2.509 -0.618 -7.390 1.00 0.00 O ATOM 1043 CB GLU A 65 5.561 -0.197 -7.502 1.00 0.00 C ATOM 1044 CG GLU A 65 5.656 1.130 -8.269 1.00 0.00 C ATOM 1045 CD GLU A 65 6.597 1.049 -9.471 1.00 0.00 C ATOM 1046 OE1 GLU A 65 6.160 0.576 -10.544 1.00 0.00 O ATOM 1047 OE2 GLU A 65 7.773 1.454 -9.348 1.00 0.00 O ATOM 0 H GLU A 65 4.423 -2.248 -6.353 1.00 0.00 H new ATOM 0 HA GLU A 65 4.955 0.580 -5.598 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.555 -0.469 -7.146 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.244 -0.979 -8.191 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.662 1.420 -8.609 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.003 1.912 -7.593 1.00 0.00 H new ATOM 1054 N THR A 66 2.704 1.391 -6.389 1.00 0.00 N ATOM 1055 CA THR A 66 1.333 1.838 -6.674 1.00 0.00 C ATOM 1056 C THR A 66 1.364 3.224 -7.332 1.00 0.00 C ATOM 1057 O THR A 66 2.441 3.761 -7.629 1.00 0.00 O ATOM 1058 CB THR A 66 0.459 1.887 -5.365 1.00 0.00 C ATOM 1059 OG1 THR A 66 0.917 2.944 -4.500 1.00 0.00 O ATOM 1060 CG2 THR A 66 0.494 0.559 -4.590 1.00 0.00 C ATOM 0 H THR A 66 3.264 2.082 -5.890 1.00 0.00 H new ATOM 0 HA THR A 66 0.879 1.118 -7.355 1.00 0.00 H new ATOM 0 HB THR A 66 -0.569 2.072 -5.678 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.887 2.871 -4.380 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.124 0.643 -3.696 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.110 -0.241 -5.222 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.521 0.333 -4.302 1.00 0.00 H new ATOM 1068 N ASN A 67 0.168 3.799 -7.556 1.00 0.00 N ATOM 1069 CA ASN A 67 0.018 5.168 -8.080 1.00 0.00 C ATOM 1070 C ASN A 67 0.441 6.214 -7.026 1.00 0.00 C ATOM 1071 O ASN A 67 0.729 7.363 -7.369 1.00 0.00 O ATOM 1072 CB ASN A 67 -1.446 5.421 -8.531 1.00 0.00 C ATOM 1073 CG ASN A 67 -1.931 4.459 -9.621 1.00 0.00 C ATOM 1074 OD1 ASN A 67 -1.147 3.920 -10.399 1.00 0.00 O ATOM 1075 ND2 ASN A 67 -3.234 4.256 -9.703 1.00 0.00 N ATOM 0 H ASN A 67 -0.719 3.328 -7.379 1.00 0.00 H new ATOM 0 HA ASN A 67 0.674 5.271 -8.945 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -2.103 5.336 -7.665 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -1.532 6.444 -8.897 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -3.610 3.640 -10.424 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -3.864 4.715 -9.045 1.00 0.00 H new ATOM 1082 N LEU A 68 0.476 5.793 -5.744 1.00 0.00 N ATOM 1083 CA LEU A 68 0.817 6.663 -4.600 1.00 0.00 C ATOM 1084 C LEU A 68 2.284 6.479 -4.159 1.00 0.00 C ATOM 1085 O LEU A 68 2.807 7.303 -3.399 1.00 0.00 O ATOM 1086 CB LEU A 68 -0.157 6.368 -3.431 1.00 0.00 C ATOM 1087 CG LEU A 68 -1.671 6.634 -3.735 1.00 0.00 C ATOM 1088 CD1 LEU A 68 -2.569 6.230 -2.547 1.00 0.00 C ATOM 1089 CD2 LEU A 68 -1.917 8.114 -4.138 1.00 0.00 C ATOM 0 H LEU A 68 0.267 4.832 -5.472 1.00 0.00 H new ATOM 0 HA LEU A 68 0.711 7.703 -4.907 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -0.041 5.325 -3.138 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.136 6.975 -2.574 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.943 6.006 -4.584 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.612 6.429 -2.795 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.442 5.168 -2.340 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.289 6.808 -1.666 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.977 8.264 -4.342 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.608 8.769 -3.324 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.339 8.349 -5.032 1.00 0.00 H new ATOM 1101 N GLY A 69 2.935 5.402 -4.647 1.00 0.00 N ATOM 1102 CA GLY A 69 4.335 5.094 -4.312 1.00 0.00 C ATOM 1103 C GLY A 69 4.521 3.652 -3.843 1.00 0.00 C ATOM 1104 O GLY A 69 3.653 2.805 -4.061 1.00 0.00 O ATOM 0 H GLY A 69 2.505 4.727 -5.280 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.962 5.272 -5.186 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.676 5.774 -3.531 1.00 0.00 H new ATOM 1108 N ASN A 70 5.671 3.366 -3.211 1.00 0.00 N ATOM 1109 CA ASN A 70 5.978 2.030 -2.656 1.00 0.00 C ATOM 1110 C ASN A 70 5.284 1.842 -1.297 1.00 0.00 C ATOM 1111 O ASN A 70 5.342 2.723 -0.441 1.00 0.00 O ATOM 1112 CB ASN A 70 7.502 1.824 -2.539 1.00 0.00 C ATOM 1113 CG ASN A 70 8.211 1.856 -3.902 1.00 0.00 C ATOM 1114 OD1 ASN A 70 8.620 2.918 -4.363 1.00 0.00 O ATOM 1115 ND2 ASN A 70 8.361 0.704 -4.544 1.00 0.00 N ATOM 0 H ASN A 70 6.415 4.050 -3.069 1.00 0.00 H new ATOM 0 HA ASN A 70 5.593 1.273 -3.339 1.00 0.00 H new ATOM 0 HB2 ASN A 70 7.921 2.599 -1.898 1.00 0.00 H new ATOM 0 HB3 ASN A 70 7.699 0.868 -2.054 1.00 0.00 H new ATOM 0 HD21 ASN A 70 8.829 0.682 -5.450 1.00 0.00 H new ATOM 0 HD22 ASN A 70 8.009 -0.160 -4.131 1.00 0.00 H new ATOM 1122 N VAL A 71 4.584 0.706 -1.140 1.00 0.00 N ATOM 1123 CA VAL A 71 3.733 0.404 0.027 1.00 0.00 C ATOM 1124 C VAL A 71 4.142 -0.946 0.667 1.00 0.00 C ATOM 1125 O VAL A 71 4.412 -1.906 -0.053 1.00 0.00 O ATOM 1126 CB VAL A 71 2.222 0.334 -0.445 1.00 0.00 C ATOM 1127 CG1 VAL A 71 1.242 0.051 0.710 1.00 0.00 C ATOM 1128 CG2 VAL A 71 1.816 1.612 -1.205 1.00 0.00 C ATOM 0 H VAL A 71 4.593 -0.043 -1.832 1.00 0.00 H new ATOM 0 HA VAL A 71 3.858 1.189 0.773 1.00 0.00 H new ATOM 0 HB VAL A 71 2.155 -0.514 -1.127 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.224 0.015 0.323 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.489 -0.906 1.171 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.319 0.843 1.455 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.774 1.535 -1.516 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.937 2.477 -0.553 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.450 1.729 -2.084 1.00 0.00 H new ATOM 1138 N ARG A 72 4.167 -1.006 2.015 1.00 0.00 N ATOM 1139 CA ARG A 72 4.313 -2.273 2.766 1.00 0.00 C ATOM 1140 C ARG A 72 2.927 -2.887 2.953 1.00 0.00 C ATOM 1141 O ARG A 72 2.064 -2.267 3.567 1.00 0.00 O ATOM 1142 CB ARG A 72 4.979 -2.070 4.172 1.00 0.00 C ATOM 1143 CG ARG A 72 6.515 -2.183 4.193 1.00 0.00 C ATOM 1144 CD ARG A 72 7.030 -3.599 3.877 1.00 0.00 C ATOM 1145 NE ARG A 72 8.509 -3.617 3.790 1.00 0.00 N ATOM 1146 CZ ARG A 72 9.314 -4.618 4.176 1.00 0.00 C ATOM 1147 NH1 ARG A 72 8.833 -5.720 4.725 1.00 0.00 N ATOM 1148 NH2 ARG A 72 10.619 -4.497 4.018 1.00 0.00 N ATOM 0 H ARG A 72 4.087 -0.183 2.612 1.00 0.00 H new ATOM 0 HA ARG A 72 4.967 -2.929 2.191 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.698 -1.087 4.551 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.567 -2.807 4.861 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.933 -1.483 3.470 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.880 -1.883 5.175 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.699 -4.292 4.651 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.602 -3.944 2.936 1.00 0.00 H new ATOM 0 HE ARG A 72 8.958 -2.789 3.399 1.00 0.00 H new ATOM 0 HH11 ARG A 72 7.828 -5.824 4.864 1.00 0.00 H new ATOM 0 HH12 ARG A 72 9.467 -6.467 5.010 1.00 0.00 H new ATOM 0 HH21 ARG A 72 11.006 -3.648 3.606 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.240 -5.252 4.308 1.00 0.00 H new ATOM 1162 N VAL A 73 2.737 -4.106 2.453 1.00 0.00 N ATOM 1163 CA VAL A 73 1.468 -4.826 2.561 1.00 0.00 C ATOM 1164 C VAL A 73 1.293 -5.300 4.021 1.00 0.00 C ATOM 1165 O VAL A 73 2.110 -6.060 4.535 1.00 0.00 O ATOM 1166 CB VAL A 73 1.441 -6.032 1.554 1.00 0.00 C ATOM 1167 CG1 VAL A 73 0.096 -6.786 1.584 1.00 0.00 C ATOM 1168 CG2 VAL A 73 1.760 -5.546 0.121 1.00 0.00 C ATOM 0 H VAL A 73 3.462 -4.626 1.959 1.00 0.00 H new ATOM 0 HA VAL A 73 0.637 -4.170 2.301 1.00 0.00 H new ATOM 0 HB VAL A 73 2.211 -6.736 1.870 1.00 0.00 H new ATOM 0 HG11 VAL A 73 0.125 -7.611 0.872 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.079 -7.178 2.586 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.710 -6.103 1.316 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.737 -6.393 -0.564 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.017 -4.810 -0.187 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.751 -5.091 0.103 1.00 0.00 H new ATOM 1178 N THR A 74 0.257 -4.795 4.694 1.00 0.00 N ATOM 1179 CA THR A 74 0.035 -5.021 6.137 1.00 0.00 C ATOM 1180 C THR A 74 -0.953 -6.171 6.374 1.00 0.00 C ATOM 1181 O THR A 74 -0.947 -6.802 7.441 1.00 0.00 O ATOM 1182 CB THR A 74 -0.499 -3.721 6.809 1.00 0.00 C ATOM 1183 OG1 THR A 74 -1.680 -3.266 6.121 1.00 0.00 O ATOM 1184 CG2 THR A 74 0.556 -2.604 6.810 1.00 0.00 C ATOM 0 H THR A 74 -0.459 -4.214 4.258 1.00 0.00 H new ATOM 0 HA THR A 74 0.991 -5.293 6.584 1.00 0.00 H new ATOM 0 HB THR A 74 -0.738 -3.959 7.846 1.00 0.00 H new ATOM 0 HG1 THR A 74 -2.013 -2.449 6.548 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.144 -1.715 7.287 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.437 -2.936 7.360 1.00 0.00 H new ATOM 0 HG23 THR A 74 0.837 -2.368 5.784 1.00 0.00 H new ATOM 1192 N SER A 75 -1.807 -6.421 5.373 1.00 0.00 N ATOM 1193 CA SER A 75 -2.818 -7.492 5.414 1.00 0.00 C ATOM 1194 C SER A 75 -2.415 -8.630 4.452 1.00 0.00 C ATOM 1195 O SER A 75 -1.378 -8.548 3.790 1.00 0.00 O ATOM 1196 CB SER A 75 -4.194 -6.892 5.050 1.00 0.00 C ATOM 1197 OG SER A 75 -5.251 -7.818 5.230 1.00 0.00 O ATOM 0 H SER A 75 -1.818 -5.884 4.506 1.00 0.00 H new ATOM 0 HA SER A 75 -2.882 -7.919 6.415 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.378 -6.011 5.665 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.179 -6.559 4.012 1.00 0.00 H new ATOM 0 HG SER A 75 -6.101 -7.395 4.989 1.00 0.00 H new ATOM 1203 N ARG A 76 -3.228 -9.699 4.402 1.00 0.00 N ATOM 1204 CA ARG A 76 -2.959 -10.885 3.567 1.00 0.00 C ATOM 1205 C ARG A 76 -3.610 -10.708 2.169 1.00 0.00 C ATOM 1206 O ARG A 76 -4.833 -10.783 2.052 1.00 0.00 O ATOM 1207 CB ARG A 76 -3.486 -12.153 4.282 1.00 0.00 C ATOM 1208 CG ARG A 76 -2.792 -12.441 5.633 1.00 0.00 C ATOM 1209 CD ARG A 76 -3.418 -13.623 6.383 1.00 0.00 C ATOM 1210 NE ARG A 76 -4.836 -13.391 6.713 1.00 0.00 N ATOM 1211 CZ ARG A 76 -5.709 -14.347 7.081 1.00 0.00 C ATOM 1212 NH1 ARG A 76 -5.329 -15.620 7.178 1.00 0.00 N ATOM 1213 NH2 ARG A 76 -6.966 -14.019 7.351 1.00 0.00 N ATOM 0 H ARG A 76 -4.092 -9.766 4.940 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.885 -10.998 3.422 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.558 -12.045 4.450 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -3.351 -13.012 3.625 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -1.736 -12.646 5.457 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.844 -11.551 6.260 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.332 -14.523 5.774 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.859 -13.805 7.301 1.00 0.00 H new ATOM 0 HE ARG A 76 -5.182 -12.433 6.658 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.365 -15.882 6.972 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -6.002 -16.333 7.458 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -7.266 -13.047 7.279 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -7.632 -14.739 7.630 1.00 0.00 H new ATOM 1227 N PRO A 77 -2.800 -10.450 1.091 1.00 0.00 N ATOM 1228 CA PRO A 77 -3.326 -10.165 -0.270 1.00 0.00 C ATOM 1229 C PRO A 77 -4.040 -11.388 -0.893 1.00 0.00 C ATOM 1230 O PRO A 77 -3.420 -12.434 -1.134 1.00 0.00 O ATOM 1231 CB PRO A 77 -2.056 -9.773 -1.070 1.00 0.00 C ATOM 1232 CG PRO A 77 -0.943 -10.461 -0.347 1.00 0.00 C ATOM 1233 CD PRO A 77 -1.315 -10.418 1.112 1.00 0.00 C ATOM 0 HA PRO A 77 -4.087 -9.384 -0.267 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -2.121 -10.102 -2.107 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -1.913 -8.693 -1.086 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -0.829 -11.489 -0.692 1.00 0.00 H new ATOM 0 HG3 PRO A 77 0.008 -9.958 -0.523 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.903 -11.267 1.657 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -0.940 -9.516 1.596 1.00 0.00 H new ATOM 1241 N GLY A 78 -5.360 -11.249 -1.102 1.00 0.00 N ATOM 1242 CA GLY A 78 -6.185 -12.309 -1.691 1.00 0.00 C ATOM 1243 C GLY A 78 -7.561 -12.393 -1.051 1.00 0.00 C ATOM 1244 O GLY A 78 -8.521 -12.808 -1.706 1.00 0.00 O ATOM 0 H GLY A 78 -5.879 -10.403 -0.868 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -6.295 -12.129 -2.760 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -5.676 -13.266 -1.580 1.00 0.00 H new ATOM 1248 N GLN A 79 -7.647 -12.021 0.249 1.00 0.00 N ATOM 1249 CA GLN A 79 -8.916 -12.014 1.011 1.00 0.00 C ATOM 1250 C GLN A 79 -9.935 -11.042 0.360 1.00 0.00 C ATOM 1251 O GLN A 79 -9.693 -9.840 0.296 1.00 0.00 O ATOM 1252 CB GLN A 79 -8.642 -11.674 2.507 1.00 0.00 C ATOM 1253 CG GLN A 79 -7.922 -10.330 2.770 1.00 0.00 C ATOM 1254 CD GLN A 79 -7.538 -10.121 4.245 1.00 0.00 C ATOM 1255 OE1 GLN A 79 -6.455 -10.504 4.681 1.00 0.00 O ATOM 1256 NE2 GLN A 79 -8.424 -9.525 5.025 1.00 0.00 N ATOM 0 H GLN A 79 -6.841 -11.719 0.796 1.00 0.00 H new ATOM 0 HA GLN A 79 -9.361 -13.008 0.981 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -9.594 -11.665 3.038 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -8.043 -12.476 2.939 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -7.022 -10.283 2.158 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.568 -9.512 2.451 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.316 -9.216 4.640 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -8.215 -9.374 6.012 1.00 0.00 H new ATOM 1265 N ASP A 80 -11.007 -11.623 -0.233 1.00 0.00 N ATOM 1266 CA ASP A 80 -12.133 -10.900 -0.897 1.00 0.00 C ATOM 1267 C ASP A 80 -11.744 -10.214 -2.226 1.00 0.00 C ATOM 1268 O ASP A 80 -12.635 -9.846 -3.000 1.00 0.00 O ATOM 1269 CB ASP A 80 -12.808 -9.860 0.048 1.00 0.00 C ATOM 1270 CG ASP A 80 -13.526 -10.500 1.243 1.00 0.00 C ATOM 1271 OD1 ASP A 80 -14.626 -11.067 1.053 1.00 0.00 O ATOM 1272 OD2 ASP A 80 -13.007 -10.423 2.372 1.00 0.00 O ATOM 0 H ASP A 80 -11.120 -12.636 -0.266 1.00 0.00 H new ATOM 0 HA ASP A 80 -12.850 -11.685 -1.136 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -12.050 -9.169 0.416 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -13.525 -9.271 -0.524 1.00 0.00 H new ATOM 1277 N GLY A 81 -10.440 -10.042 -2.494 1.00 0.00 N ATOM 1278 CA GLY A 81 -9.970 -9.220 -3.609 1.00 0.00 C ATOM 1279 C GLY A 81 -9.580 -7.826 -3.144 1.00 0.00 C ATOM 1280 O GLY A 81 -9.395 -6.926 -3.962 1.00 0.00 O ATOM 0 H GLY A 81 -9.691 -10.467 -1.947 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -9.113 -9.701 -4.082 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -10.752 -9.148 -4.365 1.00 0.00 H new ATOM 1284 N VAL A 82 -9.470 -7.647 -1.819 1.00 0.00 N ATOM 1285 CA VAL A 82 -9.003 -6.399 -1.204 1.00 0.00 C ATOM 1286 C VAL A 82 -7.621 -6.629 -0.551 1.00 0.00 C ATOM 1287 O VAL A 82 -7.461 -7.495 0.319 1.00 0.00 O ATOM 1288 CB VAL A 82 -10.047 -5.825 -0.159 1.00 0.00 C ATOM 1289 CG1 VAL A 82 -10.474 -6.865 0.904 1.00 0.00 C ATOM 1290 CG2 VAL A 82 -9.506 -4.553 0.527 1.00 0.00 C ATOM 0 H VAL A 82 -9.705 -8.371 -1.140 1.00 0.00 H new ATOM 0 HA VAL A 82 -8.905 -5.647 -1.987 1.00 0.00 H new ATOM 0 HB VAL A 82 -10.938 -5.570 -0.733 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -11.189 -6.411 1.590 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -10.936 -7.720 0.411 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -9.598 -7.197 1.461 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -10.244 -4.182 1.239 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -8.581 -4.789 1.053 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -9.311 -3.789 -0.225 1.00 0.00 H new ATOM 1300 N ILE A 83 -6.611 -5.891 -1.045 1.00 0.00 N ATOM 1301 CA ILE A 83 -5.271 -5.827 -0.430 1.00 0.00 C ATOM 1302 C ILE A 83 -5.187 -4.556 0.430 1.00 0.00 C ATOM 1303 O ILE A 83 -5.849 -3.560 0.123 1.00 0.00 O ATOM 1304 CB ILE A 83 -4.136 -5.835 -1.523 1.00 0.00 C ATOM 1305 CG1 ILE A 83 -4.370 -7.002 -2.538 1.00 0.00 C ATOM 1306 CG2 ILE A 83 -2.726 -5.951 -0.878 1.00 0.00 C ATOM 1307 CD1 ILE A 83 -3.354 -7.097 -3.656 1.00 0.00 C ATOM 0 H ILE A 83 -6.701 -5.320 -1.885 1.00 0.00 H new ATOM 0 HA ILE A 83 -5.120 -6.708 0.194 1.00 0.00 H new ATOM 0 HB ILE A 83 -4.179 -4.886 -2.058 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.372 -7.944 -1.990 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.361 -6.887 -2.978 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.967 -5.954 -1.660 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.559 -5.103 -0.213 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -2.662 -6.878 -0.307 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -3.604 -7.937 -4.305 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -3.364 -6.174 -4.236 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -2.361 -7.248 -3.233 1.00 0.00 H new ATOM 1319 N ASN A 84 -4.417 -4.601 1.529 1.00 0.00 N ATOM 1320 CA ASN A 84 -4.253 -3.450 2.444 1.00 0.00 C ATOM 1321 C ASN A 84 -2.773 -3.282 2.808 1.00 0.00 C ATOM 1322 O ASN A 84 -2.034 -4.274 2.871 1.00 0.00 O ATOM 1323 CB ASN A 84 -5.102 -3.659 3.717 1.00 0.00 C ATOM 1324 CG ASN A 84 -6.599 -3.817 3.442 1.00 0.00 C ATOM 1325 OD1 ASN A 84 -7.335 -2.718 3.473 1.00 0.00 O flip ATOM 1326 ND2 ASN A 84 -7.086 -4.923 3.203 1.00 0.00 N flip ATOM 0 H ASN A 84 -3.892 -5.429 1.811 1.00 0.00 H new ATOM 0 HA ASN A 84 -4.596 -2.544 1.944 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -4.743 -4.545 4.241 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -4.952 -2.811 4.385 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -6.489 -5.750 3.187 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -8.086 -5.012 3.021 1.00 0.00 H new ATOM 1333 N GLY A 85 -2.358 -2.026 3.056 1.00 0.00 N ATOM 1334 CA GLY A 85 -0.962 -1.707 3.343 1.00 0.00 C ATOM 1335 C GLY A 85 -0.758 -0.289 3.869 1.00 0.00 C ATOM 1336 O GLY A 85 -1.733 0.428 4.099 1.00 0.00 O ATOM 0 H GLY A 85 -2.979 -1.217 3.061 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.579 -2.417 4.076 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.373 -1.837 2.435 1.00 0.00 H new ATOM 1340 N VAL A 86 0.520 0.112 4.070 1.00 0.00 N ATOM 1341 CA VAL A 86 0.906 1.463 4.545 1.00 0.00 C ATOM 1342 C VAL A 86 1.978 2.071 3.622 1.00 0.00 C ATOM 1343 O VAL A 86 2.901 1.371 3.186 1.00 0.00 O ATOM 1344 CB VAL A 86 1.430 1.459 6.036 1.00 0.00 C ATOM 1345 CG1 VAL A 86 0.296 1.131 7.036 1.00 0.00 C ATOM 1346 CG2 VAL A 86 2.627 0.494 6.204 1.00 0.00 C ATOM 0 H VAL A 86 1.320 -0.499 3.905 1.00 0.00 H new ATOM 0 HA VAL A 86 0.003 2.073 4.517 1.00 0.00 H new ATOM 0 HB VAL A 86 1.781 2.466 6.264 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.693 1.137 8.051 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.492 1.879 6.950 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.113 0.146 6.812 1.00 0.00 H new ATOM 0 HG21 VAL A 86 2.966 0.512 7.240 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.318 -0.518 5.941 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.441 0.807 5.550 1.00 0.00 H new ATOM 1356 N LEU A 87 1.852 3.382 3.314 1.00 0.00 N ATOM 1357 CA LEU A 87 2.750 4.058 2.364 1.00 0.00 C ATOM 1358 C LEU A 87 4.140 4.298 2.983 1.00 0.00 C ATOM 1359 O LEU A 87 4.270 4.944 4.024 1.00 0.00 O ATOM 1360 CB LEU A 87 2.159 5.408 1.898 1.00 0.00 C ATOM 1361 CG LEU A 87 2.945 6.125 0.748 1.00 0.00 C ATOM 1362 CD1 LEU A 87 3.021 5.251 -0.524 1.00 0.00 C ATOM 1363 CD2 LEU A 87 2.328 7.499 0.426 1.00 0.00 C ATOM 0 H LEU A 87 1.135 3.989 3.712 1.00 0.00 H new ATOM 0 HA LEU A 87 2.854 3.399 1.502 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.134 5.241 1.566 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.111 6.079 2.755 1.00 0.00 H new ATOM 0 HG LEU A 87 3.963 6.282 1.104 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.574 5.783 -1.298 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.530 4.315 -0.293 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.013 5.037 -0.879 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.894 7.973 -0.376 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.293 7.368 0.111 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.360 8.129 1.315 1.00 0.00 H new ATOM 1375 N ILE A 88 5.173 3.773 2.321 1.00 0.00 N ATOM 1376 CA ILE A 88 6.584 3.972 2.706 1.00 0.00 C ATOM 1377 C ILE A 88 7.338 4.674 1.562 1.00 0.00 C ATOM 1378 O ILE A 88 6.753 4.998 0.517 1.00 0.00 O ATOM 1379 CB ILE A 88 7.271 2.603 3.074 1.00 0.00 C ATOM 1380 CG1 ILE A 88 7.220 1.613 1.870 1.00 0.00 C ATOM 1381 CG2 ILE A 88 6.622 1.978 4.341 1.00 0.00 C ATOM 1382 CD1 ILE A 88 7.949 0.308 2.086 1.00 0.00 C ATOM 0 H ILE A 88 5.059 3.190 1.492 1.00 0.00 H new ATOM 0 HA ILE A 88 6.619 4.603 3.594 1.00 0.00 H new ATOM 0 HB ILE A 88 8.319 2.801 3.299 1.00 0.00 H new ATOM 0 HG12 ILE A 88 6.177 1.396 1.642 1.00 0.00 H new ATOM 0 HG13 ILE A 88 7.642 2.107 0.995 1.00 0.00 H new ATOM 0 HG21 ILE A 88 7.114 1.034 4.574 1.00 0.00 H new ATOM 0 HG22 ILE A 88 6.733 2.662 5.182 1.00 0.00 H new ATOM 0 HG23 ILE A 88 5.563 1.799 4.157 1.00 0.00 H new ATOM 0 HD11 ILE A 88 7.856 -0.312 1.195 1.00 0.00 H new ATOM 0 HD12 ILE A 88 9.003 0.508 2.281 1.00 0.00 H new ATOM 0 HD13 ILE A 88 7.515 -0.215 2.938 1.00 0.00 H new ATOM 1394 N ARG A 89 8.640 4.917 1.764 1.00 0.00 N ATOM 1395 CA ARG A 89 9.489 5.637 0.801 1.00 0.00 C ATOM 1396 C ARG A 89 10.678 4.736 0.414 1.00 0.00 C ATOM 1397 O ARG A 89 11.741 4.810 1.037 1.00 0.00 O ATOM 1398 CB ARG A 89 9.983 6.985 1.418 1.00 0.00 C ATOM 1399 CG ARG A 89 8.862 7.920 1.939 1.00 0.00 C ATOM 1400 CD ARG A 89 9.411 9.201 2.597 1.00 0.00 C ATOM 1401 NE ARG A 89 8.340 10.038 3.184 1.00 0.00 N ATOM 1402 CZ ARG A 89 8.311 11.386 3.175 1.00 0.00 C ATOM 1403 NH1 ARG A 89 9.249 12.084 2.534 1.00 0.00 N ATOM 1404 NH2 ARG A 89 7.336 12.029 3.805 1.00 0.00 N ATOM 0 H ARG A 89 9.138 4.619 2.603 1.00 0.00 H new ATOM 0 HA ARG A 89 8.915 5.874 -0.095 1.00 0.00 H new ATOM 0 HB2 ARG A 89 10.661 6.763 2.242 1.00 0.00 H new ATOM 0 HB3 ARG A 89 10.561 7.521 0.665 1.00 0.00 H new ATOM 0 HG2 ARG A 89 8.209 8.194 1.110 1.00 0.00 H new ATOM 0 HG3 ARG A 89 8.251 7.379 2.661 1.00 0.00 H new ATOM 0 HD2 ARG A 89 10.124 8.929 3.376 1.00 0.00 H new ATOM 0 HD3 ARG A 89 9.957 9.783 1.854 1.00 0.00 H new ATOM 0 HE ARG A 89 7.561 9.556 3.632 1.00 0.00 H new ATOM 0 HH11 ARG A 89 10.000 11.598 2.043 1.00 0.00 H new ATOM 0 HH12 ARG A 89 9.216 13.103 2.535 1.00 0.00 H new ATOM 0 HH21 ARG A 89 6.611 11.504 4.294 1.00 0.00 H new ATOM 0 HH22 ARG A 89 7.311 13.049 3.800 1.00 0.00 H new ATOM 1418 N GLU A 90 10.477 3.817 -0.557 1.00 0.00 N ATOM 1419 CA GLU A 90 11.581 2.975 -1.078 1.00 0.00 C ATOM 1420 C GLU A 90 12.200 3.632 -2.303 1.00 0.00 C ATOM 1421 O GLU A 90 13.228 4.317 -2.194 1.00 0.00 O ATOM 1422 CB GLU A 90 11.110 1.533 -1.416 1.00 0.00 C ATOM 1423 CG GLU A 90 10.560 0.746 -0.223 1.00 0.00 C ATOM 1424 CD GLU A 90 11.516 0.724 0.983 1.00 0.00 C ATOM 1425 OE1 GLU A 90 12.546 0.028 0.925 1.00 0.00 O ATOM 1426 OE2 GLU A 90 11.248 1.414 1.986 1.00 0.00 O ATOM 0 H GLU A 90 9.572 3.639 -0.993 1.00 0.00 H new ATOM 0 HA GLU A 90 12.331 2.891 -0.292 1.00 0.00 H new ATOM 0 HB2 GLU A 90 10.339 1.587 -2.185 1.00 0.00 H new ATOM 0 HB3 GLU A 90 11.948 0.982 -1.843 1.00 0.00 H new ATOM 0 HG2 GLU A 90 9.609 1.181 0.084 1.00 0.00 H new ATOM 0 HG3 GLU A 90 10.356 -0.278 -0.535 1.00 0.00 H new ATOM 1433 N LEU A 91 11.549 3.456 -3.465 1.00 0.00 N ATOM 1434 CA LEU A 91 12.066 3.940 -4.742 1.00 0.00 C ATOM 1435 C LEU A 91 11.694 5.419 -4.899 1.00 0.00 C ATOM 1436 O LEU A 91 10.564 5.746 -5.272 1.00 0.00 O ATOM 1437 CB LEU A 91 11.518 3.078 -5.913 1.00 0.00 C ATOM 1438 CG LEU A 91 11.736 1.534 -5.786 1.00 0.00 C ATOM 1439 CD1 LEU A 91 11.233 0.793 -7.043 1.00 0.00 C ATOM 1440 CD2 LEU A 91 13.216 1.189 -5.490 1.00 0.00 C ATOM 0 H LEU A 91 10.653 2.975 -3.538 1.00 0.00 H new ATOM 0 HA LEU A 91 13.152 3.850 -4.763 1.00 0.00 H new ATOM 0 HB2 LEU A 91 10.449 3.268 -6.009 1.00 0.00 H new ATOM 0 HB3 LEU A 91 11.986 3.417 -6.837 1.00 0.00 H new ATOM 0 HG LEU A 91 11.145 1.192 -4.937 1.00 0.00 H new ATOM 0 HD11 LEU A 91 11.398 -0.278 -6.925 1.00 0.00 H new ATOM 0 HD12 LEU A 91 10.168 0.983 -7.176 1.00 0.00 H new ATOM 0 HD13 LEU A 91 11.777 1.149 -7.918 1.00 0.00 H new ATOM 0 HD21 LEU A 91 13.328 0.108 -5.409 1.00 0.00 H new ATOM 0 HD22 LEU A 91 13.845 1.559 -6.300 1.00 0.00 H new ATOM 0 HD23 LEU A 91 13.518 1.657 -4.553 1.00 0.00 H new