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= -0.927 K(o=-0.99,f=-3.2!) USER MOD Set 1.2: A 84 ASN : amide:sc= -0.0594 K(o=-0.99,f=-4.8!) USER MOD Single : A 23 THR OG1 : rot 23:sc= 0.292 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc=-7.13e-05 K(o=-7.1e-05,f=-0.65) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.335 USER MOD Single : A 66 THR OG1 : rot -50:sc= 1.3 USER MOD Single : A 67 ASN : amide:sc= -0.609 K(o=-0.61,f=-7.3!) USER MOD Single : A 70 ASN : amide:sc= -0.263 K(o=-0.26,f=-5.5!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.0181 USER MOD Single : A 75 SER OG : rot -116:sc= -0.411 USER MOD Single : A 79 GLN :FLIP amide:sc= -1.66 F(o=-3,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 366 N THR A 23 -5.370 -4.813 -10.125 1.00 0.00 N ATOM 367 CA THR A 23 -4.968 -5.013 -8.728 1.00 0.00 C ATOM 368 C THR A 23 -5.095 -3.689 -7.923 1.00 0.00 C ATOM 369 O THR A 23 -4.386 -2.726 -8.193 1.00 0.00 O ATOM 370 CB THR A 23 -3.501 -5.568 -8.696 1.00 0.00 C ATOM 371 OG1 THR A 23 -3.382 -6.657 -9.626 1.00 0.00 O ATOM 372 CG2 THR A 23 -3.074 -6.075 -7.312 1.00 0.00 C ATOM 0 HA THR A 23 -5.630 -5.738 -8.255 1.00 0.00 H new ATOM 0 HB THR A 23 -2.850 -4.735 -8.962 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.083 -6.584 -10.307 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.050 -6.445 -7.360 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.132 -5.259 -6.592 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.737 -6.882 -7.000 1.00 0.00 H new ATOM 380 N ARG A 24 -6.031 -3.653 -6.960 1.00 0.00 N ATOM 381 CA ARG A 24 -6.324 -2.456 -6.131 1.00 0.00 C ATOM 382 C ARG A 24 -5.941 -2.697 -4.667 1.00 0.00 C ATOM 383 O ARG A 24 -6.088 -3.814 -4.154 1.00 0.00 O ATOM 384 CB ARG A 24 -7.834 -2.092 -6.227 1.00 0.00 C ATOM 385 CG ARG A 24 -8.296 -1.602 -7.620 1.00 0.00 C ATOM 386 CD ARG A 24 -7.758 -0.200 -7.950 1.00 0.00 C ATOM 387 NE ARG A 24 -8.069 0.187 -9.332 1.00 0.00 N ATOM 388 CZ ARG A 24 -8.509 1.385 -9.735 1.00 0.00 C ATOM 389 NH1 ARG A 24 -8.910 2.298 -8.862 1.00 0.00 N ATOM 390 NH2 ARG A 24 -8.554 1.653 -11.028 1.00 0.00 N ATOM 0 H ARG A 24 -6.614 -4.457 -6.728 1.00 0.00 H new ATOM 0 HA ARG A 24 -5.729 -1.626 -6.513 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -8.422 -2.967 -5.952 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.054 -1.316 -5.493 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.960 -2.307 -8.381 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.385 -1.589 -7.656 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.190 0.527 -7.262 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -6.679 -0.179 -7.800 1.00 0.00 H new ATOM 0 HE ARG A 24 -7.937 -0.523 -10.052 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -8.887 2.093 -7.863 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -9.242 3.205 -9.189 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.256 0.951 -11.705 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -8.887 2.562 -11.349 1.00 0.00 H new ATOM 404 N ILE A 25 -5.472 -1.629 -4.000 1.00 0.00 N ATOM 405 CA ILE A 25 -5.012 -1.682 -2.602 1.00 0.00 C ATOM 406 C ILE A 25 -5.461 -0.423 -1.833 1.00 0.00 C ATOM 407 O ILE A 25 -5.542 0.667 -2.404 1.00 0.00 O ATOM 408 CB ILE A 25 -3.441 -1.827 -2.552 1.00 0.00 C ATOM 409 CG1 ILE A 25 -2.901 -1.973 -1.087 1.00 0.00 C ATOM 410 CG2 ILE A 25 -2.752 -0.643 -3.281 1.00 0.00 C ATOM 411 CD1 ILE A 25 -1.415 -2.285 -0.979 1.00 0.00 C ATOM 0 H ILE A 25 -5.401 -0.701 -4.417 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.460 -2.552 -2.123 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.190 -2.749 -3.076 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.103 -1.048 -0.547 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.460 -2.763 -0.586 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.670 -0.766 -3.233 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -3.069 -0.624 -4.324 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.033 0.294 -2.799 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.136 -2.367 0.071 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.203 -3.227 -1.485 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.840 -1.485 -1.446 1.00 0.00 H new ATOM 423 N ASN A 26 -5.769 -0.589 -0.535 1.00 0.00 N ATOM 424 CA ASN A 26 -6.038 0.533 0.374 1.00 0.00 C ATOM 425 C ASN A 26 -4.729 0.908 1.070 1.00 0.00 C ATOM 426 O ASN A 26 -4.257 0.195 1.965 1.00 0.00 O ATOM 427 CB ASN A 26 -7.121 0.158 1.411 1.00 0.00 C ATOM 428 CG ASN A 26 -8.499 -0.030 0.776 1.00 0.00 C ATOM 429 OD1 ASN A 26 -8.840 0.634 -0.197 1.00 0.00 O ATOM 430 ND2 ASN A 26 -9.290 -0.939 1.312 1.00 0.00 N ATOM 0 H ASN A 26 -5.838 -1.504 -0.090 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.416 1.384 -0.193 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.830 -0.761 1.919 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -7.178 0.938 2.171 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -10.215 -1.106 0.917 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -8.976 -1.475 2.121 1.00 0.00 H new ATOM 437 N VAL A 27 -4.129 1.997 0.600 1.00 0.00 N ATOM 438 CA VAL A 27 -2.839 2.484 1.072 1.00 0.00 C ATOM 439 C VAL A 27 -3.061 3.431 2.258 1.00 0.00 C ATOM 440 O VAL A 27 -3.557 4.550 2.081 1.00 0.00 O ATOM 441 CB VAL A 27 -2.083 3.230 -0.085 1.00 0.00 C ATOM 442 CG1 VAL A 27 -0.706 3.732 0.368 1.00 0.00 C ATOM 443 CG2 VAL A 27 -1.968 2.337 -1.337 1.00 0.00 C ATOM 0 H VAL A 27 -4.535 2.577 -0.135 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.228 1.640 1.392 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.675 4.106 -0.350 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.214 4.242 -0.460 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.827 4.425 1.201 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.097 2.886 0.686 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.440 2.878 -2.123 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.417 1.430 -1.088 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.965 2.071 -1.687 1.00 0.00 H new ATOM 453 N VAL A 28 -2.733 2.962 3.460 1.00 0.00 N ATOM 454 CA VAL A 28 -2.872 3.738 4.698 1.00 0.00 C ATOM 455 C VAL A 28 -1.529 4.385 5.015 1.00 0.00 C ATOM 456 O VAL A 28 -0.607 3.715 5.488 1.00 0.00 O ATOM 457 CB VAL A 28 -3.319 2.827 5.901 1.00 0.00 C ATOM 458 CG1 VAL A 28 -3.503 3.642 7.204 1.00 0.00 C ATOM 459 CG2 VAL A 28 -4.594 2.030 5.553 1.00 0.00 C ATOM 0 H VAL A 28 -2.359 2.024 3.607 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.641 4.497 4.555 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.516 2.112 6.081 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.812 2.976 8.009 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.560 4.120 7.470 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.267 4.405 7.051 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.879 1.410 6.403 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.404 2.722 5.321 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.401 1.395 4.689 1.00 0.00 H new ATOM 469 N ASP A 29 -1.395 5.674 4.692 1.00 0.00 N ATOM 470 CA ASP A 29 -0.221 6.455 5.078 1.00 0.00 C ATOM 471 C ASP A 29 -0.167 6.503 6.623 1.00 0.00 C ATOM 472 O ASP A 29 -1.034 7.128 7.237 1.00 0.00 O ATOM 473 CB ASP A 29 -0.283 7.880 4.487 1.00 0.00 C ATOM 474 CG ASP A 29 1.076 8.604 4.555 1.00 0.00 C ATOM 475 OD1 ASP A 29 1.510 8.970 5.664 1.00 0.00 O ATOM 476 OD2 ASP A 29 1.719 8.802 3.507 1.00 0.00 O ATOM 0 H ASP A 29 -2.090 6.199 4.161 1.00 0.00 H new ATOM 0 HA ASP A 29 0.681 5.986 4.685 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -0.611 7.826 3.449 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -1.029 8.462 5.027 1.00 0.00 H new ATOM 481 N PRO A 30 0.837 5.844 7.271 1.00 0.00 N ATOM 482 CA PRO A 30 0.795 5.572 8.730 1.00 0.00 C ATOM 483 C PRO A 30 1.002 6.829 9.600 1.00 0.00 C ATOM 484 O PRO A 30 0.584 6.859 10.762 1.00 0.00 O ATOM 485 CB PRO A 30 1.940 4.543 8.918 1.00 0.00 C ATOM 486 CG PRO A 30 2.925 4.891 7.842 1.00 0.00 C ATOM 487 CD PRO A 30 2.094 5.326 6.650 1.00 0.00 C ATOM 0 HA PRO A 30 -0.181 5.209 9.052 1.00 0.00 H new ATOM 0 HB2 PRO A 30 2.388 4.621 9.909 1.00 0.00 H new ATOM 0 HB3 PRO A 30 1.578 3.520 8.812 1.00 0.00 H new ATOM 0 HG2 PRO A 30 3.593 5.689 8.166 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.550 4.034 7.592 1.00 0.00 H new ATOM 0 HD2 PRO A 30 2.600 6.095 6.067 1.00 0.00 H new ATOM 0 HD3 PRO A 30 1.895 4.494 5.975 1.00 0.00 H new ATOM 495 N GLU A 31 1.642 7.865 9.029 1.00 0.00 N ATOM 496 CA GLU A 31 1.985 9.098 9.766 1.00 0.00 C ATOM 497 C GLU A 31 0.926 10.209 9.570 1.00 0.00 C ATOM 498 O GLU A 31 0.535 10.862 10.549 1.00 0.00 O ATOM 499 CB GLU A 31 3.417 9.575 9.382 1.00 0.00 C ATOM 500 CG GLU A 31 3.696 9.740 7.875 1.00 0.00 C ATOM 501 CD GLU A 31 5.191 9.933 7.549 1.00 0.00 C ATOM 502 OE1 GLU A 31 5.749 11.009 7.857 1.00 0.00 O ATOM 503 OE2 GLU A 31 5.816 9.008 6.987 1.00 0.00 O ATOM 0 H GLU A 31 1.935 7.874 8.052 1.00 0.00 H new ATOM 0 HA GLU A 31 1.982 8.867 10.831 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.603 10.531 9.872 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.136 8.863 9.788 1.00 0.00 H new ATOM 0 HG2 GLU A 31 3.326 8.862 7.346 1.00 0.00 H new ATOM 0 HG3 GLU A 31 3.136 10.597 7.501 1.00 0.00 H new ATOM 510 N THR A 32 0.458 10.420 8.321 1.00 0.00 N ATOM 511 CA THR A 32 -0.542 11.480 8.010 1.00 0.00 C ATOM 512 C THR A 32 -1.985 10.966 8.202 1.00 0.00 C ATOM 513 O THR A 32 -2.905 11.757 8.443 1.00 0.00 O ATOM 514 CB THR A 32 -0.386 12.029 6.551 1.00 0.00 C ATOM 515 OG1 THR A 32 -0.716 11.012 5.599 1.00 0.00 O ATOM 516 CG2 THR A 32 1.039 12.530 6.274 1.00 0.00 C ATOM 0 H THR A 32 0.752 9.876 7.510 1.00 0.00 H new ATOM 0 HA THR A 32 -0.350 12.293 8.711 1.00 0.00 H new ATOM 0 HB THR A 32 -1.071 12.871 6.453 1.00 0.00 H new ATOM 0 HG1 THR A 32 -0.616 11.368 4.692 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.102 12.902 5.251 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.283 13.334 6.968 1.00 0.00 H new ATOM 0 HG23 THR A 32 1.745 11.710 6.406 1.00 0.00 H new ATOM 524 N GLY A 33 -2.167 9.636 8.081 1.00 0.00 N ATOM 525 CA GLY A 33 -3.473 8.987 8.255 1.00 0.00 C ATOM 526 C GLY A 33 -4.307 8.912 6.975 1.00 0.00 C ATOM 527 O GLY A 33 -5.478 8.506 7.035 1.00 0.00 O ATOM 0 H GLY A 33 -1.412 8.987 7.860 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.317 7.977 8.635 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -4.038 9.529 9.013 1.00 0.00 H new ATOM 531 N LYS A 34 -3.720 9.310 5.827 1.00 0.00 N ATOM 532 CA LYS A 34 -4.412 9.291 4.527 1.00 0.00 C ATOM 533 C LYS A 34 -4.598 7.845 4.020 1.00 0.00 C ATOM 534 O LYS A 34 -3.634 7.195 3.609 1.00 0.00 O ATOM 535 CB LYS A 34 -3.617 10.117 3.483 1.00 0.00 C ATOM 536 CG LYS A 34 -3.522 11.627 3.782 1.00 0.00 C ATOM 537 CD LYS A 34 -4.891 12.344 3.710 1.00 0.00 C ATOM 538 CE LYS A 34 -4.767 13.860 3.929 1.00 0.00 C ATOM 539 NZ LYS A 34 -6.083 14.550 3.854 1.00 0.00 N ATOM 0 H LYS A 34 -2.760 9.651 5.778 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.397 9.738 4.663 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -2.608 9.711 3.413 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.082 9.984 2.506 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.095 11.769 4.775 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.837 12.090 3.071 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.347 12.156 2.738 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.559 11.924 4.462 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.315 14.049 4.903 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.096 14.280 3.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.949 15.570 4.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.504 14.393 2.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.717 14.170 4.586 1.00 0.00 H new ATOM 553 N VAL A 35 -5.842 7.353 4.074 1.00 0.00 N ATOM 554 CA VAL A 35 -6.220 6.041 3.521 1.00 0.00 C ATOM 555 C VAL A 35 -6.818 6.265 2.121 1.00 0.00 C ATOM 556 O VAL A 35 -7.926 6.795 1.999 1.00 0.00 O ATOM 557 CB VAL A 35 -7.259 5.294 4.442 1.00 0.00 C ATOM 558 CG1 VAL A 35 -7.563 3.868 3.917 1.00 0.00 C ATOM 559 CG2 VAL A 35 -6.771 5.255 5.909 1.00 0.00 C ATOM 0 H VAL A 35 -6.620 7.854 4.504 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.333 5.410 3.465 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.191 5.859 4.411 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.283 3.383 4.577 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.978 3.931 2.911 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.642 3.285 3.894 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.506 4.734 6.523 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.817 4.730 5.961 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.646 6.273 6.278 1.00 0.00 H new ATOM 569 N GLU A 36 -6.083 5.853 1.079 1.00 0.00 N ATOM 570 CA GLU A 36 -6.426 6.151 -0.321 1.00 0.00 C ATOM 571 C GLU A 36 -6.245 4.891 -1.178 1.00 0.00 C ATOM 572 O GLU A 36 -5.258 4.166 -1.017 1.00 0.00 O ATOM 573 CB GLU A 36 -5.534 7.316 -0.840 1.00 0.00 C ATOM 574 CG GLU A 36 -5.738 7.710 -2.324 1.00 0.00 C ATOM 575 CD GLU A 36 -7.181 8.121 -2.670 1.00 0.00 C ATOM 576 OE1 GLU A 36 -7.590 9.245 -2.323 1.00 0.00 O ATOM 577 OE2 GLU A 36 -7.917 7.316 -3.287 1.00 0.00 O ATOM 0 H GLU A 36 -5.231 5.302 1.182 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.469 6.461 -0.388 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -5.720 8.194 -0.222 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -4.489 7.040 -0.697 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.068 8.535 -2.566 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -5.449 6.870 -2.955 1.00 0.00 H new ATOM 584 N ILE A 37 -7.205 4.649 -2.085 1.00 0.00 N ATOM 585 CA ILE A 37 -7.186 3.502 -2.999 1.00 0.00 C ATOM 586 C ILE A 37 -6.191 3.783 -4.140 1.00 0.00 C ATOM 587 O ILE A 37 -6.215 4.867 -4.738 1.00 0.00 O ATOM 588 CB ILE A 37 -8.617 3.210 -3.582 1.00 0.00 C ATOM 589 CG1 ILE A 37 -9.646 2.997 -2.414 1.00 0.00 C ATOM 590 CG2 ILE A 37 -8.596 1.985 -4.544 1.00 0.00 C ATOM 591 CD1 ILE A 37 -11.081 2.781 -2.855 1.00 0.00 C ATOM 0 H ILE A 37 -8.021 5.250 -2.203 1.00 0.00 H new ATOM 0 HA ILE A 37 -6.872 2.618 -2.444 1.00 0.00 H new ATOM 0 HB ILE A 37 -8.932 4.075 -4.165 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -9.330 2.137 -1.824 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -9.611 3.865 -1.756 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -9.600 1.809 -4.930 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -7.918 2.185 -5.373 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -8.256 1.103 -4.002 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -11.714 2.644 -1.979 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -11.423 3.650 -3.418 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -11.138 1.894 -3.486 1.00 0.00 H new ATOM 603 N ALA A 38 -5.312 2.809 -4.419 1.00 0.00 N ATOM 604 CA ALA A 38 -4.289 2.916 -5.463 1.00 0.00 C ATOM 605 C ALA A 38 -4.290 1.678 -6.363 1.00 0.00 C ATOM 606 O ALA A 38 -4.870 0.635 -6.024 1.00 0.00 O ATOM 607 CB ALA A 38 -2.920 3.126 -4.823 1.00 0.00 C ATOM 0 H ALA A 38 -5.293 1.919 -3.921 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.519 3.776 -6.092 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -2.162 3.205 -5.602 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -2.931 4.043 -4.233 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -2.688 2.281 -4.175 1.00 0.00 H new ATOM 613 N GLU A 39 -3.621 1.823 -7.510 1.00 0.00 N ATOM 614 CA GLU A 39 -3.487 0.774 -8.526 1.00 0.00 C ATOM 615 C GLU A 39 -2.076 0.178 -8.434 1.00 0.00 C ATOM 616 O GLU A 39 -1.093 0.899 -8.653 1.00 0.00 O ATOM 617 CB GLU A 39 -3.733 1.405 -9.923 1.00 0.00 C ATOM 618 CG GLU A 39 -5.099 2.114 -10.045 1.00 0.00 C ATOM 619 CD GLU A 39 -5.280 2.891 -11.354 1.00 0.00 C ATOM 620 OE1 GLU A 39 -5.656 2.279 -12.373 1.00 0.00 O ATOM 621 OE2 GLU A 39 -5.066 4.125 -11.371 1.00 0.00 O ATOM 0 H GLU A 39 -3.148 2.690 -7.764 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.214 -0.022 -8.366 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.940 2.122 -10.134 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.668 0.625 -10.682 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -5.892 1.371 -9.962 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.217 2.801 -9.207 1.00 0.00 H new ATOM 628 N ILE A 40 -1.974 -1.127 -8.101 1.00 0.00 N ATOM 629 CA ILE A 40 -0.682 -1.810 -7.984 1.00 0.00 C ATOM 630 C ILE A 40 -0.156 -2.114 -9.402 1.00 0.00 C ATOM 631 O ILE A 40 -0.720 -2.945 -10.128 1.00 0.00 O ATOM 632 CB ILE A 40 -0.790 -3.136 -7.138 1.00 0.00 C ATOM 633 CG1 ILE A 40 -1.232 -2.819 -5.671 1.00 0.00 C ATOM 634 CG2 ILE A 40 0.531 -3.949 -7.157 1.00 0.00 C ATOM 635 CD1 ILE A 40 -1.355 -4.030 -4.752 1.00 0.00 C ATOM 0 H ILE A 40 -2.778 -1.724 -7.909 1.00 0.00 H new ATOM 0 HA ILE A 40 0.013 -1.157 -7.456 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.554 -3.759 -7.604 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.515 -2.124 -5.235 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.194 -2.307 -5.701 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.410 -4.854 -6.561 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.776 -4.221 -8.184 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.336 -3.345 -6.739 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.666 -3.704 -3.760 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.096 -4.720 -5.156 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.391 -4.533 -4.683 1.00 0.00 H new ATOM 647 N ARG A 41 0.906 -1.402 -9.782 1.00 0.00 N ATOM 648 CA ARG A 41 1.572 -1.561 -11.082 1.00 0.00 C ATOM 649 C ARG A 41 2.549 -2.737 -11.052 1.00 0.00 C ATOM 650 O ARG A 41 2.656 -3.499 -12.021 1.00 0.00 O ATOM 651 CB ARG A 41 2.300 -0.253 -11.467 1.00 0.00 C ATOM 652 CG ARG A 41 1.397 1.001 -11.450 1.00 0.00 C ATOM 653 CD ARG A 41 2.086 2.232 -12.054 1.00 0.00 C ATOM 654 NE ARG A 41 3.385 2.526 -11.414 1.00 0.00 N ATOM 655 CZ ARG A 41 3.749 3.707 -10.901 1.00 0.00 C ATOM 656 NH1 ARG A 41 2.893 4.715 -10.833 1.00 0.00 N ATOM 657 NH2 ARG A 41 4.980 3.871 -10.444 1.00 0.00 N ATOM 0 H ARG A 41 1.335 -0.690 -9.191 1.00 0.00 H new ATOM 0 HA ARG A 41 0.815 -1.775 -11.837 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.132 -0.097 -10.780 1.00 0.00 H new ATOM 0 HB3 ARG A 41 2.726 -0.367 -12.464 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.482 0.793 -12.004 1.00 0.00 H new ATOM 0 HG3 ARG A 41 1.105 1.220 -10.423 1.00 0.00 H new ATOM 0 HD2 ARG A 41 2.239 2.071 -13.121 1.00 0.00 H new ATOM 0 HD3 ARG A 41 1.431 3.097 -11.952 1.00 0.00 H new ATOM 0 HE ARG A 41 4.061 1.764 -11.359 1.00 0.00 H new ATOM 0 HH11 ARG A 41 1.939 4.598 -11.175 1.00 0.00 H new ATOM 0 HH12 ARG A 41 3.188 5.608 -10.439 1.00 0.00 H new ATOM 0 HH21 ARG A 41 5.646 3.099 -10.484 1.00 0.00 H new ATOM 0 HH22 ARG A 41 5.263 4.769 -10.052 1.00 0.00 H new ATOM 671 N ASN A 42 3.259 -2.878 -9.922 1.00 0.00 N ATOM 672 CA ASN A 42 4.264 -3.937 -9.721 1.00 0.00 C ATOM 673 C ASN A 42 3.984 -4.681 -8.414 1.00 0.00 C ATOM 674 O ASN A 42 3.805 -4.063 -7.366 1.00 0.00 O ATOM 675 CB ASN A 42 5.704 -3.346 -9.700 1.00 0.00 C ATOM 676 CG ASN A 42 6.170 -2.813 -11.057 1.00 0.00 C ATOM 677 OD1 ASN A 42 5.784 -3.321 -12.109 1.00 0.00 O ATOM 678 ND2 ASN A 42 7.020 -1.807 -11.040 1.00 0.00 N ATOM 0 H ASN A 42 3.153 -2.259 -9.118 1.00 0.00 H new ATOM 0 HA ASN A 42 4.195 -4.635 -10.555 1.00 0.00 H new ATOM 0 HB2 ASN A 42 5.745 -2.539 -8.969 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.398 -4.116 -9.364 1.00 0.00 H new ATOM 0 HD21 ASN A 42 7.378 -1.427 -11.916 1.00 0.00 H new ATOM 0 HD22 ASN A 42 7.320 -1.408 -10.151 1.00 0.00 H new ATOM 685 N VAL A 43 3.944 -6.011 -8.503 1.00 0.00 N ATOM 686 CA VAL A 43 3.823 -6.913 -7.337 1.00 0.00 C ATOM 687 C VAL A 43 5.217 -7.425 -6.926 1.00 0.00 C ATOM 688 O VAL A 43 5.371 -8.042 -5.862 1.00 0.00 O ATOM 689 CB VAL A 43 2.870 -8.118 -7.651 1.00 0.00 C ATOM 690 CG1 VAL A 43 1.433 -7.626 -7.910 1.00 0.00 C ATOM 691 CG2 VAL A 43 3.386 -8.947 -8.853 1.00 0.00 C ATOM 0 H VAL A 43 3.995 -6.506 -9.393 1.00 0.00 H new ATOM 0 HA VAL A 43 3.389 -6.351 -6.510 1.00 0.00 H new ATOM 0 HB VAL A 43 2.860 -8.768 -6.776 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.790 -8.479 -8.126 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.062 -7.106 -7.027 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.429 -6.945 -8.761 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.703 -9.774 -9.044 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.442 -8.311 -9.736 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.377 -9.340 -8.625 1.00 0.00 H new ATOM 914 N ILE A 57 1.168 -13.313 -6.244 1.00 0.00 N ATOM 915 CA ILE A 57 1.202 -13.757 -4.840 1.00 0.00 C ATOM 916 C ILE A 57 1.915 -12.690 -3.978 1.00 0.00 C ATOM 917 O ILE A 57 3.142 -12.704 -3.823 1.00 0.00 O ATOM 918 CB ILE A 57 1.925 -15.160 -4.692 1.00 0.00 C ATOM 919 CG1 ILE A 57 1.290 -16.220 -5.655 1.00 0.00 C ATOM 920 CG2 ILE A 57 1.902 -15.664 -3.222 1.00 0.00 C ATOM 921 CD1 ILE A 57 1.958 -17.592 -5.641 1.00 0.00 C ATOM 0 HA ILE A 57 0.176 -13.879 -4.493 1.00 0.00 H new ATOM 0 HB ILE A 57 2.968 -15.022 -4.975 1.00 0.00 H new ATOM 0 HG12 ILE A 57 0.239 -16.342 -5.393 1.00 0.00 H new ATOM 0 HG13 ILE A 57 1.321 -15.829 -6.672 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.407 -16.628 -3.160 1.00 0.00 H new ATOM 0 HG22 ILE A 57 2.414 -14.945 -2.583 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.869 -15.773 -2.891 1.00 0.00 H new ATOM 0 HD11 ILE A 57 1.446 -18.253 -6.340 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.002 -17.491 -5.936 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.904 -18.013 -4.637 1.00 0.00 H new ATOM 933 N ILE A 58 1.133 -11.718 -3.497 1.00 0.00 N ATOM 934 CA ILE A 58 1.618 -10.650 -2.621 1.00 0.00 C ATOM 935 C ILE A 58 1.640 -11.175 -1.176 1.00 0.00 C ATOM 936 O ILE A 58 0.688 -11.821 -0.740 1.00 0.00 O ATOM 937 CB ILE A 58 0.706 -9.376 -2.736 1.00 0.00 C ATOM 938 CG1 ILE A 58 0.674 -8.853 -4.212 1.00 0.00 C ATOM 939 CG2 ILE A 58 1.176 -8.267 -1.775 1.00 0.00 C ATOM 940 CD1 ILE A 58 -0.294 -7.710 -4.471 1.00 0.00 C ATOM 0 H ILE A 58 0.137 -11.651 -3.707 1.00 0.00 H new ATOM 0 HA ILE A 58 2.624 -10.358 -2.922 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.306 -9.660 -2.449 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.677 -8.528 -4.488 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.416 -9.683 -4.870 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.526 -7.398 -1.877 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.135 -8.633 -0.749 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.200 -7.985 -2.018 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.242 -7.420 -5.520 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.308 -8.031 -4.233 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.027 -6.858 -3.845 1.00 0.00 H new ATOM 952 N THR A 59 2.734 -10.925 -0.453 1.00 0.00 N ATOM 953 CA THR A 59 2.922 -11.432 0.916 1.00 0.00 C ATOM 954 C THR A 59 3.037 -10.273 1.918 1.00 0.00 C ATOM 955 O THR A 59 3.214 -9.110 1.520 1.00 0.00 O ATOM 956 CB THR A 59 4.196 -12.339 0.969 1.00 0.00 C ATOM 957 OG1 THR A 59 5.341 -11.604 0.504 1.00 0.00 O ATOM 958 CG2 THR A 59 4.037 -13.609 0.109 1.00 0.00 C ATOM 0 H THR A 59 3.516 -10.367 -0.796 1.00 0.00 H new ATOM 0 HA THR A 59 2.051 -12.026 1.195 1.00 0.00 H new ATOM 0 HB THR A 59 4.333 -12.642 2.007 1.00 0.00 H new ATOM 0 HG1 THR A 59 6.135 -12.177 0.542 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.945 -14.209 0.175 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.190 -14.191 0.472 1.00 0.00 H new ATOM 0 HG23 THR A 59 3.864 -13.326 -0.929 1.00 0.00 H new ATOM 966 N ARG A 60 2.924 -10.594 3.223 1.00 0.00 N ATOM 967 CA ARG A 60 3.112 -9.610 4.295 1.00 0.00 C ATOM 968 C ARG A 60 4.597 -9.228 4.391 1.00 0.00 C ATOM 969 O ARG A 60 5.470 -10.101 4.466 1.00 0.00 O ATOM 970 CB ARG A 60 2.572 -10.131 5.649 1.00 0.00 C ATOM 971 CG ARG A 60 1.031 -10.162 5.739 1.00 0.00 C ATOM 972 CD ARG A 60 0.530 -10.539 7.135 1.00 0.00 C ATOM 973 NE ARG A 60 -0.935 -10.387 7.255 1.00 0.00 N ATOM 974 CZ ARG A 60 -1.782 -11.330 7.698 1.00 0.00 C ATOM 975 NH1 ARG A 60 -1.330 -12.529 8.045 1.00 0.00 N ATOM 976 NH2 ARG A 60 -3.083 -11.075 7.784 1.00 0.00 N ATOM 0 H ARG A 60 2.702 -11.533 3.555 1.00 0.00 H new ATOM 0 HA ARG A 60 2.536 -8.717 4.052 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.956 -11.137 5.819 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.960 -9.502 6.450 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.635 -9.183 5.467 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.643 -10.876 5.013 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.807 -11.570 7.354 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.022 -9.912 7.879 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.336 -9.491 6.978 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.334 -12.738 7.976 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -1.979 -13.241 8.381 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -3.442 -10.160 7.513 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -3.723 -11.795 8.121 1.00 0.00 H new ATOM 990 N GLY A 61 4.859 -7.914 4.346 1.00 0.00 N ATOM 991 CA GLY A 61 6.218 -7.371 4.333 1.00 0.00 C ATOM 992 C GLY A 61 6.750 -7.145 2.925 1.00 0.00 C ATOM 993 O GLY A 61 7.853 -6.614 2.764 1.00 0.00 O ATOM 0 H GLY A 61 4.131 -7.200 4.318 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.232 -6.427 4.878 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.882 -8.054 4.862 1.00 0.00 H new ATOM 997 N ALA A 62 5.987 -7.578 1.898 1.00 0.00 N ATOM 998 CA ALA A 62 6.358 -7.369 0.487 1.00 0.00 C ATOM 999 C ALA A 62 6.032 -5.934 0.052 1.00 0.00 C ATOM 1000 O ALA A 62 5.002 -5.368 0.450 1.00 0.00 O ATOM 1001 CB ALA A 62 5.651 -8.381 -0.427 1.00 0.00 C ATOM 0 H ALA A 62 5.106 -8.077 2.024 1.00 0.00 H new ATOM 0 HA ALA A 62 7.433 -7.525 0.395 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.943 -8.203 -1.462 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.936 -9.393 -0.138 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.571 -8.266 -0.330 1.00 0.00 H new ATOM 1007 N VAL A 63 6.939 -5.342 -0.730 1.00 0.00 N ATOM 1008 CA VAL A 63 6.784 -3.985 -1.262 1.00 0.00 C ATOM 1009 C VAL A 63 6.059 -4.028 -2.621 1.00 0.00 C ATOM 1010 O VAL A 63 6.552 -4.630 -3.569 1.00 0.00 O ATOM 1011 CB VAL A 63 8.182 -3.287 -1.436 1.00 0.00 C ATOM 1012 CG1 VAL A 63 8.044 -1.832 -1.933 1.00 0.00 C ATOM 1013 CG2 VAL A 63 9.002 -3.343 -0.129 1.00 0.00 C ATOM 0 H VAL A 63 7.808 -5.794 -1.014 1.00 0.00 H new ATOM 0 HA VAL A 63 6.192 -3.409 -0.551 1.00 0.00 H new ATOM 0 HB VAL A 63 8.721 -3.844 -2.202 1.00 0.00 H new ATOM 0 HG11 VAL A 63 9.034 -1.388 -2.039 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.537 -1.824 -2.898 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.463 -1.255 -1.213 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.963 -2.852 -0.281 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.456 -2.833 0.665 1.00 0.00 H new ATOM 0 HG23 VAL A 63 9.166 -4.383 0.153 1.00 0.00 H new ATOM 1023 N VAL A 64 4.890 -3.401 -2.725 1.00 0.00 N ATOM 1024 CA VAL A 64 4.206 -3.236 -4.019 1.00 0.00 C ATOM 1025 C VAL A 64 4.376 -1.796 -4.501 1.00 0.00 C ATOM 1026 O VAL A 64 4.544 -0.882 -3.692 1.00 0.00 O ATOM 1027 CB VAL A 64 2.688 -3.622 -3.955 1.00 0.00 C ATOM 1028 CG1 VAL A 64 2.512 -5.129 -3.655 1.00 0.00 C ATOM 1029 CG2 VAL A 64 1.916 -2.756 -2.934 1.00 0.00 C ATOM 0 H VAL A 64 4.391 -2.996 -1.933 1.00 0.00 H new ATOM 0 HA VAL A 64 4.668 -3.923 -4.729 1.00 0.00 H new ATOM 0 HB VAL A 64 2.260 -3.420 -4.937 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.450 -5.371 -3.616 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.989 -5.715 -4.441 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.973 -5.365 -2.696 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.868 -3.056 -2.921 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.345 -2.894 -1.942 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.989 -1.706 -3.218 1.00 0.00 H new ATOM 1039 N GLU A 65 4.366 -1.592 -5.816 1.00 0.00 N ATOM 1040 CA GLU A 65 4.451 -0.255 -6.417 1.00 0.00 C ATOM 1041 C GLU A 65 3.060 0.164 -6.885 1.00 0.00 C ATOM 1042 O GLU A 65 2.343 -0.630 -7.492 1.00 0.00 O ATOM 1043 CB GLU A 65 5.433 -0.254 -7.598 1.00 0.00 C ATOM 1044 CG GLU A 65 5.622 1.126 -8.254 1.00 0.00 C ATOM 1045 CD GLU A 65 6.500 1.076 -9.505 1.00 0.00 C ATOM 1046 OE1 GLU A 65 7.736 1.095 -9.372 1.00 0.00 O ATOM 1047 OE2 GLU A 65 5.955 1.018 -10.627 1.00 0.00 O ATOM 0 H GLU A 65 4.299 -2.347 -6.499 1.00 0.00 H new ATOM 0 HA GLU A 65 4.819 0.453 -5.674 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.401 -0.616 -7.252 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.080 -0.958 -8.352 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.646 1.534 -8.517 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.068 1.808 -7.530 1.00 0.00 H new ATOM 1054 N THR A 66 2.680 1.404 -6.571 1.00 0.00 N ATOM 1055 CA THR A 66 1.381 1.970 -6.933 1.00 0.00 C ATOM 1056 C THR A 66 1.585 3.364 -7.544 1.00 0.00 C ATOM 1057 O THR A 66 2.726 3.831 -7.706 1.00 0.00 O ATOM 1058 CB THR A 66 0.432 2.062 -5.682 1.00 0.00 C ATOM 1059 OG1 THR A 66 0.968 2.990 -4.727 1.00 0.00 O ATOM 1060 CG2 THR A 66 0.211 0.700 -4.991 1.00 0.00 C ATOM 0 H THR A 66 3.274 2.051 -6.052 1.00 0.00 H new ATOM 0 HA THR A 66 0.908 1.314 -7.664 1.00 0.00 H new ATOM 0 HB THR A 66 -0.535 2.404 -6.051 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.911 2.781 -4.562 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.452 0.829 -4.136 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.240 0.003 -5.697 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.168 0.305 -4.651 1.00 0.00 H new ATOM 1068 N ASN A 67 0.466 4.035 -7.863 1.00 0.00 N ATOM 1069 CA ASN A 67 0.477 5.425 -8.360 1.00 0.00 C ATOM 1070 C ASN A 67 0.720 6.421 -7.203 1.00 0.00 C ATOM 1071 O ASN A 67 0.922 7.617 -7.445 1.00 0.00 O ATOM 1072 CB ASN A 67 -0.842 5.740 -9.117 1.00 0.00 C ATOM 1073 CG ASN A 67 -1.021 4.878 -10.377 1.00 0.00 C ATOM 1074 OD1 ASN A 67 -0.056 4.504 -11.034 1.00 0.00 O ATOM 1075 ND2 ASN A 67 -2.254 4.560 -10.721 1.00 0.00 N ATOM 0 H ASN A 67 -0.468 3.634 -7.785 1.00 0.00 H new ATOM 0 HA ASN A 67 1.301 5.536 -9.064 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -1.688 5.579 -8.448 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -0.853 6.793 -9.397 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -2.421 3.990 -11.550 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -3.040 4.884 -10.158 1.00 0.00 H new ATOM 1082 N LEU A 68 0.707 5.915 -5.949 1.00 0.00 N ATOM 1083 CA LEU A 68 1.029 6.706 -4.747 1.00 0.00 C ATOM 1084 C LEU A 68 2.501 6.494 -4.334 1.00 0.00 C ATOM 1085 O LEU A 68 3.048 7.265 -3.536 1.00 0.00 O ATOM 1086 CB LEU A 68 0.097 6.301 -3.577 1.00 0.00 C ATOM 1087 CG LEU A 68 -1.443 6.405 -3.839 1.00 0.00 C ATOM 1088 CD1 LEU A 68 -2.252 6.077 -2.562 1.00 0.00 C ATOM 1089 CD2 LEU A 68 -1.847 7.789 -4.402 1.00 0.00 C ATOM 0 H LEU A 68 0.472 4.944 -5.745 1.00 0.00 H new ATOM 0 HA LEU A 68 0.878 7.760 -4.981 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.327 5.272 -3.299 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.339 6.925 -2.717 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.684 5.661 -4.599 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.318 6.158 -2.776 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.023 5.062 -2.237 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.986 6.780 -1.772 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.924 7.814 -4.568 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.571 8.566 -3.689 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.330 7.963 -5.346 1.00 0.00 H new ATOM 1101 N GLY A 69 3.126 5.442 -4.896 1.00 0.00 N ATOM 1102 CA GLY A 69 4.495 5.046 -4.557 1.00 0.00 C ATOM 1103 C GLY A 69 4.554 3.625 -4.024 1.00 0.00 C ATOM 1104 O GLY A 69 3.680 2.810 -4.318 1.00 0.00 O ATOM 0 H GLY A 69 2.690 4.845 -5.599 1.00 0.00 H new ATOM 0 HA2 GLY A 69 5.127 5.129 -5.441 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.898 5.731 -3.811 1.00 0.00 H new ATOM 1108 N ASN A 70 5.603 3.317 -3.261 1.00 0.00 N ATOM 1109 CA ASN A 70 5.795 1.983 -2.659 1.00 0.00 C ATOM 1110 C ASN A 70 4.956 1.815 -1.388 1.00 0.00 C ATOM 1111 O ASN A 70 4.847 2.739 -0.588 1.00 0.00 O ATOM 1112 CB ASN A 70 7.293 1.746 -2.351 1.00 0.00 C ATOM 1113 CG ASN A 70 8.164 1.637 -3.601 1.00 0.00 C ATOM 1114 OD1 ASN A 70 9.278 2.128 -3.615 1.00 0.00 O ATOM 1115 ND2 ASN A 70 7.680 0.953 -4.634 1.00 0.00 N ATOM 0 H ASN A 70 6.346 3.979 -3.039 1.00 0.00 H new ATOM 0 HA ASN A 70 5.458 1.238 -3.380 1.00 0.00 H new ATOM 0 HB2 ASN A 70 7.662 2.563 -1.731 1.00 0.00 H new ATOM 0 HB3 ASN A 70 7.395 0.832 -1.766 1.00 0.00 H new ATOM 0 HD21 ASN A 70 8.247 0.826 -5.472 1.00 0.00 H new ATOM 0 HD22 ASN A 70 6.742 0.555 -4.588 1.00 0.00 H new ATOM 1122 N VAL A 71 4.349 0.626 -1.221 1.00 0.00 N ATOM 1123 CA VAL A 71 3.529 0.280 -0.043 1.00 0.00 C ATOM 1124 C VAL A 71 4.052 -1.030 0.594 1.00 0.00 C ATOM 1125 O VAL A 71 4.347 -1.989 -0.125 1.00 0.00 O ATOM 1126 CB VAL A 71 2.019 0.088 -0.476 1.00 0.00 C ATOM 1127 CG1 VAL A 71 1.085 -0.097 0.732 1.00 0.00 C ATOM 1128 CG2 VAL A 71 1.528 1.249 -1.372 1.00 0.00 C ATOM 0 H VAL A 71 4.414 -0.128 -1.904 1.00 0.00 H new ATOM 0 HA VAL A 71 3.596 1.089 0.685 1.00 0.00 H new ATOM 0 HB VAL A 71 1.983 -0.830 -1.062 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.060 -0.225 0.383 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.389 -0.979 1.295 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.143 0.782 1.374 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.487 1.080 -1.648 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.611 2.189 -0.827 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.139 1.297 -2.273 1.00 0.00 H new ATOM 1138 N ARG A 72 4.176 -1.059 1.939 1.00 0.00 N ATOM 1139 CA ARG A 72 4.404 -2.315 2.689 1.00 0.00 C ATOM 1140 C ARG A 72 3.040 -2.961 2.892 1.00 0.00 C ATOM 1141 O ARG A 72 2.200 -2.398 3.596 1.00 0.00 O ATOM 1142 CB ARG A 72 5.078 -2.099 4.091 1.00 0.00 C ATOM 1143 CG ARG A 72 6.623 -2.125 4.141 1.00 0.00 C ATOM 1144 CD ARG A 72 7.236 -3.387 3.498 1.00 0.00 C ATOM 1145 NE ARG A 72 8.609 -3.660 3.970 1.00 0.00 N ATOM 1146 CZ ARG A 72 9.721 -2.958 3.674 1.00 0.00 C ATOM 1147 NH1 ARG A 72 9.682 -1.875 2.906 1.00 0.00 N ATOM 1148 NH2 ARG A 72 10.885 -3.366 4.156 1.00 0.00 N ATOM 0 H ARG A 72 4.122 -0.228 2.528 1.00 0.00 H new ATOM 0 HA ARG A 72 5.091 -2.936 2.114 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.743 -1.139 4.483 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.705 -2.867 4.768 1.00 0.00 H new ATOM 0 HG2 ARG A 72 7.010 -1.242 3.632 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.947 -2.062 5.180 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.603 -4.246 3.719 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.246 -3.269 2.414 1.00 0.00 H new ATOM 0 HE ARG A 72 8.728 -4.465 4.585 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.793 -1.554 2.522 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.541 -1.365 2.700 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.930 -4.200 4.742 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.736 -2.846 3.942 1.00 0.00 H new ATOM 1162 N VAL A 73 2.818 -4.125 2.293 1.00 0.00 N ATOM 1163 CA VAL A 73 1.536 -4.819 2.432 1.00 0.00 C ATOM 1164 C VAL A 73 1.549 -5.543 3.785 1.00 0.00 C ATOM 1165 O VAL A 73 2.152 -6.603 3.931 1.00 0.00 O ATOM 1166 CB VAL A 73 1.286 -5.810 1.240 1.00 0.00 C ATOM 1167 CG1 VAL A 73 -0.101 -6.479 1.328 1.00 0.00 C ATOM 1168 CG2 VAL A 73 1.459 -5.073 -0.101 1.00 0.00 C ATOM 0 H VAL A 73 3.501 -4.608 1.710 1.00 0.00 H new ATOM 0 HA VAL A 73 0.713 -4.105 2.401 1.00 0.00 H new ATOM 0 HB VAL A 73 2.026 -6.607 1.304 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.232 -7.156 0.484 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.176 -7.041 2.259 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.876 -5.713 1.303 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.284 -5.767 -0.923 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.744 -4.253 -0.160 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.472 -4.677 -0.170 1.00 0.00 H new ATOM 1178 N THR A 74 0.959 -4.887 4.790 1.00 0.00 N ATOM 1179 CA THR A 74 0.831 -5.418 6.152 1.00 0.00 C ATOM 1180 C THR A 74 -0.318 -6.436 6.238 1.00 0.00 C ATOM 1181 O THR A 74 -0.353 -7.285 7.135 1.00 0.00 O ATOM 1182 CB THR A 74 0.595 -4.236 7.144 1.00 0.00 C ATOM 1183 OG1 THR A 74 -0.461 -3.394 6.647 1.00 0.00 O ATOM 1184 CG2 THR A 74 1.869 -3.387 7.337 1.00 0.00 C ATOM 0 H THR A 74 0.551 -3.959 4.679 1.00 0.00 H new ATOM 0 HA THR A 74 1.751 -5.936 6.421 1.00 0.00 H new ATOM 0 HB THR A 74 0.321 -4.662 8.109 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.610 -2.653 7.271 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.663 -2.575 8.034 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.667 -4.014 7.735 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.178 -2.972 6.378 1.00 0.00 H new ATOM 1192 N SER A 75 -1.250 -6.330 5.286 1.00 0.00 N ATOM 1193 CA SER A 75 -2.377 -7.246 5.144 1.00 0.00 C ATOM 1194 C SER A 75 -2.064 -8.346 4.112 1.00 0.00 C ATOM 1195 O SER A 75 -0.916 -8.521 3.698 1.00 0.00 O ATOM 1196 CB SER A 75 -3.609 -6.434 4.724 1.00 0.00 C ATOM 1197 OG SER A 75 -3.917 -5.438 5.684 1.00 0.00 O ATOM 0 H SER A 75 -1.239 -5.592 4.582 1.00 0.00 H new ATOM 0 HA SER A 75 -2.571 -7.743 6.094 1.00 0.00 H new ATOM 0 HB2 SER A 75 -3.427 -5.966 3.756 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.463 -7.101 4.601 1.00 0.00 H new ATOM 0 HG SER A 75 -4.793 -5.626 6.081 1.00 0.00 H new ATOM 1203 N ARG A 76 -3.095 -9.112 3.726 1.00 0.00 N ATOM 1204 CA ARG A 76 -3.000 -10.112 2.651 1.00 0.00 C ATOM 1205 C ARG A 76 -3.768 -9.611 1.405 1.00 0.00 C ATOM 1206 O ARG A 76 -4.658 -8.757 1.535 1.00 0.00 O ATOM 1207 CB ARG A 76 -3.553 -11.464 3.155 1.00 0.00 C ATOM 1208 CG ARG A 76 -2.710 -12.100 4.276 1.00 0.00 C ATOM 1209 CD ARG A 76 -3.196 -13.501 4.673 1.00 0.00 C ATOM 1210 NE ARG A 76 -2.266 -14.155 5.611 1.00 0.00 N ATOM 1211 CZ ARG A 76 -2.308 -15.449 5.971 1.00 0.00 C ATOM 1212 NH1 ARG A 76 -3.244 -16.262 5.495 1.00 0.00 N ATOM 1213 NH2 ARG A 76 -1.395 -15.924 6.807 1.00 0.00 N ATOM 0 H ARG A 76 -4.020 -9.056 4.151 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.958 -10.258 2.366 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.571 -11.318 3.517 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -3.609 -12.158 2.317 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -1.671 -12.161 3.952 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.733 -11.452 5.152 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -4.183 -13.428 5.130 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.304 -14.116 3.779 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.531 -13.578 6.020 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.946 -15.907 4.846 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -3.261 -17.242 5.779 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.668 -15.308 7.172 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -1.420 -16.905 7.085 1.00 0.00 H new ATOM 1227 N PRO A 77 -3.426 -10.107 0.173 1.00 0.00 N ATOM 1228 CA PRO A 77 -4.132 -9.704 -1.057 1.00 0.00 C ATOM 1229 C PRO A 77 -5.560 -10.297 -1.125 1.00 0.00 C ATOM 1230 O PRO A 77 -5.760 -11.479 -0.849 1.00 0.00 O ATOM 1231 CB PRO A 77 -3.219 -10.238 -2.188 1.00 0.00 C ATOM 1232 CG PRO A 77 -2.533 -11.419 -1.581 1.00 0.00 C ATOM 1233 CD PRO A 77 -2.324 -11.067 -0.121 1.00 0.00 C ATOM 0 HA PRO A 77 -4.289 -8.627 -1.121 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.798 -10.522 -3.066 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.502 -9.483 -2.510 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -3.139 -12.319 -1.684 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -1.582 -11.617 -2.076 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -2.382 -11.950 0.516 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.346 -10.617 0.046 1.00 0.00 H new ATOM 1241 N GLY A 78 -6.553 -9.440 -1.443 1.00 0.00 N ATOM 1242 CA GLY A 78 -7.942 -9.871 -1.657 1.00 0.00 C ATOM 1243 C GLY A 78 -8.682 -10.260 -0.383 1.00 0.00 C ATOM 1244 O GLY A 78 -9.775 -10.838 -0.463 1.00 0.00 O ATOM 0 H GLY A 78 -6.411 -8.436 -1.557 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -8.488 -9.066 -2.149 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -7.945 -10.721 -2.339 1.00 0.00 H new ATOM 1248 N GLN A 79 -8.101 -9.928 0.791 1.00 0.00 N ATOM 1249 CA GLN A 79 -8.737 -10.208 2.085 1.00 0.00 C ATOM 1250 C GLN A 79 -9.887 -9.218 2.293 1.00 0.00 C ATOM 1251 O GLN A 79 -9.741 -8.032 1.974 1.00 0.00 O ATOM 1252 CB GLN A 79 -7.735 -10.127 3.263 1.00 0.00 C ATOM 1253 CG GLN A 79 -7.197 -8.715 3.603 1.00 0.00 C ATOM 1254 CD GLN A 79 -6.469 -8.638 4.946 1.00 0.00 C ATOM 1255 OE1 GLN A 79 -5.761 -9.700 5.332 1.00 0.00 O flip ATOM 1256 NE2 GLN A 79 -6.511 -7.611 5.621 1.00 0.00 N flip ATOM 0 H GLN A 79 -7.194 -9.467 0.863 1.00 0.00 H new ATOM 0 HA GLN A 79 -9.115 -11.230 2.067 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -8.217 -10.534 4.152 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.886 -10.772 3.037 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.517 -8.396 2.813 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.030 -8.011 3.611 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -7.061 -6.813 5.302 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -5.996 -7.557 6.500 1.00 0.00 H new ATOM 1265 N ASP A 80 -11.057 -9.733 2.731 1.00 0.00 N ATOM 1266 CA ASP A 80 -12.279 -8.918 2.968 1.00 0.00 C ATOM 1267 C ASP A 80 -12.870 -8.364 1.629 1.00 0.00 C ATOM 1268 O ASP A 80 -13.949 -7.772 1.617 1.00 0.00 O ATOM 1269 CB ASP A 80 -11.965 -7.790 4.007 1.00 0.00 C ATOM 1270 CG ASP A 80 -13.170 -6.949 4.446 1.00 0.00 C ATOM 1271 OD1 ASP A 80 -13.995 -7.434 5.254 1.00 0.00 O ATOM 1272 OD2 ASP A 80 -13.297 -5.794 4.001 1.00 0.00 O ATOM 0 H ASP A 80 -11.185 -10.725 2.931 1.00 0.00 H new ATOM 0 HA ASP A 80 -13.056 -9.554 3.392 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -11.520 -8.247 4.891 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -11.215 -7.125 3.580 1.00 0.00 H new ATOM 1277 N GLY A 81 -12.175 -8.624 0.495 1.00 0.00 N ATOM 1278 CA GLY A 81 -12.593 -8.172 -0.827 1.00 0.00 C ATOM 1279 C GLY A 81 -11.558 -7.308 -1.535 1.00 0.00 C ATOM 1280 O GLY A 81 -11.686 -7.081 -2.741 1.00 0.00 O ATOM 0 H GLY A 81 -11.306 -9.157 0.487 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -12.812 -9.042 -1.446 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -13.520 -7.607 -0.732 1.00 0.00 H new ATOM 1284 N VAL A 82 -10.532 -6.812 -0.813 1.00 0.00 N ATOM 1285 CA VAL A 82 -9.487 -5.942 -1.413 1.00 0.00 C ATOM 1286 C VAL A 82 -8.116 -6.136 -0.709 1.00 0.00 C ATOM 1287 O VAL A 82 -8.043 -6.707 0.380 1.00 0.00 O ATOM 1288 CB VAL A 82 -9.954 -4.429 -1.359 1.00 0.00 C ATOM 1289 CG1 VAL A 82 -10.060 -3.913 0.091 1.00 0.00 C ATOM 1290 CG2 VAL A 82 -9.071 -3.495 -2.223 1.00 0.00 C ATOM 0 H VAL A 82 -10.401 -6.995 0.182 1.00 0.00 H new ATOM 0 HA VAL A 82 -9.352 -6.228 -2.456 1.00 0.00 H new ATOM 0 HB VAL A 82 -10.953 -4.407 -1.795 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -10.383 -2.872 0.084 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -10.785 -4.514 0.639 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -9.087 -3.988 0.576 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -9.440 -2.472 -2.146 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -8.041 -3.537 -1.868 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -9.110 -3.817 -3.264 1.00 0.00 H new ATOM 1300 N ILE A 83 -7.032 -5.672 -1.354 1.00 0.00 N ATOM 1301 CA ILE A 83 -5.672 -5.687 -0.778 1.00 0.00 C ATOM 1302 C ILE A 83 -5.510 -4.442 0.109 1.00 0.00 C ATOM 1303 O ILE A 83 -6.156 -3.425 -0.148 1.00 0.00 O ATOM 1304 CB ILE A 83 -4.577 -5.701 -1.914 1.00 0.00 C ATOM 1305 CG1 ILE A 83 -4.962 -6.750 -3.008 1.00 0.00 C ATOM 1306 CG2 ILE A 83 -3.160 -5.973 -1.340 1.00 0.00 C ATOM 1307 CD1 ILE A 83 -3.938 -6.969 -4.092 1.00 0.00 C ATOM 0 H ILE A 83 -7.072 -5.274 -2.292 1.00 0.00 H new ATOM 0 HA ILE A 83 -5.537 -6.591 -0.184 1.00 0.00 H new ATOM 0 HB ILE A 83 -4.544 -4.713 -2.374 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -5.155 -7.704 -2.518 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.896 -6.436 -3.474 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -2.433 -5.975 -2.152 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.902 -5.193 -0.624 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.149 -6.942 -0.841 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -4.307 -7.715 -4.796 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -3.759 -6.031 -4.618 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -3.007 -7.320 -3.647 1.00 0.00 H new ATOM 1319 N ASN A 84 -4.694 -4.527 1.173 1.00 0.00 N ATOM 1320 CA ASN A 84 -4.483 -3.401 2.115 1.00 0.00 C ATOM 1321 C ASN A 84 -2.995 -3.323 2.528 1.00 0.00 C ATOM 1322 O ASN A 84 -2.296 -4.343 2.518 1.00 0.00 O ATOM 1323 CB ASN A 84 -5.384 -3.572 3.371 1.00 0.00 C ATOM 1324 CG ASN A 84 -6.892 -3.665 3.084 1.00 0.00 C ATOM 1325 OD1 ASN A 84 -7.600 -2.658 3.074 1.00 0.00 O ATOM 1326 ND2 ASN A 84 -7.387 -4.874 2.854 1.00 0.00 N ATOM 0 H ASN A 84 -4.164 -5.366 1.408 1.00 0.00 H new ATOM 0 HA ASN A 84 -4.756 -2.471 1.616 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -5.075 -4.473 3.901 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -5.209 -2.731 4.042 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -8.382 -4.990 2.661 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -6.773 -5.688 2.870 1.00 0.00 H new ATOM 1333 N GLY A 85 -2.524 -2.114 2.889 1.00 0.00 N ATOM 1334 CA GLY A 85 -1.130 -1.911 3.313 1.00 0.00 C ATOM 1335 C GLY A 85 -0.875 -0.514 3.888 1.00 0.00 C ATOM 1336 O GLY A 85 -1.821 0.235 4.125 1.00 0.00 O ATOM 0 H GLY A 85 -3.090 -1.265 2.895 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.872 -2.659 4.063 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.470 -2.073 2.461 1.00 0.00 H new ATOM 1340 N VAL A 86 0.413 -0.171 4.115 1.00 0.00 N ATOM 1341 CA VAL A 86 0.843 1.150 4.651 1.00 0.00 C ATOM 1342 C VAL A 86 1.897 1.806 3.726 1.00 0.00 C ATOM 1343 O VAL A 86 2.816 1.125 3.260 1.00 0.00 O ATOM 1344 CB VAL A 86 1.408 1.040 6.125 1.00 0.00 C ATOM 1345 CG1 VAL A 86 0.297 0.670 7.140 1.00 0.00 C ATOM 1346 CG2 VAL A 86 2.580 0.034 6.206 1.00 0.00 C ATOM 0 H VAL A 86 1.192 -0.804 3.932 1.00 0.00 H new ATOM 0 HA VAL A 86 -0.045 1.782 4.682 1.00 0.00 H new ATOM 0 HB VAL A 86 1.788 2.025 6.394 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.725 0.604 8.140 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.478 1.436 7.127 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.139 -0.291 6.868 1.00 0.00 H new ATOM 0 HG21 VAL A 86 2.945 -0.018 7.232 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.236 -0.952 5.893 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.387 0.362 5.550 1.00 0.00 H new ATOM 1356 N LEU A 87 1.767 3.130 3.464 1.00 0.00 N ATOM 1357 CA LEU A 87 2.642 3.837 2.497 1.00 0.00 C ATOM 1358 C LEU A 87 4.079 4.021 3.055 1.00 0.00 C ATOM 1359 O LEU A 87 4.268 4.544 4.157 1.00 0.00 O ATOM 1360 CB LEU A 87 2.032 5.213 2.099 1.00 0.00 C ATOM 1361 CG LEU A 87 2.677 5.933 0.854 1.00 0.00 C ATOM 1362 CD1 LEU A 87 2.674 5.032 -0.404 1.00 0.00 C ATOM 1363 CD2 LEU A 87 1.956 7.265 0.541 1.00 0.00 C ATOM 0 H LEU A 87 1.068 3.727 3.907 1.00 0.00 H new ATOM 0 HA LEU A 87 2.708 3.216 1.604 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.970 5.071 1.899 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.108 5.881 2.957 1.00 0.00 H new ATOM 0 HG LEU A 87 3.713 6.143 1.120 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.128 5.569 -1.237 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.244 4.125 -0.203 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.648 4.767 -0.659 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.424 7.738 -0.323 1.00 0.00 H new ATOM 0 HD22 LEU A 87 0.906 7.068 0.323 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.029 7.929 1.402 1.00 0.00 H new ATOM 1375 N ILE A 88 5.071 3.581 2.262 1.00 0.00 N ATOM 1376 CA ILE A 88 6.518 3.705 2.568 1.00 0.00 C ATOM 1377 C ILE A 88 7.202 4.559 1.482 1.00 0.00 C ATOM 1378 O ILE A 88 6.593 4.873 0.448 1.00 0.00 O ATOM 1379 CB ILE A 88 7.204 2.292 2.669 1.00 0.00 C ATOM 1380 CG1 ILE A 88 6.950 1.488 1.358 1.00 0.00 C ATOM 1381 CG2 ILE A 88 6.714 1.520 3.912 1.00 0.00 C ATOM 1382 CD1 ILE A 88 7.344 0.026 1.365 1.00 0.00 C ATOM 0 H ILE A 88 4.892 3.119 1.371 1.00 0.00 H new ATOM 0 HA ILE A 88 6.627 4.194 3.536 1.00 0.00 H new ATOM 0 HB ILE A 88 8.279 2.431 2.786 1.00 0.00 H new ATOM 0 HG12 ILE A 88 5.888 1.552 1.121 1.00 0.00 H new ATOM 0 HG13 ILE A 88 7.488 1.981 0.548 1.00 0.00 H new ATOM 0 HG21 ILE A 88 7.206 0.548 3.954 1.00 0.00 H new ATOM 0 HG22 ILE A 88 6.955 2.088 4.811 1.00 0.00 H new ATOM 0 HG23 ILE A 88 5.635 1.378 3.850 1.00 0.00 H new ATOM 0 HD11 ILE A 88 7.116 -0.417 0.396 1.00 0.00 H new ATOM 0 HD12 ILE A 88 8.413 -0.062 1.561 1.00 0.00 H new ATOM 0 HD13 ILE A 88 6.788 -0.497 2.143 1.00 0.00 H new ATOM 1394 N ARG A 89 8.478 4.936 1.718 1.00 0.00 N ATOM 1395 CA ARG A 89 9.189 5.936 0.879 1.00 0.00 C ATOM 1396 C ARG A 89 10.432 5.297 0.207 1.00 0.00 C ATOM 1397 O ARG A 89 11.317 6.029 -0.245 1.00 0.00 O ATOM 1398 CB ARG A 89 9.638 7.168 1.756 1.00 0.00 C ATOM 1399 CG ARG A 89 8.712 7.526 2.940 1.00 0.00 C ATOM 1400 CD ARG A 89 7.287 7.947 2.534 1.00 0.00 C ATOM 1401 NE ARG A 89 6.386 7.936 3.705 1.00 0.00 N ATOM 1402 CZ ARG A 89 5.042 8.035 3.658 1.00 0.00 C ATOM 1403 NH1 ARG A 89 4.416 8.232 2.509 1.00 0.00 N ATOM 1404 NH2 ARG A 89 4.329 7.960 4.769 1.00 0.00 N ATOM 0 H ARG A 89 9.041 4.564 2.483 1.00 0.00 H new ATOM 0 HA ARG A 89 8.503 6.279 0.104 1.00 0.00 H new ATOM 0 HB2 ARG A 89 10.635 6.967 2.148 1.00 0.00 H new ATOM 0 HB3 ARG A 89 9.720 8.040 1.108 1.00 0.00 H new ATOM 0 HG2 ARG A 89 8.647 6.666 3.606 1.00 0.00 H new ATOM 0 HG3 ARG A 89 9.168 8.336 3.509 1.00 0.00 H new ATOM 0 HD2 ARG A 89 7.308 8.944 2.095 1.00 0.00 H new ATOM 0 HD3 ARG A 89 6.906 7.270 1.769 1.00 0.00 H new ATOM 0 HE ARG A 89 6.816 7.846 4.625 1.00 0.00 H new ATOM 0 HH11 ARG A 89 4.951 8.311 1.644 1.00 0.00 H new ATOM 0 HH12 ARG A 89 3.399 8.305 2.488 1.00 0.00 H new ATOM 0 HH21 ARG A 89 4.795 7.827 5.666 1.00 0.00 H new ATOM 0 HH22 ARG A 89 3.313 8.035 4.729 1.00 0.00 H new ATOM 1418 N GLU A 90 10.447 3.939 0.122 1.00 0.00 N ATOM 1419 CA GLU A 90 11.664 3.124 -0.185 1.00 0.00 C ATOM 1420 C GLU A 90 12.433 3.599 -1.430 1.00 0.00 C ATOM 1421 O GLU A 90 13.493 4.225 -1.303 1.00 0.00 O ATOM 1422 CB GLU A 90 11.289 1.620 -0.338 1.00 0.00 C ATOM 1423 CG GLU A 90 10.585 0.998 0.873 1.00 0.00 C ATOM 1424 CD GLU A 90 11.397 1.017 2.180 1.00 0.00 C ATOM 1425 OE1 GLU A 90 11.327 2.015 2.922 1.00 0.00 O ATOM 1426 OE2 GLU A 90 12.090 0.019 2.473 1.00 0.00 O ATOM 0 H GLU A 90 9.611 3.372 0.265 1.00 0.00 H new ATOM 0 HA GLU A 90 12.334 3.260 0.664 1.00 0.00 H new ATOM 0 HB2 GLU A 90 10.644 1.509 -1.210 1.00 0.00 H new ATOM 0 HB3 GLU A 90 12.198 1.054 -0.540 1.00 0.00 H new ATOM 0 HG2 GLU A 90 9.646 1.526 1.039 1.00 0.00 H new ATOM 0 HG3 GLU A 90 10.332 -0.035 0.636 1.00 0.00 H new ATOM 1433 N LEU A 91 11.900 3.295 -2.625 1.00 0.00 N ATOM 1434 CA LEU A 91 12.542 3.667 -3.885 1.00 0.00 C ATOM 1435 C LEU A 91 12.272 5.152 -4.144 1.00 0.00 C ATOM 1436 O LEU A 91 11.187 5.511 -4.625 1.00 0.00 O ATOM 1437 CB LEU A 91 12.035 2.778 -5.059 1.00 0.00 C ATOM 1438 CG LEU A 91 12.118 1.233 -4.836 1.00 0.00 C ATOM 1439 CD1 LEU A 91 11.629 0.453 -6.077 1.00 0.00 C ATOM 1440 CD2 LEU A 91 13.534 0.786 -4.415 1.00 0.00 C ATOM 0 H LEU A 91 11.021 2.790 -2.739 1.00 0.00 H new ATOM 0 HA LEU A 91 13.617 3.502 -3.815 1.00 0.00 H new ATOM 0 HB2 LEU A 91 10.997 3.040 -5.264 1.00 0.00 H new ATOM 0 HB3 LEU A 91 12.609 3.027 -5.951 1.00 0.00 H new ATOM 0 HG LEU A 91 11.446 0.995 -4.011 1.00 0.00 H new ATOM 0 HD11 LEU A 91 11.701 -0.618 -5.886 1.00 0.00 H new ATOM 0 HD12 LEU A 91 10.592 0.715 -6.286 1.00 0.00 H new ATOM 0 HD13 LEU A 91 12.249 0.710 -6.936 1.00 0.00 H new ATOM 0 HD21 LEU A 91 13.547 -0.294 -4.271 1.00 0.00 H new ATOM 0 HD22 LEU A 91 14.247 1.056 -5.193 1.00 0.00 H new ATOM 0 HD23 LEU A 91 13.809 1.280 -3.483 1.00 0.00 H new