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 26 ASN : amide:sc= -0.306 K(o=-0.72,f=-1.5) USER MOD Set 1.2: A 84 ASN : amide:sc= -0.418 K(o=-0.72,f=-5.3!) USER MOD Single : A 23 THR OG1 : rot 40:sc= 0.14 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0611 USER MOD Single : A 34 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0482) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.0741 USER MOD Single : A 66 THR OG1 : rot -63:sc= 1.18 USER MOD Single : A 67 ASN : amide:sc= -0.76 X(o=-0.76,f=-0.77) USER MOD Single : A 70 ASN :FLIP amide:sc= -0.171 F(o=-0.97,f=-0.17) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.0235 USER MOD Single : A 75 SER OG : rot 180:sc= -0.576 USER MOD Single : A 79 GLN : amide:sc= -0.0321 X(o=-0.032,f=-0.032) USER MOD ----------------------------------------------------------------- ATOM 366 N THR A 23 -4.559 -4.622 -9.479 1.00 0.00 N ATOM 367 CA THR A 23 -4.767 -4.933 -8.067 1.00 0.00 C ATOM 368 C THR A 23 -5.021 -3.650 -7.260 1.00 0.00 C ATOM 369 O THR A 23 -4.291 -2.670 -7.398 1.00 0.00 O ATOM 370 CB THR A 23 -3.546 -5.708 -7.480 1.00 0.00 C ATOM 371 OG1 THR A 23 -3.241 -6.840 -8.320 1.00 0.00 O ATOM 372 CG2 THR A 23 -3.815 -6.203 -6.048 1.00 0.00 C ATOM 0 HA THR A 23 -5.647 -5.572 -7.991 1.00 0.00 H new ATOM 0 HB THR A 23 -2.703 -5.018 -7.448 1.00 0.00 H new ATOM 0 HG1 THR A 23 -3.333 -6.583 -9.261 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.940 -6.737 -5.677 1.00 0.00 H new ATOM 0 HG22 THR A 23 -4.021 -5.350 -5.401 1.00 0.00 H new ATOM 0 HG23 THR A 23 -4.675 -6.873 -6.050 1.00 0.00 H new ATOM 380 N ARG A 24 -6.058 -3.682 -6.420 1.00 0.00 N ATOM 381 CA ARG A 24 -6.466 -2.547 -5.589 1.00 0.00 C ATOM 382 C ARG A 24 -5.978 -2.788 -4.161 1.00 0.00 C ATOM 383 O ARG A 24 -6.116 -3.899 -3.628 1.00 0.00 O ATOM 384 CB ARG A 24 -8.001 -2.361 -5.619 1.00 0.00 C ATOM 385 CG ARG A 24 -8.575 -1.909 -6.981 1.00 0.00 C ATOM 386 CD ARG A 24 -8.086 -0.517 -7.418 1.00 0.00 C ATOM 387 NE ARG A 24 -8.853 0.004 -8.569 1.00 0.00 N ATOM 388 CZ ARG A 24 -8.699 -0.371 -9.854 1.00 0.00 C ATOM 389 NH1 ARG A 24 -7.848 -1.325 -10.192 1.00 0.00 N ATOM 390 NH2 ARG A 24 -9.413 0.210 -10.804 1.00 0.00 N ATOM 0 H ARG A 24 -6.645 -4.507 -6.296 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.021 -1.632 -5.981 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -8.472 -3.303 -5.337 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.278 -1.627 -4.863 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.300 -2.638 -7.743 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.663 -1.902 -6.924 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.172 0.176 -6.581 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -7.029 -0.570 -7.681 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.562 0.710 -8.373 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -7.293 -1.792 -9.474 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -7.746 -1.594 -11.171 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -10.081 0.943 -10.564 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -9.296 -0.075 -11.776 1.00 0.00 H new ATOM 404 N ILE A 25 -5.401 -1.743 -3.564 1.00 0.00 N ATOM 405 CA ILE A 25 -4.791 -1.798 -2.235 1.00 0.00 C ATOM 406 C ILE A 25 -5.119 -0.511 -1.459 1.00 0.00 C ATOM 407 O ILE A 25 -5.051 0.590 -2.017 1.00 0.00 O ATOM 408 CB ILE A 25 -3.232 -2.011 -2.345 1.00 0.00 C ATOM 409 CG1 ILE A 25 -2.536 -2.055 -0.939 1.00 0.00 C ATOM 410 CG2 ILE A 25 -2.593 -0.933 -3.261 1.00 0.00 C ATOM 411 CD1 ILE A 25 -1.053 -2.411 -0.969 1.00 0.00 C ATOM 0 H ILE A 25 -5.344 -0.821 -3.997 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.203 -2.648 -1.691 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.070 -2.987 -2.802 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -2.652 -1.082 -0.462 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.057 -2.781 -0.314 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.517 -1.099 -3.323 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -3.028 -0.999 -4.258 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.784 0.057 -2.846 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.660 -2.417 0.047 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -0.925 -3.398 -1.413 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.514 -1.673 -1.563 1.00 0.00 H new ATOM 423 N ASN A 26 -5.486 -0.660 -0.178 1.00 0.00 N ATOM 424 CA ASN A 26 -5.777 0.478 0.699 1.00 0.00 C ATOM 425 C ASN A 26 -4.462 0.952 1.293 1.00 0.00 C ATOM 426 O ASN A 26 -3.942 0.352 2.234 1.00 0.00 O ATOM 427 CB ASN A 26 -6.763 0.068 1.816 1.00 0.00 C ATOM 428 CG ASN A 26 -8.144 -0.305 1.288 1.00 0.00 C ATOM 429 OD1 ASN A 26 -9.052 0.525 1.255 1.00 0.00 O ATOM 430 ND2 ASN A 26 -8.311 -1.552 0.864 1.00 0.00 N ATOM 0 H ASN A 26 -5.588 -1.568 0.275 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.246 1.281 0.131 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.350 -0.778 2.365 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -6.862 0.890 2.525 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -9.215 -1.849 0.496 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -7.536 -2.213 0.906 1.00 0.00 H new ATOM 437 N VAL A 27 -3.928 2.025 0.720 1.00 0.00 N ATOM 438 CA VAL A 27 -2.636 2.585 1.094 1.00 0.00 C ATOM 439 C VAL A 27 -2.851 3.575 2.248 1.00 0.00 C ATOM 440 O VAL A 27 -3.444 4.640 2.055 1.00 0.00 O ATOM 441 CB VAL A 27 -1.966 3.303 -0.136 1.00 0.00 C ATOM 442 CG1 VAL A 27 -0.603 3.930 0.239 1.00 0.00 C ATOM 443 CG2 VAL A 27 -1.827 2.330 -1.335 1.00 0.00 C ATOM 0 H VAL A 27 -4.390 2.539 -0.031 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.966 1.787 1.413 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.622 4.119 -0.438 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.173 4.416 -0.637 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.747 4.667 1.029 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.072 3.150 0.589 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.361 2.849 -2.173 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.208 1.481 -1.045 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.814 1.975 -1.632 1.00 0.00 H new ATOM 453 N VAL A 28 -2.413 3.171 3.443 1.00 0.00 N ATOM 454 CA VAL A 28 -2.539 3.969 4.665 1.00 0.00 C ATOM 455 C VAL A 28 -1.230 4.737 4.871 1.00 0.00 C ATOM 456 O VAL A 28 -0.215 4.150 5.261 1.00 0.00 O ATOM 457 CB VAL A 28 -2.831 3.053 5.922 1.00 0.00 C ATOM 458 CG1 VAL A 28 -3.081 3.892 7.197 1.00 0.00 C ATOM 459 CG2 VAL A 28 -4.012 2.093 5.646 1.00 0.00 C ATOM 0 H VAL A 28 -1.956 2.271 3.591 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.377 4.658 4.560 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.940 2.451 6.100 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.278 3.227 8.038 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.201 4.498 7.412 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.941 4.543 7.041 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.192 1.475 6.526 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.907 2.673 5.421 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.771 1.454 4.797 1.00 0.00 H new ATOM 469 N ASP A 29 -1.248 6.028 4.522 1.00 0.00 N ATOM 470 CA ASP A 29 -0.105 6.928 4.735 1.00 0.00 C ATOM 471 C ASP A 29 0.139 7.053 6.260 1.00 0.00 C ATOM 472 O ASP A 29 -0.733 7.551 6.961 1.00 0.00 O ATOM 473 CB ASP A 29 -0.385 8.321 4.100 1.00 0.00 C ATOM 474 CG ASP A 29 0.855 9.238 4.051 1.00 0.00 C ATOM 475 OD1 ASP A 29 1.349 9.655 5.121 1.00 0.00 O ATOM 476 OD2 ASP A 29 1.345 9.555 2.941 1.00 0.00 O ATOM 0 H ASP A 29 -2.052 6.479 4.085 1.00 0.00 H new ATOM 0 HA ASP A 29 0.786 6.523 4.255 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -0.763 8.180 3.087 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -1.172 8.818 4.667 1.00 0.00 H new ATOM 481 N PRO A 30 1.316 6.600 6.789 1.00 0.00 N ATOM 482 CA PRO A 30 1.573 6.512 8.257 1.00 0.00 C ATOM 483 C PRO A 30 1.752 7.894 8.928 1.00 0.00 C ATOM 484 O PRO A 30 1.593 8.033 10.148 1.00 0.00 O ATOM 485 CB PRO A 30 2.879 5.672 8.321 1.00 0.00 C ATOM 486 CG PRO A 30 3.594 6.021 7.051 1.00 0.00 C ATOM 487 CD PRO A 30 2.498 6.155 6.008 1.00 0.00 C ATOM 0 HA PRO A 30 0.736 6.072 8.800 1.00 0.00 H new ATOM 0 HB2 PRO A 30 3.475 5.926 9.198 1.00 0.00 H new ATOM 0 HB3 PRO A 30 2.665 4.605 8.379 1.00 0.00 H new ATOM 0 HG2 PRO A 30 4.155 6.950 7.156 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.309 5.246 6.775 1.00 0.00 H new ATOM 0 HD2 PRO A 30 2.765 6.880 5.239 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.310 5.208 5.502 1.00 0.00 H new ATOM 495 N GLU A 31 2.064 8.908 8.113 1.00 0.00 N ATOM 496 CA GLU A 31 2.449 10.245 8.591 1.00 0.00 C ATOM 497 C GLU A 31 1.221 11.168 8.682 1.00 0.00 C ATOM 498 O GLU A 31 0.952 11.757 9.731 1.00 0.00 O ATOM 499 CB GLU A 31 3.505 10.819 7.615 1.00 0.00 C ATOM 500 CG GLU A 31 4.759 9.935 7.473 1.00 0.00 C ATOM 501 CD GLU A 31 5.653 10.335 6.297 1.00 0.00 C ATOM 502 OE1 GLU A 31 6.471 11.267 6.440 1.00 0.00 O ATOM 503 OE2 GLU A 31 5.533 9.730 5.222 1.00 0.00 O ATOM 0 H GLU A 31 2.057 8.826 7.096 1.00 0.00 H new ATOM 0 HA GLU A 31 2.871 10.176 9.593 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.048 10.948 6.634 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.805 11.809 7.959 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.338 9.988 8.395 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.451 8.897 7.349 1.00 0.00 H new ATOM 510 N THR A 32 0.473 11.263 7.573 1.00 0.00 N ATOM 511 CA THR A 32 -0.710 12.135 7.464 1.00 0.00 C ATOM 512 C THR A 32 -2.000 11.391 7.871 1.00 0.00 C ATOM 513 O THR A 32 -2.970 12.012 8.330 1.00 0.00 O ATOM 514 CB THR A 32 -0.848 12.692 6.007 1.00 0.00 C ATOM 515 OG1 THR A 32 -1.043 11.610 5.079 1.00 0.00 O ATOM 516 CG2 THR A 32 0.389 13.506 5.582 1.00 0.00 C ATOM 0 H THR A 32 0.671 10.736 6.722 1.00 0.00 H new ATOM 0 HA THR A 32 -0.570 12.968 8.152 1.00 0.00 H new ATOM 0 HB THR A 32 -1.713 13.355 5.996 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.130 11.969 4.171 1.00 0.00 H new ATOM 0 HG21 THR A 32 0.251 13.873 4.565 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.519 14.351 6.259 1.00 0.00 H new ATOM 0 HG23 THR A 32 1.274 12.871 5.621 1.00 0.00 H new ATOM 524 N GLY A 33 -2.004 10.055 7.691 1.00 0.00 N ATOM 525 CA GLY A 33 -3.158 9.210 8.031 1.00 0.00 C ATOM 526 C GLY A 33 -4.133 9.026 6.876 1.00 0.00 C ATOM 527 O GLY A 33 -5.192 8.412 7.047 1.00 0.00 O ATOM 0 H GLY A 33 -1.212 9.538 7.309 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.801 8.232 8.354 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.686 9.652 8.876 1.00 0.00 H new ATOM 531 N LYS A 34 -3.776 9.561 5.693 1.00 0.00 N ATOM 532 CA LYS A 34 -4.622 9.493 4.484 1.00 0.00 C ATOM 533 C LYS A 34 -4.656 8.059 3.919 1.00 0.00 C ATOM 534 O LYS A 34 -3.618 7.512 3.565 1.00 0.00 O ATOM 535 CB LYS A 34 -4.129 10.518 3.404 1.00 0.00 C ATOM 536 CG LYS A 34 -4.650 11.972 3.579 1.00 0.00 C ATOM 537 CD LYS A 34 -4.421 12.554 4.995 1.00 0.00 C ATOM 538 CE LYS A 34 -4.853 14.023 5.134 1.00 0.00 C ATOM 539 NZ LYS A 34 -4.026 14.926 4.306 1.00 0.00 N ATOM 0 H LYS A 34 -2.894 10.052 5.547 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.640 9.764 4.763 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.039 10.537 3.416 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.431 10.158 2.421 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.158 12.614 2.849 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.717 11.995 3.356 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -4.970 11.952 5.719 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -3.364 12.469 5.247 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.899 14.122 4.844 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.782 14.324 6.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.271 15.914 4.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.020 14.766 4.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.204 14.734 3.299 1.00 0.00 H new ATOM 553 N VAL A 35 -5.860 7.457 3.872 1.00 0.00 N ATOM 554 CA VAL A 35 -6.081 6.109 3.307 1.00 0.00 C ATOM 555 C VAL A 35 -6.831 6.245 1.974 1.00 0.00 C ATOM 556 O VAL A 35 -7.802 7.016 1.883 1.00 0.00 O ATOM 557 CB VAL A 35 -6.907 5.190 4.292 1.00 0.00 C ATOM 558 CG1 VAL A 35 -6.998 3.730 3.780 1.00 0.00 C ATOM 559 CG2 VAL A 35 -6.316 5.244 5.720 1.00 0.00 C ATOM 0 H VAL A 35 -6.711 7.893 4.226 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.111 5.637 3.152 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.924 5.581 4.328 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.574 3.132 4.486 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.489 3.716 2.807 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.995 3.314 3.686 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.901 4.604 6.380 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.283 4.897 5.700 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.347 6.270 6.088 1.00 0.00 H new ATOM 569 N GLU A 36 -6.377 5.508 0.943 1.00 0.00 N ATOM 570 CA GLU A 36 -7.006 5.524 -0.390 1.00 0.00 C ATOM 571 C GLU A 36 -6.773 4.183 -1.108 1.00 0.00 C ATOM 572 O GLU A 36 -5.735 3.547 -0.920 1.00 0.00 O ATOM 573 CB GLU A 36 -6.432 6.691 -1.238 1.00 0.00 C ATOM 574 CG GLU A 36 -7.106 6.870 -2.611 1.00 0.00 C ATOM 575 CD GLU A 36 -6.461 7.964 -3.471 1.00 0.00 C ATOM 576 OE1 GLU A 36 -5.494 7.662 -4.208 1.00 0.00 O ATOM 577 OE2 GLU A 36 -6.928 9.122 -3.434 1.00 0.00 O ATOM 0 H GLU A 36 -5.569 4.889 1.010 1.00 0.00 H new ATOM 0 HA GLU A 36 -8.079 5.672 -0.267 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.533 7.618 -0.674 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -5.366 6.524 -1.389 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.068 5.924 -3.152 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.159 7.110 -2.462 1.00 0.00 H new ATOM 584 N ILE A 37 -7.737 3.779 -1.959 1.00 0.00 N ATOM 585 CA ILE A 37 -7.643 2.542 -2.747 1.00 0.00 C ATOM 586 C ILE A 37 -6.897 2.859 -4.066 1.00 0.00 C ATOM 587 O ILE A 37 -7.485 3.390 -5.015 1.00 0.00 O ATOM 588 CB ILE A 37 -9.068 1.924 -3.039 1.00 0.00 C ATOM 589 CG1 ILE A 37 -9.847 1.664 -1.705 1.00 0.00 C ATOM 590 CG2 ILE A 37 -8.946 0.625 -3.875 1.00 0.00 C ATOM 591 CD1 ILE A 37 -11.225 1.045 -1.879 1.00 0.00 C ATOM 0 H ILE A 37 -8.599 4.302 -2.116 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.092 1.795 -2.176 1.00 0.00 H new ATOM 0 HB ILE A 37 -9.637 2.646 -3.624 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -9.248 1.009 -1.073 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -9.954 2.610 -1.173 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -9.940 0.219 -4.063 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -8.460 0.848 -4.825 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -8.353 -0.106 -3.326 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -11.686 0.903 -0.902 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -11.848 1.707 -2.481 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -11.130 0.081 -2.379 1.00 0.00 H new ATOM 603 N ALA A 38 -5.591 2.555 -4.085 1.00 0.00 N ATOM 604 CA ALA A 38 -4.703 2.778 -5.241 1.00 0.00 C ATOM 605 C ALA A 38 -4.575 1.496 -6.082 1.00 0.00 C ATOM 606 O ALA A 38 -5.045 0.425 -5.682 1.00 0.00 O ATOM 607 CB ALA A 38 -3.323 3.270 -4.755 1.00 0.00 C ATOM 0 H ALA A 38 -5.112 2.140 -3.286 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.137 3.548 -5.879 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -2.672 3.433 -5.614 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.442 4.205 -4.207 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -2.879 2.520 -4.100 1.00 0.00 H new ATOM 613 N GLU A 39 -3.922 1.623 -7.249 1.00 0.00 N ATOM 614 CA GLU A 39 -3.646 0.490 -8.154 1.00 0.00 C ATOM 615 C GLU A 39 -2.153 0.183 -8.090 1.00 0.00 C ATOM 616 O GLU A 39 -1.333 1.106 -8.188 1.00 0.00 O ATOM 617 CB GLU A 39 -4.034 0.817 -9.615 1.00 0.00 C ATOM 618 CG GLU A 39 -5.509 1.178 -9.836 1.00 0.00 C ATOM 619 CD GLU A 39 -5.800 1.609 -11.281 1.00 0.00 C ATOM 620 OE1 GLU A 39 -5.365 2.713 -11.671 1.00 0.00 O ATOM 621 OE2 GLU A 39 -6.448 0.850 -12.040 1.00 0.00 O ATOM 0 H GLU A 39 -3.569 2.516 -7.594 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.241 -0.366 -7.835 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.418 1.647 -9.960 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.790 -0.042 -10.240 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.131 0.319 -9.584 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.788 1.984 -9.157 1.00 0.00 H new ATOM 628 N ILE A 40 -1.804 -1.096 -7.925 1.00 0.00 N ATOM 629 CA ILE A 40 -0.405 -1.537 -7.896 1.00 0.00 C ATOM 630 C ILE A 40 0.153 -1.526 -9.332 1.00 0.00 C ATOM 631 O ILE A 40 -0.296 -2.305 -10.178 1.00 0.00 O ATOM 632 CB ILE A 40 -0.264 -2.969 -7.242 1.00 0.00 C ATOM 633 CG1 ILE A 40 -0.822 -2.945 -5.778 1.00 0.00 C ATOM 634 CG2 ILE A 40 1.210 -3.465 -7.277 1.00 0.00 C ATOM 635 CD1 ILE A 40 -0.726 -4.256 -5.012 1.00 0.00 C ATOM 0 H ILE A 40 -2.479 -1.852 -7.808 1.00 0.00 H new ATOM 0 HA ILE A 40 0.172 -0.849 -7.278 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.853 -3.676 -7.826 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.287 -2.178 -5.218 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.868 -2.642 -5.813 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.273 -4.452 -6.820 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.550 -3.522 -8.311 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.841 -2.769 -6.725 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.141 -4.125 -4.013 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.287 -5.027 -5.539 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.319 -4.557 -4.935 1.00 0.00 H new ATOM 647 N ARG A 41 1.113 -0.613 -9.595 1.00 0.00 N ATOM 648 CA ARG A 41 1.762 -0.476 -10.913 1.00 0.00 C ATOM 649 C ARG A 41 2.720 -1.652 -11.134 1.00 0.00 C ATOM 650 O ARG A 41 2.663 -2.370 -12.140 1.00 0.00 O ATOM 651 CB ARG A 41 2.596 0.840 -11.000 1.00 0.00 C ATOM 652 CG ARG A 41 1.889 2.142 -10.576 1.00 0.00 C ATOM 653 CD ARG A 41 2.786 3.375 -10.835 1.00 0.00 C ATOM 654 NE ARG A 41 2.326 4.586 -10.135 1.00 0.00 N ATOM 655 CZ ARG A 41 1.904 5.714 -10.722 1.00 0.00 C ATOM 656 NH1 ARG A 41 1.658 5.757 -12.019 1.00 0.00 N ATOM 657 NH2 ARG A 41 1.690 6.798 -9.993 1.00 0.00 N ATOM 0 H ARG A 41 1.458 0.048 -8.899 1.00 0.00 H new ATOM 0 HA ARG A 41 0.977 -0.458 -11.669 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.485 0.720 -10.381 1.00 0.00 H new ATOM 0 HB3 ARG A 41 2.937 0.958 -12.029 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.954 2.247 -11.126 1.00 0.00 H new ATOM 0 HG3 ARG A 41 1.632 2.092 -9.518 1.00 0.00 H new ATOM 0 HD2 ARG A 41 3.805 3.147 -10.521 1.00 0.00 H new ATOM 0 HD3 ARG A 41 2.819 3.573 -11.906 1.00 0.00 H new ATOM 0 HE ARG A 41 2.329 4.564 -9.115 1.00 0.00 H new ATOM 0 HH11 ARG A 41 1.789 4.923 -12.591 1.00 0.00 H new ATOM 0 HH12 ARG A 41 1.337 6.625 -12.449 1.00 0.00 H new ATOM 0 HH21 ARG A 41 1.846 6.774 -8.985 1.00 0.00 H new ATOM 0 HH22 ARG A 41 1.369 7.657 -10.439 1.00 0.00 H new ATOM 671 N ASN A 42 3.593 -1.818 -10.138 1.00 0.00 N ATOM 672 CA ASN A 42 4.746 -2.711 -10.178 1.00 0.00 C ATOM 673 C ASN A 42 4.686 -3.650 -8.961 1.00 0.00 C ATOM 674 O ASN A 42 4.814 -3.208 -7.824 1.00 0.00 O ATOM 675 CB ASN A 42 6.042 -1.845 -10.181 1.00 0.00 C ATOM 676 CG ASN A 42 7.342 -2.637 -10.114 1.00 0.00 C ATOM 677 OD1 ASN A 42 7.433 -3.756 -10.613 1.00 0.00 O ATOM 678 ND2 ASN A 42 8.358 -2.055 -9.492 1.00 0.00 N ATOM 0 H ASN A 42 3.511 -1.316 -9.254 1.00 0.00 H new ATOM 0 HA ASN A 42 4.744 -3.325 -11.078 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.052 -1.234 -11.084 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.006 -1.160 -9.333 1.00 0.00 H new ATOM 0 HD21 ASN A 42 9.253 -2.538 -9.416 1.00 0.00 H new ATOM 0 HD22 ASN A 42 8.244 -1.124 -9.090 1.00 0.00 H new ATOM 685 N VAL A 43 4.461 -4.947 -9.222 1.00 0.00 N ATOM 686 CA VAL A 43 4.353 -5.977 -8.168 1.00 0.00 C ATOM 687 C VAL A 43 5.738 -6.436 -7.694 1.00 0.00 C ATOM 688 O VAL A 43 5.845 -7.069 -6.638 1.00 0.00 O ATOM 689 CB VAL A 43 3.501 -7.220 -8.626 1.00 0.00 C ATOM 690 CG1 VAL A 43 2.023 -6.826 -8.858 1.00 0.00 C ATOM 691 CG2 VAL A 43 4.113 -7.887 -9.885 1.00 0.00 C ATOM 0 H VAL A 43 4.348 -5.314 -10.167 1.00 0.00 H new ATOM 0 HA VAL A 43 3.831 -5.508 -7.334 1.00 0.00 H new ATOM 0 HB VAL A 43 3.525 -7.955 -7.822 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.458 -7.703 -9.173 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.601 -6.436 -7.932 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.968 -6.061 -9.632 1.00 0.00 H new ATOM 0 HG21 VAL A 43 3.503 -8.742 -10.177 1.00 0.00 H new ATOM 0 HG22 VAL A 43 4.141 -7.166 -10.702 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.126 -8.223 -9.663 1.00 0.00 H new ATOM 914 N ILE A 57 2.664 -12.502 -7.281 1.00 0.00 N ATOM 915 CA ILE A 57 2.624 -13.154 -5.970 1.00 0.00 C ATOM 916 C ILE A 57 2.935 -12.101 -4.898 1.00 0.00 C ATOM 917 O ILE A 57 4.096 -11.771 -4.650 1.00 0.00 O ATOM 918 CB ILE A 57 3.626 -14.370 -5.869 1.00 0.00 C ATOM 919 CG1 ILE A 57 3.322 -15.415 -6.989 1.00 0.00 C ATOM 920 CG2 ILE A 57 3.576 -15.026 -4.458 1.00 0.00 C ATOM 921 CD1 ILE A 57 4.200 -16.653 -6.979 1.00 0.00 C ATOM 0 HA ILE A 57 1.628 -13.570 -5.817 1.00 0.00 H new ATOM 0 HB ILE A 57 4.638 -13.994 -6.016 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.282 -15.727 -6.899 1.00 0.00 H new ATOM 0 HG13 ILE A 57 3.425 -14.925 -7.957 1.00 0.00 H new ATOM 0 HG21 ILE A 57 4.277 -15.860 -4.420 1.00 0.00 H new ATOM 0 HG22 ILE A 57 3.849 -14.288 -3.704 1.00 0.00 H new ATOM 0 HG23 ILE A 57 2.568 -15.390 -4.262 1.00 0.00 H new ATOM 0 HD11 ILE A 57 3.907 -17.313 -7.795 1.00 0.00 H new ATOM 0 HD12 ILE A 57 5.243 -16.361 -7.105 1.00 0.00 H new ATOM 0 HD13 ILE A 57 4.082 -17.175 -6.030 1.00 0.00 H new ATOM 933 N ILE A 58 1.862 -11.515 -4.360 1.00 0.00 N ATOM 934 CA ILE A 58 1.917 -10.483 -3.323 1.00 0.00 C ATOM 935 C ILE A 58 1.792 -11.170 -1.945 1.00 0.00 C ATOM 936 O ILE A 58 0.900 -11.990 -1.749 1.00 0.00 O ATOM 937 CB ILE A 58 0.752 -9.448 -3.559 1.00 0.00 C ATOM 938 CG1 ILE A 58 0.890 -8.791 -4.981 1.00 0.00 C ATOM 939 CG2 ILE A 58 0.712 -8.372 -2.452 1.00 0.00 C ATOM 940 CD1 ILE A 58 -0.281 -7.929 -5.412 1.00 0.00 C ATOM 0 H ILE A 58 0.910 -11.751 -4.640 1.00 0.00 H new ATOM 0 HA ILE A 58 2.861 -9.940 -3.360 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.194 -9.988 -3.514 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.794 -8.182 -4.996 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.028 -9.583 -5.717 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.104 -7.677 -2.650 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.555 -8.850 -1.485 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.657 -7.828 -2.439 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.088 -7.523 -6.405 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.188 -8.533 -5.437 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.410 -7.110 -4.704 1.00 0.00 H new ATOM 952 N THR A 59 2.712 -10.873 -1.022 1.00 0.00 N ATOM 953 CA THR A 59 2.748 -11.486 0.324 1.00 0.00 C ATOM 954 C THR A 59 2.771 -10.384 1.393 1.00 0.00 C ATOM 955 O THR A 59 3.036 -9.223 1.070 1.00 0.00 O ATOM 956 CB THR A 59 4.004 -12.413 0.471 1.00 0.00 C ATOM 957 OG1 THR A 59 5.189 -11.679 0.122 1.00 0.00 O ATOM 958 CG2 THR A 59 3.909 -13.672 -0.421 1.00 0.00 C ATOM 0 H THR A 59 3.460 -10.198 -1.181 1.00 0.00 H new ATOM 0 HA THR A 59 1.855 -12.096 0.459 1.00 0.00 H new ATOM 0 HB THR A 59 4.047 -12.740 1.510 1.00 0.00 H new ATOM 0 HG1 THR A 59 5.973 -12.259 0.216 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.802 -14.283 -0.285 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.028 -14.250 -0.142 1.00 0.00 H new ATOM 0 HG23 THR A 59 3.831 -13.372 -1.466 1.00 0.00 H new ATOM 966 N ARG A 60 2.480 -10.741 2.660 1.00 0.00 N ATOM 967 CA ARG A 60 2.545 -9.780 3.786 1.00 0.00 C ATOM 968 C ARG A 60 4.024 -9.486 4.127 1.00 0.00 C ATOM 969 O ARG A 60 4.868 -10.394 4.083 1.00 0.00 O ATOM 970 CB ARG A 60 1.800 -10.313 5.046 1.00 0.00 C ATOM 971 CG ARG A 60 1.629 -9.261 6.174 1.00 0.00 C ATOM 972 CD ARG A 60 1.139 -9.865 7.501 1.00 0.00 C ATOM 973 NE ARG A 60 2.167 -10.716 8.130 1.00 0.00 N ATOM 974 CZ ARG A 60 2.077 -11.268 9.355 1.00 0.00 C ATOM 975 NH1 ARG A 60 0.969 -11.152 10.081 1.00 0.00 N ATOM 976 NH2 ARG A 60 3.098 -11.943 9.851 1.00 0.00 N ATOM 0 H ARG A 60 2.199 -11.683 2.931 1.00 0.00 H new ATOM 0 HA ARG A 60 2.046 -8.861 3.477 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.815 -10.673 4.747 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.346 -11.169 5.442 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.582 -8.760 6.341 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.922 -8.499 5.846 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.863 -9.063 8.185 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.240 -10.454 7.322 1.00 0.00 H new ATOM 0 HE ARG A 60 3.015 -10.901 7.594 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.169 -10.638 9.712 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.919 -11.577 11.007 1.00 0.00 H new ATOM 0 HH21 ARG A 60 3.954 -12.046 9.306 1.00 0.00 H new ATOM 0 HH22 ARG A 60 3.030 -12.361 10.779 1.00 0.00 H new ATOM 990 N GLY A 61 4.324 -8.217 4.457 1.00 0.00 N ATOM 991 CA GLY A 61 5.697 -7.770 4.729 1.00 0.00 C ATOM 992 C GLY A 61 6.493 -7.485 3.459 1.00 0.00 C ATOM 993 O GLY A 61 7.680 -7.162 3.531 1.00 0.00 O ATOM 0 H GLY A 61 3.625 -7.479 4.542 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.665 -6.869 5.341 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.213 -8.533 5.311 1.00 0.00 H new ATOM 997 N ALA A 62 5.837 -7.623 2.292 1.00 0.00 N ATOM 998 CA ALA A 62 6.453 -7.372 0.978 1.00 0.00 C ATOM 999 C ALA A 62 6.313 -5.903 0.586 1.00 0.00 C ATOM 1000 O ALA A 62 5.499 -5.182 1.164 1.00 0.00 O ATOM 1001 CB ALA A 62 5.794 -8.268 -0.079 1.00 0.00 C ATOM 0 H ALA A 62 4.861 -7.913 2.235 1.00 0.00 H new ATOM 0 HA ALA A 62 7.516 -7.607 1.038 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.251 -8.081 -1.051 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.934 -9.314 0.192 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.728 -8.046 -0.131 1.00 0.00 H new ATOM 1007 N VAL A 63 7.114 -5.462 -0.396 1.00 0.00 N ATOM 1008 CA VAL A 63 6.990 -4.121 -0.970 1.00 0.00 C ATOM 1009 C VAL A 63 6.450 -4.221 -2.406 1.00 0.00 C ATOM 1010 O VAL A 63 7.015 -4.923 -3.250 1.00 0.00 O ATOM 1011 CB VAL A 63 8.347 -3.327 -0.991 1.00 0.00 C ATOM 1012 CG1 VAL A 63 8.113 -1.882 -1.484 1.00 0.00 C ATOM 1013 CG2 VAL A 63 9.046 -3.335 0.383 1.00 0.00 C ATOM 0 H VAL A 63 7.859 -6.023 -0.809 1.00 0.00 H new ATOM 0 HA VAL A 63 6.301 -3.571 -0.329 1.00 0.00 H new ATOM 0 HB VAL A 63 9.015 -3.833 -1.688 1.00 0.00 H new ATOM 0 HG11 VAL A 63 9.060 -1.343 -1.494 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.698 -1.904 -2.491 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.416 -1.378 -0.815 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.979 -2.775 0.320 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.395 -2.873 1.125 1.00 0.00 H new ATOM 0 HG23 VAL A 63 9.259 -4.363 0.677 1.00 0.00 H new ATOM 1023 N VAL A 64 5.350 -3.513 -2.656 1.00 0.00 N ATOM 1024 CA VAL A 64 4.810 -3.284 -4.005 1.00 0.00 C ATOM 1025 C VAL A 64 4.954 -1.786 -4.328 1.00 0.00 C ATOM 1026 O VAL A 64 5.283 -1.000 -3.449 1.00 0.00 O ATOM 1027 CB VAL A 64 3.301 -3.722 -4.112 1.00 0.00 C ATOM 1028 CG1 VAL A 64 3.149 -5.257 -3.975 1.00 0.00 C ATOM 1029 CG2 VAL A 64 2.420 -2.978 -3.073 1.00 0.00 C ATOM 0 H VAL A 64 4.797 -3.074 -1.920 1.00 0.00 H new ATOM 0 HA VAL A 64 5.367 -3.888 -4.721 1.00 0.00 H new ATOM 0 HB VAL A 64 2.949 -3.441 -5.105 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.096 -5.527 -4.053 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.710 -5.750 -4.769 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.534 -5.576 -3.006 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.385 -3.304 -3.174 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.775 -3.203 -2.067 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.481 -1.904 -3.247 1.00 0.00 H new ATOM 1039 N GLU A 65 4.743 -1.405 -5.588 1.00 0.00 N ATOM 1040 CA GLU A 65 4.651 0.007 -5.999 1.00 0.00 C ATOM 1041 C GLU A 65 3.232 0.267 -6.508 1.00 0.00 C ATOM 1042 O GLU A 65 2.701 -0.519 -7.291 1.00 0.00 O ATOM 1043 CB GLU A 65 5.687 0.353 -7.098 1.00 0.00 C ATOM 1044 CG GLU A 65 5.729 1.856 -7.464 1.00 0.00 C ATOM 1045 CD GLU A 65 6.551 2.154 -8.728 1.00 0.00 C ATOM 1046 OE1 GLU A 65 7.799 2.207 -8.644 1.00 0.00 O ATOM 1047 OE2 GLU A 65 5.949 2.351 -9.803 1.00 0.00 O ATOM 0 H GLU A 65 4.630 -2.064 -6.358 1.00 0.00 H new ATOM 0 HA GLU A 65 4.872 0.642 -5.141 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.676 0.042 -6.763 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.459 -0.224 -7.994 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.710 2.216 -7.609 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.148 2.415 -6.627 1.00 0.00 H new ATOM 1054 N THR A 66 2.634 1.377 -6.071 1.00 0.00 N ATOM 1055 CA THR A 66 1.230 1.714 -6.348 1.00 0.00 C ATOM 1056 C THR A 66 1.156 3.087 -7.024 1.00 0.00 C ATOM 1057 O THR A 66 2.195 3.702 -7.294 1.00 0.00 O ATOM 1058 CB THR A 66 0.386 1.719 -5.028 1.00 0.00 C ATOM 1059 OG1 THR A 66 0.807 2.799 -4.173 1.00 0.00 O ATOM 1060 CG2 THR A 66 0.510 0.385 -4.262 1.00 0.00 C ATOM 0 H THR A 66 3.114 2.078 -5.507 1.00 0.00 H new ATOM 0 HA THR A 66 0.815 0.958 -7.014 1.00 0.00 H new ATOM 0 HB THR A 66 -0.658 1.854 -5.311 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.742 2.664 -3.911 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.090 0.430 -3.353 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.154 -0.431 -4.892 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.554 0.212 -3.999 1.00 0.00 H new ATOM 1068 N ASN A 67 -0.079 3.557 -7.300 1.00 0.00 N ATOM 1069 CA ASN A 67 -0.320 4.905 -7.859 1.00 0.00 C ATOM 1070 C ASN A 67 0.248 5.999 -6.943 1.00 0.00 C ATOM 1071 O ASN A 67 0.621 7.076 -7.410 1.00 0.00 O ATOM 1072 CB ASN A 67 -1.833 5.160 -8.105 1.00 0.00 C ATOM 1073 CG ASN A 67 -2.429 4.317 -9.232 1.00 0.00 C ATOM 1074 OD1 ASN A 67 -1.724 3.883 -10.144 1.00 0.00 O ATOM 1075 ND2 ASN A 67 -3.738 4.114 -9.201 1.00 0.00 N ATOM 0 H ASN A 67 -0.931 3.018 -7.143 1.00 0.00 H new ATOM 0 HA ASN A 67 0.198 4.946 -8.817 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -2.380 4.956 -7.184 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -1.980 6.215 -8.337 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -4.190 3.585 -9.947 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -4.294 4.487 -8.431 1.00 0.00 H new ATOM 1082 N LEU A 68 0.301 5.712 -5.635 1.00 0.00 N ATOM 1083 CA LEU A 68 0.790 6.658 -4.621 1.00 0.00 C ATOM 1084 C LEU A 68 2.314 6.495 -4.409 1.00 0.00 C ATOM 1085 O LEU A 68 3.049 7.492 -4.396 1.00 0.00 O ATOM 1086 CB LEU A 68 -0.024 6.466 -3.312 1.00 0.00 C ATOM 1087 CG LEU A 68 -1.578 6.630 -3.484 1.00 0.00 C ATOM 1088 CD1 LEU A 68 -2.338 6.424 -2.163 1.00 0.00 C ATOM 1089 CD2 LEU A 68 -1.945 7.995 -4.121 1.00 0.00 C ATOM 0 H LEU A 68 0.005 4.815 -5.249 1.00 0.00 H new ATOM 0 HA LEU A 68 0.639 7.682 -4.962 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.182 5.473 -2.913 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.325 7.186 -2.572 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.894 5.842 -4.168 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.407 6.548 -2.335 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.145 5.420 -1.785 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.001 7.158 -1.431 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.028 8.070 -4.223 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.584 8.803 -3.484 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.482 8.074 -5.104 1.00 0.00 H new ATOM 1101 N GLY A 69 2.787 5.241 -4.285 1.00 0.00 N ATOM 1102 CA GLY A 69 4.222 4.955 -4.082 1.00 0.00 C ATOM 1103 C GLY A 69 4.461 3.525 -3.628 1.00 0.00 C ATOM 1104 O GLY A 69 3.558 2.695 -3.726 1.00 0.00 O ATOM 0 H GLY A 69 2.198 4.409 -4.322 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.762 5.135 -5.012 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.627 5.643 -3.340 1.00 0.00 H new ATOM 1108 N ASN A 70 5.683 3.219 -3.133 1.00 0.00 N ATOM 1109 CA ASN A 70 5.994 1.878 -2.597 1.00 0.00 C ATOM 1110 C ASN A 70 5.309 1.689 -1.236 1.00 0.00 C ATOM 1111 O ASN A 70 5.348 2.581 -0.390 1.00 0.00 O ATOM 1112 CB ASN A 70 7.519 1.614 -2.473 1.00 0.00 C ATOM 1113 CG ASN A 70 8.216 1.412 -3.820 1.00 0.00 C ATOM 1114 OD1 ASN A 70 8.086 0.218 -4.393 1.00 0.00 O flip ATOM 1115 ND2 ASN A 70 8.837 2.323 -4.362 1.00 0.00 N flip ATOM 0 H ASN A 70 6.461 3.877 -3.095 1.00 0.00 H new ATOM 0 HA ASN A 70 5.609 1.150 -3.311 1.00 0.00 H new ATOM 0 HB2 ASN A 70 7.984 2.453 -1.955 1.00 0.00 H new ATOM 0 HB3 ASN A 70 7.677 0.730 -1.855 1.00 0.00 H new ATOM 0 HD21 ASN A 70 8.921 3.228 -3.900 1.00 0.00 H new ATOM 0 HD22 ASN A 70 9.269 2.174 -5.274 1.00 0.00 H new ATOM 1122 N VAL A 71 4.649 0.532 -1.063 1.00 0.00 N ATOM 1123 CA VAL A 71 3.824 0.212 0.116 1.00 0.00 C ATOM 1124 C VAL A 71 4.238 -1.159 0.705 1.00 0.00 C ATOM 1125 O VAL A 71 4.602 -2.071 -0.044 1.00 0.00 O ATOM 1126 CB VAL A 71 2.293 0.171 -0.315 1.00 0.00 C ATOM 1127 CG1 VAL A 71 1.350 -0.164 0.858 1.00 0.00 C ATOM 1128 CG2 VAL A 71 1.864 1.494 -0.993 1.00 0.00 C ATOM 0 H VAL A 71 4.674 -0.221 -1.750 1.00 0.00 H new ATOM 0 HA VAL A 71 3.973 0.978 0.877 1.00 0.00 H new ATOM 0 HB VAL A 71 2.203 -0.639 -1.039 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.319 -0.178 0.504 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.607 -1.142 1.264 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.456 0.591 1.637 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.813 1.434 -1.276 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.006 2.322 -0.298 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.470 1.660 -1.884 1.00 0.00 H new ATOM 1138 N ARG A 72 4.175 -1.281 2.048 1.00 0.00 N ATOM 1139 CA ARG A 72 4.290 -2.577 2.752 1.00 0.00 C ATOM 1140 C ARG A 72 2.906 -3.218 2.780 1.00 0.00 C ATOM 1141 O ARG A 72 1.970 -2.622 3.323 1.00 0.00 O ATOM 1142 CB ARG A 72 4.806 -2.410 4.215 1.00 0.00 C ATOM 1143 CG ARG A 72 6.318 -2.190 4.363 1.00 0.00 C ATOM 1144 CD ARG A 72 7.155 -3.424 3.992 1.00 0.00 C ATOM 1145 NE ARG A 72 8.583 -3.153 4.208 1.00 0.00 N ATOM 1146 CZ ARG A 72 9.611 -3.923 3.823 1.00 0.00 C ATOM 1147 NH1 ARG A 72 9.420 -5.074 3.185 1.00 0.00 N ATOM 1148 NH2 ARG A 72 10.845 -3.518 4.069 1.00 0.00 N ATOM 0 H ARG A 72 4.043 -0.486 2.674 1.00 0.00 H new ATOM 0 HA ARG A 72 5.012 -3.198 2.222 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.288 -1.566 4.670 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.529 -3.298 4.783 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.619 -1.353 3.732 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.537 -1.908 5.393 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.844 -4.278 4.594 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.982 -3.690 2.949 1.00 0.00 H new ATOM 0 HE ARG A 72 8.816 -2.291 4.701 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.473 -5.391 2.977 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.220 -5.640 2.904 1.00 0.00 H new ATOM 0 HH21 ARG A 72 11.005 -2.631 4.546 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.637 -4.093 3.782 1.00 0.00 H new ATOM 1162 N VAL A 73 2.785 -4.417 2.213 1.00 0.00 N ATOM 1163 CA VAL A 73 1.527 -5.167 2.178 1.00 0.00 C ATOM 1164 C VAL A 73 1.232 -5.718 3.584 1.00 0.00 C ATOM 1165 O VAL A 73 2.064 -6.417 4.159 1.00 0.00 O ATOM 1166 CB VAL A 73 1.614 -6.340 1.139 1.00 0.00 C ATOM 1167 CG1 VAL A 73 0.297 -7.156 1.079 1.00 0.00 C ATOM 1168 CG2 VAL A 73 2.016 -5.802 -0.258 1.00 0.00 C ATOM 0 H VAL A 73 3.561 -4.900 1.761 1.00 0.00 H new ATOM 0 HA VAL A 73 0.719 -4.503 1.870 1.00 0.00 H new ATOM 0 HB VAL A 73 2.393 -7.025 1.474 1.00 0.00 H new ATOM 0 HG11 VAL A 73 0.399 -7.958 0.348 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.089 -7.583 2.060 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.524 -6.501 0.787 1.00 0.00 H new ATOM 0 HG21 VAL A 73 2.071 -6.630 -0.965 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.271 -5.083 -0.599 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.989 -5.314 -0.194 1.00 0.00 H new ATOM 1178 N THR A 74 0.066 -5.369 4.138 1.00 0.00 N ATOM 1179 CA THR A 74 -0.322 -5.749 5.510 1.00 0.00 C ATOM 1180 C THR A 74 -1.418 -6.828 5.494 1.00 0.00 C ATOM 1181 O THR A 74 -1.573 -7.570 6.474 1.00 0.00 O ATOM 1182 CB THR A 74 -0.800 -4.499 6.318 1.00 0.00 C ATOM 1183 OG1 THR A 74 -1.920 -3.894 5.657 1.00 0.00 O ATOM 1184 CG2 THR A 74 0.328 -3.452 6.464 1.00 0.00 C ATOM 0 H THR A 74 -0.639 -4.815 3.652 1.00 0.00 H new ATOM 0 HA THR A 74 0.558 -6.163 6.003 1.00 0.00 H new ATOM 0 HB THR A 74 -1.087 -4.837 7.314 1.00 0.00 H new ATOM 0 HG1 THR A 74 -2.218 -3.112 6.167 1.00 0.00 H new ATOM 0 HG21 THR A 74 -0.040 -2.597 7.031 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.173 -3.898 6.988 1.00 0.00 H new ATOM 0 HG23 THR A 74 0.648 -3.121 5.476 1.00 0.00 H new ATOM 1192 N SER A 75 -2.187 -6.903 4.388 1.00 0.00 N ATOM 1193 CA SER A 75 -3.230 -7.934 4.200 1.00 0.00 C ATOM 1194 C SER A 75 -2.689 -9.161 3.451 1.00 0.00 C ATOM 1195 O SER A 75 -1.521 -9.201 3.040 1.00 0.00 O ATOM 1196 CB SER A 75 -4.434 -7.352 3.425 1.00 0.00 C ATOM 1197 OG SER A 75 -4.976 -6.236 4.094 1.00 0.00 O ATOM 0 H SER A 75 -2.104 -6.255 3.604 1.00 0.00 H new ATOM 0 HA SER A 75 -3.551 -8.251 5.192 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.119 -7.062 2.423 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.201 -8.118 3.309 1.00 0.00 H new ATOM 0 HG SER A 75 -5.735 -5.885 3.583 1.00 0.00 H new ATOM 1203 N ARG A 76 -3.569 -10.165 3.303 1.00 0.00 N ATOM 1204 CA ARG A 76 -3.336 -11.348 2.467 1.00 0.00 C ATOM 1205 C ARG A 76 -4.206 -11.228 1.201 1.00 0.00 C ATOM 1206 O ARG A 76 -5.421 -11.008 1.326 1.00 0.00 O ATOM 1207 CB ARG A 76 -3.686 -12.628 3.267 1.00 0.00 C ATOM 1208 CG ARG A 76 -2.815 -12.849 4.522 1.00 0.00 C ATOM 1209 CD ARG A 76 -1.323 -13.030 4.189 1.00 0.00 C ATOM 1210 NE ARG A 76 -0.502 -13.206 5.391 1.00 0.00 N ATOM 1211 CZ ARG A 76 0.764 -13.659 5.399 1.00 0.00 C ATOM 1212 NH1 ARG A 76 1.369 -14.034 4.274 1.00 0.00 N ATOM 1213 NH2 ARG A 76 1.424 -13.731 6.539 1.00 0.00 N ATOM 0 H ARG A 76 -4.476 -10.175 3.770 1.00 0.00 H new ATOM 0 HA ARG A 76 -2.288 -11.412 2.175 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.732 -12.579 3.569 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -3.583 -13.492 2.611 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.932 -11.999 5.194 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -3.173 -13.729 5.056 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.201 -13.896 3.538 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -0.969 -12.161 3.634 1.00 0.00 H new ATOM 0 HE ARG A 76 -0.923 -12.967 6.289 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.872 -13.980 3.385 1.00 0.00 H new ATOM 0 HH12 ARG A 76 2.330 -14.375 4.301 1.00 0.00 H new ATOM 0 HH21 ARG A 76 0.974 -13.444 7.408 1.00 0.00 H new ATOM 0 HH22 ARG A 76 2.385 -14.074 6.551 1.00 0.00 H new ATOM 1227 N PRO A 77 -3.604 -11.355 -0.033 1.00 0.00 N ATOM 1228 CA PRO A 77 -4.333 -11.183 -1.316 1.00 0.00 C ATOM 1229 C PRO A 77 -5.494 -12.194 -1.477 1.00 0.00 C ATOM 1230 O PRO A 77 -5.285 -13.412 -1.426 1.00 0.00 O ATOM 1231 CB PRO A 77 -3.234 -11.407 -2.399 1.00 0.00 C ATOM 1232 CG PRO A 77 -2.191 -12.217 -1.699 1.00 0.00 C ATOM 1233 CD PRO A 77 -2.173 -11.685 -0.280 1.00 0.00 C ATOM 0 HA PRO A 77 -4.810 -10.205 -1.386 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.631 -11.933 -3.267 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.829 -10.461 -2.758 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -2.435 -13.279 -1.720 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -1.217 -12.105 -2.176 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -1.802 -12.428 0.426 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.533 -10.808 -0.185 1.00 0.00 H new ATOM 1241 N GLY A 78 -6.716 -11.661 -1.620 1.00 0.00 N ATOM 1242 CA GLY A 78 -7.921 -12.461 -1.859 1.00 0.00 C ATOM 1243 C GLY A 78 -8.634 -12.859 -0.576 1.00 0.00 C ATOM 1244 O GLY A 78 -9.865 -12.875 -0.536 1.00 0.00 O ATOM 0 H GLY A 78 -6.895 -10.658 -1.573 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -8.607 -11.895 -2.489 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -7.650 -13.361 -2.411 1.00 0.00 H new ATOM 1248 N GLN A 79 -7.853 -13.154 0.484 1.00 0.00 N ATOM 1249 CA GLN A 79 -8.373 -13.674 1.766 1.00 0.00 C ATOM 1250 C GLN A 79 -9.287 -12.653 2.470 1.00 0.00 C ATOM 1251 O GLN A 79 -10.238 -13.032 3.167 1.00 0.00 O ATOM 1252 CB GLN A 79 -7.194 -14.075 2.694 1.00 0.00 C ATOM 1253 CG GLN A 79 -6.260 -15.162 2.114 1.00 0.00 C ATOM 1254 CD GLN A 79 -6.985 -16.477 1.795 1.00 0.00 C ATOM 1255 OE1 GLN A 79 -7.489 -16.678 0.688 1.00 0.00 O ATOM 1256 NE2 GLN A 79 -7.062 -17.371 2.771 1.00 0.00 N ATOM 0 H GLN A 79 -6.840 -13.038 0.475 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.976 -14.555 1.548 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.603 -13.186 2.913 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -7.599 -14.430 3.641 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -5.793 -14.783 1.205 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -5.458 -15.360 2.826 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -6.635 -17.176 3.676 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -7.548 -18.254 2.616 1.00 0.00 H new ATOM 1265 N ASP A 80 -8.983 -11.360 2.268 1.00 0.00 N ATOM 1266 CA ASP A 80 -9.760 -10.235 2.835 1.00 0.00 C ATOM 1267 C ASP A 80 -10.606 -9.532 1.758 1.00 0.00 C ATOM 1268 O ASP A 80 -11.231 -8.501 2.035 1.00 0.00 O ATOM 1269 CB ASP A 80 -8.797 -9.217 3.496 1.00 0.00 C ATOM 1270 CG ASP A 80 -8.019 -9.810 4.673 1.00 0.00 C ATOM 1271 OD1 ASP A 80 -7.045 -10.561 4.435 1.00 0.00 O ATOM 1272 OD2 ASP A 80 -8.394 -9.552 5.845 1.00 0.00 O ATOM 0 H ASP A 80 -8.188 -11.060 1.704 1.00 0.00 H new ATOM 0 HA ASP A 80 -10.441 -10.639 3.584 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -8.093 -8.853 2.748 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -9.369 -8.356 3.842 1.00 0.00 H new ATOM 1277 N GLY A 81 -10.621 -10.101 0.535 1.00 0.00 N ATOM 1278 CA GLY A 81 -11.299 -9.501 -0.619 1.00 0.00 C ATOM 1279 C GLY A 81 -10.416 -8.490 -1.348 1.00 0.00 C ATOM 1280 O GLY A 81 -10.086 -8.678 -2.528 1.00 0.00 O ATOM 0 H GLY A 81 -10.163 -10.988 0.326 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -11.596 -10.288 -1.313 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -12.212 -9.009 -0.285 1.00 0.00 H new ATOM 1284 N VAL A 82 -10.026 -7.433 -0.628 1.00 0.00 N ATOM 1285 CA VAL A 82 -9.100 -6.388 -1.111 1.00 0.00 C ATOM 1286 C VAL A 82 -7.791 -6.468 -0.296 1.00 0.00 C ATOM 1287 O VAL A 82 -7.775 -7.047 0.807 1.00 0.00 O ATOM 1288 CB VAL A 82 -9.754 -4.950 -0.990 1.00 0.00 C ATOM 1289 CG1 VAL A 82 -9.890 -4.488 0.483 1.00 0.00 C ATOM 1290 CG2 VAL A 82 -8.998 -3.900 -1.843 1.00 0.00 C ATOM 0 H VAL A 82 -10.348 -7.271 0.326 1.00 0.00 H new ATOM 0 HA VAL A 82 -8.883 -6.556 -2.166 1.00 0.00 H new ATOM 0 HB VAL A 82 -10.764 -5.035 -1.392 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -10.343 -3.497 0.513 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -10.519 -5.192 1.028 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -8.903 -4.450 0.945 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -9.478 -2.928 -1.732 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -7.963 -3.834 -1.506 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -9.020 -4.198 -2.891 1.00 0.00 H new ATOM 1300 N ILE A 83 -6.701 -5.913 -0.840 1.00 0.00 N ATOM 1301 CA ILE A 83 -5.416 -5.809 -0.128 1.00 0.00 C ATOM 1302 C ILE A 83 -5.367 -4.444 0.584 1.00 0.00 C ATOM 1303 O ILE A 83 -5.985 -3.479 0.128 1.00 0.00 O ATOM 1304 CB ILE A 83 -4.193 -5.976 -1.114 1.00 0.00 C ATOM 1305 CG1 ILE A 83 -4.295 -7.332 -1.880 1.00 0.00 C ATOM 1306 CG2 ILE A 83 -2.837 -5.873 -0.370 1.00 0.00 C ATOM 1307 CD1 ILE A 83 -3.123 -7.646 -2.799 1.00 0.00 C ATOM 0 H ILE A 83 -6.682 -5.524 -1.783 1.00 0.00 H new ATOM 0 HA ILE A 83 -5.341 -6.614 0.603 1.00 0.00 H new ATOM 0 HB ILE A 83 -4.234 -5.158 -1.834 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.390 -8.137 -1.151 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.210 -7.329 -2.472 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -2.021 -5.993 -1.083 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.759 -4.898 0.110 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -2.776 -6.656 0.386 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -3.289 -8.608 -3.284 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -3.036 -6.867 -3.557 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -2.204 -7.688 -2.215 1.00 0.00 H new ATOM 1319 N ASN A 84 -4.696 -4.397 1.740 1.00 0.00 N ATOM 1320 CA ASN A 84 -4.387 -3.155 2.475 1.00 0.00 C ATOM 1321 C ASN A 84 -2.874 -3.106 2.710 1.00 0.00 C ATOM 1322 O ASN A 84 -2.178 -4.131 2.579 1.00 0.00 O ATOM 1323 CB ASN A 84 -5.135 -3.092 3.844 1.00 0.00 C ATOM 1324 CG ASN A 84 -6.666 -3.027 3.748 1.00 0.00 C ATOM 1325 OD1 ASN A 84 -7.282 -3.481 2.784 1.00 0.00 O ATOM 1326 ND2 ASN A 84 -7.299 -2.477 4.766 1.00 0.00 N ATOM 0 H ASN A 84 -4.344 -5.234 2.204 1.00 0.00 H new ATOM 0 HA ASN A 84 -4.719 -2.301 1.884 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -4.860 -3.968 4.431 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -4.784 -2.218 4.392 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -8.318 -2.422 4.764 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -6.770 -2.107 5.556 1.00 0.00 H new ATOM 1333 N GLY A 85 -2.370 -1.914 3.039 1.00 0.00 N ATOM 1334 CA GLY A 85 -0.959 -1.712 3.332 1.00 0.00 C ATOM 1335 C GLY A 85 -0.671 -0.356 3.949 1.00 0.00 C ATOM 1336 O GLY A 85 -1.579 0.441 4.153 1.00 0.00 O ATOM 0 H GLY A 85 -2.932 -1.066 3.108 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.619 -2.494 4.011 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.384 -1.816 2.412 1.00 0.00 H new ATOM 1340 N VAL A 86 0.615 -0.097 4.262 1.00 0.00 N ATOM 1341 CA VAL A 86 1.080 1.207 4.790 1.00 0.00 C ATOM 1342 C VAL A 86 2.151 1.789 3.848 1.00 0.00 C ATOM 1343 O VAL A 86 3.077 1.082 3.437 1.00 0.00 O ATOM 1344 CB VAL A 86 1.628 1.097 6.270 1.00 0.00 C ATOM 1345 CG1 VAL A 86 0.486 0.791 7.267 1.00 0.00 C ATOM 1346 CG2 VAL A 86 2.762 0.045 6.391 1.00 0.00 C ATOM 0 H VAL A 86 1.362 -0.784 4.157 1.00 0.00 H new ATOM 0 HA VAL A 86 0.223 1.880 4.828 1.00 0.00 H new ATOM 0 HB VAL A 86 2.054 2.067 6.526 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.893 0.721 8.276 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.254 1.590 7.229 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.013 -0.154 7.000 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.109 0.002 7.423 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.384 -0.933 6.094 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.590 0.327 5.741 1.00 0.00 H new ATOM 1356 N LEU A 87 1.988 3.075 3.474 1.00 0.00 N ATOM 1357 CA LEU A 87 2.889 3.760 2.527 1.00 0.00 C ATOM 1358 C LEU A 87 4.287 3.931 3.158 1.00 0.00 C ATOM 1359 O LEU A 87 4.406 4.358 4.309 1.00 0.00 O ATOM 1360 CB LEU A 87 2.278 5.130 2.125 1.00 0.00 C ATOM 1361 CG LEU A 87 2.978 5.904 0.948 1.00 0.00 C ATOM 1362 CD1 LEU A 87 3.125 5.028 -0.317 1.00 0.00 C ATOM 1363 CD2 LEU A 87 2.208 7.207 0.616 1.00 0.00 C ATOM 0 H LEU A 87 1.231 3.665 3.819 1.00 0.00 H new ATOM 0 HA LEU A 87 3.001 3.158 1.625 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.235 4.969 1.852 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.282 5.774 3.004 1.00 0.00 H new ATOM 0 HG LEU A 87 3.982 6.162 1.285 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.613 5.604 -1.103 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.727 4.150 -0.083 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.139 4.712 -0.658 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.709 7.727 -0.201 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.188 6.961 0.319 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.185 7.850 1.496 1.00 0.00 H new ATOM 1375 N ILE A 88 5.342 3.562 2.415 1.00 0.00 N ATOM 1376 CA ILE A 88 6.729 3.604 2.921 1.00 0.00 C ATOM 1377 C ILE A 88 7.620 4.471 2.028 1.00 0.00 C ATOM 1378 O ILE A 88 7.292 4.763 0.869 1.00 0.00 O ATOM 1379 CB ILE A 88 7.360 2.165 3.070 1.00 0.00 C ATOM 1380 CG1 ILE A 88 7.463 1.442 1.690 1.00 0.00 C ATOM 1381 CG2 ILE A 88 6.561 1.319 4.092 1.00 0.00 C ATOM 1382 CD1 ILE A 88 8.085 0.062 1.722 1.00 0.00 C ATOM 0 H ILE A 88 5.263 3.228 1.454 1.00 0.00 H new ATOM 0 HA ILE A 88 6.678 4.050 3.914 1.00 0.00 H new ATOM 0 HB ILE A 88 8.375 2.282 3.450 1.00 0.00 H new ATOM 0 HG12 ILE A 88 6.462 1.361 1.267 1.00 0.00 H new ATOM 0 HG13 ILE A 88 8.045 2.068 1.014 1.00 0.00 H new ATOM 0 HG21 ILE A 88 7.013 0.331 4.179 1.00 0.00 H new ATOM 0 HG22 ILE A 88 6.577 1.812 5.064 1.00 0.00 H new ATOM 0 HG23 ILE A 88 5.530 1.217 3.753 1.00 0.00 H new ATOM 0 HD11 ILE A 88 8.108 -0.350 0.713 1.00 0.00 H new ATOM 0 HD12 ILE A 88 9.101 0.130 2.110 1.00 0.00 H new ATOM 0 HD13 ILE A 88 7.494 -0.589 2.366 1.00 0.00 H new ATOM 1394 N ARG A 89 8.755 4.880 2.615 1.00 0.00 N ATOM 1395 CA ARG A 89 9.766 5.729 1.964 1.00 0.00 C ATOM 1396 C ARG A 89 11.092 4.943 1.822 1.00 0.00 C ATOM 1397 O ARG A 89 12.114 5.505 1.416 1.00 0.00 O ATOM 1398 CB ARG A 89 9.975 7.029 2.807 1.00 0.00 C ATOM 1399 CG ARG A 89 8.674 7.712 3.310 1.00 0.00 C ATOM 1400 CD ARG A 89 7.712 8.122 2.179 1.00 0.00 C ATOM 1401 NE ARG A 89 6.438 8.613 2.716 1.00 0.00 N ATOM 1402 CZ ARG A 89 5.332 8.883 2.004 1.00 0.00 C ATOM 1403 NH1 ARG A 89 5.305 8.742 0.683 1.00 0.00 N ATOM 1404 NH2 ARG A 89 4.254 9.312 2.635 1.00 0.00 N ATOM 0 H ARG A 89 9.001 4.626 3.572 1.00 0.00 H new ATOM 0 HA ARG A 89 9.426 6.012 0.968 1.00 0.00 H new ATOM 0 HB2 ARG A 89 10.595 6.787 3.670 1.00 0.00 H new ATOM 0 HB3 ARG A 89 10.533 7.746 2.205 1.00 0.00 H new ATOM 0 HG2 ARG A 89 8.156 7.033 3.987 1.00 0.00 H new ATOM 0 HG3 ARG A 89 8.939 8.597 3.888 1.00 0.00 H new ATOM 0 HD2 ARG A 89 8.175 8.897 1.568 1.00 0.00 H new ATOM 0 HD3 ARG A 89 7.529 7.268 1.526 1.00 0.00 H new ATOM 0 HE ARG A 89 6.388 8.763 3.724 1.00 0.00 H new ATOM 0 HH11 ARG A 89 6.137 8.422 0.187 1.00 0.00 H new ATOM 0 HH12 ARG A 89 4.452 8.954 0.165 1.00 0.00 H new ATOM 0 HH21 ARG A 89 4.270 9.433 3.648 1.00 0.00 H new ATOM 0 HH22 ARG A 89 3.405 9.522 2.110 1.00 0.00 H new ATOM 1418 N GLU A 90 11.032 3.624 2.139 1.00 0.00 N ATOM 1419 CA GLU A 90 12.211 2.743 2.224 1.00 0.00 C ATOM 1420 C GLU A 90 12.967 2.656 0.894 1.00 0.00 C ATOM 1421 O GLU A 90 14.126 3.076 0.818 1.00 0.00 O ATOM 1422 CB GLU A 90 11.801 1.328 2.709 1.00 0.00 C ATOM 1423 CG GLU A 90 11.274 1.307 4.150 1.00 0.00 C ATOM 1424 CD GLU A 90 10.911 -0.103 4.622 1.00 0.00 C ATOM 1425 OE1 GLU A 90 11.828 -0.868 4.981 1.00 0.00 O ATOM 1426 OE2 GLU A 90 9.717 -0.459 4.622 1.00 0.00 O ATOM 0 H GLU A 90 10.155 3.145 2.343 1.00 0.00 H new ATOM 0 HA GLU A 90 12.890 3.185 2.953 1.00 0.00 H new ATOM 0 HB2 GLU A 90 11.034 0.932 2.044 1.00 0.00 H new ATOM 0 HB3 GLU A 90 12.661 0.663 2.635 1.00 0.00 H new ATOM 0 HG2 GLU A 90 12.029 1.726 4.815 1.00 0.00 H new ATOM 0 HG3 GLU A 90 10.395 1.948 4.221 1.00 0.00 H new ATOM 1433 N LEU A 91 12.296 2.142 -0.153 1.00 0.00 N ATOM 1434 CA LEU A 91 12.912 1.983 -1.482 1.00 0.00 C ATOM 1435 C LEU A 91 13.222 3.347 -2.112 1.00 0.00 C ATOM 1436 O LEU A 91 12.540 4.339 -1.820 1.00 0.00 O ATOM 1437 CB LEU A 91 12.009 1.152 -2.429 1.00 0.00 C ATOM 1438 CG LEU A 91 11.735 -0.329 -2.008 1.00 0.00 C ATOM 1439 CD1 LEU A 91 11.100 -1.125 -3.168 1.00 0.00 C ATOM 1440 CD2 LEU A 91 13.017 -1.025 -1.487 1.00 0.00 C ATOM 0 H LEU A 91 11.326 1.830 -0.104 1.00 0.00 H new ATOM 0 HA LEU A 91 13.848 1.443 -1.342 1.00 0.00 H new ATOM 0 HB2 LEU A 91 11.051 1.663 -2.523 1.00 0.00 H new ATOM 0 HB3 LEU A 91 12.466 1.147 -3.419 1.00 0.00 H new ATOM 0 HG LEU A 91 11.022 -0.307 -1.183 1.00 0.00 H new ATOM 0 HD11 LEU A 91 10.920 -2.152 -2.849 1.00 0.00 H new ATOM 0 HD12 LEU A 91 10.155 -0.662 -3.453 1.00 0.00 H new ATOM 0 HD13 LEU A 91 11.776 -1.124 -4.023 1.00 0.00 H new ATOM 0 HD21 LEU A 91 12.784 -2.052 -1.205 1.00 0.00 H new ATOM 0 HD22 LEU A 91 13.774 -1.027 -2.271 1.00 0.00 H new ATOM 0 HD23 LEU A 91 13.396 -0.487 -0.618 1.00 0.00 H new