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=-1.7) USER MOD Set 1.2: A 84 ASN : amide:sc= -0.0624 K(o=-0.99,f=-6.1!) USER MOD Set 2.1: A 74 THR OG1 : rot 180:sc= -0.382 USER MOD Set 2.2: A 75 SER OG : rot -170:sc= -0.266 USER MOD Set 3.1: A 32 THR OG1 : rot 0:sc= -0.0274 USER MOD Set 3.2: A 34 LYS NZ :NH3+ 179:sc= 0.762 (180deg=0.206) USER MOD Single : A 23 THR OG1 : rot 26:sc= 0.11 USER MOD Single : A 42 ASN : amide:sc= -0.065 K(o=-0.065,f=-1.5) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -62:sc= 1.43 USER MOD Single : A 67 ASN : amide:sc= -0.598 K(o=-0.6,f=-6.1!) USER MOD Single : A 70 ASN : amide:sc= -0.423 K(o=-0.42,f=-6.7!) USER MOD Single : A 79 GLN : amide:sc= -0.122 X(o=-0.12,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 366 N THR A 23 -5.753 -5.558 -9.720 1.00 0.00 N ATOM 367 CA THR A 23 -5.068 -5.655 -8.423 1.00 0.00 C ATOM 368 C THR A 23 -5.282 -4.335 -7.657 1.00 0.00 C ATOM 369 O THR A 23 -4.745 -3.280 -8.036 1.00 0.00 O ATOM 370 CB THR A 23 -3.544 -5.918 -8.626 1.00 0.00 C ATOM 371 OG1 THR A 23 -3.359 -7.100 -9.421 1.00 0.00 O ATOM 372 CG2 THR A 23 -2.810 -6.086 -7.287 1.00 0.00 C ATOM 0 HA THR A 23 -5.479 -6.488 -7.853 1.00 0.00 H new ATOM 0 HB THR A 23 -3.123 -5.051 -9.135 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.145 -7.238 -9.990 1.00 0.00 H new ATOM 0 HG21 THR A 23 -1.751 -6.267 -7.473 1.00 0.00 H new ATOM 0 HG22 THR A 23 -2.924 -5.179 -6.693 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.233 -6.931 -6.744 1.00 0.00 H new ATOM 380 N ARG A 24 -6.102 -4.402 -6.606 1.00 0.00 N ATOM 381 CA ARG A 24 -6.509 -3.227 -5.817 1.00 0.00 C ATOM 382 C ARG A 24 -5.932 -3.306 -4.384 1.00 0.00 C ATOM 383 O ARG A 24 -5.958 -4.372 -3.761 1.00 0.00 O ATOM 384 CB ARG A 24 -8.064 -3.181 -5.801 1.00 0.00 C ATOM 385 CG ARG A 24 -8.685 -1.798 -5.515 1.00 0.00 C ATOM 386 CD ARG A 24 -8.381 -0.757 -6.611 1.00 0.00 C ATOM 387 NE ARG A 24 -8.628 -1.273 -7.979 1.00 0.00 N ATOM 388 CZ ARG A 24 -9.762 -1.134 -8.691 1.00 0.00 C ATOM 389 NH1 ARG A 24 -10.859 -0.622 -8.151 1.00 0.00 N ATOM 390 NH2 ARG A 24 -9.785 -1.533 -9.957 1.00 0.00 N ATOM 0 H ARG A 24 -6.507 -5.277 -6.273 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.118 -2.313 -6.264 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -8.430 -3.532 -6.766 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.423 -3.884 -5.049 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.765 -1.906 -5.415 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.311 -1.430 -4.560 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.995 0.128 -6.445 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -7.340 -0.443 -6.529 1.00 0.00 H new ATOM 0 HE ARG A 24 -7.865 -1.783 -8.424 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.856 -0.323 -7.176 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -11.706 -0.527 -8.711 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.950 -1.939 -10.379 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -10.638 -1.433 -10.508 1.00 0.00 H new ATOM 404 N ILE A 25 -5.401 -2.180 -3.876 1.00 0.00 N ATOM 405 CA ILE A 25 -4.850 -2.085 -2.504 1.00 0.00 C ATOM 406 C ILE A 25 -5.358 -0.808 -1.807 1.00 0.00 C ATOM 407 O ILE A 25 -5.553 0.212 -2.454 1.00 0.00 O ATOM 408 CB ILE A 25 -3.271 -2.107 -2.525 1.00 0.00 C ATOM 409 CG1 ILE A 25 -2.674 -2.136 -1.073 1.00 0.00 C ATOM 410 CG2 ILE A 25 -2.698 -0.914 -3.345 1.00 0.00 C ATOM 411 CD1 ILE A 25 -1.170 -2.342 -1.003 1.00 0.00 C ATOM 0 H ILE A 25 -5.340 -1.308 -4.401 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.195 -2.952 -1.941 1.00 0.00 H new ATOM 0 HB ILE A 25 -2.967 -3.028 -3.022 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -2.921 -1.198 -0.576 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.162 -2.933 -0.511 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.609 -0.959 -3.340 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -3.058 -0.972 -4.372 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.025 0.025 -2.898 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.852 -2.348 0.039 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -0.911 -3.294 -1.466 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.667 -1.532 -1.532 1.00 0.00 H new ATOM 423 N ASN A 26 -5.607 -0.892 -0.492 1.00 0.00 N ATOM 424 CA ASN A 26 -5.926 0.277 0.341 1.00 0.00 C ATOM 425 C ASN A 26 -4.634 0.787 0.973 1.00 0.00 C ATOM 426 O ASN A 26 -4.071 0.135 1.860 1.00 0.00 O ATOM 427 CB ASN A 26 -6.954 -0.078 1.442 1.00 0.00 C ATOM 428 CG ASN A 26 -8.287 -0.539 0.867 1.00 0.00 C ATOM 429 OD1 ASN A 26 -9.164 0.272 0.578 1.00 0.00 O ATOM 430 ND2 ASN A 26 -8.458 -1.835 0.706 1.00 0.00 N ATOM 0 H ASN A 26 -5.593 -1.772 0.024 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.373 1.050 -0.285 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.545 -0.863 2.077 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -7.117 0.793 2.077 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -9.338 -2.191 0.332 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -7.711 -2.483 0.955 1.00 0.00 H new ATOM 437 N VAL A 27 -4.155 1.934 0.490 1.00 0.00 N ATOM 438 CA VAL A 27 -2.906 2.539 0.951 1.00 0.00 C ATOM 439 C VAL A 27 -3.213 3.508 2.096 1.00 0.00 C ATOM 440 O VAL A 27 -3.831 4.564 1.886 1.00 0.00 O ATOM 441 CB VAL A 27 -2.183 3.289 -0.227 1.00 0.00 C ATOM 442 CG1 VAL A 27 -0.871 3.964 0.231 1.00 0.00 C ATOM 443 CG2 VAL A 27 -1.931 2.329 -1.404 1.00 0.00 C ATOM 0 H VAL A 27 -4.626 2.472 -0.237 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.237 1.756 1.307 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.847 4.085 -0.564 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.407 4.469 -0.616 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.090 4.692 1.012 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.189 3.208 0.620 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.430 2.865 -2.210 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.302 1.503 -1.072 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.882 1.938 -1.765 1.00 0.00 H new ATOM 453 N VAL A 28 -2.828 3.112 3.315 1.00 0.00 N ATOM 454 CA VAL A 28 -3.002 3.924 4.523 1.00 0.00 C ATOM 455 C VAL A 28 -1.629 4.459 4.958 1.00 0.00 C ATOM 456 O VAL A 28 -0.831 3.728 5.541 1.00 0.00 O ATOM 457 CB VAL A 28 -3.655 3.098 5.697 1.00 0.00 C ATOM 458 CG1 VAL A 28 -3.887 3.975 6.945 1.00 0.00 C ATOM 459 CG2 VAL A 28 -4.969 2.423 5.242 1.00 0.00 C ATOM 0 H VAL A 28 -2.383 2.211 3.491 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.678 4.748 4.293 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.952 2.312 5.973 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.338 3.373 7.734 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.934 4.373 7.292 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.553 4.799 6.692 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.396 1.861 6.073 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.677 3.186 4.918 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.762 1.745 4.414 1.00 0.00 H new ATOM 469 N ASP A 29 -1.340 5.716 4.608 1.00 0.00 N ATOM 470 CA ASP A 29 -0.129 6.419 5.049 1.00 0.00 C ATOM 471 C ASP A 29 -0.110 6.473 6.598 1.00 0.00 C ATOM 472 O ASP A 29 -1.006 7.080 7.193 1.00 0.00 O ATOM 473 CB ASP A 29 -0.112 7.848 4.453 1.00 0.00 C ATOM 474 CG ASP A 29 1.240 8.573 4.554 1.00 0.00 C ATOM 475 OD1 ASP A 29 1.786 8.666 5.659 1.00 0.00 O ATOM 476 OD2 ASP A 29 1.716 9.136 3.547 1.00 0.00 O ATOM 0 H ASP A 29 -1.942 6.279 4.007 1.00 0.00 H new ATOM 0 HA ASP A 29 0.758 5.889 4.702 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -0.401 7.792 3.403 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -0.868 8.447 4.960 1.00 0.00 H new ATOM 481 N PRO A 30 0.893 5.831 7.268 1.00 0.00 N ATOM 482 CA PRO A 30 0.892 5.684 8.742 1.00 0.00 C ATOM 483 C PRO A 30 1.220 6.984 9.502 1.00 0.00 C ATOM 484 O PRO A 30 0.825 7.129 10.665 1.00 0.00 O ATOM 485 CB PRO A 30 1.960 4.586 8.975 1.00 0.00 C ATOM 486 CG PRO A 30 2.926 4.757 7.840 1.00 0.00 C ATOM 487 CD PRO A 30 2.092 5.196 6.652 1.00 0.00 C ATOM 0 HA PRO A 30 -0.095 5.428 9.126 1.00 0.00 H new ATOM 0 HB2 PRO A 30 2.454 4.710 9.939 1.00 0.00 H new ATOM 0 HB3 PRO A 30 1.514 3.591 8.971 1.00 0.00 H new ATOM 0 HG2 PRO A 30 3.685 5.501 8.081 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.449 3.825 7.628 1.00 0.00 H new ATOM 0 HD2 PRO A 30 2.636 5.899 6.021 1.00 0.00 H new ATOM 0 HD3 PRO A 30 1.817 4.349 6.023 1.00 0.00 H new ATOM 495 N GLU A 31 1.926 7.936 8.847 1.00 0.00 N ATOM 496 CA GLU A 31 2.368 9.183 9.507 1.00 0.00 C ATOM 497 C GLU A 31 1.333 10.317 9.340 1.00 0.00 C ATOM 498 O GLU A 31 0.951 10.955 10.330 1.00 0.00 O ATOM 499 CB GLU A 31 3.785 9.627 9.026 1.00 0.00 C ATOM 500 CG GLU A 31 3.937 9.867 7.515 1.00 0.00 C ATOM 501 CD GLU A 31 5.367 10.208 7.082 1.00 0.00 C ATOM 502 OE1 GLU A 31 5.807 11.354 7.293 1.00 0.00 O ATOM 503 OE2 GLU A 31 6.063 9.320 6.539 1.00 0.00 O ATOM 0 H GLU A 31 2.200 7.863 7.867 1.00 0.00 H new ATOM 0 HA GLU A 31 2.444 8.966 10.573 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.054 10.545 9.549 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.505 8.866 9.328 1.00 0.00 H new ATOM 0 HG2 GLU A 31 3.609 8.976 6.980 1.00 0.00 H new ATOM 0 HG3 GLU A 31 3.274 10.679 7.217 1.00 0.00 H new ATOM 510 N THR A 32 0.882 10.568 8.095 1.00 0.00 N ATOM 511 CA THR A 32 -0.055 11.675 7.791 1.00 0.00 C ATOM 512 C THR A 32 -1.518 11.210 7.867 1.00 0.00 C ATOM 513 O THR A 32 -2.401 11.982 8.264 1.00 0.00 O ATOM 514 CB THR A 32 0.233 12.289 6.382 1.00 0.00 C ATOM 515 OG1 THR A 32 0.129 11.281 5.374 1.00 0.00 O ATOM 516 CG2 THR A 32 1.635 12.923 6.310 1.00 0.00 C ATOM 0 H THR A 32 1.151 10.018 7.279 1.00 0.00 H new ATOM 0 HA THR A 32 0.103 12.444 8.547 1.00 0.00 H new ATOM 0 HB THR A 32 -0.509 13.069 6.213 1.00 0.00 H new ATOM 0 HG1 THR A 32 -0.099 10.424 5.791 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.796 13.338 5.315 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.713 13.718 7.052 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.389 12.162 6.512 1.00 0.00 H new ATOM 524 N GLY A 33 -1.768 9.940 7.504 1.00 0.00 N ATOM 525 CA GLY A 33 -3.112 9.356 7.588 1.00 0.00 C ATOM 526 C GLY A 33 -3.892 9.401 6.282 1.00 0.00 C ATOM 527 O GLY A 33 -5.128 9.370 6.314 1.00 0.00 O ATOM 0 H GLY A 33 -1.056 9.301 7.150 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.026 8.319 7.912 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.678 9.884 8.355 1.00 0.00 H new ATOM 531 N LYS A 34 -3.179 9.532 5.133 1.00 0.00 N ATOM 532 CA LYS A 34 -3.791 9.336 3.793 1.00 0.00 C ATOM 533 C LYS A 34 -4.417 7.930 3.708 1.00 0.00 C ATOM 534 O LYS A 34 -3.699 6.940 3.633 1.00 0.00 O ATOM 535 CB LYS A 34 -2.749 9.451 2.643 1.00 0.00 C ATOM 536 CG LYS A 34 -1.904 10.736 2.602 1.00 0.00 C ATOM 537 CD LYS A 34 -0.862 10.685 1.448 1.00 0.00 C ATOM 538 CE LYS A 34 0.112 11.867 1.457 1.00 0.00 C ATOM 539 NZ LYS A 34 0.911 11.911 2.703 1.00 0.00 N ATOM 0 H LYS A 34 -2.188 9.771 5.107 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.540 10.119 3.674 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -2.071 8.600 2.712 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -3.278 9.361 1.694 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.556 11.599 2.469 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -1.390 10.868 3.554 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -0.296 9.756 1.520 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -1.388 10.664 0.494 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.780 11.794 0.599 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.445 12.798 1.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.570 12.714 2.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.276 12.023 3.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.449 11.026 2.802 1.00 0.00 H new ATOM 553 N VAL A 35 -5.744 7.854 3.748 1.00 0.00 N ATOM 554 CA VAL A 35 -6.482 6.605 3.524 1.00 0.00 C ATOM 555 C VAL A 35 -7.170 6.714 2.160 1.00 0.00 C ATOM 556 O VAL A 35 -8.225 7.348 2.040 1.00 0.00 O ATOM 557 CB VAL A 35 -7.528 6.318 4.671 1.00 0.00 C ATOM 558 CG1 VAL A 35 -8.256 4.974 4.441 1.00 0.00 C ATOM 559 CG2 VAL A 35 -6.851 6.346 6.063 1.00 0.00 C ATOM 0 H VAL A 35 -6.344 8.657 3.937 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.789 5.763 3.537 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.274 7.112 4.643 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.970 4.804 5.247 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.785 5.005 3.488 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.527 4.164 4.425 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.595 6.145 6.834 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.072 5.585 6.104 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.409 7.328 6.233 1.00 0.00 H new ATOM 569 N GLU A 36 -6.532 6.132 1.132 1.00 0.00 N ATOM 570 CA GLU A 36 -7.006 6.190 -0.252 1.00 0.00 C ATOM 571 C GLU A 36 -6.712 4.858 -0.943 1.00 0.00 C ATOM 572 O GLU A 36 -5.688 4.218 -0.678 1.00 0.00 O ATOM 573 CB GLU A 36 -6.340 7.361 -1.017 1.00 0.00 C ATOM 574 CG GLU A 36 -6.862 7.552 -2.463 1.00 0.00 C ATOM 575 CD GLU A 36 -6.186 8.705 -3.211 1.00 0.00 C ATOM 576 OE1 GLU A 36 -5.095 8.497 -3.775 1.00 0.00 O ATOM 577 OE2 GLU A 36 -6.744 9.824 -3.243 1.00 0.00 O ATOM 0 H GLU A 36 -5.666 5.605 1.243 1.00 0.00 H new ATOM 0 HA GLU A 36 -8.082 6.366 -0.252 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.502 8.283 -0.459 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -5.264 7.193 -1.050 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.708 6.628 -3.021 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.937 7.731 -2.432 1.00 0.00 H new ATOM 584 N ILE A 37 -7.627 4.453 -1.830 1.00 0.00 N ATOM 585 CA ILE A 37 -7.513 3.207 -2.580 1.00 0.00 C ATOM 586 C ILE A 37 -6.656 3.457 -3.846 1.00 0.00 C ATOM 587 O ILE A 37 -6.868 4.436 -4.573 1.00 0.00 O ATOM 588 CB ILE A 37 -8.940 2.650 -2.964 1.00 0.00 C ATOM 589 CG1 ILE A 37 -9.898 2.680 -1.722 1.00 0.00 C ATOM 590 CG2 ILE A 37 -8.826 1.216 -3.535 1.00 0.00 C ATOM 591 CD1 ILE A 37 -11.332 2.281 -2.015 1.00 0.00 C ATOM 0 H ILE A 37 -8.470 4.986 -2.046 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.026 2.454 -1.960 1.00 0.00 H new ATOM 0 HB ILE A 37 -9.365 3.293 -3.735 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -9.499 2.014 -0.957 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -9.894 3.686 -1.302 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -9.819 0.848 -3.794 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -8.199 1.228 -4.427 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -8.380 0.561 -2.787 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -11.918 2.332 -1.098 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -11.755 2.961 -2.754 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -11.354 1.263 -2.404 1.00 0.00 H new ATOM 603 N ALA A 38 -5.704 2.558 -4.083 1.00 0.00 N ATOM 604 CA ALA A 38 -4.728 2.623 -5.183 1.00 0.00 C ATOM 605 C ALA A 38 -4.696 1.283 -5.921 1.00 0.00 C ATOM 606 O ALA A 38 -5.344 0.315 -5.499 1.00 0.00 O ATOM 607 CB ALA A 38 -3.337 2.974 -4.631 1.00 0.00 C ATOM 0 H ALA A 38 -5.581 1.732 -3.497 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.024 3.402 -5.886 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -2.621 3.020 -5.452 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.378 3.941 -4.130 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.025 2.210 -3.919 1.00 0.00 H new ATOM 613 N GLU A 39 -3.952 1.237 -7.032 1.00 0.00 N ATOM 614 CA GLU A 39 -3.722 -0.003 -7.796 1.00 0.00 C ATOM 615 C GLU A 39 -2.210 -0.253 -7.895 1.00 0.00 C ATOM 616 O GLU A 39 -1.423 0.694 -8.049 1.00 0.00 O ATOM 617 CB GLU A 39 -4.363 0.057 -9.211 1.00 0.00 C ATOM 618 CG GLU A 39 -5.895 0.273 -9.202 1.00 0.00 C ATOM 619 CD GLU A 39 -6.567 -0.026 -10.550 1.00 0.00 C ATOM 620 OE1 GLU A 39 -6.636 0.872 -11.420 1.00 0.00 O ATOM 621 OE2 GLU A 39 -7.025 -1.176 -10.750 1.00 0.00 O ATOM 0 H GLU A 39 -3.491 2.055 -7.430 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.201 -0.829 -7.270 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.896 0.864 -9.776 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.141 -0.871 -9.738 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.338 -0.363 -8.436 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.106 1.305 -8.921 1.00 0.00 H new ATOM 628 N ILE A 40 -1.814 -1.530 -7.786 1.00 0.00 N ATOM 629 CA ILE A 40 -0.401 -1.933 -7.787 1.00 0.00 C ATOM 630 C ILE A 40 0.116 -2.044 -9.236 1.00 0.00 C ATOM 631 O ILE A 40 -0.355 -2.882 -10.011 1.00 0.00 O ATOM 632 CB ILE A 40 -0.218 -3.282 -6.990 1.00 0.00 C ATOM 633 CG1 ILE A 40 -0.691 -3.073 -5.509 1.00 0.00 C ATOM 634 CG2 ILE A 40 1.248 -3.796 -7.052 1.00 0.00 C ATOM 635 CD1 ILE A 40 -0.658 -4.299 -4.622 1.00 0.00 C ATOM 0 H ILE A 40 -2.464 -2.311 -7.695 1.00 0.00 H new ATOM 0 HA ILE A 40 0.194 -1.172 -7.282 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.833 -4.052 -7.457 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.067 -2.303 -5.055 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.711 -2.688 -5.525 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.331 -4.727 -6.491 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.528 -3.972 -8.091 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.914 -3.050 -6.618 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.006 -4.035 -3.623 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.307 -5.068 -5.041 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.362 -4.678 -4.563 1.00 0.00 H new ATOM 647 N ARG A 41 1.062 -1.152 -9.582 1.00 0.00 N ATOM 648 CA ARG A 41 1.695 -1.092 -10.911 1.00 0.00 C ATOM 649 C ARG A 41 2.735 -2.220 -11.054 1.00 0.00 C ATOM 650 O ARG A 41 2.727 -2.976 -12.027 1.00 0.00 O ATOM 651 CB ARG A 41 2.377 0.290 -11.107 1.00 0.00 C ATOM 652 CG ARG A 41 1.442 1.506 -10.905 1.00 0.00 C ATOM 653 CD ARG A 41 2.148 2.853 -11.147 1.00 0.00 C ATOM 654 NE ARG A 41 2.630 2.983 -12.534 1.00 0.00 N ATOM 655 CZ ARG A 41 3.886 3.281 -12.901 1.00 0.00 C ATOM 656 NH1 ARG A 41 4.840 3.404 -11.997 1.00 0.00 N ATOM 657 NH2 ARG A 41 4.182 3.400 -14.186 1.00 0.00 N ATOM 0 H ARG A 41 1.412 -0.443 -8.937 1.00 0.00 H new ATOM 0 HA ARG A 41 0.929 -1.223 -11.676 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.211 0.370 -10.410 1.00 0.00 H new ATOM 0 HB3 ARG A 41 2.796 0.334 -12.112 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.592 1.420 -11.582 1.00 0.00 H new ATOM 0 HG3 ARG A 41 1.044 1.487 -9.890 1.00 0.00 H new ATOM 0 HD2 ARG A 41 1.459 3.668 -10.925 1.00 0.00 H new ATOM 0 HD3 ARG A 41 2.989 2.950 -10.460 1.00 0.00 H new ATOM 0 HE ARG A 41 1.950 2.834 -13.279 1.00 0.00 H new ATOM 0 HH11 ARG A 41 4.626 3.272 -11.008 1.00 0.00 H new ATOM 0 HH12 ARG A 41 5.791 3.631 -12.287 1.00 0.00 H new ATOM 0 HH21 ARG A 41 3.457 3.265 -14.891 1.00 0.00 H new ATOM 0 HH22 ARG A 41 5.135 3.626 -14.471 1.00 0.00 H new ATOM 671 N ASN A 42 3.610 -2.333 -10.053 1.00 0.00 N ATOM 672 CA ASN A 42 4.689 -3.345 -10.013 1.00 0.00 C ATOM 673 C ASN A 42 4.876 -3.819 -8.561 1.00 0.00 C ATOM 674 O ASN A 42 4.316 -3.226 -7.650 1.00 0.00 O ATOM 675 CB ASN A 42 5.998 -2.726 -10.587 1.00 0.00 C ATOM 676 CG ASN A 42 7.159 -3.720 -10.761 1.00 0.00 C ATOM 677 OD1 ASN A 42 6.954 -4.918 -10.977 1.00 0.00 O ATOM 678 ND2 ASN A 42 8.383 -3.228 -10.681 1.00 0.00 N ATOM 0 H ASN A 42 3.597 -1.723 -9.236 1.00 0.00 H new ATOM 0 HA ASN A 42 4.429 -4.209 -10.625 1.00 0.00 H new ATOM 0 HB2 ASN A 42 5.776 -2.275 -11.554 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.323 -1.922 -9.927 1.00 0.00 H new ATOM 0 HD21 ASN A 42 9.188 -3.843 -10.799 1.00 0.00 H new ATOM 0 HD22 ASN A 42 8.522 -2.234 -10.501 1.00 0.00 H new ATOM 685 N VAL A 43 5.611 -4.916 -8.351 1.00 0.00 N ATOM 686 CA VAL A 43 6.038 -5.356 -7.009 1.00 0.00 C ATOM 687 C VAL A 43 7.539 -5.705 -7.052 1.00 0.00 C ATOM 688 O VAL A 43 7.968 -6.588 -7.801 1.00 0.00 O ATOM 689 CB VAL A 43 5.157 -6.559 -6.473 1.00 0.00 C ATOM 690 CG1 VAL A 43 5.110 -7.750 -7.461 1.00 0.00 C ATOM 691 CG2 VAL A 43 5.619 -7.017 -5.067 1.00 0.00 C ATOM 0 H VAL A 43 5.929 -5.527 -9.103 1.00 0.00 H new ATOM 0 HA VAL A 43 5.886 -4.542 -6.300 1.00 0.00 H new ATOM 0 HB VAL A 43 4.138 -6.181 -6.388 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.493 -8.545 -7.043 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.684 -7.420 -8.409 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.120 -8.124 -7.628 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.993 -7.843 -4.730 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.658 -7.344 -5.114 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.531 -6.186 -4.367 1.00 0.00 H new ATOM 914 N ILE A 57 3.295 -11.715 -7.829 1.00 0.00 N ATOM 915 CA ILE A 57 3.108 -12.497 -6.594 1.00 0.00 C ATOM 916 C ILE A 57 3.316 -11.579 -5.378 1.00 0.00 C ATOM 917 O ILE A 57 4.447 -11.226 -5.015 1.00 0.00 O ATOM 918 CB ILE A 57 4.057 -13.748 -6.528 1.00 0.00 C ATOM 919 CG1 ILE A 57 3.817 -14.685 -7.757 1.00 0.00 C ATOM 920 CG2 ILE A 57 3.882 -14.532 -5.195 1.00 0.00 C ATOM 921 CD1 ILE A 57 2.386 -15.178 -7.942 1.00 0.00 C ATOM 0 HA ILE A 57 2.090 -12.887 -6.588 1.00 0.00 H new ATOM 0 HB ILE A 57 5.084 -13.386 -6.562 1.00 0.00 H new ATOM 0 HG12 ILE A 57 4.119 -14.154 -8.660 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.471 -15.552 -7.663 1.00 0.00 H new ATOM 0 HG21 ILE A 57 4.555 -15.390 -5.186 1.00 0.00 H new ATOM 0 HG22 ILE A 57 4.117 -13.878 -4.355 1.00 0.00 H new ATOM 0 HG23 ILE A 57 2.852 -14.878 -5.109 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.333 -15.819 -8.822 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.079 -15.744 -7.062 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.721 -14.324 -8.074 1.00 0.00 H new ATOM 933 N ILE A 58 2.188 -11.166 -4.802 1.00 0.00 N ATOM 934 CA ILE A 58 2.123 -10.235 -3.674 1.00 0.00 C ATOM 935 C ILE A 58 1.909 -11.027 -2.374 1.00 0.00 C ATOM 936 O ILE A 58 0.949 -11.796 -2.250 1.00 0.00 O ATOM 937 CB ILE A 58 0.955 -9.214 -3.913 1.00 0.00 C ATOM 938 CG1 ILE A 58 1.188 -8.455 -5.262 1.00 0.00 C ATOM 939 CG2 ILE A 58 0.806 -8.218 -2.737 1.00 0.00 C ATOM 940 CD1 ILE A 58 0.022 -7.623 -5.724 1.00 0.00 C ATOM 0 H ILE A 58 1.269 -11.478 -5.115 1.00 0.00 H new ATOM 0 HA ILE A 58 3.056 -9.678 -3.588 1.00 0.00 H new ATOM 0 HB ILE A 58 0.022 -9.774 -3.972 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.058 -7.808 -5.154 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.427 -9.184 -6.037 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.014 -7.530 -2.944 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.595 -8.767 -1.819 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.731 -7.654 -2.618 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.274 -7.134 -6.665 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.848 -8.264 -5.869 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.206 -6.867 -4.973 1.00 0.00 H new ATOM 952 N THR A 59 2.826 -10.846 -1.428 1.00 0.00 N ATOM 953 CA THR A 59 2.806 -11.508 -0.115 1.00 0.00 C ATOM 954 C THR A 59 2.778 -10.444 0.988 1.00 0.00 C ATOM 955 O THR A 59 2.977 -9.257 0.707 1.00 0.00 O ATOM 956 CB THR A 59 4.065 -12.416 0.032 1.00 0.00 C ATOM 957 OG1 THR A 59 5.245 -11.633 -0.211 1.00 0.00 O ATOM 958 CG2 THR A 59 4.041 -13.614 -0.940 1.00 0.00 C ATOM 0 H THR A 59 3.624 -10.222 -1.550 1.00 0.00 H new ATOM 0 HA THR A 59 1.916 -12.131 -0.027 1.00 0.00 H new ATOM 0 HB THR A 59 4.067 -12.814 1.047 1.00 0.00 H new ATOM 0 HG1 THR A 59 6.039 -12.200 -0.118 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.939 -14.215 -0.798 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.160 -14.225 -0.743 1.00 0.00 H new ATOM 0 HG23 THR A 59 4.007 -13.249 -1.967 1.00 0.00 H new ATOM 966 N ARG A 60 2.513 -10.861 2.237 1.00 0.00 N ATOM 967 CA ARG A 60 2.541 -9.947 3.391 1.00 0.00 C ATOM 968 C ARG A 60 4.006 -9.619 3.755 1.00 0.00 C ATOM 969 O ARG A 60 4.841 -10.525 3.891 1.00 0.00 O ATOM 970 CB ARG A 60 1.766 -10.553 4.594 1.00 0.00 C ATOM 971 CG ARG A 60 1.675 -9.626 5.828 1.00 0.00 C ATOM 972 CD ARG A 60 0.799 -10.218 6.942 1.00 0.00 C ATOM 973 NE ARG A 60 1.288 -11.528 7.396 1.00 0.00 N ATOM 974 CZ ARG A 60 0.651 -12.330 8.274 1.00 0.00 C ATOM 975 NH1 ARG A 60 -0.507 -11.968 8.830 1.00 0.00 N ATOM 976 NH2 ARG A 60 1.180 -13.498 8.595 1.00 0.00 N ATOM 0 H ARG A 60 2.277 -11.825 2.473 1.00 0.00 H new ATOM 0 HA ARG A 60 2.039 -9.016 3.128 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.757 -10.806 4.270 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.249 -11.484 4.889 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.677 -9.443 6.216 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.269 -8.661 5.525 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.773 -9.529 7.786 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -0.225 -10.319 6.582 1.00 0.00 H new ATOM 0 HE ARG A 60 2.177 -11.856 7.018 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.927 -11.069 8.593 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.972 -12.590 9.492 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.065 -13.788 8.179 1.00 0.00 H new ATOM 0 HH22 ARG A 60 0.703 -14.109 9.258 1.00 0.00 H new ATOM 990 N GLY A 61 4.293 -8.312 3.905 1.00 0.00 N ATOM 991 CA GLY A 61 5.655 -7.800 4.100 1.00 0.00 C ATOM 992 C GLY A 61 6.333 -7.389 2.803 1.00 0.00 C ATOM 993 O GLY A 61 7.487 -6.943 2.827 1.00 0.00 O ATOM 0 H GLY A 61 3.581 -7.582 3.894 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.621 -6.942 4.772 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.257 -8.565 4.590 1.00 0.00 H new ATOM 997 N ALA A 62 5.621 -7.545 1.671 1.00 0.00 N ATOM 998 CA ALA A 62 6.145 -7.184 0.342 1.00 0.00 C ATOM 999 C ALA A 62 6.094 -5.661 0.125 1.00 0.00 C ATOM 1000 O ALA A 62 5.215 -4.975 0.667 1.00 0.00 O ATOM 1001 CB ALA A 62 5.360 -7.908 -0.768 1.00 0.00 C ATOM 0 H ALA A 62 4.673 -7.922 1.652 1.00 0.00 H new ATOM 0 HA ALA A 62 7.186 -7.502 0.295 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.763 -7.627 -1.741 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.451 -8.986 -0.635 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.309 -7.624 -0.715 1.00 0.00 H new ATOM 1007 N VAL A 63 7.039 -5.149 -0.676 1.00 0.00 N ATOM 1008 CA VAL A 63 7.067 -3.747 -1.097 1.00 0.00 C ATOM 1009 C VAL A 63 6.476 -3.683 -2.507 1.00 0.00 C ATOM 1010 O VAL A 63 7.078 -4.178 -3.476 1.00 0.00 O ATOM 1011 CB VAL A 63 8.528 -3.154 -1.103 1.00 0.00 C ATOM 1012 CG1 VAL A 63 8.538 -1.652 -1.492 1.00 0.00 C ATOM 1013 CG2 VAL A 63 9.224 -3.370 0.259 1.00 0.00 C ATOM 0 H VAL A 63 7.809 -5.702 -1.051 1.00 0.00 H new ATOM 0 HA VAL A 63 6.490 -3.150 -0.391 1.00 0.00 H new ATOM 0 HB VAL A 63 9.091 -3.696 -1.863 1.00 0.00 H new ATOM 0 HG11 VAL A 63 9.563 -1.281 -1.484 1.00 0.00 H new ATOM 0 HG12 VAL A 63 8.116 -1.532 -2.490 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.942 -1.087 -0.775 1.00 0.00 H new ATOM 0 HG21 VAL A 63 10.230 -2.951 0.224 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.651 -2.875 1.043 1.00 0.00 H new ATOM 0 HG23 VAL A 63 9.283 -4.437 0.472 1.00 0.00 H new ATOM 1023 N VAL A 64 5.289 -3.094 -2.605 1.00 0.00 N ATOM 1024 CA VAL A 64 4.571 -2.947 -3.866 1.00 0.00 C ATOM 1025 C VAL A 64 4.675 -1.495 -4.339 1.00 0.00 C ATOM 1026 O VAL A 64 4.646 -0.560 -3.545 1.00 0.00 O ATOM 1027 CB VAL A 64 3.069 -3.398 -3.738 1.00 0.00 C ATOM 1028 CG1 VAL A 64 2.964 -4.906 -3.410 1.00 0.00 C ATOM 1029 CG2 VAL A 64 2.288 -2.560 -2.699 1.00 0.00 C ATOM 0 H VAL A 64 4.794 -2.702 -1.804 1.00 0.00 H new ATOM 0 HA VAL A 64 5.030 -3.601 -4.608 1.00 0.00 H new ATOM 0 HB VAL A 64 2.607 -3.221 -4.709 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.914 -5.188 -3.328 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.434 -5.485 -4.205 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.469 -5.109 -2.466 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.257 -2.911 -2.649 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.756 -2.666 -1.720 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.300 -1.511 -2.995 1.00 0.00 H new ATOM 1039 N GLU A 65 4.809 -1.331 -5.636 1.00 0.00 N ATOM 1040 CA GLU A 65 4.959 -0.032 -6.296 1.00 0.00 C ATOM 1041 C GLU A 65 3.590 0.325 -6.901 1.00 0.00 C ATOM 1042 O GLU A 65 3.054 -0.435 -7.708 1.00 0.00 O ATOM 1043 CB GLU A 65 6.103 -0.152 -7.350 1.00 0.00 C ATOM 1044 CG GLU A 65 6.543 1.160 -8.057 1.00 0.00 C ATOM 1045 CD GLU A 65 5.635 1.571 -9.233 1.00 0.00 C ATOM 1046 OE1 GLU A 65 5.646 0.868 -10.264 1.00 0.00 O ATOM 1047 OE2 GLU A 65 4.930 2.595 -9.138 1.00 0.00 O ATOM 0 H GLU A 65 4.818 -2.114 -6.289 1.00 0.00 H new ATOM 0 HA GLU A 65 5.243 0.772 -5.617 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.975 -0.582 -6.858 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.787 -0.861 -8.115 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.560 1.967 -7.325 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.563 1.040 -8.423 1.00 0.00 H new ATOM 1054 N THR A 66 3.015 1.461 -6.473 1.00 0.00 N ATOM 1055 CA THR A 66 1.643 1.876 -6.859 1.00 0.00 C ATOM 1056 C THR A 66 1.687 3.280 -7.468 1.00 0.00 C ATOM 1057 O THR A 66 2.752 3.906 -7.523 1.00 0.00 O ATOM 1058 CB THR A 66 0.649 1.859 -5.629 1.00 0.00 C ATOM 1059 OG1 THR A 66 0.992 2.889 -4.683 1.00 0.00 O ATOM 1060 CG2 THR A 66 0.647 0.505 -4.887 1.00 0.00 C ATOM 0 H THR A 66 3.481 2.121 -5.851 1.00 0.00 H new ATOM 0 HA THR A 66 1.272 1.159 -7.591 1.00 0.00 H new ATOM 0 HB THR A 66 -0.345 2.032 -6.042 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.892 2.724 -4.331 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.052 0.549 -4.052 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.344 -0.286 -5.573 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.648 0.295 -4.511 1.00 0.00 H new ATOM 1068 N ASN A 67 0.514 3.794 -7.888 1.00 0.00 N ATOM 1069 CA ASN A 67 0.388 5.155 -8.462 1.00 0.00 C ATOM 1070 C ASN A 67 0.631 6.233 -7.388 1.00 0.00 C ATOM 1071 O ASN A 67 0.839 7.402 -7.720 1.00 0.00 O ATOM 1072 CB ASN A 67 -0.998 5.361 -9.130 1.00 0.00 C ATOM 1073 CG ASN A 67 -2.186 5.199 -8.167 1.00 0.00 C ATOM 1074 OD1 ASN A 67 -2.166 4.377 -7.252 1.00 0.00 O ATOM 1075 ND2 ASN A 67 -3.223 5.986 -8.357 1.00 0.00 N ATOM 0 H ASN A 67 -0.368 3.285 -7.841 1.00 0.00 H new ATOM 0 HA ASN A 67 1.153 5.256 -9.232 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -1.033 6.358 -9.570 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -1.106 4.648 -9.947 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -4.032 5.922 -7.739 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -3.218 6.660 -9.122 1.00 0.00 H new ATOM 1082 N LEU A 68 0.601 5.828 -6.102 1.00 0.00 N ATOM 1083 CA LEU A 68 0.907 6.714 -4.969 1.00 0.00 C ATOM 1084 C LEU A 68 2.395 6.583 -4.602 1.00 0.00 C ATOM 1085 O LEU A 68 3.088 7.589 -4.409 1.00 0.00 O ATOM 1086 CB LEU A 68 0.000 6.356 -3.765 1.00 0.00 C ATOM 1087 CG LEU A 68 -1.543 6.411 -4.040 1.00 0.00 C ATOM 1088 CD1 LEU A 68 -2.365 6.114 -2.766 1.00 0.00 C ATOM 1089 CD2 LEU A 68 -1.954 7.768 -4.660 1.00 0.00 C ATOM 0 H LEU A 68 0.363 4.876 -5.824 1.00 0.00 H new ATOM 0 HA LEU A 68 0.711 7.750 -5.245 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.255 5.352 -3.427 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.229 7.037 -2.945 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.768 5.627 -4.763 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.429 6.162 -3.000 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.119 5.118 -2.398 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.128 6.852 -2.000 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.029 7.775 -4.839 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.695 8.575 -3.974 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.428 7.911 -5.604 1.00 0.00 H new ATOM 1101 N GLY A 69 2.863 5.327 -4.509 1.00 0.00 N ATOM 1102 CA GLY A 69 4.273 5.027 -4.264 1.00 0.00 C ATOM 1103 C GLY A 69 4.466 3.625 -3.708 1.00 0.00 C ATOM 1104 O GLY A 69 3.636 2.742 -3.944 1.00 0.00 O ATOM 0 H GLY A 69 2.274 4.499 -4.602 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.833 5.129 -5.194 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.683 5.755 -3.564 1.00 0.00 H new ATOM 1108 N ASN A 70 5.568 3.414 -2.982 1.00 0.00 N ATOM 1109 CA ASN A 70 5.875 2.119 -2.352 1.00 0.00 C ATOM 1110 C ASN A 70 5.033 1.921 -1.089 1.00 0.00 C ATOM 1111 O ASN A 70 4.936 2.822 -0.259 1.00 0.00 O ATOM 1112 CB ASN A 70 7.381 2.013 -2.020 1.00 0.00 C ATOM 1113 CG ASN A 70 8.277 2.051 -3.263 1.00 0.00 C ATOM 1114 OD1 ASN A 70 9.331 2.664 -3.246 1.00 0.00 O ATOM 1115 ND2 ASN A 70 7.890 1.358 -4.330 1.00 0.00 N ATOM 0 H ASN A 70 6.273 4.132 -2.813 1.00 0.00 H new ATOM 0 HA ASN A 70 5.625 1.330 -3.061 1.00 0.00 H new ATOM 0 HB2 ASN A 70 7.658 2.831 -1.355 1.00 0.00 H new ATOM 0 HB3 ASN A 70 7.562 1.085 -1.477 1.00 0.00 H new ATOM 0 HD21 ASN A 70 8.480 1.330 -5.162 1.00 0.00 H new ATOM 0 HD22 ASN A 70 7.003 0.854 -4.317 1.00 0.00 H new ATOM 1122 N VAL A 71 4.380 0.752 -0.985 1.00 0.00 N ATOM 1123 CA VAL A 71 3.494 0.389 0.134 1.00 0.00 C ATOM 1124 C VAL A 71 3.920 -0.987 0.700 1.00 0.00 C ATOM 1125 O VAL A 71 4.293 -1.873 -0.067 1.00 0.00 O ATOM 1126 CB VAL A 71 1.996 0.320 -0.373 1.00 0.00 C ATOM 1127 CG1 VAL A 71 0.989 0.080 0.771 1.00 0.00 C ATOM 1128 CG2 VAL A 71 1.613 1.576 -1.186 1.00 0.00 C ATOM 0 H VAL A 71 4.454 0.018 -1.690 1.00 0.00 H new ATOM 0 HA VAL A 71 3.570 1.142 0.918 1.00 0.00 H new ATOM 0 HB VAL A 71 1.940 -0.545 -1.034 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.022 0.042 0.364 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.217 -0.865 1.265 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.059 0.893 1.494 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.578 1.493 -1.517 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.724 2.462 -0.561 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.266 1.661 -2.054 1.00 0.00 H new ATOM 1138 N ARG A 72 3.888 -1.152 2.038 1.00 0.00 N ATOM 1139 CA ARG A 72 4.064 -2.477 2.676 1.00 0.00 C ATOM 1140 C ARG A 72 2.702 -3.157 2.713 1.00 0.00 C ATOM 1141 O ARG A 72 1.736 -2.543 3.136 1.00 0.00 O ATOM 1142 CB ARG A 72 4.628 -2.393 4.138 1.00 0.00 C ATOM 1143 CG ARG A 72 6.167 -2.444 4.298 1.00 0.00 C ATOM 1144 CD ARG A 72 6.815 -3.650 3.577 1.00 0.00 C ATOM 1145 NE ARG A 72 8.196 -3.933 4.030 1.00 0.00 N ATOM 1146 CZ ARG A 72 9.276 -3.139 3.878 1.00 0.00 C ATOM 1147 NH1 ARG A 72 9.185 -1.955 3.306 1.00 0.00 N ATOM 1148 NH2 ARG A 72 10.463 -3.564 4.288 1.00 0.00 N ATOM 0 H ARG A 72 3.742 -0.388 2.698 1.00 0.00 H new ATOM 0 HA ARG A 72 4.793 -3.036 2.090 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.271 -1.466 4.587 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.199 -3.213 4.715 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.597 -1.522 3.908 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.414 -2.487 5.359 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.199 -4.535 3.739 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.824 -3.460 2.504 1.00 0.00 H new ATOM 0 HE ARG A 72 8.347 -4.822 4.507 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.283 -1.621 2.967 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.016 -1.373 3.203 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.555 -4.486 4.715 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.284 -2.969 4.176 1.00 0.00 H new ATOM 1162 N VAL A 73 2.640 -4.415 2.284 1.00 0.00 N ATOM 1163 CA VAL A 73 1.427 -5.231 2.400 1.00 0.00 C ATOM 1164 C VAL A 73 1.294 -5.686 3.868 1.00 0.00 C ATOM 1165 O VAL A 73 2.095 -6.488 4.349 1.00 0.00 O ATOM 1166 CB VAL A 73 1.493 -6.459 1.429 1.00 0.00 C ATOM 1167 CG1 VAL A 73 0.227 -7.339 1.517 1.00 0.00 C ATOM 1168 CG2 VAL A 73 1.739 -5.983 -0.019 1.00 0.00 C ATOM 0 H VAL A 73 3.424 -4.899 1.847 1.00 0.00 H new ATOM 0 HA VAL A 73 0.551 -4.647 2.117 1.00 0.00 H new ATOM 0 HB VAL A 73 2.331 -7.082 1.741 1.00 0.00 H new ATOM 0 HG11 VAL A 73 0.318 -8.177 0.827 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.116 -7.716 2.534 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.648 -6.745 1.253 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.783 -6.846 -0.683 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.926 -5.327 -0.329 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.682 -5.439 -0.068 1.00 0.00 H new ATOM 1178 N THR A 74 0.299 -5.145 4.581 1.00 0.00 N ATOM 1179 CA THR A 74 0.134 -5.389 6.028 1.00 0.00 C ATOM 1180 C THR A 74 -0.969 -6.427 6.255 1.00 0.00 C ATOM 1181 O THR A 74 -0.837 -7.330 7.089 1.00 0.00 O ATOM 1182 CB THR A 74 -0.199 -4.069 6.791 1.00 0.00 C ATOM 1183 OG1 THR A 74 -1.410 -3.505 6.270 1.00 0.00 O ATOM 1184 CG2 THR A 74 0.942 -3.036 6.680 1.00 0.00 C ATOM 0 H THR A 74 -0.410 -4.531 4.181 1.00 0.00 H new ATOM 0 HA THR A 74 1.076 -5.771 6.421 1.00 0.00 H new ATOM 0 HB THR A 74 -0.322 -4.316 7.845 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.619 -2.677 6.751 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.669 -2.132 7.225 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.854 -3.454 7.105 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.110 -2.790 5.631 1.00 0.00 H new ATOM 1192 N SER A 75 -2.063 -6.271 5.498 1.00 0.00 N ATOM 1193 CA SER A 75 -3.162 -7.241 5.449 1.00 0.00 C ATOM 1194 C SER A 75 -2.925 -8.189 4.271 1.00 0.00 C ATOM 1195 O SER A 75 -2.531 -7.734 3.188 1.00 0.00 O ATOM 1196 CB SER A 75 -4.511 -6.513 5.288 1.00 0.00 C ATOM 1197 OG SER A 75 -4.685 -5.539 6.303 1.00 0.00 O ATOM 0 H SER A 75 -2.210 -5.460 4.897 1.00 0.00 H new ATOM 0 HA SER A 75 -3.194 -7.810 6.378 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.557 -6.036 4.309 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.326 -7.236 5.329 1.00 0.00 H new ATOM 0 HG SER A 75 -5.605 -5.202 6.279 1.00 0.00 H new ATOM 1203 N ARG A 76 -3.152 -9.497 4.502 1.00 0.00 N ATOM 1204 CA ARG A 76 -2.946 -10.545 3.491 1.00 0.00 C ATOM 1205 C ARG A 76 -3.849 -10.299 2.252 1.00 0.00 C ATOM 1206 O ARG A 76 -5.045 -10.014 2.413 1.00 0.00 O ATOM 1207 CB ARG A 76 -3.211 -11.949 4.093 1.00 0.00 C ATOM 1208 CG ARG A 76 -2.188 -12.407 5.154 1.00 0.00 C ATOM 1209 CD ARG A 76 -2.410 -13.871 5.574 1.00 0.00 C ATOM 1210 NE ARG A 76 -2.404 -14.779 4.405 1.00 0.00 N ATOM 1211 CZ ARG A 76 -1.935 -16.031 4.384 1.00 0.00 C ATOM 1212 NH1 ARG A 76 -1.413 -16.592 5.471 1.00 0.00 N ATOM 1213 NH2 ARG A 76 -2.000 -16.715 3.259 1.00 0.00 N ATOM 0 H ARG A 76 -3.484 -9.854 5.398 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.906 -10.505 3.167 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.204 -11.954 4.542 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -3.224 -12.679 3.283 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -1.179 -12.292 4.758 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.262 -11.763 6.030 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.630 -14.172 6.273 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.361 -13.959 6.100 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.794 -14.416 3.535 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -1.365 -16.066 6.343 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.061 -17.549 5.432 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -2.403 -16.288 2.425 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -1.648 -17.671 3.223 1.00 0.00 H new ATOM 1227 N PRO A 77 -3.272 -10.379 1.007 1.00 0.00 N ATOM 1228 CA PRO A 77 -3.997 -10.102 -0.259 1.00 0.00 C ATOM 1229 C PRO A 77 -5.316 -10.891 -0.439 1.00 0.00 C ATOM 1230 O PRO A 77 -5.311 -12.126 -0.464 1.00 0.00 O ATOM 1231 CB PRO A 77 -2.964 -10.494 -1.356 1.00 0.00 C ATOM 1232 CG PRO A 77 -1.643 -10.273 -0.693 1.00 0.00 C ATOM 1233 CD PRO A 77 -1.843 -10.716 0.738 1.00 0.00 C ATOM 0 HA PRO A 77 -4.325 -9.063 -0.294 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.086 -11.531 -1.669 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.073 -9.877 -2.248 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -0.856 -10.851 -1.178 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -1.347 -9.225 -0.744 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -1.652 -11.782 0.859 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.172 -10.192 1.418 1.00 0.00 H new ATOM 1241 N GLY A 78 -6.439 -10.149 -0.507 1.00 0.00 N ATOM 1242 CA GLY A 78 -7.722 -10.693 -0.955 1.00 0.00 C ATOM 1243 C GLY A 78 -8.480 -11.521 0.077 1.00 0.00 C ATOM 1244 O GLY A 78 -9.361 -12.303 -0.303 1.00 0.00 O ATOM 0 H GLY A 78 -6.475 -9.162 -0.253 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -8.358 -9.865 -1.269 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -7.547 -11.312 -1.835 1.00 0.00 H new ATOM 1248 N GLN A 79 -8.173 -11.351 1.375 1.00 0.00 N ATOM 1249 CA GLN A 79 -8.894 -12.069 2.451 1.00 0.00 C ATOM 1250 C GLN A 79 -10.305 -11.480 2.642 1.00 0.00 C ATOM 1251 O GLN A 79 -11.290 -12.218 2.711 1.00 0.00 O ATOM 1252 CB GLN A 79 -8.105 -12.041 3.785 1.00 0.00 C ATOM 1253 CG GLN A 79 -6.705 -12.683 3.721 1.00 0.00 C ATOM 1254 CD GLN A 79 -6.691 -14.072 3.069 1.00 0.00 C ATOM 1255 OE1 GLN A 79 -6.464 -14.206 1.861 1.00 0.00 O ATOM 1256 NE2 GLN A 79 -6.952 -15.105 3.853 1.00 0.00 N ATOM 0 H GLN A 79 -7.437 -10.728 1.707 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.988 -13.112 2.147 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -8.000 -11.005 4.107 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -8.690 -12.554 4.548 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.038 -12.024 3.165 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -6.305 -12.762 4.732 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -7.135 -14.958 4.846 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -6.970 -16.048 3.465 1.00 0.00 H new ATOM 1265 N ASP A 80 -10.379 -10.140 2.733 1.00 0.00 N ATOM 1266 CA ASP A 80 -11.662 -9.388 2.718 1.00 0.00 C ATOM 1267 C ASP A 80 -12.112 -9.098 1.273 1.00 0.00 C ATOM 1268 O ASP A 80 -13.184 -8.532 1.056 1.00 0.00 O ATOM 1269 CB ASP A 80 -11.515 -8.056 3.504 1.00 0.00 C ATOM 1270 CG ASP A 80 -11.411 -8.267 5.018 1.00 0.00 C ATOM 1271 OD1 ASP A 80 -10.353 -8.711 5.495 1.00 0.00 O ATOM 1272 OD2 ASP A 80 -12.397 -8.021 5.743 1.00 0.00 O ATOM 0 H ASP A 80 -9.557 -9.542 2.819 1.00 0.00 H new ATOM 0 HA ASP A 80 -12.421 -10.004 3.199 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -10.628 -7.529 3.154 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -12.371 -7.416 3.289 1.00 0.00 H new ATOM 1277 N GLY A 81 -11.277 -9.486 0.301 1.00 0.00 N ATOM 1278 CA GLY A 81 -11.542 -9.258 -1.120 1.00 0.00 C ATOM 1279 C GLY A 81 -10.578 -8.255 -1.723 1.00 0.00 C ATOM 1280 O GLY A 81 -10.555 -8.069 -2.928 1.00 0.00 O ATOM 0 H GLY A 81 -10.396 -9.968 0.481 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -11.467 -10.202 -1.659 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -12.564 -8.900 -1.245 1.00 0.00 H new ATOM 1284 N VAL A 82 -9.780 -7.598 -0.875 1.00 0.00 N ATOM 1285 CA VAL A 82 -8.834 -6.555 -1.299 1.00 0.00 C ATOM 1286 C VAL A 82 -7.513 -6.685 -0.502 1.00 0.00 C ATOM 1287 O VAL A 82 -7.465 -7.385 0.518 1.00 0.00 O ATOM 1288 CB VAL A 82 -9.496 -5.138 -1.094 1.00 0.00 C ATOM 1289 CG1 VAL A 82 -9.736 -4.839 0.404 1.00 0.00 C ATOM 1290 CG2 VAL A 82 -8.700 -3.998 -1.783 1.00 0.00 C ATOM 0 H VAL A 82 -9.770 -7.774 0.130 1.00 0.00 H new ATOM 0 HA VAL A 82 -8.596 -6.674 -2.356 1.00 0.00 H new ATOM 0 HB VAL A 82 -10.467 -5.175 -1.587 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -10.193 -3.855 0.510 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -10.400 -5.595 0.824 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -8.784 -4.856 0.935 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -9.202 -3.046 -1.608 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -7.692 -3.957 -1.371 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -8.646 -4.188 -2.855 1.00 0.00 H new ATOM 1300 N ILE A 83 -6.447 -6.039 -0.992 1.00 0.00 N ATOM 1301 CA ILE A 83 -5.165 -5.927 -0.268 1.00 0.00 C ATOM 1302 C ILE A 83 -5.203 -4.622 0.552 1.00 0.00 C ATOM 1303 O ILE A 83 -5.862 -3.670 0.137 1.00 0.00 O ATOM 1304 CB ILE A 83 -3.952 -5.887 -1.281 1.00 0.00 C ATOM 1305 CG1 ILE A 83 -4.090 -7.012 -2.353 1.00 0.00 C ATOM 1306 CG2 ILE A 83 -2.594 -5.987 -0.546 1.00 0.00 C ATOM 1307 CD1 ILE A 83 -3.032 -7.008 -3.444 1.00 0.00 C ATOM 0 H ILE A 83 -6.445 -5.578 -1.902 1.00 0.00 H new ATOM 0 HA ILE A 83 -5.029 -6.791 0.382 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.978 -4.924 -1.790 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.062 -7.977 -1.847 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.070 -6.926 -2.821 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.783 -5.956 -1.274 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.492 -5.151 0.146 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -2.549 -6.924 0.008 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -3.220 -7.829 -4.136 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -3.070 -6.062 -3.984 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -2.046 -7.130 -2.995 1.00 0.00 H new ATOM 1319 N ASN A 84 -4.554 -4.586 1.729 1.00 0.00 N ATOM 1320 CA ASN A 84 -4.376 -3.330 2.513 1.00 0.00 C ATOM 1321 C ASN A 84 -2.905 -3.204 2.914 1.00 0.00 C ATOM 1322 O ASN A 84 -2.189 -4.214 3.002 1.00 0.00 O ATOM 1323 CB ASN A 84 -5.276 -3.269 3.790 1.00 0.00 C ATOM 1324 CG ASN A 84 -6.789 -3.226 3.529 1.00 0.00 C ATOM 1325 OD1 ASN A 84 -7.306 -3.824 2.592 1.00 0.00 O ATOM 1326 ND2 ASN A 84 -7.521 -2.514 4.368 1.00 0.00 N ATOM 0 H ASN A 84 -4.140 -5.409 2.167 1.00 0.00 H new ATOM 0 HA ASN A 84 -4.683 -2.500 1.876 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -5.056 -4.138 4.410 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -4.999 -2.387 4.367 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -8.531 -2.456 4.241 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -7.076 -2.022 5.143 1.00 0.00 H new ATOM 1333 N GLY A 85 -2.466 -1.962 3.183 1.00 0.00 N ATOM 1334 CA GLY A 85 -1.074 -1.697 3.520 1.00 0.00 C ATOM 1335 C GLY A 85 -0.814 -0.288 4.029 1.00 0.00 C ATOM 1336 O GLY A 85 -1.754 0.470 4.271 1.00 0.00 O ATOM 0 H GLY A 85 -3.061 -1.134 3.171 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.753 -2.411 4.279 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.458 -1.872 2.638 1.00 0.00 H new ATOM 1340 N VAL A 86 0.482 0.051 4.212 1.00 0.00 N ATOM 1341 CA VAL A 86 0.923 1.375 4.712 1.00 0.00 C ATOM 1342 C VAL A 86 1.907 2.042 3.727 1.00 0.00 C ATOM 1343 O VAL A 86 2.804 1.372 3.205 1.00 0.00 O ATOM 1344 CB VAL A 86 1.568 1.285 6.156 1.00 0.00 C ATOM 1345 CG1 VAL A 86 0.523 0.854 7.209 1.00 0.00 C ATOM 1346 CG2 VAL A 86 2.793 0.339 6.187 1.00 0.00 C ATOM 0 H VAL A 86 1.254 -0.586 4.017 1.00 0.00 H new ATOM 0 HA VAL A 86 0.029 1.995 4.788 1.00 0.00 H new ATOM 0 HB VAL A 86 1.919 2.286 6.408 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.995 0.801 8.190 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.288 1.582 7.236 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.123 -0.125 6.945 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.203 0.308 7.196 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.486 -0.664 5.889 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.553 0.706 5.498 1.00 0.00 H new ATOM 1356 N LEU A 87 1.728 3.357 3.458 1.00 0.00 N ATOM 1357 CA LEU A 87 2.608 4.093 2.518 1.00 0.00 C ATOM 1358 C LEU A 87 3.982 4.351 3.181 1.00 0.00 C ATOM 1359 O LEU A 87 4.071 5.061 4.182 1.00 0.00 O ATOM 1360 CB LEU A 87 1.970 5.432 2.068 1.00 0.00 C ATOM 1361 CG LEU A 87 2.721 6.197 0.917 1.00 0.00 C ATOM 1362 CD1 LEU A 87 2.778 5.358 -0.383 1.00 0.00 C ATOM 1363 CD2 LEU A 87 2.069 7.573 0.637 1.00 0.00 C ATOM 0 H LEU A 87 0.990 3.926 3.874 1.00 0.00 H new ATOM 0 HA LEU A 87 2.743 3.477 1.629 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.949 5.234 1.741 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.905 6.091 2.934 1.00 0.00 H new ATOM 0 HG LEU A 87 3.743 6.362 1.259 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.304 5.919 -1.155 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.305 4.424 -0.190 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.765 5.140 -0.720 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.611 8.076 -0.163 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.031 7.430 0.338 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.105 8.183 1.539 1.00 0.00 H new ATOM 1375 N ILE A 88 5.035 3.777 2.590 1.00 0.00 N ATOM 1376 CA ILE A 88 6.394 3.722 3.180 1.00 0.00 C ATOM 1377 C ILE A 88 7.409 4.506 2.327 1.00 0.00 C ATOM 1378 O ILE A 88 7.114 4.917 1.198 1.00 0.00 O ATOM 1379 CB ILE A 88 6.862 2.221 3.321 1.00 0.00 C ATOM 1380 CG1 ILE A 88 6.761 1.520 1.924 1.00 0.00 C ATOM 1381 CG2 ILE A 88 6.036 1.474 4.400 1.00 0.00 C ATOM 1382 CD1 ILE A 88 7.045 0.036 1.887 1.00 0.00 C ATOM 0 H ILE A 88 4.976 3.329 1.676 1.00 0.00 H new ATOM 0 HA ILE A 88 6.350 4.185 4.166 1.00 0.00 H new ATOM 0 HB ILE A 88 7.900 2.196 3.653 1.00 0.00 H new ATOM 0 HG12 ILE A 88 5.757 1.684 1.533 1.00 0.00 H new ATOM 0 HG13 ILE A 88 7.453 2.016 1.244 1.00 0.00 H new ATOM 0 HG21 ILE A 88 6.382 0.443 4.474 1.00 0.00 H new ATOM 0 HG22 ILE A 88 6.163 1.969 5.363 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.982 1.484 4.123 1.00 0.00 H new ATOM 0 HD11 ILE A 88 6.942 -0.329 0.865 1.00 0.00 H new ATOM 0 HD12 ILE A 88 8.060 -0.149 2.238 1.00 0.00 H new ATOM 0 HD13 ILE A 88 6.338 -0.486 2.531 1.00 0.00 H new ATOM 1394 N ARG A 89 8.612 4.714 2.896 1.00 0.00 N ATOM 1395 CA ARG A 89 9.705 5.472 2.253 1.00 0.00 C ATOM 1396 C ARG A 89 10.854 4.496 1.929 1.00 0.00 C ATOM 1397 O ARG A 89 11.711 4.240 2.784 1.00 0.00 O ATOM 1398 CB ARG A 89 10.190 6.618 3.207 1.00 0.00 C ATOM 1399 CG ARG A 89 9.059 7.386 3.945 1.00 0.00 C ATOM 1400 CD ARG A 89 8.046 8.063 3.000 1.00 0.00 C ATOM 1401 NE ARG A 89 6.834 8.488 3.722 1.00 0.00 N ATOM 1402 CZ ARG A 89 5.614 8.633 3.176 1.00 0.00 C ATOM 1403 NH1 ARG A 89 5.418 8.478 1.870 1.00 0.00 N ATOM 1404 NH2 ARG A 89 4.598 8.967 3.946 1.00 0.00 N ATOM 0 H ARG A 89 8.855 4.359 3.821 1.00 0.00 H new ATOM 0 HA ARG A 89 9.356 5.932 1.329 1.00 0.00 H new ATOM 0 HB2 ARG A 89 10.862 6.190 3.951 1.00 0.00 H new ATOM 0 HB3 ARG A 89 10.772 7.332 2.625 1.00 0.00 H new ATOM 0 HG2 ARG A 89 8.527 6.692 4.596 1.00 0.00 H new ATOM 0 HG3 ARG A 89 9.507 8.145 4.586 1.00 0.00 H new ATOM 0 HD2 ARG A 89 8.511 8.928 2.526 1.00 0.00 H new ATOM 0 HD3 ARG A 89 7.772 7.372 2.203 1.00 0.00 H new ATOM 0 HE ARG A 89 6.928 8.689 4.718 1.00 0.00 H new ATOM 0 HH11 ARG A 89 6.202 8.244 1.261 1.00 0.00 H new ATOM 0 HH12 ARG A 89 4.484 8.593 1.477 1.00 0.00 H new ATOM 0 HH21 ARG A 89 4.742 9.113 4.945 1.00 0.00 H new ATOM 0 HH22 ARG A 89 3.668 9.080 3.543 1.00 0.00 H new ATOM 1418 N GLU A 90 10.853 3.924 0.706 1.00 0.00 N ATOM 1419 CA GLU A 90 11.810 2.863 0.302 1.00 0.00 C ATOM 1420 C GLU A 90 12.631 3.286 -0.923 1.00 0.00 C ATOM 1421 O GLU A 90 13.805 3.645 -0.808 1.00 0.00 O ATOM 1422 CB GLU A 90 11.046 1.552 -0.017 1.00 0.00 C ATOM 1423 CG GLU A 90 10.259 0.966 1.151 1.00 0.00 C ATOM 1424 CD GLU A 90 11.131 0.466 2.307 1.00 0.00 C ATOM 1425 OE1 GLU A 90 11.607 -0.687 2.241 1.00 0.00 O ATOM 1426 OE2 GLU A 90 11.329 1.197 3.294 1.00 0.00 O ATOM 0 H GLU A 90 10.193 4.181 -0.028 1.00 0.00 H new ATOM 0 HA GLU A 90 12.494 2.698 1.134 1.00 0.00 H new ATOM 0 HB2 GLU A 90 10.358 1.741 -0.841 1.00 0.00 H new ATOM 0 HB3 GLU A 90 11.762 0.807 -0.364 1.00 0.00 H new ATOM 0 HG2 GLU A 90 9.573 1.724 1.529 1.00 0.00 H new ATOM 0 HG3 GLU A 90 9.650 0.139 0.786 1.00 0.00 H new ATOM 1433 N LEU A 91 11.988 3.246 -2.099 1.00 0.00 N ATOM 1434 CA LEU A 91 12.668 3.382 -3.398 1.00 0.00 C ATOM 1435 C LEU A 91 12.322 4.728 -4.039 1.00 0.00 C ATOM 1436 O LEU A 91 11.196 5.218 -3.892 1.00 0.00 O ATOM 1437 CB LEU A 91 12.241 2.223 -4.342 1.00 0.00 C ATOM 1438 CG LEU A 91 12.368 0.777 -3.762 1.00 0.00 C ATOM 1439 CD1 LEU A 91 11.755 -0.261 -4.722 1.00 0.00 C ATOM 1440 CD2 LEU A 91 13.837 0.426 -3.428 1.00 0.00 C ATOM 0 H LEU A 91 10.979 3.118 -2.178 1.00 0.00 H new ATOM 0 HA LEU A 91 13.745 3.335 -3.237 1.00 0.00 H new ATOM 0 HB2 LEU A 91 11.204 2.385 -4.635 1.00 0.00 H new ATOM 0 HB3 LEU A 91 12.841 2.282 -5.250 1.00 0.00 H new ATOM 0 HG LEU A 91 11.804 0.748 -2.830 1.00 0.00 H new ATOM 0 HD11 LEU A 91 11.857 -1.258 -4.293 1.00 0.00 H new ATOM 0 HD12 LEU A 91 10.699 -0.038 -4.873 1.00 0.00 H new ATOM 0 HD13 LEU A 91 12.275 -0.223 -5.679 1.00 0.00 H new ATOM 0 HD21 LEU A 91 13.887 -0.586 -3.027 1.00 0.00 H new ATOM 0 HD22 LEU A 91 14.441 0.488 -4.333 1.00 0.00 H new ATOM 0 HD23 LEU A 91 14.220 1.129 -2.688 1.00 0.00 H new