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 75 SER OG : rot 180:sc= 0.0596 USER MOD Set 1.2: A 79 GLN : amide:sc= 0.659 K(o=0.72,f=0.081) USER MOD Single : A 23 THR OG1 : rot 39:sc= 0.184 USER MOD Single : A 26 ASN :FLIP amide:sc= -1.59 F(o=-2.7!,f=-1.6) USER MOD Single : A 32 THR OG1 : rot 90:sc= 0.223 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0.246 X(o=0.25,f=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= -1.02 USER MOD Single : A 66 THR OG1 : rot -53:sc= 1.27 USER MOD Single : A 67 ASN : amide:sc= -0.257 K(o=-0.26,f=-6.4!) USER MOD Single : A 70 ASN : amide:sc= -0.0747 K(o=-0.075,f=-1.2) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 366 N THR A 23 -5.683 -3.933 -10.192 1.00 0.00 N ATOM 367 CA THR A 23 -5.326 -4.454 -8.864 1.00 0.00 C ATOM 368 C THR A 23 -5.310 -3.310 -7.832 1.00 0.00 C ATOM 369 O THR A 23 -4.568 -2.335 -7.984 1.00 0.00 O ATOM 370 CB THR A 23 -3.932 -5.158 -8.905 1.00 0.00 C ATOM 371 OG1 THR A 23 -3.927 -6.124 -9.963 1.00 0.00 O ATOM 372 CG2 THR A 23 -3.581 -5.862 -7.584 1.00 0.00 C ATOM 0 HA THR A 23 -6.076 -5.188 -8.569 1.00 0.00 H new ATOM 0 HB THR A 23 -3.182 -4.385 -9.072 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.412 -5.766 -10.735 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.602 -6.333 -7.672 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.561 -5.131 -6.776 1.00 0.00 H new ATOM 0 HG23 THR A 23 -4.331 -6.622 -7.366 1.00 0.00 H new ATOM 380 N ARG A 24 -6.147 -3.445 -6.790 1.00 0.00 N ATOM 381 CA ARG A 24 -6.430 -2.379 -5.821 1.00 0.00 C ATOM 382 C ARG A 24 -5.969 -2.767 -4.412 1.00 0.00 C ATOM 383 O ARG A 24 -6.004 -3.943 -4.019 1.00 0.00 O ATOM 384 CB ARG A 24 -7.948 -2.054 -5.839 1.00 0.00 C ATOM 385 CG ARG A 24 -8.464 -1.527 -7.198 1.00 0.00 C ATOM 386 CD ARG A 24 -7.795 -0.202 -7.607 1.00 0.00 C ATOM 387 NE ARG A 24 -8.106 0.219 -8.988 1.00 0.00 N ATOM 388 CZ ARG A 24 -9.290 0.678 -9.424 1.00 0.00 C ATOM 389 NH1 ARG A 24 -10.389 0.584 -8.689 1.00 0.00 N ATOM 390 NH2 ARG A 24 -9.365 1.210 -10.628 1.00 0.00 N ATOM 0 H ARG A 24 -6.652 -4.310 -6.597 1.00 0.00 H new ATOM 0 HA ARG A 24 -5.870 -1.489 -6.108 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -8.504 -2.953 -5.575 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.159 -1.311 -5.070 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.281 -2.276 -7.968 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.543 -1.384 -7.143 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.110 0.582 -6.918 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -6.715 -0.303 -7.502 1.00 0.00 H new ATOM 0 HE ARG A 24 -7.353 0.155 -9.673 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.349 0.154 -7.765 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -11.274 0.942 -9.047 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.531 1.268 -11.213 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -10.257 1.564 -10.975 1.00 0.00 H new ATOM 404 N ILE A 25 -5.557 -1.737 -3.668 1.00 0.00 N ATOM 405 CA ILE A 25 -5.050 -1.843 -2.303 1.00 0.00 C ATOM 406 C ILE A 25 -5.417 -0.561 -1.546 1.00 0.00 C ATOM 407 O ILE A 25 -5.397 0.529 -2.120 1.00 0.00 O ATOM 408 CB ILE A 25 -3.481 -2.054 -2.306 1.00 0.00 C ATOM 409 CG1 ILE A 25 -2.892 -2.134 -0.851 1.00 0.00 C ATOM 410 CG2 ILE A 25 -2.767 -0.949 -3.131 1.00 0.00 C ATOM 411 CD1 ILE A 25 -1.404 -2.446 -0.778 1.00 0.00 C ATOM 0 H ILE A 25 -5.569 -0.777 -4.013 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.500 -2.705 -1.810 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.292 -3.014 -2.785 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.074 -1.184 -0.348 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.436 -2.898 -0.296 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.691 -1.121 -3.114 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -3.123 -0.976 -4.161 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.985 0.027 -2.698 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.090 -2.480 0.265 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.211 -3.411 -1.247 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.844 -1.670 -1.300 1.00 0.00 H new ATOM 423 N ASN A 26 -5.771 -0.691 -0.267 1.00 0.00 N ATOM 424 CA ASN A 26 -6.053 0.453 0.598 1.00 0.00 C ATOM 425 C ASN A 26 -4.764 0.791 1.329 1.00 0.00 C ATOM 426 O ASN A 26 -4.361 0.111 2.286 1.00 0.00 O ATOM 427 CB ASN A 26 -7.203 0.131 1.583 1.00 0.00 C ATOM 428 CG ASN A 26 -8.520 -0.103 0.852 1.00 0.00 C ATOM 429 OD1 ASN A 26 -8.727 -1.318 0.381 1.00 0.00 O flip ATOM 430 ND2 ASN A 26 -9.330 0.813 0.678 1.00 0.00 N flip ATOM 0 H ASN A 26 -5.870 -1.593 0.198 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.385 1.310 0.012 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.947 -0.754 2.165 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -7.319 0.954 2.289 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -9.139 1.741 1.056 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -10.190 0.641 0.157 1.00 0.00 H new ATOM 437 N VAL A 27 -4.097 1.823 0.817 1.00 0.00 N ATOM 438 CA VAL A 27 -2.804 2.282 1.296 1.00 0.00 C ATOM 439 C VAL A 27 -3.034 3.352 2.354 1.00 0.00 C ATOM 440 O VAL A 27 -3.630 4.396 2.061 1.00 0.00 O ATOM 441 CB VAL A 27 -1.950 2.849 0.103 1.00 0.00 C ATOM 442 CG1 VAL A 27 -0.620 3.457 0.581 1.00 0.00 C ATOM 443 CG2 VAL A 27 -1.710 1.752 -0.949 1.00 0.00 C ATOM 0 H VAL A 27 -4.454 2.375 0.037 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.250 1.451 1.733 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.519 3.657 -0.356 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.064 3.836 -0.277 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.822 4.275 1.273 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.031 2.692 1.086 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.118 2.158 -1.769 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.174 0.920 -0.492 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.668 1.400 -1.333 1.00 0.00 H new ATOM 453 N VAL A 28 -2.604 3.054 3.580 1.00 0.00 N ATOM 454 CA VAL A 28 -2.720 3.949 4.720 1.00 0.00 C ATOM 455 C VAL A 28 -1.378 4.667 4.913 1.00 0.00 C ATOM 456 O VAL A 28 -0.382 4.042 5.274 1.00 0.00 O ATOM 457 CB VAL A 28 -3.113 3.173 6.038 1.00 0.00 C ATOM 458 CG1 VAL A 28 -3.371 4.152 7.200 1.00 0.00 C ATOM 459 CG2 VAL A 28 -4.328 2.228 5.803 1.00 0.00 C ATOM 0 H VAL A 28 -2.158 2.166 3.808 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.514 4.668 4.521 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.268 2.544 6.318 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.640 3.591 8.095 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.469 4.733 7.393 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.187 4.825 6.935 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.571 1.710 6.731 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.188 2.814 5.479 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.077 1.497 5.034 1.00 0.00 H new ATOM 469 N ASP A 29 -1.364 5.964 4.623 1.00 0.00 N ATOM 470 CA ASP A 29 -0.225 6.834 4.897 1.00 0.00 C ATOM 471 C ASP A 29 -0.011 6.865 6.430 1.00 0.00 C ATOM 472 O ASP A 29 -0.923 7.272 7.150 1.00 0.00 O ATOM 473 CB ASP A 29 -0.505 8.254 4.328 1.00 0.00 C ATOM 474 CG ASP A 29 0.752 9.124 4.215 1.00 0.00 C ATOM 475 OD1 ASP A 29 1.351 9.457 5.248 1.00 0.00 O ATOM 476 OD2 ASP A 29 1.143 9.492 3.091 1.00 0.00 O ATOM 0 H ASP A 29 -2.150 6.446 4.187 1.00 0.00 H new ATOM 0 HA ASP A 29 0.680 6.463 4.416 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -0.962 8.159 3.343 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -1.230 8.757 4.968 1.00 0.00 H new ATOM 481 N PRO A 30 1.162 6.393 6.947 1.00 0.00 N ATOM 482 CA PRO A 30 1.371 6.184 8.404 1.00 0.00 C ATOM 483 C PRO A 30 1.362 7.502 9.219 1.00 0.00 C ATOM 484 O PRO A 30 0.926 7.517 10.373 1.00 0.00 O ATOM 485 CB PRO A 30 2.747 5.469 8.464 1.00 0.00 C ATOM 486 CG PRO A 30 3.451 5.915 7.218 1.00 0.00 C ATOM 487 CD PRO A 30 2.377 6.030 6.166 1.00 0.00 C ATOM 0 HA PRO A 30 0.565 5.606 8.856 1.00 0.00 H new ATOM 0 HB2 PRO A 30 3.303 5.751 9.358 1.00 0.00 H new ATOM 0 HB3 PRO A 30 2.631 4.385 8.489 1.00 0.00 H new ATOM 0 HG2 PRO A 30 3.953 6.870 7.372 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.216 5.197 6.921 1.00 0.00 H new ATOM 0 HD2 PRO A 30 2.621 6.792 5.426 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.242 5.093 5.626 1.00 0.00 H new ATOM 495 N GLU A 31 1.829 8.598 8.593 1.00 0.00 N ATOM 496 CA GLU A 31 1.977 9.912 9.261 1.00 0.00 C ATOM 497 C GLU A 31 0.730 10.791 9.027 1.00 0.00 C ATOM 498 O GLU A 31 0.190 11.379 9.976 1.00 0.00 O ATOM 499 CB GLU A 31 3.279 10.618 8.773 1.00 0.00 C ATOM 500 CG GLU A 31 3.436 10.691 7.243 1.00 0.00 C ATOM 501 CD GLU A 31 4.713 11.398 6.780 1.00 0.00 C ATOM 502 OE1 GLU A 31 5.779 10.757 6.780 1.00 0.00 O ATOM 503 OE2 GLU A 31 4.666 12.591 6.422 1.00 0.00 O ATOM 0 H GLU A 31 2.114 8.602 7.614 1.00 0.00 H new ATOM 0 HA GLU A 31 2.063 9.753 10.336 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.300 11.631 9.176 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.139 10.092 9.188 1.00 0.00 H new ATOM 0 HG2 GLU A 31 3.427 9.679 6.839 1.00 0.00 H new ATOM 0 HG3 GLU A 31 2.574 11.210 6.824 1.00 0.00 H new ATOM 510 N THR A 32 0.263 10.847 7.770 1.00 0.00 N ATOM 511 CA THR A 32 -0.835 11.747 7.355 1.00 0.00 C ATOM 512 C THR A 32 -2.216 11.102 7.631 1.00 0.00 C ATOM 513 O THR A 32 -3.200 11.798 7.880 1.00 0.00 O ATOM 514 CB THR A 32 -0.695 12.126 5.840 1.00 0.00 C ATOM 515 OG1 THR A 32 0.677 12.413 5.539 1.00 0.00 O ATOM 516 CG2 THR A 32 -1.544 13.348 5.454 1.00 0.00 C ATOM 0 H THR A 32 0.632 10.273 7.012 1.00 0.00 H new ATOM 0 HA THR A 32 -0.765 12.660 7.947 1.00 0.00 H new ATOM 0 HB THR A 32 -1.053 11.271 5.267 1.00 0.00 H new ATOM 0 HG1 THR A 32 1.131 11.589 5.267 1.00 0.00 H new ATOM 0 HG21 THR A 32 -1.408 13.565 4.394 1.00 0.00 H new ATOM 0 HG22 THR A 32 -2.595 13.137 5.650 1.00 0.00 H new ATOM 0 HG23 THR A 32 -1.231 14.209 6.044 1.00 0.00 H new ATOM 524 N GLY A 33 -2.266 9.759 7.586 1.00 0.00 N ATOM 525 CA GLY A 33 -3.491 8.993 7.861 1.00 0.00 C ATOM 526 C GLY A 33 -4.362 8.756 6.633 1.00 0.00 C ATOM 527 O GLY A 33 -5.484 8.247 6.768 1.00 0.00 O ATOM 0 H GLY A 33 -1.460 9.177 7.358 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.216 8.030 8.290 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -4.077 9.522 8.613 1.00 0.00 H new ATOM 531 N LYS A 34 -3.860 9.156 5.440 1.00 0.00 N ATOM 532 CA LYS A 34 -4.569 8.955 4.159 1.00 0.00 C ATOM 533 C LYS A 34 -4.818 7.459 3.888 1.00 0.00 C ATOM 534 O LYS A 34 -3.893 6.742 3.529 1.00 0.00 O ATOM 535 CB LYS A 34 -3.754 9.525 2.964 1.00 0.00 C ATOM 536 CG LYS A 34 -3.471 11.037 2.990 1.00 0.00 C ATOM 537 CD LYS A 34 -2.705 11.484 1.724 1.00 0.00 C ATOM 538 CE LYS A 34 -2.543 13.003 1.605 1.00 0.00 C ATOM 539 NZ LYS A 34 -1.853 13.391 0.344 1.00 0.00 N ATOM 0 H LYS A 34 -2.959 9.623 5.341 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.519 9.483 4.247 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -2.800 8.999 2.919 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.289 9.293 2.043 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.411 11.584 3.062 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.889 11.286 3.877 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.718 11.021 1.725 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -3.229 11.114 0.843 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -3.524 13.477 1.643 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.976 13.376 2.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.763 14.426 0.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -0.907 12.960 0.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.406 13.058 -0.471 1.00 0.00 H new ATOM 553 N VAL A 35 -6.067 7.012 4.041 1.00 0.00 N ATOM 554 CA VAL A 35 -6.495 5.682 3.585 1.00 0.00 C ATOM 555 C VAL A 35 -7.088 5.874 2.186 1.00 0.00 C ATOM 556 O VAL A 35 -8.153 6.483 2.040 1.00 0.00 O ATOM 557 CB VAL A 35 -7.541 5.017 4.559 1.00 0.00 C ATOM 558 CG1 VAL A 35 -7.939 3.603 4.067 1.00 0.00 C ATOM 559 CG2 VAL A 35 -6.995 4.970 6.007 1.00 0.00 C ATOM 0 H VAL A 35 -6.808 7.556 4.482 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.644 5.001 3.569 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.440 5.634 4.559 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.661 3.167 4.757 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.383 3.675 3.074 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.053 2.970 4.023 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.735 4.507 6.660 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.075 4.386 6.030 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.791 5.984 6.352 1.00 0.00 H new ATOM 569 N GLU A 36 -6.363 5.417 1.157 1.00 0.00 N ATOM 570 CA GLU A 36 -6.713 5.685 -0.244 1.00 0.00 C ATOM 571 C GLU A 36 -6.542 4.415 -1.076 1.00 0.00 C ATOM 572 O GLU A 36 -5.556 3.691 -0.904 1.00 0.00 O ATOM 573 CB GLU A 36 -5.815 6.829 -0.790 1.00 0.00 C ATOM 574 CG GLU A 36 -6.228 7.356 -2.177 1.00 0.00 C ATOM 575 CD GLU A 36 -5.393 8.559 -2.641 1.00 0.00 C ATOM 576 OE1 GLU A 36 -5.302 9.560 -1.891 1.00 0.00 O ATOM 577 OE2 GLU A 36 -4.842 8.522 -3.757 1.00 0.00 O ATOM 0 H GLU A 36 -5.521 4.853 1.271 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.756 5.996 -0.309 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -5.831 7.657 -0.081 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -4.786 6.473 -0.842 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.132 6.552 -2.907 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.280 7.640 -2.152 1.00 0.00 H new ATOM 584 N ILE A 37 -7.506 4.153 -1.977 1.00 0.00 N ATOM 585 CA ILE A 37 -7.452 2.993 -2.876 1.00 0.00 C ATOM 586 C ILE A 37 -6.431 3.287 -3.993 1.00 0.00 C ATOM 587 O ILE A 37 -6.727 4.030 -4.933 1.00 0.00 O ATOM 588 CB ILE A 37 -8.861 2.658 -3.507 1.00 0.00 C ATOM 589 CG1 ILE A 37 -9.977 2.578 -2.413 1.00 0.00 C ATOM 590 CG2 ILE A 37 -8.796 1.337 -4.324 1.00 0.00 C ATOM 591 CD1 ILE A 37 -11.384 2.340 -2.956 1.00 0.00 C ATOM 0 H ILE A 37 -8.335 4.735 -2.100 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.150 2.121 -2.295 1.00 0.00 H new ATOM 0 HB ILE A 37 -9.122 3.472 -4.184 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -9.729 1.775 -1.718 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -9.975 3.506 -1.842 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -9.776 1.124 -4.750 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -8.066 1.441 -5.127 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -8.500 0.518 -3.669 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -12.091 2.299 -2.128 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -11.658 3.154 -3.627 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -11.409 1.397 -3.501 1.00 0.00 H new ATOM 603 N ALA A 38 -5.224 2.757 -3.832 1.00 0.00 N ATOM 604 CA ALA A 38 -4.152 2.856 -4.827 1.00 0.00 C ATOM 605 C ALA A 38 -4.200 1.688 -5.825 1.00 0.00 C ATOM 606 O ALA A 38 -4.770 0.625 -5.534 1.00 0.00 O ATOM 607 CB ALA A 38 -2.811 2.911 -4.106 1.00 0.00 C ATOM 0 H ALA A 38 -4.954 2.238 -2.996 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.288 3.769 -5.407 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -2.007 2.985 -4.838 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -2.786 3.781 -3.450 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -2.680 2.006 -3.513 1.00 0.00 H new ATOM 613 N GLU A 39 -3.606 1.906 -7.012 1.00 0.00 N ATOM 614 CA GLU A 39 -3.520 0.897 -8.084 1.00 0.00 C ATOM 615 C GLU A 39 -2.076 0.385 -8.180 1.00 0.00 C ATOM 616 O GLU A 39 -1.155 1.179 -8.396 1.00 0.00 O ATOM 617 CB GLU A 39 -3.984 1.505 -9.433 1.00 0.00 C ATOM 618 CG GLU A 39 -5.370 2.176 -9.369 1.00 0.00 C ATOM 619 CD GLU A 39 -5.953 2.486 -10.752 1.00 0.00 C ATOM 620 OE1 GLU A 39 -6.592 1.592 -11.346 1.00 0.00 O ATOM 621 OE2 GLU A 39 -5.762 3.608 -11.261 1.00 0.00 O ATOM 0 H GLU A 39 -3.169 2.794 -7.256 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.178 0.059 -7.852 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.249 2.240 -9.761 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.006 0.718 -10.187 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.058 1.525 -8.829 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.293 3.101 -8.798 1.00 0.00 H new ATOM 628 N ILE A 40 -1.892 -0.940 -8.029 1.00 0.00 N ATOM 629 CA ILE A 40 -0.561 -1.566 -7.908 1.00 0.00 C ATOM 630 C ILE A 40 0.118 -1.681 -9.286 1.00 0.00 C ATOM 631 O ILE A 40 -0.374 -2.379 -10.180 1.00 0.00 O ATOM 632 CB ILE A 40 -0.659 -2.975 -7.206 1.00 0.00 C ATOM 633 CG1 ILE A 40 -1.233 -2.801 -5.761 1.00 0.00 C ATOM 634 CG2 ILE A 40 0.711 -3.711 -7.181 1.00 0.00 C ATOM 635 CD1 ILE A 40 -1.390 -4.074 -4.954 1.00 0.00 C ATOM 0 H ILE A 40 -2.662 -1.607 -7.987 1.00 0.00 H new ATOM 0 HA ILE A 40 0.057 -0.924 -7.280 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.337 -3.600 -7.788 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.580 -2.123 -5.211 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.207 -2.317 -5.834 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.596 -4.677 -6.688 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.061 -3.864 -8.202 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.437 -3.109 -6.635 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.795 -3.834 -3.971 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.070 -4.751 -5.471 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.418 -4.554 -4.839 1.00 0.00 H new ATOM 647 N ARG A 41 1.237 -0.956 -9.430 1.00 0.00 N ATOM 648 CA ARG A 41 2.064 -0.937 -10.645 1.00 0.00 C ATOM 649 C ARG A 41 2.942 -2.197 -10.716 1.00 0.00 C ATOM 650 O ARG A 41 2.915 -2.941 -11.706 1.00 0.00 O ATOM 651 CB ARG A 41 2.964 0.333 -10.663 1.00 0.00 C ATOM 652 CG ARG A 41 2.208 1.665 -10.507 1.00 0.00 C ATOM 653 CD ARG A 41 1.096 1.838 -11.545 1.00 0.00 C ATOM 654 NE ARG A 41 0.491 3.174 -11.476 1.00 0.00 N ATOM 655 CZ ARG A 41 -0.631 3.543 -12.102 1.00 0.00 C ATOM 656 NH1 ARG A 41 -1.371 2.657 -12.764 1.00 0.00 N ATOM 657 NH2 ARG A 41 -1.020 4.803 -12.046 1.00 0.00 N ATOM 0 H ARG A 41 1.599 -0.355 -8.690 1.00 0.00 H new ATOM 0 HA ARG A 41 1.403 -0.918 -11.511 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.698 0.252 -9.861 1.00 0.00 H new ATOM 0 HB3 ARG A 41 3.519 0.354 -11.601 1.00 0.00 H new ATOM 0 HG2 ARG A 41 1.778 1.719 -9.507 1.00 0.00 H new ATOM 0 HG3 ARG A 41 2.914 2.491 -10.595 1.00 0.00 H new ATOM 0 HD2 ARG A 41 1.501 1.673 -12.543 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.328 1.082 -11.384 1.00 0.00 H new ATOM 0 HE ARG A 41 0.964 3.875 -10.906 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.085 1.679 -12.799 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -2.224 2.956 -13.236 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -0.466 5.485 -11.528 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.875 5.094 -12.520 1.00 0.00 H new ATOM 671 N ASN A 42 3.702 -2.435 -9.636 1.00 0.00 N ATOM 672 CA ASN A 42 4.677 -3.546 -9.547 1.00 0.00 C ATOM 673 C ASN A 42 4.487 -4.304 -8.239 1.00 0.00 C ATOM 674 O ASN A 42 3.985 -3.754 -7.264 1.00 0.00 O ATOM 675 CB ASN A 42 6.140 -3.029 -9.647 1.00 0.00 C ATOM 676 CG ASN A 42 6.476 -2.430 -11.011 1.00 0.00 C ATOM 677 OD1 ASN A 42 6.890 -3.138 -11.932 1.00 0.00 O ATOM 678 ND2 ASN A 42 6.305 -1.131 -11.152 1.00 0.00 N ATOM 0 H ASN A 42 3.661 -1.862 -8.793 1.00 0.00 H new ATOM 0 HA ASN A 42 4.496 -4.216 -10.387 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.306 -2.276 -8.876 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.824 -3.852 -9.441 1.00 0.00 H new ATOM 0 HD21 ASN A 42 6.517 -0.682 -12.043 1.00 0.00 H new ATOM 0 HD22 ASN A 42 5.961 -0.574 -10.370 1.00 0.00 H new ATOM 685 N VAL A 43 4.874 -5.580 -8.248 1.00 0.00 N ATOM 686 CA VAL A 43 4.821 -6.469 -7.072 1.00 0.00 C ATOM 687 C VAL A 43 6.230 -6.960 -6.688 1.00 0.00 C ATOM 688 O VAL A 43 6.380 -7.811 -5.798 1.00 0.00 O ATOM 689 CB VAL A 43 3.876 -7.686 -7.376 1.00 0.00 C ATOM 690 CG1 VAL A 43 2.444 -7.199 -7.684 1.00 0.00 C ATOM 691 CG2 VAL A 43 4.430 -8.556 -8.539 1.00 0.00 C ATOM 0 H VAL A 43 5.240 -6.038 -9.083 1.00 0.00 H new ATOM 0 HA VAL A 43 4.423 -5.909 -6.226 1.00 0.00 H new ATOM 0 HB VAL A 43 3.840 -8.313 -6.485 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.805 -8.057 -7.892 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.052 -6.654 -6.825 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.462 -6.541 -8.553 1.00 0.00 H new ATOM 0 HG21 VAL A 43 3.753 -9.390 -8.724 1.00 0.00 H new ATOM 0 HG22 VAL A 43 4.513 -7.949 -9.440 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.414 -8.941 -8.269 1.00 0.00 H new ATOM 914 N ILE A 57 3.592 -12.164 -7.925 1.00 0.00 N ATOM 915 CA ILE A 57 2.442 -12.127 -7.015 1.00 0.00 C ATOM 916 C ILE A 57 2.749 -11.218 -5.810 1.00 0.00 C ATOM 917 O ILE A 57 3.889 -10.784 -5.616 1.00 0.00 O ATOM 918 CB ILE A 57 2.019 -13.595 -6.556 1.00 0.00 C ATOM 919 CG1 ILE A 57 3.256 -14.536 -6.286 1.00 0.00 C ATOM 920 CG2 ILE A 57 1.070 -14.239 -7.599 1.00 0.00 C ATOM 921 CD1 ILE A 57 4.118 -14.203 -5.071 1.00 0.00 C ATOM 0 HA ILE A 57 1.590 -11.705 -7.549 1.00 0.00 H new ATOM 0 HB ILE A 57 1.494 -13.485 -5.607 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.889 -15.556 -6.174 1.00 0.00 H new ATOM 0 HG13 ILE A 57 3.894 -14.522 -7.170 1.00 0.00 H new ATOM 0 HG21 ILE A 57 0.792 -15.240 -7.269 1.00 0.00 H new ATOM 0 HG22 ILE A 57 0.173 -13.628 -7.701 1.00 0.00 H new ATOM 0 HG23 ILE A 57 1.577 -14.302 -8.562 1.00 0.00 H new ATOM 0 HD11 ILE A 57 4.934 -14.922 -4.995 1.00 0.00 H new ATOM 0 HD12 ILE A 57 4.528 -13.199 -5.180 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.508 -14.250 -4.169 1.00 0.00 H new ATOM 933 N ILE A 58 1.706 -10.948 -5.018 1.00 0.00 N ATOM 934 CA ILE A 58 1.767 -10.091 -3.821 1.00 0.00 C ATOM 935 C ILE A 58 1.796 -10.977 -2.568 1.00 0.00 C ATOM 936 O ILE A 58 0.994 -11.906 -2.447 1.00 0.00 O ATOM 937 CB ILE A 58 0.503 -9.152 -3.789 1.00 0.00 C ATOM 938 CG1 ILE A 58 0.382 -8.383 -5.139 1.00 0.00 C ATOM 939 CG2 ILE A 58 0.543 -8.169 -2.585 1.00 0.00 C ATOM 940 CD1 ILE A 58 -0.873 -7.562 -5.313 1.00 0.00 C ATOM 0 H ILE A 58 0.774 -11.325 -5.192 1.00 0.00 H new ATOM 0 HA ILE A 58 2.667 -9.477 -3.847 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.381 -9.776 -3.657 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.243 -7.722 -5.238 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.438 -9.105 -5.954 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.347 -7.539 -2.600 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.572 -8.735 -1.654 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.432 -7.543 -2.656 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.854 -7.070 -6.285 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.745 -8.213 -5.253 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.927 -6.809 -4.526 1.00 0.00 H new ATOM 952 N THR A 59 2.742 -10.702 -1.667 1.00 0.00 N ATOM 953 CA THR A 59 2.883 -11.422 -0.393 1.00 0.00 C ATOM 954 C THR A 59 2.830 -10.426 0.774 1.00 0.00 C ATOM 955 O THR A 59 3.107 -9.233 0.596 1.00 0.00 O ATOM 956 CB THR A 59 4.212 -12.250 -0.362 1.00 0.00 C ATOM 957 OG1 THR A 59 5.332 -11.411 -0.692 1.00 0.00 O ATOM 958 CG2 THR A 59 4.167 -13.440 -1.339 1.00 0.00 C ATOM 0 H THR A 59 3.438 -9.968 -1.799 1.00 0.00 H new ATOM 0 HA THR A 59 2.056 -12.125 -0.293 1.00 0.00 H new ATOM 0 HB THR A 59 4.325 -12.639 0.650 1.00 0.00 H new ATOM 0 HG1 THR A 59 6.156 -11.941 -0.667 1.00 0.00 H new ATOM 0 HG21 THR A 59 5.107 -13.989 -1.287 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.345 -14.102 -1.068 1.00 0.00 H new ATOM 0 HG23 THR A 59 4.017 -13.072 -2.354 1.00 0.00 H new ATOM 966 N ARG A 60 2.452 -10.915 1.965 1.00 0.00 N ATOM 967 CA ARG A 60 2.334 -10.068 3.163 1.00 0.00 C ATOM 968 C ARG A 60 3.736 -9.720 3.707 1.00 0.00 C ATOM 969 O ARG A 60 4.525 -10.612 4.031 1.00 0.00 O ATOM 970 CB ARG A 60 1.479 -10.761 4.243 1.00 0.00 C ATOM 971 CG ARG A 60 1.201 -9.896 5.491 1.00 0.00 C ATOM 972 CD ARG A 60 0.248 -10.582 6.475 1.00 0.00 C ATOM 973 NE ARG A 60 -0.125 -9.694 7.584 1.00 0.00 N ATOM 974 CZ ARG A 60 -1.220 -9.830 8.345 1.00 0.00 C ATOM 975 NH1 ARG A 60 -2.057 -10.842 8.161 1.00 0.00 N ATOM 976 NH2 ARG A 60 -1.469 -8.949 9.296 1.00 0.00 N ATOM 0 H ARG A 60 2.222 -11.896 2.125 1.00 0.00 H new ATOM 0 HA ARG A 60 1.831 -9.141 2.886 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.527 -11.056 3.801 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.982 -11.676 4.555 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.142 -9.676 5.994 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.774 -8.942 5.181 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -0.651 -10.901 5.947 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.721 -11.480 6.872 1.00 0.00 H new ATOM 0 HE ARG A 60 0.498 -8.913 7.791 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -1.872 -11.531 7.432 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -2.886 -10.931 8.749 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -0.830 -8.169 9.449 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -2.301 -9.048 9.878 1.00 0.00 H new ATOM 990 N GLY A 61 4.004 -8.413 3.823 1.00 0.00 N ATOM 991 CA GLY A 61 5.326 -7.890 4.181 1.00 0.00 C ATOM 992 C GLY A 61 6.194 -7.583 2.970 1.00 0.00 C ATOM 993 O GLY A 61 7.359 -7.214 3.131 1.00 0.00 O ATOM 0 H GLY A 61 3.305 -7.686 3.670 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.203 -6.982 4.772 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.838 -8.615 4.813 1.00 0.00 H new ATOM 997 N ALA A 62 5.632 -7.738 1.756 1.00 0.00 N ATOM 998 CA ALA A 62 6.326 -7.392 0.505 1.00 0.00 C ATOM 999 C ALA A 62 6.206 -5.900 0.216 1.00 0.00 C ATOM 1000 O ALA A 62 5.300 -5.227 0.732 1.00 0.00 O ATOM 1001 CB ALA A 62 5.784 -8.211 -0.678 1.00 0.00 C ATOM 0 H ALA A 62 4.690 -8.104 1.617 1.00 0.00 H new ATOM 0 HA ALA A 62 7.380 -7.638 0.632 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.316 -7.933 -1.587 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.930 -9.273 -0.482 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.720 -8.008 -0.804 1.00 0.00 H new ATOM 1007 N VAL A 63 7.129 -5.390 -0.610 1.00 0.00 N ATOM 1008 CA VAL A 63 7.050 -4.027 -1.123 1.00 0.00 C ATOM 1009 C VAL A 63 6.421 -4.072 -2.529 1.00 0.00 C ATOM 1010 O VAL A 63 7.021 -4.603 -3.473 1.00 0.00 O ATOM 1011 CB VAL A 63 8.455 -3.332 -1.178 1.00 0.00 C ATOM 1012 CG1 VAL A 63 8.354 -1.891 -1.737 1.00 0.00 C ATOM 1013 CG2 VAL A 63 9.132 -3.339 0.219 1.00 0.00 C ATOM 0 H VAL A 63 7.943 -5.911 -0.936 1.00 0.00 H new ATOM 0 HA VAL A 63 6.434 -3.435 -0.446 1.00 0.00 H new ATOM 0 HB VAL A 63 9.080 -3.907 -1.862 1.00 0.00 H new ATOM 0 HG11 VAL A 63 9.346 -1.440 -1.761 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.944 -1.920 -2.747 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.701 -1.298 -1.097 1.00 0.00 H new ATOM 0 HG21 VAL A 63 10.105 -2.851 0.154 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.504 -2.803 0.930 1.00 0.00 H new ATOM 0 HG23 VAL A 63 9.263 -4.368 0.555 1.00 0.00 H new ATOM 1023 N VAL A 64 5.200 -3.545 -2.636 1.00 0.00 N ATOM 1024 CA VAL A 64 4.501 -3.378 -3.911 1.00 0.00 C ATOM 1025 C VAL A 64 4.464 -1.885 -4.255 1.00 0.00 C ATOM 1026 O VAL A 64 4.220 -1.049 -3.386 1.00 0.00 O ATOM 1027 CB VAL A 64 3.037 -3.982 -3.884 1.00 0.00 C ATOM 1028 CG1 VAL A 64 3.071 -5.519 -3.701 1.00 0.00 C ATOM 1029 CG2 VAL A 64 2.141 -3.317 -2.798 1.00 0.00 C ATOM 0 H VAL A 64 4.664 -3.219 -1.832 1.00 0.00 H new ATOM 0 HA VAL A 64 5.045 -3.931 -4.677 1.00 0.00 H new ATOM 0 HB VAL A 64 2.588 -3.759 -4.852 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.052 -5.906 -3.686 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.619 -5.972 -4.527 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.566 -5.763 -2.761 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.148 -3.766 -2.821 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.586 -3.470 -1.815 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.060 -2.248 -2.997 1.00 0.00 H new ATOM 1039 N GLU A 65 4.703 -1.548 -5.526 1.00 0.00 N ATOM 1040 CA GLU A 65 4.654 -0.157 -5.979 1.00 0.00 C ATOM 1041 C GLU A 65 3.232 0.125 -6.455 1.00 0.00 C ATOM 1042 O GLU A 65 2.591 -0.746 -7.044 1.00 0.00 O ATOM 1043 CB GLU A 65 5.663 0.125 -7.117 1.00 0.00 C ATOM 1044 CG GLU A 65 5.694 1.611 -7.545 1.00 0.00 C ATOM 1045 CD GLU A 65 6.579 1.882 -8.760 1.00 0.00 C ATOM 1046 OE1 GLU A 65 6.193 1.486 -9.878 1.00 0.00 O ATOM 1047 OE2 GLU A 65 7.653 2.493 -8.614 1.00 0.00 O ATOM 0 H GLU A 65 4.932 -2.220 -6.258 1.00 0.00 H new ATOM 0 HA GLU A 65 4.930 0.497 -5.152 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.660 -0.175 -6.793 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.410 -0.490 -7.980 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.678 1.937 -7.767 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.047 2.214 -6.708 1.00 0.00 H new ATOM 1054 N THR A 66 2.744 1.332 -6.180 1.00 0.00 N ATOM 1055 CA THR A 66 1.407 1.785 -6.566 1.00 0.00 C ATOM 1056 C THR A 66 1.523 3.125 -7.301 1.00 0.00 C ATOM 1057 O THR A 66 2.637 3.647 -7.499 1.00 0.00 O ATOM 1058 CB THR A 66 0.466 1.927 -5.317 1.00 0.00 C ATOM 1059 OG1 THR A 66 0.977 2.928 -4.422 1.00 0.00 O ATOM 1060 CG2 THR A 66 0.299 0.598 -4.550 1.00 0.00 C ATOM 0 H THR A 66 3.277 2.038 -5.672 1.00 0.00 H new ATOM 0 HA THR A 66 0.963 1.039 -7.226 1.00 0.00 H new ATOM 0 HB THR A 66 -0.514 2.222 -5.692 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.911 2.725 -4.203 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.361 0.751 -3.696 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.133 -0.152 -5.212 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.273 0.255 -4.200 1.00 0.00 H new ATOM 1068 N ASN A 67 0.371 3.656 -7.742 1.00 0.00 N ATOM 1069 CA ASN A 67 0.268 5.002 -8.338 1.00 0.00 C ATOM 1070 C ASN A 67 0.774 6.092 -7.369 1.00 0.00 C ATOM 1071 O ASN A 67 1.230 7.156 -7.806 1.00 0.00 O ATOM 1072 CB ASN A 67 -1.198 5.301 -8.767 1.00 0.00 C ATOM 1073 CG ASN A 67 -2.205 5.318 -7.610 1.00 0.00 C ATOM 1074 OD1 ASN A 67 -2.055 4.599 -6.630 1.00 0.00 O ATOM 1075 ND2 ASN A 67 -3.238 6.132 -7.723 1.00 0.00 N ATOM 0 H ASN A 67 -0.521 3.163 -7.696 1.00 0.00 H new ATOM 0 HA ASN A 67 0.905 5.018 -9.222 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -1.226 6.267 -9.272 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -1.511 4.552 -9.494 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -3.938 6.174 -6.982 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -3.336 6.719 -8.551 1.00 0.00 H new ATOM 1082 N LEU A 68 0.709 5.800 -6.052 1.00 0.00 N ATOM 1083 CA LEU A 68 1.167 6.711 -4.996 1.00 0.00 C ATOM 1084 C LEU A 68 2.685 6.549 -4.810 1.00 0.00 C ATOM 1085 O LEU A 68 3.440 7.526 -4.813 1.00 0.00 O ATOM 1086 CB LEU A 68 0.406 6.399 -3.670 1.00 0.00 C ATOM 1087 CG LEU A 68 -1.157 6.461 -3.747 1.00 0.00 C ATOM 1088 CD1 LEU A 68 -1.809 6.145 -2.376 1.00 0.00 C ATOM 1089 CD2 LEU A 68 -1.637 7.824 -4.302 1.00 0.00 C ATOM 0 H LEU A 68 0.335 4.920 -5.696 1.00 0.00 H new ATOM 0 HA LEU A 68 0.958 7.743 -5.276 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.695 5.403 -3.334 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.741 7.102 -2.908 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.481 5.688 -4.444 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.894 6.198 -2.468 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -1.520 5.143 -2.058 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.472 6.872 -1.637 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.726 7.837 -4.344 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.289 8.625 -3.650 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.234 7.971 -5.304 1.00 0.00 H new ATOM 1101 N GLY A 69 3.113 5.288 -4.678 1.00 0.00 N ATOM 1102 CA GLY A 69 4.513 4.937 -4.430 1.00 0.00 C ATOM 1103 C GLY A 69 4.641 3.531 -3.874 1.00 0.00 C ATOM 1104 O GLY A 69 3.699 2.750 -3.951 1.00 0.00 O ATOM 0 H GLY A 69 2.494 4.480 -4.741 1.00 0.00 H new ATOM 0 HA2 GLY A 69 5.079 5.016 -5.358 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.949 5.648 -3.729 1.00 0.00 H new ATOM 1108 N ASN A 70 5.806 3.206 -3.299 1.00 0.00 N ATOM 1109 CA ASN A 70 6.060 1.880 -2.719 1.00 0.00 C ATOM 1110 C ASN A 70 5.335 1.744 -1.373 1.00 0.00 C ATOM 1111 O ASN A 70 5.284 2.690 -0.576 1.00 0.00 O ATOM 1112 CB ASN A 70 7.574 1.627 -2.563 1.00 0.00 C ATOM 1113 CG ASN A 70 8.270 1.398 -3.902 1.00 0.00 C ATOM 1114 OD1 ASN A 70 8.371 0.270 -4.369 1.00 0.00 O ATOM 1115 ND2 ASN A 70 8.760 2.466 -4.528 1.00 0.00 N ATOM 0 H ASN A 70 6.594 3.849 -3.223 1.00 0.00 H new ATOM 0 HA ASN A 70 5.669 1.123 -3.399 1.00 0.00 H new ATOM 0 HB2 ASN A 70 8.032 2.479 -2.061 1.00 0.00 H new ATOM 0 HB3 ASN A 70 7.730 0.758 -1.923 1.00 0.00 H new ATOM 0 HD21 ASN A 70 9.236 2.358 -5.424 1.00 0.00 H new ATOM 0 HD22 ASN A 70 8.659 3.392 -4.112 1.00 0.00 H new ATOM 1122 N VAL A 71 4.758 0.561 -1.162 1.00 0.00 N ATOM 1123 CA VAL A 71 3.858 0.248 -0.045 1.00 0.00 C ATOM 1124 C VAL A 71 4.272 -1.100 0.580 1.00 0.00 C ATOM 1125 O VAL A 71 4.702 -2.007 -0.132 1.00 0.00 O ATOM 1126 CB VAL A 71 2.366 0.167 -0.571 1.00 0.00 C ATOM 1127 CG1 VAL A 71 1.365 -0.221 0.542 1.00 0.00 C ATOM 1128 CG2 VAL A 71 1.936 1.491 -1.256 1.00 0.00 C ATOM 0 H VAL A 71 4.907 -0.234 -1.783 1.00 0.00 H new ATOM 0 HA VAL A 71 3.924 1.031 0.711 1.00 0.00 H new ATOM 0 HB VAL A 71 2.345 -0.630 -1.315 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.358 -0.262 0.127 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.631 -1.198 0.946 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.400 0.523 1.338 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.907 1.402 -1.606 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.007 2.310 -0.541 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.591 1.692 -2.104 1.00 0.00 H new ATOM 1138 N ARG A 72 4.133 -1.216 1.912 1.00 0.00 N ATOM 1139 CA ARG A 72 4.312 -2.491 2.639 1.00 0.00 C ATOM 1140 C ARG A 72 2.943 -3.131 2.845 1.00 0.00 C ATOM 1141 O ARG A 72 2.065 -2.517 3.446 1.00 0.00 O ATOM 1142 CB ARG A 72 5.035 -2.279 4.012 1.00 0.00 C ATOM 1143 CG ARG A 72 6.571 -2.391 3.934 1.00 0.00 C ATOM 1144 CD ARG A 72 7.059 -3.843 3.777 1.00 0.00 C ATOM 1145 NE ARG A 72 8.482 -3.953 3.393 1.00 0.00 N ATOM 1146 CZ ARG A 72 9.545 -3.472 4.071 1.00 0.00 C ATOM 1147 NH1 ARG A 72 9.419 -2.800 5.210 1.00 0.00 N ATOM 1148 NH2 ARG A 72 10.757 -3.687 3.587 1.00 0.00 N ATOM 0 H ARG A 72 3.894 -0.431 2.517 1.00 0.00 H new ATOM 0 HA ARG A 72 4.947 -3.150 2.046 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.772 -1.296 4.402 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.663 -3.015 4.725 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.931 -1.799 3.093 1.00 0.00 H new ATOM 0 HG3 ARG A 72 7.008 -1.962 4.836 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.903 -4.373 4.717 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.449 -4.343 3.024 1.00 0.00 H new ATOM 0 HE ARG A 72 8.682 -4.445 2.522 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.493 -2.631 5.603 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.248 -2.453 5.692 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.874 -4.207 2.718 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.575 -3.332 4.083 1.00 0.00 H new ATOM 1162 N VAL A 73 2.783 -4.369 2.346 1.00 0.00 N ATOM 1163 CA VAL A 73 1.533 -5.123 2.460 1.00 0.00 C ATOM 1164 C VAL A 73 1.346 -5.541 3.934 1.00 0.00 C ATOM 1165 O VAL A 73 2.092 -6.381 4.440 1.00 0.00 O ATOM 1166 CB VAL A 73 1.555 -6.385 1.510 1.00 0.00 C ATOM 1167 CG1 VAL A 73 0.220 -7.159 1.549 1.00 0.00 C ATOM 1168 CG2 VAL A 73 1.926 -5.972 0.065 1.00 0.00 C ATOM 0 H VAL A 73 3.521 -4.871 1.852 1.00 0.00 H new ATOM 0 HA VAL A 73 0.694 -4.500 2.150 1.00 0.00 H new ATOM 0 HB VAL A 73 2.324 -7.064 1.879 1.00 0.00 H new ATOM 0 HG11 VAL A 73 0.278 -8.019 0.882 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.027 -7.501 2.566 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.590 -6.504 1.227 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.936 -6.855 -0.574 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.191 -5.260 -0.310 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.913 -5.510 0.061 1.00 0.00 H new ATOM 1178 N THR A 74 0.375 -4.920 4.618 1.00 0.00 N ATOM 1179 CA THR A 74 0.195 -5.066 6.075 1.00 0.00 C ATOM 1180 C THR A 74 -0.748 -6.227 6.397 1.00 0.00 C ATOM 1181 O THR A 74 -0.612 -6.875 7.438 1.00 0.00 O ATOM 1182 CB THR A 74 -0.360 -3.748 6.697 1.00 0.00 C ATOM 1183 OG1 THR A 74 -1.570 -3.365 6.026 1.00 0.00 O ATOM 1184 CG2 THR A 74 0.663 -2.605 6.615 1.00 0.00 C ATOM 0 H THR A 74 -0.309 -4.302 4.180 1.00 0.00 H new ATOM 0 HA THR A 74 1.172 -5.279 6.510 1.00 0.00 H new ATOM 0 HB THR A 74 -0.565 -3.938 7.751 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.915 -2.537 6.421 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.239 -1.704 7.059 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.566 -2.886 7.157 1.00 0.00 H new ATOM 0 HG23 THR A 74 0.911 -2.413 5.571 1.00 0.00 H new ATOM 1192 N SER A 75 -1.691 -6.477 5.483 1.00 0.00 N ATOM 1193 CA SER A 75 -2.706 -7.536 5.619 1.00 0.00 C ATOM 1194 C SER A 75 -2.470 -8.612 4.544 1.00 0.00 C ATOM 1195 O SER A 75 -1.424 -8.621 3.883 1.00 0.00 O ATOM 1196 CB SER A 75 -4.108 -6.900 5.496 1.00 0.00 C ATOM 1197 OG SER A 75 -5.149 -7.832 5.746 1.00 0.00 O ATOM 0 H SER A 75 -1.775 -5.946 4.616 1.00 0.00 H new ATOM 0 HA SER A 75 -2.633 -8.019 6.593 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.190 -6.070 6.198 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.229 -6.484 4.496 1.00 0.00 H new ATOM 0 HG SER A 75 -6.017 -7.385 5.658 1.00 0.00 H new ATOM 1203 N ARG A 76 -3.431 -9.531 4.404 1.00 0.00 N ATOM 1204 CA ARG A 76 -3.421 -10.557 3.357 1.00 0.00 C ATOM 1205 C ARG A 76 -3.673 -9.921 1.962 1.00 0.00 C ATOM 1206 O ARG A 76 -4.418 -8.936 1.855 1.00 0.00 O ATOM 1207 CB ARG A 76 -4.501 -11.621 3.676 1.00 0.00 C ATOM 1208 CG ARG A 76 -4.305 -12.333 5.037 1.00 0.00 C ATOM 1209 CD ARG A 76 -5.327 -13.452 5.282 1.00 0.00 C ATOM 1210 NE ARG A 76 -5.248 -14.510 4.252 1.00 0.00 N ATOM 1211 CZ ARG A 76 -5.401 -15.824 4.478 1.00 0.00 C ATOM 1212 NH1 ARG A 76 -5.604 -16.287 5.703 1.00 0.00 N ATOM 1213 NH2 ARG A 76 -5.351 -16.680 3.473 1.00 0.00 N ATOM 0 H ARG A 76 -4.243 -9.584 5.019 1.00 0.00 H new ATOM 0 HA ARG A 76 -2.442 -11.035 3.332 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -5.481 -11.143 3.666 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -4.503 -12.369 2.884 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -3.299 -12.751 5.080 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.380 -11.599 5.839 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -5.156 -13.890 6.265 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -6.332 -13.030 5.291 1.00 0.00 H new ATOM 0 HE ARG A 76 -5.062 -14.218 3.293 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -5.646 -15.642 6.492 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.718 -17.289 5.857 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -5.196 -16.343 2.523 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -5.468 -17.678 3.647 1.00 0.00 H new ATOM 1227 N PRO A 77 -3.029 -10.443 0.876 1.00 0.00 N ATOM 1228 CA PRO A 77 -3.310 -9.987 -0.507 1.00 0.00 C ATOM 1229 C PRO A 77 -4.605 -10.606 -1.076 1.00 0.00 C ATOM 1230 O PRO A 77 -5.080 -11.635 -0.582 1.00 0.00 O ATOM 1231 CB PRO A 77 -2.063 -10.460 -1.279 1.00 0.00 C ATOM 1232 CG PRO A 77 -1.648 -11.716 -0.570 1.00 0.00 C ATOM 1233 CD PRO A 77 -1.958 -11.487 0.898 1.00 0.00 C ATOM 0 HA PRO A 77 -3.479 -8.912 -0.574 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -2.292 -10.651 -2.327 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -1.272 -9.710 -1.257 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -2.192 -12.579 -0.954 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.587 -11.916 -0.719 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -2.300 -12.402 1.382 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.078 -11.147 1.445 1.00 0.00 H new ATOM 1241 N GLY A 78 -5.130 -9.978 -2.144 1.00 0.00 N ATOM 1242 CA GLY A 78 -6.400 -10.361 -2.760 1.00 0.00 C ATOM 1243 C GLY A 78 -7.578 -10.329 -1.786 1.00 0.00 C ATOM 1244 O GLY A 78 -8.227 -9.293 -1.633 1.00 0.00 O ATOM 0 H GLY A 78 -4.677 -9.187 -2.602 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -6.608 -9.690 -3.594 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -6.307 -11.365 -3.174 1.00 0.00 H new ATOM 1248 N GLN A 79 -7.786 -11.496 -1.119 1.00 0.00 N ATOM 1249 CA GLN A 79 -8.855 -11.801 -0.123 1.00 0.00 C ATOM 1250 C GLN A 79 -10.305 -11.502 -0.623 1.00 0.00 C ATOM 1251 O GLN A 79 -11.104 -12.432 -0.792 1.00 0.00 O ATOM 1252 CB GLN A 79 -8.552 -11.224 1.316 1.00 0.00 C ATOM 1253 CG GLN A 79 -8.491 -9.688 1.476 1.00 0.00 C ATOM 1254 CD GLN A 79 -8.197 -9.234 2.917 1.00 0.00 C ATOM 1255 OE1 GLN A 79 -9.106 -9.056 3.725 1.00 0.00 O ATOM 1256 NE2 GLN A 79 -6.930 -9.015 3.238 1.00 0.00 N ATOM 0 H GLN A 79 -7.176 -12.299 -1.270 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.827 -12.885 -0.014 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -9.315 -11.602 1.996 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -7.598 -11.634 1.648 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -7.721 -9.292 0.814 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -9.440 -9.259 1.154 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -6.195 -9.171 2.548 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -6.690 -8.691 4.175 1.00 0.00 H new ATOM 1265 N ASP A 80 -10.645 -10.226 -0.852 1.00 0.00 N ATOM 1266 CA ASP A 80 -11.967 -9.810 -1.360 1.00 0.00 C ATOM 1267 C ASP A 80 -11.778 -8.568 -2.262 1.00 0.00 C ATOM 1268 O ASP A 80 -12.567 -7.610 -2.244 1.00 0.00 O ATOM 1269 CB ASP A 80 -12.914 -9.546 -0.151 1.00 0.00 C ATOM 1270 CG ASP A 80 -14.361 -9.198 -0.537 1.00 0.00 C ATOM 1271 OD1 ASP A 80 -15.012 -9.999 -1.231 1.00 0.00 O ATOM 1272 OD2 ASP A 80 -14.864 -8.136 -0.125 1.00 0.00 O ATOM 0 H ASP A 80 -10.009 -9.445 -0.690 1.00 0.00 H new ATOM 0 HA ASP A 80 -12.430 -10.589 -1.966 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -12.924 -10.431 0.486 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -12.504 -8.730 0.444 1.00 0.00 H new ATOM 1277 N GLY A 81 -10.712 -8.620 -3.090 1.00 0.00 N ATOM 1278 CA GLY A 81 -10.288 -7.478 -3.916 1.00 0.00 C ATOM 1279 C GLY A 81 -9.822 -6.282 -3.089 1.00 0.00 C ATOM 1280 O GLY A 81 -9.719 -5.163 -3.606 1.00 0.00 O ATOM 0 H GLY A 81 -10.128 -9.449 -3.201 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -9.479 -7.794 -4.575 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -11.117 -7.171 -4.554 1.00 0.00 H new ATOM 1284 N VAL A 82 -9.525 -6.538 -1.805 1.00 0.00 N ATOM 1285 CA VAL A 82 -9.184 -5.504 -0.826 1.00 0.00 C ATOM 1286 C VAL A 82 -7.923 -5.916 -0.038 1.00 0.00 C ATOM 1287 O VAL A 82 -7.975 -6.587 0.994 1.00 0.00 O ATOM 1288 CB VAL A 82 -10.419 -5.179 0.119 1.00 0.00 C ATOM 1289 CG1 VAL A 82 -11.009 -6.452 0.776 1.00 0.00 C ATOM 1290 CG2 VAL A 82 -10.057 -4.108 1.183 1.00 0.00 C ATOM 0 H VAL A 82 -9.516 -7.481 -1.417 1.00 0.00 H new ATOM 0 HA VAL A 82 -8.952 -4.578 -1.352 1.00 0.00 H new ATOM 0 HB VAL A 82 -11.199 -4.762 -0.518 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -11.850 -6.177 1.412 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -11.350 -7.137 -0.000 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -10.243 -6.939 1.379 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -10.926 -3.911 1.811 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -9.237 -4.472 1.802 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -9.754 -3.187 0.684 1.00 0.00 H new ATOM 1300 N ILE A 83 -6.772 -5.534 -0.588 1.00 0.00 N ATOM 1301 CA ILE A 83 -5.471 -5.659 0.086 1.00 0.00 C ATOM 1302 C ILE A 83 -5.322 -4.434 0.999 1.00 0.00 C ATOM 1303 O ILE A 83 -5.889 -3.384 0.696 1.00 0.00 O ATOM 1304 CB ILE A 83 -4.293 -5.700 -0.962 1.00 0.00 C ATOM 1305 CG1 ILE A 83 -4.592 -6.741 -2.088 1.00 0.00 C ATOM 1306 CG2 ILE A 83 -2.931 -6.005 -0.275 1.00 0.00 C ATOM 1307 CD1 ILE A 83 -3.641 -6.699 -3.268 1.00 0.00 C ATOM 0 H ILE A 83 -6.710 -5.125 -1.521 1.00 0.00 H new ATOM 0 HA ILE A 83 -5.427 -6.586 0.657 1.00 0.00 H new ATOM 0 HB ILE A 83 -4.219 -4.712 -1.417 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.565 -7.741 -1.654 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.606 -6.579 -2.452 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -2.141 -6.026 -1.026 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.713 -5.230 0.460 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -2.984 -6.973 0.223 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -3.930 -7.458 -3.995 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -3.683 -5.715 -3.734 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -2.625 -6.895 -2.924 1.00 0.00 H new ATOM 1319 N ASN A 84 -4.622 -4.565 2.127 1.00 0.00 N ATOM 1320 CA ASN A 84 -4.283 -3.409 2.978 1.00 0.00 C ATOM 1321 C ASN A 84 -2.768 -3.269 3.044 1.00 0.00 C ATOM 1322 O ASN A 84 -2.041 -4.273 3.059 1.00 0.00 O ATOM 1323 CB ASN A 84 -4.879 -3.557 4.393 1.00 0.00 C ATOM 1324 CG ASN A 84 -6.403 -3.753 4.384 1.00 0.00 C ATOM 1325 OD1 ASN A 84 -6.891 -4.882 4.330 1.00 0.00 O ATOM 1326 ND2 ASN A 84 -7.155 -2.667 4.415 1.00 0.00 N ATOM 0 H ASN A 84 -4.276 -5.458 2.478 1.00 0.00 H new ATOM 0 HA ASN A 84 -4.715 -2.509 2.540 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -4.412 -4.406 4.891 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -4.635 -2.671 4.979 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -8.171 -2.750 4.394 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -6.719 -1.746 4.460 1.00 0.00 H new ATOM 1333 N GLY A 85 -2.309 -2.015 3.074 1.00 0.00 N ATOM 1334 CA GLY A 85 -0.895 -1.690 3.164 1.00 0.00 C ATOM 1335 C GLY A 85 -0.668 -0.320 3.784 1.00 0.00 C ATOM 1336 O GLY A 85 -1.630 0.356 4.153 1.00 0.00 O ATOM 0 H GLY A 85 -2.917 -1.197 3.036 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.385 -2.447 3.760 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.452 -1.716 2.168 1.00 0.00 H new ATOM 1340 N VAL A 86 0.610 0.078 3.925 1.00 0.00 N ATOM 1341 CA VAL A 86 1.007 1.428 4.401 1.00 0.00 C ATOM 1342 C VAL A 86 2.031 2.051 3.439 1.00 0.00 C ATOM 1343 O VAL A 86 2.950 1.365 2.972 1.00 0.00 O ATOM 1344 CB VAL A 86 1.589 1.415 5.872 1.00 0.00 C ATOM 1345 CG1 VAL A 86 0.478 1.113 6.908 1.00 0.00 C ATOM 1346 CG2 VAL A 86 2.778 0.426 6.011 1.00 0.00 C ATOM 0 H VAL A 86 1.404 -0.526 3.713 1.00 0.00 H new ATOM 0 HA VAL A 86 0.100 2.033 4.421 1.00 0.00 H new ATOM 0 HB VAL A 86 1.976 2.413 6.080 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.906 1.110 7.910 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.295 1.879 6.846 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.040 0.137 6.698 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.150 0.446 7.035 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.443 -0.582 5.766 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.576 0.719 5.329 1.00 0.00 H new ATOM 1356 N LEU A 87 1.860 3.351 3.136 1.00 0.00 N ATOM 1357 CA LEU A 87 2.738 4.070 2.200 1.00 0.00 C ATOM 1358 C LEU A 87 4.118 4.288 2.834 1.00 0.00 C ATOM 1359 O LEU A 87 4.276 5.117 3.733 1.00 0.00 O ATOM 1360 CB LEU A 87 2.102 5.423 1.796 1.00 0.00 C ATOM 1361 CG LEU A 87 2.833 6.223 0.668 1.00 0.00 C ATOM 1362 CD1 LEU A 87 2.995 5.378 -0.625 1.00 0.00 C ATOM 1363 CD2 LEU A 87 2.093 7.546 0.374 1.00 0.00 C ATOM 0 H LEU A 87 1.116 3.927 3.530 1.00 0.00 H new ATOM 0 HA LEU A 87 2.861 3.468 1.300 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.077 5.237 1.474 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.048 6.054 2.683 1.00 0.00 H new ATOM 0 HG LEU A 87 3.835 6.459 1.027 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.507 5.969 -1.384 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.580 4.485 -0.405 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.012 5.086 -0.995 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.616 8.089 -0.413 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.075 7.329 0.050 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.064 8.155 1.277 1.00 0.00 H new ATOM 1375 N ILE A 88 5.103 3.514 2.368 1.00 0.00 N ATOM 1376 CA ILE A 88 6.482 3.590 2.862 1.00 0.00 C ATOM 1377 C ILE A 88 7.332 4.473 1.944 1.00 0.00 C ATOM 1378 O ILE A 88 6.920 4.842 0.834 1.00 0.00 O ATOM 1379 CB ILE A 88 7.138 2.163 3.002 1.00 0.00 C ATOM 1380 CG1 ILE A 88 7.269 1.467 1.603 1.00 0.00 C ATOM 1381 CG2 ILE A 88 6.325 1.299 3.999 1.00 0.00 C ATOM 1382 CD1 ILE A 88 7.979 0.130 1.588 1.00 0.00 C ATOM 0 H ILE A 88 4.967 2.816 1.637 1.00 0.00 H new ATOM 0 HA ILE A 88 6.446 4.036 3.856 1.00 0.00 H new ATOM 0 HB ILE A 88 8.147 2.276 3.399 1.00 0.00 H new ATOM 0 HG12 ILE A 88 6.268 1.329 1.194 1.00 0.00 H new ATOM 0 HG13 ILE A 88 7.797 2.144 0.931 1.00 0.00 H new ATOM 0 HG21 ILE A 88 6.786 0.316 4.088 1.00 0.00 H new ATOM 0 HG22 ILE A 88 6.313 1.784 4.975 1.00 0.00 H new ATOM 0 HG23 ILE A 88 5.303 1.189 3.636 1.00 0.00 H new ATOM 0 HD11 ILE A 88 8.009 -0.255 0.569 1.00 0.00 H new ATOM 0 HD12 ILE A 88 8.996 0.254 1.959 1.00 0.00 H new ATOM 0 HD13 ILE A 88 7.443 -0.574 2.225 1.00 0.00 H new ATOM 1394 N ARG A 89 8.526 4.805 2.440 1.00 0.00 N ATOM 1395 CA ARG A 89 9.524 5.602 1.715 1.00 0.00 C ATOM 1396 C ARG A 89 10.873 4.850 1.730 1.00 0.00 C ATOM 1397 O ARG A 89 11.942 5.468 1.645 1.00 0.00 O ATOM 1398 CB ARG A 89 9.650 7.022 2.350 1.00 0.00 C ATOM 1399 CG ARG A 89 8.313 7.792 2.492 1.00 0.00 C ATOM 1400 CD ARG A 89 8.489 9.254 2.934 1.00 0.00 C ATOM 1401 NE ARG A 89 7.190 9.915 3.162 1.00 0.00 N ATOM 1402 CZ ARG A 89 6.985 11.241 3.222 1.00 0.00 C ATOM 1403 NH1 ARG A 89 7.965 12.100 2.961 1.00 0.00 N ATOM 1404 NH2 ARG A 89 5.784 11.704 3.523 1.00 0.00 N ATOM 0 H ARG A 89 8.834 4.524 3.371 1.00 0.00 H new ATOM 0 HA ARG A 89 9.212 5.738 0.680 1.00 0.00 H new ATOM 0 HB2 ARG A 89 10.103 6.924 3.336 1.00 0.00 H new ATOM 0 HB3 ARG A 89 10.333 7.617 1.743 1.00 0.00 H new ATOM 0 HG2 ARG A 89 7.788 7.771 1.537 1.00 0.00 H new ATOM 0 HG3 ARG A 89 7.681 7.276 3.215 1.00 0.00 H new ATOM 0 HD2 ARG A 89 9.081 9.289 3.849 1.00 0.00 H new ATOM 0 HD3 ARG A 89 9.046 9.800 2.173 1.00 0.00 H new ATOM 0 HE ARG A 89 6.376 9.312 3.285 1.00 0.00 H new ATOM 0 HH11 ARG A 89 8.892 11.756 2.710 1.00 0.00 H new ATOM 0 HH12 ARG A 89 7.790 13.104 3.012 1.00 0.00 H new ATOM 0 HH21 ARG A 89 5.019 11.055 3.708 1.00 0.00 H new ATOM 0 HH22 ARG A 89 5.622 12.710 3.570 1.00 0.00 H new ATOM 1418 N GLU A 90 10.794 3.494 1.838 1.00 0.00 N ATOM 1419 CA GLU A 90 11.963 2.588 1.710 1.00 0.00 C ATOM 1420 C GLU A 90 12.586 2.834 0.322 1.00 0.00 C ATOM 1421 O GLU A 90 13.729 3.278 0.198 1.00 0.00 O ATOM 1422 CB GLU A 90 11.504 1.093 1.891 1.00 0.00 C ATOM 1423 CG GLU A 90 12.592 0.078 2.334 1.00 0.00 C ATOM 1424 CD GLU A 90 13.771 -0.089 1.350 1.00 0.00 C ATOM 1425 OE1 GLU A 90 13.535 -0.461 0.188 1.00 0.00 O ATOM 1426 OE2 GLU A 90 14.939 0.127 1.747 1.00 0.00 O ATOM 0 H GLU A 90 9.918 3.003 2.016 1.00 0.00 H new ATOM 0 HA GLU A 90 12.707 2.786 2.481 1.00 0.00 H new ATOM 0 HB2 GLU A 90 10.699 1.071 2.625 1.00 0.00 H new ATOM 0 HB3 GLU A 90 11.083 0.750 0.946 1.00 0.00 H new ATOM 0 HG2 GLU A 90 12.987 0.391 3.300 1.00 0.00 H new ATOM 0 HG3 GLU A 90 12.122 -0.894 2.482 1.00 0.00 H new ATOM 1433 N LEU A 91 11.794 2.543 -0.710 1.00 0.00 N ATOM 1434 CA LEU A 91 11.982 3.114 -2.039 1.00 0.00 C ATOM 1435 C LEU A 91 10.914 4.188 -2.220 1.00 0.00 C ATOM 1436 O LEU A 91 9.721 3.893 -2.152 1.00 0.00 O ATOM 1437 CB LEU A 91 11.861 2.042 -3.154 1.00 0.00 C ATOM 1438 CG LEU A 91 12.952 0.929 -3.185 1.00 0.00 C ATOM 1439 CD1 LEU A 91 12.777 0.027 -4.426 1.00 0.00 C ATOM 1440 CD2 LEU A 91 14.380 1.519 -3.109 1.00 0.00 C ATOM 0 H LEU A 91 11.003 1.903 -0.645 1.00 0.00 H new ATOM 0 HA LEU A 91 12.985 3.532 -2.121 1.00 0.00 H new ATOM 0 HB2 LEU A 91 10.888 1.560 -3.057 1.00 0.00 H new ATOM 0 HB3 LEU A 91 11.870 2.552 -4.117 1.00 0.00 H new ATOM 0 HG LEU A 91 12.819 0.311 -2.297 1.00 0.00 H new ATOM 0 HD11 LEU A 91 13.549 -0.743 -4.428 1.00 0.00 H new ATOM 0 HD12 LEU A 91 11.794 -0.444 -4.398 1.00 0.00 H new ATOM 0 HD13 LEU A 91 12.864 0.630 -5.330 1.00 0.00 H new ATOM 0 HD21 LEU A 91 15.110 0.710 -3.133 1.00 0.00 H new ATOM 0 HD22 LEU A 91 14.545 2.182 -3.958 1.00 0.00 H new ATOM 0 HD23 LEU A 91 14.493 2.081 -2.182 1.00 0.00 H new