USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=6 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= 0.0671 K(o=0.059,f=-1.1) USER MOD Set 1.2: A 84 ASN : amide:sc=-0.00807 K(o=0.059,f=-3.5) USER MOD Single : A 23 THR OG1 : rot 34:sc= 0.215 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.317 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -63:sc= 1.45 USER MOD Single : A 67 ASN : amide:sc= -0.614 K(o=-0.61,f=-7.1!) USER MOD Single : A 70 ASN : amide:sc= 0.0543 K(o=0.054,f=-4.6!) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.143 USER MOD Single : A 75 SER OG : rot 180:sc= -0.167 USER MOD Single : A 79 GLN : amide:sc= -0.444 K(o=-0.44,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 366 N THR A 23 -5.515 -4.087 -10.154 1.00 0.00 N ATOM 367 CA THR A 23 -5.074 -4.471 -8.804 1.00 0.00 C ATOM 368 C THR A 23 -5.304 -3.301 -7.829 1.00 0.00 C ATOM 369 O THR A 23 -4.683 -2.255 -7.977 1.00 0.00 O ATOM 370 CB THR A 23 -3.562 -4.892 -8.777 1.00 0.00 C ATOM 371 OG1 THR A 23 -3.264 -5.761 -9.878 1.00 0.00 O ATOM 372 CG2 THR A 23 -3.208 -5.621 -7.469 1.00 0.00 C ATOM 0 HA THR A 23 -5.664 -5.335 -8.497 1.00 0.00 H new ATOM 0 HB THR A 23 -2.971 -3.979 -8.850 1.00 0.00 H new ATOM 0 HG1 THR A 23 -3.811 -5.509 -10.651 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.154 -5.899 -7.481 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.399 -4.962 -6.622 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.819 -6.519 -7.376 1.00 0.00 H new ATOM 380 N ARG A 24 -6.183 -3.491 -6.832 1.00 0.00 N ATOM 381 CA ARG A 24 -6.550 -2.446 -5.849 1.00 0.00 C ATOM 382 C ARG A 24 -5.922 -2.756 -4.478 1.00 0.00 C ATOM 383 O ARG A 24 -5.792 -3.928 -4.094 1.00 0.00 O ATOM 384 CB ARG A 24 -8.096 -2.342 -5.715 1.00 0.00 C ATOM 385 CG ARG A 24 -8.825 -1.789 -6.963 1.00 0.00 C ATOM 386 CD ARG A 24 -8.572 -0.294 -7.196 1.00 0.00 C ATOM 387 NE ARG A 24 -9.428 0.249 -8.267 1.00 0.00 N ATOM 388 CZ ARG A 24 -9.247 1.428 -8.885 1.00 0.00 C ATOM 389 NH1 ARG A 24 -8.168 2.167 -8.638 1.00 0.00 N ATOM 390 NH2 ARG A 24 -10.136 1.848 -9.774 1.00 0.00 N ATOM 0 H ARG A 24 -6.665 -4.377 -6.680 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.165 -1.490 -6.205 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -8.493 -3.332 -5.489 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.330 -1.703 -4.863 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.502 -2.347 -7.842 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.896 -1.957 -6.855 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.756 0.254 -6.272 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -7.525 -0.139 -7.455 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.223 -0.317 -8.563 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -7.467 1.840 -7.973 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -8.042 3.060 -9.114 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -10.954 1.277 -9.987 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -10.002 2.743 -10.245 1.00 0.00 H new ATOM 404 N ILE A 25 -5.538 -1.686 -3.767 1.00 0.00 N ATOM 405 CA ILE A 25 -5.005 -1.752 -2.399 1.00 0.00 C ATOM 406 C ILE A 25 -5.421 -0.489 -1.626 1.00 0.00 C ATOM 407 O ILE A 25 -5.475 0.596 -2.203 1.00 0.00 O ATOM 408 CB ILE A 25 -3.430 -1.891 -2.401 1.00 0.00 C ATOM 409 CG1 ILE A 25 -2.855 -1.934 -0.944 1.00 0.00 C ATOM 410 CG2 ILE A 25 -2.772 -0.756 -3.230 1.00 0.00 C ATOM 411 CD1 ILE A 25 -1.359 -2.177 -0.841 1.00 0.00 C ATOM 0 H ILE A 25 -5.590 -0.735 -4.133 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.417 -2.635 -1.911 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.184 -2.840 -2.877 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.087 -0.990 -0.452 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.372 -2.718 -0.390 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.689 -0.875 -3.215 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -3.128 -0.804 -4.259 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.037 0.210 -2.799 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.064 -2.188 0.208 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.114 -3.136 -1.297 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.825 -1.381 -1.360 1.00 0.00 H new ATOM 423 N ASN A 26 -5.701 -0.633 -0.326 1.00 0.00 N ATOM 424 CA ASN A 26 -5.984 0.511 0.550 1.00 0.00 C ATOM 425 C ASN A 26 -4.659 0.963 1.182 1.00 0.00 C ATOM 426 O ASN A 26 -4.156 0.328 2.113 1.00 0.00 O ATOM 427 CB ASN A 26 -7.029 0.119 1.623 1.00 0.00 C ATOM 428 CG ASN A 26 -8.391 -0.220 1.011 1.00 0.00 C ATOM 429 OD1 ASN A 26 -9.255 0.643 0.879 1.00 0.00 O ATOM 430 ND2 ASN A 26 -8.584 -1.472 0.611 1.00 0.00 N ATOM 0 H ASN A 26 -5.738 -1.537 0.146 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.410 1.337 -0.019 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.663 -0.739 2.187 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -7.145 0.940 2.331 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -9.469 -1.739 0.180 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -7.847 -2.166 0.734 1.00 0.00 H new ATOM 437 N VAL A 27 -4.089 2.043 0.619 1.00 0.00 N ATOM 438 CA VAL A 27 -2.780 2.580 1.020 1.00 0.00 C ATOM 439 C VAL A 27 -2.977 3.607 2.141 1.00 0.00 C ATOM 440 O VAL A 27 -3.518 4.692 1.910 1.00 0.00 O ATOM 441 CB VAL A 27 -2.031 3.249 -0.196 1.00 0.00 C ATOM 442 CG1 VAL A 27 -0.638 3.781 0.216 1.00 0.00 C ATOM 443 CG2 VAL A 27 -1.921 2.265 -1.378 1.00 0.00 C ATOM 0 H VAL A 27 -4.530 2.571 -0.134 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.164 1.754 1.374 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.623 4.105 -0.519 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.152 4.235 -0.648 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.751 4.527 1.002 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.028 2.956 0.584 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.401 2.747 -2.206 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.364 1.381 -1.065 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.920 1.970 -1.700 1.00 0.00 H new ATOM 453 N VAL A 28 -2.527 3.249 3.342 1.00 0.00 N ATOM 454 CA VAL A 28 -2.695 4.061 4.545 1.00 0.00 C ATOM 455 C VAL A 28 -1.385 4.794 4.849 1.00 0.00 C ATOM 456 O VAL A 28 -0.396 4.156 5.204 1.00 0.00 O ATOM 457 CB VAL A 28 -3.096 3.162 5.780 1.00 0.00 C ATOM 458 CG1 VAL A 28 -3.388 4.010 7.037 1.00 0.00 C ATOM 459 CG2 VAL A 28 -4.288 2.237 5.434 1.00 0.00 C ATOM 0 H VAL A 28 -2.029 2.375 3.509 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.494 4.782 4.370 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.239 2.529 6.013 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.660 3.354 7.864 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.499 4.582 7.305 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.211 4.694 6.831 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.542 1.630 6.303 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.149 2.843 5.151 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.014 1.586 4.604 1.00 0.00 H new ATOM 469 N ASP A 29 -1.370 6.110 4.642 1.00 0.00 N ATOM 470 CA ASP A 29 -0.250 6.974 5.054 1.00 0.00 C ATOM 471 C ASP A 29 -0.047 6.850 6.573 1.00 0.00 C ATOM 472 O ASP A 29 -0.934 7.218 7.327 1.00 0.00 O ATOM 473 CB ASP A 29 -0.515 8.454 4.667 1.00 0.00 C ATOM 474 CG ASP A 29 -0.465 8.690 3.155 1.00 0.00 C ATOM 475 OD1 ASP A 29 -1.164 7.982 2.409 1.00 0.00 O ATOM 476 OD2 ASP A 29 0.267 9.588 2.701 1.00 0.00 O ATOM 0 H ASP A 29 -2.131 6.613 4.185 1.00 0.00 H new ATOM 0 HA ASP A 29 0.653 6.651 4.535 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -1.492 8.754 5.045 1.00 0.00 H new ATOM 0 HB3 ASP A 29 0.224 9.090 5.154 1.00 0.00 H new ATOM 481 N PRO A 30 1.108 6.304 7.049 1.00 0.00 N ATOM 482 CA PRO A 30 1.336 6.063 8.496 1.00 0.00 C ATOM 483 C PRO A 30 1.713 7.348 9.268 1.00 0.00 C ATOM 484 O PRO A 30 1.830 7.331 10.494 1.00 0.00 O ATOM 485 CB PRO A 30 2.483 5.025 8.481 1.00 0.00 C ATOM 486 CG PRO A 30 3.278 5.377 7.259 1.00 0.00 C ATOM 487 CD PRO A 30 2.282 5.878 6.232 1.00 0.00 C ATOM 0 HA PRO A 30 0.443 5.717 9.017 1.00 0.00 H new ATOM 0 HB2 PRO A 30 3.090 5.089 9.384 1.00 0.00 H new ATOM 0 HB3 PRO A 30 2.098 4.007 8.427 1.00 0.00 H new ATOM 0 HG2 PRO A 30 4.021 6.142 7.486 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.819 4.508 6.884 1.00 0.00 H new ATOM 0 HD2 PRO A 30 2.688 6.708 5.653 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.012 5.096 5.522 1.00 0.00 H new ATOM 495 N GLU A 31 1.900 8.448 8.526 1.00 0.00 N ATOM 496 CA GLU A 31 2.283 9.754 9.081 1.00 0.00 C ATOM 497 C GLU A 31 1.043 10.649 9.312 1.00 0.00 C ATOM 498 O GLU A 31 0.834 11.150 10.422 1.00 0.00 O ATOM 499 CB GLU A 31 3.316 10.425 8.124 1.00 0.00 C ATOM 500 CG GLU A 31 2.911 10.450 6.625 1.00 0.00 C ATOM 501 CD GLU A 31 4.073 10.818 5.691 1.00 0.00 C ATOM 502 OE1 GLU A 31 4.843 9.913 5.294 1.00 0.00 O ATOM 503 OE2 GLU A 31 4.233 12.003 5.351 1.00 0.00 O ATOM 0 H GLU A 31 1.788 8.456 7.512 1.00 0.00 H new ATOM 0 HA GLU A 31 2.747 9.614 10.057 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.482 11.450 8.456 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.267 9.901 8.218 1.00 0.00 H new ATOM 0 HG2 GLU A 31 2.523 9.471 6.344 1.00 0.00 H new ATOM 0 HG3 GLU A 31 2.101 11.166 6.486 1.00 0.00 H new ATOM 510 N THR A 32 0.222 10.831 8.265 1.00 0.00 N ATOM 511 CA THR A 32 -0.995 11.663 8.320 1.00 0.00 C ATOM 512 C THR A 32 -2.226 10.833 8.725 1.00 0.00 C ATOM 513 O THR A 32 -3.151 11.346 9.365 1.00 0.00 O ATOM 514 CB THR A 32 -1.234 12.353 6.940 1.00 0.00 C ATOM 515 OG1 THR A 32 -1.311 11.352 5.909 1.00 0.00 O ATOM 516 CG2 THR A 32 -0.111 13.350 6.597 1.00 0.00 C ATOM 0 H THR A 32 0.383 10.404 7.353 1.00 0.00 H new ATOM 0 HA THR A 32 -0.847 12.429 9.082 1.00 0.00 H new ATOM 0 HB THR A 32 -2.171 12.907 7.002 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.463 11.785 5.043 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.315 13.809 5.629 1.00 0.00 H new ATOM 0 HG22 THR A 32 -0.065 14.124 7.363 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.843 12.824 6.556 1.00 0.00 H new ATOM 524 N GLY A 33 -2.219 9.543 8.351 1.00 0.00 N ATOM 525 CA GLY A 33 -3.320 8.618 8.649 1.00 0.00 C ATOM 526 C GLY A 33 -4.233 8.367 7.453 1.00 0.00 C ATOM 527 O GLY A 33 -5.043 7.436 7.485 1.00 0.00 O ATOM 0 H GLY A 33 -1.451 9.115 7.835 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.907 7.668 8.988 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.911 9.020 9.472 1.00 0.00 H new ATOM 531 N LYS A 34 -4.072 9.180 6.389 1.00 0.00 N ATOM 532 CA LYS A 34 -5.003 9.215 5.241 1.00 0.00 C ATOM 533 C LYS A 34 -4.932 7.914 4.419 1.00 0.00 C ATOM 534 O LYS A 34 -3.856 7.516 3.973 1.00 0.00 O ATOM 535 CB LYS A 34 -4.703 10.440 4.326 1.00 0.00 C ATOM 536 CG LYS A 34 -4.541 11.793 5.063 1.00 0.00 C ATOM 537 CD LYS A 34 -5.754 12.173 5.947 1.00 0.00 C ATOM 538 CE LYS A 34 -5.517 13.478 6.734 1.00 0.00 C ATOM 539 NZ LYS A 34 -6.624 13.774 7.683 1.00 0.00 N ATOM 0 H LYS A 34 -3.292 9.832 6.301 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.012 9.310 5.641 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.790 10.239 3.765 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.509 10.535 3.599 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.648 11.752 5.686 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.379 12.580 4.326 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.638 12.285 5.319 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.960 11.362 6.646 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.580 13.402 7.285 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.410 14.307 6.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.420 14.660 8.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.515 13.873 7.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.711 12.996 8.368 1.00 0.00 H new ATOM 553 N VAL A 35 -6.090 7.263 4.238 1.00 0.00 N ATOM 554 CA VAL A 35 -6.221 6.059 3.392 1.00 0.00 C ATOM 555 C VAL A 35 -6.703 6.474 1.993 1.00 0.00 C ATOM 556 O VAL A 35 -7.635 7.274 1.876 1.00 0.00 O ATOM 557 CB VAL A 35 -7.248 5.031 4.003 1.00 0.00 C ATOM 558 CG1 VAL A 35 -7.253 3.691 3.224 1.00 0.00 C ATOM 559 CG2 VAL A 35 -6.978 4.804 5.508 1.00 0.00 C ATOM 0 H VAL A 35 -6.966 7.554 4.673 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.245 5.577 3.336 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.243 5.465 3.902 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.974 3.010 3.676 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.530 3.875 2.186 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.259 3.245 3.261 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.701 4.091 5.904 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.970 4.411 5.642 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.072 5.750 6.041 1.00 0.00 H new ATOM 569 N GLU A 36 -6.065 5.934 0.946 1.00 0.00 N ATOM 570 CA GLU A 36 -6.515 6.091 -0.446 1.00 0.00 C ATOM 571 C GLU A 36 -6.306 4.771 -1.187 1.00 0.00 C ATOM 572 O GLU A 36 -5.261 4.135 -1.040 1.00 0.00 O ATOM 573 CB GLU A 36 -5.751 7.232 -1.169 1.00 0.00 C ATOM 574 CG GLU A 36 -6.161 7.472 -2.642 1.00 0.00 C ATOM 575 CD GLU A 36 -7.635 7.896 -2.808 1.00 0.00 C ATOM 576 OE1 GLU A 36 -8.519 7.020 -2.914 1.00 0.00 O ATOM 577 OE2 GLU A 36 -7.916 9.108 -2.833 1.00 0.00 O ATOM 0 H GLU A 36 -5.218 5.373 1.040 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.572 6.357 -0.441 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -5.901 8.157 -0.612 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -4.684 7.010 -1.137 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.519 8.243 -3.069 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -5.987 6.560 -3.213 1.00 0.00 H new ATOM 584 N ILE A 37 -7.305 4.383 -1.994 1.00 0.00 N ATOM 585 CA ILE A 37 -7.248 3.159 -2.797 1.00 0.00 C ATOM 586 C ILE A 37 -6.405 3.422 -4.065 1.00 0.00 C ATOM 587 O ILE A 37 -6.643 4.397 -4.788 1.00 0.00 O ATOM 588 CB ILE A 37 -8.680 2.639 -3.187 1.00 0.00 C ATOM 589 CG1 ILE A 37 -9.590 2.541 -1.915 1.00 0.00 C ATOM 590 CG2 ILE A 37 -8.583 1.262 -3.903 1.00 0.00 C ATOM 591 CD1 ILE A 37 -11.011 2.081 -2.177 1.00 0.00 C ATOM 0 H ILE A 37 -8.171 4.909 -2.106 1.00 0.00 H new ATOM 0 HA ILE A 37 -6.781 2.379 -2.196 1.00 0.00 H new ATOM 0 HB ILE A 37 -9.132 3.351 -3.878 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -9.126 1.854 -1.207 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -9.623 3.519 -1.435 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -9.583 0.917 -4.166 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -7.985 1.364 -4.808 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -8.113 0.538 -3.237 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -11.561 2.045 -1.237 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -11.500 2.779 -2.857 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -10.995 1.088 -2.626 1.00 0.00 H new ATOM 603 N ALA A 38 -5.431 2.540 -4.323 1.00 0.00 N ATOM 604 CA ALA A 38 -4.422 2.719 -5.375 1.00 0.00 C ATOM 605 C ALA A 38 -4.306 1.464 -6.257 1.00 0.00 C ATOM 606 O ALA A 38 -4.836 0.399 -5.918 1.00 0.00 O ATOM 607 CB ALA A 38 -3.076 3.046 -4.725 1.00 0.00 C ATOM 0 H ALA A 38 -5.320 1.671 -3.800 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.727 3.542 -6.021 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -2.321 3.180 -5.500 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.166 3.963 -4.143 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -2.781 2.228 -4.069 1.00 0.00 H new ATOM 613 N GLU A 39 -3.603 1.632 -7.388 1.00 0.00 N ATOM 614 CA GLU A 39 -3.355 0.570 -8.382 1.00 0.00 C ATOM 615 C GLU A 39 -1.908 0.045 -8.280 1.00 0.00 C ATOM 616 O GLU A 39 -0.968 0.805 -8.520 1.00 0.00 O ATOM 617 CB GLU A 39 -3.633 1.144 -9.801 1.00 0.00 C ATOM 618 CG GLU A 39 -5.123 1.187 -10.193 1.00 0.00 C ATOM 619 CD GLU A 39 -5.737 -0.217 -10.357 1.00 0.00 C ATOM 620 OE1 GLU A 39 -5.087 -1.082 -10.952 1.00 0.00 O ATOM 621 OE2 GLU A 39 -6.871 -0.460 -9.925 1.00 0.00 O ATOM 0 H GLU A 39 -3.182 2.525 -7.644 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.020 -0.272 -8.188 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.227 2.154 -9.857 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.095 0.543 -10.534 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -5.679 1.735 -9.432 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.233 1.738 -11.127 1.00 0.00 H new ATOM 628 N ILE A 40 -1.737 -1.266 -7.973 1.00 0.00 N ATOM 629 CA ILE A 40 -0.401 -1.870 -7.756 1.00 0.00 C ATOM 630 C ILE A 40 0.291 -2.156 -9.108 1.00 0.00 C ATOM 631 O ILE A 40 -0.132 -3.037 -9.864 1.00 0.00 O ATOM 632 CB ILE A 40 -0.504 -3.200 -6.914 1.00 0.00 C ATOM 633 CG1 ILE A 40 -1.111 -2.921 -5.504 1.00 0.00 C ATOM 634 CG2 ILE A 40 0.867 -3.916 -6.801 1.00 0.00 C ATOM 635 CD1 ILE A 40 -1.280 -4.142 -4.607 1.00 0.00 C ATOM 0 H ILE A 40 -2.510 -1.924 -7.871 1.00 0.00 H new ATOM 0 HA ILE A 40 0.198 -1.154 -7.193 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.177 -3.873 -7.446 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.475 -2.200 -4.990 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.085 -2.450 -5.634 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.754 -4.827 -6.214 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.229 -4.169 -7.798 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.583 -3.256 -6.312 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.709 -3.836 -3.653 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.944 -4.859 -5.090 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.308 -4.605 -4.436 1.00 0.00 H new ATOM 647 N ARG A 41 1.363 -1.393 -9.376 1.00 0.00 N ATOM 648 CA ARG A 41 2.188 -1.516 -10.589 1.00 0.00 C ATOM 649 C ARG A 41 3.240 -2.641 -10.451 1.00 0.00 C ATOM 650 O ARG A 41 3.277 -3.572 -11.264 1.00 0.00 O ATOM 651 CB ARG A 41 2.881 -0.156 -10.888 1.00 0.00 C ATOM 652 CG ARG A 41 1.932 1.065 -10.892 1.00 0.00 C ATOM 653 CD ARG A 41 0.708 0.871 -11.800 1.00 0.00 C ATOM 654 NE ARG A 41 1.096 0.548 -13.188 1.00 0.00 N ATOM 655 CZ ARG A 41 0.462 -0.312 -14.006 1.00 0.00 C ATOM 656 NH1 ARG A 41 -0.647 -0.935 -13.620 1.00 0.00 N ATOM 657 NH2 ARG A 41 0.953 -0.541 -15.215 1.00 0.00 N ATOM 0 H ARG A 41 1.686 -0.660 -8.744 1.00 0.00 H new ATOM 0 HA ARG A 41 1.536 -1.782 -11.421 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.661 0.010 -10.145 1.00 0.00 H new ATOM 0 HB3 ARG A 41 3.373 -0.220 -11.859 1.00 0.00 H new ATOM 0 HG2 ARG A 41 1.595 1.260 -9.874 1.00 0.00 H new ATOM 0 HG3 ARG A 41 2.484 1.946 -11.219 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.084 0.071 -11.402 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.104 1.779 -11.794 1.00 0.00 H new ATOM 0 HE ARG A 41 1.920 1.020 -13.561 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.031 -0.764 -12.690 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -1.114 -1.584 -14.253 1.00 0.00 H new ATOM 0 HH21 ARG A 41 1.804 -0.067 -15.518 1.00 0.00 H new ATOM 0 HH22 ARG A 41 0.480 -1.191 -15.843 1.00 0.00 H new ATOM 671 N ASN A 42 4.086 -2.552 -9.403 1.00 0.00 N ATOM 672 CA ASN A 42 5.094 -3.590 -9.068 1.00 0.00 C ATOM 673 C ASN A 42 4.599 -4.345 -7.831 1.00 0.00 C ATOM 674 O ASN A 42 4.123 -3.733 -6.889 1.00 0.00 O ATOM 675 CB ASN A 42 6.490 -2.951 -8.804 1.00 0.00 C ATOM 676 CG ASN A 42 7.583 -3.947 -8.376 1.00 0.00 C ATOM 677 OD1 ASN A 42 7.550 -5.125 -8.727 1.00 0.00 O ATOM 678 ND2 ASN A 42 8.564 -3.478 -7.626 1.00 0.00 N ATOM 0 H ASN A 42 4.092 -1.759 -8.762 1.00 0.00 H new ATOM 0 HA ASN A 42 5.212 -4.277 -9.906 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.818 -2.440 -9.709 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.386 -2.191 -8.029 1.00 0.00 H new ATOM 0 HD21 ASN A 42 9.317 -4.097 -7.325 1.00 0.00 H new ATOM 0 HD22 ASN A 42 8.569 -2.497 -7.348 1.00 0.00 H new ATOM 685 N VAL A 43 4.668 -5.674 -7.861 1.00 0.00 N ATOM 686 CA VAL A 43 4.139 -6.531 -6.780 1.00 0.00 C ATOM 687 C VAL A 43 5.248 -7.087 -5.865 1.00 0.00 C ATOM 688 O VAL A 43 4.949 -7.738 -4.854 1.00 0.00 O ATOM 689 CB VAL A 43 3.322 -7.709 -7.411 1.00 0.00 C ATOM 690 CG1 VAL A 43 2.127 -7.171 -8.245 1.00 0.00 C ATOM 691 CG2 VAL A 43 4.236 -8.615 -8.269 1.00 0.00 C ATOM 0 H VAL A 43 5.090 -6.195 -8.630 1.00 0.00 H new ATOM 0 HA VAL A 43 3.495 -5.914 -6.153 1.00 0.00 H new ATOM 0 HB VAL A 43 2.917 -8.313 -6.599 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.576 -8.008 -8.673 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.465 -6.592 -7.601 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.500 -6.535 -9.047 1.00 0.00 H new ATOM 0 HG21 VAL A 43 3.646 -9.426 -8.697 1.00 0.00 H new ATOM 0 HG22 VAL A 43 4.681 -8.027 -9.072 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.026 -9.031 -7.644 1.00 0.00 H new ATOM 914 N ILE A 57 3.736 -12.833 -7.179 1.00 0.00 N ATOM 915 CA ILE A 57 2.705 -13.068 -6.174 1.00 0.00 C ATOM 916 C ILE A 57 2.849 -11.979 -5.108 1.00 0.00 C ATOM 917 O ILE A 57 3.920 -11.860 -4.490 1.00 0.00 O ATOM 918 CB ILE A 57 2.863 -14.496 -5.513 1.00 0.00 C ATOM 919 CG1 ILE A 57 2.861 -15.612 -6.614 1.00 0.00 C ATOM 920 CG2 ILE A 57 1.760 -14.755 -4.446 1.00 0.00 C ATOM 921 CD1 ILE A 57 3.130 -17.019 -6.110 1.00 0.00 C ATOM 0 HA ILE A 57 1.720 -13.035 -6.639 1.00 0.00 H new ATOM 0 HB ILE A 57 3.823 -14.525 -4.998 1.00 0.00 H new ATOM 0 HG12 ILE A 57 1.894 -15.602 -7.117 1.00 0.00 H new ATOM 0 HG13 ILE A 57 3.612 -15.362 -7.363 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.899 -15.745 -4.012 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.829 -14.002 -3.661 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.778 -14.699 -4.917 1.00 0.00 H new ATOM 0 HD11 ILE A 57 3.107 -17.716 -6.948 1.00 0.00 H new ATOM 0 HD12 ILE A 57 4.111 -17.054 -5.635 1.00 0.00 H new ATOM 0 HD13 ILE A 57 2.366 -17.298 -5.385 1.00 0.00 H new ATOM 933 N ILE A 58 1.789 -11.168 -4.920 1.00 0.00 N ATOM 934 CA ILE A 58 1.745 -10.170 -3.846 1.00 0.00 C ATOM 935 C ILE A 58 1.731 -10.914 -2.508 1.00 0.00 C ATOM 936 O ILE A 58 0.839 -11.730 -2.257 1.00 0.00 O ATOM 937 CB ILE A 58 0.482 -9.233 -3.942 1.00 0.00 C ATOM 938 CG1 ILE A 58 0.405 -8.588 -5.361 1.00 0.00 C ATOM 939 CG2 ILE A 58 0.508 -8.143 -2.832 1.00 0.00 C ATOM 940 CD1 ILE A 58 -0.834 -7.765 -5.626 1.00 0.00 C ATOM 0 H ILE A 58 0.952 -11.189 -5.503 1.00 0.00 H new ATOM 0 HA ILE A 58 2.621 -9.528 -3.937 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.412 -9.837 -3.785 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.280 -7.954 -5.503 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.462 -9.381 -6.107 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.375 -7.511 -2.922 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.513 -8.621 -1.853 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.404 -7.532 -2.943 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.793 -7.360 -6.637 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.718 -8.394 -5.523 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.887 -6.945 -4.909 1.00 0.00 H new ATOM 952 N THR A 59 2.745 -10.654 -1.691 1.00 0.00 N ATOM 953 CA THR A 59 2.926 -11.296 -0.387 1.00 0.00 C ATOM 954 C THR A 59 2.874 -10.216 0.703 1.00 0.00 C ATOM 955 O THR A 59 3.239 -9.057 0.453 1.00 0.00 O ATOM 956 CB THR A 59 4.293 -12.063 -0.354 1.00 0.00 C ATOM 957 OG1 THR A 59 4.376 -12.930 -1.499 1.00 0.00 O ATOM 958 CG2 THR A 59 4.474 -12.900 0.933 1.00 0.00 C ATOM 0 H THR A 59 3.478 -9.981 -1.916 1.00 0.00 H new ATOM 0 HA THR A 59 2.132 -12.021 -0.210 1.00 0.00 H new ATOM 0 HB THR A 59 5.087 -11.317 -0.372 1.00 0.00 H new ATOM 0 HG1 THR A 59 5.230 -13.411 -1.484 1.00 0.00 H new ATOM 0 HG21 THR A 59 5.437 -13.410 0.903 1.00 0.00 H new ATOM 0 HG22 THR A 59 4.438 -12.243 1.802 1.00 0.00 H new ATOM 0 HG23 THR A 59 3.675 -13.638 1.002 1.00 0.00 H new ATOM 966 N ARG A 60 2.367 -10.586 1.893 1.00 0.00 N ATOM 967 CA ARG A 60 2.397 -9.714 3.078 1.00 0.00 C ATOM 968 C ARG A 60 3.867 -9.389 3.441 1.00 0.00 C ATOM 969 O ARG A 60 4.721 -10.287 3.446 1.00 0.00 O ATOM 970 CB ARG A 60 1.665 -10.386 4.273 1.00 0.00 C ATOM 971 CG ARG A 60 1.747 -9.591 5.590 1.00 0.00 C ATOM 972 CD ARG A 60 1.118 -10.310 6.789 1.00 0.00 C ATOM 973 NE ARG A 60 1.529 -9.667 8.050 1.00 0.00 N ATOM 974 CZ ARG A 60 2.236 -10.265 9.028 1.00 0.00 C ATOM 975 NH1 ARG A 60 2.457 -11.570 9.016 1.00 0.00 N ATOM 976 NH2 ARG A 60 2.702 -9.546 10.034 1.00 0.00 N ATOM 0 H ARG A 60 1.928 -11.492 2.058 1.00 0.00 H new ATOM 0 HA ARG A 60 1.875 -8.784 2.852 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.616 -10.526 4.010 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.088 -11.378 4.433 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.793 -9.382 5.812 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.251 -8.630 5.454 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.032 -10.292 6.702 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.421 -11.357 6.792 1.00 0.00 H new ATOM 0 HE ARG A 60 1.257 -8.694 8.193 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.089 -12.143 8.256 1.00 0.00 H new ATOM 0 HH12 ARG A 60 2.995 -12.003 9.767 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.526 -8.542 10.068 1.00 0.00 H new ATOM 0 HH22 ARG A 60 3.238 -9.995 10.777 1.00 0.00 H new ATOM 990 N GLY A 61 4.153 -8.103 3.717 1.00 0.00 N ATOM 991 CA GLY A 61 5.517 -7.634 3.974 1.00 0.00 C ATOM 992 C GLY A 61 6.206 -7.133 2.713 1.00 0.00 C ATOM 993 O GLY A 61 6.896 -6.111 2.754 1.00 0.00 O ATOM 0 H GLY A 61 3.447 -7.369 3.767 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.490 -6.833 4.712 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.102 -8.446 4.406 1.00 0.00 H new ATOM 997 N ALA A 62 6.018 -7.869 1.589 1.00 0.00 N ATOM 998 CA ALA A 62 6.618 -7.531 0.283 1.00 0.00 C ATOM 999 C ALA A 62 6.142 -6.153 -0.192 1.00 0.00 C ATOM 1000 O ALA A 62 4.948 -5.830 -0.089 1.00 0.00 O ATOM 1001 CB ALA A 62 6.286 -8.611 -0.759 1.00 0.00 C ATOM 0 H ALA A 62 5.445 -8.713 1.567 1.00 0.00 H new ATOM 0 HA ALA A 62 7.701 -7.493 0.403 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.737 -8.345 -1.715 1.00 0.00 H new ATOM 0 HB2 ALA A 62 6.681 -9.571 -0.427 1.00 0.00 H new ATOM 0 HB3 ALA A 62 5.205 -8.684 -0.875 1.00 0.00 H new ATOM 1007 N VAL A 63 7.093 -5.343 -0.680 1.00 0.00 N ATOM 1008 CA VAL A 63 6.810 -3.984 -1.147 1.00 0.00 C ATOM 1009 C VAL A 63 6.076 -4.017 -2.493 1.00 0.00 C ATOM 1010 O VAL A 63 6.580 -4.558 -3.484 1.00 0.00 O ATOM 1011 CB VAL A 63 8.110 -3.110 -1.272 1.00 0.00 C ATOM 1012 CG1 VAL A 63 7.808 -1.707 -1.853 1.00 0.00 C ATOM 1013 CG2 VAL A 63 8.838 -3.010 0.077 1.00 0.00 C ATOM 0 H VAL A 63 8.073 -5.612 -0.761 1.00 0.00 H new ATOM 0 HA VAL A 63 6.172 -3.521 -0.395 1.00 0.00 H new ATOM 0 HB VAL A 63 8.773 -3.612 -1.976 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.733 -1.135 -1.923 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.370 -1.811 -2.846 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.108 -1.186 -1.200 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.734 -2.400 -0.037 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.178 -2.551 0.813 1.00 0.00 H new ATOM 0 HG23 VAL A 63 9.119 -4.008 0.414 1.00 0.00 H new ATOM 1023 N VAL A 64 4.880 -3.440 -2.505 1.00 0.00 N ATOM 1024 CA VAL A 64 4.124 -3.211 -3.726 1.00 0.00 C ATOM 1025 C VAL A 64 4.182 -1.717 -4.087 1.00 0.00 C ATOM 1026 O VAL A 64 3.860 -0.859 -3.274 1.00 0.00 O ATOM 1027 CB VAL A 64 2.637 -3.717 -3.598 1.00 0.00 C ATOM 1028 CG1 VAL A 64 2.596 -5.258 -3.458 1.00 0.00 C ATOM 1029 CG2 VAL A 64 1.876 -3.038 -2.434 1.00 0.00 C ATOM 0 H VAL A 64 4.406 -3.117 -1.661 1.00 0.00 H new ATOM 0 HA VAL A 64 4.577 -3.789 -4.531 1.00 0.00 H new ATOM 0 HB VAL A 64 2.124 -3.433 -4.517 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.561 -5.588 -3.371 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.050 -5.715 -4.337 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.148 -5.557 -2.567 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.857 -3.423 -2.392 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.384 -3.251 -1.494 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.850 -1.960 -2.596 1.00 0.00 H new ATOM 1039 N GLU A 65 4.587 -1.422 -5.319 1.00 0.00 N ATOM 1040 CA GLU A 65 4.644 -0.051 -5.822 1.00 0.00 C ATOM 1041 C GLU A 65 3.312 0.202 -6.506 1.00 0.00 C ATOM 1042 O GLU A 65 2.831 -0.657 -7.245 1.00 0.00 O ATOM 1043 CB GLU A 65 5.811 0.138 -6.812 1.00 0.00 C ATOM 1044 CG GLU A 65 5.840 1.522 -7.488 1.00 0.00 C ATOM 1045 CD GLU A 65 6.981 1.665 -8.496 1.00 0.00 C ATOM 1046 OE1 GLU A 65 8.097 2.035 -8.087 1.00 0.00 O ATOM 1047 OE2 GLU A 65 6.760 1.401 -9.696 1.00 0.00 O ATOM 0 H GLU A 65 4.885 -2.124 -5.996 1.00 0.00 H new ATOM 0 HA GLU A 65 4.817 0.654 -5.009 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.751 -0.017 -6.283 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.749 -0.630 -7.583 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.890 1.694 -7.994 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.938 2.293 -6.724 1.00 0.00 H new ATOM 1054 N THR A 66 2.712 1.357 -6.241 1.00 0.00 N ATOM 1055 CA THR A 66 1.408 1.722 -6.783 1.00 0.00 C ATOM 1056 C THR A 66 1.557 2.960 -7.674 1.00 0.00 C ATOM 1057 O THR A 66 2.676 3.455 -7.881 1.00 0.00 O ATOM 1058 CB THR A 66 0.369 1.986 -5.632 1.00 0.00 C ATOM 1059 OG1 THR A 66 0.776 3.107 -4.833 1.00 0.00 O ATOM 1060 CG2 THR A 66 0.200 0.758 -4.720 1.00 0.00 C ATOM 0 H THR A 66 3.120 2.072 -5.639 1.00 0.00 H new ATOM 0 HA THR A 66 1.030 0.892 -7.380 1.00 0.00 H new ATOM 0 HB THR A 66 -0.587 2.198 -6.110 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.626 2.902 -4.391 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.526 0.982 -3.938 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.152 -0.088 -5.310 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.158 0.509 -4.264 1.00 0.00 H new ATOM 1068 N ASN A 67 0.423 3.435 -8.225 1.00 0.00 N ATOM 1069 CA ASN A 67 0.357 4.717 -8.951 1.00 0.00 C ATOM 1070 C ASN A 67 0.779 5.892 -8.036 1.00 0.00 C ATOM 1071 O ASN A 67 1.238 6.928 -8.527 1.00 0.00 O ATOM 1072 CB ASN A 67 -1.071 4.959 -9.535 1.00 0.00 C ATOM 1073 CG ASN A 67 -2.195 5.012 -8.482 1.00 0.00 C ATOM 1074 OD1 ASN A 67 -2.128 4.354 -7.450 1.00 0.00 O ATOM 1075 ND2 ASN A 67 -3.234 5.788 -8.741 1.00 0.00 N ATOM 0 H ASN A 67 -0.469 2.943 -8.179 1.00 0.00 H new ATOM 0 HA ASN A 67 1.058 4.664 -9.784 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -1.068 5.897 -10.091 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -1.297 4.166 -10.248 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -4.004 5.849 -8.075 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -3.266 6.326 -9.607 1.00 0.00 H new ATOM 1082 N LEU A 68 0.659 5.688 -6.704 1.00 0.00 N ATOM 1083 CA LEU A 68 1.030 6.674 -5.679 1.00 0.00 C ATOM 1084 C LEU A 68 2.511 6.504 -5.296 1.00 0.00 C ATOM 1085 O LEU A 68 3.294 7.458 -5.320 1.00 0.00 O ATOM 1086 CB LEU A 68 0.114 6.470 -4.436 1.00 0.00 C ATOM 1087 CG LEU A 68 -1.415 6.636 -4.706 1.00 0.00 C ATOM 1088 CD1 LEU A 68 -2.254 6.387 -3.431 1.00 0.00 C ATOM 1089 CD2 LEU A 68 -1.726 8.021 -5.321 1.00 0.00 C ATOM 0 H LEU A 68 0.296 4.819 -6.312 1.00 0.00 H new ATOM 0 HA LEU A 68 0.895 7.684 -6.066 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.290 5.472 -4.034 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.410 7.181 -3.665 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.700 5.875 -5.433 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.312 6.512 -3.661 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.078 5.373 -3.072 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.964 7.100 -2.659 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.798 8.108 -5.498 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.407 8.804 -4.633 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.192 8.128 -6.265 1.00 0.00 H new ATOM 1101 N GLY A 69 2.881 5.264 -4.960 1.00 0.00 N ATOM 1102 CA GLY A 69 4.234 4.940 -4.518 1.00 0.00 C ATOM 1103 C GLY A 69 4.307 3.579 -3.847 1.00 0.00 C ATOM 1104 O GLY A 69 3.338 2.816 -3.858 1.00 0.00 O ATOM 0 H GLY A 69 2.251 4.462 -4.988 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.908 4.958 -5.374 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.581 5.705 -3.823 1.00 0.00 H new ATOM 1108 N ASN A 70 5.455 3.286 -3.237 1.00 0.00 N ATOM 1109 CA ASN A 70 5.746 1.967 -2.645 1.00 0.00 C ATOM 1110 C ASN A 70 4.998 1.790 -1.313 1.00 0.00 C ATOM 1111 O ASN A 70 4.798 2.753 -0.583 1.00 0.00 O ATOM 1112 CB ASN A 70 7.270 1.836 -2.456 1.00 0.00 C ATOM 1113 CG ASN A 70 8.021 1.995 -3.778 1.00 0.00 C ATOM 1114 OD1 ASN A 70 8.347 3.110 -4.176 1.00 0.00 O ATOM 1115 ND2 ASN A 70 8.292 0.891 -4.467 1.00 0.00 N ATOM 0 H ASN A 70 6.218 3.956 -3.136 1.00 0.00 H new ATOM 0 HA ASN A 70 5.399 1.178 -3.312 1.00 0.00 H new ATOM 0 HB2 ASN A 70 7.615 2.590 -1.749 1.00 0.00 H new ATOM 0 HB3 ASN A 70 7.500 0.863 -2.022 1.00 0.00 H new ATOM 0 HD21 ASN A 70 8.786 0.954 -5.357 1.00 0.00 H new ATOM 0 HD22 ASN A 70 8.006 -0.019 -4.106 1.00 0.00 H new ATOM 1122 N VAL A 71 4.528 0.557 -1.041 1.00 0.00 N ATOM 1123 CA VAL A 71 3.681 0.238 0.127 1.00 0.00 C ATOM 1124 C VAL A 71 4.150 -1.087 0.778 1.00 0.00 C ATOM 1125 O VAL A 71 4.629 -1.983 0.083 1.00 0.00 O ATOM 1126 CB VAL A 71 2.164 0.092 -0.325 1.00 0.00 C ATOM 1127 CG1 VAL A 71 1.212 -0.136 0.865 1.00 0.00 C ATOM 1128 CG2 VAL A 71 1.684 1.298 -1.176 1.00 0.00 C ATOM 0 H VAL A 71 4.726 -0.252 -1.629 1.00 0.00 H new ATOM 0 HA VAL A 71 3.768 1.048 0.852 1.00 0.00 H new ATOM 0 HB VAL A 71 2.130 -0.798 -0.953 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.189 -0.229 0.500 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.495 -1.050 1.388 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.277 0.709 1.550 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.642 1.151 -1.460 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.775 2.214 -0.593 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.297 1.377 -2.074 1.00 0.00 H new ATOM 1138 N ARG A 72 4.006 -1.192 2.112 1.00 0.00 N ATOM 1139 CA ARG A 72 4.168 -2.461 2.856 1.00 0.00 C ATOM 1140 C ARG A 72 2.795 -3.099 2.977 1.00 0.00 C ATOM 1141 O ARG A 72 1.903 -2.484 3.562 1.00 0.00 O ATOM 1142 CB ARG A 72 4.732 -2.232 4.290 1.00 0.00 C ATOM 1143 CG ARG A 72 6.219 -1.883 4.351 1.00 0.00 C ATOM 1144 CD ARG A 72 7.124 -3.026 3.860 1.00 0.00 C ATOM 1145 NE ARG A 72 8.544 -2.633 3.845 1.00 0.00 N ATOM 1146 CZ ARG A 72 9.558 -3.400 3.411 1.00 0.00 C ATOM 1147 NH1 ARG A 72 9.349 -4.643 2.996 1.00 0.00 N ATOM 1148 NH2 ARG A 72 10.788 -2.910 3.383 1.00 0.00 N ATOM 0 H ARG A 72 3.773 -0.398 2.709 1.00 0.00 H new ATOM 0 HA ARG A 72 4.873 -3.094 2.317 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.166 -1.429 4.763 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.561 -3.133 4.880 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.404 -0.995 3.746 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.486 -1.631 5.377 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.994 -3.895 4.505 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.819 -3.325 2.857 1.00 0.00 H new ATOM 0 HE ARG A 72 8.776 -1.703 4.193 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.406 -5.031 3.003 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.132 -5.210 2.670 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.963 -1.953 3.690 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.560 -3.489 3.054 1.00 0.00 H new ATOM 1162 N VAL A 73 2.620 -4.320 2.456 1.00 0.00 N ATOM 1163 CA VAL A 73 1.327 -5.015 2.545 1.00 0.00 C ATOM 1164 C VAL A 73 1.153 -5.550 3.980 1.00 0.00 C ATOM 1165 O VAL A 73 1.736 -6.570 4.348 1.00 0.00 O ATOM 1166 CB VAL A 73 1.188 -6.186 1.503 1.00 0.00 C ATOM 1167 CG1 VAL A 73 -0.223 -6.820 1.569 1.00 0.00 C ATOM 1168 CG2 VAL A 73 1.508 -5.701 0.077 1.00 0.00 C ATOM 0 H VAL A 73 3.349 -4.844 1.972 1.00 0.00 H new ATOM 0 HA VAL A 73 0.542 -4.299 2.304 1.00 0.00 H new ATOM 0 HB VAL A 73 1.916 -6.954 1.765 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.294 -7.627 0.839 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.396 -7.219 2.569 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.973 -6.062 1.346 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.404 -6.531 -0.622 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.817 -4.905 -0.200 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.530 -5.323 0.042 1.00 0.00 H new ATOM 1178 N THR A 74 0.401 -4.804 4.794 1.00 0.00 N ATOM 1179 CA THR A 74 0.101 -5.165 6.185 1.00 0.00 C ATOM 1180 C THR A 74 -0.933 -6.306 6.260 1.00 0.00 C ATOM 1181 O THR A 74 -0.863 -7.167 7.144 1.00 0.00 O ATOM 1182 CB THR A 74 -0.419 -3.910 6.955 1.00 0.00 C ATOM 1183 OG1 THR A 74 -1.583 -3.388 6.292 1.00 0.00 O ATOM 1184 CG2 THR A 74 0.656 -2.808 7.040 1.00 0.00 C ATOM 0 H THR A 74 -0.022 -3.922 4.504 1.00 0.00 H new ATOM 0 HA THR A 74 1.020 -5.521 6.651 1.00 0.00 H new ATOM 0 HB THR A 74 -0.668 -4.219 7.970 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.910 -2.601 6.776 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.257 -1.951 7.583 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.531 -3.193 7.563 1.00 0.00 H new ATOM 0 HG23 THR A 74 0.941 -2.499 6.034 1.00 0.00 H new ATOM 1192 N SER A 75 -1.874 -6.302 5.303 1.00 0.00 N ATOM 1193 CA SER A 75 -2.948 -7.306 5.206 1.00 0.00 C ATOM 1194 C SER A 75 -2.447 -8.610 4.562 1.00 0.00 C ATOM 1195 O SER A 75 -1.320 -8.681 4.057 1.00 0.00 O ATOM 1196 CB SER A 75 -4.124 -6.722 4.381 1.00 0.00 C ATOM 1197 OG SER A 75 -5.220 -7.620 4.273 1.00 0.00 O ATOM 0 H SER A 75 -1.912 -5.596 4.568 1.00 0.00 H new ATOM 0 HA SER A 75 -3.286 -7.546 6.214 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.463 -5.796 4.845 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.770 -6.466 3.382 1.00 0.00 H new ATOM 0 HG SER A 75 -5.934 -7.203 3.746 1.00 0.00 H new ATOM 1203 N ARG A 76 -3.297 -9.647 4.622 1.00 0.00 N ATOM 1204 CA ARG A 76 -3.129 -10.872 3.832 1.00 0.00 C ATOM 1205 C ARG A 76 -3.715 -10.596 2.428 1.00 0.00 C ATOM 1206 O ARG A 76 -4.944 -10.497 2.288 1.00 0.00 O ATOM 1207 CB ARG A 76 -3.849 -12.059 4.518 1.00 0.00 C ATOM 1208 CG ARG A 76 -3.350 -12.349 5.950 1.00 0.00 C ATOM 1209 CD ARG A 76 -4.089 -13.525 6.600 1.00 0.00 C ATOM 1210 NE ARG A 76 -3.616 -13.784 7.967 1.00 0.00 N ATOM 1211 CZ ARG A 76 -4.196 -14.620 8.840 1.00 0.00 C ATOM 1212 NH1 ARG A 76 -5.258 -15.331 8.498 1.00 0.00 N ATOM 1213 NH2 ARG A 76 -3.689 -14.749 10.053 1.00 0.00 N ATOM 0 H ARG A 76 -4.122 -9.657 5.222 1.00 0.00 H new ATOM 0 HA ARG A 76 -2.076 -11.143 3.751 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.919 -11.852 4.551 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -3.716 -12.953 3.909 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.282 -12.565 5.923 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -3.479 -11.458 6.564 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -5.158 -13.315 6.620 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.951 -14.420 5.993 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.780 -13.288 8.276 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -5.647 -15.247 7.559 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.688 -15.963 9.174 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -2.862 -14.215 10.320 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -4.124 -15.383 10.723 1.00 0.00 H new ATOM 1227 N PRO A 77 -2.849 -10.423 1.378 1.00 0.00 N ATOM 1228 CA PRO A 77 -3.279 -9.986 0.027 1.00 0.00 C ATOM 1229 C PRO A 77 -3.821 -11.152 -0.824 1.00 0.00 C ATOM 1230 O PRO A 77 -3.208 -11.587 -1.814 1.00 0.00 O ATOM 1231 CB PRO A 77 -1.978 -9.386 -0.539 1.00 0.00 C ATOM 1232 CG PRO A 77 -0.887 -10.226 0.050 1.00 0.00 C ATOM 1233 CD PRO A 77 -1.380 -10.667 1.415 1.00 0.00 C ATOM 0 HA PRO A 77 -4.112 -9.283 0.036 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -1.964 -9.425 -1.628 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -1.869 -8.339 -0.256 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -0.674 -11.087 -0.583 1.00 0.00 H new ATOM 0 HG3 PRO A 77 0.039 -9.657 0.136 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -1.157 -11.718 1.597 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -0.903 -10.097 2.212 1.00 0.00 H new ATOM 1241 N GLY A 78 -4.991 -11.640 -0.413 1.00 0.00 N ATOM 1242 CA GLY A 78 -5.651 -12.765 -1.055 1.00 0.00 C ATOM 1243 C GLY A 78 -6.885 -13.179 -0.280 1.00 0.00 C ATOM 1244 O GLY A 78 -7.864 -13.650 -0.870 1.00 0.00 O ATOM 0 H GLY A 78 -5.507 -11.260 0.381 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -5.929 -12.496 -2.074 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -4.961 -13.606 -1.125 1.00 0.00 H new ATOM 1248 N GLN A 79 -6.827 -13.004 1.066 1.00 0.00 N ATOM 1249 CA GLN A 79 -7.971 -13.245 1.956 1.00 0.00 C ATOM 1250 C GLN A 79 -9.081 -12.240 1.618 1.00 0.00 C ATOM 1251 O GLN A 79 -8.879 -11.026 1.785 1.00 0.00 O ATOM 1252 CB GLN A 79 -7.553 -13.125 3.447 1.00 0.00 C ATOM 1253 CG GLN A 79 -8.680 -13.462 4.454 1.00 0.00 C ATOM 1254 CD GLN A 79 -8.247 -13.397 5.922 1.00 0.00 C ATOM 1255 OE1 GLN A 79 -7.378 -12.611 6.298 1.00 0.00 O ATOM 1256 NE2 GLN A 79 -8.844 -14.233 6.756 1.00 0.00 N ATOM 0 H GLN A 79 -5.986 -12.693 1.553 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.339 -14.260 1.804 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.708 -13.789 3.630 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -7.206 -12.109 3.634 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -9.509 -12.771 4.300 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -9.056 -14.463 4.241 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.561 -14.872 6.412 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -8.588 -14.238 7.743 1.00 0.00 H new ATOM 1265 N ASP A 80 -10.194 -12.766 1.052 1.00 0.00 N ATOM 1266 CA ASP A 80 -11.376 -11.987 0.591 1.00 0.00 C ATOM 1267 C ASP A 80 -11.118 -11.264 -0.763 1.00 0.00 C ATOM 1268 O ASP A 80 -12.061 -10.979 -1.509 1.00 0.00 O ATOM 1269 CB ASP A 80 -11.895 -11.011 1.701 1.00 0.00 C ATOM 1270 CG ASP A 80 -13.048 -10.098 1.253 1.00 0.00 C ATOM 1271 OD1 ASP A 80 -14.139 -10.605 0.927 1.00 0.00 O ATOM 1272 OD2 ASP A 80 -12.872 -8.863 1.203 1.00 0.00 O ATOM 0 H ASP A 80 -10.300 -13.769 0.898 1.00 0.00 H new ATOM 0 HA ASP A 80 -12.175 -12.704 0.402 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -12.224 -11.597 2.559 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -11.066 -10.390 2.039 1.00 0.00 H new ATOM 1277 N GLY A 81 -9.838 -11.016 -1.095 1.00 0.00 N ATOM 1278 CA GLY A 81 -9.456 -10.269 -2.295 1.00 0.00 C ATOM 1279 C GLY A 81 -9.052 -8.841 -1.985 1.00 0.00 C ATOM 1280 O GLY A 81 -8.543 -8.138 -2.867 1.00 0.00 O ATOM 0 H GLY A 81 -9.044 -11.330 -0.536 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -8.628 -10.779 -2.788 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -10.290 -10.263 -2.997 1.00 0.00 H new ATOM 1284 N VAL A 82 -9.264 -8.405 -0.725 1.00 0.00 N ATOM 1285 CA VAL A 82 -8.934 -7.037 -0.297 1.00 0.00 C ATOM 1286 C VAL A 82 -7.456 -6.967 0.152 1.00 0.00 C ATOM 1287 O VAL A 82 -7.025 -7.664 1.084 1.00 0.00 O ATOM 1288 CB VAL A 82 -9.913 -6.510 0.828 1.00 0.00 C ATOM 1289 CG1 VAL A 82 -9.917 -7.401 2.097 1.00 0.00 C ATOM 1290 CG2 VAL A 82 -9.624 -5.026 1.178 1.00 0.00 C ATOM 0 H VAL A 82 -9.663 -8.986 0.012 1.00 0.00 H new ATOM 0 HA VAL A 82 -9.069 -6.374 -1.151 1.00 0.00 H new ATOM 0 HB VAL A 82 -10.918 -6.571 0.411 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -10.608 -6.986 2.831 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -10.232 -8.410 1.832 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -8.914 -7.434 2.522 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -10.314 -4.694 1.954 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -8.600 -4.930 1.538 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -9.755 -4.410 0.288 1.00 0.00 H new ATOM 1300 N ILE A 83 -6.670 -6.163 -0.577 1.00 0.00 N ATOM 1301 CA ILE A 83 -5.263 -5.892 -0.255 1.00 0.00 C ATOM 1302 C ILE A 83 -5.196 -4.548 0.485 1.00 0.00 C ATOM 1303 O ILE A 83 -5.833 -3.582 0.060 1.00 0.00 O ATOM 1304 CB ILE A 83 -4.383 -5.848 -1.567 1.00 0.00 C ATOM 1305 CG1 ILE A 83 -4.653 -7.113 -2.451 1.00 0.00 C ATOM 1306 CG2 ILE A 83 -2.870 -5.723 -1.232 1.00 0.00 C ATOM 1307 CD1 ILE A 83 -3.956 -7.126 -3.799 1.00 0.00 C ATOM 0 H ILE A 83 -6.996 -5.679 -1.413 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.866 -6.689 0.374 1.00 0.00 H new ATOM 0 HB ILE A 83 -4.670 -4.961 -2.132 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.345 -7.997 -1.893 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.727 -7.198 -2.616 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -2.294 -5.695 -2.157 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.697 -4.806 -0.669 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -2.557 -6.580 -0.635 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -4.209 -8.043 -4.331 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -4.281 -6.266 -4.385 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -2.877 -7.078 -3.651 1.00 0.00 H new ATOM 1319 N ASN A 84 -4.460 -4.501 1.605 1.00 0.00 N ATOM 1320 CA ASN A 84 -4.293 -3.281 2.429 1.00 0.00 C ATOM 1321 C ASN A 84 -2.819 -3.144 2.826 1.00 0.00 C ATOM 1322 O ASN A 84 -2.096 -4.151 2.898 1.00 0.00 O ATOM 1323 CB ASN A 84 -5.173 -3.330 3.716 1.00 0.00 C ATOM 1324 CG ASN A 84 -6.674 -3.551 3.468 1.00 0.00 C ATOM 1325 OD1 ASN A 84 -7.239 -3.079 2.489 1.00 0.00 O ATOM 1326 ND2 ASN A 84 -7.328 -4.276 4.358 1.00 0.00 N ATOM 0 H ASN A 84 -3.958 -5.310 1.972 1.00 0.00 H new ATOM 0 HA ASN A 84 -4.612 -2.423 1.837 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -4.805 -4.129 4.360 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -5.044 -2.396 4.262 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -8.325 -4.453 4.238 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -6.836 -4.659 5.165 1.00 0.00 H new ATOM 1333 N GLY A 85 -2.386 -1.905 3.094 1.00 0.00 N ATOM 1334 CA GLY A 85 -1.002 -1.644 3.480 1.00 0.00 C ATOM 1335 C GLY A 85 -0.760 -0.236 3.998 1.00 0.00 C ATOM 1336 O GLY A 85 -1.704 0.527 4.186 1.00 0.00 O ATOM 0 H GLY A 85 -2.975 -1.074 3.050 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.709 -2.358 4.249 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.356 -1.820 2.620 1.00 0.00 H new ATOM 1340 N VAL A 86 0.527 0.094 4.249 1.00 0.00 N ATOM 1341 CA VAL A 86 0.965 1.432 4.707 1.00 0.00 C ATOM 1342 C VAL A 86 2.015 2.014 3.738 1.00 0.00 C ATOM 1343 O VAL A 86 2.945 1.306 3.326 1.00 0.00 O ATOM 1344 CB VAL A 86 1.519 1.419 6.187 1.00 0.00 C ATOM 1345 CG1 VAL A 86 0.389 1.127 7.199 1.00 0.00 C ATOM 1346 CG2 VAL A 86 2.691 0.417 6.356 1.00 0.00 C ATOM 0 H VAL A 86 1.297 -0.566 4.139 1.00 0.00 H new ATOM 0 HA VAL A 86 0.083 2.073 4.708 1.00 0.00 H new ATOM 0 HB VAL A 86 1.912 2.414 6.395 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.797 1.124 8.210 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.378 1.897 7.120 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.051 0.154 6.982 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.043 0.439 7.387 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.348 -0.588 6.111 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.507 0.695 5.689 1.00 0.00 H new ATOM 1356 N LEU A 87 1.853 3.303 3.364 1.00 0.00 N ATOM 1357 CA LEU A 87 2.724 3.974 2.379 1.00 0.00 C ATOM 1358 C LEU A 87 4.170 4.125 2.912 1.00 0.00 C ATOM 1359 O LEU A 87 4.387 4.634 4.016 1.00 0.00 O ATOM 1360 CB LEU A 87 2.154 5.373 2.009 1.00 0.00 C ATOM 1361 CG LEU A 87 2.946 6.173 0.919 1.00 0.00 C ATOM 1362 CD1 LEU A 87 2.851 5.494 -0.474 1.00 0.00 C ATOM 1363 CD2 LEU A 87 2.474 7.640 0.863 1.00 0.00 C ATOM 0 H LEU A 87 1.117 3.903 3.736 1.00 0.00 H new ATOM 0 HA LEU A 87 2.750 3.348 1.487 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.128 5.245 1.663 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.112 5.977 2.915 1.00 0.00 H new ATOM 0 HG LEU A 87 3.998 6.169 1.206 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.413 6.078 -1.203 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.267 4.488 -0.418 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.807 5.438 -0.781 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.038 8.175 0.099 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.412 7.672 0.618 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.637 8.112 1.832 1.00 0.00 H new ATOM 1375 N ILE A 88 5.134 3.663 2.107 1.00 0.00 N ATOM 1376 CA ILE A 88 6.590 3.825 2.337 1.00 0.00 C ATOM 1377 C ILE A 88 7.240 4.463 1.085 1.00 0.00 C ATOM 1378 O ILE A 88 6.542 4.824 0.126 1.00 0.00 O ATOM 1379 CB ILE A 88 7.282 2.444 2.657 1.00 0.00 C ATOM 1380 CG1 ILE A 88 7.025 1.431 1.496 1.00 0.00 C ATOM 1381 CG2 ILE A 88 6.800 1.879 4.020 1.00 0.00 C ATOM 1382 CD1 ILE A 88 7.688 0.085 1.645 1.00 0.00 C ATOM 0 H ILE A 88 4.925 3.150 1.250 1.00 0.00 H new ATOM 0 HA ILE A 88 6.730 4.475 3.201 1.00 0.00 H new ATOM 0 HB ILE A 88 8.357 2.605 2.737 1.00 0.00 H new ATOM 0 HG12 ILE A 88 5.950 1.278 1.403 1.00 0.00 H new ATOM 0 HG13 ILE A 88 7.364 1.882 0.563 1.00 0.00 H new ATOM 0 HG21 ILE A 88 7.294 0.927 4.214 1.00 0.00 H new ATOM 0 HG22 ILE A 88 7.047 2.584 4.814 1.00 0.00 H new ATOM 0 HG23 ILE A 88 5.721 1.729 3.990 1.00 0.00 H new ATOM 0 HD11 ILE A 88 7.443 -0.538 0.785 1.00 0.00 H new ATOM 0 HD12 ILE A 88 8.769 0.216 1.703 1.00 0.00 H new ATOM 0 HD13 ILE A 88 7.332 -0.397 2.555 1.00 0.00 H new ATOM 1394 N ARG A 89 8.580 4.615 1.106 1.00 0.00 N ATOM 1395 CA ARG A 89 9.341 5.264 0.017 1.00 0.00 C ATOM 1396 C ARG A 89 10.630 4.468 -0.270 1.00 0.00 C ATOM 1397 O ARG A 89 11.683 4.727 0.333 1.00 0.00 O ATOM 1398 CB ARG A 89 9.655 6.742 0.405 1.00 0.00 C ATOM 1399 CG ARG A 89 8.406 7.637 0.603 1.00 0.00 C ATOM 1400 CD ARG A 89 8.726 9.026 1.175 1.00 0.00 C ATOM 1401 NE ARG A 89 7.505 9.833 1.357 1.00 0.00 N ATOM 1402 CZ ARG A 89 6.697 9.786 2.434 1.00 0.00 C ATOM 1403 NH1 ARG A 89 6.985 9.018 3.487 1.00 0.00 N ATOM 1404 NH2 ARG A 89 5.601 10.528 2.460 1.00 0.00 N ATOM 0 H ARG A 89 9.165 4.292 1.877 1.00 0.00 H new ATOM 0 HA ARG A 89 8.744 5.273 -0.895 1.00 0.00 H new ATOM 0 HB2 ARG A 89 10.238 6.746 1.326 1.00 0.00 H new ATOM 0 HB3 ARG A 89 10.282 7.182 -0.371 1.00 0.00 H new ATOM 0 HG2 ARG A 89 7.900 7.756 -0.355 1.00 0.00 H new ATOM 0 HG3 ARG A 89 7.709 7.131 1.271 1.00 0.00 H new ATOM 0 HD2 ARG A 89 9.237 8.917 2.132 1.00 0.00 H new ATOM 0 HD3 ARG A 89 9.411 9.547 0.506 1.00 0.00 H new ATOM 0 HE ARG A 89 7.252 10.478 0.608 1.00 0.00 H new ATOM 0 HH11 ARG A 89 7.832 8.450 3.488 1.00 0.00 H new ATOM 0 HH12 ARG A 89 6.358 8.999 4.291 1.00 0.00 H new ATOM 0 HH21 ARG A 89 5.373 11.130 1.668 1.00 0.00 H new ATOM 0 HH22 ARG A 89 4.984 10.498 3.272 1.00 0.00 H new ATOM 1418 N GLU A 90 10.521 3.468 -1.170 1.00 0.00 N ATOM 1419 CA GLU A 90 11.665 2.618 -1.591 1.00 0.00 C ATOM 1420 C GLU A 90 12.187 3.101 -2.956 1.00 0.00 C ATOM 1421 O GLU A 90 13.391 3.286 -3.158 1.00 0.00 O ATOM 1422 CB GLU A 90 11.235 1.124 -1.699 1.00 0.00 C ATOM 1423 CG GLU A 90 10.448 0.575 -0.496 1.00 0.00 C ATOM 1424 CD GLU A 90 11.202 0.625 0.846 1.00 0.00 C ATOM 1425 OE1 GLU A 90 11.965 -0.317 1.145 1.00 0.00 O ATOM 1426 OE2 GLU A 90 11.007 1.588 1.626 1.00 0.00 O ATOM 0 H GLU A 90 9.642 3.224 -1.627 1.00 0.00 H new ATOM 0 HA GLU A 90 12.452 2.699 -0.841 1.00 0.00 H new ATOM 0 HB2 GLU A 90 10.627 1.002 -2.595 1.00 0.00 H new ATOM 0 HB3 GLU A 90 12.129 0.515 -1.835 1.00 0.00 H new ATOM 0 HG2 GLU A 90 9.521 1.140 -0.397 1.00 0.00 H new ATOM 0 HG3 GLU A 90 10.170 -0.459 -0.702 1.00 0.00 H new ATOM 1433 N LEU A 91 11.237 3.293 -3.880 1.00 0.00 N ATOM 1434 CA LEU A 91 11.486 3.713 -5.273 1.00 0.00 C ATOM 1435 C LEU A 91 10.784 5.050 -5.546 1.00 0.00 C ATOM 1436 O LEU A 91 10.195 5.662 -4.637 1.00 0.00 O ATOM 1437 CB LEU A 91 10.957 2.631 -6.259 1.00 0.00 C ATOM 1438 CG LEU A 91 11.574 1.205 -6.134 1.00 0.00 C ATOM 1439 CD1 LEU A 91 10.931 0.234 -7.152 1.00 0.00 C ATOM 1440 CD2 LEU A 91 13.113 1.245 -6.292 1.00 0.00 C ATOM 0 H LEU A 91 10.246 3.158 -3.678 1.00 0.00 H new ATOM 0 HA LEU A 91 12.559 3.833 -5.420 1.00 0.00 H new ATOM 0 HB2 LEU A 91 9.878 2.548 -6.125 1.00 0.00 H new ATOM 0 HB3 LEU A 91 11.125 2.986 -7.276 1.00 0.00 H new ATOM 0 HG LEU A 91 11.356 0.832 -5.133 1.00 0.00 H new ATOM 0 HD11 LEU A 91 11.378 -0.754 -7.045 1.00 0.00 H new ATOM 0 HD12 LEU A 91 9.859 0.169 -6.966 1.00 0.00 H new ATOM 0 HD13 LEU A 91 11.102 0.602 -8.164 1.00 0.00 H new ATOM 0 HD21 LEU A 91 13.515 0.236 -6.200 1.00 0.00 H new ATOM 0 HD22 LEU A 91 13.368 1.649 -7.272 1.00 0.00 H new ATOM 0 HD23 LEU A 91 13.542 1.878 -5.516 1.00 0.00 H new