USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 449 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 32 THR OG1 : rot -61:sc= 0.528 USER MOD Set 1.2: A 34 LYS NZ :NH3+ -123:sc= 0.577 (180deg=-0.0264) USER MOD Single : A 23 THR OG1 : rot 19:sc= 0.287 USER MOD Single : A 26 ASN : amide:sc= -1.16 X(o=-1.2,f=-0.73) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -56:sc= 1.31 USER MOD Single : A 67 ASN : amide:sc= -1.34! C(o=-1.3!,f=-5.8!) USER MOD Single : A 70 ASN : amide:sc= 0.0242 X(o=0.024,f=-0.33) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot -63:sc= 1.09 USER MOD Single : A 79 GLN : amide:sc= -0.832 K(o=-0.83,f=-1.9) USER MOD Single : A 84 ASN :FLIP amide:sc= 0 F(o=-1.7,f=0) USER MOD ----------------------------------------------------------------- ATOM 366 N THR A 23 -5.335 -4.957 -9.967 1.00 0.00 N ATOM 367 CA THR A 23 -4.934 -5.212 -8.575 1.00 0.00 C ATOM 368 C THR A 23 -4.821 -3.864 -7.860 1.00 0.00 C ATOM 369 O THR A 23 -3.981 -3.031 -8.223 1.00 0.00 O ATOM 370 CB THR A 23 -3.563 -5.969 -8.494 1.00 0.00 C ATOM 371 OG1 THR A 23 -3.538 -7.014 -9.466 1.00 0.00 O ATOM 372 CG2 THR A 23 -3.322 -6.585 -7.101 1.00 0.00 C ATOM 0 HA THR A 23 -5.683 -5.846 -8.101 1.00 0.00 H new ATOM 0 HB THR A 23 -2.776 -5.240 -8.686 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.221 -6.843 -10.148 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.361 -7.099 -7.092 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.318 -5.795 -6.350 1.00 0.00 H new ATOM 0 HG23 THR A 23 -4.116 -7.297 -6.876 1.00 0.00 H new ATOM 380 N ARG A 24 -5.690 -3.633 -6.872 1.00 0.00 N ATOM 381 CA ARG A 24 -5.685 -2.403 -6.062 1.00 0.00 C ATOM 382 C ARG A 24 -5.550 -2.732 -4.577 1.00 0.00 C ATOM 383 O ARG A 24 -5.807 -3.869 -4.142 1.00 0.00 O ATOM 384 CB ARG A 24 -6.951 -1.549 -6.352 1.00 0.00 C ATOM 385 CG ARG A 24 -6.872 -0.767 -7.680 1.00 0.00 C ATOM 386 CD ARG A 24 -8.105 0.107 -7.966 1.00 0.00 C ATOM 387 NE ARG A 24 -9.296 -0.714 -8.252 1.00 0.00 N ATOM 388 CZ ARG A 24 -10.395 -0.301 -8.894 1.00 0.00 C ATOM 389 NH1 ARG A 24 -10.507 0.949 -9.328 1.00 0.00 N ATOM 390 NH2 ARG A 24 -11.392 -1.150 -9.095 1.00 0.00 N ATOM 0 H ARG A 24 -6.421 -4.294 -6.607 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.817 -1.807 -6.343 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.823 -2.202 -6.375 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.101 -0.845 -5.533 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -5.986 -0.133 -7.664 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -6.743 -1.474 -8.499 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.303 0.750 -7.109 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -7.900 0.760 -8.814 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.281 -1.682 -7.932 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.748 1.612 -9.174 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -11.352 1.246 -9.815 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.319 -2.111 -8.761 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -12.233 -0.843 -9.584 1.00 0.00 H new ATOM 404 N ILE A 25 -5.145 -1.718 -3.807 1.00 0.00 N ATOM 405 CA ILE A 25 -4.760 -1.860 -2.404 1.00 0.00 C ATOM 406 C ILE A 25 -5.171 -0.602 -1.623 1.00 0.00 C ATOM 407 O ILE A 25 -5.071 0.520 -2.134 1.00 0.00 O ATOM 408 CB ILE A 25 -3.196 -2.109 -2.299 1.00 0.00 C ATOM 409 CG1 ILE A 25 -2.698 -2.203 -0.813 1.00 0.00 C ATOM 410 CG2 ILE A 25 -2.405 -1.030 -3.087 1.00 0.00 C ATOM 411 CD1 ILE A 25 -1.239 -2.603 -0.657 1.00 0.00 C ATOM 0 H ILE A 25 -5.075 -0.760 -4.149 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.273 -2.717 -1.969 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.001 -3.079 -2.756 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -2.849 -1.237 -0.331 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.318 -2.925 -0.281 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.336 -1.225 -2.998 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.693 -1.062 -4.138 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.629 -0.044 -2.679 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.984 -2.642 0.402 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.081 -3.584 -1.105 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.605 -1.870 -1.156 1.00 0.00 H new ATOM 423 N ASN A 26 -5.647 -0.798 -0.381 1.00 0.00 N ATOM 424 CA ASN A 26 -5.999 0.306 0.523 1.00 0.00 C ATOM 425 C ASN A 26 -4.715 0.758 1.221 1.00 0.00 C ATOM 426 O ASN A 26 -4.214 0.081 2.128 1.00 0.00 O ATOM 427 CB ASN A 26 -7.057 -0.142 1.563 1.00 0.00 C ATOM 428 CG ASN A 26 -8.373 -0.565 0.922 1.00 0.00 C ATOM 429 OD1 ASN A 26 -9.266 0.256 0.700 1.00 0.00 O ATOM 430 ND2 ASN A 26 -8.502 -1.847 0.621 1.00 0.00 N ATOM 0 H ASN A 26 -5.797 -1.723 0.021 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.437 1.129 -0.043 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.658 -0.973 2.145 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -7.244 0.675 2.260 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -9.362 -2.186 0.190 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -7.741 -2.497 0.820 1.00 0.00 H new ATOM 437 N VAL A 27 -4.172 1.876 0.752 1.00 0.00 N ATOM 438 CA VAL A 27 -2.868 2.387 1.159 1.00 0.00 C ATOM 439 C VAL A 27 -3.057 3.388 2.300 1.00 0.00 C ATOM 440 O VAL A 27 -3.683 4.428 2.107 1.00 0.00 O ATOM 441 CB VAL A 27 -2.161 3.063 -0.067 1.00 0.00 C ATOM 442 CG1 VAL A 27 -0.813 3.695 0.319 1.00 0.00 C ATOM 443 CG2 VAL A 27 -1.988 2.057 -1.217 1.00 0.00 C ATOM 0 H VAL A 27 -4.637 2.466 0.062 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.238 1.570 1.509 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.807 3.872 -0.409 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.360 4.151 -0.561 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.974 4.458 1.081 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.149 2.925 0.711 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.496 2.546 -2.057 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.380 1.218 -0.878 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.966 1.692 -1.532 1.00 0.00 H new ATOM 453 N VAL A 28 -2.531 3.035 3.475 1.00 0.00 N ATOM 454 CA VAL A 28 -2.646 3.827 4.704 1.00 0.00 C ATOM 455 C VAL A 28 -1.309 4.521 4.977 1.00 0.00 C ATOM 456 O VAL A 28 -0.332 3.864 5.334 1.00 0.00 O ATOM 457 CB VAL A 28 -3.027 2.901 5.925 1.00 0.00 C ATOM 458 CG1 VAL A 28 -3.176 3.701 7.235 1.00 0.00 C ATOM 459 CG2 VAL A 28 -4.296 2.068 5.622 1.00 0.00 C ATOM 0 H VAL A 28 -2.002 2.172 3.602 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.432 4.572 4.578 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.200 2.206 6.071 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.438 3.023 8.047 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.234 4.198 7.467 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.961 4.448 7.118 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.533 1.441 6.481 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.132 2.738 5.420 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.118 1.438 4.751 1.00 0.00 H new ATOM 469 N ASP A 29 -1.256 5.835 4.761 1.00 0.00 N ATOM 470 CA ASP A 29 -0.066 6.641 5.063 1.00 0.00 C ATOM 471 C ASP A 29 0.096 6.705 6.597 1.00 0.00 C ATOM 472 O ASP A 29 -0.728 7.325 7.268 1.00 0.00 O ATOM 473 CB ASP A 29 -0.180 8.064 4.460 1.00 0.00 C ATOM 474 CG ASP A 29 1.137 8.856 4.544 1.00 0.00 C ATOM 475 OD1 ASP A 29 1.424 9.464 5.598 1.00 0.00 O ATOM 476 OD2 ASP A 29 1.893 8.870 3.551 1.00 0.00 O ATOM 0 H ASP A 29 -2.032 6.372 4.373 1.00 0.00 H new ATOM 0 HA ASP A 29 0.812 6.178 4.613 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -0.487 7.988 3.417 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -0.963 8.613 4.983 1.00 0.00 H new ATOM 481 N PRO A 30 1.152 6.062 7.178 1.00 0.00 N ATOM 482 CA PRO A 30 1.274 5.886 8.644 1.00 0.00 C ATOM 483 C PRO A 30 1.661 7.182 9.390 1.00 0.00 C ATOM 484 O PRO A 30 1.649 7.207 10.624 1.00 0.00 O ATOM 485 CB PRO A 30 2.363 4.791 8.759 1.00 0.00 C ATOM 486 CG PRO A 30 3.244 5.017 7.564 1.00 0.00 C ATOM 487 CD PRO A 30 2.316 5.471 6.457 1.00 0.00 C ATOM 0 HA PRO A 30 0.328 5.614 9.113 1.00 0.00 H new ATOM 0 HB2 PRO A 30 2.923 4.883 9.689 1.00 0.00 H new ATOM 0 HB3 PRO A 30 1.926 3.793 8.748 1.00 0.00 H new ATOM 0 HG2 PRO A 30 4.003 5.770 7.773 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.770 4.104 7.286 1.00 0.00 H new ATOM 0 HD2 PRO A 30 2.797 6.203 5.809 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.012 4.637 5.825 1.00 0.00 H new ATOM 495 N GLU A 31 1.988 8.251 8.640 1.00 0.00 N ATOM 496 CA GLU A 31 2.426 9.528 9.225 1.00 0.00 C ATOM 497 C GLU A 31 1.251 10.515 9.352 1.00 0.00 C ATOM 498 O GLU A 31 1.012 11.059 10.431 1.00 0.00 O ATOM 499 CB GLU A 31 3.551 10.136 8.353 1.00 0.00 C ATOM 500 CG GLU A 31 4.719 9.176 8.064 1.00 0.00 C ATOM 501 CD GLU A 31 5.862 9.860 7.298 1.00 0.00 C ATOM 502 OE1 GLU A 31 5.855 9.861 6.045 1.00 0.00 O ATOM 503 OE2 GLU A 31 6.764 10.425 7.949 1.00 0.00 O ATOM 0 H GLU A 31 1.956 8.253 7.621 1.00 0.00 H new ATOM 0 HA GLU A 31 2.807 9.339 10.228 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.123 10.464 7.406 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.941 11.024 8.851 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.101 8.780 9.005 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.354 8.327 7.485 1.00 0.00 H new ATOM 510 N THR A 32 0.531 10.741 8.236 1.00 0.00 N ATOM 511 CA THR A 32 -0.573 11.727 8.164 1.00 0.00 C ATOM 512 C THR A 32 -1.961 11.065 8.232 1.00 0.00 C ATOM 513 O THR A 32 -2.913 11.681 8.722 1.00 0.00 O ATOM 514 CB THR A 32 -0.457 12.603 6.872 1.00 0.00 C ATOM 515 OG1 THR A 32 -0.479 11.765 5.700 1.00 0.00 O ATOM 516 CG2 THR A 32 0.831 13.446 6.863 1.00 0.00 C ATOM 0 H THR A 32 0.695 10.248 7.359 1.00 0.00 H new ATOM 0 HA THR A 32 -0.474 12.368 9.040 1.00 0.00 H new ATOM 0 HB THR A 32 -1.311 13.281 6.865 1.00 0.00 H new ATOM 0 HG1 THR A 32 0.280 11.146 5.726 1.00 0.00 H new ATOM 0 HG21 THR A 32 0.872 14.039 5.949 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.837 14.111 7.727 1.00 0.00 H new ATOM 0 HG23 THR A 32 1.698 12.787 6.907 1.00 0.00 H new ATOM 524 N GLY A 33 -2.068 9.818 7.738 1.00 0.00 N ATOM 525 CA GLY A 33 -3.322 9.051 7.787 1.00 0.00 C ATOM 526 C GLY A 33 -4.095 9.052 6.472 1.00 0.00 C ATOM 527 O GLY A 33 -5.307 8.808 6.473 1.00 0.00 O ATOM 0 H GLY A 33 -1.295 9.319 7.298 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.097 8.021 8.065 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.958 9.461 8.572 1.00 0.00 H new ATOM 531 N LYS A 34 -3.401 9.341 5.342 1.00 0.00 N ATOM 532 CA LYS A 34 -4.013 9.269 3.992 1.00 0.00 C ATOM 533 C LYS A 34 -4.349 7.807 3.623 1.00 0.00 C ATOM 534 O LYS A 34 -3.456 7.027 3.307 1.00 0.00 O ATOM 535 CB LYS A 34 -3.053 9.857 2.918 1.00 0.00 C ATOM 536 CG LYS A 34 -2.646 11.322 3.141 1.00 0.00 C ATOM 537 CD LYS A 34 -1.718 11.858 2.026 1.00 0.00 C ATOM 538 CE LYS A 34 -1.365 13.343 2.208 1.00 0.00 C ATOM 539 NZ LYS A 34 -0.661 13.605 3.489 1.00 0.00 N ATOM 0 H LYS A 34 -2.421 9.625 5.339 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.931 9.857 4.014 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -2.151 9.246 2.886 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -3.530 9.773 1.941 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.542 11.941 3.191 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.142 11.413 4.103 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -0.800 11.270 2.010 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.202 11.720 1.059 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.737 13.669 1.378 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.278 13.938 2.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.191 14.312 4.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -0.593 12.722 4.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.295 13.965 3.293 1.00 0.00 H new ATOM 553 N VAL A 35 -5.640 7.459 3.662 1.00 0.00 N ATOM 554 CA VAL A 35 -6.131 6.116 3.286 1.00 0.00 C ATOM 555 C VAL A 35 -6.889 6.224 1.951 1.00 0.00 C ATOM 556 O VAL A 35 -7.935 6.886 1.887 1.00 0.00 O ATOM 557 CB VAL A 35 -7.056 5.485 4.403 1.00 0.00 C ATOM 558 CG1 VAL A 35 -7.478 4.046 4.031 1.00 0.00 C ATOM 559 CG2 VAL A 35 -6.360 5.511 5.783 1.00 0.00 C ATOM 0 H VAL A 35 -6.380 8.097 3.955 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.275 5.450 3.179 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.957 6.095 4.467 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.113 3.638 4.817 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.029 4.060 3.091 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.590 3.423 3.922 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.019 5.071 6.531 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.434 4.939 5.734 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.136 6.542 6.058 1.00 0.00 H new ATOM 569 N GLU A 36 -6.367 5.572 0.898 1.00 0.00 N ATOM 570 CA GLU A 36 -6.916 5.674 -0.463 1.00 0.00 C ATOM 571 C GLU A 36 -6.576 4.400 -1.255 1.00 0.00 C ATOM 572 O GLU A 36 -5.520 3.794 -1.040 1.00 0.00 O ATOM 573 CB GLU A 36 -6.351 6.944 -1.168 1.00 0.00 C ATOM 574 CG GLU A 36 -6.901 7.212 -2.590 1.00 0.00 C ATOM 575 CD GLU A 36 -8.434 7.346 -2.632 1.00 0.00 C ATOM 576 OE1 GLU A 36 -8.958 8.390 -2.199 1.00 0.00 O ATOM 577 OE2 GLU A 36 -9.127 6.408 -3.084 1.00 0.00 O ATOM 0 H GLU A 36 -5.554 4.960 0.967 1.00 0.00 H new ATOM 0 HA GLU A 36 -8.001 5.768 -0.415 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.566 7.812 -0.544 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -5.266 6.854 -1.227 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.452 8.126 -2.980 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.596 6.400 -3.250 1.00 0.00 H new ATOM 584 N ILE A 37 -7.478 4.011 -2.171 1.00 0.00 N ATOM 585 CA ILE A 37 -7.328 2.793 -2.975 1.00 0.00 C ATOM 586 C ILE A 37 -6.435 3.098 -4.195 1.00 0.00 C ATOM 587 O ILE A 37 -6.884 3.702 -5.179 1.00 0.00 O ATOM 588 CB ILE A 37 -8.727 2.221 -3.427 1.00 0.00 C ATOM 589 CG1 ILE A 37 -9.648 1.988 -2.184 1.00 0.00 C ATOM 590 CG2 ILE A 37 -8.558 0.912 -4.245 1.00 0.00 C ATOM 591 CD1 ILE A 37 -11.010 1.404 -2.494 1.00 0.00 C ATOM 0 H ILE A 37 -8.330 4.534 -2.373 1.00 0.00 H new ATOM 0 HA ILE A 37 -6.855 2.025 -2.364 1.00 0.00 H new ATOM 0 HB ILE A 37 -9.203 2.957 -4.075 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -9.134 1.323 -1.490 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -9.786 2.939 -1.670 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -9.538 0.540 -4.543 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -7.960 1.113 -5.134 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -8.057 0.162 -3.633 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -11.572 1.280 -1.568 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -11.551 2.076 -3.160 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -10.889 0.434 -2.977 1.00 0.00 H new ATOM 603 N ALA A 38 -5.157 2.715 -4.087 1.00 0.00 N ATOM 604 CA ALA A 38 -4.162 2.917 -5.155 1.00 0.00 C ATOM 605 C ALA A 38 -4.113 1.710 -6.093 1.00 0.00 C ATOM 606 O ALA A 38 -4.490 0.602 -5.700 1.00 0.00 O ATOM 607 CB ALA A 38 -2.788 3.167 -4.548 1.00 0.00 C ATOM 0 H ALA A 38 -4.780 2.256 -3.258 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.458 3.789 -5.738 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -2.060 3.315 -5.345 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -2.824 4.057 -3.920 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -2.495 2.308 -3.944 1.00 0.00 H new ATOM 613 N GLU A 39 -3.577 1.928 -7.302 1.00 0.00 N ATOM 614 CA GLU A 39 -3.502 0.899 -8.356 1.00 0.00 C ATOM 615 C GLU A 39 -2.056 0.422 -8.452 1.00 0.00 C ATOM 616 O GLU A 39 -1.148 1.241 -8.667 1.00 0.00 O ATOM 617 CB GLU A 39 -4.006 1.463 -9.717 1.00 0.00 C ATOM 618 CG GLU A 39 -5.440 2.037 -9.655 1.00 0.00 C ATOM 619 CD GLU A 39 -5.940 2.635 -10.979 1.00 0.00 C ATOM 620 OE1 GLU A 39 -6.518 1.893 -11.799 1.00 0.00 O ATOM 621 OE2 GLU A 39 -5.769 3.858 -11.198 1.00 0.00 O ATOM 0 H GLU A 39 -3.181 2.826 -7.580 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.148 0.057 -8.106 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.325 2.245 -10.052 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.973 0.670 -10.464 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.123 1.245 -9.347 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.477 2.807 -8.885 1.00 0.00 H new ATOM 628 N ILE A 40 -1.841 -0.896 -8.268 1.00 0.00 N ATOM 629 CA ILE A 40 -0.498 -1.475 -8.177 1.00 0.00 C ATOM 630 C ILE A 40 0.129 -1.547 -9.584 1.00 0.00 C ATOM 631 O ILE A 40 -0.336 -2.295 -10.451 1.00 0.00 O ATOM 632 CB ILE A 40 -0.531 -2.894 -7.485 1.00 0.00 C ATOM 633 CG1 ILE A 40 -1.166 -2.779 -6.055 1.00 0.00 C ATOM 634 CG2 ILE A 40 0.890 -3.521 -7.413 1.00 0.00 C ATOM 635 CD1 ILE A 40 -1.204 -4.062 -5.249 1.00 0.00 C ATOM 0 H ILE A 40 -2.592 -1.580 -8.180 1.00 0.00 H new ATOM 0 HA ILE A 40 0.122 -0.833 -7.551 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.149 -3.557 -8.091 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.609 -2.032 -5.489 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.185 -2.406 -6.159 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.833 -4.497 -6.931 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.288 -3.636 -8.421 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.546 -2.870 -6.836 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.662 -3.869 -4.279 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.789 -4.810 -5.784 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.189 -4.431 -5.104 1.00 0.00 H new ATOM 647 N ARG A 41 1.166 -0.731 -9.795 1.00 0.00 N ATOM 648 CA ARG A 41 1.913 -0.667 -11.061 1.00 0.00 C ATOM 649 C ARG A 41 2.808 -1.906 -11.216 1.00 0.00 C ATOM 650 O ARG A 41 2.928 -2.478 -12.299 1.00 0.00 O ATOM 651 CB ARG A 41 2.789 0.611 -11.082 1.00 0.00 C ATOM 652 CG ARG A 41 2.010 1.937 -10.989 1.00 0.00 C ATOM 653 CD ARG A 41 2.949 3.152 -11.012 1.00 0.00 C ATOM 654 NE ARG A 41 2.204 4.418 -10.991 1.00 0.00 N ATOM 655 CZ ARG A 41 2.714 5.614 -10.650 1.00 0.00 C ATOM 656 NH1 ARG A 41 3.979 5.737 -10.271 1.00 0.00 N ATOM 657 NH2 ARG A 41 1.941 6.691 -10.681 1.00 0.00 N ATOM 0 H ARG A 41 1.517 -0.088 -9.085 1.00 0.00 H new ATOM 0 HA ARG A 41 1.203 -0.639 -11.888 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.495 0.563 -10.253 1.00 0.00 H new ATOM 0 HB3 ARG A 41 3.376 0.616 -12.000 1.00 0.00 H new ATOM 0 HG2 ARG A 41 1.307 2.005 -11.819 1.00 0.00 H new ATOM 0 HG3 ARG A 41 1.422 1.949 -10.072 1.00 0.00 H new ATOM 0 HD2 ARG A 41 3.619 3.110 -10.153 1.00 0.00 H new ATOM 0 HD3 ARG A 41 3.573 3.112 -11.905 1.00 0.00 H new ATOM 0 HE ARG A 41 1.220 4.387 -11.257 1.00 0.00 H new ATOM 0 HH11 ARG A 41 4.583 4.916 -10.235 1.00 0.00 H new ATOM 0 HH12 ARG A 41 4.348 6.653 -10.016 1.00 0.00 H new ATOM 0 HH21 ARG A 41 0.964 6.610 -10.963 1.00 0.00 H new ATOM 0 HH22 ARG A 41 2.323 7.601 -10.423 1.00 0.00 H new ATOM 671 N ASN A 42 3.419 -2.309 -10.098 1.00 0.00 N ATOM 672 CA ASN A 42 4.422 -3.377 -10.060 1.00 0.00 C ATOM 673 C ASN A 42 4.252 -4.173 -8.754 1.00 0.00 C ATOM 674 O ASN A 42 4.183 -3.577 -7.678 1.00 0.00 O ATOM 675 CB ASN A 42 5.841 -2.741 -10.167 1.00 0.00 C ATOM 676 CG ASN A 42 6.990 -3.752 -10.172 1.00 0.00 C ATOM 677 OD1 ASN A 42 6.826 -4.911 -10.556 1.00 0.00 O ATOM 678 ND2 ASN A 42 8.167 -3.318 -9.748 1.00 0.00 N ATOM 0 H ASN A 42 3.229 -1.898 -9.184 1.00 0.00 H new ATOM 0 HA ASN A 42 4.294 -4.064 -10.896 1.00 0.00 H new ATOM 0 HB2 ASN A 42 5.892 -2.148 -11.080 1.00 0.00 H new ATOM 0 HB3 ASN A 42 5.982 -2.054 -9.332 1.00 0.00 H new ATOM 0 HD21 ASN A 42 8.968 -3.949 -9.733 1.00 0.00 H new ATOM 0 HD22 ASN A 42 8.272 -2.353 -9.436 1.00 0.00 H new ATOM 685 N VAL A 43 4.198 -5.516 -8.861 1.00 0.00 N ATOM 686 CA VAL A 43 3.936 -6.408 -7.706 1.00 0.00 C ATOM 687 C VAL A 43 5.219 -6.694 -6.903 1.00 0.00 C ATOM 688 O VAL A 43 5.151 -7.327 -5.841 1.00 0.00 O ATOM 689 CB VAL A 43 3.267 -7.764 -8.154 1.00 0.00 C ATOM 690 CG1 VAL A 43 1.880 -7.512 -8.787 1.00 0.00 C ATOM 691 CG2 VAL A 43 4.184 -8.567 -9.110 1.00 0.00 C ATOM 0 H VAL A 43 4.333 -6.013 -9.742 1.00 0.00 H new ATOM 0 HA VAL A 43 3.237 -5.878 -7.059 1.00 0.00 H new ATOM 0 HB VAL A 43 3.124 -8.371 -7.260 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.439 -8.462 -9.088 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.231 -7.025 -8.059 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.990 -6.870 -9.661 1.00 0.00 H new ATOM 0 HG21 VAL A 43 3.688 -9.494 -9.396 1.00 0.00 H new ATOM 0 HG22 VAL A 43 4.388 -7.974 -10.002 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.122 -8.798 -8.606 1.00 0.00 H new ATOM 914 N ILE A 57 1.694 -12.869 -7.535 1.00 0.00 N ATOM 915 CA ILE A 57 1.289 -13.134 -6.154 1.00 0.00 C ATOM 916 C ILE A 57 2.062 -12.185 -5.235 1.00 0.00 C ATOM 917 O ILE A 57 3.279 -11.998 -5.383 1.00 0.00 O ATOM 918 CB ILE A 57 1.528 -14.639 -5.756 1.00 0.00 C ATOM 919 CG1 ILE A 57 1.124 -14.911 -4.268 1.00 0.00 C ATOM 920 CG2 ILE A 57 2.986 -15.088 -6.039 1.00 0.00 C ATOM 921 CD1 ILE A 57 -0.349 -14.684 -3.943 1.00 0.00 C ATOM 0 HA ILE A 57 0.219 -12.957 -6.050 1.00 0.00 H new ATOM 0 HB ILE A 57 0.878 -15.243 -6.388 1.00 0.00 H new ATOM 0 HG12 ILE A 57 1.379 -15.942 -4.022 1.00 0.00 H new ATOM 0 HG13 ILE A 57 1.725 -14.271 -3.622 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.108 -16.132 -5.750 1.00 0.00 H new ATOM 0 HG22 ILE A 57 3.201 -14.978 -7.102 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.675 -14.470 -5.464 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.526 -14.899 -2.889 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -0.612 -13.647 -4.151 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -0.963 -15.344 -4.556 1.00 0.00 H new ATOM 933 N ILE A 58 1.325 -11.552 -4.330 1.00 0.00 N ATOM 934 CA ILE A 58 1.860 -10.604 -3.351 1.00 0.00 C ATOM 935 C ILE A 58 1.681 -11.201 -1.946 1.00 0.00 C ATOM 936 O ILE A 58 0.693 -11.898 -1.692 1.00 0.00 O ATOM 937 CB ILE A 58 1.117 -9.219 -3.467 1.00 0.00 C ATOM 938 CG1 ILE A 58 1.200 -8.677 -4.941 1.00 0.00 C ATOM 939 CG2 ILE A 58 1.712 -8.192 -2.477 1.00 0.00 C ATOM 940 CD1 ILE A 58 0.429 -7.399 -5.216 1.00 0.00 C ATOM 0 H ILE A 58 0.317 -11.684 -4.252 1.00 0.00 H new ATOM 0 HA ILE A 58 2.919 -10.429 -3.542 1.00 0.00 H new ATOM 0 HB ILE A 58 0.069 -9.369 -3.210 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.248 -8.508 -5.188 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.835 -9.452 -5.615 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.184 -7.244 -2.575 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.604 -8.564 -1.458 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.769 -8.043 -2.699 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.555 -7.116 -6.261 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.629 -7.561 -5.009 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.806 -6.602 -4.576 1.00 0.00 H new ATOM 952 N THR A 59 2.648 -10.950 -1.051 1.00 0.00 N ATOM 953 CA THR A 59 2.612 -11.442 0.336 1.00 0.00 C ATOM 954 C THR A 59 2.683 -10.272 1.324 1.00 0.00 C ATOM 955 O THR A 59 2.968 -9.130 0.934 1.00 0.00 O ATOM 956 CB THR A 59 3.775 -12.462 0.600 1.00 0.00 C ATOM 957 OG1 THR A 59 5.038 -11.906 0.188 1.00 0.00 O ATOM 958 CG2 THR A 59 3.540 -13.801 -0.125 1.00 0.00 C ATOM 0 H THR A 59 3.479 -10.399 -1.268 1.00 0.00 H new ATOM 0 HA THR A 59 1.667 -11.963 0.487 1.00 0.00 H new ATOM 0 HB THR A 59 3.794 -12.656 1.672 1.00 0.00 H new ATOM 0 HG1 THR A 59 5.753 -12.554 0.361 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.368 -14.478 0.084 1.00 0.00 H new ATOM 0 HG22 THR A 59 2.609 -14.246 0.226 1.00 0.00 H new ATOM 0 HG23 THR A 59 3.476 -13.627 -1.199 1.00 0.00 H new ATOM 966 N ARG A 60 2.407 -10.571 2.605 1.00 0.00 N ATOM 967 CA ARG A 60 2.466 -9.583 3.695 1.00 0.00 C ATOM 968 C ARG A 60 3.938 -9.220 4.001 1.00 0.00 C ATOM 969 O ARG A 60 4.788 -10.111 4.137 1.00 0.00 O ATOM 970 CB ARG A 60 1.747 -10.142 4.947 1.00 0.00 C ATOM 971 CG ARG A 60 1.720 -9.183 6.160 1.00 0.00 C ATOM 972 CD ARG A 60 0.932 -9.766 7.343 1.00 0.00 C ATOM 973 NE ARG A 60 1.501 -11.049 7.787 1.00 0.00 N ATOM 974 CZ ARG A 60 1.265 -11.642 8.965 1.00 0.00 C ATOM 975 NH1 ARG A 60 0.526 -11.056 9.895 1.00 0.00 N ATOM 976 NH2 ARG A 60 1.787 -12.832 9.206 1.00 0.00 N ATOM 0 H ARG A 60 2.137 -11.505 2.914 1.00 0.00 H new ATOM 0 HA ARG A 60 1.954 -8.670 3.390 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.721 -10.394 4.678 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.235 -11.070 5.246 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.741 -8.970 6.476 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.274 -8.234 5.861 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.939 -9.057 8.171 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -0.109 -9.909 7.054 1.00 0.00 H new ATOM 0 HE ARG A 60 2.129 -11.528 7.142 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.124 -10.135 9.721 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.359 -11.526 10.785 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.363 -13.289 8.499 1.00 0.00 H new ATOM 0 HH22 ARG A 60 1.614 -13.293 10.099 1.00 0.00 H new ATOM 990 N GLY A 61 4.217 -7.909 4.076 1.00 0.00 N ATOM 991 CA GLY A 61 5.566 -7.377 4.309 1.00 0.00 C ATOM 992 C GLY A 61 6.346 -7.149 3.022 1.00 0.00 C ATOM 993 O GLY A 61 7.481 -6.662 3.068 1.00 0.00 O ATOM 0 H GLY A 61 3.506 -7.184 3.976 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.490 -6.436 4.853 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.119 -8.069 4.945 1.00 0.00 H new ATOM 997 N ALA A 62 5.732 -7.501 1.878 1.00 0.00 N ATOM 998 CA ALA A 62 6.342 -7.340 0.548 1.00 0.00 C ATOM 999 C ALA A 62 6.093 -5.917 0.020 1.00 0.00 C ATOM 1000 O ALA A 62 4.961 -5.405 0.111 1.00 0.00 O ATOM 1001 CB ALA A 62 5.778 -8.387 -0.423 1.00 0.00 C ATOM 0 H ALA A 62 4.796 -7.906 1.851 1.00 0.00 H new ATOM 0 HA ALA A 62 7.418 -7.493 0.630 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.236 -8.258 -1.403 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.998 -9.387 -0.048 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.699 -8.261 -0.508 1.00 0.00 H new ATOM 1007 N VAL A 63 7.159 -5.262 -0.492 1.00 0.00 N ATOM 1008 CA VAL A 63 7.061 -3.908 -1.061 1.00 0.00 C ATOM 1009 C VAL A 63 6.571 -3.983 -2.522 1.00 0.00 C ATOM 1010 O VAL A 63 7.262 -4.510 -3.398 1.00 0.00 O ATOM 1011 CB VAL A 63 8.431 -3.125 -1.012 1.00 0.00 C ATOM 1012 CG1 VAL A 63 8.263 -1.669 -1.514 1.00 0.00 C ATOM 1013 CG2 VAL A 63 9.058 -3.147 0.390 1.00 0.00 C ATOM 0 H VAL A 63 8.100 -5.656 -0.521 1.00 0.00 H new ATOM 0 HA VAL A 63 6.346 -3.360 -0.447 1.00 0.00 H new ATOM 0 HB VAL A 63 9.115 -3.643 -1.684 1.00 0.00 H new ATOM 0 HG11 VAL A 63 9.223 -1.155 -1.468 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.905 -1.678 -2.543 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.542 -1.148 -0.884 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.999 -2.596 0.377 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.375 -2.682 1.101 1.00 0.00 H new ATOM 0 HG23 VAL A 63 9.246 -4.178 0.689 1.00 0.00 H new ATOM 1023 N VAL A 64 5.371 -3.463 -2.752 1.00 0.00 N ATOM 1024 CA VAL A 64 4.818 -3.244 -4.091 1.00 0.00 C ATOM 1025 C VAL A 64 4.944 -1.754 -4.433 1.00 0.00 C ATOM 1026 O VAL A 64 5.251 -0.936 -3.557 1.00 0.00 O ATOM 1027 CB VAL A 64 3.315 -3.698 -4.178 1.00 0.00 C ATOM 1028 CG1 VAL A 64 3.177 -5.207 -3.876 1.00 0.00 C ATOM 1029 CG2 VAL A 64 2.396 -2.857 -3.247 1.00 0.00 C ATOM 0 H VAL A 64 4.741 -3.175 -2.003 1.00 0.00 H new ATOM 0 HA VAL A 64 5.378 -3.845 -4.808 1.00 0.00 H new ATOM 0 HB VAL A 64 2.983 -3.521 -5.201 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.128 -5.497 -3.942 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.758 -5.778 -4.601 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.547 -5.412 -2.872 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.367 -3.205 -3.340 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.725 -2.968 -2.214 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.451 -1.807 -3.534 1.00 0.00 H new ATOM 1039 N GLU A 65 4.744 -1.408 -5.698 1.00 0.00 N ATOM 1040 CA GLU A 65 4.738 -0.013 -6.148 1.00 0.00 C ATOM 1041 C GLU A 65 3.373 0.306 -6.795 1.00 0.00 C ATOM 1042 O GLU A 65 2.847 -0.499 -7.572 1.00 0.00 O ATOM 1043 CB GLU A 65 5.919 0.218 -7.114 1.00 0.00 C ATOM 1044 CG GLU A 65 6.166 1.697 -7.459 1.00 0.00 C ATOM 1045 CD GLU A 65 7.531 1.924 -8.103 1.00 0.00 C ATOM 1046 OE1 GLU A 65 8.529 2.042 -7.357 1.00 0.00 O ATOM 1047 OE2 GLU A 65 7.622 1.984 -9.346 1.00 0.00 O ATOM 0 H GLU A 65 4.581 -2.083 -6.445 1.00 0.00 H new ATOM 0 HA GLU A 65 4.869 0.666 -5.306 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.824 -0.197 -6.671 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.734 -0.333 -8.036 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.386 2.045 -8.136 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.091 2.296 -6.552 1.00 0.00 H new ATOM 1054 N THR A 66 2.805 1.470 -6.434 1.00 0.00 N ATOM 1055 CA THR A 66 1.437 1.869 -6.792 1.00 0.00 C ATOM 1056 C THR A 66 1.437 3.290 -7.374 1.00 0.00 C ATOM 1057 O THR A 66 2.501 3.905 -7.556 1.00 0.00 O ATOM 1058 CB THR A 66 0.483 1.816 -5.535 1.00 0.00 C ATOM 1059 OG1 THR A 66 0.863 2.826 -4.582 1.00 0.00 O ATOM 1060 CG2 THR A 66 0.486 0.438 -4.835 1.00 0.00 C ATOM 0 H THR A 66 3.294 2.170 -5.876 1.00 0.00 H new ATOM 0 HA THR A 66 1.067 1.167 -7.540 1.00 0.00 H new ATOM 0 HB THR A 66 -0.526 1.997 -5.905 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.804 2.706 -4.336 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.188 0.463 -3.979 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.153 -0.327 -5.536 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.495 0.205 -4.495 1.00 0.00 H new ATOM 1068 N ASN A 67 0.223 3.804 -7.670 1.00 0.00 N ATOM 1069 CA ASN A 67 0.038 5.186 -8.150 1.00 0.00 C ATOM 1070 C ASN A 67 0.341 6.220 -7.059 1.00 0.00 C ATOM 1071 O ASN A 67 0.654 7.364 -7.387 1.00 0.00 O ATOM 1072 CB ASN A 67 -1.387 5.421 -8.722 1.00 0.00 C ATOM 1073 CG ASN A 67 -1.658 4.662 -10.027 1.00 0.00 C ATOM 1074 OD1 ASN A 67 -0.744 4.308 -10.768 1.00 0.00 O ATOM 1075 ND2 ASN A 67 -2.918 4.456 -10.346 1.00 0.00 N ATOM 0 H ASN A 67 -0.646 3.277 -7.583 1.00 0.00 H new ATOM 0 HA ASN A 67 0.756 5.321 -8.959 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -2.123 5.119 -7.977 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -1.528 6.488 -8.896 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -3.153 3.994 -11.224 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -3.660 4.759 -9.715 1.00 0.00 H new ATOM 1082 N LEU A 68 0.243 5.820 -5.771 1.00 0.00 N ATOM 1083 CA LEU A 68 0.594 6.701 -4.643 1.00 0.00 C ATOM 1084 C LEU A 68 2.102 6.611 -4.338 1.00 0.00 C ATOM 1085 O LEU A 68 2.744 7.628 -4.072 1.00 0.00 O ATOM 1086 CB LEU A 68 -0.252 6.352 -3.390 1.00 0.00 C ATOM 1087 CG LEU A 68 -1.805 6.560 -3.524 1.00 0.00 C ATOM 1088 CD1 LEU A 68 -2.545 6.261 -2.193 1.00 0.00 C ATOM 1089 CD2 LEU A 68 -2.153 7.981 -4.042 1.00 0.00 C ATOM 0 H LEU A 68 -0.076 4.893 -5.491 1.00 0.00 H new ATOM 0 HA LEU A 68 0.366 7.729 -4.923 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -0.067 5.310 -3.130 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.104 6.957 -2.556 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.154 5.841 -4.265 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.615 6.417 -2.329 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.363 5.227 -1.900 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.177 6.929 -1.414 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.235 8.085 -4.121 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.767 8.726 -3.347 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.702 8.131 -5.023 1.00 0.00 H new ATOM 1101 N GLY A 69 2.646 5.382 -4.384 1.00 0.00 N ATOM 1102 CA GLY A 69 4.076 5.149 -4.152 1.00 0.00 C ATOM 1103 C GLY A 69 4.386 3.718 -3.754 1.00 0.00 C ATOM 1104 O GLY A 69 3.590 2.813 -4.022 1.00 0.00 O ATOM 0 H GLY A 69 2.112 4.535 -4.580 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.631 5.397 -5.057 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.426 5.822 -3.369 1.00 0.00 H new ATOM 1108 N ASN A 70 5.553 3.495 -3.116 1.00 0.00 N ATOM 1109 CA ASN A 70 5.940 2.158 -2.625 1.00 0.00 C ATOM 1110 C ASN A 70 5.178 1.852 -1.327 1.00 0.00 C ATOM 1111 O ASN A 70 5.212 2.641 -0.386 1.00 0.00 O ATOM 1112 CB ASN A 70 7.469 2.047 -2.402 1.00 0.00 C ATOM 1113 CG ASN A 70 8.263 2.155 -3.705 1.00 0.00 C ATOM 1114 OD1 ASN A 70 8.700 3.237 -4.094 1.00 0.00 O ATOM 1115 ND2 ASN A 70 8.425 1.041 -4.407 1.00 0.00 N ATOM 0 H ASN A 70 6.243 4.223 -2.929 1.00 0.00 H new ATOM 0 HA ASN A 70 5.675 1.423 -3.385 1.00 0.00 H new ATOM 0 HB2 ASN A 70 7.791 2.833 -1.719 1.00 0.00 H new ATOM 0 HB3 ASN A 70 7.694 1.095 -1.922 1.00 0.00 H new ATOM 0 HD21 ASN A 70 8.924 1.067 -5.296 1.00 0.00 H new ATOM 0 HD22 ASN A 70 8.051 0.159 -4.057 1.00 0.00 H new ATOM 1122 N VAL A 71 4.458 0.724 -1.316 1.00 0.00 N ATOM 1123 CA VAL A 71 3.590 0.302 -0.206 1.00 0.00 C ATOM 1124 C VAL A 71 4.017 -1.100 0.280 1.00 0.00 C ATOM 1125 O VAL A 71 4.432 -1.929 -0.523 1.00 0.00 O ATOM 1126 CB VAL A 71 2.087 0.267 -0.703 1.00 0.00 C ATOM 1127 CG1 VAL A 71 1.103 -0.084 0.429 1.00 0.00 C ATOM 1128 CG2 VAL A 71 1.690 1.601 -1.382 1.00 0.00 C ATOM 0 H VAL A 71 4.461 0.064 -2.094 1.00 0.00 H new ATOM 0 HA VAL A 71 3.681 1.007 0.620 1.00 0.00 H new ATOM 0 HB VAL A 71 2.021 -0.529 -1.444 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.086 -0.095 0.037 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.347 -1.067 0.832 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.178 0.661 1.221 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.653 1.546 -1.713 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.801 2.419 -0.670 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.336 1.778 -2.242 1.00 0.00 H new ATOM 1138 N ARG A 72 3.908 -1.359 1.594 1.00 0.00 N ATOM 1139 CA ARG A 72 4.040 -2.725 2.155 1.00 0.00 C ATOM 1140 C ARG A 72 2.673 -3.217 2.595 1.00 0.00 C ATOM 1141 O ARG A 72 1.931 -2.480 3.231 1.00 0.00 O ATOM 1142 CB ARG A 72 5.030 -2.809 3.351 1.00 0.00 C ATOM 1143 CG ARG A 72 6.473 -3.176 2.951 1.00 0.00 C ATOM 1144 CD ARG A 72 7.374 -3.489 4.155 1.00 0.00 C ATOM 1145 NE ARG A 72 8.729 -3.905 3.748 1.00 0.00 N ATOM 1146 CZ ARG A 72 9.867 -3.243 4.030 1.00 0.00 C ATOM 1147 NH1 ARG A 72 9.840 -2.094 4.680 1.00 0.00 N ATOM 1148 NH2 ARG A 72 11.024 -3.761 3.666 1.00 0.00 N ATOM 0 H ARG A 72 3.728 -0.640 2.295 1.00 0.00 H new ATOM 0 HA ARG A 72 4.449 -3.355 1.365 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.041 -1.849 3.868 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.662 -3.549 4.062 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.450 -4.041 2.288 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.907 -2.352 2.385 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.443 -2.608 4.793 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.918 -4.279 4.752 1.00 0.00 H new ATOM 0 HE ARG A 72 8.811 -4.766 3.208 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.949 -1.696 4.976 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.711 -1.604 4.886 1.00 0.00 H new ATOM 0 HH21 ARG A 72 11.051 -4.655 3.176 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.892 -3.268 3.875 1.00 0.00 H new ATOM 1162 N VAL A 73 2.388 -4.477 2.282 1.00 0.00 N ATOM 1163 CA VAL A 73 1.127 -5.125 2.629 1.00 0.00 C ATOM 1164 C VAL A 73 1.118 -5.468 4.136 1.00 0.00 C ATOM 1165 O VAL A 73 1.986 -6.197 4.620 1.00 0.00 O ATOM 1166 CB VAL A 73 0.916 -6.410 1.756 1.00 0.00 C ATOM 1167 CG1 VAL A 73 -0.415 -7.113 2.092 1.00 0.00 C ATOM 1168 CG2 VAL A 73 0.996 -6.059 0.251 1.00 0.00 C ATOM 0 H VAL A 73 3.032 -5.084 1.775 1.00 0.00 H new ATOM 0 HA VAL A 73 0.302 -4.443 2.423 1.00 0.00 H new ATOM 0 HB VAL A 73 1.718 -7.110 1.990 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.526 -7.999 1.467 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.416 -7.407 3.142 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.244 -6.431 1.905 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.848 -6.962 -0.342 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.222 -5.332 0.005 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.975 -5.635 0.028 1.00 0.00 H new ATOM 1178 N THR A 74 0.144 -4.913 4.868 1.00 0.00 N ATOM 1179 CA THR A 74 -0.011 -5.136 6.317 1.00 0.00 C ATOM 1180 C THR A 74 -1.068 -6.210 6.582 1.00 0.00 C ATOM 1181 O THR A 74 -1.100 -6.814 7.656 1.00 0.00 O ATOM 1182 CB THR A 74 -0.397 -3.811 7.038 1.00 0.00 C ATOM 1183 OG1 THR A 74 -1.561 -3.232 6.415 1.00 0.00 O ATOM 1184 CG2 THR A 74 0.763 -2.804 7.010 1.00 0.00 C ATOM 0 H THR A 74 -0.564 -4.293 4.473 1.00 0.00 H new ATOM 0 HA THR A 74 0.944 -5.480 6.714 1.00 0.00 H new ATOM 0 HB THR A 74 -0.620 -4.046 8.079 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.799 -2.400 6.875 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.463 -1.889 7.521 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.630 -3.233 7.513 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.021 -2.574 5.976 1.00 0.00 H new ATOM 1192 N SER A 75 -1.939 -6.427 5.588 1.00 0.00 N ATOM 1193 CA SER A 75 -2.952 -7.493 5.618 1.00 0.00 C ATOM 1194 C SER A 75 -2.388 -8.762 4.963 1.00 0.00 C ATOM 1195 O SER A 75 -1.205 -8.828 4.630 1.00 0.00 O ATOM 1196 CB SER A 75 -4.219 -7.028 4.871 1.00 0.00 C ATOM 1197 OG SER A 75 -3.943 -6.798 3.497 1.00 0.00 O ATOM 0 H SER A 75 -1.962 -5.866 4.736 1.00 0.00 H new ATOM 0 HA SER A 75 -3.213 -7.715 6.653 1.00 0.00 H new ATOM 0 HB2 SER A 75 -5.000 -7.782 4.968 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.600 -6.114 5.327 1.00 0.00 H new ATOM 0 HG SER A 75 -3.298 -6.065 3.411 1.00 0.00 H new ATOM 1203 N ARG A 76 -3.247 -9.770 4.792 1.00 0.00 N ATOM 1204 CA ARG A 76 -2.926 -10.986 4.042 1.00 0.00 C ATOM 1205 C ARG A 76 -3.874 -11.024 2.817 1.00 0.00 C ATOM 1206 O ARG A 76 -5.075 -11.306 2.977 1.00 0.00 O ATOM 1207 CB ARG A 76 -3.091 -12.223 4.963 1.00 0.00 C ATOM 1208 CG ARG A 76 -2.312 -12.121 6.300 1.00 0.00 C ATOM 1209 CD ARG A 76 -2.538 -13.323 7.220 1.00 0.00 C ATOM 1210 NE ARG A 76 -1.943 -13.111 8.553 1.00 0.00 N ATOM 1211 CZ ARG A 76 -1.576 -14.085 9.410 1.00 0.00 C ATOM 1212 NH1 ARG A 76 -1.657 -15.363 9.065 1.00 0.00 N ATOM 1213 NH2 ARG A 76 -1.138 -13.774 10.621 1.00 0.00 N ATOM 0 H ARG A 76 -4.193 -9.765 5.174 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.893 -10.995 3.694 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.150 -12.363 5.181 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.756 -13.111 4.426 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -1.247 -12.029 6.087 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.612 -11.211 6.820 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.608 -13.505 7.324 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.105 -14.215 6.766 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.797 -12.147 8.851 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -2.001 -15.621 8.140 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.375 -16.088 9.725 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -1.078 -12.797 10.906 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -0.861 -14.512 11.268 1.00 0.00 H new ATOM 1227 N PRO A 77 -3.363 -10.681 1.580 1.00 0.00 N ATOM 1228 CA PRO A 77 -4.211 -10.427 0.374 1.00 0.00 C ATOM 1229 C PRO A 77 -5.118 -11.625 -0.012 1.00 0.00 C ATOM 1230 O PRO A 77 -4.795 -12.778 0.280 1.00 0.00 O ATOM 1231 CB PRO A 77 -3.179 -10.119 -0.746 1.00 0.00 C ATOM 1232 CG PRO A 77 -1.885 -10.685 -0.242 1.00 0.00 C ATOM 1233 CD PRO A 77 -1.922 -10.516 1.259 1.00 0.00 C ATOM 0 HA PRO A 77 -4.916 -9.615 0.552 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.471 -10.579 -1.690 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.098 -9.047 -0.925 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -1.784 -11.735 -0.515 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -1.033 -10.160 -0.674 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -1.308 -11.262 1.764 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.550 -9.538 1.564 1.00 0.00 H new ATOM 1241 N GLY A 78 -6.272 -11.324 -0.643 1.00 0.00 N ATOM 1242 CA GLY A 78 -7.193 -12.350 -1.134 1.00 0.00 C ATOM 1243 C GLY A 78 -8.278 -12.720 -0.136 1.00 0.00 C ATOM 1244 O GLY A 78 -9.410 -13.010 -0.541 1.00 0.00 O ATOM 0 H GLY A 78 -6.583 -10.369 -0.822 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -7.661 -11.997 -2.053 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -6.625 -13.245 -1.389 1.00 0.00 H new ATOM 1248 N GLN A 79 -7.930 -12.710 1.178 1.00 0.00 N ATOM 1249 CA GLN A 79 -8.872 -13.050 2.266 1.00 0.00 C ATOM 1250 C GLN A 79 -10.045 -12.061 2.270 1.00 0.00 C ATOM 1251 O GLN A 79 -11.204 -12.439 2.080 1.00 0.00 O ATOM 1252 CB GLN A 79 -8.159 -13.041 3.647 1.00 0.00 C ATOM 1253 CG GLN A 79 -6.943 -13.993 3.761 1.00 0.00 C ATOM 1254 CD GLN A 79 -6.267 -13.968 5.144 1.00 0.00 C ATOM 1255 OE1 GLN A 79 -6.298 -12.960 5.852 1.00 0.00 O ATOM 1256 NE2 GLN A 79 -5.619 -15.060 5.518 1.00 0.00 N ATOM 0 H GLN A 79 -6.995 -12.467 1.506 1.00 0.00 H new ATOM 0 HA GLN A 79 -9.251 -14.057 2.088 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -7.827 -12.025 3.861 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -8.884 -13.309 4.415 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -7.267 -15.011 3.543 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -6.209 -13.723 3.002 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -5.610 -15.880 4.912 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -5.129 -15.081 6.412 1.00 0.00 H new ATOM 1265 N ASP A 80 -9.709 -10.777 2.405 1.00 0.00 N ATOM 1266 CA ASP A 80 -10.686 -9.676 2.385 1.00 0.00 C ATOM 1267 C ASP A 80 -10.856 -9.136 0.953 1.00 0.00 C ATOM 1268 O ASP A 80 -11.140 -7.954 0.784 1.00 0.00 O ATOM 1269 CB ASP A 80 -10.221 -8.550 3.353 1.00 0.00 C ATOM 1270 CG ASP A 80 -10.219 -9.001 4.814 1.00 0.00 C ATOM 1271 OD1 ASP A 80 -9.277 -9.713 5.219 1.00 0.00 O ATOM 1272 OD2 ASP A 80 -11.175 -8.694 5.554 1.00 0.00 O ATOM 0 H ASP A 80 -8.746 -10.465 2.532 1.00 0.00 H new ATOM 0 HA ASP A 80 -11.655 -10.047 2.720 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -9.218 -8.226 3.074 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -10.877 -7.686 3.243 1.00 0.00 H new ATOM 1277 N GLY A 81 -10.729 -10.035 -0.061 1.00 0.00 N ATOM 1278 CA GLY A 81 -10.781 -9.670 -1.485 1.00 0.00 C ATOM 1279 C GLY A 81 -9.622 -8.778 -1.909 1.00 0.00 C ATOM 1280 O GLY A 81 -8.637 -9.247 -2.500 1.00 0.00 O ATOM 0 H GLY A 81 -10.588 -11.033 0.097 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -10.774 -10.578 -2.088 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -11.721 -9.158 -1.690 1.00 0.00 H new ATOM 1284 N VAL A 82 -9.743 -7.492 -1.562 1.00 0.00 N ATOM 1285 CA VAL A 82 -8.740 -6.461 -1.835 1.00 0.00 C ATOM 1286 C VAL A 82 -7.520 -6.630 -0.894 1.00 0.00 C ATOM 1287 O VAL A 82 -7.593 -7.341 0.124 1.00 0.00 O ATOM 1288 CB VAL A 82 -9.396 -5.034 -1.639 1.00 0.00 C ATOM 1289 CG1 VAL A 82 -9.735 -4.761 -0.153 1.00 0.00 C ATOM 1290 CG2 VAL A 82 -8.540 -3.891 -2.243 1.00 0.00 C ATOM 0 H VAL A 82 -10.562 -7.132 -1.072 1.00 0.00 H new ATOM 0 HA VAL A 82 -8.390 -6.560 -2.863 1.00 0.00 H new ATOM 0 HB VAL A 82 -10.332 -5.049 -2.198 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -10.184 -3.772 -0.058 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -10.437 -5.514 0.204 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -8.823 -4.804 0.442 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -9.040 -2.936 -2.078 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -7.562 -3.876 -1.763 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -8.416 -4.056 -3.313 1.00 0.00 H new ATOM 1300 N ILE A 83 -6.417 -5.968 -1.247 1.00 0.00 N ATOM 1301 CA ILE A 83 -5.200 -5.920 -0.437 1.00 0.00 C ATOM 1302 C ILE A 83 -5.251 -4.651 0.447 1.00 0.00 C ATOM 1303 O ILE A 83 -5.872 -3.659 0.062 1.00 0.00 O ATOM 1304 CB ILE A 83 -3.922 -5.895 -1.363 1.00 0.00 C ATOM 1305 CG1 ILE A 83 -4.034 -6.980 -2.480 1.00 0.00 C ATOM 1306 CG2 ILE A 83 -2.639 -6.097 -0.535 1.00 0.00 C ATOM 1307 CD1 ILE A 83 -2.841 -7.073 -3.410 1.00 0.00 C ATOM 0 H ILE A 83 -6.344 -5.442 -2.118 1.00 0.00 H new ATOM 0 HA ILE A 83 -5.139 -6.808 0.192 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.866 -4.916 -1.838 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.183 -7.951 -2.008 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -4.924 -6.775 -3.075 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.772 -6.076 -1.196 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.553 -5.299 0.203 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -2.683 -7.059 -0.025 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -3.016 -7.855 -4.149 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -2.700 -6.119 -3.917 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.948 -7.313 -2.833 1.00 0.00 H new ATOM 1319 N ASN A 84 -4.669 -4.712 1.652 1.00 0.00 N ATOM 1320 CA ASN A 84 -4.469 -3.528 2.531 1.00 0.00 C ATOM 1321 C ASN A 84 -2.976 -3.406 2.871 1.00 0.00 C ATOM 1322 O ASN A 84 -2.275 -4.427 2.999 1.00 0.00 O ATOM 1323 CB ASN A 84 -5.289 -3.607 3.857 1.00 0.00 C ATOM 1324 CG ASN A 84 -6.817 -3.548 3.698 1.00 0.00 C ATOM 1325 OD1 ASN A 84 -7.384 -4.344 2.801 1.00 0.00 O flip ATOM 1326 ND2 ASN A 84 -7.492 -2.830 4.434 1.00 0.00 N flip ATOM 0 H ASN A 84 -4.319 -5.581 2.055 1.00 0.00 H new ATOM 0 HA ASN A 84 -4.825 -2.655 1.984 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -5.030 -4.534 4.368 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -4.977 -2.788 4.505 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -7.034 -2.226 5.117 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -8.509 -2.839 4.362 1.00 0.00 H new ATOM 1333 N GLY A 85 -2.507 -2.165 3.042 1.00 0.00 N ATOM 1334 CA GLY A 85 -1.094 -1.900 3.309 1.00 0.00 C ATOM 1335 C GLY A 85 -0.834 -0.485 3.818 1.00 0.00 C ATOM 1336 O GLY A 85 -1.774 0.274 4.048 1.00 0.00 O ATOM 0 H GLY A 85 -3.089 -1.328 3.000 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.729 -2.617 4.045 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.522 -2.062 2.396 1.00 0.00 H new ATOM 1340 N VAL A 86 0.462 -0.147 4.016 1.00 0.00 N ATOM 1341 CA VAL A 86 0.904 1.188 4.476 1.00 0.00 C ATOM 1342 C VAL A 86 1.888 1.819 3.468 1.00 0.00 C ATOM 1343 O VAL A 86 2.766 1.125 2.932 1.00 0.00 O ATOM 1344 CB VAL A 86 1.580 1.142 5.903 1.00 0.00 C ATOM 1345 CG1 VAL A 86 0.539 0.832 7.000 1.00 0.00 C ATOM 1346 CG2 VAL A 86 2.759 0.128 5.940 1.00 0.00 C ATOM 0 H VAL A 86 1.233 -0.797 3.860 1.00 0.00 H new ATOM 0 HA VAL A 86 0.005 1.801 4.547 1.00 0.00 H new ATOM 0 HB VAL A 86 1.993 2.130 6.106 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.031 0.806 7.972 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.229 1.606 7.002 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.078 -0.135 6.801 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.202 0.121 6.936 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.389 -0.869 5.700 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.513 0.420 5.210 1.00 0.00 H new ATOM 1356 N LEU A 87 1.731 3.129 3.229 1.00 0.00 N ATOM 1357 CA LEU A 87 2.585 3.879 2.301 1.00 0.00 C ATOM 1358 C LEU A 87 3.958 4.127 2.937 1.00 0.00 C ATOM 1359 O LEU A 87 4.071 4.844 3.935 1.00 0.00 O ATOM 1360 CB LEU A 87 1.912 5.226 1.927 1.00 0.00 C ATOM 1361 CG LEU A 87 2.581 6.050 0.773 1.00 0.00 C ATOM 1362 CD1 LEU A 87 2.810 5.189 -0.494 1.00 0.00 C ATOM 1363 CD2 LEU A 87 1.735 7.295 0.428 1.00 0.00 C ATOM 0 H LEU A 87 1.009 3.696 3.674 1.00 0.00 H new ATOM 0 HA LEU A 87 2.721 3.294 1.392 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.878 5.024 1.646 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.883 5.851 2.819 1.00 0.00 H new ATOM 0 HG LEU A 87 3.557 6.375 1.134 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.275 5.798 -1.269 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.463 4.351 -0.251 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.853 4.811 -0.855 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.218 7.852 -0.375 1.00 0.00 H new ATOM 0 HD22 LEU A 87 0.742 6.982 0.106 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.648 7.931 1.309 1.00 0.00 H new ATOM 1375 N ILE A 88 4.992 3.513 2.368 1.00 0.00 N ATOM 1376 CA ILE A 88 6.386 3.669 2.818 1.00 0.00 C ATOM 1377 C ILE A 88 7.205 4.407 1.741 1.00 0.00 C ATOM 1378 O ILE A 88 6.661 4.843 0.712 1.00 0.00 O ATOM 1379 CB ILE A 88 7.028 2.267 3.149 1.00 0.00 C ATOM 1380 CG1 ILE A 88 7.097 1.365 1.876 1.00 0.00 C ATOM 1381 CG2 ILE A 88 6.244 1.564 4.291 1.00 0.00 C ATOM 1382 CD1 ILE A 88 7.736 0.018 2.091 1.00 0.00 C ATOM 0 H ILE A 88 4.892 2.884 1.571 1.00 0.00 H new ATOM 0 HA ILE A 88 6.395 4.263 3.732 1.00 0.00 H new ATOM 0 HB ILE A 88 8.050 2.433 3.490 1.00 0.00 H new ATOM 0 HG12 ILE A 88 6.086 1.216 1.498 1.00 0.00 H new ATOM 0 HG13 ILE A 88 7.651 1.895 1.102 1.00 0.00 H new ATOM 0 HG21 ILE A 88 6.702 0.598 4.505 1.00 0.00 H new ATOM 0 HG22 ILE A 88 6.271 2.185 5.186 1.00 0.00 H new ATOM 0 HG23 ILE A 88 5.209 1.415 3.984 1.00 0.00 H new ATOM 0 HD11 ILE A 88 7.739 -0.537 1.153 1.00 0.00 H new ATOM 0 HD12 ILE A 88 8.761 0.153 2.437 1.00 0.00 H new ATOM 0 HD13 ILE A 88 7.171 -0.538 2.839 1.00 0.00 H new ATOM 1394 N ARG A 89 8.510 4.567 1.993 1.00 0.00 N ATOM 1395 CA ARG A 89 9.433 5.276 1.094 1.00 0.00 C ATOM 1396 C ARG A 89 10.700 4.423 0.918 1.00 0.00 C ATOM 1397 O ARG A 89 11.551 4.367 1.815 1.00 0.00 O ATOM 1398 CB ARG A 89 9.780 6.689 1.663 1.00 0.00 C ATOM 1399 CG ARG A 89 8.576 7.655 1.804 1.00 0.00 C ATOM 1400 CD ARG A 89 8.937 8.977 2.502 1.00 0.00 C ATOM 1401 NE ARG A 89 7.757 9.849 2.703 1.00 0.00 N ATOM 1402 CZ ARG A 89 7.803 11.133 3.114 1.00 0.00 C ATOM 1403 NH1 ARG A 89 8.960 11.742 3.319 1.00 0.00 N ATOM 1404 NH2 ARG A 89 6.682 11.813 3.304 1.00 0.00 N ATOM 0 H ARG A 89 8.960 4.205 2.834 1.00 0.00 H new ATOM 0 HA ARG A 89 8.961 5.425 0.123 1.00 0.00 H new ATOM 0 HB2 ARG A 89 10.243 6.566 2.642 1.00 0.00 H new ATOM 0 HB3 ARG A 89 10.524 7.152 1.014 1.00 0.00 H new ATOM 0 HG2 ARG A 89 8.175 7.872 0.814 1.00 0.00 H new ATOM 0 HG3 ARG A 89 7.785 7.159 2.366 1.00 0.00 H new ATOM 0 HD2 ARG A 89 9.395 8.762 3.467 1.00 0.00 H new ATOM 0 HD3 ARG A 89 9.681 9.508 1.907 1.00 0.00 H new ATOM 0 HE ARG A 89 6.838 9.448 2.516 1.00 0.00 H new ATOM 0 HH11 ARG A 89 9.835 11.240 3.166 1.00 0.00 H new ATOM 0 HH12 ARG A 89 8.977 12.713 3.630 1.00 0.00 H new ATOM 0 HH21 ARG A 89 5.780 11.366 3.139 1.00 0.00 H new ATOM 0 HH22 ARG A 89 6.721 12.784 3.615 1.00 0.00 H new ATOM 1418 N GLU A 90 10.790 3.703 -0.224 1.00 0.00 N ATOM 1419 CA GLU A 90 11.963 2.870 -0.558 1.00 0.00 C ATOM 1420 C GLU A 90 12.597 3.377 -1.861 1.00 0.00 C ATOM 1421 O GLU A 90 13.738 3.858 -1.878 1.00 0.00 O ATOM 1422 CB GLU A 90 11.560 1.366 -0.725 1.00 0.00 C ATOM 1423 CG GLU A 90 10.848 0.725 0.487 1.00 0.00 C ATOM 1424 CD GLU A 90 11.633 0.771 1.813 1.00 0.00 C ATOM 1425 OE1 GLU A 90 12.863 0.544 1.809 1.00 0.00 O ATOM 1426 OE2 GLU A 90 11.015 0.990 2.879 1.00 0.00 O ATOM 0 H GLU A 90 10.057 3.684 -0.933 1.00 0.00 H new ATOM 0 HA GLU A 90 12.679 2.944 0.260 1.00 0.00 H new ATOM 0 HB2 GLU A 90 10.908 1.278 -1.594 1.00 0.00 H new ATOM 0 HB3 GLU A 90 12.460 0.790 -0.941 1.00 0.00 H new ATOM 0 HG2 GLU A 90 9.892 1.227 0.633 1.00 0.00 H new ATOM 0 HG3 GLU A 90 10.629 -0.316 0.250 1.00 0.00 H new ATOM 1433 N LEU A 91 11.824 3.261 -2.947 1.00 0.00 N ATOM 1434 CA LEU A 91 12.275 3.562 -4.323 1.00 0.00 C ATOM 1435 C LEU A 91 11.379 4.651 -4.944 1.00 0.00 C ATOM 1436 O LEU A 91 11.264 4.755 -6.170 1.00 0.00 O ATOM 1437 CB LEU A 91 12.223 2.259 -5.168 1.00 0.00 C ATOM 1438 CG LEU A 91 13.005 1.026 -4.606 1.00 0.00 C ATOM 1439 CD1 LEU A 91 12.824 -0.208 -5.507 1.00 0.00 C ATOM 1440 CD2 LEU A 91 14.508 1.348 -4.405 1.00 0.00 C ATOM 0 H LEU A 91 10.853 2.952 -2.901 1.00 0.00 H new ATOM 0 HA LEU A 91 13.299 3.935 -4.305 1.00 0.00 H new ATOM 0 HB2 LEU A 91 11.178 1.973 -5.289 1.00 0.00 H new ATOM 0 HB3 LEU A 91 12.609 2.483 -6.162 1.00 0.00 H new ATOM 0 HG LEU A 91 12.583 0.794 -3.628 1.00 0.00 H new ATOM 0 HD11 LEU A 91 13.379 -1.048 -5.090 1.00 0.00 H new ATOM 0 HD12 LEU A 91 11.766 -0.465 -5.564 1.00 0.00 H new ATOM 0 HD13 LEU A 91 13.198 0.013 -6.507 1.00 0.00 H new ATOM 0 HD21 LEU A 91 15.019 0.469 -4.014 1.00 0.00 H new ATOM 0 HD22 LEU A 91 14.951 1.630 -5.360 1.00 0.00 H new ATOM 0 HD23 LEU A 91 14.612 2.172 -3.699 1.00 0.00 H new