USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 449 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 ASN : amide:sc= -0.806 X(o=-0.76,f=-0.42) USER MOD Set 1.2: A 84 ASN : amide:sc= 0.0413 K(o=-0.76,f=-2.9!) USER MOD Single : A 23 THR OG1 : rot 32:sc= 0.138 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -178:sc= 0.143 (180deg=0.138) USER MOD Single : A 42 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.467 USER MOD Single : A 66 THR OG1 : rot -53:sc= 1.28 USER MOD Single : A 67 ASN : amide:sc= 0.477 K(o=0.48,f=-5.9!) USER MOD Single : A 70 ASN : amide:sc= -0.759 X(o=-0.76,f=-0.8) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.147 USER MOD Single : A 75 SER OG : rot 180:sc= -0.0339 USER MOD Single : A 79 GLN : amide:sc= -0.0207 K(o=-0.021,f=-0.89) USER MOD ----------------------------------------------------------------- ATOM 366 N THR A 23 -6.691 -5.018 -9.969 1.00 0.00 N ATOM 367 CA THR A 23 -6.082 -5.346 -8.669 1.00 0.00 C ATOM 368 C THR A 23 -5.473 -4.091 -8.015 1.00 0.00 C ATOM 369 O THR A 23 -4.496 -3.508 -8.515 1.00 0.00 O ATOM 370 CB THR A 23 -4.996 -6.461 -8.824 1.00 0.00 C ATOM 371 OG1 THR A 23 -5.570 -7.593 -9.500 1.00 0.00 O ATOM 372 CG2 THR A 23 -4.424 -6.915 -7.457 1.00 0.00 C ATOM 0 HA THR A 23 -6.871 -5.725 -8.019 1.00 0.00 H new ATOM 0 HB THR A 23 -4.173 -6.044 -9.404 1.00 0.00 H new ATOM 0 HG1 THR A 23 -6.252 -7.285 -10.133 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.674 -7.690 -7.616 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.966 -6.064 -6.954 1.00 0.00 H new ATOM 0 HG23 THR A 23 -5.230 -7.311 -6.839 1.00 0.00 H new ATOM 380 N ARG A 24 -6.093 -3.679 -6.901 1.00 0.00 N ATOM 381 CA ARG A 24 -5.716 -2.461 -6.154 1.00 0.00 C ATOM 382 C ARG A 24 -5.517 -2.767 -4.653 1.00 0.00 C ATOM 383 O ARG A 24 -5.748 -3.894 -4.197 1.00 0.00 O ATOM 384 CB ARG A 24 -6.797 -1.369 -6.381 1.00 0.00 C ATOM 385 CG ARG A 24 -7.003 -0.974 -7.860 1.00 0.00 C ATOM 386 CD ARG A 24 -8.139 0.036 -8.075 1.00 0.00 C ATOM 387 NE ARG A 24 -8.314 0.349 -9.504 1.00 0.00 N ATOM 388 CZ ARG A 24 -9.212 1.212 -10.005 1.00 0.00 C ATOM 389 NH1 ARG A 24 -10.017 1.900 -9.208 1.00 0.00 N ATOM 390 NH2 ARG A 24 -9.296 1.399 -11.315 1.00 0.00 N ATOM 0 H ARG A 24 -6.877 -4.182 -6.486 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.761 -2.090 -6.526 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.745 -1.724 -5.977 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.522 -0.479 -5.815 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -6.075 -0.552 -8.247 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.212 -1.872 -8.441 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.068 -0.367 -7.673 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -7.924 0.951 -7.524 1.00 0.00 H new ATOM 0 HE ARG A 24 -7.703 -0.129 -10.167 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.960 1.778 -8.197 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -10.694 2.552 -9.606 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.678 0.887 -11.944 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -9.979 2.055 -11.694 1.00 0.00 H new ATOM 404 N ILE A 25 -5.079 -1.742 -3.912 1.00 0.00 N ATOM 405 CA ILE A 25 -4.686 -1.859 -2.497 1.00 0.00 C ATOM 406 C ILE A 25 -5.077 -0.573 -1.752 1.00 0.00 C ATOM 407 O ILE A 25 -5.086 0.511 -2.339 1.00 0.00 O ATOM 408 CB ILE A 25 -3.127 -2.114 -2.373 1.00 0.00 C ATOM 409 CG1 ILE A 25 -2.666 -2.268 -0.881 1.00 0.00 C ATOM 410 CG2 ILE A 25 -2.319 -0.993 -3.077 1.00 0.00 C ATOM 411 CD1 ILE A 25 -1.197 -2.629 -0.689 1.00 0.00 C ATOM 0 H ILE A 25 -4.985 -0.795 -4.280 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.205 -2.707 -2.051 1.00 0.00 H new ATOM 0 HB ILE A 25 -2.924 -3.059 -2.877 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -2.865 -1.333 -0.358 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.277 -3.035 -0.406 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.253 -1.195 -2.976 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.584 -0.963 -4.134 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.552 -0.033 -2.617 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.979 -2.712 0.376 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -0.990 -3.581 -1.177 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.571 -1.852 -1.128 1.00 0.00 H new ATOM 423 N ASN A 26 -5.418 -0.694 -0.458 1.00 0.00 N ATOM 424 CA ASN A 26 -5.704 0.470 0.394 1.00 0.00 C ATOM 425 C ASN A 26 -4.402 0.916 1.064 1.00 0.00 C ATOM 426 O ASN A 26 -3.931 0.280 2.012 1.00 0.00 O ATOM 427 CB ASN A 26 -6.779 0.144 1.457 1.00 0.00 C ATOM 428 CG ASN A 26 -8.129 -0.197 0.837 1.00 0.00 C ATOM 429 OD1 ASN A 26 -8.958 0.682 0.588 1.00 0.00 O ATOM 430 ND2 ASN A 26 -8.357 -1.467 0.588 1.00 0.00 N ATOM 0 H ASN A 26 -5.502 -1.590 0.021 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.101 1.275 -0.224 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.441 -0.694 2.066 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -6.895 0.997 2.125 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -9.244 -1.754 0.175 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -7.647 -2.165 0.808 1.00 0.00 H new ATOM 437 N VAL A 27 -3.822 1.997 0.541 1.00 0.00 N ATOM 438 CA VAL A 27 -2.565 2.562 1.018 1.00 0.00 C ATOM 439 C VAL A 27 -2.863 3.554 2.143 1.00 0.00 C ATOM 440 O VAL A 27 -3.521 4.573 1.917 1.00 0.00 O ATOM 441 CB VAL A 27 -1.809 3.275 -0.161 1.00 0.00 C ATOM 442 CG1 VAL A 27 -0.489 3.926 0.305 1.00 0.00 C ATOM 443 CG2 VAL A 27 -1.565 2.282 -1.314 1.00 0.00 C ATOM 0 H VAL A 27 -4.223 2.513 -0.242 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.924 1.766 1.398 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.445 4.083 -0.524 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.001 4.407 -0.543 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.702 4.671 1.071 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.169 3.160 0.716 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.041 2.788 -2.125 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.961 1.449 -0.955 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.521 1.906 -1.679 1.00 0.00 H new ATOM 453 N VAL A 28 -2.430 3.214 3.359 1.00 0.00 N ATOM 454 CA VAL A 28 -2.592 4.075 4.531 1.00 0.00 C ATOM 455 C VAL A 28 -1.285 4.825 4.772 1.00 0.00 C ATOM 456 O VAL A 28 -0.296 4.222 5.193 1.00 0.00 O ATOM 457 CB VAL A 28 -2.972 3.252 5.822 1.00 0.00 C ATOM 458 CG1 VAL A 28 -3.299 4.178 7.015 1.00 0.00 C ATOM 459 CG2 VAL A 28 -4.126 2.266 5.546 1.00 0.00 C ATOM 0 H VAL A 28 -1.957 2.333 3.558 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.408 4.770 4.334 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.096 2.665 6.097 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.556 3.574 7.885 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.430 4.795 7.245 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.142 4.820 6.757 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.361 1.716 6.458 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.006 2.819 5.219 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.827 1.565 4.767 1.00 0.00 H new ATOM 469 N ASP A 29 -1.269 6.110 4.406 1.00 0.00 N ATOM 470 CA ASP A 29 -0.215 7.053 4.794 1.00 0.00 C ATOM 471 C ASP A 29 -0.064 7.033 6.330 1.00 0.00 C ATOM 472 O ASP A 29 -0.947 7.523 7.015 1.00 0.00 O ATOM 473 CB ASP A 29 -0.574 8.490 4.321 1.00 0.00 C ATOM 474 CG ASP A 29 -0.481 8.701 2.805 1.00 0.00 C ATOM 475 OD1 ASP A 29 -1.034 7.885 2.042 1.00 0.00 O ATOM 476 OD2 ASP A 29 0.164 9.682 2.365 1.00 0.00 O ATOM 0 H ASP A 29 -1.995 6.530 3.826 1.00 0.00 H new ATOM 0 HA ASP A 29 0.723 6.758 4.324 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -1.588 8.724 4.646 1.00 0.00 H new ATOM 0 HB3 ASP A 29 0.091 9.199 4.815 1.00 0.00 H new ATOM 481 N PRO A 30 1.038 6.450 6.897 1.00 0.00 N ATOM 482 CA PRO A 30 1.182 6.288 8.367 1.00 0.00 C ATOM 483 C PRO A 30 1.380 7.635 9.109 1.00 0.00 C ATOM 484 O PRO A 30 1.060 7.747 10.300 1.00 0.00 O ATOM 485 CB PRO A 30 2.421 5.361 8.499 1.00 0.00 C ATOM 486 CG PRO A 30 3.229 5.644 7.274 1.00 0.00 C ATOM 487 CD PRO A 30 2.218 5.897 6.174 1.00 0.00 C ATOM 0 HA PRO A 30 0.285 5.876 8.828 1.00 0.00 H new ATOM 0 HB2 PRO A 30 2.985 5.578 9.406 1.00 0.00 H new ATOM 0 HB3 PRO A 30 2.129 4.312 8.549 1.00 0.00 H new ATOM 0 HG2 PRO A 30 3.875 6.510 7.421 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.876 4.802 7.027 1.00 0.00 H new ATOM 0 HD2 PRO A 30 2.600 6.600 5.434 1.00 0.00 H new ATOM 0 HD3 PRO A 30 1.967 4.979 5.642 1.00 0.00 H new ATOM 495 N GLU A 31 1.888 8.643 8.386 1.00 0.00 N ATOM 496 CA GLU A 31 2.197 9.964 8.952 1.00 0.00 C ATOM 497 C GLU A 31 0.921 10.832 9.072 1.00 0.00 C ATOM 498 O GLU A 31 0.643 11.406 10.132 1.00 0.00 O ATOM 499 CB GLU A 31 3.255 10.659 8.057 1.00 0.00 C ATOM 500 CG GLU A 31 4.574 9.862 7.885 1.00 0.00 C ATOM 501 CD GLU A 31 5.540 10.483 6.859 1.00 0.00 C ATOM 502 OE1 GLU A 31 6.145 11.532 7.157 1.00 0.00 O ATOM 503 OE2 GLU A 31 5.688 9.931 5.742 1.00 0.00 O ATOM 0 H GLU A 31 2.097 8.565 7.391 1.00 0.00 H new ATOM 0 HA GLU A 31 2.597 9.838 9.958 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.821 10.835 7.073 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.488 11.635 8.482 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.076 9.794 8.850 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.336 8.844 7.578 1.00 0.00 H new ATOM 510 N THR A 32 0.157 10.926 7.972 1.00 0.00 N ATOM 511 CA THR A 32 -1.083 11.739 7.903 1.00 0.00 C ATOM 512 C THR A 32 -2.362 10.919 8.207 1.00 0.00 C ATOM 513 O THR A 32 -3.450 11.502 8.326 1.00 0.00 O ATOM 514 CB THR A 32 -1.209 12.409 6.498 1.00 0.00 C ATOM 515 OG1 THR A 32 -1.115 11.398 5.487 1.00 0.00 O ATOM 516 CG2 THR A 32 -0.126 13.485 6.266 1.00 0.00 C ATOM 0 H THR A 32 0.376 10.443 7.101 1.00 0.00 H new ATOM 0 HA THR A 32 -1.000 12.502 8.677 1.00 0.00 H new ATOM 0 HB THR A 32 -2.176 12.909 6.448 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.195 11.812 4.602 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.254 13.923 5.276 1.00 0.00 H new ATOM 0 HG22 THR A 32 -0.220 14.264 7.022 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.861 13.028 6.336 1.00 0.00 H new ATOM 524 N GLY A 33 -2.231 9.580 8.290 1.00 0.00 N ATOM 525 CA GLY A 33 -3.360 8.677 8.598 1.00 0.00 C ATOM 526 C GLY A 33 -4.280 8.393 7.405 1.00 0.00 C ATOM 527 O GLY A 33 -5.210 7.590 7.524 1.00 0.00 O ATOM 0 H GLY A 33 -1.345 9.095 8.146 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.964 7.732 8.970 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.951 9.114 9.403 1.00 0.00 H new ATOM 531 N LYS A 34 -4.001 9.037 6.254 1.00 0.00 N ATOM 532 CA LYS A 34 -4.897 9.043 5.077 1.00 0.00 C ATOM 533 C LYS A 34 -4.878 7.715 4.303 1.00 0.00 C ATOM 534 O LYS A 34 -3.821 7.251 3.885 1.00 0.00 O ATOM 535 CB LYS A 34 -4.502 10.221 4.154 1.00 0.00 C ATOM 536 CG LYS A 34 -4.675 11.601 4.816 1.00 0.00 C ATOM 537 CD LYS A 34 -6.161 11.939 5.097 1.00 0.00 C ATOM 538 CE LYS A 34 -6.340 13.212 5.937 1.00 0.00 C ATOM 539 NZ LYS A 34 -5.851 13.029 7.325 1.00 0.00 N ATOM 0 H LYS A 34 -3.143 9.571 6.113 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.920 9.168 5.433 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.463 10.101 3.848 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.107 10.182 3.248 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.117 11.625 5.752 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.247 12.367 4.170 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.686 12.059 4.149 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.627 11.100 5.615 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.802 14.036 5.468 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.394 13.489 5.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.020 13.898 7.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.358 12.237 7.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.832 12.823 7.310 1.00 0.00 H new ATOM 553 N VAL A 35 -6.078 7.124 4.110 1.00 0.00 N ATOM 554 CA VAL A 35 -6.258 5.870 3.346 1.00 0.00 C ATOM 555 C VAL A 35 -6.847 6.193 1.952 1.00 0.00 C ATOM 556 O VAL A 35 -7.783 6.998 1.849 1.00 0.00 O ATOM 557 CB VAL A 35 -7.226 4.867 4.094 1.00 0.00 C ATOM 558 CG1 VAL A 35 -7.223 3.472 3.422 1.00 0.00 C ATOM 559 CG2 VAL A 35 -6.889 4.763 5.603 1.00 0.00 C ATOM 0 H VAL A 35 -6.949 7.504 4.480 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.281 5.396 3.247 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.235 5.272 4.013 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.898 2.807 3.961 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.554 3.566 2.388 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.214 3.060 3.444 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.576 4.065 6.082 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.866 4.406 5.724 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.988 5.745 6.066 1.00 0.00 H new ATOM 569 N GLU A 36 -6.298 5.569 0.897 1.00 0.00 N ATOM 570 CA GLU A 36 -6.828 5.674 -0.481 1.00 0.00 C ATOM 571 C GLU A 36 -6.595 4.352 -1.218 1.00 0.00 C ATOM 572 O GLU A 36 -5.596 3.672 -0.979 1.00 0.00 O ATOM 573 CB GLU A 36 -6.145 6.846 -1.247 1.00 0.00 C ATOM 574 CG GLU A 36 -6.526 7.003 -2.744 1.00 0.00 C ATOM 575 CD GLU A 36 -8.003 7.384 -2.972 1.00 0.00 C ATOM 576 OE1 GLU A 36 -8.324 8.594 -2.953 1.00 0.00 O ATOM 577 OE2 GLU A 36 -8.848 6.481 -3.173 1.00 0.00 O ATOM 0 H GLU A 36 -5.472 4.975 0.971 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.897 5.879 -0.434 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.385 7.777 -0.733 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -5.065 6.715 -1.181 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.890 7.766 -3.193 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.317 6.067 -3.263 1.00 0.00 H new ATOM 584 N ILE A 37 -7.530 4.004 -2.112 1.00 0.00 N ATOM 585 CA ILE A 37 -7.401 2.838 -2.985 1.00 0.00 C ATOM 586 C ILE A 37 -6.446 3.199 -4.144 1.00 0.00 C ATOM 587 O ILE A 37 -6.832 3.924 -5.069 1.00 0.00 O ATOM 588 CB ILE A 37 -8.803 2.390 -3.556 1.00 0.00 C ATOM 589 CG1 ILE A 37 -9.847 2.213 -2.404 1.00 0.00 C ATOM 590 CG2 ILE A 37 -8.665 1.082 -4.383 1.00 0.00 C ATOM 591 CD1 ILE A 37 -11.267 1.940 -2.866 1.00 0.00 C ATOM 0 H ILE A 37 -8.396 4.525 -2.248 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.001 2.003 -2.410 1.00 0.00 H new ATOM 0 HB ILE A 37 -9.166 3.176 -4.218 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -9.524 1.392 -1.764 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -9.847 3.114 -1.791 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -9.642 0.790 -4.768 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -7.982 1.249 -5.216 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -8.274 0.288 -3.746 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -11.918 1.832 -1.998 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -11.616 2.770 -3.480 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -11.289 1.021 -3.452 1.00 0.00 H new ATOM 603 N ALA A 38 -5.186 2.758 -4.039 1.00 0.00 N ATOM 604 CA ALA A 38 -4.175 2.942 -5.093 1.00 0.00 C ATOM 605 C ALA A 38 -4.132 1.740 -6.039 1.00 0.00 C ATOM 606 O ALA A 38 -4.439 0.618 -5.643 1.00 0.00 O ATOM 607 CB ALA A 38 -2.800 3.170 -4.468 1.00 0.00 C ATOM 0 H ALA A 38 -4.836 2.262 -3.219 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.453 3.819 -5.677 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -2.060 3.305 -5.257 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -2.829 4.061 -3.841 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -2.529 2.307 -3.860 1.00 0.00 H new ATOM 613 N GLU A 39 -3.694 1.999 -7.277 1.00 0.00 N ATOM 614 CA GLU A 39 -3.612 0.992 -8.343 1.00 0.00 C ATOM 615 C GLU A 39 -2.202 0.394 -8.337 1.00 0.00 C ATOM 616 O GLU A 39 -1.220 1.148 -8.461 1.00 0.00 O ATOM 617 CB GLU A 39 -3.900 1.645 -9.715 1.00 0.00 C ATOM 618 CG GLU A 39 -5.221 2.433 -9.797 1.00 0.00 C ATOM 619 CD GLU A 39 -5.402 3.110 -11.164 1.00 0.00 C ATOM 620 OE1 GLU A 39 -4.752 4.152 -11.411 1.00 0.00 O ATOM 621 OE2 GLU A 39 -6.158 2.593 -12.010 1.00 0.00 O ATOM 0 H GLU A 39 -3.383 2.925 -7.571 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.352 0.210 -8.171 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.078 2.317 -9.960 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.912 0.865 -10.476 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.057 1.759 -9.612 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.242 3.189 -9.012 1.00 0.00 H new ATOM 628 N ILE A 40 -2.099 -0.939 -8.193 1.00 0.00 N ATOM 629 CA ILE A 40 -0.797 -1.619 -8.077 1.00 0.00 C ATOM 630 C ILE A 40 -0.106 -1.677 -9.460 1.00 0.00 C ATOM 631 O ILE A 40 -0.580 -2.354 -10.376 1.00 0.00 O ATOM 632 CB ILE A 40 -0.958 -3.066 -7.481 1.00 0.00 C ATOM 633 CG1 ILE A 40 -1.760 -3.009 -6.138 1.00 0.00 C ATOM 634 CG2 ILE A 40 0.429 -3.740 -7.274 1.00 0.00 C ATOM 635 CD1 ILE A 40 -2.053 -4.352 -5.501 1.00 0.00 C ATOM 0 H ILE A 40 -2.902 -1.567 -8.154 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.174 -1.046 -7.391 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.517 -3.674 -8.192 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.201 -2.402 -5.426 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.705 -2.498 -6.320 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.290 -4.739 -6.861 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.945 -3.812 -8.231 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.025 -3.142 -6.584 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.612 -4.202 -4.577 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.643 -4.959 -6.187 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.115 -4.862 -5.279 1.00 0.00 H new ATOM 647 N ARG A 41 1.001 -0.937 -9.585 1.00 0.00 N ATOM 648 CA ARG A 41 1.822 -0.878 -10.803 1.00 0.00 C ATOM 649 C ARG A 41 2.701 -2.129 -10.936 1.00 0.00 C ATOM 650 O ARG A 41 2.680 -2.810 -11.962 1.00 0.00 O ATOM 651 CB ARG A 41 2.725 0.379 -10.781 1.00 0.00 C ATOM 652 CG ARG A 41 1.989 1.730 -10.910 1.00 0.00 C ATOM 653 CD ARG A 41 2.972 2.918 -10.944 1.00 0.00 C ATOM 654 NE ARG A 41 4.060 2.692 -11.923 1.00 0.00 N ATOM 655 CZ ARG A 41 4.384 3.491 -12.946 1.00 0.00 C ATOM 656 NH1 ARG A 41 3.800 4.671 -13.117 1.00 0.00 N ATOM 657 NH2 ARG A 41 5.336 3.109 -13.782 1.00 0.00 N ATOM 0 H ARG A 41 1.359 -0.352 -8.830 1.00 0.00 H new ATOM 0 HA ARG A 41 1.147 -0.829 -11.657 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.291 0.381 -9.850 1.00 0.00 H new ATOM 0 HB3 ARG A 41 3.447 0.300 -11.593 1.00 0.00 H new ATOM 0 HG2 ARG A 41 1.387 1.730 -11.819 1.00 0.00 H new ATOM 0 HG3 ARG A 41 1.302 1.851 -10.072 1.00 0.00 H new ATOM 0 HD2 ARG A 41 2.434 3.830 -11.201 1.00 0.00 H new ATOM 0 HD3 ARG A 41 3.398 3.068 -9.952 1.00 0.00 H new ATOM 0 HE ARG A 41 4.616 1.845 -11.806 1.00 0.00 H new ATOM 0 HH11 ARG A 41 3.086 4.987 -12.460 1.00 0.00 H new ATOM 0 HH12 ARG A 41 4.065 5.262 -13.905 1.00 0.00 H new ATOM 0 HH21 ARG A 41 5.811 2.217 -13.641 1.00 0.00 H new ATOM 0 HH22 ARG A 41 5.595 3.706 -14.567 1.00 0.00 H new ATOM 671 N ASN A 42 3.474 -2.412 -9.879 1.00 0.00 N ATOM 672 CA ASN A 42 4.490 -3.483 -9.884 1.00 0.00 C ATOM 673 C ASN A 42 4.394 -4.306 -8.589 1.00 0.00 C ATOM 674 O ASN A 42 4.044 -3.767 -7.537 1.00 0.00 O ATOM 675 CB ASN A 42 5.911 -2.865 -10.027 1.00 0.00 C ATOM 676 CG ASN A 42 7.027 -3.911 -10.132 1.00 0.00 C ATOM 677 OD1 ASN A 42 6.831 -4.981 -10.701 1.00 0.00 O ATOM 678 ND2 ASN A 42 8.196 -3.618 -9.585 1.00 0.00 N ATOM 0 H ASN A 42 3.416 -1.907 -8.995 1.00 0.00 H new ATOM 0 HA ASN A 42 4.307 -4.143 -10.732 1.00 0.00 H new ATOM 0 HB2 ASN A 42 5.935 -2.230 -10.913 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.107 -2.222 -9.169 1.00 0.00 H new ATOM 0 HD21 ASN A 42 8.963 -4.289 -9.630 1.00 0.00 H new ATOM 0 HD22 ASN A 42 8.330 -2.721 -9.119 1.00 0.00 H new ATOM 685 N VAL A 43 4.682 -5.621 -8.678 1.00 0.00 N ATOM 686 CA VAL A 43 4.667 -6.544 -7.520 1.00 0.00 C ATOM 687 C VAL A 43 6.017 -7.255 -7.345 1.00 0.00 C ATOM 688 O VAL A 43 6.302 -7.761 -6.248 1.00 0.00 O ATOM 689 CB VAL A 43 3.532 -7.633 -7.661 1.00 0.00 C ATOM 690 CG1 VAL A 43 2.149 -6.982 -7.908 1.00 0.00 C ATOM 691 CG2 VAL A 43 3.859 -8.668 -8.766 1.00 0.00 C ATOM 0 H VAL A 43 4.932 -6.075 -9.556 1.00 0.00 H new ATOM 0 HA VAL A 43 4.469 -5.930 -6.641 1.00 0.00 H new ATOM 0 HB VAL A 43 3.488 -8.168 -6.712 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.392 -7.760 -8.000 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.899 -6.330 -7.071 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.181 -6.397 -8.827 1.00 0.00 H new ATOM 0 HG21 VAL A 43 3.053 -9.399 -8.830 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.963 -8.158 -9.723 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.792 -9.177 -8.523 1.00 0.00 H new ATOM 914 N ILE A 57 2.699 -13.014 -7.509 1.00 0.00 N ATOM 915 CA ILE A 57 2.239 -13.325 -6.156 1.00 0.00 C ATOM 916 C ILE A 57 2.632 -12.169 -5.228 1.00 0.00 C ATOM 917 O ILE A 57 3.806 -11.768 -5.147 1.00 0.00 O ATOM 918 CB ILE A 57 2.783 -14.714 -5.619 1.00 0.00 C ATOM 919 CG1 ILE A 57 2.061 -15.137 -4.294 1.00 0.00 C ATOM 920 CG2 ILE A 57 4.321 -14.714 -5.421 1.00 0.00 C ATOM 921 CD1 ILE A 57 0.557 -15.336 -4.425 1.00 0.00 C ATOM 0 HA ILE A 57 1.155 -13.432 -6.178 1.00 0.00 H new ATOM 0 HB ILE A 57 2.555 -15.450 -6.390 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.506 -16.064 -3.933 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.249 -14.377 -3.535 1.00 0.00 H new ATOM 0 HG21 ILE A 57 4.640 -15.689 -5.052 1.00 0.00 H new ATOM 0 HG22 ILE A 57 4.810 -14.508 -6.373 1.00 0.00 H new ATOM 0 HG23 ILE A 57 4.595 -13.945 -4.698 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.143 -15.627 -3.460 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.094 -14.405 -4.753 1.00 0.00 H new ATOM 0 HD13 ILE A 57 0.356 -16.118 -5.157 1.00 0.00 H new ATOM 933 N ILE A 58 1.623 -11.585 -4.598 1.00 0.00 N ATOM 934 CA ILE A 58 1.802 -10.565 -3.567 1.00 0.00 C ATOM 935 C ILE A 58 1.797 -11.282 -2.218 1.00 0.00 C ATOM 936 O ILE A 58 0.920 -12.118 -1.968 1.00 0.00 O ATOM 937 CB ILE A 58 0.659 -9.478 -3.664 1.00 0.00 C ATOM 938 CG1 ILE A 58 0.628 -8.877 -5.113 1.00 0.00 C ATOM 939 CG2 ILE A 58 0.845 -8.365 -2.599 1.00 0.00 C ATOM 940 CD1 ILE A 58 -0.444 -7.834 -5.374 1.00 0.00 C ATOM 0 H ILE A 58 0.646 -11.806 -4.788 1.00 0.00 H new ATOM 0 HA ILE A 58 2.744 -10.033 -3.696 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.298 -9.958 -3.460 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.600 -8.431 -5.322 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.493 -9.694 -5.822 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.042 -7.634 -2.693 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.819 -8.807 -1.603 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.805 -7.872 -2.752 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.372 -7.489 -6.405 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.427 -8.273 -5.206 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.303 -6.990 -4.698 1.00 0.00 H new ATOM 952 N THR A 59 2.799 -11.002 -1.375 1.00 0.00 N ATOM 953 CA THR A 59 2.965 -11.666 -0.067 1.00 0.00 C ATOM 954 C THR A 59 2.846 -10.638 1.061 1.00 0.00 C ATOM 955 O THR A 59 2.997 -9.431 0.828 1.00 0.00 O ATOM 956 CB THR A 59 4.346 -12.407 0.001 1.00 0.00 C ATOM 957 OG1 THR A 59 5.413 -11.464 -0.210 1.00 0.00 O ATOM 958 CG2 THR A 59 4.454 -13.539 -1.044 1.00 0.00 C ATOM 0 H THR A 59 3.520 -10.309 -1.577 1.00 0.00 H new ATOM 0 HA THR A 59 2.176 -12.408 0.054 1.00 0.00 H new ATOM 0 HB THR A 59 4.425 -12.857 0.990 1.00 0.00 H new ATOM 0 HG1 THR A 59 6.274 -11.929 -0.165 1.00 0.00 H new ATOM 0 HG21 THR A 59 5.427 -14.022 -0.958 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.668 -14.273 -0.868 1.00 0.00 H new ATOM 0 HG23 THR A 59 4.343 -13.122 -2.045 1.00 0.00 H new ATOM 966 N ARG A 60 2.546 -11.120 2.278 1.00 0.00 N ATOM 967 CA ARG A 60 2.343 -10.252 3.444 1.00 0.00 C ATOM 968 C ARG A 60 3.702 -9.711 3.945 1.00 0.00 C ATOM 969 O ARG A 60 4.561 -10.474 4.388 1.00 0.00 O ATOM 970 CB ARG A 60 1.583 -11.023 4.556 1.00 0.00 C ATOM 971 CG ARG A 60 1.134 -10.157 5.750 1.00 0.00 C ATOM 972 CD ARG A 60 0.288 -10.966 6.740 1.00 0.00 C ATOM 973 NE ARG A 60 -0.228 -10.143 7.844 1.00 0.00 N ATOM 974 CZ ARG A 60 -0.894 -10.618 8.913 1.00 0.00 C ATOM 975 NH1 ARG A 60 -1.132 -11.921 9.052 1.00 0.00 N ATOM 976 NH2 ARG A 60 -1.322 -9.783 9.844 1.00 0.00 N ATOM 0 H ARG A 60 2.439 -12.114 2.478 1.00 0.00 H new ATOM 0 HA ARG A 60 1.731 -9.396 3.159 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.704 -11.495 4.116 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.223 -11.824 4.926 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.010 -9.756 6.260 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.558 -9.305 5.388 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -0.548 -11.423 6.210 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.889 -11.779 7.147 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.069 -9.137 7.796 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.808 -12.577 8.342 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -1.638 -12.263 9.869 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -1.147 -8.782 9.751 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -1.827 -10.139 10.655 1.00 0.00 H new ATOM 990 N GLY A 61 3.863 -8.385 3.848 1.00 0.00 N ATOM 991 CA GLY A 61 5.104 -7.688 4.217 1.00 0.00 C ATOM 992 C GLY A 61 5.947 -7.308 3.010 1.00 0.00 C ATOM 993 O GLY A 61 7.064 -6.809 3.169 1.00 0.00 O ATOM 0 H GLY A 61 3.131 -7.761 3.509 1.00 0.00 H new ATOM 0 HA2 GLY A 61 4.856 -6.788 4.780 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.691 -8.326 4.878 1.00 0.00 H new ATOM 997 N ALA A 62 5.402 -7.535 1.800 1.00 0.00 N ATOM 998 CA ALA A 62 6.102 -7.244 0.532 1.00 0.00 C ATOM 999 C ALA A 62 6.034 -5.750 0.197 1.00 0.00 C ATOM 1000 O ALA A 62 5.197 -5.020 0.739 1.00 0.00 O ATOM 1001 CB ALA A 62 5.509 -8.079 -0.616 1.00 0.00 C ATOM 0 H ALA A 62 4.468 -7.924 1.673 1.00 0.00 H new ATOM 0 HA ALA A 62 7.150 -7.517 0.656 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.037 -7.851 -1.542 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.617 -9.139 -0.388 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.452 -7.839 -0.733 1.00 0.00 H new ATOM 1007 N VAL A 63 6.920 -5.304 -0.704 1.00 0.00 N ATOM 1008 CA VAL A 63 6.910 -3.925 -1.214 1.00 0.00 C ATOM 1009 C VAL A 63 6.302 -3.941 -2.625 1.00 0.00 C ATOM 1010 O VAL A 63 6.904 -4.469 -3.568 1.00 0.00 O ATOM 1011 CB VAL A 63 8.350 -3.292 -1.250 1.00 0.00 C ATOM 1012 CG1 VAL A 63 8.330 -1.841 -1.779 1.00 0.00 C ATOM 1013 CG2 VAL A 63 9.022 -3.357 0.135 1.00 0.00 C ATOM 0 H VAL A 63 7.660 -5.885 -1.098 1.00 0.00 H new ATOM 0 HA VAL A 63 6.315 -3.307 -0.542 1.00 0.00 H new ATOM 0 HB VAL A 63 8.941 -3.887 -1.946 1.00 0.00 H new ATOM 0 HG11 VAL A 63 9.345 -1.443 -1.787 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.927 -1.828 -2.792 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.704 -1.226 -1.132 1.00 0.00 H new ATOM 0 HG21 VAL A 63 10.016 -2.912 0.079 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.419 -2.808 0.858 1.00 0.00 H new ATOM 0 HG23 VAL A 63 9.108 -4.397 0.449 1.00 0.00 H new ATOM 1023 N VAL A 64 5.101 -3.374 -2.749 1.00 0.00 N ATOM 1024 CA VAL A 64 4.415 -3.227 -4.035 1.00 0.00 C ATOM 1025 C VAL A 64 4.485 -1.757 -4.469 1.00 0.00 C ATOM 1026 O VAL A 64 4.395 -0.852 -3.633 1.00 0.00 O ATOM 1027 CB VAL A 64 2.914 -3.719 -3.976 1.00 0.00 C ATOM 1028 CG1 VAL A 64 2.843 -5.241 -3.707 1.00 0.00 C ATOM 1029 CG2 VAL A 64 2.079 -2.933 -2.930 1.00 0.00 C ATOM 0 H VAL A 64 4.575 -3.002 -1.958 1.00 0.00 H new ATOM 0 HA VAL A 64 4.919 -3.859 -4.766 1.00 0.00 H new ATOM 0 HB VAL A 64 2.473 -3.519 -4.953 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.800 -5.556 -3.671 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.356 -5.776 -4.506 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.323 -5.465 -2.754 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.055 -3.307 -2.926 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.517 -3.065 -1.941 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.077 -1.874 -3.187 1.00 0.00 H new ATOM 1039 N GLU A 65 4.652 -1.526 -5.769 1.00 0.00 N ATOM 1040 CA GLU A 65 4.662 -0.172 -6.336 1.00 0.00 C ATOM 1041 C GLU A 65 3.233 0.157 -6.763 1.00 0.00 C ATOM 1042 O GLU A 65 2.559 -0.690 -7.352 1.00 0.00 O ATOM 1043 CB GLU A 65 5.629 -0.078 -7.538 1.00 0.00 C ATOM 1044 CG GLU A 65 5.589 1.276 -8.277 1.00 0.00 C ATOM 1045 CD GLU A 65 6.600 1.362 -9.425 1.00 0.00 C ATOM 1046 OE1 GLU A 65 7.755 1.768 -9.183 1.00 0.00 O ATOM 1047 OE2 GLU A 65 6.252 1.000 -10.577 1.00 0.00 O ATOM 0 H GLU A 65 4.784 -2.265 -6.459 1.00 0.00 H new ATOM 0 HA GLU A 65 5.013 0.544 -5.593 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.645 -0.258 -7.187 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.390 -0.872 -8.245 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.586 1.439 -8.671 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.786 2.078 -7.566 1.00 0.00 H new ATOM 1054 N THR A 66 2.775 1.362 -6.430 1.00 0.00 N ATOM 1055 CA THR A 66 1.440 1.861 -6.791 1.00 0.00 C ATOM 1056 C THR A 66 1.584 3.250 -7.422 1.00 0.00 C ATOM 1057 O THR A 66 2.705 3.765 -7.552 1.00 0.00 O ATOM 1058 CB THR A 66 0.493 1.937 -5.538 1.00 0.00 C ATOM 1059 OG1 THR A 66 0.971 2.922 -4.601 1.00 0.00 O ATOM 1060 CG2 THR A 66 0.368 0.581 -4.818 1.00 0.00 C ATOM 0 H THR A 66 3.325 2.033 -5.894 1.00 0.00 H new ATOM 0 HA THR A 66 0.990 1.168 -7.501 1.00 0.00 H new ATOM 0 HB THR A 66 -0.492 2.220 -5.909 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.908 2.737 -4.382 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.296 0.685 -3.960 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.040 -0.160 -5.505 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.352 0.257 -4.478 1.00 0.00 H new ATOM 1068 N ASN A 67 0.454 3.860 -7.815 1.00 0.00 N ATOM 1069 CA ASN A 67 0.438 5.243 -8.340 1.00 0.00 C ATOM 1070 C ASN A 67 0.589 6.282 -7.198 1.00 0.00 C ATOM 1071 O ASN A 67 0.620 7.490 -7.457 1.00 0.00 O ATOM 1072 CB ASN A 67 -0.845 5.496 -9.180 1.00 0.00 C ATOM 1073 CG ASN A 67 -2.163 5.362 -8.400 1.00 0.00 C ATOM 1074 OD1 ASN A 67 -2.254 4.623 -7.423 1.00 0.00 O ATOM 1075 ND2 ASN A 67 -3.196 6.054 -8.848 1.00 0.00 N ATOM 0 H ASN A 67 -0.465 3.419 -7.780 1.00 0.00 H new ATOM 0 HA ASN A 67 1.297 5.366 -8.999 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -0.792 6.498 -9.606 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -0.860 4.795 -10.015 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -4.099 5.982 -8.380 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -3.090 6.660 -9.662 1.00 0.00 H new ATOM 1082 N LEU A 68 0.678 5.799 -5.935 1.00 0.00 N ATOM 1083 CA LEU A 68 1.004 6.633 -4.759 1.00 0.00 C ATOM 1084 C LEU A 68 2.448 6.364 -4.269 1.00 0.00 C ATOM 1085 O LEU A 68 2.961 7.099 -3.417 1.00 0.00 O ATOM 1086 CB LEU A 68 -0.017 6.375 -3.616 1.00 0.00 C ATOM 1087 CG LEU A 68 -1.511 6.741 -3.932 1.00 0.00 C ATOM 1088 CD1 LEU A 68 -2.427 6.494 -2.705 1.00 0.00 C ATOM 1089 CD2 LEU A 68 -1.648 8.203 -4.435 1.00 0.00 C ATOM 0 H LEU A 68 0.525 4.817 -5.706 1.00 0.00 H new ATOM 0 HA LEU A 68 0.940 7.680 -5.056 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.029 5.320 -3.346 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.298 6.942 -2.740 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.838 6.081 -4.735 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.454 6.758 -2.959 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.382 5.442 -2.423 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.090 7.108 -1.870 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.696 8.419 -4.643 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.281 8.887 -3.670 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.063 8.331 -5.346 1.00 0.00 H new ATOM 1101 N GLY A 69 3.104 5.323 -4.827 1.00 0.00 N ATOM 1102 CA GLY A 69 4.483 4.954 -4.454 1.00 0.00 C ATOM 1103 C GLY A 69 4.594 3.532 -3.910 1.00 0.00 C ATOM 1104 O GLY A 69 3.674 2.729 -4.063 1.00 0.00 O ATOM 0 H GLY A 69 2.695 4.721 -5.542 1.00 0.00 H new ATOM 0 HA2 GLY A 69 5.129 5.055 -5.326 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.850 5.654 -3.703 1.00 0.00 H new ATOM 1108 N ASN A 70 5.739 3.213 -3.283 1.00 0.00 N ATOM 1109 CA ASN A 70 5.993 1.878 -2.699 1.00 0.00 C ATOM 1110 C ASN A 70 5.258 1.722 -1.353 1.00 0.00 C ATOM 1111 O ASN A 70 5.209 2.661 -0.548 1.00 0.00 O ATOM 1112 CB ASN A 70 7.510 1.633 -2.532 1.00 0.00 C ATOM 1113 CG ASN A 70 8.250 1.567 -3.877 1.00 0.00 C ATOM 1114 OD1 ASN A 70 8.744 2.572 -4.374 1.00 0.00 O ATOM 1115 ND2 ASN A 70 8.318 0.389 -4.482 1.00 0.00 N ATOM 0 H ASN A 70 6.513 3.867 -3.165 1.00 0.00 H new ATOM 0 HA ASN A 70 5.604 1.126 -3.385 1.00 0.00 H new ATOM 0 HB2 ASN A 70 7.938 2.430 -1.925 1.00 0.00 H new ATOM 0 HB3 ASN A 70 7.666 0.700 -1.990 1.00 0.00 H new ATOM 0 HD21 ASN A 70 8.790 0.305 -5.382 1.00 0.00 H new ATOM 0 HD22 ASN A 70 7.899 -0.433 -4.047 1.00 0.00 H new ATOM 1122 N VAL A 71 4.653 0.537 -1.142 1.00 0.00 N ATOM 1123 CA VAL A 71 3.758 0.239 -0.003 1.00 0.00 C ATOM 1124 C VAL A 71 4.124 -1.127 0.634 1.00 0.00 C ATOM 1125 O VAL A 71 4.474 -2.065 -0.090 1.00 0.00 O ATOM 1126 CB VAL A 71 2.263 0.193 -0.530 1.00 0.00 C ATOM 1127 CG1 VAL A 71 1.243 -0.086 0.589 1.00 0.00 C ATOM 1128 CG2 VAL A 71 1.895 1.485 -1.296 1.00 0.00 C ATOM 0 H VAL A 71 4.774 -0.257 -1.771 1.00 0.00 H new ATOM 0 HA VAL A 71 3.869 1.015 0.755 1.00 0.00 H new ATOM 0 HB VAL A 71 2.211 -0.647 -1.223 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.238 -0.106 0.168 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.463 -1.049 1.050 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.306 0.699 1.342 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.864 1.421 -1.644 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.002 2.344 -0.633 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.560 1.602 -2.152 1.00 0.00 H new ATOM 1138 N ARG A 72 4.040 -1.227 1.988 1.00 0.00 N ATOM 1139 CA ARG A 72 4.164 -2.522 2.705 1.00 0.00 C ATOM 1140 C ARG A 72 2.794 -3.182 2.722 1.00 0.00 C ATOM 1141 O ARG A 72 1.819 -2.523 3.062 1.00 0.00 O ATOM 1142 CB ARG A 72 4.643 -2.379 4.189 1.00 0.00 C ATOM 1143 CG ARG A 72 6.146 -2.136 4.392 1.00 0.00 C ATOM 1144 CD ARG A 72 7.033 -3.271 3.851 1.00 0.00 C ATOM 1145 NE ARG A 72 8.466 -2.938 3.975 1.00 0.00 N ATOM 1146 CZ ARG A 72 9.480 -3.720 3.568 1.00 0.00 C ATOM 1147 NH1 ARG A 72 9.250 -4.932 3.081 1.00 0.00 N ATOM 1148 NH2 ARG A 72 10.733 -3.285 3.650 1.00 0.00 N ATOM 0 H ARG A 72 3.887 -0.427 2.602 1.00 0.00 H new ATOM 0 HA ARG A 72 4.916 -3.109 2.177 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.097 -1.555 4.648 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.366 -3.285 4.728 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.424 -1.204 3.901 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.344 -2.007 5.456 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.823 -4.191 4.396 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.790 -3.458 2.805 1.00 0.00 H new ATOM 0 HE ARG A 72 8.705 -2.044 4.403 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.294 -5.281 3.012 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.029 -5.515 2.776 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.927 -2.355 4.023 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.501 -3.881 3.340 1.00 0.00 H new ATOM 1162 N VAL A 73 2.729 -4.466 2.375 1.00 0.00 N ATOM 1163 CA VAL A 73 1.498 -5.256 2.496 1.00 0.00 C ATOM 1164 C VAL A 73 1.306 -5.629 3.983 1.00 0.00 C ATOM 1165 O VAL A 73 2.030 -6.465 4.520 1.00 0.00 O ATOM 1166 CB VAL A 73 1.559 -6.531 1.582 1.00 0.00 C ATOM 1167 CG1 VAL A 73 0.236 -7.327 1.628 1.00 0.00 C ATOM 1168 CG2 VAL A 73 1.929 -6.142 0.129 1.00 0.00 C ATOM 0 H VAL A 73 3.522 -4.989 2.004 1.00 0.00 H new ATOM 0 HA VAL A 73 0.643 -4.671 2.158 1.00 0.00 H new ATOM 0 HB VAL A 73 2.341 -7.184 1.970 1.00 0.00 H new ATOM 0 HG11 VAL A 73 0.315 -8.202 0.983 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.039 -7.647 2.651 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.581 -6.694 1.282 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.966 -7.039 -0.489 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.178 -5.459 -0.267 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.904 -5.654 0.120 1.00 0.00 H new ATOM 1178 N THR A 74 0.345 -4.981 4.652 1.00 0.00 N ATOM 1179 CA THR A 74 0.177 -5.092 6.117 1.00 0.00 C ATOM 1180 C THR A 74 -0.874 -6.147 6.460 1.00 0.00 C ATOM 1181 O THR A 74 -0.792 -6.836 7.492 1.00 0.00 O ATOM 1182 CB THR A 74 -0.227 -3.718 6.727 1.00 0.00 C ATOM 1183 OG1 THR A 74 -1.457 -3.261 6.131 1.00 0.00 O ATOM 1184 CG2 THR A 74 0.869 -2.663 6.511 1.00 0.00 C ATOM 0 H THR A 74 -0.336 -4.368 4.203 1.00 0.00 H new ATOM 0 HA THR A 74 1.131 -5.398 6.546 1.00 0.00 H new ATOM 0 HB THR A 74 -0.362 -3.855 7.800 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.707 -2.397 6.519 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.554 -1.716 6.949 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.792 -2.994 6.987 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.040 -2.529 5.443 1.00 0.00 H new ATOM 1192 N SER A 75 -1.868 -6.263 5.572 1.00 0.00 N ATOM 1193 CA SER A 75 -2.916 -7.282 5.663 1.00 0.00 C ATOM 1194 C SER A 75 -2.485 -8.514 4.852 1.00 0.00 C ATOM 1195 O SER A 75 -1.433 -8.497 4.198 1.00 0.00 O ATOM 1196 CB SER A 75 -4.247 -6.705 5.126 1.00 0.00 C ATOM 1197 OG SER A 75 -5.334 -7.590 5.360 1.00 0.00 O ATOM 0 H SER A 75 -1.967 -5.647 4.765 1.00 0.00 H new ATOM 0 HA SER A 75 -3.066 -7.578 6.701 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.448 -5.747 5.605 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.156 -6.514 4.057 1.00 0.00 H new ATOM 0 HG SER A 75 -6.159 -7.194 5.010 1.00 0.00 H new ATOM 1203 N ARG A 76 -3.283 -9.582 4.928 1.00 0.00 N ATOM 1204 CA ARG A 76 -3.118 -10.762 4.076 1.00 0.00 C ATOM 1205 C ARG A 76 -3.644 -10.425 2.662 1.00 0.00 C ATOM 1206 O ARG A 76 -4.832 -10.129 2.506 1.00 0.00 O ATOM 1207 CB ARG A 76 -3.853 -11.969 4.712 1.00 0.00 C ATOM 1208 CG ARG A 76 -3.224 -12.408 6.056 1.00 0.00 C ATOM 1209 CD ARG A 76 -4.024 -13.497 6.781 1.00 0.00 C ATOM 1210 NE ARG A 76 -4.073 -14.762 6.033 1.00 0.00 N ATOM 1211 CZ ARG A 76 -4.916 -15.768 6.293 1.00 0.00 C ATOM 1212 NH1 ARG A 76 -5.858 -15.648 7.227 1.00 0.00 N ATOM 1213 NH2 ARG A 76 -4.826 -16.889 5.600 1.00 0.00 N ATOM 0 H ARG A 76 -4.062 -9.653 5.582 1.00 0.00 H new ATOM 0 HA ARG A 76 -2.068 -11.039 3.988 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.899 -11.709 4.873 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -3.836 -12.808 4.016 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.213 -12.773 5.873 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -3.136 -11.539 6.708 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.580 -13.676 7.760 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -5.040 -13.142 6.952 1.00 0.00 H new ATOM 0 HE ARG A 76 -3.417 -14.881 5.261 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -5.944 -14.780 7.756 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -6.493 -16.424 7.413 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -4.117 -16.983 4.872 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -5.465 -17.660 5.792 1.00 0.00 H new ATOM 1227 N PRO A 77 -2.746 -10.405 1.623 1.00 0.00 N ATOM 1228 CA PRO A 77 -3.086 -9.931 0.257 1.00 0.00 C ATOM 1229 C PRO A 77 -4.184 -10.781 -0.424 1.00 0.00 C ATOM 1230 O PRO A 77 -3.972 -11.961 -0.739 1.00 0.00 O ATOM 1231 CB PRO A 77 -1.736 -10.008 -0.498 1.00 0.00 C ATOM 1232 CG PRO A 77 -0.939 -11.021 0.262 1.00 0.00 C ATOM 1233 CD PRO A 77 -1.330 -10.846 1.704 1.00 0.00 C ATOM 0 HA PRO A 77 -3.513 -8.928 0.266 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -1.878 -10.312 -1.535 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -1.235 -9.040 -0.515 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -1.158 -12.031 -0.083 1.00 0.00 H new ATOM 0 HG3 PRO A 77 0.130 -10.862 0.124 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -1.230 -11.776 2.264 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -0.706 -10.105 2.203 1.00 0.00 H new ATOM 1241 N GLY A 78 -5.356 -10.150 -0.634 1.00 0.00 N ATOM 1242 CA GLY A 78 -6.506 -10.808 -1.245 1.00 0.00 C ATOM 1243 C GLY A 78 -7.254 -11.691 -0.260 1.00 0.00 C ATOM 1244 O GLY A 78 -7.728 -12.768 -0.626 1.00 0.00 O ATOM 0 H GLY A 78 -5.522 -9.175 -0.383 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -7.185 -10.054 -1.642 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -6.171 -11.411 -2.089 1.00 0.00 H new ATOM 1248 N GLN A 79 -7.339 -11.230 1.005 1.00 0.00 N ATOM 1249 CA GLN A 79 -8.043 -11.952 2.086 1.00 0.00 C ATOM 1250 C GLN A 79 -9.563 -11.903 1.847 1.00 0.00 C ATOM 1251 O GLN A 79 -10.249 -12.929 1.881 1.00 0.00 O ATOM 1252 CB GLN A 79 -7.668 -11.333 3.466 1.00 0.00 C ATOM 1253 CG GLN A 79 -8.264 -12.056 4.699 1.00 0.00 C ATOM 1254 CD GLN A 79 -7.806 -13.515 4.851 1.00 0.00 C ATOM 1255 OE1 GLN A 79 -6.704 -13.879 4.455 1.00 0.00 O ATOM 1256 NE2 GLN A 79 -8.649 -14.358 5.420 1.00 0.00 N ATOM 0 H GLN A 79 -6.923 -10.349 1.306 1.00 0.00 H new ATOM 0 HA GLN A 79 -7.735 -12.998 2.087 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.582 -11.326 3.559 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -7.996 -10.294 3.481 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -7.990 -11.504 5.598 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -9.352 -12.033 4.630 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.560 -14.030 5.741 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -8.389 -15.337 5.539 1.00 0.00 H new ATOM 1265 N ASP A 80 -10.075 -10.689 1.596 1.00 0.00 N ATOM 1266 CA ASP A 80 -11.496 -10.450 1.250 1.00 0.00 C ATOM 1267 C ASP A 80 -11.550 -9.763 -0.121 1.00 0.00 C ATOM 1268 O ASP A 80 -12.080 -8.652 -0.261 1.00 0.00 O ATOM 1269 CB ASP A 80 -12.187 -9.576 2.343 1.00 0.00 C ATOM 1270 CG ASP A 80 -12.230 -10.248 3.723 1.00 0.00 C ATOM 1271 OD1 ASP A 80 -11.263 -10.106 4.505 1.00 0.00 O ATOM 1272 OD2 ASP A 80 -13.235 -10.923 4.037 1.00 0.00 O ATOM 0 H ASP A 80 -9.516 -9.836 1.626 1.00 0.00 H new ATOM 0 HA ASP A 80 -12.034 -11.397 1.205 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -11.659 -8.626 2.426 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -13.205 -9.348 2.026 1.00 0.00 H new ATOM 1277 N GLY A 81 -10.938 -10.414 -1.132 1.00 0.00 N ATOM 1278 CA GLY A 81 -10.779 -9.834 -2.480 1.00 0.00 C ATOM 1279 C GLY A 81 -9.841 -8.618 -2.569 1.00 0.00 C ATOM 1280 O GLY A 81 -9.398 -8.260 -3.663 1.00 0.00 O ATOM 0 H GLY A 81 -10.543 -11.350 -1.037 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -10.405 -10.609 -3.149 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -11.762 -9.541 -2.849 1.00 0.00 H new ATOM 1284 N VAL A 82 -9.540 -7.985 -1.419 1.00 0.00 N ATOM 1285 CA VAL A 82 -8.810 -6.723 -1.343 1.00 0.00 C ATOM 1286 C VAL A 82 -7.512 -6.892 -0.536 1.00 0.00 C ATOM 1287 O VAL A 82 -7.401 -7.778 0.328 1.00 0.00 O ATOM 1288 CB VAL A 82 -9.724 -5.611 -0.695 1.00 0.00 C ATOM 1289 CG1 VAL A 82 -10.117 -5.948 0.766 1.00 0.00 C ATOM 1290 CG2 VAL A 82 -9.077 -4.213 -0.779 1.00 0.00 C ATOM 0 H VAL A 82 -9.806 -8.350 -0.505 1.00 0.00 H new ATOM 0 HA VAL A 82 -8.541 -6.414 -2.353 1.00 0.00 H new ATOM 0 HB VAL A 82 -10.641 -5.592 -1.283 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -10.745 -5.152 1.166 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -10.666 -6.889 0.787 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -9.216 -6.039 1.373 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -9.739 -3.478 -0.322 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -8.124 -4.221 -0.251 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -8.911 -3.951 -1.824 1.00 0.00 H new ATOM 1300 N ILE A 83 -6.521 -6.053 -0.876 1.00 0.00 N ATOM 1301 CA ILE A 83 -5.244 -5.954 -0.157 1.00 0.00 C ATOM 1302 C ILE A 83 -5.208 -4.613 0.598 1.00 0.00 C ATOM 1303 O ILE A 83 -5.731 -3.609 0.101 1.00 0.00 O ATOM 1304 CB ILE A 83 -4.048 -6.024 -1.186 1.00 0.00 C ATOM 1305 CG1 ILE A 83 -4.254 -7.224 -2.169 1.00 0.00 C ATOM 1306 CG2 ILE A 83 -2.681 -6.130 -0.460 1.00 0.00 C ATOM 1307 CD1 ILE A 83 -3.236 -7.336 -3.280 1.00 0.00 C ATOM 0 H ILE A 83 -6.587 -5.416 -1.670 1.00 0.00 H new ATOM 0 HA ILE A 83 -5.148 -6.779 0.549 1.00 0.00 H new ATOM 0 HB ILE A 83 -4.039 -5.098 -1.761 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.241 -8.149 -1.593 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.245 -7.140 -2.615 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.880 -6.176 -1.198 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.538 -5.257 0.176 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -2.663 -7.032 0.152 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -3.470 -8.199 -3.903 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -3.261 -6.432 -3.889 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -2.241 -7.457 -2.851 1.00 0.00 H new ATOM 1319 N ASN A 84 -4.620 -4.597 1.804 1.00 0.00 N ATOM 1320 CA ASN A 84 -4.376 -3.349 2.566 1.00 0.00 C ATOM 1321 C ASN A 84 -2.889 -3.237 2.907 1.00 0.00 C ATOM 1322 O ASN A 84 -2.187 -4.255 3.044 1.00 0.00 O ATOM 1323 CB ASN A 84 -5.237 -3.280 3.863 1.00 0.00 C ATOM 1324 CG ASN A 84 -6.730 -2.998 3.625 1.00 0.00 C ATOM 1325 OD1 ASN A 84 -7.317 -3.413 2.627 1.00 0.00 O ATOM 1326 ND2 ASN A 84 -7.353 -2.276 4.547 1.00 0.00 N ATOM 0 H ASN A 84 -4.300 -5.440 2.281 1.00 0.00 H new ATOM 0 HA ASN A 84 -4.672 -2.509 1.938 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -5.140 -4.224 4.399 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -4.833 -2.503 4.511 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -8.342 -2.053 4.438 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -6.843 -1.944 5.365 1.00 0.00 H new ATOM 1333 N GLY A 85 -2.427 -1.984 3.060 1.00 0.00 N ATOM 1334 CA GLY A 85 -1.015 -1.697 3.291 1.00 0.00 C ATOM 1335 C GLY A 85 -0.774 -0.290 3.825 1.00 0.00 C ATOM 1336 O GLY A 85 -1.724 0.440 4.091 1.00 0.00 O ATOM 0 H GLY A 85 -3.021 -1.155 3.026 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.613 -2.422 3.999 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.466 -1.825 2.358 1.00 0.00 H new ATOM 1340 N VAL A 86 0.516 0.080 4.001 1.00 0.00 N ATOM 1341 CA VAL A 86 0.921 1.430 4.473 1.00 0.00 C ATOM 1342 C VAL A 86 2.005 2.013 3.551 1.00 0.00 C ATOM 1343 O VAL A 86 2.860 1.277 3.047 1.00 0.00 O ATOM 1344 CB VAL A 86 1.445 1.434 5.966 1.00 0.00 C ATOM 1345 CG1 VAL A 86 0.328 1.036 6.960 1.00 0.00 C ATOM 1346 CG2 VAL A 86 2.698 0.537 6.129 1.00 0.00 C ATOM 0 H VAL A 86 1.303 -0.543 3.822 1.00 0.00 H new ATOM 0 HA VAL A 86 0.024 2.049 4.442 1.00 0.00 H new ATOM 0 HB VAL A 86 1.743 2.455 6.205 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.723 1.049 7.976 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.497 1.744 6.882 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.030 0.034 6.723 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.031 0.563 7.166 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.450 -0.488 5.853 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.495 0.904 5.482 1.00 0.00 H new ATOM 1356 N LEU A 87 1.954 3.340 3.339 1.00 0.00 N ATOM 1357 CA LEU A 87 2.899 4.037 2.458 1.00 0.00 C ATOM 1358 C LEU A 87 4.294 4.113 3.111 1.00 0.00 C ATOM 1359 O LEU A 87 4.434 4.560 4.249 1.00 0.00 O ATOM 1360 CB LEU A 87 2.372 5.456 2.132 1.00 0.00 C ATOM 1361 CG LEU A 87 3.156 6.245 1.033 1.00 0.00 C ATOM 1362 CD1 LEU A 87 3.125 5.503 -0.327 1.00 0.00 C ATOM 1363 CD2 LEU A 87 2.604 7.676 0.898 1.00 0.00 C ATOM 0 H LEU A 87 1.262 3.952 3.771 1.00 0.00 H new ATOM 0 HA LEU A 87 2.990 3.476 1.528 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.332 5.372 1.818 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.381 6.045 3.049 1.00 0.00 H new ATOM 0 HG LEU A 87 4.199 6.309 1.344 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.679 6.079 -1.068 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.582 4.520 -0.216 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.092 5.388 -0.655 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.162 8.210 0.129 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.551 7.635 0.620 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.708 8.197 1.850 1.00 0.00 H new ATOM 1375 N ILE A 88 5.315 3.657 2.376 1.00 0.00 N ATOM 1376 CA ILE A 88 6.720 3.614 2.848 1.00 0.00 C ATOM 1377 C ILE A 88 7.636 4.356 1.864 1.00 0.00 C ATOM 1378 O ILE A 88 7.201 4.743 0.776 1.00 0.00 O ATOM 1379 CB ILE A 88 7.204 2.123 3.018 1.00 0.00 C ATOM 1380 CG1 ILE A 88 7.080 1.358 1.658 1.00 0.00 C ATOM 1381 CG2 ILE A 88 6.423 1.413 4.151 1.00 0.00 C ATOM 1382 CD1 ILE A 88 7.354 -0.131 1.697 1.00 0.00 C ATOM 0 H ILE A 88 5.197 3.302 1.427 1.00 0.00 H new ATOM 0 HA ILE A 88 6.770 4.108 3.818 1.00 0.00 H new ATOM 0 HB ILE A 88 8.255 2.125 3.307 1.00 0.00 H new ATOM 0 HG12 ILE A 88 6.073 1.510 1.271 1.00 0.00 H new ATOM 0 HG13 ILE A 88 7.768 1.814 0.945 1.00 0.00 H new ATOM 0 HG21 ILE A 88 6.776 0.386 4.248 1.00 0.00 H new ATOM 0 HG22 ILE A 88 6.584 1.942 5.090 1.00 0.00 H new ATOM 0 HG23 ILE A 88 5.359 1.410 3.913 1.00 0.00 H new ATOM 0 HD11 ILE A 88 7.237 -0.549 0.697 1.00 0.00 H new ATOM 0 HD12 ILE A 88 8.372 -0.305 2.046 1.00 0.00 H new ATOM 0 HD13 ILE A 88 6.651 -0.613 2.376 1.00 0.00 H new ATOM 1394 N ARG A 89 8.906 4.551 2.257 1.00 0.00 N ATOM 1395 CA ARG A 89 9.908 5.260 1.442 1.00 0.00 C ATOM 1396 C ARG A 89 11.098 4.316 1.163 1.00 0.00 C ATOM 1397 O ARG A 89 12.181 4.463 1.753 1.00 0.00 O ATOM 1398 CB ARG A 89 10.371 6.562 2.161 1.00 0.00 C ATOM 1399 CG ARG A 89 9.238 7.558 2.521 1.00 0.00 C ATOM 1400 CD ARG A 89 9.763 8.792 3.276 1.00 0.00 C ATOM 1401 NE ARG A 89 8.678 9.668 3.747 1.00 0.00 N ATOM 1402 CZ ARG A 89 8.836 10.940 4.183 1.00 0.00 C ATOM 1403 NH1 ARG A 89 10.034 11.512 4.199 1.00 0.00 N ATOM 1404 NH2 ARG A 89 7.793 11.625 4.625 1.00 0.00 N ATOM 0 H ARG A 89 9.268 4.220 3.151 1.00 0.00 H new ATOM 0 HA ARG A 89 9.465 5.553 0.490 1.00 0.00 H new ATOM 0 HB2 ARG A 89 10.894 6.286 3.077 1.00 0.00 H new ATOM 0 HB3 ARG A 89 11.093 7.073 1.523 1.00 0.00 H new ATOM 0 HG2 ARG A 89 8.736 7.880 1.608 1.00 0.00 H new ATOM 0 HG3 ARG A 89 8.492 7.051 3.133 1.00 0.00 H new ATOM 0 HD2 ARG A 89 10.359 8.466 4.129 1.00 0.00 H new ATOM 0 HD3 ARG A 89 10.426 9.359 2.622 1.00 0.00 H new ATOM 0 HE ARG A 89 7.732 9.286 3.745 1.00 0.00 H new ATOM 0 HH11 ARG A 89 10.852 10.992 3.880 1.00 0.00 H new ATOM 0 HH12 ARG A 89 10.137 12.471 4.530 1.00 0.00 H new ATOM 0 HH21 ARG A 89 6.868 11.195 4.638 1.00 0.00 H new ATOM 0 HH22 ARG A 89 7.914 12.583 4.953 1.00 0.00 H new ATOM 1418 N GLU A 90 10.865 3.302 0.304 1.00 0.00 N ATOM 1419 CA GLU A 90 11.902 2.320 -0.078 1.00 0.00 C ATOM 1420 C GLU A 90 12.605 2.765 -1.359 1.00 0.00 C ATOM 1421 O GLU A 90 13.691 3.340 -1.315 1.00 0.00 O ATOM 1422 CB GLU A 90 11.299 0.894 -0.270 1.00 0.00 C ATOM 1423 CG GLU A 90 10.655 0.286 0.978 1.00 0.00 C ATOM 1424 CD GLU A 90 11.625 0.088 2.149 1.00 0.00 C ATOM 1425 OE1 GLU A 90 12.343 -0.929 2.173 1.00 0.00 O ATOM 1426 OE2 GLU A 90 11.669 0.945 3.059 1.00 0.00 O ATOM 0 H GLU A 90 9.961 3.141 -0.141 1.00 0.00 H new ATOM 0 HA GLU A 90 12.627 2.272 0.734 1.00 0.00 H new ATOM 0 HB2 GLU A 90 10.551 0.937 -1.061 1.00 0.00 H new ATOM 0 HB3 GLU A 90 12.089 0.226 -0.614 1.00 0.00 H new ATOM 0 HG2 GLU A 90 9.837 0.930 1.302 1.00 0.00 H new ATOM 0 HG3 GLU A 90 10.218 -0.677 0.716 1.00 0.00 H new ATOM 1433 N LEU A 91 11.932 2.531 -2.495 1.00 0.00 N ATOM 1434 CA LEU A 91 12.509 2.690 -3.835 1.00 0.00 C ATOM 1435 C LEU A 91 11.964 3.976 -4.465 1.00 0.00 C ATOM 1436 O LEU A 91 10.795 4.300 -4.282 1.00 0.00 O ATOM 1437 CB LEU A 91 12.137 1.448 -4.698 1.00 0.00 C ATOM 1438 CG LEU A 91 12.429 0.052 -4.038 1.00 0.00 C ATOM 1439 CD1 LEU A 91 11.886 -1.110 -4.899 1.00 0.00 C ATOM 1440 CD2 LEU A 91 13.939 -0.133 -3.738 1.00 0.00 C ATOM 0 H LEU A 91 10.960 2.222 -2.508 1.00 0.00 H new ATOM 0 HA LEU A 91 13.595 2.763 -3.778 1.00 0.00 H new ATOM 0 HB2 LEU A 91 11.076 1.501 -4.940 1.00 0.00 H new ATOM 0 HB3 LEU A 91 12.682 1.506 -5.640 1.00 0.00 H new ATOM 0 HG LEU A 91 11.899 0.032 -3.086 1.00 0.00 H new ATOM 0 HD11 LEU A 91 12.107 -2.059 -4.410 1.00 0.00 H new ATOM 0 HD12 LEU A 91 10.807 -1.004 -5.015 1.00 0.00 H new ATOM 0 HD13 LEU A 91 12.360 -1.088 -5.880 1.00 0.00 H new ATOM 0 HD21 LEU A 91 14.102 -1.110 -3.282 1.00 0.00 H new ATOM 0 HD22 LEU A 91 14.505 -0.067 -4.667 1.00 0.00 H new ATOM 0 HD23 LEU A 91 14.272 0.647 -3.054 1.00 0.00 H new