USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 497 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 34 THR OG1 : rot -40:sc= -3.18! USER MOD Set 1.2: A 80 HIS : no HE2:sc= -15.1! C(o=-18!,f=-23!) USER MOD Set 2.1: A 66 GLN : amide:sc= -1.38 K(o=-2.7,f=-8!) USER MOD Set 2.2: A 77 ASN : amide:sc= -1.35 K(o=-2.7,f=-4.9!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 155:sc= -1.53 (180deg=-2.11!) USER MOD Single : A 38 ASN : amide:sc= -4.58! C(o=-4.6!,f=-7.9!) USER MOD Single : A 39 MET CE :methyl 159:sc= -2.39! (180deg=-3.3!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= -2.16! C(o=-2.2!,f=-4.4!) USER MOD Single : A 51 THR OG1 : rot 180:sc= -1.44! USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 112:sc= -4.68! USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 CYS SG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot 126:sc= 0.253 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 40:sc= -7.69! USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= -0.607 X(o=-0.61,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 353 N LEU A 21 -2.296 -1.123 -5.040 1.00 0.00 N ATOM 354 CA LEU A 21 -1.979 -0.216 -3.900 1.00 0.00 C ATOM 355 C LEU A 21 -0.942 0.827 -4.326 1.00 0.00 C ATOM 356 O LEU A 21 0.142 0.496 -4.762 1.00 0.00 O ATOM 357 CB LEU A 21 -1.409 -1.130 -2.814 1.00 0.00 C ATOM 358 CG LEU A 21 -0.894 -0.289 -1.643 1.00 0.00 C ATOM 359 CD1 LEU A 21 0.484 0.280 -1.987 1.00 0.00 C ATOM 360 CD2 LEU A 21 -1.866 0.862 -1.369 1.00 0.00 C ATOM 0 HA LEU A 21 -2.854 0.333 -3.552 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.178 -1.820 -2.467 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.599 -1.734 -3.223 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.817 -0.917 -0.756 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.849 0.878 -1.152 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.178 -0.538 -2.178 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.408 0.906 -2.876 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.497 1.459 -0.535 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.947 1.489 -2.257 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.847 0.458 -1.120 1.00 0.00 H new ATOM 372 N ILE A 22 -1.266 2.085 -4.202 1.00 0.00 N ATOM 373 CA ILE A 22 -0.298 3.148 -4.597 1.00 0.00 C ATOM 374 C ILE A 22 0.393 3.717 -3.355 1.00 0.00 C ATOM 375 O ILE A 22 -0.235 3.977 -2.348 1.00 0.00 O ATOM 376 CB ILE A 22 -1.146 4.221 -5.280 1.00 0.00 C ATOM 377 CG1 ILE A 22 -2.098 3.558 -6.278 1.00 0.00 C ATOM 378 CG2 ILE A 22 -0.232 5.199 -6.021 1.00 0.00 C ATOM 379 CD1 ILE A 22 -1.318 2.576 -7.154 1.00 0.00 C ATOM 0 H ILE A 22 -2.159 2.423 -3.844 1.00 0.00 H new ATOM 0 HA ILE A 22 0.487 2.772 -5.253 1.00 0.00 H new ATOM 0 HB ILE A 22 -1.723 4.761 -4.529 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -2.893 3.035 -5.746 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -2.576 4.316 -6.899 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -0.837 5.964 -6.508 1.00 0.00 H new ATOM 0 HG22 ILE A 22 0.448 5.671 -5.311 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.345 4.660 -6.772 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -1.997 2.104 -7.865 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -0.539 3.112 -7.697 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -0.861 1.811 -6.526 1.00 0.00 H new ATOM 391 N ALA A 23 1.683 3.912 -3.417 1.00 0.00 N ATOM 392 CA ALA A 23 2.409 4.461 -2.237 1.00 0.00 C ATOM 393 C ALA A 23 3.184 5.722 -2.628 1.00 0.00 C ATOM 394 O ALA A 23 3.756 5.806 -3.697 1.00 0.00 O ATOM 395 CB ALA A 23 3.371 3.351 -1.812 1.00 0.00 C ATOM 0 H ALA A 23 2.264 3.715 -4.232 1.00 0.00 H new ATOM 0 HA ALA A 23 1.731 4.744 -1.432 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.945 3.679 -0.945 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.804 2.457 -1.554 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.051 3.125 -2.633 1.00 0.00 H new ATOM 401 N LYS A 24 3.210 6.703 -1.767 1.00 0.00 N ATOM 402 CA LYS A 24 3.949 7.958 -2.086 1.00 0.00 C ATOM 403 C LYS A 24 4.979 8.251 -0.993 1.00 0.00 C ATOM 404 O LYS A 24 4.712 8.098 0.183 1.00 0.00 O ATOM 405 CB LYS A 24 2.879 9.050 -2.123 1.00 0.00 C ATOM 406 CG LYS A 24 3.549 10.424 -2.064 1.00 0.00 C ATOM 407 CD LYS A 24 2.664 11.455 -2.770 1.00 0.00 C ATOM 408 CE LYS A 24 3.524 12.319 -3.694 1.00 0.00 C ATOM 409 NZ LYS A 24 3.627 13.635 -3.003 1.00 0.00 N ATOM 0 H LYS A 24 2.751 6.690 -0.856 1.00 0.00 H new ATOM 0 HA LYS A 24 4.493 7.892 -3.028 1.00 0.00 H new ATOM 0 HB2 LYS A 24 2.286 8.962 -3.033 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.194 8.931 -1.283 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.711 10.717 -1.027 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.529 10.383 -2.540 1.00 0.00 H new ATOM 0 HD2 LYS A 24 1.888 10.950 -3.345 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.160 12.081 -2.034 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.508 11.875 -3.847 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.065 12.424 -4.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.203 14.284 -3.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 2.676 14.036 -2.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.074 13.505 -2.073 1.00 0.00 H new ATOM 423 N VAL A 25 6.157 8.668 -1.369 1.00 0.00 N ATOM 424 CA VAL A 25 7.203 8.966 -0.348 1.00 0.00 C ATOM 425 C VAL A 25 7.171 10.449 0.029 1.00 0.00 C ATOM 426 O VAL A 25 7.085 11.315 -0.820 1.00 0.00 O ATOM 427 CB VAL A 25 8.528 8.612 -1.021 1.00 0.00 C ATOM 428 CG1 VAL A 25 8.614 9.309 -2.381 1.00 0.00 C ATOM 429 CG2 VAL A 25 9.688 9.079 -0.138 1.00 0.00 C ATOM 0 H VAL A 25 6.441 8.815 -2.338 1.00 0.00 H new ATOM 0 HA VAL A 25 7.051 8.403 0.573 1.00 0.00 H new ATOM 0 HB VAL A 25 8.586 7.533 -1.161 1.00 0.00 H new ATOM 0 HG11 VAL A 25 9.560 9.056 -2.860 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.788 8.980 -3.011 1.00 0.00 H new ATOM 0 HG13 VAL A 25 8.556 10.388 -2.241 1.00 0.00 H new ATOM 0 HG21 VAL A 25 10.634 8.827 -0.617 1.00 0.00 H new ATOM 0 HG22 VAL A 25 9.628 10.158 0.001 1.00 0.00 H new ATOM 0 HG23 VAL A 25 9.629 8.584 0.832 1.00 0.00 H new ATOM 439 N GLU A 26 7.240 10.748 1.298 1.00 0.00 N ATOM 440 CA GLU A 26 7.215 12.174 1.732 1.00 0.00 C ATOM 441 C GLU A 26 8.558 12.560 2.358 1.00 0.00 C ATOM 442 O GLU A 26 9.319 11.715 2.786 1.00 0.00 O ATOM 443 CB GLU A 26 6.096 12.252 2.771 1.00 0.00 C ATOM 444 CG GLU A 26 5.148 13.399 2.417 1.00 0.00 C ATOM 445 CD GLU A 26 3.713 13.004 2.771 1.00 0.00 C ATOM 446 OE1 GLU A 26 3.541 11.964 3.385 1.00 0.00 O ATOM 447 OE2 GLU A 26 2.811 13.747 2.422 1.00 0.00 O ATOM 0 H GLU A 26 7.313 10.066 2.053 1.00 0.00 H new ATOM 0 HA GLU A 26 7.046 12.857 0.899 1.00 0.00 H new ATOM 0 HB2 GLU A 26 5.548 11.310 2.802 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.518 12.408 3.764 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.433 14.300 2.960 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.221 13.630 1.354 1.00 0.00 H new ATOM 511 N ILE A 32 11.716 10.748 5.469 1.00 0.00 N ATOM 512 CA ILE A 32 11.434 9.548 4.631 1.00 0.00 C ATOM 513 C ILE A 32 10.192 8.818 5.154 1.00 0.00 C ATOM 514 O ILE A 32 10.283 7.919 5.964 1.00 0.00 O ATOM 515 CB ILE A 32 12.681 8.669 4.767 1.00 0.00 C ATOM 516 CG1 ILE A 32 13.703 9.077 3.704 1.00 0.00 C ATOM 517 CG2 ILE A 32 12.304 7.200 4.567 1.00 0.00 C ATOM 518 CD1 ILE A 32 13.063 8.972 2.318 1.00 0.00 C ATOM 0 HA ILE A 32 11.232 9.805 3.591 1.00 0.00 H new ATOM 0 HB ILE A 32 13.108 8.799 5.761 1.00 0.00 H new ATOM 0 HG12 ILE A 32 14.043 10.097 3.883 1.00 0.00 H new ATOM 0 HG13 ILE A 32 14.581 8.433 3.761 1.00 0.00 H new ATOM 0 HG21 ILE A 32 13.195 6.579 4.665 1.00 0.00 H new ATOM 0 HG22 ILE A 32 11.573 6.906 5.320 1.00 0.00 H new ATOM 0 HG23 ILE A 32 11.876 7.066 3.574 1.00 0.00 H new ATOM 0 HD11 ILE A 32 13.789 9.262 1.559 1.00 0.00 H new ATOM 0 HD12 ILE A 32 12.744 7.945 2.141 1.00 0.00 H new ATOM 0 HD13 ILE A 32 12.199 9.634 2.265 1.00 0.00 H new ATOM 530 N LYS A 33 9.034 9.200 4.692 1.00 0.00 N ATOM 531 CA LYS A 33 7.786 8.528 5.158 1.00 0.00 C ATOM 532 C LYS A 33 6.939 8.105 3.955 1.00 0.00 C ATOM 533 O LYS A 33 7.003 8.704 2.900 1.00 0.00 O ATOM 534 CB LYS A 33 7.054 9.587 5.985 1.00 0.00 C ATOM 535 CG LYS A 33 6.805 9.050 7.396 1.00 0.00 C ATOM 536 CD LYS A 33 5.987 10.068 8.192 1.00 0.00 C ATOM 537 CE LYS A 33 6.600 11.461 8.024 1.00 0.00 C ATOM 538 NZ LYS A 33 5.806 12.102 6.939 1.00 0.00 N ATOM 0 H LYS A 33 8.897 9.948 4.012 1.00 0.00 H new ATOM 0 HA LYS A 33 7.989 7.628 5.738 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.646 10.501 6.031 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.107 9.844 5.510 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.274 8.100 7.346 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.754 8.859 7.897 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.953 10.070 7.846 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.970 9.792 9.246 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.539 12.034 8.949 1.00 0.00 H new ATOM 0 HE3 LYS A 33 7.655 11.399 7.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.852 13.136 7.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.195 11.827 6.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.816 11.791 7.004 1.00 0.00 H new ATOM 552 N THR A 34 6.147 7.078 4.100 1.00 0.00 N ATOM 553 CA THR A 34 5.303 6.628 2.956 1.00 0.00 C ATOM 554 C THR A 34 3.831 6.951 3.221 1.00 0.00 C ATOM 555 O THR A 34 3.225 6.429 4.134 1.00 0.00 O ATOM 556 CB THR A 34 5.519 5.114 2.872 1.00 0.00 C ATOM 557 OG1 THR A 34 6.679 4.850 2.100 1.00 0.00 O ATOM 558 CG2 THR A 34 4.306 4.454 2.213 1.00 0.00 C ATOM 0 H THR A 34 6.048 6.533 4.957 1.00 0.00 H new ATOM 0 HA THR A 34 5.571 7.128 2.025 1.00 0.00 H new ATOM 0 HB THR A 34 5.645 4.709 3.876 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.710 5.463 1.336 1.00 0.00 H new ATOM 0 HG21 THR A 34 4.464 3.377 2.155 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.414 4.659 2.805 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.174 4.856 1.208 1.00 0.00 H new ATOM 566 N VAL A 35 3.250 7.804 2.423 1.00 0.00 N ATOM 567 CA VAL A 35 1.816 8.154 2.624 1.00 0.00 C ATOM 568 C VAL A 35 0.953 7.423 1.593 1.00 0.00 C ATOM 569 O VAL A 35 1.087 7.625 0.403 1.00 0.00 O ATOM 570 CB VAL A 35 1.741 9.666 2.413 1.00 0.00 C ATOM 571 CG1 VAL A 35 2.415 10.032 1.089 1.00 0.00 C ATOM 572 CG2 VAL A 35 0.275 10.103 2.375 1.00 0.00 C ATOM 0 H VAL A 35 3.706 8.274 1.641 1.00 0.00 H new ATOM 0 HA VAL A 35 1.452 7.866 3.610 1.00 0.00 H new ATOM 0 HB VAL A 35 2.251 10.172 3.232 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.361 11.110 0.939 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.459 9.721 1.114 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.905 9.526 0.269 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.221 11.181 2.225 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.235 9.596 1.556 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.207 9.843 3.318 1.00 0.00 H new ATOM 582 N ILE A 36 0.069 6.573 2.040 1.00 0.00 N ATOM 583 CA ILE A 36 -0.798 5.830 1.081 1.00 0.00 C ATOM 584 C ILE A 36 -2.140 6.549 0.915 1.00 0.00 C ATOM 585 O ILE A 36 -2.938 6.614 1.829 1.00 0.00 O ATOM 586 CB ILE A 36 -0.997 4.452 1.713 1.00 0.00 C ATOM 587 CG1 ILE A 36 0.310 3.659 1.624 1.00 0.00 C ATOM 588 CG2 ILE A 36 -2.098 3.702 0.963 1.00 0.00 C ATOM 589 CD1 ILE A 36 0.688 3.133 3.011 1.00 0.00 C ATOM 0 H ILE A 36 -0.090 6.361 3.025 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.353 5.760 0.088 1.00 0.00 H new ATOM 0 HB ILE A 36 -1.283 4.568 2.758 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.196 2.828 0.928 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.106 4.294 1.235 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.240 2.719 1.413 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.028 4.267 1.022 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -1.811 3.584 -0.082 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.618 2.569 2.945 1.00 0.00 H new ATOM 0 HD12 ILE A 36 0.820 3.972 3.695 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.105 2.483 3.382 1.00 0.00 H new ATOM 601 N VAL A 37 -2.392 7.090 -0.245 1.00 0.00 N ATOM 602 CA VAL A 37 -3.680 7.806 -0.472 1.00 0.00 C ATOM 603 C VAL A 37 -4.745 6.831 -0.979 1.00 0.00 C ATOM 604 O VAL A 37 -5.931 7.076 -0.863 1.00 0.00 O ATOM 605 CB VAL A 37 -3.364 8.857 -1.535 1.00 0.00 C ATOM 606 CG1 VAL A 37 -2.382 9.882 -0.966 1.00 0.00 C ATOM 607 CG2 VAL A 37 -2.738 8.174 -2.754 1.00 0.00 C ATOM 0 H VAL A 37 -1.761 7.067 -1.046 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.071 8.254 0.441 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.283 9.362 -1.831 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.157 10.631 -1.725 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.826 10.368 -0.097 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.462 9.379 -0.670 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.512 8.922 -3.514 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.819 7.670 -2.456 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.437 7.444 -3.161 1.00 0.00 H new ATOM 617 N ASN A 38 -4.334 5.729 -1.542 1.00 0.00 N ATOM 618 CA ASN A 38 -5.325 4.740 -2.057 1.00 0.00 C ATOM 619 C ASN A 38 -5.652 3.707 -0.976 1.00 0.00 C ATOM 620 O ASN A 38 -6.274 2.696 -1.236 1.00 0.00 O ATOM 621 CB ASN A 38 -4.634 4.071 -3.247 1.00 0.00 C ATOM 622 CG ASN A 38 -4.458 5.090 -4.374 1.00 0.00 C ATOM 623 OD1 ASN A 38 -3.559 5.907 -4.335 1.00 0.00 O ATOM 624 ND2 ASN A 38 -5.284 5.077 -5.383 1.00 0.00 N ATOM 0 H ASN A 38 -3.356 5.470 -1.668 1.00 0.00 H new ATOM 0 HA ASN A 38 -6.267 5.209 -2.343 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -3.664 3.677 -2.944 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -5.226 3.225 -3.596 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -5.176 5.752 -6.140 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -6.038 4.391 -5.416 1.00 0.00 H new ATOM 631 N MET A 39 -5.239 3.952 0.238 1.00 0.00 N ATOM 632 CA MET A 39 -5.528 2.984 1.334 1.00 0.00 C ATOM 633 C MET A 39 -7.041 2.810 1.497 1.00 0.00 C ATOM 634 O MET A 39 -7.538 1.708 1.623 1.00 0.00 O ATOM 635 CB MET A 39 -4.920 3.610 2.589 1.00 0.00 C ATOM 636 CG MET A 39 -4.720 2.530 3.655 1.00 0.00 C ATOM 637 SD MET A 39 -3.623 1.242 3.012 1.00 0.00 S ATOM 638 CE MET A 39 -2.632 1.018 4.510 1.00 0.00 C ATOM 0 H MET A 39 -4.714 4.781 0.518 1.00 0.00 H new ATOM 0 HA MET A 39 -5.114 1.996 1.133 1.00 0.00 H new ATOM 0 HB2 MET A 39 -3.966 4.079 2.348 1.00 0.00 H new ATOM 0 HB3 MET A 39 -5.574 4.395 2.970 1.00 0.00 H new ATOM 0 HG2 MET A 39 -4.293 2.969 4.557 1.00 0.00 H new ATOM 0 HG3 MET A 39 -5.681 2.098 3.935 1.00 0.00 H new ATOM 0 HE1 MET A 39 -2.148 0.042 4.484 1.00 0.00 H new ATOM 0 HE2 MET A 39 -1.872 1.798 4.564 1.00 0.00 H new ATOM 0 HE3 MET A 39 -3.278 1.079 5.386 1.00 0.00 H new ATOM 648 N VAL A 40 -7.775 3.888 1.496 1.00 0.00 N ATOM 649 CA VAL A 40 -9.254 3.782 1.649 1.00 0.00 C ATOM 650 C VAL A 40 -9.865 3.106 0.419 1.00 0.00 C ATOM 651 O VAL A 40 -10.738 2.269 0.526 1.00 0.00 O ATOM 652 CB VAL A 40 -9.746 5.224 1.768 1.00 0.00 C ATOM 653 CG1 VAL A 40 -8.985 5.933 2.890 1.00 0.00 C ATOM 654 CG2 VAL A 40 -9.502 5.956 0.446 1.00 0.00 C ATOM 0 H VAL A 40 -7.415 4.837 1.396 1.00 0.00 H new ATOM 0 HA VAL A 40 -9.537 3.183 2.515 1.00 0.00 H new ATOM 0 HB VAL A 40 -10.812 5.226 1.995 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -9.336 6.961 2.974 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -9.157 5.412 3.832 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.919 5.931 2.664 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -9.853 6.985 0.530 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -8.436 5.953 0.220 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -10.044 5.452 -0.354 1.00 0.00 H new ATOM 664 N ASP A 41 -9.410 3.463 -0.751 1.00 0.00 N ATOM 665 CA ASP A 41 -9.963 2.841 -1.988 1.00 0.00 C ATOM 666 C ASP A 41 -9.630 1.347 -2.021 1.00 0.00 C ATOM 667 O ASP A 41 -10.488 0.514 -2.233 1.00 0.00 O ATOM 668 CB ASP A 41 -9.272 3.570 -3.142 1.00 0.00 C ATOM 669 CG ASP A 41 -9.625 5.057 -3.089 1.00 0.00 C ATOM 670 OD1 ASP A 41 -9.116 5.736 -2.213 1.00 0.00 O ATOM 671 OD2 ASP A 41 -10.398 5.492 -3.926 1.00 0.00 O ATOM 0 H ASP A 41 -8.679 4.158 -0.904 1.00 0.00 H new ATOM 0 HA ASP A 41 -11.048 2.927 -2.044 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -8.192 3.439 -3.074 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -9.586 3.144 -4.095 1.00 0.00 H new ATOM 676 N VAL A 42 -8.389 1.002 -1.812 1.00 0.00 N ATOM 677 CA VAL A 42 -8.002 -0.439 -1.830 1.00 0.00 C ATOM 678 C VAL A 42 -8.664 -1.177 -0.664 1.00 0.00 C ATOM 679 O VAL A 42 -9.176 -2.269 -0.819 1.00 0.00 O ATOM 680 CB VAL A 42 -6.481 -0.442 -1.673 1.00 0.00 C ATOM 681 CG1 VAL A 42 -6.002 -1.862 -1.364 1.00 0.00 C ATOM 682 CG2 VAL A 42 -5.835 0.042 -2.974 1.00 0.00 C ATOM 0 H VAL A 42 -7.626 1.654 -1.630 1.00 0.00 H new ATOM 0 HA VAL A 42 -8.318 -0.941 -2.744 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.198 0.222 -0.856 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.918 -1.864 -1.252 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.463 -2.208 -0.439 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.284 -2.527 -2.181 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.751 0.041 -2.864 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.118 -0.623 -3.790 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.176 1.053 -3.195 1.00 0.00 H new ATOM 692 N ALA A 43 -8.658 -0.591 0.502 1.00 0.00 N ATOM 693 CA ALA A 43 -9.287 -1.260 1.676 1.00 0.00 C ATOM 694 C ALA A 43 -10.778 -1.484 1.419 1.00 0.00 C ATOM 695 O ALA A 43 -11.351 -2.470 1.839 1.00 0.00 O ATOM 696 CB ALA A 43 -9.083 -0.292 2.841 1.00 0.00 C ATOM 0 H ALA A 43 -8.245 0.322 0.692 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.849 -2.237 1.878 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -9.520 -0.714 3.746 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -8.016 -0.128 2.996 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -9.566 0.658 2.614 1.00 0.00 H new ATOM 702 N LYS A 44 -11.409 -0.576 0.729 1.00 0.00 N ATOM 703 CA LYS A 44 -12.863 -0.731 0.441 1.00 0.00 C ATOM 704 C LYS A 44 -13.096 -1.950 -0.455 1.00 0.00 C ATOM 705 O LYS A 44 -14.049 -2.686 -0.285 1.00 0.00 O ATOM 706 CB LYS A 44 -13.262 0.553 -0.285 1.00 0.00 C ATOM 707 CG LYS A 44 -14.755 0.816 -0.074 1.00 0.00 C ATOM 708 CD LYS A 44 -15.490 0.684 -1.409 1.00 0.00 C ATOM 709 CE LYS A 44 -16.380 1.910 -1.627 1.00 0.00 C ATOM 710 NZ LYS A 44 -17.529 1.411 -2.434 1.00 0.00 N ATOM 0 H LYS A 44 -10.980 0.269 0.351 1.00 0.00 H new ATOM 0 HA LYS A 44 -13.450 -0.885 1.346 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.677 1.393 0.091 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -13.044 0.464 -1.349 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -15.161 0.108 0.648 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -14.905 1.814 0.339 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -14.772 0.594 -2.224 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -16.095 -0.223 -1.415 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -16.716 2.328 -0.678 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -15.843 2.700 -2.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -18.185 2.195 -2.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -17.179 1.025 -3.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -18.025 0.665 -1.907 1.00 0.00 H new ATOM 724 N ALA A 45 -12.233 -2.170 -1.409 1.00 0.00 N ATOM 725 CA ALA A 45 -12.405 -3.342 -2.316 1.00 0.00 C ATOM 726 C ALA A 45 -12.054 -4.637 -1.577 1.00 0.00 C ATOM 727 O ALA A 45 -12.487 -5.710 -1.947 1.00 0.00 O ATOM 728 CB ALA A 45 -11.428 -3.098 -3.466 1.00 0.00 C ATOM 0 H ALA A 45 -11.416 -1.590 -1.600 1.00 0.00 H new ATOM 0 HA ALA A 45 -13.431 -3.446 -2.669 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -11.494 -3.919 -4.180 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -11.680 -2.162 -3.965 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.413 -3.038 -3.074 1.00 0.00 H new ATOM 734 N LEU A 46 -11.272 -4.544 -0.537 1.00 0.00 N ATOM 735 CA LEU A 46 -10.893 -5.770 0.223 1.00 0.00 C ATOM 736 C LEU A 46 -11.709 -5.871 1.517 1.00 0.00 C ATOM 737 O LEU A 46 -11.527 -6.762 2.321 1.00 0.00 O ATOM 738 CB LEU A 46 -9.409 -5.607 0.541 1.00 0.00 C ATOM 739 CG LEU A 46 -8.931 -6.808 1.363 1.00 0.00 C ATOM 740 CD1 LEU A 46 -9.767 -8.041 1.007 1.00 0.00 C ATOM 741 CD2 LEU A 46 -7.460 -7.082 1.049 1.00 0.00 C ATOM 0 H LEU A 46 -10.879 -3.673 -0.180 1.00 0.00 H new ATOM 0 HA LEU A 46 -11.088 -6.678 -0.348 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.834 -5.532 -0.382 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -9.244 -4.683 1.096 1.00 0.00 H new ATOM 0 HG LEU A 46 -9.045 -6.590 2.425 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -9.425 -8.894 1.593 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.816 -7.846 1.229 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.656 -8.262 -0.055 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.116 -7.936 1.632 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.349 -7.300 -0.013 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.864 -6.206 1.304 1.00 0.00 H new ATOM 753 N ASN A 47 -12.601 -4.958 1.716 1.00 0.00 N ATOM 754 CA ASN A 47 -13.440 -4.977 2.949 1.00 0.00 C ATOM 755 C ASN A 47 -12.568 -4.744 4.187 1.00 0.00 C ATOM 756 O ASN A 47 -12.707 -3.755 4.879 1.00 0.00 O ATOM 757 CB ASN A 47 -14.064 -6.373 2.987 1.00 0.00 C ATOM 758 CG ASN A 47 -14.546 -6.757 1.587 1.00 0.00 C ATOM 759 OD1 ASN A 47 -13.799 -7.309 0.804 1.00 0.00 O ATOM 760 ND2 ASN A 47 -15.773 -6.485 1.237 1.00 0.00 N ATOM 0 H ASN A 47 -12.793 -4.188 1.076 1.00 0.00 H new ATOM 0 HA ASN A 47 -14.198 -4.194 2.943 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -13.334 -7.099 3.343 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -14.899 -6.390 3.688 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -16.105 -6.736 0.306 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -16.400 -6.022 1.895 1.00 0.00 H new ATOM 767 N ARG A 48 -11.671 -5.648 4.471 1.00 0.00 N ATOM 768 CA ARG A 48 -10.793 -5.477 5.664 1.00 0.00 C ATOM 769 C ARG A 48 -9.689 -4.459 5.366 1.00 0.00 C ATOM 770 O ARG A 48 -8.926 -4.625 4.435 1.00 0.00 O ATOM 771 CB ARG A 48 -10.191 -6.860 5.915 1.00 0.00 C ATOM 772 CG ARG A 48 -11.285 -7.815 6.399 1.00 0.00 C ATOM 773 CD ARG A 48 -10.684 -8.824 7.378 1.00 0.00 C ATOM 774 NE ARG A 48 -9.886 -9.755 6.532 1.00 0.00 N ATOM 775 CZ ARG A 48 -8.840 -9.315 5.888 1.00 0.00 C ATOM 776 NH1 ARG A 48 -7.944 -8.597 6.509 1.00 0.00 N ATOM 777 NH2 ARG A 48 -8.690 -9.591 4.621 1.00 0.00 N ATOM 0 H ARG A 48 -11.508 -6.497 3.930 1.00 0.00 H new ATOM 0 HA ARG A 48 -11.342 -5.108 6.530 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -9.739 -7.243 5.000 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -9.397 -6.793 6.659 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -12.084 -7.254 6.883 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -11.730 -8.336 5.551 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -10.057 -8.329 8.119 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -11.463 -9.356 7.924 1.00 0.00 H new ATOM 0 HE ARG A 48 -10.157 -10.735 6.456 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -8.061 -8.379 7.499 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -7.127 -8.254 6.005 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -9.390 -10.151 4.135 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -7.872 -9.247 4.117 1.00 0.00 H new ATOM 791 N PRO A 49 -9.643 -3.434 6.173 1.00 0.00 N ATOM 792 CA PRO A 49 -8.623 -2.372 5.998 1.00 0.00 C ATOM 793 C PRO A 49 -7.244 -2.880 6.428 1.00 0.00 C ATOM 794 O PRO A 49 -7.127 -3.649 7.361 1.00 0.00 O ATOM 795 CB PRO A 49 -9.104 -1.257 6.923 1.00 0.00 C ATOM 796 CG PRO A 49 -9.933 -1.945 7.960 1.00 0.00 C ATOM 797 CD PRO A 49 -10.528 -3.169 7.313 1.00 0.00 C ATOM 0 HA PRO A 49 -8.518 -2.045 4.964 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -8.264 -0.730 7.375 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -9.689 -0.516 6.378 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.322 -2.222 8.819 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -10.718 -1.283 8.327 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -10.554 -4.013 8.003 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -11.553 -2.991 6.989 1.00 0.00 H new ATOM 805 N PRO A 50 -6.241 -2.424 5.727 1.00 0.00 N ATOM 806 CA PRO A 50 -4.847 -2.831 6.032 1.00 0.00 C ATOM 807 C PRO A 50 -4.368 -2.155 7.320 1.00 0.00 C ATOM 808 O PRO A 50 -3.251 -2.350 7.757 1.00 0.00 O ATOM 809 CB PRO A 50 -4.057 -2.325 4.829 1.00 0.00 C ATOM 810 CG PRO A 50 -4.870 -1.196 4.279 1.00 0.00 C ATOM 811 CD PRO A 50 -6.312 -1.498 4.592 1.00 0.00 C ATOM 0 HA PRO A 50 -4.736 -3.904 6.189 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -3.063 -1.989 5.123 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -3.921 -3.112 4.087 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -4.568 -0.249 4.727 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -4.721 -1.101 3.203 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -6.863 -0.593 4.849 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -6.820 -1.949 3.740 1.00 0.00 H new ATOM 819 N THR A 51 -5.204 -1.361 7.929 1.00 0.00 N ATOM 820 CA THR A 51 -4.800 -0.670 9.186 1.00 0.00 C ATOM 821 C THR A 51 -4.371 -1.690 10.243 1.00 0.00 C ATOM 822 O THR A 51 -3.661 -1.368 11.176 1.00 0.00 O ATOM 823 CB THR A 51 -6.051 0.084 9.641 1.00 0.00 C ATOM 824 OG1 THR A 51 -7.209 -0.635 9.239 1.00 0.00 O ATOM 825 CG2 THR A 51 -6.067 1.476 9.006 1.00 0.00 C ATOM 0 H THR A 51 -6.152 -1.160 7.610 1.00 0.00 H new ATOM 0 HA THR A 51 -3.952 -0.002 9.034 1.00 0.00 H new ATOM 0 HB THR A 51 -6.043 0.181 10.727 1.00 0.00 H new ATOM 0 HG1 THR A 51 -8.011 -0.154 9.532 1.00 0.00 H new ATOM 0 HG21 THR A 51 -6.958 2.013 9.330 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.179 2.027 9.315 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.076 1.381 7.920 1.00 0.00 H new ATOM 833 N TYR A 52 -4.798 -2.917 10.112 1.00 0.00 N ATOM 834 CA TYR A 52 -4.411 -3.948 11.119 1.00 0.00 C ATOM 835 C TYR A 52 -3.015 -4.505 10.814 1.00 0.00 C ATOM 836 O TYR A 52 -2.123 -4.422 11.635 1.00 0.00 O ATOM 837 CB TYR A 52 -5.466 -5.046 10.983 1.00 0.00 C ATOM 838 CG TYR A 52 -6.492 -4.901 12.080 1.00 0.00 C ATOM 839 CD1 TYR A 52 -7.497 -3.931 11.974 1.00 0.00 C ATOM 840 CD2 TYR A 52 -6.440 -5.736 13.202 1.00 0.00 C ATOM 841 CE1 TYR A 52 -8.450 -3.798 12.993 1.00 0.00 C ATOM 842 CE2 TYR A 52 -7.393 -5.603 14.220 1.00 0.00 C ATOM 843 CZ TYR A 52 -8.397 -4.633 14.115 1.00 0.00 C ATOM 844 OH TYR A 52 -9.336 -4.501 15.118 1.00 0.00 O ATOM 0 H TYR A 52 -5.395 -3.250 9.355 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.370 -3.539 12.128 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.949 -4.981 10.008 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.994 -6.027 11.040 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -7.537 -3.287 11.108 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -5.665 -6.483 13.283 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -9.226 -3.051 12.912 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -7.353 -6.248 15.085 1.00 0.00 H new ATOM 0 HH TYR A 52 -9.156 -5.158 15.823 1.00 0.00 H new ATOM 854 N PRO A 53 -2.875 -5.061 9.640 1.00 0.00 N ATOM 855 CA PRO A 53 -1.576 -5.645 9.222 1.00 0.00 C ATOM 856 C PRO A 53 -0.568 -4.547 8.866 1.00 0.00 C ATOM 857 O PRO A 53 0.557 -4.823 8.498 1.00 0.00 O ATOM 858 CB PRO A 53 -1.935 -6.466 7.986 1.00 0.00 C ATOM 859 CG PRO A 53 -3.175 -5.830 7.443 1.00 0.00 C ATOM 860 CD PRO A 53 -3.904 -5.203 8.604 1.00 0.00 C ATOM 0 HA PRO A 53 -1.108 -6.237 10.009 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -1.129 -6.448 7.253 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -2.108 -7.511 8.243 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -2.925 -5.078 6.695 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -3.803 -6.572 6.951 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -4.331 -4.238 8.332 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -4.727 -5.831 8.944 1.00 0.00 H new ATOM 868 N THR A 54 -0.958 -3.305 8.965 1.00 0.00 N ATOM 869 CA THR A 54 -0.012 -2.201 8.625 1.00 0.00 C ATOM 870 C THR A 54 1.209 -2.242 9.548 1.00 0.00 C ATOM 871 O THR A 54 2.266 -1.742 9.217 1.00 0.00 O ATOM 872 CB THR A 54 -0.808 -0.913 8.848 1.00 0.00 C ATOM 873 OG1 THR A 54 -1.959 -1.199 9.626 1.00 0.00 O ATOM 874 CG2 THR A 54 -1.234 -0.330 7.499 1.00 0.00 C ATOM 0 H THR A 54 -1.886 -3.007 9.265 1.00 0.00 H new ATOM 0 HA THR A 54 0.361 -2.280 7.604 1.00 0.00 H new ATOM 0 HB THR A 54 -0.185 -0.188 9.372 1.00 0.00 H new ATOM 0 HG1 THR A 54 -1.871 -0.779 10.507 1.00 0.00 H new ATOM 0 HG21 THR A 54 -1.801 0.587 7.661 1.00 0.00 H new ATOM 0 HG22 THR A 54 -0.349 -0.109 6.902 1.00 0.00 H new ATOM 0 HG23 THR A 54 -1.856 -1.052 6.971 1.00 0.00 H new ATOM 882 N LYS A 55 1.073 -2.828 10.707 1.00 0.00 N ATOM 883 CA LYS A 55 2.228 -2.893 11.650 1.00 0.00 C ATOM 884 C LYS A 55 3.273 -3.898 11.154 1.00 0.00 C ATOM 885 O LYS A 55 4.461 -3.650 11.212 1.00 0.00 O ATOM 886 CB LYS A 55 1.628 -3.357 12.978 1.00 0.00 C ATOM 887 CG LYS A 55 1.911 -2.310 14.058 1.00 0.00 C ATOM 888 CD LYS A 55 2.205 -3.013 15.385 1.00 0.00 C ATOM 889 CE LYS A 55 1.041 -3.939 15.743 1.00 0.00 C ATOM 890 NZ LYS A 55 1.632 -4.970 16.641 1.00 0.00 N ATOM 0 H LYS A 55 0.214 -3.264 11.042 1.00 0.00 H new ATOM 0 HA LYS A 55 2.736 -1.933 11.741 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.553 -3.505 12.872 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.055 -4.318 13.267 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.759 -1.691 13.766 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.054 -1.645 14.168 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.129 -3.586 15.308 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.353 -2.276 16.174 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.241 -3.393 16.242 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.609 -4.393 14.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.894 -5.643 16.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.386 -5.478 16.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.029 -4.509 17.484 1.00 0.00 H new ATOM 904 N TYR A 56 2.843 -5.031 10.670 1.00 0.00 N ATOM 905 CA TYR A 56 3.818 -6.047 10.176 1.00 0.00 C ATOM 906 C TYR A 56 4.677 -5.456 9.057 1.00 0.00 C ATOM 907 O TYR A 56 5.892 -5.518 9.092 1.00 0.00 O ATOM 908 CB TYR A 56 2.959 -7.195 9.644 1.00 0.00 C ATOM 909 CG TYR A 56 3.632 -8.511 9.949 1.00 0.00 C ATOM 910 CD1 TYR A 56 3.427 -9.132 11.187 1.00 0.00 C ATOM 911 CD2 TYR A 56 4.462 -9.111 8.994 1.00 0.00 C ATOM 912 CE1 TYR A 56 4.052 -10.353 11.470 1.00 0.00 C ATOM 913 CE2 TYR A 56 5.086 -10.332 9.277 1.00 0.00 C ATOM 914 CZ TYR A 56 4.881 -10.953 10.515 1.00 0.00 C ATOM 915 OH TYR A 56 5.497 -12.156 10.793 1.00 0.00 O ATOM 0 H TYR A 56 1.861 -5.298 10.595 1.00 0.00 H new ATOM 0 HA TYR A 56 4.501 -6.378 10.958 1.00 0.00 H new ATOM 0 HB2 TYR A 56 1.970 -7.166 10.102 1.00 0.00 H new ATOM 0 HB3 TYR A 56 2.816 -7.088 8.569 1.00 0.00 H new ATOM 0 HD1 TYR A 56 2.787 -8.669 11.924 1.00 0.00 H new ATOM 0 HD2 TYR A 56 4.621 -8.632 8.039 1.00 0.00 H new ATOM 0 HE1 TYR A 56 3.894 -10.832 12.425 1.00 0.00 H new ATOM 0 HE2 TYR A 56 5.726 -10.795 8.540 1.00 0.00 H new ATOM 0 HH TYR A 56 6.036 -12.433 10.023 1.00 0.00 H new ATOM 925 N PHE A 57 4.061 -4.876 8.065 1.00 0.00 N ATOM 926 CA PHE A 57 4.847 -4.279 6.950 1.00 0.00 C ATOM 927 C PHE A 57 5.814 -3.228 7.500 1.00 0.00 C ATOM 928 O PHE A 57 6.963 -3.162 7.112 1.00 0.00 O ATOM 929 CB PHE A 57 3.809 -3.628 6.035 1.00 0.00 C ATOM 930 CG PHE A 57 2.790 -4.659 5.611 1.00 0.00 C ATOM 931 CD1 PHE A 57 3.137 -6.015 5.580 1.00 0.00 C ATOM 932 CD2 PHE A 57 1.499 -4.258 5.246 1.00 0.00 C ATOM 933 CE1 PHE A 57 2.193 -6.970 5.186 1.00 0.00 C ATOM 934 CE2 PHE A 57 0.555 -5.214 4.852 1.00 0.00 C ATOM 935 CZ PHE A 57 0.902 -6.570 4.822 1.00 0.00 C ATOM 0 H PHE A 57 3.048 -4.790 7.978 1.00 0.00 H new ATOM 0 HA PHE A 57 5.445 -5.020 6.419 1.00 0.00 H new ATOM 0 HB2 PHE A 57 3.316 -2.807 6.555 1.00 0.00 H new ATOM 0 HB3 PHE A 57 4.298 -3.203 5.158 1.00 0.00 H new ATOM 0 HD1 PHE A 57 4.133 -6.324 5.860 1.00 0.00 H new ATOM 0 HD2 PHE A 57 1.232 -3.212 5.268 1.00 0.00 H new ATOM 0 HE1 PHE A 57 2.461 -8.016 5.163 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.441 -4.905 4.571 1.00 0.00 H new ATOM 0 HZ PHE A 57 0.174 -7.307 4.518 1.00 0.00 H new ATOM 945 N GLY A 58 5.355 -2.407 8.405 1.00 0.00 N ATOM 946 CA GLY A 58 6.241 -1.359 8.985 1.00 0.00 C ATOM 947 C GLY A 58 7.424 -2.018 9.694 1.00 0.00 C ATOM 948 O GLY A 58 8.525 -1.505 9.692 1.00 0.00 O ATOM 0 H GLY A 58 4.402 -2.417 8.768 1.00 0.00 H new ATOM 0 HA2 GLY A 58 6.600 -0.696 8.198 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.680 -0.744 9.688 1.00 0.00 H new ATOM 952 N CYS A 59 7.210 -3.149 10.306 1.00 0.00 N ATOM 953 CA CYS A 59 8.330 -3.830 11.016 1.00 0.00 C ATOM 954 C CYS A 59 9.487 -4.083 10.047 1.00 0.00 C ATOM 955 O CYS A 59 10.643 -3.983 10.406 1.00 0.00 O ATOM 956 CB CYS A 59 7.742 -5.151 11.511 1.00 0.00 C ATOM 957 SG CYS A 59 7.335 -5.009 13.269 1.00 0.00 S ATOM 0 H CYS A 59 6.312 -3.630 10.346 1.00 0.00 H new ATOM 0 HA CYS A 59 8.727 -3.232 11.836 1.00 0.00 H new ATOM 0 HB2 CYS A 59 6.848 -5.401 10.939 1.00 0.00 H new ATOM 0 HB3 CYS A 59 8.456 -5.960 11.356 1.00 0.00 H new ATOM 0 HG CYS A 59 6.833 -6.132 13.690 1.00 0.00 H new ATOM 963 N GLU A 60 9.184 -4.413 8.823 1.00 0.00 N ATOM 964 CA GLU A 60 10.267 -4.674 7.831 1.00 0.00 C ATOM 965 C GLU A 60 11.071 -3.397 7.556 1.00 0.00 C ATOM 966 O GLU A 60 12.286 -3.408 7.558 1.00 0.00 O ATOM 967 CB GLU A 60 9.539 -5.131 6.566 1.00 0.00 C ATOM 968 CG GLU A 60 8.619 -6.306 6.901 1.00 0.00 C ATOM 969 CD GLU A 60 9.353 -7.622 6.635 1.00 0.00 C ATOM 970 OE1 GLU A 60 10.270 -7.614 5.831 1.00 0.00 O ATOM 971 OE2 GLU A 60 8.984 -8.615 7.241 1.00 0.00 O ATOM 0 H GLU A 60 8.234 -4.514 8.465 1.00 0.00 H new ATOM 0 HA GLU A 60 10.979 -5.418 8.189 1.00 0.00 H new ATOM 0 HB2 GLU A 60 8.958 -4.308 6.151 1.00 0.00 H new ATOM 0 HB3 GLU A 60 10.261 -5.427 5.805 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.311 -6.254 7.945 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.712 -6.255 6.298 1.00 0.00 H new ATOM 978 N LEU A 61 10.405 -2.299 7.313 1.00 0.00 N ATOM 979 CA LEU A 61 11.143 -1.029 7.031 1.00 0.00 C ATOM 980 C LEU A 61 11.564 -0.340 8.334 1.00 0.00 C ATOM 981 O LEU A 61 11.971 0.805 8.337 1.00 0.00 O ATOM 982 CB LEU A 61 10.163 -0.146 6.246 1.00 0.00 C ATOM 983 CG LEU A 61 8.764 -0.238 6.859 1.00 0.00 C ATOM 984 CD1 LEU A 61 8.162 1.163 6.982 1.00 0.00 C ATOM 985 CD2 LEU A 61 7.871 -1.094 5.957 1.00 0.00 C ATOM 0 H LEU A 61 9.388 -2.225 7.297 1.00 0.00 H new ATOM 0 HA LEU A 61 12.058 -1.216 6.468 1.00 0.00 H new ATOM 0 HB2 LEU A 61 10.506 0.889 6.256 1.00 0.00 H new ATOM 0 HB3 LEU A 61 10.133 -0.461 5.203 1.00 0.00 H new ATOM 0 HG LEU A 61 8.832 -0.691 7.848 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.166 1.094 7.419 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.797 1.777 7.621 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.094 1.618 5.994 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.873 -1.161 6.391 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.807 -0.637 4.969 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.296 -2.094 5.867 1.00 0.00 H new ATOM 997 N GLY A 62 11.477 -1.028 9.440 1.00 0.00 N ATOM 998 CA GLY A 62 11.881 -0.409 10.739 1.00 0.00 C ATOM 999 C GLY A 62 10.922 0.731 11.095 1.00 0.00 C ATOM 1000 O GLY A 62 11.108 1.430 12.071 1.00 0.00 O ATOM 0 H GLY A 62 11.145 -1.990 9.502 1.00 0.00 H new ATOM 0 HA2 GLY A 62 11.874 -1.161 11.528 1.00 0.00 H new ATOM 0 HA3 GLY A 62 12.900 -0.030 10.669 1.00 0.00 H new ATOM 1004 N ALA A 63 9.895 0.919 10.315 1.00 0.00 N ATOM 1005 CA ALA A 63 8.917 2.006 10.606 1.00 0.00 C ATOM 1006 C ALA A 63 7.562 1.390 10.954 1.00 0.00 C ATOM 1007 O ALA A 63 7.322 0.231 10.690 1.00 0.00 O ATOM 1008 CB ALA A 63 8.826 2.815 9.315 1.00 0.00 C ATOM 0 H ALA A 63 9.689 0.364 9.484 1.00 0.00 H new ATOM 0 HA ALA A 63 9.217 2.629 11.448 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.123 3.637 9.449 1.00 0.00 H new ATOM 0 HB2 ALA A 63 9.809 3.215 9.067 1.00 0.00 H new ATOM 0 HB3 ALA A 63 8.481 2.171 8.506 1.00 0.00 H new ATOM 1014 N GLN A 64 6.672 2.136 11.546 1.00 0.00 N ATOM 1015 CA GLN A 64 5.358 1.553 11.895 1.00 0.00 C ATOM 1016 C GLN A 64 4.278 2.114 10.974 1.00 0.00 C ATOM 1017 O GLN A 64 4.319 1.939 9.772 1.00 0.00 O ATOM 1018 CB GLN A 64 5.117 1.971 13.346 1.00 0.00 C ATOM 1019 CG GLN A 64 3.941 1.174 13.919 1.00 0.00 C ATOM 1020 CD GLN A 64 3.509 1.787 15.251 1.00 0.00 C ATOM 1021 OE1 GLN A 64 2.366 2.169 15.415 1.00 0.00 O ATOM 1022 NE2 GLN A 64 4.378 1.901 16.217 1.00 0.00 N ATOM 0 H GLN A 64 6.800 3.116 11.799 1.00 0.00 H new ATOM 0 HA GLN A 64 5.334 0.469 11.780 1.00 0.00 H new ATOM 0 HB2 GLN A 64 6.014 1.794 13.940 1.00 0.00 H new ATOM 0 HB3 GLN A 64 4.906 3.039 13.398 1.00 0.00 H new ATOM 0 HG2 GLN A 64 3.107 1.180 13.217 1.00 0.00 H new ATOM 0 HG3 GLN A 64 4.229 0.133 14.062 1.00 0.00 H new ATOM 0 HE21 GLN A 64 5.337 1.581 16.081 1.00 0.00 H new ATOM 0 HE22 GLN A 64 4.099 2.310 17.109 1.00 0.00 H new ATOM 1031 N THR A 65 3.309 2.777 11.528 1.00 0.00 N ATOM 1032 CA THR A 65 2.217 3.342 10.685 1.00 0.00 C ATOM 1033 C THR A 65 1.658 4.625 11.306 1.00 0.00 C ATOM 1034 O THR A 65 1.948 4.960 12.438 1.00 0.00 O ATOM 1035 CB THR A 65 1.139 2.258 10.636 1.00 0.00 C ATOM 1036 OG1 THR A 65 0.282 2.393 11.762 1.00 0.00 O ATOM 1037 CG2 THR A 65 1.790 0.873 10.650 1.00 0.00 C ATOM 0 H THR A 65 3.222 2.955 12.529 1.00 0.00 H new ATOM 0 HA THR A 65 2.575 3.607 9.690 1.00 0.00 H new ATOM 0 HB THR A 65 0.559 2.369 9.720 1.00 0.00 H new ATOM 0 HG1 THR A 65 -0.648 2.461 11.459 1.00 0.00 H new ATOM 0 HG21 THR A 65 1.016 0.107 10.615 1.00 0.00 H new ATOM 0 HG22 THR A 65 2.443 0.769 9.783 1.00 0.00 H new ATOM 0 HG23 THR A 65 2.376 0.755 11.562 1.00 0.00 H new ATOM 1045 N GLN A 66 0.835 5.330 10.579 1.00 0.00 N ATOM 1046 CA GLN A 66 0.224 6.577 11.125 1.00 0.00 C ATOM 1047 C GLN A 66 -1.201 6.698 10.588 1.00 0.00 C ATOM 1048 O GLN A 66 -1.462 6.396 9.441 1.00 0.00 O ATOM 1049 CB GLN A 66 1.100 7.717 10.607 1.00 0.00 C ATOM 1050 CG GLN A 66 1.722 8.461 11.790 1.00 0.00 C ATOM 1051 CD GLN A 66 3.138 7.937 12.036 1.00 0.00 C ATOM 1052 OE1 GLN A 66 3.622 7.095 11.306 1.00 0.00 O ATOM 1053 NE2 GLN A 66 3.827 8.402 13.042 1.00 0.00 N ATOM 0 H GLN A 66 0.558 5.095 9.626 1.00 0.00 H new ATOM 0 HA GLN A 66 0.173 6.588 12.214 1.00 0.00 H new ATOM 0 HB2 GLN A 66 1.883 7.323 9.959 1.00 0.00 H new ATOM 0 HB3 GLN A 66 0.504 8.403 10.005 1.00 0.00 H new ATOM 0 HG2 GLN A 66 1.749 9.531 11.586 1.00 0.00 H new ATOM 0 HG3 GLN A 66 1.111 8.322 12.682 1.00 0.00 H new ATOM 0 HE21 GLN A 66 3.421 9.109 13.655 1.00 0.00 H new ATOM 0 HE22 GLN A 66 4.772 8.059 13.215 1.00 0.00 H new ATOM 1062 N PHE A 67 -2.135 7.109 11.401 1.00 0.00 N ATOM 1063 CA PHE A 67 -3.533 7.203 10.901 1.00 0.00 C ATOM 1064 C PHE A 67 -4.153 8.572 11.135 1.00 0.00 C ATOM 1065 O PHE A 67 -3.934 9.205 12.149 1.00 0.00 O ATOM 1066 CB PHE A 67 -4.275 6.110 11.659 1.00 0.00 C ATOM 1067 CG PHE A 67 -3.978 4.830 10.945 1.00 0.00 C ATOM 1068 CD1 PHE A 67 -4.266 4.742 9.587 1.00 0.00 C ATOM 1069 CD2 PHE A 67 -3.377 3.758 11.611 1.00 0.00 C ATOM 1070 CE1 PHE A 67 -3.956 3.587 8.882 1.00 0.00 C ATOM 1071 CE2 PHE A 67 -3.072 2.589 10.907 1.00 0.00 C ATOM 1072 CZ PHE A 67 -3.359 2.505 9.538 1.00 0.00 C ATOM 0 H PHE A 67 -1.994 7.380 12.374 1.00 0.00 H new ATOM 0 HA PHE A 67 -3.582 7.072 9.820 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.944 6.063 12.696 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -5.347 6.307 11.675 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -4.732 5.574 9.080 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -3.149 3.832 12.664 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -4.176 3.524 7.827 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -2.616 1.753 11.417 1.00 0.00 H new ATOM 0 HZ PHE A 67 -3.120 1.606 8.990 1.00 0.00 H new ATOM 1082 N ASP A 68 -4.956 9.019 10.209 1.00 0.00 N ATOM 1083 CA ASP A 68 -5.622 10.335 10.384 1.00 0.00 C ATOM 1084 C ASP A 68 -7.137 10.141 10.293 1.00 0.00 C ATOM 1085 O ASP A 68 -7.660 9.724 9.279 1.00 0.00 O ATOM 1086 CB ASP A 68 -5.111 11.198 9.232 1.00 0.00 C ATOM 1087 CG ASP A 68 -3.581 11.233 9.261 1.00 0.00 C ATOM 1088 OD1 ASP A 68 -2.984 10.170 9.280 1.00 0.00 O ATOM 1089 OD2 ASP A 68 -3.033 12.324 9.264 1.00 0.00 O ATOM 0 H ASP A 68 -5.178 8.530 9.342 1.00 0.00 H new ATOM 0 HA ASP A 68 -5.408 10.798 11.347 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.458 10.796 8.280 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.510 12.209 9.316 1.00 0.00 H new ATOM 1094 N VAL A 69 -7.846 10.432 11.348 1.00 0.00 N ATOM 1095 CA VAL A 69 -9.325 10.254 11.322 1.00 0.00 C ATOM 1096 C VAL A 69 -9.987 11.507 10.756 1.00 0.00 C ATOM 1097 O VAL A 69 -10.588 11.477 9.700 1.00 0.00 O ATOM 1098 CB VAL A 69 -9.720 10.035 12.781 1.00 0.00 C ATOM 1099 CG1 VAL A 69 -11.119 9.419 12.844 1.00 0.00 C ATOM 1100 CG2 VAL A 69 -8.715 9.083 13.435 1.00 0.00 C ATOM 0 H VAL A 69 -7.466 10.785 12.226 1.00 0.00 H new ATOM 0 HA VAL A 69 -9.639 9.421 10.693 1.00 0.00 H new ATOM 0 HB VAL A 69 -9.721 10.989 13.308 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -11.401 9.263 13.885 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -11.834 10.092 12.371 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -11.120 8.463 12.320 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.991 8.922 14.477 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -8.720 8.129 12.907 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -7.717 9.519 13.387 1.00 0.00 H new ATOM 1110 N LYS A 70 -9.865 12.615 11.432 1.00 0.00 N ATOM 1111 CA LYS A 70 -10.473 13.864 10.902 1.00 0.00 C ATOM 1112 C LYS A 70 -9.936 14.110 9.492 1.00 0.00 C ATOM 1113 O LYS A 70 -10.493 14.866 8.721 1.00 0.00 O ATOM 1114 CB LYS A 70 -10.019 14.969 11.856 1.00 0.00 C ATOM 1115 CG LYS A 70 -10.443 16.330 11.302 1.00 0.00 C ATOM 1116 CD LYS A 70 -9.199 17.132 10.910 1.00 0.00 C ATOM 1117 CE LYS A 70 -9.395 18.599 11.299 1.00 0.00 C ATOM 1118 NZ LYS A 70 -8.020 19.120 11.537 1.00 0.00 N ATOM 0 H LYS A 70 -9.374 12.709 12.321 1.00 0.00 H new ATOM 0 HA LYS A 70 -11.560 13.819 10.842 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.456 14.814 12.842 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -8.936 14.936 11.978 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.090 16.196 10.435 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -11.020 16.875 12.049 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -8.319 16.726 11.410 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -9.023 17.049 9.838 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -9.896 19.154 10.506 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -10.013 18.692 12.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -8.071 20.123 11.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -7.570 18.577 12.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.457 19.025 10.667 1.00 0.00 H new ATOM 1132 N ASN A 71 -8.850 13.464 9.155 1.00 0.00 N ATOM 1133 CA ASN A 71 -8.261 13.638 7.800 1.00 0.00 C ATOM 1134 C ASN A 71 -8.576 12.419 6.927 1.00 0.00 C ATOM 1135 O ASN A 71 -8.721 12.534 5.727 1.00 0.00 O ATOM 1136 CB ASN A 71 -6.756 13.755 8.037 1.00 0.00 C ATOM 1137 CG ASN A 71 -6.285 15.155 7.647 1.00 0.00 C ATOM 1138 OD1 ASN A 71 -6.029 15.424 6.490 1.00 0.00 O ATOM 1139 ND2 ASN A 71 -6.160 16.065 8.573 1.00 0.00 N ATOM 0 H ASN A 71 -8.346 12.821 9.765 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.661 14.510 7.283 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -6.526 13.561 9.085 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -6.226 13.005 7.450 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -5.847 17.004 8.326 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -6.375 15.838 9.544 1.00 0.00 H new ATOM 1146 N ASP A 72 -8.685 11.252 7.519 1.00 0.00 N ATOM 1147 CA ASP A 72 -8.997 10.029 6.716 1.00 0.00 C ATOM 1148 C ASP A 72 -7.788 9.630 5.875 1.00 0.00 C ATOM 1149 O ASP A 72 -7.893 8.869 4.934 1.00 0.00 O ATOM 1150 CB ASP A 72 -10.129 10.447 5.796 1.00 0.00 C ATOM 1151 CG ASP A 72 -11.154 11.274 6.576 1.00 0.00 C ATOM 1152 OD1 ASP A 72 -11.868 10.696 7.378 1.00 0.00 O ATOM 1153 OD2 ASP A 72 -11.207 12.473 6.357 1.00 0.00 O ATOM 0 H ASP A 72 -8.572 11.095 8.521 1.00 0.00 H new ATOM 0 HA ASP A 72 -9.257 9.181 7.349 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -9.736 11.030 4.963 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -10.608 9.565 5.370 1.00 0.00 H new ATOM 1158 N ARG A 73 -6.649 10.146 6.206 1.00 0.00 N ATOM 1159 CA ARG A 73 -5.424 9.812 5.428 1.00 0.00 C ATOM 1160 C ARG A 73 -4.462 9.014 6.301 1.00 0.00 C ATOM 1161 O ARG A 73 -4.160 9.390 7.416 1.00 0.00 O ATOM 1162 CB ARG A 73 -4.814 11.162 5.048 1.00 0.00 C ATOM 1163 CG ARG A 73 -4.341 11.120 3.594 1.00 0.00 C ATOM 1164 CD ARG A 73 -5.472 11.591 2.676 1.00 0.00 C ATOM 1165 NE ARG A 73 -5.252 13.055 2.516 1.00 0.00 N ATOM 1166 CZ ARG A 73 -4.754 13.522 1.403 1.00 0.00 C ATOM 1167 NH1 ARG A 73 -5.424 13.405 0.288 1.00 0.00 N ATOM 1168 NH2 ARG A 73 -3.588 14.107 1.405 1.00 0.00 N ATOM 0 H ARG A 73 -6.506 10.789 6.985 1.00 0.00 H new ATOM 0 HA ARG A 73 -5.639 9.206 4.548 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -5.550 11.955 5.179 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.977 11.393 5.707 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -3.466 11.757 3.467 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -4.040 10.107 3.327 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.439 11.079 1.714 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -6.448 11.384 3.114 1.00 0.00 H new ATOM 0 HE ARG A 73 -5.490 13.693 3.276 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -6.336 12.949 0.287 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -5.035 13.770 -0.581 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -3.065 14.200 2.276 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -3.199 14.472 0.536 1.00 0.00 H new ATOM 1182 N TYR A 74 -3.991 7.906 5.809 1.00 0.00 N ATOM 1183 CA TYR A 74 -3.062 7.074 6.619 1.00 0.00 C ATOM 1184 C TYR A 74 -1.669 7.053 5.986 1.00 0.00 C ATOM 1185 O TYR A 74 -1.519 6.937 4.786 1.00 0.00 O ATOM 1186 CB TYR A 74 -3.685 5.678 6.612 1.00 0.00 C ATOM 1187 CG TYR A 74 -5.188 5.792 6.769 1.00 0.00 C ATOM 1188 CD1 TYR A 74 -5.742 6.854 7.498 1.00 0.00 C ATOM 1189 CD2 TYR A 74 -6.026 4.839 6.178 1.00 0.00 C ATOM 1190 CE1 TYR A 74 -7.131 6.962 7.635 1.00 0.00 C ATOM 1191 CE2 TYR A 74 -7.415 4.948 6.315 1.00 0.00 C ATOM 1192 CZ TYR A 74 -7.969 6.009 7.043 1.00 0.00 C ATOM 1193 OH TYR A 74 -9.338 6.113 7.177 1.00 0.00 O ATOM 0 H TYR A 74 -4.208 7.540 4.882 1.00 0.00 H new ATOM 0 HA TYR A 74 -2.934 7.460 7.630 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -3.444 5.166 5.680 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -3.269 5.079 7.422 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -5.096 7.590 7.954 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.601 4.020 5.617 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -7.556 7.780 8.197 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.061 4.213 5.858 1.00 0.00 H new ATOM 0 HH TYR A 74 -9.770 5.371 6.704 1.00 0.00 H new ATOM 1203 N ILE A 75 -0.649 7.165 6.791 1.00 0.00 N ATOM 1204 CA ILE A 75 0.739 7.152 6.248 1.00 0.00 C ATOM 1205 C ILE A 75 1.602 6.177 7.054 1.00 0.00 C ATOM 1206 O ILE A 75 1.393 5.980 8.234 1.00 0.00 O ATOM 1207 CB ILE A 75 1.247 8.584 6.413 1.00 0.00 C ATOM 1208 CG1 ILE A 75 2.704 8.663 5.951 1.00 0.00 C ATOM 1209 CG2 ILE A 75 1.157 8.994 7.884 1.00 0.00 C ATOM 1210 CD1 ILE A 75 3.190 10.111 6.037 1.00 0.00 C ATOM 0 H ILE A 75 -0.717 7.265 7.804 1.00 0.00 H new ATOM 0 HA ILE A 75 0.776 6.830 5.207 1.00 0.00 H new ATOM 0 HB ILE A 75 0.636 9.257 5.812 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.329 8.021 6.572 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.792 8.299 4.927 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.520 10.015 8.000 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.120 8.937 8.215 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.767 8.322 8.487 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.228 10.167 5.708 1.00 0.00 H new ATOM 0 HD12 ILE A 75 2.572 10.741 5.397 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.117 10.459 7.067 1.00 0.00 H new ATOM 1222 N VAL A 76 2.568 5.562 6.429 1.00 0.00 N ATOM 1223 CA VAL A 76 3.434 4.601 7.167 1.00 0.00 C ATOM 1224 C VAL A 76 4.862 5.139 7.239 1.00 0.00 C ATOM 1225 O VAL A 76 5.384 5.674 6.281 1.00 0.00 O ATOM 1226 CB VAL A 76 3.385 3.308 6.351 1.00 0.00 C ATOM 1227 CG1 VAL A 76 2.058 2.592 6.610 1.00 0.00 C ATOM 1228 CG2 VAL A 76 3.504 3.638 4.862 1.00 0.00 C ATOM 0 H VAL A 76 2.794 5.683 5.442 1.00 0.00 H new ATOM 0 HA VAL A 76 3.099 4.442 8.192 1.00 0.00 H new ATOM 0 HB VAL A 76 4.211 2.661 6.646 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.022 1.671 6.029 1.00 0.00 H new ATOM 0 HG12 VAL A 76 1.973 2.356 7.671 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.232 3.239 6.315 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.469 2.716 4.281 1.00 0.00 H new ATOM 0 HG22 VAL A 76 2.679 4.285 4.566 1.00 0.00 H new ATOM 0 HG23 VAL A 76 4.449 4.148 4.677 1.00 0.00 H new ATOM 1238 N ASN A 77 5.495 5.013 8.371 1.00 0.00 N ATOM 1239 CA ASN A 77 6.888 5.529 8.504 1.00 0.00 C ATOM 1240 C ASN A 77 7.809 4.854 7.483 1.00 0.00 C ATOM 1241 O ASN A 77 7.676 3.684 7.186 1.00 0.00 O ATOM 1242 CB ASN A 77 7.306 5.172 9.931 1.00 0.00 C ATOM 1243 CG ASN A 77 6.520 6.031 10.924 1.00 0.00 C ATOM 1244 OD1 ASN A 77 5.969 7.050 10.559 1.00 0.00 O ATOM 1245 ND2 ASN A 77 6.445 5.660 12.173 1.00 0.00 N ATOM 0 H ASN A 77 5.111 4.576 9.209 1.00 0.00 H new ATOM 0 HA ASN A 77 6.950 6.601 8.318 1.00 0.00 H new ATOM 0 HB2 ASN A 77 7.120 4.115 10.122 1.00 0.00 H new ATOM 0 HB3 ASN A 77 8.376 5.336 10.060 1.00 0.00 H new ATOM 0 HD21 ASN A 77 5.924 6.226 12.843 1.00 0.00 H new ATOM 0 HD22 ASN A 77 6.908 4.804 12.479 1.00 0.00 H new ATOM 1252 N GLY A 78 8.744 5.587 6.941 1.00 0.00 N ATOM 1253 CA GLY A 78 9.676 4.991 5.942 1.00 0.00 C ATOM 1254 C GLY A 78 9.132 5.222 4.532 1.00 0.00 C ATOM 1255 O GLY A 78 7.937 5.253 4.316 1.00 0.00 O ATOM 0 H GLY A 78 8.902 6.573 7.147 1.00 0.00 H new ATOM 0 HA2 GLY A 78 10.665 5.439 6.039 1.00 0.00 H new ATOM 0 HA3 GLY A 78 9.791 3.923 6.128 1.00 0.00 H new ATOM 1259 N SER A 79 9.998 5.383 3.568 1.00 0.00 N ATOM 1260 CA SER A 79 9.521 5.609 2.175 1.00 0.00 C ATOM 1261 C SER A 79 9.760 4.365 1.320 1.00 0.00 C ATOM 1262 O SER A 79 10.874 3.909 1.159 1.00 0.00 O ATOM 1263 CB SER A 79 10.345 6.777 1.645 1.00 0.00 C ATOM 1264 OG SER A 79 11.728 6.497 1.821 1.00 0.00 O ATOM 0 H SER A 79 11.011 5.368 3.685 1.00 0.00 H new ATOM 0 HA SER A 79 8.452 5.819 2.146 1.00 0.00 H new ATOM 0 HB2 SER A 79 10.127 6.941 0.590 1.00 0.00 H new ATOM 0 HB3 SER A 79 10.078 7.693 2.172 1.00 0.00 H new ATOM 0 HG SER A 79 11.900 5.555 1.613 1.00 0.00 H new ATOM 1270 N HIS A 80 8.716 3.818 0.768 1.00 0.00 N ATOM 1271 CA HIS A 80 8.864 2.604 -0.086 1.00 0.00 C ATOM 1272 C HIS A 80 7.900 2.678 -1.273 1.00 0.00 C ATOM 1273 O HIS A 80 6.999 3.492 -1.302 1.00 0.00 O ATOM 1274 CB HIS A 80 8.512 1.420 0.821 1.00 0.00 C ATOM 1275 CG HIS A 80 7.646 1.883 1.962 1.00 0.00 C ATOM 1276 ND1 HIS A 80 8.173 2.498 3.087 1.00 0.00 N ATOM 1277 CD2 HIS A 80 6.289 1.830 2.165 1.00 0.00 C ATOM 1278 CE1 HIS A 80 7.147 2.787 3.909 1.00 0.00 C ATOM 1279 NE2 HIS A 80 5.977 2.401 3.394 1.00 0.00 N ATOM 0 H HIS A 80 7.760 4.160 0.871 1.00 0.00 H new ATOM 0 HA HIS A 80 9.870 2.510 -0.494 1.00 0.00 H new ATOM 0 HB2 HIS A 80 7.991 0.654 0.247 1.00 0.00 H new ATOM 0 HB3 HIS A 80 9.424 0.964 1.208 1.00 0.00 H new ATOM 0 HD1 HIS A 80 9.159 2.696 3.260 1.00 0.00 H new ATOM 0 HD2 HIS A 80 5.573 1.409 1.475 1.00 0.00 H new ATOM 0 HE1 HIS A 80 7.257 3.272 4.868 1.00 0.00 H new ATOM 1287 N GLU A 81 8.076 1.830 -2.248 1.00 0.00 N ATOM 1288 CA GLU A 81 7.160 1.852 -3.425 1.00 0.00 C ATOM 1289 C GLU A 81 6.131 0.732 -3.310 1.00 0.00 C ATOM 1290 O GLU A 81 6.340 -0.248 -2.625 1.00 0.00 O ATOM 1291 CB GLU A 81 8.052 1.608 -4.640 1.00 0.00 C ATOM 1292 CG GLU A 81 8.675 2.925 -5.094 1.00 0.00 C ATOM 1293 CD GLU A 81 10.178 2.734 -5.305 1.00 0.00 C ATOM 1294 OE1 GLU A 81 10.541 1.983 -6.195 1.00 0.00 O ATOM 1295 OE2 GLU A 81 10.942 3.343 -4.573 1.00 0.00 O ATOM 0 H GLU A 81 8.812 1.124 -2.282 1.00 0.00 H new ATOM 0 HA GLU A 81 6.617 2.794 -3.496 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.835 0.891 -4.391 1.00 0.00 H new ATOM 0 HB3 GLU A 81 7.468 1.173 -5.451 1.00 0.00 H new ATOM 0 HG2 GLU A 81 8.207 3.261 -6.019 1.00 0.00 H new ATOM 0 HG3 GLU A 81 8.498 3.700 -4.348 1.00 0.00 H new ATOM 1302 N ALA A 82 5.026 0.862 -3.984 1.00 0.00 N ATOM 1303 CA ALA A 82 3.996 -0.206 -3.921 1.00 0.00 C ATOM 1304 C ALA A 82 4.638 -1.552 -4.259 1.00 0.00 C ATOM 1305 O ALA A 82 4.412 -2.546 -3.596 1.00 0.00 O ATOM 1306 CB ALA A 82 2.979 0.185 -4.987 1.00 0.00 C ATOM 0 H ALA A 82 4.792 1.660 -4.575 1.00 0.00 H new ATOM 0 HA ALA A 82 3.539 -0.304 -2.936 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.176 -0.552 -5.012 1.00 0.00 H new ATOM 0 HB2 ALA A 82 2.564 1.165 -4.752 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.468 0.222 -5.960 1.00 0.00 H new ATOM 1312 N ASN A 83 5.450 -1.585 -5.280 1.00 0.00 N ATOM 1313 CA ASN A 83 6.125 -2.858 -5.658 1.00 0.00 C ATOM 1314 C ASN A 83 7.092 -3.281 -4.552 1.00 0.00 C ATOM 1315 O ASN A 83 7.277 -4.451 -4.284 1.00 0.00 O ATOM 1316 CB ASN A 83 6.884 -2.539 -6.947 1.00 0.00 C ATOM 1317 CG ASN A 83 6.065 -3.007 -8.151 1.00 0.00 C ATOM 1318 OD1 ASN A 83 6.500 -3.856 -8.902 1.00 0.00 O ATOM 1319 ND2 ASN A 83 4.890 -2.483 -8.367 1.00 0.00 N ATOM 0 H ASN A 83 5.675 -0.784 -5.869 1.00 0.00 H new ATOM 0 HA ASN A 83 5.421 -3.678 -5.798 1.00 0.00 H new ATOM 0 HB2 ASN A 83 7.071 -1.467 -7.016 1.00 0.00 H new ATOM 0 HB3 ASN A 83 7.856 -3.033 -6.941 1.00 0.00 H new ATOM 0 HD21 ASN A 83 4.336 -2.787 -9.168 1.00 0.00 H new ATOM 0 HD22 ASN A 83 4.526 -1.770 -7.735 1.00 0.00 H new ATOM 1326 N LYS A 84 7.712 -2.329 -3.913 1.00 0.00 N ATOM 1327 CA LYS A 84 8.675 -2.662 -2.823 1.00 0.00 C ATOM 1328 C LYS A 84 7.974 -3.448 -1.712 1.00 0.00 C ATOM 1329 O LYS A 84 8.540 -4.349 -1.125 1.00 0.00 O ATOM 1330 CB LYS A 84 9.160 -1.310 -2.299 1.00 0.00 C ATOM 1331 CG LYS A 84 10.395 -1.517 -1.418 1.00 0.00 C ATOM 1332 CD LYS A 84 11.641 -1.611 -2.300 1.00 0.00 C ATOM 1333 CE LYS A 84 12.885 -1.303 -1.462 1.00 0.00 C ATOM 1334 NZ LYS A 84 13.041 0.176 -1.534 1.00 0.00 N ATOM 0 H LYS A 84 7.594 -1.333 -4.098 1.00 0.00 H new ATOM 0 HA LYS A 84 9.498 -3.284 -3.177 1.00 0.00 H new ATOM 0 HB2 LYS A 84 9.401 -0.650 -3.132 1.00 0.00 H new ATOM 0 HB3 LYS A 84 8.369 -0.825 -1.727 1.00 0.00 H new ATOM 0 HG2 LYS A 84 10.496 -0.690 -0.715 1.00 0.00 H new ATOM 0 HG3 LYS A 84 10.285 -2.426 -0.827 1.00 0.00 H new ATOM 0 HD2 LYS A 84 11.719 -2.608 -2.733 1.00 0.00 H new ATOM 0 HD3 LYS A 84 11.566 -0.909 -3.130 1.00 0.00 H new ATOM 0 HE2 LYS A 84 12.760 -1.637 -0.432 1.00 0.00 H new ATOM 0 HE3 LYS A 84 13.764 -1.812 -1.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 13.874 0.464 -0.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 13.165 0.464 -2.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 12.193 0.634 -1.144 1.00 0.00 H new ATOM 1348 N LEU A 85 6.746 -3.115 -1.415 1.00 0.00 N ATOM 1349 CA LEU A 85 6.019 -3.847 -0.339 1.00 0.00 C ATOM 1350 C LEU A 85 5.875 -5.326 -0.708 1.00 0.00 C ATOM 1351 O LEU A 85 6.100 -6.204 0.102 1.00 0.00 O ATOM 1352 CB LEU A 85 4.646 -3.176 -0.266 1.00 0.00 C ATOM 1353 CG LEU A 85 4.727 -1.927 0.617 1.00 0.00 C ATOM 1354 CD1 LEU A 85 6.048 -1.200 0.364 1.00 0.00 C ATOM 1355 CD2 LEU A 85 3.561 -0.993 0.281 1.00 0.00 C ATOM 0 H LEU A 85 6.217 -2.371 -1.869 1.00 0.00 H new ATOM 0 HA LEU A 85 6.544 -3.809 0.615 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.310 -2.904 -1.267 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.912 -3.872 0.139 1.00 0.00 H new ATOM 0 HG LEU A 85 4.673 -2.221 1.665 1.00 0.00 H new ATOM 0 HD11 LEU A 85 6.101 -0.312 0.994 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.880 -1.864 0.601 1.00 0.00 H new ATOM 0 HD13 LEU A 85 6.106 -0.905 -0.684 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.616 -0.103 0.908 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.618 -0.702 -0.768 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.618 -1.508 0.464 1.00 0.00 H new ATOM 1367 N GLN A 86 5.505 -5.610 -1.926 1.00 0.00 N ATOM 1368 CA GLN A 86 5.351 -7.033 -2.348 1.00 0.00 C ATOM 1369 C GLN A 86 6.720 -7.717 -2.414 1.00 0.00 C ATOM 1370 O GLN A 86 6.896 -8.824 -1.943 1.00 0.00 O ATOM 1371 CB GLN A 86 4.717 -6.967 -3.738 1.00 0.00 C ATOM 1372 CG GLN A 86 3.453 -7.829 -3.764 1.00 0.00 C ATOM 1373 CD GLN A 86 2.239 -6.968 -3.405 1.00 0.00 C ATOM 1374 OE1 GLN A 86 1.423 -7.357 -2.595 1.00 0.00 O ATOM 1375 NE2 GLN A 86 2.087 -5.807 -3.981 1.00 0.00 N ATOM 0 H GLN A 86 5.302 -4.919 -2.648 1.00 0.00 H new ATOM 0 HA GLN A 86 4.743 -7.608 -1.649 1.00 0.00 H new ATOM 0 HB2 GLN A 86 4.471 -5.935 -3.989 1.00 0.00 H new ATOM 0 HB3 GLN A 86 5.425 -7.318 -4.489 1.00 0.00 H new ATOM 0 HG2 GLN A 86 3.320 -8.269 -4.752 1.00 0.00 H new ATOM 0 HG3 GLN A 86 3.548 -8.654 -3.058 1.00 0.00 H new ATOM 0 HE21 GLN A 86 2.774 -5.481 -4.661 1.00 0.00 H new ATOM 0 HE22 GLN A 86 1.282 -5.225 -3.751 1.00 0.00 H new ATOM 1384 N ASP A 87 7.688 -7.067 -2.999 1.00 0.00 N ATOM 1385 CA ASP A 87 9.046 -7.675 -3.103 1.00 0.00 C ATOM 1386 C ASP A 87 9.662 -7.860 -1.713 1.00 0.00 C ATOM 1387 O ASP A 87 10.364 -8.817 -1.457 1.00 0.00 O ATOM 1388 CB ASP A 87 9.865 -6.676 -3.922 1.00 0.00 C ATOM 1389 CG ASP A 87 10.242 -7.305 -5.266 1.00 0.00 C ATOM 1390 OD1 ASP A 87 9.375 -7.898 -5.884 1.00 0.00 O ATOM 1391 OD2 ASP A 87 11.392 -7.181 -5.652 1.00 0.00 O ATOM 0 H ASP A 87 7.597 -6.138 -3.411 1.00 0.00 H new ATOM 0 HA ASP A 87 9.017 -8.661 -3.567 1.00 0.00 H new ATOM 0 HB2 ASP A 87 9.290 -5.764 -4.084 1.00 0.00 H new ATOM 0 HB3 ASP A 87 10.765 -6.393 -3.376 1.00 0.00 H new