USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 411 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 44 GLN : amide:sc= 0.714 K(o=0.6,f=-1.9) USER MOD Set 1.2: A 48 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 51 GLN : amide:sc= -0.11 K(o=0.6,f=-1.9) USER MOD Set 2.1: A 38 ASN : amide:sc= -0.242 X(o=-1.7,f=-1.3!) USER MOD Set 2.2: A 42 GLN : amide:sc= -1.43! K(o=-1.7!,f=-0.38) USER MOD Single : A 30 SER OG : rot 33:sc= 0.175 USER MOD Single : A 31 SER OG : rot 180:sc= 0.0195 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.00195 USER MOD Single : A 33 GLN : amide:sc= -2.41! X(o=-2.4!,f=-2.2) USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 MET CE :methyl 162:sc= -0.251 (180deg=-1.01) USER MOD Single : A 53 GLN : amide:sc= -0.75 K(o=-0.75,f=0) USER MOD Single : A 56 SER OG : rot 31:sc= 1 USER MOD Single : A 57 ASN : amide:sc= 1.24 K(o=1.2,f=-0.24) USER MOD Single : A 60 ASN : amide:sc= -1.71! K(o=-1.7!,f=-0.27) USER MOD Single : A 62 SER OG : rot 180:sc= 0.121 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0826) USER MOD Single : A 65 GLN : amide:sc= 0.968 K(o=0.97,f=-7.2!) USER MOD Single : A 67 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0654) USER MOD Single : A 68 THR OG1 : rot 97:sc= 1.21 USER MOD Single : A 71 GLN : amide:sc= -0.474 K(o=-0.47,f=-2.4!) USER MOD Single : A 72 ASN : amide:sc= 1.11 K(o=1.1,f=-0.028) USER MOD Single : A 73 GLN : amide:sc= -0.141 K(o=-0.14,f=-0.75) USER MOD Single : A 75 MET CE :methyl 178:sc= -0.675 (180deg=-0.724) USER MOD Single : A 76 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0561) USER MOD ----------------------------------------------------------------- ATOM 478 N SER A 30 8.569 -0.090 4.480 1.00 0.00 N ATOM 479 CA SER A 30 8.923 0.696 5.648 1.00 0.00 C ATOM 480 C SER A 30 7.654 1.118 6.375 1.00 0.00 C ATOM 481 O SER A 30 6.591 1.204 5.757 1.00 0.00 O ATOM 482 CB SER A 30 9.729 1.924 5.229 1.00 0.00 C ATOM 483 OG SER A 30 10.828 1.552 4.414 1.00 0.00 O ATOM 0 HA SER A 30 9.536 0.094 6.319 1.00 0.00 H new ATOM 0 HB2 SER A 30 9.087 2.618 4.687 1.00 0.00 H new ATOM 0 HB3 SER A 30 10.088 2.448 6.115 1.00 0.00 H new ATOM 0 HG SER A 30 10.585 0.772 3.873 1.00 0.00 H new ATOM 489 N SER A 31 7.763 1.371 7.674 1.00 0.00 N ATOM 490 CA SER A 31 6.616 1.773 8.480 1.00 0.00 C ATOM 491 C SER A 31 5.888 2.950 7.837 1.00 0.00 C ATOM 492 O SER A 31 4.670 2.931 7.696 1.00 0.00 O ATOM 493 CB SER A 31 7.086 2.145 9.884 1.00 0.00 C ATOM 494 OG SER A 31 7.993 1.176 10.378 1.00 0.00 O ATOM 0 H SER A 31 8.638 1.304 8.194 1.00 0.00 H new ATOM 0 HA SER A 31 5.918 0.938 8.541 1.00 0.00 H new ATOM 0 HB2 SER A 31 7.565 3.124 9.866 1.00 0.00 H new ATOM 0 HB3 SER A 31 6.228 2.222 10.552 1.00 0.00 H new ATOM 0 HG SER A 31 8.286 1.431 11.278 1.00 0.00 H new ATOM 500 N THR A 32 6.652 3.950 7.410 1.00 0.00 N ATOM 501 CA THR A 32 6.091 5.131 6.771 1.00 0.00 C ATOM 502 C THR A 32 5.302 4.765 5.514 1.00 0.00 C ATOM 503 O THR A 32 4.214 5.292 5.280 1.00 0.00 O ATOM 504 CB THR A 32 7.206 6.124 6.406 1.00 0.00 C ATOM 505 OG1 THR A 32 8.079 6.292 7.530 1.00 0.00 O ATOM 506 CG2 THR A 32 6.630 7.473 6.007 1.00 0.00 C ATOM 0 H THR A 32 7.668 3.964 7.497 1.00 0.00 H new ATOM 0 HA THR A 32 5.409 5.595 7.483 1.00 0.00 H new ATOM 0 HB THR A 32 7.760 5.723 5.557 1.00 0.00 H new ATOM 0 HG1 THR A 32 8.792 6.924 7.299 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.442 8.155 5.754 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.978 7.349 5.142 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.057 7.884 6.838 1.00 0.00 H new ATOM 514 N GLN A 33 5.837 3.841 4.722 1.00 0.00 N ATOM 515 CA GLN A 33 5.187 3.433 3.483 1.00 0.00 C ATOM 516 C GLN A 33 3.891 2.692 3.798 1.00 0.00 C ATOM 517 O GLN A 33 2.854 2.932 3.177 1.00 0.00 O ATOM 518 CB GLN A 33 6.109 2.534 2.648 1.00 0.00 C ATOM 519 CG GLN A 33 7.544 3.034 2.539 1.00 0.00 C ATOM 520 CD GLN A 33 7.647 4.464 2.041 1.00 0.00 C ATOM 521 OE1 GLN A 33 7.640 5.407 2.830 1.00 0.00 O ATOM 522 NE2 GLN A 33 7.750 4.635 0.733 1.00 0.00 N ATOM 0 H GLN A 33 6.717 3.362 4.916 1.00 0.00 H new ATOM 0 HA GLN A 33 4.964 4.329 2.903 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.117 1.536 3.086 1.00 0.00 H new ATOM 0 HB3 GLN A 33 5.693 2.439 1.645 1.00 0.00 H new ATOM 0 HG2 GLN A 33 8.021 2.962 3.516 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.098 2.381 1.865 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.752 3.826 0.112 1.00 0.00 H new ATOM 0 HE22 GLN A 33 7.827 5.576 0.346 1.00 0.00 H new ATOM 531 N LEU A 34 3.965 1.794 4.774 1.00 0.00 N ATOM 532 CA LEU A 34 2.799 1.042 5.223 1.00 0.00 C ATOM 533 C LEU A 34 1.766 1.969 5.857 1.00 0.00 C ATOM 534 O LEU A 34 0.560 1.777 5.686 1.00 0.00 O ATOM 535 CB LEU A 34 3.218 -0.042 6.219 1.00 0.00 C ATOM 536 CG LEU A 34 4.121 -1.140 5.651 1.00 0.00 C ATOM 537 CD1 LEU A 34 4.551 -2.095 6.751 1.00 0.00 C ATOM 538 CD2 LEU A 34 3.402 -1.899 4.547 1.00 0.00 C ATOM 0 H LEU A 34 4.826 1.568 5.272 1.00 0.00 H new ATOM 0 HA LEU A 34 2.345 0.566 4.354 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.734 0.434 7.053 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.319 -0.507 6.624 1.00 0.00 H new ATOM 0 HG LEU A 34 5.010 -0.671 5.230 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.192 -2.869 6.330 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.100 -1.546 7.516 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.670 -2.556 7.197 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.057 -2.676 4.153 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.498 -2.356 4.949 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.135 -1.210 3.746 1.00 0.00 H new ATOM 550 N CYS A 35 2.244 2.973 6.579 1.00 0.00 N ATOM 551 CA CYS A 35 1.376 3.965 7.199 1.00 0.00 C ATOM 552 C CYS A 35 0.523 4.660 6.144 1.00 0.00 C ATOM 553 O CYS A 35 -0.689 4.788 6.306 1.00 0.00 O ATOM 554 CB CYS A 35 2.212 4.990 7.967 1.00 0.00 C ATOM 555 SG CYS A 35 1.244 6.232 8.852 1.00 0.00 S ATOM 0 H CYS A 35 3.238 3.123 6.751 1.00 0.00 H new ATOM 0 HA CYS A 35 0.712 3.458 7.900 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.844 4.463 8.682 1.00 0.00 H new ATOM 0 HB3 CYS A 35 2.877 5.496 7.267 1.00 0.00 H new ATOM 0 HG CYS A 35 2.046 7.048 9.469 1.00 0.00 H new ATOM 561 N VAL A 36 1.157 5.078 5.052 1.00 0.00 N ATOM 562 CA VAL A 36 0.450 5.744 3.964 1.00 0.00 C ATOM 563 C VAL A 36 -0.625 4.827 3.386 1.00 0.00 C ATOM 564 O VAL A 36 -1.747 5.257 3.114 1.00 0.00 O ATOM 565 CB VAL A 36 1.418 6.173 2.837 1.00 0.00 C ATOM 566 CG1 VAL A 36 0.663 6.837 1.694 1.00 0.00 C ATOM 567 CG2 VAL A 36 2.486 7.113 3.377 1.00 0.00 C ATOM 0 H VAL A 36 2.159 4.967 4.898 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.016 6.638 4.378 1.00 0.00 H new ATOM 0 HB VAL A 36 1.903 5.276 2.452 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.367 7.129 0.914 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.064 6.137 1.283 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.145 7.721 2.065 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.157 7.404 2.569 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.012 8.002 3.792 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.055 6.607 4.157 1.00 0.00 H new ATOM 577 N LEU A 37 -0.280 3.558 3.222 1.00 0.00 N ATOM 578 CA LEU A 37 -1.219 2.573 2.701 1.00 0.00 C ATOM 579 C LEU A 37 -2.389 2.380 3.661 1.00 0.00 C ATOM 580 O LEU A 37 -3.550 2.406 3.252 1.00 0.00 O ATOM 581 CB LEU A 37 -0.513 1.237 2.458 1.00 0.00 C ATOM 582 CG LEU A 37 0.620 1.286 1.432 1.00 0.00 C ATOM 583 CD1 LEU A 37 1.295 -0.070 1.318 1.00 0.00 C ATOM 584 CD2 LEU A 37 0.099 1.738 0.075 1.00 0.00 C ATOM 0 H LEU A 37 0.644 3.185 3.442 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.607 2.944 1.752 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.111 0.877 3.405 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.252 0.507 2.128 1.00 0.00 H new ATOM 0 HG LEU A 37 1.358 2.012 1.774 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.098 -0.016 0.583 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.707 -0.354 2.286 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.564 -0.815 1.002 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.922 1.766 -0.640 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.661 1.039 -0.274 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.337 2.733 0.166 1.00 0.00 H new ATOM 596 N ASN A 38 -2.074 2.222 4.941 1.00 0.00 N ATOM 597 CA ASN A 38 -3.086 1.959 5.963 1.00 0.00 C ATOM 598 C ASN A 38 -3.994 3.170 6.133 1.00 0.00 C ATOM 599 O ASN A 38 -5.214 3.036 6.185 1.00 0.00 O ATOM 600 CB ASN A 38 -2.406 1.609 7.298 1.00 0.00 C ATOM 601 CG ASN A 38 -3.363 1.071 8.358 1.00 0.00 C ATOM 602 OD1 ASN A 38 -4.548 1.408 8.393 1.00 0.00 O ATOM 603 ND2 ASN A 38 -2.841 0.233 9.244 1.00 0.00 N ATOM 0 H ASN A 38 -1.120 2.271 5.300 1.00 0.00 H new ATOM 0 HA ASN A 38 -3.695 1.113 5.646 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -1.628 0.867 7.115 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -1.912 2.499 7.687 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -3.425 -0.155 9.985 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -1.856 -0.024 9.184 1.00 0.00 H new ATOM 610 N ASP A 39 -3.388 4.349 6.191 1.00 0.00 N ATOM 611 CA ASP A 39 -4.126 5.594 6.383 1.00 0.00 C ATOM 612 C ASP A 39 -5.144 5.807 5.269 1.00 0.00 C ATOM 613 O ASP A 39 -6.314 6.095 5.527 1.00 0.00 O ATOM 614 CB ASP A 39 -3.154 6.778 6.433 1.00 0.00 C ATOM 615 CG ASP A 39 -3.859 8.118 6.543 1.00 0.00 C ATOM 616 OD1 ASP A 39 -4.336 8.632 5.506 1.00 0.00 O ATOM 617 OD2 ASP A 39 -3.935 8.672 7.661 1.00 0.00 O ATOM 0 H ASP A 39 -2.379 4.471 6.107 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.664 5.526 7.329 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.483 6.655 7.284 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.535 6.771 5.536 1.00 0.00 H new ATOM 622 N ARG A 40 -4.698 5.643 4.030 1.00 0.00 N ATOM 623 CA ARG A 40 -5.550 5.879 2.870 1.00 0.00 C ATOM 624 C ARG A 40 -6.706 4.886 2.827 1.00 0.00 C ATOM 625 O ARG A 40 -7.856 5.277 2.626 1.00 0.00 O ATOM 626 CB ARG A 40 -4.734 5.813 1.573 1.00 0.00 C ATOM 627 CG ARG A 40 -4.040 7.121 1.204 1.00 0.00 C ATOM 628 CD ARG A 40 -3.265 7.715 2.372 1.00 0.00 C ATOM 629 NE ARG A 40 -2.422 8.839 1.968 1.00 0.00 N ATOM 630 CZ ARG A 40 -2.185 9.903 2.734 1.00 0.00 C ATOM 631 NH1 ARG A 40 -2.760 10.022 3.919 1.00 0.00 N ATOM 632 NH2 ARG A 40 -1.360 10.854 2.317 1.00 0.00 N ATOM 0 H ARG A 40 -3.749 5.347 3.802 1.00 0.00 H new ATOM 0 HA ARG A 40 -5.969 6.881 2.962 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.982 5.030 1.670 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.394 5.522 0.756 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.359 6.946 0.371 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.784 7.840 0.862 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -3.966 8.047 3.138 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.643 6.942 2.823 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.990 8.807 1.045 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.392 9.295 4.255 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -2.572 10.841 4.497 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.905 10.772 1.408 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -1.180 11.668 2.906 1.00 0.00 H new ATOM 646 N PHE A 41 -6.402 3.609 3.046 1.00 0.00 N ATOM 647 CA PHE A 41 -7.424 2.564 3.047 1.00 0.00 C ATOM 648 C PHE A 41 -8.338 2.687 4.267 1.00 0.00 C ATOM 649 O PHE A 41 -9.459 2.172 4.279 1.00 0.00 O ATOM 650 CB PHE A 41 -6.780 1.178 2.994 1.00 0.00 C ATOM 651 CG PHE A 41 -6.265 0.843 1.628 1.00 0.00 C ATOM 652 CD1 PHE A 41 -7.071 1.037 0.522 1.00 0.00 C ATOM 653 CD2 PHE A 41 -4.983 0.352 1.444 1.00 0.00 C ATOM 654 CE1 PHE A 41 -6.618 0.746 -0.741 1.00 0.00 C ATOM 655 CE2 PHE A 41 -4.520 0.057 0.176 1.00 0.00 C ATOM 656 CZ PHE A 41 -5.339 0.257 -0.920 1.00 0.00 C ATOM 0 H PHE A 41 -5.456 3.272 3.225 1.00 0.00 H new ATOM 0 HA PHE A 41 -8.036 2.694 2.154 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -5.960 1.133 3.710 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -7.510 0.428 3.299 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -8.071 1.423 0.653 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -4.340 0.199 2.298 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -7.262 0.900 -1.594 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -3.520 -0.329 0.041 1.00 0.00 H new ATOM 0 HZ PHE A 41 -4.979 0.031 -1.913 1.00 0.00 H new ATOM 666 N GLN A 42 -7.849 3.362 5.298 1.00 0.00 N ATOM 667 CA GLN A 42 -8.634 3.588 6.503 1.00 0.00 C ATOM 668 C GLN A 42 -9.702 4.651 6.250 1.00 0.00 C ATOM 669 O GLN A 42 -10.781 4.617 6.843 1.00 0.00 O ATOM 670 CB GLN A 42 -7.727 4.029 7.655 1.00 0.00 C ATOM 671 CG GLN A 42 -8.357 3.863 9.030 1.00 0.00 C ATOM 672 CD GLN A 42 -8.505 2.407 9.433 1.00 0.00 C ATOM 673 OE1 GLN A 42 -9.434 2.038 10.153 1.00 0.00 O ATOM 674 NE2 GLN A 42 -7.576 1.573 8.994 1.00 0.00 N ATOM 0 H GLN A 42 -6.911 3.763 5.324 1.00 0.00 H new ATOM 0 HA GLN A 42 -9.123 2.652 6.775 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.802 3.454 7.618 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -7.458 5.076 7.513 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.747 4.381 9.770 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -9.337 4.339 9.036 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.822 1.917 8.399 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.614 0.586 9.250 1.00 0.00 H new ATOM 683 N ARG A 43 -9.398 5.588 5.360 1.00 0.00 N ATOM 684 CA ARG A 43 -10.324 6.671 5.048 1.00 0.00 C ATOM 685 C ARG A 43 -11.241 6.269 3.899 1.00 0.00 C ATOM 686 O ARG A 43 -12.445 6.519 3.938 1.00 0.00 O ATOM 687 CB ARG A 43 -9.557 7.945 4.687 1.00 0.00 C ATOM 688 CG ARG A 43 -8.513 8.337 5.721 1.00 0.00 C ATOM 689 CD ARG A 43 -7.858 9.667 5.390 1.00 0.00 C ATOM 690 NE ARG A 43 -6.645 9.878 6.176 1.00 0.00 N ATOM 691 CZ ARG A 43 -6.423 10.926 6.966 1.00 0.00 C ATOM 692 NH1 ARG A 43 -7.326 11.896 7.077 1.00 0.00 N ATOM 693 NH2 ARG A 43 -5.288 10.997 7.648 1.00 0.00 N ATOM 0 H ARG A 43 -8.520 5.620 4.842 1.00 0.00 H new ATOM 0 HA ARG A 43 -10.932 6.869 5.931 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -9.068 7.804 3.723 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -10.265 8.765 4.568 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -8.981 8.397 6.704 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -7.750 7.561 5.778 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -7.615 9.699 4.328 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.562 10.477 5.581 1.00 0.00 H new ATOM 0 HE ARG A 43 -5.914 9.170 6.115 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -8.200 11.842 6.554 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -7.145 12.694 7.686 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -4.595 10.253 7.564 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -5.108 11.796 8.256 1.00 0.00 H new ATOM 707 N GLN A 44 -10.659 5.649 2.881 1.00 0.00 N ATOM 708 CA GLN A 44 -11.415 5.159 1.737 1.00 0.00 C ATOM 709 C GLN A 44 -11.062 3.704 1.477 1.00 0.00 C ATOM 710 O GLN A 44 -9.893 3.329 1.520 1.00 0.00 O ATOM 711 CB GLN A 44 -11.140 6.014 0.493 1.00 0.00 C ATOM 712 CG GLN A 44 -11.730 7.417 0.581 1.00 0.00 C ATOM 713 CD GLN A 44 -11.416 8.272 -0.632 1.00 0.00 C ATOM 714 OE1 GLN A 44 -11.237 7.766 -1.741 1.00 0.00 O ATOM 715 NE2 GLN A 44 -11.376 9.578 -0.433 1.00 0.00 N ATOM 0 H GLN A 44 -9.656 5.473 2.825 1.00 0.00 H new ATOM 0 HA GLN A 44 -12.479 5.232 1.961 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -10.063 6.089 0.344 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -11.549 5.510 -0.383 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -12.811 7.343 0.696 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -11.347 7.910 1.475 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -11.530 9.956 0.502 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -11.191 10.207 -1.214 1.00 0.00 H new ATOM 724 N LYS A 45 -12.076 2.898 1.203 1.00 0.00 N ATOM 725 CA LYS A 45 -11.910 1.451 1.098 1.00 0.00 C ATOM 726 C LYS A 45 -10.998 1.070 -0.060 1.00 0.00 C ATOM 727 O LYS A 45 -10.144 0.197 0.076 1.00 0.00 O ATOM 728 CB LYS A 45 -13.274 0.778 0.943 1.00 0.00 C ATOM 729 CG LYS A 45 -14.213 1.065 2.101 1.00 0.00 C ATOM 730 CD LYS A 45 -15.579 0.439 1.893 1.00 0.00 C ATOM 731 CE LYS A 45 -16.502 0.759 3.055 1.00 0.00 C ATOM 732 NZ LYS A 45 -17.842 0.147 2.885 1.00 0.00 N ATOM 0 H LYS A 45 -13.031 3.222 1.048 1.00 0.00 H new ATOM 0 HA LYS A 45 -11.437 1.102 2.016 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.736 1.116 0.015 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.133 -0.299 0.855 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -13.777 0.685 3.025 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -14.322 2.143 2.221 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -16.015 0.807 0.964 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -15.477 -0.641 1.791 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -16.055 0.401 3.982 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -16.606 1.840 3.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -18.441 0.390 3.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -18.280 0.508 2.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -17.746 -0.887 2.822 1.00 0.00 H new ATOM 746 N TYR A 46 -11.184 1.719 -1.198 1.00 0.00 N ATOM 747 CA TYR A 46 -10.337 1.473 -2.356 1.00 0.00 C ATOM 748 C TYR A 46 -9.942 2.785 -3.016 1.00 0.00 C ATOM 749 O TYR A 46 -10.690 3.763 -2.969 1.00 0.00 O ATOM 750 CB TYR A 46 -11.032 0.556 -3.363 1.00 0.00 C ATOM 751 CG TYR A 46 -11.173 -0.874 -2.887 1.00 0.00 C ATOM 752 CD1 TYR A 46 -10.071 -1.577 -2.415 1.00 0.00 C ATOM 753 CD2 TYR A 46 -12.405 -1.518 -2.900 1.00 0.00 C ATOM 754 CE1 TYR A 46 -10.190 -2.881 -1.976 1.00 0.00 C ATOM 755 CE2 TYR A 46 -12.530 -2.823 -2.464 1.00 0.00 C ATOM 756 CZ TYR A 46 -11.421 -3.499 -2.001 1.00 0.00 C ATOM 757 OH TYR A 46 -11.543 -4.799 -1.564 1.00 0.00 O ATOM 0 H TYR A 46 -11.912 2.418 -1.346 1.00 0.00 H new ATOM 0 HA TYR A 46 -9.434 0.971 -2.010 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -12.022 0.956 -3.582 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -10.470 0.565 -4.297 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -9.105 -1.095 -2.391 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -13.277 -0.990 -3.256 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -9.323 -3.414 -1.615 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -13.493 -3.312 -2.486 1.00 0.00 H new ATOM 0 HH TYR A 46 -12.477 -5.086 -1.646 1.00 0.00 H new ATOM 767 N LEU A 47 -8.769 2.796 -3.630 1.00 0.00 N ATOM 768 CA LEU A 47 -8.226 4.005 -4.236 1.00 0.00 C ATOM 769 C LEU A 47 -8.831 4.261 -5.611 1.00 0.00 C ATOM 770 O LEU A 47 -9.187 3.323 -6.331 1.00 0.00 O ATOM 771 CB LEU A 47 -6.708 3.892 -4.355 1.00 0.00 C ATOM 772 CG LEU A 47 -5.968 3.684 -3.034 1.00 0.00 C ATOM 773 CD1 LEU A 47 -4.481 3.502 -3.280 1.00 0.00 C ATOM 774 CD2 LEU A 47 -6.213 4.850 -2.087 1.00 0.00 C ATOM 0 H LEU A 47 -8.170 1.976 -3.723 1.00 0.00 H new ATOM 0 HA LEU A 47 -8.483 4.845 -3.591 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.472 3.062 -5.020 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -6.328 4.797 -4.828 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.355 2.779 -2.566 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.970 3.355 -2.328 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.321 2.631 -3.916 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.082 4.389 -3.773 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.676 4.680 -1.154 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.858 5.773 -2.546 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -7.280 4.934 -1.882 1.00 0.00 H new ATOM 786 N SER A 48 -8.939 5.534 -5.966 1.00 0.00 N ATOM 787 CA SER A 48 -9.428 5.937 -7.270 1.00 0.00 C ATOM 788 C SER A 48 -8.310 5.834 -8.300 1.00 0.00 C ATOM 789 O SER A 48 -7.158 5.554 -7.961 1.00 0.00 O ATOM 790 CB SER A 48 -9.946 7.376 -7.216 1.00 0.00 C ATOM 791 OG SER A 48 -10.925 7.546 -6.205 1.00 0.00 O ATOM 0 H SER A 48 -8.690 6.313 -5.356 1.00 0.00 H new ATOM 0 HA SER A 48 -10.244 5.274 -7.558 1.00 0.00 H new ATOM 0 HB2 SER A 48 -9.113 8.055 -7.033 1.00 0.00 H new ATOM 0 HB3 SER A 48 -10.371 7.646 -8.183 1.00 0.00 H new ATOM 0 HG SER A 48 -11.231 8.477 -6.199 1.00 0.00 H new ATOM 797 N LEU A 49 -8.652 6.090 -9.547 1.00 0.00 N ATOM 798 CA LEU A 49 -7.683 6.041 -10.634 1.00 0.00 C ATOM 799 C LEU A 49 -6.675 7.172 -10.456 1.00 0.00 C ATOM 800 O LEU A 49 -5.467 6.979 -10.600 1.00 0.00 O ATOM 801 CB LEU A 49 -8.404 6.151 -11.989 1.00 0.00 C ATOM 802 CG LEU A 49 -7.622 5.671 -13.223 1.00 0.00 C ATOM 803 CD1 LEU A 49 -6.495 6.633 -13.582 1.00 0.00 C ATOM 804 CD2 LEU A 49 -7.072 4.269 -12.999 1.00 0.00 C ATOM 0 H LEU A 49 -9.598 6.336 -9.838 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.152 5.090 -10.614 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.331 5.581 -11.929 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.681 7.194 -12.145 1.00 0.00 H new ATOM 0 HG LEU A 49 -8.317 5.645 -14.062 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.965 6.261 -14.459 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -6.912 7.616 -13.800 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.802 6.710 -12.744 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.522 3.948 -13.884 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.403 4.274 -12.138 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.896 3.580 -12.814 1.00 0.00 H new ATOM 816 N GLN A 50 -7.181 8.345 -10.104 1.00 0.00 N ATOM 817 CA GLN A 50 -6.330 9.505 -9.873 1.00 0.00 C ATOM 818 C GLN A 50 -5.526 9.321 -8.588 1.00 0.00 C ATOM 819 O GLN A 50 -4.435 9.867 -8.437 1.00 0.00 O ATOM 820 CB GLN A 50 -7.177 10.776 -9.788 1.00 0.00 C ATOM 821 CG GLN A 50 -6.370 12.043 -9.543 1.00 0.00 C ATOM 822 CD GLN A 50 -7.250 13.267 -9.412 1.00 0.00 C ATOM 823 OE1 GLN A 50 -7.701 13.607 -8.320 1.00 0.00 O ATOM 824 NE2 GLN A 50 -7.491 13.943 -10.516 1.00 0.00 N ATOM 0 H GLN A 50 -8.177 8.520 -9.972 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.638 9.602 -10.709 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -7.738 10.889 -10.716 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -7.906 10.661 -8.986 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.778 11.925 -8.635 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.668 12.189 -10.364 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -7.098 13.628 -11.403 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -8.071 14.782 -10.484 1.00 0.00 H new ATOM 833 N GLN A 51 -6.071 8.536 -7.668 1.00 0.00 N ATOM 834 CA GLN A 51 -5.426 8.299 -6.387 1.00 0.00 C ATOM 835 C GLN A 51 -4.238 7.350 -6.517 1.00 0.00 C ATOM 836 O GLN A 51 -3.189 7.595 -5.930 1.00 0.00 O ATOM 837 CB GLN A 51 -6.432 7.749 -5.381 1.00 0.00 C ATOM 838 CG GLN A 51 -7.375 8.805 -4.831 1.00 0.00 C ATOM 839 CD GLN A 51 -8.416 8.229 -3.897 1.00 0.00 C ATOM 840 OE1 GLN A 51 -8.193 7.205 -3.255 1.00 0.00 O ATOM 841 NE2 GLN A 51 -9.562 8.881 -3.820 1.00 0.00 N ATOM 0 H GLN A 51 -6.961 8.052 -7.787 1.00 0.00 H new ATOM 0 HA GLN A 51 -5.047 9.256 -6.029 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -7.017 6.962 -5.857 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -5.892 7.288 -4.554 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -6.797 9.562 -4.301 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -7.874 9.307 -5.660 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -9.705 9.728 -4.371 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -10.304 8.538 -3.210 1.00 0.00 H new ATOM 850 N MET A 52 -4.395 6.275 -7.286 1.00 0.00 N ATOM 851 CA MET A 52 -3.316 5.297 -7.448 1.00 0.00 C ATOM 852 C MET A 52 -2.099 5.912 -8.149 1.00 0.00 C ATOM 853 O MET A 52 -0.962 5.626 -7.782 1.00 0.00 O ATOM 854 CB MET A 52 -3.804 4.040 -8.188 1.00 0.00 C ATOM 855 CG MET A 52 -4.324 4.288 -9.592 1.00 0.00 C ATOM 856 SD MET A 52 -4.952 2.785 -10.368 1.00 0.00 S ATOM 857 CE MET A 52 -6.278 2.354 -9.241 1.00 0.00 C ATOM 0 H MET A 52 -5.248 6.058 -7.802 1.00 0.00 H new ATOM 0 HA MET A 52 -3.002 4.994 -6.449 1.00 0.00 H new ATOM 0 HB2 MET A 52 -2.983 3.325 -8.241 1.00 0.00 H new ATOM 0 HB3 MET A 52 -4.595 3.574 -7.600 1.00 0.00 H new ATOM 0 HG2 MET A 52 -5.118 5.034 -9.556 1.00 0.00 H new ATOM 0 HG3 MET A 52 -3.524 4.703 -10.205 1.00 0.00 H new ATOM 0 HE1 MET A 52 -6.958 1.656 -9.729 1.00 0.00 H new ATOM 0 HE2 MET A 52 -5.860 1.889 -8.348 1.00 0.00 H new ATOM 0 HE3 MET A 52 -6.823 3.255 -8.959 1.00 0.00 H new ATOM 867 N GLN A 53 -2.335 6.776 -9.137 1.00 0.00 N ATOM 868 CA GLN A 53 -1.231 7.442 -9.827 1.00 0.00 C ATOM 869 C GLN A 53 -0.612 8.523 -8.943 1.00 0.00 C ATOM 870 O GLN A 53 0.596 8.769 -8.995 1.00 0.00 O ATOM 871 CB GLN A 53 -1.680 8.036 -11.168 1.00 0.00 C ATOM 872 CG GLN A 53 -2.849 9.000 -11.065 1.00 0.00 C ATOM 873 CD GLN A 53 -3.128 9.729 -12.366 1.00 0.00 C ATOM 874 OE1 GLN A 53 -3.627 10.855 -12.364 1.00 0.00 O ATOM 875 NE2 GLN A 53 -2.800 9.103 -13.488 1.00 0.00 N ATOM 0 H GLN A 53 -3.265 7.028 -9.473 1.00 0.00 H new ATOM 0 HA GLN A 53 -0.473 6.687 -10.035 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.836 8.554 -11.623 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -1.954 7.222 -11.839 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -3.741 8.451 -10.763 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -2.644 9.730 -10.282 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -2.388 8.170 -13.450 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -2.959 9.554 -14.389 1.00 0.00 H new ATOM 884 N GLU A 54 -1.434 9.161 -8.119 1.00 0.00 N ATOM 885 CA GLU A 54 -0.936 10.180 -7.209 1.00 0.00 C ATOM 886 C GLU A 54 -0.129 9.526 -6.096 1.00 0.00 C ATOM 887 O GLU A 54 0.899 10.046 -5.672 1.00 0.00 O ATOM 888 CB GLU A 54 -2.090 10.991 -6.618 1.00 0.00 C ATOM 889 CG GLU A 54 -1.650 12.303 -5.986 1.00 0.00 C ATOM 890 CD GLU A 54 -1.021 13.250 -6.993 1.00 0.00 C ATOM 891 OE1 GLU A 54 -1.767 13.815 -7.823 1.00 0.00 O ATOM 892 OE2 GLU A 54 0.212 13.438 -6.956 1.00 0.00 O ATOM 0 H GLU A 54 -2.438 8.992 -8.063 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.293 10.861 -7.767 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.816 11.201 -7.404 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.600 10.388 -5.866 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.511 12.787 -5.525 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.935 12.097 -5.189 1.00 0.00 H new ATOM 899 N LEU A 55 -0.597 8.366 -5.645 1.00 0.00 N ATOM 900 CA LEU A 55 0.078 7.620 -4.594 1.00 0.00 C ATOM 901 C LEU A 55 1.494 7.263 -5.019 1.00 0.00 C ATOM 902 O LEU A 55 2.448 7.464 -4.266 1.00 0.00 O ATOM 903 CB LEU A 55 -0.705 6.350 -4.248 1.00 0.00 C ATOM 904 CG LEU A 55 -0.213 5.607 -3.004 1.00 0.00 C ATOM 905 CD1 LEU A 55 -0.402 6.465 -1.763 1.00 0.00 C ATOM 906 CD2 LEU A 55 -0.937 4.279 -2.851 1.00 0.00 C ATOM 0 H LEU A 55 -1.446 7.922 -5.995 1.00 0.00 H new ATOM 0 HA LEU A 55 0.129 8.251 -3.706 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.753 6.615 -4.104 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.662 5.671 -5.100 1.00 0.00 H new ATOM 0 HG LEU A 55 0.851 5.404 -3.124 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.047 5.922 -0.887 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.165 7.390 -1.870 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.459 6.700 -1.640 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.573 3.766 -1.961 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.008 4.457 -2.754 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.750 3.660 -3.728 1.00 0.00 H new ATOM 918 N SER A 56 1.625 6.755 -6.235 1.00 0.00 N ATOM 919 CA SER A 56 2.933 6.414 -6.773 1.00 0.00 C ATOM 920 C SER A 56 3.824 7.651 -6.838 1.00 0.00 C ATOM 921 O SER A 56 5.017 7.585 -6.561 1.00 0.00 O ATOM 922 CB SER A 56 2.795 5.772 -8.155 1.00 0.00 C ATOM 923 OG SER A 56 1.803 6.414 -8.937 1.00 0.00 O ATOM 0 H SER A 56 0.845 6.570 -6.866 1.00 0.00 H new ATOM 0 HA SER A 56 3.402 5.690 -6.106 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.752 5.817 -8.674 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.543 4.718 -8.042 1.00 0.00 H new ATOM 0 HG SER A 56 1.754 7.361 -8.690 1.00 0.00 H new ATOM 929 N ASN A 57 3.215 8.784 -7.170 1.00 0.00 N ATOM 930 CA ASN A 57 3.930 10.052 -7.271 1.00 0.00 C ATOM 931 C ASN A 57 4.496 10.479 -5.914 1.00 0.00 C ATOM 932 O ASN A 57 5.610 10.996 -5.830 1.00 0.00 O ATOM 933 CB ASN A 57 2.986 11.133 -7.807 1.00 0.00 C ATOM 934 CG ASN A 57 3.639 12.500 -7.928 1.00 0.00 C ATOM 935 OD1 ASN A 57 4.832 12.617 -8.218 1.00 0.00 O ATOM 936 ND2 ASN A 57 2.857 13.544 -7.699 1.00 0.00 N ATOM 0 H ASN A 57 2.218 8.850 -7.376 1.00 0.00 H new ATOM 0 HA ASN A 57 4.766 9.921 -7.958 1.00 0.00 H new ATOM 0 HB2 ASN A 57 2.615 10.828 -8.786 1.00 0.00 H new ATOM 0 HB3 ASN A 57 2.121 11.209 -7.148 1.00 0.00 H new ATOM 0 HD21 ASN A 57 3.237 14.489 -7.760 1.00 0.00 H new ATOM 0 HD22 ASN A 57 1.875 13.403 -7.462 1.00 0.00 H new ATOM 943 N ILE A 58 3.729 10.244 -4.852 1.00 0.00 N ATOM 944 CA ILE A 58 4.132 10.637 -3.508 1.00 0.00 C ATOM 945 C ILE A 58 5.279 9.770 -3.000 1.00 0.00 C ATOM 946 O ILE A 58 6.247 10.272 -2.428 1.00 0.00 O ATOM 947 CB ILE A 58 2.954 10.539 -2.515 1.00 0.00 C ATOM 948 CG1 ILE A 58 1.746 11.302 -3.063 1.00 0.00 C ATOM 949 CG2 ILE A 58 3.360 11.077 -1.147 1.00 0.00 C ATOM 950 CD1 ILE A 58 0.558 11.342 -2.122 1.00 0.00 C ATOM 0 H ILE A 58 2.821 9.781 -4.899 1.00 0.00 H new ATOM 0 HA ILE A 58 4.463 11.674 -3.570 1.00 0.00 H new ATOM 0 HB ILE A 58 2.679 9.491 -2.396 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.049 12.324 -3.292 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.436 10.844 -4.002 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.517 11.000 -0.461 1.00 0.00 H new ATOM 0 HG22 ILE A 58 4.197 10.495 -0.761 1.00 0.00 H new ATOM 0 HG23 ILE A 58 3.657 12.122 -1.240 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.255 11.901 -2.586 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.226 10.325 -1.912 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.848 11.829 -1.191 1.00 0.00 H new ATOM 962 N LEU A 59 5.169 8.465 -3.218 1.00 0.00 N ATOM 963 CA LEU A 59 6.168 7.527 -2.717 1.00 0.00 C ATOM 964 C LEU A 59 7.304 7.332 -3.721 1.00 0.00 C ATOM 965 O LEU A 59 8.193 6.510 -3.505 1.00 0.00 O ATOM 966 CB LEU A 59 5.530 6.174 -2.367 1.00 0.00 C ATOM 967 CG LEU A 59 4.643 6.150 -1.111 1.00 0.00 C ATOM 968 CD1 LEU A 59 5.346 6.806 0.065 1.00 0.00 C ATOM 969 CD2 LEU A 59 3.302 6.818 -1.367 1.00 0.00 C ATOM 0 H LEU A 59 4.403 8.033 -3.735 1.00 0.00 H new ATOM 0 HA LEU A 59 6.588 7.957 -1.808 1.00 0.00 H new ATOM 0 HB2 LEU A 59 4.931 5.847 -3.217 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.327 5.442 -2.238 1.00 0.00 H new ATOM 0 HG LEU A 59 4.458 5.105 -0.862 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.697 6.776 0.940 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.271 6.271 0.281 1.00 0.00 H new ATOM 0 HD13 LEU A 59 5.575 7.843 -0.181 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.699 6.784 -0.459 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.462 7.856 -1.657 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.781 6.293 -2.168 1.00 0.00 H new ATOM 981 N ASN A 60 7.258 8.096 -4.812 1.00 0.00 N ATOM 982 CA ASN A 60 8.291 8.063 -5.858 1.00 0.00 C ATOM 983 C ASN A 60 8.389 6.667 -6.486 1.00 0.00 C ATOM 984 O ASN A 60 9.457 6.224 -6.915 1.00 0.00 O ATOM 985 CB ASN A 60 9.652 8.496 -5.292 1.00 0.00 C ATOM 986 CG ASN A 60 10.668 8.831 -6.378 1.00 0.00 C ATOM 987 OD1 ASN A 60 11.869 8.628 -6.204 1.00 0.00 O ATOM 988 ND2 ASN A 60 10.194 9.366 -7.497 1.00 0.00 N ATOM 0 H ASN A 60 6.504 8.757 -5.000 1.00 0.00 H new ATOM 0 HA ASN A 60 8.003 8.768 -6.638 1.00 0.00 H new ATOM 0 HB2 ASN A 60 9.513 9.367 -4.651 1.00 0.00 H new ATOM 0 HB3 ASN A 60 10.049 7.698 -4.664 1.00 0.00 H new ATOM 0 HD21 ASN A 60 10.833 9.624 -8.249 1.00 0.00 H new ATOM 0 HD22 ASN A 60 9.191 9.519 -7.604 1.00 0.00 H new ATOM 995 N LEU A 61 7.251 5.997 -6.560 1.00 0.00 N ATOM 996 CA LEU A 61 7.172 4.669 -7.148 1.00 0.00 C ATOM 997 C LEU A 61 6.431 4.730 -8.473 1.00 0.00 C ATOM 998 O LEU A 61 5.930 5.782 -8.870 1.00 0.00 O ATOM 999 CB LEU A 61 6.464 3.702 -6.196 1.00 0.00 C ATOM 1000 CG LEU A 61 7.186 3.438 -4.873 1.00 0.00 C ATOM 1001 CD1 LEU A 61 6.356 2.522 -3.986 1.00 0.00 C ATOM 1002 CD2 LEU A 61 8.557 2.828 -5.127 1.00 0.00 C ATOM 0 H LEU A 61 6.360 6.355 -6.216 1.00 0.00 H new ATOM 0 HA LEU A 61 8.185 4.306 -7.322 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.472 4.096 -5.977 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.323 2.751 -6.710 1.00 0.00 H new ATOM 0 HG LEU A 61 7.320 4.390 -4.359 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.885 2.345 -3.050 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.395 2.991 -3.777 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.193 1.572 -4.495 1.00 0.00 H new ATOM 0 HD21 LEU A 61 9.057 2.647 -4.175 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.442 1.885 -5.662 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.155 3.515 -5.726 1.00 0.00 H new ATOM 1014 N SER A 62 6.365 3.604 -9.155 1.00 0.00 N ATOM 1015 CA SER A 62 5.685 3.537 -10.428 1.00 0.00 C ATOM 1016 C SER A 62 4.184 3.377 -10.239 1.00 0.00 C ATOM 1017 O SER A 62 3.723 2.704 -9.311 1.00 0.00 O ATOM 1018 CB SER A 62 6.242 2.385 -11.261 1.00 0.00 C ATOM 1019 OG SER A 62 5.410 2.105 -12.377 1.00 0.00 O ATOM 0 H SER A 62 6.776 2.723 -8.846 1.00 0.00 H new ATOM 0 HA SER A 62 5.859 4.474 -10.958 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.245 2.635 -11.606 1.00 0.00 H new ATOM 0 HB3 SER A 62 6.332 1.494 -10.639 1.00 0.00 H new ATOM 0 HG SER A 62 5.792 1.365 -12.893 1.00 0.00 H new ATOM 1025 N TYR A 63 3.434 4.011 -11.125 1.00 0.00 N ATOM 1026 CA TYR A 63 1.990 3.875 -11.175 1.00 0.00 C ATOM 1027 C TYR A 63 1.604 2.416 -11.352 1.00 0.00 C ATOM 1028 O TYR A 63 0.631 1.954 -10.775 1.00 0.00 O ATOM 1029 CB TYR A 63 1.435 4.728 -12.322 1.00 0.00 C ATOM 1030 CG TYR A 63 0.078 4.297 -12.838 1.00 0.00 C ATOM 1031 CD1 TYR A 63 -1.083 4.529 -12.111 1.00 0.00 C ATOM 1032 CD2 TYR A 63 -0.036 3.654 -14.064 1.00 0.00 C ATOM 1033 CE1 TYR A 63 -2.318 4.136 -12.595 1.00 0.00 C ATOM 1034 CE2 TYR A 63 -1.264 3.262 -14.554 1.00 0.00 C ATOM 1035 CZ TYR A 63 -2.400 3.501 -13.817 1.00 0.00 C ATOM 1036 OH TYR A 63 -3.623 3.106 -14.310 1.00 0.00 O ATOM 0 H TYR A 63 3.814 4.638 -11.834 1.00 0.00 H new ATOM 0 HA TYR A 63 1.561 4.226 -10.236 1.00 0.00 H new ATOM 0 HB2 TYR A 63 1.368 5.763 -11.986 1.00 0.00 H new ATOM 0 HB3 TYR A 63 2.145 4.706 -13.148 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -1.020 5.024 -11.153 1.00 0.00 H new ATOM 0 HD2 TYR A 63 0.853 3.457 -14.644 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -3.212 4.325 -12.020 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -1.333 2.769 -15.513 1.00 0.00 H new ATOM 0 HH TYR A 63 -3.501 2.675 -15.182 1.00 0.00 H new ATOM 1046 N LYS A 64 2.392 1.691 -12.133 1.00 0.00 N ATOM 1047 CA LYS A 64 2.136 0.283 -12.375 1.00 0.00 C ATOM 1048 C LYS A 64 2.448 -0.545 -11.138 1.00 0.00 C ATOM 1049 O LYS A 64 1.815 -1.572 -10.899 1.00 0.00 O ATOM 1050 CB LYS A 64 2.935 -0.209 -13.580 1.00 0.00 C ATOM 1051 CG LYS A 64 2.224 0.026 -14.902 1.00 0.00 C ATOM 1052 CD LYS A 64 3.120 -0.281 -16.089 1.00 0.00 C ATOM 1053 CE LYS A 64 2.324 -0.378 -17.382 1.00 0.00 C ATOM 1054 NZ LYS A 64 1.425 0.793 -17.587 1.00 0.00 N ATOM 0 H LYS A 64 3.216 2.058 -12.610 1.00 0.00 H new ATOM 0 HA LYS A 64 1.076 0.162 -12.599 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.901 0.296 -13.599 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.134 -1.274 -13.466 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.331 -0.598 -14.950 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.892 1.063 -14.956 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.877 0.497 -16.185 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.647 -1.219 -15.915 1.00 0.00 H new ATOM 0 HE2 LYS A 64 3.012 -0.456 -18.224 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.729 -1.291 -17.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.075 0.794 -18.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 0.620 0.732 -16.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 1.952 1.671 -17.407 1.00 0.00 H new ATOM 1068 N GLN A 65 3.414 -0.092 -10.344 1.00 0.00 N ATOM 1069 CA GLN A 65 3.708 -0.739 -9.071 1.00 0.00 C ATOM 1070 C GLN A 65 2.518 -0.591 -8.131 1.00 0.00 C ATOM 1071 O GLN A 65 2.107 -1.550 -7.477 1.00 0.00 O ATOM 1072 CB GLN A 65 4.961 -0.146 -8.416 1.00 0.00 C ATOM 1073 CG GLN A 65 6.247 -0.410 -9.180 1.00 0.00 C ATOM 1074 CD GLN A 65 7.471 0.137 -8.465 1.00 0.00 C ATOM 1075 OE1 GLN A 65 7.844 1.294 -8.649 1.00 0.00 O ATOM 1076 NE2 GLN A 65 8.112 -0.693 -7.654 1.00 0.00 N ATOM 0 H GLN A 65 4.002 0.714 -10.558 1.00 0.00 H new ATOM 0 HA GLN A 65 3.896 -1.795 -9.266 1.00 0.00 H new ATOM 0 HB2 GLN A 65 4.828 0.931 -8.312 1.00 0.00 H new ATOM 0 HB3 GLN A 65 5.059 -0.554 -7.410 1.00 0.00 H new ATOM 0 HG2 GLN A 65 6.365 -1.484 -9.326 1.00 0.00 H new ATOM 0 HG3 GLN A 65 6.177 0.041 -10.170 1.00 0.00 H new ATOM 0 HE21 GLN A 65 7.772 -1.646 -7.527 1.00 0.00 H new ATOM 0 HE22 GLN A 65 8.945 -0.378 -7.157 1.00 0.00 H new ATOM 1085 N VAL A 66 1.950 0.610 -8.091 1.00 0.00 N ATOM 1086 CA VAL A 66 0.806 0.881 -7.223 1.00 0.00 C ATOM 1087 C VAL A 66 -0.453 0.189 -7.758 1.00 0.00 C ATOM 1088 O VAL A 66 -1.191 -0.462 -7.015 1.00 0.00 O ATOM 1089 CB VAL A 66 0.548 2.394 -7.086 1.00 0.00 C ATOM 1090 CG1 VAL A 66 -0.711 2.662 -6.271 1.00 0.00 C ATOM 1091 CG2 VAL A 66 1.750 3.069 -6.447 1.00 0.00 C ATOM 0 H VAL A 66 2.260 1.408 -8.646 1.00 0.00 H new ATOM 0 HA VAL A 66 1.044 0.483 -6.237 1.00 0.00 H new ATOM 0 HB VAL A 66 0.396 2.810 -8.082 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.870 3.737 -6.190 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.568 2.205 -6.765 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.597 2.236 -5.274 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.560 4.138 -6.354 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.923 2.644 -5.459 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.630 2.910 -7.070 1.00 0.00 H new ATOM 1101 N LYS A 67 -0.658 0.323 -9.062 1.00 0.00 N ATOM 1102 CA LYS A 67 -1.818 -0.229 -9.757 1.00 0.00 C ATOM 1103 C LYS A 67 -1.905 -1.743 -9.581 1.00 0.00 C ATOM 1104 O LYS A 67 -2.978 -2.288 -9.311 1.00 0.00 O ATOM 1105 CB LYS A 67 -1.726 0.163 -11.247 1.00 0.00 C ATOM 1106 CG LYS A 67 -2.792 -0.426 -12.163 1.00 0.00 C ATOM 1107 CD LYS A 67 -2.388 -1.795 -12.693 1.00 0.00 C ATOM 1108 CE LYS A 67 -3.263 -2.235 -13.855 1.00 0.00 C ATOM 1109 NZ LYS A 67 -4.710 -2.186 -13.518 1.00 0.00 N ATOM 0 H LYS A 67 -0.016 0.824 -9.676 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.731 0.183 -9.328 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.774 1.250 -11.319 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -0.748 -0.138 -11.621 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -3.733 -0.510 -11.619 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -2.967 0.251 -13.000 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -1.347 -1.767 -13.013 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -2.455 -2.529 -11.890 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -3.070 -1.595 -14.716 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -2.994 -3.250 -14.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -5.258 -2.650 -14.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -4.873 -2.678 -12.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -5.013 -1.195 -13.431 1.00 0.00 H new ATOM 1123 N THR A 68 -0.774 -2.413 -9.722 1.00 0.00 N ATOM 1124 CA THR A 68 -0.735 -3.863 -9.646 1.00 0.00 C ATOM 1125 C THR A 68 -0.875 -4.342 -8.203 1.00 0.00 C ATOM 1126 O THR A 68 -1.563 -5.332 -7.936 1.00 0.00 O ATOM 1127 CB THR A 68 0.566 -4.415 -10.266 1.00 0.00 C ATOM 1128 OG1 THR A 68 0.710 -3.920 -11.604 1.00 0.00 O ATOM 1129 CG2 THR A 68 0.567 -5.936 -10.287 1.00 0.00 C ATOM 0 H THR A 68 0.131 -1.975 -9.890 1.00 0.00 H new ATOM 0 HA THR A 68 -1.580 -4.244 -10.219 1.00 0.00 H new ATOM 0 HB THR A 68 1.402 -4.080 -9.652 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.293 -3.132 -11.600 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.497 -6.293 -10.730 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.481 -6.314 -9.268 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.277 -6.292 -10.878 1.00 0.00 H new ATOM 1137 N TRP A 69 -0.244 -3.632 -7.270 1.00 0.00 N ATOM 1138 CA TRP A 69 -0.334 -3.991 -5.859 1.00 0.00 C ATOM 1139 C TRP A 69 -1.777 -3.880 -5.385 1.00 0.00 C ATOM 1140 O TRP A 69 -2.316 -4.806 -4.779 1.00 0.00 O ATOM 1141 CB TRP A 69 0.571 -3.092 -5.009 1.00 0.00 C ATOM 1142 CG TRP A 69 0.636 -3.508 -3.570 1.00 0.00 C ATOM 1143 CD1 TRP A 69 1.470 -4.444 -3.028 1.00 0.00 C ATOM 1144 CD2 TRP A 69 -0.158 -3.004 -2.489 1.00 0.00 C ATOM 1145 NE1 TRP A 69 1.236 -4.559 -1.679 1.00 0.00 N ATOM 1146 CE2 TRP A 69 0.242 -3.685 -1.324 1.00 0.00 C ATOM 1147 CE3 TRP A 69 -1.171 -2.043 -2.393 1.00 0.00 C ATOM 1148 CZ2 TRP A 69 -0.334 -3.438 -0.080 1.00 0.00 C ATOM 1149 CZ3 TRP A 69 -1.742 -1.799 -1.157 1.00 0.00 C ATOM 1150 CH2 TRP A 69 -1.322 -2.494 -0.016 1.00 0.00 C ATOM 0 H TRP A 69 0.330 -2.812 -7.464 1.00 0.00 H new ATOM 0 HA TRP A 69 0.002 -5.021 -5.743 1.00 0.00 H new ATOM 0 HB2 TRP A 69 1.577 -3.100 -5.428 1.00 0.00 H new ATOM 0 HB3 TRP A 69 0.210 -2.065 -5.067 1.00 0.00 H new ATOM 0 HD1 TRP A 69 2.206 -5.011 -3.579 1.00 0.00 H new ATOM 0 HE1 TRP A 69 1.723 -5.192 -1.045 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -1.501 -1.502 -3.268 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 -0.012 -3.972 0.802 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -2.525 -1.060 -1.070 1.00 0.00 H new ATOM 0 HH2 TRP A 69 -1.788 -2.280 0.935 1.00 0.00 H new ATOM 1161 N PHE A 70 -2.395 -2.744 -5.688 1.00 0.00 N ATOM 1162 CA PHE A 70 -3.787 -2.491 -5.334 1.00 0.00 C ATOM 1163 C PHE A 70 -4.702 -3.594 -5.860 1.00 0.00 C ATOM 1164 O PHE A 70 -5.603 -4.059 -5.156 1.00 0.00 O ATOM 1165 CB PHE A 70 -4.218 -1.131 -5.893 1.00 0.00 C ATOM 1166 CG PHE A 70 -5.704 -0.905 -5.889 1.00 0.00 C ATOM 1167 CD1 PHE A 70 -6.371 -0.577 -4.720 1.00 0.00 C ATOM 1168 CD2 PHE A 70 -6.431 -1.026 -7.064 1.00 0.00 C ATOM 1169 CE1 PHE A 70 -7.739 -0.375 -4.724 1.00 0.00 C ATOM 1170 CE2 PHE A 70 -7.795 -0.827 -7.073 1.00 0.00 C ATOM 1171 CZ PHE A 70 -8.450 -0.501 -5.904 1.00 0.00 C ATOM 0 H PHE A 70 -1.947 -1.974 -6.185 1.00 0.00 H new ATOM 0 HA PHE A 70 -3.871 -2.481 -4.247 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -3.741 -0.343 -5.310 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -3.851 -1.038 -6.915 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.818 -0.478 -3.798 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -5.922 -1.279 -7.983 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -8.251 -0.119 -3.808 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -8.350 -0.926 -7.994 1.00 0.00 H new ATOM 0 HZ PHE A 70 -9.519 -0.344 -5.910 1.00 0.00 H new ATOM 1181 N GLN A 71 -4.459 -4.017 -7.093 1.00 0.00 N ATOM 1182 CA GLN A 71 -5.288 -5.029 -7.728 1.00 0.00 C ATOM 1183 C GLN A 71 -5.154 -6.373 -7.008 1.00 0.00 C ATOM 1184 O GLN A 71 -6.149 -7.018 -6.694 1.00 0.00 O ATOM 1185 CB GLN A 71 -4.903 -5.171 -9.198 1.00 0.00 C ATOM 1186 CG GLN A 71 -5.890 -5.991 -10.010 1.00 0.00 C ATOM 1187 CD GLN A 71 -7.311 -5.478 -9.890 1.00 0.00 C ATOM 1188 OE1 GLN A 71 -8.079 -5.928 -9.041 1.00 0.00 O ATOM 1189 NE2 GLN A 71 -7.666 -4.516 -10.723 1.00 0.00 N ATOM 0 H GLN A 71 -3.693 -3.674 -7.673 1.00 0.00 H new ATOM 0 HA GLN A 71 -6.330 -4.714 -7.664 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -4.818 -4.178 -9.640 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -3.918 -5.634 -9.264 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -5.591 -5.980 -11.058 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -5.853 -7.029 -9.679 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -7.001 -4.169 -11.414 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -8.605 -4.121 -10.675 1.00 0.00 H new ATOM 1198 N ASN A 72 -3.921 -6.766 -6.723 1.00 0.00 N ATOM 1199 CA ASN A 72 -3.648 -8.040 -6.063 1.00 0.00 C ATOM 1200 C ASN A 72 -4.191 -8.035 -4.646 1.00 0.00 C ATOM 1201 O ASN A 72 -4.732 -9.037 -4.174 1.00 0.00 O ATOM 1202 CB ASN A 72 -2.144 -8.337 -6.047 1.00 0.00 C ATOM 1203 CG ASN A 72 -1.646 -8.903 -7.363 1.00 0.00 C ATOM 1204 OD1 ASN A 72 -1.629 -10.113 -7.560 1.00 0.00 O ATOM 1205 ND2 ASN A 72 -1.245 -8.035 -8.278 1.00 0.00 N ATOM 0 H ASN A 72 -3.088 -6.219 -6.939 1.00 0.00 H new ATOM 0 HA ASN A 72 -4.150 -8.824 -6.629 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.599 -7.421 -5.821 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -1.926 -9.044 -5.246 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -0.908 -8.366 -9.182 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -1.273 -7.035 -8.079 1.00 0.00 H new ATOM 1212 N GLN A 73 -4.057 -6.897 -3.982 1.00 0.00 N ATOM 1213 CA GLN A 73 -4.553 -6.743 -2.627 1.00 0.00 C ATOM 1214 C GLN A 73 -6.061 -6.962 -2.585 1.00 0.00 C ATOM 1215 O GLN A 73 -6.564 -7.724 -1.758 1.00 0.00 O ATOM 1216 CB GLN A 73 -4.198 -5.358 -2.079 1.00 0.00 C ATOM 1217 CG GLN A 73 -4.558 -5.172 -0.614 1.00 0.00 C ATOM 1218 CD GLN A 73 -3.862 -6.169 0.293 1.00 0.00 C ATOM 1219 OE1 GLN A 73 -2.762 -6.636 0.003 1.00 0.00 O ATOM 1220 NE2 GLN A 73 -4.507 -6.501 1.399 1.00 0.00 N ATOM 0 H GLN A 73 -3.607 -6.065 -4.363 1.00 0.00 H new ATOM 0 HA GLN A 73 -4.076 -7.494 -1.998 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -3.129 -5.190 -2.206 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -4.712 -4.600 -2.670 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -4.294 -4.161 -0.305 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -5.637 -5.270 -0.494 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -5.418 -6.089 1.601 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -4.093 -7.169 2.050 1.00 0.00 H new ATOM 1229 N ARG A 74 -6.786 -6.310 -3.489 1.00 0.00 N ATOM 1230 CA ARG A 74 -8.231 -6.470 -3.526 1.00 0.00 C ATOM 1231 C ARG A 74 -8.617 -7.848 -4.065 1.00 0.00 C ATOM 1232 O ARG A 74 -9.694 -8.355 -3.752 1.00 0.00 O ATOM 1233 CB ARG A 74 -8.923 -5.360 -4.331 1.00 0.00 C ATOM 1234 CG ARG A 74 -8.714 -5.427 -5.835 1.00 0.00 C ATOM 1235 CD ARG A 74 -9.795 -4.647 -6.571 1.00 0.00 C ATOM 1236 NE ARG A 74 -11.126 -5.195 -6.298 1.00 0.00 N ATOM 1237 CZ ARG A 74 -12.271 -4.643 -6.704 1.00 0.00 C ATOM 1238 NH1 ARG A 74 -12.272 -3.514 -7.402 1.00 0.00 N ATOM 1239 NH2 ARG A 74 -13.427 -5.227 -6.409 1.00 0.00 N ATOM 0 H ARG A 74 -6.404 -5.678 -4.192 1.00 0.00 H new ATOM 0 HA ARG A 74 -8.582 -6.387 -2.497 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -9.993 -5.398 -4.127 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -8.564 -4.395 -3.973 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -7.733 -5.024 -6.088 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -8.725 -6.467 -6.161 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -9.761 -3.600 -6.268 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -9.601 -4.675 -7.643 1.00 0.00 H new ATOM 0 HE ARG A 74 -11.181 -6.060 -5.760 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -11.390 -3.057 -7.634 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -13.155 -3.103 -7.706 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -13.438 -6.095 -5.873 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -14.304 -4.807 -6.718 1.00 0.00 H new ATOM 1253 N MET A 75 -7.743 -8.460 -4.873 1.00 0.00 N ATOM 1254 CA MET A 75 -8.010 -9.816 -5.360 1.00 0.00 C ATOM 1255 C MET A 75 -7.973 -10.816 -4.214 1.00 0.00 C ATOM 1256 O MET A 75 -8.834 -11.694 -4.122 1.00 0.00 O ATOM 1257 CB MET A 75 -7.033 -10.241 -6.460 1.00 0.00 C ATOM 1258 CG MET A 75 -7.310 -9.587 -7.804 1.00 0.00 C ATOM 1259 SD MET A 75 -6.529 -10.451 -9.181 1.00 0.00 S ATOM 1260 CE MET A 75 -4.800 -10.327 -8.736 1.00 0.00 C ATOM 0 H MET A 75 -6.867 -8.050 -5.196 1.00 0.00 H new ATOM 0 HA MET A 75 -9.010 -9.805 -5.795 1.00 0.00 H new ATOM 0 HB2 MET A 75 -6.018 -9.995 -6.148 1.00 0.00 H new ATOM 0 HB3 MET A 75 -7.078 -11.324 -6.576 1.00 0.00 H new ATOM 0 HG2 MET A 75 -8.387 -9.550 -7.969 1.00 0.00 H new ATOM 0 HG3 MET A 75 -6.956 -8.557 -7.781 1.00 0.00 H new ATOM 0 HE1 MET A 75 -4.195 -10.848 -9.478 1.00 0.00 H new ATOM 0 HE2 MET A 75 -4.507 -9.278 -8.702 1.00 0.00 H new ATOM 0 HE3 MET A 75 -4.643 -10.779 -7.757 1.00 0.00 H new ATOM 1270 N LYS A 76 -6.985 -10.663 -3.336 1.00 0.00 N ATOM 1271 CA LYS A 76 -6.871 -11.498 -2.143 1.00 0.00 C ATOM 1272 C LYS A 76 -8.124 -11.377 -1.282 1.00 0.00 C ATOM 1273 O LYS A 76 -8.568 -12.347 -0.667 1.00 0.00 O ATOM 1274 CB LYS A 76 -5.657 -11.077 -1.309 1.00 0.00 C ATOM 1275 CG LYS A 76 -4.313 -11.360 -1.957 1.00 0.00 C ATOM 1276 CD LYS A 76 -3.192 -10.702 -1.170 1.00 0.00 C ATOM 1277 CE LYS A 76 -1.820 -11.112 -1.676 1.00 0.00 C ATOM 1278 NZ LYS A 76 -1.496 -12.525 -1.337 1.00 0.00 N ATOM 0 H LYS A 76 -6.248 -9.964 -3.429 1.00 0.00 H new ATOM 0 HA LYS A 76 -6.751 -12.531 -2.469 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -5.728 -10.009 -1.103 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.697 -11.591 -0.348 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -4.147 -12.436 -2.007 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -4.312 -10.989 -2.982 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.292 -9.619 -1.234 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -3.284 -10.969 -0.117 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -1.779 -10.981 -2.757 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.064 -10.454 -1.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.499 -12.717 -1.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.657 -12.684 -0.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -2.105 -13.163 -1.888 1.00 0.00 H new