USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=13 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 72 ASN : amide:sc= 0.497 K(o=0.5,f=-1.4) USER MOD Set 1.2: A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 50 GLN : amide:sc= 1.14 K(o=1.1,f=2.2) USER MOD Set 2.2: A 53 GLN : amide:sc= -0.0755 K(o=1.1,f=2.2) USER MOD Set 3.1: A 44 GLN : amide:sc= -2.49! K(o=-2.7!,f=-0.84) USER MOD Set 3.2: A 48 SER OG : rot 75:sc= 0.633 USER MOD Set 3.3: A 51 GLN : amide:sc= -0.89 K(o=-2.7,f=-6.3!) USER MOD Set 4.1: A 30 SER OG : rot 18:sc= 0.934 USER MOD Set 4.2: A 33 GLN : amide:sc= 0.596 K(o=1.5,f=0.77) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0238 USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 42 GLN : amide:sc= -0.134 X(o=-0.13,f=-0.33) 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 52 MET CE :methyl 160:sc= -0.13 (180deg=-0.635) USER MOD Single : A 56 SER OG : rot 81:sc= 0.213 USER MOD Single : A 57 ASN : amide:sc= -0.0233 X(o=-0.023,f=0) USER MOD Single : A 60 ASN : amide:sc= -0.498! X(o=-0.5!,f=-0.16) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= -0.181 USER MOD Single : A 64 LYS NZ :NH3+ 170:sc= -0.0308 (180deg=-0.202) USER MOD Single : A 65 GLN : amide:sc= -0.0998 K(o=-0.1,f=-0.7) USER MOD Single : A 67 LYS NZ :NH3+ -170:sc= -0.014 (180deg=-0.149) USER MOD Single : A 68 THR OG1 : rot 69:sc= 1.26 USER MOD Single : A 71 GLN : amide:sc= -0.53 K(o=-0.53,f=-7.2!) USER MOD Single : A 73 GLN : amide:sc= -0.317 K(o=-0.32,f=-1.1) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 478 N SER A 30 8.287 -0.545 4.344 1.00 0.00 N ATOM 479 CA SER A 30 8.582 0.090 5.620 1.00 0.00 C ATOM 480 C SER A 30 7.299 0.374 6.399 1.00 0.00 C ATOM 481 O SER A 30 6.230 0.544 5.809 1.00 0.00 O ATOM 482 CB SER A 30 9.345 1.389 5.377 1.00 0.00 C ATOM 483 OG SER A 30 10.340 1.214 4.377 1.00 0.00 O ATOM 0 HA SER A 30 9.195 -0.588 6.214 1.00 0.00 H new ATOM 0 HB2 SER A 30 8.650 2.172 5.071 1.00 0.00 H new ATOM 0 HB3 SER A 30 9.811 1.721 6.305 1.00 0.00 H new ATOM 0 HG SER A 30 10.150 0.400 3.865 1.00 0.00 H new ATOM 489 N SER A 31 7.422 0.448 7.722 1.00 0.00 N ATOM 490 CA SER A 31 6.280 0.708 8.595 1.00 0.00 C ATOM 491 C SER A 31 5.669 2.076 8.282 1.00 0.00 C ATOM 492 O SER A 31 4.470 2.291 8.459 1.00 0.00 O ATOM 493 CB SER A 31 6.715 0.635 10.065 1.00 0.00 C ATOM 494 OG SER A 31 5.604 0.666 10.947 1.00 0.00 O ATOM 0 H SER A 31 8.307 0.331 8.215 1.00 0.00 H new ATOM 0 HA SER A 31 5.521 -0.054 8.418 1.00 0.00 H new ATOM 0 HB2 SER A 31 7.284 -0.280 10.230 1.00 0.00 H new ATOM 0 HB3 SER A 31 7.380 1.469 10.289 1.00 0.00 H new ATOM 0 HG SER A 31 5.920 0.616 11.873 1.00 0.00 H new ATOM 500 N THR A 32 6.503 2.993 7.804 1.00 0.00 N ATOM 501 CA THR A 32 6.053 4.319 7.414 1.00 0.00 C ATOM 502 C THR A 32 5.256 4.259 6.112 1.00 0.00 C ATOM 503 O THR A 32 4.170 4.833 6.006 1.00 0.00 O ATOM 504 CB THR A 32 7.259 5.258 7.235 1.00 0.00 C ATOM 505 OG1 THR A 32 8.274 4.596 6.466 1.00 0.00 O ATOM 506 CG2 THR A 32 7.829 5.676 8.581 1.00 0.00 C ATOM 0 H THR A 32 7.503 2.837 7.678 1.00 0.00 H new ATOM 0 HA THR A 32 5.408 4.704 8.204 1.00 0.00 H new ATOM 0 HB THR A 32 6.924 6.153 6.711 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.041 5.196 6.351 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.680 6.339 8.426 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.063 6.197 9.155 1.00 0.00 H new ATOM 0 HG23 THR A 32 8.154 4.792 9.129 1.00 0.00 H new ATOM 514 N GLN A 33 5.798 3.540 5.135 1.00 0.00 N ATOM 515 CA GLN A 33 5.155 3.384 3.837 1.00 0.00 C ATOM 516 C GLN A 33 3.825 2.648 3.975 1.00 0.00 C ATOM 517 O GLN A 33 2.842 3.000 3.326 1.00 0.00 O ATOM 518 CB GLN A 33 6.082 2.643 2.869 1.00 0.00 C ATOM 519 CG GLN A 33 7.343 3.424 2.520 1.00 0.00 C ATOM 520 CD GLN A 33 8.181 2.747 1.451 1.00 0.00 C ATOM 521 OE1 GLN A 33 7.960 2.951 0.260 1.00 0.00 O ATOM 522 NE2 GLN A 33 9.174 1.973 1.862 1.00 0.00 N ATOM 0 H GLN A 33 6.690 3.052 5.220 1.00 0.00 H new ATOM 0 HA GLN A 33 4.953 4.376 3.434 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.366 1.687 3.310 1.00 0.00 H new ATOM 0 HB3 GLN A 33 5.536 2.422 1.952 1.00 0.00 H new ATOM 0 HG2 GLN A 33 7.064 4.421 2.178 1.00 0.00 H new ATOM 0 HG3 GLN A 33 7.945 3.552 3.419 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.327 1.827 2.860 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.786 1.523 1.181 1.00 0.00 H new ATOM 531 N LEU A 34 3.800 1.638 4.837 1.00 0.00 N ATOM 532 CA LEU A 34 2.576 0.889 5.109 1.00 0.00 C ATOM 533 C LEU A 34 1.522 1.789 5.742 1.00 0.00 C ATOM 534 O LEU A 34 0.328 1.640 5.484 1.00 0.00 O ATOM 535 CB LEU A 34 2.870 -0.301 6.026 1.00 0.00 C ATOM 536 CG LEU A 34 3.743 -1.394 5.409 1.00 0.00 C ATOM 537 CD1 LEU A 34 4.051 -2.472 6.435 1.00 0.00 C ATOM 538 CD2 LEU A 34 3.058 -2.001 4.193 1.00 0.00 C ATOM 0 H LEU A 34 4.614 1.317 5.361 1.00 0.00 H new ATOM 0 HA LEU A 34 2.189 0.516 4.161 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.359 0.067 6.928 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.923 -0.745 6.335 1.00 0.00 H new ATOM 0 HG LEU A 34 4.682 -0.943 5.088 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.673 -3.242 5.978 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.581 -2.030 7.279 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.120 -2.918 6.785 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.694 -2.777 3.767 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.105 -2.437 4.492 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.884 -1.225 3.448 1.00 0.00 H new ATOM 550 N CYS A 35 1.971 2.736 6.554 1.00 0.00 N ATOM 551 CA CYS A 35 1.067 3.677 7.199 1.00 0.00 C ATOM 552 C CYS A 35 0.382 4.556 6.157 1.00 0.00 C ATOM 553 O CYS A 35 -0.795 4.876 6.288 1.00 0.00 O ATOM 554 CB CYS A 35 1.828 4.541 8.209 1.00 0.00 C ATOM 555 SG CYS A 35 0.777 5.622 9.210 1.00 0.00 S ATOM 0 H CYS A 35 2.956 2.873 6.782 1.00 0.00 H new ATOM 0 HA CYS A 35 0.302 3.112 7.732 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.394 3.888 8.873 1.00 0.00 H new ATOM 0 HB3 CYS A 35 2.552 5.154 7.672 1.00 0.00 H new ATOM 0 HG CYS A 35 1.516 6.307 10.031 1.00 0.00 H new ATOM 561 N VAL A 36 1.119 4.920 5.111 1.00 0.00 N ATOM 562 CA VAL A 36 0.569 5.736 4.030 1.00 0.00 C ATOM 563 C VAL A 36 -0.503 4.958 3.262 1.00 0.00 C ATOM 564 O VAL A 36 -1.523 5.516 2.847 1.00 0.00 O ATOM 565 CB VAL A 36 1.672 6.194 3.050 1.00 0.00 C ATOM 566 CG1 VAL A 36 1.102 7.119 1.980 1.00 0.00 C ATOM 567 CG2 VAL A 36 2.799 6.880 3.803 1.00 0.00 C ATOM 0 H VAL A 36 2.099 4.663 4.988 1.00 0.00 H new ATOM 0 HA VAL A 36 0.121 6.620 4.485 1.00 0.00 H new ATOM 0 HB VAL A 36 2.073 5.311 2.553 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.899 7.427 1.303 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.331 6.593 1.417 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.668 7.999 2.454 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.568 7.196 3.098 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.408 7.751 4.329 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.231 6.185 4.523 1.00 0.00 H new ATOM 577 N LEU A 37 -0.264 3.666 3.085 1.00 0.00 N ATOM 578 CA LEU A 37 -1.216 2.791 2.411 1.00 0.00 C ATOM 579 C LEU A 37 -2.479 2.635 3.258 1.00 0.00 C ATOM 580 O LEU A 37 -3.603 2.710 2.751 1.00 0.00 O ATOM 581 CB LEU A 37 -0.583 1.421 2.143 1.00 0.00 C ATOM 582 CG LEU A 37 0.709 1.452 1.324 1.00 0.00 C ATOM 583 CD1 LEU A 37 1.293 0.055 1.198 1.00 0.00 C ATOM 584 CD2 LEU A 37 0.457 2.044 -0.053 1.00 0.00 C ATOM 0 H LEU A 37 0.585 3.198 3.400 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.488 3.240 1.456 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.377 0.940 3.099 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.310 0.798 1.622 1.00 0.00 H new ATOM 0 HG LEU A 37 1.428 2.084 1.845 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.211 0.096 0.612 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.513 -0.338 2.191 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.574 -0.596 0.700 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.388 2.057 -0.619 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.280 1.438 -0.580 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.082 3.062 0.052 1.00 0.00 H new ATOM 596 N ASN A 38 -2.276 2.448 4.556 1.00 0.00 N ATOM 597 CA ASN A 38 -3.379 2.309 5.501 1.00 0.00 C ATOM 598 C ASN A 38 -4.164 3.607 5.589 1.00 0.00 C ATOM 599 O ASN A 38 -5.390 3.596 5.572 1.00 0.00 O ATOM 600 CB ASN A 38 -2.849 1.907 6.885 1.00 0.00 C ATOM 601 CG ASN A 38 -3.945 1.803 7.931 1.00 0.00 C ATOM 602 OD1 ASN A 38 -4.247 2.767 8.629 1.00 0.00 O ATOM 603 ND2 ASN A 38 -4.541 0.627 8.052 1.00 0.00 N ATOM 0 H ASN A 38 -1.351 2.389 4.982 1.00 0.00 H new ATOM 0 HA ASN A 38 -4.046 1.524 5.145 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -2.336 0.948 6.807 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -2.110 2.639 7.212 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -5.279 0.498 8.744 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -4.262 -0.150 7.453 1.00 0.00 H new ATOM 610 N ASP A 39 -3.441 4.724 5.653 1.00 0.00 N ATOM 611 CA ASP A 39 -4.057 6.047 5.709 1.00 0.00 C ATOM 612 C ASP A 39 -4.994 6.248 4.526 1.00 0.00 C ATOM 613 O ASP A 39 -6.100 6.762 4.675 1.00 0.00 O ATOM 614 CB ASP A 39 -2.979 7.136 5.710 1.00 0.00 C ATOM 615 CG ASP A 39 -3.556 8.532 5.849 1.00 0.00 C ATOM 616 OD1 ASP A 39 -3.863 9.159 4.816 1.00 0.00 O ATOM 617 OD2 ASP A 39 -3.687 9.012 6.996 1.00 0.00 O ATOM 0 H ASP A 39 -2.421 4.737 5.667 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.634 6.118 6.631 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.283 6.952 6.529 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.406 7.075 4.785 1.00 0.00 H new ATOM 622 N ARG A 40 -4.551 5.802 3.354 1.00 0.00 N ATOM 623 CA ARG A 40 -5.358 5.868 2.141 1.00 0.00 C ATOM 624 C ARG A 40 -6.701 5.180 2.344 1.00 0.00 C ATOM 625 O ARG A 40 -7.749 5.744 2.026 1.00 0.00 O ATOM 626 CB ARG A 40 -4.617 5.213 0.975 1.00 0.00 C ATOM 627 CG ARG A 40 -4.043 6.199 -0.030 1.00 0.00 C ATOM 628 CD ARG A 40 -3.166 7.248 0.634 1.00 0.00 C ATOM 629 NE ARG A 40 -2.358 7.960 -0.351 1.00 0.00 N ATOM 630 CZ ARG A 40 -2.741 9.073 -0.975 1.00 0.00 C ATOM 631 NH1 ARG A 40 -3.881 9.675 -0.661 1.00 0.00 N ATOM 632 NH2 ARG A 40 -1.977 9.598 -1.916 1.00 0.00 N ATOM 0 H ARG A 40 -3.629 5.387 3.219 1.00 0.00 H new ATOM 0 HA ARG A 40 -5.535 6.919 1.911 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.806 4.602 1.372 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.300 4.540 0.457 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.459 5.658 -0.775 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.858 6.692 -0.560 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -3.791 7.957 1.177 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.515 6.771 1.366 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.439 7.580 -0.577 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -4.479 9.286 0.068 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -4.159 10.527 -1.149 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -1.094 9.151 -2.165 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -2.270 10.450 -2.394 1.00 0.00 H new ATOM 646 N PHE A 41 -6.652 3.968 2.883 1.00 0.00 N ATOM 647 CA PHE A 41 -7.854 3.176 3.119 1.00 0.00 C ATOM 648 C PHE A 41 -8.659 3.695 4.315 1.00 0.00 C ATOM 649 O PHE A 41 -9.850 3.410 4.444 1.00 0.00 O ATOM 650 CB PHE A 41 -7.491 1.705 3.311 1.00 0.00 C ATOM 651 CG PHE A 41 -7.088 1.057 2.026 1.00 0.00 C ATOM 652 CD1 PHE A 41 -7.908 1.162 0.920 1.00 0.00 C ATOM 653 CD2 PHE A 41 -5.898 0.360 1.915 1.00 0.00 C ATOM 654 CE1 PHE A 41 -7.556 0.588 -0.275 1.00 0.00 C ATOM 655 CE2 PHE A 41 -5.536 -0.224 0.716 1.00 0.00 C ATOM 656 CZ PHE A 41 -6.366 -0.109 -0.383 1.00 0.00 C ATOM 0 H PHE A 41 -5.786 3.509 3.167 1.00 0.00 H new ATOM 0 HA PHE A 41 -8.489 3.272 2.238 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -6.676 1.623 4.030 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -8.343 1.173 3.734 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -8.839 1.703 0.997 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -5.247 0.272 2.772 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -8.208 0.680 -1.131 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.607 -0.769 0.638 1.00 0.00 H new ATOM 0 HZ PHE A 41 -6.087 -0.562 -1.323 1.00 0.00 H new ATOM 666 N GLN A 42 -8.005 4.432 5.207 1.00 0.00 N ATOM 667 CA GLN A 42 -8.693 5.001 6.365 1.00 0.00 C ATOM 668 C GLN A 42 -9.331 6.349 6.033 1.00 0.00 C ATOM 669 O GLN A 42 -10.283 6.772 6.689 1.00 0.00 O ATOM 670 CB GLN A 42 -7.740 5.146 7.555 1.00 0.00 C ATOM 671 CG GLN A 42 -7.192 3.820 8.056 1.00 0.00 C ATOM 672 CD GLN A 42 -8.286 2.810 8.347 1.00 0.00 C ATOM 673 OE1 GLN A 42 -8.695 2.048 7.470 1.00 0.00 O ATOM 674 NE2 GLN A 42 -8.768 2.793 9.578 1.00 0.00 N ATOM 0 H GLN A 42 -7.010 4.649 5.154 1.00 0.00 H new ATOM 0 HA GLN A 42 -9.489 4.308 6.639 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.908 5.789 7.268 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -8.263 5.646 8.371 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.511 3.408 7.312 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.610 3.990 8.961 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -8.404 3.440 10.277 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -9.504 2.133 9.828 1.00 0.00 H new ATOM 683 N ARG A 43 -8.797 7.035 5.034 1.00 0.00 N ATOM 684 CA ARG A 43 -9.383 8.290 4.586 1.00 0.00 C ATOM 685 C ARG A 43 -10.487 8.029 3.568 1.00 0.00 C ATOM 686 O ARG A 43 -11.556 8.637 3.630 1.00 0.00 O ATOM 687 CB ARG A 43 -8.307 9.204 3.992 1.00 0.00 C ATOM 688 CG ARG A 43 -7.212 9.596 4.978 1.00 0.00 C ATOM 689 CD ARG A 43 -7.689 10.619 6.001 1.00 0.00 C ATOM 690 NE ARG A 43 -8.785 10.111 6.827 1.00 0.00 N ATOM 691 CZ ARG A 43 -9.488 10.859 7.677 1.00 0.00 C ATOM 692 NH1 ARG A 43 -9.172 12.134 7.866 1.00 0.00 N ATOM 693 NH2 ARG A 43 -10.500 10.319 8.348 1.00 0.00 N ATOM 0 H ARG A 43 -7.964 6.747 4.521 1.00 0.00 H new ATOM 0 HA ARG A 43 -9.822 8.793 5.448 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -7.850 8.703 3.138 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -8.782 10.109 3.614 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -6.859 8.705 5.497 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -6.363 10.004 4.430 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -6.855 10.903 6.643 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.015 11.521 5.484 1.00 0.00 H new ATOM 0 HE ARG A 43 -9.026 9.123 6.747 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -8.388 12.546 7.360 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -9.713 12.702 8.518 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -10.736 9.336 8.211 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -11.041 10.887 9.000 1.00 0.00 H new ATOM 707 N GLN A 44 -10.223 7.113 2.645 1.00 0.00 N ATOM 708 CA GLN A 44 -11.202 6.719 1.638 1.00 0.00 C ATOM 709 C GLN A 44 -11.332 5.204 1.643 1.00 0.00 C ATOM 710 O GLN A 44 -10.343 4.508 1.844 1.00 0.00 O ATOM 711 CB GLN A 44 -10.788 7.191 0.235 1.00 0.00 C ATOM 712 CG GLN A 44 -10.624 8.702 0.082 1.00 0.00 C ATOM 713 CD GLN A 44 -9.315 9.236 0.641 1.00 0.00 C ATOM 714 OE1 GLN A 44 -9.231 10.387 1.069 1.00 0.00 O ATOM 715 NE2 GLN A 44 -8.286 8.402 0.661 1.00 0.00 N ATOM 0 H GLN A 44 -9.330 6.625 2.573 1.00 0.00 H new ATOM 0 HA GLN A 44 -12.156 7.187 1.882 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -9.846 6.710 -0.030 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -11.534 6.848 -0.482 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -10.689 8.960 -0.975 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -11.453 9.201 0.584 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -8.390 7.454 0.298 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -7.389 8.707 1.039 1.00 0.00 H new ATOM 724 N LYS A 45 -12.536 4.689 1.410 1.00 0.00 N ATOM 725 CA LYS A 45 -12.771 3.247 1.494 1.00 0.00 C ATOM 726 C LYS A 45 -11.962 2.489 0.438 1.00 0.00 C ATOM 727 O LYS A 45 -11.668 1.305 0.605 1.00 0.00 O ATOM 728 CB LYS A 45 -14.267 2.920 1.365 1.00 0.00 C ATOM 729 CG LYS A 45 -14.861 3.194 -0.011 1.00 0.00 C ATOM 730 CD LYS A 45 -16.318 2.755 -0.084 1.00 0.00 C ATOM 731 CE LYS A 45 -16.473 1.289 0.295 1.00 0.00 C ATOM 732 NZ LYS A 45 -17.884 0.825 0.229 1.00 0.00 N ATOM 0 H LYS A 45 -13.358 5.241 1.164 1.00 0.00 H new ATOM 0 HA LYS A 45 -12.434 2.919 2.477 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.418 1.868 1.608 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -14.817 3.500 2.106 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.788 4.258 -0.235 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -14.282 2.668 -0.770 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -16.920 3.371 0.584 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -16.698 2.914 -1.093 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -15.863 0.679 -0.371 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -16.092 1.137 1.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -17.932 -0.179 0.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -18.465 1.386 0.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -18.243 0.943 -0.740 1.00 0.00 H new ATOM 746 N TYR A 46 -11.607 3.178 -0.640 1.00 0.00 N ATOM 747 CA TYR A 46 -10.766 2.612 -1.688 1.00 0.00 C ATOM 748 C TYR A 46 -9.906 3.705 -2.307 1.00 0.00 C ATOM 749 O TYR A 46 -10.017 4.875 -1.933 1.00 0.00 O ATOM 750 CB TYR A 46 -11.611 1.961 -2.791 1.00 0.00 C ATOM 751 CG TYR A 46 -12.303 0.680 -2.388 1.00 0.00 C ATOM 752 CD1 TYR A 46 -11.570 -0.451 -2.057 1.00 0.00 C ATOM 753 CD2 TYR A 46 -13.690 0.597 -2.355 1.00 0.00 C ATOM 754 CE1 TYR A 46 -12.199 -1.628 -1.699 1.00 0.00 C ATOM 755 CE2 TYR A 46 -14.325 -0.576 -2.002 1.00 0.00 C ATOM 756 CZ TYR A 46 -13.577 -1.684 -1.675 1.00 0.00 C ATOM 757 OH TYR A 46 -14.212 -2.855 -1.330 1.00 0.00 O ATOM 0 H TYR A 46 -11.893 4.142 -0.812 1.00 0.00 H new ATOM 0 HA TYR A 46 -10.136 1.848 -1.232 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -12.365 2.676 -3.121 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -10.969 1.756 -3.648 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -10.491 -0.411 -2.080 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -14.280 1.465 -2.610 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -11.615 -2.499 -1.440 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -15.404 -0.624 -1.982 1.00 0.00 H new ATOM 0 HH TYR A 46 -15.182 -2.723 -1.362 1.00 0.00 H new ATOM 767 N LEU A 47 -9.049 3.331 -3.245 1.00 0.00 N ATOM 768 CA LEU A 47 -8.278 4.308 -3.988 1.00 0.00 C ATOM 769 C LEU A 47 -8.796 4.419 -5.417 1.00 0.00 C ATOM 770 O LEU A 47 -8.977 3.421 -6.110 1.00 0.00 O ATOM 771 CB LEU A 47 -6.776 3.977 -3.960 1.00 0.00 C ATOM 772 CG LEU A 47 -6.390 2.535 -4.295 1.00 0.00 C ATOM 773 CD1 LEU A 47 -6.127 2.373 -5.785 1.00 0.00 C ATOM 774 CD2 LEU A 47 -5.172 2.109 -3.489 1.00 0.00 C ATOM 0 H LEU A 47 -8.872 2.361 -3.507 1.00 0.00 H new ATOM 0 HA LEU A 47 -8.402 5.277 -3.505 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.267 4.638 -4.661 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -6.393 4.211 -2.967 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.227 1.890 -4.028 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.855 1.339 -5.996 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.026 2.633 -6.344 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.311 3.031 -6.084 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.911 1.081 -3.740 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.333 2.764 -3.724 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.398 2.177 -2.425 1.00 0.00 H new ATOM 786 N SER A 48 -9.073 5.643 -5.827 1.00 0.00 N ATOM 787 CA SER A 48 -9.520 5.922 -7.172 1.00 0.00 C ATOM 788 C SER A 48 -8.328 6.020 -8.114 1.00 0.00 C ATOM 789 O SER A 48 -7.180 5.801 -7.710 1.00 0.00 O ATOM 790 CB SER A 48 -10.321 7.223 -7.188 1.00 0.00 C ATOM 791 OG SER A 48 -11.351 7.200 -6.213 1.00 0.00 O ATOM 0 H SER A 48 -8.993 6.469 -5.234 1.00 0.00 H new ATOM 0 HA SER A 48 -10.160 5.108 -7.512 1.00 0.00 H new ATOM 0 HB2 SER A 48 -9.656 8.066 -6.999 1.00 0.00 H new ATOM 0 HB3 SER A 48 -10.755 7.375 -8.176 1.00 0.00 H new ATOM 0 HG SER A 48 -10.962 7.329 -5.323 1.00 0.00 H new ATOM 797 N LEU A 49 -8.601 6.383 -9.352 1.00 0.00 N ATOM 798 CA LEU A 49 -7.574 6.445 -10.381 1.00 0.00 C ATOM 799 C LEU A 49 -6.623 7.593 -10.072 1.00 0.00 C ATOM 800 O LEU A 49 -5.416 7.512 -10.304 1.00 0.00 O ATOM 801 CB LEU A 49 -8.224 6.641 -11.756 1.00 0.00 C ATOM 802 CG LEU A 49 -7.306 6.422 -12.957 1.00 0.00 C ATOM 803 CD1 LEU A 49 -6.867 4.965 -13.030 1.00 0.00 C ATOM 804 CD2 LEU A 49 -8.006 6.836 -14.243 1.00 0.00 C ATOM 0 H LEU A 49 -9.533 6.642 -9.674 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.012 5.511 -10.396 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.070 5.959 -11.839 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.625 7.653 -11.808 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.419 7.043 -12.834 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -6.213 4.825 -13.891 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -6.329 4.701 -12.119 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -7.744 4.326 -13.132 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -7.338 6.674 -15.089 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -8.909 6.240 -14.374 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -8.273 7.891 -14.189 1.00 0.00 H new ATOM 816 N GLN A 50 -7.187 8.650 -9.511 1.00 0.00 N ATOM 817 CA GLN A 50 -6.424 9.827 -9.131 1.00 0.00 C ATOM 818 C GLN A 50 -5.587 9.530 -7.887 1.00 0.00 C ATOM 819 O GLN A 50 -4.510 10.090 -7.697 1.00 0.00 O ATOM 820 CB GLN A 50 -7.389 10.989 -8.869 1.00 0.00 C ATOM 821 CG GLN A 50 -6.948 12.324 -9.456 1.00 0.00 C ATOM 822 CD GLN A 50 -5.801 12.955 -8.702 1.00 0.00 C ATOM 823 OE1 GLN A 50 -6.013 13.695 -7.749 1.00 0.00 O ATOM 824 NE2 GLN A 50 -4.583 12.692 -9.135 1.00 0.00 N ATOM 0 H GLN A 50 -8.184 8.716 -9.307 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.746 10.102 -9.939 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -8.366 10.732 -9.278 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -7.515 11.104 -7.792 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.654 12.177 -10.495 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -7.795 13.010 -9.458 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -4.448 12.070 -9.932 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -3.776 13.110 -8.673 1.00 0.00 H new ATOM 833 N GLN A 51 -6.078 8.624 -7.055 1.00 0.00 N ATOM 834 CA GLN A 51 -5.404 8.285 -5.812 1.00 0.00 C ATOM 835 C GLN A 51 -4.179 7.406 -6.051 1.00 0.00 C ATOM 836 O GLN A 51 -3.129 7.638 -5.464 1.00 0.00 O ATOM 837 CB GLN A 51 -6.376 7.590 -4.866 1.00 0.00 C ATOM 838 CG GLN A 51 -7.322 8.541 -4.150 1.00 0.00 C ATOM 839 CD GLN A 51 -8.450 7.809 -3.456 1.00 0.00 C ATOM 840 OE1 GLN A 51 -9.520 7.622 -4.028 1.00 0.00 O ATOM 841 NE2 GLN A 51 -8.215 7.367 -2.233 1.00 0.00 N ATOM 0 H GLN A 51 -6.943 8.109 -7.219 1.00 0.00 H new ATOM 0 HA GLN A 51 -5.057 9.213 -5.358 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -6.963 6.866 -5.431 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -5.808 7.030 -4.123 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -6.763 9.123 -3.417 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -7.737 9.247 -4.869 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -7.312 7.543 -1.792 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -8.936 6.850 -1.730 1.00 0.00 H new ATOM 850 N MET A 52 -4.318 6.393 -6.903 1.00 0.00 N ATOM 851 CA MET A 52 -3.205 5.491 -7.209 1.00 0.00 C ATOM 852 C MET A 52 -2.016 6.242 -7.817 1.00 0.00 C ATOM 853 O MET A 52 -0.864 5.953 -7.489 1.00 0.00 O ATOM 854 CB MET A 52 -3.653 4.353 -8.136 1.00 0.00 C ATOM 855 CG MET A 52 -4.174 4.810 -9.487 1.00 0.00 C ATOM 856 SD MET A 52 -4.660 3.432 -10.545 1.00 0.00 S ATOM 857 CE MET A 52 -6.003 2.725 -9.591 1.00 0.00 C ATOM 0 H MET A 52 -5.186 6.175 -7.393 1.00 0.00 H new ATOM 0 HA MET A 52 -2.876 5.057 -6.265 1.00 0.00 H new ATOM 0 HB2 MET A 52 -2.812 3.678 -8.294 1.00 0.00 H new ATOM 0 HB3 MET A 52 -4.433 3.779 -7.635 1.00 0.00 H new ATOM 0 HG2 MET A 52 -5.030 5.469 -9.338 1.00 0.00 H new ATOM 0 HG3 MET A 52 -3.404 5.396 -9.990 1.00 0.00 H new ATOM 0 HE1 MET A 52 -6.628 2.113 -10.241 1.00 0.00 H new ATOM 0 HE2 MET A 52 -5.595 2.106 -8.792 1.00 0.00 H new ATOM 0 HE3 MET A 52 -6.603 3.526 -9.159 1.00 0.00 H new ATOM 867 N GLN A 53 -2.286 7.223 -8.677 1.00 0.00 N ATOM 868 CA GLN A 53 -1.209 7.995 -9.292 1.00 0.00 C ATOM 869 C GLN A 53 -0.589 8.949 -8.271 1.00 0.00 C ATOM 870 O GLN A 53 0.628 9.150 -8.253 1.00 0.00 O ATOM 871 CB GLN A 53 -1.701 8.750 -10.538 1.00 0.00 C ATOM 872 CG GLN A 53 -2.862 9.701 -10.284 1.00 0.00 C ATOM 873 CD GLN A 53 -3.362 10.376 -11.550 1.00 0.00 C ATOM 874 OE1 GLN A 53 -3.849 11.506 -11.516 1.00 0.00 O ATOM 875 NE2 GLN A 53 -3.266 9.687 -12.672 1.00 0.00 N ATOM 0 H GLN A 53 -3.226 7.499 -8.960 1.00 0.00 H new ATOM 0 HA GLN A 53 -0.437 7.300 -9.622 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.869 9.317 -10.956 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -2.002 8.023 -11.292 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -3.682 9.150 -9.824 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -2.551 10.464 -9.570 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -2.857 8.753 -12.663 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -3.601 10.089 -13.548 1.00 0.00 H new ATOM 884 N GLU A 54 -1.426 9.511 -7.404 1.00 0.00 N ATOM 885 CA GLU A 54 -0.949 10.368 -6.322 1.00 0.00 C ATOM 886 C GLU A 54 -0.080 9.558 -5.360 1.00 0.00 C ATOM 887 O GLU A 54 0.996 9.996 -4.951 1.00 0.00 O ATOM 888 CB GLU A 54 -2.139 10.980 -5.574 1.00 0.00 C ATOM 889 CG GLU A 54 -1.748 11.848 -4.385 1.00 0.00 C ATOM 890 CD GLU A 54 -2.948 12.328 -3.593 1.00 0.00 C ATOM 891 OE1 GLU A 54 -3.555 11.512 -2.868 1.00 0.00 O ATOM 892 OE2 GLU A 54 -3.292 13.518 -3.685 1.00 0.00 O ATOM 0 H GLU A 54 -2.438 9.389 -7.429 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.349 11.174 -6.745 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.723 11.580 -6.272 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.787 10.176 -5.225 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.087 11.282 -3.729 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.183 12.710 -4.740 1.00 0.00 H new ATOM 899 N LEU A 55 -0.561 8.367 -5.023 1.00 0.00 N ATOM 900 CA LEU A 55 0.134 7.465 -4.109 1.00 0.00 C ATOM 901 C LEU A 55 1.521 7.124 -4.634 1.00 0.00 C ATOM 902 O LEU A 55 2.503 7.174 -3.893 1.00 0.00 O ATOM 903 CB LEU A 55 -0.687 6.186 -3.904 1.00 0.00 C ATOM 904 CG LEU A 55 -0.124 5.194 -2.884 1.00 0.00 C ATOM 905 CD1 LEU A 55 -0.063 5.822 -1.499 1.00 0.00 C ATOM 906 CD2 LEU A 55 -0.972 3.935 -2.856 1.00 0.00 C ATOM 0 H LEU A 55 -1.444 7.998 -5.375 1.00 0.00 H new ATOM 0 HA LEU A 55 0.248 7.970 -3.150 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.693 6.468 -3.593 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.781 5.678 -4.864 1.00 0.00 H new ATOM 0 HG LEU A 55 0.890 4.929 -3.184 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.340 5.100 -0.789 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.580 6.702 -1.526 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.066 6.115 -1.188 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.562 3.236 -2.127 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.994 4.191 -2.578 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.969 3.472 -3.843 1.00 0.00 H new ATOM 918 N SER A 56 1.585 6.795 -5.915 1.00 0.00 N ATOM 919 CA SER A 56 2.849 6.482 -6.574 1.00 0.00 C ATOM 920 C SER A 56 3.874 7.598 -6.355 1.00 0.00 C ATOM 921 O SER A 56 5.010 7.339 -5.949 1.00 0.00 O ATOM 922 CB SER A 56 2.615 6.282 -8.076 1.00 0.00 C ATOM 923 OG SER A 56 1.619 5.303 -8.316 1.00 0.00 O ATOM 0 H SER A 56 0.770 6.737 -6.526 1.00 0.00 H new ATOM 0 HA SER A 56 3.243 5.564 -6.139 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.315 7.227 -8.529 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.547 5.981 -8.554 1.00 0.00 H new ATOM 0 HG SER A 56 0.732 5.706 -8.208 1.00 0.00 H new ATOM 929 N ASN A 57 3.450 8.837 -6.594 1.00 0.00 N ATOM 930 CA ASN A 57 4.333 9.999 -6.474 1.00 0.00 C ATOM 931 C ASN A 57 4.861 10.165 -5.047 1.00 0.00 C ATOM 932 O ASN A 57 5.997 10.596 -4.844 1.00 0.00 O ATOM 933 CB ASN A 57 3.596 11.271 -6.918 1.00 0.00 C ATOM 934 CG ASN A 57 4.415 12.535 -6.709 1.00 0.00 C ATOM 935 OD1 ASN A 57 5.202 12.931 -7.570 1.00 0.00 O ATOM 936 ND2 ASN A 57 4.220 13.193 -5.575 1.00 0.00 N ATOM 0 H ASN A 57 2.496 9.065 -6.873 1.00 0.00 H new ATOM 0 HA ASN A 57 5.190 9.833 -7.126 1.00 0.00 H new ATOM 0 HB2 ASN A 57 3.335 11.184 -7.973 1.00 0.00 H new ATOM 0 HB3 ASN A 57 2.661 11.355 -6.364 1.00 0.00 H new ATOM 0 HD21 ASN A 57 4.730 14.057 -5.393 1.00 0.00 H new ATOM 0 HD22 ASN A 57 3.560 12.835 -4.885 1.00 0.00 H new ATOM 943 N ILE A 58 4.047 9.810 -4.061 1.00 0.00 N ATOM 944 CA ILE A 58 4.418 10.008 -2.666 1.00 0.00 C ATOM 945 C ILE A 58 5.502 9.025 -2.232 1.00 0.00 C ATOM 946 O ILE A 58 6.428 9.393 -1.509 1.00 0.00 O ATOM 947 CB ILE A 58 3.198 9.875 -1.729 1.00 0.00 C ATOM 948 CG1 ILE A 58 2.076 10.801 -2.203 1.00 0.00 C ATOM 949 CG2 ILE A 58 3.590 10.197 -0.292 1.00 0.00 C ATOM 950 CD1 ILE A 58 0.918 10.912 -1.234 1.00 0.00 C ATOM 0 H ILE A 58 3.130 9.386 -4.200 1.00 0.00 H new ATOM 0 HA ILE A 58 4.810 11.022 -2.588 1.00 0.00 H new ATOM 0 HB ILE A 58 2.840 8.846 -1.759 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.488 11.795 -2.376 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.701 10.440 -3.161 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.718 10.098 0.354 1.00 0.00 H new ATOM 0 HG22 ILE A 58 4.366 9.506 0.037 1.00 0.00 H new ATOM 0 HG23 ILE A 58 3.968 11.218 -0.238 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.165 11.586 -1.643 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.478 9.927 -1.079 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.277 11.303 -0.282 1.00 0.00 H new ATOM 962 N LEU A 59 5.402 7.785 -2.686 1.00 0.00 N ATOM 963 CA LEU A 59 6.341 6.755 -2.255 1.00 0.00 C ATOM 964 C LEU A 59 7.490 6.602 -3.243 1.00 0.00 C ATOM 965 O LEU A 59 8.371 5.763 -3.052 1.00 0.00 O ATOM 966 CB LEU A 59 5.637 5.404 -2.056 1.00 0.00 C ATOM 967 CG LEU A 59 4.754 5.284 -0.800 1.00 0.00 C ATOM 968 CD1 LEU A 59 5.513 5.738 0.437 1.00 0.00 C ATOM 969 CD2 LEU A 59 3.466 6.074 -0.958 1.00 0.00 C ATOM 0 H LEU A 59 4.691 7.468 -3.344 1.00 0.00 H new ATOM 0 HA LEU A 59 6.750 7.077 -1.297 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.019 5.206 -2.931 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.396 4.623 -2.019 1.00 0.00 H new ATOM 0 HG LEU A 59 4.491 4.234 -0.676 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.871 5.645 1.313 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.399 5.116 0.569 1.00 0.00 H new ATOM 0 HD13 LEU A 59 5.815 6.779 0.317 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.863 5.971 -0.056 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.702 7.126 -1.118 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.908 5.693 -1.813 1.00 0.00 H new ATOM 981 N ASN A 60 7.481 7.432 -4.287 1.00 0.00 N ATOM 982 CA ASN A 60 8.478 7.352 -5.358 1.00 0.00 C ATOM 983 C ASN A 60 8.375 5.979 -6.025 1.00 0.00 C ATOM 984 O ASN A 60 9.369 5.385 -6.439 1.00 0.00 O ATOM 985 CB ASN A 60 9.898 7.600 -4.807 1.00 0.00 C ATOM 986 CG ASN A 60 10.899 8.069 -5.861 1.00 0.00 C ATOM 987 OD1 ASN A 60 11.793 8.862 -5.565 1.00 0.00 O ATOM 988 ND2 ASN A 60 10.785 7.568 -7.083 1.00 0.00 N ATOM 0 H ASN A 60 6.790 8.172 -4.415 1.00 0.00 H new ATOM 0 HA ASN A 60 8.282 8.127 -6.099 1.00 0.00 H new ATOM 0 HB2 ASN A 60 9.844 8.346 -4.014 1.00 0.00 H new ATOM 0 HB3 ASN A 60 10.267 6.680 -4.354 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.449 7.838 -7.809 1.00 0.00 H new ATOM 0 HD22 ASN A 60 10.033 6.913 -7.297 1.00 0.00 H new ATOM 995 N LEU A 61 7.147 5.495 -6.144 1.00 0.00 N ATOM 996 CA LEU A 61 6.887 4.190 -6.728 1.00 0.00 C ATOM 997 C LEU A 61 6.257 4.342 -8.100 1.00 0.00 C ATOM 998 O LEU A 61 5.840 5.433 -8.490 1.00 0.00 O ATOM 999 CB LEU A 61 5.966 3.365 -5.820 1.00 0.00 C ATOM 1000 CG LEU A 61 6.651 2.250 -5.024 1.00 0.00 C ATOM 1001 CD1 LEU A 61 7.710 2.823 -4.095 1.00 0.00 C ATOM 1002 CD2 LEU A 61 5.621 1.451 -4.240 1.00 0.00 C ATOM 0 H LEU A 61 6.310 5.992 -5.841 1.00 0.00 H new ATOM 0 HA LEU A 61 7.838 3.667 -6.830 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.477 4.040 -5.118 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.183 2.921 -6.434 1.00 0.00 H new ATOM 0 HG LEU A 61 7.146 1.579 -5.726 1.00 0.00 H new ATOM 0 HD11 LEU A 61 8.183 2.013 -3.540 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.463 3.349 -4.682 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.244 3.518 -3.397 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.122 0.662 -3.679 1.00 0.00 H new ATOM 0 HD22 LEU A 61 5.098 2.111 -3.549 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.904 1.006 -4.930 1.00 0.00 H new ATOM 1014 N SER A 62 6.183 3.243 -8.820 1.00 0.00 N ATOM 1015 CA SER A 62 5.673 3.256 -10.169 1.00 0.00 C ATOM 1016 C SER A 62 4.154 3.153 -10.160 1.00 0.00 C ATOM 1017 O SER A 62 3.580 2.384 -9.386 1.00 0.00 O ATOM 1018 CB SER A 62 6.296 2.103 -10.957 1.00 0.00 C ATOM 1019 OG SER A 62 5.796 2.031 -12.281 1.00 0.00 O ATOM 0 H SER A 62 6.473 2.323 -8.488 1.00 0.00 H new ATOM 0 HA SER A 62 5.941 4.196 -10.651 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.379 2.227 -10.985 1.00 0.00 H new ATOM 0 HB3 SER A 62 6.096 1.163 -10.443 1.00 0.00 H new ATOM 0 HG SER A 62 6.220 1.283 -12.751 1.00 0.00 H new ATOM 1025 N TYR A 63 3.518 3.941 -11.014 1.00 0.00 N ATOM 1026 CA TYR A 63 2.072 3.906 -11.191 1.00 0.00 C ATOM 1027 C TYR A 63 1.625 2.497 -11.569 1.00 0.00 C ATOM 1028 O TYR A 63 0.550 2.045 -11.179 1.00 0.00 O ATOM 1029 CB TYR A 63 1.676 4.915 -12.275 1.00 0.00 C ATOM 1030 CG TYR A 63 0.216 4.889 -12.673 1.00 0.00 C ATOM 1031 CD1 TYR A 63 -0.743 5.543 -11.912 1.00 0.00 C ATOM 1032 CD2 TYR A 63 -0.200 4.222 -13.818 1.00 0.00 C ATOM 1033 CE1 TYR A 63 -2.075 5.531 -12.281 1.00 0.00 C ATOM 1034 CE2 TYR A 63 -1.527 4.210 -14.196 1.00 0.00 C ATOM 1035 CZ TYR A 63 -2.460 4.865 -13.423 1.00 0.00 C ATOM 1036 OH TYR A 63 -3.783 4.865 -13.803 1.00 0.00 O ATOM 0 H TYR A 63 3.990 4.625 -11.606 1.00 0.00 H new ATOM 0 HA TYR A 63 1.578 4.176 -10.258 1.00 0.00 H new ATOM 0 HB2 TYR A 63 1.923 5.917 -11.925 1.00 0.00 H new ATOM 0 HB3 TYR A 63 2.282 4.729 -13.162 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -0.444 6.069 -11.018 1.00 0.00 H new ATOM 0 HD2 TYR A 63 0.528 3.703 -14.424 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -2.810 6.041 -11.677 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -1.832 3.690 -15.092 1.00 0.00 H new ATOM 0 HH TYR A 63 -3.886 4.351 -14.631 1.00 0.00 H new ATOM 1046 N LYS A 64 2.479 1.804 -12.310 1.00 0.00 N ATOM 1047 CA LYS A 64 2.212 0.443 -12.723 1.00 0.00 C ATOM 1048 C LYS A 64 2.279 -0.487 -11.521 1.00 0.00 C ATOM 1049 O LYS A 64 1.486 -1.420 -11.400 1.00 0.00 O ATOM 1050 CB LYS A 64 3.228 0.015 -13.779 1.00 0.00 C ATOM 1051 CG LYS A 64 3.293 0.945 -14.981 1.00 0.00 C ATOM 1052 CD LYS A 64 1.988 0.965 -15.760 1.00 0.00 C ATOM 1053 CE LYS A 64 2.027 1.997 -16.879 1.00 0.00 C ATOM 1054 NZ LYS A 64 3.159 1.757 -17.816 1.00 0.00 N ATOM 0 H LYS A 64 3.372 2.172 -12.638 1.00 0.00 H new ATOM 0 HA LYS A 64 1.212 0.388 -13.152 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.215 -0.039 -13.319 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.981 -0.990 -14.122 1.00 0.00 H new ATOM 0 HG2 LYS A 64 3.530 1.955 -14.645 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.103 0.630 -15.639 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.798 -0.023 -16.180 1.00 0.00 H new ATOM 0 HD3 LYS A 64 1.162 1.189 -15.085 1.00 0.00 H new ATOM 0 HE2 LYS A 64 1.087 1.970 -17.431 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.116 2.995 -16.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 3.055 2.369 -18.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.057 1.973 -17.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.157 0.761 -18.115 1.00 0.00 H new ATOM 1068 N GLN A 65 3.219 -0.211 -10.627 1.00 0.00 N ATOM 1069 CA GLN A 65 3.374 -0.994 -9.411 1.00 0.00 C ATOM 1070 C GLN A 65 2.195 -0.764 -8.474 1.00 0.00 C ATOM 1071 O GLN A 65 1.619 -1.717 -7.953 1.00 0.00 O ATOM 1072 CB GLN A 65 4.683 -0.635 -8.703 1.00 0.00 C ATOM 1073 CG GLN A 65 5.930 -1.025 -9.482 1.00 0.00 C ATOM 1074 CD GLN A 65 6.074 -2.524 -9.662 1.00 0.00 C ATOM 1075 OE1 GLN A 65 5.627 -3.309 -8.827 1.00 0.00 O ATOM 1076 NE2 GLN A 65 6.717 -2.928 -10.744 1.00 0.00 N ATOM 0 H GLN A 65 3.888 0.553 -10.723 1.00 0.00 H new ATOM 0 HA GLN A 65 3.403 -2.048 -9.687 1.00 0.00 H new ATOM 0 HB2 GLN A 65 4.702 0.439 -8.518 1.00 0.00 H new ATOM 0 HB3 GLN A 65 4.705 -1.126 -7.730 1.00 0.00 H new ATOM 0 HG2 GLN A 65 5.903 -0.548 -10.462 1.00 0.00 H new ATOM 0 HG3 GLN A 65 6.809 -0.641 -8.965 1.00 0.00 H new ATOM 0 HE21 GLN A 65 7.072 -2.243 -11.412 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.858 -3.924 -10.911 1.00 0.00 H new ATOM 1085 N VAL A 66 1.824 0.500 -8.285 1.00 0.00 N ATOM 1086 CA VAL A 66 0.740 0.847 -7.367 1.00 0.00 C ATOM 1087 C VAL A 66 -0.603 0.314 -7.875 1.00 0.00 C ATOM 1088 O VAL A 66 -1.411 -0.212 -7.103 1.00 0.00 O ATOM 1089 CB VAL A 66 0.661 2.375 -7.127 1.00 0.00 C ATOM 1090 CG1 VAL A 66 -0.557 2.734 -6.291 1.00 0.00 C ATOM 1091 CG2 VAL A 66 1.929 2.852 -6.436 1.00 0.00 C ATOM 0 H VAL A 66 2.255 1.298 -8.752 1.00 0.00 H new ATOM 0 HA VAL A 66 0.961 0.371 -6.412 1.00 0.00 H new ATOM 0 HB VAL A 66 0.566 2.872 -8.093 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.588 3.813 -6.138 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.461 2.415 -6.810 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.496 2.232 -5.325 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.870 3.927 -6.269 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.036 2.341 -5.479 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.791 2.629 -7.064 1.00 0.00 H new ATOM 1101 N LYS A 67 -0.816 0.418 -9.182 1.00 0.00 N ATOM 1102 CA LYS A 67 -2.051 -0.048 -9.803 1.00 0.00 C ATOM 1103 C LYS A 67 -2.183 -1.565 -9.692 1.00 0.00 C ATOM 1104 O LYS A 67 -3.245 -2.091 -9.346 1.00 0.00 O ATOM 1105 CB LYS A 67 -2.080 0.377 -11.272 1.00 0.00 C ATOM 1106 CG LYS A 67 -3.412 0.139 -11.956 1.00 0.00 C ATOM 1107 CD LYS A 67 -3.350 0.520 -13.423 1.00 0.00 C ATOM 1108 CE LYS A 67 -4.712 0.410 -14.085 1.00 0.00 C ATOM 1109 NZ LYS A 67 -5.290 -0.954 -13.950 1.00 0.00 N ATOM 0 H LYS A 67 -0.146 0.823 -9.835 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.893 0.402 -9.278 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.833 1.437 -11.338 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.304 -0.165 -11.812 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -3.690 -0.911 -11.861 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.188 0.721 -11.459 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -2.979 1.540 -13.520 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -2.641 -0.127 -13.938 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -5.391 1.137 -13.640 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.623 0.663 -15.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.133 -1.035 -14.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -4.585 -1.660 -14.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -5.557 -1.121 -12.959 1.00 0.00 H new ATOM 1123 N THR A 68 -1.089 -2.259 -9.965 1.00 0.00 N ATOM 1124 CA THR A 68 -1.075 -3.715 -9.937 1.00 0.00 C ATOM 1125 C THR A 68 -1.165 -4.229 -8.498 1.00 0.00 C ATOM 1126 O THR A 68 -1.772 -5.271 -8.237 1.00 0.00 O ATOM 1127 CB THR A 68 0.192 -4.274 -10.620 1.00 0.00 C ATOM 1128 OG1 THR A 68 0.323 -3.715 -11.935 1.00 0.00 O ATOM 1129 CG2 THR A 68 0.133 -5.791 -10.730 1.00 0.00 C ATOM 0 H THR A 68 -0.194 -1.835 -10.210 1.00 0.00 H new ATOM 0 HA THR A 68 -1.946 -4.065 -10.491 1.00 0.00 H new ATOM 0 HB THR A 68 1.052 -4.000 -10.008 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.539 -2.762 -11.865 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.038 -6.156 -11.215 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.055 -6.225 -9.733 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.736 -6.079 -11.321 1.00 0.00 H new ATOM 1137 N TRP A 69 -0.562 -3.489 -7.569 1.00 0.00 N ATOM 1138 CA TRP A 69 -0.656 -3.811 -6.148 1.00 0.00 C ATOM 1139 C TRP A 69 -2.118 -3.859 -5.717 1.00 0.00 C ATOM 1140 O TRP A 69 -2.561 -4.823 -5.087 1.00 0.00 O ATOM 1141 CB TRP A 69 0.111 -2.771 -5.320 1.00 0.00 C ATOM 1142 CG TRP A 69 -0.032 -2.944 -3.836 1.00 0.00 C ATOM 1143 CD1 TRP A 69 0.601 -3.866 -3.054 1.00 0.00 C ATOM 1144 CD2 TRP A 69 -0.854 -2.167 -2.956 1.00 0.00 C ATOM 1145 NE1 TRP A 69 0.218 -3.714 -1.743 1.00 0.00 N ATOM 1146 CE2 TRP A 69 -0.674 -2.677 -1.657 1.00 0.00 C ATOM 1147 CE3 TRP A 69 -1.727 -1.089 -3.142 1.00 0.00 C ATOM 1148 CZ2 TRP A 69 -1.338 -2.148 -0.551 1.00 0.00 C ATOM 1149 CZ3 TRP A 69 -2.381 -0.564 -2.043 1.00 0.00 C ATOM 1150 CH2 TRP A 69 -2.183 -1.094 -0.761 1.00 0.00 C ATOM 0 H TRP A 69 -0.003 -2.662 -7.776 1.00 0.00 H new ATOM 0 HA TRP A 69 -0.210 -4.791 -5.977 1.00 0.00 H new ATOM 0 HB2 TRP A 69 1.168 -2.822 -5.581 1.00 0.00 H new ATOM 0 HB3 TRP A 69 -0.237 -1.775 -5.594 1.00 0.00 H new ATOM 0 HD1 TRP A 69 1.300 -4.607 -3.413 1.00 0.00 H new ATOM 0 HE1 TRP A 69 0.545 -4.281 -0.961 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -1.887 -0.675 -4.126 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 -1.190 -2.557 0.438 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -3.056 0.269 -2.175 1.00 0.00 H new ATOM 0 HH2 TRP A 69 -2.708 -0.661 0.078 1.00 0.00 H new ATOM 1161 N PHE A 70 -2.863 -2.826 -6.091 1.00 0.00 N ATOM 1162 CA PHE A 70 -4.279 -2.735 -5.765 1.00 0.00 C ATOM 1163 C PHE A 70 -5.053 -3.915 -6.345 1.00 0.00 C ATOM 1164 O PHE A 70 -5.925 -4.475 -5.682 1.00 0.00 O ATOM 1165 CB PHE A 70 -4.855 -1.416 -6.294 1.00 0.00 C ATOM 1166 CG PHE A 70 -6.336 -1.274 -6.077 1.00 0.00 C ATOM 1167 CD1 PHE A 70 -6.844 -1.089 -4.802 1.00 0.00 C ATOM 1168 CD2 PHE A 70 -7.216 -1.333 -7.147 1.00 0.00 C ATOM 1169 CE1 PHE A 70 -8.204 -0.958 -4.599 1.00 0.00 C ATOM 1170 CE2 PHE A 70 -8.577 -1.205 -6.949 1.00 0.00 C ATOM 1171 CZ PHE A 70 -9.071 -1.019 -5.673 1.00 0.00 C ATOM 0 H PHE A 70 -2.505 -2.034 -6.625 1.00 0.00 H new ATOM 0 HA PHE A 70 -4.382 -2.763 -4.680 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -4.344 -0.585 -5.807 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -4.644 -1.339 -7.361 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -6.171 -1.047 -3.959 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.833 -1.481 -8.146 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -8.589 -0.808 -3.601 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -9.253 -1.250 -7.790 1.00 0.00 H new ATOM 0 HZ PHE A 70 -10.135 -0.921 -5.515 1.00 0.00 H new ATOM 1181 N GLN A 71 -4.722 -4.300 -7.574 1.00 0.00 N ATOM 1182 CA GLN A 71 -5.428 -5.388 -8.248 1.00 0.00 C ATOM 1183 C GLN A 71 -5.161 -6.729 -7.559 1.00 0.00 C ATOM 1184 O GLN A 71 -6.033 -7.595 -7.498 1.00 0.00 O ATOM 1185 CB GLN A 71 -5.025 -5.464 -9.725 1.00 0.00 C ATOM 1186 CG GLN A 71 -5.870 -6.440 -10.528 1.00 0.00 C ATOM 1187 CD GLN A 71 -7.342 -6.067 -10.526 1.00 0.00 C ATOM 1188 OE1 GLN A 71 -8.215 -6.935 -10.570 1.00 0.00 O ATOM 1189 NE2 GLN A 71 -7.626 -4.773 -10.482 1.00 0.00 N ATOM 0 H GLN A 71 -3.973 -3.878 -8.123 1.00 0.00 H new ATOM 0 HA GLN A 71 -6.496 -5.178 -8.187 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -5.108 -4.472 -10.169 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -3.978 -5.758 -9.794 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -5.507 -6.471 -11.555 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -5.751 -7.443 -10.117 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -6.873 -4.086 -10.446 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -8.598 -4.464 -10.484 1.00 0.00 H new ATOM 1198 N ASN A 72 -3.961 -6.875 -7.018 1.00 0.00 N ATOM 1199 CA ASN A 72 -3.570 -8.095 -6.325 1.00 0.00 C ATOM 1200 C ASN A 72 -4.244 -8.164 -4.971 1.00 0.00 C ATOM 1201 O ASN A 72 -4.781 -9.201 -4.591 1.00 0.00 O ATOM 1202 CB ASN A 72 -2.050 -8.177 -6.150 1.00 0.00 C ATOM 1203 CG ASN A 72 -1.356 -8.814 -7.341 1.00 0.00 C ATOM 1204 OD1 ASN A 72 -1.194 -10.032 -7.399 1.00 0.00 O ATOM 1205 ND2 ASN A 72 -0.943 -8.000 -8.296 1.00 0.00 N ATOM 0 H ASN A 72 -3.236 -6.158 -7.046 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.889 -8.940 -6.935 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.652 -7.174 -5.996 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -1.822 -8.752 -5.252 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -0.471 -8.376 -9.118 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -1.096 -6.995 -8.211 1.00 0.00 H new ATOM 1212 N GLN A 73 -4.229 -7.052 -4.251 1.00 0.00 N ATOM 1213 CA GLN A 73 -4.923 -6.970 -2.979 1.00 0.00 C ATOM 1214 C GLN A 73 -6.413 -7.192 -3.194 1.00 0.00 C ATOM 1215 O GLN A 73 -7.064 -7.882 -2.417 1.00 0.00 O ATOM 1216 CB GLN A 73 -4.673 -5.619 -2.309 1.00 0.00 C ATOM 1217 CG GLN A 73 -3.219 -5.390 -1.923 1.00 0.00 C ATOM 1218 CD GLN A 73 -2.693 -6.446 -0.969 1.00 0.00 C ATOM 1219 OE1 GLN A 73 -2.146 -7.468 -1.384 1.00 0.00 O ATOM 1220 NE2 GLN A 73 -2.861 -6.205 0.320 1.00 0.00 N ATOM 0 H GLN A 73 -3.745 -6.198 -4.527 1.00 0.00 H new ATOM 0 HA GLN A 73 -4.538 -7.747 -2.318 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -4.991 -4.824 -2.984 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -5.293 -5.546 -1.416 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -2.605 -5.382 -2.824 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -3.120 -4.408 -1.461 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -3.319 -5.346 0.623 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -2.532 -6.878 1.012 1.00 0.00 H new ATOM 1229 N ARG A 74 -6.935 -6.623 -4.275 1.00 0.00 N ATOM 1230 CA ARG A 74 -8.332 -6.806 -4.650 1.00 0.00 C ATOM 1231 C ARG A 74 -8.680 -8.285 -4.774 1.00 0.00 C ATOM 1232 O ARG A 74 -9.666 -8.748 -4.196 1.00 0.00 O ATOM 1233 CB ARG A 74 -8.624 -6.110 -5.985 1.00 0.00 C ATOM 1234 CG ARG A 74 -10.052 -6.301 -6.479 1.00 0.00 C ATOM 1235 CD ARG A 74 -10.205 -5.888 -7.936 1.00 0.00 C ATOM 1236 NE ARG A 74 -11.579 -6.051 -8.412 1.00 0.00 N ATOM 1237 CZ ARG A 74 -11.914 -6.652 -9.556 1.00 0.00 C ATOM 1238 NH1 ARG A 74 -10.978 -7.138 -10.364 1.00 0.00 N ATOM 1239 NH2 ARG A 74 -13.193 -6.747 -9.901 1.00 0.00 N ATOM 0 H ARG A 74 -6.406 -6.026 -4.912 1.00 0.00 H new ATOM 0 HA ARG A 74 -8.943 -6.363 -3.863 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -8.426 -5.043 -5.879 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -7.935 -6.489 -6.740 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -10.339 -7.346 -6.365 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -10.732 -5.714 -5.861 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -9.903 -4.847 -8.051 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -9.534 -6.485 -8.554 1.00 0.00 H new ATOM 0 HE ARG A 74 -12.331 -5.681 -7.831 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -9.993 -7.054 -10.112 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -11.244 -7.595 -11.236 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -13.915 -6.361 -9.293 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -13.453 -7.205 -10.774 1.00 0.00 H new ATOM 1253 N MET A 75 -7.863 -9.029 -5.516 1.00 0.00 N ATOM 1254 CA MET A 75 -8.201 -10.418 -5.824 1.00 0.00 C ATOM 1255 C MET A 75 -8.032 -11.339 -4.610 1.00 0.00 C ATOM 1256 O MET A 75 -8.842 -12.250 -4.409 1.00 0.00 O ATOM 1257 CB MET A 75 -7.408 -10.938 -7.043 1.00 0.00 C ATOM 1258 CG MET A 75 -5.888 -10.906 -6.906 1.00 0.00 C ATOM 1259 SD MET A 75 -5.223 -12.300 -5.969 1.00 0.00 S ATOM 1260 CE MET A 75 -3.465 -11.972 -6.052 1.00 0.00 C ATOM 0 H MET A 75 -6.980 -8.703 -5.909 1.00 0.00 H new ATOM 0 HA MET A 75 -9.259 -10.433 -6.088 1.00 0.00 H new ATOM 0 HB2 MET A 75 -7.715 -11.965 -7.242 1.00 0.00 H new ATOM 0 HB3 MET A 75 -7.688 -10.347 -7.915 1.00 0.00 H new ATOM 0 HG2 MET A 75 -5.441 -10.900 -7.900 1.00 0.00 H new ATOM 0 HG3 MET A 75 -5.594 -9.977 -6.418 1.00 0.00 H new ATOM 0 HE1 MET A 75 -2.924 -12.752 -5.516 1.00 0.00 H new ATOM 0 HE2 MET A 75 -3.146 -11.960 -7.094 1.00 0.00 H new ATOM 0 HE3 MET A 75 -3.253 -11.005 -5.597 1.00 0.00 H new ATOM 1270 N LYS A 76 -7.021 -11.092 -3.783 1.00 0.00 N ATOM 1271 CA LYS A 76 -6.735 -11.992 -2.668 1.00 0.00 C ATOM 1272 C LYS A 76 -7.570 -11.654 -1.434 1.00 0.00 C ATOM 1273 O LYS A 76 -7.760 -12.500 -0.561 1.00 0.00 O ATOM 1274 CB LYS A 76 -5.240 -11.997 -2.327 1.00 0.00 C ATOM 1275 CG LYS A 76 -4.696 -10.668 -1.839 1.00 0.00 C ATOM 1276 CD LYS A 76 -3.212 -10.777 -1.525 1.00 0.00 C ATOM 1277 CE LYS A 76 -2.951 -11.800 -0.430 1.00 0.00 C ATOM 1278 NZ LYS A 76 -1.500 -12.065 -0.244 1.00 0.00 N ATOM 0 H LYS A 76 -6.395 -10.291 -3.860 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.015 -12.995 -2.989 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -5.059 -12.751 -1.561 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -4.681 -12.300 -3.212 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -4.857 -9.903 -2.598 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -5.239 -10.352 -0.948 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.667 -11.059 -2.426 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -2.832 -9.804 -1.214 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -3.377 -11.443 0.508 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -3.460 -12.732 -0.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.369 -12.768 0.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.098 -12.431 -1.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.017 -11.182 0.017 1.00 0.00 H new