USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=16 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 63 TYR OH : rot 150:sc= 1 USER MOD Set 1.2: A 67 LYS NZ :NH3+ 167:sc= 1.04 (180deg=-0.519) USER MOD Set 2.1: A 44 GLN : amide:sc= 0.867 K(o=-2.4,f=-6.9!) USER MOD Set 2.2: A 48 SER OG : rot 180:sc= -0.244 USER MOD Set 2.3: A 51 GLN : amide:sc= -3.02 K(o=-2.4,f=-5.9!) USER MOD Single : A 30 SER OG : rot 24:sc= 0.285 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc=8.55e-05 USER MOD Single : A 33 GLN : amide:sc= -0.424 X(o=-0.42,f=-0.008) USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 42 GLN : amide:sc= -0.207 K(o=-0.21,f=-1.3) USER MOD Single : A 45 LYS NZ :NH3+ -176:sc= 0.188 (180deg=0.182) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 1.19 K(o=1.2,f=-0.1) USER MOD Single : A 52 MET CE :methyl 165:sc= -0.268 (180deg=-0.76) USER MOD Single : A 53 GLN :FLIP amide:sc= 0 F(o=-0.71,f=0) USER MOD Single : A 56 SER OG : rot 35:sc= 1.25 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 60 ASN : amide:sc= -0.338 X(o=-0.34,f=-0.1) USER MOD Single : A 62 SER OG : rot 180:sc= 0.084 USER MOD Single : A 64 LYS NZ :NH3+ 166:sc= -0.0721 (180deg=-0.31) USER MOD Single : A 65 GLN : amide:sc= 0.53 K(o=0.53,f=-6.8!) USER MOD Single : A 68 THR OG1 : rot 85:sc= 1.27 USER MOD Single : A 71 GLN : amide:sc= -0.325 X(o=-0.33,f=-0.25) USER MOD Single : A 72 ASN : amide:sc= 0.145 K(o=0.14,f=-4.9!) USER MOD Single : A 73 GLN : amide:sc= -0.603 K(o=-0.6,f=-2.4!) USER MOD Single : A 75 MET CE :methyl -114:sc= -0.763 (180deg=-2.75!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 478 N SER A 30 7.975 -0.456 3.372 1.00 0.00 N ATOM 479 CA SER A 30 8.544 0.014 4.623 1.00 0.00 C ATOM 480 C SER A 30 7.434 0.464 5.569 1.00 0.00 C ATOM 481 O SER A 30 6.327 0.777 5.123 1.00 0.00 O ATOM 482 CB SER A 30 9.506 1.167 4.343 1.00 0.00 C ATOM 483 OG SER A 30 10.393 0.832 3.290 1.00 0.00 O ATOM 0 HA SER A 30 9.092 -0.799 5.099 1.00 0.00 H new ATOM 0 HB2 SER A 30 8.942 2.062 4.080 1.00 0.00 H new ATOM 0 HB3 SER A 30 10.074 1.401 5.244 1.00 0.00 H new ATOM 0 HG SER A 30 9.988 0.138 2.729 1.00 0.00 H new ATOM 489 N SER A 31 7.739 0.497 6.863 1.00 0.00 N ATOM 490 CA SER A 31 6.756 0.846 7.887 1.00 0.00 C ATOM 491 C SER A 31 6.058 2.171 7.579 1.00 0.00 C ATOM 492 O SER A 31 4.838 2.285 7.720 1.00 0.00 O ATOM 493 CB SER A 31 7.440 0.902 9.255 1.00 0.00 C ATOM 494 OG SER A 31 8.630 1.675 9.206 1.00 0.00 O ATOM 0 H SER A 31 8.666 0.285 7.231 1.00 0.00 H new ATOM 0 HA SER A 31 5.986 0.074 7.896 1.00 0.00 H new ATOM 0 HB2 SER A 31 6.756 1.329 9.988 1.00 0.00 H new ATOM 0 HB3 SER A 31 7.674 -0.109 9.589 1.00 0.00 H new ATOM 0 HG SER A 31 9.044 1.694 10.094 1.00 0.00 H new ATOM 500 N THR A 32 6.831 3.157 7.138 1.00 0.00 N ATOM 501 CA THR A 32 6.287 4.458 6.772 1.00 0.00 C ATOM 502 C THR A 32 5.206 4.323 5.698 1.00 0.00 C ATOM 503 O THR A 32 4.098 4.837 5.848 1.00 0.00 O ATOM 504 CB THR A 32 7.399 5.384 6.247 1.00 0.00 C ATOM 505 OG1 THR A 32 8.516 5.360 7.143 1.00 0.00 O ATOM 506 CG2 THR A 32 6.894 6.813 6.100 1.00 0.00 C ATOM 0 H THR A 32 7.842 3.078 7.025 1.00 0.00 H new ATOM 0 HA THR A 32 5.845 4.889 7.671 1.00 0.00 H new ATOM 0 HB THR A 32 7.708 5.023 5.266 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.221 5.950 6.803 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.699 7.447 5.728 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.061 6.834 5.397 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.560 7.183 7.070 1.00 0.00 H new ATOM 514 N GLN A 33 5.530 3.608 4.626 1.00 0.00 N ATOM 515 CA GLN A 33 4.620 3.449 3.503 1.00 0.00 C ATOM 516 C GLN A 33 3.407 2.622 3.906 1.00 0.00 C ATOM 517 O GLN A 33 2.282 2.935 3.520 1.00 0.00 O ATOM 518 CB GLN A 33 5.359 2.810 2.325 1.00 0.00 C ATOM 519 CG GLN A 33 6.390 3.739 1.702 1.00 0.00 C ATOM 520 CD GLN A 33 7.613 3.011 1.176 1.00 0.00 C ATOM 521 OE1 GLN A 33 8.716 3.550 1.185 1.00 0.00 O ATOM 522 NE2 GLN A 33 7.426 1.788 0.704 1.00 0.00 N ATOM 0 H GLN A 33 6.423 3.127 4.513 1.00 0.00 H new ATOM 0 HA GLN A 33 4.260 4.431 3.195 1.00 0.00 H new ATOM 0 HB2 GLN A 33 5.854 1.900 2.663 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.636 2.516 1.565 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.925 4.291 0.885 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.704 4.473 2.445 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.494 1.375 0.714 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.214 1.259 0.331 1.00 0.00 H new ATOM 531 N LEU A 34 3.640 1.584 4.702 1.00 0.00 N ATOM 532 CA LEU A 34 2.554 0.754 5.215 1.00 0.00 C ATOM 533 C LEU A 34 1.555 1.594 6.009 1.00 0.00 C ATOM 534 O LEU A 34 0.343 1.455 5.842 1.00 0.00 O ATOM 535 CB LEU A 34 3.100 -0.369 6.100 1.00 0.00 C ATOM 536 CG LEU A 34 3.998 -1.390 5.394 1.00 0.00 C ATOM 537 CD1 LEU A 34 4.519 -2.415 6.390 1.00 0.00 C ATOM 538 CD2 LEU A 34 3.246 -2.077 4.261 1.00 0.00 C ATOM 0 H LEU A 34 4.570 1.297 5.006 1.00 0.00 H new ATOM 0 HA LEU A 34 2.042 0.313 4.360 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.663 0.079 6.919 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.258 -0.899 6.545 1.00 0.00 H new ATOM 0 HG LEU A 34 4.849 -0.861 4.965 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.155 -3.134 5.873 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.097 -1.909 7.164 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.679 -2.938 6.847 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.902 -2.798 3.773 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.375 -2.594 4.663 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.922 -1.332 3.535 1.00 0.00 H new ATOM 550 N CYS A 35 2.073 2.476 6.859 1.00 0.00 N ATOM 551 CA CYS A 35 1.232 3.320 7.699 1.00 0.00 C ATOM 552 C CYS A 35 0.403 4.291 6.856 1.00 0.00 C ATOM 553 O CYS A 35 -0.782 4.494 7.120 1.00 0.00 O ATOM 554 CB CYS A 35 2.092 4.092 8.704 1.00 0.00 C ATOM 555 SG CYS A 35 1.147 5.071 9.895 1.00 0.00 S ATOM 0 H CYS A 35 3.074 2.624 6.984 1.00 0.00 H new ATOM 0 HA CYS A 35 0.543 2.674 8.243 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.718 3.384 9.248 1.00 0.00 H new ATOM 0 HB3 CYS A 35 2.762 4.755 8.157 1.00 0.00 H new ATOM 0 HG CYS A 35 1.964 5.682 10.700 1.00 0.00 H new ATOM 561 N VAL A 36 1.026 4.876 5.835 1.00 0.00 N ATOM 562 CA VAL A 36 0.340 5.824 4.960 1.00 0.00 C ATOM 563 C VAL A 36 -0.784 5.133 4.196 1.00 0.00 C ATOM 564 O VAL A 36 -1.897 5.657 4.088 1.00 0.00 O ATOM 565 CB VAL A 36 1.318 6.476 3.955 1.00 0.00 C ATOM 566 CG1 VAL A 36 0.585 7.418 3.008 1.00 0.00 C ATOM 567 CG2 VAL A 36 2.424 7.218 4.689 1.00 0.00 C ATOM 0 H VAL A 36 2.003 4.711 5.594 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.079 6.605 5.594 1.00 0.00 H new ATOM 0 HB VAL A 36 1.767 5.680 3.361 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.297 7.862 2.313 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.167 6.860 2.450 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.100 8.207 3.583 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.102 7.670 3.965 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.987 7.998 5.313 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.977 6.519 5.316 1.00 0.00 H new ATOM 577 N LEU A 37 -0.487 3.948 3.679 1.00 0.00 N ATOM 578 CA LEU A 37 -1.465 3.167 2.938 1.00 0.00 C ATOM 579 C LEU A 37 -2.645 2.803 3.826 1.00 0.00 C ATOM 580 O LEU A 37 -3.794 3.037 3.464 1.00 0.00 O ATOM 581 CB LEU A 37 -0.819 1.896 2.384 1.00 0.00 C ATOM 582 CG LEU A 37 0.295 2.125 1.362 1.00 0.00 C ATOM 583 CD1 LEU A 37 0.979 0.813 1.011 1.00 0.00 C ATOM 584 CD2 LEU A 37 -0.256 2.795 0.111 1.00 0.00 C ATOM 0 H LEU A 37 0.429 3.506 3.761 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.827 3.773 2.107 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.414 1.321 3.217 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.594 1.285 1.922 1.00 0.00 H new ATOM 0 HG LEU A 37 1.037 2.788 1.807 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.768 0.998 0.282 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.411 0.376 1.911 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.248 0.124 0.587 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.552 2.950 -0.605 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.020 2.159 -0.336 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.695 3.757 0.377 1.00 0.00 H new ATOM 596 N ASN A 38 -2.348 2.265 5.005 1.00 0.00 N ATOM 597 CA ASN A 38 -3.384 1.807 5.926 1.00 0.00 C ATOM 598 C ASN A 38 -4.270 2.964 6.358 1.00 0.00 C ATOM 599 O ASN A 38 -5.488 2.819 6.449 1.00 0.00 O ATOM 600 CB ASN A 38 -2.751 1.131 7.149 1.00 0.00 C ATOM 601 CG ASN A 38 -3.766 0.775 8.221 1.00 0.00 C ATOM 602 OD1 ASN A 38 -4.007 1.545 9.147 1.00 0.00 O ATOM 603 ND2 ASN A 38 -4.365 -0.401 8.102 1.00 0.00 N ATOM 0 H ASN A 38 -1.396 2.135 5.346 1.00 0.00 H new ATOM 0 HA ASN A 38 -4.005 1.077 5.407 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -2.235 0.226 6.830 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -1.998 1.794 7.575 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -5.054 -0.695 8.794 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -4.137 -1.012 7.318 1.00 0.00 H new ATOM 610 N ASP A 39 -3.654 4.115 6.596 1.00 0.00 N ATOM 611 CA ASP A 39 -4.391 5.303 6.999 1.00 0.00 C ATOM 612 C ASP A 39 -5.412 5.695 5.942 1.00 0.00 C ATOM 613 O ASP A 39 -6.591 5.872 6.241 1.00 0.00 O ATOM 614 CB ASP A 39 -3.439 6.473 7.261 1.00 0.00 C ATOM 615 CG ASP A 39 -4.178 7.773 7.511 1.00 0.00 C ATOM 616 OD1 ASP A 39 -4.654 7.990 8.646 1.00 0.00 O ATOM 617 OD2 ASP A 39 -4.285 8.592 6.573 1.00 0.00 O ATOM 0 H ASP A 39 -2.646 4.250 6.517 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.918 5.066 7.923 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.813 6.243 8.123 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.773 6.595 6.407 1.00 0.00 H new ATOM 622 N ARG A 40 -4.966 5.810 4.699 1.00 0.00 N ATOM 623 CA ARG A 40 -5.846 6.259 3.630 1.00 0.00 C ATOM 624 C ARG A 40 -6.823 5.172 3.197 1.00 0.00 C ATOM 625 O ARG A 40 -7.913 5.479 2.732 1.00 0.00 O ATOM 626 CB ARG A 40 -5.043 6.782 2.440 1.00 0.00 C ATOM 627 CG ARG A 40 -5.242 8.274 2.216 1.00 0.00 C ATOM 628 CD ARG A 40 -4.979 9.058 3.494 1.00 0.00 C ATOM 629 NE ARG A 40 -5.390 10.457 3.384 1.00 0.00 N ATOM 630 CZ ARG A 40 -5.527 11.275 4.431 1.00 0.00 C ATOM 631 NH1 ARG A 40 -5.283 10.838 5.662 1.00 0.00 N ATOM 632 NH2 ARG A 40 -5.893 12.536 4.249 1.00 0.00 N ATOM 0 H ARG A 40 -4.011 5.601 4.408 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.439 7.082 4.028 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.984 6.580 2.603 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.336 6.240 1.541 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.572 8.620 1.429 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -6.260 8.461 1.873 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.513 8.589 4.321 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.917 9.012 3.733 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.583 10.830 2.454 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -4.989 9.873 5.812 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -5.389 11.468 6.457 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -6.071 12.884 3.307 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -5.997 13.158 5.051 1.00 0.00 H new ATOM 646 N PHE A 41 -6.439 3.911 3.350 1.00 0.00 N ATOM 647 CA PHE A 41 -7.358 2.798 3.119 1.00 0.00 C ATOM 648 C PHE A 41 -8.429 2.739 4.204 1.00 0.00 C ATOM 649 O PHE A 41 -9.450 2.066 4.049 1.00 0.00 O ATOM 650 CB PHE A 41 -6.606 1.471 3.022 1.00 0.00 C ATOM 651 CG PHE A 41 -5.977 1.281 1.673 1.00 0.00 C ATOM 652 CD1 PHE A 41 -6.710 1.542 0.530 1.00 0.00 C ATOM 653 CD2 PHE A 41 -4.666 0.857 1.545 1.00 0.00 C ATOM 654 CE1 PHE A 41 -6.152 1.387 -0.714 1.00 0.00 C ATOM 655 CE2 PHE A 41 -4.101 0.697 0.296 1.00 0.00 C ATOM 656 CZ PHE A 41 -4.845 0.964 -0.836 1.00 0.00 C ATOM 0 H PHE A 41 -5.500 3.631 3.632 1.00 0.00 H new ATOM 0 HA PHE A 41 -7.854 2.970 2.164 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -5.834 1.434 3.791 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -7.293 0.649 3.221 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -7.735 1.872 0.617 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -4.081 0.650 2.429 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -6.736 1.596 -1.598 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -3.078 0.363 0.204 1.00 0.00 H new ATOM 0 HZ PHE A 41 -4.405 0.842 -1.815 1.00 0.00 H new ATOM 666 N GLN A 42 -8.161 3.392 5.326 1.00 0.00 N ATOM 667 CA GLN A 42 -9.150 3.529 6.385 1.00 0.00 C ATOM 668 C GLN A 42 -10.084 4.709 6.087 1.00 0.00 C ATOM 669 O GLN A 42 -11.311 4.573 6.142 1.00 0.00 O ATOM 670 CB GLN A 42 -8.450 3.727 7.737 1.00 0.00 C ATOM 671 CG GLN A 42 -9.233 3.188 8.926 1.00 0.00 C ATOM 672 CD GLN A 42 -10.487 3.983 9.248 1.00 0.00 C ATOM 673 OE1 GLN A 42 -10.540 5.201 9.060 1.00 0.00 O ATOM 674 NE2 GLN A 42 -11.512 3.292 9.718 1.00 0.00 N ATOM 0 H GLN A 42 -7.265 3.836 5.526 1.00 0.00 H new ATOM 0 HA GLN A 42 -9.747 2.618 6.432 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.476 3.238 7.705 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -8.268 4.791 7.888 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -9.512 2.153 8.726 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -8.585 3.180 9.802 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -11.427 2.285 9.859 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -12.388 3.766 9.939 1.00 0.00 H new ATOM 683 N ARG A 43 -9.495 5.865 5.765 1.00 0.00 N ATOM 684 CA ARG A 43 -10.273 7.076 5.482 1.00 0.00 C ATOM 685 C ARG A 43 -11.083 6.884 4.203 1.00 0.00 C ATOM 686 O ARG A 43 -12.295 7.100 4.174 1.00 0.00 O ATOM 687 CB ARG A 43 -9.360 8.298 5.310 1.00 0.00 C ATOM 688 CG ARG A 43 -8.196 8.370 6.286 1.00 0.00 C ATOM 689 CD ARG A 43 -8.648 8.394 7.735 1.00 0.00 C ATOM 690 NE ARG A 43 -7.501 8.376 8.643 1.00 0.00 N ATOM 691 CZ ARG A 43 -7.550 8.692 9.931 1.00 0.00 C ATOM 692 NH1 ARG A 43 -8.699 9.037 10.502 1.00 0.00 N ATOM 693 NH2 ARG A 43 -6.436 8.649 10.647 1.00 0.00 N ATOM 0 H ARG A 43 -8.485 5.988 5.694 1.00 0.00 H new ATOM 0 HA ARG A 43 -10.937 7.250 6.328 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -8.964 8.297 4.294 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -9.961 9.201 5.417 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -7.541 7.513 6.128 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -7.608 9.264 6.078 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -9.247 9.286 7.918 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -9.288 7.534 7.934 1.00 0.00 H new ATOM 0 HE ARG A 43 -6.598 8.100 8.258 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -9.556 9.061 9.950 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -8.724 9.278 11.493 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -5.557 8.376 10.207 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -6.457 8.889 11.638 1.00 0.00 H new ATOM 707 N GLN A 44 -10.386 6.489 3.150 1.00 0.00 N ATOM 708 CA GLN A 44 -11.010 6.116 1.892 1.00 0.00 C ATOM 709 C GLN A 44 -11.285 4.624 1.937 1.00 0.00 C ATOM 710 O GLN A 44 -11.040 3.989 2.955 1.00 0.00 O ATOM 711 CB GLN A 44 -10.083 6.453 0.716 1.00 0.00 C ATOM 712 CG GLN A 44 -10.608 7.547 -0.205 1.00 0.00 C ATOM 713 CD GLN A 44 -11.722 7.073 -1.122 1.00 0.00 C ATOM 714 OE1 GLN A 44 -12.515 6.193 -0.773 1.00 0.00 O ATOM 715 NE2 GLN A 44 -11.773 7.643 -2.314 1.00 0.00 N ATOM 0 H GLN A 44 -9.368 6.418 3.144 1.00 0.00 H new ATOM 0 HA GLN A 44 -11.939 6.668 1.751 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -9.114 6.760 1.109 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -9.917 5.549 0.129 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -10.972 8.378 0.399 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -9.786 7.929 -0.810 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -11.098 8.367 -2.563 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -12.487 7.359 -2.985 1.00 0.00 H new ATOM 724 N LYS A 45 -11.816 4.064 0.871 1.00 0.00 N ATOM 725 CA LYS A 45 -12.010 2.626 0.824 1.00 0.00 C ATOM 726 C LYS A 45 -11.085 1.999 -0.207 1.00 0.00 C ATOM 727 O LYS A 45 -10.544 0.919 0.013 1.00 0.00 O ATOM 728 CB LYS A 45 -13.478 2.282 0.553 1.00 0.00 C ATOM 729 CG LYS A 45 -14.415 2.821 1.624 1.00 0.00 C ATOM 730 CD LYS A 45 -13.883 2.518 3.020 1.00 0.00 C ATOM 731 CE LYS A 45 -14.704 3.203 4.097 1.00 0.00 C ATOM 732 NZ LYS A 45 -14.028 3.162 5.422 1.00 0.00 N ATOM 0 H LYS A 45 -12.117 4.569 0.038 1.00 0.00 H new ATOM 0 HA LYS A 45 -11.754 2.208 1.797 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.769 2.688 -0.416 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.588 1.199 0.491 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.532 3.898 1.501 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.403 2.378 1.504 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -13.892 1.441 3.186 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -12.845 2.843 3.092 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -14.882 4.240 3.813 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -15.679 2.721 4.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -14.651 3.580 6.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -13.819 2.175 5.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -13.141 3.703 5.376 1.00 0.00 H new ATOM 746 N TYR A 46 -10.887 2.692 -1.320 1.00 0.00 N ATOM 747 CA TYR A 46 -9.964 2.242 -2.348 1.00 0.00 C ATOM 748 C TYR A 46 -9.306 3.428 -3.041 1.00 0.00 C ATOM 749 O TYR A 46 -9.618 4.584 -2.746 1.00 0.00 O ATOM 750 CB TYR A 46 -10.679 1.371 -3.384 1.00 0.00 C ATOM 751 CG TYR A 46 -10.985 -0.030 -2.904 1.00 0.00 C ATOM 752 CD1 TYR A 46 -9.966 -0.871 -2.472 1.00 0.00 C ATOM 753 CD2 TYR A 46 -12.288 -0.509 -2.885 1.00 0.00 C ATOM 754 CE1 TYR A 46 -10.238 -2.153 -2.035 1.00 0.00 C ATOM 755 CE2 TYR A 46 -12.570 -1.791 -2.450 1.00 0.00 C ATOM 756 CZ TYR A 46 -11.541 -2.609 -2.027 1.00 0.00 C ATOM 757 OH TYR A 46 -11.815 -3.886 -1.594 1.00 0.00 O ATOM 0 H TYR A 46 -11.357 3.572 -1.533 1.00 0.00 H new ATOM 0 HA TYR A 46 -9.193 1.645 -1.860 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -11.611 1.857 -3.671 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -10.062 1.310 -4.280 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -8.946 -0.517 -2.478 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -13.094 0.130 -3.215 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -9.436 -2.795 -1.702 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -13.588 -2.150 -2.441 1.00 0.00 H new ATOM 0 HH TYR A 46 -12.779 -4.051 -1.650 1.00 0.00 H new ATOM 767 N LEU A 47 -8.395 3.134 -3.955 1.00 0.00 N ATOM 768 CA LEU A 47 -7.703 4.163 -4.710 1.00 0.00 C ATOM 769 C LEU A 47 -8.355 4.342 -6.070 1.00 0.00 C ATOM 770 O LEU A 47 -8.712 3.366 -6.730 1.00 0.00 O ATOM 771 CB LEU A 47 -6.235 3.787 -4.897 1.00 0.00 C ATOM 772 CG LEU A 47 -5.434 3.622 -3.605 1.00 0.00 C ATOM 773 CD1 LEU A 47 -4.071 3.015 -3.898 1.00 0.00 C ATOM 774 CD2 LEU A 47 -5.275 4.959 -2.895 1.00 0.00 C ATOM 0 H LEU A 47 -8.117 2.182 -4.192 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.765 5.098 -4.154 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.184 2.854 -5.458 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.756 4.552 -5.507 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.983 2.947 -2.948 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.514 2.905 -2.967 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.200 2.037 -4.362 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.520 3.668 -4.575 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.702 4.818 -1.978 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.750 5.657 -3.547 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -6.258 5.360 -2.650 1.00 0.00 H new ATOM 786 N SER A 48 -8.514 5.585 -6.480 1.00 0.00 N ATOM 787 CA SER A 48 -9.058 5.892 -7.781 1.00 0.00 C ATOM 788 C SER A 48 -7.932 6.039 -8.789 1.00 0.00 C ATOM 789 O SER A 48 -6.755 5.911 -8.439 1.00 0.00 O ATOM 790 CB SER A 48 -9.891 7.172 -7.713 1.00 0.00 C ATOM 791 OG SER A 48 -9.141 8.240 -7.161 1.00 0.00 O ATOM 0 H SER A 48 -8.270 6.403 -5.922 1.00 0.00 H new ATOM 0 HA SER A 48 -9.707 5.076 -8.100 1.00 0.00 H new ATOM 0 HB2 SER A 48 -10.232 7.441 -8.713 1.00 0.00 H new ATOM 0 HB3 SER A 48 -10.781 6.998 -7.109 1.00 0.00 H new ATOM 0 HG SER A 48 -9.696 9.047 -7.130 1.00 0.00 H new ATOM 797 N LEU A 49 -8.296 6.311 -10.028 1.00 0.00 N ATOM 798 CA LEU A 49 -7.321 6.462 -11.101 1.00 0.00 C ATOM 799 C LEU A 49 -6.362 7.611 -10.800 1.00 0.00 C ATOM 800 O LEU A 49 -5.163 7.522 -11.070 1.00 0.00 O ATOM 801 CB LEU A 49 -8.025 6.704 -12.439 1.00 0.00 C ATOM 802 CG LEU A 49 -7.091 6.851 -13.642 1.00 0.00 C ATOM 803 CD1 LEU A 49 -6.307 5.568 -13.875 1.00 0.00 C ATOM 804 CD2 LEU A 49 -7.882 7.222 -14.884 1.00 0.00 C ATOM 0 H LEU A 49 -9.265 6.433 -10.321 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.748 5.537 -11.169 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -8.709 5.877 -12.628 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.631 7.606 -12.356 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.382 7.651 -13.429 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.649 5.695 -14.735 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.710 5.341 -12.992 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.999 4.748 -14.065 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -7.203 7.323 -15.731 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -8.613 6.442 -15.096 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -8.398 8.168 -14.718 1.00 0.00 H new ATOM 816 N GLN A 50 -6.894 8.679 -10.221 1.00 0.00 N ATOM 817 CA GLN A 50 -6.076 9.832 -9.871 1.00 0.00 C ATOM 818 C GLN A 50 -5.215 9.508 -8.654 1.00 0.00 C ATOM 819 O GLN A 50 -4.022 9.797 -8.626 1.00 0.00 O ATOM 820 CB GLN A 50 -6.952 11.052 -9.578 1.00 0.00 C ATOM 821 CG GLN A 50 -6.274 12.375 -9.899 1.00 0.00 C ATOM 822 CD GLN A 50 -7.020 13.562 -9.335 1.00 0.00 C ATOM 823 OE1 GLN A 50 -7.953 14.075 -9.953 1.00 0.00 O ATOM 824 NE2 GLN A 50 -6.585 14.037 -8.180 1.00 0.00 N ATOM 0 H GLN A 50 -7.882 8.771 -9.985 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.431 10.066 -10.718 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -7.873 10.975 -10.155 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -7.234 11.043 -8.525 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.260 12.365 -9.500 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.191 12.483 -10.980 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.809 13.581 -7.701 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.026 14.859 -7.768 1.00 0.00 H new ATOM 833 N GLN A 51 -5.826 8.865 -7.666 1.00 0.00 N ATOM 834 CA GLN A 51 -5.142 8.553 -6.422 1.00 0.00 C ATOM 835 C GLN A 51 -3.962 7.608 -6.646 1.00 0.00 C ATOM 836 O GLN A 51 -2.911 7.781 -6.043 1.00 0.00 O ATOM 837 CB GLN A 51 -6.124 7.952 -5.417 1.00 0.00 C ATOM 838 CG GLN A 51 -7.136 8.955 -4.884 1.00 0.00 C ATOM 839 CD GLN A 51 -8.184 8.322 -3.985 1.00 0.00 C ATOM 840 OE1 GLN A 51 -9.323 8.786 -3.916 1.00 0.00 O ATOM 841 NE2 GLN A 51 -7.810 7.264 -3.284 1.00 0.00 N ATOM 0 H GLN A 51 -6.795 8.550 -7.705 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.744 9.484 -6.019 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -6.656 7.127 -5.890 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -5.565 7.533 -4.581 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -6.611 9.732 -4.329 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -7.632 9.443 -5.723 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -6.858 6.908 -3.367 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -8.474 6.805 -2.661 1.00 0.00 H new ATOM 850 N MET A 52 -4.130 6.625 -7.526 1.00 0.00 N ATOM 851 CA MET A 52 -3.076 5.634 -7.765 1.00 0.00 C ATOM 852 C MET A 52 -1.861 6.255 -8.455 1.00 0.00 C ATOM 853 O MET A 52 -0.723 5.926 -8.118 1.00 0.00 O ATOM 854 CB MET A 52 -3.604 4.443 -8.577 1.00 0.00 C ATOM 855 CG MET A 52 -4.072 4.797 -9.976 1.00 0.00 C ATOM 856 SD MET A 52 -4.664 3.363 -10.899 1.00 0.00 S ATOM 857 CE MET A 52 -6.010 2.816 -9.850 1.00 0.00 C ATOM 0 H MET A 52 -4.975 6.491 -8.082 1.00 0.00 H new ATOM 0 HA MET A 52 -2.756 5.268 -6.789 1.00 0.00 H new ATOM 0 HB2 MET A 52 -2.818 3.691 -8.649 1.00 0.00 H new ATOM 0 HB3 MET A 52 -4.432 3.987 -8.034 1.00 0.00 H new ATOM 0 HG2 MET A 52 -4.870 5.536 -9.911 1.00 0.00 H new ATOM 0 HG3 MET A 52 -3.251 5.261 -10.522 1.00 0.00 H new ATOM 0 HE1 MET A 52 -6.639 2.116 -10.400 1.00 0.00 H new ATOM 0 HE2 MET A 52 -5.605 2.322 -8.967 1.00 0.00 H new ATOM 0 HE3 MET A 52 -6.606 3.676 -9.544 1.00 0.00 H new ATOM 867 N GLN A 53 -2.089 7.163 -9.397 1.00 0.00 N ATOM 868 CA GLN A 53 -0.980 7.778 -10.118 1.00 0.00 C ATOM 869 C GLN A 53 -0.255 8.787 -9.230 1.00 0.00 C ATOM 870 O GLN A 53 0.977 8.855 -9.227 1.00 0.00 O ATOM 871 CB GLN A 53 -1.446 8.429 -11.430 1.00 0.00 C ATOM 872 CG GLN A 53 -2.513 9.493 -11.261 1.00 0.00 C ATOM 873 CD GLN A 53 -2.848 10.201 -12.559 1.00 0.00 C ATOM 874 OE1 GLN A 53 -2.734 9.499 -13.678 1.00 0.00 O flip ATOM 875 NE2 GLN A 53 -3.212 11.374 -12.558 1.00 0.00 N flip ATOM 0 H GLN A 53 -3.015 7.486 -9.676 1.00 0.00 H new ATOM 0 HA GLN A 53 -0.278 6.988 -10.383 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.583 8.873 -11.926 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -1.828 7.651 -12.091 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -3.416 9.034 -10.859 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -2.175 10.227 -10.529 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -3.288 11.884 -11.678 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -3.438 11.839 -13.437 1.00 0.00 H new ATOM 884 N GLU A 54 -1.017 9.549 -8.452 1.00 0.00 N ATOM 885 CA GLU A 54 -0.428 10.537 -7.563 1.00 0.00 C ATOM 886 C GLU A 54 0.270 9.860 -6.388 1.00 0.00 C ATOM 887 O GLU A 54 1.343 10.290 -5.970 1.00 0.00 O ATOM 888 CB GLU A 54 -1.484 11.530 -7.072 1.00 0.00 C ATOM 889 CG GLU A 54 -2.107 12.343 -8.197 1.00 0.00 C ATOM 890 CD GLU A 54 -2.989 13.470 -7.695 1.00 0.00 C ATOM 891 OE1 GLU A 54 -4.158 13.207 -7.343 1.00 0.00 O ATOM 892 OE2 GLU A 54 -2.510 14.629 -7.656 1.00 0.00 O ATOM 0 H GLU A 54 -2.035 9.500 -8.421 1.00 0.00 H new ATOM 0 HA GLU A 54 0.321 11.094 -8.126 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.269 10.986 -6.547 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.029 12.208 -6.350 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.315 12.759 -8.819 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.697 11.682 -8.832 1.00 0.00 H new ATOM 899 N LEU A 55 -0.323 8.784 -5.871 1.00 0.00 N ATOM 900 CA LEU A 55 0.291 8.030 -4.781 1.00 0.00 C ATOM 901 C LEU A 55 1.634 7.463 -5.222 1.00 0.00 C ATOM 902 O LEU A 55 2.597 7.446 -4.454 1.00 0.00 O ATOM 903 CB LEU A 55 -0.630 6.903 -4.315 1.00 0.00 C ATOM 904 CG LEU A 55 -0.149 6.139 -3.083 1.00 0.00 C ATOM 905 CD1 LEU A 55 -0.091 7.055 -1.872 1.00 0.00 C ATOM 906 CD2 LEU A 55 -1.055 4.956 -2.803 1.00 0.00 C ATOM 0 H LEU A 55 -1.221 8.418 -6.187 1.00 0.00 H new ATOM 0 HA LEU A 55 0.453 8.710 -3.944 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.613 7.323 -4.102 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.757 6.196 -5.135 1.00 0.00 H new ATOM 0 HG LEU A 55 0.856 5.768 -3.284 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.254 6.491 -1.005 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.599 7.875 -2.069 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.084 7.457 -1.672 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.697 4.424 -1.922 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.071 5.310 -2.625 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -1.050 4.283 -3.660 1.00 0.00 H new ATOM 918 N SER A 56 1.680 7.004 -6.465 1.00 0.00 N ATOM 919 CA SER A 56 2.920 6.564 -7.083 1.00 0.00 C ATOM 920 C SER A 56 3.996 7.643 -6.976 1.00 0.00 C ATOM 921 O SER A 56 5.135 7.360 -6.593 1.00 0.00 O ATOM 922 CB SER A 56 2.661 6.205 -8.552 1.00 0.00 C ATOM 923 OG SER A 56 3.867 6.055 -9.281 1.00 0.00 O ATOM 0 H SER A 56 0.862 6.927 -7.070 1.00 0.00 H new ATOM 0 HA SER A 56 3.282 5.681 -6.556 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.088 5.279 -8.604 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.052 6.982 -9.014 1.00 0.00 H new ATOM 0 HG SER A 56 4.555 5.671 -8.699 1.00 0.00 H new ATOM 929 N ASN A 57 3.630 8.874 -7.308 1.00 0.00 N ATOM 930 CA ASN A 57 4.555 9.996 -7.217 1.00 0.00 C ATOM 931 C ASN A 57 5.011 10.210 -5.775 1.00 0.00 C ATOM 932 O ASN A 57 6.189 10.464 -5.520 1.00 0.00 O ATOM 933 CB ASN A 57 3.902 11.274 -7.755 1.00 0.00 C ATOM 934 CG ASN A 57 4.800 12.491 -7.619 1.00 0.00 C ATOM 935 OD1 ASN A 57 4.772 13.188 -6.604 1.00 0.00 O ATOM 936 ND2 ASN A 57 5.594 12.764 -8.642 1.00 0.00 N ATOM 0 H ASN A 57 2.699 9.121 -7.643 1.00 0.00 H new ATOM 0 HA ASN A 57 5.429 9.762 -7.825 1.00 0.00 H new ATOM 0 HB2 ASN A 57 3.645 11.132 -8.805 1.00 0.00 H new ATOM 0 HB3 ASN A 57 2.969 11.454 -7.220 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.211 13.576 -8.606 1.00 0.00 H new ATOM 0 HD22 ASN A 57 5.589 12.163 -9.466 1.00 0.00 H new ATOM 943 N ILE A 58 4.082 10.068 -4.834 1.00 0.00 N ATOM 944 CA ILE A 58 4.362 10.349 -3.433 1.00 0.00 C ATOM 945 C ILE A 58 5.263 9.282 -2.826 1.00 0.00 C ATOM 946 O ILE A 58 6.265 9.601 -2.187 1.00 0.00 O ATOM 947 CB ILE A 58 3.064 10.449 -2.602 1.00 0.00 C ATOM 948 CG1 ILE A 58 2.094 11.428 -3.265 1.00 0.00 C ATOM 949 CG2 ILE A 58 3.377 10.884 -1.174 1.00 0.00 C ATOM 950 CD1 ILE A 58 0.836 11.690 -2.462 1.00 0.00 C ATOM 0 H ILE A 58 3.128 9.759 -5.019 1.00 0.00 H new ATOM 0 HA ILE A 58 4.874 11.311 -3.403 1.00 0.00 H new ATOM 0 HB ILE A 58 2.594 9.466 -2.562 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.608 12.374 -3.434 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.813 11.038 -4.244 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.451 10.949 -0.602 1.00 0.00 H new ATOM 0 HG22 ILE A 58 4.040 10.155 -0.709 1.00 0.00 H new ATOM 0 HG23 ILE A 58 3.864 11.859 -1.189 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.201 12.394 -3.000 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.297 10.754 -2.315 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.104 12.111 -1.493 1.00 0.00 H new ATOM 962 N LEU A 59 4.924 8.016 -3.051 1.00 0.00 N ATOM 963 CA LEU A 59 5.662 6.916 -2.441 1.00 0.00 C ATOM 964 C LEU A 59 6.967 6.638 -3.174 1.00 0.00 C ATOM 965 O LEU A 59 7.723 5.742 -2.792 1.00 0.00 O ATOM 966 CB LEU A 59 4.809 5.645 -2.395 1.00 0.00 C ATOM 967 CG LEU A 59 3.568 5.725 -1.506 1.00 0.00 C ATOM 968 CD1 LEU A 59 2.795 4.419 -1.564 1.00 0.00 C ATOM 969 CD2 LEU A 59 3.947 6.051 -0.069 1.00 0.00 C ATOM 0 H LEU A 59 4.148 7.728 -3.647 1.00 0.00 H new ATOM 0 HA LEU A 59 5.903 7.219 -1.422 1.00 0.00 H new ATOM 0 HB2 LEU A 59 4.494 5.401 -3.410 1.00 0.00 H new ATOM 0 HB3 LEU A 59 5.432 4.821 -2.048 1.00 0.00 H new ATOM 0 HG LEU A 59 2.933 6.528 -1.880 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.914 4.489 -0.927 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.486 4.225 -2.591 1.00 0.00 H new ATOM 0 HD13 LEU A 59 3.430 3.604 -1.216 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.046 6.102 0.542 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.605 5.274 0.319 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.462 7.011 -0.037 1.00 0.00 H new ATOM 981 N ASN A 60 7.220 7.413 -4.225 1.00 0.00 N ATOM 982 CA ASN A 60 8.441 7.290 -5.019 1.00 0.00 C ATOM 983 C ASN A 60 8.488 5.923 -5.709 1.00 0.00 C ATOM 984 O ASN A 60 9.549 5.411 -6.061 1.00 0.00 O ATOM 985 CB ASN A 60 9.675 7.517 -4.123 1.00 0.00 C ATOM 986 CG ASN A 60 10.950 7.785 -4.905 1.00 0.00 C ATOM 987 OD1 ASN A 60 11.204 8.915 -5.322 1.00 0.00 O ATOM 988 ND2 ASN A 60 11.780 6.768 -5.066 1.00 0.00 N ATOM 0 H ASN A 60 6.586 8.143 -4.551 1.00 0.00 H new ATOM 0 HA ASN A 60 8.446 8.053 -5.797 1.00 0.00 H new ATOM 0 HB2 ASN A 60 9.482 8.359 -3.458 1.00 0.00 H new ATOM 0 HB3 ASN A 60 9.822 6.640 -3.492 1.00 0.00 H new ATOM 0 HD21 ASN A 60 12.667 6.905 -5.550 1.00 0.00 H new ATOM 0 HD22 ASN A 60 11.533 5.846 -4.706 1.00 0.00 H new ATOM 995 N LEU A 61 7.313 5.351 -5.928 1.00 0.00 N ATOM 996 CA LEU A 61 7.199 4.045 -6.562 1.00 0.00 C ATOM 997 C LEU A 61 6.636 4.198 -7.964 1.00 0.00 C ATOM 998 O LEU A 61 6.241 5.291 -8.364 1.00 0.00 O ATOM 999 CB LEU A 61 6.301 3.121 -5.735 1.00 0.00 C ATOM 1000 CG LEU A 61 6.803 2.819 -4.323 1.00 0.00 C ATOM 1001 CD1 LEU A 61 5.807 1.943 -3.579 1.00 0.00 C ATOM 1002 CD2 LEU A 61 8.167 2.147 -4.375 1.00 0.00 C ATOM 0 H LEU A 61 6.420 5.774 -5.674 1.00 0.00 H new ATOM 0 HA LEU A 61 8.192 3.600 -6.621 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.311 3.572 -5.663 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.184 2.179 -6.271 1.00 0.00 H new ATOM 0 HG LEU A 61 6.903 3.761 -3.784 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.181 1.738 -2.576 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.849 2.458 -3.511 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.676 1.004 -4.116 1.00 0.00 H new ATOM 0 HD21 LEU A 61 8.509 1.939 -3.361 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.091 1.213 -4.931 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.879 2.807 -4.870 1.00 0.00 H new ATOM 1014 N SER A 62 6.607 3.105 -8.700 1.00 0.00 N ATOM 1015 CA SER A 62 6.090 3.116 -10.055 1.00 0.00 C ATOM 1016 C SER A 62 4.569 3.032 -10.057 1.00 0.00 C ATOM 1017 O SER A 62 3.967 2.420 -9.171 1.00 0.00 O ATOM 1018 CB SER A 62 6.688 1.950 -10.845 1.00 0.00 C ATOM 1019 OG SER A 62 6.057 1.793 -12.106 1.00 0.00 O ATOM 0 H SER A 62 6.937 2.194 -8.381 1.00 0.00 H new ATOM 0 HA SER A 62 6.376 4.055 -10.529 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.755 2.118 -10.990 1.00 0.00 H new ATOM 0 HB3 SER A 62 6.586 1.030 -10.270 1.00 0.00 H new ATOM 0 HG SER A 62 6.465 1.041 -12.584 1.00 0.00 H new ATOM 1025 N TYR A 63 3.961 3.654 -11.058 1.00 0.00 N ATOM 1026 CA TYR A 63 2.521 3.598 -11.251 1.00 0.00 C ATOM 1027 C TYR A 63 2.093 2.157 -11.478 1.00 0.00 C ATOM 1028 O TYR A 63 1.022 1.742 -11.046 1.00 0.00 O ATOM 1029 CB TYR A 63 2.125 4.469 -12.451 1.00 0.00 C ATOM 1030 CG TYR A 63 0.694 4.290 -12.911 1.00 0.00 C ATOM 1031 CD1 TYR A 63 -0.355 4.900 -12.236 1.00 0.00 C ATOM 1032 CD2 TYR A 63 0.395 3.509 -14.023 1.00 0.00 C ATOM 1033 CE1 TYR A 63 -1.661 4.735 -12.658 1.00 0.00 C ATOM 1034 CE2 TYR A 63 -0.907 3.342 -14.448 1.00 0.00 C ATOM 1035 CZ TYR A 63 -1.931 3.955 -13.763 1.00 0.00 C ATOM 1036 OH TYR A 63 -3.230 3.791 -14.186 1.00 0.00 O ATOM 0 H TYR A 63 4.453 4.210 -11.757 1.00 0.00 H new ATOM 0 HA TYR A 63 2.019 3.979 -10.362 1.00 0.00 H new ATOM 0 HB2 TYR A 63 2.282 5.516 -12.191 1.00 0.00 H new ATOM 0 HB3 TYR A 63 2.792 4.244 -13.283 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -0.148 5.511 -11.370 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.196 3.025 -14.563 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -2.468 5.215 -12.124 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -1.121 2.733 -15.314 1.00 0.00 H new ATOM 0 HH TYR A 63 -3.243 3.657 -15.157 1.00 0.00 H new ATOM 1046 N LYS A 64 2.956 1.394 -12.134 1.00 0.00 N ATOM 1047 CA LYS A 64 2.688 -0.002 -12.407 1.00 0.00 C ATOM 1048 C LYS A 64 2.696 -0.792 -11.111 1.00 0.00 C ATOM 1049 O LYS A 64 1.908 -1.720 -10.930 1.00 0.00 O ATOM 1050 CB LYS A 64 3.732 -0.555 -13.370 1.00 0.00 C ATOM 1051 CG LYS A 64 3.790 0.178 -14.701 1.00 0.00 C ATOM 1052 CD LYS A 64 2.471 0.091 -15.453 1.00 0.00 C ATOM 1053 CE LYS A 64 2.546 0.800 -16.798 1.00 0.00 C ATOM 1054 NZ LYS A 64 3.590 0.210 -17.677 1.00 0.00 N ATOM 0 H LYS A 64 3.853 1.726 -12.487 1.00 0.00 H new ATOM 0 HA LYS A 64 1.705 -0.093 -12.868 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.712 -0.505 -12.896 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.520 -1.608 -13.555 1.00 0.00 H new ATOM 0 HG2 LYS A 64 4.042 1.224 -14.529 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.586 -0.244 -15.314 1.00 0.00 H new ATOM 0 HD2 LYS A 64 2.207 -0.955 -15.607 1.00 0.00 H new ATOM 0 HD3 LYS A 64 1.678 0.534 -14.851 1.00 0.00 H new ATOM 0 HE2 LYS A 64 1.577 0.741 -17.294 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.759 1.857 -16.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 3.457 0.550 -18.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.531 0.494 -17.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.514 -0.827 -17.659 1.00 0.00 H new ATOM 1068 N GLN A 65 3.582 -0.402 -10.204 1.00 0.00 N ATOM 1069 CA GLN A 65 3.669 -1.038 -8.903 1.00 0.00 C ATOM 1070 C GLN A 65 2.424 -0.728 -8.082 1.00 0.00 C ATOM 1071 O GLN A 65 1.849 -1.618 -7.457 1.00 0.00 O ATOM 1072 CB GLN A 65 4.918 -0.570 -8.154 1.00 0.00 C ATOM 1073 CG GLN A 65 6.224 -1.016 -8.791 1.00 0.00 C ATOM 1074 CD GLN A 65 7.439 -0.523 -8.024 1.00 0.00 C ATOM 1075 OE1 GLN A 65 7.963 0.557 -8.295 1.00 0.00 O ATOM 1076 NE2 GLN A 65 7.890 -1.305 -7.058 1.00 0.00 N ATOM 0 H GLN A 65 4.251 0.354 -10.349 1.00 0.00 H new ATOM 0 HA GLN A 65 3.738 -2.115 -9.053 1.00 0.00 H new ATOM 0 HB2 GLN A 65 4.907 0.518 -8.095 1.00 0.00 H new ATOM 0 HB3 GLN A 65 4.878 -0.945 -7.131 1.00 0.00 H new ATOM 0 HG2 GLN A 65 6.247 -2.105 -8.843 1.00 0.00 H new ATOM 0 HG3 GLN A 65 6.270 -0.647 -9.816 1.00 0.00 H new ATOM 0 HE21 GLN A 65 7.428 -2.193 -6.864 1.00 0.00 H new ATOM 0 HE22 GLN A 65 8.700 -1.020 -6.507 1.00 0.00 H new ATOM 1085 N VAL A 66 2.001 0.532 -8.108 1.00 0.00 N ATOM 1086 CA VAL A 66 0.832 0.953 -7.339 1.00 0.00 C ATOM 1087 C VAL A 66 -0.450 0.367 -7.937 1.00 0.00 C ATOM 1088 O VAL A 66 -1.313 -0.139 -7.217 1.00 0.00 O ATOM 1089 CB VAL A 66 0.724 2.497 -7.255 1.00 0.00 C ATOM 1090 CG1 VAL A 66 -0.505 2.912 -6.458 1.00 0.00 C ATOM 1091 CG2 VAL A 66 1.979 3.081 -6.630 1.00 0.00 C ATOM 0 H VAL A 66 2.445 1.275 -8.648 1.00 0.00 H new ATOM 0 HA VAL A 66 0.958 0.571 -6.326 1.00 0.00 H new ATOM 0 HB VAL A 66 0.622 2.887 -8.268 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.559 4.000 -6.413 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.401 2.524 -6.942 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.436 2.510 -5.447 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.888 4.166 -6.578 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.106 2.679 -5.625 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.845 2.818 -7.238 1.00 0.00 H new ATOM 1101 N LYS A 67 -0.544 0.404 -9.261 1.00 0.00 N ATOM 1102 CA LYS A 67 -1.722 -0.073 -9.978 1.00 0.00 C ATOM 1103 C LYS A 67 -1.927 -1.572 -9.774 1.00 0.00 C ATOM 1104 O LYS A 67 -3.019 -2.020 -9.419 1.00 0.00 O ATOM 1105 CB LYS A 67 -1.567 0.234 -11.469 1.00 0.00 C ATOM 1106 CG LYS A 67 -2.814 -0.013 -12.297 1.00 0.00 C ATOM 1107 CD LYS A 67 -2.543 0.233 -13.772 1.00 0.00 C ATOM 1108 CE LYS A 67 -3.825 0.270 -14.584 1.00 0.00 C ATOM 1109 NZ LYS A 67 -4.715 1.383 -14.157 1.00 0.00 N ATOM 0 H LYS A 67 0.193 0.765 -9.867 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.598 0.441 -9.583 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.272 1.277 -11.583 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -0.755 -0.373 -11.869 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -3.155 -1.038 -12.152 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.617 0.641 -11.957 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -2.010 1.177 -13.891 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -1.892 -0.551 -14.157 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -3.583 0.382 -15.641 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.351 -0.678 -14.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -5.467 1.517 -14.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.141 1.153 -13.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -4.160 2.258 -14.072 1.00 0.00 H new ATOM 1123 N THR A 68 -0.867 -2.335 -9.994 1.00 0.00 N ATOM 1124 CA THR A 68 -0.931 -3.786 -9.897 1.00 0.00 C ATOM 1125 C THR A 68 -1.199 -4.233 -8.459 1.00 0.00 C ATOM 1126 O THR A 68 -1.925 -5.201 -8.228 1.00 0.00 O ATOM 1127 CB THR A 68 0.370 -4.433 -10.419 1.00 0.00 C ATOM 1128 OG1 THR A 68 0.640 -3.965 -11.746 1.00 0.00 O ATOM 1129 CG2 THR A 68 0.266 -5.953 -10.437 1.00 0.00 C ATOM 0 H THR A 68 0.053 -1.971 -10.242 1.00 0.00 H new ATOM 0 HA THR A 68 -1.760 -4.119 -10.521 1.00 0.00 H new ATOM 0 HB THR A 68 1.180 -4.151 -9.746 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.121 -3.112 -11.701 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.198 -6.377 -10.810 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.080 -6.317 -9.427 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.555 -6.254 -11.088 1.00 0.00 H new ATOM 1137 N TRP A 69 -0.631 -3.509 -7.499 1.00 0.00 N ATOM 1138 CA TRP A 69 -0.821 -3.828 -6.088 1.00 0.00 C ATOM 1139 C TRP A 69 -2.287 -3.660 -5.708 1.00 0.00 C ATOM 1140 O TRP A 69 -2.895 -4.556 -5.118 1.00 0.00 O ATOM 1141 CB TRP A 69 0.067 -2.927 -5.223 1.00 0.00 C ATOM 1142 CG TRP A 69 0.089 -3.310 -3.777 1.00 0.00 C ATOM 1143 CD1 TRP A 69 0.641 -4.436 -3.234 1.00 0.00 C ATOM 1144 CD2 TRP A 69 -0.452 -2.562 -2.683 1.00 0.00 C ATOM 1145 NE1 TRP A 69 0.468 -4.437 -1.874 1.00 0.00 N ATOM 1146 CE2 TRP A 69 -0.199 -3.298 -1.510 1.00 0.00 C ATOM 1147 CE3 TRP A 69 -1.128 -1.344 -2.582 1.00 0.00 C ATOM 1148 CZ2 TRP A 69 -0.597 -2.854 -0.254 1.00 0.00 C ATOM 1149 CZ3 TRP A 69 -1.523 -0.906 -1.334 1.00 0.00 C ATOM 1150 CH2 TRP A 69 -1.257 -1.658 -0.186 1.00 0.00 C ATOM 0 H TRP A 69 -0.036 -2.699 -7.672 1.00 0.00 H new ATOM 0 HA TRP A 69 -0.535 -4.866 -5.915 1.00 0.00 H new ATOM 0 HB2 TRP A 69 1.085 -2.954 -5.612 1.00 0.00 H new ATOM 0 HB3 TRP A 69 -0.280 -1.898 -5.311 1.00 0.00 H new ATOM 0 HD1 TRP A 69 1.141 -5.212 -3.795 1.00 0.00 H new ATOM 0 HE1 TRP A 69 0.785 -5.168 -1.237 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -1.338 -0.756 -3.463 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 -0.393 -3.432 0.635 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -2.047 0.034 -1.243 1.00 0.00 H new ATOM 0 HH2 TRP A 69 -1.580 -1.287 0.775 1.00 0.00 H new ATOM 1161 N PHE A 70 -2.851 -2.521 -6.089 1.00 0.00 N ATOM 1162 CA PHE A 70 -4.255 -2.223 -5.831 1.00 0.00 C ATOM 1163 C PHE A 70 -5.174 -3.254 -6.485 1.00 0.00 C ATOM 1164 O PHE A 70 -6.167 -3.685 -5.892 1.00 0.00 O ATOM 1165 CB PHE A 70 -4.583 -0.819 -6.348 1.00 0.00 C ATOM 1166 CG PHE A 70 -6.055 -0.518 -6.411 1.00 0.00 C ATOM 1167 CD1 PHE A 70 -6.771 -0.248 -5.257 1.00 0.00 C ATOM 1168 CD2 PHE A 70 -6.721 -0.514 -7.627 1.00 0.00 C ATOM 1169 CE1 PHE A 70 -8.125 0.019 -5.315 1.00 0.00 C ATOM 1170 CE2 PHE A 70 -8.074 -0.246 -7.689 1.00 0.00 C ATOM 1171 CZ PHE A 70 -8.776 0.021 -6.531 1.00 0.00 C ATOM 0 H PHE A 70 -2.352 -1.781 -6.583 1.00 0.00 H new ATOM 0 HA PHE A 70 -4.423 -2.266 -4.755 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -4.100 -0.084 -5.704 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -4.156 -0.701 -7.344 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -6.266 -0.246 -4.302 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.176 -0.723 -8.535 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -8.674 0.226 -4.408 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -8.582 -0.245 -8.642 1.00 0.00 H new ATOM 0 HZ PHE A 70 -9.834 0.231 -6.577 1.00 0.00 H new ATOM 1181 N GLN A 71 -4.841 -3.658 -7.704 1.00 0.00 N ATOM 1182 CA GLN A 71 -5.665 -4.610 -8.436 1.00 0.00 C ATOM 1183 C GLN A 71 -5.653 -5.978 -7.749 1.00 0.00 C ATOM 1184 O GLN A 71 -6.645 -6.708 -7.773 1.00 0.00 O ATOM 1185 CB GLN A 71 -5.178 -4.738 -9.883 1.00 0.00 C ATOM 1186 CG GLN A 71 -6.120 -5.537 -10.768 1.00 0.00 C ATOM 1187 CD GLN A 71 -7.509 -4.928 -10.833 1.00 0.00 C ATOM 1188 OE1 GLN A 71 -7.794 -4.097 -11.693 1.00 0.00 O ATOM 1189 NE2 GLN A 71 -8.379 -5.331 -9.918 1.00 0.00 N ATOM 0 H GLN A 71 -4.010 -3.343 -8.205 1.00 0.00 H new ATOM 0 HA GLN A 71 -6.690 -4.238 -8.444 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -5.052 -3.741 -10.306 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -4.197 -5.213 -9.888 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -5.705 -5.597 -11.774 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -6.191 -6.557 -10.391 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.103 -6.023 -9.221 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -9.325 -4.949 -9.911 1.00 0.00 H new ATOM 1198 N ASN A 72 -4.535 -6.300 -7.114 1.00 0.00 N ATOM 1199 CA ASN A 72 -4.352 -7.593 -6.464 1.00 0.00 C ATOM 1200 C ASN A 72 -5.046 -7.629 -5.116 1.00 0.00 C ATOM 1201 O ASN A 72 -5.726 -8.603 -4.790 1.00 0.00 O ATOM 1202 CB ASN A 72 -2.864 -7.917 -6.297 1.00 0.00 C ATOM 1203 CG ASN A 72 -2.285 -8.640 -7.499 1.00 0.00 C ATOM 1204 OD1 ASN A 72 -2.270 -9.869 -7.546 1.00 0.00 O ATOM 1205 ND2 ASN A 72 -1.812 -7.888 -8.479 1.00 0.00 N ATOM 0 H ASN A 72 -3.732 -5.677 -7.034 1.00 0.00 H new ATOM 0 HA ASN A 72 -4.803 -8.350 -7.106 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -2.311 -6.992 -6.133 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -2.728 -8.532 -5.407 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -1.417 -8.325 -9.312 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -1.843 -6.871 -8.402 1.00 0.00 H new ATOM 1212 N GLN A 73 -4.888 -6.560 -4.340 1.00 0.00 N ATOM 1213 CA GLN A 73 -5.530 -6.474 -3.035 1.00 0.00 C ATOM 1214 C GLN A 73 -7.042 -6.517 -3.209 1.00 0.00 C ATOM 1215 O GLN A 73 -7.764 -7.024 -2.356 1.00 0.00 O ATOM 1216 CB GLN A 73 -5.115 -5.194 -2.296 1.00 0.00 C ATOM 1217 CG GLN A 73 -5.720 -3.925 -2.873 1.00 0.00 C ATOM 1218 CD GLN A 73 -5.309 -2.678 -2.121 1.00 0.00 C ATOM 1219 OE1 GLN A 73 -4.321 -2.036 -2.458 1.00 0.00 O ATOM 1220 NE2 GLN A 73 -6.066 -2.329 -1.095 1.00 0.00 N ATOM 0 H GLN A 73 -4.325 -5.748 -4.591 1.00 0.00 H new ATOM 0 HA GLN A 73 -5.209 -7.324 -2.433 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -5.406 -5.280 -1.249 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -4.029 -5.109 -2.319 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -5.420 -3.828 -3.917 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -6.807 -4.009 -2.860 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -6.880 -2.891 -0.847 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -5.836 -1.498 -0.551 1.00 0.00 H new ATOM 1229 N ARG A 74 -7.511 -5.994 -4.335 1.00 0.00 N ATOM 1230 CA ARG A 74 -8.928 -5.999 -4.646 1.00 0.00 C ATOM 1231 C ARG A 74 -9.393 -7.416 -4.977 1.00 0.00 C ATOM 1232 O ARG A 74 -10.451 -7.852 -4.516 1.00 0.00 O ATOM 1233 CB ARG A 74 -9.208 -5.043 -5.819 1.00 0.00 C ATOM 1234 CG ARG A 74 -10.678 -4.669 -6.006 1.00 0.00 C ATOM 1235 CD ARG A 74 -11.502 -5.817 -6.569 1.00 0.00 C ATOM 1236 NE ARG A 74 -12.922 -5.488 -6.657 1.00 0.00 N ATOM 1237 CZ ARG A 74 -13.849 -5.964 -5.829 1.00 0.00 C ATOM 1238 NH1 ARG A 74 -13.503 -6.766 -4.825 1.00 0.00 N ATOM 1239 NH2 ARG A 74 -15.123 -5.640 -6.012 1.00 0.00 N ATOM 0 H ARG A 74 -6.925 -5.560 -5.048 1.00 0.00 H new ATOM 0 HA ARG A 74 -9.486 -5.654 -3.776 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -8.632 -4.130 -5.670 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -8.845 -5.503 -6.738 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -11.096 -4.361 -5.048 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -10.750 -3.812 -6.675 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -11.129 -6.077 -7.560 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -11.373 -6.697 -5.939 1.00 0.00 H new ATOM 0 HE ARG A 74 -13.222 -4.855 -7.398 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -12.524 -7.018 -4.688 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -14.217 -7.129 -4.193 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -15.388 -5.029 -6.784 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -15.837 -6.002 -5.380 1.00 0.00 H new ATOM 1253 N MET A 75 -8.605 -8.127 -5.781 1.00 0.00 N ATOM 1254 CA MET A 75 -9.036 -9.427 -6.287 1.00 0.00 C ATOM 1255 C MET A 75 -8.882 -10.560 -5.260 1.00 0.00 C ATOM 1256 O MET A 75 -9.871 -11.179 -4.869 1.00 0.00 O ATOM 1257 CB MET A 75 -8.320 -9.789 -7.603 1.00 0.00 C ATOM 1258 CG MET A 75 -6.803 -9.866 -7.507 1.00 0.00 C ATOM 1259 SD MET A 75 -6.034 -10.485 -9.017 1.00 0.00 S ATOM 1260 CE MET A 75 -6.544 -9.243 -10.202 1.00 0.00 C ATOM 0 H MET A 75 -7.680 -7.831 -6.092 1.00 0.00 H new ATOM 0 HA MET A 75 -10.103 -9.326 -6.487 1.00 0.00 H new ATOM 0 HB2 MET A 75 -8.697 -10.750 -7.952 1.00 0.00 H new ATOM 0 HB3 MET A 75 -8.585 -9.050 -8.359 1.00 0.00 H new ATOM 0 HG2 MET A 75 -6.407 -8.875 -7.284 1.00 0.00 H new ATOM 0 HG3 MET A 75 -6.529 -10.514 -6.674 1.00 0.00 H new ATOM 0 HE1 MET A 75 -7.215 -9.692 -10.934 1.00 0.00 H new ATOM 0 HE2 MET A 75 -7.061 -8.436 -9.683 1.00 0.00 H new ATOM 0 HE3 MET A 75 -5.667 -8.844 -10.711 1.00 0.00 H new ATOM 1270 N LYS A 76 -7.658 -10.823 -4.813 1.00 0.00 N ATOM 1271 CA LYS A 76 -7.364 -12.068 -4.095 1.00 0.00 C ATOM 1272 C LYS A 76 -7.596 -11.972 -2.589 1.00 0.00 C ATOM 1273 O LYS A 76 -7.753 -12.998 -1.923 1.00 0.00 O ATOM 1274 CB LYS A 76 -5.939 -12.549 -4.395 1.00 0.00 C ATOM 1275 CG LYS A 76 -4.847 -11.526 -4.112 1.00 0.00 C ATOM 1276 CD LYS A 76 -3.485 -12.045 -4.551 1.00 0.00 C ATOM 1277 CE LYS A 76 -3.450 -12.320 -6.050 1.00 0.00 C ATOM 1278 NZ LYS A 76 -2.176 -12.952 -6.482 1.00 0.00 N ATOM 0 H LYS A 76 -6.858 -10.201 -4.931 1.00 0.00 H new ATOM 0 HA LYS A 76 -8.075 -12.805 -4.467 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -5.741 -13.444 -3.805 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.882 -12.840 -5.444 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -5.071 -10.596 -4.634 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -4.826 -11.296 -3.047 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.717 -11.315 -4.296 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -3.250 -12.959 -4.006 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -4.283 -12.970 -6.317 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -3.590 -11.384 -6.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -2.202 -13.119 -7.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.381 -12.322 -6.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -2.053 -13.858 -5.987 1.00 0.00 H new