USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=17 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 130:sc= 1.06 USER MOD Set 1.2: A 67 LYS NZ :NH3+ 168:sc= 1.16 (180deg=-0.252) USER MOD Set 2.1: A 50 GLN :FLIP amide:sc= -0.488 F(o=-1.3,f=-0.28) USER MOD Set 2.2: A 53 GLN :FLIP amide:sc= 0.207 F(o=-1.3!,f=-0.28) USER MOD Set 3.1: A 38 ASN : amide:sc= -0.201 X(o=-0.87,f=-1!) USER MOD Set 3.2: A 42 GLN : amide:sc= -0.672 X(o=-0.87,f=-0.38) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.00524 USER MOD Single : A 33 GLN :FLIP amide:sc= 0 F(o=-0.88,f=0) USER MOD Single : A 35 CYS SG : rot 69:sc= 0.62 USER MOD Single : A 44 GLN : amide:sc= -0.152 K(o=-0.15,f=-1) 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 48 SER OG : rot 180:sc= -0.198 USER MOD Single : A 51 GLN : amide:sc= -1.27 X(o=-1.3,f=-1.5!) USER MOD Single : A 52 MET CE :methyl 157:sc= -0.257 (180deg=-1.05) USER MOD Single : A 56 SER OG : rot -90:sc= 0.459 USER MOD Single : A 57 ASN : amide:sc= -0.0707 X(o=-0.071,f=0) USER MOD Single : A 60 ASN : amide:sc= -0.0974 K(o=-0.097,f=-2.1!) USER MOD Single : A 62 SER OG : rot 170:sc= 0.0115 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.71 X(o=-0.71,f=-0.41) USER MOD Single : A 68 THR OG1 : rot 94:sc= 1.26 USER MOD Single : A 71 GLN : amide:sc= -0.318 K(o=-0.32,f=-0.87) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 73 GLN : amide:sc= -0.14 K(o=-0.14,f=-0.76) USER MOD Single : A 75 MET CE :methyl 170:sc= -0.58 (180deg=-0.886) USER MOD Single : A 76 LYS NZ :NH3+ 166:sc= -0.0198 (180deg=-0.234) USER MOD ----------------------------------------------------------------- ATOM 478 N SER A 30 8.758 -1.064 4.925 1.00 0.00 N ATOM 479 CA SER A 30 8.884 -0.047 5.948 1.00 0.00 C ATOM 480 C SER A 30 7.502 0.307 6.480 1.00 0.00 C ATOM 481 O SER A 30 6.509 0.202 5.753 1.00 0.00 O ATOM 482 CB SER A 30 9.574 1.196 5.369 1.00 0.00 C ATOM 483 OG SER A 30 9.759 2.195 6.358 1.00 0.00 O ATOM 0 HA SER A 30 9.493 -0.427 6.768 1.00 0.00 H new ATOM 0 HB2 SER A 30 10.540 0.915 4.949 1.00 0.00 H new ATOM 0 HB3 SER A 30 8.976 1.598 4.551 1.00 0.00 H new ATOM 0 HG SER A 30 10.202 2.973 5.959 1.00 0.00 H new ATOM 489 N SER A 31 7.438 0.738 7.732 1.00 0.00 N ATOM 490 CA SER A 31 6.172 1.112 8.335 1.00 0.00 C ATOM 491 C SER A 31 5.645 2.391 7.708 1.00 0.00 C ATOM 492 O SER A 31 4.447 2.538 7.512 1.00 0.00 O ATOM 493 CB SER A 31 6.332 1.285 9.845 1.00 0.00 C ATOM 494 OG SER A 31 6.696 0.059 10.460 1.00 0.00 O ATOM 0 H SER A 31 8.246 0.836 8.346 1.00 0.00 H new ATOM 0 HA SER A 31 5.452 0.314 8.152 1.00 0.00 H new ATOM 0 HB2 SER A 31 7.092 2.039 10.050 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.398 1.649 10.274 1.00 0.00 H new ATOM 0 HG SER A 31 6.795 0.194 11.426 1.00 0.00 H new ATOM 500 N THR A 32 6.560 3.287 7.353 1.00 0.00 N ATOM 501 CA THR A 32 6.200 4.573 6.779 1.00 0.00 C ATOM 502 C THR A 32 5.309 4.395 5.545 1.00 0.00 C ATOM 503 O THR A 32 4.297 5.081 5.393 1.00 0.00 O ATOM 504 CB THR A 32 7.468 5.366 6.400 1.00 0.00 C ATOM 505 OG1 THR A 32 8.397 5.339 7.495 1.00 0.00 O ATOM 506 CG2 THR A 32 7.123 6.807 6.058 1.00 0.00 C ATOM 0 H THR A 32 7.564 3.141 7.455 1.00 0.00 H new ATOM 0 HA THR A 32 5.641 5.131 7.530 1.00 0.00 H new ATOM 0 HB THR A 32 7.918 4.901 5.523 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.203 5.841 7.253 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.033 7.346 5.794 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.433 6.826 5.215 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.656 7.284 6.920 1.00 0.00 H new ATOM 514 N GLN A 33 5.669 3.446 4.688 1.00 0.00 N ATOM 515 CA GLN A 33 4.899 3.191 3.476 1.00 0.00 C ATOM 516 C GLN A 33 3.568 2.533 3.811 1.00 0.00 C ATOM 517 O GLN A 33 2.530 2.898 3.262 1.00 0.00 O ATOM 518 CB GLN A 33 5.689 2.308 2.512 1.00 0.00 C ATOM 519 CG GLN A 33 6.915 2.994 1.933 1.00 0.00 C ATOM 520 CD GLN A 33 7.746 2.076 1.056 1.00 0.00 C ATOM 521 OE1 GLN A 33 7.093 1.137 0.390 1.00 0.00 O flip ATOM 522 NE2 GLN A 33 8.964 2.216 0.973 1.00 0.00 N flip ATOM 0 H GLN A 33 6.484 2.844 4.808 1.00 0.00 H new ATOM 0 HA GLN A 33 4.703 4.149 2.994 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.000 1.402 3.033 1.00 0.00 H new ATOM 0 HB3 GLN A 33 5.036 1.998 1.696 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.600 3.859 1.349 1.00 0.00 H new ATOM 0 HG3 GLN A 33 7.534 3.369 2.748 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.430 2.953 1.503 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.509 1.596 0.374 1.00 0.00 H new ATOM 531 N LEU A 34 3.610 1.573 4.726 1.00 0.00 N ATOM 532 CA LEU A 34 2.413 0.852 5.141 1.00 0.00 C ATOM 533 C LEU A 34 1.419 1.786 5.834 1.00 0.00 C ATOM 534 O LEU A 34 0.213 1.667 5.639 1.00 0.00 O ATOM 535 CB LEU A 34 2.792 -0.311 6.060 1.00 0.00 C ATOM 536 CG LEU A 34 3.726 -1.349 5.426 1.00 0.00 C ATOM 537 CD1 LEU A 34 4.107 -2.422 6.435 1.00 0.00 C ATOM 538 CD2 LEU A 34 3.073 -1.973 4.201 1.00 0.00 C ATOM 0 H LEU A 34 4.464 1.274 5.197 1.00 0.00 H new ATOM 0 HA LEU A 34 1.928 0.453 4.251 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.270 0.090 6.954 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.880 -0.812 6.384 1.00 0.00 H new ATOM 0 HG LEU A 34 4.638 -0.841 5.111 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.770 -3.147 5.962 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.617 -1.961 7.281 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.207 -2.928 6.786 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.749 -2.707 3.763 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.145 -2.463 4.494 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.857 -1.196 3.468 1.00 0.00 H new ATOM 550 N CYS A 35 1.936 2.722 6.625 1.00 0.00 N ATOM 551 CA CYS A 35 1.100 3.719 7.281 1.00 0.00 C ATOM 552 C CYS A 35 0.354 4.566 6.251 1.00 0.00 C ATOM 553 O CYS A 35 -0.833 4.838 6.412 1.00 0.00 O ATOM 554 CB CYS A 35 1.941 4.620 8.192 1.00 0.00 C ATOM 555 SG CYS A 35 2.671 3.771 9.614 1.00 0.00 S ATOM 0 H CYS A 35 2.932 2.810 6.827 1.00 0.00 H new ATOM 0 HA CYS A 35 0.368 3.191 7.892 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.740 5.068 7.602 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.315 5.436 8.553 1.00 0.00 H new ATOM 0 HG CYS A 35 3.587 2.945 9.203 1.00 0.00 H new ATOM 561 N VAL A 36 1.048 4.968 5.186 1.00 0.00 N ATOM 562 CA VAL A 36 0.422 5.752 4.123 1.00 0.00 C ATOM 563 C VAL A 36 -0.677 4.940 3.434 1.00 0.00 C ATOM 564 O VAL A 36 -1.736 5.470 3.083 1.00 0.00 O ATOM 565 CB VAL A 36 1.454 6.223 3.071 1.00 0.00 C ATOM 566 CG1 VAL A 36 0.781 7.026 1.970 1.00 0.00 C ATOM 567 CG2 VAL A 36 2.549 7.047 3.726 1.00 0.00 C ATOM 0 H VAL A 36 2.037 4.765 5.037 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.015 6.635 4.590 1.00 0.00 H new ATOM 0 HB VAL A 36 1.904 5.337 2.624 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.528 7.345 1.244 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.033 6.407 1.474 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.298 7.902 2.402 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.264 7.368 2.969 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.109 7.922 4.204 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.060 6.443 4.475 1.00 0.00 H new ATOM 577 N LEU A 37 -0.424 3.649 3.256 1.00 0.00 N ATOM 578 CA LEU A 37 -1.410 2.745 2.673 1.00 0.00 C ATOM 579 C LEU A 37 -2.616 2.610 3.598 1.00 0.00 C ATOM 580 O LEU A 37 -3.762 2.634 3.154 1.00 0.00 O ATOM 581 CB LEU A 37 -0.781 1.371 2.429 1.00 0.00 C ATOM 582 CG LEU A 37 0.405 1.361 1.461 1.00 0.00 C ATOM 583 CD1 LEU A 37 1.103 0.010 1.481 1.00 0.00 C ATOM 584 CD2 LEU A 37 -0.055 1.700 0.053 1.00 0.00 C ATOM 0 H LEU A 37 0.458 3.203 3.508 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.743 3.157 1.721 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.453 0.964 3.385 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.549 0.700 2.044 1.00 0.00 H new ATOM 0 HG LEU A 37 1.117 2.120 1.785 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.943 0.024 0.786 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.468 -0.196 2.487 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.399 -0.768 1.184 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.801 1.688 -0.622 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.788 0.964 -0.277 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.508 2.691 0.047 1.00 0.00 H new ATOM 596 N ASN A 38 -2.334 2.493 4.889 1.00 0.00 N ATOM 597 CA ASN A 38 -3.365 2.352 5.910 1.00 0.00 C ATOM 598 C ASN A 38 -4.235 3.601 5.949 1.00 0.00 C ATOM 599 O ASN A 38 -5.451 3.514 6.121 1.00 0.00 O ATOM 600 CB ASN A 38 -2.692 2.106 7.270 1.00 0.00 C ATOM 601 CG ASN A 38 -3.647 1.659 8.370 1.00 0.00 C ATOM 602 OD1 ASN A 38 -4.811 2.044 8.409 1.00 0.00 O ATOM 603 ND2 ASN A 38 -3.152 0.832 9.276 1.00 0.00 N ATOM 0 H ASN A 38 -1.383 2.493 5.259 1.00 0.00 H new ATOM 0 HA ASN A 38 -4.008 1.504 5.675 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -1.918 1.349 7.147 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -2.194 3.022 7.587 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -3.743 0.495 10.036 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -2.179 0.531 9.214 1.00 0.00 H new ATOM 610 N ASP A 39 -3.607 4.758 5.762 1.00 0.00 N ATOM 611 CA ASP A 39 -4.335 6.017 5.692 1.00 0.00 C ATOM 612 C ASP A 39 -5.336 5.994 4.543 1.00 0.00 C ATOM 613 O ASP A 39 -6.531 6.176 4.752 1.00 0.00 O ATOM 614 CB ASP A 39 -3.378 7.199 5.516 1.00 0.00 C ATOM 615 CG ASP A 39 -4.110 8.484 5.176 1.00 0.00 C ATOM 616 OD1 ASP A 39 -4.614 9.154 6.102 1.00 0.00 O ATOM 617 OD2 ASP A 39 -4.193 8.821 3.975 1.00 0.00 O ATOM 0 H ASP A 39 -2.596 4.848 5.656 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.872 6.140 6.633 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.806 7.341 6.433 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.663 6.970 4.726 1.00 0.00 H new ATOM 622 N ARG A 40 -4.844 5.741 3.335 1.00 0.00 N ATOM 623 CA ARG A 40 -5.688 5.750 2.141 1.00 0.00 C ATOM 624 C ARG A 40 -6.823 4.735 2.251 1.00 0.00 C ATOM 625 O ARG A 40 -7.956 5.021 1.861 1.00 0.00 O ATOM 626 CB ARG A 40 -4.853 5.487 0.885 1.00 0.00 C ATOM 627 CG ARG A 40 -4.582 6.738 0.058 1.00 0.00 C ATOM 628 CD ARG A 40 -3.872 7.814 0.866 1.00 0.00 C ATOM 629 NE ARG A 40 -3.728 9.059 0.109 1.00 0.00 N ATOM 630 CZ ARG A 40 -3.914 10.275 0.628 1.00 0.00 C ATOM 631 NH1 ARG A 40 -4.197 10.420 1.919 1.00 0.00 N ATOM 632 NH2 ARG A 40 -3.789 11.352 -0.139 1.00 0.00 N ATOM 0 H ARG A 40 -3.863 5.527 3.154 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.134 6.741 2.061 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.902 5.043 1.178 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.369 4.755 0.263 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.975 6.475 -0.808 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.524 7.133 -0.322 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.431 8.008 1.782 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.887 7.454 1.164 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.470 8.993 -0.876 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -4.273 9.599 2.520 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -4.338 11.352 2.309 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -3.551 11.251 -1.126 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.931 12.281 0.259 1.00 0.00 H new ATOM 646 N PHE A 41 -6.516 3.562 2.793 1.00 0.00 N ATOM 647 CA PHE A 41 -7.522 2.528 3.019 1.00 0.00 C ATOM 648 C PHE A 41 -8.506 2.929 4.114 1.00 0.00 C ATOM 649 O PHE A 41 -9.599 2.372 4.212 1.00 0.00 O ATOM 650 CB PHE A 41 -6.856 1.196 3.369 1.00 0.00 C ATOM 651 CG PHE A 41 -6.318 0.490 2.162 1.00 0.00 C ATOM 652 CD1 PHE A 41 -7.095 0.382 1.024 1.00 0.00 C ATOM 653 CD2 PHE A 41 -5.052 -0.067 2.161 1.00 0.00 C ATOM 654 CE1 PHE A 41 -6.625 -0.265 -0.092 1.00 0.00 C ATOM 655 CE2 PHE A 41 -4.571 -0.720 1.041 1.00 0.00 C ATOM 656 CZ PHE A 41 -5.361 -0.819 -0.088 1.00 0.00 C ATOM 0 H PHE A 41 -5.574 3.302 3.086 1.00 0.00 H new ATOM 0 HA PHE A 41 -8.083 2.411 2.092 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -6.044 1.373 4.074 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -7.579 0.552 3.870 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -8.085 0.812 1.013 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -4.433 0.009 3.043 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -7.245 -0.340 -0.973 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -3.581 -1.151 1.049 1.00 0.00 H new ATOM 0 HZ PHE A 41 -4.990 -1.329 -0.965 1.00 0.00 H new ATOM 666 N GLN A 42 -8.104 3.867 4.961 1.00 0.00 N ATOM 667 CA GLN A 42 -8.969 4.333 6.039 1.00 0.00 C ATOM 668 C GLN A 42 -9.833 5.524 5.610 1.00 0.00 C ATOM 669 O GLN A 42 -11.020 5.578 5.937 1.00 0.00 O ATOM 670 CB GLN A 42 -8.135 4.705 7.264 1.00 0.00 C ATOM 671 CG GLN A 42 -8.602 4.017 8.534 1.00 0.00 C ATOM 672 CD GLN A 42 -8.566 2.500 8.422 1.00 0.00 C ATOM 673 OE1 GLN A 42 -9.375 1.801 9.033 1.00 0.00 O ATOM 674 NE2 GLN A 42 -7.613 1.978 7.663 1.00 0.00 N ATOM 0 H GLN A 42 -7.190 4.319 4.924 1.00 0.00 H new ATOM 0 HA GLN A 42 -9.641 3.513 6.293 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.093 4.445 7.079 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -8.173 5.785 7.408 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.972 4.332 9.366 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -9.618 4.337 8.764 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.961 2.589 7.172 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.532 0.965 7.570 1.00 0.00 H new ATOM 683 N ARG A 43 -9.242 6.473 4.880 1.00 0.00 N ATOM 684 CA ARG A 43 -9.963 7.687 4.479 1.00 0.00 C ATOM 685 C ARG A 43 -11.048 7.343 3.466 1.00 0.00 C ATOM 686 O ARG A 43 -12.151 7.888 3.505 1.00 0.00 O ATOM 687 CB ARG A 43 -9.015 8.734 3.872 1.00 0.00 C ATOM 688 CG ARG A 43 -7.669 8.863 4.571 1.00 0.00 C ATOM 689 CD ARG A 43 -7.796 9.159 6.059 1.00 0.00 C ATOM 690 NE ARG A 43 -8.210 10.532 6.330 1.00 0.00 N ATOM 691 CZ ARG A 43 -7.374 11.494 6.727 1.00 0.00 C ATOM 692 NH1 ARG A 43 -6.063 11.274 6.788 1.00 0.00 N ATOM 693 NH2 ARG A 43 -7.850 12.686 7.039 1.00 0.00 N ATOM 0 H ARG A 43 -8.276 6.427 4.556 1.00 0.00 H new ATOM 0 HA ARG A 43 -10.414 8.111 5.376 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -8.842 8.482 2.826 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -9.511 9.705 3.889 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -7.106 7.939 4.437 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -7.094 9.658 4.096 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -8.519 8.473 6.501 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -6.839 8.970 6.545 1.00 0.00 H new ATOM 0 HE ARG A 43 -9.194 10.770 6.209 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -5.686 10.362 6.530 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -5.435 12.017 7.093 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -8.852 12.868 6.976 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -7.216 13.425 7.343 1.00 0.00 H new ATOM 707 N GLN A 44 -10.720 6.437 2.557 1.00 0.00 N ATOM 708 CA GLN A 44 -11.668 5.956 1.566 1.00 0.00 C ATOM 709 C GLN A 44 -11.861 4.457 1.735 1.00 0.00 C ATOM 710 O GLN A 44 -11.299 3.862 2.650 1.00 0.00 O ATOM 711 CB GLN A 44 -11.175 6.266 0.147 1.00 0.00 C ATOM 712 CG GLN A 44 -11.562 7.649 -0.356 1.00 0.00 C ATOM 713 CD GLN A 44 -13.060 7.797 -0.558 1.00 0.00 C ATOM 714 OE1 GLN A 44 -13.762 6.823 -0.826 1.00 0.00 O ATOM 715 NE2 GLN A 44 -13.562 9.019 -0.453 1.00 0.00 N ATOM 0 H GLN A 44 -9.793 6.017 2.486 1.00 0.00 H new ATOM 0 HA GLN A 44 -12.620 6.465 1.715 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -10.089 6.173 0.122 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -11.575 5.517 -0.537 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -11.219 8.400 0.356 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -11.051 7.846 -1.298 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -12.950 9.804 -0.229 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -14.560 9.174 -0.596 1.00 0.00 H new ATOM 724 N LYS A 45 -12.668 3.853 0.879 1.00 0.00 N ATOM 725 CA LYS A 45 -12.828 2.405 0.899 1.00 0.00 C ATOM 726 C LYS A 45 -11.766 1.779 0.012 1.00 0.00 C ATOM 727 O LYS A 45 -11.133 0.788 0.376 1.00 0.00 O ATOM 728 CB LYS A 45 -14.227 1.981 0.423 1.00 0.00 C ATOM 729 CG LYS A 45 -15.363 2.345 1.374 1.00 0.00 C ATOM 730 CD LYS A 45 -15.620 3.842 1.409 1.00 0.00 C ATOM 731 CE LYS A 45 -16.789 4.191 2.316 1.00 0.00 C ATOM 732 NZ LYS A 45 -17.019 5.657 2.377 1.00 0.00 N ATOM 0 H LYS A 45 -13.218 4.335 0.168 1.00 0.00 H new ATOM 0 HA LYS A 45 -12.714 2.059 1.926 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.421 2.442 -0.546 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -14.232 0.902 0.270 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -16.272 1.828 1.067 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.121 1.995 2.378 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.724 4.357 1.756 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -15.823 4.200 0.400 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -17.690 3.696 1.954 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -16.597 3.811 3.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -17.824 5.856 3.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -16.168 6.127 2.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -17.227 6.016 1.423 1.00 0.00 H new ATOM 746 N TYR A 46 -11.573 2.375 -1.156 1.00 0.00 N ATOM 747 CA TYR A 46 -10.544 1.935 -2.085 1.00 0.00 C ATOM 748 C TYR A 46 -9.854 3.134 -2.724 1.00 0.00 C ATOM 749 O TYR A 46 -10.356 4.259 -2.661 1.00 0.00 O ATOM 750 CB TYR A 46 -11.140 1.031 -3.171 1.00 0.00 C ATOM 751 CG TYR A 46 -11.596 -0.320 -2.659 1.00 0.00 C ATOM 752 CD1 TYR A 46 -10.672 -1.259 -2.211 1.00 0.00 C ATOM 753 CD2 TYR A 46 -12.943 -0.655 -2.619 1.00 0.00 C ATOM 754 CE1 TYR A 46 -11.081 -2.492 -1.739 1.00 0.00 C ATOM 755 CE2 TYR A 46 -13.358 -1.886 -2.147 1.00 0.00 C ATOM 756 CZ TYR A 46 -12.423 -2.801 -1.709 1.00 0.00 C ATOM 757 OH TYR A 46 -12.833 -4.028 -1.238 1.00 0.00 O ATOM 0 H TYR A 46 -12.121 3.171 -1.484 1.00 0.00 H new ATOM 0 HA TYR A 46 -9.806 1.361 -1.524 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -11.987 1.540 -3.630 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -10.397 0.881 -3.954 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -9.619 -1.021 -2.232 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -13.678 0.058 -2.962 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -10.351 -3.210 -1.395 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -14.410 -2.131 -2.121 1.00 0.00 H new ATOM 0 HH TYR A 46 -13.810 -4.086 -1.283 1.00 0.00 H new ATOM 767 N LEU A 47 -8.701 2.894 -3.336 1.00 0.00 N ATOM 768 CA LEU A 47 -7.951 3.956 -3.993 1.00 0.00 C ATOM 769 C LEU A 47 -8.457 4.175 -5.408 1.00 0.00 C ATOM 770 O LEU A 47 -8.576 3.236 -6.196 1.00 0.00 O ATOM 771 CB LEU A 47 -6.448 3.651 -4.024 1.00 0.00 C ATOM 772 CG LEU A 47 -5.691 3.889 -2.710 1.00 0.00 C ATOM 773 CD1 LEU A 47 -6.110 2.898 -1.635 1.00 0.00 C ATOM 774 CD2 LEU A 47 -4.190 3.814 -2.945 1.00 0.00 C ATOM 0 H LEU A 47 -8.265 1.973 -3.391 1.00 0.00 H new ATOM 0 HA LEU A 47 -8.104 4.865 -3.412 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.314 2.609 -4.315 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.989 4.261 -4.802 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.946 4.888 -2.356 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.553 3.097 -0.719 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.177 3.002 -1.440 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.900 1.883 -1.974 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.666 3.985 -2.005 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.931 2.828 -3.331 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.896 4.575 -3.668 1.00 0.00 H new ATOM 786 N SER A 48 -8.748 5.424 -5.718 1.00 0.00 N ATOM 787 CA SER A 48 -9.209 5.800 -7.034 1.00 0.00 C ATOM 788 C SER A 48 -8.018 5.940 -7.976 1.00 0.00 C ATOM 789 O SER A 48 -6.862 5.831 -7.557 1.00 0.00 O ATOM 790 CB SER A 48 -9.992 7.117 -6.949 1.00 0.00 C ATOM 791 OG SER A 48 -10.417 7.562 -8.225 1.00 0.00 O ATOM 0 H SER A 48 -8.671 6.203 -5.064 1.00 0.00 H new ATOM 0 HA SER A 48 -9.870 5.027 -7.425 1.00 0.00 H new ATOM 0 HB2 SER A 48 -10.860 6.982 -6.304 1.00 0.00 H new ATOM 0 HB3 SER A 48 -9.367 7.882 -6.487 1.00 0.00 H new ATOM 0 HG SER A 48 -10.913 8.402 -8.130 1.00 0.00 H new ATOM 797 N LEU A 49 -8.311 6.215 -9.233 1.00 0.00 N ATOM 798 CA LEU A 49 -7.302 6.346 -10.264 1.00 0.00 C ATOM 799 C LEU A 49 -6.363 7.502 -9.945 1.00 0.00 C ATOM 800 O LEU A 49 -5.156 7.428 -10.188 1.00 0.00 O ATOM 801 CB LEU A 49 -7.980 6.572 -11.617 1.00 0.00 C ATOM 802 CG LEU A 49 -8.698 5.357 -12.228 1.00 0.00 C ATOM 803 CD1 LEU A 49 -7.779 4.148 -12.267 1.00 0.00 C ATOM 804 CD2 LEU A 49 -9.973 5.026 -11.468 1.00 0.00 C ATOM 0 H LEU A 49 -9.264 6.355 -9.569 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.714 5.429 -10.306 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -8.705 7.378 -11.506 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.226 6.916 -12.325 1.00 0.00 H new ATOM 0 HG LEU A 49 -8.972 5.619 -13.250 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -8.310 3.302 -12.703 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -6.902 4.377 -12.872 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -7.465 3.897 -11.254 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -10.456 4.163 -11.926 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -9.729 4.798 -10.430 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -10.649 5.880 -11.502 1.00 0.00 H new ATOM 816 N GLN A 50 -6.925 8.557 -9.370 1.00 0.00 N ATOM 817 CA GLN A 50 -6.143 9.721 -8.984 1.00 0.00 C ATOM 818 C GLN A 50 -5.278 9.392 -7.767 1.00 0.00 C ATOM 819 O GLN A 50 -4.145 9.846 -7.657 1.00 0.00 O ATOM 820 CB GLN A 50 -7.072 10.903 -8.681 1.00 0.00 C ATOM 821 CG GLN A 50 -6.647 12.214 -9.337 1.00 0.00 C ATOM 822 CD GLN A 50 -5.353 12.775 -8.775 1.00 0.00 C ATOM 823 OE1 GLN A 50 -4.595 13.474 -9.605 1.00 0.00 O flip ATOM 824 NE2 GLN A 50 -5.041 12.587 -7.602 1.00 0.00 N flip ATOM 0 H GLN A 50 -7.921 8.629 -9.161 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.488 9.999 -9.810 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -8.080 10.653 -9.013 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -7.118 11.048 -7.602 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.531 12.055 -10.409 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -7.440 12.950 -9.208 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.652 12.043 -6.993 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -4.171 12.975 -7.237 1.00 0.00 H new ATOM 833 N GLN A 51 -5.809 8.567 -6.873 1.00 0.00 N ATOM 834 CA GLN A 51 -5.106 8.211 -5.650 1.00 0.00 C ATOM 835 C GLN A 51 -3.904 7.310 -5.935 1.00 0.00 C ATOM 836 O GLN A 51 -2.835 7.491 -5.359 1.00 0.00 O ATOM 837 CB GLN A 51 -6.063 7.530 -4.668 1.00 0.00 C ATOM 838 CG GLN A 51 -6.969 8.496 -3.915 1.00 0.00 C ATOM 839 CD GLN A 51 -7.875 7.788 -2.925 1.00 0.00 C ATOM 840 OE1 GLN A 51 -7.497 7.550 -1.783 1.00 0.00 O ATOM 841 NE2 GLN A 51 -9.090 7.467 -3.349 1.00 0.00 N ATOM 0 H GLN A 51 -6.726 8.132 -6.974 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.731 9.131 -5.201 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -6.682 6.818 -5.214 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -5.480 6.957 -3.947 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -6.357 9.226 -3.385 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -7.578 9.050 -4.629 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -9.369 7.681 -4.306 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -9.745 7.006 -2.718 1.00 0.00 H new ATOM 850 N MET A 52 -4.075 6.344 -6.830 1.00 0.00 N ATOM 851 CA MET A 52 -2.992 5.419 -7.148 1.00 0.00 C ATOM 852 C MET A 52 -1.846 6.122 -7.885 1.00 0.00 C ATOM 853 O MET A 52 -0.680 5.781 -7.682 1.00 0.00 O ATOM 854 CB MET A 52 -3.509 4.211 -7.946 1.00 0.00 C ATOM 855 CG MET A 52 -4.221 4.559 -9.243 1.00 0.00 C ATOM 856 SD MET A 52 -4.909 3.106 -10.070 1.00 0.00 S ATOM 857 CE MET A 52 -6.014 2.488 -8.799 1.00 0.00 C ATOM 0 H MET A 52 -4.941 6.181 -7.343 1.00 0.00 H new ATOM 0 HA MET A 52 -2.592 5.049 -6.204 1.00 0.00 H new ATOM 0 HB2 MET A 52 -2.667 3.558 -8.175 1.00 0.00 H new ATOM 0 HB3 MET A 52 -4.192 3.642 -7.315 1.00 0.00 H new ATOM 0 HG2 MET A 52 -5.023 5.267 -9.034 1.00 0.00 H new ATOM 0 HG3 MET A 52 -3.522 5.058 -9.914 1.00 0.00 H new ATOM 0 HE1 MET A 52 -6.791 1.876 -9.258 1.00 0.00 H new ATOM 0 HE2 MET A 52 -5.450 1.885 -8.088 1.00 0.00 H new ATOM 0 HE3 MET A 52 -6.474 3.327 -8.277 1.00 0.00 H new ATOM 867 N GLN A 53 -2.163 7.103 -8.730 1.00 0.00 N ATOM 868 CA GLN A 53 -1.115 7.869 -9.409 1.00 0.00 C ATOM 869 C GLN A 53 -0.452 8.850 -8.444 1.00 0.00 C ATOM 870 O GLN A 53 0.740 9.140 -8.560 1.00 0.00 O ATOM 871 CB GLN A 53 -1.649 8.594 -10.650 1.00 0.00 C ATOM 872 CG GLN A 53 -2.787 9.560 -10.385 1.00 0.00 C ATOM 873 CD GLN A 53 -3.302 10.210 -11.655 1.00 0.00 C ATOM 874 OE1 GLN A 53 -3.172 9.511 -12.774 1.00 0.00 O flip ATOM 875 NE2 GLN A 53 -3.801 11.335 -11.636 1.00 0.00 N flip ATOM 0 H GLN A 53 -3.117 7.383 -8.959 1.00 0.00 H new ATOM 0 HA GLN A 53 -0.361 7.160 -9.751 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.828 9.141 -11.115 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -1.985 7.849 -11.372 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -3.603 9.030 -9.895 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -2.450 10.334 -9.695 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -3.884 11.841 -10.754 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.132 11.761 -12.502 1.00 0.00 H new ATOM 884 N GLU A 54 -1.229 9.355 -7.494 1.00 0.00 N ATOM 885 CA GLU A 54 -0.702 10.224 -6.449 1.00 0.00 C ATOM 886 C GLU A 54 0.277 9.447 -5.573 1.00 0.00 C ATOM 887 O GLU A 54 1.395 9.896 -5.315 1.00 0.00 O ATOM 888 CB GLU A 54 -1.852 10.775 -5.596 1.00 0.00 C ATOM 889 CG GLU A 54 -1.411 11.670 -4.448 1.00 0.00 C ATOM 890 CD GLU A 54 -2.580 12.139 -3.609 1.00 0.00 C ATOM 891 OE1 GLU A 54 -3.182 13.183 -3.946 1.00 0.00 O ATOM 892 OE2 GLU A 54 -2.918 11.460 -2.618 1.00 0.00 O ATOM 0 H GLU A 54 -2.231 9.177 -7.426 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.176 11.059 -6.911 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.528 11.337 -6.240 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.420 9.938 -5.190 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.707 11.128 -3.817 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.881 12.535 -4.847 1.00 0.00 H new ATOM 899 N LEU A 55 -0.146 8.264 -5.144 1.00 0.00 N ATOM 900 CA LEU A 55 0.662 7.416 -4.276 1.00 0.00 C ATOM 901 C LEU A 55 1.982 7.033 -4.937 1.00 0.00 C ATOM 902 O LEU A 55 3.045 7.097 -4.311 1.00 0.00 O ATOM 903 CB LEU A 55 -0.125 6.161 -3.906 1.00 0.00 C ATOM 904 CG LEU A 55 0.575 5.211 -2.932 1.00 0.00 C ATOM 905 CD1 LEU A 55 0.816 5.889 -1.594 1.00 0.00 C ATOM 906 CD2 LEU A 55 -0.246 3.947 -2.747 1.00 0.00 C ATOM 0 H LEU A 55 -1.054 7.867 -5.386 1.00 0.00 H new ATOM 0 HA LEU A 55 0.896 7.980 -3.373 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.077 6.465 -3.470 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.354 5.613 -4.820 1.00 0.00 H new ATOM 0 HG LEU A 55 1.543 4.940 -3.354 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.315 5.194 -0.918 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.444 6.768 -1.739 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.138 6.193 -1.163 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.264 3.280 -2.052 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.227 4.205 -2.348 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.365 3.447 -3.708 1.00 0.00 H new ATOM 918 N SER A 56 1.909 6.650 -6.202 1.00 0.00 N ATOM 919 CA SER A 56 3.096 6.253 -6.948 1.00 0.00 C ATOM 920 C SER A 56 4.077 7.416 -7.078 1.00 0.00 C ATOM 921 O SER A 56 5.294 7.218 -7.097 1.00 0.00 O ATOM 922 CB SER A 56 2.701 5.725 -8.326 1.00 0.00 C ATOM 923 OG SER A 56 1.623 6.460 -8.870 1.00 0.00 O ATOM 0 H SER A 56 1.041 6.605 -6.735 1.00 0.00 H new ATOM 0 HA SER A 56 3.595 5.455 -6.398 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.557 5.781 -8.998 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.424 4.674 -8.249 1.00 0.00 H new ATOM 0 HG SER A 56 0.776 6.042 -8.608 1.00 0.00 H new ATOM 929 N ASN A 57 3.546 8.630 -7.150 1.00 0.00 N ATOM 930 CA ASN A 57 4.377 9.827 -7.226 1.00 0.00 C ATOM 931 C ASN A 57 5.167 10.023 -5.933 1.00 0.00 C ATOM 932 O ASN A 57 6.358 10.320 -5.961 1.00 0.00 O ATOM 933 CB ASN A 57 3.510 11.060 -7.512 1.00 0.00 C ATOM 934 CG ASN A 57 4.306 12.356 -7.515 1.00 0.00 C ATOM 935 OD1 ASN A 57 4.853 12.762 -8.541 1.00 0.00 O ATOM 936 ND2 ASN A 57 4.364 13.025 -6.369 1.00 0.00 N ATOM 0 H ASN A 57 2.543 8.813 -7.157 1.00 0.00 H new ATOM 0 HA ASN A 57 5.086 9.699 -8.044 1.00 0.00 H new ATOM 0 HB2 ASN A 57 3.021 10.938 -8.478 1.00 0.00 H new ATOM 0 HB3 ASN A 57 2.722 11.125 -6.762 1.00 0.00 H new ATOM 0 HD21 ASN A 57 4.874 13.907 -6.318 1.00 0.00 H new ATOM 0 HD22 ASN A 57 3.898 12.657 -5.540 1.00 0.00 H new ATOM 943 N ILE A 58 4.504 9.815 -4.803 1.00 0.00 N ATOM 944 CA ILE A 58 5.099 10.076 -3.501 1.00 0.00 C ATOM 945 C ILE A 58 6.161 9.037 -3.152 1.00 0.00 C ATOM 946 O ILE A 58 7.265 9.379 -2.727 1.00 0.00 O ATOM 947 CB ILE A 58 4.023 10.086 -2.394 1.00 0.00 C ATOM 948 CG1 ILE A 58 2.853 10.988 -2.799 1.00 0.00 C ATOM 949 CG2 ILE A 58 4.625 10.551 -1.074 1.00 0.00 C ATOM 950 CD1 ILE A 58 1.768 11.098 -1.747 1.00 0.00 C ATOM 0 H ILE A 58 3.547 9.464 -4.763 1.00 0.00 H new ATOM 0 HA ILE A 58 5.570 11.057 -3.560 1.00 0.00 H new ATOM 0 HB ILE A 58 3.648 9.071 -2.262 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.235 11.985 -3.018 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.414 10.605 -3.720 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.854 10.553 -0.303 1.00 0.00 H new ATOM 0 HG22 ILE A 58 5.428 9.875 -0.782 1.00 0.00 H new ATOM 0 HG23 ILE A 58 5.024 11.559 -1.191 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.976 11.753 -2.109 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.357 10.109 -1.544 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.190 11.511 -0.831 1.00 0.00 H new ATOM 962 N LEU A 59 5.833 7.768 -3.345 1.00 0.00 N ATOM 963 CA LEU A 59 6.732 6.690 -2.952 1.00 0.00 C ATOM 964 C LEU A 59 7.738 6.356 -4.052 1.00 0.00 C ATOM 965 O LEU A 59 8.502 5.403 -3.923 1.00 0.00 O ATOM 966 CB LEU A 59 5.938 5.437 -2.573 1.00 0.00 C ATOM 967 CG LEU A 59 5.085 5.565 -1.309 1.00 0.00 C ATOM 968 CD1 LEU A 59 4.357 4.265 -1.027 1.00 0.00 C ATOM 969 CD2 LEU A 59 5.946 5.957 -0.120 1.00 0.00 C ATOM 0 H LEU A 59 4.958 7.460 -3.768 1.00 0.00 H new ATOM 0 HA LEU A 59 7.290 7.038 -2.083 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.287 5.173 -3.406 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.636 4.610 -2.439 1.00 0.00 H new ATOM 0 HG LEU A 59 4.346 6.349 -1.473 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.755 4.373 -0.125 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.709 4.021 -1.869 1.00 0.00 H new ATOM 0 HD13 LEU A 59 5.083 3.465 -0.885 1.00 0.00 H new ATOM 0 HD21 LEU A 59 5.321 6.043 0.769 1.00 0.00 H new ATOM 0 HD22 LEU A 59 6.708 5.195 0.044 1.00 0.00 H new ATOM 0 HD23 LEU A 59 6.427 6.914 -0.319 1.00 0.00 H new ATOM 981 N ASN A 60 7.738 7.155 -5.120 1.00 0.00 N ATOM 982 CA ASN A 60 8.637 6.948 -6.259 1.00 0.00 C ATOM 983 C ASN A 60 8.493 5.528 -6.809 1.00 0.00 C ATOM 984 O ASN A 60 9.457 4.760 -6.866 1.00 0.00 O ATOM 985 CB ASN A 60 10.097 7.220 -5.862 1.00 0.00 C ATOM 986 CG ASN A 60 11.014 7.421 -7.062 1.00 0.00 C ATOM 987 OD1 ASN A 60 10.750 6.931 -8.162 1.00 0.00 O ATOM 988 ND2 ASN A 60 12.108 8.138 -6.850 1.00 0.00 N ATOM 0 H ASN A 60 7.119 7.960 -5.221 1.00 0.00 H new ATOM 0 HA ASN A 60 8.357 7.654 -7.041 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.136 8.107 -5.229 1.00 0.00 H new ATOM 0 HB3 ASN A 60 10.467 6.386 -5.265 1.00 0.00 H new ATOM 0 HD21 ASN A 60 12.767 8.301 -7.612 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.292 8.527 -5.925 1.00 0.00 H new ATOM 995 N LEU A 61 7.276 5.184 -7.192 1.00 0.00 N ATOM 996 CA LEU A 61 6.980 3.869 -7.741 1.00 0.00 C ATOM 997 C LEU A 61 6.195 4.018 -9.027 1.00 0.00 C ATOM 998 O LEU A 61 5.659 5.088 -9.309 1.00 0.00 O ATOM 999 CB LEU A 61 6.178 3.038 -6.734 1.00 0.00 C ATOM 1000 CG LEU A 61 6.904 2.702 -5.429 1.00 0.00 C ATOM 1001 CD1 LEU A 61 5.968 1.971 -4.478 1.00 0.00 C ATOM 1002 CD2 LEU A 61 8.146 1.864 -5.702 1.00 0.00 C ATOM 0 H LEU A 61 6.468 5.803 -7.132 1.00 0.00 H new ATOM 0 HA LEU A 61 7.918 3.355 -7.948 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.263 3.578 -6.491 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.880 2.106 -7.214 1.00 0.00 H new ATOM 0 HG LEU A 61 7.219 3.635 -4.961 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.497 1.738 -3.554 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.109 2.604 -4.255 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.626 1.046 -4.943 1.00 0.00 H new ATOM 0 HD21 LEU A 61 8.646 1.637 -4.760 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.857 0.935 -6.193 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.825 2.420 -6.349 1.00 0.00 H new ATOM 1014 N SER A 62 6.124 2.952 -9.800 1.00 0.00 N ATOM 1015 CA SER A 62 5.400 2.978 -11.052 1.00 0.00 C ATOM 1016 C SER A 62 3.900 2.996 -10.794 1.00 0.00 C ATOM 1017 O SER A 62 3.414 2.328 -9.877 1.00 0.00 O ATOM 1018 CB SER A 62 5.781 1.762 -11.900 1.00 0.00 C ATOM 1019 OG SER A 62 4.926 1.628 -13.021 1.00 0.00 O ATOM 0 H SER A 62 6.560 2.056 -9.581 1.00 0.00 H new ATOM 0 HA SER A 62 5.667 3.884 -11.596 1.00 0.00 H new ATOM 0 HB2 SER A 62 6.813 1.860 -12.237 1.00 0.00 H new ATOM 0 HB3 SER A 62 5.729 0.860 -11.290 1.00 0.00 H new ATOM 0 HG SER A 62 5.286 0.948 -13.628 1.00 0.00 H new ATOM 1025 N TYR A 63 3.175 3.766 -11.598 1.00 0.00 N ATOM 1026 CA TYR A 63 1.724 3.790 -11.544 1.00 0.00 C ATOM 1027 C TYR A 63 1.188 2.388 -11.768 1.00 0.00 C ATOM 1028 O TYR A 63 0.210 1.977 -11.153 1.00 0.00 O ATOM 1029 CB TYR A 63 1.172 4.748 -12.608 1.00 0.00 C ATOM 1030 CG TYR A 63 -0.324 4.638 -12.825 1.00 0.00 C ATOM 1031 CD1 TYR A 63 -1.218 5.301 -11.998 1.00 0.00 C ATOM 1032 CD2 TYR A 63 -0.840 3.863 -13.860 1.00 0.00 C ATOM 1033 CE1 TYR A 63 -2.583 5.198 -12.194 1.00 0.00 C ATOM 1034 CE2 TYR A 63 -2.204 3.756 -14.061 1.00 0.00 C ATOM 1035 CZ TYR A 63 -3.070 4.425 -13.226 1.00 0.00 C ATOM 1036 OH TYR A 63 -4.430 4.320 -13.417 1.00 0.00 O ATOM 0 H TYR A 63 3.577 4.387 -12.301 1.00 0.00 H new ATOM 0 HA TYR A 63 1.404 4.143 -10.563 1.00 0.00 H new ATOM 0 HB2 TYR A 63 1.412 5.771 -12.319 1.00 0.00 H new ATOM 0 HB3 TYR A 63 1.680 4.556 -13.553 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -0.842 5.908 -11.188 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -0.164 3.336 -14.517 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -3.265 5.722 -11.541 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -2.588 3.151 -14.869 1.00 0.00 H new ATOM 0 HH TYR A 63 -4.643 4.501 -14.356 1.00 0.00 H new ATOM 1046 N LYS A 64 1.868 1.651 -12.634 1.00 0.00 N ATOM 1047 CA LYS A 64 1.496 0.288 -12.940 1.00 0.00 C ATOM 1048 C LYS A 64 1.716 -0.598 -11.726 1.00 0.00 C ATOM 1049 O LYS A 64 0.899 -1.463 -11.426 1.00 0.00 O ATOM 1050 CB LYS A 64 2.311 -0.225 -14.121 1.00 0.00 C ATOM 1051 CG LYS A 64 2.019 0.493 -15.426 1.00 0.00 C ATOM 1052 CD LYS A 64 2.839 -0.082 -16.571 1.00 0.00 C ATOM 1053 CE LYS A 64 2.461 0.552 -17.898 1.00 0.00 C ATOM 1054 NZ LYS A 64 3.179 -0.076 -19.037 1.00 0.00 N ATOM 0 H LYS A 64 2.689 1.984 -13.140 1.00 0.00 H new ATOM 0 HA LYS A 64 0.439 0.262 -13.206 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.371 -0.123 -13.890 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.114 -1.289 -14.251 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.957 0.410 -15.659 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.239 1.555 -15.316 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.899 0.080 -16.378 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.686 -1.160 -16.625 1.00 0.00 H new ATOM 0 HE2 LYS A 64 1.386 0.459 -18.051 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.688 1.618 -17.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 2.893 0.385 -19.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.205 0.034 -18.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.943 -1.088 -19.081 1.00 0.00 H new ATOM 1068 N GLN A 65 2.814 -0.365 -11.019 1.00 0.00 N ATOM 1069 CA GLN A 65 3.122 -1.143 -9.828 1.00 0.00 C ATOM 1070 C GLN A 65 2.127 -0.844 -8.717 1.00 0.00 C ATOM 1071 O GLN A 65 1.661 -1.755 -8.035 1.00 0.00 O ATOM 1072 CB GLN A 65 4.555 -0.879 -9.354 1.00 0.00 C ATOM 1073 CG GLN A 65 5.615 -1.548 -10.217 1.00 0.00 C ATOM 1074 CD GLN A 65 5.358 -3.032 -10.405 1.00 0.00 C ATOM 1075 OE1 GLN A 65 5.785 -3.860 -9.598 1.00 0.00 O ATOM 1076 NE2 GLN A 65 4.679 -3.380 -11.485 1.00 0.00 N ATOM 0 H GLN A 65 3.502 0.352 -11.248 1.00 0.00 H new ATOM 0 HA GLN A 65 3.041 -2.199 -10.087 1.00 0.00 H new ATOM 0 HB2 GLN A 65 4.733 0.196 -9.343 1.00 0.00 H new ATOM 0 HB3 GLN A 65 4.660 -1.230 -8.327 1.00 0.00 H new ATOM 0 HG2 GLN A 65 5.646 -1.061 -11.192 1.00 0.00 H new ATOM 0 HG3 GLN A 65 6.594 -1.407 -9.759 1.00 0.00 H new ATOM 0 HE21 GLN A 65 4.343 -2.664 -12.129 1.00 0.00 H new ATOM 0 HE22 GLN A 65 4.492 -4.365 -11.674 1.00 0.00 H new ATOM 1085 N VAL A 66 1.776 0.427 -8.556 1.00 0.00 N ATOM 1086 CA VAL A 66 0.807 0.806 -7.533 1.00 0.00 C ATOM 1087 C VAL A 66 -0.579 0.284 -7.906 1.00 0.00 C ATOM 1088 O VAL A 66 -1.321 -0.218 -7.062 1.00 0.00 O ATOM 1089 CB VAL A 66 0.769 2.335 -7.320 1.00 0.00 C ATOM 1090 CG1 VAL A 66 -0.338 2.722 -6.351 1.00 0.00 C ATOM 1091 CG2 VAL A 66 2.114 2.815 -6.802 1.00 0.00 C ATOM 0 H VAL A 66 2.141 1.202 -9.110 1.00 0.00 H new ATOM 0 HA VAL A 66 1.119 0.353 -6.592 1.00 0.00 H new ATOM 0 HB VAL A 66 0.561 2.813 -8.277 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.343 3.804 -6.218 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.300 2.401 -6.750 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.165 2.239 -5.389 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.082 3.894 -6.653 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.335 2.324 -5.854 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.891 2.571 -7.527 1.00 0.00 H new ATOM 1101 N LYS A 67 -0.895 0.372 -9.189 1.00 0.00 N ATOM 1102 CA LYS A 67 -2.171 -0.094 -9.711 1.00 0.00 C ATOM 1103 C LYS A 67 -2.314 -1.603 -9.521 1.00 0.00 C ATOM 1104 O LYS A 67 -3.360 -2.096 -9.094 1.00 0.00 O ATOM 1105 CB LYS A 67 -2.262 0.257 -11.195 1.00 0.00 C ATOM 1106 CG LYS A 67 -3.654 0.157 -11.790 1.00 0.00 C ATOM 1107 CD LYS A 67 -3.616 0.424 -13.286 1.00 0.00 C ATOM 1108 CE LYS A 67 -5.007 0.601 -13.861 1.00 0.00 C ATOM 1109 NZ LYS A 67 -5.658 1.842 -13.367 1.00 0.00 N ATOM 0 H LYS A 67 -0.276 0.768 -9.896 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.979 0.395 -9.166 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.894 1.273 -11.336 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.596 -0.403 -11.751 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.065 -0.835 -11.602 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.316 0.874 -11.304 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.025 1.319 -13.481 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.117 -0.403 -13.790 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -4.949 0.630 -14.949 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.621 -0.260 -13.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.512 2.034 -13.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.921 1.722 -12.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -4.997 2.640 -13.457 1.00 0.00 H new ATOM 1123 N THR A 68 -1.247 -2.319 -9.835 1.00 0.00 N ATOM 1124 CA THR A 68 -1.237 -3.770 -9.748 1.00 0.00 C ATOM 1125 C THR A 68 -1.262 -4.231 -8.293 1.00 0.00 C ATOM 1126 O THR A 68 -2.002 -5.146 -7.942 1.00 0.00 O ATOM 1127 CB THR A 68 0.000 -4.364 -10.458 1.00 0.00 C ATOM 1128 OG1 THR A 68 0.053 -3.913 -11.818 1.00 0.00 O ATOM 1129 CG2 THR A 68 -0.030 -5.886 -10.434 1.00 0.00 C ATOM 0 H THR A 68 -0.368 -1.914 -10.156 1.00 0.00 H new ATOM 0 HA THR A 68 -2.135 -4.130 -10.249 1.00 0.00 H new ATOM 0 HB THR A 68 0.886 -4.024 -9.923 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.616 -3.113 -11.876 1.00 0.00 H new ATOM 0 HG21 THR A 68 0.853 -6.275 -10.941 1.00 0.00 H new ATOM 0 HG22 THR A 68 -0.038 -6.234 -9.401 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.926 -6.240 -10.943 1.00 0.00 H new ATOM 1137 N TRP A 69 -0.467 -3.580 -7.448 1.00 0.00 N ATOM 1138 CA TRP A 69 -0.403 -3.935 -6.034 1.00 0.00 C ATOM 1139 C TRP A 69 -1.773 -3.762 -5.384 1.00 0.00 C ATOM 1140 O TRP A 69 -2.228 -4.624 -4.631 1.00 0.00 O ATOM 1141 CB TRP A 69 0.641 -3.072 -5.317 1.00 0.00 C ATOM 1142 CG TRP A 69 0.987 -3.564 -3.942 1.00 0.00 C ATOM 1143 CD1 TRP A 69 1.929 -4.502 -3.624 1.00 0.00 C ATOM 1144 CD2 TRP A 69 0.406 -3.146 -2.700 1.00 0.00 C ATOM 1145 NE1 TRP A 69 1.972 -4.686 -2.264 1.00 0.00 N ATOM 1146 CE2 TRP A 69 1.044 -3.873 -1.677 1.00 0.00 C ATOM 1147 CE3 TRP A 69 -0.594 -2.230 -2.355 1.00 0.00 C ATOM 1148 CZ2 TRP A 69 0.718 -3.712 -0.334 1.00 0.00 C ATOM 1149 CZ3 TRP A 69 -0.918 -2.074 -1.020 1.00 0.00 C ATOM 1150 CH2 TRP A 69 -0.265 -2.814 -0.025 1.00 0.00 C ATOM 0 H TRP A 69 0.140 -2.806 -7.717 1.00 0.00 H new ATOM 0 HA TRP A 69 -0.107 -4.981 -5.948 1.00 0.00 H new ATOM 0 HB2 TRP A 69 1.548 -3.038 -5.920 1.00 0.00 H new ATOM 0 HB3 TRP A 69 0.268 -2.050 -5.245 1.00 0.00 H new ATOM 0 HD1 TRP A 69 2.549 -5.023 -4.339 1.00 0.00 H new ATOM 0 HE1 TRP A 69 2.596 -5.326 -1.772 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -1.102 -1.657 -3.116 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 1.223 -4.276 0.436 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -1.687 -1.370 -0.739 1.00 0.00 H new ATOM 0 HH2 TRP A 69 -0.545 -2.672 1.008 1.00 0.00 H new ATOM 1161 N PHE A 70 -2.430 -2.653 -5.700 1.00 0.00 N ATOM 1162 CA PHE A 70 -3.764 -2.372 -5.185 1.00 0.00 C ATOM 1163 C PHE A 70 -4.758 -3.442 -5.630 1.00 0.00 C ATOM 1164 O PHE A 70 -5.504 -3.990 -4.817 1.00 0.00 O ATOM 1165 CB PHE A 70 -4.227 -0.990 -5.655 1.00 0.00 C ATOM 1166 CG PHE A 70 -5.664 -0.692 -5.338 1.00 0.00 C ATOM 1167 CD1 PHE A 70 -6.070 -0.451 -4.035 1.00 0.00 C ATOM 1168 CD2 PHE A 70 -6.612 -0.661 -6.347 1.00 0.00 C ATOM 1169 CE1 PHE A 70 -7.395 -0.184 -3.748 1.00 0.00 C ATOM 1170 CE2 PHE A 70 -7.935 -0.395 -6.066 1.00 0.00 C ATOM 1171 CZ PHE A 70 -8.327 -0.157 -4.766 1.00 0.00 C ATOM 0 H PHE A 70 -2.058 -1.929 -6.315 1.00 0.00 H new ATOM 0 HA PHE A 70 -3.721 -2.382 -4.096 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -3.597 -0.230 -5.193 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -4.079 -0.915 -6.732 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.344 -0.472 -3.236 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.311 -0.848 -7.367 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -7.701 0.003 -2.729 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -8.663 -0.373 -6.863 1.00 0.00 H new ATOM 0 HZ PHE A 70 -9.363 0.051 -4.544 1.00 0.00 H new ATOM 1181 N GLN A 71 -4.761 -3.744 -6.922 1.00 0.00 N ATOM 1182 CA GLN A 71 -5.665 -4.752 -7.463 1.00 0.00 C ATOM 1183 C GLN A 71 -5.324 -6.137 -6.924 1.00 0.00 C ATOM 1184 O GLN A 71 -6.194 -6.997 -6.798 1.00 0.00 O ATOM 1185 CB GLN A 71 -5.617 -4.752 -8.990 1.00 0.00 C ATOM 1186 CG GLN A 71 -6.278 -3.534 -9.610 1.00 0.00 C ATOM 1187 CD GLN A 71 -7.747 -3.431 -9.248 1.00 0.00 C ATOM 1188 OE1 GLN A 71 -8.423 -4.438 -9.039 1.00 0.00 O ATOM 1189 NE2 GLN A 71 -8.249 -2.209 -9.163 1.00 0.00 N ATOM 0 H GLN A 71 -4.150 -3.308 -7.613 1.00 0.00 H new ATOM 0 HA GLN A 71 -6.677 -4.501 -7.145 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -4.577 -4.797 -9.314 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -6.107 -5.652 -9.362 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -5.760 -2.634 -9.279 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -6.175 -3.580 -10.694 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -7.655 -1.400 -9.344 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -9.230 -2.077 -8.917 1.00 0.00 H new ATOM 1198 N ASN A 72 -4.056 -6.341 -6.601 1.00 0.00 N ATOM 1199 CA ASN A 72 -3.593 -7.600 -6.043 1.00 0.00 C ATOM 1200 C ASN A 72 -4.124 -7.775 -4.629 1.00 0.00 C ATOM 1201 O ASN A 72 -4.631 -8.834 -4.275 1.00 0.00 O ATOM 1202 CB ASN A 72 -2.063 -7.662 -6.040 1.00 0.00 C ATOM 1203 CG ASN A 72 -1.539 -9.019 -5.612 1.00 0.00 C ATOM 1204 OD1 ASN A 72 -1.323 -9.271 -4.429 1.00 0.00 O ATOM 1205 ND2 ASN A 72 -1.322 -9.902 -6.575 1.00 0.00 N ATOM 0 H ASN A 72 -3.323 -5.641 -6.718 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.970 -8.410 -6.667 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.691 -7.430 -7.038 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -1.673 -6.897 -5.369 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -0.963 -10.829 -6.346 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -1.514 -9.655 -7.546 1.00 0.00 H new ATOM 1212 N GLN A 73 -4.031 -6.724 -3.826 1.00 0.00 N ATOM 1213 CA GLN A 73 -4.554 -6.763 -2.467 1.00 0.00 C ATOM 1214 C GLN A 73 -6.069 -6.929 -2.490 1.00 0.00 C ATOM 1215 O GLN A 73 -6.655 -7.560 -1.606 1.00 0.00 O ATOM 1216 CB GLN A 73 -4.162 -5.497 -1.699 1.00 0.00 C ATOM 1217 CG GLN A 73 -2.658 -5.307 -1.582 1.00 0.00 C ATOM 1218 CD GLN A 73 -1.956 -6.495 -0.947 1.00 0.00 C ATOM 1219 OE1 GLN A 73 -2.516 -7.191 -0.099 1.00 0.00 O ATOM 1220 NE2 GLN A 73 -0.728 -6.747 -1.370 1.00 0.00 N ATOM 0 H GLN A 73 -3.600 -5.838 -4.090 1.00 0.00 H new ATOM 0 HA GLN A 73 -4.118 -7.620 -1.953 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -4.593 -4.629 -2.198 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -4.595 -5.538 -0.700 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -2.241 -5.134 -2.574 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -2.455 -4.414 -0.991 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -0.298 -6.147 -2.074 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -0.211 -7.541 -0.992 1.00 0.00 H new ATOM 1229 N ARG A 74 -6.696 -6.379 -3.524 1.00 0.00 N ATOM 1230 CA ARG A 74 -8.132 -6.510 -3.701 1.00 0.00 C ATOM 1231 C ARG A 74 -8.482 -7.944 -4.101 1.00 0.00 C ATOM 1232 O ARG A 74 -9.445 -8.518 -3.591 1.00 0.00 O ATOM 1233 CB ARG A 74 -8.636 -5.499 -4.745 1.00 0.00 C ATOM 1234 CG ARG A 74 -10.154 -5.363 -4.803 1.00 0.00 C ATOM 1235 CD ARG A 74 -10.795 -6.428 -5.684 1.00 0.00 C ATOM 1236 NE ARG A 74 -12.255 -6.417 -5.590 1.00 0.00 N ATOM 1237 CZ ARG A 74 -13.072 -6.525 -6.638 1.00 0.00 C ATOM 1238 NH1 ARG A 74 -12.573 -6.551 -7.868 1.00 0.00 N ATOM 1239 NH2 ARG A 74 -14.386 -6.587 -6.453 1.00 0.00 N ATOM 0 H ARG A 74 -6.229 -5.838 -4.252 1.00 0.00 H new ATOM 0 HA ARG A 74 -8.630 -6.291 -2.757 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -8.203 -4.523 -4.527 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -8.271 -5.797 -5.728 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -10.562 -5.434 -3.795 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -10.414 -4.375 -5.183 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -10.498 -6.267 -6.720 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -10.421 -7.410 -5.394 1.00 0.00 H new ATOM 0 HE ARG A 74 -12.674 -6.321 -4.665 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -11.565 -6.488 -8.011 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -13.198 -6.634 -8.670 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -14.770 -6.552 -5.509 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -15.011 -6.670 -7.255 1.00 0.00 H new ATOM 1253 N MET A 75 -7.685 -8.536 -4.994 1.00 0.00 N ATOM 1254 CA MET A 75 -7.946 -9.906 -5.434 1.00 0.00 C ATOM 1255 C MET A 75 -7.616 -10.903 -4.322 1.00 0.00 C ATOM 1256 O MET A 75 -8.233 -11.966 -4.238 1.00 0.00 O ATOM 1257 CB MET A 75 -7.183 -10.249 -6.726 1.00 0.00 C ATOM 1258 CG MET A 75 -5.671 -10.286 -6.580 1.00 0.00 C ATOM 1259 SD MET A 75 -4.820 -10.652 -8.129 1.00 0.00 S ATOM 1260 CE MET A 75 -5.342 -9.269 -9.140 1.00 0.00 C ATOM 0 H MET A 75 -6.868 -8.097 -5.419 1.00 0.00 H new ATOM 0 HA MET A 75 -9.010 -9.980 -5.659 1.00 0.00 H new ATOM 0 HB2 MET A 75 -7.523 -11.220 -7.086 1.00 0.00 H new ATOM 0 HB3 MET A 75 -7.443 -9.517 -7.490 1.00 0.00 H new ATOM 0 HG2 MET A 75 -5.325 -9.325 -6.200 1.00 0.00 H new ATOM 0 HG3 MET A 75 -5.402 -11.038 -5.838 1.00 0.00 H new ATOM 0 HE1 MET A 75 -4.764 -9.255 -10.064 1.00 0.00 H new ATOM 0 HE2 MET A 75 -6.401 -9.371 -9.377 1.00 0.00 H new ATOM 0 HE3 MET A 75 -5.179 -8.339 -8.596 1.00 0.00 H new ATOM 1270 N LYS A 76 -6.659 -10.547 -3.460 1.00 0.00 N ATOM 1271 CA LYS A 76 -6.357 -11.344 -2.269 1.00 0.00 C ATOM 1272 C LYS A 76 -7.579 -11.400 -1.361 1.00 0.00 C ATOM 1273 O LYS A 76 -7.873 -12.427 -0.750 1.00 0.00 O ATOM 1274 CB LYS A 76 -5.183 -10.739 -1.483 1.00 0.00 C ATOM 1275 CG LYS A 76 -3.823 -10.836 -2.167 1.00 0.00 C ATOM 1276 CD LYS A 76 -3.293 -12.262 -2.186 1.00 0.00 C ATOM 1277 CE LYS A 76 -1.870 -12.317 -2.729 1.00 0.00 C ATOM 1278 NZ LYS A 76 -0.898 -11.650 -1.818 1.00 0.00 N ATOM 0 H LYS A 76 -6.081 -9.713 -3.565 1.00 0.00 H new ATOM 0 HA LYS A 76 -6.085 -12.347 -2.597 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -5.400 -9.689 -1.289 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.121 -11.236 -0.515 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -3.904 -10.466 -3.189 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -3.111 -10.192 -1.651 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.316 -12.674 -1.177 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -3.943 -12.886 -2.800 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -1.577 -13.357 -2.873 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.837 -11.838 -3.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 0.071 -11.909 -2.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.012 -10.618 -1.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.073 -11.956 -0.840 1.00 0.00 H new