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 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=0.000751 USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 35 CYS SG : rot 76:sc= 0.305 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 42 GLN : amide:sc= -0.548 X(o=-0.55,f=-0.097) USER MOD Single : A 44 GLN :FLIP amide:sc= -0.029 F(o=-1.3!,f=-0.029) 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= 0.0796 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 GLN : amide:sc= -2.2! C(o=-2.2!,f=-9.1!) USER MOD Single : A 52 MET CE :methyl 161:sc= -0.339 (180deg=-0.835) USER MOD Single : A 53 GLN :FLIP amide:sc= 0 F(o=-0.87,f=0) USER MOD Single : A 56 SER OG : rot 60:sc= -0.957! USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 60 ASN :FLIP amide:sc= -0.33 F(o=-1.6!,f=-0.33) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.769 K(o=-0.77,f=-1.9!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 82:sc= 1.21 USER MOD Single : A 71 GLN : amide:sc= -1.81! C(o=-1.8!,f=-8!) USER MOD Single : A 72 ASN : amide:sc= 1.3 K(o=1.3,f=-0.091) USER MOD Single : A 73 GLN : amide:sc= -0.636 K(o=-0.64,f=-2.1!) USER MOD Single : A 75 MET CE :methyl -176:sc= -1.88 (180deg=-2) USER MOD Single : A 76 LYS NZ :NH3+ 165:sc= -0.0109 (180deg=-0.25) USER MOD ----------------------------------------------------------------- ATOM 478 N SER A 30 8.851 -0.029 4.214 1.00 0.00 N ATOM 479 CA SER A 30 9.094 0.430 5.571 1.00 0.00 C ATOM 480 C SER A 30 7.772 0.723 6.271 1.00 0.00 C ATOM 481 O SER A 30 6.757 0.939 5.607 1.00 0.00 O ATOM 482 CB SER A 30 9.978 1.682 5.541 1.00 0.00 C ATOM 483 OG SER A 30 10.346 2.096 6.845 1.00 0.00 O ATOM 0 HA SER A 30 9.610 -0.352 6.128 1.00 0.00 H new ATOM 0 HB2 SER A 30 10.876 1.480 4.957 1.00 0.00 H new ATOM 0 HB3 SER A 30 9.447 2.491 5.039 1.00 0.00 H new ATOM 0 HG SER A 30 10.910 2.895 6.787 1.00 0.00 H new ATOM 489 N SER A 31 7.798 0.732 7.606 1.00 0.00 N ATOM 490 CA SER A 31 6.612 1.021 8.407 1.00 0.00 C ATOM 491 C SER A 31 5.928 2.299 7.924 1.00 0.00 C ATOM 492 O SER A 31 4.704 2.366 7.849 1.00 0.00 O ATOM 493 CB SER A 31 6.992 1.159 9.885 1.00 0.00 C ATOM 494 OG SER A 31 7.663 0.000 10.359 1.00 0.00 O ATOM 0 H SER A 31 8.636 0.541 8.156 1.00 0.00 H new ATOM 0 HA SER A 31 5.914 0.191 8.293 1.00 0.00 H new ATOM 0 HB2 SER A 31 7.632 2.031 10.018 1.00 0.00 H new ATOM 0 HB3 SER A 31 6.094 1.329 10.479 1.00 0.00 H new ATOM 0 HG SER A 31 7.894 0.119 11.304 1.00 0.00 H new ATOM 500 N THR A 32 6.737 3.299 7.578 1.00 0.00 N ATOM 501 CA THR A 32 6.233 4.567 7.074 1.00 0.00 C ATOM 502 C THR A 32 5.355 4.355 5.840 1.00 0.00 C ATOM 503 O THR A 32 4.211 4.798 5.802 1.00 0.00 O ATOM 504 CB THR A 32 7.397 5.508 6.710 1.00 0.00 C ATOM 505 OG1 THR A 32 8.379 5.489 7.755 1.00 0.00 O ATOM 506 CG2 THR A 32 6.902 6.931 6.505 1.00 0.00 C ATOM 0 H THR A 32 7.754 3.250 7.640 1.00 0.00 H new ATOM 0 HA THR A 32 5.634 5.020 7.864 1.00 0.00 H new ATOM 0 HB THR A 32 7.842 5.158 5.778 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.119 6.087 7.520 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.743 7.575 6.249 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.172 6.949 5.696 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.436 7.290 7.423 1.00 0.00 H new ATOM 514 N GLN A 33 5.893 3.647 4.848 1.00 0.00 N ATOM 515 CA GLN A 33 5.169 3.397 3.607 1.00 0.00 C ATOM 516 C GLN A 33 3.959 2.507 3.859 1.00 0.00 C ATOM 517 O GLN A 33 2.898 2.708 3.268 1.00 0.00 O ATOM 518 CB GLN A 33 6.087 2.753 2.563 1.00 0.00 C ATOM 519 CG GLN A 33 7.203 3.667 2.081 1.00 0.00 C ATOM 520 CD GLN A 33 8.003 3.054 0.949 1.00 0.00 C ATOM 521 OE1 GLN A 33 7.658 3.199 -0.218 1.00 0.00 O ATOM 522 NE2 GLN A 33 9.092 2.378 1.289 1.00 0.00 N ATOM 0 H GLN A 33 6.827 3.238 4.881 1.00 0.00 H new ATOM 0 HA GLN A 33 4.822 4.356 3.221 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.527 1.850 2.987 1.00 0.00 H new ATOM 0 HB3 GLN A 33 5.488 2.444 1.707 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.776 4.614 1.750 1.00 0.00 H new ATOM 0 HG3 GLN A 33 7.870 3.892 2.913 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.345 2.280 2.272 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.676 1.956 0.567 1.00 0.00 H new ATOM 531 N LEU A 34 4.122 1.536 4.749 1.00 0.00 N ATOM 532 CA LEU A 34 3.029 0.648 5.120 1.00 0.00 C ATOM 533 C LEU A 34 1.862 1.444 5.694 1.00 0.00 C ATOM 534 O LEU A 34 0.715 1.248 5.298 1.00 0.00 O ATOM 535 CB LEU A 34 3.505 -0.396 6.134 1.00 0.00 C ATOM 536 CG LEU A 34 4.564 -1.377 5.618 1.00 0.00 C ATOM 537 CD1 LEU A 34 5.015 -2.311 6.732 1.00 0.00 C ATOM 538 CD2 LEU A 34 4.021 -2.174 4.439 1.00 0.00 C ATOM 0 H LEU A 34 5.002 1.344 5.227 1.00 0.00 H new ATOM 0 HA LEU A 34 2.690 0.132 4.222 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.908 0.124 7.003 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.641 -0.966 6.476 1.00 0.00 H new ATOM 0 HG LEU A 34 5.428 -0.805 5.279 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.767 -3.000 6.347 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.442 -1.726 7.547 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.160 -2.877 7.101 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.785 -2.866 4.085 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.141 -2.735 4.754 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.747 -1.492 3.634 1.00 0.00 H new ATOM 550 N CYS A 35 2.163 2.354 6.615 1.00 0.00 N ATOM 551 CA CYS A 35 1.141 3.195 7.218 1.00 0.00 C ATOM 552 C CYS A 35 0.482 4.101 6.180 1.00 0.00 C ATOM 553 O CYS A 35 -0.717 4.350 6.251 1.00 0.00 O ATOM 554 CB CYS A 35 1.730 4.028 8.356 1.00 0.00 C ATOM 555 SG CYS A 35 2.277 3.043 9.773 1.00 0.00 S ATOM 0 H CYS A 35 3.108 2.526 6.959 1.00 0.00 H new ATOM 0 HA CYS A 35 0.372 2.539 7.627 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.576 4.601 7.975 1.00 0.00 H new ATOM 0 HB3 CYS A 35 0.983 4.747 8.692 1.00 0.00 H new ATOM 0 HG CYS A 35 3.400 2.456 9.485 1.00 0.00 H new ATOM 561 N VAL A 36 1.260 4.584 5.211 1.00 0.00 N ATOM 562 CA VAL A 36 0.712 5.406 4.135 1.00 0.00 C ATOM 563 C VAL A 36 -0.318 4.615 3.327 1.00 0.00 C ATOM 564 O VAL A 36 -1.415 5.107 3.051 1.00 0.00 O ATOM 565 CB VAL A 36 1.820 5.933 3.192 1.00 0.00 C ATOM 566 CG1 VAL A 36 1.215 6.668 2.001 1.00 0.00 C ATOM 567 CG2 VAL A 36 2.771 6.850 3.950 1.00 0.00 C ATOM 0 H VAL A 36 2.265 4.421 5.150 1.00 0.00 H new ATOM 0 HA VAL A 36 0.227 6.264 4.600 1.00 0.00 H new ATOM 0 HB VAL A 36 2.382 5.078 2.817 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.013 7.029 1.353 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.573 5.988 1.442 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.626 7.513 2.356 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.544 7.212 3.273 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.216 7.697 4.353 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.234 6.298 4.768 1.00 0.00 H new ATOM 577 N LEU A 37 0.033 3.382 2.974 1.00 0.00 N ATOM 578 CA LEU A 37 -0.873 2.510 2.234 1.00 0.00 C ATOM 579 C LEU A 37 -2.088 2.169 3.089 1.00 0.00 C ATOM 580 O LEU A 37 -3.229 2.226 2.624 1.00 0.00 O ATOM 581 CB LEU A 37 -0.153 1.226 1.808 1.00 0.00 C ATOM 582 CG LEU A 37 1.063 1.431 0.906 1.00 0.00 C ATOM 583 CD1 LEU A 37 1.774 0.110 0.663 1.00 0.00 C ATOM 584 CD2 LEU A 37 0.648 2.063 -0.415 1.00 0.00 C ATOM 0 H LEU A 37 0.938 2.964 3.189 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.206 3.036 1.339 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.165 0.692 2.704 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.865 0.584 1.290 1.00 0.00 H new ATOM 0 HG LEU A 37 1.754 2.107 1.409 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.638 0.275 0.019 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.105 -0.305 1.615 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.090 -0.588 0.181 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.527 2.201 -1.044 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.063 1.411 -0.923 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.182 3.030 -0.225 1.00 0.00 H new ATOM 596 N ASN A 38 -1.828 1.849 4.350 1.00 0.00 N ATOM 597 CA ASN A 38 -2.875 1.473 5.292 1.00 0.00 C ATOM 598 C ASN A 38 -3.822 2.642 5.535 1.00 0.00 C ATOM 599 O ASN A 38 -5.027 2.453 5.673 1.00 0.00 O ATOM 600 CB ASN A 38 -2.243 1.004 6.611 1.00 0.00 C ATOM 601 CG ASN A 38 -3.254 0.529 7.644 1.00 0.00 C ATOM 602 OD1 ASN A 38 -4.330 0.027 7.308 1.00 0.00 O ATOM 603 ND2 ASN A 38 -2.895 0.654 8.914 1.00 0.00 N ATOM 0 H ASN A 38 -0.889 1.843 4.748 1.00 0.00 H new ATOM 0 HA ASN A 38 -3.454 0.653 4.868 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -1.545 0.193 6.400 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -1.662 1.823 7.035 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -3.517 0.329 9.654 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -1.997 1.075 9.151 1.00 0.00 H new ATOM 610 N ASP A 39 -3.271 3.850 5.562 1.00 0.00 N ATOM 611 CA ASP A 39 -4.068 5.051 5.773 1.00 0.00 C ATOM 612 C ASP A 39 -5.037 5.270 4.616 1.00 0.00 C ATOM 613 O ASP A 39 -6.217 5.521 4.833 1.00 0.00 O ATOM 614 CB ASP A 39 -3.172 6.282 5.936 1.00 0.00 C ATOM 615 CG ASP A 39 -3.956 7.523 6.327 1.00 0.00 C ATOM 616 OD1 ASP A 39 -4.582 8.144 5.444 1.00 0.00 O ATOM 617 OD2 ASP A 39 -3.958 7.877 7.524 1.00 0.00 O ATOM 0 H ASP A 39 -2.273 4.023 5.440 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.640 4.909 6.690 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.416 6.079 6.695 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.643 6.469 5.001 1.00 0.00 H new ATOM 622 N ARG A 40 -4.542 5.152 3.385 1.00 0.00 N ATOM 623 CA ARG A 40 -5.380 5.355 2.204 1.00 0.00 C ATOM 624 C ARG A 40 -6.554 4.378 2.202 1.00 0.00 C ATOM 625 O ARG A 40 -7.683 4.756 1.886 1.00 0.00 O ATOM 626 CB ARG A 40 -4.563 5.193 0.918 1.00 0.00 C ATOM 627 CG ARG A 40 -3.346 6.102 0.840 1.00 0.00 C ATOM 628 CD ARG A 40 -3.712 7.573 0.976 1.00 0.00 C ATOM 629 NE ARG A 40 -4.485 8.072 -0.168 1.00 0.00 N ATOM 630 CZ ARG A 40 -4.092 9.079 -0.957 1.00 0.00 C ATOM 631 NH1 ARG A 40 -2.910 9.655 -0.775 1.00 0.00 N ATOM 632 NH2 ARG A 40 -4.883 9.509 -1.931 1.00 0.00 N ATOM 0 H ARG A 40 -3.571 4.918 3.180 1.00 0.00 H new ATOM 0 HA ARG A 40 -5.769 6.373 2.242 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.236 4.157 0.836 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.208 5.392 0.062 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.642 5.831 1.627 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.837 5.943 -0.111 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.289 7.717 1.890 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.801 8.162 1.078 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.377 7.623 -0.374 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.294 9.331 -0.030 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -2.618 10.422 -1.381 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -5.793 9.072 -2.080 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -4.582 10.277 -2.531 1.00 0.00 H new ATOM 646 N PHE A 41 -6.279 3.128 2.569 1.00 0.00 N ATOM 647 CA PHE A 41 -7.312 2.096 2.658 1.00 0.00 C ATOM 648 C PHE A 41 -8.192 2.294 3.891 1.00 0.00 C ATOM 649 O PHE A 41 -9.312 1.786 3.967 1.00 0.00 O ATOM 650 CB PHE A 41 -6.681 0.705 2.665 1.00 0.00 C ATOM 651 CG PHE A 41 -6.159 0.336 1.316 1.00 0.00 C ATOM 652 CD1 PHE A 41 -6.996 0.400 0.221 1.00 0.00 C ATOM 653 CD2 PHE A 41 -4.841 -0.039 1.131 1.00 0.00 C ATOM 654 CE1 PHE A 41 -6.537 0.097 -1.033 1.00 0.00 C ATOM 655 CE2 PHE A 41 -4.372 -0.352 -0.130 1.00 0.00 C ATOM 656 CZ PHE A 41 -5.222 -0.280 -1.214 1.00 0.00 C ATOM 0 H PHE A 41 -5.343 2.803 2.811 1.00 0.00 H new ATOM 0 HA PHE A 41 -7.949 2.185 1.778 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -5.869 0.676 3.391 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -7.420 -0.030 2.984 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -8.027 0.693 0.355 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -4.173 -0.088 1.979 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -7.204 0.153 -1.880 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -3.344 -0.652 -0.267 1.00 0.00 H new ATOM 0 HZ PHE A 41 -4.859 -0.518 -2.203 1.00 0.00 H new ATOM 666 N GLN A 42 -7.667 3.017 4.868 1.00 0.00 N ATOM 667 CA GLN A 42 -8.436 3.382 6.050 1.00 0.00 C ATOM 668 C GLN A 42 -9.413 4.499 5.699 1.00 0.00 C ATOM 669 O GLN A 42 -10.556 4.509 6.161 1.00 0.00 O ATOM 670 CB GLN A 42 -7.488 3.807 7.179 1.00 0.00 C ATOM 671 CG GLN A 42 -8.178 4.215 8.474 1.00 0.00 C ATOM 672 CD GLN A 42 -8.201 5.718 8.678 1.00 0.00 C ATOM 673 OE1 GLN A 42 -9.159 6.400 8.312 1.00 0.00 O ATOM 674 NE2 GLN A 42 -7.130 6.243 9.255 1.00 0.00 N ATOM 0 H GLN A 42 -6.708 3.364 4.866 1.00 0.00 H new ATOM 0 HA GLN A 42 -9.009 2.522 6.397 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.806 2.983 7.391 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.880 4.642 6.829 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -9.201 3.837 8.470 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.668 3.746 9.316 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.359 5.641 9.543 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.077 7.250 9.412 1.00 0.00 H new ATOM 683 N ARG A 43 -8.958 5.422 4.856 1.00 0.00 N ATOM 684 CA ARG A 43 -9.798 6.521 4.388 1.00 0.00 C ATOM 685 C ARG A 43 -10.882 5.996 3.458 1.00 0.00 C ATOM 686 O ARG A 43 -12.068 6.258 3.660 1.00 0.00 O ATOM 687 CB ARG A 43 -8.967 7.578 3.647 1.00 0.00 C ATOM 688 CG ARG A 43 -7.752 8.056 4.419 1.00 0.00 C ATOM 689 CD ARG A 43 -8.132 8.653 5.758 1.00 0.00 C ATOM 690 NE ARG A 43 -6.972 8.783 6.629 1.00 0.00 N ATOM 691 CZ ARG A 43 -7.021 9.219 7.883 1.00 0.00 C ATOM 692 NH1 ARG A 43 -8.164 9.671 8.392 1.00 0.00 N ATOM 693 NH2 ARG A 43 -5.924 9.191 8.629 1.00 0.00 N ATOM 0 H ARG A 43 -8.009 5.431 4.482 1.00 0.00 H new ATOM 0 HA ARG A 43 -10.255 6.984 5.263 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -8.640 7.165 2.693 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -9.603 8.434 3.423 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -7.069 7.221 4.575 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -7.217 8.800 3.829 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -8.587 9.632 5.606 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.882 8.025 6.239 1.00 0.00 H new ATOM 0 HE ARG A 43 -6.061 8.522 6.251 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -9.008 9.684 7.819 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -8.197 10.005 9.355 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -5.051 8.836 8.239 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -5.954 9.524 9.593 1.00 0.00 H new ATOM 707 N GLN A 44 -10.466 5.254 2.443 1.00 0.00 N ATOM 708 CA GLN A 44 -11.391 4.691 1.469 1.00 0.00 C ATOM 709 C GLN A 44 -11.125 3.206 1.314 1.00 0.00 C ATOM 710 O GLN A 44 -9.989 2.766 1.447 1.00 0.00 O ATOM 711 CB GLN A 44 -11.247 5.383 0.111 1.00 0.00 C ATOM 712 CG GLN A 44 -11.569 6.867 0.138 1.00 0.00 C ATOM 713 CD GLN A 44 -11.550 7.502 -1.242 1.00 0.00 C ATOM 714 OE1 GLN A 44 -11.886 6.726 -2.262 1.00 0.00 O flip ATOM 715 NE2 GLN A 44 -11.235 8.680 -1.391 1.00 0.00 N flip ATOM 0 H GLN A 44 -9.487 5.026 2.271 1.00 0.00 H new ATOM 0 HA GLN A 44 -12.408 4.849 1.829 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -10.226 5.249 -0.247 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -11.904 4.892 -0.607 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -12.552 7.012 0.585 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -10.849 7.378 0.777 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -10.982 9.247 -0.581 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -11.226 9.091 -2.324 1.00 0.00 H new ATOM 724 N LYS A 45 -12.167 2.445 1.015 1.00 0.00 N ATOM 725 CA LYS A 45 -12.045 1.000 0.876 1.00 0.00 C ATOM 726 C LYS A 45 -11.110 0.650 -0.275 1.00 0.00 C ATOM 727 O LYS A 45 -10.317 -0.286 -0.180 1.00 0.00 O ATOM 728 CB LYS A 45 -13.421 0.377 0.631 1.00 0.00 C ATOM 729 CG LYS A 45 -14.431 0.665 1.729 1.00 0.00 C ATOM 730 CD LYS A 45 -15.799 0.096 1.383 1.00 0.00 C ATOM 731 CE LYS A 45 -16.823 0.424 2.456 1.00 0.00 C ATOM 732 NZ LYS A 45 -18.177 -0.078 2.103 1.00 0.00 N ATOM 0 H LYS A 45 -13.109 2.804 0.863 1.00 0.00 H new ATOM 0 HA LYS A 45 -11.629 0.600 1.800 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.813 0.747 -0.316 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.308 -0.702 0.529 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.083 0.236 2.668 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -14.510 1.742 1.881 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -16.131 0.499 0.426 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -15.726 -0.985 1.266 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -16.509 -0.014 3.403 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -16.863 1.503 2.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -18.846 0.166 2.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -18.488 0.359 1.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -18.145 -1.111 1.989 1.00 0.00 H new ATOM 746 N TYR A 46 -11.207 1.408 -1.358 1.00 0.00 N ATOM 747 CA TYR A 46 -10.361 1.188 -2.517 1.00 0.00 C ATOM 748 C TYR A 46 -9.915 2.512 -3.125 1.00 0.00 C ATOM 749 O TYR A 46 -10.551 3.548 -2.928 1.00 0.00 O ATOM 750 CB TYR A 46 -11.088 0.355 -3.576 1.00 0.00 C ATOM 751 CG TYR A 46 -11.329 -1.083 -3.175 1.00 0.00 C ATOM 752 CD1 TYR A 46 -10.272 -1.911 -2.815 1.00 0.00 C ATOM 753 CD2 TYR A 46 -12.612 -1.615 -3.158 1.00 0.00 C ATOM 754 CE1 TYR A 46 -10.486 -3.225 -2.451 1.00 0.00 C ATOM 755 CE2 TYR A 46 -12.833 -2.930 -2.799 1.00 0.00 C ATOM 756 CZ TYR A 46 -11.768 -3.730 -2.446 1.00 0.00 C ATOM 757 OH TYR A 46 -11.986 -5.042 -2.093 1.00 0.00 O ATOM 0 H TYR A 46 -11.865 2.181 -1.456 1.00 0.00 H new ATOM 0 HA TYR A 46 -9.481 0.640 -2.181 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -12.047 0.825 -3.796 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -10.506 0.371 -4.497 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -9.266 -1.519 -2.820 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -13.450 -0.990 -3.430 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -9.653 -3.854 -2.172 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -13.836 -3.330 -2.795 1.00 0.00 H new ATOM 0 HH TYR A 46 -12.945 -5.238 -2.140 1.00 0.00 H new ATOM 767 N LEU A 47 -8.814 2.466 -3.861 1.00 0.00 N ATOM 768 CA LEU A 47 -8.302 3.637 -4.554 1.00 0.00 C ATOM 769 C LEU A 47 -8.844 3.689 -5.977 1.00 0.00 C ATOM 770 O LEU A 47 -9.073 2.653 -6.602 1.00 0.00 O ATOM 771 CB LEU A 47 -6.767 3.631 -4.587 1.00 0.00 C ATOM 772 CG LEU A 47 -6.064 4.176 -3.334 1.00 0.00 C ATOM 773 CD1 LEU A 47 -6.395 3.346 -2.101 1.00 0.00 C ATOM 774 CD2 LEU A 47 -4.559 4.222 -3.555 1.00 0.00 C ATOM 0 H LEU A 47 -8.255 1.623 -3.993 1.00 0.00 H new ATOM 0 HA LEU A 47 -8.634 4.520 -4.009 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.431 2.607 -4.752 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -6.440 4.216 -5.446 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.429 5.188 -3.158 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.880 3.761 -1.234 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.471 3.365 -1.928 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.071 2.317 -2.257 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.072 4.610 -2.661 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.191 3.217 -3.762 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.335 4.872 -4.401 1.00 0.00 H new ATOM 786 N SER A 48 -9.042 4.896 -6.484 1.00 0.00 N ATOM 787 CA SER A 48 -9.546 5.091 -7.823 1.00 0.00 C ATOM 788 C SER A 48 -8.386 5.165 -8.805 1.00 0.00 C ATOM 789 O SER A 48 -7.219 5.124 -8.405 1.00 0.00 O ATOM 790 CB SER A 48 -10.366 6.380 -7.874 1.00 0.00 C ATOM 791 OG SER A 48 -9.623 7.470 -7.344 1.00 0.00 O ATOM 0 H SER A 48 -8.857 5.761 -5.976 1.00 0.00 H new ATOM 0 HA SER A 48 -10.184 4.251 -8.099 1.00 0.00 H new ATOM 0 HB2 SER A 48 -10.651 6.595 -8.904 1.00 0.00 H new ATOM 0 HB3 SER A 48 -11.288 6.253 -7.307 1.00 0.00 H new ATOM 0 HG SER A 48 -10.164 8.286 -7.387 1.00 0.00 H new ATOM 797 N LEU A 49 -8.710 5.301 -10.078 1.00 0.00 N ATOM 798 CA LEU A 49 -7.699 5.399 -11.121 1.00 0.00 C ATOM 799 C LEU A 49 -6.881 6.670 -10.926 1.00 0.00 C ATOM 800 O LEU A 49 -5.669 6.692 -11.141 1.00 0.00 O ATOM 801 CB LEU A 49 -8.354 5.399 -12.505 1.00 0.00 C ATOM 802 CG LEU A 49 -7.384 5.420 -13.686 1.00 0.00 C ATOM 803 CD1 LEU A 49 -6.562 4.140 -13.729 1.00 0.00 C ATOM 804 CD2 LEU A 49 -8.139 5.616 -14.992 1.00 0.00 C ATOM 0 H LEU A 49 -9.671 5.347 -10.418 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.039 4.534 -11.054 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -8.985 4.515 -12.590 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.009 6.267 -12.579 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.701 6.259 -13.554 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.878 4.175 -14.577 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.991 4.043 -12.806 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -7.228 3.283 -13.835 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -7.433 5.628 -15.822 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -8.846 4.798 -15.130 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -8.680 6.562 -14.961 1.00 0.00 H new ATOM 816 N GLN A 50 -7.559 7.722 -10.495 1.00 0.00 N ATOM 817 CA GLN A 50 -6.913 8.981 -10.205 1.00 0.00 C ATOM 818 C GLN A 50 -6.077 8.887 -8.929 1.00 0.00 C ATOM 819 O GLN A 50 -4.969 9.413 -8.864 1.00 0.00 O ATOM 820 CB GLN A 50 -7.969 10.074 -10.065 1.00 0.00 C ATOM 821 CG GLN A 50 -8.552 10.537 -11.389 1.00 0.00 C ATOM 822 CD GLN A 50 -9.595 11.624 -11.210 1.00 0.00 C ATOM 823 OE1 GLN A 50 -9.272 12.812 -11.176 1.00 0.00 O ATOM 824 NE2 GLN A 50 -10.855 11.234 -11.112 1.00 0.00 N ATOM 0 H GLN A 50 -8.567 7.722 -10.339 1.00 0.00 H new ATOM 0 HA GLN A 50 -6.242 9.227 -11.028 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -8.777 9.707 -9.432 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -7.527 10.930 -9.554 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.750 10.908 -12.027 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -9.001 9.687 -11.903 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -11.085 10.241 -11.144 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -11.596 11.926 -11.004 1.00 0.00 H new ATOM 833 N GLN A 51 -6.597 8.197 -7.923 1.00 0.00 N ATOM 834 CA GLN A 51 -5.947 8.136 -6.632 1.00 0.00 C ATOM 835 C GLN A 51 -4.699 7.248 -6.659 1.00 0.00 C ATOM 836 O GLN A 51 -3.724 7.533 -5.966 1.00 0.00 O ATOM 837 CB GLN A 51 -6.939 7.657 -5.571 1.00 0.00 C ATOM 838 CG GLN A 51 -6.335 7.601 -4.189 1.00 0.00 C ATOM 839 CD GLN A 51 -7.358 7.454 -3.076 1.00 0.00 C ATOM 840 OE1 GLN A 51 -7.133 7.908 -1.955 1.00 0.00 O ATOM 841 NE2 GLN A 51 -8.487 6.831 -3.373 1.00 0.00 N ATOM 0 H GLN A 51 -7.470 7.672 -7.982 1.00 0.00 H new ATOM 0 HA GLN A 51 -5.612 9.141 -6.376 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -7.801 8.324 -5.559 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -7.305 6.667 -5.843 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -5.638 6.764 -4.141 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -5.756 8.509 -4.019 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -8.637 6.468 -4.314 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -9.207 6.714 -2.661 1.00 0.00 H new ATOM 850 N MET A 52 -4.719 6.183 -7.456 1.00 0.00 N ATOM 851 CA MET A 52 -3.558 5.293 -7.550 1.00 0.00 C ATOM 852 C MET A 52 -2.358 6.018 -8.165 1.00 0.00 C ATOM 853 O MET A 52 -1.240 5.905 -7.663 1.00 0.00 O ATOM 854 CB MET A 52 -3.892 4.015 -8.334 1.00 0.00 C ATOM 855 CG MET A 52 -4.379 4.248 -9.754 1.00 0.00 C ATOM 856 SD MET A 52 -4.796 2.716 -10.612 1.00 0.00 S ATOM 857 CE MET A 52 -6.090 2.067 -9.557 1.00 0.00 C ATOM 0 H MET A 52 -5.512 5.915 -8.039 1.00 0.00 H new ATOM 0 HA MET A 52 -3.288 4.996 -6.537 1.00 0.00 H new ATOM 0 HB2 MET A 52 -3.004 3.384 -8.368 1.00 0.00 H new ATOM 0 HB3 MET A 52 -4.656 3.460 -7.789 1.00 0.00 H new ATOM 0 HG2 MET A 52 -5.255 4.896 -9.731 1.00 0.00 H new ATOM 0 HG3 MET A 52 -3.608 4.775 -10.316 1.00 0.00 H new ATOM 0 HE1 MET A 52 -6.672 1.328 -10.108 1.00 0.00 H new ATOM 0 HE2 MET A 52 -5.644 1.598 -8.680 1.00 0.00 H new ATOM 0 HE3 MET A 52 -6.743 2.880 -9.240 1.00 0.00 H new ATOM 867 N GLN A 53 -2.588 6.786 -9.227 1.00 0.00 N ATOM 868 CA GLN A 53 -1.506 7.547 -9.845 1.00 0.00 C ATOM 869 C GLN A 53 -1.119 8.735 -8.965 1.00 0.00 C ATOM 870 O GLN A 53 0.042 9.153 -8.945 1.00 0.00 O ATOM 871 CB GLN A 53 -1.875 8.018 -11.258 1.00 0.00 C ATOM 872 CG GLN A 53 -3.096 8.921 -11.329 1.00 0.00 C ATOM 873 CD GLN A 53 -3.333 9.469 -12.724 1.00 0.00 C ATOM 874 OE1 GLN A 53 -2.929 8.716 -13.739 1.00 0.00 O flip ATOM 875 NE2 GLN A 53 -3.862 10.566 -12.892 1.00 0.00 N flip ATOM 0 H GLN A 53 -3.499 6.897 -9.672 1.00 0.00 H new ATOM 0 HA GLN A 53 -0.647 6.883 -9.937 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -1.023 8.548 -11.683 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -2.051 7.143 -11.884 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -3.975 8.363 -11.007 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -2.972 9.750 -10.633 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.160 11.117 -12.087 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.003 10.925 -13.836 1.00 0.00 H new ATOM 884 N GLU A 54 -2.100 9.279 -8.249 1.00 0.00 N ATOM 885 CA GLU A 54 -1.843 10.331 -7.274 1.00 0.00 C ATOM 886 C GLU A 54 -0.857 9.837 -6.223 1.00 0.00 C ATOM 887 O GLU A 54 0.191 10.445 -6.005 1.00 0.00 O ATOM 888 CB GLU A 54 -3.149 10.768 -6.596 1.00 0.00 C ATOM 889 CG GLU A 54 -2.959 11.827 -5.520 1.00 0.00 C ATOM 890 CD GLU A 54 -4.226 12.095 -4.732 1.00 0.00 C ATOM 891 OE1 GLU A 54 -5.044 12.927 -5.180 1.00 0.00 O ATOM 892 OE2 GLU A 54 -4.408 11.474 -3.661 1.00 0.00 O ATOM 0 H GLU A 54 -3.080 9.007 -8.327 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.415 11.188 -7.794 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.830 11.153 -7.355 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.627 9.895 -6.152 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.172 11.508 -4.837 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.622 12.754 -5.984 1.00 0.00 H new ATOM 899 N LEU A 55 -1.187 8.704 -5.609 1.00 0.00 N ATOM 900 CA LEU A 55 -0.361 8.123 -4.558 1.00 0.00 C ATOM 901 C LEU A 55 1.032 7.802 -5.076 1.00 0.00 C ATOM 902 O LEU A 55 2.021 7.961 -4.358 1.00 0.00 O ATOM 903 CB LEU A 55 -1.017 6.854 -4.002 1.00 0.00 C ATOM 904 CG LEU A 55 -0.282 6.198 -2.830 1.00 0.00 C ATOM 905 CD1 LEU A 55 -0.228 7.139 -1.635 1.00 0.00 C ATOM 906 CD2 LEU A 55 -0.948 4.884 -2.451 1.00 0.00 C ATOM 0 H LEU A 55 -2.027 8.168 -5.824 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.271 8.857 -3.757 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.030 7.098 -3.683 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.103 6.126 -4.809 1.00 0.00 H new ATOM 0 HG LEU A 55 0.741 5.986 -3.142 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.298 6.654 -0.813 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.298 8.052 -1.914 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.242 7.386 -1.321 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.412 4.432 -1.616 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.982 5.071 -2.160 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.928 4.206 -3.305 1.00 0.00 H new ATOM 918 N SER A 56 1.099 7.363 -6.326 1.00 0.00 N ATOM 919 CA SER A 56 2.372 7.060 -6.965 1.00 0.00 C ATOM 920 C SER A 56 3.327 8.247 -6.885 1.00 0.00 C ATOM 921 O SER A 56 4.450 8.117 -6.400 1.00 0.00 O ATOM 922 CB SER A 56 2.154 6.675 -8.431 1.00 0.00 C ATOM 923 OG SER A 56 1.251 5.588 -8.555 1.00 0.00 O ATOM 0 H SER A 56 0.284 7.209 -6.919 1.00 0.00 H new ATOM 0 HA SER A 56 2.818 6.220 -6.432 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.768 7.534 -8.980 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.109 6.409 -8.884 1.00 0.00 H new ATOM 0 HG SER A 56 0.384 5.838 -8.173 1.00 0.00 H new ATOM 929 N ASN A 57 2.865 9.407 -7.330 1.00 0.00 N ATOM 930 CA ASN A 57 3.703 10.601 -7.365 1.00 0.00 C ATOM 931 C ASN A 57 4.079 11.050 -5.954 1.00 0.00 C ATOM 932 O ASN A 57 5.177 11.555 -5.724 1.00 0.00 O ATOM 933 CB ASN A 57 2.993 11.734 -8.111 1.00 0.00 C ATOM 934 CG ASN A 57 3.839 12.991 -8.207 1.00 0.00 C ATOM 935 OD1 ASN A 57 3.756 13.880 -7.359 1.00 0.00 O ATOM 936 ND2 ASN A 57 4.663 13.075 -9.239 1.00 0.00 N ATOM 0 H ASN A 57 1.915 9.548 -7.672 1.00 0.00 H new ATOM 0 HA ASN A 57 4.620 10.351 -7.898 1.00 0.00 H new ATOM 0 HB2 ASN A 57 2.735 11.397 -9.115 1.00 0.00 H new ATOM 0 HB3 ASN A 57 2.058 11.968 -7.603 1.00 0.00 H new ATOM 0 HD21 ASN A 57 5.257 13.897 -9.352 1.00 0.00 H new ATOM 0 HD22 ASN A 57 4.704 12.318 -9.922 1.00 0.00 H new ATOM 943 N ILE A 58 3.177 10.837 -5.006 1.00 0.00 N ATOM 944 CA ILE A 58 3.407 11.257 -3.631 1.00 0.00 C ATOM 945 C ILE A 58 4.466 10.384 -2.967 1.00 0.00 C ATOM 946 O ILE A 58 5.299 10.874 -2.203 1.00 0.00 O ATOM 947 CB ILE A 58 2.112 11.204 -2.794 1.00 0.00 C ATOM 948 CG1 ILE A 58 0.987 11.952 -3.514 1.00 0.00 C ATOM 949 CG2 ILE A 58 2.351 11.802 -1.412 1.00 0.00 C ATOM 950 CD1 ILE A 58 -0.305 12.040 -2.722 1.00 0.00 C ATOM 0 H ILE A 58 2.281 10.377 -5.164 1.00 0.00 H new ATOM 0 HA ILE A 58 3.756 12.289 -3.670 1.00 0.00 H new ATOM 0 HB ILE A 58 1.815 10.162 -2.673 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.327 12.961 -3.747 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.785 11.456 -4.464 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.429 11.758 -0.832 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.129 11.236 -0.900 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.666 12.840 -1.514 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.051 12.584 -3.301 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.672 11.035 -2.511 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.122 12.563 -1.784 1.00 0.00 H new ATOM 962 N LEU A 59 4.441 9.096 -3.278 1.00 0.00 N ATOM 963 CA LEU A 59 5.344 8.144 -2.650 1.00 0.00 C ATOM 964 C LEU A 59 6.620 7.977 -3.475 1.00 0.00 C ATOM 965 O LEU A 59 7.513 7.214 -3.107 1.00 0.00 O ATOM 966 CB LEU A 59 4.634 6.796 -2.489 1.00 0.00 C ATOM 967 CG LEU A 59 5.356 5.771 -1.614 1.00 0.00 C ATOM 968 CD1 LEU A 59 5.480 6.283 -0.186 1.00 0.00 C ATOM 969 CD2 LEU A 59 4.622 4.442 -1.639 1.00 0.00 C ATOM 0 H LEU A 59 3.805 8.687 -3.962 1.00 0.00 H new ATOM 0 HA LEU A 59 5.627 8.523 -1.668 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.645 6.974 -2.068 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.486 6.363 -3.478 1.00 0.00 H new ATOM 0 HG LEU A 59 6.358 5.620 -2.015 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.996 5.541 0.423 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.047 7.214 -0.181 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.486 6.461 0.224 1.00 0.00 H new ATOM 0 HD21 LEU A 59 5.149 3.723 -1.011 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.609 4.579 -1.262 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.581 4.068 -2.662 1.00 0.00 H new ATOM 981 N ASN A 60 6.691 8.705 -4.591 1.00 0.00 N ATOM 982 CA ASN A 60 7.819 8.609 -5.524 1.00 0.00 C ATOM 983 C ASN A 60 7.912 7.187 -6.078 1.00 0.00 C ATOM 984 O ASN A 60 8.982 6.701 -6.456 1.00 0.00 O ATOM 985 CB ASN A 60 9.137 9.017 -4.844 1.00 0.00 C ATOM 986 CG ASN A 60 10.278 9.219 -5.832 1.00 0.00 C ATOM 987 OD1 ASN A 60 9.959 9.701 -7.025 1.00 0.00 O flip ATOM 988 ND2 ASN A 60 11.441 8.958 -5.519 1.00 0.00 N flip ATOM 0 H ASN A 60 5.974 9.374 -4.874 1.00 0.00 H new ATOM 0 HA ASN A 60 7.647 9.300 -6.349 1.00 0.00 H new ATOM 0 HB2 ASN A 60 8.981 9.939 -4.284 1.00 0.00 H new ATOM 0 HB3 ASN A 60 9.420 8.250 -4.122 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.649 8.588 -4.591 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.196 9.112 -6.188 1.00 0.00 H new ATOM 995 N LEU A 61 6.763 6.539 -6.152 1.00 0.00 N ATOM 996 CA LEU A 61 6.680 5.172 -6.630 1.00 0.00 C ATOM 997 C LEU A 61 6.029 5.156 -8.005 1.00 0.00 C ATOM 998 O LEU A 61 5.434 6.145 -8.432 1.00 0.00 O ATOM 999 CB LEU A 61 5.878 4.312 -5.641 1.00 0.00 C ATOM 1000 CG LEU A 61 5.927 2.800 -5.882 1.00 0.00 C ATOM 1001 CD1 LEU A 61 7.355 2.285 -5.787 1.00 0.00 C ATOM 1002 CD2 LEU A 61 5.033 2.079 -4.883 1.00 0.00 C ATOM 0 H LEU A 61 5.866 6.944 -5.884 1.00 0.00 H new ATOM 0 HA LEU A 61 7.683 4.754 -6.708 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.244 4.513 -4.634 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.837 4.632 -5.671 1.00 0.00 H new ATOM 0 HG LEU A 61 5.560 2.599 -6.888 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.366 1.209 -5.961 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.971 2.781 -6.537 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.752 2.496 -4.794 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.076 1.005 -5.065 1.00 0.00 H new ATOM 0 HD22 LEU A 61 5.376 2.290 -3.870 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.006 2.425 -4.998 1.00 0.00 H new ATOM 1014 N SER A 62 6.147 4.043 -8.697 1.00 0.00 N ATOM 1015 CA SER A 62 5.616 3.933 -10.035 1.00 0.00 C ATOM 1016 C SER A 62 4.123 3.621 -9.992 1.00 0.00 C ATOM 1017 O SER A 62 3.655 2.895 -9.109 1.00 0.00 O ATOM 1018 CB SER A 62 6.380 2.850 -10.794 1.00 0.00 C ATOM 1019 OG SER A 62 5.853 2.656 -12.093 1.00 0.00 O ATOM 0 H SER A 62 6.607 3.201 -8.352 1.00 0.00 H new ATOM 0 HA SER A 62 5.741 4.883 -10.555 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.432 3.127 -10.865 1.00 0.00 H new ATOM 0 HB3 SER A 62 6.334 1.914 -10.238 1.00 0.00 H new ATOM 0 HG SER A 62 6.365 1.958 -12.553 1.00 0.00 H new ATOM 1025 N TYR A 63 3.388 4.186 -10.943 1.00 0.00 N ATOM 1026 CA TYR A 63 1.957 3.946 -11.077 1.00 0.00 C ATOM 1027 C TYR A 63 1.662 2.455 -11.156 1.00 0.00 C ATOM 1028 O TYR A 63 0.715 1.968 -10.545 1.00 0.00 O ATOM 1029 CB TYR A 63 1.425 4.665 -12.327 1.00 0.00 C ATOM 1030 CG TYR A 63 0.109 4.126 -12.845 1.00 0.00 C ATOM 1031 CD1 TYR A 63 -1.087 4.409 -12.200 1.00 0.00 C ATOM 1032 CD2 TYR A 63 0.069 3.324 -13.978 1.00 0.00 C ATOM 1033 CE1 TYR A 63 -2.287 3.907 -12.672 1.00 0.00 C ATOM 1034 CE2 TYR A 63 -1.124 2.817 -14.455 1.00 0.00 C ATOM 1035 CZ TYR A 63 -2.300 3.112 -13.799 1.00 0.00 C ATOM 1036 OH TYR A 63 -3.492 2.607 -14.272 1.00 0.00 O ATOM 0 H TYR A 63 3.768 4.823 -11.643 1.00 0.00 H new ATOM 0 HA TYR A 63 1.453 4.342 -10.195 1.00 0.00 H new ATOM 0 HB2 TYR A 63 1.305 5.724 -12.099 1.00 0.00 H new ATOM 0 HB3 TYR A 63 2.171 4.592 -13.119 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -1.081 5.030 -11.317 1.00 0.00 H new ATOM 0 HD2 TYR A 63 0.988 3.092 -14.496 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -3.210 4.137 -12.160 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -1.135 2.193 -15.337 1.00 0.00 H new ATOM 0 HH TYR A 63 -3.324 2.068 -15.073 1.00 0.00 H new ATOM 1046 N LYS A 64 2.490 1.733 -11.896 1.00 0.00 N ATOM 1047 CA LYS A 64 2.297 0.309 -12.074 1.00 0.00 C ATOM 1048 C LYS A 64 2.615 -0.446 -10.794 1.00 0.00 C ATOM 1049 O LYS A 64 2.069 -1.517 -10.548 1.00 0.00 O ATOM 1050 CB LYS A 64 3.139 -0.204 -13.240 1.00 0.00 C ATOM 1051 CG LYS A 64 2.614 0.251 -14.590 1.00 0.00 C ATOM 1052 CD LYS A 64 3.369 -0.387 -15.740 1.00 0.00 C ATOM 1053 CE LYS A 64 2.807 0.071 -17.076 1.00 0.00 C ATOM 1054 NZ LYS A 64 3.508 -0.554 -18.229 1.00 0.00 N ATOM 0 H LYS A 64 3.302 2.114 -12.382 1.00 0.00 H new ATOM 0 HA LYS A 64 1.248 0.132 -12.311 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.166 0.141 -13.120 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.163 -1.293 -13.213 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.556 0.002 -14.669 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.693 1.336 -14.662 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.425 -0.126 -15.676 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.304 -1.473 -15.666 1.00 0.00 H new ATOM 0 HE2 LYS A 64 1.746 -0.173 -17.124 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.888 1.156 -17.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 3.090 -0.211 -19.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.516 -0.301 -18.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.409 -1.588 -18.176 1.00 0.00 H new ATOM 1068 N GLN A 65 3.484 0.120 -9.968 1.00 0.00 N ATOM 1069 CA GLN A 65 3.798 -0.482 -8.683 1.00 0.00 C ATOM 1070 C GLN A 65 2.658 -0.250 -7.699 1.00 0.00 C ATOM 1071 O GLN A 65 2.308 -1.141 -6.926 1.00 0.00 O ATOM 1072 CB GLN A 65 5.117 0.066 -8.133 1.00 0.00 C ATOM 1073 CG GLN A 65 6.336 -0.774 -8.502 1.00 0.00 C ATOM 1074 CD GLN A 65 6.494 -0.972 -10.000 1.00 0.00 C ATOM 1075 OE1 GLN A 65 7.154 -0.184 -10.673 1.00 0.00 O ATOM 1076 NE2 GLN A 65 5.893 -2.027 -10.528 1.00 0.00 N ATOM 0 H GLN A 65 3.980 0.989 -10.164 1.00 0.00 H new ATOM 0 HA GLN A 65 3.917 -1.556 -8.824 1.00 0.00 H new ATOM 0 HB2 GLN A 65 5.261 1.081 -8.505 1.00 0.00 H new ATOM 0 HB3 GLN A 65 5.048 0.131 -7.047 1.00 0.00 H new ATOM 0 HG2 GLN A 65 7.232 -0.294 -8.109 1.00 0.00 H new ATOM 0 HG3 GLN A 65 6.258 -1.748 -8.019 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.354 -2.657 -9.934 1.00 0.00 H new ATOM 0 HE22 GLN A 65 5.969 -2.209 -11.529 1.00 0.00 H new ATOM 1085 N VAL A 66 2.057 0.938 -7.753 1.00 0.00 N ATOM 1086 CA VAL A 66 0.921 1.244 -6.882 1.00 0.00 C ATOM 1087 C VAL A 66 -0.320 0.482 -7.343 1.00 0.00 C ATOM 1088 O VAL A 66 -1.052 -0.084 -6.527 1.00 0.00 O ATOM 1089 CB VAL A 66 0.624 2.762 -6.816 1.00 0.00 C ATOM 1090 CG1 VAL A 66 -0.619 3.031 -5.978 1.00 0.00 C ATOM 1091 CG2 VAL A 66 1.819 3.501 -6.233 1.00 0.00 C ATOM 0 H VAL A 66 2.331 1.694 -8.380 1.00 0.00 H new ATOM 0 HA VAL A 66 1.190 0.923 -5.876 1.00 0.00 H new ATOM 0 HB VAL A 66 0.441 3.123 -7.828 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.810 4.104 -5.944 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.475 2.524 -6.423 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.463 2.658 -4.966 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.601 4.568 -6.190 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.020 3.131 -5.228 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.693 3.334 -6.863 1.00 0.00 H new ATOM 1101 N LYS A 67 -0.527 0.446 -8.655 1.00 0.00 N ATOM 1102 CA LYS A 67 -1.673 -0.240 -9.244 1.00 0.00 C ATOM 1103 C LYS A 67 -1.638 -1.734 -8.939 1.00 0.00 C ATOM 1104 O LYS A 67 -2.622 -2.308 -8.477 1.00 0.00 O ATOM 1105 CB LYS A 67 -1.688 -0.036 -10.761 1.00 0.00 C ATOM 1106 CG LYS A 67 -2.908 -0.626 -11.449 1.00 0.00 C ATOM 1107 CD LYS A 67 -2.678 -0.776 -12.942 1.00 0.00 C ATOM 1108 CE LYS A 67 -3.942 -1.221 -13.658 1.00 0.00 C ATOM 1109 NZ LYS A 67 -3.661 -1.686 -15.040 1.00 0.00 N ATOM 0 H LYS A 67 0.090 0.888 -9.337 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.576 0.186 -8.806 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.643 1.032 -10.975 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -0.790 -0.484 -11.187 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -3.139 -1.599 -11.015 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.773 0.014 -11.274 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -2.339 0.174 -13.356 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -1.884 -1.502 -13.118 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -4.415 -2.025 -13.094 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.651 -0.394 -13.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -4.549 -1.981 -15.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -3.233 -0.912 -15.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -3.004 -2.492 -15.008 1.00 0.00 H new ATOM 1123 N THR A 68 -0.496 -2.352 -9.201 1.00 0.00 N ATOM 1124 CA THR A 68 -0.345 -3.792 -9.031 1.00 0.00 C ATOM 1125 C THR A 68 -0.534 -4.210 -7.573 1.00 0.00 C ATOM 1126 O THR A 68 -1.199 -5.208 -7.291 1.00 0.00 O ATOM 1127 CB THR A 68 1.029 -4.270 -9.541 1.00 0.00 C ATOM 1128 OG1 THR A 68 1.185 -3.907 -10.919 1.00 0.00 O ATOM 1129 CG2 THR A 68 1.183 -5.776 -9.394 1.00 0.00 C ATOM 0 H THR A 68 0.344 -1.878 -9.534 1.00 0.00 H new ATOM 0 HA THR A 68 -1.125 -4.267 -9.626 1.00 0.00 H new ATOM 0 HB THR A 68 1.798 -3.788 -8.938 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.480 -2.974 -10.980 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.163 -6.079 -9.763 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.090 -6.050 -8.343 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.407 -6.279 -9.970 1.00 0.00 H new ATOM 1137 N TRP A 69 0.032 -3.445 -6.645 1.00 0.00 N ATOM 1138 CA TRP A 69 -0.109 -3.757 -5.225 1.00 0.00 C ATOM 1139 C TRP A 69 -1.578 -3.647 -4.817 1.00 0.00 C ATOM 1140 O TRP A 69 -2.116 -4.522 -4.134 1.00 0.00 O ATOM 1141 CB TRP A 69 0.751 -2.816 -4.378 1.00 0.00 C ATOM 1142 CG TRP A 69 0.956 -3.303 -2.976 1.00 0.00 C ATOM 1143 CD1 TRP A 69 1.914 -4.177 -2.550 1.00 0.00 C ATOM 1144 CD2 TRP A 69 0.188 -2.953 -1.817 1.00 0.00 C ATOM 1145 NE1 TRP A 69 1.790 -4.393 -1.201 1.00 0.00 N ATOM 1146 CE2 TRP A 69 0.740 -3.653 -0.728 1.00 0.00 C ATOM 1147 CE3 TRP A 69 -0.911 -2.117 -1.593 1.00 0.00 C ATOM 1148 CZ2 TRP A 69 0.233 -3.540 0.563 1.00 0.00 C ATOM 1149 CZ3 TRP A 69 -1.413 -2.008 -0.310 1.00 0.00 C ATOM 1150 CH2 TRP A 69 -0.840 -2.717 0.753 1.00 0.00 C ATOM 0 H TRP A 69 0.587 -2.613 -6.846 1.00 0.00 H new ATOM 0 HA TRP A 69 0.234 -4.777 -5.053 1.00 0.00 H new ATOM 0 HB2 TRP A 69 1.722 -2.691 -4.858 1.00 0.00 H new ATOM 0 HB3 TRP A 69 0.281 -1.833 -4.349 1.00 0.00 H new ATOM 0 HD1 TRP A 69 2.661 -4.632 -3.183 1.00 0.00 H new ATOM 0 HE1 TRP A 69 2.384 -5.005 -0.641 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -1.359 -1.567 -2.407 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 0.673 -4.084 1.386 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -2.261 -1.366 -0.124 1.00 0.00 H new ATOM 0 HH2 TRP A 69 -1.256 -2.611 1.744 1.00 0.00 H new ATOM 1161 N PHE A 70 -2.219 -2.575 -5.273 1.00 0.00 N ATOM 1162 CA PHE A 70 -3.636 -2.347 -5.018 1.00 0.00 C ATOM 1163 C PHE A 70 -4.490 -3.468 -5.606 1.00 0.00 C ATOM 1164 O PHE A 70 -5.428 -3.937 -4.965 1.00 0.00 O ATOM 1165 CB PHE A 70 -4.064 -0.990 -5.599 1.00 0.00 C ATOM 1166 CG PHE A 70 -5.549 -0.837 -5.773 1.00 0.00 C ATOM 1167 CD1 PHE A 70 -6.369 -0.567 -4.692 1.00 0.00 C ATOM 1168 CD2 PHE A 70 -6.121 -0.973 -7.027 1.00 0.00 C ATOM 1169 CE1 PHE A 70 -7.734 -0.434 -4.860 1.00 0.00 C ATOM 1170 CE2 PHE A 70 -7.483 -0.842 -7.201 1.00 0.00 C ATOM 1171 CZ PHE A 70 -8.291 -0.573 -6.117 1.00 0.00 C ATOM 0 H PHE A 70 -1.773 -1.844 -5.827 1.00 0.00 H new ATOM 0 HA PHE A 70 -3.791 -2.338 -3.939 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -3.702 -0.197 -4.945 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -3.580 -0.852 -6.566 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.938 -0.459 -3.708 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -5.493 -1.184 -7.880 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -8.365 -0.222 -4.010 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -7.916 -0.950 -8.185 1.00 0.00 H new ATOM 0 HZ PHE A 70 -9.358 -0.471 -6.250 1.00 0.00 H new ATOM 1181 N GLN A 71 -4.164 -3.896 -6.819 1.00 0.00 N ATOM 1182 CA GLN A 71 -4.938 -4.933 -7.493 1.00 0.00 C ATOM 1183 C GLN A 71 -4.795 -6.264 -6.762 1.00 0.00 C ATOM 1184 O GLN A 71 -5.746 -7.036 -6.667 1.00 0.00 O ATOM 1185 CB GLN A 71 -4.485 -5.078 -8.947 1.00 0.00 C ATOM 1186 CG GLN A 71 -5.484 -5.819 -9.829 1.00 0.00 C ATOM 1187 CD GLN A 71 -6.788 -5.059 -9.992 1.00 0.00 C ATOM 1188 OE1 GLN A 71 -7.728 -5.233 -9.218 1.00 0.00 O ATOM 1189 NE2 GLN A 71 -6.852 -4.209 -11.000 1.00 0.00 N ATOM 0 H GLN A 71 -3.372 -3.543 -7.356 1.00 0.00 H new ATOM 0 HA GLN A 71 -5.988 -4.640 -7.482 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -4.311 -4.086 -9.365 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -3.532 -5.606 -8.970 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -5.041 -5.990 -10.810 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -5.689 -6.798 -9.397 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -6.051 -4.092 -11.621 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -7.703 -3.669 -11.158 1.00 0.00 H new ATOM 1198 N ASN A 72 -3.606 -6.512 -6.223 1.00 0.00 N ATOM 1199 CA ASN A 72 -3.334 -7.738 -5.480 1.00 0.00 C ATOM 1200 C ASN A 72 -4.122 -7.758 -4.178 1.00 0.00 C ATOM 1201 O ASN A 72 -4.819 -8.727 -3.888 1.00 0.00 O ATOM 1202 CB ASN A 72 -1.836 -7.895 -5.184 1.00 0.00 C ATOM 1203 CG ASN A 72 -1.089 -8.606 -6.298 1.00 0.00 C ATOM 1204 OD1 ASN A 72 -0.933 -9.826 -6.281 1.00 0.00 O ATOM 1205 ND2 ASN A 72 -0.619 -7.850 -7.273 1.00 0.00 N ATOM 0 H ASN A 72 -2.811 -5.876 -6.287 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.648 -8.576 -6.103 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.396 -6.910 -5.028 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -1.710 -8.451 -4.255 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -0.107 -8.275 -8.046 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -0.768 -6.841 -7.253 1.00 0.00 H new ATOM 1212 N GLN A 73 -4.023 -6.678 -3.402 1.00 0.00 N ATOM 1213 CA GLN A 73 -4.754 -6.580 -2.143 1.00 0.00 C ATOM 1214 C GLN A 73 -6.258 -6.599 -2.416 1.00 0.00 C ATOM 1215 O GLN A 73 -7.045 -7.093 -1.604 1.00 0.00 O ATOM 1216 CB GLN A 73 -4.328 -5.317 -1.364 1.00 0.00 C ATOM 1217 CG GLN A 73 -4.797 -4.001 -1.964 1.00 0.00 C ATOM 1218 CD GLN A 73 -6.203 -3.623 -1.532 1.00 0.00 C ATOM 1219 OE1 GLN A 73 -6.637 -3.943 -0.424 1.00 0.00 O ATOM 1220 NE2 GLN A 73 -6.934 -2.965 -2.414 1.00 0.00 N ATOM 0 H GLN A 73 -3.447 -5.865 -3.623 1.00 0.00 H new ATOM 0 HA GLN A 73 -4.513 -7.440 -1.518 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -4.710 -5.391 -0.346 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -3.240 -5.300 -1.296 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -4.107 -3.209 -1.673 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -4.763 -4.070 -3.051 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -6.539 -2.718 -3.321 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -7.894 -2.704 -2.188 1.00 0.00 H new ATOM 1229 N ARG A 74 -6.640 -6.074 -3.576 1.00 0.00 N ATOM 1230 CA ARG A 74 -8.028 -6.080 -4.010 1.00 0.00 C ATOM 1231 C ARG A 74 -8.481 -7.505 -4.292 1.00 0.00 C ATOM 1232 O ARG A 74 -9.558 -7.914 -3.867 1.00 0.00 O ATOM 1233 CB ARG A 74 -8.186 -5.220 -5.264 1.00 0.00 C ATOM 1234 CG ARG A 74 -9.622 -5.013 -5.710 1.00 0.00 C ATOM 1235 CD ARG A 74 -9.669 -4.246 -7.019 1.00 0.00 C ATOM 1236 NE ARG A 74 -11.028 -3.896 -7.422 1.00 0.00 N ATOM 1237 CZ ARG A 74 -11.452 -3.892 -8.684 1.00 0.00 C ATOM 1238 NH1 ARG A 74 -10.653 -4.316 -9.659 1.00 0.00 N ATOM 1239 NH2 ARG A 74 -12.681 -3.477 -8.964 1.00 0.00 N ATOM 0 H ARG A 74 -5.998 -5.635 -4.237 1.00 0.00 H new ATOM 0 HA ARG A 74 -8.649 -5.665 -3.216 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -7.732 -4.246 -5.081 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -7.629 -5.683 -6.079 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -10.114 -5.978 -5.830 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -10.172 -4.468 -4.943 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -9.078 -3.335 -6.923 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -9.206 -4.845 -7.803 1.00 0.00 H new ATOM 0 HE ARG A 74 -11.693 -3.639 -6.692 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -9.713 -4.645 -9.441 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -10.981 -4.312 -10.625 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -13.297 -3.163 -8.214 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -13.010 -3.472 -9.929 1.00 0.00 H new ATOM 1253 N MET A 75 -7.643 -8.265 -4.993 1.00 0.00 N ATOM 1254 CA MET A 75 -7.951 -9.663 -5.282 1.00 0.00 C ATOM 1255 C MET A 75 -7.998 -10.478 -3.995 1.00 0.00 C ATOM 1256 O MET A 75 -8.834 -11.372 -3.849 1.00 0.00 O ATOM 1257 CB MET A 75 -6.929 -10.266 -6.249 1.00 0.00 C ATOM 1258 CG MET A 75 -7.014 -9.705 -7.661 1.00 0.00 C ATOM 1259 SD MET A 75 -5.877 -10.513 -8.804 1.00 0.00 S ATOM 1260 CE MET A 75 -4.306 -10.170 -8.016 1.00 0.00 C ATOM 0 H MET A 75 -6.752 -7.940 -5.369 1.00 0.00 H new ATOM 0 HA MET A 75 -8.932 -9.696 -5.757 1.00 0.00 H new ATOM 0 HB2 MET A 75 -5.926 -10.092 -5.859 1.00 0.00 H new ATOM 0 HB3 MET A 75 -7.073 -11.346 -6.288 1.00 0.00 H new ATOM 0 HG2 MET A 75 -8.033 -9.816 -8.030 1.00 0.00 H new ATOM 0 HG3 MET A 75 -6.799 -8.637 -7.636 1.00 0.00 H new ATOM 0 HE1 MET A 75 -3.496 -10.545 -8.641 1.00 0.00 H new ATOM 0 HE2 MET A 75 -4.193 -9.094 -7.882 1.00 0.00 H new ATOM 0 HE3 MET A 75 -4.271 -10.662 -7.044 1.00 0.00 H new ATOM 1270 N LYS A 76 -7.110 -10.158 -3.056 1.00 0.00 N ATOM 1271 CA LYS A 76 -7.095 -10.827 -1.755 1.00 0.00 C ATOM 1272 C LYS A 76 -8.411 -10.595 -1.021 1.00 0.00 C ATOM 1273 O LYS A 76 -8.999 -11.522 -0.476 1.00 0.00 O ATOM 1274 CB LYS A 76 -5.935 -10.326 -0.887 1.00 0.00 C ATOM 1275 CG LYS A 76 -4.551 -10.610 -1.455 1.00 0.00 C ATOM 1276 CD LYS A 76 -4.306 -12.100 -1.643 1.00 0.00 C ATOM 1277 CE LYS A 76 -2.877 -12.374 -2.089 1.00 0.00 C ATOM 1278 NZ LYS A 76 -1.883 -12.005 -1.046 1.00 0.00 N ATOM 0 H LYS A 76 -6.393 -9.442 -3.170 1.00 0.00 H new ATOM 0 HA LYS A 76 -6.962 -11.894 -1.935 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -6.042 -9.250 -0.746 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -6.011 -10.786 0.098 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -4.441 -10.101 -2.413 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -3.794 -10.200 -0.787 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -4.504 -12.624 -0.708 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -5.002 -12.495 -2.383 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -2.770 -13.431 -2.332 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -2.669 -11.814 -3.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.963 -12.433 -1.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.784 -10.970 -1.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -2.205 -12.354 -0.121 1.00 0.00 H new