USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 516 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 NoAdj-H: A 569 HIS HD1 : A 569 HIS ND1 : A 701 ZNZN :(H bumps) USER MOD NoAdj-H: A 572 HIS HD1 : A 572 HIS ND1 : A 701 ZNZN :(H bumps) USER MOD Set 1.1: A 598 ASN : amide:sc= -0.071 X(o=-0.14,f=-0.28) USER MOD Set 1.2: A 602 LYS NZ :NH3+ -170:sc= -0.0666 (180deg=0) USER MOD Set 2.1: A 583 ASN : amide:sc= 0.146 K(o=1.4,f=0.74) USER MOD Set 2.2: A 586 THR OG1 : rot -67:sc= 1.22 USER MOD Single : A 541 TYR OH : rot 180:sc= 0 USER MOD Single : A 542 HIS : no HD1:sc= -3.49! C(o=-3.5!,f=-4.4!) USER MOD Single : A 547 SER OG : rot 170:sc= -0.267 USER MOD Single : A 550 SER OG : rot -60:sc= -0.113 USER MOD Single : A 553 GLN :FLIP amide:sc= -2.59 F(o=-5.1!,f=-2.6) USER MOD Single : A 554 LYS NZ :NH3+ 174:sc= 1.3 (180deg=1.19) USER MOD Single : A 557 THR OG1 : rot 52:sc= 0.399 USER MOD Single : A 560 CYS SG : rot 21:sc= 0.945 USER MOD Single : A 562 THR OG1 : rot 180:sc= 0 USER MOD Single : A 564 MET CE :methyl -161:sc= -0.289 (180deg=-1.41) USER MOD Single : A 566 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 567 LYS NZ :NH3+ -111:sc= 0.383 (180deg=-1.18!) USER MOD Single : A 580 LYS NZ :NH3+ 157:sc= -0.0154 (180deg=-0.146) USER MOD Single : A 581 GLN :FLIP amide:sc= 0 F(o=-0.58,f=0) USER MOD Single : A 584 LYS NZ :NH3+ -149:sc= 0.226 (180deg=-0.342) USER MOD Single : A 588 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 590 GLN :FLIP amide:sc= -0.553 F(o=-2.6,f=-0.55) USER MOD Single : A 591 ASN : amide:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 593 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 595 TYR OH : rot 30:sc= 0 USER MOD Single : A 597 GLN :FLIP amide:sc= -2.32! C(o=-6!,f=-2.3!) USER MOD Single : A 605 CYS SG : rot 180:sc= -0.0337 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 541 48.465 10.844 -13.145 1.00 0.00 N ATOM 2 CA TYR A 541 47.382 10.300 -14.014 1.00 0.00 C ATOM 3 C TYR A 541 46.389 9.509 -13.156 1.00 0.00 C ATOM 4 O TYR A 541 46.466 9.510 -11.943 1.00 0.00 O ATOM 5 CB TYR A 541 47.994 9.380 -15.075 1.00 0.00 C ATOM 6 CG TYR A 541 48.853 10.192 -16.016 1.00 0.00 C ATOM 7 CD1 TYR A 541 50.245 10.200 -15.863 1.00 0.00 C ATOM 8 CD2 TYR A 541 48.258 10.937 -17.042 1.00 0.00 C ATOM 9 CE1 TYR A 541 51.041 10.953 -16.734 1.00 0.00 C ATOM 10 CE2 TYR A 541 49.055 11.689 -17.914 1.00 0.00 C ATOM 11 CZ TYR A 541 50.446 11.697 -17.759 1.00 0.00 C ATOM 12 OH TYR A 541 51.231 12.438 -18.618 1.00 0.00 O ATOM 0 HA TYR A 541 46.860 11.121 -14.505 1.00 0.00 H new ATOM 0 HB2 TYR A 541 48.593 8.605 -14.597 1.00 0.00 H new ATOM 0 HB3 TYR A 541 47.205 8.875 -15.632 1.00 0.00 H new ATOM 0 HD1 TYR A 541 50.705 9.625 -15.073 1.00 0.00 H new ATOM 0 HD2 TYR A 541 47.185 10.932 -17.161 1.00 0.00 H new ATOM 0 HE1 TYR A 541 52.114 10.960 -16.615 1.00 0.00 H new ATOM 0 HE2 TYR A 541 48.596 12.263 -18.706 1.00 0.00 H new ATOM 0 HH TYR A 541 50.660 12.894 -19.272 1.00 0.00 H new ATOM 22 N HIS A 542 45.457 8.837 -13.781 1.00 0.00 N ATOM 23 CA HIS A 542 44.451 8.042 -13.014 1.00 0.00 C ATOM 24 C HIS A 542 44.396 6.622 -13.576 1.00 0.00 C ATOM 25 O HIS A 542 44.699 5.661 -12.896 1.00 0.00 O ATOM 26 CB HIS A 542 43.071 8.699 -13.140 1.00 0.00 C ATOM 27 CG HIS A 542 42.828 9.122 -14.565 1.00 0.00 C ATOM 28 ND1 HIS A 542 43.523 10.167 -15.154 1.00 0.00 N ATOM 29 CD2 HIS A 542 41.972 8.651 -15.529 1.00 0.00 C ATOM 30 CE1 HIS A 542 43.077 10.288 -16.417 1.00 0.00 C ATOM 31 NE2 HIS A 542 42.131 9.388 -16.698 1.00 0.00 N ATOM 0 H HIS A 542 45.349 8.804 -14.795 1.00 0.00 H new ATOM 0 HA HIS A 542 44.737 8.008 -11.963 1.00 0.00 H new ATOM 0 HB2 HIS A 542 42.297 8.001 -12.823 1.00 0.00 H new ATOM 0 HB3 HIS A 542 43.010 9.564 -12.480 1.00 0.00 H new ATOM 0 HD2 HIS A 542 41.280 7.832 -15.400 1.00 0.00 H new ATOM 0 HE1 HIS A 542 43.440 11.024 -17.119 1.00 0.00 H new ATOM 0 HE2 HIS A 542 41.633 9.267 -17.580 1.00 0.00 H new ATOM 39 N GLU A 543 44.012 6.496 -14.816 1.00 0.00 N ATOM 40 CA GLU A 543 43.927 5.151 -15.462 1.00 0.00 C ATOM 41 C GLU A 543 43.024 4.232 -14.629 1.00 0.00 C ATOM 42 O GLU A 543 41.816 4.370 -14.635 1.00 0.00 O ATOM 43 CB GLU A 543 45.333 4.544 -15.578 1.00 0.00 C ATOM 44 CG GLU A 543 46.251 5.506 -16.343 1.00 0.00 C ATOM 45 CD GLU A 543 47.430 5.912 -15.454 1.00 0.00 C ATOM 46 OE1 GLU A 543 47.191 6.531 -14.430 1.00 0.00 O ATOM 47 OE2 GLU A 543 48.553 5.599 -15.813 1.00 0.00 O ATOM 0 H GLU A 543 43.750 7.276 -15.419 1.00 0.00 H new ATOM 0 HA GLU A 543 43.501 5.256 -16.460 1.00 0.00 H new ATOM 0 HB2 GLU A 543 45.739 4.351 -14.585 1.00 0.00 H new ATOM 0 HB3 GLU A 543 45.284 3.585 -16.094 1.00 0.00 H new ATOM 0 HG2 GLU A 543 46.616 5.029 -17.253 1.00 0.00 H new ATOM 0 HG3 GLU A 543 45.693 6.391 -16.649 1.00 0.00 H new ATOM 54 N ARG A 544 43.599 3.297 -13.915 1.00 0.00 N ATOM 55 CA ARG A 544 42.779 2.367 -13.083 1.00 0.00 C ATOM 56 C ARG A 544 43.148 2.540 -11.607 1.00 0.00 C ATOM 57 O ARG A 544 43.957 3.375 -11.254 1.00 0.00 O ATOM 58 CB ARG A 544 43.054 0.926 -13.514 1.00 0.00 C ATOM 59 CG ARG A 544 42.419 0.673 -14.884 1.00 0.00 C ATOM 60 CD ARG A 544 40.893 0.735 -14.773 1.00 0.00 C ATOM 61 NE ARG A 544 40.424 2.104 -15.137 1.00 0.00 N ATOM 62 CZ ARG A 544 39.162 2.325 -15.396 1.00 0.00 C ATOM 63 NH1 ARG A 544 38.767 3.525 -15.715 1.00 0.00 N ATOM 64 NH2 ARG A 544 38.297 1.350 -15.336 1.00 0.00 N ATOM 0 H ARG A 544 44.606 3.138 -13.873 1.00 0.00 H new ATOM 0 HA ARG A 544 41.721 2.592 -13.219 1.00 0.00 H new ATOM 0 HB2 ARG A 544 44.128 0.748 -13.561 1.00 0.00 H new ATOM 0 HB3 ARG A 544 42.647 0.231 -12.779 1.00 0.00 H new ATOM 0 HG2 ARG A 544 42.770 1.416 -15.600 1.00 0.00 H new ATOM 0 HG3 ARG A 544 42.725 -0.303 -15.261 1.00 0.00 H new ATOM 0 HD2 ARG A 544 40.439 -0.004 -15.433 1.00 0.00 H new ATOM 0 HD3 ARG A 544 40.581 0.490 -13.758 1.00 0.00 H new ATOM 0 HE ARG A 544 41.093 2.873 -15.184 1.00 0.00 H new ATOM 0 HH11 ARG A 544 39.442 4.288 -15.762 1.00 0.00 H new ATOM 0 HH12 ARG A 544 37.783 3.701 -15.918 1.00 0.00 H new ATOM 0 HH21 ARG A 544 38.604 0.410 -15.086 1.00 0.00 H new ATOM 0 HH22 ARG A 544 37.313 1.528 -15.539 1.00 0.00 H new ATOM 78 N ARG A 545 42.561 1.751 -10.744 1.00 0.00 N ATOM 79 CA ARG A 545 42.874 1.858 -9.289 1.00 0.00 C ATOM 80 C ARG A 545 43.930 0.812 -8.931 1.00 0.00 C ATOM 81 O ARG A 545 44.864 0.586 -9.676 1.00 0.00 O ATOM 82 CB ARG A 545 41.606 1.604 -8.472 1.00 0.00 C ATOM 83 CG ARG A 545 40.419 2.283 -9.150 1.00 0.00 C ATOM 84 CD ARG A 545 39.259 2.376 -8.160 1.00 0.00 C ATOM 85 NE ARG A 545 37.982 2.675 -8.889 1.00 0.00 N ATOM 86 CZ ARG A 545 37.889 3.675 -9.730 1.00 0.00 C ATOM 87 NH1 ARG A 545 36.801 3.827 -10.431 1.00 0.00 N ATOM 88 NH2 ARG A 545 38.851 4.549 -9.834 1.00 0.00 N ATOM 0 H ARG A 545 41.876 1.035 -10.986 1.00 0.00 H new ATOM 0 HA ARG A 545 43.251 2.856 -9.065 1.00 0.00 H new ATOM 0 HB2 ARG A 545 41.425 0.533 -8.385 1.00 0.00 H new ATOM 0 HB3 ARG A 545 41.729 1.989 -7.460 1.00 0.00 H new ATOM 0 HG2 ARG A 545 40.701 3.279 -9.492 1.00 0.00 H new ATOM 0 HG3 ARG A 545 40.116 1.717 -10.031 1.00 0.00 H new ATOM 0 HD2 ARG A 545 39.163 1.439 -7.611 1.00 0.00 H new ATOM 0 HD3 ARG A 545 39.459 3.156 -7.426 1.00 0.00 H new ATOM 0 HE ARG A 545 37.166 2.085 -8.726 1.00 0.00 H new ATOM 0 HH11 ARG A 545 36.029 3.170 -10.323 1.00 0.00 H new ATOM 0 HH12 ARG A 545 36.722 4.603 -11.088 1.00 0.00 H new ATOM 0 HH21 ARG A 545 39.687 4.458 -9.257 1.00 0.00 H new ATOM 0 HH22 ARG A 545 38.767 5.324 -10.492 1.00 0.00 H new ATOM 102 N GLY A 546 43.785 0.165 -7.803 1.00 0.00 N ATOM 103 CA GLY A 546 44.776 -0.872 -7.407 1.00 0.00 C ATOM 104 C GLY A 546 45.365 -0.533 -6.037 1.00 0.00 C ATOM 105 O GLY A 546 44.741 -0.741 -5.015 1.00 0.00 O ATOM 0 H GLY A 546 43.023 0.312 -7.141 1.00 0.00 H new ATOM 0 HA2 GLY A 546 44.298 -1.851 -7.375 1.00 0.00 H new ATOM 0 HA3 GLY A 546 45.571 -0.930 -8.150 1.00 0.00 H new ATOM 109 N SER A 547 46.566 -0.015 -6.010 1.00 0.00 N ATOM 110 CA SER A 547 47.207 0.337 -4.708 1.00 0.00 C ATOM 111 C SER A 547 48.059 1.594 -4.889 1.00 0.00 C ATOM 112 O SER A 547 48.980 1.617 -5.680 1.00 0.00 O ATOM 113 CB SER A 547 48.096 -0.821 -4.250 1.00 0.00 C ATOM 114 OG SER A 547 47.503 -1.450 -3.122 1.00 0.00 O ATOM 0 H SER A 547 47.132 0.180 -6.836 1.00 0.00 H new ATOM 0 HA SER A 547 46.438 0.522 -3.958 1.00 0.00 H new ATOM 0 HB2 SER A 547 48.220 -1.541 -5.059 1.00 0.00 H new ATOM 0 HB3 SER A 547 49.090 -0.453 -3.995 1.00 0.00 H new ATOM 0 HG SER A 547 47.979 -2.284 -2.925 1.00 0.00 H new ATOM 120 N LEU A 548 47.758 2.639 -4.164 1.00 0.00 N ATOM 121 CA LEU A 548 48.552 3.894 -4.301 1.00 0.00 C ATOM 122 C LEU A 548 49.934 3.702 -3.680 1.00 0.00 C ATOM 123 O LEU A 548 50.074 3.142 -2.611 1.00 0.00 O ATOM 124 CB LEU A 548 47.835 5.044 -3.585 1.00 0.00 C ATOM 125 CG LEU A 548 46.823 5.701 -4.531 1.00 0.00 C ATOM 126 CD1 LEU A 548 45.856 4.647 -5.076 1.00 0.00 C ATOM 127 CD2 LEU A 548 46.033 6.769 -3.769 1.00 0.00 C ATOM 0 H LEU A 548 46.998 2.677 -3.484 1.00 0.00 H new ATOM 0 HA LEU A 548 48.656 4.132 -5.360 1.00 0.00 H new ATOM 0 HB2 LEU A 548 47.325 4.669 -2.697 1.00 0.00 H new ATOM 0 HB3 LEU A 548 48.562 5.783 -3.247 1.00 0.00 H new ATOM 0 HG LEU A 548 47.357 6.161 -5.362 1.00 0.00 H new ATOM 0 HD11 LEU A 548 45.140 5.122 -5.747 1.00 0.00 H new ATOM 0 HD12 LEU A 548 46.416 3.887 -5.621 1.00 0.00 H new ATOM 0 HD13 LEU A 548 45.322 4.180 -4.248 1.00 0.00 H new ATOM 0 HD21 LEU A 548 45.313 7.237 -4.440 1.00 0.00 H new ATOM 0 HD22 LEU A 548 45.504 6.305 -2.936 1.00 0.00 H new ATOM 0 HD23 LEU A 548 46.719 7.526 -3.388 1.00 0.00 H new ATOM 139 N CYS A 549 50.952 4.185 -4.336 1.00 0.00 N ATOM 140 CA CYS A 549 52.327 4.061 -3.788 1.00 0.00 C ATOM 141 C CYS A 549 52.491 5.118 -2.712 1.00 0.00 C ATOM 142 O CYS A 549 52.520 6.298 -2.999 1.00 0.00 O ATOM 143 CB CYS A 549 53.348 4.295 -4.906 1.00 0.00 C ATOM 144 SG CYS A 549 54.819 5.147 -4.258 1.00 0.00 S ATOM 0 H CYS A 549 50.888 4.663 -5.235 1.00 0.00 H new ATOM 0 HA CYS A 549 52.488 3.066 -3.373 1.00 0.00 H new ATOM 0 HB2 CYS A 549 53.638 3.341 -5.347 1.00 0.00 H new ATOM 0 HB3 CYS A 549 52.897 4.890 -5.700 1.00 0.00 H new ATOM 149 N SER A 550 52.588 4.715 -1.478 1.00 0.00 N ATOM 150 CA SER A 550 52.745 5.719 -0.396 1.00 0.00 C ATOM 151 C SER A 550 53.891 6.648 -0.785 1.00 0.00 C ATOM 152 O SER A 550 55.032 6.243 -0.890 1.00 0.00 O ATOM 153 CB SER A 550 53.048 5.027 0.928 1.00 0.00 C ATOM 154 OG SER A 550 51.960 4.181 1.275 1.00 0.00 O ATOM 0 H SER A 550 52.566 3.741 -1.174 1.00 0.00 H new ATOM 0 HA SER A 550 51.824 6.288 -0.270 1.00 0.00 H new ATOM 0 HB2 SER A 550 53.965 4.444 0.845 1.00 0.00 H new ATOM 0 HB3 SER A 550 53.211 5.768 1.710 1.00 0.00 H new ATOM 0 HG SER A 550 51.145 4.717 1.366 1.00 0.00 H new ATOM 160 N GLY A 551 53.573 7.877 -1.049 1.00 0.00 N ATOM 161 CA GLY A 551 54.605 8.854 -1.494 1.00 0.00 C ATOM 162 C GLY A 551 54.179 9.382 -2.864 1.00 0.00 C ATOM 163 O GLY A 551 54.453 10.510 -3.224 1.00 0.00 O ATOM 0 H GLY A 551 52.629 8.256 -0.976 1.00 0.00 H new ATOM 0 HA2 GLY A 551 54.692 9.672 -0.778 1.00 0.00 H new ATOM 0 HA3 GLY A 551 55.583 8.377 -1.554 1.00 0.00 H new ATOM 167 N CYS A 552 53.492 8.560 -3.621 1.00 0.00 N ATOM 168 CA CYS A 552 53.013 8.977 -4.970 1.00 0.00 C ATOM 169 C CYS A 552 51.508 9.224 -4.916 1.00 0.00 C ATOM 170 O CYS A 552 50.973 10.009 -5.674 1.00 0.00 O ATOM 171 CB CYS A 552 53.282 7.855 -5.973 1.00 0.00 C ATOM 172 SG CYS A 552 54.876 8.127 -6.773 1.00 0.00 S ATOM 0 H CYS A 552 53.242 7.608 -3.355 1.00 0.00 H new ATOM 0 HA CYS A 552 53.534 9.885 -5.273 1.00 0.00 H new ATOM 0 HB2 CYS A 552 53.279 6.891 -5.465 1.00 0.00 H new ATOM 0 HB3 CYS A 552 52.489 7.824 -6.720 1.00 0.00 H new ATOM 177 N GLN A 553 50.820 8.539 -4.036 1.00 0.00 N ATOM 178 CA GLN A 553 49.340 8.704 -3.933 1.00 0.00 C ATOM 179 C GLN A 553 48.708 8.359 -5.284 1.00 0.00 C ATOM 180 O GLN A 553 47.659 8.857 -5.643 1.00 0.00 O ATOM 181 CB GLN A 553 48.999 10.145 -3.540 1.00 0.00 C ATOM 182 CG GLN A 553 49.464 10.408 -2.103 1.00 0.00 C ATOM 183 CD GLN A 553 50.976 10.653 -2.080 1.00 0.00 C ATOM 184 OE1 GLN A 553 51.701 10.082 -1.159 1.00 0.00 O flip ATOM 185 NE2 GLN A 553 51.502 11.373 -2.905 1.00 0.00 N flip ATOM 0 H GLN A 553 51.224 7.869 -3.382 1.00 0.00 H new ATOM 0 HA GLN A 553 48.947 8.037 -3.166 1.00 0.00 H new ATOM 0 HB2 GLN A 553 49.482 10.843 -4.223 1.00 0.00 H new ATOM 0 HB3 GLN A 553 47.925 10.311 -3.622 1.00 0.00 H new ATOM 0 HG2 GLN A 553 48.941 11.273 -1.695 1.00 0.00 H new ATOM 0 HG3 GLN A 553 49.215 9.557 -1.470 1.00 0.00 H new ATOM 0 HE21 GLN A 553 50.936 11.820 -3.626 1.00 0.00 H new ATOM 0 HE22 GLN A 553 52.509 11.530 -2.877 1.00 0.00 H new ATOM 194 N LYS A 554 49.349 7.492 -6.025 1.00 0.00 N ATOM 195 CA LYS A 554 48.817 7.075 -7.353 1.00 0.00 C ATOM 196 C LYS A 554 48.911 5.551 -7.442 1.00 0.00 C ATOM 197 O LYS A 554 49.877 4.966 -6.988 1.00 0.00 O ATOM 198 CB LYS A 554 49.657 7.706 -8.470 1.00 0.00 C ATOM 199 CG LYS A 554 49.421 9.220 -8.509 1.00 0.00 C ATOM 200 CD LYS A 554 47.972 9.507 -8.914 1.00 0.00 C ATOM 201 CE LYS A 554 47.848 10.953 -9.399 1.00 0.00 C ATOM 202 NZ LYS A 554 46.446 11.212 -9.833 1.00 0.00 N ATOM 0 H LYS A 554 50.230 7.051 -5.761 1.00 0.00 H new ATOM 0 HA LYS A 554 47.783 7.401 -7.465 1.00 0.00 H new ATOM 0 HB2 LYS A 554 50.714 7.498 -8.304 1.00 0.00 H new ATOM 0 HB3 LYS A 554 49.392 7.263 -9.430 1.00 0.00 H new ATOM 0 HG2 LYS A 554 49.628 9.655 -7.531 1.00 0.00 H new ATOM 0 HG3 LYS A 554 50.106 9.686 -9.217 1.00 0.00 H new ATOM 0 HD2 LYS A 554 47.662 8.821 -9.702 1.00 0.00 H new ATOM 0 HD3 LYS A 554 47.307 9.339 -8.066 1.00 0.00 H new ATOM 0 HE2 LYS A 554 48.126 11.641 -8.600 1.00 0.00 H new ATOM 0 HE3 LYS A 554 48.535 11.131 -10.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 554 46.335 12.219 -10.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 554 46.230 10.636 -10.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 554 45.793 10.961 -9.064 1.00 0.00 H new ATOM 216 N PRO A 555 47.915 4.907 -8.002 1.00 0.00 N ATOM 217 CA PRO A 555 47.913 3.424 -8.111 1.00 0.00 C ATOM 218 C PRO A 555 49.233 2.846 -8.612 1.00 0.00 C ATOM 219 O PRO A 555 49.995 3.493 -9.305 1.00 0.00 O ATOM 220 CB PRO A 555 46.791 3.167 -9.107 1.00 0.00 C ATOM 221 CG PRO A 555 45.954 4.446 -9.223 1.00 0.00 C ATOM 222 CD PRO A 555 46.728 5.599 -8.570 1.00 0.00 C ATOM 0 HA PRO A 555 47.775 2.945 -7.142 1.00 0.00 H new ATOM 0 HB2 PRO A 555 47.201 2.891 -10.079 1.00 0.00 H new ATOM 0 HB3 PRO A 555 46.170 2.335 -8.775 1.00 0.00 H new ATOM 0 HG2 PRO A 555 45.751 4.672 -10.270 1.00 0.00 H new ATOM 0 HG3 PRO A 555 44.989 4.313 -8.733 1.00 0.00 H new ATOM 0 HD2 PRO A 555 47.011 6.361 -9.296 1.00 0.00 H new ATOM 0 HD3 PRO A 555 46.141 6.097 -7.799 1.00 0.00 H new ATOM 230 N ILE A 556 49.496 1.625 -8.252 1.00 0.00 N ATOM 231 CA ILE A 556 50.753 0.959 -8.673 1.00 0.00 C ATOM 232 C ILE A 556 50.423 -0.091 -9.739 1.00 0.00 C ATOM 233 O ILE A 556 50.071 -1.214 -9.433 1.00 0.00 O ATOM 234 CB ILE A 556 51.378 0.298 -7.442 1.00 0.00 C ATOM 235 CG1 ILE A 556 51.838 1.390 -6.462 1.00 0.00 C ATOM 236 CG2 ILE A 556 52.576 -0.557 -7.864 1.00 0.00 C ATOM 237 CD1 ILE A 556 51.908 0.825 -5.039 1.00 0.00 C ATOM 0 H ILE A 556 48.882 1.051 -7.674 1.00 0.00 H new ATOM 0 HA ILE A 556 51.456 1.677 -9.095 1.00 0.00 H new ATOM 0 HB ILE A 556 50.640 -0.341 -6.957 1.00 0.00 H new ATOM 0 HG12 ILE A 556 52.816 1.768 -6.760 1.00 0.00 H new ATOM 0 HG13 ILE A 556 51.147 2.232 -6.494 1.00 0.00 H new ATOM 0 HG21 ILE A 556 53.017 -1.025 -6.984 1.00 0.00 H new ATOM 0 HG22 ILE A 556 52.245 -1.329 -8.558 1.00 0.00 H new ATOM 0 HG23 ILE A 556 53.320 0.074 -8.351 1.00 0.00 H new ATOM 0 HD11 ILE A 556 52.235 1.606 -4.353 1.00 0.00 H new ATOM 0 HD12 ILE A 556 50.922 0.469 -4.740 1.00 0.00 H new ATOM 0 HD13 ILE A 556 52.617 -0.002 -5.011 1.00 0.00 H new ATOM 249 N THR A 557 50.519 0.277 -10.990 1.00 0.00 N ATOM 250 CA THR A 557 50.197 -0.683 -12.086 1.00 0.00 C ATOM 251 C THR A 557 51.394 -1.605 -12.343 1.00 0.00 C ATOM 252 O THR A 557 52.211 -1.357 -13.209 1.00 0.00 O ATOM 253 CB THR A 557 49.858 0.097 -13.361 1.00 0.00 C ATOM 254 OG1 THR A 557 50.881 1.050 -13.618 1.00 0.00 O ATOM 255 CG2 THR A 557 48.520 0.819 -13.181 1.00 0.00 C ATOM 0 H THR A 557 50.808 1.205 -11.300 1.00 0.00 H new ATOM 0 HA THR A 557 49.341 -1.291 -11.793 1.00 0.00 H new ATOM 0 HB THR A 557 49.785 -0.594 -14.201 1.00 0.00 H new ATOM 0 HG1 THR A 557 51.753 0.603 -13.612 1.00 0.00 H new ATOM 0 HG21 THR A 557 48.281 1.373 -14.089 1.00 0.00 H new ATOM 0 HG22 THR A 557 47.736 0.088 -12.985 1.00 0.00 H new ATOM 0 HG23 THR A 557 48.590 1.511 -12.341 1.00 0.00 H new ATOM 263 N GLY A 558 51.496 -2.666 -11.589 1.00 0.00 N ATOM 264 CA GLY A 558 52.627 -3.623 -11.764 1.00 0.00 C ATOM 265 C GLY A 558 53.030 -4.151 -10.390 1.00 0.00 C ATOM 266 O GLY A 558 52.224 -4.204 -9.481 1.00 0.00 O ATOM 0 H GLY A 558 50.837 -2.913 -10.851 1.00 0.00 H new ATOM 0 HA2 GLY A 558 52.330 -4.446 -12.414 1.00 0.00 H new ATOM 0 HA3 GLY A 558 53.472 -3.128 -12.243 1.00 0.00 H new ATOM 270 N ARG A 559 54.270 -4.526 -10.220 1.00 0.00 N ATOM 271 CA ARG A 559 54.713 -5.028 -8.889 1.00 0.00 C ATOM 272 C ARG A 559 54.426 -3.950 -7.847 1.00 0.00 C ATOM 273 O ARG A 559 54.322 -2.783 -8.169 1.00 0.00 O ATOM 274 CB ARG A 559 56.216 -5.327 -8.929 1.00 0.00 C ATOM 275 CG ARG A 559 56.440 -6.808 -9.252 1.00 0.00 C ATOM 276 CD ARG A 559 56.779 -7.572 -7.967 1.00 0.00 C ATOM 277 NE ARG A 559 57.818 -8.617 -8.248 1.00 0.00 N ATOM 278 CZ ARG A 559 57.712 -9.430 -9.270 1.00 0.00 C ATOM 279 NH1 ARG A 559 58.678 -10.267 -9.531 1.00 0.00 N ATOM 280 NH2 ARG A 559 56.637 -9.438 -10.009 1.00 0.00 N ATOM 0 H ARG A 559 54.991 -4.506 -10.941 1.00 0.00 H new ATOM 0 HA ARG A 559 54.179 -5.943 -8.633 1.00 0.00 H new ATOM 0 HB2 ARG A 559 56.701 -4.704 -9.681 1.00 0.00 H new ATOM 0 HB3 ARG A 559 56.671 -5.081 -7.969 1.00 0.00 H new ATOM 0 HG2 ARG A 559 55.546 -7.229 -9.712 1.00 0.00 H new ATOM 0 HG3 ARG A 559 57.250 -6.914 -9.974 1.00 0.00 H new ATOM 0 HD2 ARG A 559 57.144 -6.880 -7.209 1.00 0.00 H new ATOM 0 HD3 ARG A 559 55.880 -8.040 -7.565 1.00 0.00 H new ATOM 0 HE ARG A 559 58.625 -8.696 -7.629 1.00 0.00 H new ATOM 0 HH11 ARG A 559 59.510 -10.286 -8.941 1.00 0.00 H new ATOM 0 HH12 ARG A 559 58.602 -10.903 -10.325 1.00 0.00 H new ATOM 0 HH21 ARG A 559 55.866 -8.806 -9.794 1.00 0.00 H new ATOM 0 HH22 ARG A 559 56.568 -10.076 -10.802 1.00 0.00 H new ATOM 294 N CYS A 560 54.282 -4.323 -6.605 1.00 0.00 N ATOM 295 CA CYS A 560 53.988 -3.301 -5.563 1.00 0.00 C ATOM 296 C CYS A 560 54.458 -3.790 -4.197 1.00 0.00 C ATOM 297 O CYS A 560 54.259 -4.930 -3.825 1.00 0.00 O ATOM 298 CB CYS A 560 52.481 -3.040 -5.524 1.00 0.00 C ATOM 299 SG CYS A 560 51.630 -4.484 -4.838 1.00 0.00 S ATOM 0 H CYS A 560 54.355 -5.283 -6.269 1.00 0.00 H new ATOM 0 HA CYS A 560 54.516 -2.379 -5.807 1.00 0.00 H new ATOM 0 HB2 CYS A 560 52.270 -2.159 -4.917 1.00 0.00 H new ATOM 0 HB3 CYS A 560 52.112 -2.831 -6.528 1.00 0.00 H new ATOM 0 HG CYS A 560 52.472 -5.198 -4.151 1.00 0.00 H new ATOM 305 N ILE A 561 55.079 -2.923 -3.447 1.00 0.00 N ATOM 306 CA ILE A 561 55.567 -3.308 -2.094 1.00 0.00 C ATOM 307 C ILE A 561 54.481 -2.999 -1.065 1.00 0.00 C ATOM 308 O ILE A 561 53.676 -2.108 -1.252 1.00 0.00 O ATOM 309 CB ILE A 561 56.828 -2.507 -1.752 1.00 0.00 C ATOM 310 CG1 ILE A 561 57.700 -2.344 -3.008 1.00 0.00 C ATOM 311 CG2 ILE A 561 57.618 -3.238 -0.663 1.00 0.00 C ATOM 312 CD1 ILE A 561 58.187 -3.713 -3.494 1.00 0.00 C ATOM 0 H ILE A 561 55.271 -1.958 -3.715 1.00 0.00 H new ATOM 0 HA ILE A 561 55.801 -4.373 -2.081 1.00 0.00 H new ATOM 0 HB ILE A 561 56.541 -1.520 -1.389 1.00 0.00 H new ATOM 0 HG12 ILE A 561 57.129 -1.852 -3.795 1.00 0.00 H new ATOM 0 HG13 ILE A 561 58.554 -1.704 -2.787 1.00 0.00 H new ATOM 0 HG21 ILE A 561 58.515 -2.668 -0.420 1.00 0.00 H new ATOM 0 HG22 ILE A 561 57.000 -3.340 0.229 1.00 0.00 H new ATOM 0 HG23 ILE A 561 57.903 -4.227 -1.022 1.00 0.00 H new ATOM 0 HD11 ILE A 561 58.803 -3.585 -4.384 1.00 0.00 H new ATOM 0 HD12 ILE A 561 58.776 -4.189 -2.710 1.00 0.00 H new ATOM 0 HD13 ILE A 561 57.329 -4.340 -3.734 1.00 0.00 H new ATOM 324 N THR A 562 54.457 -3.724 0.021 1.00 0.00 N ATOM 325 CA THR A 562 53.431 -3.470 1.073 1.00 0.00 C ATOM 326 C THR A 562 54.126 -3.361 2.428 1.00 0.00 C ATOM 327 O THR A 562 54.553 -4.346 3.000 1.00 0.00 O ATOM 328 CB THR A 562 52.423 -4.622 1.104 1.00 0.00 C ATOM 329 OG1 THR A 562 51.781 -4.721 -0.160 1.00 0.00 O ATOM 330 CG2 THR A 562 51.376 -4.360 2.190 1.00 0.00 C ATOM 0 H THR A 562 55.106 -4.484 0.225 1.00 0.00 H new ATOM 0 HA THR A 562 52.903 -2.542 0.853 1.00 0.00 H new ATOM 0 HB THR A 562 52.944 -5.554 1.323 1.00 0.00 H new ATOM 0 HG1 THR A 562 51.137 -5.459 -0.143 1.00 0.00 H new ATOM 0 HG21 THR A 562 50.660 -5.181 2.210 1.00 0.00 H new ATOM 0 HG22 THR A 562 51.868 -4.284 3.159 1.00 0.00 H new ATOM 0 HG23 THR A 562 50.854 -3.428 1.974 1.00 0.00 H new ATOM 338 N ALA A 563 54.243 -2.169 2.942 1.00 0.00 N ATOM 339 CA ALA A 563 54.911 -1.983 4.260 1.00 0.00 C ATOM 340 C ALA A 563 53.862 -2.080 5.370 1.00 0.00 C ATOM 341 O ALA A 563 53.085 -3.014 5.414 1.00 0.00 O ATOM 342 CB ALA A 563 55.589 -0.611 4.290 1.00 0.00 C ATOM 0 H ALA A 563 53.904 -1.312 2.504 1.00 0.00 H new ATOM 0 HA ALA A 563 55.665 -2.755 4.413 1.00 0.00 H new ATOM 0 HB1 ALA A 563 56.080 -0.469 5.253 1.00 0.00 H new ATOM 0 HB2 ALA A 563 56.330 -0.554 3.493 1.00 0.00 H new ATOM 0 HB3 ALA A 563 54.840 0.168 4.146 1.00 0.00 H new ATOM 348 N MET A 564 53.824 -1.121 6.258 1.00 0.00 N ATOM 349 CA MET A 564 52.813 -1.151 7.352 1.00 0.00 C ATOM 350 C MET A 564 51.450 -0.821 6.750 1.00 0.00 C ATOM 351 O MET A 564 50.833 0.174 7.081 1.00 0.00 O ATOM 352 CB MET A 564 53.169 -0.103 8.403 1.00 0.00 C ATOM 353 CG MET A 564 54.494 -0.471 9.073 1.00 0.00 C ATOM 354 SD MET A 564 54.871 0.743 10.362 1.00 0.00 S ATOM 355 CE MET A 564 55.961 -0.305 11.357 1.00 0.00 C ATOM 0 H MET A 564 54.452 -0.317 6.271 1.00 0.00 H new ATOM 0 HA MET A 564 52.793 -2.135 7.821 1.00 0.00 H new ATOM 0 HB2 MET A 564 53.247 0.880 7.938 1.00 0.00 H new ATOM 0 HB3 MET A 564 52.378 -0.041 9.150 1.00 0.00 H new ATOM 0 HG2 MET A 564 54.431 -1.470 9.505 1.00 0.00 H new ATOM 0 HG3 MET A 564 55.295 -0.494 8.334 1.00 0.00 H new ATOM 0 HE1 MET A 564 56.045 0.108 12.362 1.00 0.00 H new ATOM 0 HE2 MET A 564 55.547 -1.312 11.412 1.00 0.00 H new ATOM 0 HE3 MET A 564 56.948 -0.343 10.897 1.00 0.00 H new ATOM 365 N ALA A 565 51.005 -1.637 5.836 1.00 0.00 N ATOM 366 CA ALA A 565 49.702 -1.390 5.150 1.00 0.00 C ATOM 367 C ALA A 565 49.915 -0.301 4.097 1.00 0.00 C ATOM 368 O ALA A 565 49.072 -0.059 3.254 1.00 0.00 O ATOM 369 CB ALA A 565 48.636 -0.945 6.160 1.00 0.00 C ATOM 0 H ALA A 565 51.495 -2.478 5.530 1.00 0.00 H new ATOM 0 HA ALA A 565 49.354 -2.309 4.678 1.00 0.00 H new ATOM 0 HB1 ALA A 565 47.694 -0.770 5.641 1.00 0.00 H new ATOM 0 HB2 ALA A 565 48.498 -1.724 6.910 1.00 0.00 H new ATOM 0 HB3 ALA A 565 48.958 -0.025 6.647 1.00 0.00 H new ATOM 375 N LYS A 566 51.053 0.347 4.139 1.00 0.00 N ATOM 376 CA LYS A 566 51.359 1.415 3.149 1.00 0.00 C ATOM 377 C LYS A 566 52.036 0.784 1.933 1.00 0.00 C ATOM 378 O LYS A 566 52.953 -0.004 2.065 1.00 0.00 O ATOM 379 CB LYS A 566 52.307 2.436 3.783 1.00 0.00 C ATOM 380 CG LYS A 566 51.507 3.638 4.294 1.00 0.00 C ATOM 381 CD LYS A 566 52.470 4.720 4.792 1.00 0.00 C ATOM 382 CE LYS A 566 53.063 4.302 6.142 1.00 0.00 C ATOM 383 NZ LYS A 566 54.551 4.367 6.074 1.00 0.00 N ATOM 0 H LYS A 566 51.788 0.177 4.826 1.00 0.00 H new ATOM 0 HA LYS A 566 50.439 1.913 2.844 1.00 0.00 H new ATOM 0 HB2 LYS A 566 52.855 1.976 4.605 1.00 0.00 H new ATOM 0 HB3 LYS A 566 53.046 2.763 3.052 1.00 0.00 H new ATOM 0 HG2 LYS A 566 50.878 4.035 3.497 1.00 0.00 H new ATOM 0 HG3 LYS A 566 50.842 3.329 5.101 1.00 0.00 H new ATOM 0 HD2 LYS A 566 53.268 4.873 4.065 1.00 0.00 H new ATOM 0 HD3 LYS A 566 51.945 5.670 4.893 1.00 0.00 H new ATOM 0 HE2 LYS A 566 52.696 4.958 6.931 1.00 0.00 H new ATOM 0 HE3 LYS A 566 52.744 3.291 6.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 566 54.953 4.083 6.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 566 54.893 3.724 5.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 566 54.846 5.339 5.853 1.00 0.00 H new ATOM 397 N LYS A 567 51.592 1.116 0.752 1.00 0.00 N ATOM 398 CA LYS A 567 52.208 0.527 -0.467 1.00 0.00 C ATOM 399 C LYS A 567 53.286 1.463 -1.001 1.00 0.00 C ATOM 400 O LYS A 567 53.422 2.584 -0.561 1.00 0.00 O ATOM 401 CB LYS A 567 51.130 0.319 -1.532 1.00 0.00 C ATOM 402 CG LYS A 567 50.383 -0.985 -1.248 1.00 0.00 C ATOM 403 CD LYS A 567 49.824 -0.957 0.179 1.00 0.00 C ATOM 404 CE LYS A 567 48.701 -1.985 0.309 1.00 0.00 C ATOM 405 NZ LYS A 567 48.495 -2.318 1.747 1.00 0.00 N ATOM 0 H LYS A 567 50.829 1.770 0.580 1.00 0.00 H new ATOM 0 HA LYS A 567 52.660 -0.433 -0.218 1.00 0.00 H new ATOM 0 HB2 LYS A 567 50.434 1.158 -1.530 1.00 0.00 H new ATOM 0 HB3 LYS A 567 51.583 0.283 -2.523 1.00 0.00 H new ATOM 0 HG2 LYS A 567 49.572 -1.115 -1.965 1.00 0.00 H new ATOM 0 HG3 LYS A 567 51.055 -1.835 -1.370 1.00 0.00 H new ATOM 0 HD2 LYS A 567 50.616 -1.176 0.895 1.00 0.00 H new ATOM 0 HD3 LYS A 567 49.448 0.039 0.414 1.00 0.00 H new ATOM 0 HE2 LYS A 567 47.780 -1.589 -0.119 1.00 0.00 H new ATOM 0 HE3 LYS A 567 48.952 -2.886 -0.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 567 48.802 -3.296 1.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 567 49.052 -1.668 2.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 567 47.487 -2.224 1.984 1.00 0.00 H new ATOM 419 N PHE A 568 54.057 1.000 -1.943 1.00 0.00 N ATOM 420 CA PHE A 568 55.145 1.845 -2.518 1.00 0.00 C ATOM 421 C PHE A 568 55.504 1.310 -3.899 1.00 0.00 C ATOM 422 O PHE A 568 55.660 0.117 -4.078 1.00 0.00 O ATOM 423 CB PHE A 568 56.403 1.738 -1.645 1.00 0.00 C ATOM 424 CG PHE A 568 56.224 2.466 -0.332 1.00 0.00 C ATOM 425 CD1 PHE A 568 55.738 1.780 0.789 1.00 0.00 C ATOM 426 CD2 PHE A 568 56.565 3.820 -0.228 1.00 0.00 C ATOM 427 CE1 PHE A 568 55.592 2.447 2.011 1.00 0.00 C ATOM 428 CE2 PHE A 568 56.416 4.488 0.993 1.00 0.00 C ATOM 429 CZ PHE A 568 55.931 3.801 2.113 1.00 0.00 C ATOM 0 H PHE A 568 53.981 0.065 -2.344 1.00 0.00 H new ATOM 0 HA PHE A 568 54.803 2.879 -2.568 1.00 0.00 H new ATOM 0 HB2 PHE A 568 56.627 0.689 -1.454 1.00 0.00 H new ATOM 0 HB3 PHE A 568 57.256 2.154 -2.181 1.00 0.00 H new ATOM 0 HD1 PHE A 568 55.476 0.735 0.710 1.00 0.00 H new ATOM 0 HD2 PHE A 568 56.943 4.349 -1.090 1.00 0.00 H new ATOM 0 HE1 PHE A 568 55.218 1.917 2.875 1.00 0.00 H new ATOM 0 HE2 PHE A 568 56.675 5.534 1.071 1.00 0.00 H new ATOM 0 HZ PHE A 568 55.819 4.316 3.056 1.00 0.00 H new ATOM 439 N HIS A 569 55.683 2.167 -4.870 1.00 0.00 N ATOM 440 CA HIS A 569 56.087 1.659 -6.208 1.00 0.00 C ATOM 441 C HIS A 569 57.384 0.876 -6.000 1.00 0.00 C ATOM 442 O HIS A 569 58.266 1.334 -5.301 1.00 0.00 O ATOM 443 CB HIS A 569 56.357 2.824 -7.168 1.00 0.00 C ATOM 444 CG HIS A 569 55.071 3.321 -7.770 1.00 0.00 C ATOM 445 ND1 HIS A 569 54.590 4.593 -7.515 1.00 0.00 N ATOM 446 CD2 HIS A 569 54.167 2.742 -8.627 1.00 0.00 C ATOM 447 CE1 HIS A 569 53.444 4.743 -8.204 1.00 0.00 C ATOM 448 NE2 HIS A 569 53.141 3.643 -8.898 1.00 0.00 N ATOM 0 H HIS A 569 55.569 3.178 -4.795 1.00 0.00 H new ATOM 0 HA HIS A 569 55.298 1.041 -6.637 1.00 0.00 H new ATOM 0 HB2 HIS A 569 56.853 3.635 -6.634 1.00 0.00 H new ATOM 0 HB3 HIS A 569 57.035 2.502 -7.959 1.00 0.00 H new ATOM 0 HD2 HIS A 569 54.241 1.742 -9.029 1.00 0.00 H new ATOM 0 HE1 HIS A 569 52.844 5.641 -8.197 1.00 0.00 H new ATOM 0 HE2 HIS A 569 52.330 3.495 -9.499 1.00 0.00 H new ATOM 456 N PRO A 570 57.508 -0.291 -6.576 1.00 0.00 N ATOM 457 CA PRO A 570 58.744 -1.107 -6.405 1.00 0.00 C ATOM 458 C PRO A 570 60.020 -0.300 -6.670 1.00 0.00 C ATOM 459 O PRO A 570 61.118 -0.743 -6.392 1.00 0.00 O ATOM 460 CB PRO A 570 58.544 -2.206 -7.445 1.00 0.00 C ATOM 461 CG PRO A 570 57.058 -2.231 -7.818 1.00 0.00 C ATOM 462 CD PRO A 570 56.444 -0.883 -7.427 1.00 0.00 C ATOM 0 HA PRO A 570 58.878 -1.478 -5.389 1.00 0.00 H new ATOM 0 HB2 PRO A 570 59.156 -2.014 -8.326 1.00 0.00 H new ATOM 0 HB3 PRO A 570 58.854 -3.172 -7.045 1.00 0.00 H new ATOM 0 HG2 PRO A 570 56.937 -2.408 -8.887 1.00 0.00 H new ATOM 0 HG3 PRO A 570 56.550 -3.045 -7.301 1.00 0.00 H new ATOM 0 HD2 PRO A 570 56.229 -0.265 -8.299 1.00 0.00 H new ATOM 0 HD3 PRO A 570 55.507 -1.004 -6.883 1.00 0.00 H new ATOM 470 N GLU A 571 59.871 0.888 -7.194 1.00 0.00 N ATOM 471 CA GLU A 571 61.049 1.753 -7.474 1.00 0.00 C ATOM 472 C GLU A 571 61.047 2.948 -6.509 1.00 0.00 C ATOM 473 O GLU A 571 62.038 3.637 -6.363 1.00 0.00 O ATOM 474 CB GLU A 571 60.964 2.254 -8.916 1.00 0.00 C ATOM 475 CG GLU A 571 59.788 3.224 -9.047 1.00 0.00 C ATOM 476 CD GLU A 571 59.131 3.065 -10.420 1.00 0.00 C ATOM 477 OE1 GLU A 571 59.696 3.550 -11.386 1.00 0.00 O ATOM 478 OE2 GLU A 571 58.072 2.461 -10.480 1.00 0.00 O ATOM 0 H GLU A 571 58.971 1.299 -7.442 1.00 0.00 H new ATOM 0 HA GLU A 571 61.969 1.185 -7.337 1.00 0.00 H new ATOM 0 HB2 GLU A 571 61.893 2.751 -9.196 1.00 0.00 H new ATOM 0 HB3 GLU A 571 60.835 1.414 -9.598 1.00 0.00 H new ATOM 0 HG2 GLU A 571 59.058 3.032 -8.261 1.00 0.00 H new ATOM 0 HG3 GLU A 571 60.135 4.249 -8.917 1.00 0.00 H new ATOM 485 N HIS A 572 59.940 3.197 -5.845 1.00 0.00 N ATOM 486 CA HIS A 572 59.876 4.345 -4.887 1.00 0.00 C ATOM 487 C HIS A 572 60.025 3.821 -3.460 1.00 0.00 C ATOM 488 O HIS A 572 60.273 4.573 -2.537 1.00 0.00 O ATOM 489 CB HIS A 572 58.541 5.084 -5.045 1.00 0.00 C ATOM 490 CG HIS A 572 58.497 5.704 -6.417 1.00 0.00 C ATOM 491 ND1 HIS A 572 57.315 6.082 -7.046 1.00 0.00 N ATOM 492 CD2 HIS A 572 59.503 6.011 -7.303 1.00 0.00 C ATOM 493 CE1 HIS A 572 57.644 6.584 -8.251 1.00 0.00 C ATOM 494 NE2 HIS A 572 58.960 6.563 -8.455 1.00 0.00 N ATOM 0 H HIS A 572 59.080 2.654 -5.927 1.00 0.00 H new ATOM 0 HA HIS A 572 60.686 5.043 -5.099 1.00 0.00 H new ATOM 0 HB2 HIS A 572 57.708 4.393 -4.915 1.00 0.00 H new ATOM 0 HB3 HIS A 572 58.441 5.853 -4.279 1.00 0.00 H new ATOM 0 HD2 HIS A 572 60.556 5.847 -7.129 1.00 0.00 H new ATOM 0 HE1 HIS A 572 56.927 6.959 -8.966 1.00 0.00 H new ATOM 0 HE2 HIS A 572 59.462 6.884 -9.282 1.00 0.00 H new ATOM 502 N PHE A 573 59.905 2.533 -3.278 1.00 0.00 N ATOM 503 CA PHE A 573 60.073 1.953 -1.921 1.00 0.00 C ATOM 504 C PHE A 573 61.563 1.954 -1.602 1.00 0.00 C ATOM 505 O PHE A 573 62.270 1.009 -1.891 1.00 0.00 O ATOM 506 CB PHE A 573 59.544 0.518 -1.905 1.00 0.00 C ATOM 507 CG PHE A 573 59.649 -0.054 -0.508 1.00 0.00 C ATOM 508 CD1 PHE A 573 59.032 0.598 0.568 1.00 0.00 C ATOM 509 CD2 PHE A 573 60.364 -1.238 -0.289 1.00 0.00 C ATOM 510 CE1 PHE A 573 59.130 0.067 1.859 1.00 0.00 C ATOM 511 CE2 PHE A 573 60.461 -1.769 1.003 1.00 0.00 C ATOM 512 CZ PHE A 573 59.845 -1.117 2.076 1.00 0.00 C ATOM 0 H PHE A 573 59.697 1.859 -4.015 1.00 0.00 H new ATOM 0 HA PHE A 573 59.521 2.535 -1.183 1.00 0.00 H new ATOM 0 HB2 PHE A 573 58.506 0.500 -2.238 1.00 0.00 H new ATOM 0 HB3 PHE A 573 60.113 -0.096 -2.603 1.00 0.00 H new ATOM 0 HD1 PHE A 573 58.480 1.511 0.401 1.00 0.00 H new ATOM 0 HD2 PHE A 573 60.841 -1.742 -1.117 1.00 0.00 H new ATOM 0 HE1 PHE A 573 58.654 0.570 2.688 1.00 0.00 H new ATOM 0 HE2 PHE A 573 61.012 -2.683 1.171 1.00 0.00 H new ATOM 0 HZ PHE A 573 59.921 -1.527 3.072 1.00 0.00 H new ATOM 522 N VAL A 574 62.048 3.022 -1.041 1.00 0.00 N ATOM 523 CA VAL A 574 63.502 3.106 -0.731 1.00 0.00 C ATOM 524 C VAL A 574 63.734 2.994 0.777 1.00 0.00 C ATOM 525 O VAL A 574 62.809 2.990 1.566 1.00 0.00 O ATOM 526 CB VAL A 574 64.055 4.443 -1.236 1.00 0.00 C ATOM 527 CG1 VAL A 574 63.844 4.549 -2.750 1.00 0.00 C ATOM 528 CG2 VAL A 574 63.329 5.599 -0.537 1.00 0.00 C ATOM 0 H VAL A 574 61.501 3.843 -0.782 1.00 0.00 H new ATOM 0 HA VAL A 574 64.016 2.283 -1.227 1.00 0.00 H new ATOM 0 HB VAL A 574 65.121 4.497 -1.014 1.00 0.00 H new ATOM 0 HG11 VAL A 574 64.238 5.501 -3.107 1.00 0.00 H new ATOM 0 HG12 VAL A 574 64.365 3.731 -3.248 1.00 0.00 H new ATOM 0 HG13 VAL A 574 62.779 4.491 -2.974 1.00 0.00 H new ATOM 0 HG21 VAL A 574 63.724 6.548 -0.898 1.00 0.00 H new ATOM 0 HG22 VAL A 574 62.262 5.544 -0.755 1.00 0.00 H new ATOM 0 HG23 VAL A 574 63.483 5.528 0.540 1.00 0.00 H new ATOM 538 N CYS A 575 64.976 2.899 1.172 1.00 0.00 N ATOM 539 CA CYS A 575 65.311 2.780 2.619 1.00 0.00 C ATOM 540 C CYS A 575 65.197 4.147 3.292 1.00 0.00 C ATOM 541 O CYS A 575 65.729 5.128 2.810 1.00 0.00 O ATOM 542 CB CYS A 575 66.748 2.276 2.752 1.00 0.00 C ATOM 543 SG CYS A 575 67.304 2.446 4.468 1.00 0.00 S ATOM 0 H CYS A 575 65.781 2.899 0.545 1.00 0.00 H new ATOM 0 HA CYS A 575 64.621 2.085 3.097 1.00 0.00 H new ATOM 0 HB2 CYS A 575 66.807 1.232 2.443 1.00 0.00 H new ATOM 0 HB3 CYS A 575 67.404 2.842 2.090 1.00 0.00 H new ATOM 548 N ALA A 576 64.517 4.219 4.407 1.00 0.00 N ATOM 549 CA ALA A 576 64.381 5.525 5.121 1.00 0.00 C ATOM 550 C ALA A 576 65.725 5.907 5.762 1.00 0.00 C ATOM 551 O ALA A 576 65.777 6.439 6.855 1.00 0.00 O ATOM 552 CB ALA A 576 63.308 5.402 6.206 1.00 0.00 C ATOM 0 H ALA A 576 64.050 3.430 4.854 1.00 0.00 H new ATOM 0 HA ALA A 576 64.091 6.299 4.410 1.00 0.00 H new ATOM 0 HB1 ALA A 576 63.207 6.354 6.728 1.00 0.00 H new ATOM 0 HB2 ALA A 576 62.355 5.137 5.747 1.00 0.00 H new ATOM 0 HB3 ALA A 576 63.596 4.627 6.917 1.00 0.00 H new ATOM 558 N PHE A 577 66.810 5.645 5.078 1.00 0.00 N ATOM 559 CA PHE A 577 68.159 5.990 5.616 1.00 0.00 C ATOM 560 C PHE A 577 69.035 6.457 4.456 1.00 0.00 C ATOM 561 O PHE A 577 69.491 7.583 4.419 1.00 0.00 O ATOM 562 CB PHE A 577 68.790 4.751 6.258 1.00 0.00 C ATOM 563 CG PHE A 577 69.835 5.172 7.266 1.00 0.00 C ATOM 564 CD1 PHE A 577 71.195 5.017 6.971 1.00 0.00 C ATOM 565 CD2 PHE A 577 69.444 5.715 8.497 1.00 0.00 C ATOM 566 CE1 PHE A 577 72.163 5.404 7.905 1.00 0.00 C ATOM 567 CE2 PHE A 577 70.412 6.103 9.430 1.00 0.00 C ATOM 568 CZ PHE A 577 71.772 5.947 9.135 1.00 0.00 C ATOM 0 H PHE A 577 66.817 5.202 4.159 1.00 0.00 H new ATOM 0 HA PHE A 577 68.071 6.776 6.366 1.00 0.00 H new ATOM 0 HB2 PHE A 577 68.021 4.152 6.746 1.00 0.00 H new ATOM 0 HB3 PHE A 577 69.244 4.124 5.491 1.00 0.00 H new ATOM 0 HD1 PHE A 577 71.497 4.599 6.022 1.00 0.00 H new ATOM 0 HD2 PHE A 577 68.395 5.834 8.726 1.00 0.00 H new ATOM 0 HE1 PHE A 577 73.212 5.284 7.677 1.00 0.00 H new ATOM 0 HE2 PHE A 577 70.110 6.523 10.378 1.00 0.00 H new ATOM 0 HZ PHE A 577 72.519 6.245 9.856 1.00 0.00 H new ATOM 578 N CYS A 578 69.259 5.592 3.504 1.00 0.00 N ATOM 579 CA CYS A 578 70.092 5.963 2.324 1.00 0.00 C ATOM 580 C CYS A 578 69.167 6.362 1.172 1.00 0.00 C ATOM 581 O CYS A 578 69.571 7.032 0.242 1.00 0.00 O ATOM 582 CB CYS A 578 70.952 4.767 1.908 1.00 0.00 C ATOM 583 SG CYS A 578 69.975 3.248 2.027 1.00 0.00 S ATOM 0 H CYS A 578 68.898 4.638 3.493 1.00 0.00 H new ATOM 0 HA CYS A 578 70.745 6.798 2.577 1.00 0.00 H new ATOM 0 HB2 CYS A 578 71.311 4.902 0.888 1.00 0.00 H new ATOM 0 HB3 CYS A 578 71.831 4.697 2.549 1.00 0.00 H new ATOM 588 N LEU A 579 67.922 5.958 1.243 1.00 0.00 N ATOM 589 CA LEU A 579 66.935 6.305 0.175 1.00 0.00 C ATOM 590 C LEU A 579 67.456 5.872 -1.200 1.00 0.00 C ATOM 591 O LEU A 579 67.001 6.350 -2.222 1.00 0.00 O ATOM 592 CB LEU A 579 66.684 7.819 0.177 1.00 0.00 C ATOM 593 CG LEU A 579 66.138 8.251 1.544 1.00 0.00 C ATOM 594 CD1 LEU A 579 67.257 8.892 2.368 1.00 0.00 C ATOM 595 CD2 LEU A 579 65.007 9.265 1.345 1.00 0.00 C ATOM 0 H LEU A 579 67.544 5.396 2.005 1.00 0.00 H new ATOM 0 HA LEU A 579 66.002 5.779 0.377 1.00 0.00 H new ATOM 0 HB2 LEU A 579 67.610 8.351 -0.040 1.00 0.00 H new ATOM 0 HB3 LEU A 579 65.974 8.081 -0.608 1.00 0.00 H new ATOM 0 HG LEU A 579 65.756 7.377 2.072 1.00 0.00 H new ATOM 0 HD11 LEU A 579 66.865 9.197 3.338 1.00 0.00 H new ATOM 0 HD12 LEU A 579 68.061 8.171 2.512 1.00 0.00 H new ATOM 0 HD13 LEU A 579 67.642 9.765 1.841 1.00 0.00 H new ATOM 0 HD21 LEU A 579 64.619 9.572 2.316 1.00 0.00 H new ATOM 0 HD22 LEU A 579 65.389 10.137 0.815 1.00 0.00 H new ATOM 0 HD23 LEU A 579 64.207 8.808 0.762 1.00 0.00 H new ATOM 607 N LYS A 580 68.398 4.966 -1.237 1.00 0.00 N ATOM 608 CA LYS A 580 68.935 4.502 -2.551 1.00 0.00 C ATOM 609 C LYS A 580 67.877 3.639 -3.247 1.00 0.00 C ATOM 610 O LYS A 580 67.501 3.886 -4.376 1.00 0.00 O ATOM 611 CB LYS A 580 70.214 3.684 -2.323 1.00 0.00 C ATOM 612 CG LYS A 580 69.909 2.458 -1.451 1.00 0.00 C ATOM 613 CD LYS A 580 71.204 1.931 -0.824 1.00 0.00 C ATOM 614 CE LYS A 580 71.381 0.451 -1.171 1.00 0.00 C ATOM 615 NZ LYS A 580 71.642 0.311 -2.632 1.00 0.00 N ATOM 0 H LYS A 580 68.818 4.528 -0.417 1.00 0.00 H new ATOM 0 HA LYS A 580 69.172 5.361 -3.179 1.00 0.00 H new ATOM 0 HB2 LYS A 580 70.626 3.365 -3.280 1.00 0.00 H new ATOM 0 HB3 LYS A 580 70.970 4.304 -1.841 1.00 0.00 H new ATOM 0 HG2 LYS A 580 69.198 2.724 -0.669 1.00 0.00 H new ATOM 0 HG3 LYS A 580 69.443 1.679 -2.054 1.00 0.00 H new ATOM 0 HD2 LYS A 580 72.056 2.504 -1.190 1.00 0.00 H new ATOM 0 HD3 LYS A 580 71.174 2.060 0.258 1.00 0.00 H new ATOM 0 HE2 LYS A 580 72.209 0.029 -0.601 1.00 0.00 H new ATOM 0 HE3 LYS A 580 70.487 -0.108 -0.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 580 72.134 -0.587 -2.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 580 70.739 0.321 -3.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 580 72.235 1.102 -2.956 1.00 0.00 H new ATOM 629 N GLN A 581 67.393 2.633 -2.567 1.00 0.00 N ATOM 630 CA GLN A 581 66.355 1.738 -3.147 1.00 0.00 C ATOM 631 C GLN A 581 66.006 0.691 -2.096 1.00 0.00 C ATOM 632 O GLN A 581 66.759 0.469 -1.167 1.00 0.00 O ATOM 633 CB GLN A 581 66.893 1.043 -4.404 1.00 0.00 C ATOM 634 CG GLN A 581 65.860 1.139 -5.531 1.00 0.00 C ATOM 635 CD GLN A 581 65.343 -0.257 -5.879 1.00 0.00 C ATOM 636 OE1 GLN A 581 64.275 -0.704 -5.284 1.00 0.00 O flip ATOM 637 NE2 GLN A 581 65.917 -0.946 -6.698 1.00 0.00 N flip ATOM 0 H GLN A 581 67.680 2.392 -1.618 1.00 0.00 H new ATOM 0 HA GLN A 581 65.475 2.317 -3.426 1.00 0.00 H new ATOM 0 HB2 GLN A 581 67.829 1.507 -4.715 1.00 0.00 H new ATOM 0 HB3 GLN A 581 67.112 -0.002 -4.187 1.00 0.00 H new ATOM 0 HG2 GLN A 581 65.032 1.778 -5.224 1.00 0.00 H new ATOM 0 HG3 GLN A 581 66.309 1.600 -6.410 1.00 0.00 H new ATOM 0 HE21 GLN A 581 66.754 -0.595 -7.164 1.00 0.00 H new ATOM 0 HE22 GLN A 581 65.562 -1.876 -6.920 1.00 0.00 H new ATOM 646 N LEU A 582 64.877 0.049 -2.215 1.00 0.00 N ATOM 647 CA LEU A 582 64.514 -0.968 -1.192 1.00 0.00 C ATOM 648 C LEU A 582 63.459 -1.931 -1.738 1.00 0.00 C ATOM 649 O LEU A 582 62.735 -1.623 -2.666 1.00 0.00 O ATOM 650 CB LEU A 582 63.971 -0.252 0.048 1.00 0.00 C ATOM 651 CG LEU A 582 64.260 -1.086 1.291 1.00 0.00 C ATOM 652 CD1 LEU A 582 65.759 -1.061 1.593 1.00 0.00 C ATOM 653 CD2 LEU A 582 63.487 -0.507 2.478 1.00 0.00 C ATOM 0 H LEU A 582 64.199 0.182 -2.966 1.00 0.00 H new ATOM 0 HA LEU A 582 65.401 -1.546 -0.932 1.00 0.00 H new ATOM 0 HB2 LEU A 582 64.432 0.731 0.143 1.00 0.00 H new ATOM 0 HB3 LEU A 582 62.897 -0.093 -0.053 1.00 0.00 H new ATOM 0 HG LEU A 582 63.948 -2.116 1.118 1.00 0.00 H new ATOM 0 HD11 LEU A 582 65.961 -1.658 2.482 1.00 0.00 H new ATOM 0 HD12 LEU A 582 66.308 -1.474 0.746 1.00 0.00 H new ATOM 0 HD13 LEU A 582 66.078 -0.033 1.766 1.00 0.00 H new ATOM 0 HD21 LEU A 582 63.691 -1.101 3.369 1.00 0.00 H new ATOM 0 HD22 LEU A 582 63.800 0.523 2.649 1.00 0.00 H new ATOM 0 HD23 LEU A 582 62.419 -0.531 2.263 1.00 0.00 H new ATOM 665 N ASN A 583 63.375 -3.099 -1.157 1.00 0.00 N ATOM 666 CA ASN A 583 62.380 -4.108 -1.611 1.00 0.00 C ATOM 667 C ASN A 583 61.947 -4.954 -0.411 1.00 0.00 C ATOM 668 O ASN A 583 62.768 -5.480 0.317 1.00 0.00 O ATOM 669 CB ASN A 583 63.016 -5.010 -2.673 1.00 0.00 C ATOM 670 CG ASN A 583 64.255 -5.698 -2.093 1.00 0.00 C ATOM 671 OD1 ASN A 583 64.219 -6.868 -1.769 1.00 0.00 O ATOM 672 ND2 ASN A 583 65.357 -5.016 -1.945 1.00 0.00 N ATOM 0 H ASN A 583 63.962 -3.398 -0.378 1.00 0.00 H new ATOM 0 HA ASN A 583 61.513 -3.606 -2.039 1.00 0.00 H new ATOM 0 HB2 ASN A 583 62.296 -5.757 -3.007 1.00 0.00 H new ATOM 0 HB3 ASN A 583 63.292 -4.420 -3.547 1.00 0.00 H new ATOM 0 HD21 ASN A 583 66.187 -5.465 -1.558 1.00 0.00 H new ATOM 0 HD22 ASN A 583 65.389 -4.033 -2.217 1.00 0.00 H new ATOM 679 N LYS A 584 60.663 -5.089 -0.201 1.00 0.00 N ATOM 680 CA LYS A 584 60.162 -5.903 0.949 1.00 0.00 C ATOM 681 C LYS A 584 60.823 -7.286 0.923 1.00 0.00 C ATOM 682 O LYS A 584 60.973 -7.935 1.941 1.00 0.00 O ATOM 683 CB LYS A 584 58.637 -6.046 0.824 1.00 0.00 C ATOM 684 CG LYS A 584 58.132 -7.238 1.650 1.00 0.00 C ATOM 685 CD LYS A 584 58.327 -6.960 3.144 1.00 0.00 C ATOM 686 CE LYS A 584 57.433 -5.793 3.574 1.00 0.00 C ATOM 687 NZ LYS A 584 57.087 -5.936 5.017 1.00 0.00 N ATOM 0 H LYS A 584 59.936 -4.668 -0.779 1.00 0.00 H new ATOM 0 HA LYS A 584 60.408 -5.413 1.891 1.00 0.00 H new ATOM 0 HB2 LYS A 584 58.152 -5.131 1.164 1.00 0.00 H new ATOM 0 HB3 LYS A 584 58.364 -6.181 -0.223 1.00 0.00 H new ATOM 0 HG2 LYS A 584 57.078 -7.416 1.439 1.00 0.00 H new ATOM 0 HG3 LYS A 584 58.671 -8.142 1.366 1.00 0.00 H new ATOM 0 HD2 LYS A 584 58.083 -7.850 3.724 1.00 0.00 H new ATOM 0 HD3 LYS A 584 59.372 -6.724 3.346 1.00 0.00 H new ATOM 0 HE2 LYS A 584 57.946 -4.846 3.404 1.00 0.00 H new ATOM 0 HE3 LYS A 584 56.525 -5.776 2.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 584 56.146 -5.529 5.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 584 57.082 -6.944 5.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 584 57.792 -5.435 5.594 1.00 0.00 H new ATOM 701 N GLY A 585 61.210 -7.738 -0.239 1.00 0.00 N ATOM 702 CA GLY A 585 61.852 -9.079 -0.362 1.00 0.00 C ATOM 703 C GLY A 585 63.083 -9.183 0.543 1.00 0.00 C ATOM 704 O GLY A 585 63.407 -10.251 1.025 1.00 0.00 O ATOM 0 H GLY A 585 61.108 -7.230 -1.118 1.00 0.00 H new ATOM 0 HA2 GLY A 585 61.134 -9.855 -0.097 1.00 0.00 H new ATOM 0 HA3 GLY A 585 62.142 -9.254 -1.398 1.00 0.00 H new ATOM 708 N THR A 586 63.783 -8.099 0.770 1.00 0.00 N ATOM 709 CA THR A 586 65.001 -8.177 1.635 1.00 0.00 C ATOM 710 C THR A 586 65.189 -6.882 2.432 1.00 0.00 C ATOM 711 O THR A 586 66.303 -6.467 2.689 1.00 0.00 O ATOM 712 CB THR A 586 66.236 -8.406 0.753 1.00 0.00 C ATOM 713 OG1 THR A 586 66.379 -7.317 -0.149 1.00 0.00 O ATOM 714 CG2 THR A 586 66.078 -9.707 -0.037 1.00 0.00 C ATOM 0 H THR A 586 63.568 -7.174 0.399 1.00 0.00 H new ATOM 0 HA THR A 586 64.876 -9.004 2.334 1.00 0.00 H new ATOM 0 HB THR A 586 67.121 -8.478 1.385 1.00 0.00 H new ATOM 0 HG1 THR A 586 65.631 -7.317 -0.783 1.00 0.00 H new ATOM 0 HG21 THR A 586 66.958 -9.863 -0.661 1.00 0.00 H new ATOM 0 HG22 THR A 586 65.971 -10.542 0.655 1.00 0.00 H new ATOM 0 HG23 THR A 586 65.192 -9.644 -0.669 1.00 0.00 H new ATOM 722 N PHE A 587 64.124 -6.240 2.838 1.00 0.00 N ATOM 723 CA PHE A 587 64.285 -4.984 3.627 1.00 0.00 C ATOM 724 C PHE A 587 64.051 -5.268 5.110 1.00 0.00 C ATOM 725 O PHE A 587 63.711 -6.364 5.511 1.00 0.00 O ATOM 726 CB PHE A 587 63.284 -3.912 3.151 1.00 0.00 C ATOM 727 CG PHE A 587 62.075 -3.868 4.067 1.00 0.00 C ATOM 728 CD1 PHE A 587 61.722 -2.670 4.702 1.00 0.00 C ATOM 729 CD2 PHE A 587 61.314 -5.024 4.284 1.00 0.00 C ATOM 730 CE1 PHE A 587 60.611 -2.628 5.552 1.00 0.00 C ATOM 731 CE2 PHE A 587 60.203 -4.980 5.135 1.00 0.00 C ATOM 732 CZ PHE A 587 59.851 -3.783 5.769 1.00 0.00 C ATOM 0 H PHE A 587 63.162 -6.527 2.660 1.00 0.00 H new ATOM 0 HA PHE A 587 65.299 -4.613 3.479 1.00 0.00 H new ATOM 0 HB2 PHE A 587 63.769 -2.936 3.133 1.00 0.00 H new ATOM 0 HB3 PHE A 587 62.967 -4.130 2.131 1.00 0.00 H new ATOM 0 HD1 PHE A 587 62.308 -1.778 4.535 1.00 0.00 H new ATOM 0 HD2 PHE A 587 61.584 -5.948 3.795 1.00 0.00 H new ATOM 0 HE1 PHE A 587 60.340 -1.704 6.041 1.00 0.00 H new ATOM 0 HE2 PHE A 587 59.617 -5.871 5.302 1.00 0.00 H new ATOM 0 HZ PHE A 587 58.994 -3.751 6.425 1.00 0.00 H new ATOM 742 N LYS A 588 64.210 -4.258 5.908 1.00 0.00 N ATOM 743 CA LYS A 588 63.987 -4.377 7.371 1.00 0.00 C ATOM 744 C LYS A 588 63.325 -3.078 7.832 1.00 0.00 C ATOM 745 O LYS A 588 63.282 -2.114 7.095 1.00 0.00 O ATOM 746 CB LYS A 588 65.331 -4.553 8.085 1.00 0.00 C ATOM 747 CG LYS A 588 65.866 -5.978 7.882 1.00 0.00 C ATOM 748 CD LYS A 588 64.919 -7.008 8.510 1.00 0.00 C ATOM 749 CE LYS A 588 64.566 -6.595 9.942 1.00 0.00 C ATOM 750 NZ LYS A 588 63.899 -7.733 10.635 1.00 0.00 N ATOM 0 H LYS A 588 64.493 -3.328 5.600 1.00 0.00 H new ATOM 0 HA LYS A 588 63.359 -5.238 7.601 1.00 0.00 H new ATOM 0 HB2 LYS A 588 66.051 -3.830 7.701 1.00 0.00 H new ATOM 0 HB3 LYS A 588 65.213 -4.351 9.150 1.00 0.00 H new ATOM 0 HG2 LYS A 588 65.978 -6.181 6.817 1.00 0.00 H new ATOM 0 HG3 LYS A 588 66.856 -6.067 8.329 1.00 0.00 H new ATOM 0 HD2 LYS A 588 64.011 -7.090 7.913 1.00 0.00 H new ATOM 0 HD3 LYS A 588 65.389 -7.991 8.512 1.00 0.00 H new ATOM 0 HE2 LYS A 588 65.468 -6.305 10.481 1.00 0.00 H new ATOM 0 HE3 LYS A 588 63.908 -5.726 9.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 588 63.659 -7.454 11.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 588 63.031 -7.990 10.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 588 64.542 -8.550 10.658 1.00 0.00 H new ATOM 764 N GLU A 589 62.806 -3.030 9.026 1.00 0.00 N ATOM 765 CA GLU A 589 62.155 -1.773 9.486 1.00 0.00 C ATOM 766 C GLU A 589 62.529 -1.482 10.938 1.00 0.00 C ATOM 767 O GLU A 589 62.770 -2.374 11.728 1.00 0.00 O ATOM 768 CB GLU A 589 60.631 -1.900 9.354 1.00 0.00 C ATOM 769 CG GLU A 589 60.046 -2.550 10.613 1.00 0.00 C ATOM 770 CD GLU A 589 58.719 -3.232 10.269 1.00 0.00 C ATOM 771 OE1 GLU A 589 58.751 -4.225 9.559 1.00 0.00 O ATOM 772 OE2 GLU A 589 57.693 -2.751 10.720 1.00 0.00 O ATOM 0 H GLU A 589 62.804 -3.798 9.697 1.00 0.00 H new ATOM 0 HA GLU A 589 62.503 -0.948 8.864 1.00 0.00 H new ATOM 0 HB2 GLU A 589 60.188 -0.916 9.204 1.00 0.00 H new ATOM 0 HB3 GLU A 589 60.383 -2.498 8.477 1.00 0.00 H new ATOM 0 HG2 GLU A 589 60.748 -3.280 11.017 1.00 0.00 H new ATOM 0 HG3 GLU A 589 59.890 -1.796 11.385 1.00 0.00 H new ATOM 779 N GLN A 590 62.569 -0.229 11.282 1.00 0.00 N ATOM 780 CA GLN A 590 62.910 0.174 12.670 1.00 0.00 C ATOM 781 C GLN A 590 62.278 1.537 12.932 1.00 0.00 C ATOM 782 O GLN A 590 62.118 2.330 12.031 1.00 0.00 O ATOM 783 CB GLN A 590 64.430 0.275 12.815 1.00 0.00 C ATOM 784 CG GLN A 590 64.804 0.400 14.294 1.00 0.00 C ATOM 785 CD GLN A 590 64.621 -0.950 14.990 1.00 0.00 C ATOM 786 OE1 GLN A 590 64.953 -2.043 14.362 1.00 0.00 O flip ATOM 787 NE2 GLN A 590 64.172 -1.011 16.117 1.00 0.00 N flip ATOM 0 H GLN A 590 62.376 0.547 10.648 1.00 0.00 H new ATOM 0 HA GLN A 590 62.537 -0.561 13.383 1.00 0.00 H new ATOM 0 HB2 GLN A 590 64.905 -0.606 12.384 1.00 0.00 H new ATOM 0 HB3 GLN A 590 64.800 1.139 12.263 1.00 0.00 H new ATOM 0 HG2 GLN A 590 65.838 0.732 14.390 1.00 0.00 H new ATOM 0 HG3 GLN A 590 64.181 1.154 14.774 1.00 0.00 H new ATOM 0 HE21 GLN A 590 63.912 -0.156 16.609 1.00 0.00 H new ATOM 0 HE22 GLN A 590 64.055 -1.917 16.571 1.00 0.00 H new ATOM 796 N ASN A 591 61.916 1.817 14.152 1.00 0.00 N ATOM 797 CA ASN A 591 61.297 3.139 14.465 1.00 0.00 C ATOM 798 C ASN A 591 60.087 3.397 13.552 1.00 0.00 C ATOM 799 O ASN A 591 59.655 4.523 13.399 1.00 0.00 O ATOM 800 CB ASN A 591 62.337 4.246 14.261 1.00 0.00 C ATOM 801 CG ASN A 591 63.315 4.255 15.438 1.00 0.00 C ATOM 802 OD1 ASN A 591 62.927 4.482 16.566 1.00 0.00 O ATOM 803 ND2 ASN A 591 64.578 4.016 15.219 1.00 0.00 N ATOM 0 H ASN A 591 62.021 1.188 14.948 1.00 0.00 H new ATOM 0 HA ASN A 591 60.958 3.134 15.501 1.00 0.00 H new ATOM 0 HB2 ASN A 591 62.877 4.084 13.328 1.00 0.00 H new ATOM 0 HB3 ASN A 591 61.842 5.214 14.179 1.00 0.00 H new ATOM 0 HD21 ASN A 591 65.240 4.020 15.995 1.00 0.00 H new ATOM 0 HD22 ASN A 591 64.904 3.825 14.272 1.00 0.00 H new ATOM 810 N ASP A 592 59.534 2.364 12.952 1.00 0.00 N ATOM 811 CA ASP A 592 58.342 2.541 12.058 1.00 0.00 C ATOM 812 C ASP A 592 58.770 3.054 10.676 1.00 0.00 C ATOM 813 O ASP A 592 58.047 3.786 10.028 1.00 0.00 O ATOM 814 CB ASP A 592 57.362 3.540 12.688 1.00 0.00 C ATOM 815 CG ASP A 592 55.929 3.188 12.281 1.00 0.00 C ATOM 816 OD1 ASP A 592 55.497 3.655 11.240 1.00 0.00 O ATOM 817 OD2 ASP A 592 55.286 2.460 13.020 1.00 0.00 O ATOM 0 H ASP A 592 59.860 1.402 13.045 1.00 0.00 H new ATOM 0 HA ASP A 592 57.856 1.572 11.940 1.00 0.00 H new ATOM 0 HB2 ASP A 592 57.457 3.521 13.774 1.00 0.00 H new ATOM 0 HB3 ASP A 592 57.603 4.553 12.365 1.00 0.00 H new ATOM 822 N LYS A 593 59.928 2.668 10.210 1.00 0.00 N ATOM 823 CA LYS A 593 60.381 3.127 8.861 1.00 0.00 C ATOM 824 C LYS A 593 61.220 2.020 8.211 1.00 0.00 C ATOM 825 O LYS A 593 61.804 1.202 8.893 1.00 0.00 O ATOM 826 CB LYS A 593 61.209 4.420 8.975 1.00 0.00 C ATOM 827 CG LYS A 593 61.588 4.699 10.434 1.00 0.00 C ATOM 828 CD LYS A 593 62.097 6.138 10.567 1.00 0.00 C ATOM 829 CE LYS A 593 60.932 7.066 10.921 1.00 0.00 C ATOM 830 NZ LYS A 593 61.412 8.477 10.945 1.00 0.00 N ATOM 0 H LYS A 593 60.579 2.057 10.702 1.00 0.00 H new ATOM 0 HA LYS A 593 59.508 3.338 8.244 1.00 0.00 H new ATOM 0 HB2 LYS A 593 62.112 4.333 8.371 1.00 0.00 H new ATOM 0 HB3 LYS A 593 60.638 5.259 8.576 1.00 0.00 H new ATOM 0 HG2 LYS A 593 60.723 4.547 11.080 1.00 0.00 H new ATOM 0 HG3 LYS A 593 62.357 3.999 10.761 1.00 0.00 H new ATOM 0 HD2 LYS A 593 62.865 6.192 11.338 1.00 0.00 H new ATOM 0 HD3 LYS A 593 62.559 6.458 9.633 1.00 0.00 H new ATOM 0 HE2 LYS A 593 60.130 6.956 10.191 1.00 0.00 H new ATOM 0 HE3 LYS A 593 60.519 6.794 11.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 593 60.621 9.109 11.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 593 62.163 8.576 11.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 593 61.787 8.732 10.009 1.00 0.00 H new ATOM 844 N PRO A 594 61.265 1.985 6.899 1.00 0.00 N ATOM 845 CA PRO A 594 62.034 0.938 6.162 1.00 0.00 C ATOM 846 C PRO A 594 63.544 1.098 6.292 1.00 0.00 C ATOM 847 O PRO A 594 64.054 2.173 6.535 1.00 0.00 O ATOM 848 CB PRO A 594 61.608 1.188 4.721 1.00 0.00 C ATOM 849 CG PRO A 594 61.069 2.614 4.649 1.00 0.00 C ATOM 850 CD PRO A 594 60.562 2.984 6.046 1.00 0.00 C ATOM 0 HA PRO A 594 61.831 -0.064 6.541 1.00 0.00 H new ATOM 0 HB2 PRO A 594 62.452 1.061 4.043 1.00 0.00 H new ATOM 0 HB3 PRO A 594 60.844 0.472 4.416 1.00 0.00 H new ATOM 0 HG2 PRO A 594 61.850 3.304 4.329 1.00 0.00 H new ATOM 0 HG3 PRO A 594 60.264 2.683 3.918 1.00 0.00 H new ATOM 0 HD2 PRO A 594 60.821 4.008 6.317 1.00 0.00 H new ATOM 0 HD3 PRO A 594 59.478 2.898 6.124 1.00 0.00 H new ATOM 858 N TYR A 595 64.246 0.021 6.112 1.00 0.00 N ATOM 859 CA TYR A 595 65.730 0.039 6.200 1.00 0.00 C ATOM 860 C TYR A 595 66.255 -1.206 5.493 1.00 0.00 C ATOM 861 O TYR A 595 65.856 -2.308 5.812 1.00 0.00 O ATOM 862 CB TYR A 595 66.163 -0.007 7.671 1.00 0.00 C ATOM 863 CG TYR A 595 65.862 1.309 8.346 1.00 0.00 C ATOM 864 CD1 TYR A 595 66.521 2.473 7.937 1.00 0.00 C ATOM 865 CD2 TYR A 595 64.921 1.365 9.380 1.00 0.00 C ATOM 866 CE1 TYR A 595 66.240 3.694 8.564 1.00 0.00 C ATOM 867 CE2 TYR A 595 64.642 2.585 10.005 1.00 0.00 C ATOM 868 CZ TYR A 595 65.300 3.749 9.597 1.00 0.00 C ATOM 869 OH TYR A 595 65.023 4.951 10.214 1.00 0.00 O ATOM 0 H TYR A 595 63.846 -0.893 5.903 1.00 0.00 H new ATOM 0 HA TYR A 595 66.122 0.946 5.739 1.00 0.00 H new ATOM 0 HB2 TYR A 595 65.643 -0.815 8.185 1.00 0.00 H new ATOM 0 HB3 TYR A 595 67.230 -0.222 7.737 1.00 0.00 H new ATOM 0 HD1 TYR A 595 67.246 2.431 7.138 1.00 0.00 H new ATOM 0 HD2 TYR A 595 64.410 0.467 9.695 1.00 0.00 H new ATOM 0 HE1 TYR A 595 66.750 4.593 8.249 1.00 0.00 H new ATOM 0 HE2 TYR A 595 63.917 2.628 10.804 1.00 0.00 H new ATOM 0 HH TYR A 595 65.153 5.684 9.576 1.00 0.00 H new ATOM 879 N CYS A 596 67.141 -1.061 4.542 1.00 0.00 N ATOM 880 CA CYS A 596 67.665 -2.271 3.849 1.00 0.00 C ATOM 881 C CYS A 596 68.162 -3.248 4.905 1.00 0.00 C ATOM 882 O CYS A 596 68.676 -2.852 5.932 1.00 0.00 O ATOM 883 CB CYS A 596 68.825 -1.906 2.916 1.00 0.00 C ATOM 884 SG CYS A 596 68.591 -0.236 2.260 1.00 0.00 S ATOM 0 H CYS A 596 67.519 -0.170 4.220 1.00 0.00 H new ATOM 0 HA CYS A 596 66.870 -2.715 3.251 1.00 0.00 H new ATOM 0 HB2 CYS A 596 69.769 -1.964 3.457 1.00 0.00 H new ATOM 0 HB3 CYS A 596 68.883 -2.623 2.097 1.00 0.00 H new ATOM 889 N GLN A 597 68.014 -4.515 4.665 1.00 0.00 N ATOM 890 CA GLN A 597 68.485 -5.515 5.657 1.00 0.00 C ATOM 891 C GLN A 597 69.934 -5.184 6.016 1.00 0.00 C ATOM 892 O GLN A 597 70.344 -5.297 7.152 1.00 0.00 O ATOM 893 CB GLN A 597 68.370 -6.907 5.027 1.00 0.00 C ATOM 894 CG GLN A 597 69.540 -7.804 5.451 1.00 0.00 C ATOM 895 CD GLN A 597 69.544 -7.997 6.973 1.00 0.00 C ATOM 896 OE1 GLN A 597 68.494 -7.659 7.673 1.00 0.00 O flip ATOM 897 NE2 GLN A 597 70.516 -8.462 7.532 1.00 0.00 N flip ATOM 0 H GLN A 597 67.587 -4.903 3.824 1.00 0.00 H new ATOM 0 HA GLN A 597 67.886 -5.495 6.567 1.00 0.00 H new ATOM 0 HB2 GLN A 597 67.428 -7.368 5.325 1.00 0.00 H new ATOM 0 HB3 GLN A 597 68.351 -6.817 3.941 1.00 0.00 H new ATOM 0 HG2 GLN A 597 69.462 -8.772 4.956 1.00 0.00 H new ATOM 0 HG3 GLN A 597 70.482 -7.358 5.132 1.00 0.00 H new ATOM 0 HE21 GLN A 597 71.338 -8.727 6.989 1.00 0.00 H new ATOM 0 HE22 GLN A 597 70.511 -8.587 8.544 1.00 0.00 H new ATOM 906 N ASN A 598 70.696 -4.737 5.053 1.00 0.00 N ATOM 907 CA ASN A 598 72.106 -4.355 5.327 1.00 0.00 C ATOM 908 C ASN A 598 72.098 -3.119 6.226 1.00 0.00 C ATOM 909 O ASN A 598 72.888 -3.000 7.140 1.00 0.00 O ATOM 910 CB ASN A 598 72.819 -4.036 4.009 1.00 0.00 C ATOM 911 CG ASN A 598 74.268 -3.632 4.292 1.00 0.00 C ATOM 912 OD1 ASN A 598 74.608 -2.467 4.236 1.00 0.00 O ATOM 913 ND2 ASN A 598 75.141 -4.552 4.598 1.00 0.00 N ATOM 0 H ASN A 598 70.398 -4.621 4.085 1.00 0.00 H new ATOM 0 HA ASN A 598 72.632 -5.173 5.819 1.00 0.00 H new ATOM 0 HB2 ASN A 598 72.795 -4.905 3.352 1.00 0.00 H new ATOM 0 HB3 ASN A 598 72.301 -3.230 3.490 1.00 0.00 H new ATOM 0 HD21 ASN A 598 76.109 -4.293 4.790 1.00 0.00 H new ATOM 0 HD22 ASN A 598 74.856 -5.530 4.645 1.00 0.00 H new ATOM 920 N CYS A 599 71.182 -2.213 5.986 1.00 0.00 N ATOM 921 CA CYS A 599 71.088 -0.995 6.839 1.00 0.00 C ATOM 922 C CYS A 599 70.649 -1.435 8.232 1.00 0.00 C ATOM 923 O CYS A 599 71.360 -1.255 9.191 1.00 0.00 O ATOM 924 CB CYS A 599 70.055 -0.024 6.257 1.00 0.00 C ATOM 925 SG CYS A 599 70.822 0.984 4.963 1.00 0.00 S ATOM 0 H CYS A 599 70.495 -2.268 5.234 1.00 0.00 H new ATOM 0 HA CYS A 599 72.052 -0.488 6.881 1.00 0.00 H new ATOM 0 HB2 CYS A 599 69.212 -0.579 5.846 1.00 0.00 H new ATOM 0 HB3 CYS A 599 69.661 0.618 7.045 1.00 0.00 H new ATOM 930 N PHE A 600 69.493 -2.044 8.340 1.00 0.00 N ATOM 931 CA PHE A 600 69.012 -2.537 9.668 1.00 0.00 C ATOM 932 C PHE A 600 70.148 -3.319 10.324 1.00 0.00 C ATOM 933 O PHE A 600 70.468 -3.131 11.480 1.00 0.00 O ATOM 934 CB PHE A 600 67.806 -3.454 9.438 1.00 0.00 C ATOM 935 CG PHE A 600 67.476 -4.233 10.692 1.00 0.00 C ATOM 936 CD1 PHE A 600 66.478 -3.773 11.562 1.00 0.00 C ATOM 937 CD2 PHE A 600 68.156 -5.424 10.977 1.00 0.00 C ATOM 938 CE1 PHE A 600 66.163 -4.504 12.713 1.00 0.00 C ATOM 939 CE2 PHE A 600 67.842 -6.152 12.130 1.00 0.00 C ATOM 940 CZ PHE A 600 66.845 -5.692 12.998 1.00 0.00 C ATOM 0 H PHE A 600 68.859 -2.221 7.561 1.00 0.00 H new ATOM 0 HA PHE A 600 68.717 -1.709 10.313 1.00 0.00 H new ATOM 0 HB2 PHE A 600 66.944 -2.859 9.137 1.00 0.00 H new ATOM 0 HB3 PHE A 600 68.019 -4.144 8.621 1.00 0.00 H new ATOM 0 HD1 PHE A 600 65.952 -2.855 11.344 1.00 0.00 H new ATOM 0 HD2 PHE A 600 68.923 -5.781 10.306 1.00 0.00 H new ATOM 0 HE1 PHE A 600 65.392 -4.151 13.382 1.00 0.00 H new ATOM 0 HE2 PHE A 600 68.369 -7.069 12.350 1.00 0.00 H new ATOM 0 HZ PHE A 600 66.602 -6.254 13.888 1.00 0.00 H new ATOM 950 N LEU A 601 70.774 -4.172 9.565 1.00 0.00 N ATOM 951 CA LEU A 601 71.920 -4.961 10.085 1.00 0.00 C ATOM 952 C LEU A 601 73.005 -3.980 10.547 1.00 0.00 C ATOM 953 O LEU A 601 73.815 -4.276 11.400 1.00 0.00 O ATOM 954 CB LEU A 601 72.438 -5.838 8.944 1.00 0.00 C ATOM 955 CG LEU A 601 73.708 -6.579 9.362 1.00 0.00 C ATOM 956 CD1 LEU A 601 73.341 -7.744 10.283 1.00 0.00 C ATOM 957 CD2 LEU A 601 74.399 -7.113 8.107 1.00 0.00 C ATOM 0 H LEU A 601 70.535 -4.358 8.591 1.00 0.00 H new ATOM 0 HA LEU A 601 71.630 -5.592 10.925 1.00 0.00 H new ATOM 0 HB2 LEU A 601 71.671 -6.556 8.655 1.00 0.00 H new ATOM 0 HB3 LEU A 601 72.643 -5.221 8.069 1.00 0.00 H new ATOM 0 HG LEU A 601 74.377 -5.902 9.894 1.00 0.00 H new ATOM 0 HD11 LEU A 601 74.247 -8.272 10.581 1.00 0.00 H new ATOM 0 HD12 LEU A 601 72.836 -7.361 11.170 1.00 0.00 H new ATOM 0 HD13 LEU A 601 72.678 -8.430 9.756 1.00 0.00 H new ATOM 0 HD21 LEU A 601 75.308 -7.644 8.390 1.00 0.00 H new ATOM 0 HD22 LEU A 601 73.728 -7.794 7.584 1.00 0.00 H new ATOM 0 HD23 LEU A 601 74.655 -6.281 7.451 1.00 0.00 H new ATOM 969 N LYS A 602 73.000 -2.805 9.978 1.00 0.00 N ATOM 970 CA LYS A 602 73.994 -1.756 10.345 1.00 0.00 C ATOM 971 C LYS A 602 73.444 -0.894 11.489 1.00 0.00 C ATOM 972 O LYS A 602 74.172 -0.475 12.367 1.00 0.00 O ATOM 973 CB LYS A 602 74.233 -0.861 9.125 1.00 0.00 C ATOM 974 CG LYS A 602 75.723 -0.554 8.985 1.00 0.00 C ATOM 975 CD LYS A 602 76.458 -1.777 8.425 1.00 0.00 C ATOM 976 CE LYS A 602 76.167 -1.916 6.927 1.00 0.00 C ATOM 977 NZ LYS A 602 77.255 -2.703 6.280 1.00 0.00 N ATOM 0 H LYS A 602 72.334 -2.523 9.259 1.00 0.00 H new ATOM 0 HA LYS A 602 74.923 -2.229 10.663 1.00 0.00 H new ATOM 0 HB2 LYS A 602 73.869 -1.355 8.224 1.00 0.00 H new ATOM 0 HB3 LYS A 602 73.670 0.067 9.229 1.00 0.00 H new ATOM 0 HG2 LYS A 602 75.866 0.301 8.324 1.00 0.00 H new ATOM 0 HG3 LYS A 602 76.140 -0.281 9.955 1.00 0.00 H new ATOM 0 HD2 LYS A 602 77.531 -1.674 8.588 1.00 0.00 H new ATOM 0 HD3 LYS A 602 76.140 -2.677 8.952 1.00 0.00 H new ATOM 0 HE2 LYS A 602 75.207 -2.410 6.777 1.00 0.00 H new ATOM 0 HE3 LYS A 602 76.094 -0.931 6.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 602 77.151 -2.655 5.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 602 78.178 -2.309 6.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 602 77.197 -3.695 6.588 1.00 0.00 H new ATOM 991 N LEU A 603 72.167 -0.609 11.470 1.00 0.00 N ATOM 992 CA LEU A 603 71.566 0.240 12.539 1.00 0.00 C ATOM 993 C LEU A 603 71.215 -0.625 13.750 1.00 0.00 C ATOM 994 O LEU A 603 71.651 -0.372 14.857 1.00 0.00 O ATOM 995 CB LEU A 603 70.284 0.911 12.022 1.00 0.00 C ATOM 996 CG LEU A 603 70.424 1.299 10.545 1.00 0.00 C ATOM 997 CD1 LEU A 603 69.195 2.103 10.114 1.00 0.00 C ATOM 998 CD2 LEU A 603 71.682 2.148 10.335 1.00 0.00 C ATOM 0 H LEU A 603 71.513 -0.930 10.756 1.00 0.00 H new ATOM 0 HA LEU A 603 72.289 1.004 12.825 1.00 0.00 H new ATOM 0 HB2 LEU A 603 69.439 0.233 12.145 1.00 0.00 H new ATOM 0 HB3 LEU A 603 70.069 1.799 12.616 1.00 0.00 H new ATOM 0 HG LEU A 603 70.504 0.391 9.947 1.00 0.00 H new ATOM 0 HD11 LEU A 603 69.291 2.380 9.064 1.00 0.00 H new ATOM 0 HD12 LEU A 603 68.299 1.498 10.248 1.00 0.00 H new ATOM 0 HD13 LEU A 603 69.118 3.004 10.722 1.00 0.00 H new ATOM 0 HD21 LEU A 603 71.768 2.416 9.282 1.00 0.00 H new ATOM 0 HD22 LEU A 603 71.613 3.055 10.936 1.00 0.00 H new ATOM 0 HD23 LEU A 603 72.560 1.578 10.638 1.00 0.00 H new ATOM 1010 N PHE A 604 70.416 -1.635 13.545 1.00 0.00 N ATOM 1011 CA PHE A 604 70.008 -2.520 14.672 1.00 0.00 C ATOM 1012 C PHE A 604 71.178 -3.412 15.093 1.00 0.00 C ATOM 1013 O PHE A 604 71.192 -3.953 16.182 1.00 0.00 O ATOM 1014 CB PHE A 604 68.837 -3.397 14.226 1.00 0.00 C ATOM 1015 CG PHE A 604 68.053 -3.850 15.437 1.00 0.00 C ATOM 1016 CD1 PHE A 604 68.175 -5.167 15.898 1.00 0.00 C ATOM 1017 CD2 PHE A 604 67.205 -2.953 16.097 1.00 0.00 C ATOM 1018 CE1 PHE A 604 67.448 -5.586 17.019 1.00 0.00 C ATOM 1019 CE2 PHE A 604 66.478 -3.372 17.218 1.00 0.00 C ATOM 1020 CZ PHE A 604 66.600 -4.689 17.678 1.00 0.00 C ATOM 0 H PHE A 604 70.025 -1.887 12.637 1.00 0.00 H new ATOM 0 HA PHE A 604 69.709 -1.903 15.520 1.00 0.00 H new ATOM 0 HB2 PHE A 604 68.190 -2.840 13.549 1.00 0.00 H new ATOM 0 HB3 PHE A 604 69.206 -4.262 13.675 1.00 0.00 H new ATOM 0 HD1 PHE A 604 68.830 -5.859 15.389 1.00 0.00 H new ATOM 0 HD2 PHE A 604 67.111 -1.937 15.742 1.00 0.00 H new ATOM 0 HE1 PHE A 604 67.542 -6.601 17.375 1.00 0.00 H new ATOM 0 HE2 PHE A 604 65.824 -2.680 17.727 1.00 0.00 H new ATOM 0 HZ PHE A 604 66.039 -5.013 18.542 1.00 0.00 H new ATOM 1030 N CYS A 605 72.155 -3.577 14.240 1.00 0.00 N ATOM 1031 CA CYS A 605 73.319 -4.443 14.598 1.00 0.00 C ATOM 1032 C CYS A 605 74.609 -3.846 14.020 1.00 0.00 C ATOM 1033 O CYS A 605 74.639 -2.646 13.810 1.00 0.00 O ATOM 1034 CB CYS A 605 73.093 -5.851 14.035 1.00 0.00 C ATOM 1035 SG CYS A 605 74.010 -7.053 15.030 1.00 0.00 S ATOM 1036 OXT CYS A 605 75.547 -4.597 13.805 1.00 0.00 O ATOM 0 H CYS A 605 72.198 -3.152 13.314 1.00 0.00 H new ATOM 0 HA CYS A 605 73.413 -4.498 15.682 1.00 0.00 H new ATOM 0 HB2 CYS A 605 72.030 -6.091 14.044 1.00 0.00 H new ATOM 0 HB3 CYS A 605 73.422 -5.896 12.997 1.00 0.00 H new ATOM 0 HG CYS A 605 73.817 -8.247 14.554 1.00 0.00 H new TER 1042 CYS A 605 HETATM 1043 ZN ZN A 701 55.453 5.946 -6.324 1.00 0.00 ZN HETATM 1044 ZN ZN A 702 69.202 1.625 3.460 1.00 0.00 ZN