USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=20 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 583 ASN : amide:sc= 0.179 K(o=1.4,f=0.73) USER MOD Set 1.2: A 586 THR OG1 : rot -67:sc= 1.23 USER MOD Single : A 541 TYR OH : rot 180:sc= 0 USER MOD Single : A 542 HIS : no HD1:sc= -1.15 K(o=-1.1,f=-2!) USER MOD Single : A 547 SER OG : rot 50:sc= 0.0671 USER MOD Single : A 550 SER OG : rot -60:sc= -0.271 USER MOD Single : A 553 GLN : amide:sc= -3.04! C(o=-3!,f=-9.8!) USER MOD Single : A 554 LYS NZ :NH3+ 153:sc= -0.128 (180deg=-0.58) USER MOD Single : A 557 THR OG1 : rot 51:sc= 0.491 USER MOD Single : A 560 CYS SG : rot 22:sc= 0.856 USER MOD Single : A 562 THR OG1 : rot 180:sc= 0 USER MOD Single : A 564 MET CE :methyl -158:sc= -0.275 (180deg=-1.17) USER MOD Single : A 566 LYS NZ :NH3+ -145:sc=-0.00673 (180deg=-0.331) USER MOD Single : A 567 LYS NZ :NH3+ -106:sc= 0.0653 (180deg=-1.89!) USER MOD Single : A 580 LYS NZ :NH3+ 155:sc= -0.0159 (180deg=-0.235) USER MOD Single : A 581 GLN :FLIP amide:sc= 0 F(o=-0.61,f=0) USER MOD Single : A 584 LYS NZ :NH3+ -150:sc= 0.27 (180deg=-0.23) USER MOD Single : A 588 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 590 GLN :FLIP amide:sc= -0.557 F(o=-2.7,f=-0.56) USER MOD Single : A 591 ASN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 593 LYS NZ :NH3+ -133:sc= 0.396 (180deg=-0.242) USER MOD Single : A 595 TYR OH : rot 180:sc= 0 USER MOD Single : A 597 GLN :FLIP amide:sc= -2.13 F(o=-5.5,f=-2.1) USER MOD Single : A 598 ASN :FLIP amide:sc= -1.71! C(o=-4.8!,f=-1.7!) USER MOD Single : A 602 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 605 CYS SG : rot 180:sc= -0.0144 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 541 35.394 -1.948 -17.036 1.00 0.00 N ATOM 2 CA TYR A 541 36.508 -0.962 -16.934 1.00 0.00 C ATOM 3 C TYR A 541 36.575 -0.416 -15.507 1.00 0.00 C ATOM 4 O TYR A 541 37.612 -0.442 -14.873 1.00 0.00 O ATOM 5 CB TYR A 541 36.262 0.191 -17.912 1.00 0.00 C ATOM 6 CG TYR A 541 36.211 -0.345 -19.324 1.00 0.00 C ATOM 7 CD1 TYR A 541 37.399 -0.591 -20.024 1.00 0.00 C ATOM 8 CD2 TYR A 541 34.975 -0.598 -19.934 1.00 0.00 C ATOM 9 CE1 TYR A 541 37.351 -1.088 -21.331 1.00 0.00 C ATOM 10 CE2 TYR A 541 34.928 -1.095 -21.241 1.00 0.00 C ATOM 11 CZ TYR A 541 36.116 -1.341 -21.940 1.00 0.00 C ATOM 12 OH TYR A 541 36.070 -1.831 -23.228 1.00 0.00 O ATOM 0 HA TYR A 541 37.450 -1.451 -17.181 1.00 0.00 H new ATOM 0 HB2 TYR A 541 35.326 0.694 -17.669 1.00 0.00 H new ATOM 0 HB3 TYR A 541 37.055 0.933 -17.822 1.00 0.00 H new ATOM 0 HD1 TYR A 541 38.352 -0.397 -19.555 1.00 0.00 H new ATOM 0 HD2 TYR A 541 34.058 -0.409 -19.395 1.00 0.00 H new ATOM 0 HE1 TYR A 541 38.267 -1.277 -21.871 1.00 0.00 H new ATOM 0 HE2 TYR A 541 33.975 -1.289 -21.711 1.00 0.00 H new ATOM 0 HH TYR A 541 35.136 -1.952 -23.499 1.00 0.00 H new ATOM 22 N HIS A 542 35.469 0.068 -14.999 1.00 0.00 N ATOM 23 CA HIS A 542 35.439 0.616 -13.611 1.00 0.00 C ATOM 24 C HIS A 542 36.586 1.616 -13.416 1.00 0.00 C ATOM 25 O HIS A 542 37.099 2.178 -14.366 1.00 0.00 O ATOM 26 CB HIS A 542 35.565 -0.531 -12.597 1.00 0.00 C ATOM 27 CG HIS A 542 35.278 -1.850 -13.264 1.00 0.00 C ATOM 28 ND1 HIS A 542 36.287 -2.723 -13.639 1.00 0.00 N ATOM 29 CD2 HIS A 542 34.102 -2.456 -13.634 1.00 0.00 C ATOM 30 CE1 HIS A 542 35.706 -3.796 -14.207 1.00 0.00 C ATOM 31 NE2 HIS A 542 34.375 -3.684 -14.229 1.00 0.00 N ATOM 0 H HIS A 542 34.577 0.106 -15.493 1.00 0.00 H new ATOM 0 HA HIS A 542 34.492 1.131 -13.452 1.00 0.00 H new ATOM 0 HB2 HIS A 542 36.569 -0.541 -12.172 1.00 0.00 H new ATOM 0 HB3 HIS A 542 34.871 -0.374 -11.772 1.00 0.00 H new ATOM 0 HD2 HIS A 542 33.115 -2.042 -13.486 1.00 0.00 H new ATOM 0 HE1 HIS A 542 36.249 -4.644 -14.597 1.00 0.00 H new ATOM 0 HE2 HIS A 542 33.703 -4.355 -14.602 1.00 0.00 H new ATOM 39 N GLU A 543 36.989 1.844 -12.193 1.00 0.00 N ATOM 40 CA GLU A 543 38.099 2.807 -11.934 1.00 0.00 C ATOM 41 C GLU A 543 39.440 2.071 -12.005 1.00 0.00 C ATOM 42 O GLU A 543 40.100 2.068 -13.025 1.00 0.00 O ATOM 43 CB GLU A 543 37.924 3.426 -10.543 1.00 0.00 C ATOM 44 CG GLU A 543 36.732 4.389 -10.554 1.00 0.00 C ATOM 45 CD GLU A 543 36.912 5.437 -9.454 1.00 0.00 C ATOM 46 OE1 GLU A 543 36.600 5.132 -8.315 1.00 0.00 O ATOM 47 OE2 GLU A 543 37.363 6.526 -9.767 1.00 0.00 O ATOM 0 H GLU A 543 36.596 1.404 -11.361 1.00 0.00 H new ATOM 0 HA GLU A 543 38.080 3.596 -12.686 1.00 0.00 H new ATOM 0 HB2 GLU A 543 37.764 2.642 -9.803 1.00 0.00 H new ATOM 0 HB3 GLU A 543 38.831 3.957 -10.254 1.00 0.00 H new ATOM 0 HG2 GLU A 543 36.654 4.876 -11.526 1.00 0.00 H new ATOM 0 HG3 GLU A 543 35.804 3.838 -10.398 1.00 0.00 H new ATOM 54 N ARG A 544 39.842 1.446 -10.926 1.00 0.00 N ATOM 55 CA ARG A 544 41.139 0.703 -10.912 1.00 0.00 C ATOM 56 C ARG A 544 42.292 1.671 -11.206 1.00 0.00 C ATOM 57 O ARG A 544 42.670 1.878 -12.343 1.00 0.00 O ATOM 58 CB ARG A 544 41.108 -0.412 -11.966 1.00 0.00 C ATOM 59 CG ARG A 544 42.068 -1.535 -11.556 1.00 0.00 C ATOM 60 CD ARG A 544 43.488 -1.206 -12.034 1.00 0.00 C ATOM 61 NE ARG A 544 44.125 -2.424 -12.634 1.00 0.00 N ATOM 62 CZ ARG A 544 44.075 -3.588 -12.036 1.00 0.00 C ATOM 63 NH1 ARG A 544 44.576 -4.637 -12.625 1.00 0.00 N ATOM 64 NH2 ARG A 544 43.557 -3.704 -10.844 1.00 0.00 N ATOM 0 H ARG A 544 39.323 1.419 -10.048 1.00 0.00 H new ATOM 0 HA ARG A 544 41.290 0.258 -9.928 1.00 0.00 H new ATOM 0 HB2 ARG A 544 40.096 -0.804 -12.066 1.00 0.00 H new ATOM 0 HB3 ARG A 544 41.393 -0.014 -12.940 1.00 0.00 H new ATOM 0 HG2 ARG A 544 42.058 -1.657 -10.473 1.00 0.00 H new ATOM 0 HG3 ARG A 544 41.740 -2.481 -11.986 1.00 0.00 H new ATOM 0 HD2 ARG A 544 43.455 -0.403 -12.770 1.00 0.00 H new ATOM 0 HD3 ARG A 544 44.088 -0.847 -11.198 1.00 0.00 H new ATOM 0 HE ARG A 544 44.608 -2.344 -13.529 1.00 0.00 H new ATOM 0 HH11 ARG A 544 45.004 -4.549 -13.547 1.00 0.00 H new ATOM 0 HH12 ARG A 544 44.540 -5.546 -12.164 1.00 0.00 H new ATOM 0 HH21 ARG A 544 43.185 -2.882 -10.367 1.00 0.00 H new ATOM 0 HH22 ARG A 544 43.524 -4.616 -10.389 1.00 0.00 H new ATOM 78 N ARG A 545 42.854 2.263 -10.184 1.00 0.00 N ATOM 79 CA ARG A 545 43.983 3.216 -10.394 1.00 0.00 C ATOM 80 C ARG A 545 45.302 2.447 -10.376 1.00 0.00 C ATOM 81 O ARG A 545 46.184 2.687 -11.178 1.00 0.00 O ATOM 82 CB ARG A 545 43.995 4.257 -9.274 1.00 0.00 C ATOM 83 CG ARG A 545 42.568 4.721 -8.989 1.00 0.00 C ATOM 84 CD ARG A 545 42.620 6.012 -8.174 1.00 0.00 C ATOM 85 NE ARG A 545 41.337 6.197 -7.417 1.00 0.00 N ATOM 86 CZ ARG A 545 40.171 6.114 -8.008 1.00 0.00 C ATOM 87 NH1 ARG A 545 39.083 6.172 -7.293 1.00 0.00 N ATOM 88 NH2 ARG A 545 40.087 6.020 -9.306 1.00 0.00 N ATOM 0 H ARG A 545 42.579 2.127 -9.211 1.00 0.00 H new ATOM 0 HA ARG A 545 43.858 3.717 -11.354 1.00 0.00 H new ATOM 0 HB2 ARG A 545 44.436 3.831 -8.373 1.00 0.00 H new ATOM 0 HB3 ARG A 545 44.614 5.107 -9.561 1.00 0.00 H new ATOM 0 HG2 ARG A 545 42.032 4.887 -9.924 1.00 0.00 H new ATOM 0 HG3 ARG A 545 42.024 3.951 -8.442 1.00 0.00 H new ATOM 0 HD2 ARG A 545 43.459 5.979 -7.479 1.00 0.00 H new ATOM 0 HD3 ARG A 545 42.787 6.862 -8.835 1.00 0.00 H new ATOM 0 HE ARG A 545 41.374 6.392 -6.417 1.00 0.00 H new ATOM 0 HH11 ARG A 545 39.143 6.281 -6.281 1.00 0.00 H new ATOM 0 HH12 ARG A 545 38.171 6.108 -7.746 1.00 0.00 H new ATOM 0 HH21 ARG A 545 40.935 6.010 -9.873 1.00 0.00 H new ATOM 0 HH22 ARG A 545 39.173 5.956 -9.755 1.00 0.00 H new ATOM 102 N GLY A 546 45.441 1.526 -9.458 1.00 0.00 N ATOM 103 CA GLY A 546 46.700 0.734 -9.369 1.00 0.00 C ATOM 104 C GLY A 546 47.222 0.772 -7.932 1.00 0.00 C ATOM 105 O GLY A 546 46.802 0.005 -7.087 1.00 0.00 O ATOM 0 H GLY A 546 44.732 1.289 -8.764 1.00 0.00 H new ATOM 0 HA2 GLY A 546 46.517 -0.296 -9.674 1.00 0.00 H new ATOM 0 HA3 GLY A 546 47.448 1.140 -10.050 1.00 0.00 H new ATOM 109 N SER A 547 48.135 1.663 -7.651 1.00 0.00 N ATOM 110 CA SER A 547 48.692 1.766 -6.271 1.00 0.00 C ATOM 111 C SER A 547 49.517 3.049 -6.160 1.00 0.00 C ATOM 112 O SER A 547 50.514 3.214 -6.834 1.00 0.00 O ATOM 113 CB SER A 547 49.586 0.556 -5.983 1.00 0.00 C ATOM 114 OG SER A 547 48.907 -0.329 -5.102 1.00 0.00 O ATOM 0 H SER A 547 48.521 2.327 -8.322 1.00 0.00 H new ATOM 0 HA SER A 547 47.876 1.788 -5.548 1.00 0.00 H new ATOM 0 HB2 SER A 547 49.834 0.043 -6.912 1.00 0.00 H new ATOM 0 HB3 SER A 547 50.526 0.881 -5.537 1.00 0.00 H new ATOM 0 HG SER A 547 48.003 -0.498 -5.441 1.00 0.00 H new ATOM 120 N LEU A 548 49.105 3.962 -5.322 1.00 0.00 N ATOM 121 CA LEU A 548 49.860 5.239 -5.175 1.00 0.00 C ATOM 122 C LEU A 548 51.165 4.986 -4.423 1.00 0.00 C ATOM 123 O LEU A 548 51.199 4.278 -3.437 1.00 0.00 O ATOM 124 CB LEU A 548 49.017 6.251 -4.393 1.00 0.00 C ATOM 125 CG LEU A 548 48.112 7.033 -5.353 1.00 0.00 C ATOM 126 CD1 LEU A 548 47.266 6.064 -6.181 1.00 0.00 C ATOM 127 CD2 LEU A 548 47.191 7.953 -4.547 1.00 0.00 C ATOM 0 H LEU A 548 48.277 3.878 -4.732 1.00 0.00 H new ATOM 0 HA LEU A 548 50.082 5.635 -6.166 1.00 0.00 H new ATOM 0 HB2 LEU A 548 48.411 5.734 -3.649 1.00 0.00 H new ATOM 0 HB3 LEU A 548 49.668 6.938 -3.853 1.00 0.00 H new ATOM 0 HG LEU A 548 48.732 7.628 -6.024 1.00 0.00 H new ATOM 0 HD11 LEU A 548 46.626 6.628 -6.860 1.00 0.00 H new ATOM 0 HD12 LEU A 548 47.921 5.411 -6.758 1.00 0.00 H new ATOM 0 HD13 LEU A 548 46.647 5.462 -5.516 1.00 0.00 H new ATOM 0 HD21 LEU A 548 46.547 8.510 -5.228 1.00 0.00 H new ATOM 0 HD22 LEU A 548 46.577 7.354 -3.874 1.00 0.00 H new ATOM 0 HD23 LEU A 548 47.793 8.651 -3.965 1.00 0.00 H new ATOM 139 N CYS A 549 52.235 5.581 -4.873 1.00 0.00 N ATOM 140 CA CYS A 549 53.538 5.404 -4.182 1.00 0.00 C ATOM 141 C CYS A 549 53.538 6.298 -2.957 1.00 0.00 C ATOM 142 O CYS A 549 53.584 7.507 -3.068 1.00 0.00 O ATOM 143 CB CYS A 549 54.679 5.811 -5.121 1.00 0.00 C ATOM 144 SG CYS A 549 56.034 6.577 -4.179 1.00 0.00 S ATOM 0 H CYS A 549 52.260 6.185 -5.694 1.00 0.00 H new ATOM 0 HA CYS A 549 53.680 4.363 -3.893 1.00 0.00 H new ATOM 0 HB2 CYS A 549 55.049 4.936 -5.655 1.00 0.00 H new ATOM 0 HB3 CYS A 549 54.309 6.510 -5.871 1.00 0.00 H new ATOM 149 N SER A 550 53.478 5.722 -1.791 1.00 0.00 N ATOM 150 CA SER A 550 53.473 6.559 -0.565 1.00 0.00 C ATOM 151 C SER A 550 54.638 7.539 -0.665 1.00 0.00 C ATOM 152 O SER A 550 55.791 7.157 -0.699 1.00 0.00 O ATOM 153 CB SER A 550 53.621 5.680 0.672 1.00 0.00 C ATOM 154 OG SER A 550 52.517 4.788 0.748 1.00 0.00 O ATOM 0 H SER A 550 53.433 4.715 -1.635 1.00 0.00 H new ATOM 0 HA SER A 550 52.532 7.102 -0.478 1.00 0.00 H new ATOM 0 HB2 SER A 550 54.554 5.119 0.624 1.00 0.00 H new ATOM 0 HB3 SER A 550 53.666 6.298 1.569 1.00 0.00 H new ATOM 0 HG SER A 550 51.685 5.302 0.810 1.00 0.00 H new ATOM 160 N GLY A 551 54.328 8.793 -0.769 1.00 0.00 N ATOM 161 CA GLY A 551 55.383 9.830 -0.934 1.00 0.00 C ATOM 162 C GLY A 551 55.095 10.565 -2.242 1.00 0.00 C ATOM 163 O GLY A 551 55.343 11.747 -2.378 1.00 0.00 O ATOM 0 H GLY A 551 53.374 9.154 -0.747 1.00 0.00 H new ATOM 0 HA2 GLY A 551 55.375 10.524 -0.093 1.00 0.00 H new ATOM 0 HA3 GLY A 551 56.372 9.372 -0.960 1.00 0.00 H new ATOM 167 N CYS A 552 54.549 9.856 -3.200 1.00 0.00 N ATOM 168 CA CYS A 552 54.204 10.472 -4.511 1.00 0.00 C ATOM 169 C CYS A 552 52.691 10.654 -4.588 1.00 0.00 C ATOM 170 O CYS A 552 52.197 11.541 -5.255 1.00 0.00 O ATOM 171 CB CYS A 552 54.636 9.539 -5.642 1.00 0.00 C ATOM 172 SG CYS A 552 56.327 9.929 -6.137 1.00 0.00 S ATOM 0 H CYS A 552 54.326 8.863 -3.124 1.00 0.00 H new ATOM 0 HA CYS A 552 54.711 11.432 -4.607 1.00 0.00 H new ATOM 0 HB2 CYS A 552 54.572 8.501 -5.315 1.00 0.00 H new ATOM 0 HB3 CYS A 552 53.963 9.647 -6.493 1.00 0.00 H new ATOM 177 N GLN A 553 51.954 9.803 -3.917 1.00 0.00 N ATOM 178 CA GLN A 553 50.467 9.895 -3.949 1.00 0.00 C ATOM 179 C GLN A 553 49.999 9.788 -5.403 1.00 0.00 C ATOM 180 O GLN A 553 48.983 10.334 -5.791 1.00 0.00 O ATOM 181 CB GLN A 553 50.017 11.222 -3.326 1.00 0.00 C ATOM 182 CG GLN A 553 50.025 11.101 -1.795 1.00 0.00 C ATOM 183 CD GLN A 553 51.329 10.451 -1.321 1.00 0.00 C ATOM 184 OE1 GLN A 553 51.468 9.243 -1.345 1.00 0.00 O ATOM 185 NE2 GLN A 553 52.291 11.206 -0.881 1.00 0.00 N ATOM 0 H GLN A 553 52.325 9.044 -3.345 1.00 0.00 H new ATOM 0 HA GLN A 553 50.026 9.083 -3.371 1.00 0.00 H new ATOM 0 HB2 GLN A 553 50.681 12.027 -3.641 1.00 0.00 H new ATOM 0 HB3 GLN A 553 49.017 11.479 -3.675 1.00 0.00 H new ATOM 0 HG2 GLN A 553 49.918 12.088 -1.345 1.00 0.00 H new ATOM 0 HG3 GLN A 553 49.173 10.506 -1.466 1.00 0.00 H new ATOM 0 HE21 GLN A 553 52.175 12.219 -0.860 1.00 0.00 H new ATOM 0 HE22 GLN A 553 53.162 10.785 -0.556 1.00 0.00 H new ATOM 194 N LYS A 554 50.743 9.066 -6.200 1.00 0.00 N ATOM 195 CA LYS A 554 50.382 8.875 -7.633 1.00 0.00 C ATOM 196 C LYS A 554 50.541 7.389 -7.963 1.00 0.00 C ATOM 197 O LYS A 554 51.460 6.749 -7.489 1.00 0.00 O ATOM 198 CB LYS A 554 51.325 9.699 -8.520 1.00 0.00 C ATOM 199 CG LYS A 554 51.052 11.194 -8.325 1.00 0.00 C ATOM 200 CD LYS A 554 49.667 11.543 -8.878 1.00 0.00 C ATOM 201 CE LYS A 554 49.605 13.036 -9.209 1.00 0.00 C ATOM 202 NZ LYS A 554 50.484 13.323 -10.379 1.00 0.00 N ATOM 0 H LYS A 554 51.600 8.593 -5.912 1.00 0.00 H new ATOM 0 HA LYS A 554 49.357 9.201 -7.812 1.00 0.00 H new ATOM 0 HB2 LYS A 554 52.362 9.474 -8.270 1.00 0.00 H new ATOM 0 HB3 LYS A 554 51.183 9.428 -9.566 1.00 0.00 H new ATOM 0 HG2 LYS A 554 51.106 11.448 -7.266 1.00 0.00 H new ATOM 0 HG3 LYS A 554 51.816 11.782 -8.833 1.00 0.00 H new ATOM 0 HD2 LYS A 554 49.463 10.954 -9.772 1.00 0.00 H new ATOM 0 HD3 LYS A 554 48.899 11.290 -8.147 1.00 0.00 H new ATOM 0 HE2 LYS A 554 48.579 13.328 -9.432 1.00 0.00 H new ATOM 0 HE3 LYS A 554 49.924 13.624 -8.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 554 50.127 14.159 -10.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 554 51.453 13.506 -10.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 554 50.485 12.505 -11.021 1.00 0.00 H new ATOM 216 N PRO A 555 49.653 6.836 -8.755 1.00 0.00 N ATOM 217 CA PRO A 555 49.723 5.395 -9.112 1.00 0.00 C ATOM 218 C PRO A 555 51.122 4.930 -9.507 1.00 0.00 C ATOM 219 O PRO A 555 51.943 5.694 -9.977 1.00 0.00 O ATOM 220 CB PRO A 555 48.766 5.302 -10.292 1.00 0.00 C ATOM 221 CG PRO A 555 47.890 6.560 -10.294 1.00 0.00 C ATOM 222 CD PRO A 555 48.524 7.597 -9.354 1.00 0.00 C ATOM 0 HA PRO A 555 49.467 4.754 -8.269 1.00 0.00 H new ATOM 0 HB2 PRO A 555 49.321 5.223 -11.227 1.00 0.00 H new ATOM 0 HB3 PRO A 555 48.148 4.408 -10.211 1.00 0.00 H new ATOM 0 HG2 PRO A 555 47.809 6.963 -11.303 1.00 0.00 H new ATOM 0 HG3 PRO A 555 46.879 6.318 -9.965 1.00 0.00 H new ATOM 0 HD2 PRO A 555 48.869 8.478 -9.895 1.00 0.00 H new ATOM 0 HD3 PRO A 555 47.820 7.943 -8.597 1.00 0.00 H new ATOM 230 N ILE A 556 51.384 3.673 -9.306 1.00 0.00 N ATOM 231 CA ILE A 556 52.713 3.107 -9.645 1.00 0.00 C ATOM 232 C ILE A 556 52.580 2.252 -10.908 1.00 0.00 C ATOM 233 O ILE A 556 52.203 1.097 -10.853 1.00 0.00 O ATOM 234 CB ILE A 556 53.184 2.253 -8.466 1.00 0.00 C ATOM 235 CG1 ILE A 556 53.470 3.168 -7.265 1.00 0.00 C ATOM 236 CG2 ILE A 556 54.455 1.491 -8.851 1.00 0.00 C ATOM 237 CD1 ILE A 556 53.373 2.370 -5.960 1.00 0.00 C ATOM 0 H ILE A 556 50.722 3.003 -8.915 1.00 0.00 H new ATOM 0 HA ILE A 556 53.439 3.898 -9.832 1.00 0.00 H new ATOM 0 HB ILE A 556 52.408 1.534 -8.203 1.00 0.00 H new ATOM 0 HG12 ILE A 556 54.464 3.606 -7.360 1.00 0.00 H new ATOM 0 HG13 ILE A 556 52.758 3.994 -7.249 1.00 0.00 H new ATOM 0 HG21 ILE A 556 54.785 0.885 -8.007 1.00 0.00 H new ATOM 0 HG22 ILE A 556 54.247 0.844 -9.703 1.00 0.00 H new ATOM 0 HG23 ILE A 556 55.238 2.201 -9.117 1.00 0.00 H new ATOM 0 HD11 ILE A 556 53.577 3.028 -5.115 1.00 0.00 H new ATOM 0 HD12 ILE A 556 52.370 1.954 -5.862 1.00 0.00 H new ATOM 0 HD13 ILE A 556 54.102 1.560 -5.974 1.00 0.00 H new ATOM 249 N THR A 557 52.872 2.821 -12.048 1.00 0.00 N ATOM 250 CA THR A 557 52.751 2.057 -13.324 1.00 0.00 C ATOM 251 C THR A 557 53.980 1.163 -13.513 1.00 0.00 C ATOM 252 O THR A 557 54.986 1.574 -14.060 1.00 0.00 O ATOM 253 CB THR A 557 52.635 3.040 -14.494 1.00 0.00 C ATOM 254 OG1 THR A 557 53.685 3.994 -14.415 1.00 0.00 O ATOM 255 CG2 THR A 557 51.284 3.758 -14.427 1.00 0.00 C ATOM 0 H THR A 557 53.190 3.785 -12.150 1.00 0.00 H new ATOM 0 HA THR A 557 51.861 1.429 -13.289 1.00 0.00 H new ATOM 0 HB THR A 557 52.709 2.496 -15.435 1.00 0.00 H new ATOM 0 HG1 THR A 557 54.542 3.530 -14.309 1.00 0.00 H new ATOM 0 HG21 THR A 557 51.202 4.457 -15.259 1.00 0.00 H new ATOM 0 HG22 THR A 557 50.479 3.025 -14.488 1.00 0.00 H new ATOM 0 HG23 THR A 557 51.208 4.303 -13.486 1.00 0.00 H new ATOM 263 N GLY A 558 53.898 -0.057 -13.054 1.00 0.00 N ATOM 264 CA GLY A 558 55.043 -1.004 -13.184 1.00 0.00 C ATOM 265 C GLY A 558 55.205 -1.746 -11.861 1.00 0.00 C ATOM 266 O GLY A 558 54.259 -1.901 -11.113 1.00 0.00 O ATOM 0 H GLY A 558 53.076 -0.442 -12.589 1.00 0.00 H new ATOM 0 HA2 GLY A 558 54.862 -1.709 -13.995 1.00 0.00 H new ATOM 0 HA3 GLY A 558 55.957 -0.463 -13.430 1.00 0.00 H new ATOM 270 N ARG A 559 56.393 -2.193 -11.551 1.00 0.00 N ATOM 271 CA ARG A 559 56.598 -2.904 -10.259 1.00 0.00 C ATOM 272 C ARG A 559 56.201 -1.966 -9.122 1.00 0.00 C ATOM 273 O ARG A 559 56.150 -0.764 -9.294 1.00 0.00 O ATOM 274 CB ARG A 559 58.071 -3.296 -10.119 1.00 0.00 C ATOM 275 CG ARG A 559 58.296 -4.677 -10.743 1.00 0.00 C ATOM 276 CD ARG A 559 58.162 -5.759 -9.667 1.00 0.00 C ATOM 277 NE ARG A 559 56.734 -6.180 -9.563 1.00 0.00 N ATOM 278 CZ ARG A 559 56.411 -7.271 -8.919 1.00 0.00 C ATOM 279 NH1 ARG A 559 55.161 -7.631 -8.840 1.00 0.00 N ATOM 280 NH2 ARG A 559 57.334 -7.999 -8.352 1.00 0.00 N ATOM 0 H ARG A 559 57.225 -2.097 -12.134 1.00 0.00 H new ATOM 0 HA ARG A 559 55.988 -3.807 -10.225 1.00 0.00 H new ATOM 0 HB2 ARG A 559 58.703 -2.556 -10.610 1.00 0.00 H new ATOM 0 HB3 ARG A 559 58.356 -3.310 -9.067 1.00 0.00 H new ATOM 0 HG2 ARG A 559 57.571 -4.850 -11.538 1.00 0.00 H new ATOM 0 HG3 ARG A 559 59.285 -4.724 -11.198 1.00 0.00 H new ATOM 0 HD2 ARG A 559 58.788 -6.616 -9.917 1.00 0.00 H new ATOM 0 HD3 ARG A 559 58.511 -5.378 -8.707 1.00 0.00 H new ATOM 0 HE ARG A 559 56.006 -5.613 -9.997 1.00 0.00 H new ATOM 0 HH11 ARG A 559 54.438 -7.062 -9.280 1.00 0.00 H new ATOM 0 HH12 ARG A 559 54.906 -8.482 -8.338 1.00 0.00 H new ATOM 0 HH21 ARG A 559 58.313 -7.718 -8.410 1.00 0.00 H new ATOM 0 HH22 ARG A 559 57.077 -8.849 -7.851 1.00 0.00 H new ATOM 294 N CYS A 560 55.907 -2.496 -7.969 1.00 0.00 N ATOM 295 CA CYS A 560 55.503 -1.615 -6.839 1.00 0.00 C ATOM 296 C CYS A 560 55.810 -2.293 -5.508 1.00 0.00 C ATOM 297 O CYS A 560 55.562 -3.469 -5.320 1.00 0.00 O ATOM 298 CB CYS A 560 54.004 -1.327 -6.935 1.00 0.00 C ATOM 299 SG CYS A 560 53.069 -2.839 -6.591 1.00 0.00 S ATOM 0 H CYS A 560 55.928 -3.494 -7.760 1.00 0.00 H new ATOM 0 HA CYS A 560 56.062 -0.681 -6.895 1.00 0.00 H new ATOM 0 HB2 CYS A 560 53.727 -0.547 -6.225 1.00 0.00 H new ATOM 0 HB3 CYS A 560 53.758 -0.954 -7.929 1.00 0.00 H new ATOM 0 HG CYS A 560 53.812 -3.664 -5.915 1.00 0.00 H new ATOM 305 N ILE A 561 56.346 -1.549 -4.581 1.00 0.00 N ATOM 306 CA ILE A 561 56.673 -2.126 -3.248 1.00 0.00 C ATOM 307 C ILE A 561 55.464 -1.975 -2.326 1.00 0.00 C ATOM 308 O ILE A 561 54.664 -1.074 -2.485 1.00 0.00 O ATOM 309 CB ILE A 561 57.867 -1.380 -2.641 1.00 0.00 C ATOM 310 CG1 ILE A 561 58.876 -1.020 -3.744 1.00 0.00 C ATOM 311 CG2 ILE A 561 58.541 -2.266 -1.591 1.00 0.00 C ATOM 312 CD1 ILE A 561 59.450 -2.295 -4.370 1.00 0.00 C ATOM 0 H ILE A 561 56.573 -0.561 -4.691 1.00 0.00 H new ATOM 0 HA ILE A 561 56.925 -3.181 -3.361 1.00 0.00 H new ATOM 0 HB ILE A 561 57.516 -0.462 -2.169 1.00 0.00 H new ATOM 0 HG12 ILE A 561 58.389 -0.417 -4.510 1.00 0.00 H new ATOM 0 HG13 ILE A 561 59.682 -0.416 -3.327 1.00 0.00 H new ATOM 0 HG21 ILE A 561 59.390 -1.736 -1.159 1.00 0.00 H new ATOM 0 HG22 ILE A 561 57.825 -2.507 -0.805 1.00 0.00 H new ATOM 0 HG23 ILE A 561 58.888 -3.186 -2.060 1.00 0.00 H new ATOM 0 HD11 ILE A 561 60.163 -2.028 -5.150 1.00 0.00 H new ATOM 0 HD12 ILE A 561 59.954 -2.882 -3.602 1.00 0.00 H new ATOM 0 HD13 ILE A 561 58.641 -2.883 -4.804 1.00 0.00 H new ATOM 324 N THR A 562 55.332 -2.845 -1.361 1.00 0.00 N ATOM 325 CA THR A 562 54.182 -2.753 -0.417 1.00 0.00 C ATOM 326 C THR A 562 54.709 -2.842 1.014 1.00 0.00 C ATOM 327 O THR A 562 55.090 -3.897 1.483 1.00 0.00 O ATOM 328 CB THR A 562 53.204 -3.902 -0.676 1.00 0.00 C ATOM 329 OG1 THR A 562 52.707 -3.807 -2.004 1.00 0.00 O ATOM 330 CG2 THR A 562 52.039 -3.820 0.314 1.00 0.00 C ATOM 0 H THR A 562 55.974 -3.618 -1.186 1.00 0.00 H new ATOM 0 HA THR A 562 53.662 -1.806 -0.563 1.00 0.00 H new ATOM 0 HB THR A 562 53.720 -4.854 -0.546 1.00 0.00 H new ATOM 0 HG1 THR A 562 52.082 -4.543 -2.173 1.00 0.00 H new ATOM 0 HG21 THR A 562 51.344 -4.639 0.127 1.00 0.00 H new ATOM 0 HG22 THR A 562 52.421 -3.893 1.332 1.00 0.00 H new ATOM 0 HG23 THR A 562 51.521 -2.869 0.188 1.00 0.00 H new ATOM 338 N ALA A 563 54.734 -1.739 1.708 1.00 0.00 N ATOM 339 CA ALA A 563 55.235 -1.745 3.110 1.00 0.00 C ATOM 340 C ALA A 563 54.067 -2.021 4.057 1.00 0.00 C ATOM 341 O ALA A 563 53.320 -2.962 3.869 1.00 0.00 O ATOM 342 CB ALA A 563 55.864 -0.385 3.424 1.00 0.00 C ATOM 0 H ALA A 563 54.428 -0.829 1.363 1.00 0.00 H new ATOM 0 HA ALA A 563 55.988 -2.522 3.238 1.00 0.00 H new ATOM 0 HB1 ALA A 563 56.233 -0.383 4.450 1.00 0.00 H new ATOM 0 HB2 ALA A 563 56.692 -0.201 2.740 1.00 0.00 H new ATOM 0 HB3 ALA A 563 55.115 0.398 3.306 1.00 0.00 H new ATOM 348 N MET A 564 53.895 -1.207 5.065 1.00 0.00 N ATOM 349 CA MET A 564 52.764 -1.415 6.013 1.00 0.00 C ATOM 350 C MET A 564 51.472 -1.013 5.307 1.00 0.00 C ATOM 351 O MET A 564 50.791 -0.087 5.706 1.00 0.00 O ATOM 352 CB MET A 564 52.964 -0.536 7.243 1.00 0.00 C ATOM 353 CG MET A 564 54.214 -0.987 8.001 1.00 0.00 C ATOM 354 SD MET A 564 54.392 -0.001 9.508 1.00 0.00 S ATOM 355 CE MET A 564 55.410 -1.175 10.435 1.00 0.00 C ATOM 0 H MET A 564 54.491 -0.406 5.272 1.00 0.00 H new ATOM 0 HA MET A 564 52.718 -2.459 6.324 1.00 0.00 H new ATOM 0 HB2 MET A 564 53.065 0.507 6.944 1.00 0.00 H new ATOM 0 HB3 MET A 564 52.091 -0.598 7.892 1.00 0.00 H new ATOM 0 HG2 MET A 564 54.138 -2.045 8.252 1.00 0.00 H new ATOM 0 HG3 MET A 564 55.096 -0.871 7.371 1.00 0.00 H new ATOM 0 HE1 MET A 564 55.322 -0.970 11.502 1.00 0.00 H new ATOM 0 HE2 MET A 564 55.071 -2.191 10.231 1.00 0.00 H new ATOM 0 HE3 MET A 564 56.452 -1.073 10.131 1.00 0.00 H new ATOM 365 N ALA A 565 51.162 -1.687 4.235 1.00 0.00 N ATOM 366 CA ALA A 565 49.942 -1.356 3.441 1.00 0.00 C ATOM 367 C ALA A 565 50.243 -0.121 2.590 1.00 0.00 C ATOM 368 O ALA A 565 49.501 0.225 1.690 1.00 0.00 O ATOM 369 CB ALA A 565 48.752 -1.077 4.370 1.00 0.00 C ATOM 0 H ALA A 565 51.710 -2.465 3.869 1.00 0.00 H new ATOM 0 HA ALA A 565 49.679 -2.200 2.803 1.00 0.00 H new ATOM 0 HB1 ALA A 565 47.872 -0.838 3.773 1.00 0.00 H new ATOM 0 HB2 ALA A 565 48.549 -1.960 4.977 1.00 0.00 H new ATOM 0 HB3 ALA A 565 48.988 -0.235 5.021 1.00 0.00 H new ATOM 375 N LYS A 566 51.343 0.534 2.867 1.00 0.00 N ATOM 376 CA LYS A 566 51.727 1.741 2.084 1.00 0.00 C ATOM 377 C LYS A 566 52.578 1.306 0.891 1.00 0.00 C ATOM 378 O LYS A 566 53.484 0.506 1.026 1.00 0.00 O ATOM 379 CB LYS A 566 52.541 2.683 2.974 1.00 0.00 C ATOM 380 CG LYS A 566 51.638 3.800 3.503 1.00 0.00 C ATOM 381 CD LYS A 566 52.477 4.803 4.298 1.00 0.00 C ATOM 382 CE LYS A 566 52.972 4.148 5.591 1.00 0.00 C ATOM 383 NZ LYS A 566 54.400 3.752 5.433 1.00 0.00 N ATOM 0 H LYS A 566 51.995 0.279 3.609 1.00 0.00 H new ATOM 0 HA LYS A 566 50.833 2.257 1.732 1.00 0.00 H new ATOM 0 HB2 LYS A 566 52.975 2.128 3.806 1.00 0.00 H new ATOM 0 HB3 LYS A 566 53.369 3.109 2.408 1.00 0.00 H new ATOM 0 HG2 LYS A 566 51.140 4.303 2.674 1.00 0.00 H new ATOM 0 HG3 LYS A 566 50.857 3.381 4.137 1.00 0.00 H new ATOM 0 HD2 LYS A 566 53.325 5.138 3.700 1.00 0.00 H new ATOM 0 HD3 LYS A 566 51.882 5.686 4.530 1.00 0.00 H new ATOM 0 HE2 LYS A 566 52.866 4.841 6.426 1.00 0.00 H new ATOM 0 HE3 LYS A 566 52.365 3.273 5.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 566 54.575 2.868 5.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 566 54.611 3.609 4.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 566 55.012 4.503 5.812 1.00 0.00 H new ATOM 397 N LYS A 567 52.291 1.815 -0.275 1.00 0.00 N ATOM 398 CA LYS A 567 53.077 1.420 -1.475 1.00 0.00 C ATOM 399 C LYS A 567 54.191 2.433 -1.719 1.00 0.00 C ATOM 400 O LYS A 567 54.243 3.474 -1.100 1.00 0.00 O ATOM 401 CB LYS A 567 52.153 1.366 -2.691 1.00 0.00 C ATOM 402 CG LYS A 567 51.409 0.029 -2.704 1.00 0.00 C ATOM 403 CD LYS A 567 50.663 -0.154 -1.378 1.00 0.00 C ATOM 404 CE LYS A 567 49.550 -1.186 -1.556 1.00 0.00 C ATOM 405 NZ LYS A 567 49.232 -1.807 -0.238 1.00 0.00 N ATOM 0 H LYS A 567 51.545 2.488 -0.448 1.00 0.00 H new ATOM 0 HA LYS A 567 53.519 0.437 -1.311 1.00 0.00 H new ATOM 0 HB2 LYS A 567 51.441 2.191 -2.658 1.00 0.00 H new ATOM 0 HB3 LYS A 567 52.732 1.482 -3.607 1.00 0.00 H new ATOM 0 HG2 LYS A 567 50.706 0.000 -3.536 1.00 0.00 H new ATOM 0 HG3 LYS A 567 52.113 -0.790 -2.853 1.00 0.00 H new ATOM 0 HD2 LYS A 567 51.355 -0.480 -0.602 1.00 0.00 H new ATOM 0 HD3 LYS A 567 50.242 0.797 -1.051 1.00 0.00 H new ATOM 0 HE2 LYS A 567 48.661 -0.710 -1.970 1.00 0.00 H new ATOM 0 HE3 LYS A 567 49.861 -1.953 -2.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 567 49.615 -2.774 -0.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 567 49.659 -1.242 0.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 567 48.201 -1.839 -0.109 1.00 0.00 H new ATOM 419 N PHE A 568 55.083 2.124 -2.616 1.00 0.00 N ATOM 420 CA PHE A 568 56.213 3.050 -2.916 1.00 0.00 C ATOM 421 C PHE A 568 56.745 2.739 -4.310 1.00 0.00 C ATOM 422 O PHE A 568 56.936 1.588 -4.655 1.00 0.00 O ATOM 423 CB PHE A 568 57.357 2.812 -1.922 1.00 0.00 C ATOM 424 CG PHE A 568 57.010 3.346 -0.550 1.00 0.00 C ATOM 425 CD1 PHE A 568 57.306 4.674 -0.219 1.00 0.00 C ATOM 426 CD2 PHE A 568 56.411 2.505 0.397 1.00 0.00 C ATOM 427 CE1 PHE A 568 57.001 5.161 1.058 1.00 0.00 C ATOM 428 CE2 PHE A 568 56.104 2.994 1.672 1.00 0.00 C ATOM 429 CZ PHE A 568 56.400 4.321 2.003 1.00 0.00 C ATOM 0 H PHE A 568 55.079 1.261 -3.160 1.00 0.00 H new ATOM 0 HA PHE A 568 55.859 4.079 -2.847 1.00 0.00 H new ATOM 0 HB2 PHE A 568 57.569 1.745 -1.857 1.00 0.00 H new ATOM 0 HB3 PHE A 568 58.264 3.296 -2.285 1.00 0.00 H new ATOM 0 HD1 PHE A 568 57.769 5.322 -0.948 1.00 0.00 H new ATOM 0 HD2 PHE A 568 56.186 1.480 0.143 1.00 0.00 H new ATOM 0 HE1 PHE A 568 57.230 6.185 1.314 1.00 0.00 H new ATOM 0 HE2 PHE A 568 55.638 2.347 2.401 1.00 0.00 H new ATOM 0 HZ PHE A 568 56.165 4.697 2.988 1.00 0.00 H new ATOM 439 N HIS A 569 57.028 3.738 -5.104 1.00 0.00 N ATOM 440 CA HIS A 569 57.596 3.448 -6.447 1.00 0.00 C ATOM 441 C HIS A 569 58.865 2.627 -6.213 1.00 0.00 C ATOM 442 O HIS A 569 59.649 2.955 -5.344 1.00 0.00 O ATOM 443 CB HIS A 569 57.969 4.750 -7.168 1.00 0.00 C ATOM 444 CG HIS A 569 56.764 5.339 -7.851 1.00 0.00 C ATOM 445 ND1 HIS A 569 56.233 6.559 -7.469 1.00 0.00 N ATOM 446 CD2 HIS A 569 55.988 4.902 -8.896 1.00 0.00 C ATOM 447 CE1 HIS A 569 55.184 6.817 -8.271 1.00 0.00 C ATOM 448 NE2 HIS A 569 54.992 5.838 -9.158 1.00 0.00 N ATOM 0 H HIS A 569 56.892 4.725 -4.884 1.00 0.00 H new ATOM 0 HA HIS A 569 56.871 2.916 -7.063 1.00 0.00 H new ATOM 0 HB2 HIS A 569 58.375 5.465 -6.453 1.00 0.00 H new ATOM 0 HB3 HIS A 569 58.751 4.555 -7.902 1.00 0.00 H new ATOM 0 HD2 HIS A 569 56.129 3.975 -9.432 1.00 0.00 H new ATOM 0 HE1 HIS A 569 54.573 7.705 -8.205 1.00 0.00 H new ATOM 0 HE2 HIS A 569 54.269 5.787 -9.875 1.00 0.00 H new ATOM 456 N PRO A 570 59.068 1.569 -6.951 1.00 0.00 N ATOM 457 CA PRO A 570 60.278 0.721 -6.764 1.00 0.00 C ATOM 458 C PRO A 570 61.573 1.542 -6.719 1.00 0.00 C ATOM 459 O PRO A 570 62.625 1.044 -6.369 1.00 0.00 O ATOM 460 CB PRO A 570 60.223 -0.184 -7.993 1.00 0.00 C ATOM 461 CG PRO A 570 58.796 -0.130 -8.548 1.00 0.00 C ATOM 462 CD PRO A 570 58.122 1.136 -8.013 1.00 0.00 C ATOM 0 HA PRO A 570 60.282 0.182 -5.816 1.00 0.00 H new ATOM 0 HB2 PRO A 570 60.939 0.148 -8.745 1.00 0.00 H new ATOM 0 HB3 PRO A 570 60.492 -1.206 -7.727 1.00 0.00 H new ATOM 0 HG2 PRO A 570 58.812 -0.120 -9.638 1.00 0.00 H new ATOM 0 HG3 PRO A 570 58.237 -1.015 -8.245 1.00 0.00 H new ATOM 0 HD2 PRO A 570 58.005 1.894 -8.788 1.00 0.00 H new ATOM 0 HD3 PRO A 570 57.128 0.931 -7.615 1.00 0.00 H new ATOM 470 N GLU A 571 61.489 2.803 -7.054 1.00 0.00 N ATOM 471 CA GLU A 571 62.691 3.683 -7.021 1.00 0.00 C ATOM 472 C GLU A 571 62.542 4.712 -5.892 1.00 0.00 C ATOM 473 O GLU A 571 63.500 5.343 -5.490 1.00 0.00 O ATOM 474 CB GLU A 571 62.825 4.412 -8.360 1.00 0.00 C ATOM 475 CG GLU A 571 61.567 5.248 -8.615 1.00 0.00 C ATOM 476 CD GLU A 571 61.769 6.118 -9.858 1.00 0.00 C ATOM 477 OE1 GLU A 571 62.092 7.283 -9.694 1.00 0.00 O ATOM 478 OE2 GLU A 571 61.595 5.605 -10.951 1.00 0.00 O ATOM 0 H GLU A 571 60.629 3.264 -7.352 1.00 0.00 H new ATOM 0 HA GLU A 571 63.580 3.077 -6.845 1.00 0.00 H new ATOM 0 HB2 GLU A 571 63.706 5.054 -8.350 1.00 0.00 H new ATOM 0 HB3 GLU A 571 62.965 3.692 -9.166 1.00 0.00 H new ATOM 0 HG2 GLU A 571 60.706 4.594 -8.753 1.00 0.00 H new ATOM 0 HG3 GLU A 571 61.355 5.876 -7.750 1.00 0.00 H new ATOM 485 N HIS A 572 61.346 4.885 -5.374 1.00 0.00 N ATOM 486 CA HIS A 572 61.143 5.873 -4.270 1.00 0.00 C ATOM 487 C HIS A 572 61.128 5.138 -2.932 1.00 0.00 C ATOM 488 O HIS A 572 61.245 5.740 -1.882 1.00 0.00 O ATOM 489 CB HIS A 572 59.825 6.630 -4.478 1.00 0.00 C ATOM 490 CG HIS A 572 59.946 7.466 -5.726 1.00 0.00 C ATOM 491 ND1 HIS A 572 58.847 7.950 -6.430 1.00 0.00 N ATOM 492 CD2 HIS A 572 61.051 7.906 -6.417 1.00 0.00 C ATOM 493 CE1 HIS A 572 59.319 8.639 -7.487 1.00 0.00 C ATOM 494 NE2 HIS A 572 60.650 8.642 -7.523 1.00 0.00 N ATOM 0 H HIS A 572 60.507 4.386 -5.669 1.00 0.00 H new ATOM 0 HA HIS A 572 61.959 6.595 -4.273 1.00 0.00 H new ATOM 0 HB2 HIS A 572 58.996 5.929 -4.571 1.00 0.00 H new ATOM 0 HB3 HIS A 572 59.612 7.263 -3.617 1.00 0.00 H new ATOM 0 HD2 HIS A 572 62.076 7.708 -6.140 1.00 0.00 H new ATOM 0 HE1 HIS A 572 58.693 9.130 -8.217 1.00 0.00 H new ATOM 0 HE2 HIS A 572 61.248 9.090 -8.217 1.00 0.00 H new ATOM 502 N PHE A 573 61.014 3.838 -2.965 1.00 0.00 N ATOM 503 CA PHE A 573 61.027 3.054 -1.704 1.00 0.00 C ATOM 504 C PHE A 573 62.468 3.001 -1.212 1.00 0.00 C ATOM 505 O PHE A 573 63.218 2.107 -1.551 1.00 0.00 O ATOM 506 CB PHE A 573 60.522 1.636 -1.974 1.00 0.00 C ATOM 507 CG PHE A 573 60.476 0.851 -0.681 1.00 0.00 C ATOM 508 CD1 PHE A 573 59.721 1.321 0.401 1.00 0.00 C ATOM 509 CD2 PHE A 573 61.189 -0.349 -0.565 1.00 0.00 C ATOM 510 CE1 PHE A 573 59.679 0.593 1.596 1.00 0.00 C ATOM 511 CE2 PHE A 573 61.147 -1.077 0.629 1.00 0.00 C ATOM 512 CZ PHE A 573 60.392 -0.606 1.710 1.00 0.00 C ATOM 0 H PHE A 573 60.912 3.286 -3.817 1.00 0.00 H new ATOM 0 HA PHE A 573 60.382 3.516 -0.957 1.00 0.00 H new ATOM 0 HB2 PHE A 573 59.529 1.673 -2.422 1.00 0.00 H new ATOM 0 HB3 PHE A 573 61.176 1.138 -2.689 1.00 0.00 H new ATOM 0 HD1 PHE A 573 59.171 2.246 0.313 1.00 0.00 H new ATOM 0 HD2 PHE A 573 61.772 -0.713 -1.398 1.00 0.00 H new ATOM 0 HE1 PHE A 573 59.097 0.956 2.430 1.00 0.00 H new ATOM 0 HE2 PHE A 573 61.697 -2.002 0.717 1.00 0.00 H new ATOM 0 HZ PHE A 573 60.360 -1.168 2.632 1.00 0.00 H new ATOM 522 N VAL A 574 62.868 3.971 -0.444 1.00 0.00 N ATOM 523 CA VAL A 574 64.274 4.003 0.048 1.00 0.00 C ATOM 524 C VAL A 574 64.327 3.655 1.537 1.00 0.00 C ATOM 525 O VAL A 574 63.315 3.523 2.198 1.00 0.00 O ATOM 526 CB VAL A 574 64.860 5.401 -0.172 1.00 0.00 C ATOM 527 CG1 VAL A 574 64.827 5.745 -1.665 1.00 0.00 C ATOM 528 CG2 VAL A 574 64.037 6.434 0.608 1.00 0.00 C ATOM 0 H VAL A 574 62.282 4.746 -0.134 1.00 0.00 H new ATOM 0 HA VAL A 574 64.858 3.267 -0.505 1.00 0.00 H new ATOM 0 HB VAL A 574 65.891 5.417 0.181 1.00 0.00 H new ATOM 0 HG11 VAL A 574 65.244 6.740 -1.818 1.00 0.00 H new ATOM 0 HG12 VAL A 574 65.416 5.015 -2.220 1.00 0.00 H new ATOM 0 HG13 VAL A 574 63.797 5.725 -2.020 1.00 0.00 H new ATOM 0 HG21 VAL A 574 64.456 7.428 0.450 1.00 0.00 H new ATOM 0 HG22 VAL A 574 63.005 6.416 0.259 1.00 0.00 H new ATOM 0 HG23 VAL A 574 64.065 6.194 1.671 1.00 0.00 H new ATOM 538 N CYS A 575 65.515 3.504 2.060 1.00 0.00 N ATOM 539 CA CYS A 575 65.678 3.160 3.501 1.00 0.00 C ATOM 540 C CYS A 575 65.463 4.406 4.359 1.00 0.00 C ATOM 541 O CYS A 575 66.030 5.449 4.101 1.00 0.00 O ATOM 542 CB CYS A 575 67.097 2.638 3.724 1.00 0.00 C ATOM 543 SG CYS A 575 67.449 2.543 5.498 1.00 0.00 S ATOM 0 H CYS A 575 66.389 3.606 1.543 1.00 0.00 H new ATOM 0 HA CYS A 575 64.947 2.401 3.780 1.00 0.00 H new ATOM 0 HB2 CYS A 575 67.207 1.653 3.270 1.00 0.00 H new ATOM 0 HB3 CYS A 575 67.816 3.296 3.237 1.00 0.00 H new ATOM 548 N ALA A 576 64.656 4.303 5.385 1.00 0.00 N ATOM 549 CA ALA A 576 64.416 5.481 6.272 1.00 0.00 C ATOM 550 C ALA A 576 65.668 5.750 7.123 1.00 0.00 C ATOM 551 O ALA A 576 65.582 6.069 8.294 1.00 0.00 O ATOM 552 CB ALA A 576 63.221 5.195 7.185 1.00 0.00 C ATOM 0 H ALA A 576 64.154 3.455 5.646 1.00 0.00 H new ATOM 0 HA ALA A 576 64.203 6.359 5.662 1.00 0.00 H new ATOM 0 HB1 ALA A 576 63.044 6.054 7.833 1.00 0.00 H new ATOM 0 HB2 ALA A 576 62.335 5.011 6.578 1.00 0.00 H new ATOM 0 HB3 ALA A 576 63.432 4.317 7.796 1.00 0.00 H new ATOM 558 N PHE A 577 66.828 5.629 6.531 1.00 0.00 N ATOM 559 CA PHE A 577 68.100 5.878 7.272 1.00 0.00 C ATOM 560 C PHE A 577 69.101 6.511 6.310 1.00 0.00 C ATOM 561 O PHE A 577 69.540 7.630 6.496 1.00 0.00 O ATOM 562 CB PHE A 577 68.666 4.551 7.787 1.00 0.00 C ATOM 563 CG PHE A 577 69.566 4.803 8.976 1.00 0.00 C ATOM 564 CD1 PHE A 577 70.946 4.591 8.866 1.00 0.00 C ATOM 565 CD2 PHE A 577 69.021 5.246 10.188 1.00 0.00 C ATOM 566 CE1 PHE A 577 71.779 4.822 9.967 1.00 0.00 C ATOM 567 CE2 PHE A 577 69.855 5.477 11.288 1.00 0.00 C ATOM 568 CZ PHE A 577 71.234 5.265 11.178 1.00 0.00 C ATOM 0 H PHE A 577 66.949 5.365 5.553 1.00 0.00 H new ATOM 0 HA PHE A 577 67.914 6.540 8.118 1.00 0.00 H new ATOM 0 HB2 PHE A 577 67.852 3.884 8.071 1.00 0.00 H new ATOM 0 HB3 PHE A 577 69.225 4.052 6.995 1.00 0.00 H new ATOM 0 HD1 PHE A 577 71.367 4.249 7.932 1.00 0.00 H new ATOM 0 HD2 PHE A 577 67.957 5.409 10.274 1.00 0.00 H new ATOM 0 HE1 PHE A 577 72.843 4.658 9.882 1.00 0.00 H new ATOM 0 HE2 PHE A 577 69.434 5.819 12.222 1.00 0.00 H new ATOM 0 HZ PHE A 577 71.877 5.443 12.027 1.00 0.00 H new ATOM 578 N CYS A 578 69.451 5.798 5.273 1.00 0.00 N ATOM 579 CA CYS A 578 70.412 6.340 4.270 1.00 0.00 C ATOM 580 C CYS A 578 69.623 6.915 3.092 1.00 0.00 C ATOM 581 O CYS A 578 70.123 7.721 2.331 1.00 0.00 O ATOM 582 CB CYS A 578 71.329 5.216 3.782 1.00 0.00 C ATOM 583 SG CYS A 578 70.357 3.712 3.519 1.00 0.00 S ATOM 0 H CYS A 578 69.110 4.857 5.077 1.00 0.00 H new ATOM 0 HA CYS A 578 71.021 7.123 4.721 1.00 0.00 H new ATOM 0 HB2 CYS A 578 71.820 5.510 2.855 1.00 0.00 H new ATOM 0 HB3 CYS A 578 72.115 5.030 4.514 1.00 0.00 H new ATOM 588 N LEU A 579 68.386 6.507 2.951 1.00 0.00 N ATOM 589 CA LEU A 579 67.526 7.018 1.839 1.00 0.00 C ATOM 590 C LEU A 579 68.215 6.804 0.486 1.00 0.00 C ATOM 591 O LEU A 579 67.880 7.440 -0.495 1.00 0.00 O ATOM 592 CB LEU A 579 67.250 8.512 2.045 1.00 0.00 C ATOM 593 CG LEU A 579 66.540 8.726 3.388 1.00 0.00 C ATOM 594 CD1 LEU A 579 67.543 9.234 4.427 1.00 0.00 C ATOM 595 CD2 LEU A 579 65.420 9.757 3.217 1.00 0.00 C ATOM 0 H LEU A 579 67.930 5.833 3.567 1.00 0.00 H new ATOM 0 HA LEU A 579 66.585 6.468 1.844 1.00 0.00 H new ATOM 0 HB2 LEU A 579 68.186 9.071 2.024 1.00 0.00 H new ATOM 0 HB3 LEU A 579 66.633 8.893 1.231 1.00 0.00 H new ATOM 0 HG LEU A 579 66.117 7.780 3.725 1.00 0.00 H new ATOM 0 HD11 LEU A 579 67.035 9.385 5.380 1.00 0.00 H new ATOM 0 HD12 LEU A 579 68.340 8.501 4.553 1.00 0.00 H new ATOM 0 HD13 LEU A 579 67.969 10.179 4.090 1.00 0.00 H new ATOM 0 HD21 LEU A 579 64.916 9.908 4.172 1.00 0.00 H new ATOM 0 HD22 LEU A 579 65.844 10.702 2.877 1.00 0.00 H new ATOM 0 HD23 LEU A 579 64.702 9.395 2.481 1.00 0.00 H new ATOM 607 N LYS A 580 69.166 5.910 0.421 1.00 0.00 N ATOM 608 CA LYS A 580 69.864 5.655 -0.873 1.00 0.00 C ATOM 609 C LYS A 580 68.913 4.910 -1.817 1.00 0.00 C ATOM 610 O LYS A 580 68.673 5.328 -2.933 1.00 0.00 O ATOM 611 CB LYS A 580 71.122 4.812 -0.622 1.00 0.00 C ATOM 612 CG LYS A 580 70.737 3.463 0.001 1.00 0.00 C ATOM 613 CD LYS A 580 71.957 2.839 0.685 1.00 0.00 C ATOM 614 CE LYS A 580 72.198 1.435 0.127 1.00 0.00 C ATOM 615 NZ LYS A 580 72.609 1.531 -1.303 1.00 0.00 N ATOM 0 H LYS A 580 69.489 5.346 1.207 1.00 0.00 H new ATOM 0 HA LYS A 580 70.158 6.601 -1.327 1.00 0.00 H new ATOM 0 HB2 LYS A 580 71.654 4.650 -1.560 1.00 0.00 H new ATOM 0 HB3 LYS A 580 71.801 5.347 0.041 1.00 0.00 H new ATOM 0 HG2 LYS A 580 69.935 3.603 0.725 1.00 0.00 H new ATOM 0 HG3 LYS A 580 70.358 2.792 -0.769 1.00 0.00 H new ATOM 0 HD2 LYS A 580 72.836 3.462 0.521 1.00 0.00 H new ATOM 0 HD3 LYS A 580 71.797 2.790 1.762 1.00 0.00 H new ATOM 0 HE2 LYS A 580 72.972 0.930 0.706 1.00 0.00 H new ATOM 0 HE3 LYS A 580 71.292 0.836 0.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 580 73.164 0.690 -1.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 580 71.762 1.586 -1.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 580 73.188 2.384 -1.441 1.00 0.00 H new ATOM 629 N GLN A 581 68.368 3.814 -1.362 1.00 0.00 N ATOM 630 CA GLN A 581 67.424 3.018 -2.193 1.00 0.00 C ATOM 631 C GLN A 581 66.969 1.823 -1.365 1.00 0.00 C ATOM 632 O GLN A 581 67.609 1.461 -0.395 1.00 0.00 O ATOM 633 CB GLN A 581 68.123 2.523 -3.466 1.00 0.00 C ATOM 634 CG GLN A 581 67.232 2.791 -4.683 1.00 0.00 C ATOM 635 CD GLN A 581 66.786 1.466 -5.298 1.00 0.00 C ATOM 636 OE1 GLN A 581 65.661 0.935 -4.914 1.00 0.00 O flip ATOM 637 NE2 GLN A 581 67.467 0.908 -6.135 1.00 0.00 N flip ATOM 0 H GLN A 581 68.542 3.431 -0.433 1.00 0.00 H new ATOM 0 HA GLN A 581 66.573 3.633 -2.486 1.00 0.00 H new ATOM 0 HB2 GLN A 581 69.081 3.029 -3.586 1.00 0.00 H new ATOM 0 HB3 GLN A 581 68.334 1.457 -3.385 1.00 0.00 H new ATOM 0 HG2 GLN A 581 66.362 3.376 -4.386 1.00 0.00 H new ATOM 0 HG3 GLN A 581 67.776 3.380 -5.421 1.00 0.00 H new ATOM 0 HE21 GLN A 581 68.348 1.324 -6.436 1.00 0.00 H new ATOM 0 HE22 GLN A 581 67.157 0.023 -6.537 1.00 0.00 H new ATOM 646 N LEU A 582 65.875 1.208 -1.716 1.00 0.00 N ATOM 647 CA LEU A 582 65.409 0.047 -0.912 1.00 0.00 C ATOM 648 C LEU A 582 64.442 -0.818 -1.721 1.00 0.00 C ATOM 649 O LEU A 582 63.825 -0.369 -2.668 1.00 0.00 O ATOM 650 CB LEU A 582 64.712 0.565 0.350 1.00 0.00 C ATOM 651 CG LEU A 582 64.862 -0.453 1.475 1.00 0.00 C ATOM 652 CD1 LEU A 582 66.313 -0.478 1.959 1.00 0.00 C ATOM 653 CD2 LEU A 582 63.942 -0.064 2.633 1.00 0.00 C ATOM 0 H LEU A 582 65.290 1.455 -2.514 1.00 0.00 H new ATOM 0 HA LEU A 582 66.268 -0.567 -0.639 1.00 0.00 H new ATOM 0 HB2 LEU A 582 65.145 1.519 0.650 1.00 0.00 H new ATOM 0 HB3 LEU A 582 63.656 0.744 0.147 1.00 0.00 H new ATOM 0 HG LEU A 582 64.590 -1.443 1.108 1.00 0.00 H new ATOM 0 HD11 LEU A 582 66.416 -1.207 2.763 1.00 0.00 H new ATOM 0 HD12 LEU A 582 66.968 -0.755 1.132 1.00 0.00 H new ATOM 0 HD13 LEU A 582 66.591 0.510 2.327 1.00 0.00 H new ATOM 0 HD21 LEU A 582 64.046 -0.789 3.440 1.00 0.00 H new ATOM 0 HD22 LEU A 582 64.215 0.926 2.998 1.00 0.00 H new ATOM 0 HD23 LEU A 582 62.908 -0.051 2.288 1.00 0.00 H new ATOM 665 N ASN A 583 64.313 -2.063 -1.341 1.00 0.00 N ATOM 666 CA ASN A 583 63.395 -2.989 -2.058 1.00 0.00 C ATOM 667 C ASN A 583 62.836 -4.007 -1.061 1.00 0.00 C ATOM 668 O ASN A 583 63.573 -4.637 -0.327 1.00 0.00 O ATOM 669 CB ASN A 583 64.168 -3.720 -3.160 1.00 0.00 C ATOM 670 CG ASN A 583 65.338 -4.494 -2.546 1.00 0.00 C ATOM 671 OD1 ASN A 583 65.280 -5.701 -2.412 1.00 0.00 O ATOM 672 ND2 ASN A 583 66.403 -3.847 -2.163 1.00 0.00 N ATOM 0 H ASN A 583 64.812 -2.479 -0.555 1.00 0.00 H new ATOM 0 HA ASN A 583 62.576 -2.426 -2.506 1.00 0.00 H new ATOM 0 HB2 ASN A 583 63.505 -4.404 -3.689 1.00 0.00 H new ATOM 0 HB3 ASN A 583 64.539 -3.004 -3.893 1.00 0.00 H new ATOM 0 HD21 ASN A 583 67.187 -4.353 -1.751 1.00 0.00 H new ATOM 0 HD22 ASN A 583 66.452 -2.834 -2.275 1.00 0.00 H new ATOM 679 N LYS A 584 61.539 -4.170 -1.029 1.00 0.00 N ATOM 680 CA LYS A 584 60.918 -5.146 -0.083 1.00 0.00 C ATOM 681 C LYS A 584 61.601 -6.511 -0.234 1.00 0.00 C ATOM 682 O LYS A 584 61.643 -7.303 0.688 1.00 0.00 O ATOM 683 CB LYS A 584 59.422 -5.269 -0.413 1.00 0.00 C ATOM 684 CG LYS A 584 58.841 -6.567 0.166 1.00 0.00 C ATOM 685 CD LYS A 584 58.853 -6.509 1.697 1.00 0.00 C ATOM 686 CE LYS A 584 57.903 -5.408 2.180 1.00 0.00 C ATOM 687 NZ LYS A 584 57.394 -5.749 3.538 1.00 0.00 N ATOM 0 H LYS A 584 60.879 -3.666 -1.621 1.00 0.00 H new ATOM 0 HA LYS A 584 61.040 -4.802 0.944 1.00 0.00 H new ATOM 0 HB2 LYS A 584 58.884 -4.412 -0.008 1.00 0.00 H new ATOM 0 HB3 LYS A 584 59.281 -5.252 -1.494 1.00 0.00 H new ATOM 0 HG2 LYS A 584 57.822 -6.711 -0.193 1.00 0.00 H new ATOM 0 HG3 LYS A 584 59.424 -7.421 -0.178 1.00 0.00 H new ATOM 0 HD2 LYS A 584 58.549 -7.471 2.109 1.00 0.00 H new ATOM 0 HD3 LYS A 584 59.864 -6.313 2.055 1.00 0.00 H new ATOM 0 HE2 LYS A 584 58.423 -4.450 2.205 1.00 0.00 H new ATOM 0 HE3 LYS A 584 57.070 -5.301 1.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 584 56.442 -5.350 3.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 584 57.353 -6.783 3.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 584 58.032 -5.352 4.257 1.00 0.00 H new ATOM 701 N GLY A 585 62.128 -6.786 -1.397 1.00 0.00 N ATOM 702 CA GLY A 585 62.802 -8.095 -1.640 1.00 0.00 C ATOM 703 C GLY A 585 63.920 -8.336 -0.621 1.00 0.00 C ATOM 704 O GLY A 585 64.203 -9.465 -0.271 1.00 0.00 O ATOM 0 H GLY A 585 62.120 -6.153 -2.197 1.00 0.00 H new ATOM 0 HA2 GLY A 585 62.071 -8.901 -1.580 1.00 0.00 H new ATOM 0 HA3 GLY A 585 63.215 -8.114 -2.649 1.00 0.00 H new ATOM 708 N THR A 586 64.571 -7.300 -0.152 1.00 0.00 N ATOM 709 CA THR A 586 65.680 -7.510 0.829 1.00 0.00 C ATOM 710 C THR A 586 65.749 -6.353 1.831 1.00 0.00 C ATOM 711 O THR A 586 66.817 -5.986 2.283 1.00 0.00 O ATOM 712 CB THR A 586 67.014 -7.600 0.075 1.00 0.00 C ATOM 713 OG1 THR A 586 67.239 -6.387 -0.631 1.00 0.00 O ATOM 714 CG2 THR A 586 66.974 -8.767 -0.914 1.00 0.00 C ATOM 0 H THR A 586 64.385 -6.329 -0.402 1.00 0.00 H new ATOM 0 HA THR A 586 65.489 -8.435 1.374 1.00 0.00 H new ATOM 0 HB THR A 586 67.821 -7.764 0.789 1.00 0.00 H new ATOM 0 HG1 THR A 586 66.571 -6.294 -1.342 1.00 0.00 H new ATOM 0 HG21 THR A 586 67.923 -8.826 -1.446 1.00 0.00 H new ATOM 0 HG22 THR A 586 66.803 -9.697 -0.372 1.00 0.00 H new ATOM 0 HG23 THR A 586 66.166 -8.610 -1.629 1.00 0.00 H new ATOM 722 N PHE A 587 64.633 -5.779 2.199 1.00 0.00 N ATOM 723 CA PHE A 587 64.677 -4.660 3.185 1.00 0.00 C ATOM 724 C PHE A 587 64.268 -5.169 4.566 1.00 0.00 C ATOM 725 O PHE A 587 63.900 -6.314 4.749 1.00 0.00 O ATOM 726 CB PHE A 587 63.726 -3.523 2.760 1.00 0.00 C ATOM 727 CG PHE A 587 62.416 -3.613 3.520 1.00 0.00 C ATOM 728 CD1 PHE A 587 61.975 -2.524 4.284 1.00 0.00 C ATOM 729 CD2 PHE A 587 61.649 -4.784 3.467 1.00 0.00 C ATOM 730 CE1 PHE A 587 60.770 -2.607 4.992 1.00 0.00 C ATOM 731 CE2 PHE A 587 60.444 -4.865 4.176 1.00 0.00 C ATOM 732 CZ PHE A 587 60.005 -3.777 4.938 1.00 0.00 C ATOM 0 H PHE A 587 63.704 -6.033 1.864 1.00 0.00 H new ATOM 0 HA PHE A 587 65.696 -4.274 3.221 1.00 0.00 H new ATOM 0 HB2 PHE A 587 64.197 -2.558 2.948 1.00 0.00 H new ATOM 0 HB3 PHE A 587 63.536 -3.581 1.688 1.00 0.00 H new ATOM 0 HD1 PHE A 587 62.565 -1.620 4.327 1.00 0.00 H new ATOM 0 HD2 PHE A 587 61.987 -5.625 2.879 1.00 0.00 H new ATOM 0 HE1 PHE A 587 60.431 -1.767 5.580 1.00 0.00 H new ATOM 0 HE2 PHE A 587 59.853 -5.768 4.134 1.00 0.00 H new ATOM 0 HZ PHE A 587 59.076 -3.840 5.485 1.00 0.00 H new ATOM 742 N LYS A 588 64.312 -4.295 5.524 1.00 0.00 N ATOM 743 CA LYS A 588 63.913 -4.640 6.912 1.00 0.00 C ATOM 744 C LYS A 588 63.181 -3.425 7.484 1.00 0.00 C ATOM 745 O LYS A 588 63.217 -2.356 6.908 1.00 0.00 O ATOM 746 CB LYS A 588 65.162 -4.931 7.748 1.00 0.00 C ATOM 747 CG LYS A 588 65.739 -6.309 7.392 1.00 0.00 C ATOM 748 CD LYS A 588 64.739 -7.421 7.729 1.00 0.00 C ATOM 749 CE LYS A 588 64.201 -7.233 9.151 1.00 0.00 C ATOM 750 NZ LYS A 588 63.469 -8.462 9.570 1.00 0.00 N ATOM 0 H LYS A 588 64.616 -3.329 5.400 1.00 0.00 H new ATOM 0 HA LYS A 588 63.274 -5.523 6.928 1.00 0.00 H new ATOM 0 HB2 LYS A 588 65.912 -4.160 7.572 1.00 0.00 H new ATOM 0 HB3 LYS A 588 64.913 -4.898 8.809 1.00 0.00 H new ATOM 0 HG2 LYS A 588 65.983 -6.343 6.330 1.00 0.00 H new ATOM 0 HG3 LYS A 588 66.668 -6.471 7.938 1.00 0.00 H new ATOM 0 HD2 LYS A 588 63.915 -7.408 7.016 1.00 0.00 H new ATOM 0 HD3 LYS A 588 65.222 -8.394 7.640 1.00 0.00 H new ATOM 0 HE2 LYS A 588 65.023 -7.033 9.839 1.00 0.00 H new ATOM 0 HE3 LYS A 588 63.536 -6.370 9.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 588 63.103 -8.336 10.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 588 62.676 -8.633 8.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 588 64.116 -9.276 9.549 1.00 0.00 H new ATOM 764 N GLU A 589 62.516 -3.562 8.596 1.00 0.00 N ATOM 765 CA GLU A 589 61.794 -2.389 9.161 1.00 0.00 C ATOM 766 C GLU A 589 61.997 -2.319 10.673 1.00 0.00 C ATOM 767 O GLU A 589 62.160 -3.320 11.345 1.00 0.00 O ATOM 768 CB GLU A 589 60.298 -2.497 8.838 1.00 0.00 C ATOM 769 CG GLU A 589 59.585 -3.330 9.910 1.00 0.00 C ATOM 770 CD GLU A 589 58.324 -3.962 9.315 1.00 0.00 C ATOM 771 OE1 GLU A 589 58.463 -4.856 8.496 1.00 0.00 O ATOM 772 OE2 GLU A 589 57.242 -3.542 9.688 1.00 0.00 O ATOM 0 H GLU A 589 62.441 -4.426 9.134 1.00 0.00 H new ATOM 0 HA GLU A 589 62.194 -1.479 8.713 1.00 0.00 H new ATOM 0 HB2 GLU A 589 59.857 -1.502 8.787 1.00 0.00 H new ATOM 0 HB3 GLU A 589 60.162 -2.957 7.859 1.00 0.00 H new ATOM 0 HG2 GLU A 589 60.252 -4.107 10.284 1.00 0.00 H new ATOM 0 HG3 GLU A 589 59.322 -2.700 10.759 1.00 0.00 H new ATOM 779 N GLN A 590 61.978 -1.131 11.203 1.00 0.00 N ATOM 780 CA GLN A 590 62.154 -0.942 12.664 1.00 0.00 C ATOM 781 C GLN A 590 61.470 0.364 13.056 1.00 0.00 C ATOM 782 O GLN A 590 61.408 1.290 12.276 1.00 0.00 O ATOM 783 CB GLN A 590 63.646 -0.859 12.995 1.00 0.00 C ATOM 784 CG GLN A 590 63.851 -0.980 14.507 1.00 0.00 C ATOM 785 CD GLN A 590 63.594 -2.421 14.953 1.00 0.00 C ATOM 786 OE1 GLN A 590 63.974 -3.405 14.187 1.00 0.00 O flip ATOM 787 NE2 GLN A 590 63.041 -2.654 16.009 1.00 0.00 N flip ATOM 0 H GLN A 590 61.845 -0.269 10.675 1.00 0.00 H new ATOM 0 HA GLN A 590 61.718 -1.778 13.210 1.00 0.00 H new ATOM 0 HB2 GLN A 590 64.186 -1.654 12.481 1.00 0.00 H new ATOM 0 HB3 GLN A 590 64.055 0.086 12.638 1.00 0.00 H new ATOM 0 HG2 GLN A 590 64.867 -0.684 14.770 1.00 0.00 H new ATOM 0 HG3 GLN A 590 63.176 -0.302 15.030 1.00 0.00 H new ATOM 0 HE21 GLN A 590 62.743 -1.885 16.609 1.00 0.00 H new ATOM 0 HE22 GLN A 590 62.874 -3.619 16.296 1.00 0.00 H new ATOM 796 N ASN A 591 60.956 0.449 14.249 1.00 0.00 N ATOM 797 CA ASN A 591 60.279 1.706 14.686 1.00 0.00 C ATOM 798 C ASN A 591 59.187 2.107 13.680 1.00 0.00 C ATOM 799 O ASN A 591 58.767 3.248 13.644 1.00 0.00 O ATOM 800 CB ASN A 591 61.316 2.830 14.790 1.00 0.00 C ATOM 801 CG ASN A 591 62.136 2.655 16.070 1.00 0.00 C ATOM 802 OD1 ASN A 591 61.603 2.711 17.160 1.00 0.00 O ATOM 803 ND2 ASN A 591 63.419 2.447 15.982 1.00 0.00 N ATOM 0 H ASN A 591 60.974 -0.297 14.944 1.00 0.00 H new ATOM 0 HA ASN A 591 59.815 1.538 15.658 1.00 0.00 H new ATOM 0 HB2 ASN A 591 61.973 2.814 13.920 1.00 0.00 H new ATOM 0 HB3 ASN A 591 60.817 3.799 14.795 1.00 0.00 H new ATOM 0 HD21 ASN A 591 63.976 2.331 16.829 1.00 0.00 H new ATOM 0 HD22 ASN A 591 63.866 2.400 15.067 1.00 0.00 H new ATOM 810 N ASP A 592 58.721 1.180 12.872 1.00 0.00 N ATOM 811 CA ASP A 592 57.645 1.499 11.876 1.00 0.00 C ATOM 812 C ASP A 592 58.234 2.216 10.653 1.00 0.00 C ATOM 813 O ASP A 592 57.589 3.046 10.042 1.00 0.00 O ATOM 814 CB ASP A 592 56.582 2.396 12.525 1.00 0.00 C ATOM 815 CG ASP A 592 55.213 2.113 11.900 1.00 0.00 C ATOM 816 OD1 ASP A 592 54.904 2.729 10.893 1.00 0.00 O ATOM 817 OD2 ASP A 592 54.497 1.287 12.441 1.00 0.00 O ATOM 0 H ASP A 592 59.042 0.212 12.860 1.00 0.00 H new ATOM 0 HA ASP A 592 57.190 0.563 11.552 1.00 0.00 H new ATOM 0 HB2 ASP A 592 56.546 2.214 13.599 1.00 0.00 H new ATOM 0 HB3 ASP A 592 56.845 3.445 12.388 1.00 0.00 H new ATOM 822 N LYS A 593 59.446 1.899 10.281 1.00 0.00 N ATOM 823 CA LYS A 593 60.057 2.560 9.088 1.00 0.00 C ATOM 824 C LYS A 593 60.984 1.563 8.383 1.00 0.00 C ATOM 825 O LYS A 593 61.494 0.647 8.997 1.00 0.00 O ATOM 826 CB LYS A 593 60.848 3.813 9.505 1.00 0.00 C ATOM 827 CG LYS A 593 60.993 3.889 11.030 1.00 0.00 C ATOM 828 CD LYS A 593 61.370 5.316 11.441 1.00 0.00 C ATOM 829 CE LYS A 593 60.110 6.185 11.509 1.00 0.00 C ATOM 830 NZ LYS A 593 59.239 5.714 12.624 1.00 0.00 N ATOM 0 H LYS A 593 60.039 1.213 10.749 1.00 0.00 H new ATOM 0 HA LYS A 593 59.264 2.871 8.408 1.00 0.00 H new ATOM 0 HB2 LYS A 593 61.835 3.795 9.043 1.00 0.00 H new ATOM 0 HB3 LYS A 593 60.341 4.706 9.139 1.00 0.00 H new ATOM 0 HG2 LYS A 593 60.059 3.597 11.509 1.00 0.00 H new ATOM 0 HG3 LYS A 593 61.757 3.189 11.368 1.00 0.00 H new ATOM 0 HD2 LYS A 593 61.869 5.306 12.410 1.00 0.00 H new ATOM 0 HD3 LYS A 593 62.075 5.737 10.724 1.00 0.00 H new ATOM 0 HE2 LYS A 593 60.383 7.229 11.663 1.00 0.00 H new ATOM 0 HE3 LYS A 593 59.569 6.134 10.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 593 58.258 5.633 12.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 593 59.569 4.785 12.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 593 59.281 6.395 13.409 1.00 0.00 H new ATOM 844 N PRO A 594 61.188 1.730 7.095 1.00 0.00 N ATOM 845 CA PRO A 594 62.056 0.807 6.306 1.00 0.00 C ATOM 846 C PRO A 594 63.536 0.938 6.644 1.00 0.00 C ATOM 847 O PRO A 594 63.998 1.961 7.108 1.00 0.00 O ATOM 848 CB PRO A 594 61.805 1.278 4.879 1.00 0.00 C ATOM 849 CG PRO A 594 61.253 2.698 4.961 1.00 0.00 C ATOM 850 CD PRO A 594 60.578 2.851 6.327 1.00 0.00 C ATOM 0 HA PRO A 594 61.823 -0.240 6.498 1.00 0.00 H new ATOM 0 HB2 PRO A 594 62.728 1.257 4.299 1.00 0.00 H new ATOM 0 HB3 PRO A 594 61.098 0.619 4.376 1.00 0.00 H new ATOM 0 HG2 PRO A 594 62.054 3.428 4.845 1.00 0.00 H new ATOM 0 HG3 PRO A 594 60.539 2.879 4.158 1.00 0.00 H new ATOM 0 HD2 PRO A 594 60.788 3.820 6.781 1.00 0.00 H new ATOM 0 HD3 PRO A 594 59.494 2.759 6.260 1.00 0.00 H new ATOM 858 N TYR A 595 64.270 -0.103 6.390 1.00 0.00 N ATOM 859 CA TYR A 595 65.731 -0.106 6.662 1.00 0.00 C ATOM 860 C TYR A 595 66.355 -1.231 5.845 1.00 0.00 C ATOM 861 O TYR A 595 65.950 -2.371 5.958 1.00 0.00 O ATOM 862 CB TYR A 595 65.981 -0.376 8.151 1.00 0.00 C ATOM 863 CG TYR A 595 65.584 0.828 8.971 1.00 0.00 C ATOM 864 CD1 TYR A 595 64.489 0.753 9.838 1.00 0.00 C ATOM 865 CD2 TYR A 595 66.309 2.019 8.862 1.00 0.00 C ATOM 866 CE1 TYR A 595 64.119 1.869 10.596 1.00 0.00 C ATOM 867 CE2 TYR A 595 65.938 3.136 9.621 1.00 0.00 C ATOM 868 CZ TYR A 595 64.843 3.060 10.487 1.00 0.00 C ATOM 869 OH TYR A 595 64.476 4.161 11.234 1.00 0.00 O ATOM 0 H TYR A 595 63.911 -0.973 5.996 1.00 0.00 H new ATOM 0 HA TYR A 595 66.165 0.858 6.396 1.00 0.00 H new ATOM 0 HB2 TYR A 595 65.410 -1.248 8.471 1.00 0.00 H new ATOM 0 HB3 TYR A 595 67.034 -0.606 8.315 1.00 0.00 H new ATOM 0 HD1 TYR A 595 63.929 -0.167 9.922 1.00 0.00 H new ATOM 0 HD2 TYR A 595 67.155 2.077 8.193 1.00 0.00 H new ATOM 0 HE1 TYR A 595 63.274 1.811 11.266 1.00 0.00 H new ATOM 0 HE2 TYR A 595 66.498 4.056 9.537 1.00 0.00 H new ATOM 0 HH TYR A 595 65.084 4.905 11.040 1.00 0.00 H new ATOM 879 N CYS A 596 67.329 -0.940 5.025 1.00 0.00 N ATOM 880 CA CYS A 596 67.952 -2.028 4.223 1.00 0.00 C ATOM 881 C CYS A 596 68.342 -3.154 5.169 1.00 0.00 C ATOM 882 O CYS A 596 68.735 -2.919 6.295 1.00 0.00 O ATOM 883 CB CYS A 596 69.204 -1.520 3.503 1.00 0.00 C ATOM 884 SG CYS A 596 69.010 0.227 3.076 1.00 0.00 S ATOM 0 H CYS A 596 67.715 -0.008 4.878 1.00 0.00 H new ATOM 0 HA CYS A 596 67.241 -2.378 3.474 1.00 0.00 H new ATOM 0 HB2 CYS A 596 70.078 -1.652 4.141 1.00 0.00 H new ATOM 0 HB3 CYS A 596 69.377 -2.106 2.600 1.00 0.00 H new ATOM 889 N GLN A 597 68.236 -4.369 4.728 1.00 0.00 N ATOM 890 CA GLN A 597 68.604 -5.511 5.604 1.00 0.00 C ATOM 891 C GLN A 597 69.991 -5.240 6.189 1.00 0.00 C ATOM 892 O GLN A 597 70.256 -5.524 7.339 1.00 0.00 O ATOM 893 CB GLN A 597 68.595 -6.786 4.757 1.00 0.00 C ATOM 894 CG GLN A 597 69.720 -7.740 5.180 1.00 0.00 C ATOM 895 CD GLN A 597 69.538 -8.166 6.643 1.00 0.00 C ATOM 896 OE1 GLN A 597 68.402 -7.944 7.247 1.00 0.00 O flip ATOM 897 NE2 GLN A 597 70.445 -8.708 7.242 1.00 0.00 N flip ATOM 0 H GLN A 597 67.910 -4.624 3.796 1.00 0.00 H new ATOM 0 HA GLN A 597 67.898 -5.633 6.426 1.00 0.00 H new ATOM 0 HB2 GLN A 597 67.632 -7.287 4.859 1.00 0.00 H new ATOM 0 HB3 GLN A 597 68.710 -6.528 3.704 1.00 0.00 H new ATOM 0 HG2 GLN A 597 69.721 -8.619 4.536 1.00 0.00 H new ATOM 0 HG3 GLN A 597 70.686 -7.252 5.054 1.00 0.00 H new ATOM 0 HE21 GLN A 597 71.334 -8.883 6.773 1.00 0.00 H new ATOM 0 HE22 GLN A 597 70.318 -8.989 8.214 1.00 0.00 H new ATOM 906 N ASN A 598 70.859 -4.653 5.410 1.00 0.00 N ATOM 907 CA ASN A 598 72.217 -4.318 5.919 1.00 0.00 C ATOM 908 C ASN A 598 72.057 -3.259 7.000 1.00 0.00 C ATOM 909 O ASN A 598 72.629 -3.346 8.067 1.00 0.00 O ATOM 910 CB ASN A 598 73.093 -3.761 4.792 1.00 0.00 C ATOM 911 CG ASN A 598 72.232 -3.068 3.736 1.00 0.00 C ATOM 912 OD1 ASN A 598 71.477 -3.792 2.961 1.00 0.00 O flip ATOM 913 ND2 ASN A 598 72.252 -1.860 3.613 1.00 0.00 N flip ATOM 0 H ASN A 598 70.684 -4.391 4.440 1.00 0.00 H new ATOM 0 HA ASN A 598 72.696 -5.214 6.313 1.00 0.00 H new ATOM 0 HB2 ASN A 598 73.816 -3.055 5.201 1.00 0.00 H new ATOM 0 HB3 ASN A 598 73.662 -4.569 4.332 1.00 0.00 H new ATOM 0 HD21 ASN A 598 72.844 -1.295 4.222 1.00 0.00 H new ATOM 0 HD22 ASN A 598 71.676 -1.410 2.901 1.00 0.00 H new ATOM 920 N CYS A 599 71.251 -2.270 6.724 1.00 0.00 N ATOM 921 CA CYS A 599 71.002 -1.197 7.728 1.00 0.00 C ATOM 922 C CYS A 599 70.396 -1.844 8.972 1.00 0.00 C ATOM 923 O CYS A 599 70.977 -1.815 10.029 1.00 0.00 O ATOM 924 CB CYS A 599 70.025 -0.163 7.159 1.00 0.00 C ATOM 925 SG CYS A 599 70.926 1.048 6.159 1.00 0.00 S ATOM 0 H CYS A 599 70.752 -2.159 5.841 1.00 0.00 H new ATOM 0 HA CYS A 599 71.936 -0.692 7.976 1.00 0.00 H new ATOM 0 HB2 CYS A 599 69.269 -0.660 6.551 1.00 0.00 H new ATOM 0 HB3 CYS A 599 69.501 0.341 7.971 1.00 0.00 H new ATOM 930 N PHE A 600 69.244 -2.457 8.839 1.00 0.00 N ATOM 931 CA PHE A 600 68.605 -3.141 10.007 1.00 0.00 C ATOM 932 C PHE A 600 69.657 -4.019 10.681 1.00 0.00 C ATOM 933 O PHE A 600 69.834 -3.993 11.882 1.00 0.00 O ATOM 934 CB PHE A 600 67.451 -4.006 9.490 1.00 0.00 C ATOM 935 CG PHE A 600 66.989 -4.979 10.552 1.00 0.00 C ATOM 936 CD1 PHE A 600 67.646 -6.207 10.710 1.00 0.00 C ATOM 937 CD2 PHE A 600 65.896 -4.661 11.368 1.00 0.00 C ATOM 938 CE1 PHE A 600 67.210 -7.114 11.683 1.00 0.00 C ATOM 939 CE2 PHE A 600 65.463 -5.569 12.342 1.00 0.00 C ATOM 940 CZ PHE A 600 66.119 -6.795 12.498 1.00 0.00 C ATOM 0 H PHE A 600 68.717 -2.513 7.968 1.00 0.00 H new ATOM 0 HA PHE A 600 68.220 -2.417 10.725 1.00 0.00 H new ATOM 0 HB2 PHE A 600 66.620 -3.368 9.189 1.00 0.00 H new ATOM 0 HB3 PHE A 600 67.770 -4.554 8.603 1.00 0.00 H new ATOM 0 HD1 PHE A 600 68.489 -6.453 10.081 1.00 0.00 H new ATOM 0 HD2 PHE A 600 65.387 -3.716 11.246 1.00 0.00 H new ATOM 0 HE1 PHE A 600 67.716 -8.060 11.804 1.00 0.00 H new ATOM 0 HE2 PHE A 600 64.622 -5.323 12.973 1.00 0.00 H new ATOM 0 HZ PHE A 600 65.783 -7.495 13.248 1.00 0.00 H new ATOM 950 N LEU A 601 70.373 -4.771 9.895 1.00 0.00 N ATOM 951 CA LEU A 601 71.449 -5.638 10.440 1.00 0.00 C ATOM 952 C LEU A 601 72.455 -4.744 11.177 1.00 0.00 C ATOM 953 O LEU A 601 73.157 -5.172 12.070 1.00 0.00 O ATOM 954 CB LEU A 601 72.120 -6.345 9.260 1.00 0.00 C ATOM 955 CG LEU A 601 73.336 -7.145 9.725 1.00 0.00 C ATOM 956 CD1 LEU A 601 72.872 -8.434 10.406 1.00 0.00 C ATOM 957 CD2 LEU A 601 74.192 -7.487 8.506 1.00 0.00 C ATOM 0 H LEU A 601 70.255 -4.821 8.883 1.00 0.00 H new ATOM 0 HA LEU A 601 71.059 -6.382 11.134 1.00 0.00 H new ATOM 0 HB2 LEU A 601 71.406 -7.010 8.775 1.00 0.00 H new ATOM 0 HB3 LEU A 601 72.426 -5.609 8.516 1.00 0.00 H new ATOM 0 HG LEU A 601 73.919 -6.558 10.435 1.00 0.00 H new ATOM 0 HD11 LEU A 601 73.740 -9.004 10.737 1.00 0.00 H new ATOM 0 HD12 LEU A 601 72.250 -8.187 11.267 1.00 0.00 H new ATOM 0 HD13 LEU A 601 72.294 -9.031 9.700 1.00 0.00 H new ATOM 0 HD21 LEU A 601 75.064 -8.059 8.823 1.00 0.00 H new ATOM 0 HD22 LEU A 601 73.605 -8.080 7.804 1.00 0.00 H new ATOM 0 HD23 LEU A 601 74.518 -6.567 8.020 1.00 0.00 H new ATOM 969 N LYS A 602 72.504 -3.496 10.799 1.00 0.00 N ATOM 970 CA LYS A 602 73.430 -2.521 11.442 1.00 0.00 C ATOM 971 C LYS A 602 72.725 -1.833 12.618 1.00 0.00 C ATOM 972 O LYS A 602 73.326 -1.559 13.638 1.00 0.00 O ATOM 973 CB LYS A 602 73.816 -1.458 10.408 1.00 0.00 C ATOM 974 CG LYS A 602 75.308 -1.150 10.506 1.00 0.00 C ATOM 975 CD LYS A 602 76.119 -2.293 9.883 1.00 0.00 C ATOM 976 CE LYS A 602 76.028 -2.219 8.356 1.00 0.00 C ATOM 977 NZ LYS A 602 77.196 -2.924 7.755 1.00 0.00 N ATOM 0 H LYS A 602 71.928 -3.103 10.055 1.00 0.00 H new ATOM 0 HA LYS A 602 74.316 -3.042 11.805 1.00 0.00 H new ATOM 0 HB2 LYS A 602 73.574 -1.810 9.405 1.00 0.00 H new ATOM 0 HB3 LYS A 602 73.237 -0.550 10.575 1.00 0.00 H new ATOM 0 HG2 LYS A 602 75.529 -0.214 9.993 1.00 0.00 H new ATOM 0 HG3 LYS A 602 75.593 -1.017 11.550 1.00 0.00 H new ATOM 0 HD2 LYS A 602 77.160 -2.227 10.198 1.00 0.00 H new ATOM 0 HD3 LYS A 602 75.740 -3.253 10.233 1.00 0.00 H new ATOM 0 HE2 LYS A 602 75.099 -2.675 8.014 1.00 0.00 H new ATOM 0 HE3 LYS A 602 76.011 -1.178 8.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 602 77.135 -2.874 6.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 602 78.076 -2.470 8.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 602 77.192 -3.920 8.055 1.00 0.00 H new ATOM 991 N LEU A 603 71.460 -1.534 12.472 1.00 0.00 N ATOM 992 CA LEU A 603 70.715 -0.848 13.568 1.00 0.00 C ATOM 993 C LEU A 603 70.222 -1.880 14.582 1.00 0.00 C ATOM 994 O LEU A 603 70.501 -1.791 15.762 1.00 0.00 O ATOM 995 CB LEU A 603 69.502 -0.101 12.993 1.00 0.00 C ATOM 996 CG LEU A 603 69.826 0.499 11.618 1.00 0.00 C ATOM 997 CD1 LEU A 603 68.656 1.371 11.157 1.00 0.00 C ATOM 998 CD2 LEU A 603 71.095 1.356 11.698 1.00 0.00 C ATOM 0 H LEU A 603 70.910 -1.737 11.637 1.00 0.00 H new ATOM 0 HA LEU A 603 71.385 -0.139 14.055 1.00 0.00 H new ATOM 0 HB2 LEU A 603 68.658 -0.785 12.905 1.00 0.00 H new ATOM 0 HB3 LEU A 603 69.201 0.692 13.678 1.00 0.00 H new ATOM 0 HG LEU A 603 69.989 -0.311 10.907 1.00 0.00 H new ATOM 0 HD11 LEU A 603 68.884 1.799 10.180 1.00 0.00 H new ATOM 0 HD12 LEU A 603 67.755 0.762 11.086 1.00 0.00 H new ATOM 0 HD13 LEU A 603 68.495 2.174 11.876 1.00 0.00 H new ATOM 0 HD21 LEU A 603 71.313 1.775 10.716 1.00 0.00 H new ATOM 0 HD22 LEU A 603 70.943 2.165 12.413 1.00 0.00 H new ATOM 0 HD23 LEU A 603 71.932 0.738 12.023 1.00 0.00 H new ATOM 1010 N PHE A 604 69.480 -2.851 14.126 1.00 0.00 N ATOM 1011 CA PHE A 604 68.944 -3.892 15.048 1.00 0.00 C ATOM 1012 C PHE A 604 70.064 -4.840 15.481 1.00 0.00 C ATOM 1013 O PHE A 604 69.946 -5.535 16.472 1.00 0.00 O ATOM 1014 CB PHE A 604 67.855 -4.689 14.328 1.00 0.00 C ATOM 1015 CG PHE A 604 66.948 -5.342 15.345 1.00 0.00 C ATOM 1016 CD1 PHE A 604 66.008 -4.572 16.041 1.00 0.00 C ATOM 1017 CD2 PHE A 604 67.045 -6.717 15.591 1.00 0.00 C ATOM 1018 CE1 PHE A 604 65.167 -5.176 16.983 1.00 0.00 C ATOM 1019 CE2 PHE A 604 66.204 -7.321 16.533 1.00 0.00 C ATOM 1020 CZ PHE A 604 65.265 -6.550 17.229 1.00 0.00 C ATOM 0 H PHE A 604 69.220 -2.969 13.147 1.00 0.00 H new ATOM 0 HA PHE A 604 68.528 -3.408 15.931 1.00 0.00 H new ATOM 0 HB2 PHE A 604 67.277 -4.030 13.680 1.00 0.00 H new ATOM 0 HB3 PHE A 604 68.308 -5.448 13.689 1.00 0.00 H new ATOM 0 HD1 PHE A 604 65.932 -3.512 15.851 1.00 0.00 H new ATOM 0 HD2 PHE A 604 67.769 -7.312 15.054 1.00 0.00 H new ATOM 0 HE1 PHE A 604 64.443 -4.582 17.520 1.00 0.00 H new ATOM 0 HE2 PHE A 604 66.279 -8.381 16.723 1.00 0.00 H new ATOM 0 HZ PHE A 604 64.616 -7.016 17.956 1.00 0.00 H new ATOM 1030 N CYS A 605 71.144 -4.880 14.747 1.00 0.00 N ATOM 1031 CA CYS A 605 72.266 -5.793 15.121 1.00 0.00 C ATOM 1032 C CYS A 605 73.609 -5.121 14.806 1.00 0.00 C ATOM 1033 O CYS A 605 73.654 -3.904 14.810 1.00 0.00 O ATOM 1034 CB CYS A 605 72.135 -7.103 14.335 1.00 0.00 C ATOM 1035 SG CYS A 605 72.919 -8.445 15.262 1.00 0.00 S ATOM 1036 OXT CYS A 605 74.573 -5.836 14.575 1.00 0.00 O ATOM 0 H CYS A 605 71.299 -4.322 13.907 1.00 0.00 H new ATOM 0 HA CYS A 605 72.223 -6.008 16.189 1.00 0.00 H new ATOM 0 HB2 CYS A 605 71.083 -7.332 14.162 1.00 0.00 H new ATOM 0 HB3 CYS A 605 72.604 -7.001 13.356 1.00 0.00 H new ATOM 0 HG CYS A 605 72.806 -9.556 14.596 1.00 0.00 H new TER 1042 CYS A 605 HETATM 1043 ZN ZN A 701 56.911 7.709 -5.983 1.00 0.00 ZN HETATM 1044 ZN ZN A 702 69.461 1.890 4.597 1.00 0.00 ZN