USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=21 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 :FLIP amide:sc= -0.983 F(o=-4.2!,f=-0.98) USER MOD Set 1.2: A 602 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 583 ASN :FLIP amide:sc= 0.459 F(o=0.54,f=1.5) USER MOD Set 2.2: A 586 THR OG1 : rot -57:sc= 1.02 USER MOD Single : A 541 TYR OH : rot 180:sc= 0 USER MOD Single : A 542 HIS : no HD1:sc= -0.144 K(o=-0.14,f=-0.73) USER MOD Single : A 547 SER OG : rot 51:sc= -0.159 USER MOD Single : A 550 SER OG : rot -60:sc= -0.127 USER MOD Single : A 553 GLN :FLIP amide:sc= -2.38 F(o=-5.4!,f=-2.4) USER MOD Single : A 554 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0107) USER MOD Single : A 557 THR OG1 : rot 40:sc= 0.485 USER MOD Single : A 560 CYS SG : rot 22:sc= 0.719 USER MOD Single : A 562 THR OG1 : rot 180:sc= 0 USER MOD Single : A 564 MET CE :methyl -159:sc= -0.168 (180deg=-1.27) USER MOD Single : A 566 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 567 LYS NZ :NH3+ -108:sc= 0.159 (180deg=-1.64!) USER MOD Single : A 580 LYS NZ :NH3+ 156:sc=-0.00706 (180deg=-0.211) USER MOD Single : A 581 GLN :FLIP amide:sc= 0 F(o=-0.54,f=0) USER MOD Single : A 584 LYS NZ :NH3+ -116:sc= 1.01 (180deg=-1.13) USER MOD Single : A 588 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 590 GLN :FLIP amide:sc= -0.535 F(o=-2.5,f=-0.53) USER MOD Single : A 591 ASN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 593 LYS NZ :NH3+ -108:sc= -0.247 (180deg=-1.27) USER MOD Single : A 595 TYR OH : rot 30:sc= 0 USER MOD Single : A 597 GLN :FLIP amide:sc= -2.09! C(o=-4.1!,f=-2.1!) USER MOD Single : A 605 CYS SG : rot 180:sc= -0.0317 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 541 36.781 -3.740 -17.510 1.00 0.00 N ATOM 2 CA TYR A 541 37.947 -3.108 -18.190 1.00 0.00 C ATOM 3 C TYR A 541 37.628 -1.638 -18.485 1.00 0.00 C ATOM 4 O TYR A 541 37.406 -1.254 -19.617 1.00 0.00 O ATOM 5 CB TYR A 541 38.235 -3.846 -19.502 1.00 0.00 C ATOM 6 CG TYR A 541 38.571 -5.291 -19.209 1.00 0.00 C ATOM 7 CD1 TYR A 541 37.571 -6.270 -19.274 1.00 0.00 C ATOM 8 CD2 TYR A 541 39.882 -5.651 -18.873 1.00 0.00 C ATOM 9 CE1 TYR A 541 37.883 -7.607 -19.003 1.00 0.00 C ATOM 10 CE2 TYR A 541 40.193 -6.988 -18.602 1.00 0.00 C ATOM 11 CZ TYR A 541 39.193 -7.966 -18.667 1.00 0.00 C ATOM 12 OH TYR A 541 39.500 -9.285 -18.400 1.00 0.00 O ATOM 0 HA TYR A 541 38.823 -3.166 -17.544 1.00 0.00 H new ATOM 0 HB2 TYR A 541 37.368 -3.790 -20.160 1.00 0.00 H new ATOM 0 HB3 TYR A 541 39.064 -3.368 -20.025 1.00 0.00 H new ATOM 0 HD1 TYR A 541 36.560 -5.993 -19.533 1.00 0.00 H new ATOM 0 HD2 TYR A 541 40.653 -4.896 -18.823 1.00 0.00 H new ATOM 0 HE1 TYR A 541 37.112 -8.362 -19.053 1.00 0.00 H new ATOM 0 HE2 TYR A 541 41.204 -7.266 -18.343 1.00 0.00 H new ATOM 0 HH TYR A 541 40.453 -9.362 -18.185 1.00 0.00 H new ATOM 22 N HIS A 542 37.601 -0.814 -17.470 1.00 0.00 N ATOM 23 CA HIS A 542 37.295 0.632 -17.683 1.00 0.00 C ATOM 24 C HIS A 542 37.791 1.439 -16.483 1.00 0.00 C ATOM 25 O HIS A 542 38.448 2.452 -16.631 1.00 0.00 O ATOM 26 CB HIS A 542 35.782 0.818 -17.833 1.00 0.00 C ATOM 27 CG HIS A 542 35.503 2.089 -18.588 1.00 0.00 C ATOM 28 ND1 HIS A 542 35.919 3.328 -18.128 1.00 0.00 N ATOM 29 CD2 HIS A 542 34.853 2.329 -19.773 1.00 0.00 C ATOM 30 CE1 HIS A 542 35.518 4.249 -19.023 1.00 0.00 C ATOM 31 NE2 HIS A 542 34.863 3.693 -20.046 1.00 0.00 N ATOM 0 H HIS A 542 37.778 -1.080 -16.501 1.00 0.00 H new ATOM 0 HA HIS A 542 37.795 0.980 -18.587 1.00 0.00 H new ATOM 0 HB2 HIS A 542 35.351 -0.033 -18.361 1.00 0.00 H new ATOM 0 HB3 HIS A 542 35.311 0.855 -16.851 1.00 0.00 H new ATOM 0 HD2 HIS A 542 34.402 1.573 -20.399 1.00 0.00 H new ATOM 0 HE1 HIS A 542 35.703 5.309 -18.926 1.00 0.00 H new ATOM 0 HE2 HIS A 542 34.458 4.167 -20.853 1.00 0.00 H new ATOM 39 N GLU A 543 37.478 0.994 -15.297 1.00 0.00 N ATOM 40 CA GLU A 543 37.923 1.724 -14.074 1.00 0.00 C ATOM 41 C GLU A 543 39.452 1.705 -13.994 1.00 0.00 C ATOM 42 O GLU A 543 40.095 0.785 -14.461 1.00 0.00 O ATOM 43 CB GLU A 543 37.338 1.044 -12.831 1.00 0.00 C ATOM 44 CG GLU A 543 36.135 1.844 -12.322 1.00 0.00 C ATOM 45 CD GLU A 543 35.932 1.569 -10.830 1.00 0.00 C ATOM 46 OE1 GLU A 543 35.117 0.720 -10.509 1.00 0.00 O ATOM 47 OE2 GLU A 543 36.599 2.209 -10.034 1.00 0.00 O ATOM 0 H GLU A 543 36.930 0.152 -15.121 1.00 0.00 H new ATOM 0 HA GLU A 543 37.575 2.756 -14.122 1.00 0.00 H new ATOM 0 HB2 GLU A 543 37.034 0.025 -13.071 1.00 0.00 H new ATOM 0 HB3 GLU A 543 38.097 0.975 -12.052 1.00 0.00 H new ATOM 0 HG2 GLU A 543 36.297 2.909 -12.487 1.00 0.00 H new ATOM 0 HG3 GLU A 543 35.239 1.568 -12.879 1.00 0.00 H new ATOM 54 N ARG A 544 40.035 2.719 -13.407 1.00 0.00 N ATOM 55 CA ARG A 544 41.522 2.770 -13.296 1.00 0.00 C ATOM 56 C ARG A 544 41.917 3.228 -11.890 1.00 0.00 C ATOM 57 O ARG A 544 41.697 4.363 -11.513 1.00 0.00 O ATOM 58 CB ARG A 544 42.077 3.751 -14.329 1.00 0.00 C ATOM 59 CG ARG A 544 41.974 3.130 -15.723 1.00 0.00 C ATOM 60 CD ARG A 544 42.993 1.993 -15.858 1.00 0.00 C ATOM 61 NE ARG A 544 43.598 2.005 -17.231 1.00 0.00 N ATOM 62 CZ ARG A 544 42.855 2.115 -18.305 1.00 0.00 C ATOM 63 NH1 ARG A 544 43.424 2.207 -19.474 1.00 0.00 N ATOM 64 NH2 ARG A 544 41.553 2.097 -18.221 1.00 0.00 N ATOM 0 H ARG A 544 39.544 3.515 -13.000 1.00 0.00 H new ATOM 0 HA ARG A 544 41.933 1.778 -13.481 1.00 0.00 H new ATOM 0 HB2 ARG A 544 41.520 4.688 -14.294 1.00 0.00 H new ATOM 0 HB3 ARG A 544 43.116 3.989 -14.100 1.00 0.00 H new ATOM 0 HG2 ARG A 544 40.966 2.750 -15.889 1.00 0.00 H new ATOM 0 HG3 ARG A 544 42.158 3.888 -16.484 1.00 0.00 H new ATOM 0 HD2 ARG A 544 43.775 2.103 -15.106 1.00 0.00 H new ATOM 0 HD3 ARG A 544 42.507 1.035 -15.674 1.00 0.00 H new ATOM 0 HE ARG A 544 44.610 1.926 -17.331 1.00 0.00 H new ATOM 0 HH11 ARG A 544 44.441 2.193 -19.549 1.00 0.00 H new ATOM 0 HH12 ARG A 544 42.852 2.293 -20.314 1.00 0.00 H new ATOM 0 HH21 ARG A 544 41.102 1.996 -17.312 1.00 0.00 H new ATOM 0 HH22 ARG A 544 40.986 2.184 -19.065 1.00 0.00 H new ATOM 78 N ARG A 545 42.504 2.353 -11.115 1.00 0.00 N ATOM 79 CA ARG A 545 42.925 2.726 -9.731 1.00 0.00 C ATOM 80 C ARG A 545 44.435 2.524 -9.601 1.00 0.00 C ATOM 81 O ARG A 545 45.188 2.813 -10.511 1.00 0.00 O ATOM 82 CB ARG A 545 42.210 1.837 -8.712 1.00 0.00 C ATOM 83 CG ARG A 545 40.789 1.544 -9.188 1.00 0.00 C ATOM 84 CD ARG A 545 39.978 0.961 -8.030 1.00 0.00 C ATOM 85 NE ARG A 545 38.530 0.942 -8.389 1.00 0.00 N ATOM 86 CZ ARG A 545 37.685 0.232 -7.687 1.00 0.00 C ATOM 87 NH1 ARG A 545 36.422 0.220 -8.007 1.00 0.00 N ATOM 88 NH2 ARG A 545 38.101 -0.464 -6.665 1.00 0.00 N ATOM 0 H ARG A 545 42.711 1.391 -11.383 1.00 0.00 H new ATOM 0 HA ARG A 545 42.667 3.768 -9.541 1.00 0.00 H new ATOM 0 HB2 ARG A 545 42.759 0.904 -8.581 1.00 0.00 H new ATOM 0 HB3 ARG A 545 42.183 2.331 -7.741 1.00 0.00 H new ATOM 0 HG2 ARG A 545 40.319 2.458 -9.552 1.00 0.00 H new ATOM 0 HG3 ARG A 545 40.810 0.842 -10.022 1.00 0.00 H new ATOM 0 HD2 ARG A 545 40.320 -0.049 -7.806 1.00 0.00 H new ATOM 0 HD3 ARG A 545 40.132 1.556 -7.130 1.00 0.00 H new ATOM 0 HE ARG A 545 38.197 1.485 -9.186 1.00 0.00 H new ATOM 0 HH11 ARG A 545 36.093 0.764 -8.805 1.00 0.00 H new ATOM 0 HH12 ARG A 545 35.763 -0.333 -7.460 1.00 0.00 H new ATOM 0 HH21 ARG A 545 39.089 -0.456 -6.411 1.00 0.00 H new ATOM 0 HH22 ARG A 545 37.439 -1.016 -6.120 1.00 0.00 H new ATOM 102 N GLY A 546 44.882 2.020 -8.480 1.00 0.00 N ATOM 103 CA GLY A 546 46.339 1.789 -8.293 1.00 0.00 C ATOM 104 C GLY A 546 46.715 2.011 -6.827 1.00 0.00 C ATOM 105 O GLY A 546 46.078 1.498 -5.928 1.00 0.00 O ATOM 0 H GLY A 546 44.297 1.759 -7.686 1.00 0.00 H new ATOM 0 HA2 GLY A 546 46.597 0.774 -8.594 1.00 0.00 H new ATOM 0 HA3 GLY A 546 46.908 2.465 -8.930 1.00 0.00 H new ATOM 109 N SER A 547 47.749 2.770 -6.582 1.00 0.00 N ATOM 110 CA SER A 547 48.181 3.031 -5.177 1.00 0.00 C ATOM 111 C SER A 547 49.162 4.202 -5.167 1.00 0.00 C ATOM 112 O SER A 547 50.169 4.178 -5.842 1.00 0.00 O ATOM 113 CB SER A 547 48.869 1.783 -4.618 1.00 0.00 C ATOM 114 OG SER A 547 48.070 1.231 -3.580 1.00 0.00 O ATOM 0 H SER A 547 48.317 3.223 -7.298 1.00 0.00 H new ATOM 0 HA SER A 547 47.314 3.273 -4.562 1.00 0.00 H new ATOM 0 HB2 SER A 547 49.015 1.048 -5.410 1.00 0.00 H new ATOM 0 HB3 SER A 547 49.857 2.039 -4.235 1.00 0.00 H new ATOM 0 HG SER A 547 47.150 1.119 -3.899 1.00 0.00 H new ATOM 120 N LEU A 548 48.876 5.232 -4.415 1.00 0.00 N ATOM 121 CA LEU A 548 49.798 6.403 -4.381 1.00 0.00 C ATOM 122 C LEU A 548 51.097 6.021 -3.676 1.00 0.00 C ATOM 123 O LEU A 548 51.092 5.382 -2.643 1.00 0.00 O ATOM 124 CB LEU A 548 49.142 7.567 -3.632 1.00 0.00 C ATOM 125 CG LEU A 548 48.266 8.378 -4.594 1.00 0.00 C ATOM 126 CD1 LEU A 548 47.243 7.463 -5.269 1.00 0.00 C ATOM 127 CD2 LEU A 548 47.533 9.474 -3.815 1.00 0.00 C ATOM 0 H LEU A 548 48.047 5.312 -3.826 1.00 0.00 H new ATOM 0 HA LEU A 548 50.014 6.707 -5.405 1.00 0.00 H new ATOM 0 HB2 LEU A 548 48.537 7.187 -2.809 1.00 0.00 H new ATOM 0 HB3 LEU A 548 49.908 8.208 -3.195 1.00 0.00 H new ATOM 0 HG LEU A 548 48.899 8.830 -5.357 1.00 0.00 H new ATOM 0 HD11 LEU A 548 46.625 8.048 -5.950 1.00 0.00 H new ATOM 0 HD12 LEU A 548 47.763 6.685 -5.828 1.00 0.00 H new ATOM 0 HD13 LEU A 548 46.610 7.003 -4.510 1.00 0.00 H new ATOM 0 HD21 LEU A 548 46.910 10.051 -4.498 1.00 0.00 H new ATOM 0 HD22 LEU A 548 46.906 9.018 -3.049 1.00 0.00 H new ATOM 0 HD23 LEU A 548 48.261 10.134 -3.343 1.00 0.00 H new ATOM 139 N CYS A 549 52.209 6.429 -4.222 1.00 0.00 N ATOM 140 CA CYS A 549 53.516 6.119 -3.588 1.00 0.00 C ATOM 141 C CYS A 549 53.724 7.100 -2.450 1.00 0.00 C ATOM 142 O CYS A 549 53.899 8.281 -2.673 1.00 0.00 O ATOM 143 CB CYS A 549 54.638 6.281 -4.621 1.00 0.00 C ATOM 144 SG CYS A 549 56.151 6.904 -3.826 1.00 0.00 S ATOM 0 H CYS A 549 52.266 6.968 -5.086 1.00 0.00 H new ATOM 0 HA CYS A 549 53.528 5.095 -3.215 1.00 0.00 H new ATOM 0 HB2 CYS A 549 54.840 5.323 -5.100 1.00 0.00 H new ATOM 0 HB3 CYS A 549 54.322 6.969 -5.405 1.00 0.00 H new ATOM 149 N SER A 550 53.698 6.633 -1.234 1.00 0.00 N ATOM 150 CA SER A 550 53.895 7.564 -0.097 1.00 0.00 C ATOM 151 C SER A 550 55.166 8.362 -0.369 1.00 0.00 C ATOM 152 O SER A 550 56.259 7.833 -0.389 1.00 0.00 O ATOM 153 CB SER A 550 54.023 6.790 1.211 1.00 0.00 C ATOM 154 OG SER A 550 52.859 5.998 1.402 1.00 0.00 O ATOM 0 H SER A 550 53.550 5.656 -0.982 1.00 0.00 H new ATOM 0 HA SER A 550 53.039 8.232 -0.001 1.00 0.00 H new ATOM 0 HB2 SER A 550 54.909 6.155 1.187 1.00 0.00 H new ATOM 0 HB3 SER A 550 54.148 7.480 2.045 1.00 0.00 H new ATOM 0 HG SER A 550 52.071 6.579 1.442 1.00 0.00 H new ATOM 160 N GLY A 551 55.010 9.622 -0.632 1.00 0.00 N ATOM 161 CA GLY A 551 56.177 10.482 -0.970 1.00 0.00 C ATOM 162 C GLY A 551 55.881 11.153 -2.311 1.00 0.00 C ATOM 163 O GLY A 551 56.290 12.268 -2.569 1.00 0.00 O ATOM 0 H GLY A 551 54.111 10.104 -0.628 1.00 0.00 H new ATOM 0 HA2 GLY A 551 56.339 11.231 -0.194 1.00 0.00 H new ATOM 0 HA3 GLY A 551 57.087 9.886 -1.032 1.00 0.00 H new ATOM 167 N CYS A 552 55.153 10.467 -3.162 1.00 0.00 N ATOM 168 CA CYS A 552 54.796 11.033 -4.494 1.00 0.00 C ATOM 169 C CYS A 552 53.315 11.412 -4.506 1.00 0.00 C ATOM 170 O CYS A 552 52.899 12.283 -5.242 1.00 0.00 O ATOM 171 CB CYS A 552 55.033 9.976 -5.570 1.00 0.00 C ATOM 172 SG CYS A 552 56.762 10.014 -6.083 1.00 0.00 S ATOM 0 H CYS A 552 54.790 9.531 -2.984 1.00 0.00 H new ATOM 0 HA CYS A 552 55.409 11.913 -4.687 1.00 0.00 H new ATOM 0 HB2 CYS A 552 54.778 8.988 -5.186 1.00 0.00 H new ATOM 0 HB3 CYS A 552 54.385 10.162 -6.426 1.00 0.00 H new ATOM 177 N GLN A 553 52.518 10.746 -3.707 1.00 0.00 N ATOM 178 CA GLN A 553 51.054 11.041 -3.676 1.00 0.00 C ATOM 179 C GLN A 553 50.475 10.833 -5.079 1.00 0.00 C ATOM 180 O GLN A 553 49.505 11.455 -5.467 1.00 0.00 O ATOM 181 CB GLN A 553 50.820 12.485 -3.216 1.00 0.00 C ATOM 182 CG GLN A 553 51.224 12.624 -1.744 1.00 0.00 C ATOM 183 CD GLN A 553 52.749 12.702 -1.626 1.00 0.00 C ATOM 184 OE1 GLN A 553 53.358 11.975 -0.731 1.00 0.00 O flip ATOM 185 NE2 GLN A 553 53.392 13.433 -2.352 1.00 0.00 N flip ATOM 0 H GLN A 553 52.821 10.007 -3.072 1.00 0.00 H new ATOM 0 HA GLN A 553 50.558 10.370 -2.974 1.00 0.00 H new ATOM 0 HB2 GLN A 553 51.402 13.172 -3.830 1.00 0.00 H new ATOM 0 HB3 GLN A 553 49.771 12.753 -3.343 1.00 0.00 H new ATOM 0 HG2 GLN A 553 50.771 13.519 -1.317 1.00 0.00 H new ATOM 0 HG3 GLN A 553 50.850 11.774 -1.173 1.00 0.00 H new ATOM 0 HE21 GLN A 553 52.917 14.002 -3.053 1.00 0.00 H new ATOM 0 HE22 GLN A 553 54.407 13.478 -2.261 1.00 0.00 H new ATOM 194 N LYS A 554 51.069 9.943 -5.832 1.00 0.00 N ATOM 195 CA LYS A 554 50.581 9.650 -7.209 1.00 0.00 C ATOM 196 C LYS A 554 50.549 8.131 -7.383 1.00 0.00 C ATOM 197 O LYS A 554 51.421 7.437 -6.894 1.00 0.00 O ATOM 198 CB LYS A 554 51.537 10.263 -8.239 1.00 0.00 C ATOM 199 CG LYS A 554 51.473 11.792 -8.161 1.00 0.00 C ATOM 200 CD LYS A 554 50.092 12.276 -8.613 1.00 0.00 C ATOM 201 CE LYS A 554 50.142 13.777 -8.905 1.00 0.00 C ATOM 202 NZ LYS A 554 50.324 14.526 -7.629 1.00 0.00 N ATOM 0 H LYS A 554 51.883 9.400 -5.545 1.00 0.00 H new ATOM 0 HA LYS A 554 49.588 10.074 -7.357 1.00 0.00 H new ATOM 0 HB2 LYS A 554 52.555 9.922 -8.051 1.00 0.00 H new ATOM 0 HB3 LYS A 554 51.269 9.929 -9.241 1.00 0.00 H new ATOM 0 HG2 LYS A 554 51.668 12.122 -7.141 1.00 0.00 H new ATOM 0 HG3 LYS A 554 52.247 12.230 -8.791 1.00 0.00 H new ATOM 0 HD2 LYS A 554 49.779 11.732 -9.505 1.00 0.00 H new ATOM 0 HD3 LYS A 554 49.353 12.071 -7.839 1.00 0.00 H new ATOM 0 HE2 LYS A 554 50.961 13.998 -9.589 1.00 0.00 H new ATOM 0 HE3 LYS A 554 49.222 14.093 -9.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 554 50.273 15.548 -7.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 554 49.574 14.259 -6.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 554 51.252 14.295 -7.220 1.00 0.00 H new ATOM 216 N PRO A 555 49.551 7.610 -8.056 1.00 0.00 N ATOM 217 CA PRO A 555 49.429 6.142 -8.254 1.00 0.00 C ATOM 218 C PRO A 555 50.737 5.468 -8.659 1.00 0.00 C ATOM 219 O PRO A 555 51.614 6.069 -9.250 1.00 0.00 O ATOM 220 CB PRO A 555 48.398 6.045 -9.369 1.00 0.00 C ATOM 221 CG PRO A 555 47.669 7.391 -9.458 1.00 0.00 C ATOM 222 CD PRO A 555 48.476 8.435 -8.672 1.00 0.00 C ATOM 0 HA PRO A 555 49.151 5.629 -7.334 1.00 0.00 H new ATOM 0 HB2 PRO A 555 48.883 5.811 -10.317 1.00 0.00 H new ATOM 0 HB3 PRO A 555 47.691 5.241 -9.165 1.00 0.00 H new ATOM 0 HG2 PRO A 555 47.565 7.698 -10.499 1.00 0.00 H new ATOM 0 HG3 PRO A 555 46.662 7.304 -9.049 1.00 0.00 H new ATOM 0 HD2 PRO A 555 48.881 9.210 -9.323 1.00 0.00 H new ATOM 0 HD3 PRO A 555 47.867 8.937 -7.920 1.00 0.00 H new ATOM 230 N ILE A 556 50.859 4.218 -8.327 1.00 0.00 N ATOM 231 CA ILE A 556 52.088 3.457 -8.658 1.00 0.00 C ATOM 232 C ILE A 556 51.787 2.504 -9.818 1.00 0.00 C ATOM 233 O ILE A 556 51.248 1.430 -9.632 1.00 0.00 O ATOM 234 CB ILE A 556 52.512 2.672 -7.414 1.00 0.00 C ATOM 235 CG1 ILE A 556 52.982 3.658 -6.335 1.00 0.00 C ATOM 236 CG2 ILE A 556 53.651 1.713 -7.766 1.00 0.00 C ATOM 237 CD1 ILE A 556 52.858 3.015 -4.949 1.00 0.00 C ATOM 0 H ILE A 556 50.146 3.683 -7.832 1.00 0.00 H new ATOM 0 HA ILE A 556 52.894 4.127 -8.958 1.00 0.00 H new ATOM 0 HB ILE A 556 51.666 2.094 -7.042 1.00 0.00 H new ATOM 0 HG12 ILE A 556 54.017 3.947 -6.520 1.00 0.00 H new ATOM 0 HG13 ILE A 556 52.385 4.569 -6.377 1.00 0.00 H new ATOM 0 HG21 ILE A 556 53.947 1.158 -6.876 1.00 0.00 H new ATOM 0 HG22 ILE A 556 53.315 1.016 -8.534 1.00 0.00 H new ATOM 0 HG23 ILE A 556 54.503 2.281 -8.140 1.00 0.00 H new ATOM 0 HD11 ILE A 556 53.193 3.721 -4.189 1.00 0.00 H new ATOM 0 HD12 ILE A 556 51.817 2.749 -4.763 1.00 0.00 H new ATOM 0 HD13 ILE A 556 53.475 2.117 -4.908 1.00 0.00 H new ATOM 249 N THR A 557 52.125 2.899 -11.016 1.00 0.00 N ATOM 250 CA THR A 557 51.857 2.032 -12.199 1.00 0.00 C ATOM 251 C THR A 557 52.938 0.952 -12.296 1.00 0.00 C ATOM 252 O THR A 557 54.093 1.234 -12.551 1.00 0.00 O ATOM 253 CB THR A 557 51.858 2.892 -13.467 1.00 0.00 C ATOM 254 OG1 THR A 557 53.051 3.662 -13.514 1.00 0.00 O ATOM 255 CG2 THR A 557 50.643 3.826 -13.450 1.00 0.00 C ATOM 0 H THR A 557 52.577 3.789 -11.227 1.00 0.00 H new ATOM 0 HA THR A 557 50.884 1.552 -12.092 1.00 0.00 H new ATOM 0 HB THR A 557 51.808 2.249 -14.345 1.00 0.00 H new ATOM 0 HG1 THR A 557 53.805 3.116 -13.208 1.00 0.00 H new ATOM 0 HG21 THR A 557 50.642 4.439 -14.352 1.00 0.00 H new ATOM 0 HG22 THR A 557 49.729 3.233 -13.413 1.00 0.00 H new ATOM 0 HG23 THR A 557 50.692 4.471 -12.573 1.00 0.00 H new ATOM 263 N GLY A 558 52.564 -0.281 -12.075 1.00 0.00 N ATOM 264 CA GLY A 558 53.546 -1.403 -12.128 1.00 0.00 C ATOM 265 C GLY A 558 53.645 -2.013 -10.732 1.00 0.00 C ATOM 266 O GLY A 558 52.703 -1.964 -9.964 1.00 0.00 O ATOM 0 H GLY A 558 51.608 -0.561 -11.857 1.00 0.00 H new ATOM 0 HA2 GLY A 558 53.227 -2.155 -12.850 1.00 0.00 H new ATOM 0 HA3 GLY A 558 54.521 -1.041 -12.455 1.00 0.00 H new ATOM 270 N ARG A 559 54.772 -2.576 -10.384 1.00 0.00 N ATOM 271 CA ARG A 559 54.914 -3.165 -9.030 1.00 0.00 C ATOM 272 C ARG A 559 54.689 -2.076 -7.987 1.00 0.00 C ATOM 273 O ARG A 559 54.589 -0.909 -8.309 1.00 0.00 O ATOM 274 CB ARG A 559 56.317 -3.737 -8.877 1.00 0.00 C ATOM 275 CG ARG A 559 56.359 -5.120 -9.517 1.00 0.00 C ATOM 276 CD ARG A 559 56.436 -4.979 -11.035 1.00 0.00 C ATOM 277 NE ARG A 559 57.576 -5.790 -11.554 1.00 0.00 N ATOM 278 CZ ARG A 559 57.671 -6.058 -12.830 1.00 0.00 C ATOM 279 NH1 ARG A 559 58.670 -6.770 -13.270 1.00 0.00 N ATOM 280 NH2 ARG A 559 56.770 -5.618 -13.664 1.00 0.00 N ATOM 0 H ARG A 559 55.596 -2.651 -10.981 1.00 0.00 H new ATOM 0 HA ARG A 559 54.181 -3.960 -8.891 1.00 0.00 H new ATOM 0 HB2 ARG A 559 57.046 -3.080 -9.351 1.00 0.00 H new ATOM 0 HB3 ARG A 559 56.585 -3.801 -7.822 1.00 0.00 H new ATOM 0 HG2 ARG A 559 57.221 -5.676 -9.149 1.00 0.00 H new ATOM 0 HG3 ARG A 559 55.471 -5.688 -9.239 1.00 0.00 H new ATOM 0 HD2 ARG A 559 55.503 -5.312 -11.489 1.00 0.00 H new ATOM 0 HD3 ARG A 559 56.567 -3.932 -11.307 1.00 0.00 H new ATOM 0 HE ARG A 559 58.286 -6.137 -10.909 1.00 0.00 H new ATOM 0 HH11 ARG A 559 59.375 -7.116 -12.619 1.00 0.00 H new ATOM 0 HH12 ARG A 559 58.747 -6.981 -14.265 1.00 0.00 H new ATOM 0 HH21 ARG A 559 55.986 -5.062 -13.322 1.00 0.00 H new ATOM 0 HH22 ARG A 559 56.849 -5.830 -14.659 1.00 0.00 H new ATOM 294 N CYS A 560 54.608 -2.443 -6.743 1.00 0.00 N ATOM 295 CA CYS A 560 54.384 -1.419 -5.686 1.00 0.00 C ATOM 296 C CYS A 560 54.746 -1.990 -4.319 1.00 0.00 C ATOM 297 O CYS A 560 54.416 -3.114 -3.992 1.00 0.00 O ATOM 298 CB CYS A 560 52.914 -0.996 -5.691 1.00 0.00 C ATOM 299 SG CYS A 560 51.876 -2.393 -5.192 1.00 0.00 S ATOM 0 H CYS A 560 54.687 -3.404 -6.411 1.00 0.00 H new ATOM 0 HA CYS A 560 55.015 -0.554 -5.888 1.00 0.00 H new ATOM 0 HB2 CYS A 560 52.764 -0.158 -5.010 1.00 0.00 H new ATOM 0 HB3 CYS A 560 52.627 -0.654 -6.685 1.00 0.00 H new ATOM 0 HG CYS A 560 52.592 -3.249 -4.526 1.00 0.00 H new ATOM 305 N ILE A 561 55.424 -1.214 -3.521 1.00 0.00 N ATOM 306 CA ILE A 561 55.817 -1.688 -2.166 1.00 0.00 C ATOM 307 C ILE A 561 54.743 -1.284 -1.157 1.00 0.00 C ATOM 308 O ILE A 561 54.077 -0.280 -1.318 1.00 0.00 O ATOM 309 CB ILE A 561 57.150 -1.049 -1.764 1.00 0.00 C ATOM 310 CG1 ILE A 561 58.076 -0.962 -2.988 1.00 0.00 C ATOM 311 CG2 ILE A 561 57.812 -1.893 -0.671 1.00 0.00 C ATOM 312 CD1 ILE A 561 58.392 -2.367 -3.512 1.00 0.00 C ATOM 0 H ILE A 561 55.724 -0.267 -3.751 1.00 0.00 H new ATOM 0 HA ILE A 561 55.922 -2.773 -2.179 1.00 0.00 H new ATOM 0 HB ILE A 561 56.969 -0.044 -1.384 1.00 0.00 H new ATOM 0 HG12 ILE A 561 57.601 -0.372 -3.772 1.00 0.00 H new ATOM 0 HG13 ILE A 561 59.000 -0.450 -2.719 1.00 0.00 H new ATOM 0 HG21 ILE A 561 58.761 -1.439 -0.385 1.00 0.00 H new ATOM 0 HG22 ILE A 561 57.156 -1.942 0.198 1.00 0.00 H new ATOM 0 HG23 ILE A 561 57.991 -2.900 -1.047 1.00 0.00 H new ATOM 0 HD11 ILE A 561 59.049 -2.293 -4.379 1.00 0.00 H new ATOM 0 HD12 ILE A 561 58.886 -2.944 -2.731 1.00 0.00 H new ATOM 0 HD13 ILE A 561 57.466 -2.865 -3.800 1.00 0.00 H new ATOM 324 N THR A 562 54.580 -2.054 -0.115 1.00 0.00 N ATOM 325 CA THR A 562 53.561 -1.718 0.920 1.00 0.00 C ATOM 326 C THR A 562 54.231 -1.733 2.292 1.00 0.00 C ATOM 327 O THR A 562 54.544 -2.778 2.829 1.00 0.00 O ATOM 328 CB THR A 562 52.429 -2.748 0.888 1.00 0.00 C ATOM 329 OG1 THR A 562 51.817 -2.737 -0.394 1.00 0.00 O ATOM 330 CG2 THR A 562 51.387 -2.401 1.956 1.00 0.00 C ATOM 0 H THR A 562 55.112 -2.906 0.064 1.00 0.00 H new ATOM 0 HA THR A 562 53.145 -0.731 0.721 1.00 0.00 H new ATOM 0 HB THR A 562 52.835 -3.739 1.089 1.00 0.00 H new ATOM 0 HG1 THR A 562 51.093 -3.397 -0.417 1.00 0.00 H new ATOM 0 HG21 THR A 562 50.582 -3.136 1.931 1.00 0.00 H new ATOM 0 HG22 THR A 562 51.857 -2.411 2.939 1.00 0.00 H new ATOM 0 HG23 THR A 562 50.980 -1.410 1.758 1.00 0.00 H new ATOM 338 N ALA A 563 54.456 -0.581 2.858 1.00 0.00 N ATOM 339 CA ALA A 563 55.111 -0.518 4.195 1.00 0.00 C ATOM 340 C ALA A 563 54.037 -0.539 5.285 1.00 0.00 C ATOM 341 O ALA A 563 53.160 -1.382 5.280 1.00 0.00 O ATOM 342 CB ALA A 563 55.936 0.768 4.289 1.00 0.00 C ATOM 0 H ALA A 563 54.214 0.323 2.452 1.00 0.00 H new ATOM 0 HA ALA A 563 55.770 -1.376 4.330 1.00 0.00 H new ATOM 0 HB1 ALA A 563 56.418 0.820 5.265 1.00 0.00 H new ATOM 0 HB2 ALA A 563 56.696 0.770 3.508 1.00 0.00 H new ATOM 0 HB3 ALA A 563 55.282 1.630 4.161 1.00 0.00 H new ATOM 348 N MET A 564 54.090 0.384 6.210 1.00 0.00 N ATOM 349 CA MET A 564 53.063 0.425 7.289 1.00 0.00 C ATOM 350 C MET A 564 51.751 0.913 6.680 1.00 0.00 C ATOM 351 O MET A 564 51.235 1.956 7.035 1.00 0.00 O ATOM 352 CB MET A 564 53.507 1.399 8.378 1.00 0.00 C ATOM 353 CG MET A 564 54.791 0.890 9.038 1.00 0.00 C ATOM 354 SD MET A 564 55.292 2.041 10.343 1.00 0.00 S ATOM 355 CE MET A 564 56.250 0.867 11.332 1.00 0.00 C ATOM 0 H MET A 564 54.802 1.112 6.263 1.00 0.00 H new ATOM 0 HA MET A 564 52.935 -0.566 7.726 1.00 0.00 H new ATOM 0 HB2 MET A 564 53.675 2.387 7.949 1.00 0.00 H new ATOM 0 HB3 MET A 564 52.721 1.506 9.125 1.00 0.00 H new ATOM 0 HG2 MET A 564 54.629 -0.103 9.456 1.00 0.00 H new ATOM 0 HG3 MET A 564 55.583 0.798 8.295 1.00 0.00 H new ATOM 0 HE1 MET A 564 56.342 1.240 12.352 1.00 0.00 H new ATOM 0 HE2 MET A 564 55.743 -0.098 11.343 1.00 0.00 H new ATOM 0 HE3 MET A 564 57.243 0.750 10.897 1.00 0.00 H new ATOM 365 N ALA A 565 51.239 0.176 5.734 1.00 0.00 N ATOM 366 CA ALA A 565 49.981 0.578 5.039 1.00 0.00 C ATOM 367 C ALA A 565 50.322 1.683 4.037 1.00 0.00 C ATOM 368 O ALA A 565 49.522 2.048 3.198 1.00 0.00 O ATOM 369 CB ALA A 565 48.946 1.087 6.051 1.00 0.00 C ATOM 0 H ALA A 565 51.644 -0.701 5.407 1.00 0.00 H new ATOM 0 HA ALA A 565 49.552 -0.282 4.524 1.00 0.00 H new ATOM 0 HB1 ALA A 565 48.035 1.376 5.526 1.00 0.00 H new ATOM 0 HB2 ALA A 565 48.718 0.297 6.766 1.00 0.00 H new ATOM 0 HB3 ALA A 565 49.349 1.951 6.580 1.00 0.00 H new ATOM 375 N LYS A 566 51.522 2.203 4.119 1.00 0.00 N ATOM 376 CA LYS A 566 51.955 3.275 3.181 1.00 0.00 C ATOM 377 C LYS A 566 52.584 2.629 1.948 1.00 0.00 C ATOM 378 O LYS A 566 53.394 1.728 2.055 1.00 0.00 O ATOM 379 CB LYS A 566 52.993 4.163 3.873 1.00 0.00 C ATOM 380 CG LYS A 566 52.314 5.418 4.427 1.00 0.00 C ATOM 381 CD LYS A 566 53.366 6.325 5.071 1.00 0.00 C ATOM 382 CE LYS A 566 53.713 5.801 6.469 1.00 0.00 C ATOM 383 NZ LYS A 566 55.162 6.024 6.739 1.00 0.00 N ATOM 0 H LYS A 566 52.224 1.925 4.804 1.00 0.00 H new ATOM 0 HA LYS A 566 51.097 3.880 2.886 1.00 0.00 H new ATOM 0 HB2 LYS A 566 53.475 3.613 4.681 1.00 0.00 H new ATOM 0 HB3 LYS A 566 53.775 4.443 3.167 1.00 0.00 H new ATOM 0 HG2 LYS A 566 51.800 5.950 3.626 1.00 0.00 H new ATOM 0 HG3 LYS A 566 51.558 5.141 5.162 1.00 0.00 H new ATOM 0 HD2 LYS A 566 54.262 6.356 4.451 1.00 0.00 H new ATOM 0 HD3 LYS A 566 52.989 7.345 5.138 1.00 0.00 H new ATOM 0 HE2 LYS A 566 53.110 6.311 7.220 1.00 0.00 H new ATOM 0 HE3 LYS A 566 53.478 4.739 6.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 566 55.397 5.668 7.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 566 55.729 5.518 6.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 566 55.372 7.041 6.689 1.00 0.00 H new ATOM 397 N LYS A 567 52.218 3.077 0.778 1.00 0.00 N ATOM 398 CA LYS A 567 52.792 2.483 -0.460 1.00 0.00 C ATOM 399 C LYS A 567 54.000 3.299 -0.905 1.00 0.00 C ATOM 400 O LYS A 567 54.262 4.367 -0.392 1.00 0.00 O ATOM 401 CB LYS A 567 51.732 2.481 -1.561 1.00 0.00 C ATOM 402 CG LYS A 567 50.809 1.276 -1.373 1.00 0.00 C ATOM 403 CD LYS A 567 50.236 1.285 0.049 1.00 0.00 C ATOM 404 CE LYS A 567 48.975 0.421 0.098 1.00 0.00 C ATOM 405 NZ LYS A 567 48.766 -0.079 1.486 1.00 0.00 N ATOM 0 H LYS A 567 51.546 3.829 0.627 1.00 0.00 H new ATOM 0 HA LYS A 567 53.107 1.458 -0.262 1.00 0.00 H new ATOM 0 HB2 LYS A 567 51.154 3.405 -1.527 1.00 0.00 H new ATOM 0 HB3 LYS A 567 52.209 2.439 -2.540 1.00 0.00 H new ATOM 0 HG2 LYS A 567 50.000 1.308 -2.102 1.00 0.00 H new ATOM 0 HG3 LYS A 567 51.360 0.352 -1.548 1.00 0.00 H new ATOM 0 HD2 LYS A 567 50.977 0.906 0.753 1.00 0.00 H new ATOM 0 HD3 LYS A 567 50.002 2.306 0.351 1.00 0.00 H new ATOM 0 HE2 LYS A 567 48.111 1.002 -0.224 1.00 0.00 H new ATOM 0 HE3 LYS A 567 49.070 -0.418 -0.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 567 48.978 -1.097 1.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 567 49.397 0.430 2.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 567 47.777 0.080 1.767 1.00 0.00 H new ATOM 419 N PHE A 568 54.740 2.795 -1.850 1.00 0.00 N ATOM 420 CA PHE A 568 55.948 3.522 -2.338 1.00 0.00 C ATOM 421 C PHE A 568 56.292 3.026 -3.736 1.00 0.00 C ATOM 422 O PHE A 568 56.274 1.837 -3.993 1.00 0.00 O ATOM 423 CB PHE A 568 57.143 3.205 -1.430 1.00 0.00 C ATOM 424 CG PHE A 568 57.016 3.903 -0.095 1.00 0.00 C ATOM 425 CD1 PHE A 568 56.413 3.244 0.984 1.00 0.00 C ATOM 426 CD2 PHE A 568 57.518 5.200 0.070 1.00 0.00 C ATOM 427 CE1 PHE A 568 56.311 3.881 2.226 1.00 0.00 C ATOM 428 CE2 PHE A 568 57.413 5.837 1.312 1.00 0.00 C ATOM 429 CZ PHE A 568 56.810 5.178 2.390 1.00 0.00 C ATOM 0 H PHE A 568 54.560 1.903 -2.311 1.00 0.00 H new ATOM 0 HA PHE A 568 55.743 4.593 -2.339 1.00 0.00 H new ATOM 0 HB2 PHE A 568 57.210 2.128 -1.275 1.00 0.00 H new ATOM 0 HB3 PHE A 568 58.067 3.515 -1.919 1.00 0.00 H new ATOM 0 HD1 PHE A 568 56.026 2.244 0.857 1.00 0.00 H new ATOM 0 HD2 PHE A 568 57.986 5.708 -0.760 1.00 0.00 H new ATOM 0 HE1 PHE A 568 55.847 3.372 3.058 1.00 0.00 H new ATOM 0 HE2 PHE A 568 57.798 6.838 1.439 1.00 0.00 H new ATOM 0 HZ PHE A 568 56.730 5.670 3.348 1.00 0.00 H new ATOM 439 N HIS A 569 56.648 3.907 -4.636 1.00 0.00 N ATOM 440 CA HIS A 569 57.038 3.432 -5.990 1.00 0.00 C ATOM 441 C HIS A 569 58.187 2.444 -5.788 1.00 0.00 C ATOM 442 O HIS A 569 59.088 2.707 -5.015 1.00 0.00 O ATOM 443 CB HIS A 569 57.531 4.603 -6.849 1.00 0.00 C ATOM 444 CG HIS A 569 56.366 5.325 -7.472 1.00 0.00 C ATOM 445 ND1 HIS A 569 56.052 6.629 -7.132 1.00 0.00 N ATOM 446 CD2 HIS A 569 55.447 4.951 -8.421 1.00 0.00 C ATOM 447 CE1 HIS A 569 54.984 6.996 -7.864 1.00 0.00 C ATOM 448 NE2 HIS A 569 54.576 6.009 -8.665 1.00 0.00 N ATOM 0 H HIS A 569 56.684 4.916 -4.493 1.00 0.00 H new ATOM 0 HA HIS A 569 56.188 2.974 -6.496 1.00 0.00 H new ATOM 0 HB2 HIS A 569 58.109 5.294 -6.235 1.00 0.00 H new ATOM 0 HB3 HIS A 569 58.198 4.235 -7.629 1.00 0.00 H new ATOM 0 HD2 HIS A 569 55.406 3.986 -8.903 1.00 0.00 H new ATOM 0 HE1 HIS A 569 54.516 7.968 -7.810 1.00 0.00 H new ATOM 0 HE2 HIS A 569 53.792 6.026 -9.317 1.00 0.00 H new ATOM 456 N PRO A 570 58.162 1.316 -6.447 1.00 0.00 N ATOM 457 CA PRO A 570 59.245 0.306 -6.286 1.00 0.00 C ATOM 458 C PRO A 570 60.647 0.914 -6.422 1.00 0.00 C ATOM 459 O PRO A 570 61.643 0.274 -6.144 1.00 0.00 O ATOM 460 CB PRO A 570 58.939 -0.671 -7.418 1.00 0.00 C ATOM 461 CG PRO A 570 57.493 -0.430 -7.869 1.00 0.00 C ATOM 462 CD PRO A 570 57.068 0.960 -7.388 1.00 0.00 C ATOM 0 HA PRO A 570 59.259 -0.152 -5.297 1.00 0.00 H new ATOM 0 HB2 PRO A 570 59.628 -0.520 -8.249 1.00 0.00 H new ATOM 0 HB3 PRO A 570 59.067 -1.699 -7.080 1.00 0.00 H new ATOM 0 HG2 PRO A 570 57.417 -0.496 -8.954 1.00 0.00 H new ATOM 0 HG3 PRO A 570 56.834 -1.193 -7.456 1.00 0.00 H new ATOM 0 HD2 PRO A 570 56.992 1.670 -8.212 1.00 0.00 H new ATOM 0 HD3 PRO A 570 56.097 0.940 -6.894 1.00 0.00 H new ATOM 470 N GLU A 571 60.720 2.153 -6.834 1.00 0.00 N ATOM 471 CA GLU A 571 62.039 2.832 -6.979 1.00 0.00 C ATOM 472 C GLU A 571 62.154 3.958 -5.942 1.00 0.00 C ATOM 473 O GLU A 571 63.229 4.468 -5.691 1.00 0.00 O ATOM 474 CB GLU A 571 62.153 3.423 -8.387 1.00 0.00 C ATOM 475 CG GLU A 571 61.026 4.435 -8.609 1.00 0.00 C ATOM 476 CD GLU A 571 61.257 5.185 -9.923 1.00 0.00 C ATOM 477 OE1 GLU A 571 60.882 4.658 -10.957 1.00 0.00 O ATOM 478 OE2 GLU A 571 61.804 6.275 -9.871 1.00 0.00 O ATOM 0 H GLU A 571 59.913 2.728 -7.078 1.00 0.00 H new ATOM 0 HA GLU A 571 62.839 2.110 -6.819 1.00 0.00 H new ATOM 0 HB2 GLU A 571 63.121 3.908 -8.512 1.00 0.00 H new ATOM 0 HB3 GLU A 571 62.095 2.629 -9.132 1.00 0.00 H new ATOM 0 HG2 GLU A 571 60.064 3.923 -8.636 1.00 0.00 H new ATOM 0 HG3 GLU A 571 60.989 5.140 -7.779 1.00 0.00 H new ATOM 485 N HIS A 572 61.056 4.350 -5.335 1.00 0.00 N ATOM 486 CA HIS A 572 61.113 5.443 -4.315 1.00 0.00 C ATOM 487 C HIS A 572 61.145 4.828 -2.919 1.00 0.00 C ATOM 488 O HIS A 572 61.474 5.483 -1.949 1.00 0.00 O ATOM 489 CB HIS A 572 59.896 6.366 -4.465 1.00 0.00 C ATOM 490 CG HIS A 572 60.000 7.080 -5.787 1.00 0.00 C ATOM 491 ND1 HIS A 572 58.912 7.666 -6.428 1.00 0.00 N ATOM 492 CD2 HIS A 572 61.078 7.300 -6.613 1.00 0.00 C ATOM 493 CE1 HIS A 572 59.363 8.198 -7.581 1.00 0.00 C ATOM 494 NE2 HIS A 572 60.671 8.002 -7.739 1.00 0.00 N ATOM 0 H HIS A 572 60.128 3.961 -5.502 1.00 0.00 H new ATOM 0 HA HIS A 572 62.015 6.036 -4.466 1.00 0.00 H new ATOM 0 HB2 HIS A 572 58.973 5.787 -4.418 1.00 0.00 H new ATOM 0 HB3 HIS A 572 59.863 7.086 -3.647 1.00 0.00 H new ATOM 0 HD2 HIS A 572 62.089 6.975 -6.415 1.00 0.00 H new ATOM 0 HE1 HIS A 572 58.739 8.720 -8.291 1.00 0.00 H new ATOM 0 HE2 HIS A 572 61.251 8.304 -8.522 1.00 0.00 H new ATOM 502 N PHE A 573 60.835 3.563 -2.815 1.00 0.00 N ATOM 503 CA PHE A 573 60.881 2.892 -1.491 1.00 0.00 C ATOM 504 C PHE A 573 62.343 2.607 -1.171 1.00 0.00 C ATOM 505 O PHE A 573 62.863 1.555 -1.482 1.00 0.00 O ATOM 506 CB PHE A 573 60.104 1.577 -1.552 1.00 0.00 C ATOM 507 CG PHE A 573 60.070 0.939 -0.180 1.00 0.00 C ATOM 508 CD1 PHE A 573 60.624 -0.331 0.016 1.00 0.00 C ATOM 509 CD2 PHE A 573 59.484 1.619 0.896 1.00 0.00 C ATOM 510 CE1 PHE A 573 60.592 -0.923 1.284 1.00 0.00 C ATOM 511 CE2 PHE A 573 59.453 1.028 2.164 1.00 0.00 C ATOM 512 CZ PHE A 573 60.006 -0.243 2.358 1.00 0.00 C ATOM 0 H PHE A 573 60.552 2.968 -3.593 1.00 0.00 H new ATOM 0 HA PHE A 573 60.434 3.525 -0.724 1.00 0.00 H new ATOM 0 HB2 PHE A 573 59.089 1.760 -1.904 1.00 0.00 H new ATOM 0 HB3 PHE A 573 60.572 0.900 -2.267 1.00 0.00 H new ATOM 0 HD1 PHE A 573 61.077 -0.855 -0.812 1.00 0.00 H new ATOM 0 HD2 PHE A 573 59.056 2.599 0.747 1.00 0.00 H new ATOM 0 HE1 PHE A 573 61.019 -1.904 1.434 1.00 0.00 H new ATOM 0 HE2 PHE A 573 59.002 1.553 2.993 1.00 0.00 H new ATOM 0 HZ PHE A 573 59.981 -0.699 3.337 1.00 0.00 H new ATOM 522 N VAL A 574 63.016 3.551 -0.582 1.00 0.00 N ATOM 523 CA VAL A 574 64.459 3.355 -0.267 1.00 0.00 C ATOM 524 C VAL A 574 64.653 3.134 1.235 1.00 0.00 C ATOM 525 O VAL A 574 63.739 3.274 2.024 1.00 0.00 O ATOM 526 CB VAL A 574 65.251 4.589 -0.709 1.00 0.00 C ATOM 527 CG1 VAL A 574 65.084 4.795 -2.219 1.00 0.00 C ATOM 528 CG2 VAL A 574 64.733 5.827 0.035 1.00 0.00 C ATOM 0 H VAL A 574 62.630 4.453 -0.303 1.00 0.00 H new ATOM 0 HA VAL A 574 64.819 2.476 -0.801 1.00 0.00 H new ATOM 0 HB VAL A 574 66.306 4.441 -0.478 1.00 0.00 H new ATOM 0 HG11 VAL A 574 65.649 5.674 -2.531 1.00 0.00 H new ATOM 0 HG12 VAL A 574 65.455 3.918 -2.749 1.00 0.00 H new ATOM 0 HG13 VAL A 574 64.029 4.940 -2.452 1.00 0.00 H new ATOM 0 HG21 VAL A 574 65.298 6.704 -0.281 1.00 0.00 H new ATOM 0 HG22 VAL A 574 63.677 5.974 -0.193 1.00 0.00 H new ATOM 0 HG23 VAL A 574 64.855 5.684 1.109 1.00 0.00 H new ATOM 538 N CYS A 575 65.851 2.786 1.624 1.00 0.00 N ATOM 539 CA CYS A 575 66.147 2.543 3.064 1.00 0.00 C ATOM 540 C CYS A 575 66.276 3.877 3.798 1.00 0.00 C ATOM 541 O CYS A 575 66.981 4.765 3.363 1.00 0.00 O ATOM 542 CB CYS A 575 67.469 1.783 3.172 1.00 0.00 C ATOM 543 SG CYS A 575 68.038 1.776 4.893 1.00 0.00 S ATOM 0 H CYS A 575 66.645 2.659 0.997 1.00 0.00 H new ATOM 0 HA CYS A 575 65.339 1.963 3.511 1.00 0.00 H new ATOM 0 HB2 CYS A 575 67.340 0.760 2.818 1.00 0.00 H new ATOM 0 HB3 CYS A 575 68.220 2.249 2.534 1.00 0.00 H new ATOM 548 N ALA A 576 65.609 4.019 4.915 1.00 0.00 N ATOM 549 CA ALA A 576 65.705 5.294 5.688 1.00 0.00 C ATOM 550 C ALA A 576 67.093 5.398 6.343 1.00 0.00 C ATOM 551 O ALA A 576 67.233 5.853 7.462 1.00 0.00 O ATOM 552 CB ALA A 576 64.621 5.316 6.770 1.00 0.00 C ATOM 0 H ALA A 576 65.003 3.308 5.325 1.00 0.00 H new ATOM 0 HA ALA A 576 65.562 6.139 5.014 1.00 0.00 H new ATOM 0 HB1 ALA A 576 64.690 6.246 7.335 1.00 0.00 H new ATOM 0 HB2 ALA A 576 63.639 5.247 6.302 1.00 0.00 H new ATOM 0 HB3 ALA A 576 64.762 4.471 7.444 1.00 0.00 H new ATOM 558 N PHE A 577 68.116 4.982 5.641 1.00 0.00 N ATOM 559 CA PHE A 577 69.503 5.051 6.189 1.00 0.00 C ATOM 560 C PHE A 577 70.456 5.396 5.048 1.00 0.00 C ATOM 561 O PHE A 577 71.104 6.425 5.051 1.00 0.00 O ATOM 562 CB PHE A 577 69.891 3.691 6.777 1.00 0.00 C ATOM 563 CG PHE A 577 70.961 3.873 7.830 1.00 0.00 C ATOM 564 CD1 PHE A 577 70.653 4.505 9.042 1.00 0.00 C ATOM 565 CD2 PHE A 577 72.260 3.407 7.595 1.00 0.00 C ATOM 566 CE1 PHE A 577 71.644 4.671 10.017 1.00 0.00 C ATOM 567 CE2 PHE A 577 73.251 3.573 8.570 1.00 0.00 C ATOM 568 CZ PHE A 577 72.943 4.205 9.781 1.00 0.00 C ATOM 0 H PHE A 577 68.048 4.593 4.701 1.00 0.00 H new ATOM 0 HA PHE A 577 69.558 5.809 6.971 1.00 0.00 H new ATOM 0 HB2 PHE A 577 69.016 3.211 7.214 1.00 0.00 H new ATOM 0 HB3 PHE A 577 70.254 3.033 5.987 1.00 0.00 H new ATOM 0 HD1 PHE A 577 69.651 4.864 9.224 1.00 0.00 H new ATOM 0 HD2 PHE A 577 72.498 2.919 6.661 1.00 0.00 H new ATOM 0 HE1 PHE A 577 71.406 5.158 10.951 1.00 0.00 H new ATOM 0 HE2 PHE A 577 74.253 3.214 8.388 1.00 0.00 H new ATOM 0 HZ PHE A 577 73.708 4.333 10.533 1.00 0.00 H new ATOM 578 N CYS A 578 70.531 4.539 4.065 1.00 0.00 N ATOM 579 CA CYS A 578 71.424 4.800 2.900 1.00 0.00 C ATOM 580 C CYS A 578 70.595 5.418 1.772 1.00 0.00 C ATOM 581 O CYS A 578 71.120 6.042 0.870 1.00 0.00 O ATOM 582 CB CYS A 578 72.047 3.484 2.426 1.00 0.00 C ATOM 583 SG CYS A 578 70.799 2.175 2.454 1.00 0.00 S ATOM 0 H CYS A 578 70.009 3.664 4.019 1.00 0.00 H new ATOM 0 HA CYS A 578 72.221 5.485 3.188 1.00 0.00 H new ATOM 0 HB2 CYS A 578 72.443 3.600 1.417 1.00 0.00 H new ATOM 0 HB3 CYS A 578 72.885 3.215 3.069 1.00 0.00 H new ATOM 588 N LEU A 579 69.296 5.253 1.832 1.00 0.00 N ATOM 589 CA LEU A 579 68.394 5.829 0.787 1.00 0.00 C ATOM 590 C LEU A 579 68.837 5.382 -0.611 1.00 0.00 C ATOM 591 O LEU A 579 68.491 5.994 -1.604 1.00 0.00 O ATOM 592 CB LEU A 579 68.422 7.360 0.869 1.00 0.00 C ATOM 593 CG LEU A 579 67.958 7.811 2.260 1.00 0.00 C ATOM 594 CD1 LEU A 579 69.172 8.200 3.108 1.00 0.00 C ATOM 595 CD2 LEU A 579 67.026 9.019 2.123 1.00 0.00 C ATOM 0 H LEU A 579 68.817 4.737 2.570 1.00 0.00 H new ATOM 0 HA LEU A 579 67.380 5.471 0.965 1.00 0.00 H new ATOM 0 HB2 LEU A 579 69.430 7.726 0.675 1.00 0.00 H new ATOM 0 HB3 LEU A 579 67.775 7.787 0.103 1.00 0.00 H new ATOM 0 HG LEU A 579 67.425 6.992 2.744 1.00 0.00 H new ATOM 0 HD11 LEU A 579 68.839 8.520 4.095 1.00 0.00 H new ATOM 0 HD12 LEU A 579 69.835 7.341 3.210 1.00 0.00 H new ATOM 0 HD13 LEU A 579 69.708 9.017 2.624 1.00 0.00 H new ATOM 0 HD21 LEU A 579 66.697 9.339 3.112 1.00 0.00 H new ATOM 0 HD22 LEU A 579 67.558 9.836 1.636 1.00 0.00 H new ATOM 0 HD23 LEU A 579 66.158 8.743 1.523 1.00 0.00 H new ATOM 607 N LYS A 580 69.590 4.317 -0.701 1.00 0.00 N ATOM 608 CA LYS A 580 70.042 3.834 -2.038 1.00 0.00 C ATOM 609 C LYS A 580 68.851 3.210 -2.774 1.00 0.00 C ATOM 610 O LYS A 580 68.534 3.574 -3.890 1.00 0.00 O ATOM 611 CB LYS A 580 71.153 2.789 -1.858 1.00 0.00 C ATOM 612 CG LYS A 580 70.623 1.589 -1.062 1.00 0.00 C ATOM 613 CD LYS A 580 71.795 0.782 -0.497 1.00 0.00 C ATOM 614 CE LYS A 580 71.697 -0.668 -0.976 1.00 0.00 C ATOM 615 NZ LYS A 580 71.909 -0.719 -2.451 1.00 0.00 N ATOM 0 H LYS A 580 69.911 3.762 0.092 1.00 0.00 H new ATOM 0 HA LYS A 580 70.432 4.669 -2.621 1.00 0.00 H new ATOM 0 HB2 LYS A 580 71.514 2.459 -2.832 1.00 0.00 H new ATOM 0 HB3 LYS A 580 72.001 3.234 -1.338 1.00 0.00 H new ATOM 0 HG2 LYS A 580 69.982 1.934 -0.250 1.00 0.00 H new ATOM 0 HG3 LYS A 580 70.011 0.957 -1.705 1.00 0.00 H new ATOM 0 HD2 LYS A 580 72.740 1.219 -0.820 1.00 0.00 H new ATOM 0 HD3 LYS A 580 71.783 0.818 0.592 1.00 0.00 H new ATOM 0 HE2 LYS A 580 72.442 -1.281 -0.469 1.00 0.00 H new ATOM 0 HE3 LYS A 580 70.720 -1.080 -0.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 580 72.244 -1.666 -2.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 580 71.012 -0.518 -2.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 580 72.618 -0.009 -2.725 1.00 0.00 H new ATOM 629 N GLN A 581 68.189 2.277 -2.142 1.00 0.00 N ATOM 630 CA GLN A 581 67.012 1.610 -2.762 1.00 0.00 C ATOM 631 C GLN A 581 66.475 0.592 -1.763 1.00 0.00 C ATOM 632 O GLN A 581 67.168 0.201 -0.843 1.00 0.00 O ATOM 633 CB GLN A 581 67.426 0.893 -4.053 1.00 0.00 C ATOM 634 CG GLN A 581 66.438 1.233 -5.174 1.00 0.00 C ATOM 635 CD GLN A 581 65.706 -0.032 -5.621 1.00 0.00 C ATOM 636 OE1 GLN A 581 64.579 -0.347 -5.050 1.00 0.00 O flip ATOM 637 NE2 GLN A 581 66.164 -0.739 -6.495 1.00 0.00 N flip ATOM 0 H GLN A 581 68.421 1.945 -1.206 1.00 0.00 H new ATOM 0 HA GLN A 581 66.250 2.349 -3.010 1.00 0.00 H new ATOM 0 HB2 GLN A 581 68.434 1.194 -4.340 1.00 0.00 H new ATOM 0 HB3 GLN A 581 67.449 -0.185 -3.890 1.00 0.00 H new ATOM 0 HG2 GLN A 581 65.720 1.976 -4.826 1.00 0.00 H new ATOM 0 HG3 GLN A 581 66.969 1.674 -6.018 1.00 0.00 H new ATOM 0 HE21 GLN A 581 67.047 -0.491 -6.941 1.00 0.00 H new ATOM 0 HE22 GLN A 581 65.666 -1.581 -6.783 1.00 0.00 H new ATOM 646 N LEU A 582 65.254 0.161 -1.915 1.00 0.00 N ATOM 647 CA LEU A 582 64.708 -0.824 -0.943 1.00 0.00 C ATOM 648 C LEU A 582 63.488 -1.538 -1.527 1.00 0.00 C ATOM 649 O LEU A 582 62.857 -1.067 -2.453 1.00 0.00 O ATOM 650 CB LEU A 582 64.313 -0.086 0.341 1.00 0.00 C ATOM 651 CG LEU A 582 64.452 -1.022 1.537 1.00 0.00 C ATOM 652 CD1 LEU A 582 65.932 -1.286 1.820 1.00 0.00 C ATOM 653 CD2 LEU A 582 63.803 -0.373 2.761 1.00 0.00 C ATOM 0 H LEU A 582 64.618 0.444 -2.661 1.00 0.00 H new ATOM 0 HA LEU A 582 65.469 -1.573 -0.725 1.00 0.00 H new ATOM 0 HB2 LEU A 582 64.947 0.790 0.478 1.00 0.00 H new ATOM 0 HB3 LEU A 582 63.286 0.272 0.265 1.00 0.00 H new ATOM 0 HG LEU A 582 63.958 -1.968 1.317 1.00 0.00 H new ATOM 0 HD11 LEU A 582 66.025 -1.955 2.675 1.00 0.00 H new ATOM 0 HD12 LEU A 582 66.393 -1.747 0.947 1.00 0.00 H new ATOM 0 HD13 LEU A 582 66.434 -0.344 2.040 1.00 0.00 H new ATOM 0 HD21 LEU A 582 63.899 -1.038 3.619 1.00 0.00 H new ATOM 0 HD22 LEU A 582 64.299 0.573 2.977 1.00 0.00 H new ATOM 0 HD23 LEU A 582 62.747 -0.191 2.560 1.00 0.00 H new ATOM 665 N ASN A 583 63.159 -2.680 -0.980 1.00 0.00 N ATOM 666 CA ASN A 583 61.987 -3.453 -1.474 1.00 0.00 C ATOM 667 C ASN A 583 61.417 -4.287 -0.322 1.00 0.00 C ATOM 668 O ASN A 583 62.139 -4.982 0.368 1.00 0.00 O ATOM 669 CB ASN A 583 62.431 -4.382 -2.607 1.00 0.00 C ATOM 670 CG ASN A 583 63.597 -5.255 -2.134 1.00 0.00 C ATOM 671 OD1 ASN A 583 63.362 -6.474 -1.731 1.00 0.00 O flip ATOM 672 ND2 ASN A 583 64.732 -4.823 -2.129 1.00 0.00 N flip ATOM 0 H ASN A 583 63.660 -3.112 -0.204 1.00 0.00 H new ATOM 0 HA ASN A 583 61.224 -2.769 -1.846 1.00 0.00 H new ATOM 0 HB2 ASN A 583 61.598 -5.011 -2.922 1.00 0.00 H new ATOM 0 HB3 ASN A 583 62.733 -3.795 -3.474 1.00 0.00 H new ATOM 0 HD21 ASN A 583 64.917 -3.871 -2.444 1.00 0.00 H new ATOM 0 HD22 ASN A 583 65.501 -5.413 -1.810 1.00 0.00 H new ATOM 679 N LYS A 584 60.128 -4.223 -0.113 1.00 0.00 N ATOM 680 CA LYS A 584 59.497 -5.010 0.991 1.00 0.00 C ATOM 681 C LYS A 584 59.911 -6.482 0.872 1.00 0.00 C ATOM 682 O LYS A 584 59.928 -7.215 1.842 1.00 0.00 O ATOM 683 CB LYS A 584 57.969 -4.884 0.874 1.00 0.00 C ATOM 684 CG LYS A 584 57.267 -6.037 1.606 1.00 0.00 C ATOM 685 CD LYS A 584 57.532 -5.944 3.114 1.00 0.00 C ATOM 686 CE LYS A 584 56.670 -4.837 3.728 1.00 0.00 C ATOM 687 NZ LYS A 584 55.230 -5.212 3.633 1.00 0.00 N ATOM 0 H LYS A 584 59.481 -3.657 -0.662 1.00 0.00 H new ATOM 0 HA LYS A 584 59.824 -4.629 1.958 1.00 0.00 H new ATOM 0 HB2 LYS A 584 57.645 -3.931 1.293 1.00 0.00 H new ATOM 0 HB3 LYS A 584 57.679 -4.885 -0.177 1.00 0.00 H new ATOM 0 HG2 LYS A 584 56.195 -6.000 1.415 1.00 0.00 H new ATOM 0 HG3 LYS A 584 57.626 -6.993 1.224 1.00 0.00 H new ATOM 0 HD2 LYS A 584 57.308 -6.898 3.591 1.00 0.00 H new ATOM 0 HD3 LYS A 584 58.587 -5.738 3.295 1.00 0.00 H new ATOM 0 HE2 LYS A 584 56.948 -4.682 4.771 1.00 0.00 H new ATOM 0 HE3 LYS A 584 56.846 -3.895 3.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 584 54.735 -4.535 3.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 584 55.146 -6.168 3.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 584 54.803 -5.194 4.581 1.00 0.00 H new ATOM 701 N GLY A 585 60.236 -6.913 -0.317 1.00 0.00 N ATOM 702 CA GLY A 585 60.639 -8.333 -0.529 1.00 0.00 C ATOM 703 C GLY A 585 61.799 -8.721 0.393 1.00 0.00 C ATOM 704 O GLY A 585 61.900 -9.858 0.814 1.00 0.00 O ATOM 0 H GLY A 585 60.239 -6.336 -1.158 1.00 0.00 H new ATOM 0 HA2 GLY A 585 59.788 -8.988 -0.342 1.00 0.00 H new ATOM 0 HA3 GLY A 585 60.932 -8.480 -1.569 1.00 0.00 H new ATOM 708 N THR A 586 62.682 -7.805 0.704 1.00 0.00 N ATOM 709 CA THR A 586 63.835 -8.163 1.589 1.00 0.00 C ATOM 710 C THR A 586 64.264 -6.963 2.441 1.00 0.00 C ATOM 711 O THR A 586 65.431 -6.806 2.749 1.00 0.00 O ATOM 712 CB THR A 586 65.021 -8.610 0.723 1.00 0.00 C ATOM 713 OG1 THR A 586 65.370 -7.563 -0.173 1.00 0.00 O ATOM 714 CG2 THR A 586 64.642 -9.860 -0.074 1.00 0.00 C ATOM 0 H THR A 586 62.657 -6.835 0.388 1.00 0.00 H new ATOM 0 HA THR A 586 63.523 -8.970 2.251 1.00 0.00 H new ATOM 0 HB THR A 586 65.870 -8.841 1.366 1.00 0.00 H new ATOM 0 HG1 THR A 586 64.591 -7.325 -0.718 1.00 0.00 H new ATOM 0 HG21 THR A 586 65.488 -10.172 -0.686 1.00 0.00 H new ATOM 0 HG22 THR A 586 64.376 -10.663 0.613 1.00 0.00 H new ATOM 0 HG23 THR A 586 63.791 -9.637 -0.718 1.00 0.00 H new ATOM 722 N PHE A 587 63.346 -6.122 2.841 1.00 0.00 N ATOM 723 CA PHE A 587 63.742 -4.956 3.683 1.00 0.00 C ATOM 724 C PHE A 587 63.447 -5.257 5.152 1.00 0.00 C ATOM 725 O PHE A 587 62.918 -6.294 5.500 1.00 0.00 O ATOM 726 CB PHE A 587 62.968 -3.692 3.258 1.00 0.00 C ATOM 727 CG PHE A 587 61.772 -3.470 4.165 1.00 0.00 C ATOM 728 CD1 PHE A 587 61.629 -2.257 4.849 1.00 0.00 C ATOM 729 CD2 PHE A 587 60.812 -4.479 4.324 1.00 0.00 C ATOM 730 CE1 PHE A 587 60.529 -2.052 5.691 1.00 0.00 C ATOM 731 CE2 PHE A 587 59.713 -4.272 5.167 1.00 0.00 C ATOM 732 CZ PHE A 587 59.572 -3.060 5.850 1.00 0.00 C ATOM 0 H PHE A 587 62.352 -6.191 2.624 1.00 0.00 H new ATOM 0 HA PHE A 587 64.809 -4.780 3.548 1.00 0.00 H new ATOM 0 HB2 PHE A 587 63.627 -2.825 3.297 1.00 0.00 H new ATOM 0 HB3 PHE A 587 62.635 -3.793 2.225 1.00 0.00 H new ATOM 0 HD1 PHE A 587 62.368 -1.479 4.727 1.00 0.00 H new ATOM 0 HD2 PHE A 587 60.920 -5.415 3.797 1.00 0.00 H new ATOM 0 HE1 PHE A 587 60.419 -1.116 6.218 1.00 0.00 H new ATOM 0 HE2 PHE A 587 58.973 -5.049 5.290 1.00 0.00 H new ATOM 0 HZ PHE A 587 58.724 -2.902 6.500 1.00 0.00 H new ATOM 742 N LYS A 588 63.769 -4.326 5.997 1.00 0.00 N ATOM 743 CA LYS A 588 63.511 -4.471 7.453 1.00 0.00 C ATOM 744 C LYS A 588 63.090 -3.096 7.971 1.00 0.00 C ATOM 745 O LYS A 588 63.224 -2.108 7.276 1.00 0.00 O ATOM 746 CB LYS A 588 64.790 -4.925 8.164 1.00 0.00 C ATOM 747 CG LYS A 588 64.972 -6.440 8.013 1.00 0.00 C ATOM 748 CD LYS A 588 63.956 -7.177 8.895 1.00 0.00 C ATOM 749 CE LYS A 588 62.964 -7.938 8.014 1.00 0.00 C ATOM 750 NZ LYS A 588 62.129 -8.833 8.864 1.00 0.00 N ATOM 0 H LYS A 588 64.212 -3.446 5.733 1.00 0.00 H new ATOM 0 HA LYS A 588 62.735 -5.213 7.640 1.00 0.00 H new ATOM 0 HB2 LYS A 588 65.651 -4.405 7.745 1.00 0.00 H new ATOM 0 HB3 LYS A 588 64.741 -4.661 9.220 1.00 0.00 H new ATOM 0 HG2 LYS A 588 64.839 -6.729 6.970 1.00 0.00 H new ATOM 0 HG3 LYS A 588 65.986 -6.724 8.296 1.00 0.00 H new ATOM 0 HD2 LYS A 588 64.472 -7.870 9.560 1.00 0.00 H new ATOM 0 HD3 LYS A 588 63.424 -6.465 9.527 1.00 0.00 H new ATOM 0 HE2 LYS A 588 62.329 -7.236 7.473 1.00 0.00 H new ATOM 0 HE3 LYS A 588 63.500 -8.524 7.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 588 61.454 -9.351 8.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 588 62.742 -9.511 9.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 588 61.607 -8.263 9.560 1.00 0.00 H new ATOM 764 N GLU A 589 62.581 -3.005 9.167 1.00 0.00 N ATOM 765 CA GLU A 589 62.163 -1.672 9.679 1.00 0.00 C ATOM 766 C GLU A 589 62.562 -1.516 11.145 1.00 0.00 C ATOM 767 O GLU A 589 62.634 -2.471 11.895 1.00 0.00 O ATOM 768 CB GLU A 589 60.644 -1.512 9.532 1.00 0.00 C ATOM 769 CG GLU A 589 59.931 -2.096 10.756 1.00 0.00 C ATOM 770 CD GLU A 589 58.500 -2.488 10.379 1.00 0.00 C ATOM 771 OE1 GLU A 589 57.583 -1.847 10.864 1.00 0.00 O ATOM 772 OE2 GLU A 589 58.346 -3.424 9.610 1.00 0.00 O ATOM 0 H GLU A 589 62.437 -3.787 9.806 1.00 0.00 H new ATOM 0 HA GLU A 589 62.665 -0.899 9.096 1.00 0.00 H new ATOM 0 HB2 GLU A 589 60.391 -0.457 9.423 1.00 0.00 H new ATOM 0 HB3 GLU A 589 60.303 -2.017 8.628 1.00 0.00 H new ATOM 0 HG2 GLU A 589 60.473 -2.968 11.123 1.00 0.00 H new ATOM 0 HG3 GLU A 589 59.917 -1.365 11.565 1.00 0.00 H new ATOM 779 N GLN A 590 62.814 -0.305 11.547 1.00 0.00 N ATOM 780 CA GLN A 590 63.201 -0.029 12.953 1.00 0.00 C ATOM 781 C GLN A 590 62.814 1.411 13.272 1.00 0.00 C ATOM 782 O GLN A 590 62.813 2.259 12.407 1.00 0.00 O ATOM 783 CB GLN A 590 64.714 -0.201 13.109 1.00 0.00 C ATOM 784 CG GLN A 590 65.082 -0.243 14.595 1.00 0.00 C ATOM 785 CD GLN A 590 64.657 -1.585 15.196 1.00 0.00 C ATOM 786 OE1 GLN A 590 64.798 -2.673 14.494 1.00 0.00 O flip ATOM 787 NE2 GLN A 590 64.193 -1.642 16.317 1.00 0.00 N flip ATOM 0 H GLN A 590 62.767 0.520 10.949 1.00 0.00 H new ATOM 0 HA GLN A 590 62.696 -0.717 13.631 1.00 0.00 H new ATOM 0 HB2 GLN A 590 65.037 -1.120 12.619 1.00 0.00 H new ATOM 0 HB3 GLN A 590 65.235 0.622 12.619 1.00 0.00 H new ATOM 0 HG2 GLN A 590 66.156 -0.103 14.717 1.00 0.00 H new ATOM 0 HG3 GLN A 590 64.592 0.574 15.124 1.00 0.00 H new ATOM 0 HE21 GLN A 590 64.082 -0.790 16.867 1.00 0.00 H new ATOM 0 HE22 GLN A 590 63.914 -2.542 16.708 1.00 0.00 H new ATOM 796 N ASN A 591 62.483 1.698 14.500 1.00 0.00 N ATOM 797 CA ASN A 591 62.099 3.094 14.866 1.00 0.00 C ATOM 798 C ASN A 591 60.964 3.596 13.958 1.00 0.00 C ATOM 799 O ASN A 591 60.736 4.785 13.850 1.00 0.00 O ATOM 800 CB ASN A 591 63.318 4.011 14.715 1.00 0.00 C ATOM 801 CG ASN A 591 64.284 3.777 15.878 1.00 0.00 C ATOM 802 OD1 ASN A 591 63.947 4.013 17.021 1.00 0.00 O ATOM 803 ND2 ASN A 591 65.480 3.321 15.633 1.00 0.00 N ATOM 0 H ASN A 591 62.461 1.027 15.268 1.00 0.00 H new ATOM 0 HA ASN A 591 61.751 3.105 15.899 1.00 0.00 H new ATOM 0 HB2 ASN A 591 63.819 3.813 13.767 1.00 0.00 H new ATOM 0 HB3 ASN A 591 63.001 5.054 14.696 1.00 0.00 H new ATOM 0 HD21 ASN A 591 66.133 3.162 16.401 1.00 0.00 H new ATOM 0 HD22 ASN A 591 65.764 3.123 14.673 1.00 0.00 H new ATOM 810 N ASP A 592 60.251 2.699 13.312 1.00 0.00 N ATOM 811 CA ASP A 592 59.119 3.114 12.419 1.00 0.00 C ATOM 812 C ASP A 592 59.648 3.603 11.063 1.00 0.00 C ATOM 813 O ASP A 592 59.061 4.464 10.436 1.00 0.00 O ATOM 814 CB ASP A 592 58.311 4.237 13.084 1.00 0.00 C ATOM 815 CG ASP A 592 56.842 4.138 12.662 1.00 0.00 C ATOM 816 OD1 ASP A 592 56.509 4.668 11.614 1.00 0.00 O ATOM 817 OD2 ASP A 592 56.075 3.536 13.394 1.00 0.00 O ATOM 0 H ASP A 592 60.406 1.692 13.366 1.00 0.00 H new ATOM 0 HA ASP A 592 58.478 2.248 12.256 1.00 0.00 H new ATOM 0 HB2 ASP A 592 58.393 4.164 14.168 1.00 0.00 H new ATOM 0 HB3 ASP A 592 58.716 5.208 12.798 1.00 0.00 H new ATOM 822 N LYS A 593 60.737 3.054 10.595 1.00 0.00 N ATOM 823 CA LYS A 593 61.280 3.484 9.270 1.00 0.00 C ATOM 824 C LYS A 593 61.920 2.276 8.576 1.00 0.00 C ATOM 825 O LYS A 593 62.337 1.337 9.224 1.00 0.00 O ATOM 826 CB LYS A 593 62.318 4.607 9.442 1.00 0.00 C ATOM 827 CG LYS A 593 62.708 4.772 10.916 1.00 0.00 C ATOM 828 CD LYS A 593 63.483 6.081 11.100 1.00 0.00 C ATOM 829 CE LYS A 593 62.516 7.268 11.053 1.00 0.00 C ATOM 830 NZ LYS A 593 62.605 7.930 9.720 1.00 0.00 N ATOM 0 H LYS A 593 61.274 2.328 11.070 1.00 0.00 H new ATOM 0 HA LYS A 593 60.464 3.871 8.660 1.00 0.00 H new ATOM 0 HB2 LYS A 593 63.205 4.381 8.850 1.00 0.00 H new ATOM 0 HB3 LYS A 593 61.912 5.544 9.062 1.00 0.00 H new ATOM 0 HG2 LYS A 593 61.815 4.776 11.541 1.00 0.00 H new ATOM 0 HG3 LYS A 593 63.318 3.928 11.238 1.00 0.00 H new ATOM 0 HD2 LYS A 593 64.013 6.070 12.052 1.00 0.00 H new ATOM 0 HD3 LYS A 593 64.235 6.182 10.318 1.00 0.00 H new ATOM 0 HE2 LYS A 593 61.497 6.928 11.234 1.00 0.00 H new ATOM 0 HE3 LYS A 593 62.759 7.980 11.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 593 63.088 8.846 9.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 593 63.141 7.324 9.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 593 61.648 8.083 9.344 1.00 0.00 H new ATOM 844 N PRO A 594 61.979 2.293 7.264 1.00 0.00 N ATOM 845 CA PRO A 594 62.560 1.160 6.485 1.00 0.00 C ATOM 846 C PRO A 594 64.071 1.037 6.634 1.00 0.00 C ATOM 847 O PRO A 594 64.765 1.991 6.921 1.00 0.00 O ATOM 848 CB PRO A 594 62.209 1.546 5.055 1.00 0.00 C ATOM 849 CG PRO A 594 61.933 3.046 5.046 1.00 0.00 C ATOM 850 CD PRO A 594 61.480 3.439 6.455 1.00 0.00 C ATOM 0 HA PRO A 594 62.175 0.196 6.816 1.00 0.00 H new ATOM 0 HB2 PRO A 594 63.028 1.302 4.379 1.00 0.00 H new ATOM 0 HB3 PRO A 594 61.336 0.992 4.711 1.00 0.00 H new ATOM 0 HG2 PRO A 594 62.829 3.599 4.763 1.00 0.00 H new ATOM 0 HG3 PRO A 594 61.163 3.290 4.314 1.00 0.00 H new ATOM 0 HD2 PRO A 594 61.915 4.386 6.775 1.00 0.00 H new ATOM 0 HD3 PRO A 594 60.397 3.546 6.522 1.00 0.00 H new ATOM 858 N TYR A 595 64.567 -0.144 6.419 1.00 0.00 N ATOM 859 CA TYR A 595 66.028 -0.402 6.519 1.00 0.00 C ATOM 860 C TYR A 595 66.323 -1.702 5.776 1.00 0.00 C ATOM 861 O TYR A 595 65.743 -2.726 6.075 1.00 0.00 O ATOM 862 CB TYR A 595 66.424 -0.573 7.991 1.00 0.00 C ATOM 863 CG TYR A 595 66.361 0.756 8.706 1.00 0.00 C ATOM 864 CD1 TYR A 595 67.244 1.782 8.356 1.00 0.00 C ATOM 865 CD2 TYR A 595 65.418 0.961 9.719 1.00 0.00 C ATOM 866 CE1 TYR A 595 67.183 3.014 9.018 1.00 0.00 C ATOM 867 CE2 TYR A 595 65.359 2.192 10.381 1.00 0.00 C ATOM 868 CZ TYR A 595 66.241 3.218 10.030 1.00 0.00 C ATOM 869 OH TYR A 595 66.182 4.433 10.682 1.00 0.00 O ATOM 0 H TYR A 595 64.009 -0.961 6.172 1.00 0.00 H new ATOM 0 HA TYR A 595 66.588 0.430 6.092 1.00 0.00 H new ATOM 0 HB2 TYR A 595 65.756 -1.286 8.474 1.00 0.00 H new ATOM 0 HB3 TYR A 595 67.432 -0.983 8.059 1.00 0.00 H new ATOM 0 HD1 TYR A 595 67.973 1.624 7.575 1.00 0.00 H new ATOM 0 HD2 TYR A 595 64.736 0.169 9.990 1.00 0.00 H new ATOM 0 HE1 TYR A 595 67.864 3.807 8.747 1.00 0.00 H new ATOM 0 HE2 TYR A 595 64.632 2.350 11.164 1.00 0.00 H new ATOM 0 HH TYR A 595 66.469 5.145 10.073 1.00 0.00 H new ATOM 879 N CYS A 596 67.209 -1.687 4.816 1.00 0.00 N ATOM 880 CA CYS A 596 67.509 -2.951 4.083 1.00 0.00 C ATOM 881 C CYS A 596 67.849 -4.029 5.104 1.00 0.00 C ATOM 882 O CYS A 596 68.462 -3.760 6.117 1.00 0.00 O ATOM 883 CB CYS A 596 68.702 -2.758 3.138 1.00 0.00 C ATOM 884 SG CYS A 596 68.829 -1.023 2.643 1.00 0.00 S ATOM 0 H CYS A 596 67.732 -0.866 4.511 1.00 0.00 H new ATOM 0 HA CYS A 596 66.641 -3.239 3.490 1.00 0.00 H new ATOM 0 HB2 CYS A 596 69.622 -3.071 3.632 1.00 0.00 H new ATOM 0 HB3 CYS A 596 68.583 -3.388 2.256 1.00 0.00 H new ATOM 889 N GLN A 597 67.460 -5.245 4.849 1.00 0.00 N ATOM 890 CA GLN A 597 67.773 -6.340 5.807 1.00 0.00 C ATOM 891 C GLN A 597 69.264 -6.266 6.140 1.00 0.00 C ATOM 892 O GLN A 597 69.672 -6.467 7.265 1.00 0.00 O ATOM 893 CB GLN A 597 67.417 -7.678 5.146 1.00 0.00 C ATOM 894 CG GLN A 597 68.481 -8.747 5.438 1.00 0.00 C ATOM 895 CD GLN A 597 68.563 -9.023 6.945 1.00 0.00 C ATOM 896 OE1 GLN A 597 67.626 -8.580 7.737 1.00 0.00 O flip ATOM 897 NE2 GLN A 597 69.495 -9.652 7.406 1.00 0.00 N flip ATOM 0 H GLN A 597 66.939 -5.529 4.019 1.00 0.00 H new ATOM 0 HA GLN A 597 67.200 -6.245 6.729 1.00 0.00 H new ATOM 0 HB2 GLN A 597 66.447 -8.019 5.509 1.00 0.00 H new ATOM 0 HB3 GLN A 597 67.323 -7.540 4.069 1.00 0.00 H new ATOM 0 HG2 GLN A 597 68.237 -9.667 4.906 1.00 0.00 H new ATOM 0 HG3 GLN A 597 69.451 -8.414 5.070 1.00 0.00 H new ATOM 0 HE21 GLN A 597 70.230 -10.000 6.790 1.00 0.00 H new ATOM 0 HE22 GLN A 597 69.543 -9.832 8.409 1.00 0.00 H new ATOM 906 N ASN A 598 70.068 -5.939 5.164 1.00 0.00 N ATOM 907 CA ASN A 598 71.530 -5.806 5.401 1.00 0.00 C ATOM 908 C ASN A 598 71.757 -4.618 6.338 1.00 0.00 C ATOM 909 O ASN A 598 72.583 -4.666 7.227 1.00 0.00 O ATOM 910 CB ASN A 598 72.234 -5.566 4.061 1.00 0.00 C ATOM 911 CG ASN A 598 73.749 -5.499 4.272 1.00 0.00 C ATOM 912 OD1 ASN A 598 74.254 -4.520 4.967 1.00 0.00 O flip ATOM 913 ND2 ASN A 598 74.478 -6.347 3.800 1.00 0.00 N flip ATOM 0 H ASN A 598 69.770 -5.757 4.206 1.00 0.00 H new ATOM 0 HA ASN A 598 71.933 -6.712 5.853 1.00 0.00 H new ATOM 0 HB2 ASN A 598 71.990 -6.368 3.364 1.00 0.00 H new ATOM 0 HB3 ASN A 598 71.879 -4.637 3.615 1.00 0.00 H new ATOM 0 HD21 ASN A 598 74.083 -7.114 3.256 1.00 0.00 H new ATOM 0 HD22 ASN A 598 75.486 -6.293 3.948 1.00 0.00 H new ATOM 920 N CYS A 599 70.999 -3.566 6.161 1.00 0.00 N ATOM 921 CA CYS A 599 71.135 -2.383 7.057 1.00 0.00 C ATOM 922 C CYS A 599 70.614 -2.782 8.435 1.00 0.00 C ATOM 923 O CYS A 599 71.338 -2.762 9.401 1.00 0.00 O ATOM 924 CB CYS A 599 70.305 -1.214 6.514 1.00 0.00 C ATOM 925 SG CYS A 599 71.286 -0.262 5.327 1.00 0.00 S ATOM 0 H CYS A 599 70.291 -3.477 5.432 1.00 0.00 H new ATOM 0 HA CYS A 599 72.177 -2.070 7.113 1.00 0.00 H new ATOM 0 HB2 CYS A 599 69.402 -1.590 6.034 1.00 0.00 H new ATOM 0 HB3 CYS A 599 69.986 -0.571 7.334 1.00 0.00 H new ATOM 930 N PHE A 600 69.367 -3.179 8.518 1.00 0.00 N ATOM 931 CA PHE A 600 68.791 -3.620 9.826 1.00 0.00 C ATOM 932 C PHE A 600 69.766 -4.605 10.467 1.00 0.00 C ATOM 933 O PHE A 600 70.095 -4.512 11.632 1.00 0.00 O ATOM 934 CB PHE A 600 67.447 -4.307 9.556 1.00 0.00 C ATOM 935 CG PHE A 600 66.993 -5.099 10.763 1.00 0.00 C ATOM 936 CD1 PHE A 600 67.454 -6.408 10.955 1.00 0.00 C ATOM 937 CD2 PHE A 600 66.102 -4.530 11.681 1.00 0.00 C ATOM 938 CE1 PHE A 600 67.024 -7.146 12.063 1.00 0.00 C ATOM 939 CE2 PHE A 600 65.674 -5.269 12.790 1.00 0.00 C ATOM 940 CZ PHE A 600 66.134 -6.577 12.981 1.00 0.00 C ATOM 0 H PHE A 600 68.720 -3.216 7.730 1.00 0.00 H new ATOM 0 HA PHE A 600 68.635 -2.774 10.495 1.00 0.00 H new ATOM 0 HB2 PHE A 600 66.696 -3.559 9.304 1.00 0.00 H new ATOM 0 HB3 PHE A 600 67.539 -4.969 8.695 1.00 0.00 H new ATOM 0 HD1 PHE A 600 68.142 -6.847 10.247 1.00 0.00 H new ATOM 0 HD2 PHE A 600 65.745 -3.521 11.533 1.00 0.00 H new ATOM 0 HE1 PHE A 600 67.379 -8.155 12.210 1.00 0.00 H new ATOM 0 HE2 PHE A 600 64.988 -4.829 13.499 1.00 0.00 H new ATOM 0 HZ PHE A 600 65.802 -7.147 13.836 1.00 0.00 H new ATOM 950 N LEU A 601 70.250 -5.528 9.686 1.00 0.00 N ATOM 951 CA LEU A 601 71.238 -6.517 10.192 1.00 0.00 C ATOM 952 C LEU A 601 72.456 -5.748 10.717 1.00 0.00 C ATOM 953 O LEU A 601 73.163 -6.194 11.597 1.00 0.00 O ATOM 954 CB LEU A 601 71.639 -7.418 9.021 1.00 0.00 C ATOM 955 CG LEU A 601 72.748 -8.383 9.434 1.00 0.00 C ATOM 956 CD1 LEU A 601 72.156 -9.513 10.279 1.00 0.00 C ATOM 957 CD2 LEU A 601 73.386 -8.965 8.171 1.00 0.00 C ATOM 0 H LEU A 601 69.999 -5.640 8.704 1.00 0.00 H new ATOM 0 HA LEU A 601 70.825 -7.126 10.996 1.00 0.00 H new ATOM 0 HB2 LEU A 601 70.772 -7.980 8.675 1.00 0.00 H new ATOM 0 HB3 LEU A 601 71.976 -6.806 8.184 1.00 0.00 H new ATOM 0 HG LEU A 601 73.500 -7.857 10.022 1.00 0.00 H new ATOM 0 HD11 LEU A 601 72.949 -10.201 10.573 1.00 0.00 H new ATOM 0 HD12 LEU A 601 71.689 -9.094 11.171 1.00 0.00 H new ATOM 0 HD13 LEU A 601 71.408 -10.050 9.696 1.00 0.00 H new ATOM 0 HD21 LEU A 601 74.181 -9.657 8.450 1.00 0.00 H new ATOM 0 HD22 LEU A 601 72.630 -9.496 7.593 1.00 0.00 H new ATOM 0 HD23 LEU A 601 73.803 -8.158 7.569 1.00 0.00 H new ATOM 969 N LYS A 602 72.684 -4.586 10.171 1.00 0.00 N ATOM 970 CA LYS A 602 73.830 -3.734 10.597 1.00 0.00 C ATOM 971 C LYS A 602 73.407 -2.830 11.761 1.00 0.00 C ATOM 972 O LYS A 602 74.175 -2.571 12.666 1.00 0.00 O ATOM 973 CB LYS A 602 74.243 -2.855 9.414 1.00 0.00 C ATOM 974 CG LYS A 602 75.766 -2.765 9.334 1.00 0.00 C ATOM 975 CD LYS A 602 76.344 -4.101 8.853 1.00 0.00 C ATOM 976 CE LYS A 602 76.079 -4.271 7.355 1.00 0.00 C ATOM 977 NZ LYS A 602 76.990 -5.314 6.805 1.00 0.00 N ATOM 0 H LYS A 602 72.111 -4.182 9.430 1.00 0.00 H new ATOM 0 HA LYS A 602 74.658 -4.367 10.917 1.00 0.00 H new ATOM 0 HB2 LYS A 602 73.846 -3.269 8.487 1.00 0.00 H new ATOM 0 HB3 LYS A 602 73.817 -1.858 9.526 1.00 0.00 H new ATOM 0 HG2 LYS A 602 76.056 -1.967 8.651 1.00 0.00 H new ATOM 0 HG3 LYS A 602 76.176 -2.513 10.312 1.00 0.00 H new ATOM 0 HD2 LYS A 602 77.416 -4.135 9.048 1.00 0.00 H new ATOM 0 HD3 LYS A 602 75.892 -4.924 9.407 1.00 0.00 H new ATOM 0 HE2 LYS A 602 75.040 -4.556 7.189 1.00 0.00 H new ATOM 0 HE3 LYS A 602 76.237 -3.325 6.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 602 76.810 -5.430 5.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 602 77.978 -5.024 6.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 602 76.818 -6.217 7.292 1.00 0.00 H new ATOM 991 N LEU A 603 72.199 -2.331 11.732 1.00 0.00 N ATOM 992 CA LEU A 603 71.730 -1.428 12.822 1.00 0.00 C ATOM 993 C LEU A 603 71.215 -2.259 13.998 1.00 0.00 C ATOM 994 O LEU A 603 71.663 -2.115 15.119 1.00 0.00 O ATOM 995 CB LEU A 603 70.590 -0.532 12.311 1.00 0.00 C ATOM 996 CG LEU A 603 70.822 -0.134 10.848 1.00 0.00 C ATOM 997 CD1 LEU A 603 69.748 0.870 10.420 1.00 0.00 C ATOM 998 CD2 LEU A 603 72.206 0.506 10.685 1.00 0.00 C ATOM 0 H LEU A 603 71.515 -2.511 10.997 1.00 0.00 H new ATOM 0 HA LEU A 603 72.566 -0.808 13.144 1.00 0.00 H new ATOM 0 HB2 LEU A 603 69.640 -1.058 12.403 1.00 0.00 H new ATOM 0 HB3 LEU A 603 70.520 0.363 12.929 1.00 0.00 H new ATOM 0 HG LEU A 603 70.767 -1.027 10.225 1.00 0.00 H new ATOM 0 HD11 LEU A 603 69.910 1.155 9.380 1.00 0.00 H new ATOM 0 HD12 LEU A 603 68.763 0.415 10.522 1.00 0.00 H new ATOM 0 HD13 LEU A 603 69.806 1.756 11.052 1.00 0.00 H new ATOM 0 HD21 LEU A 603 72.358 0.784 9.642 1.00 0.00 H new ATOM 0 HD22 LEU A 603 72.271 1.396 11.311 1.00 0.00 H new ATOM 0 HD23 LEU A 603 72.974 -0.206 10.986 1.00 0.00 H new ATOM 1010 N PHE A 604 70.267 -3.118 13.747 1.00 0.00 N ATOM 1011 CA PHE A 604 69.697 -3.958 14.838 1.00 0.00 C ATOM 1012 C PHE A 604 70.701 -5.037 15.251 1.00 0.00 C ATOM 1013 O PHE A 604 70.611 -5.594 16.328 1.00 0.00 O ATOM 1014 CB PHE A 604 68.412 -4.624 14.342 1.00 0.00 C ATOM 1015 CG PHE A 604 67.551 -5.005 15.525 1.00 0.00 C ATOM 1016 CD1 PHE A 604 66.841 -4.018 16.220 1.00 0.00 C ATOM 1017 CD2 PHE A 604 67.461 -6.344 15.924 1.00 0.00 C ATOM 1018 CE1 PHE A 604 66.042 -4.371 17.314 1.00 0.00 C ATOM 1019 CE2 PHE A 604 66.662 -6.696 17.019 1.00 0.00 C ATOM 1020 CZ PHE A 604 65.952 -5.709 17.713 1.00 0.00 C ATOM 0 H PHE A 604 69.859 -3.276 12.825 1.00 0.00 H new ATOM 0 HA PHE A 604 69.480 -3.326 15.699 1.00 0.00 H new ATOM 0 HB2 PHE A 604 67.867 -3.944 13.687 1.00 0.00 H new ATOM 0 HB3 PHE A 604 68.653 -5.510 13.754 1.00 0.00 H new ATOM 0 HD1 PHE A 604 66.910 -2.985 15.912 1.00 0.00 H new ATOM 0 HD2 PHE A 604 68.008 -7.105 15.387 1.00 0.00 H new ATOM 0 HE1 PHE A 604 65.495 -3.610 17.850 1.00 0.00 H new ATOM 0 HE2 PHE A 604 66.594 -7.729 17.328 1.00 0.00 H new ATOM 0 HZ PHE A 604 65.335 -5.980 18.557 1.00 0.00 H new ATOM 1030 N CYS A 605 71.650 -5.341 14.405 1.00 0.00 N ATOM 1031 CA CYS A 605 72.653 -6.391 14.757 1.00 0.00 C ATOM 1032 C CYS A 605 74.031 -6.000 14.207 1.00 0.00 C ATOM 1033 O CYS A 605 74.276 -4.814 14.073 1.00 0.00 O ATOM 1034 CB CYS A 605 72.209 -7.733 14.161 1.00 0.00 C ATOM 1035 SG CYS A 605 72.923 -9.088 15.125 1.00 0.00 S ATOM 1036 OXT CYS A 605 74.820 -6.892 13.936 1.00 0.00 O ATOM 0 H CYS A 605 71.774 -4.910 13.489 1.00 0.00 H new ATOM 0 HA CYS A 605 72.722 -6.482 15.841 1.00 0.00 H new ATOM 0 HB2 CYS A 605 71.121 -7.803 14.166 1.00 0.00 H new ATOM 0 HB3 CYS A 605 72.528 -7.805 13.121 1.00 0.00 H new ATOM 0 HG CYS A 605 72.545 -10.225 14.621 1.00 0.00 H new TER 1042 CYS A 605 HETATM 1043 ZN ZN A 701 57.018 7.747 -5.787 1.00 0.00 ZN HETATM 1044 ZN ZN A 702 69.776 0.675 3.865 1.00 0.00 ZN