USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=14 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 Single : A 541 TYR OH : rot 180:sc= 0 USER MOD Single : A 542 HIS : no HD1:sc= -2.8! C(o=-2.8!,f=-6.3!) USER MOD Single : A 547 SER OG : rot 170:sc= -0.271 USER MOD Single : A 550 SER OG : rot -53:sc= -0.662 USER MOD Single : A 553 GLN : amide:sc= -5.23! K(o=-5.2!,f=-2.5) USER MOD Single : A 554 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 557 THR OG1 : rot 44:sc= 0.536 USER MOD Single : A 560 CYS SG : rot 25:sc= 0.85 USER MOD Single : A 562 THR OG1 : rot 180:sc= 0 USER MOD Single : A 564 MET CE :methyl -156:sc= -0.531 (180deg=-2.11) USER MOD Single : A 566 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 567 LYS NZ :NH3+ -107:sc= -0.137 (180deg=-1.76!) USER MOD Single : A 580 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0269) USER MOD Single : A 581 GLN : amide:sc= -0.672 K(o=-0.67,f=0) USER MOD Single : A 583 ASN : amide:sc= -0.814 K(o=-0.81,f=-2.2) USER MOD Single : A 584 LYS NZ :NH3+ -136:sc= 0.23 (180deg=-0.802) USER MOD Single : A 586 THR OG1 : rot 180:sc= 0 USER MOD Single : A 588 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 590 GLN : amide:sc= -2.99 K(o=-3,f=-0.78) USER MOD Single : A 591 ASN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 593 LYS NZ :NH3+ -173:sc= 1.03 (180deg=0.994) USER MOD Single : A 595 TYR OH : rot 180:sc= -0.0382 USER MOD Single : A 597 GLN : amide:sc= -4.24! C(o=-4.2!,f=-2.1!) USER MOD Single : A 598 ASN : amide:sc= -5.54! C(o=-5.5!,f=-1.6!) USER MOD Single : A 602 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 605 CYS SG : rot 180:sc= -0.0888 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 541 36.405 4.120 -13.227 1.00 0.00 N ATOM 2 CA TYR A 541 37.625 3.425 -13.729 1.00 0.00 C ATOM 3 C TYR A 541 38.559 4.448 -14.385 1.00 0.00 C ATOM 4 O TYR A 541 38.566 4.614 -15.590 1.00 0.00 O ATOM 5 CB TYR A 541 37.222 2.361 -14.756 1.00 0.00 C ATOM 6 CG TYR A 541 36.305 1.350 -14.106 1.00 0.00 C ATOM 7 CD1 TYR A 541 36.845 0.266 -13.403 1.00 0.00 C ATOM 8 CD2 TYR A 541 34.916 1.499 -14.204 1.00 0.00 C ATOM 9 CE1 TYR A 541 35.996 -0.669 -12.799 1.00 0.00 C ATOM 10 CE2 TYR A 541 34.068 0.563 -13.600 1.00 0.00 C ATOM 11 CZ TYR A 541 34.608 -0.520 -12.897 1.00 0.00 C ATOM 12 OH TYR A 541 33.771 -1.441 -12.302 1.00 0.00 O ATOM 0 HA TYR A 541 38.140 2.945 -12.897 1.00 0.00 H new ATOM 0 HB2 TYR A 541 36.721 2.830 -15.603 1.00 0.00 H new ATOM 0 HB3 TYR A 541 38.110 1.863 -15.147 1.00 0.00 H new ATOM 0 HD1 TYR A 541 37.916 0.151 -13.327 1.00 0.00 H new ATOM 0 HD2 TYR A 541 34.499 2.336 -14.745 1.00 0.00 H new ATOM 0 HE1 TYR A 541 36.412 -1.505 -12.257 1.00 0.00 H new ATOM 0 HE2 TYR A 541 32.997 0.677 -13.677 1.00 0.00 H new ATOM 0 HH TYR A 541 32.838 -1.189 -12.465 1.00 0.00 H new ATOM 22 N HIS A 542 39.345 5.136 -13.599 1.00 0.00 N ATOM 23 CA HIS A 542 40.280 6.152 -14.169 1.00 0.00 C ATOM 24 C HIS A 542 41.293 6.567 -13.102 1.00 0.00 C ATOM 25 O HIS A 542 42.487 6.566 -13.328 1.00 0.00 O ATOM 26 CB HIS A 542 39.485 7.379 -14.633 1.00 0.00 C ATOM 27 CG HIS A 542 38.778 8.013 -13.464 1.00 0.00 C ATOM 28 ND1 HIS A 542 37.895 7.307 -12.662 1.00 0.00 N ATOM 29 CD2 HIS A 542 38.812 9.286 -12.953 1.00 0.00 C ATOM 30 CE1 HIS A 542 37.438 8.152 -11.721 1.00 0.00 C ATOM 31 NE2 HIS A 542 37.965 9.372 -11.853 1.00 0.00 N ATOM 0 H HIS A 542 39.380 5.038 -12.584 1.00 0.00 H new ATOM 0 HA HIS A 542 40.808 5.723 -15.021 1.00 0.00 H new ATOM 0 HB2 HIS A 542 40.156 8.102 -15.097 1.00 0.00 H new ATOM 0 HB3 HIS A 542 38.759 7.086 -15.391 1.00 0.00 H new ATOM 0 HD2 HIS A 542 39.406 10.098 -13.345 1.00 0.00 H new ATOM 0 HE1 HIS A 542 36.731 7.877 -10.952 1.00 0.00 H new ATOM 0 HE2 HIS A 542 37.785 10.191 -11.272 1.00 0.00 H new ATOM 39 N GLU A 543 40.816 6.921 -11.943 1.00 0.00 N ATOM 40 CA GLU A 543 41.733 7.342 -10.843 1.00 0.00 C ATOM 41 C GLU A 543 42.608 6.158 -10.425 1.00 0.00 C ATOM 42 O GLU A 543 43.807 6.161 -10.622 1.00 0.00 O ATOM 43 CB GLU A 543 40.908 7.819 -9.643 1.00 0.00 C ATOM 44 CG GLU A 543 40.631 9.318 -9.774 1.00 0.00 C ATOM 45 CD GLU A 543 39.561 9.732 -8.761 1.00 0.00 C ATOM 46 OE1 GLU A 543 39.919 10.343 -7.767 1.00 0.00 O ATOM 47 OE2 GLU A 543 38.402 9.431 -8.995 1.00 0.00 O ATOM 0 H GLU A 543 39.824 6.938 -11.706 1.00 0.00 H new ATOM 0 HA GLU A 543 42.368 8.156 -11.192 1.00 0.00 H new ATOM 0 HB2 GLU A 543 39.969 7.268 -9.593 1.00 0.00 H new ATOM 0 HB3 GLU A 543 41.445 7.618 -8.716 1.00 0.00 H new ATOM 0 HG2 GLU A 543 41.547 9.884 -9.603 1.00 0.00 H new ATOM 0 HG3 GLU A 543 40.298 9.550 -10.786 1.00 0.00 H new ATOM 54 N ARG A 544 42.014 5.146 -9.850 1.00 0.00 N ATOM 55 CA ARG A 544 42.808 3.959 -9.420 1.00 0.00 C ATOM 56 C ARG A 544 43.187 3.131 -10.650 1.00 0.00 C ATOM 57 O ARG A 544 42.341 2.564 -11.314 1.00 0.00 O ATOM 58 CB ARG A 544 41.977 3.101 -8.460 1.00 0.00 C ATOM 59 CG ARG A 544 42.787 1.867 -8.037 1.00 0.00 C ATOM 60 CD ARG A 544 43.559 2.170 -6.750 1.00 0.00 C ATOM 61 NE ARG A 544 43.322 1.086 -5.740 1.00 0.00 N ATOM 62 CZ ARG A 544 42.114 0.669 -5.454 1.00 0.00 C ATOM 63 NH1 ARG A 544 41.955 -0.333 -4.635 1.00 0.00 N ATOM 64 NH2 ARG A 544 41.068 1.267 -5.956 1.00 0.00 N ATOM 0 H ARG A 544 41.013 5.090 -9.660 1.00 0.00 H new ATOM 0 HA ARG A 544 43.712 4.293 -8.911 1.00 0.00 H new ATOM 0 HB2 ARG A 544 41.700 3.685 -7.582 1.00 0.00 H new ATOM 0 HB3 ARG A 544 41.050 2.792 -8.943 1.00 0.00 H new ATOM 0 HG2 ARG A 544 42.120 1.019 -7.881 1.00 0.00 H new ATOM 0 HG3 ARG A 544 43.480 1.586 -8.830 1.00 0.00 H new ATOM 0 HD2 ARG A 544 44.624 2.250 -6.966 1.00 0.00 H new ATOM 0 HD3 ARG A 544 43.243 3.131 -6.345 1.00 0.00 H new ATOM 0 HE ARG A 544 44.120 0.664 -5.265 1.00 0.00 H new ATOM 0 HH11 ARG A 544 42.769 -0.787 -4.221 1.00 0.00 H new ATOM 0 HH12 ARG A 544 41.017 -0.662 -4.408 1.00 0.00 H new ATOM 0 HH21 ARG A 544 41.187 2.067 -6.577 1.00 0.00 H new ATOM 0 HH22 ARG A 544 40.131 0.934 -5.727 1.00 0.00 H new ATOM 78 N ARG A 545 44.456 3.061 -10.952 1.00 0.00 N ATOM 79 CA ARG A 545 44.912 2.274 -12.133 1.00 0.00 C ATOM 80 C ARG A 545 45.743 1.081 -11.654 1.00 0.00 C ATOM 81 O ARG A 545 46.251 0.309 -12.444 1.00 0.00 O ATOM 82 CB ARG A 545 45.767 3.166 -13.036 1.00 0.00 C ATOM 83 CG ARG A 545 45.075 4.521 -13.209 1.00 0.00 C ATOM 84 CD ARG A 545 45.664 5.251 -14.416 1.00 0.00 C ATOM 85 NE ARG A 545 44.893 6.506 -14.654 1.00 0.00 N ATOM 86 CZ ARG A 545 45.367 7.434 -15.442 1.00 0.00 C ATOM 87 NH1 ARG A 545 44.686 8.528 -15.639 1.00 0.00 N ATOM 88 NH2 ARG A 545 46.519 7.271 -16.033 1.00 0.00 N ATOM 0 H ARG A 545 45.201 3.519 -10.427 1.00 0.00 H new ATOM 0 HA ARG A 545 44.048 1.914 -12.692 1.00 0.00 H new ATOM 0 HB2 ARG A 545 46.756 3.303 -12.600 1.00 0.00 H new ATOM 0 HB3 ARG A 545 45.909 2.691 -14.007 1.00 0.00 H new ATOM 0 HG2 ARG A 545 44.003 4.378 -13.346 1.00 0.00 H new ATOM 0 HG3 ARG A 545 45.204 5.123 -12.310 1.00 0.00 H new ATOM 0 HD2 ARG A 545 46.714 5.483 -14.239 1.00 0.00 H new ATOM 0 HD3 ARG A 545 45.623 4.612 -15.298 1.00 0.00 H new ATOM 0 HE ARG A 545 43.990 6.640 -14.199 1.00 0.00 H new ATOM 0 HH11 ARG A 545 43.785 8.658 -15.178 1.00 0.00 H new ATOM 0 HH12 ARG A 545 45.054 9.254 -16.254 1.00 0.00 H new ATOM 0 HH21 ARG A 545 47.054 6.416 -15.881 1.00 0.00 H new ATOM 0 HH22 ARG A 545 46.885 7.999 -16.647 1.00 0.00 H new ATOM 102 N GLY A 546 45.884 0.928 -10.363 1.00 0.00 N ATOM 103 CA GLY A 546 46.680 -0.211 -9.823 1.00 0.00 C ATOM 104 C GLY A 546 46.928 0.000 -8.328 1.00 0.00 C ATOM 105 O GLY A 546 46.009 0.002 -7.532 1.00 0.00 O ATOM 0 H GLY A 546 45.480 1.545 -9.658 1.00 0.00 H new ATOM 0 HA2 GLY A 546 46.148 -1.149 -9.985 1.00 0.00 H new ATOM 0 HA3 GLY A 546 47.630 -0.288 -10.352 1.00 0.00 H new ATOM 109 N SER A 547 48.166 0.176 -7.945 1.00 0.00 N ATOM 110 CA SER A 547 48.493 0.386 -6.503 1.00 0.00 C ATOM 111 C SER A 547 49.195 1.735 -6.336 1.00 0.00 C ATOM 112 O SER A 547 50.194 2.001 -6.971 1.00 0.00 O ATOM 113 CB SER A 547 49.424 -0.733 -6.033 1.00 0.00 C ATOM 114 OG SER A 547 48.734 -1.559 -5.104 1.00 0.00 O ATOM 0 H SER A 547 48.970 0.183 -8.573 1.00 0.00 H new ATOM 0 HA SER A 547 47.578 0.376 -5.911 1.00 0.00 H new ATOM 0 HB2 SER A 547 49.759 -1.325 -6.885 1.00 0.00 H new ATOM 0 HB3 SER A 547 50.315 -0.310 -5.569 1.00 0.00 H new ATOM 0 HG SER A 547 49.265 -2.363 -4.924 1.00 0.00 H new ATOM 120 N LEU A 548 48.681 2.590 -5.491 1.00 0.00 N ATOM 121 CA LEU A 548 49.325 3.921 -5.297 1.00 0.00 C ATOM 122 C LEU A 548 50.644 3.754 -4.545 1.00 0.00 C ATOM 123 O LEU A 548 50.732 3.024 -3.578 1.00 0.00 O ATOM 124 CB LEU A 548 48.401 4.839 -4.491 1.00 0.00 C ATOM 125 CG LEU A 548 47.425 5.556 -5.431 1.00 0.00 C ATOM 126 CD1 LEU A 548 46.664 4.532 -6.276 1.00 0.00 C ATOM 127 CD2 LEU A 548 46.429 6.373 -4.603 1.00 0.00 C ATOM 0 H LEU A 548 47.846 2.424 -4.929 1.00 0.00 H new ATOM 0 HA LEU A 548 49.514 4.364 -6.275 1.00 0.00 H new ATOM 0 HB2 LEU A 548 47.848 4.256 -3.755 1.00 0.00 H new ATOM 0 HB3 LEU A 548 48.992 5.571 -3.940 1.00 0.00 H new ATOM 0 HG LEU A 548 47.986 6.218 -6.091 1.00 0.00 H new ATOM 0 HD11 LEU A 548 45.973 5.050 -6.941 1.00 0.00 H new ATOM 0 HD12 LEU A 548 47.371 3.952 -6.869 1.00 0.00 H new ATOM 0 HD13 LEU A 548 46.105 3.863 -5.621 1.00 0.00 H new ATOM 0 HD21 LEU A 548 45.734 6.884 -5.270 1.00 0.00 H new ATOM 0 HD22 LEU A 548 45.874 5.708 -3.941 1.00 0.00 H new ATOM 0 HD23 LEU A 548 46.969 7.110 -4.008 1.00 0.00 H new ATOM 139 N CYS A 549 51.664 4.445 -4.973 1.00 0.00 N ATOM 140 CA CYS A 549 52.976 4.358 -4.282 1.00 0.00 C ATOM 141 C CYS A 549 52.902 5.219 -3.036 1.00 0.00 C ATOM 142 O CYS A 549 52.810 6.427 -3.121 1.00 0.00 O ATOM 143 CB CYS A 549 54.078 4.881 -5.210 1.00 0.00 C ATOM 144 SG CYS A 549 55.369 5.731 -4.251 1.00 0.00 S ATOM 0 H CYS A 549 51.642 5.070 -5.778 1.00 0.00 H new ATOM 0 HA CYS A 549 53.203 3.326 -4.016 1.00 0.00 H new ATOM 0 HB2 CYS A 549 54.516 4.053 -5.767 1.00 0.00 H new ATOM 0 HB3 CYS A 549 53.650 5.566 -5.942 1.00 0.00 H new ATOM 149 N SER A 550 52.930 4.618 -1.881 1.00 0.00 N ATOM 150 CA SER A 550 52.855 5.428 -0.641 1.00 0.00 C ATOM 151 C SER A 550 53.926 6.511 -0.729 1.00 0.00 C ATOM 152 O SER A 550 55.109 6.237 -0.750 1.00 0.00 O ATOM 153 CB SER A 550 53.088 4.548 0.581 1.00 0.00 C ATOM 154 OG SER A 550 52.143 3.486 0.581 1.00 0.00 O ATOM 0 H SER A 550 53.001 3.610 -1.744 1.00 0.00 H new ATOM 0 HA SER A 550 51.868 5.879 -0.541 1.00 0.00 H new ATOM 0 HB2 SER A 550 54.102 4.148 0.568 1.00 0.00 H new ATOM 0 HB3 SER A 550 52.990 5.138 1.492 1.00 0.00 H new ATOM 0 HG SER A 550 51.238 3.853 0.500 1.00 0.00 H new ATOM 160 N GLY A 551 53.503 7.733 -0.836 1.00 0.00 N ATOM 161 CA GLY A 551 54.462 8.862 -0.987 1.00 0.00 C ATOM 162 C GLY A 551 54.113 9.588 -2.285 1.00 0.00 C ATOM 163 O GLY A 551 54.287 10.784 -2.412 1.00 0.00 O ATOM 0 H GLY A 551 52.520 8.005 -0.825 1.00 0.00 H new ATOM 0 HA2 GLY A 551 54.392 9.541 -0.137 1.00 0.00 H new ATOM 0 HA3 GLY A 551 55.487 8.493 -1.017 1.00 0.00 H new ATOM 167 N CYS A 552 53.606 8.855 -3.248 1.00 0.00 N ATOM 168 CA CYS A 552 53.216 9.463 -4.552 1.00 0.00 C ATOM 169 C CYS A 552 51.693 9.534 -4.642 1.00 0.00 C ATOM 170 O CYS A 552 51.145 10.373 -5.329 1.00 0.00 O ATOM 171 CB CYS A 552 53.727 8.583 -5.692 1.00 0.00 C ATOM 172 SG CYS A 552 55.381 9.117 -6.175 1.00 0.00 S ATOM 0 H CYS A 552 53.446 7.850 -3.181 1.00 0.00 H new ATOM 0 HA CYS A 552 53.644 10.463 -4.626 1.00 0.00 H new ATOM 0 HB2 CYS A 552 53.748 7.539 -5.378 1.00 0.00 H new ATOM 0 HB3 CYS A 552 53.050 8.646 -6.544 1.00 0.00 H new ATOM 177 N GLN A 553 51.009 8.641 -3.969 1.00 0.00 N ATOM 178 CA GLN A 553 49.518 8.627 -4.025 1.00 0.00 C ATOM 179 C GLN A 553 49.080 8.470 -5.483 1.00 0.00 C ATOM 180 O GLN A 553 48.024 8.921 -5.885 1.00 0.00 O ATOM 181 CB GLN A 553 48.960 9.930 -3.440 1.00 0.00 C ATOM 182 CG GLN A 553 49.240 9.977 -1.934 1.00 0.00 C ATOM 183 CD GLN A 553 50.702 10.362 -1.686 1.00 0.00 C ATOM 184 OE1 GLN A 553 51.217 11.274 -2.300 1.00 0.00 O ATOM 185 NE2 GLN A 553 51.395 9.700 -0.802 1.00 0.00 N ATOM 0 H GLN A 553 51.424 7.918 -3.381 1.00 0.00 H new ATOM 0 HA GLN A 553 49.133 7.794 -3.437 1.00 0.00 H new ATOM 0 HB2 GLN A 553 49.418 10.788 -3.933 1.00 0.00 H new ATOM 0 HB3 GLN A 553 47.887 9.993 -3.623 1.00 0.00 H new ATOM 0 HG2 GLN A 553 48.579 10.699 -1.455 1.00 0.00 H new ATOM 0 HG3 GLN A 553 49.030 9.006 -1.486 1.00 0.00 H new ATOM 0 HE21 GLN A 553 50.963 8.934 -0.285 1.00 0.00 H new ATOM 0 HE22 GLN A 553 52.369 9.949 -0.627 1.00 0.00 H new ATOM 194 N LYS A 554 49.894 7.816 -6.270 1.00 0.00 N ATOM 195 CA LYS A 554 49.563 7.592 -7.705 1.00 0.00 C ATOM 196 C LYS A 554 49.854 6.127 -8.030 1.00 0.00 C ATOM 197 O LYS A 554 50.820 5.569 -7.545 1.00 0.00 O ATOM 198 CB LYS A 554 50.435 8.496 -8.586 1.00 0.00 C ATOM 199 CG LYS A 554 50.014 9.960 -8.412 1.00 0.00 C ATOM 200 CD LYS A 554 48.594 10.158 -8.951 1.00 0.00 C ATOM 201 CE LYS A 554 48.362 11.640 -9.256 1.00 0.00 C ATOM 202 NZ LYS A 554 46.925 11.861 -9.588 1.00 0.00 N ATOM 0 H LYS A 554 50.787 7.423 -5.973 1.00 0.00 H new ATOM 0 HA LYS A 554 48.515 7.826 -7.894 1.00 0.00 H new ATOM 0 HB2 LYS A 554 51.485 8.376 -8.318 1.00 0.00 H new ATOM 0 HB3 LYS A 554 50.338 8.203 -9.631 1.00 0.00 H new ATOM 0 HG2 LYS A 554 50.055 10.237 -7.359 1.00 0.00 H new ATOM 0 HG3 LYS A 554 50.708 10.613 -8.941 1.00 0.00 H new ATOM 0 HD2 LYS A 554 48.451 9.564 -9.854 1.00 0.00 H new ATOM 0 HD3 LYS A 554 47.865 9.808 -8.220 1.00 0.00 H new ATOM 0 HE2 LYS A 554 48.645 12.248 -8.397 1.00 0.00 H new ATOM 0 HE3 LYS A 554 48.991 11.953 -10.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 554 46.767 12.868 -9.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 554 46.670 11.292 -10.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 554 46.334 11.577 -8.780 1.00 0.00 H new ATOM 216 N PRO A 555 49.024 5.498 -8.827 1.00 0.00 N ATOM 217 CA PRO A 555 49.216 4.067 -9.179 1.00 0.00 C ATOM 218 C PRO A 555 50.651 3.717 -9.561 1.00 0.00 C ATOM 219 O PRO A 555 51.417 4.547 -10.014 1.00 0.00 O ATOM 220 CB PRO A 555 48.278 3.889 -10.363 1.00 0.00 C ATOM 221 CG PRO A 555 47.306 5.075 -10.383 1.00 0.00 C ATOM 222 CD PRO A 555 47.840 6.161 -9.438 1.00 0.00 C ATOM 0 HA PRO A 555 49.008 3.410 -8.335 1.00 0.00 H new ATOM 0 HB2 PRO A 555 48.844 3.845 -11.294 1.00 0.00 H new ATOM 0 HB3 PRO A 555 47.731 2.950 -10.278 1.00 0.00 H new ATOM 0 HG2 PRO A 555 47.209 5.468 -11.395 1.00 0.00 H new ATOM 0 HG3 PRO A 555 46.312 4.755 -10.069 1.00 0.00 H new ATOM 0 HD2 PRO A 555 48.115 7.068 -9.976 1.00 0.00 H new ATOM 0 HD3 PRO A 555 47.102 6.446 -8.688 1.00 0.00 H new ATOM 230 N ILE A 556 51.008 2.481 -9.368 1.00 0.00 N ATOM 231 CA ILE A 556 52.380 2.022 -9.693 1.00 0.00 C ATOM 232 C ILE A 556 52.328 1.154 -10.953 1.00 0.00 C ATOM 233 O ILE A 556 52.053 -0.030 -10.895 1.00 0.00 O ATOM 234 CB ILE A 556 52.906 1.215 -8.504 1.00 0.00 C ATOM 235 CG1 ILE A 556 53.111 2.157 -7.308 1.00 0.00 C ATOM 236 CG2 ILE A 556 54.237 0.553 -8.872 1.00 0.00 C ATOM 237 CD1 ILE A 556 53.050 1.365 -5.997 1.00 0.00 C ATOM 0 H ILE A 556 50.395 1.758 -8.992 1.00 0.00 H new ATOM 0 HA ILE A 556 53.043 2.867 -9.879 1.00 0.00 H new ATOM 0 HB ILE A 556 52.185 0.440 -8.243 1.00 0.00 H new ATOM 0 HG12 ILE A 556 54.074 2.661 -7.393 1.00 0.00 H new ATOM 0 HG13 ILE A 556 52.344 2.932 -7.310 1.00 0.00 H new ATOM 0 HG21 ILE A 556 54.606 -0.020 -8.021 1.00 0.00 H new ATOM 0 HG22 ILE A 556 54.089 -0.114 -9.722 1.00 0.00 H new ATOM 0 HG23 ILE A 556 54.965 1.321 -9.135 1.00 0.00 H new ATOM 0 HD11 ILE A 556 53.197 2.042 -5.156 1.00 0.00 H new ATOM 0 HD12 ILE A 556 52.077 0.882 -5.909 1.00 0.00 H new ATOM 0 HD13 ILE A 556 53.833 0.607 -5.993 1.00 0.00 H new ATOM 249 N THR A 557 52.579 1.741 -12.094 1.00 0.00 N ATOM 250 CA THR A 557 52.536 0.965 -13.368 1.00 0.00 C ATOM 251 C THR A 557 53.843 0.187 -13.545 1.00 0.00 C ATOM 252 O THR A 557 54.868 0.742 -13.893 1.00 0.00 O ATOM 253 CB THR A 557 52.340 1.930 -14.542 1.00 0.00 C ATOM 254 OG1 THR A 557 53.308 2.967 -14.466 1.00 0.00 O ATOM 255 CG2 THR A 557 50.934 2.534 -14.480 1.00 0.00 C ATOM 0 H THR A 557 52.813 2.728 -12.198 1.00 0.00 H new ATOM 0 HA THR A 557 51.706 0.259 -13.337 1.00 0.00 H new ATOM 0 HB THR A 557 52.459 1.390 -15.481 1.00 0.00 H new ATOM 0 HG1 THR A 557 54.182 2.583 -14.243 1.00 0.00 H new ATOM 0 HG21 THR A 557 50.796 3.220 -15.315 1.00 0.00 H new ATOM 0 HG22 THR A 557 50.193 1.737 -14.538 1.00 0.00 H new ATOM 0 HG23 THR A 557 50.812 3.075 -13.542 1.00 0.00 H new ATOM 263 N GLY A 558 53.807 -1.096 -13.297 1.00 0.00 N ATOM 264 CA GLY A 558 55.030 -1.939 -13.432 1.00 0.00 C ATOM 265 C GLY A 558 55.245 -2.686 -12.119 1.00 0.00 C ATOM 266 O GLY A 558 54.302 -2.997 -11.417 1.00 0.00 O ATOM 0 H GLY A 558 52.971 -1.601 -13.003 1.00 0.00 H new ATOM 0 HA2 GLY A 558 54.916 -2.644 -14.256 1.00 0.00 H new ATOM 0 HA3 GLY A 558 55.896 -1.318 -13.662 1.00 0.00 H new ATOM 270 N ARG A 559 56.471 -2.963 -11.767 1.00 0.00 N ATOM 271 CA ARG A 559 56.727 -3.670 -10.482 1.00 0.00 C ATOM 272 C ARG A 559 56.234 -2.785 -9.341 1.00 0.00 C ATOM 273 O ARG A 559 56.025 -1.600 -9.515 1.00 0.00 O ATOM 274 CB ARG A 559 58.228 -3.929 -10.328 1.00 0.00 C ATOM 275 CG ARG A 559 58.614 -5.201 -11.090 1.00 0.00 C ATOM 276 CD ARG A 559 58.790 -6.360 -10.105 1.00 0.00 C ATOM 277 NE ARG A 559 59.035 -7.621 -10.865 1.00 0.00 N ATOM 278 CZ ARG A 559 59.494 -8.683 -10.257 1.00 0.00 C ATOM 279 NH1 ARG A 559 59.710 -9.776 -10.934 1.00 0.00 N ATOM 280 NH2 ARG A 559 59.735 -8.655 -8.975 1.00 0.00 N ATOM 0 H ARG A 559 57.302 -2.731 -12.311 1.00 0.00 H new ATOM 0 HA ARG A 559 56.203 -4.626 -10.466 1.00 0.00 H new ATOM 0 HB2 ARG A 559 58.794 -3.079 -10.709 1.00 0.00 H new ATOM 0 HB3 ARG A 559 58.482 -4.034 -9.273 1.00 0.00 H new ATOM 0 HG2 ARG A 559 57.844 -5.446 -11.821 1.00 0.00 H new ATOM 0 HG3 ARG A 559 59.539 -5.038 -11.644 1.00 0.00 H new ATOM 0 HD2 ARG A 559 59.625 -6.158 -9.434 1.00 0.00 H new ATOM 0 HD3 ARG A 559 57.900 -6.463 -9.484 1.00 0.00 H new ATOM 0 HE ARG A 559 58.843 -7.654 -11.866 1.00 0.00 H new ATOM 0 HH11 ARG A 559 59.521 -9.801 -11.936 1.00 0.00 H new ATOM 0 HH12 ARG A 559 60.068 -10.606 -10.462 1.00 0.00 H new ATOM 0 HH21 ARG A 559 59.565 -7.802 -8.443 1.00 0.00 H new ATOM 0 HH22 ARG A 559 60.093 -9.486 -8.505 1.00 0.00 H new ATOM 294 N CYS A 560 56.036 -3.340 -8.178 1.00 0.00 N ATOM 295 CA CYS A 560 55.547 -2.510 -7.043 1.00 0.00 C ATOM 296 C CYS A 560 55.939 -3.153 -5.717 1.00 0.00 C ATOM 297 O CYS A 560 55.824 -4.349 -5.532 1.00 0.00 O ATOM 298 CB CYS A 560 54.024 -2.386 -7.123 1.00 0.00 C ATOM 299 SG CYS A 560 53.263 -3.994 -6.784 1.00 0.00 S ATOM 0 H CYS A 560 56.190 -4.326 -7.965 1.00 0.00 H new ATOM 0 HA CYS A 560 55.999 -1.520 -7.103 1.00 0.00 H new ATOM 0 HB2 CYS A 560 53.671 -1.647 -6.404 1.00 0.00 H new ATOM 0 HB3 CYS A 560 53.729 -2.034 -8.112 1.00 0.00 H new ATOM 0 HG CYS A 560 54.072 -4.714 -6.064 1.00 0.00 H new ATOM 305 N ILE A 561 56.400 -2.357 -4.793 1.00 0.00 N ATOM 306 CA ILE A 561 56.803 -2.899 -3.466 1.00 0.00 C ATOM 307 C ILE A 561 55.603 -2.860 -2.521 1.00 0.00 C ATOM 308 O ILE A 561 54.706 -2.054 -2.677 1.00 0.00 O ATOM 309 CB ILE A 561 57.934 -2.045 -2.881 1.00 0.00 C ATOM 310 CG1 ILE A 561 58.878 -1.590 -4.005 1.00 0.00 C ATOM 311 CG2 ILE A 561 58.714 -2.868 -1.854 1.00 0.00 C ATOM 312 CD1 ILE A 561 59.546 -2.805 -4.657 1.00 0.00 C ATOM 0 H ILE A 561 56.515 -1.349 -4.901 1.00 0.00 H new ATOM 0 HA ILE A 561 57.148 -3.926 -3.584 1.00 0.00 H new ATOM 0 HB ILE A 561 57.509 -1.167 -2.395 1.00 0.00 H new ATOM 0 HG12 ILE A 561 58.320 -1.027 -4.753 1.00 0.00 H new ATOM 0 HG13 ILE A 561 59.638 -0.920 -3.603 1.00 0.00 H new ATOM 0 HG21 ILE A 561 59.518 -2.262 -1.437 1.00 0.00 H new ATOM 0 HG22 ILE A 561 58.044 -3.181 -1.054 1.00 0.00 H new ATOM 0 HG23 ILE A 561 59.137 -3.748 -2.338 1.00 0.00 H new ATOM 0 HD11 ILE A 561 60.213 -2.471 -5.452 1.00 0.00 H new ATOM 0 HD12 ILE A 561 60.120 -3.350 -3.908 1.00 0.00 H new ATOM 0 HD13 ILE A 561 58.781 -3.459 -5.076 1.00 0.00 H new ATOM 324 N THR A 562 55.585 -3.721 -1.539 1.00 0.00 N ATOM 325 CA THR A 562 54.451 -3.737 -0.571 1.00 0.00 C ATOM 326 C THR A 562 55.012 -3.793 0.849 1.00 0.00 C ATOM 327 O THR A 562 55.481 -4.820 1.303 1.00 0.00 O ATOM 328 CB THR A 562 53.570 -4.964 -0.823 1.00 0.00 C ATOM 329 OG1 THR A 562 53.033 -4.897 -2.137 1.00 0.00 O ATOM 330 CG2 THR A 562 52.428 -4.995 0.196 1.00 0.00 C ATOM 0 H THR A 562 56.310 -4.417 -1.365 1.00 0.00 H new ATOM 0 HA THR A 562 53.850 -2.837 -0.697 1.00 0.00 H new ATOM 0 HB THR A 562 54.169 -5.869 -0.720 1.00 0.00 H new ATOM 0 HG1 THR A 562 52.470 -5.682 -2.301 1.00 0.00 H new ATOM 0 HG21 THR A 562 51.802 -5.869 0.015 1.00 0.00 H new ATOM 0 HG22 THR A 562 52.841 -5.047 1.204 1.00 0.00 H new ATOM 0 HG23 THR A 562 51.827 -4.091 0.096 1.00 0.00 H new ATOM 338 N ALA A 563 54.967 -2.696 1.550 1.00 0.00 N ATOM 339 CA ALA A 563 55.494 -2.672 2.942 1.00 0.00 C ATOM 340 C ALA A 563 54.380 -3.089 3.903 1.00 0.00 C ATOM 341 O ALA A 563 53.720 -4.088 3.695 1.00 0.00 O ATOM 342 CB ALA A 563 55.978 -1.256 3.268 1.00 0.00 C ATOM 0 H ALA A 563 54.586 -1.810 1.217 1.00 0.00 H new ATOM 0 HA ALA A 563 56.329 -3.365 3.044 1.00 0.00 H new ATOM 0 HB1 ALA A 563 56.366 -1.229 4.286 1.00 0.00 H new ATOM 0 HB2 ALA A 563 56.767 -0.972 2.572 1.00 0.00 H new ATOM 0 HB3 ALA A 563 55.146 -0.557 3.178 1.00 0.00 H new ATOM 348 N MET A 564 54.154 -2.329 4.942 1.00 0.00 N ATOM 349 CA MET A 564 53.066 -2.675 5.900 1.00 0.00 C ATOM 350 C MET A 564 51.733 -2.373 5.221 1.00 0.00 C ATOM 351 O MET A 564 50.981 -1.518 5.650 1.00 0.00 O ATOM 352 CB MET A 564 53.200 -1.818 7.157 1.00 0.00 C ATOM 353 CG MET A 564 54.507 -2.153 7.879 1.00 0.00 C ATOM 354 SD MET A 564 54.648 -1.128 9.365 1.00 0.00 S ATOM 355 CE MET A 564 55.505 -2.337 10.404 1.00 0.00 C ATOM 0 H MET A 564 54.677 -1.483 5.168 1.00 0.00 H new ATOM 0 HA MET A 564 53.125 -3.727 6.181 1.00 0.00 H new ATOM 0 HB2 MET A 564 53.182 -0.761 6.891 1.00 0.00 H new ATOM 0 HB3 MET A 564 52.353 -1.994 7.820 1.00 0.00 H new ATOM 0 HG2 MET A 564 54.527 -3.209 8.148 1.00 0.00 H new ATOM 0 HG3 MET A 564 55.356 -1.976 7.219 1.00 0.00 H new ATOM 0 HE1 MET A 564 55.325 -2.107 11.454 1.00 0.00 H new ATOM 0 HE2 MET A 564 55.132 -3.337 10.182 1.00 0.00 H new ATOM 0 HE3 MET A 564 56.575 -2.296 10.202 1.00 0.00 H new ATOM 365 N ALA A 565 51.472 -3.043 4.133 1.00 0.00 N ATOM 366 CA ALA A 565 50.222 -2.796 3.355 1.00 0.00 C ATOM 367 C ALA A 565 50.434 -1.531 2.521 1.00 0.00 C ATOM 368 O ALA A 565 49.676 -1.227 1.621 1.00 0.00 O ATOM 369 CB ALA A 565 49.023 -2.613 4.296 1.00 0.00 C ATOM 0 H ALA A 565 52.081 -3.763 3.743 1.00 0.00 H new ATOM 0 HA ALA A 565 50.009 -3.649 2.711 1.00 0.00 H new ATOM 0 HB1 ALA A 565 48.123 -2.434 3.708 1.00 0.00 H new ATOM 0 HB2 ALA A 565 48.891 -3.513 4.897 1.00 0.00 H new ATOM 0 HB3 ALA A 565 49.202 -1.762 4.953 1.00 0.00 H new ATOM 375 N LYS A 566 51.478 -0.802 2.823 1.00 0.00 N ATOM 376 CA LYS A 566 51.787 0.443 2.074 1.00 0.00 C ATOM 377 C LYS A 566 52.577 0.096 0.812 1.00 0.00 C ATOM 378 O LYS A 566 53.546 -0.635 0.862 1.00 0.00 O ATOM 379 CB LYS A 566 52.631 1.347 2.964 1.00 0.00 C ATOM 380 CG LYS A 566 51.723 2.039 3.977 1.00 0.00 C ATOM 381 CD LYS A 566 51.246 3.380 3.416 1.00 0.00 C ATOM 382 CE LYS A 566 50.278 4.027 4.408 1.00 0.00 C ATOM 383 NZ LYS A 566 51.050 4.778 5.439 1.00 0.00 N ATOM 0 H LYS A 566 52.137 -1.024 3.569 1.00 0.00 H new ATOM 0 HA LYS A 566 50.863 0.948 1.793 1.00 0.00 H new ATOM 0 HB2 LYS A 566 53.393 0.762 3.480 1.00 0.00 H new ATOM 0 HB3 LYS A 566 53.154 2.088 2.359 1.00 0.00 H new ATOM 0 HG2 LYS A 566 50.866 1.404 4.204 1.00 0.00 H new ATOM 0 HG3 LYS A 566 52.260 2.196 4.912 1.00 0.00 H new ATOM 0 HD2 LYS A 566 52.098 4.037 3.240 1.00 0.00 H new ATOM 0 HD3 LYS A 566 50.754 3.231 2.455 1.00 0.00 H new ATOM 0 HE2 LYS A 566 49.600 4.701 3.884 1.00 0.00 H new ATOM 0 HE3 LYS A 566 49.663 3.263 4.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 566 50.392 5.218 6.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 566 51.680 4.124 5.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 566 51.618 5.517 4.977 1.00 0.00 H new ATOM 397 N LYS A 567 52.174 0.613 -0.316 1.00 0.00 N ATOM 398 CA LYS A 567 52.905 0.310 -1.576 1.00 0.00 C ATOM 399 C LYS A 567 53.930 1.406 -1.842 1.00 0.00 C ATOM 400 O LYS A 567 53.930 2.436 -1.203 1.00 0.00 O ATOM 401 CB LYS A 567 51.913 0.233 -2.736 1.00 0.00 C ATOM 402 CG LYS A 567 51.256 -1.148 -2.747 1.00 0.00 C ATOM 403 CD LYS A 567 50.644 -1.438 -1.372 1.00 0.00 C ATOM 404 CE LYS A 567 49.616 -2.562 -1.497 1.00 0.00 C ATOM 405 NZ LYS A 567 49.452 -3.236 -0.178 1.00 0.00 N ATOM 0 H LYS A 567 51.370 1.232 -0.418 1.00 0.00 H new ATOM 0 HA LYS A 567 53.418 -0.647 -1.481 1.00 0.00 H new ATOM 0 HB2 LYS A 567 51.154 1.009 -2.633 1.00 0.00 H new ATOM 0 HB3 LYS A 567 52.426 0.412 -3.681 1.00 0.00 H new ATOM 0 HG2 LYS A 567 50.484 -1.188 -3.516 1.00 0.00 H new ATOM 0 HG3 LYS A 567 51.994 -1.911 -2.996 1.00 0.00 H new ATOM 0 HD2 LYS A 567 51.425 -1.722 -0.667 1.00 0.00 H new ATOM 0 HD3 LYS A 567 50.170 -0.540 -0.977 1.00 0.00 H new ATOM 0 HE2 LYS A 567 48.660 -2.159 -1.833 1.00 0.00 H new ATOM 0 HE3 LYS A 567 49.939 -3.283 -2.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 567 49.905 -4.172 -0.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 567 49.897 -2.659 0.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 567 48.439 -3.348 0.031 1.00 0.00 H new ATOM 419 N PHE A 568 54.808 1.183 -2.778 1.00 0.00 N ATOM 420 CA PHE A 568 55.852 2.201 -3.092 1.00 0.00 C ATOM 421 C PHE A 568 56.378 1.956 -4.499 1.00 0.00 C ATOM 422 O PHE A 568 56.647 0.829 -4.872 1.00 0.00 O ATOM 423 CB PHE A 568 57.036 2.042 -2.128 1.00 0.00 C ATOM 424 CG PHE A 568 56.686 2.537 -0.743 1.00 0.00 C ATOM 425 CD1 PHE A 568 56.189 1.643 0.215 1.00 0.00 C ATOM 426 CD2 PHE A 568 56.876 3.883 -0.411 1.00 0.00 C ATOM 427 CE1 PHE A 568 55.881 2.096 1.502 1.00 0.00 C ATOM 428 CE2 PHE A 568 56.567 4.336 0.877 1.00 0.00 C ATOM 429 CZ PHE A 568 56.069 3.443 1.834 1.00 0.00 C ATOM 0 H PHE A 568 54.849 0.335 -3.343 1.00 0.00 H new ATOM 0 HA PHE A 568 55.414 3.195 -3.002 1.00 0.00 H new ATOM 0 HB2 PHE A 568 57.329 0.993 -2.079 1.00 0.00 H new ATOM 0 HB3 PHE A 568 57.894 2.596 -2.508 1.00 0.00 H new ATOM 0 HD1 PHE A 568 56.044 0.604 -0.041 1.00 0.00 H new ATOM 0 HD2 PHE A 568 57.261 4.572 -1.148 1.00 0.00 H new ATOM 0 HE1 PHE A 568 55.498 1.406 2.240 1.00 0.00 H new ATOM 0 HE2 PHE A 568 56.713 5.375 1.133 1.00 0.00 H new ATOM 0 HZ PHE A 568 55.830 3.793 2.827 1.00 0.00 H new ATOM 439 N HIS A 569 56.576 2.989 -5.275 1.00 0.00 N ATOM 440 CA HIS A 569 57.142 2.768 -6.632 1.00 0.00 C ATOM 441 C HIS A 569 58.479 2.053 -6.429 1.00 0.00 C ATOM 442 O HIS A 569 59.244 2.430 -5.564 1.00 0.00 O ATOM 443 CB HIS A 569 57.394 4.107 -7.336 1.00 0.00 C ATOM 444 CG HIS A 569 56.132 4.608 -7.984 1.00 0.00 C ATOM 445 ND1 HIS A 569 55.509 5.770 -7.565 1.00 0.00 N ATOM 446 CD2 HIS A 569 55.376 4.130 -9.026 1.00 0.00 C ATOM 447 CE1 HIS A 569 54.427 5.957 -8.343 1.00 0.00 C ATOM 448 NE2 HIS A 569 54.300 4.985 -9.249 1.00 0.00 N ATOM 0 H HIS A 569 56.374 3.959 -5.032 1.00 0.00 H new ATOM 0 HA HIS A 569 56.453 2.188 -7.246 1.00 0.00 H new ATOM 0 HB2 HIS A 569 57.756 4.841 -6.616 1.00 0.00 H new ATOM 0 HB3 HIS A 569 58.173 3.988 -8.089 1.00 0.00 H new ATOM 0 HD2 HIS A 569 55.584 3.230 -9.586 1.00 0.00 H new ATOM 0 HE1 HIS A 569 53.746 6.790 -8.246 1.00 0.00 H new ATOM 0 HE2 HIS A 569 53.570 4.889 -9.955 1.00 0.00 H new ATOM 456 N PRO A 570 58.760 1.028 -7.188 1.00 0.00 N ATOM 457 CA PRO A 570 60.041 0.280 -7.032 1.00 0.00 C ATOM 458 C PRO A 570 61.266 1.203 -6.978 1.00 0.00 C ATOM 459 O PRO A 570 62.363 0.777 -6.672 1.00 0.00 O ATOM 460 CB PRO A 570 60.046 -0.597 -8.281 1.00 0.00 C ATOM 461 CG PRO A 570 58.608 -0.664 -8.808 1.00 0.00 C ATOM 462 CD PRO A 570 57.838 0.534 -8.245 1.00 0.00 C ATOM 0 HA PRO A 570 60.101 -0.276 -6.097 1.00 0.00 H new ATOM 0 HB2 PRO A 570 60.712 -0.182 -9.038 1.00 0.00 H new ATOM 0 HB3 PRO A 570 60.414 -1.596 -8.046 1.00 0.00 H new ATOM 0 HG2 PRO A 570 58.601 -0.643 -9.898 1.00 0.00 H new ATOM 0 HG3 PRO A 570 58.134 -1.598 -8.504 1.00 0.00 H new ATOM 0 HD2 PRO A 570 57.648 1.291 -9.006 1.00 0.00 H new ATOM 0 HD3 PRO A 570 56.870 0.242 -7.838 1.00 0.00 H new ATOM 470 N GLU A 571 61.075 2.465 -7.256 1.00 0.00 N ATOM 471 CA GLU A 571 62.204 3.438 -7.209 1.00 0.00 C ATOM 472 C GLU A 571 61.978 4.432 -6.061 1.00 0.00 C ATOM 473 O GLU A 571 62.882 5.137 -5.658 1.00 0.00 O ATOM 474 CB GLU A 571 62.272 4.200 -8.535 1.00 0.00 C ATOM 475 CG GLU A 571 60.946 4.929 -8.773 1.00 0.00 C ATOM 476 CD GLU A 571 61.068 5.833 -10.001 1.00 0.00 C ATOM 477 OE1 GLU A 571 60.908 5.331 -11.101 1.00 0.00 O ATOM 478 OE2 GLU A 571 61.317 7.014 -9.820 1.00 0.00 O ATOM 0 H GLU A 571 60.175 2.867 -7.517 1.00 0.00 H new ATOM 0 HA GLU A 571 63.139 2.902 -7.046 1.00 0.00 H new ATOM 0 HB2 GLU A 571 63.094 4.915 -8.514 1.00 0.00 H new ATOM 0 HB3 GLU A 571 62.472 3.509 -9.354 1.00 0.00 H new ATOM 0 HG2 GLU A 571 60.144 4.206 -8.920 1.00 0.00 H new ATOM 0 HG3 GLU A 571 60.684 5.522 -7.897 1.00 0.00 H new ATOM 485 N HIS A 572 60.777 4.494 -5.530 1.00 0.00 N ATOM 486 CA HIS A 572 60.499 5.445 -4.410 1.00 0.00 C ATOM 487 C HIS A 572 60.550 4.695 -3.080 1.00 0.00 C ATOM 488 O HIS A 572 60.598 5.293 -2.023 1.00 0.00 O ATOM 489 CB HIS A 572 59.122 6.092 -4.600 1.00 0.00 C ATOM 490 CG HIS A 572 59.162 6.948 -5.839 1.00 0.00 C ATOM 491 ND1 HIS A 572 58.020 7.345 -6.528 1.00 0.00 N ATOM 492 CD2 HIS A 572 60.220 7.486 -6.534 1.00 0.00 C ATOM 493 CE1 HIS A 572 58.423 8.081 -7.581 1.00 0.00 C ATOM 494 NE2 HIS A 572 59.749 8.196 -7.629 1.00 0.00 N ATOM 0 H HIS A 572 59.981 3.928 -5.825 1.00 0.00 H new ATOM 0 HA HIS A 572 61.255 6.230 -4.407 1.00 0.00 H new ATOM 0 HB2 HIS A 572 58.353 5.325 -4.694 1.00 0.00 H new ATOM 0 HB3 HIS A 572 58.864 6.696 -3.730 1.00 0.00 H new ATOM 0 HD2 HIS A 572 61.260 7.373 -6.268 1.00 0.00 H new ATOM 0 HE1 HIS A 572 57.751 8.525 -8.301 1.00 0.00 H new ATOM 0 HE2 HIS A 572 60.301 8.699 -8.323 1.00 0.00 H new ATOM 502 N PHE A 573 60.571 3.391 -3.128 1.00 0.00 N ATOM 503 CA PHE A 573 60.654 2.598 -1.875 1.00 0.00 C ATOM 504 C PHE A 573 62.084 2.707 -1.360 1.00 0.00 C ATOM 505 O PHE A 573 62.944 1.926 -1.717 1.00 0.00 O ATOM 506 CB PHE A 573 60.319 1.135 -2.169 1.00 0.00 C ATOM 507 CG PHE A 573 60.363 0.329 -0.889 1.00 0.00 C ATOM 508 CD1 PHE A 573 61.208 -0.784 -0.792 1.00 0.00 C ATOM 509 CD2 PHE A 573 59.559 0.692 0.199 1.00 0.00 C ATOM 510 CE1 PHE A 573 61.248 -1.533 0.390 1.00 0.00 C ATOM 511 CE2 PHE A 573 59.599 -0.057 1.381 1.00 0.00 C ATOM 512 CZ PHE A 573 60.443 -1.169 1.476 1.00 0.00 C ATOM 0 H PHE A 573 60.534 2.841 -3.986 1.00 0.00 H new ATOM 0 HA PHE A 573 59.948 2.971 -1.133 1.00 0.00 H new ATOM 0 HB2 PHE A 573 59.329 1.063 -2.620 1.00 0.00 H new ATOM 0 HB3 PHE A 573 61.028 0.728 -2.890 1.00 0.00 H new ATOM 0 HD1 PHE A 573 61.829 -1.065 -1.630 1.00 0.00 H new ATOM 0 HD2 PHE A 573 58.908 1.550 0.126 1.00 0.00 H new ATOM 0 HE1 PHE A 573 61.900 -2.391 0.464 1.00 0.00 H new ATOM 0 HE2 PHE A 573 58.979 0.223 2.219 1.00 0.00 H new ATOM 0 HZ PHE A 573 60.473 -1.747 2.388 1.00 0.00 H new ATOM 522 N VAL A 574 62.349 3.691 -0.552 1.00 0.00 N ATOM 523 CA VAL A 574 63.733 3.882 -0.035 1.00 0.00 C ATOM 524 C VAL A 574 63.802 3.532 1.453 1.00 0.00 C ATOM 525 O VAL A 574 62.800 3.285 2.097 1.00 0.00 O ATOM 526 CB VAL A 574 64.158 5.341 -0.238 1.00 0.00 C ATOM 527 CG1 VAL A 574 64.104 5.691 -1.729 1.00 0.00 C ATOM 528 CG2 VAL A 574 63.212 6.266 0.537 1.00 0.00 C ATOM 0 H VAL A 574 61.666 4.375 -0.225 1.00 0.00 H new ATOM 0 HA VAL A 574 64.406 3.222 -0.582 1.00 0.00 H new ATOM 0 HB VAL A 574 65.176 5.472 0.129 1.00 0.00 H new ATOM 0 HG11 VAL A 574 64.407 6.729 -1.870 1.00 0.00 H new ATOM 0 HG12 VAL A 574 64.780 5.038 -2.281 1.00 0.00 H new ATOM 0 HG13 VAL A 574 63.087 5.556 -2.098 1.00 0.00 H new ATOM 0 HG21 VAL A 574 63.516 7.302 0.391 1.00 0.00 H new ATOM 0 HG22 VAL A 574 62.193 6.132 0.173 1.00 0.00 H new ATOM 0 HG23 VAL A 574 63.253 6.022 1.598 1.00 0.00 H new ATOM 538 N CYS A 575 64.991 3.510 1.995 1.00 0.00 N ATOM 539 CA CYS A 575 65.168 3.178 3.437 1.00 0.00 C ATOM 540 C CYS A 575 64.792 4.385 4.295 1.00 0.00 C ATOM 541 O CYS A 575 65.223 5.492 4.041 1.00 0.00 O ATOM 542 CB CYS A 575 66.635 2.825 3.685 1.00 0.00 C ATOM 543 SG CYS A 575 66.958 2.746 5.466 1.00 0.00 S ATOM 0 H CYS A 575 65.856 3.710 1.493 1.00 0.00 H new ATOM 0 HA CYS A 575 64.528 2.336 3.700 1.00 0.00 H new ATOM 0 HB2 CYS A 575 66.871 1.867 3.221 1.00 0.00 H new ATOM 0 HB3 CYS A 575 67.281 3.571 3.222 1.00 0.00 H new ATOM 548 N ALA A 576 64.000 4.179 5.315 1.00 0.00 N ATOM 549 CA ALA A 576 63.606 5.317 6.200 1.00 0.00 C ATOM 550 C ALA A 576 64.805 5.735 7.067 1.00 0.00 C ATOM 551 O ALA A 576 64.661 6.076 8.226 1.00 0.00 O ATOM 552 CB ALA A 576 62.442 4.887 7.097 1.00 0.00 C ATOM 0 H ALA A 576 63.609 3.273 5.574 1.00 0.00 H new ATOM 0 HA ALA A 576 63.295 6.163 5.588 1.00 0.00 H new ATOM 0 HB1 ALA A 576 62.154 5.717 7.743 1.00 0.00 H new ATOM 0 HB2 ALA A 576 61.593 4.598 6.478 1.00 0.00 H new ATOM 0 HB3 ALA A 576 62.749 4.040 7.710 1.00 0.00 H new ATOM 558 N PHE A 577 65.985 5.717 6.502 1.00 0.00 N ATOM 559 CA PHE A 577 67.207 6.116 7.260 1.00 0.00 C ATOM 560 C PHE A 577 68.146 6.853 6.310 1.00 0.00 C ATOM 561 O PHE A 577 68.439 8.020 6.486 1.00 0.00 O ATOM 562 CB PHE A 577 67.912 4.868 7.799 1.00 0.00 C ATOM 563 CG PHE A 577 68.693 5.219 9.045 1.00 0.00 C ATOM 564 CD1 PHE A 577 68.018 5.539 10.230 1.00 0.00 C ATOM 565 CD2 PHE A 577 70.093 5.225 9.014 1.00 0.00 C ATOM 566 CE1 PHE A 577 68.743 5.863 11.383 1.00 0.00 C ATOM 567 CE2 PHE A 577 70.818 5.550 10.167 1.00 0.00 C ATOM 568 CZ PHE A 577 70.143 5.869 11.351 1.00 0.00 C ATOM 0 H PHE A 577 66.155 5.439 5.535 1.00 0.00 H new ATOM 0 HA PHE A 577 66.931 6.759 8.096 1.00 0.00 H new ATOM 0 HB2 PHE A 577 67.179 4.094 8.024 1.00 0.00 H new ATOM 0 HB3 PHE A 577 68.582 4.462 7.041 1.00 0.00 H new ATOM 0 HD1 PHE A 577 66.938 5.536 10.254 1.00 0.00 H new ATOM 0 HD2 PHE A 577 70.614 4.979 8.100 1.00 0.00 H new ATOM 0 HE1 PHE A 577 68.223 6.108 12.297 1.00 0.00 H new ATOM 0 HE2 PHE A 577 71.898 5.555 10.143 1.00 0.00 H new ATOM 0 HZ PHE A 577 70.702 6.120 12.240 1.00 0.00 H new ATOM 578 N CYS A 578 68.607 6.174 5.295 1.00 0.00 N ATOM 579 CA CYS A 578 69.520 6.817 4.307 1.00 0.00 C ATOM 580 C CYS A 578 68.689 7.326 3.128 1.00 0.00 C ATOM 581 O CYS A 578 69.111 8.192 2.385 1.00 0.00 O ATOM 582 CB CYS A 578 70.547 5.794 3.816 1.00 0.00 C ATOM 583 SG CYS A 578 69.722 4.218 3.485 1.00 0.00 S ATOM 0 H CYS A 578 68.389 5.196 5.107 1.00 0.00 H new ATOM 0 HA CYS A 578 70.046 7.650 4.773 1.00 0.00 H new ATOM 0 HB2 CYS A 578 71.034 6.158 2.912 1.00 0.00 H new ATOM 0 HB3 CYS A 578 71.327 5.658 4.565 1.00 0.00 H new ATOM 588 N LEU A 579 67.503 6.794 2.964 1.00 0.00 N ATOM 589 CA LEU A 579 66.608 7.230 1.848 1.00 0.00 C ATOM 590 C LEU A 579 67.333 7.110 0.503 1.00 0.00 C ATOM 591 O LEU A 579 66.937 7.711 -0.478 1.00 0.00 O ATOM 592 CB LEU A 579 66.176 8.685 2.072 1.00 0.00 C ATOM 593 CG LEU A 579 65.427 8.802 3.405 1.00 0.00 C ATOM 594 CD1 LEU A 579 66.351 9.410 4.464 1.00 0.00 C ATOM 595 CD2 LEU A 579 64.199 9.700 3.226 1.00 0.00 C ATOM 0 H LEU A 579 67.112 6.067 3.564 1.00 0.00 H new ATOM 0 HA LEU A 579 65.729 6.586 1.832 1.00 0.00 H new ATOM 0 HB2 LEU A 579 67.049 9.337 2.076 1.00 0.00 H new ATOM 0 HB3 LEU A 579 65.536 9.015 1.254 1.00 0.00 H new ATOM 0 HG LEU A 579 65.110 7.810 3.727 1.00 0.00 H new ATOM 0 HD11 LEU A 579 65.816 9.492 5.410 1.00 0.00 H new ATOM 0 HD12 LEU A 579 67.224 8.771 4.595 1.00 0.00 H new ATOM 0 HD13 LEU A 579 66.672 10.401 4.142 1.00 0.00 H new ATOM 0 HD21 LEU A 579 63.667 9.783 4.174 1.00 0.00 H new ATOM 0 HD22 LEU A 579 64.517 10.691 2.901 1.00 0.00 H new ATOM 0 HD23 LEU A 579 63.538 9.267 2.476 1.00 0.00 H new ATOM 607 N LYS A 580 68.384 6.335 0.443 1.00 0.00 N ATOM 608 CA LYS A 580 69.122 6.176 -0.843 1.00 0.00 C ATOM 609 C LYS A 580 68.269 5.343 -1.806 1.00 0.00 C ATOM 610 O LYS A 580 68.002 5.742 -2.923 1.00 0.00 O ATOM 611 CB LYS A 580 70.460 5.470 -0.584 1.00 0.00 C ATOM 612 CG LYS A 580 70.214 4.078 0.015 1.00 0.00 C ATOM 613 CD LYS A 580 71.488 3.574 0.697 1.00 0.00 C ATOM 614 CE LYS A 580 71.922 2.252 0.060 1.00 0.00 C ATOM 615 NZ LYS A 580 72.423 2.509 -1.320 1.00 0.00 N ATOM 0 H LYS A 580 68.762 5.806 1.229 1.00 0.00 H new ATOM 0 HA LYS A 580 69.318 7.154 -1.282 1.00 0.00 H new ATOM 0 HB2 LYS A 580 71.019 5.380 -1.515 1.00 0.00 H new ATOM 0 HB3 LYS A 580 71.068 6.065 0.097 1.00 0.00 H new ATOM 0 HG2 LYS A 580 69.398 4.121 0.736 1.00 0.00 H new ATOM 0 HG3 LYS A 580 69.911 3.383 -0.768 1.00 0.00 H new ATOM 0 HD2 LYS A 580 72.282 4.314 0.600 1.00 0.00 H new ATOM 0 HD3 LYS A 580 71.311 3.435 1.763 1.00 0.00 H new ATOM 0 HE2 LYS A 580 72.702 1.785 0.661 1.00 0.00 H new ATOM 0 HE3 LYS A 580 71.083 1.557 0.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 580 72.888 1.654 -1.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 580 71.625 2.760 -1.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 580 73.106 3.293 -1.301 1.00 0.00 H new ATOM 629 N GLN A 581 67.835 4.193 -1.366 1.00 0.00 N ATOM 630 CA GLN A 581 66.992 3.308 -2.212 1.00 0.00 C ATOM 631 C GLN A 581 66.674 2.060 -1.399 1.00 0.00 C ATOM 632 O GLN A 581 67.343 1.766 -0.427 1.00 0.00 O ATOM 633 CB GLN A 581 67.745 2.910 -3.488 1.00 0.00 C ATOM 634 CG GLN A 581 66.834 3.098 -4.705 1.00 0.00 C ATOM 635 CD GLN A 581 66.514 1.740 -5.327 1.00 0.00 C ATOM 636 OE1 GLN A 581 67.248 1.249 -6.162 1.00 0.00 O ATOM 637 NE2 GLN A 581 65.440 1.108 -4.951 1.00 0.00 N ATOM 0 H GLN A 581 68.035 3.825 -0.436 1.00 0.00 H new ATOM 0 HA GLN A 581 66.079 3.828 -2.504 1.00 0.00 H new ATOM 0 HB2 GLN A 581 68.643 3.518 -3.596 1.00 0.00 H new ATOM 0 HB3 GLN A 581 68.069 1.872 -3.421 1.00 0.00 H new ATOM 0 HG2 GLN A 581 65.912 3.598 -4.407 1.00 0.00 H new ATOM 0 HG3 GLN A 581 67.321 3.739 -5.440 1.00 0.00 H new ATOM 0 HE21 GLN A 581 64.824 1.521 -4.250 1.00 0.00 H new ATOM 0 HE22 GLN A 581 65.214 0.200 -5.357 1.00 0.00 H new ATOM 646 N LEU A 582 65.662 1.327 -1.765 1.00 0.00 N ATOM 647 CA LEU A 582 65.329 0.113 -0.976 1.00 0.00 C ATOM 648 C LEU A 582 64.516 -0.871 -1.818 1.00 0.00 C ATOM 649 O LEU A 582 63.884 -0.506 -2.791 1.00 0.00 O ATOM 650 CB LEU A 582 64.528 0.530 0.262 1.00 0.00 C ATOM 651 CG LEU A 582 64.757 -0.475 1.386 1.00 0.00 C ATOM 652 CD1 LEU A 582 66.191 -0.354 1.904 1.00 0.00 C ATOM 653 CD2 LEU A 582 63.774 -0.193 2.524 1.00 0.00 C ATOM 0 H LEU A 582 65.058 1.513 -2.566 1.00 0.00 H new ATOM 0 HA LEU A 582 66.251 -0.382 -0.672 1.00 0.00 H new ATOM 0 HB2 LEU A 582 64.831 1.526 0.585 1.00 0.00 H new ATOM 0 HB3 LEU A 582 63.467 0.583 0.019 1.00 0.00 H new ATOM 0 HG LEU A 582 64.598 -1.485 1.008 1.00 0.00 H new ATOM 0 HD11 LEU A 582 66.350 -1.074 2.707 1.00 0.00 H new ATOM 0 HD12 LEU A 582 66.889 -0.556 1.092 1.00 0.00 H new ATOM 0 HD13 LEU A 582 66.357 0.654 2.283 1.00 0.00 H new ATOM 0 HD21 LEU A 582 63.935 -0.910 3.330 1.00 0.00 H new ATOM 0 HD22 LEU A 582 63.933 0.818 2.900 1.00 0.00 H new ATOM 0 HD23 LEU A 582 62.753 -0.286 2.154 1.00 0.00 H new ATOM 665 N ASN A 583 64.538 -2.121 -1.438 1.00 0.00 N ATOM 666 CA ASN A 583 63.780 -3.161 -2.189 1.00 0.00 C ATOM 667 C ASN A 583 63.260 -4.206 -1.197 1.00 0.00 C ATOM 668 O ASN A 583 64.018 -4.792 -0.448 1.00 0.00 O ATOM 669 CB ASN A 583 64.709 -3.827 -3.211 1.00 0.00 C ATOM 670 CG ASN A 583 64.098 -5.148 -3.687 1.00 0.00 C ATOM 671 OD1 ASN A 583 64.688 -6.197 -3.522 1.00 0.00 O ATOM 672 ND2 ASN A 583 62.933 -5.141 -4.273 1.00 0.00 N ATOM 0 H ASN A 583 65.055 -2.468 -0.630 1.00 0.00 H new ATOM 0 HA ASN A 583 62.940 -2.707 -2.715 1.00 0.00 H new ATOM 0 HB2 ASN A 583 64.866 -3.162 -4.060 1.00 0.00 H new ATOM 0 HB3 ASN A 583 65.686 -4.009 -2.763 1.00 0.00 H new ATOM 0 HD21 ASN A 583 62.518 -6.016 -4.593 1.00 0.00 H new ATOM 0 HD22 ASN A 583 62.437 -4.260 -4.412 1.00 0.00 H new ATOM 679 N LYS A 584 61.973 -4.437 -1.190 1.00 0.00 N ATOM 680 CA LYS A 584 61.380 -5.439 -0.252 1.00 0.00 C ATOM 681 C LYS A 584 62.155 -6.760 -0.339 1.00 0.00 C ATOM 682 O LYS A 584 62.264 -7.493 0.625 1.00 0.00 O ATOM 683 CB LYS A 584 59.913 -5.670 -0.644 1.00 0.00 C ATOM 684 CG LYS A 584 59.364 -6.937 0.027 1.00 0.00 C ATOM 685 CD LYS A 584 59.322 -6.749 1.547 1.00 0.00 C ATOM 686 CE LYS A 584 58.466 -5.526 1.896 1.00 0.00 C ATOM 687 NZ LYS A 584 57.703 -5.791 3.149 1.00 0.00 N ATOM 0 H LYS A 584 61.301 -3.971 -1.799 1.00 0.00 H new ATOM 0 HA LYS A 584 61.438 -5.067 0.771 1.00 0.00 H new ATOM 0 HB2 LYS A 584 59.313 -4.808 -0.351 1.00 0.00 H new ATOM 0 HB3 LYS A 584 59.831 -5.762 -1.727 1.00 0.00 H new ATOM 0 HG2 LYS A 584 58.364 -7.153 -0.349 1.00 0.00 H new ATOM 0 HG3 LYS A 584 59.991 -7.792 -0.225 1.00 0.00 H new ATOM 0 HD2 LYS A 584 58.910 -7.640 2.021 1.00 0.00 H new ATOM 0 HD3 LYS A 584 60.332 -6.620 1.935 1.00 0.00 H new ATOM 0 HE2 LYS A 584 59.101 -4.649 2.023 1.00 0.00 H new ATOM 0 HE3 LYS A 584 57.779 -5.306 1.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 584 56.722 -5.466 3.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 584 57.708 -6.811 3.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 584 58.146 -5.281 3.940 1.00 0.00 H new ATOM 701 N GLY A 585 62.682 -7.066 -1.493 1.00 0.00 N ATOM 702 CA GLY A 585 63.440 -8.338 -1.670 1.00 0.00 C ATOM 703 C GLY A 585 64.624 -8.415 -0.701 1.00 0.00 C ATOM 704 O GLY A 585 65.065 -9.492 -0.350 1.00 0.00 O ATOM 0 H GLY A 585 62.619 -6.484 -2.328 1.00 0.00 H new ATOM 0 HA2 GLY A 585 62.776 -9.186 -1.505 1.00 0.00 H new ATOM 0 HA3 GLY A 585 63.801 -8.410 -2.696 1.00 0.00 H new ATOM 708 N THR A 586 65.155 -7.296 -0.273 1.00 0.00 N ATOM 709 CA THR A 586 66.323 -7.346 0.660 1.00 0.00 C ATOM 710 C THR A 586 66.258 -6.203 1.678 1.00 0.00 C ATOM 711 O THR A 586 67.277 -5.711 2.126 1.00 0.00 O ATOM 712 CB THR A 586 67.622 -7.230 -0.147 1.00 0.00 C ATOM 713 OG1 THR A 586 67.647 -5.978 -0.820 1.00 0.00 O ATOM 714 CG2 THR A 586 67.696 -8.363 -1.173 1.00 0.00 C ATOM 0 H THR A 586 64.835 -6.361 -0.525 1.00 0.00 H new ATOM 0 HA THR A 586 66.297 -8.294 1.198 1.00 0.00 H new ATOM 0 HB THR A 586 68.475 -7.301 0.528 1.00 0.00 H new ATOM 0 HG1 THR A 586 68.477 -5.900 -1.335 1.00 0.00 H new ATOM 0 HG21 THR A 586 68.620 -8.277 -1.744 1.00 0.00 H new ATOM 0 HG22 THR A 586 67.676 -9.323 -0.657 1.00 0.00 H new ATOM 0 HG23 THR A 586 66.844 -8.297 -1.850 1.00 0.00 H new ATOM 722 N PHE A 587 65.082 -5.781 2.064 1.00 0.00 N ATOM 723 CA PHE A 587 64.991 -4.680 3.066 1.00 0.00 C ATOM 724 C PHE A 587 64.634 -5.259 4.434 1.00 0.00 C ATOM 725 O PHE A 587 64.400 -6.441 4.589 1.00 0.00 O ATOM 726 CB PHE A 587 63.917 -3.654 2.649 1.00 0.00 C ATOM 727 CG PHE A 587 62.634 -3.879 3.426 1.00 0.00 C ATOM 728 CD1 PHE A 587 61.986 -5.120 3.374 1.00 0.00 C ATOM 729 CD2 PHE A 587 62.098 -2.845 4.205 1.00 0.00 C ATOM 730 CE1 PHE A 587 60.807 -5.326 4.100 1.00 0.00 C ATOM 731 CE2 PHE A 587 60.918 -3.052 4.929 1.00 0.00 C ATOM 732 CZ PHE A 587 60.272 -4.292 4.876 1.00 0.00 C ATOM 0 H PHE A 587 64.190 -6.147 1.732 1.00 0.00 H new ATOM 0 HA PHE A 587 65.957 -4.177 3.118 1.00 0.00 H new ATOM 0 HB2 PHE A 587 64.284 -2.643 2.827 1.00 0.00 H new ATOM 0 HB3 PHE A 587 63.721 -3.739 1.580 1.00 0.00 H new ATOM 0 HD1 PHE A 587 62.396 -5.918 2.773 1.00 0.00 H new ATOM 0 HD2 PHE A 587 62.596 -1.887 4.247 1.00 0.00 H new ATOM 0 HE1 PHE A 587 60.310 -6.284 4.061 1.00 0.00 H new ATOM 0 HE2 PHE A 587 60.506 -2.254 5.529 1.00 0.00 H new ATOM 0 HZ PHE A 587 59.361 -4.451 5.434 1.00 0.00 H new ATOM 742 N LYS A 588 64.570 -4.406 5.410 1.00 0.00 N ATOM 743 CA LYS A 588 64.203 -4.823 6.787 1.00 0.00 C ATOM 744 C LYS A 588 63.359 -3.698 7.384 1.00 0.00 C ATOM 745 O LYS A 588 63.319 -2.609 6.850 1.00 0.00 O ATOM 746 CB LYS A 588 65.472 -5.020 7.624 1.00 0.00 C ATOM 747 CG LYS A 588 66.092 -6.393 7.336 1.00 0.00 C ATOM 748 CD LYS A 588 65.238 -7.494 7.978 1.00 0.00 C ATOM 749 CE LYS A 588 64.603 -8.357 6.886 1.00 0.00 C ATOM 750 NZ LYS A 588 63.967 -9.553 7.506 1.00 0.00 N ATOM 0 H LYS A 588 64.762 -3.409 5.309 1.00 0.00 H new ATOM 0 HA LYS A 588 63.650 -5.763 6.777 1.00 0.00 H new ATOM 0 HB2 LYS A 588 66.192 -4.234 7.396 1.00 0.00 H new ATOM 0 HB3 LYS A 588 65.233 -4.936 8.684 1.00 0.00 H new ATOM 0 HG2 LYS A 588 66.159 -6.553 6.260 1.00 0.00 H new ATOM 0 HG3 LYS A 588 67.108 -6.433 7.728 1.00 0.00 H new ATOM 0 HD2 LYS A 588 65.855 -8.112 8.631 1.00 0.00 H new ATOM 0 HD3 LYS A 588 64.462 -7.049 8.601 1.00 0.00 H new ATOM 0 HE2 LYS A 588 63.859 -7.779 6.338 1.00 0.00 H new ATOM 0 HE3 LYS A 588 65.360 -8.667 6.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 588 63.535 -10.140 6.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 588 64.688 -10.107 8.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 588 63.233 -9.248 8.177 1.00 0.00 H new ATOM 764 N GLU A 589 62.680 -3.934 8.470 1.00 0.00 N ATOM 765 CA GLU A 589 61.847 -2.848 9.056 1.00 0.00 C ATOM 766 C GLU A 589 62.026 -2.801 10.572 1.00 0.00 C ATOM 767 O GLU A 589 62.265 -3.802 11.220 1.00 0.00 O ATOM 768 CB GLU A 589 60.371 -3.083 8.709 1.00 0.00 C ATOM 769 CG GLU A 589 59.726 -4.009 9.745 1.00 0.00 C ATOM 770 CD GLU A 589 58.559 -4.765 9.104 1.00 0.00 C ATOM 771 OE1 GLU A 589 58.811 -5.561 8.213 1.00 0.00 O ATOM 772 OE2 GLU A 589 57.434 -4.538 9.515 1.00 0.00 O ATOM 0 H GLU A 589 62.665 -4.821 8.973 1.00 0.00 H new ATOM 0 HA GLU A 589 62.167 -1.893 8.638 1.00 0.00 H new ATOM 0 HB2 GLU A 589 59.840 -2.131 8.681 1.00 0.00 H new ATOM 0 HB3 GLU A 589 60.289 -3.524 7.715 1.00 0.00 H new ATOM 0 HG2 GLU A 589 60.464 -4.715 10.126 1.00 0.00 H new ATOM 0 HG3 GLU A 589 59.372 -3.428 10.596 1.00 0.00 H new ATOM 779 N GLN A 590 61.903 -1.634 11.129 1.00 0.00 N ATOM 780 CA GLN A 590 62.044 -1.467 12.597 1.00 0.00 C ATOM 781 C GLN A 590 61.252 -0.230 13.008 1.00 0.00 C ATOM 782 O GLN A 590 61.137 0.711 12.254 1.00 0.00 O ATOM 783 CB GLN A 590 63.520 -1.269 12.951 1.00 0.00 C ATOM 784 CG GLN A 590 63.713 -1.396 14.464 1.00 0.00 C ATOM 785 CD GLN A 590 63.606 -2.865 14.878 1.00 0.00 C ATOM 786 OE1 GLN A 590 63.034 -3.180 15.902 1.00 0.00 O ATOM 787 NE2 GLN A 590 64.136 -3.782 14.118 1.00 0.00 N ATOM 0 H GLN A 590 61.707 -0.773 10.619 1.00 0.00 H new ATOM 0 HA GLN A 590 61.671 -2.349 13.117 1.00 0.00 H new ATOM 0 HB2 GLN A 590 64.130 -2.010 12.434 1.00 0.00 H new ATOM 0 HB3 GLN A 590 63.856 -0.288 12.614 1.00 0.00 H new ATOM 0 HG2 GLN A 590 64.686 -0.998 14.750 1.00 0.00 H new ATOM 0 HG3 GLN A 590 62.961 -0.805 14.987 1.00 0.00 H new ATOM 0 HE21 GLN A 590 64.616 -3.517 13.258 1.00 0.00 H new ATOM 0 HE22 GLN A 590 64.070 -4.765 14.383 1.00 0.00 H new ATOM 796 N ASN A 591 60.704 -0.221 14.189 1.00 0.00 N ATOM 797 CA ASN A 591 59.922 0.966 14.643 1.00 0.00 C ATOM 798 C ASN A 591 58.814 1.302 13.631 1.00 0.00 C ATOM 799 O ASN A 591 58.299 2.403 13.620 1.00 0.00 O ATOM 800 CB ASN A 591 60.864 2.167 14.789 1.00 0.00 C ATOM 801 CG ASN A 591 61.682 2.024 16.073 1.00 0.00 C ATOM 802 OD1 ASN A 591 61.137 2.017 17.159 1.00 0.00 O ATOM 803 ND2 ASN A 591 62.978 1.911 15.995 1.00 0.00 N ATOM 0 H ASN A 591 60.763 -0.985 14.863 1.00 0.00 H new ATOM 0 HA ASN A 591 59.459 0.738 15.603 1.00 0.00 H new ATOM 0 HB2 ASN A 591 61.529 2.228 13.927 1.00 0.00 H new ATOM 0 HB3 ASN A 591 60.289 3.092 14.813 1.00 0.00 H new ATOM 0 HD21 ASN A 591 63.534 1.817 16.845 1.00 0.00 H new ATOM 0 HD22 ASN A 591 63.437 1.917 15.084 1.00 0.00 H new ATOM 810 N ASP A 592 58.440 0.362 12.791 1.00 0.00 N ATOM 811 CA ASP A 592 57.353 0.617 11.787 1.00 0.00 C ATOM 812 C ASP A 592 57.889 1.422 10.594 1.00 0.00 C ATOM 813 O ASP A 592 57.183 2.224 10.012 1.00 0.00 O ATOM 814 CB ASP A 592 56.206 1.392 12.449 1.00 0.00 C ATOM 815 CG ASP A 592 54.877 1.020 11.785 1.00 0.00 C ATOM 816 OD1 ASP A 592 54.526 1.659 10.806 1.00 0.00 O ATOM 817 OD2 ASP A 592 54.232 0.104 12.268 1.00 0.00 O ATOM 0 H ASP A 592 58.843 -0.575 12.758 1.00 0.00 H new ATOM 0 HA ASP A 592 56.989 -0.345 11.425 1.00 0.00 H new ATOM 0 HB2 ASP A 592 56.167 1.163 13.514 1.00 0.00 H new ATOM 0 HB3 ASP A 592 56.380 2.464 12.359 1.00 0.00 H new ATOM 822 N LYS A 593 59.120 1.207 10.212 1.00 0.00 N ATOM 823 CA LYS A 593 59.681 1.953 9.044 1.00 0.00 C ATOM 824 C LYS A 593 60.702 1.061 8.327 1.00 0.00 C ATOM 825 O LYS A 593 61.315 0.207 8.937 1.00 0.00 O ATOM 826 CB LYS A 593 60.352 3.261 9.502 1.00 0.00 C ATOM 827 CG LYS A 593 60.544 3.271 11.023 1.00 0.00 C ATOM 828 CD LYS A 593 60.916 4.684 11.487 1.00 0.00 C ATOM 829 CE LYS A 593 59.654 5.432 11.924 1.00 0.00 C ATOM 830 NZ LYS A 593 59.206 4.918 13.250 1.00 0.00 N ATOM 0 H LYS A 593 59.761 0.549 10.656 1.00 0.00 H new ATOM 0 HA LYS A 593 58.871 2.211 8.362 1.00 0.00 H new ATOM 0 HB2 LYS A 593 61.317 3.372 9.008 1.00 0.00 H new ATOM 0 HB3 LYS A 593 59.741 4.113 9.202 1.00 0.00 H new ATOM 0 HG2 LYS A 593 59.629 2.945 11.517 1.00 0.00 H new ATOM 0 HG3 LYS A 593 61.327 2.567 11.305 1.00 0.00 H new ATOM 0 HD2 LYS A 593 61.624 4.631 12.314 1.00 0.00 H new ATOM 0 HD3 LYS A 593 61.409 5.224 10.679 1.00 0.00 H new ATOM 0 HE2 LYS A 593 59.855 6.502 11.986 1.00 0.00 H new ATOM 0 HE3 LYS A 593 58.865 5.298 11.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 593 58.287 5.339 13.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 593 59.113 3.883 13.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 593 59.906 5.173 13.976 1.00 0.00 H new ATOM 844 N PRO A 594 60.871 1.245 7.037 1.00 0.00 N ATOM 845 CA PRO A 594 61.823 0.416 6.241 1.00 0.00 C ATOM 846 C PRO A 594 63.282 0.690 6.579 1.00 0.00 C ATOM 847 O PRO A 594 63.643 1.755 7.037 1.00 0.00 O ATOM 848 CB PRO A 594 61.525 0.866 4.817 1.00 0.00 C ATOM 849 CG PRO A 594 60.826 2.219 4.906 1.00 0.00 C ATOM 850 CD PRO A 594 60.136 2.290 6.272 1.00 0.00 C ATOM 0 HA PRO A 594 61.694 -0.650 6.427 1.00 0.00 H new ATOM 0 HB2 PRO A 594 62.445 0.946 4.239 1.00 0.00 H new ATOM 0 HB3 PRO A 594 60.892 0.139 4.309 1.00 0.00 H new ATOM 0 HG2 PRO A 594 61.546 3.030 4.797 1.00 0.00 H new ATOM 0 HG3 PRO A 594 60.098 2.328 4.102 1.00 0.00 H new ATOM 0 HD2 PRO A 594 60.232 3.275 6.728 1.00 0.00 H new ATOM 0 HD3 PRO A 594 59.070 2.073 6.204 1.00 0.00 H new ATOM 858 N TYR A 595 64.112 -0.277 6.333 1.00 0.00 N ATOM 859 CA TYR A 595 65.566 -0.139 6.606 1.00 0.00 C ATOM 860 C TYR A 595 66.295 -1.198 5.785 1.00 0.00 C ATOM 861 O TYR A 595 66.022 -2.374 5.915 1.00 0.00 O ATOM 862 CB TYR A 595 65.842 -0.390 8.094 1.00 0.00 C ATOM 863 CG TYR A 595 65.312 0.756 8.924 1.00 0.00 C ATOM 864 CD1 TYR A 595 64.324 0.524 9.889 1.00 0.00 C ATOM 865 CD2 TYR A 595 65.810 2.049 8.732 1.00 0.00 C ATOM 866 CE1 TYR A 595 63.835 1.585 10.658 1.00 0.00 C ATOM 867 CE2 TYR A 595 65.319 3.109 9.502 1.00 0.00 C ATOM 868 CZ TYR A 595 64.332 2.878 10.464 1.00 0.00 C ATOM 869 OH TYR A 595 63.849 3.924 11.222 1.00 0.00 O ATOM 0 H TYR A 595 63.838 -1.180 5.945 1.00 0.00 H new ATOM 0 HA TYR A 595 65.904 0.864 6.344 1.00 0.00 H new ATOM 0 HB2 TYR A 595 65.372 -1.323 8.406 1.00 0.00 H new ATOM 0 HB3 TYR A 595 66.914 -0.503 8.259 1.00 0.00 H new ATOM 0 HD1 TYR A 595 63.940 -0.474 10.039 1.00 0.00 H new ATOM 0 HD2 TYR A 595 66.573 2.229 7.990 1.00 0.00 H new ATOM 0 HE1 TYR A 595 63.073 1.406 11.402 1.00 0.00 H new ATOM 0 HE2 TYR A 595 65.703 4.107 9.353 1.00 0.00 H new ATOM 0 HH TYR A 595 64.301 4.753 10.961 1.00 0.00 H new ATOM 879 N CYS A 596 67.215 -0.808 4.944 1.00 0.00 N ATOM 880 CA CYS A 596 67.941 -1.827 4.137 1.00 0.00 C ATOM 881 C CYS A 596 68.468 -2.899 5.082 1.00 0.00 C ATOM 882 O CYS A 596 68.882 -2.609 6.185 1.00 0.00 O ATOM 883 CB CYS A 596 69.117 -1.183 3.397 1.00 0.00 C ATOM 884 SG CYS A 596 68.800 0.579 3.136 1.00 0.00 S ATOM 0 H CYS A 596 67.492 0.160 4.783 1.00 0.00 H new ATOM 0 HA CYS A 596 67.263 -2.261 3.402 1.00 0.00 H new ATOM 0 HB2 CYS A 596 70.034 -1.314 3.972 1.00 0.00 H new ATOM 0 HB3 CYS A 596 69.268 -1.679 2.438 1.00 0.00 H new ATOM 889 N GLN A 597 68.456 -4.132 4.665 1.00 0.00 N ATOM 890 CA GLN A 597 68.963 -5.219 5.546 1.00 0.00 C ATOM 891 C GLN A 597 70.320 -4.789 6.105 1.00 0.00 C ATOM 892 O GLN A 597 70.626 -5.011 7.258 1.00 0.00 O ATOM 893 CB GLN A 597 69.084 -6.501 4.715 1.00 0.00 C ATOM 894 CG GLN A 597 70.380 -7.259 5.041 1.00 0.00 C ATOM 895 CD GLN A 597 70.381 -7.711 6.507 1.00 0.00 C ATOM 896 OE1 GLN A 597 71.404 -8.104 7.030 1.00 0.00 O ATOM 897 NE2 GLN A 597 69.274 -7.672 7.196 1.00 0.00 N ATOM 0 H GLN A 597 68.117 -4.435 3.752 1.00 0.00 H new ATOM 0 HA GLN A 597 68.285 -5.409 6.379 1.00 0.00 H new ATOM 0 HB2 GLN A 597 68.226 -7.144 4.909 1.00 0.00 H new ATOM 0 HB3 GLN A 597 69.063 -6.252 3.654 1.00 0.00 H new ATOM 0 HG2 GLN A 597 70.476 -8.125 4.387 1.00 0.00 H new ATOM 0 HG3 GLN A 597 71.241 -6.618 4.851 1.00 0.00 H new ATOM 0 HE21 GLN A 597 68.413 -7.342 6.760 1.00 0.00 H new ATOM 0 HE22 GLN A 597 69.269 -7.971 8.171 1.00 0.00 H new ATOM 906 N ASN A 598 71.114 -4.137 5.298 1.00 0.00 N ATOM 907 CA ASN A 598 72.435 -3.648 5.780 1.00 0.00 C ATOM 908 C ASN A 598 72.177 -2.588 6.841 1.00 0.00 C ATOM 909 O ASN A 598 72.773 -2.585 7.899 1.00 0.00 O ATOM 910 CB ASN A 598 73.233 -3.032 4.627 1.00 0.00 C ATOM 911 CG ASN A 598 72.293 -2.368 3.622 1.00 0.00 C ATOM 912 OD1 ASN A 598 72.250 -1.159 3.516 1.00 0.00 O ATOM 913 ND2 ASN A 598 71.538 -3.118 2.873 1.00 0.00 N ATOM 0 H ASN A 598 70.903 -3.922 4.324 1.00 0.00 H new ATOM 0 HA ASN A 598 73.012 -4.478 6.189 1.00 0.00 H new ATOM 0 HB2 ASN A 598 73.937 -2.297 5.016 1.00 0.00 H new ATOM 0 HB3 ASN A 598 73.820 -3.804 4.130 1.00 0.00 H new ATOM 0 HD21 ASN A 598 70.908 -2.691 2.194 1.00 0.00 H new ATOM 0 HD22 ASN A 598 71.577 -4.133 2.965 1.00 0.00 H new ATOM 920 N CYS A 599 71.260 -1.704 6.561 1.00 0.00 N ATOM 921 CA CYS A 599 70.907 -0.642 7.547 1.00 0.00 C ATOM 922 C CYS A 599 70.369 -1.327 8.802 1.00 0.00 C ATOM 923 O CYS A 599 70.942 -1.218 9.860 1.00 0.00 O ATOM 924 CB CYS A 599 69.828 0.280 6.965 1.00 0.00 C ATOM 925 SG CYS A 599 70.603 1.723 6.194 1.00 0.00 S ATOM 0 H CYS A 599 70.736 -1.671 5.686 1.00 0.00 H new ATOM 0 HA CYS A 599 71.786 -0.042 7.782 1.00 0.00 H new ATOM 0 HB2 CYS A 599 69.233 -0.261 6.229 1.00 0.00 H new ATOM 0 HB3 CYS A 599 69.146 0.600 7.753 1.00 0.00 H new ATOM 930 N PHE A 600 69.289 -2.061 8.678 1.00 0.00 N ATOM 931 CA PHE A 600 68.722 -2.792 9.855 1.00 0.00 C ATOM 932 C PHE A 600 69.861 -3.533 10.550 1.00 0.00 C ATOM 933 O PHE A 600 70.031 -3.461 11.750 1.00 0.00 O ATOM 934 CB PHE A 600 67.674 -3.788 9.345 1.00 0.00 C ATOM 935 CG PHE A 600 67.364 -4.832 10.396 1.00 0.00 C ATOM 936 CD1 PHE A 600 68.167 -5.974 10.506 1.00 0.00 C ATOM 937 CD2 PHE A 600 66.264 -4.665 11.247 1.00 0.00 C ATOM 938 CE1 PHE A 600 67.873 -6.947 11.467 1.00 0.00 C ATOM 939 CE2 PHE A 600 65.971 -5.640 12.209 1.00 0.00 C ATOM 940 CZ PHE A 600 66.775 -6.780 12.319 1.00 0.00 C ATOM 0 H PHE A 600 68.773 -2.186 7.807 1.00 0.00 H new ATOM 0 HA PHE A 600 68.253 -2.105 10.560 1.00 0.00 H new ATOM 0 HB2 PHE A 600 66.762 -3.256 9.075 1.00 0.00 H new ATOM 0 HB3 PHE A 600 68.039 -4.274 8.440 1.00 0.00 H new ATOM 0 HD1 PHE A 600 69.014 -6.104 9.848 1.00 0.00 H new ATOM 0 HD2 PHE A 600 65.643 -3.786 11.162 1.00 0.00 H new ATOM 0 HE1 PHE A 600 68.493 -7.827 11.552 1.00 0.00 H new ATOM 0 HE2 PHE A 600 65.124 -5.512 12.866 1.00 0.00 H new ATOM 0 HZ PHE A 600 66.548 -7.531 13.061 1.00 0.00 H new ATOM 950 N LEU A 601 70.659 -4.219 9.782 1.00 0.00 N ATOM 951 CA LEU A 601 71.824 -4.949 10.346 1.00 0.00 C ATOM 952 C LEU A 601 72.714 -3.936 11.077 1.00 0.00 C ATOM 953 O LEU A 601 73.440 -4.264 11.993 1.00 0.00 O ATOM 954 CB LEU A 601 72.582 -5.587 9.180 1.00 0.00 C ATOM 955 CG LEU A 601 73.864 -6.259 9.666 1.00 0.00 C ATOM 956 CD1 LEU A 601 73.524 -7.600 10.319 1.00 0.00 C ATOM 957 CD2 LEU A 601 74.782 -6.488 8.464 1.00 0.00 C ATOM 0 H LEU A 601 70.550 -4.305 8.771 1.00 0.00 H new ATOM 0 HA LEU A 601 71.516 -5.724 11.048 1.00 0.00 H new ATOM 0 HB2 LEU A 601 71.946 -6.322 8.686 1.00 0.00 H new ATOM 0 HB3 LEU A 601 72.824 -4.826 8.439 1.00 0.00 H new ATOM 0 HG LEU A 601 74.363 -5.625 10.399 1.00 0.00 H new ATOM 0 HD11 LEU A 601 74.440 -8.079 10.665 1.00 0.00 H new ATOM 0 HD12 LEU A 601 72.859 -7.434 11.166 1.00 0.00 H new ATOM 0 HD13 LEU A 601 73.031 -8.244 9.591 1.00 0.00 H new ATOM 0 HD21 LEU A 601 75.703 -6.968 8.796 1.00 0.00 H new ATOM 0 HD22 LEU A 601 74.280 -7.129 7.739 1.00 0.00 H new ATOM 0 HD23 LEU A 601 75.019 -5.531 7.999 1.00 0.00 H new ATOM 969 N LYS A 602 72.638 -2.700 10.665 1.00 0.00 N ATOM 970 CA LYS A 602 73.442 -1.615 11.298 1.00 0.00 C ATOM 971 C LYS A 602 72.654 -0.993 12.457 1.00 0.00 C ATOM 972 O LYS A 602 73.214 -0.626 13.471 1.00 0.00 O ATOM 973 CB LYS A 602 73.712 -0.533 10.248 1.00 0.00 C ATOM 974 CG LYS A 602 75.156 -0.046 10.357 1.00 0.00 C ATOM 975 CD LYS A 602 76.106 -1.089 9.755 1.00 0.00 C ATOM 976 CE LYS A 602 76.042 -1.027 8.226 1.00 0.00 C ATOM 977 NZ LYS A 602 77.319 -1.545 7.655 1.00 0.00 N ATOM 0 H LYS A 602 72.039 -2.390 9.900 1.00 0.00 H new ATOM 0 HA LYS A 602 74.378 -2.026 11.676 1.00 0.00 H new ATOM 0 HB2 LYS A 602 73.528 -0.930 9.250 1.00 0.00 H new ATOM 0 HB3 LYS A 602 73.026 0.302 10.390 1.00 0.00 H new ATOM 0 HG2 LYS A 602 75.269 0.905 9.836 1.00 0.00 H new ATOM 0 HG3 LYS A 602 75.411 0.131 11.402 1.00 0.00 H new ATOM 0 HD2 LYS A 602 77.126 -0.904 10.093 1.00 0.00 H new ATOM 0 HD3 LYS A 602 75.832 -2.086 10.100 1.00 0.00 H new ATOM 0 HE2 LYS A 602 75.202 -1.618 7.862 1.00 0.00 H new ATOM 0 HE3 LYS A 602 75.875 -0.001 7.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 602 77.277 -1.504 6.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 602 78.112 -0.963 7.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 602 77.460 -2.530 7.957 1.00 0.00 H new ATOM 991 N LEU A 603 71.362 -0.853 12.304 1.00 0.00 N ATOM 992 CA LEU A 603 70.536 -0.238 13.383 1.00 0.00 C ATOM 993 C LEU A 603 70.151 -1.302 14.411 1.00 0.00 C ATOM 994 O LEU A 603 70.437 -1.179 15.586 1.00 0.00 O ATOM 995 CB LEU A 603 69.254 0.364 12.787 1.00 0.00 C ATOM 996 CG LEU A 603 69.523 0.972 11.404 1.00 0.00 C ATOM 997 CD1 LEU A 603 68.271 1.709 10.924 1.00 0.00 C ATOM 998 CD2 LEU A 603 70.694 1.959 11.476 1.00 0.00 C ATOM 0 H LEU A 603 70.843 -1.140 11.474 1.00 0.00 H new ATOM 0 HA LEU A 603 71.119 0.547 13.864 1.00 0.00 H new ATOM 0 HB2 LEU A 603 68.489 -0.408 12.706 1.00 0.00 H new ATOM 0 HB3 LEU A 603 68.863 1.131 13.456 1.00 0.00 H new ATOM 0 HG LEU A 603 69.775 0.172 10.708 1.00 0.00 H new ATOM 0 HD11 LEU A 603 68.458 2.142 9.942 1.00 0.00 H new ATOM 0 HD12 LEU A 603 67.439 1.008 10.859 1.00 0.00 H new ATOM 0 HD13 LEU A 603 68.023 2.502 11.629 1.00 0.00 H new ATOM 0 HD21 LEU A 603 70.874 2.383 10.488 1.00 0.00 H new ATOM 0 HD22 LEU A 603 70.453 2.759 12.176 1.00 0.00 H new ATOM 0 HD23 LEU A 603 71.589 1.438 11.816 1.00 0.00 H new ATOM 1010 N PHE A 604 69.492 -2.340 13.973 1.00 0.00 N ATOM 1011 CA PHE A 604 69.065 -3.417 14.911 1.00 0.00 C ATOM 1012 C PHE A 604 70.283 -4.212 15.386 1.00 0.00 C ATOM 1013 O PHE A 604 70.241 -4.869 16.408 1.00 0.00 O ATOM 1014 CB PHE A 604 68.096 -4.356 14.193 1.00 0.00 C ATOM 1015 CG PHE A 604 67.315 -5.153 15.213 1.00 0.00 C ATOM 1016 CD1 PHE A 604 66.306 -4.534 15.961 1.00 0.00 C ATOM 1017 CD2 PHE A 604 67.600 -6.510 15.410 1.00 0.00 C ATOM 1018 CE1 PHE A 604 65.583 -5.271 16.905 1.00 0.00 C ATOM 1019 CE2 PHE A 604 66.876 -7.246 16.355 1.00 0.00 C ATOM 1020 CZ PHE A 604 65.868 -6.627 17.103 1.00 0.00 C ATOM 0 H PHE A 604 69.229 -2.489 12.999 1.00 0.00 H new ATOM 0 HA PHE A 604 68.574 -2.967 15.774 1.00 0.00 H new ATOM 0 HB2 PHE A 604 67.414 -3.782 13.566 1.00 0.00 H new ATOM 0 HB3 PHE A 604 68.646 -5.028 13.534 1.00 0.00 H new ATOM 0 HD1 PHE A 604 66.086 -3.488 15.809 1.00 0.00 H new ATOM 0 HD2 PHE A 604 68.378 -6.988 14.833 1.00 0.00 H new ATOM 0 HE1 PHE A 604 64.804 -4.793 17.481 1.00 0.00 H new ATOM 0 HE2 PHE A 604 67.095 -8.292 16.507 1.00 0.00 H new ATOM 0 HZ PHE A 604 65.310 -7.195 17.833 1.00 0.00 H new ATOM 1030 N CYS A 605 71.362 -4.163 14.651 1.00 0.00 N ATOM 1031 CA CYS A 605 72.580 -4.924 15.062 1.00 0.00 C ATOM 1032 C CYS A 605 73.837 -4.101 14.750 1.00 0.00 C ATOM 1033 O CYS A 605 73.740 -2.886 14.760 1.00 0.00 O ATOM 1034 CB CYS A 605 72.621 -6.258 14.306 1.00 0.00 C ATOM 1035 SG CYS A 605 73.623 -7.447 15.232 1.00 0.00 S ATOM 1036 OXT CYS A 605 74.876 -4.698 14.513 1.00 0.00 O ATOM 0 H CYS A 605 71.454 -3.631 13.786 1.00 0.00 H new ATOM 0 HA CYS A 605 72.546 -5.118 16.134 1.00 0.00 H new ATOM 0 HB2 CYS A 605 71.610 -6.644 14.173 1.00 0.00 H new ATOM 0 HB3 CYS A 605 73.040 -6.111 13.310 1.00 0.00 H new ATOM 0 HG CYS A 605 73.656 -8.578 14.592 1.00 0.00 H new TER 1042 CYS A 605 HETATM 1043 ZN ZN A 701 56.116 6.940 -6.064 1.00 0.00 ZN HETATM 1044 ZN ZN A 702 69.050 2.326 4.606 1.00 0.00 ZN