USER MOD reduce.3.24.130724 H: found=0, std=0, add=386, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 386 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 609 HIS HE2 : A 609 HIS NE2 : A 702 ZNZN :(H bumps) USER MOD Single : A 566 THR OG1 : rot 35:sc= 0.246 USER MOD Single : A 571 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 577 GLN : amide:sc= 0.947 K(o=0.95,f=0) USER MOD Single : A 578 SER OG : rot 107:sc= 1.45 USER MOD Single : A 581 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 582 TYR OH : rot 180:sc= 0 USER MOD Single : A 583 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 585 HIS : no HD1:sc= 0.232 K(o=0.23,f=-2.5!) USER MOD Single : A 586 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 587 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 592 SER OG : rot 180:sc= 0 USER MOD Single : A 606 CYS SG : rot 58:sc= 0.0981 USER MOD Single : A 608 TYR OH : rot -1:sc= 0.43 USER MOD Single : A 611 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 566 -3.709 -10.208 -15.075 1.00 0.00 N ATOM 2 CA THR A 566 -3.363 -11.406 -15.877 1.00 0.00 C ATOM 3 C THR A 566 -2.539 -12.407 -15.073 1.00 0.00 C ATOM 4 O THR A 566 -3.021 -13.509 -14.812 1.00 0.00 O ATOM 5 CB THR A 566 -2.669 -11.026 -17.188 1.00 0.00 C ATOM 6 OG1 THR A 566 -3.468 -10.066 -17.844 1.00 0.00 O ATOM 7 CG2 THR A 566 -2.522 -12.209 -18.147 1.00 0.00 C ATOM 0 HA THR A 566 -4.299 -11.899 -16.138 1.00 0.00 H new ATOM 0 HB THR A 566 -1.675 -10.659 -16.934 1.00 0.00 H new ATOM 0 HG1 THR A 566 -3.897 -9.488 -17.179 1.00 0.00 H new ATOM 0 HG21 THR A 566 -2.023 -11.879 -19.058 1.00 0.00 H new ATOM 0 HG22 THR A 566 -1.930 -12.991 -17.672 1.00 0.00 H new ATOM 0 HG23 THR A 566 -3.508 -12.601 -18.395 1.00 0.00 H new ATOM 15 N ASP A 567 -1.315 -12.057 -14.661 1.00 0.00 N ATOM 16 CA ASP A 567 -0.392 -12.927 -13.902 1.00 0.00 C ATOM 17 C ASP A 567 0.461 -12.185 -12.844 1.00 0.00 C ATOM 18 O ASP A 567 1.271 -12.791 -12.140 1.00 0.00 O ATOM 19 CB ASP A 567 0.488 -13.724 -14.882 1.00 0.00 C ATOM 20 CG ASP A 567 1.488 -12.843 -15.655 1.00 0.00 C ATOM 21 OD1 ASP A 567 1.109 -12.273 -16.706 1.00 0.00 O ATOM 22 OD2 ASP A 567 2.664 -12.737 -15.231 1.00 0.00 O ATOM 0 H ASP A 567 -0.922 -11.135 -14.849 1.00 0.00 H new ATOM 0 HA ASP A 567 -1.011 -13.611 -13.322 1.00 0.00 H new ATOM 0 HB2 ASP A 567 1.037 -14.486 -14.329 1.00 0.00 H new ATOM 0 HB3 ASP A 567 -0.152 -14.245 -15.594 1.00 0.00 H new ATOM 27 N GLU A 568 0.259 -10.874 -12.711 1.00 0.00 N ATOM 28 CA GLU A 568 0.943 -9.962 -11.786 1.00 0.00 C ATOM 29 C GLU A 568 0.095 -9.616 -10.542 1.00 0.00 C ATOM 30 O GLU A 568 -1.090 -9.957 -10.458 1.00 0.00 O ATOM 31 CB GLU A 568 1.401 -8.698 -12.551 1.00 0.00 C ATOM 32 CG GLU A 568 0.279 -7.813 -13.131 1.00 0.00 C ATOM 33 CD GLU A 568 -0.266 -8.334 -14.476 1.00 0.00 C ATOM 34 OE1 GLU A 568 -1.167 -9.209 -14.469 1.00 0.00 O ATOM 35 OE2 GLU A 568 0.195 -7.869 -15.546 1.00 0.00 O ATOM 0 H GLU A 568 -0.431 -10.386 -13.282 1.00 0.00 H new ATOM 0 HA GLU A 568 1.822 -10.475 -11.396 1.00 0.00 H new ATOM 0 HB2 GLU A 568 2.005 -8.089 -11.878 1.00 0.00 H new ATOM 0 HB3 GLU A 568 2.051 -9.009 -13.369 1.00 0.00 H new ATOM 0 HG2 GLU A 568 -0.538 -7.755 -12.412 1.00 0.00 H new ATOM 0 HG3 GLU A 568 0.657 -6.800 -13.267 1.00 0.00 H new ATOM 42 N ALA A 569 0.697 -8.905 -9.581 1.00 0.00 N ATOM 43 CA ALA A 569 0.037 -8.341 -8.408 1.00 0.00 C ATOM 44 C ALA A 569 0.442 -6.870 -8.243 1.00 0.00 C ATOM 45 O ALA A 569 1.615 -6.561 -8.033 1.00 0.00 O ATOM 46 CB ALA A 569 0.406 -9.149 -7.159 1.00 0.00 C ATOM 0 H ALA A 569 1.696 -8.702 -9.605 1.00 0.00 H new ATOM 0 HA ALA A 569 -1.044 -8.392 -8.542 1.00 0.00 H new ATOM 0 HB1 ALA A 569 -0.091 -8.721 -6.289 1.00 0.00 H new ATOM 0 HB2 ALA A 569 0.086 -10.183 -7.287 1.00 0.00 H new ATOM 0 HB3 ALA A 569 1.486 -9.118 -7.012 1.00 0.00 H new ATOM 52 N LEU A 570 -0.546 -5.981 -8.330 1.00 0.00 N ATOM 53 CA LEU A 570 -0.489 -4.554 -8.015 1.00 0.00 C ATOM 54 C LEU A 570 -1.857 -4.125 -7.466 1.00 0.00 C ATOM 55 O LEU A 570 -2.897 -4.510 -8.010 1.00 0.00 O ATOM 56 CB LEU A 570 -0.121 -3.726 -9.261 1.00 0.00 C ATOM 57 CG LEU A 570 1.301 -3.973 -9.799 1.00 0.00 C ATOM 58 CD1 LEU A 570 1.492 -3.247 -11.115 1.00 0.00 C ATOM 59 CD2 LEU A 570 2.387 -3.453 -8.863 1.00 0.00 C ATOM 0 H LEU A 570 -1.475 -6.259 -8.645 1.00 0.00 H new ATOM 0 HA LEU A 570 0.285 -4.376 -7.269 1.00 0.00 H new ATOM 0 HB2 LEU A 570 -0.838 -3.946 -10.052 1.00 0.00 H new ATOM 0 HB3 LEU A 570 -0.226 -2.668 -9.022 1.00 0.00 H new ATOM 0 HG LEU A 570 1.395 -5.054 -9.903 1.00 0.00 H new ATOM 0 HD11 LEU A 570 2.500 -3.428 -11.487 1.00 0.00 H new ATOM 0 HD12 LEU A 570 0.766 -3.613 -11.841 1.00 0.00 H new ATOM 0 HD13 LEU A 570 1.347 -2.177 -10.965 1.00 0.00 H new ATOM 0 HD21 LEU A 570 3.367 -3.655 -9.295 1.00 0.00 H new ATOM 0 HD22 LEU A 570 2.266 -2.378 -8.726 1.00 0.00 H new ATOM 0 HD23 LEU A 570 2.306 -3.953 -7.898 1.00 0.00 H new ATOM 71 N LYS A 571 -1.855 -3.340 -6.387 1.00 0.00 N ATOM 72 CA LYS A 571 -3.066 -2.890 -5.678 1.00 0.00 C ATOM 73 C LYS A 571 -3.428 -1.434 -6.016 1.00 0.00 C ATOM 74 O LYS A 571 -2.532 -0.635 -6.306 1.00 0.00 O ATOM 75 CB LYS A 571 -2.918 -3.089 -4.159 1.00 0.00 C ATOM 76 CG LYS A 571 -2.728 -4.564 -3.773 1.00 0.00 C ATOM 77 CD LYS A 571 -2.680 -4.724 -2.247 1.00 0.00 C ATOM 78 CE LYS A 571 -2.501 -6.188 -1.814 1.00 0.00 C ATOM 79 NZ LYS A 571 -3.714 -7.012 -2.064 1.00 0.00 N ATOM 0 H LYS A 571 -0.994 -2.988 -5.968 1.00 0.00 H new ATOM 0 HA LYS A 571 -3.893 -3.510 -6.024 1.00 0.00 H new ATOM 0 HB2 LYS A 571 -2.066 -2.511 -3.802 1.00 0.00 H new ATOM 0 HB3 LYS A 571 -3.802 -2.697 -3.657 1.00 0.00 H new ATOM 0 HG2 LYS A 571 -3.545 -5.160 -4.181 1.00 0.00 H new ATOM 0 HG3 LYS A 571 -1.806 -4.944 -4.213 1.00 0.00 H new ATOM 0 HD2 LYS A 571 -1.860 -4.128 -1.848 1.00 0.00 H new ATOM 0 HD3 LYS A 571 -3.600 -4.330 -1.815 1.00 0.00 H new ATOM 0 HE2 LYS A 571 -1.656 -6.621 -2.350 1.00 0.00 H new ATOM 0 HE3 LYS A 571 -2.256 -6.221 -0.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 571 -3.540 -7.989 -1.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 571 -4.517 -6.618 -1.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 571 -3.935 -7.005 -3.080 1.00 0.00 H new ATOM 93 N PRO A 572 -4.719 -1.063 -5.949 1.00 0.00 N ATOM 94 CA PRO A 572 -5.160 0.318 -6.089 1.00 0.00 C ATOM 95 C PRO A 572 -4.783 1.152 -4.856 1.00 0.00 C ATOM 96 O PRO A 572 -4.995 0.741 -3.712 1.00 0.00 O ATOM 97 CB PRO A 572 -6.676 0.247 -6.279 1.00 0.00 C ATOM 98 CG PRO A 572 -7.073 -1.029 -5.534 1.00 0.00 C ATOM 99 CD PRO A 572 -5.852 -1.937 -5.689 1.00 0.00 C ATOM 0 HA PRO A 572 -4.677 0.810 -6.933 1.00 0.00 H new ATOM 0 HB2 PRO A 572 -7.173 1.124 -5.865 1.00 0.00 H new ATOM 0 HB3 PRO A 572 -6.946 0.196 -7.334 1.00 0.00 H new ATOM 0 HG2 PRO A 572 -7.292 -0.828 -4.485 1.00 0.00 H new ATOM 0 HG3 PRO A 572 -7.966 -1.482 -5.965 1.00 0.00 H new ATOM 0 HD2 PRO A 572 -5.689 -2.526 -4.786 1.00 0.00 H new ATOM 0 HD3 PRO A 572 -5.994 -2.642 -6.508 1.00 0.00 H new ATOM 107 N CYS A 573 -4.278 2.356 -5.106 1.00 0.00 N ATOM 108 CA CYS A 573 -4.031 3.395 -4.115 1.00 0.00 C ATOM 109 C CYS A 573 -5.324 3.767 -3.352 1.00 0.00 C ATOM 110 O CYS A 573 -6.360 4.028 -3.975 1.00 0.00 O ATOM 111 CB CYS A 573 -3.446 4.561 -4.908 1.00 0.00 C ATOM 112 SG CYS A 573 -3.324 6.171 -4.036 1.00 0.00 S ATOM 0 H CYS A 573 -4.018 2.646 -6.049 1.00 0.00 H new ATOM 0 HA CYS A 573 -3.343 3.073 -3.334 1.00 0.00 H new ATOM 0 HB2 CYS A 573 -2.448 4.278 -5.242 1.00 0.00 H new ATOM 0 HB3 CYS A 573 -4.053 4.703 -5.802 1.00 0.00 H new ATOM 117 N PRO A 574 -5.294 3.831 -2.011 1.00 0.00 N ATOM 118 CA PRO A 574 -6.451 4.156 -1.170 1.00 0.00 C ATOM 119 C PRO A 574 -6.970 5.596 -1.350 1.00 0.00 C ATOM 120 O PRO A 574 -8.039 5.922 -0.825 1.00 0.00 O ATOM 121 CB PRO A 574 -5.981 3.879 0.267 1.00 0.00 C ATOM 122 CG PRO A 574 -4.479 4.090 0.178 1.00 0.00 C ATOM 123 CD PRO A 574 -4.125 3.574 -1.196 1.00 0.00 C ATOM 0 HA PRO A 574 -7.313 3.550 -1.448 1.00 0.00 H new ATOM 0 HB2 PRO A 574 -6.443 4.560 0.982 1.00 0.00 H new ATOM 0 HB3 PRO A 574 -6.229 2.866 0.585 1.00 0.00 H new ATOM 0 HG2 PRO A 574 -4.215 5.142 0.291 1.00 0.00 H new ATOM 0 HG3 PRO A 574 -3.951 3.543 0.959 1.00 0.00 H new ATOM 0 HD2 PRO A 574 -3.248 4.084 -1.594 1.00 0.00 H new ATOM 0 HD3 PRO A 574 -3.890 2.510 -1.169 1.00 0.00 H new ATOM 131 N ARG A 575 -6.250 6.457 -2.092 1.00 0.00 N ATOM 132 CA ARG A 575 -6.623 7.859 -2.358 1.00 0.00 C ATOM 133 C ARG A 575 -7.144 8.110 -3.774 1.00 0.00 C ATOM 134 O ARG A 575 -8.160 8.794 -3.919 1.00 0.00 O ATOM 135 CB ARG A 575 -5.418 8.763 -2.074 1.00 0.00 C ATOM 136 CG ARG A 575 -5.088 8.798 -0.577 1.00 0.00 C ATOM 137 CD ARG A 575 -4.051 9.879 -0.263 1.00 0.00 C ATOM 138 NE ARG A 575 -3.851 10.000 1.193 1.00 0.00 N ATOM 139 CZ ARG A 575 -4.476 10.815 2.026 1.00 0.00 C ATOM 140 NH1 ARG A 575 -5.374 11.671 1.627 1.00 0.00 N ATOM 141 NH2 ARG A 575 -4.211 10.782 3.300 1.00 0.00 N ATOM 0 H ARG A 575 -5.370 6.191 -2.534 1.00 0.00 H new ATOM 0 HA ARG A 575 -7.453 8.093 -1.692 1.00 0.00 H new ATOM 0 HB2 ARG A 575 -4.552 8.404 -2.631 1.00 0.00 H new ATOM 0 HB3 ARG A 575 -5.628 9.773 -2.426 1.00 0.00 H new ATOM 0 HG2 ARG A 575 -5.997 8.986 -0.006 1.00 0.00 H new ATOM 0 HG3 ARG A 575 -4.710 7.825 -0.263 1.00 0.00 H new ATOM 0 HD2 ARG A 575 -3.105 9.634 -0.746 1.00 0.00 H new ATOM 0 HD3 ARG A 575 -4.379 10.835 -0.671 1.00 0.00 H new ATOM 0 HE ARG A 575 -3.150 9.384 1.605 1.00 0.00 H new ATOM 0 HH11 ARG A 575 -5.618 11.730 0.638 1.00 0.00 H new ATOM 0 HH12 ARG A 575 -5.832 12.282 2.303 1.00 0.00 H new ATOM 0 HH21 ARG A 575 -3.518 10.125 3.660 1.00 0.00 H new ATOM 0 HH22 ARG A 575 -4.696 11.413 3.938 1.00 0.00 H new ATOM 155 N CYS A 576 -6.469 7.572 -4.795 1.00 0.00 N ATOM 156 CA CYS A 576 -6.775 7.826 -6.211 1.00 0.00 C ATOM 157 C CYS A 576 -7.051 6.559 -7.051 1.00 0.00 C ATOM 158 O CYS A 576 -7.408 6.661 -8.228 1.00 0.00 O ATOM 159 CB CYS A 576 -5.688 8.732 -6.812 1.00 0.00 C ATOM 160 SG CYS A 576 -4.126 7.858 -7.057 1.00 0.00 S ATOM 0 H CYS A 576 -5.682 6.937 -4.661 1.00 0.00 H new ATOM 0 HA CYS A 576 -7.730 8.349 -6.248 1.00 0.00 H new ATOM 0 HB2 CYS A 576 -6.034 9.127 -7.767 1.00 0.00 H new ATOM 0 HB3 CYS A 576 -5.525 9.586 -6.154 1.00 0.00 H new ATOM 165 N GLN A 577 -6.932 5.372 -6.443 1.00 0.00 N ATOM 166 CA GLN A 577 -7.140 4.053 -7.062 1.00 0.00 C ATOM 167 C GLN A 577 -6.190 3.736 -8.239 1.00 0.00 C ATOM 168 O GLN A 577 -6.402 2.759 -8.962 1.00 0.00 O ATOM 169 CB GLN A 577 -8.632 3.816 -7.387 1.00 0.00 C ATOM 170 CG GLN A 577 -9.608 3.977 -6.204 1.00 0.00 C ATOM 171 CD GLN A 577 -9.669 2.752 -5.291 1.00 0.00 C ATOM 172 OE1 GLN A 577 -10.512 1.877 -5.440 1.00 0.00 O ATOM 173 NE2 GLN A 577 -8.796 2.626 -4.313 1.00 0.00 N ATOM 0 H GLN A 577 -6.676 5.300 -5.458 1.00 0.00 H new ATOM 0 HA GLN A 577 -6.854 3.319 -6.309 1.00 0.00 H new ATOM 0 HB2 GLN A 577 -8.928 4.509 -8.175 1.00 0.00 H new ATOM 0 HB3 GLN A 577 -8.742 2.809 -7.790 1.00 0.00 H new ATOM 0 HG2 GLN A 577 -9.312 4.845 -5.615 1.00 0.00 H new ATOM 0 HG3 GLN A 577 -10.606 4.181 -6.592 1.00 0.00 H new ATOM 0 HE21 GLN A 577 -8.084 3.342 -4.169 1.00 0.00 H new ATOM 0 HE22 GLN A 577 -8.832 1.812 -3.699 1.00 0.00 H new ATOM 182 N SER A 578 -5.111 4.510 -8.411 1.00 0.00 N ATOM 183 CA SER A 578 -4.032 4.213 -9.368 1.00 0.00 C ATOM 184 C SER A 578 -3.285 2.925 -8.971 1.00 0.00 C ATOM 185 O SER A 578 -3.192 2.640 -7.773 1.00 0.00 O ATOM 186 CB SER A 578 -3.028 5.375 -9.430 1.00 0.00 C ATOM 187 OG SER A 578 -3.663 6.594 -9.778 1.00 0.00 O ATOM 0 H SER A 578 -4.959 5.370 -7.885 1.00 0.00 H new ATOM 0 HA SER A 578 -4.490 4.075 -10.348 1.00 0.00 H new ATOM 0 HB2 SER A 578 -2.536 5.483 -8.464 1.00 0.00 H new ATOM 0 HB3 SER A 578 -2.251 5.147 -10.160 1.00 0.00 H new ATOM 0 HG SER A 578 -3.724 7.169 -8.987 1.00 0.00 H new ATOM 193 N PRO A 579 -2.719 2.147 -9.917 1.00 0.00 N ATOM 194 CA PRO A 579 -1.878 0.993 -9.599 1.00 0.00 C ATOM 195 C PRO A 579 -0.607 1.454 -8.876 1.00 0.00 C ATOM 196 O PRO A 579 0.294 2.064 -9.457 1.00 0.00 O ATOM 197 CB PRO A 579 -1.572 0.305 -10.933 1.00 0.00 C ATOM 198 CG PRO A 579 -1.678 1.452 -11.937 1.00 0.00 C ATOM 199 CD PRO A 579 -2.787 2.329 -11.358 1.00 0.00 C ATOM 0 HA PRO A 579 -2.374 0.294 -8.926 1.00 0.00 H new ATOM 0 HB2 PRO A 579 -0.580 -0.146 -10.937 1.00 0.00 H new ATOM 0 HB3 PRO A 579 -2.285 -0.490 -11.151 1.00 0.00 H new ATOM 0 HG2 PRO A 579 -0.738 1.998 -12.024 1.00 0.00 H new ATOM 0 HG3 PRO A 579 -1.931 1.091 -12.934 1.00 0.00 H new ATOM 0 HD2 PRO A 579 -2.641 3.375 -11.628 1.00 0.00 H new ATOM 0 HD3 PRO A 579 -3.762 2.033 -11.745 1.00 0.00 H new ATOM 207 N ALA A 580 -0.551 1.164 -7.584 1.00 0.00 N ATOM 208 CA ALA A 580 0.584 1.449 -6.717 1.00 0.00 C ATOM 209 C ALA A 580 1.659 0.356 -6.843 1.00 0.00 C ATOM 210 O ALA A 580 1.331 -0.828 -6.967 1.00 0.00 O ATOM 211 CB ALA A 580 0.059 1.581 -5.287 1.00 0.00 C ATOM 0 H ALA A 580 -1.321 0.708 -7.094 1.00 0.00 H new ATOM 0 HA ALA A 580 1.066 2.382 -7.010 1.00 0.00 H new ATOM 0 HB1 ALA A 580 0.889 1.795 -4.613 1.00 0.00 H new ATOM 0 HB2 ALA A 580 -0.666 2.393 -5.239 1.00 0.00 H new ATOM 0 HB3 ALA A 580 -0.420 0.649 -4.988 1.00 0.00 H new ATOM 217 N LYS A 581 2.941 0.737 -6.764 1.00 0.00 N ATOM 218 CA LYS A 581 4.079 -0.192 -6.727 1.00 0.00 C ATOM 219 C LYS A 581 3.971 -1.053 -5.470 1.00 0.00 C ATOM 220 O LYS A 581 4.101 -0.552 -4.351 1.00 0.00 O ATOM 221 CB LYS A 581 5.411 0.577 -6.777 1.00 0.00 C ATOM 222 CG LYS A 581 6.574 -0.367 -7.118 1.00 0.00 C ATOM 223 CD LYS A 581 7.909 0.391 -7.169 1.00 0.00 C ATOM 224 CE LYS A 581 9.092 -0.536 -7.483 1.00 0.00 C ATOM 225 NZ LYS A 581 9.095 -1.001 -8.897 1.00 0.00 N ATOM 0 H LYS A 581 3.222 1.717 -6.723 1.00 0.00 H new ATOM 0 HA LYS A 581 4.056 -0.842 -7.602 1.00 0.00 H new ATOM 0 HB2 LYS A 581 5.350 1.370 -7.522 1.00 0.00 H new ATOM 0 HB3 LYS A 581 5.596 1.056 -5.816 1.00 0.00 H new ATOM 0 HG2 LYS A 581 6.632 -1.161 -6.373 1.00 0.00 H new ATOM 0 HG3 LYS A 581 6.388 -0.845 -8.080 1.00 0.00 H new ATOM 0 HD2 LYS A 581 7.852 1.173 -7.926 1.00 0.00 H new ATOM 0 HD3 LYS A 581 8.081 0.885 -6.213 1.00 0.00 H new ATOM 0 HE2 LYS A 581 10.025 -0.012 -7.275 1.00 0.00 H new ATOM 0 HE3 LYS A 581 9.057 -1.401 -6.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 581 9.913 -1.623 -9.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 581 8.218 -1.525 -9.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 581 9.156 -0.180 -9.532 1.00 0.00 H new ATOM 239 N TYR A 582 3.683 -2.332 -5.667 1.00 0.00 N ATOM 240 CA TYR A 582 3.363 -3.271 -4.599 1.00 0.00 C ATOM 241 C TYR A 582 4.634 -3.905 -4.020 1.00 0.00 C ATOM 242 O TYR A 582 5.525 -4.326 -4.762 1.00 0.00 O ATOM 243 CB TYR A 582 2.399 -4.320 -5.164 1.00 0.00 C ATOM 244 CG TYR A 582 1.866 -5.351 -4.200 1.00 0.00 C ATOM 245 CD1 TYR A 582 1.520 -5.008 -2.881 1.00 0.00 C ATOM 246 CD2 TYR A 582 1.698 -6.668 -4.659 1.00 0.00 C ATOM 247 CE1 TYR A 582 1.052 -5.998 -1.999 1.00 0.00 C ATOM 248 CE2 TYR A 582 1.218 -7.660 -3.783 1.00 0.00 C ATOM 249 CZ TYR A 582 0.895 -7.328 -2.449 1.00 0.00 C ATOM 250 OH TYR A 582 0.416 -8.287 -1.610 1.00 0.00 O ATOM 0 H TYR A 582 3.665 -2.756 -6.595 1.00 0.00 H new ATOM 0 HA TYR A 582 2.883 -2.751 -3.770 1.00 0.00 H new ATOM 0 HB2 TYR A 582 1.550 -3.797 -5.604 1.00 0.00 H new ATOM 0 HB3 TYR A 582 2.906 -4.844 -5.974 1.00 0.00 H new ATOM 0 HD1 TYR A 582 1.614 -3.986 -2.546 1.00 0.00 H new ATOM 0 HD2 TYR A 582 1.937 -6.919 -5.682 1.00 0.00 H new ATOM 0 HE1 TYR A 582 0.813 -5.742 -0.978 1.00 0.00 H new ATOM 0 HE2 TYR A 582 1.097 -8.675 -4.131 1.00 0.00 H new ATOM 0 HH TYR A 582 0.372 -9.144 -2.084 1.00 0.00 H new ATOM 260 N GLN A 583 4.715 -3.973 -2.690 1.00 0.00 N ATOM 261 CA GLN A 583 5.876 -4.454 -1.940 1.00 0.00 C ATOM 262 C GLN A 583 5.436 -5.536 -0.930 1.00 0.00 C ATOM 263 O GLN A 583 5.402 -5.279 0.277 1.00 0.00 O ATOM 264 CB GLN A 583 6.586 -3.259 -1.265 1.00 0.00 C ATOM 265 CG GLN A 583 6.745 -1.992 -2.138 1.00 0.00 C ATOM 266 CD GLN A 583 7.650 -0.927 -1.519 1.00 0.00 C ATOM 267 OE1 GLN A 583 8.156 -1.032 -0.410 1.00 0.00 O ATOM 268 NE2 GLN A 583 7.889 0.160 -2.221 1.00 0.00 N ATOM 0 H GLN A 583 3.947 -3.684 -2.084 1.00 0.00 H new ATOM 0 HA GLN A 583 6.596 -4.921 -2.613 1.00 0.00 H new ATOM 0 HB2 GLN A 583 6.031 -2.991 -0.366 1.00 0.00 H new ATOM 0 HB3 GLN A 583 7.576 -3.583 -0.944 1.00 0.00 H new ATOM 0 HG2 GLN A 583 7.149 -2.279 -3.109 1.00 0.00 H new ATOM 0 HG3 GLN A 583 5.761 -1.560 -2.317 1.00 0.00 H new ATOM 0 HE21 GLN A 583 7.478 0.269 -3.148 1.00 0.00 H new ATOM 0 HE22 GLN A 583 8.486 0.893 -1.838 1.00 0.00 H new ATOM 277 N PRO A 584 5.053 -6.748 -1.384 1.00 0.00 N ATOM 278 CA PRO A 584 4.519 -7.809 -0.517 1.00 0.00 C ATOM 279 C PRO A 584 5.512 -8.286 0.556 1.00 0.00 C ATOM 280 O PRO A 584 5.105 -8.686 1.648 1.00 0.00 O ATOM 281 CB PRO A 584 4.128 -8.951 -1.465 1.00 0.00 C ATOM 282 CG PRO A 584 4.974 -8.712 -2.715 1.00 0.00 C ATOM 283 CD PRO A 584 5.091 -7.194 -2.769 1.00 0.00 C ATOM 0 HA PRO A 584 3.671 -7.435 0.056 1.00 0.00 H new ATOM 0 HB2 PRO A 584 4.339 -9.925 -1.023 1.00 0.00 H new ATOM 0 HB3 PRO A 584 3.063 -8.929 -1.696 1.00 0.00 H new ATOM 0 HG2 PRO A 584 5.951 -9.189 -2.638 1.00 0.00 H new ATOM 0 HG3 PRO A 584 4.494 -9.111 -3.609 1.00 0.00 H new ATOM 0 HD2 PRO A 584 6.019 -6.890 -3.253 1.00 0.00 H new ATOM 0 HD3 PRO A 584 4.274 -6.758 -3.344 1.00 0.00 H new ATOM 291 N HIS A 585 6.817 -8.177 0.286 1.00 0.00 N ATOM 292 CA HIS A 585 7.918 -8.457 1.220 1.00 0.00 C ATOM 293 C HIS A 585 8.057 -7.423 2.353 1.00 0.00 C ATOM 294 O HIS A 585 8.670 -7.720 3.381 1.00 0.00 O ATOM 295 CB HIS A 585 9.222 -8.567 0.412 1.00 0.00 C ATOM 296 CG HIS A 585 9.638 -7.311 -0.329 1.00 0.00 C ATOM 297 ND1 HIS A 585 8.806 -6.494 -1.106 1.00 0.00 N ATOM 298 CD2 HIS A 585 10.914 -6.832 -0.408 1.00 0.00 C ATOM 299 CE1 HIS A 585 9.603 -5.549 -1.633 1.00 0.00 C ATOM 300 NE2 HIS A 585 10.872 -5.726 -1.228 1.00 0.00 N ATOM 0 H HIS A 585 7.152 -7.878 -0.630 1.00 0.00 H new ATOM 0 HA HIS A 585 7.693 -9.396 1.725 1.00 0.00 H new ATOM 0 HB2 HIS A 585 10.027 -8.851 1.090 1.00 0.00 H new ATOM 0 HB3 HIS A 585 9.114 -9.376 -0.311 1.00 0.00 H new ATOM 0 HD2 HIS A 585 11.787 -7.241 0.078 1.00 0.00 H new ATOM 0 HE1 HIS A 585 9.270 -4.759 -2.290 1.00 0.00 H new ATOM 0 HE2 HIS A 585 11.668 -5.142 -1.484 1.00 0.00 H new ATOM 308 N LYS A 586 7.466 -6.230 2.188 1.00 0.00 N ATOM 309 CA LYS A 586 7.430 -5.125 3.170 1.00 0.00 C ATOM 310 C LYS A 586 6.006 -4.752 3.620 1.00 0.00 C ATOM 311 O LYS A 586 5.839 -3.805 4.388 1.00 0.00 O ATOM 312 CB LYS A 586 8.170 -3.906 2.584 1.00 0.00 C ATOM 313 CG LYS A 586 9.664 -4.183 2.352 1.00 0.00 C ATOM 314 CD LYS A 586 10.379 -2.937 1.817 1.00 0.00 C ATOM 315 CE LYS A 586 11.873 -3.230 1.639 1.00 0.00 C ATOM 316 NZ LYS A 586 12.608 -2.043 1.125 1.00 0.00 N ATOM 0 H LYS A 586 6.975 -5.994 1.326 1.00 0.00 H new ATOM 0 HA LYS A 586 7.935 -5.468 4.073 1.00 0.00 H new ATOM 0 HB2 LYS A 586 7.705 -3.622 1.640 1.00 0.00 H new ATOM 0 HB3 LYS A 586 8.061 -3.059 3.261 1.00 0.00 H new ATOM 0 HG2 LYS A 586 10.128 -4.499 3.286 1.00 0.00 H new ATOM 0 HG3 LYS A 586 9.779 -5.004 1.645 1.00 0.00 H new ATOM 0 HD2 LYS A 586 9.942 -2.637 0.864 1.00 0.00 H new ATOM 0 HD3 LYS A 586 10.242 -2.104 2.507 1.00 0.00 H new ATOM 0 HE2 LYS A 586 12.300 -3.537 2.594 1.00 0.00 H new ATOM 0 HE3 LYS A 586 12.001 -4.064 0.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 586 13.615 -2.278 1.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 586 12.217 -1.765 0.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 586 12.507 -1.255 1.796 1.00 0.00 H new ATOM 330 N LYS A 587 4.983 -5.461 3.113 1.00 0.00 N ATOM 331 CA LYS A 587 3.542 -5.153 3.234 1.00 0.00 C ATOM 332 C LYS A 587 3.212 -3.671 2.977 1.00 0.00 C ATOM 333 O LYS A 587 2.407 -3.053 3.677 1.00 0.00 O ATOM 334 CB LYS A 587 2.978 -5.729 4.547 1.00 0.00 C ATOM 335 CG LYS A 587 2.787 -7.247 4.417 1.00 0.00 C ATOM 336 CD LYS A 587 2.237 -7.857 5.712 1.00 0.00 C ATOM 337 CE LYS A 587 1.652 -9.258 5.479 1.00 0.00 C ATOM 338 NZ LYS A 587 2.684 -10.247 5.066 1.00 0.00 N ATOM 0 H LYS A 587 5.146 -6.313 2.577 1.00 0.00 H new ATOM 0 HA LYS A 587 3.015 -5.662 2.427 1.00 0.00 H new ATOM 0 HB2 LYS A 587 3.657 -5.509 5.371 1.00 0.00 H new ATOM 0 HB3 LYS A 587 2.026 -5.254 4.783 1.00 0.00 H new ATOM 0 HG2 LYS A 587 2.104 -7.460 3.595 1.00 0.00 H new ATOM 0 HG3 LYS A 587 3.740 -7.715 4.169 1.00 0.00 H new ATOM 0 HD2 LYS A 587 3.034 -7.915 6.454 1.00 0.00 H new ATOM 0 HD3 LYS A 587 1.466 -7.205 6.122 1.00 0.00 H new ATOM 0 HE2 LYS A 587 1.169 -9.603 6.393 1.00 0.00 H new ATOM 0 HE3 LYS A 587 0.880 -9.202 4.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 587 2.237 -11.175 4.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 587 3.128 -9.935 4.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 587 3.409 -10.323 5.808 1.00 0.00 H new ATOM 352 N ARG A 588 3.850 -3.107 1.947 1.00 0.00 N ATOM 353 CA ARG A 588 3.827 -1.677 1.606 1.00 0.00 C ATOM 354 C ARG A 588 3.353 -1.463 0.168 1.00 0.00 C ATOM 355 O ARG A 588 3.544 -2.325 -0.689 1.00 0.00 O ATOM 356 CB ARG A 588 5.231 -1.112 1.884 1.00 0.00 C ATOM 357 CG ARG A 588 5.321 0.412 1.974 1.00 0.00 C ATOM 358 CD ARG A 588 6.702 0.781 2.525 1.00 0.00 C ATOM 359 NE ARG A 588 6.823 2.223 2.784 1.00 0.00 N ATOM 360 CZ ARG A 588 7.870 2.840 3.293 1.00 0.00 C ATOM 361 NH1 ARG A 588 9.006 2.231 3.499 1.00 0.00 N ATOM 362 NH2 ARG A 588 7.796 4.094 3.620 1.00 0.00 N ATOM 0 H ARG A 588 4.420 -3.654 1.301 1.00 0.00 H new ATOM 0 HA ARG A 588 3.108 -1.135 2.220 1.00 0.00 H new ATOM 0 HB2 ARG A 588 5.596 -1.536 2.820 1.00 0.00 H new ATOM 0 HB3 ARG A 588 5.903 -1.452 1.096 1.00 0.00 H new ATOM 0 HG2 ARG A 588 5.172 0.860 0.991 1.00 0.00 H new ATOM 0 HG3 ARG A 588 4.537 0.801 2.624 1.00 0.00 H new ATOM 0 HD2 ARG A 588 6.883 0.230 3.448 1.00 0.00 H new ATOM 0 HD3 ARG A 588 7.470 0.474 1.815 1.00 0.00 H new ATOM 0 HE ARG A 588 6.018 2.802 2.546 1.00 0.00 H new ATOM 0 HH11 ARG A 588 9.105 1.243 3.264 1.00 0.00 H new ATOM 0 HH12 ARG A 588 9.794 2.743 3.895 1.00 0.00 H new ATOM 0 HH21 ARG A 588 6.925 4.606 3.483 1.00 0.00 H new ATOM 0 HH22 ARG A 588 8.609 4.567 4.014 1.00 0.00 H new ATOM 376 N GLY A 589 2.729 -0.325 -0.103 1.00 0.00 N ATOM 377 CA GLY A 589 2.313 0.075 -1.447 1.00 0.00 C ATOM 378 C GLY A 589 2.538 1.573 -1.660 1.00 0.00 C ATOM 379 O GLY A 589 2.186 2.377 -0.793 1.00 0.00 O ATOM 0 H GLY A 589 2.492 0.360 0.615 1.00 0.00 H new ATOM 0 HA2 GLY A 589 2.874 -0.491 -2.190 1.00 0.00 H new ATOM 0 HA3 GLY A 589 1.260 -0.164 -1.593 1.00 0.00 H new ATOM 383 N LEU A 590 3.161 1.941 -2.789 1.00 0.00 N ATOM 384 CA LEU A 590 3.503 3.328 -3.136 1.00 0.00 C ATOM 385 C LEU A 590 2.819 3.786 -4.427 1.00 0.00 C ATOM 386 O LEU A 590 3.027 3.186 -5.481 1.00 0.00 O ATOM 387 CB LEU A 590 5.029 3.502 -3.263 1.00 0.00 C ATOM 388 CG LEU A 590 5.831 3.326 -1.964 1.00 0.00 C ATOM 389 CD1 LEU A 590 7.291 3.715 -2.206 1.00 0.00 C ATOM 390 CD2 LEU A 590 5.275 4.189 -0.834 1.00 0.00 C ATOM 0 H LEU A 590 3.447 1.269 -3.501 1.00 0.00 H new ATOM 0 HA LEU A 590 3.137 3.955 -2.323 1.00 0.00 H new ATOM 0 HB2 LEU A 590 5.398 2.785 -3.996 1.00 0.00 H new ATOM 0 HB3 LEU A 590 5.231 4.497 -3.661 1.00 0.00 H new ATOM 0 HG LEU A 590 5.755 2.279 -1.669 1.00 0.00 H new ATOM 0 HD11 LEU A 590 7.859 3.590 -1.284 1.00 0.00 H new ATOM 0 HD12 LEU A 590 7.714 3.077 -2.982 1.00 0.00 H new ATOM 0 HD13 LEU A 590 7.342 4.756 -2.525 1.00 0.00 H new ATOM 0 HD21 LEU A 590 5.869 4.036 0.067 1.00 0.00 H new ATOM 0 HD22 LEU A 590 5.318 5.239 -1.123 1.00 0.00 H new ATOM 0 HD23 LEU A 590 4.240 3.909 -0.638 1.00 0.00 H new ATOM 402 N CYS A 591 2.032 4.861 -4.364 1.00 0.00 N ATOM 403 CA CYS A 591 1.285 5.369 -5.516 1.00 0.00 C ATOM 404 C CYS A 591 2.210 5.780 -6.683 1.00 0.00 C ATOM 405 O CYS A 591 3.254 6.414 -6.487 1.00 0.00 O ATOM 406 CB CYS A 591 0.401 6.529 -5.059 1.00 0.00 C ATOM 407 SG CYS A 591 -0.763 6.926 -6.384 1.00 0.00 S ATOM 0 H CYS A 591 1.894 5.405 -3.512 1.00 0.00 H new ATOM 0 HA CYS A 591 0.658 4.568 -5.907 1.00 0.00 H new ATOM 0 HB2 CYS A 591 -0.138 6.259 -4.151 1.00 0.00 H new ATOM 0 HB3 CYS A 591 1.013 7.399 -4.820 1.00 0.00 H new ATOM 412 N SER A 592 1.807 5.427 -7.907 1.00 0.00 N ATOM 413 CA SER A 592 2.526 5.754 -9.147 1.00 0.00 C ATOM 414 C SER A 592 2.273 7.198 -9.624 1.00 0.00 C ATOM 415 O SER A 592 3.089 7.773 -10.353 1.00 0.00 O ATOM 416 CB SER A 592 2.135 4.732 -10.223 1.00 0.00 C ATOM 417 OG SER A 592 2.944 4.856 -11.382 1.00 0.00 O ATOM 0 H SER A 592 0.953 4.894 -8.070 1.00 0.00 H new ATOM 0 HA SER A 592 3.597 5.697 -8.950 1.00 0.00 H new ATOM 0 HB2 SER A 592 2.230 3.724 -9.819 1.00 0.00 H new ATOM 0 HB3 SER A 592 1.088 4.870 -10.493 1.00 0.00 H new ATOM 0 HG SER A 592 2.669 4.190 -12.046 1.00 0.00 H new ATOM 423 N ARG A 593 1.167 7.821 -9.190 1.00 0.00 N ATOM 424 CA ARG A 593 0.777 9.191 -9.551 1.00 0.00 C ATOM 425 C ARG A 593 1.590 10.214 -8.752 1.00 0.00 C ATOM 426 O ARG A 593 1.483 10.277 -7.528 1.00 0.00 O ATOM 427 CB ARG A 593 -0.743 9.314 -9.346 1.00 0.00 C ATOM 428 CG ARG A 593 -1.289 10.724 -9.589 1.00 0.00 C ATOM 429 CD ARG A 593 -2.820 10.701 -9.526 1.00 0.00 C ATOM 430 NE ARG A 593 -3.403 12.029 -9.794 1.00 0.00 N ATOM 431 CZ ARG A 593 -4.631 12.415 -9.493 1.00 0.00 C ATOM 432 NH1 ARG A 593 -5.464 11.630 -8.870 1.00 0.00 N ATOM 433 NH2 ARG A 593 -5.050 13.604 -9.817 1.00 0.00 N ATOM 0 H ARG A 593 0.501 7.373 -8.561 1.00 0.00 H new ATOM 0 HA ARG A 593 0.999 9.405 -10.596 1.00 0.00 H new ATOM 0 HB2 ARG A 593 -1.248 8.619 -10.017 1.00 0.00 H new ATOM 0 HB3 ARG A 593 -0.988 9.010 -8.328 1.00 0.00 H new ATOM 0 HG2 ARG A 593 -0.895 11.411 -8.841 1.00 0.00 H new ATOM 0 HG3 ARG A 593 -0.961 11.089 -10.562 1.00 0.00 H new ATOM 0 HD2 ARG A 593 -3.202 9.984 -10.252 1.00 0.00 H new ATOM 0 HD3 ARG A 593 -3.137 10.357 -8.541 1.00 0.00 H new ATOM 0 HE ARG A 593 -2.803 12.713 -10.254 1.00 0.00 H new ATOM 0 HH11 ARG A 593 -5.175 10.690 -8.601 1.00 0.00 H new ATOM 0 HH12 ARG A 593 -6.405 11.956 -8.651 1.00 0.00 H new ATOM 0 HH21 ARG A 593 -4.429 14.247 -10.308 1.00 0.00 H new ATOM 0 HH22 ARG A 593 -5.999 13.892 -9.580 1.00 0.00 H new ATOM 447 N LEU A 594 2.365 11.056 -9.440 1.00 0.00 N ATOM 448 CA LEU A 594 3.290 12.016 -8.811 1.00 0.00 C ATOM 449 C LEU A 594 2.577 13.144 -8.038 1.00 0.00 C ATOM 450 O LEU A 594 3.124 13.670 -7.067 1.00 0.00 O ATOM 451 CB LEU A 594 4.233 12.598 -9.884 1.00 0.00 C ATOM 452 CG LEU A 594 5.119 11.570 -10.619 1.00 0.00 C ATOM 453 CD1 LEU A 594 5.990 12.290 -11.649 1.00 0.00 C ATOM 454 CD2 LEU A 594 6.041 10.797 -9.673 1.00 0.00 C ATOM 0 H LEU A 594 2.372 11.095 -10.459 1.00 0.00 H new ATOM 0 HA LEU A 594 3.865 11.467 -8.065 1.00 0.00 H new ATOM 0 HB2 LEU A 594 3.631 13.127 -10.623 1.00 0.00 H new ATOM 0 HB3 LEU A 594 4.880 13.337 -9.412 1.00 0.00 H new ATOM 0 HG LEU A 594 4.445 10.857 -11.094 1.00 0.00 H new ATOM 0 HD11 LEU A 594 6.616 11.564 -12.168 1.00 0.00 H new ATOM 0 HD12 LEU A 594 5.353 12.801 -12.371 1.00 0.00 H new ATOM 0 HD13 LEU A 594 6.623 13.019 -11.144 1.00 0.00 H new ATOM 0 HD21 LEU A 594 6.640 10.089 -10.246 1.00 0.00 H new ATOM 0 HD22 LEU A 594 6.700 11.495 -9.156 1.00 0.00 H new ATOM 0 HD23 LEU A 594 5.441 10.256 -8.942 1.00 0.00 H new ATOM 466 N ALA A 595 1.341 13.483 -8.425 1.00 0.00 N ATOM 467 CA ALA A 595 0.481 14.434 -7.711 1.00 0.00 C ATOM 468 C ALA A 595 -0.129 13.866 -6.405 1.00 0.00 C ATOM 469 O ALA A 595 -0.633 14.628 -5.576 1.00 0.00 O ATOM 470 CB ALA A 595 -0.614 14.892 -8.684 1.00 0.00 C ATOM 0 H ALA A 595 0.902 13.096 -9.260 1.00 0.00 H new ATOM 0 HA ALA A 595 1.093 15.275 -7.385 1.00 0.00 H new ATOM 0 HB1 ALA A 595 -1.272 15.602 -8.183 1.00 0.00 H new ATOM 0 HB2 ALA A 595 -0.155 15.371 -9.549 1.00 0.00 H new ATOM 0 HB3 ALA A 595 -1.193 14.029 -9.012 1.00 0.00 H new ATOM 476 N CYS A 596 -0.087 12.539 -6.228 1.00 0.00 N ATOM 477 CA CYS A 596 -0.660 11.789 -5.109 1.00 0.00 C ATOM 478 C CYS A 596 0.443 11.304 -4.144 1.00 0.00 C ATOM 479 O CYS A 596 0.511 11.753 -2.996 1.00 0.00 O ATOM 480 CB CYS A 596 -1.475 10.661 -5.749 1.00 0.00 C ATOM 481 SG CYS A 596 -2.280 9.560 -4.537 1.00 0.00 S ATOM 0 H CYS A 596 0.375 11.928 -6.902 1.00 0.00 H new ATOM 0 HA CYS A 596 -1.309 12.398 -4.479 1.00 0.00 H new ATOM 0 HB2 CYS A 596 -2.238 11.097 -6.394 1.00 0.00 H new ATOM 0 HB3 CYS A 596 -0.820 10.068 -6.387 1.00 0.00 H new ATOM 486 N GLY A 597 1.355 10.458 -4.643 1.00 0.00 N ATOM 487 CA GLY A 597 2.594 10.044 -3.967 1.00 0.00 C ATOM 488 C GLY A 597 2.382 9.473 -2.556 1.00 0.00 C ATOM 489 O GLY A 597 3.035 9.915 -1.608 1.00 0.00 O ATOM 0 H GLY A 597 1.247 10.027 -5.561 1.00 0.00 H new ATOM 0 HA2 GLY A 597 3.095 9.294 -4.579 1.00 0.00 H new ATOM 0 HA3 GLY A 597 3.263 10.902 -3.903 1.00 0.00 H new ATOM 493 N PHE A 598 1.441 8.535 -2.404 1.00 0.00 N ATOM 494 CA PHE A 598 0.961 8.038 -1.115 1.00 0.00 C ATOM 495 C PHE A 598 1.647 6.729 -0.710 1.00 0.00 C ATOM 496 O PHE A 598 2.100 5.966 -1.563 1.00 0.00 O ATOM 497 CB PHE A 598 -0.574 7.926 -1.123 1.00 0.00 C ATOM 498 CG PHE A 598 -1.164 7.698 0.261 1.00 0.00 C ATOM 499 CD1 PHE A 598 -0.935 8.625 1.302 1.00 0.00 C ATOM 500 CD2 PHE A 598 -1.924 6.546 0.525 1.00 0.00 C ATOM 501 CE1 PHE A 598 -1.480 8.411 2.584 1.00 0.00 C ATOM 502 CE2 PHE A 598 -2.481 6.346 1.802 1.00 0.00 C ATOM 503 CZ PHE A 598 -2.281 7.280 2.824 1.00 0.00 C ATOM 0 H PHE A 598 0.981 8.090 -3.198 1.00 0.00 H new ATOM 0 HA PHE A 598 1.234 8.762 -0.348 1.00 0.00 H new ATOM 0 HB2 PHE A 598 -0.996 8.838 -1.546 1.00 0.00 H new ATOM 0 HB3 PHE A 598 -0.869 7.105 -1.777 1.00 0.00 H new ATOM 0 HD1 PHE A 598 -0.337 9.505 1.114 1.00 0.00 H new ATOM 0 HD2 PHE A 598 -2.081 5.813 -0.253 1.00 0.00 H new ATOM 0 HE1 PHE A 598 -1.283 9.114 3.380 1.00 0.00 H new ATOM 0 HE2 PHE A 598 -3.070 5.461 1.995 1.00 0.00 H new ATOM 0 HZ PHE A 598 -2.739 7.134 3.791 1.00 0.00 H new ATOM 513 N ASP A 599 1.719 6.482 0.599 1.00 0.00 N ATOM 514 CA ASP A 599 2.455 5.383 1.223 1.00 0.00 C ATOM 515 C ASP A 599 1.552 4.650 2.222 1.00 0.00 C ATOM 516 O ASP A 599 1.241 5.181 3.294 1.00 0.00 O ATOM 517 CB ASP A 599 3.710 5.976 1.883 1.00 0.00 C ATOM 518 CG ASP A 599 4.559 4.953 2.648 1.00 0.00 C ATOM 519 OD1 ASP A 599 4.493 3.738 2.363 1.00 0.00 O ATOM 520 OD2 ASP A 599 5.359 5.379 3.513 1.00 0.00 O ATOM 0 H ASP A 599 1.244 7.070 1.284 1.00 0.00 H new ATOM 0 HA ASP A 599 2.765 4.641 0.487 1.00 0.00 H new ATOM 0 HB2 ASP A 599 4.327 6.441 1.114 1.00 0.00 H new ATOM 0 HB3 ASP A 599 3.407 6.767 2.570 1.00 0.00 H new ATOM 525 N PHE A 600 1.101 3.447 1.855 1.00 0.00 N ATOM 526 CA PHE A 600 0.053 2.723 2.576 1.00 0.00 C ATOM 527 C PHE A 600 0.402 1.280 2.961 1.00 0.00 C ATOM 528 O PHE A 600 1.223 0.608 2.329 1.00 0.00 O ATOM 529 CB PHE A 600 -1.256 2.798 1.784 1.00 0.00 C ATOM 530 CG PHE A 600 -1.269 2.108 0.435 1.00 0.00 C ATOM 531 CD1 PHE A 600 -0.911 2.816 -0.727 1.00 0.00 C ATOM 532 CD2 PHE A 600 -1.711 0.775 0.332 1.00 0.00 C ATOM 533 CE1 PHE A 600 -1.013 2.199 -1.986 1.00 0.00 C ATOM 534 CE2 PHE A 600 -1.814 0.158 -0.926 1.00 0.00 C ATOM 535 CZ PHE A 600 -1.473 0.873 -2.088 1.00 0.00 C ATOM 0 H PHE A 600 1.457 2.945 1.042 1.00 0.00 H new ATOM 0 HA PHE A 600 -0.060 3.226 3.536 1.00 0.00 H new ATOM 0 HB2 PHE A 600 -2.050 2.368 2.395 1.00 0.00 H new ATOM 0 HB3 PHE A 600 -1.504 3.849 1.633 1.00 0.00 H new ATOM 0 HD1 PHE A 600 -0.558 3.834 -0.652 1.00 0.00 H new ATOM 0 HD2 PHE A 600 -1.972 0.225 1.224 1.00 0.00 H new ATOM 0 HE1 PHE A 600 -0.738 2.744 -2.877 1.00 0.00 H new ATOM 0 HE2 PHE A 600 -2.155 -0.864 -1.001 1.00 0.00 H new ATOM 0 HZ PHE A 600 -1.564 0.405 -3.057 1.00 0.00 H new ATOM 545 N CYS A 601 -0.279 0.815 4.010 1.00 0.00 N ATOM 546 CA CYS A 601 -0.313 -0.566 4.468 1.00 0.00 C ATOM 547 C CYS A 601 -1.237 -1.399 3.566 1.00 0.00 C ATOM 548 O CYS A 601 -2.415 -1.070 3.382 1.00 0.00 O ATOM 549 CB CYS A 601 -0.808 -0.538 5.914 1.00 0.00 C ATOM 550 SG CYS A 601 -1.005 -2.236 6.570 1.00 0.00 S ATOM 0 H CYS A 601 -0.851 1.429 4.591 1.00 0.00 H new ATOM 0 HA CYS A 601 0.672 -1.030 4.420 1.00 0.00 H new ATOM 0 HB2 CYS A 601 -0.103 0.016 6.533 1.00 0.00 H new ATOM 0 HB3 CYS A 601 -1.761 -0.011 5.966 1.00 0.00 H new ATOM 555 N VAL A 602 -0.720 -2.492 3.005 1.00 0.00 N ATOM 556 CA VAL A 602 -1.454 -3.322 2.028 1.00 0.00 C ATOM 557 C VAL A 602 -2.478 -4.271 2.668 1.00 0.00 C ATOM 558 O VAL A 602 -3.245 -4.910 1.944 1.00 0.00 O ATOM 559 CB VAL A 602 -0.497 -4.071 1.084 1.00 0.00 C ATOM 560 CG1 VAL A 602 0.424 -3.082 0.359 1.00 0.00 C ATOM 561 CG2 VAL A 602 0.325 -5.139 1.811 1.00 0.00 C ATOM 0 H VAL A 602 0.219 -2.834 3.210 1.00 0.00 H new ATOM 0 HA VAL A 602 -2.037 -2.622 1.429 1.00 0.00 H new ATOM 0 HB VAL A 602 -1.113 -4.590 0.349 1.00 0.00 H new ATOM 0 HG11 VAL A 602 1.094 -3.628 -0.305 1.00 0.00 H new ATOM 0 HG12 VAL A 602 -0.178 -2.386 -0.226 1.00 0.00 H new ATOM 0 HG13 VAL A 602 1.011 -2.528 1.091 1.00 0.00 H new ATOM 0 HG21 VAL A 602 0.984 -5.638 1.100 1.00 0.00 H new ATOM 0 HG22 VAL A 602 0.923 -4.669 2.592 1.00 0.00 H new ATOM 0 HG23 VAL A 602 -0.346 -5.872 2.260 1.00 0.00 H new ATOM 571 N LEU A 603 -2.519 -4.359 4.004 1.00 0.00 N ATOM 572 CA LEU A 603 -3.496 -5.167 4.747 1.00 0.00 C ATOM 573 C LEU A 603 -4.760 -4.382 5.152 1.00 0.00 C ATOM 574 O LEU A 603 -5.853 -4.954 5.119 1.00 0.00 O ATOM 575 CB LEU A 603 -2.837 -5.770 5.998 1.00 0.00 C ATOM 576 CG LEU A 603 -1.729 -6.812 5.762 1.00 0.00 C ATOM 577 CD1 LEU A 603 -1.311 -7.386 7.118 1.00 0.00 C ATOM 578 CD2 LEU A 603 -2.177 -7.978 4.875 1.00 0.00 C ATOM 0 H LEU A 603 -1.864 -3.863 4.609 1.00 0.00 H new ATOM 0 HA LEU A 603 -3.821 -5.957 4.070 1.00 0.00 H new ATOM 0 HB2 LEU A 603 -2.417 -4.955 6.588 1.00 0.00 H new ATOM 0 HB3 LEU A 603 -3.616 -6.233 6.603 1.00 0.00 H new ATOM 0 HG LEU A 603 -0.910 -6.304 5.252 1.00 0.00 H new ATOM 0 HD11 LEU A 603 -0.525 -8.128 6.973 1.00 0.00 H new ATOM 0 HD12 LEU A 603 -0.939 -6.583 7.754 1.00 0.00 H new ATOM 0 HD13 LEU A 603 -2.171 -7.857 7.594 1.00 0.00 H new ATOM 0 HD21 LEU A 603 -1.350 -8.677 4.748 1.00 0.00 H new ATOM 0 HD22 LEU A 603 -3.016 -8.491 5.345 1.00 0.00 H new ATOM 0 HD23 LEU A 603 -2.484 -7.597 3.901 1.00 0.00 H new ATOM 590 N CYS A 604 -4.626 -3.099 5.525 1.00 0.00 N ATOM 591 CA CYS A 604 -5.723 -2.259 6.042 1.00 0.00 C ATOM 592 C CYS A 604 -6.008 -0.966 5.242 1.00 0.00 C ATOM 593 O CYS A 604 -6.967 -0.249 5.542 1.00 0.00 O ATOM 594 CB CYS A 604 -5.536 -2.013 7.549 1.00 0.00 C ATOM 595 SG CYS A 604 -4.049 -1.062 7.979 1.00 0.00 S ATOM 0 H CYS A 604 -3.735 -2.605 5.475 1.00 0.00 H new ATOM 0 HA CYS A 604 -6.638 -2.832 5.891 1.00 0.00 H new ATOM 0 HB2 CYS A 604 -6.411 -1.486 7.930 1.00 0.00 H new ATOM 0 HB3 CYS A 604 -5.496 -2.975 8.059 1.00 0.00 H new ATOM 600 N LEU A 605 -5.222 -0.701 4.191 1.00 0.00 N ATOM 601 CA LEU A 605 -5.379 0.423 3.250 1.00 0.00 C ATOM 602 C LEU A 605 -5.392 1.815 3.921 1.00 0.00 C ATOM 603 O LEU A 605 -5.998 2.765 3.419 1.00 0.00 O ATOM 604 CB LEU A 605 -6.561 0.154 2.290 1.00 0.00 C ATOM 605 CG LEU A 605 -6.327 -0.988 1.283 1.00 0.00 C ATOM 606 CD1 LEU A 605 -7.605 -1.230 0.478 1.00 0.00 C ATOM 607 CD2 LEU A 605 -5.206 -0.658 0.292 1.00 0.00 C ATOM 0 H LEU A 605 -4.422 -1.289 3.960 1.00 0.00 H new ATOM 0 HA LEU A 605 -4.478 0.471 2.639 1.00 0.00 H new ATOM 0 HB2 LEU A 605 -7.446 -0.078 2.882 1.00 0.00 H new ATOM 0 HB3 LEU A 605 -6.778 1.068 1.738 1.00 0.00 H new ATOM 0 HG LEU A 605 -6.044 -1.870 1.857 1.00 0.00 H new ATOM 0 HD11 LEU A 605 -7.439 -2.038 -0.234 1.00 0.00 H new ATOM 0 HD12 LEU A 605 -8.415 -1.503 1.154 1.00 0.00 H new ATOM 0 HD13 LEU A 605 -7.873 -0.321 -0.061 1.00 0.00 H new ATOM 0 HD21 LEU A 605 -5.075 -1.490 -0.399 1.00 0.00 H new ATOM 0 HD22 LEU A 605 -5.467 0.240 -0.267 1.00 0.00 H new ATOM 0 HD23 LEU A 605 -4.277 -0.489 0.837 1.00 0.00 H new ATOM 619 N CYS A 606 -4.682 1.943 5.043 1.00 0.00 N ATOM 620 CA CYS A 606 -4.407 3.206 5.733 1.00 0.00 C ATOM 621 C CYS A 606 -2.940 3.618 5.527 1.00 0.00 C ATOM 622 O CYS A 606 -2.142 2.847 4.986 1.00 0.00 O ATOM 623 CB CYS A 606 -4.767 3.054 7.220 1.00 0.00 C ATOM 624 SG CYS A 606 -6.542 2.700 7.413 1.00 0.00 S ATOM 0 H CYS A 606 -4.267 1.140 5.515 1.00 0.00 H new ATOM 0 HA CYS A 606 -5.020 4.004 5.316 1.00 0.00 H new ATOM 0 HB2 CYS A 606 -4.179 2.249 7.662 1.00 0.00 H new ATOM 0 HB3 CYS A 606 -4.512 3.967 7.757 1.00 0.00 H new ATOM 0 HG CYS A 606 -6.842 1.618 6.758 1.00 0.00 H new ATOM 630 N ALA A 607 -2.568 4.822 5.972 1.00 0.00 N ATOM 631 CA ALA A 607 -1.182 5.293 5.929 1.00 0.00 C ATOM 632 C ALA A 607 -0.233 4.279 6.604 1.00 0.00 C ATOM 633 O ALA A 607 -0.539 3.739 7.672 1.00 0.00 O ATOM 634 CB ALA A 607 -1.096 6.676 6.584 1.00 0.00 C ATOM 0 H ALA A 607 -3.220 5.497 6.372 1.00 0.00 H new ATOM 0 HA ALA A 607 -0.862 5.381 4.891 1.00 0.00 H new ATOM 0 HB1 ALA A 607 -0.065 7.030 6.554 1.00 0.00 H new ATOM 0 HB2 ALA A 607 -1.735 7.375 6.044 1.00 0.00 H new ATOM 0 HB3 ALA A 607 -1.426 6.609 7.621 1.00 0.00 H new ATOM 640 N TYR A 608 0.900 3.995 5.957 1.00 0.00 N ATOM 641 CA TYR A 608 1.808 2.909 6.334 1.00 0.00 C ATOM 642 C TYR A 608 2.306 3.018 7.783 1.00 0.00 C ATOM 643 O TYR A 608 2.775 4.076 8.215 1.00 0.00 O ATOM 644 CB TYR A 608 2.978 2.887 5.351 1.00 0.00 C ATOM 645 CG TYR A 608 3.965 1.761 5.572 1.00 0.00 C ATOM 646 CD1 TYR A 608 3.612 0.444 5.216 1.00 0.00 C ATOM 647 CD2 TYR A 608 5.253 2.036 6.073 1.00 0.00 C ATOM 648 CE1 TYR A 608 4.573 -0.580 5.275 1.00 0.00 C ATOM 649 CE2 TYR A 608 6.215 1.011 6.140 1.00 0.00 C ATOM 650 CZ TYR A 608 5.887 -0.288 5.697 1.00 0.00 C ATOM 651 OH TYR A 608 6.866 -1.215 5.545 1.00 0.00 O ATOM 0 H TYR A 608 1.217 4.522 5.143 1.00 0.00 H new ATOM 0 HA TYR A 608 1.255 1.971 6.284 1.00 0.00 H new ATOM 0 HB2 TYR A 608 2.583 2.813 4.338 1.00 0.00 H new ATOM 0 HB3 TYR A 608 3.509 3.837 5.417 1.00 0.00 H new ATOM 0 HD1 TYR A 608 2.604 0.222 4.898 1.00 0.00 H new ATOM 0 HD2 TYR A 608 5.502 3.033 6.405 1.00 0.00 H new ATOM 0 HE1 TYR A 608 4.306 -1.589 4.998 1.00 0.00 H new ATOM 0 HE2 TYR A 608 7.201 1.218 6.529 1.00 0.00 H new ATOM 0 HH TYR A 608 6.489 -2.027 5.146 1.00 0.00 H new ATOM 661 N HIS A 609 2.213 1.909 8.525 1.00 0.00 N ATOM 662 CA HIS A 609 2.497 1.841 9.966 1.00 0.00 C ATOM 663 C HIS A 609 3.624 0.856 10.345 1.00 0.00 C ATOM 664 O HIS A 609 3.759 0.468 11.508 1.00 0.00 O ATOM 665 CB HIS A 609 1.180 1.649 10.739 1.00 0.00 C ATOM 666 CG HIS A 609 0.423 0.386 10.406 1.00 0.00 C ATOM 667 ND1 HIS A 609 0.759 -0.887 10.799 1.00 0.00 N ATOM 668 CD2 HIS A 609 -0.751 0.293 9.707 1.00 0.00 C ATOM 669 CE1 HIS A 609 -0.186 -1.728 10.365 1.00 0.00 C ATOM 670 NE2 HIS A 609 -1.137 -1.063 9.668 1.00 0.00 N ATOM 0 H HIS A 609 1.931 1.011 8.132 1.00 0.00 H new ATOM 0 HA HIS A 609 2.922 2.796 10.276 1.00 0.00 H new ATOM 0 HB2 HIS A 609 1.399 1.652 11.807 1.00 0.00 H new ATOM 0 HB3 HIS A 609 0.533 2.504 10.543 1.00 0.00 H new ATOM 0 HD1 HIS A 609 1.589 -1.147 11.332 1.00 0.00 H new ATOM 0 HD2 HIS A 609 -1.289 1.117 9.262 1.00 0.00 H new ATOM 0 HE1 HIS A 609 -0.190 -2.793 10.546 1.00 0.00 H new ATOM 678 N GLY A 610 4.455 0.468 9.371 1.00 0.00 N ATOM 679 CA GLY A 610 5.700 -0.283 9.578 1.00 0.00 C ATOM 680 C GLY A 610 5.538 -1.564 10.407 1.00 0.00 C ATOM 681 O GLY A 610 4.831 -2.493 10.008 1.00 0.00 O ATOM 0 H GLY A 610 4.275 0.673 8.388 1.00 0.00 H new ATOM 0 HA2 GLY A 610 6.118 -0.544 8.606 1.00 0.00 H new ATOM 0 HA3 GLY A 610 6.423 0.366 10.072 1.00 0.00 H new ATOM 685 N SER A 611 6.206 -1.607 11.564 1.00 0.00 N ATOM 686 CA SER A 611 6.245 -2.774 12.471 1.00 0.00 C ATOM 687 C SER A 611 5.023 -2.905 13.399 1.00 0.00 C ATOM 688 O SER A 611 4.902 -3.911 14.103 1.00 0.00 O ATOM 689 CB SER A 611 7.524 -2.731 13.319 1.00 0.00 C ATOM 690 OG SER A 611 8.680 -2.652 12.494 1.00 0.00 O ATOM 0 H SER A 611 6.749 -0.816 11.910 1.00 0.00 H new ATOM 0 HA SER A 611 6.229 -3.650 11.823 1.00 0.00 H new ATOM 0 HB2 SER A 611 7.492 -1.872 13.989 1.00 0.00 H new ATOM 0 HB3 SER A 611 7.580 -3.622 13.945 1.00 0.00 H new ATOM 0 HG SER A 611 9.482 -2.624 13.056 1.00 0.00 H new ATOM 696 N GLU A 612 4.110 -1.927 13.429 1.00 0.00 N ATOM 697 CA GLU A 612 2.854 -2.022 14.193 1.00 0.00 C ATOM 698 C GLU A 612 1.851 -2.989 13.537 1.00 0.00 C ATOM 699 O GLU A 612 1.844 -3.162 12.317 1.00 0.00 O ATOM 700 CB GLU A 612 2.190 -0.643 14.354 1.00 0.00 C ATOM 701 CG GLU A 612 3.021 0.351 15.175 1.00 0.00 C ATOM 702 CD GLU A 612 2.271 1.687 15.354 1.00 0.00 C ATOM 703 OE1 GLU A 612 1.150 1.683 15.922 1.00 0.00 O ATOM 704 OE2 GLU A 612 2.802 2.750 14.951 1.00 0.00 O ATOM 0 H GLU A 612 4.218 -1.047 12.926 1.00 0.00 H new ATOM 0 HA GLU A 612 3.123 -2.411 15.175 1.00 0.00 H new ATOM 0 HB2 GLU A 612 2.007 -0.221 13.366 1.00 0.00 H new ATOM 0 HB3 GLU A 612 1.218 -0.771 14.831 1.00 0.00 H new ATOM 0 HG2 GLU A 612 3.245 -0.077 16.152 1.00 0.00 H new ATOM 0 HG3 GLU A 612 3.975 0.530 14.679 1.00 0.00 H new ATOM 711 N ASP A 613 0.960 -3.584 14.335 1.00 0.00 N ATOM 712 CA ASP A 613 -0.195 -4.345 13.837 1.00 0.00 C ATOM 713 C ASP A 613 -1.319 -3.405 13.357 1.00 0.00 C ATOM 714 O ASP A 613 -1.468 -2.287 13.865 1.00 0.00 O ATOM 715 CB ASP A 613 -0.715 -5.295 14.925 1.00 0.00 C ATOM 716 CG ASP A 613 0.301 -6.395 15.274 1.00 0.00 C ATOM 717 OD1 ASP A 613 0.469 -7.341 14.467 1.00 0.00 O ATOM 718 OD2 ASP A 613 0.916 -6.332 16.366 1.00 0.00 O ATOM 0 H ASP A 613 1.018 -3.552 15.353 1.00 0.00 H new ATOM 0 HA ASP A 613 0.133 -4.936 12.982 1.00 0.00 H new ATOM 0 HB2 ASP A 613 -0.950 -4.722 15.822 1.00 0.00 H new ATOM 0 HB3 ASP A 613 -1.644 -5.755 14.589 1.00 0.00 H new ATOM 723 N CYS A 614 -2.129 -3.858 12.393 1.00 0.00 N ATOM 724 CA CYS A 614 -3.274 -3.113 11.866 1.00 0.00 C ATOM 725 C CYS A 614 -4.360 -2.852 12.937 1.00 0.00 C ATOM 726 O CYS A 614 -4.525 -3.622 13.892 1.00 0.00 O ATOM 727 CB CYS A 614 -3.839 -3.860 10.648 1.00 0.00 C ATOM 728 SG CYS A 614 -2.593 -4.024 9.334 1.00 0.00 S ATOM 0 H CYS A 614 -2.003 -4.769 11.951 1.00 0.00 H new ATOM 0 HA CYS A 614 -2.931 -2.126 11.556 1.00 0.00 H new ATOM 0 HB2 CYS A 614 -4.181 -4.849 10.952 1.00 0.00 H new ATOM 0 HB3 CYS A 614 -4.708 -3.326 10.263 1.00 0.00 H new ATOM 733 N ARG A 615 -5.104 -1.751 12.764 1.00 0.00 N ATOM 734 CA ARG A 615 -6.041 -1.185 13.756 1.00 0.00 C ATOM 735 C ARG A 615 -7.469 -1.057 13.210 1.00 0.00 C ATOM 736 O ARG A 615 -7.673 -0.898 12.003 1.00 0.00 O ATOM 737 CB ARG A 615 -5.502 0.169 14.261 1.00 0.00 C ATOM 738 CG ARG A 615 -4.103 0.052 14.892 1.00 0.00 C ATOM 739 CD ARG A 615 -3.627 1.397 15.457 1.00 0.00 C ATOM 740 NE ARG A 615 -2.294 1.287 16.087 1.00 0.00 N ATOM 741 CZ ARG A 615 -2.018 0.916 17.325 1.00 0.00 C ATOM 742 NH1 ARG A 615 -2.941 0.563 18.177 1.00 0.00 N ATOM 743 NH2 ARG A 615 -0.785 0.895 17.732 1.00 0.00 N ATOM 0 H ARG A 615 -5.072 -1.208 11.901 1.00 0.00 H new ATOM 0 HA ARG A 615 -6.104 -1.878 14.595 1.00 0.00 H new ATOM 0 HB2 ARG A 615 -5.464 0.873 13.430 1.00 0.00 H new ATOM 0 HB3 ARG A 615 -6.194 0.580 14.996 1.00 0.00 H new ATOM 0 HG2 ARG A 615 -4.123 -0.692 15.688 1.00 0.00 H new ATOM 0 HG3 ARG A 615 -3.393 -0.301 14.144 1.00 0.00 H new ATOM 0 HD2 ARG A 615 -3.591 2.135 14.656 1.00 0.00 H new ATOM 0 HD3 ARG A 615 -4.347 1.758 16.191 1.00 0.00 H new ATOM 0 HE ARG A 615 -1.496 1.525 15.498 1.00 0.00 H new ATOM 0 HH11 ARG A 615 -3.922 0.566 17.897 1.00 0.00 H new ATOM 0 HH12 ARG A 615 -2.682 0.284 19.123 1.00 0.00 H new ATOM 0 HH21 ARG A 615 -0.034 1.164 17.097 1.00 0.00 H new ATOM 0 HH22 ARG A 615 -0.568 0.609 18.687 1.00 0.00 H new ATOM 757 N ARG A 616 -8.463 -1.108 14.106 1.00 0.00 N ATOM 758 CA ARG A 616 -9.903 -1.008 13.789 1.00 0.00 C ATOM 759 C ARG A 616 -10.273 0.442 13.433 1.00 0.00 C ATOM 760 O ARG A 616 -9.978 1.359 14.205 1.00 0.00 O ATOM 761 CB ARG A 616 -10.707 -1.567 14.986 1.00 0.00 C ATOM 762 CG ARG A 616 -12.109 -2.118 14.669 1.00 0.00 C ATOM 763 CD ARG A 616 -13.141 -1.065 14.247 1.00 0.00 C ATOM 764 NE ARG A 616 -14.503 -1.631 14.220 1.00 0.00 N ATOM 765 CZ ARG A 616 -15.606 -1.008 13.838 1.00 0.00 C ATOM 766 NH1 ARG A 616 -15.607 0.220 13.407 1.00 0.00 N ATOM 767 NH2 ARG A 616 -16.753 -1.624 13.885 1.00 0.00 N ATOM 0 H ARG A 616 -8.287 -1.224 15.104 1.00 0.00 H new ATOM 0 HA ARG A 616 -10.151 -1.604 12.911 1.00 0.00 H new ATOM 0 HB2 ARG A 616 -10.123 -2.363 15.448 1.00 0.00 H new ATOM 0 HB3 ARG A 616 -10.810 -0.775 15.728 1.00 0.00 H new ATOM 0 HG2 ARG A 616 -12.021 -2.857 13.873 1.00 0.00 H new ATOM 0 HG3 ARG A 616 -12.485 -2.640 15.549 1.00 0.00 H new ATOM 0 HD2 ARG A 616 -13.108 -0.223 14.938 1.00 0.00 H new ATOM 0 HD3 ARG A 616 -12.886 -0.678 13.261 1.00 0.00 H new ATOM 0 HE ARG A 616 -14.605 -2.599 14.526 1.00 0.00 H new ATOM 0 HH11 ARG A 616 -14.733 0.742 13.353 1.00 0.00 H new ATOM 0 HH12 ARG A 616 -16.482 0.660 13.123 1.00 0.00 H new ATOM 0 HH21 ARG A 616 -16.801 -2.587 14.217 1.00 0.00 H new ATOM 0 HH22 ARG A 616 -17.603 -1.143 13.590 1.00 0.00 H new ATOM 781 N GLY A 617 -10.906 0.643 12.271 1.00 0.00 N ATOM 782 CA GLY A 617 -11.375 1.950 11.771 1.00 0.00 C ATOM 783 C GLY A 617 -12.458 2.596 12.640 1.00 0.00 C ATOM 784 O GLY A 617 -13.419 1.888 13.013 1.00 0.00 O ATOM 785 OXT GLY A 617 -12.350 3.811 12.917 1.00 0.00 O ATOM 0 H GLY A 617 -11.115 -0.121 11.629 1.00 0.00 H new ATOM 0 HA2 GLY A 617 -10.525 2.628 11.704 1.00 0.00 H new ATOM 0 HA3 GLY A 617 -11.762 1.823 10.760 1.00 0.00 H new TER 789 GLY A 617 HETATM 790 ZN ZN A 701 -2.622 7.637 -5.495 1.00 0.00 ZN HETATM 791 ZN ZN A 702 -2.192 -2.111 8.391 1.00 0.00 ZN