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 32:sc= 0.196 USER MOD Single : A 571 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 577 GLN : amide:sc= 1.02 K(o=1,f=0) USER MOD Single : A 578 SER OG : rot -170:sc= 0.154 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=-0.47) USER MOD Single : A 585 HIS : no HD1:sc= 0.218 K(o=0.22,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 68:sc= 0.00616 USER MOD Single : A 608 TYR OH : rot 0:sc= 0.602 USER MOD Single : A 611 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 566 -3.627 -10.658 -14.833 1.00 0.00 N ATOM 2 CA THR A 566 -3.258 -11.917 -15.524 1.00 0.00 C ATOM 3 C THR A 566 -2.548 -12.890 -14.589 1.00 0.00 C ATOM 4 O THR A 566 -3.095 -13.955 -14.302 1.00 0.00 O ATOM 5 CB THR A 566 -2.439 -11.647 -16.790 1.00 0.00 C ATOM 6 OG1 THR A 566 -3.148 -10.720 -17.582 1.00 0.00 O ATOM 7 CG2 THR A 566 -2.231 -12.898 -17.645 1.00 0.00 C ATOM 0 HA THR A 566 -4.186 -12.395 -15.836 1.00 0.00 H new ATOM 0 HB THR A 566 -1.463 -11.282 -16.471 1.00 0.00 H new ATOM 0 HG1 THR A 566 -3.653 -10.113 -17.002 1.00 0.00 H new ATOM 0 HG21 THR A 566 -1.644 -12.642 -18.527 1.00 0.00 H new ATOM 0 HG22 THR A 566 -1.702 -13.653 -17.063 1.00 0.00 H new ATOM 0 HG23 THR A 566 -3.199 -13.292 -17.955 1.00 0.00 H new ATOM 15 N ASP A 567 -1.346 -12.560 -14.099 1.00 0.00 N ATOM 16 CA ASP A 567 -0.519 -13.418 -13.223 1.00 0.00 C ATOM 17 C ASP A 567 0.281 -12.629 -12.155 1.00 0.00 C ATOM 18 O ASP A 567 1.064 -13.194 -11.390 1.00 0.00 O ATOM 19 CB ASP A 567 0.402 -14.270 -14.118 1.00 0.00 C ATOM 20 CG ASP A 567 1.094 -15.422 -13.364 1.00 0.00 C ATOM 21 OD1 ASP A 567 0.390 -16.255 -12.743 1.00 0.00 O ATOM 22 OD2 ASP A 567 2.343 -15.534 -13.439 1.00 0.00 O ATOM 0 H ASP A 567 -0.904 -11.664 -14.304 1.00 0.00 H new ATOM 0 HA ASP A 567 -1.183 -14.060 -12.644 1.00 0.00 H new ATOM 0 HB2 ASP A 567 -0.183 -14.683 -14.940 1.00 0.00 H new ATOM 0 HB3 ASP A 567 1.163 -13.627 -14.560 1.00 0.00 H new ATOM 27 N GLU A 568 0.081 -11.312 -12.092 1.00 0.00 N ATOM 28 CA GLU A 568 0.747 -10.354 -11.198 1.00 0.00 C ATOM 29 C GLU A 568 -0.180 -9.833 -10.076 1.00 0.00 C ATOM 30 O GLU A 568 -1.377 -10.136 -10.038 1.00 0.00 O ATOM 31 CB GLU A 568 1.366 -9.210 -12.033 1.00 0.00 C ATOM 32 CG GLU A 568 0.374 -8.328 -12.813 1.00 0.00 C ATOM 33 CD GLU A 568 -0.090 -8.972 -14.134 1.00 0.00 C ATOM 34 OE1 GLU A 568 -1.088 -9.736 -14.118 1.00 0.00 O ATOM 35 OE2 GLU A 568 0.536 -8.728 -15.192 1.00 0.00 O ATOM 0 H GLU A 568 -0.594 -10.852 -12.703 1.00 0.00 H new ATOM 0 HA GLU A 568 1.549 -10.877 -10.678 1.00 0.00 H new ATOM 0 HB2 GLU A 568 1.942 -8.570 -11.365 1.00 0.00 H new ATOM 0 HB3 GLU A 568 2.070 -9.645 -12.743 1.00 0.00 H new ATOM 0 HG2 GLU A 568 -0.496 -8.127 -12.187 1.00 0.00 H new ATOM 0 HG3 GLU A 568 0.841 -7.367 -13.028 1.00 0.00 H new ATOM 42 N ALA A 569 0.373 -9.027 -9.162 1.00 0.00 N ATOM 43 CA ALA A 569 -0.333 -8.358 -8.077 1.00 0.00 C ATOM 44 C ALA A 569 0.150 -6.907 -7.960 1.00 0.00 C ATOM 45 O ALA A 569 1.343 -6.651 -7.801 1.00 0.00 O ATOM 46 CB ALA A 569 -0.094 -9.106 -6.759 1.00 0.00 C ATOM 0 H ALA A 569 1.371 -8.818 -9.164 1.00 0.00 H new ATOM 0 HA ALA A 569 -1.402 -8.357 -8.290 1.00 0.00 H new ATOM 0 HB1 ALA A 569 -0.625 -8.600 -5.952 1.00 0.00 H new ATOM 0 HB2 ALA A 569 -0.460 -10.129 -6.849 1.00 0.00 H new ATOM 0 HB3 ALA A 569 0.973 -9.121 -6.538 1.00 0.00 H new ATOM 52 N LEU A 570 -0.801 -5.979 -8.022 1.00 0.00 N ATOM 53 CA LEU A 570 -0.674 -4.550 -7.729 1.00 0.00 C ATOM 54 C LEU A 570 -2.003 -4.057 -7.138 1.00 0.00 C ATOM 55 O LEU A 570 -3.072 -4.343 -7.685 1.00 0.00 O ATOM 56 CB LEU A 570 -0.314 -3.752 -8.998 1.00 0.00 C ATOM 57 CG LEU A 570 1.076 -4.058 -9.584 1.00 0.00 C ATOM 58 CD1 LEU A 570 1.249 -3.329 -10.903 1.00 0.00 C ATOM 59 CD2 LEU A 570 2.220 -3.599 -8.685 1.00 0.00 C ATOM 0 H LEU A 570 -1.752 -6.222 -8.299 1.00 0.00 H new ATOM 0 HA LEU A 570 0.133 -4.396 -7.012 1.00 0.00 H new ATOM 0 HB2 LEU A 570 -1.066 -3.953 -9.761 1.00 0.00 H new ATOM 0 HB3 LEU A 570 -0.369 -2.688 -8.768 1.00 0.00 H new ATOM 0 HG LEU A 570 1.119 -5.141 -9.695 1.00 0.00 H new ATOM 0 HD11 LEU A 570 2.234 -3.549 -11.314 1.00 0.00 H new ATOM 0 HD12 LEU A 570 0.482 -3.658 -11.604 1.00 0.00 H new ATOM 0 HD13 LEU A 570 1.155 -2.255 -10.740 1.00 0.00 H new ATOM 0 HD21 LEU A 570 3.173 -3.844 -9.155 1.00 0.00 H new ATOM 0 HD22 LEU A 570 2.155 -2.521 -8.536 1.00 0.00 H new ATOM 0 HD23 LEU A 570 2.150 -4.104 -7.721 1.00 0.00 H new ATOM 71 N LYS A 571 -1.942 -3.337 -6.013 1.00 0.00 N ATOM 72 CA LYS A 571 -3.120 -2.872 -5.258 1.00 0.00 C ATOM 73 C LYS A 571 -3.468 -1.405 -5.564 1.00 0.00 C ATOM 74 O LYS A 571 -2.569 -0.617 -5.868 1.00 0.00 O ATOM 75 CB LYS A 571 -2.923 -3.092 -3.748 1.00 0.00 C ATOM 76 CG LYS A 571 -2.762 -4.577 -3.384 1.00 0.00 C ATOM 77 CD LYS A 571 -2.653 -4.751 -1.864 1.00 0.00 C ATOM 78 CE LYS A 571 -2.511 -6.223 -1.448 1.00 0.00 C ATOM 79 NZ LYS A 571 -3.768 -6.996 -1.640 1.00 0.00 N ATOM 0 H LYS A 571 -1.058 -3.054 -5.590 1.00 0.00 H new ATOM 0 HA LYS A 571 -3.969 -3.472 -5.586 1.00 0.00 H new ATOM 0 HB2 LYS A 571 -2.042 -2.543 -3.416 1.00 0.00 H new ATOM 0 HB3 LYS A 571 -3.777 -2.680 -3.210 1.00 0.00 H new ATOM 0 HG2 LYS A 571 -3.614 -5.144 -3.760 1.00 0.00 H new ATOM 0 HG3 LYS A 571 -1.872 -4.981 -3.867 1.00 0.00 H new ATOM 0 HD2 LYS A 571 -1.794 -4.189 -1.498 1.00 0.00 H new ATOM 0 HD3 LYS A 571 -3.537 -4.326 -1.389 1.00 0.00 H new ATOM 0 HE2 LYS A 571 -1.712 -6.685 -2.028 1.00 0.00 H new ATOM 0 HE3 LYS A 571 -2.214 -6.274 -0.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 571 -3.618 -7.982 -1.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 571 -4.526 -6.574 -1.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 571 -4.040 -6.973 -2.644 1.00 0.00 H new ATOM 93 N PRO A 572 -4.750 -1.014 -5.459 1.00 0.00 N ATOM 94 CA PRO A 572 -5.179 0.371 -5.604 1.00 0.00 C ATOM 95 C PRO A 572 -4.747 1.224 -4.403 1.00 0.00 C ATOM 96 O PRO A 572 -4.902 0.829 -3.244 1.00 0.00 O ATOM 97 CB PRO A 572 -6.703 0.318 -5.735 1.00 0.00 C ATOM 98 CG PRO A 572 -7.086 -0.945 -4.959 1.00 0.00 C ATOM 99 CD PRO A 572 -5.886 -1.872 -5.157 1.00 0.00 C ATOM 0 HA PRO A 572 -4.720 0.840 -6.474 1.00 0.00 H new ATOM 0 HB2 PRO A 572 -7.173 1.206 -5.313 1.00 0.00 H new ATOM 0 HB3 PRO A 572 -7.014 0.258 -6.778 1.00 0.00 H new ATOM 0 HG2 PRO A 572 -7.256 -0.730 -3.904 1.00 0.00 H new ATOM 0 HG3 PRO A 572 -8.003 -1.389 -5.346 1.00 0.00 H new ATOM 0 HD2 PRO A 572 -5.699 -2.463 -4.260 1.00 0.00 H new ATOM 0 HD3 PRO A 572 -6.068 -2.575 -5.969 1.00 0.00 H new ATOM 107 N CYS A 573 -4.259 2.427 -4.694 1.00 0.00 N ATOM 108 CA CYS A 573 -3.966 3.478 -3.728 1.00 0.00 C ATOM 109 C CYS A 573 -5.216 3.864 -2.906 1.00 0.00 C ATOM 110 O CYS A 573 -6.276 4.140 -3.480 1.00 0.00 O ATOM 111 CB CYS A 573 -3.441 4.642 -4.564 1.00 0.00 C ATOM 112 SG CYS A 573 -3.176 6.190 -3.627 1.00 0.00 S ATOM 0 H CYS A 573 -4.048 2.706 -5.652 1.00 0.00 H new ATOM 0 HA CYS A 573 -3.236 3.159 -2.984 1.00 0.00 H new ATOM 0 HB2 CYS A 573 -2.499 4.346 -5.025 1.00 0.00 H new ATOM 0 HB3 CYS A 573 -4.144 4.838 -5.373 1.00 0.00 H new ATOM 117 N PRO A 574 -5.128 3.926 -1.567 1.00 0.00 N ATOM 118 CA PRO A 574 -6.248 4.273 -0.691 1.00 0.00 C ATOM 119 C PRO A 574 -6.689 5.748 -0.810 1.00 0.00 C ATOM 120 O PRO A 574 -7.751 6.102 -0.290 1.00 0.00 O ATOM 121 CB PRO A 574 -5.767 3.905 0.720 1.00 0.00 C ATOM 122 CG PRO A 574 -4.260 4.086 0.616 1.00 0.00 C ATOM 123 CD PRO A 574 -3.942 3.632 -0.792 1.00 0.00 C ATOM 0 HA PRO A 574 -7.151 3.728 -0.968 1.00 0.00 H new ATOM 0 HB2 PRO A 574 -6.202 4.556 1.479 1.00 0.00 H new ATOM 0 HB3 PRO A 574 -6.035 2.882 0.986 1.00 0.00 H new ATOM 0 HG2 PRO A 574 -3.969 5.124 0.778 1.00 0.00 H new ATOM 0 HG3 PRO A 574 -3.732 3.488 1.359 1.00 0.00 H new ATOM 0 HD2 PRO A 574 -3.073 4.158 -1.188 1.00 0.00 H new ATOM 0 HD3 PRO A 574 -3.709 2.568 -0.819 1.00 0.00 H new ATOM 131 N ARG A 575 -5.924 6.603 -1.511 1.00 0.00 N ATOM 132 CA ARG A 575 -6.296 7.995 -1.833 1.00 0.00 C ATOM 133 C ARG A 575 -6.958 8.157 -3.204 1.00 0.00 C ATOM 134 O ARG A 575 -8.012 8.791 -3.290 1.00 0.00 O ATOM 135 CB ARG A 575 -5.056 8.898 -1.792 1.00 0.00 C ATOM 136 CG ARG A 575 -4.614 9.316 -0.386 1.00 0.00 C ATOM 137 CD ARG A 575 -3.523 10.388 -0.517 1.00 0.00 C ATOM 138 NE ARG A 575 -3.202 11.021 0.774 1.00 0.00 N ATOM 139 CZ ARG A 575 -2.236 11.899 0.988 1.00 0.00 C ATOM 140 NH1 ARG A 575 -1.399 12.252 0.055 1.00 0.00 N ATOM 141 NH2 ARG A 575 -2.087 12.438 2.164 1.00 0.00 N ATOM 0 H ARG A 575 -5.009 6.341 -1.878 1.00 0.00 H new ATOM 0 HA ARG A 575 -7.026 8.284 -1.077 1.00 0.00 H new ATOM 0 HB2 ARG A 575 -4.230 8.380 -2.279 1.00 0.00 H new ATOM 0 HB3 ARG A 575 -5.258 9.796 -2.376 1.00 0.00 H new ATOM 0 HG2 ARG A 575 -5.462 9.705 0.178 1.00 0.00 H new ATOM 0 HG3 ARG A 575 -4.235 8.455 0.164 1.00 0.00 H new ATOM 0 HD2 ARG A 575 -2.622 9.937 -0.932 1.00 0.00 H new ATOM 0 HD3 ARG A 575 -3.850 11.152 -1.222 1.00 0.00 H new ATOM 0 HE ARG A 575 -3.776 10.759 1.575 1.00 0.00 H new ATOM 0 HH11 ARG A 575 -1.476 11.848 -0.878 1.00 0.00 H new ATOM 0 HH12 ARG A 575 -0.667 12.932 0.258 1.00 0.00 H new ATOM 0 HH21 ARG A 575 -2.717 12.184 2.925 1.00 0.00 H new ATOM 0 HH22 ARG A 575 -1.341 13.115 2.324 1.00 0.00 H new ATOM 155 N CYS A 576 -6.336 7.618 -4.260 1.00 0.00 N ATOM 156 CA CYS A 576 -6.691 7.897 -5.660 1.00 0.00 C ATOM 157 C CYS A 576 -6.968 6.652 -6.532 1.00 0.00 C ATOM 158 O CYS A 576 -7.312 6.779 -7.712 1.00 0.00 O ATOM 159 CB CYS A 576 -5.630 8.844 -6.245 1.00 0.00 C ATOM 160 SG CYS A 576 -4.074 7.987 -6.558 1.00 0.00 S ATOM 0 H CYS A 576 -5.559 6.965 -4.166 1.00 0.00 H new ATOM 0 HA CYS A 576 -7.664 8.388 -5.669 1.00 0.00 H new ATOM 0 HB2 CYS A 576 -6.001 9.277 -7.174 1.00 0.00 H new ATOM 0 HB3 CYS A 576 -5.459 9.670 -5.555 1.00 0.00 H new ATOM 165 N GLN A 577 -6.877 5.455 -5.942 1.00 0.00 N ATOM 166 CA GLN A 577 -7.229 4.152 -6.527 1.00 0.00 C ATOM 167 C GLN A 577 -6.418 3.726 -7.772 1.00 0.00 C ATOM 168 O GLN A 577 -6.739 2.709 -8.393 1.00 0.00 O ATOM 169 CB GLN A 577 -8.758 4.032 -6.720 1.00 0.00 C ATOM 170 CG GLN A 577 -9.603 4.217 -5.446 1.00 0.00 C ATOM 171 CD GLN A 577 -9.667 2.962 -4.576 1.00 0.00 C ATOM 172 OE1 GLN A 577 -10.569 2.141 -4.690 1.00 0.00 O ATOM 173 NE2 GLN A 577 -8.732 2.748 -3.676 1.00 0.00 N ATOM 0 H GLN A 577 -6.535 5.362 -4.985 1.00 0.00 H new ATOM 0 HA GLN A 577 -6.917 3.414 -5.788 1.00 0.00 H new ATOM 0 HB2 GLN A 577 -9.073 4.773 -7.455 1.00 0.00 H new ATOM 0 HB3 GLN A 577 -8.978 3.051 -7.142 1.00 0.00 H new ATOM 0 HG2 GLN A 577 -9.189 5.037 -4.859 1.00 0.00 H new ATOM 0 HG3 GLN A 577 -10.615 4.507 -5.728 1.00 0.00 H new ATOM 0 HE21 GLN A 577 -7.971 3.417 -3.562 1.00 0.00 H new ATOM 0 HE22 GLN A 577 -8.768 1.913 -3.092 1.00 0.00 H new ATOM 182 N SER A 578 -5.336 4.433 -8.116 1.00 0.00 N ATOM 183 CA SER A 578 -4.379 3.989 -9.145 1.00 0.00 C ATOM 184 C SER A 578 -3.528 2.809 -8.645 1.00 0.00 C ATOM 185 O SER A 578 -3.312 2.696 -7.434 1.00 0.00 O ATOM 186 CB SER A 578 -3.483 5.152 -9.587 1.00 0.00 C ATOM 187 OG SER A 578 -4.165 5.907 -10.576 1.00 0.00 O ATOM 0 H SER A 578 -5.096 5.329 -7.691 1.00 0.00 H new ATOM 0 HA SER A 578 -4.951 3.646 -10.007 1.00 0.00 H new ATOM 0 HB2 SER A 578 -3.237 5.784 -8.734 1.00 0.00 H new ATOM 0 HB3 SER A 578 -2.542 4.773 -9.985 1.00 0.00 H new ATOM 0 HG SER A 578 -3.548 6.553 -10.978 1.00 0.00 H new ATOM 193 N PRO A 579 -3.025 1.927 -9.533 1.00 0.00 N ATOM 194 CA PRO A 579 -2.163 0.810 -9.156 1.00 0.00 C ATOM 195 C PRO A 579 -0.839 1.326 -8.580 1.00 0.00 C ATOM 196 O PRO A 579 0.003 1.901 -9.276 1.00 0.00 O ATOM 197 CB PRO A 579 -1.966 -0.029 -10.423 1.00 0.00 C ATOM 198 CG PRO A 579 -2.150 0.996 -11.539 1.00 0.00 C ATOM 199 CD PRO A 579 -3.219 1.930 -10.974 1.00 0.00 C ATOM 0 HA PRO A 579 -2.607 0.197 -8.372 1.00 0.00 H new ATOM 0 HB2 PRO A 579 -0.978 -0.488 -10.454 1.00 0.00 H new ATOM 0 HB3 PRO A 579 -2.695 -0.836 -10.491 1.00 0.00 H new ATOM 0 HG2 PRO A 579 -1.223 1.527 -11.756 1.00 0.00 H new ATOM 0 HG3 PRO A 579 -2.474 0.527 -12.468 1.00 0.00 H new ATOM 0 HD2 PRO A 579 -3.114 2.936 -11.381 1.00 0.00 H new ATOM 0 HD3 PRO A 579 -4.219 1.583 -11.235 1.00 0.00 H new ATOM 207 N ALA A 580 -0.674 1.114 -7.282 1.00 0.00 N ATOM 208 CA ALA A 580 0.526 1.435 -6.521 1.00 0.00 C ATOM 209 C ALA A 580 1.597 0.342 -6.684 1.00 0.00 C ATOM 210 O ALA A 580 1.268 -0.839 -6.836 1.00 0.00 O ATOM 211 CB ALA A 580 0.103 1.626 -5.063 1.00 0.00 C ATOM 0 H ALA A 580 -1.404 0.696 -6.705 1.00 0.00 H new ATOM 0 HA ALA A 580 0.986 2.352 -6.890 1.00 0.00 H new ATOM 0 HB1 ALA A 580 0.977 1.869 -4.459 1.00 0.00 H new ATOM 0 HB2 ALA A 580 -0.620 2.439 -4.997 1.00 0.00 H new ATOM 0 HB3 ALA A 580 -0.350 0.707 -4.692 1.00 0.00 H new ATOM 217 N LYS A 581 2.881 0.717 -6.604 1.00 0.00 N ATOM 218 CA LYS A 581 4.021 -0.209 -6.582 1.00 0.00 C ATOM 219 C LYS A 581 3.928 -1.077 -5.329 1.00 0.00 C ATOM 220 O LYS A 581 4.129 -0.591 -4.213 1.00 0.00 O ATOM 221 CB LYS A 581 5.348 0.572 -6.638 1.00 0.00 C ATOM 222 CG LYS A 581 6.537 -0.361 -6.927 1.00 0.00 C ATOM 223 CD LYS A 581 7.884 0.376 -6.976 1.00 0.00 C ATOM 224 CE LYS A 581 7.974 1.350 -8.160 1.00 0.00 C ATOM 225 NZ LYS A 581 9.313 1.991 -8.242 1.00 0.00 N ATOM 0 H LYS A 581 3.162 1.696 -6.552 1.00 0.00 H new ATOM 0 HA LYS A 581 3.993 -0.857 -7.458 1.00 0.00 H new ATOM 0 HB2 LYS A 581 5.289 1.338 -7.411 1.00 0.00 H new ATOM 0 HB3 LYS A 581 5.509 1.087 -5.691 1.00 0.00 H new ATOM 0 HG2 LYS A 581 6.580 -1.133 -6.159 1.00 0.00 H new ATOM 0 HG3 LYS A 581 6.371 -0.866 -7.878 1.00 0.00 H new ATOM 0 HD2 LYS A 581 8.029 0.925 -6.045 1.00 0.00 H new ATOM 0 HD3 LYS A 581 8.692 -0.353 -7.046 1.00 0.00 H new ATOM 0 HE2 LYS A 581 7.769 0.816 -9.088 1.00 0.00 H new ATOM 0 HE3 LYS A 581 7.208 2.119 -8.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 581 9.337 2.642 -9.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 581 9.498 2.521 -7.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 581 10.041 1.259 -8.364 1.00 0.00 H new ATOM 239 N TYR A 582 3.576 -2.343 -5.520 1.00 0.00 N ATOM 240 CA TYR A 582 3.288 -3.281 -4.440 1.00 0.00 C ATOM 241 C TYR A 582 4.574 -3.926 -3.909 1.00 0.00 C ATOM 242 O TYR A 582 5.436 -4.347 -4.685 1.00 0.00 O ATOM 243 CB TYR A 582 2.297 -4.325 -4.966 1.00 0.00 C ATOM 244 CG TYR A 582 1.785 -5.347 -3.981 1.00 0.00 C ATOM 245 CD1 TYR A 582 1.489 -4.999 -2.652 1.00 0.00 C ATOM 246 CD2 TYR A 582 1.582 -6.663 -4.431 1.00 0.00 C ATOM 247 CE1 TYR A 582 1.037 -5.981 -1.754 1.00 0.00 C ATOM 248 CE2 TYR A 582 1.114 -7.646 -3.540 1.00 0.00 C ATOM 249 CZ TYR A 582 0.842 -7.308 -2.197 1.00 0.00 C ATOM 250 OH TYR A 582 0.379 -8.259 -1.340 1.00 0.00 O ATOM 0 H TYR A 582 3.481 -2.755 -6.448 1.00 0.00 H new ATOM 0 HA TYR A 582 2.842 -2.755 -3.596 1.00 0.00 H new ATOM 0 HB2 TYR A 582 1.439 -3.797 -5.382 1.00 0.00 H new ATOM 0 HB3 TYR A 582 2.773 -4.858 -5.789 1.00 0.00 H new ATOM 0 HD1 TYR A 582 1.609 -3.978 -2.321 1.00 0.00 H new ATOM 0 HD2 TYR A 582 1.785 -6.919 -5.460 1.00 0.00 H new ATOM 0 HE1 TYR A 582 0.839 -5.721 -0.725 1.00 0.00 H new ATOM 0 HE2 TYR A 582 0.963 -8.659 -3.884 1.00 0.00 H new ATOM 0 HH TYR A 582 0.303 -9.115 -1.811 1.00 0.00 H new ATOM 260 N GLN A 583 4.700 -4.002 -2.584 1.00 0.00 N ATOM 261 CA GLN A 583 5.884 -4.494 -1.877 1.00 0.00 C ATOM 262 C GLN A 583 5.466 -5.572 -0.851 1.00 0.00 C ATOM 263 O GLN A 583 5.480 -5.315 0.357 1.00 0.00 O ATOM 264 CB GLN A 583 6.628 -3.306 -1.229 1.00 0.00 C ATOM 265 CG GLN A 583 6.762 -2.038 -2.104 1.00 0.00 C ATOM 266 CD GLN A 583 7.708 -0.983 -1.529 1.00 0.00 C ATOM 267 OE1 GLN A 583 8.259 -1.089 -0.441 1.00 0.00 O ATOM 268 NE2 GLN A 583 7.932 0.095 -2.247 1.00 0.00 N ATOM 0 H GLN A 583 3.955 -3.713 -1.951 1.00 0.00 H new ATOM 0 HA GLN A 583 6.577 -4.967 -2.573 1.00 0.00 H new ATOM 0 HB2 GLN A 583 6.111 -3.036 -0.308 1.00 0.00 H new ATOM 0 HB3 GLN A 583 7.627 -3.638 -0.947 1.00 0.00 H new ATOM 0 HG2 GLN A 583 7.116 -2.328 -3.094 1.00 0.00 H new ATOM 0 HG3 GLN A 583 5.775 -1.594 -2.235 1.00 0.00 H new ATOM 0 HE21 GLN A 583 7.483 0.204 -3.157 1.00 0.00 H new ATOM 0 HE22 GLN A 583 8.554 0.822 -1.895 1.00 0.00 H new ATOM 277 N PRO A 584 5.050 -6.777 -1.291 1.00 0.00 N ATOM 278 CA PRO A 584 4.528 -7.831 -0.407 1.00 0.00 C ATOM 279 C PRO A 584 5.551 -8.324 0.631 1.00 0.00 C ATOM 280 O PRO A 584 5.176 -8.715 1.738 1.00 0.00 O ATOM 281 CB PRO A 584 4.090 -8.966 -1.342 1.00 0.00 C ATOM 282 CG PRO A 584 4.894 -8.738 -2.620 1.00 0.00 C ATOM 283 CD PRO A 584 5.031 -7.222 -2.677 1.00 0.00 C ATOM 0 HA PRO A 584 3.704 -7.445 0.194 1.00 0.00 H new ATOM 0 HB2 PRO A 584 4.303 -9.943 -0.908 1.00 0.00 H new ATOM 0 HB3 PRO A 584 3.018 -8.930 -1.535 1.00 0.00 H new ATOM 0 HG2 PRO A 584 5.866 -9.229 -2.578 1.00 0.00 H new ATOM 0 HG3 PRO A 584 4.377 -9.129 -3.496 1.00 0.00 H new ATOM 0 HD2 PRO A 584 5.945 -6.930 -3.195 1.00 0.00 H new ATOM 0 HD3 PRO A 584 4.200 -6.774 -3.221 1.00 0.00 H new ATOM 291 N HIS A 585 6.847 -8.241 0.314 1.00 0.00 N ATOM 292 CA HIS A 585 7.976 -8.538 1.209 1.00 0.00 C ATOM 293 C HIS A 585 8.168 -7.507 2.338 1.00 0.00 C ATOM 294 O HIS A 585 8.814 -7.812 3.342 1.00 0.00 O ATOM 295 CB HIS A 585 9.249 -8.665 0.357 1.00 0.00 C ATOM 296 CG HIS A 585 9.658 -7.414 -0.397 1.00 0.00 C ATOM 297 ND1 HIS A 585 8.810 -6.578 -1.135 1.00 0.00 N ATOM 298 CD2 HIS A 585 10.938 -6.962 -0.530 1.00 0.00 C ATOM 299 CE1 HIS A 585 9.603 -5.647 -1.693 1.00 0.00 C ATOM 300 NE2 HIS A 585 10.884 -5.852 -1.345 1.00 0.00 N ATOM 0 H HIS A 585 7.154 -7.952 -0.615 1.00 0.00 H new ATOM 0 HA HIS A 585 7.756 -9.475 1.720 1.00 0.00 H new ATOM 0 HB2 HIS A 585 10.072 -8.962 1.007 1.00 0.00 H new ATOM 0 HB3 HIS A 585 9.105 -9.471 -0.363 1.00 0.00 H new ATOM 0 HD2 HIS A 585 11.823 -7.391 -0.083 1.00 0.00 H new ATOM 0 HE1 HIS A 585 9.259 -4.847 -2.331 1.00 0.00 H new ATOM 0 HE2 HIS A 585 11.680 -5.284 -1.634 1.00 0.00 H new ATOM 308 N LYS A 586 7.587 -6.306 2.195 1.00 0.00 N ATOM 309 CA LYS A 586 7.602 -5.201 3.177 1.00 0.00 C ATOM 310 C LYS A 586 6.198 -4.807 3.673 1.00 0.00 C ATOM 311 O LYS A 586 6.070 -3.848 4.436 1.00 0.00 O ATOM 312 CB LYS A 586 8.343 -3.995 2.564 1.00 0.00 C ATOM 313 CG LYS A 586 9.822 -4.304 2.278 1.00 0.00 C ATOM 314 CD LYS A 586 10.548 -3.075 1.719 1.00 0.00 C ATOM 315 CE LYS A 586 12.027 -3.410 1.485 1.00 0.00 C ATOM 316 NZ LYS A 586 12.778 -2.242 0.957 1.00 0.00 N ATOM 0 H LYS A 586 7.067 -6.063 1.352 1.00 0.00 H new ATOM 0 HA LYS A 586 8.131 -5.549 4.064 1.00 0.00 H new ATOM 0 HB2 LYS A 586 7.850 -3.701 1.638 1.00 0.00 H new ATOM 0 HB3 LYS A 586 8.276 -3.146 3.244 1.00 0.00 H new ATOM 0 HG2 LYS A 586 10.311 -4.633 3.195 1.00 0.00 H new ATOM 0 HG3 LYS A 586 9.893 -5.126 1.566 1.00 0.00 H new ATOM 0 HD2 LYS A 586 10.084 -2.761 0.784 1.00 0.00 H new ATOM 0 HD3 LYS A 586 10.460 -2.241 2.415 1.00 0.00 H new ATOM 0 HE2 LYS A 586 12.478 -3.740 2.421 1.00 0.00 H new ATOM 0 HE3 LYS A 586 12.105 -4.241 0.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 586 13.773 -2.506 0.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 586 12.363 -1.943 0.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 586 12.724 -1.458 1.638 1.00 0.00 H new ATOM 330 N LYS A 587 5.151 -5.509 3.212 1.00 0.00 N ATOM 331 CA LYS A 587 3.716 -5.186 3.383 1.00 0.00 C ATOM 332 C LYS A 587 3.394 -3.701 3.140 1.00 0.00 C ATOM 333 O LYS A 587 2.624 -3.073 3.871 1.00 0.00 O ATOM 334 CB LYS A 587 3.192 -5.759 4.715 1.00 0.00 C ATOM 335 CG LYS A 587 2.974 -7.274 4.583 1.00 0.00 C ATOM 336 CD LYS A 587 2.459 -7.884 5.892 1.00 0.00 C ATOM 337 CE LYS A 587 1.840 -9.272 5.668 1.00 0.00 C ATOM 338 NZ LYS A 587 2.838 -10.275 5.207 1.00 0.00 N ATOM 0 H LYS A 587 5.285 -6.368 2.678 1.00 0.00 H new ATOM 0 HA LYS A 587 3.155 -5.687 2.594 1.00 0.00 H new ATOM 0 HB2 LYS A 587 3.904 -5.554 5.514 1.00 0.00 H new ATOM 0 HB3 LYS A 587 2.257 -5.271 4.988 1.00 0.00 H new ATOM 0 HG2 LYS A 587 2.261 -7.472 3.783 1.00 0.00 H new ATOM 0 HG3 LYS A 587 3.911 -7.754 4.300 1.00 0.00 H new ATOM 0 HD2 LYS A 587 3.280 -7.963 6.605 1.00 0.00 H new ATOM 0 HD3 LYS A 587 1.715 -7.221 6.334 1.00 0.00 H new ATOM 0 HE2 LYS A 587 1.385 -9.617 6.597 1.00 0.00 H new ATOM 0 HE3 LYS A 587 1.041 -9.195 4.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 587 2.370 -11.194 5.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 587 3.254 -9.962 4.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 587 3.588 -10.371 5.921 1.00 0.00 H new ATOM 352 N ARG A 588 3.997 -3.144 2.087 1.00 0.00 N ATOM 353 CA ARG A 588 3.975 -1.715 1.741 1.00 0.00 C ATOM 354 C ARG A 588 3.457 -1.501 0.318 1.00 0.00 C ATOM 355 O ARG A 588 3.597 -2.376 -0.537 1.00 0.00 O ATOM 356 CB ARG A 588 5.394 -1.164 1.969 1.00 0.00 C ATOM 357 CG ARG A 588 5.504 0.359 1.962 1.00 0.00 C ATOM 358 CD ARG A 588 6.928 0.756 2.360 1.00 0.00 C ATOM 359 NE ARG A 588 7.125 2.210 2.259 1.00 0.00 N ATOM 360 CZ ARG A 588 8.246 2.849 1.996 1.00 0.00 C ATOM 361 NH1 ARG A 588 9.338 2.232 1.636 1.00 0.00 N ATOM 362 NH2 ARG A 588 8.290 4.142 2.098 1.00 0.00 N ATOM 0 H ARG A 588 4.538 -3.697 1.422 1.00 0.00 H new ATOM 0 HA ARG A 588 3.281 -1.165 2.376 1.00 0.00 H new ATOM 0 HB2 ARG A 588 5.762 -1.535 2.925 1.00 0.00 H new ATOM 0 HB3 ARG A 588 6.051 -1.564 1.197 1.00 0.00 H new ATOM 0 HG2 ARG A 588 5.267 0.749 0.972 1.00 0.00 H new ATOM 0 HG3 ARG A 588 4.784 0.792 2.656 1.00 0.00 H new ATOM 0 HD2 ARG A 588 7.127 0.430 3.381 1.00 0.00 H new ATOM 0 HD3 ARG A 588 7.644 0.244 1.717 1.00 0.00 H new ATOM 0 HE ARG A 588 6.299 2.789 2.410 1.00 0.00 H new ATOM 0 HH11 ARG A 588 9.345 1.216 1.549 1.00 0.00 H new ATOM 0 HH12 ARG A 588 10.185 2.766 1.442 1.00 0.00 H new ATOM 0 HH21 ARG A 588 7.458 4.660 2.381 1.00 0.00 H new ATOM 0 HH22 ARG A 588 9.157 4.640 1.895 1.00 0.00 H new ATOM 376 N GLY A 589 2.858 -0.346 0.054 1.00 0.00 N ATOM 377 CA GLY A 589 2.439 0.066 -1.286 1.00 0.00 C ATOM 378 C GLY A 589 2.685 1.563 -1.500 1.00 0.00 C ATOM 379 O GLY A 589 2.375 2.367 -0.618 1.00 0.00 O ATOM 0 H GLY A 589 2.645 0.344 0.775 1.00 0.00 H new ATOM 0 HA2 GLY A 589 2.986 -0.507 -2.035 1.00 0.00 H new ATOM 0 HA3 GLY A 589 1.381 -0.156 -1.425 1.00 0.00 H new ATOM 383 N LEU A 590 3.272 1.928 -2.649 1.00 0.00 N ATOM 384 CA LEU A 590 3.619 3.315 -3.004 1.00 0.00 C ATOM 385 C LEU A 590 2.901 3.790 -4.272 1.00 0.00 C ATOM 386 O LEU A 590 3.038 3.173 -5.330 1.00 0.00 O ATOM 387 CB LEU A 590 5.141 3.477 -3.176 1.00 0.00 C ATOM 388 CG LEU A 590 5.982 3.288 -1.904 1.00 0.00 C ATOM 389 CD1 LEU A 590 7.440 3.648 -2.193 1.00 0.00 C ATOM 390 CD2 LEU A 590 5.480 4.167 -0.762 1.00 0.00 C ATOM 0 H LEU A 590 3.525 1.255 -3.373 1.00 0.00 H new ATOM 0 HA LEU A 590 3.282 3.939 -2.176 1.00 0.00 H new ATOM 0 HB2 LEU A 590 5.481 2.760 -3.924 1.00 0.00 H new ATOM 0 HB3 LEU A 590 5.339 4.472 -3.575 1.00 0.00 H new ATOM 0 HG LEU A 590 5.896 2.244 -1.604 1.00 0.00 H new ATOM 0 HD11 LEU A 590 8.034 3.513 -1.289 1.00 0.00 H new ATOM 0 HD12 LEU A 590 7.825 3.001 -2.981 1.00 0.00 H new ATOM 0 HD13 LEU A 590 7.501 4.687 -2.515 1.00 0.00 H new ATOM 0 HD21 LEU A 590 6.099 4.006 0.120 1.00 0.00 H new ATOM 0 HD22 LEU A 590 5.535 5.215 -1.058 1.00 0.00 H new ATOM 0 HD23 LEU A 590 4.446 3.909 -0.532 1.00 0.00 H new ATOM 402 N CYS A 591 2.161 4.897 -4.183 1.00 0.00 N ATOM 403 CA CYS A 591 1.349 5.414 -5.283 1.00 0.00 C ATOM 404 C CYS A 591 2.176 5.786 -6.536 1.00 0.00 C ATOM 405 O CYS A 591 3.312 6.266 -6.447 1.00 0.00 O ATOM 406 CB CYS A 591 0.540 6.603 -4.766 1.00 0.00 C ATOM 407 SG CYS A 591 -0.686 7.065 -6.009 1.00 0.00 S ATOM 0 H CYS A 591 2.109 5.464 -3.337 1.00 0.00 H new ATOM 0 HA CYS A 591 0.680 4.621 -5.618 1.00 0.00 H new ATOM 0 HB2 CYS A 591 0.047 6.344 -3.829 1.00 0.00 H new ATOM 0 HB3 CYS A 591 1.200 7.445 -4.557 1.00 0.00 H new ATOM 412 N SER A 592 1.569 5.589 -7.709 1.00 0.00 N ATOM 413 CA SER A 592 2.122 5.944 -9.023 1.00 0.00 C ATOM 414 C SER A 592 1.816 7.400 -9.434 1.00 0.00 C ATOM 415 O SER A 592 2.533 7.982 -10.254 1.00 0.00 O ATOM 416 CB SER A 592 1.584 4.948 -10.059 1.00 0.00 C ATOM 417 OG SER A 592 2.261 5.069 -11.299 1.00 0.00 O ATOM 0 H SER A 592 0.645 5.162 -7.775 1.00 0.00 H new ATOM 0 HA SER A 592 3.209 5.882 -8.968 1.00 0.00 H new ATOM 0 HB2 SER A 592 1.696 3.932 -9.680 1.00 0.00 H new ATOM 0 HB3 SER A 592 0.518 5.117 -10.208 1.00 0.00 H new ATOM 0 HG SER A 592 1.896 4.420 -11.936 1.00 0.00 H new ATOM 423 N ARG A 593 0.779 8.026 -8.853 1.00 0.00 N ATOM 424 CA ARG A 593 0.345 9.398 -9.157 1.00 0.00 C ATOM 425 C ARG A 593 1.206 10.420 -8.402 1.00 0.00 C ATOM 426 O ARG A 593 1.214 10.450 -7.173 1.00 0.00 O ATOM 427 CB ARG A 593 -1.165 9.500 -8.866 1.00 0.00 C ATOM 428 CG ARG A 593 -1.709 10.931 -8.965 1.00 0.00 C ATOM 429 CD ARG A 593 -3.242 10.996 -8.891 1.00 0.00 C ATOM 430 NE ARG A 593 -3.874 10.548 -10.149 1.00 0.00 N ATOM 431 CZ ARG A 593 -4.473 9.394 -10.390 1.00 0.00 C ATOM 432 NH1 ARG A 593 -4.674 8.487 -9.483 1.00 0.00 N ATOM 433 NH2 ARG A 593 -4.884 9.108 -11.591 1.00 0.00 N ATOM 0 H ARG A 593 0.204 7.578 -8.139 1.00 0.00 H new ATOM 0 HA ARG A 593 0.492 9.636 -10.210 1.00 0.00 H new ATOM 0 HB2 ARG A 593 -1.706 8.864 -9.567 1.00 0.00 H new ATOM 0 HB3 ARG A 593 -1.362 9.113 -7.866 1.00 0.00 H new ATOM 0 HG2 ARG A 593 -1.286 11.531 -8.160 1.00 0.00 H new ATOM 0 HG3 ARG A 593 -1.377 11.376 -9.903 1.00 0.00 H new ATOM 0 HD2 ARG A 593 -3.592 10.374 -8.067 1.00 0.00 H new ATOM 0 HD3 ARG A 593 -3.552 12.018 -8.673 1.00 0.00 H new ATOM 0 HE ARG A 593 -3.845 11.209 -10.926 1.00 0.00 H new ATOM 0 HH11 ARG A 593 -4.364 8.647 -8.525 1.00 0.00 H new ATOM 0 HH12 ARG A 593 -5.142 7.615 -9.729 1.00 0.00 H new ATOM 0 HH21 ARG A 593 -4.744 9.775 -12.350 1.00 0.00 H new ATOM 0 HH22 ARG A 593 -5.346 8.217 -11.773 1.00 0.00 H new ATOM 447 N LEU A 594 1.897 11.296 -9.135 1.00 0.00 N ATOM 448 CA LEU A 594 2.864 12.255 -8.569 1.00 0.00 C ATOM 449 C LEU A 594 2.207 13.368 -7.725 1.00 0.00 C ATOM 450 O LEU A 594 2.828 13.882 -6.794 1.00 0.00 O ATOM 451 CB LEU A 594 3.714 12.859 -9.705 1.00 0.00 C ATOM 452 CG LEU A 594 4.547 11.848 -10.522 1.00 0.00 C ATOM 453 CD1 LEU A 594 5.328 12.590 -11.608 1.00 0.00 C ATOM 454 CD2 LEU A 594 5.547 11.073 -9.661 1.00 0.00 C ATOM 0 H LEU A 594 1.804 11.365 -10.148 1.00 0.00 H new ATOM 0 HA LEU A 594 3.500 11.700 -7.880 1.00 0.00 H new ATOM 0 HB2 LEU A 594 3.051 13.392 -10.387 1.00 0.00 H new ATOM 0 HB3 LEU A 594 4.391 13.598 -9.275 1.00 0.00 H new ATOM 0 HG LEU A 594 3.844 11.135 -10.952 1.00 0.00 H new ATOM 0 HD11 LEU A 594 5.916 11.876 -12.185 1.00 0.00 H new ATOM 0 HD12 LEU A 594 4.631 13.105 -12.270 1.00 0.00 H new ATOM 0 HD13 LEU A 594 5.994 13.318 -11.144 1.00 0.00 H new ATOM 0 HD21 LEU A 594 6.104 10.377 -10.288 1.00 0.00 H new ATOM 0 HD22 LEU A 594 6.239 11.771 -9.190 1.00 0.00 H new ATOM 0 HD23 LEU A 594 5.011 10.518 -8.891 1.00 0.00 H new ATOM 466 N ALA A 595 0.943 13.702 -8.006 1.00 0.00 N ATOM 467 CA ALA A 595 0.135 14.643 -7.218 1.00 0.00 C ATOM 468 C ALA A 595 -0.419 14.045 -5.899 1.00 0.00 C ATOM 469 O ALA A 595 -0.991 14.772 -5.082 1.00 0.00 O ATOM 470 CB ALA A 595 -0.991 15.162 -8.123 1.00 0.00 C ATOM 0 H ALA A 595 0.440 13.317 -8.806 1.00 0.00 H new ATOM 0 HA ALA A 595 0.778 15.460 -6.891 1.00 0.00 H new ATOM 0 HB1 ALA A 595 -1.611 15.865 -7.566 1.00 0.00 H new ATOM 0 HB2 ALA A 595 -0.560 15.665 -8.988 1.00 0.00 H new ATOM 0 HB3 ALA A 595 -1.603 14.325 -8.458 1.00 0.00 H new ATOM 476 N CYS A 596 -0.257 12.730 -5.698 1.00 0.00 N ATOM 477 CA CYS A 596 -0.775 11.941 -4.580 1.00 0.00 C ATOM 478 C CYS A 596 0.371 11.440 -3.681 1.00 0.00 C ATOM 479 O CYS A 596 0.450 11.812 -2.506 1.00 0.00 O ATOM 480 CB CYS A 596 -1.591 10.816 -5.217 1.00 0.00 C ATOM 481 SG CYS A 596 -2.187 9.592 -4.006 1.00 0.00 S ATOM 0 H CYS A 596 0.273 12.157 -6.355 1.00 0.00 H new ATOM 0 HA CYS A 596 -1.407 12.525 -3.911 1.00 0.00 H new ATOM 0 HB2 CYS A 596 -2.445 11.246 -5.740 1.00 0.00 H new ATOM 0 HB3 CYS A 596 -0.980 10.311 -5.965 1.00 0.00 H new ATOM 486 N GLY A 597 1.290 10.659 -4.266 1.00 0.00 N ATOM 487 CA GLY A 597 2.564 10.232 -3.669 1.00 0.00 C ATOM 488 C GLY A 597 2.416 9.618 -2.271 1.00 0.00 C ATOM 489 O GLY A 597 3.026 10.100 -1.313 1.00 0.00 O ATOM 0 H GLY A 597 1.160 10.292 -5.209 1.00 0.00 H new ATOM 0 HA2 GLY A 597 3.037 9.504 -4.328 1.00 0.00 H new ATOM 0 HA3 GLY A 597 3.233 11.091 -3.610 1.00 0.00 H new ATOM 493 N PHE A 598 1.574 8.589 -2.143 1.00 0.00 N ATOM 494 CA PHE A 598 1.129 8.026 -0.870 1.00 0.00 C ATOM 495 C PHE A 598 1.868 6.735 -0.509 1.00 0.00 C ATOM 496 O PHE A 598 2.352 6.018 -1.386 1.00 0.00 O ATOM 497 CB PHE A 598 -0.399 7.852 -0.887 1.00 0.00 C ATOM 498 CG PHE A 598 -0.997 7.697 0.501 1.00 0.00 C ATOM 499 CD1 PHE A 598 -0.917 8.758 1.424 1.00 0.00 C ATOM 500 CD2 PHE A 598 -1.618 6.496 0.886 1.00 0.00 C ATOM 501 CE1 PHE A 598 -1.480 8.634 2.708 1.00 0.00 C ATOM 502 CE2 PHE A 598 -2.174 6.370 2.174 1.00 0.00 C ATOM 503 CZ PHE A 598 -2.120 7.439 3.078 1.00 0.00 C ATOM 0 H PHE A 598 1.172 8.111 -2.949 1.00 0.00 H new ATOM 0 HA PHE A 598 1.382 8.728 -0.076 1.00 0.00 H new ATOM 0 HB2 PHE A 598 -0.851 8.714 -1.377 1.00 0.00 H new ATOM 0 HB3 PHE A 598 -0.652 6.977 -1.485 1.00 0.00 H new ATOM 0 HD1 PHE A 598 -0.419 9.675 1.144 1.00 0.00 H new ATOM 0 HD2 PHE A 598 -1.669 5.669 0.193 1.00 0.00 H new ATOM 0 HE1 PHE A 598 -1.420 9.455 3.407 1.00 0.00 H new ATOM 0 HE2 PHE A 598 -2.645 5.443 2.467 1.00 0.00 H new ATOM 0 HZ PHE A 598 -2.569 7.345 4.056 1.00 0.00 H new ATOM 513 N ASP A 599 1.947 6.451 0.790 1.00 0.00 N ATOM 514 CA ASP A 599 2.703 5.345 1.379 1.00 0.00 C ATOM 515 C ASP A 599 1.824 4.624 2.406 1.00 0.00 C ATOM 516 O ASP A 599 1.542 5.169 3.479 1.00 0.00 O ATOM 517 CB ASP A 599 3.986 5.930 1.993 1.00 0.00 C ATOM 518 CG ASP A 599 4.945 4.889 2.586 1.00 0.00 C ATOM 519 OD1 ASP A 599 4.710 3.668 2.469 1.00 0.00 O ATOM 520 OD2 ASP A 599 5.999 5.300 3.124 1.00 0.00 O ATOM 0 H ASP A 599 1.464 7.010 1.493 1.00 0.00 H new ATOM 0 HA ASP A 599 2.989 4.602 0.634 1.00 0.00 H new ATOM 0 HB2 ASP A 599 4.515 6.496 1.226 1.00 0.00 H new ATOM 0 HB3 ASP A 599 3.709 6.636 2.776 1.00 0.00 H new ATOM 525 N PHE A 600 1.347 3.423 2.061 1.00 0.00 N ATOM 526 CA PHE A 600 0.306 2.722 2.817 1.00 0.00 C ATOM 527 C PHE A 600 0.629 1.275 3.205 1.00 0.00 C ATOM 528 O PHE A 600 1.411 0.579 2.550 1.00 0.00 O ATOM 529 CB PHE A 600 -1.021 2.821 2.056 1.00 0.00 C ATOM 530 CG PHE A 600 -1.098 2.091 0.729 1.00 0.00 C ATOM 531 CD1 PHE A 600 -0.719 2.744 -0.459 1.00 0.00 C ATOM 532 CD2 PHE A 600 -1.624 0.787 0.668 1.00 0.00 C ATOM 533 CE1 PHE A 600 -0.878 2.101 -1.697 1.00 0.00 C ATOM 534 CE2 PHE A 600 -1.780 0.142 -0.571 1.00 0.00 C ATOM 535 CZ PHE A 600 -1.413 0.801 -1.756 1.00 0.00 C ATOM 0 H PHE A 600 1.675 2.908 1.244 1.00 0.00 H new ATOM 0 HA PHE A 600 0.236 3.230 3.779 1.00 0.00 H new ATOM 0 HB2 PHE A 600 -1.813 2.440 2.701 1.00 0.00 H new ATOM 0 HB3 PHE A 600 -1.234 3.875 1.878 1.00 0.00 H new ATOM 0 HD1 PHE A 600 -0.305 3.741 -0.418 1.00 0.00 H new ATOM 0 HD2 PHE A 600 -1.909 0.279 1.578 1.00 0.00 H new ATOM 0 HE1 PHE A 600 -0.589 2.606 -2.607 1.00 0.00 H new ATOM 0 HE2 PHE A 600 -2.182 -0.860 -0.612 1.00 0.00 H new ATOM 0 HZ PHE A 600 -1.541 0.311 -2.710 1.00 0.00 H new ATOM 545 N CYS A 601 -0.028 0.835 4.280 1.00 0.00 N ATOM 546 CA CYS A 601 -0.077 -0.544 4.743 1.00 0.00 C ATOM 547 C CYS A 601 -1.037 -1.361 3.864 1.00 0.00 C ATOM 548 O CYS A 601 -2.214 -1.020 3.713 1.00 0.00 O ATOM 549 CB CYS A 601 -0.530 -0.519 6.204 1.00 0.00 C ATOM 550 SG CYS A 601 -0.801 -2.223 6.814 1.00 0.00 S ATOM 0 H CYS A 601 -0.565 1.465 4.877 1.00 0.00 H new ATOM 0 HA CYS A 601 0.901 -1.020 4.671 1.00 0.00 H new ATOM 0 HB2 CYS A 601 0.222 -0.021 6.817 1.00 0.00 H new ATOM 0 HB3 CYS A 601 -1.450 0.058 6.297 1.00 0.00 H new ATOM 555 N VAL A 602 -0.546 -2.461 3.293 1.00 0.00 N ATOM 556 CA VAL A 602 -1.316 -3.296 2.350 1.00 0.00 C ATOM 557 C VAL A 602 -2.314 -4.242 3.036 1.00 0.00 C ATOM 558 O VAL A 602 -3.100 -4.893 2.346 1.00 0.00 O ATOM 559 CB VAL A 602 -0.395 -4.049 1.374 1.00 0.00 C ATOM 560 CG1 VAL A 602 0.499 -3.063 0.612 1.00 0.00 C ATOM 561 CG2 VAL A 602 0.454 -5.116 2.075 1.00 0.00 C ATOM 0 H VAL A 602 0.398 -2.805 3.467 1.00 0.00 H new ATOM 0 HA VAL A 602 -1.922 -2.601 1.769 1.00 0.00 H new ATOM 0 HB VAL A 602 -1.037 -4.570 0.664 1.00 0.00 H new ATOM 0 HG11 VAL A 602 1.144 -3.612 -0.074 1.00 0.00 H new ATOM 0 HG12 VAL A 602 -0.124 -2.369 0.047 1.00 0.00 H new ATOM 0 HG13 VAL A 602 1.113 -2.506 1.320 1.00 0.00 H new ATOM 0 HG21 VAL A 602 1.086 -5.618 1.342 1.00 0.00 H new ATOM 0 HG22 VAL A 602 1.081 -4.643 2.831 1.00 0.00 H new ATOM 0 HG23 VAL A 602 -0.200 -5.847 2.551 1.00 0.00 H new ATOM 571 N LEU A 603 -2.310 -4.311 4.375 1.00 0.00 N ATOM 572 CA LEU A 603 -3.265 -5.104 5.159 1.00 0.00 C ATOM 573 C LEU A 603 -4.490 -4.294 5.626 1.00 0.00 C ATOM 574 O LEU A 603 -5.598 -4.838 5.628 1.00 0.00 O ATOM 575 CB LEU A 603 -2.564 -5.732 6.375 1.00 0.00 C ATOM 576 CG LEU A 603 -1.488 -6.792 6.082 1.00 0.00 C ATOM 577 CD1 LEU A 603 -1.029 -7.393 7.413 1.00 0.00 C ATOM 578 CD2 LEU A 603 -1.992 -7.935 5.196 1.00 0.00 C ATOM 0 H LEU A 603 -1.633 -3.810 4.951 1.00 0.00 H new ATOM 0 HA LEU A 603 -3.635 -5.885 4.494 1.00 0.00 H new ATOM 0 HB2 LEU A 603 -2.104 -4.931 6.953 1.00 0.00 H new ATOM 0 HB3 LEU A 603 -3.325 -6.186 7.009 1.00 0.00 H new ATOM 0 HG LEU A 603 -0.680 -6.293 5.548 1.00 0.00 H new ATOM 0 HD11 LEU A 603 -0.265 -8.148 7.227 1.00 0.00 H new ATOM 0 HD12 LEU A 603 -0.616 -6.606 8.044 1.00 0.00 H new ATOM 0 HD13 LEU A 603 -1.879 -7.853 7.917 1.00 0.00 H new ATOM 0 HD21 LEU A 603 -1.185 -8.648 5.028 1.00 0.00 H new ATOM 0 HD22 LEU A 603 -2.824 -8.438 5.689 1.00 0.00 H new ATOM 0 HD23 LEU A 603 -2.327 -7.533 4.240 1.00 0.00 H new ATOM 590 N CYS A 604 -4.309 -3.020 6.014 1.00 0.00 N ATOM 591 CA CYS A 604 -5.364 -2.171 6.598 1.00 0.00 C ATOM 592 C CYS A 604 -5.658 -0.849 5.854 1.00 0.00 C ATOM 593 O CYS A 604 -6.562 -0.102 6.245 1.00 0.00 O ATOM 594 CB CYS A 604 -5.130 -1.998 8.106 1.00 0.00 C ATOM 595 SG CYS A 604 -3.662 -1.023 8.550 1.00 0.00 S ATOM 0 H CYS A 604 -3.412 -2.543 5.930 1.00 0.00 H new ATOM 0 HA CYS A 604 -6.299 -2.713 6.454 1.00 0.00 H new ATOM 0 HB2 CYS A 604 -6.009 -1.523 8.542 1.00 0.00 H new ATOM 0 HB3 CYS A 604 -5.043 -2.985 8.560 1.00 0.00 H new ATOM 600 N LEU A 605 -4.955 -0.604 4.745 1.00 0.00 N ATOM 601 CA LEU A 605 -5.180 0.487 3.778 1.00 0.00 C ATOM 602 C LEU A 605 -5.181 1.901 4.394 1.00 0.00 C ATOM 603 O LEU A 605 -5.876 2.806 3.928 1.00 0.00 O ATOM 604 CB LEU A 605 -6.405 0.171 2.889 1.00 0.00 C ATOM 605 CG LEU A 605 -6.208 -1.012 1.921 1.00 0.00 C ATOM 606 CD1 LEU A 605 -7.523 -1.303 1.197 1.00 0.00 C ATOM 607 CD2 LEU A 605 -5.145 -0.712 0.859 1.00 0.00 C ATOM 0 H LEU A 605 -4.166 -1.193 4.478 1.00 0.00 H new ATOM 0 HA LEU A 605 -4.308 0.524 3.125 1.00 0.00 H new ATOM 0 HB2 LEU A 605 -7.259 -0.041 3.532 1.00 0.00 H new ATOM 0 HB3 LEU A 605 -6.656 1.060 2.310 1.00 0.00 H new ATOM 0 HG LEU A 605 -5.883 -1.866 2.516 1.00 0.00 H new ATOM 0 HD11 LEU A 605 -7.384 -2.140 0.512 1.00 0.00 H new ATOM 0 HD12 LEU A 605 -8.292 -1.555 1.927 1.00 0.00 H new ATOM 0 HD13 LEU A 605 -7.832 -0.422 0.635 1.00 0.00 H new ATOM 0 HD21 LEU A 605 -5.038 -1.572 0.198 1.00 0.00 H new ATOM 0 HD22 LEU A 605 -5.448 0.158 0.276 1.00 0.00 H new ATOM 0 HD23 LEU A 605 -4.191 -0.508 1.346 1.00 0.00 H new ATOM 619 N CYS A 606 -4.364 2.097 5.430 1.00 0.00 N ATOM 620 CA CYS A 606 -4.058 3.398 6.033 1.00 0.00 C ATOM 621 C CYS A 606 -2.570 3.737 5.842 1.00 0.00 C ATOM 622 O CYS A 606 -1.802 2.922 5.324 1.00 0.00 O ATOM 623 CB CYS A 606 -4.480 3.372 7.510 1.00 0.00 C ATOM 624 SG CYS A 606 -6.288 3.231 7.611 1.00 0.00 S ATOM 0 H CYS A 606 -3.879 1.327 5.890 1.00 0.00 H new ATOM 0 HA CYS A 606 -4.619 4.191 5.539 1.00 0.00 H new ATOM 0 HB2 CYS A 606 -4.009 2.532 8.021 1.00 0.00 H new ATOM 0 HB3 CYS A 606 -4.145 4.279 8.012 1.00 0.00 H new ATOM 0 HG CYS A 606 -6.657 2.063 7.177 1.00 0.00 H new ATOM 630 N ALA A 607 -2.156 4.937 6.260 1.00 0.00 N ATOM 631 CA ALA A 607 -0.760 5.373 6.190 1.00 0.00 C ATOM 632 C ALA A 607 0.184 4.337 6.838 1.00 0.00 C ATOM 633 O ALA A 607 -0.090 3.818 7.925 1.00 0.00 O ATOM 634 CB ALA A 607 -0.631 6.753 6.846 1.00 0.00 C ATOM 0 H ALA A 607 -2.783 5.636 6.658 1.00 0.00 H new ATOM 0 HA ALA A 607 -0.459 5.453 5.145 1.00 0.00 H new ATOM 0 HB1 ALA A 607 0.407 7.084 6.797 1.00 0.00 H new ATOM 0 HB2 ALA A 607 -1.264 7.467 6.319 1.00 0.00 H new ATOM 0 HB3 ALA A 607 -0.943 6.691 7.888 1.00 0.00 H new ATOM 640 N TYR A 608 1.278 4.016 6.145 1.00 0.00 N ATOM 641 CA TYR A 608 2.176 2.909 6.478 1.00 0.00 C ATOM 642 C TYR A 608 2.749 2.993 7.902 1.00 0.00 C ATOM 643 O TYR A 608 3.225 4.046 8.335 1.00 0.00 O ATOM 644 CB TYR A 608 3.298 2.872 5.440 1.00 0.00 C ATOM 645 CG TYR A 608 4.283 1.737 5.611 1.00 0.00 C ATOM 646 CD1 TYR A 608 3.885 0.419 5.320 1.00 0.00 C ATOM 647 CD2 TYR A 608 5.611 2.007 5.995 1.00 0.00 C ATOM 648 CE1 TYR A 608 4.833 -0.618 5.329 1.00 0.00 C ATOM 649 CE2 TYR A 608 6.563 0.969 6.008 1.00 0.00 C ATOM 650 CZ TYR A 608 6.182 -0.334 5.626 1.00 0.00 C ATOM 651 OH TYR A 608 7.133 -1.282 5.430 1.00 0.00 O ATOM 0 H TYR A 608 1.571 4.532 5.315 1.00 0.00 H new ATOM 0 HA TYR A 608 1.597 1.986 6.455 1.00 0.00 H new ATOM 0 HB2 TYR A 608 2.853 2.802 4.447 1.00 0.00 H new ATOM 0 HB3 TYR A 608 3.842 3.816 5.480 1.00 0.00 H new ATOM 0 HD1 TYR A 608 2.852 0.205 5.090 1.00 0.00 H new ATOM 0 HD2 TYR A 608 5.899 3.008 6.279 1.00 0.00 H new ATOM 0 HE1 TYR A 608 4.529 -1.631 5.109 1.00 0.00 H new ATOM 0 HE2 TYR A 608 7.580 1.170 6.309 1.00 0.00 H new ATOM 0 HH TYR A 608 6.715 -2.097 5.082 1.00 0.00 H new ATOM 661 N HIS A 609 2.716 1.861 8.614 1.00 0.00 N ATOM 662 CA HIS A 609 3.105 1.751 10.027 1.00 0.00 C ATOM 663 C HIS A 609 4.211 0.708 10.302 1.00 0.00 C ATOM 664 O HIS A 609 4.396 0.267 11.440 1.00 0.00 O ATOM 665 CB HIS A 609 1.841 1.591 10.889 1.00 0.00 C ATOM 666 CG HIS A 609 1.033 0.352 10.591 1.00 0.00 C ATOM 667 ND1 HIS A 609 1.352 -0.929 10.966 1.00 0.00 N ATOM 668 CD2 HIS A 609 -0.171 0.292 9.938 1.00 0.00 C ATOM 669 CE1 HIS A 609 0.372 -1.746 10.566 1.00 0.00 C ATOM 670 NE2 HIS A 609 -0.590 -1.054 9.910 1.00 0.00 N ATOM 0 H HIS A 609 2.411 0.973 8.215 1.00 0.00 H new ATOM 0 HA HIS A 609 3.594 2.680 10.321 1.00 0.00 H new ATOM 0 HB2 HIS A 609 2.132 1.575 11.939 1.00 0.00 H new ATOM 0 HB3 HIS A 609 1.207 2.466 10.747 1.00 0.00 H new ATOM 0 HD1 HIS A 609 2.195 -1.211 11.466 1.00 0.00 H new ATOM 0 HD2 HIS A 609 -0.706 1.131 9.518 1.00 0.00 H new ATOM 0 HE1 HIS A 609 0.350 -2.811 10.742 1.00 0.00 H new ATOM 678 N GLY A 610 4.970 0.322 9.269 1.00 0.00 N ATOM 679 CA GLY A 610 6.183 -0.496 9.386 1.00 0.00 C ATOM 680 C GLY A 610 5.980 -1.821 10.136 1.00 0.00 C ATOM 681 O GLY A 610 5.131 -2.636 9.764 1.00 0.00 O ATOM 0 H GLY A 610 4.752 0.576 8.305 1.00 0.00 H new ATOM 0 HA2 GLY A 610 6.560 -0.712 8.386 1.00 0.00 H new ATOM 0 HA3 GLY A 610 6.951 0.084 9.898 1.00 0.00 H new ATOM 685 N SER A 611 6.768 -2.028 11.195 1.00 0.00 N ATOM 686 CA SER A 611 6.770 -3.256 12.016 1.00 0.00 C ATOM 687 C SER A 611 5.687 -3.294 13.111 1.00 0.00 C ATOM 688 O SER A 611 5.554 -4.309 13.800 1.00 0.00 O ATOM 689 CB SER A 611 8.152 -3.454 12.656 1.00 0.00 C ATOM 690 OG SER A 611 9.175 -3.466 11.667 1.00 0.00 O ATOM 0 H SER A 611 7.441 -1.333 11.518 1.00 0.00 H new ATOM 0 HA SER A 611 6.535 -4.070 11.330 1.00 0.00 H new ATOM 0 HB2 SER A 611 8.343 -2.655 13.372 1.00 0.00 H new ATOM 0 HB3 SER A 611 8.168 -4.391 13.212 1.00 0.00 H new ATOM 0 HG SER A 611 10.046 -3.592 12.099 1.00 0.00 H new ATOM 696 N GLU A 612 4.912 -2.220 13.303 1.00 0.00 N ATOM 697 CA GLU A 612 3.784 -2.190 14.252 1.00 0.00 C ATOM 698 C GLU A 612 2.561 -2.958 13.714 1.00 0.00 C ATOM 699 O GLU A 612 2.421 -3.162 12.506 1.00 0.00 O ATOM 700 CB GLU A 612 3.402 -0.741 14.607 1.00 0.00 C ATOM 701 CG GLU A 612 4.552 0.033 15.266 1.00 0.00 C ATOM 702 CD GLU A 612 4.083 1.417 15.757 1.00 0.00 C ATOM 703 OE1 GLU A 612 3.539 1.512 16.885 1.00 0.00 O ATOM 704 OE2 GLU A 612 4.267 2.425 15.031 1.00 0.00 O ATOM 0 H GLU A 612 5.047 -1.341 12.804 1.00 0.00 H new ATOM 0 HA GLU A 612 4.114 -2.693 15.161 1.00 0.00 H new ATOM 0 HB2 GLU A 612 3.091 -0.220 13.702 1.00 0.00 H new ATOM 0 HB3 GLU A 612 2.544 -0.751 15.280 1.00 0.00 H new ATOM 0 HG2 GLU A 612 4.945 -0.540 16.106 1.00 0.00 H new ATOM 0 HG3 GLU A 612 5.368 0.154 14.553 1.00 0.00 H new ATOM 711 N ASP A 613 1.651 -3.377 14.601 1.00 0.00 N ATOM 712 CA ASP A 613 0.403 -4.060 14.224 1.00 0.00 C ATOM 713 C ASP A 613 -0.658 -3.092 13.651 1.00 0.00 C ATOM 714 O ASP A 613 -0.626 -1.880 13.895 1.00 0.00 O ATOM 715 CB ASP A 613 -0.139 -4.842 15.432 1.00 0.00 C ATOM 716 CG ASP A 613 -1.272 -5.828 15.088 1.00 0.00 C ATOM 717 OD1 ASP A 613 -1.286 -6.381 13.963 1.00 0.00 O ATOM 718 OD2 ASP A 613 -2.137 -6.075 15.962 1.00 0.00 O ATOM 0 H ASP A 613 1.758 -3.252 15.608 1.00 0.00 H new ATOM 0 HA ASP A 613 0.632 -4.758 13.419 1.00 0.00 H new ATOM 0 HB2 ASP A 613 0.681 -5.394 15.891 1.00 0.00 H new ATOM 0 HB3 ASP A 613 -0.502 -4.133 16.176 1.00 0.00 H new ATOM 723 N CYS A 614 -1.607 -3.642 12.892 1.00 0.00 N ATOM 724 CA CYS A 614 -2.689 -2.915 12.225 1.00 0.00 C ATOM 725 C CYS A 614 -3.774 -2.393 13.197 1.00 0.00 C ATOM 726 O CYS A 614 -3.882 -2.816 14.355 1.00 0.00 O ATOM 727 CB CYS A 614 -3.275 -3.807 11.114 1.00 0.00 C ATOM 728 SG CYS A 614 -2.107 -3.999 9.733 1.00 0.00 S ATOM 0 H CYS A 614 -1.645 -4.646 12.718 1.00 0.00 H new ATOM 0 HA CYS A 614 -2.270 -2.012 11.781 1.00 0.00 H new ATOM 0 HB2 CYS A 614 -3.521 -4.787 11.524 1.00 0.00 H new ATOM 0 HB3 CYS A 614 -4.205 -3.372 10.748 1.00 0.00 H new ATOM 733 N ARG A 615 -4.586 -1.453 12.694 1.00 0.00 N ATOM 734 CA ARG A 615 -5.664 -0.758 13.423 1.00 0.00 C ATOM 735 C ARG A 615 -6.752 -1.700 13.967 1.00 0.00 C ATOM 736 O ARG A 615 -7.079 -2.719 13.352 1.00 0.00 O ATOM 737 CB ARG A 615 -6.255 0.355 12.534 1.00 0.00 C ATOM 738 CG ARG A 615 -6.890 -0.161 11.228 1.00 0.00 C ATOM 739 CD ARG A 615 -7.307 1.002 10.320 1.00 0.00 C ATOM 740 NE ARG A 615 -7.747 0.521 8.995 1.00 0.00 N ATOM 741 CZ ARG A 615 -8.967 0.204 8.607 1.00 0.00 C ATOM 742 NH1 ARG A 615 -9.996 0.240 9.407 1.00 0.00 N ATOM 743 NH2 ARG A 615 -9.163 -0.162 7.376 1.00 0.00 N ATOM 0 H ARG A 615 -4.509 -1.140 11.726 1.00 0.00 H new ATOM 0 HA ARG A 615 -5.218 -0.310 14.311 1.00 0.00 H new ATOM 0 HB2 ARG A 615 -7.009 0.899 13.103 1.00 0.00 H new ATOM 0 HB3 ARG A 615 -5.467 1.066 12.287 1.00 0.00 H new ATOM 0 HG2 ARG A 615 -6.180 -0.800 10.703 1.00 0.00 H new ATOM 0 HG3 ARG A 615 -7.760 -0.775 11.461 1.00 0.00 H new ATOM 0 HD2 ARG A 615 -8.114 1.562 10.792 1.00 0.00 H new ATOM 0 HD3 ARG A 615 -6.470 1.690 10.199 1.00 0.00 H new ATOM 0 HE ARG A 615 -7.015 0.421 8.291 1.00 0.00 H new ATOM 0 HH11 ARG A 615 -9.876 0.523 10.380 1.00 0.00 H new ATOM 0 HH12 ARG A 615 -10.921 -0.014 9.060 1.00 0.00 H new ATOM 0 HH21 ARG A 615 -8.379 -0.201 6.725 1.00 0.00 H new ATOM 0 HH22 ARG A 615 -10.101 -0.410 7.061 1.00 0.00 H new ATOM 757 N ARG A 616 -7.337 -1.323 15.110 1.00 0.00 N ATOM 758 CA ARG A 616 -8.420 -2.042 15.812 1.00 0.00 C ATOM 759 C ARG A 616 -9.799 -1.451 15.474 1.00 0.00 C ATOM 760 O ARG A 616 -9.923 -0.239 15.275 1.00 0.00 O ATOM 761 CB ARG A 616 -8.110 -2.031 17.322 1.00 0.00 C ATOM 762 CG ARG A 616 -9.049 -2.923 18.154 1.00 0.00 C ATOM 763 CD ARG A 616 -8.615 -3.022 19.623 1.00 0.00 C ATOM 764 NE ARG A 616 -8.712 -1.721 20.324 1.00 0.00 N ATOM 765 CZ ARG A 616 -7.725 -0.944 20.735 1.00 0.00 C ATOM 766 NH1 ARG A 616 -6.469 -1.247 20.554 1.00 0.00 N ATOM 767 NH2 ARG A 616 -7.984 0.178 21.344 1.00 0.00 N ATOM 0 H ARG A 616 -7.060 -0.471 15.597 1.00 0.00 H new ATOM 0 HA ARG A 616 -8.464 -3.078 15.476 1.00 0.00 H new ATOM 0 HB2 ARG A 616 -7.082 -2.359 17.475 1.00 0.00 H new ATOM 0 HB3 ARG A 616 -8.176 -1.007 17.690 1.00 0.00 H new ATOM 0 HG2 ARG A 616 -10.062 -2.525 18.104 1.00 0.00 H new ATOM 0 HG3 ARG A 616 -9.077 -3.922 17.718 1.00 0.00 H new ATOM 0 HD2 ARG A 616 -9.237 -3.756 20.135 1.00 0.00 H new ATOM 0 HD3 ARG A 616 -7.588 -3.384 19.673 1.00 0.00 H new ATOM 0 HE ARG A 616 -9.656 -1.383 20.513 1.00 0.00 H new ATOM 0 HH11 ARG A 616 -6.217 -2.113 20.079 1.00 0.00 H new ATOM 0 HH12 ARG A 616 -5.739 -0.617 20.888 1.00 0.00 H new ATOM 0 HH21 ARG A 616 -8.951 0.459 21.505 1.00 0.00 H new ATOM 0 HH22 ARG A 616 -7.220 0.775 21.660 1.00 0.00 H new ATOM 781 N GLY A 617 -10.827 -2.306 15.414 1.00 0.00 N ATOM 782 CA GLY A 617 -12.233 -1.936 15.155 1.00 0.00 C ATOM 783 C GLY A 617 -12.879 -1.137 16.291 1.00 0.00 C ATOM 784 O GLY A 617 -13.459 -0.066 16.009 1.00 0.00 O ATOM 785 OXT GLY A 617 -12.825 -1.602 17.451 1.00 0.00 O ATOM 0 H GLY A 617 -10.704 -3.310 15.548 1.00 0.00 H new ATOM 0 HA2 GLY A 617 -12.282 -1.350 14.237 1.00 0.00 H new ATOM 0 HA3 GLY A 617 -12.813 -2.843 14.985 1.00 0.00 H new TER 789 GLY A 617 HETATM 790 ZN ZN A 701 -2.528 7.713 -5.047 1.00 0.00 ZN HETATM 791 ZN ZN A 702 -1.782 -2.089 8.753 1.00 0.00 ZN