USER MOD reduce.3.24.130724 H: found=0, std=0, add=255, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 257 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 615 HIS HE2 : A 615 HIS NE2 : A 100 ZNZN :(H bumps) USER MOD NoAdj-H: A 619 HIS HE2 : A 619 HIS NE2 : A 100 ZNZN :(H bumps) USER MOD Single : A 595 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 596 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 604 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 607 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 609 SER OG : rot 180:sc= 0 USER MOD Single : A 611 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 613 SER OG : rot 84:sc= 0.112 USER MOD Single : A 614 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 617 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 618 THR OG1 : rot 180:sc= 0 USER MOD Single : A 620 GLN : amide:sc=-0.00129 X(o=-0.0013,f=0) USER MOD Single : A 621 ASN : amide:sc= -0.0832 X(o=-0.083,f=0) USER MOD Single : A 622 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 623 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 595 1.793 -0.357 -11.305 1.00 0.00 N ATOM 2 CA LYS A 595 2.542 0.723 -12.000 1.00 0.00 C ATOM 3 C LYS A 595 2.151 2.097 -11.466 1.00 0.00 C ATOM 4 O LYS A 595 0.969 2.434 -11.396 1.00 0.00 O ATOM 5 CB LYS A 595 2.245 0.635 -13.499 1.00 0.00 C ATOM 6 CG LYS A 595 0.790 0.901 -13.848 1.00 0.00 C ATOM 7 CD LYS A 595 0.326 0.035 -15.010 1.00 0.00 C ATOM 8 CE LYS A 595 -0.724 -0.974 -14.572 1.00 0.00 C ATOM 9 NZ LYS A 595 -0.127 -2.309 -14.292 1.00 0.00 N ATOM 0 HA LYS A 595 3.609 0.592 -11.819 1.00 0.00 H new ATOM 0 HB2 LYS A 595 2.874 1.351 -14.028 1.00 0.00 H new ATOM 0 HB3 LYS A 595 2.520 -0.357 -13.858 1.00 0.00 H new ATOM 0 HG2 LYS A 595 0.165 0.707 -12.976 1.00 0.00 H new ATOM 0 HG3 LYS A 595 0.663 1.953 -14.104 1.00 0.00 H new ATOM 0 HD2 LYS A 595 -0.084 0.669 -15.796 1.00 0.00 H new ATOM 0 HD3 LYS A 595 1.180 -0.490 -15.437 1.00 0.00 H new ATOM 0 HE2 LYS A 595 -1.229 -0.608 -13.679 1.00 0.00 H new ATOM 0 HE3 LYS A 595 -1.482 -1.071 -15.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 595 -0.875 -2.969 -13.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 595 0.334 -2.670 -15.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 595 0.578 -2.222 -13.532 1.00 0.00 H new ATOM 25 N LYS A 596 3.152 2.887 -11.090 1.00 0.00 N ATOM 26 CA LYS A 596 2.912 4.224 -10.562 1.00 0.00 C ATOM 27 C LYS A 596 2.063 4.165 -9.296 1.00 0.00 C ATOM 28 O LYS A 596 1.284 5.076 -9.015 1.00 0.00 O ATOM 29 CB LYS A 596 2.222 5.094 -11.615 1.00 0.00 C ATOM 30 CG LYS A 596 2.770 6.511 -11.687 1.00 0.00 C ATOM 31 CD LYS A 596 1.882 7.491 -10.937 1.00 0.00 C ATOM 32 CE LYS A 596 2.583 8.821 -10.717 1.00 0.00 C ATOM 33 NZ LYS A 596 1.620 9.957 -10.682 1.00 0.00 N ATOM 0 H LYS A 596 4.136 2.624 -11.141 1.00 0.00 H new ATOM 0 HA LYS A 596 3.875 4.667 -10.310 1.00 0.00 H new ATOM 0 HB2 LYS A 596 2.329 4.622 -12.592 1.00 0.00 H new ATOM 0 HB3 LYS A 596 1.155 5.137 -11.397 1.00 0.00 H new ATOM 0 HG2 LYS A 596 3.776 6.535 -11.267 1.00 0.00 H new ATOM 0 HG3 LYS A 596 2.852 6.818 -12.730 1.00 0.00 H new ATOM 0 HD2 LYS A 596 0.961 7.652 -11.498 1.00 0.00 H new ATOM 0 HD3 LYS A 596 1.599 7.064 -9.975 1.00 0.00 H new ATOM 0 HE2 LYS A 596 3.139 8.788 -9.780 1.00 0.00 H new ATOM 0 HE3 LYS A 596 3.309 8.985 -11.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 596 2.137 10.846 -10.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 596 1.107 10.005 -11.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 596 0.942 9.814 -9.906 1.00 0.00 H new ATOM 47 N PHE A 597 2.220 3.087 -8.534 1.00 0.00 N ATOM 48 CA PHE A 597 1.468 2.909 -7.297 1.00 0.00 C ATOM 49 C PHE A 597 2.368 2.370 -6.190 1.00 0.00 C ATOM 50 O PHE A 597 2.569 1.161 -6.072 1.00 0.00 O ATOM 51 CB PHE A 597 0.291 1.958 -7.523 1.00 0.00 C ATOM 52 CG PHE A 597 -0.782 2.529 -8.405 1.00 0.00 C ATOM 53 CD1 PHE A 597 -1.242 3.821 -8.209 1.00 0.00 C ATOM 54 CD2 PHE A 597 -1.330 1.774 -9.429 1.00 0.00 C ATOM 55 CE1 PHE A 597 -2.230 4.350 -9.019 1.00 0.00 C ATOM 56 CE2 PHE A 597 -2.318 2.298 -10.242 1.00 0.00 C ATOM 57 CZ PHE A 597 -2.768 3.587 -10.037 1.00 0.00 C ATOM 0 H PHE A 597 2.861 2.324 -8.751 1.00 0.00 H new ATOM 0 HA PHE A 597 1.084 3.882 -6.989 1.00 0.00 H new ATOM 0 HB2 PHE A 597 0.661 1.034 -7.967 1.00 0.00 H new ATOM 0 HB3 PHE A 597 -0.144 1.696 -6.559 1.00 0.00 H new ATOM 0 HD1 PHE A 597 -0.824 4.422 -7.415 1.00 0.00 H new ATOM 0 HD2 PHE A 597 -0.982 0.765 -9.594 1.00 0.00 H new ATOM 0 HE1 PHE A 597 -2.581 5.358 -8.856 1.00 0.00 H new ATOM 0 HE2 PHE A 597 -2.737 1.699 -11.037 1.00 0.00 H new ATOM 0 HZ PHE A 597 -3.539 3.998 -10.671 1.00 0.00 H new ATOM 67 N ALA A 598 2.908 3.276 -5.380 1.00 0.00 N ATOM 68 CA ALA A 598 3.788 2.892 -4.283 1.00 0.00 C ATOM 69 C ALA A 598 3.181 3.265 -2.934 1.00 0.00 C ATOM 70 O ALA A 598 2.075 3.800 -2.866 1.00 0.00 O ATOM 71 CB ALA A 598 5.152 3.545 -4.448 1.00 0.00 C ATOM 0 H ALA A 598 2.751 4.280 -5.463 1.00 0.00 H new ATOM 0 HA ALA A 598 3.909 1.809 -4.310 1.00 0.00 H new ATOM 0 HB1 ALA A 598 5.799 3.250 -3.622 1.00 0.00 H new ATOM 0 HB2 ALA A 598 5.597 3.225 -5.390 1.00 0.00 H new ATOM 0 HB3 ALA A 598 5.039 4.629 -4.450 1.00 0.00 H new ATOM 77 N CYS A 599 3.914 2.976 -1.864 1.00 0.00 N ATOM 78 CA CYS A 599 3.451 3.279 -0.514 1.00 0.00 C ATOM 79 C CYS A 599 4.112 4.549 0.020 1.00 0.00 C ATOM 80 O CYS A 599 5.323 4.728 -0.113 1.00 0.00 O ATOM 81 CB CYS A 599 3.749 2.109 0.421 1.00 0.00 C ATOM 82 SG CYS A 599 2.388 1.697 1.536 1.00 0.00 S ATOM 0 H CYS A 599 4.831 2.532 -1.905 1.00 0.00 H new ATOM 0 HA CYS A 599 2.374 3.442 -0.556 1.00 0.00 H new ATOM 0 HB2 CYS A 599 3.993 1.232 -0.178 1.00 0.00 H new ATOM 0 HB3 CYS A 599 4.632 2.346 1.014 1.00 0.00 H new ATOM 87 N PRO A 600 3.326 5.450 0.635 1.00 0.00 N ATOM 88 CA PRO A 600 3.843 6.700 1.188 1.00 0.00 C ATOM 89 C PRO A 600 4.429 6.527 2.588 1.00 0.00 C ATOM 90 O PRO A 600 5.058 7.440 3.123 1.00 0.00 O ATOM 91 CB PRO A 600 2.600 7.582 1.234 1.00 0.00 C ATOM 92 CG PRO A 600 1.478 6.631 1.485 1.00 0.00 C ATOM 93 CD PRO A 600 1.869 5.324 0.840 1.00 0.00 C ATOM 0 HA PRO A 600 4.662 7.107 0.595 1.00 0.00 H new ATOM 0 HB2 PRO A 600 2.672 8.329 2.025 1.00 0.00 H new ATOM 0 HB3 PRO A 600 2.461 8.122 0.297 1.00 0.00 H new ATOM 0 HG2 PRO A 600 1.312 6.501 2.554 1.00 0.00 H new ATOM 0 HG3 PRO A 600 0.547 7.009 1.062 1.00 0.00 H new ATOM 0 HD2 PRO A 600 1.628 4.475 1.480 1.00 0.00 H new ATOM 0 HD3 PRO A 600 1.345 5.172 -0.103 1.00 0.00 H new ATOM 101 N GLU A 601 4.216 5.354 3.181 1.00 0.00 N ATOM 102 CA GLU A 601 4.721 5.073 4.520 1.00 0.00 C ATOM 103 C GLU A 601 5.958 4.180 4.470 1.00 0.00 C ATOM 104 O GLU A 601 6.798 4.219 5.369 1.00 0.00 O ATOM 105 CB GLU A 601 3.635 4.407 5.367 1.00 0.00 C ATOM 106 CG GLU A 601 2.426 5.295 5.612 1.00 0.00 C ATOM 107 CD GLU A 601 2.577 6.157 6.850 1.00 0.00 C ATOM 108 OE1 GLU A 601 3.615 6.840 6.974 1.00 0.00 O ATOM 109 OE2 GLU A 601 1.657 6.150 7.695 1.00 0.00 O ATOM 0 H GLU A 601 3.698 4.585 2.755 1.00 0.00 H new ATOM 0 HA GLU A 601 5.003 6.022 4.976 1.00 0.00 H new ATOM 0 HB2 GLU A 601 3.309 3.492 4.872 1.00 0.00 H new ATOM 0 HB3 GLU A 601 4.062 4.115 6.327 1.00 0.00 H new ATOM 0 HG2 GLU A 601 2.269 5.936 4.744 1.00 0.00 H new ATOM 0 HG3 GLU A 601 1.537 4.672 5.714 1.00 0.00 H new ATOM 116 N CYS A 602 6.068 3.378 3.415 1.00 0.00 N ATOM 117 CA CYS A 602 7.205 2.481 3.255 1.00 0.00 C ATOM 118 C CYS A 602 7.780 2.593 1.846 1.00 0.00 C ATOM 119 O CYS A 602 7.227 3.291 0.996 1.00 0.00 O ATOM 120 CB CYS A 602 6.792 1.037 3.553 1.00 0.00 C ATOM 121 SG CYS A 602 5.613 0.340 2.375 1.00 0.00 S ATOM 0 H CYS A 602 5.384 3.332 2.660 1.00 0.00 H new ATOM 0 HA CYS A 602 7.978 2.773 3.966 1.00 0.00 H new ATOM 0 HB2 CYS A 602 7.685 0.412 3.568 1.00 0.00 H new ATOM 0 HB3 CYS A 602 6.357 0.995 4.552 1.00 0.00 H new ATOM 126 N PRO A 603 8.906 1.914 1.580 1.00 0.00 N ATOM 127 CA PRO A 603 9.557 1.949 0.281 1.00 0.00 C ATOM 128 C PRO A 603 9.059 0.858 -0.666 1.00 0.00 C ATOM 129 O PRO A 603 9.415 0.842 -1.844 1.00 0.00 O ATOM 130 CB PRO A 603 11.026 1.729 0.638 1.00 0.00 C ATOM 131 CG PRO A 603 11.020 0.944 1.917 1.00 0.00 C ATOM 132 CD PRO A 603 9.642 1.067 2.527 1.00 0.00 C ATOM 0 HA PRO A 603 9.359 2.878 -0.254 1.00 0.00 H new ATOM 0 HB2 PRO A 603 11.544 1.186 -0.152 1.00 0.00 H new ATOM 0 HB3 PRO A 603 11.545 2.679 0.764 1.00 0.00 H new ATOM 0 HG2 PRO A 603 11.261 -0.102 1.725 1.00 0.00 H new ATOM 0 HG3 PRO A 603 11.777 1.325 2.603 1.00 0.00 H new ATOM 0 HD2 PRO A 603 9.168 0.092 2.641 1.00 0.00 H new ATOM 0 HD3 PRO A 603 9.683 1.520 3.518 1.00 0.00 H new ATOM 140 N LYS A 604 8.233 -0.049 -0.152 1.00 0.00 N ATOM 141 CA LYS A 604 7.693 -1.132 -0.967 1.00 0.00 C ATOM 142 C LYS A 604 6.870 -0.575 -2.124 1.00 0.00 C ATOM 143 O LYS A 604 6.394 0.559 -2.071 1.00 0.00 O ATOM 144 CB LYS A 604 6.832 -2.065 -0.112 1.00 0.00 C ATOM 145 CG LYS A 604 7.522 -3.371 0.248 1.00 0.00 C ATOM 146 CD LYS A 604 6.949 -3.971 1.522 1.00 0.00 C ATOM 147 CE LYS A 604 8.046 -4.496 2.435 1.00 0.00 C ATOM 148 NZ LYS A 604 7.491 -5.231 3.604 1.00 0.00 N ATOM 0 H LYS A 604 7.924 -0.056 0.820 1.00 0.00 H new ATOM 0 HA LYS A 604 8.528 -1.700 -1.376 1.00 0.00 H new ATOM 0 HB2 LYS A 604 6.551 -1.547 0.805 1.00 0.00 H new ATOM 0 HB3 LYS A 604 5.909 -2.287 -0.648 1.00 0.00 H new ATOM 0 HG2 LYS A 604 7.411 -4.081 -0.572 1.00 0.00 H new ATOM 0 HG3 LYS A 604 8.590 -3.196 0.375 1.00 0.00 H new ATOM 0 HD2 LYS A 604 6.365 -3.217 2.050 1.00 0.00 H new ATOM 0 HD3 LYS A 604 6.267 -4.782 1.268 1.00 0.00 H new ATOM 0 HE2 LYS A 604 8.703 -5.157 1.870 1.00 0.00 H new ATOM 0 HE3 LYS A 604 8.656 -3.663 2.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 604 8.271 -5.573 4.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 604 6.884 -4.594 4.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 604 6.930 -6.041 3.271 1.00 0.00 H new ATOM 162 N ARG A 605 6.707 -1.378 -3.171 1.00 0.00 N ATOM 163 CA ARG A 605 5.943 -0.961 -4.340 1.00 0.00 C ATOM 164 C ARG A 605 4.953 -2.042 -4.760 1.00 0.00 C ATOM 165 O ARG A 605 5.207 -3.234 -4.582 1.00 0.00 O ATOM 166 CB ARG A 605 6.885 -0.636 -5.501 1.00 0.00 C ATOM 167 CG ARG A 605 8.088 0.198 -5.092 1.00 0.00 C ATOM 168 CD ARG A 605 8.857 0.700 -6.303 1.00 0.00 C ATOM 169 NE ARG A 605 9.717 1.834 -5.974 1.00 0.00 N ATOM 170 CZ ARG A 605 9.276 3.082 -5.835 1.00 0.00 C ATOM 171 NH1 ARG A 605 7.989 3.361 -5.998 1.00 0.00 N ATOM 172 NH2 ARG A 605 10.125 4.055 -5.531 1.00 0.00 N ATOM 0 H ARG A 605 7.094 -2.320 -3.233 1.00 0.00 H new ATOM 0 HA ARG A 605 5.382 -0.065 -4.074 1.00 0.00 H new ATOM 0 HB2 ARG A 605 7.234 -1.567 -5.947 1.00 0.00 H new ATOM 0 HB3 ARG A 605 6.328 -0.103 -6.271 1.00 0.00 H new ATOM 0 HG2 ARG A 605 7.757 1.046 -4.493 1.00 0.00 H new ATOM 0 HG3 ARG A 605 8.748 -0.399 -4.462 1.00 0.00 H new ATOM 0 HD2 ARG A 605 9.464 -0.110 -6.708 1.00 0.00 H new ATOM 0 HD3 ARG A 605 8.154 0.992 -7.083 1.00 0.00 H new ATOM 0 HE ARG A 605 10.713 1.659 -5.843 1.00 0.00 H new ATOM 0 HH11 ARG A 605 7.331 2.617 -6.231 1.00 0.00 H new ATOM 0 HH12 ARG A 605 7.657 4.320 -5.890 1.00 0.00 H new ATOM 0 HH21 ARG A 605 11.115 3.847 -5.404 1.00 0.00 H new ATOM 0 HH22 ARG A 605 9.787 5.012 -5.424 1.00 0.00 H new ATOM 186 N PHE A 606 3.824 -1.618 -5.320 1.00 0.00 N ATOM 187 CA PHE A 606 2.794 -2.550 -5.766 1.00 0.00 C ATOM 188 C PHE A 606 2.444 -2.313 -7.231 1.00 0.00 C ATOM 189 O PHE A 606 2.319 -1.171 -7.673 1.00 0.00 O ATOM 190 CB PHE A 606 1.538 -2.408 -4.904 1.00 0.00 C ATOM 191 CG PHE A 606 1.729 -2.861 -3.485 1.00 0.00 C ATOM 192 CD1 PHE A 606 2.656 -2.238 -2.665 1.00 0.00 C ATOM 193 CD2 PHE A 606 0.981 -3.908 -2.972 1.00 0.00 C ATOM 194 CE1 PHE A 606 2.833 -2.652 -1.359 1.00 0.00 C ATOM 195 CE2 PHE A 606 1.154 -4.326 -1.667 1.00 0.00 C ATOM 196 CZ PHE A 606 2.081 -3.697 -0.859 1.00 0.00 C ATOM 0 H PHE A 606 3.599 -0.635 -5.476 1.00 0.00 H new ATOM 0 HA PHE A 606 3.187 -3.561 -5.661 1.00 0.00 H new ATOM 0 HB2 PHE A 606 1.223 -1.364 -4.904 1.00 0.00 H new ATOM 0 HB3 PHE A 606 0.731 -2.985 -5.355 1.00 0.00 H new ATOM 0 HD1 PHE A 606 3.246 -1.420 -3.051 1.00 0.00 H new ATOM 0 HD2 PHE A 606 0.255 -4.403 -3.599 1.00 0.00 H new ATOM 0 HE1 PHE A 606 3.559 -2.159 -0.729 1.00 0.00 H new ATOM 0 HE2 PHE A 606 0.565 -5.144 -1.279 1.00 0.00 H new ATOM 0 HZ PHE A 606 2.218 -4.022 0.162 1.00 0.00 H new ATOM 206 N MET A 607 2.281 -3.400 -7.978 1.00 0.00 N ATOM 207 CA MET A 607 1.940 -3.310 -9.393 1.00 0.00 C ATOM 208 C MET A 607 0.461 -2.975 -9.584 1.00 0.00 C ATOM 209 O MET A 607 0.010 -2.744 -10.706 1.00 0.00 O ATOM 210 CB MET A 607 2.271 -4.625 -10.102 1.00 0.00 C ATOM 211 CG MET A 607 2.510 -4.467 -11.594 1.00 0.00 C ATOM 212 SD MET A 607 1.925 -5.884 -12.544 1.00 0.00 S ATOM 213 CE MET A 607 3.139 -5.933 -13.860 1.00 0.00 C ATOM 0 H MET A 607 2.379 -4.353 -7.627 1.00 0.00 H new ATOM 0 HA MET A 607 2.532 -2.506 -9.830 1.00 0.00 H new ATOM 0 HB2 MET A 607 3.159 -5.062 -9.644 1.00 0.00 H new ATOM 0 HB3 MET A 607 1.453 -5.328 -9.946 1.00 0.00 H new ATOM 0 HG2 MET A 607 2.007 -3.566 -11.945 1.00 0.00 H new ATOM 0 HG3 MET A 607 3.576 -4.328 -11.775 1.00 0.00 H new ATOM 0 HE1 MET A 607 2.912 -6.760 -14.533 1.00 0.00 H new ATOM 0 HE2 MET A 607 3.112 -4.995 -14.415 1.00 0.00 H new ATOM 0 HE3 MET A 607 4.132 -6.074 -13.434 1.00 0.00 H new ATOM 223 N ARG A 608 -0.292 -2.951 -8.485 1.00 0.00 N ATOM 224 CA ARG A 608 -1.715 -2.644 -8.543 1.00 0.00 C ATOM 225 C ARG A 608 -2.102 -1.652 -7.451 1.00 0.00 C ATOM 226 O ARG A 608 -1.289 -1.313 -6.591 1.00 0.00 O ATOM 227 CB ARG A 608 -2.540 -3.925 -8.401 1.00 0.00 C ATOM 228 CG ARG A 608 -3.757 -3.970 -9.310 1.00 0.00 C ATOM 229 CD ARG A 608 -4.019 -5.377 -9.821 1.00 0.00 C ATOM 230 NE ARG A 608 -4.926 -6.117 -8.947 1.00 0.00 N ATOM 231 CZ ARG A 608 -6.223 -5.846 -8.824 1.00 0.00 C ATOM 232 NH1 ARG A 608 -6.769 -4.855 -9.518 1.00 0.00 N ATOM 233 NH2 ARG A 608 -6.977 -6.568 -8.006 1.00 0.00 N ATOM 0 H ARG A 608 0.061 -3.140 -7.547 1.00 0.00 H new ATOM 0 HA ARG A 608 -1.925 -2.190 -9.512 1.00 0.00 H new ATOM 0 HB2 ARG A 608 -1.903 -4.783 -8.618 1.00 0.00 H new ATOM 0 HB3 ARG A 608 -2.867 -4.024 -7.366 1.00 0.00 H new ATOM 0 HG2 ARG A 608 -4.631 -3.610 -8.767 1.00 0.00 H new ATOM 0 HG3 ARG A 608 -3.607 -3.297 -10.154 1.00 0.00 H new ATOM 0 HD2 ARG A 608 -4.444 -5.325 -10.824 1.00 0.00 H new ATOM 0 HD3 ARG A 608 -3.074 -5.915 -9.902 1.00 0.00 H new ATOM 0 HE ARG A 608 -4.542 -6.887 -8.399 1.00 0.00 H new ATOM 0 HH11 ARG A 608 -6.194 -4.297 -10.149 1.00 0.00 H new ATOM 0 HH12 ARG A 608 -7.764 -4.651 -9.420 1.00 0.00 H new ATOM 0 HH21 ARG A 608 -6.563 -7.331 -7.471 1.00 0.00 H new ATOM 0 HH22 ARG A 608 -7.971 -6.360 -7.912 1.00 0.00 H new ATOM 247 N SER A 609 -3.347 -1.190 -7.493 1.00 0.00 N ATOM 248 CA SER A 609 -3.842 -0.236 -6.507 1.00 0.00 C ATOM 249 C SER A 609 -4.861 -0.890 -5.578 1.00 0.00 C ATOM 250 O SER A 609 -5.030 -0.471 -4.434 1.00 0.00 O ATOM 251 CB SER A 609 -4.473 0.969 -7.207 1.00 0.00 C ATOM 252 OG SER A 609 -5.462 0.559 -8.136 1.00 0.00 O ATOM 0 H SER A 609 -4.032 -1.461 -8.199 1.00 0.00 H new ATOM 0 HA SER A 609 -2.996 0.101 -5.908 1.00 0.00 H new ATOM 0 HB2 SER A 609 -4.919 1.632 -6.465 1.00 0.00 H new ATOM 0 HB3 SER A 609 -3.700 1.540 -7.722 1.00 0.00 H new ATOM 0 HG SER A 609 -5.851 1.347 -8.569 1.00 0.00 H new ATOM 258 N ASP A 610 -5.539 -1.919 -6.079 1.00 0.00 N ATOM 259 CA ASP A 610 -6.542 -2.628 -5.294 1.00 0.00 C ATOM 260 C ASP A 610 -5.919 -3.262 -4.054 1.00 0.00 C ATOM 261 O ASP A 610 -6.445 -3.132 -2.949 1.00 0.00 O ATOM 262 CB ASP A 610 -7.217 -3.705 -6.145 1.00 0.00 C ATOM 263 CG ASP A 610 -8.372 -3.157 -6.960 1.00 0.00 C ATOM 264 OD1 ASP A 610 -8.175 -2.146 -7.665 1.00 0.00 O ATOM 265 OD2 ASP A 610 -9.475 -3.740 -6.892 1.00 0.00 O ATOM 0 H ASP A 610 -5.411 -2.279 -7.025 1.00 0.00 H new ATOM 0 HA ASP A 610 -7.291 -1.904 -4.972 1.00 0.00 H new ATOM 0 HB2 ASP A 610 -6.481 -4.149 -6.815 1.00 0.00 H new ATOM 0 HB3 ASP A 610 -7.579 -4.503 -5.497 1.00 0.00 H new ATOM 270 N HIS A 611 -4.797 -3.950 -4.244 1.00 0.00 N ATOM 271 CA HIS A 611 -4.108 -4.604 -3.141 1.00 0.00 C ATOM 272 C HIS A 611 -3.406 -3.583 -2.255 1.00 0.00 C ATOM 273 O HIS A 611 -3.312 -3.758 -1.040 1.00 0.00 O ATOM 274 CB HIS A 611 -3.096 -5.621 -3.672 1.00 0.00 C ATOM 275 CG HIS A 611 -3.725 -6.884 -4.172 1.00 0.00 C ATOM 276 ND1 HIS A 611 -4.439 -6.974 -5.346 1.00 0.00 N ATOM 277 CD2 HIS A 611 -3.733 -8.129 -3.632 1.00 0.00 C ATOM 278 CE1 HIS A 611 -4.852 -8.242 -5.480 1.00 0.00 C ATOM 279 NE2 HIS A 611 -4.450 -8.984 -4.466 1.00 0.00 N ATOM 0 H HIS A 611 -4.347 -4.068 -5.152 1.00 0.00 H new ATOM 0 HA HIS A 611 -4.853 -5.126 -2.541 1.00 0.00 H new ATOM 0 HB2 HIS A 611 -2.524 -5.165 -4.480 1.00 0.00 H new ATOM 0 HB3 HIS A 611 -2.389 -5.866 -2.880 1.00 0.00 H new ATOM 0 HD2 HIS A 611 -3.259 -8.412 -2.704 1.00 0.00 H new ATOM 0 HE1 HIS A 611 -5.438 -8.609 -6.310 1.00 0.00 H new ATOM 0 HE2 HIS A 611 -4.627 -9.978 -4.322 1.00 0.00 H new ATOM 287 N LEU A 612 -2.916 -2.513 -2.871 1.00 0.00 N ATOM 288 CA LEU A 612 -2.225 -1.460 -2.137 1.00 0.00 C ATOM 289 C LEU A 612 -3.141 -0.831 -1.089 1.00 0.00 C ATOM 290 O LEU A 612 -2.672 -0.189 -0.150 1.00 0.00 O ATOM 291 CB LEU A 612 -1.719 -0.387 -3.105 1.00 0.00 C ATOM 292 CG LEU A 612 -0.256 0.020 -2.919 1.00 0.00 C ATOM 293 CD1 LEU A 612 0.091 1.192 -3.824 1.00 0.00 C ATOM 294 CD2 LEU A 612 0.022 0.368 -1.464 1.00 0.00 C ATOM 0 H LEU A 612 -2.984 -2.352 -3.876 1.00 0.00 H new ATOM 0 HA LEU A 612 -1.374 -1.907 -1.622 1.00 0.00 H new ATOM 0 HB2 LEU A 612 -1.852 -0.748 -4.125 1.00 0.00 H new ATOM 0 HB3 LEU A 612 -2.343 0.500 -2.997 1.00 0.00 H new ATOM 0 HG LEU A 612 0.373 -0.826 -3.195 1.00 0.00 H new ATOM 0 HD11 LEU A 612 1.135 1.468 -3.678 1.00 0.00 H new ATOM 0 HD12 LEU A 612 -0.067 0.908 -4.864 1.00 0.00 H new ATOM 0 HD13 LEU A 612 -0.546 2.042 -3.579 1.00 0.00 H new ATOM 0 HD21 LEU A 612 1.068 0.655 -1.352 1.00 0.00 H new ATOM 0 HD22 LEU A 612 -0.616 1.197 -1.160 1.00 0.00 H new ATOM 0 HD23 LEU A 612 -0.186 -0.499 -0.837 1.00 0.00 H new ATOM 306 N SER A 613 -4.449 -1.018 -1.254 1.00 0.00 N ATOM 307 CA SER A 613 -5.422 -0.465 -0.319 1.00 0.00 C ATOM 308 C SER A 613 -5.393 -1.217 1.007 1.00 0.00 C ATOM 309 O SER A 613 -5.451 -0.611 2.077 1.00 0.00 O ATOM 310 CB SER A 613 -6.827 -0.523 -0.921 1.00 0.00 C ATOM 311 OG SER A 613 -6.827 -0.072 -2.264 1.00 0.00 O ATOM 0 H SER A 613 -4.857 -1.547 -2.025 1.00 0.00 H new ATOM 0 HA SER A 613 -5.157 0.575 -0.130 1.00 0.00 H new ATOM 0 HB2 SER A 613 -7.202 -1.545 -0.878 1.00 0.00 H new ATOM 0 HB3 SER A 613 -7.505 0.091 -0.328 1.00 0.00 H new ATOM 0 HG SER A 613 -6.571 -0.809 -2.857 1.00 0.00 H new ATOM 317 N LYS A 614 -5.303 -2.540 0.929 1.00 0.00 N ATOM 318 CA LYS A 614 -5.268 -3.376 2.124 1.00 0.00 C ATOM 319 C LYS A 614 -3.960 -3.182 2.886 1.00 0.00 C ATOM 320 O LYS A 614 -3.923 -3.284 4.112 1.00 0.00 O ATOM 321 CB LYS A 614 -5.441 -4.849 1.746 1.00 0.00 C ATOM 322 CG LYS A 614 -6.847 -5.375 1.980 1.00 0.00 C ATOM 323 CD LYS A 614 -6.851 -6.881 2.187 1.00 0.00 C ATOM 324 CE LYS A 614 -7.831 -7.292 3.274 1.00 0.00 C ATOM 325 NZ LYS A 614 -7.498 -8.626 3.847 1.00 0.00 N ATOM 0 H LYS A 614 -5.253 -3.057 0.051 1.00 0.00 H new ATOM 0 HA LYS A 614 -6.091 -3.076 2.772 1.00 0.00 H new ATOM 0 HB2 LYS A 614 -5.184 -4.978 0.695 1.00 0.00 H new ATOM 0 HB3 LYS A 614 -4.737 -5.449 2.323 1.00 0.00 H new ATOM 0 HG2 LYS A 614 -7.279 -4.886 2.853 1.00 0.00 H new ATOM 0 HG3 LYS A 614 -7.478 -5.122 1.128 1.00 0.00 H new ATOM 0 HD2 LYS A 614 -7.114 -7.377 1.253 1.00 0.00 H new ATOM 0 HD3 LYS A 614 -5.849 -7.215 2.454 1.00 0.00 H new ATOM 0 HE2 LYS A 614 -7.827 -6.545 4.068 1.00 0.00 H new ATOM 0 HE3 LYS A 614 -8.840 -7.315 2.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 614 -8.190 -8.870 4.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 614 -7.526 -9.344 3.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 614 -6.545 -8.597 4.262 1.00 0.00 H new ATOM 339 N HIS A 615 -2.888 -2.904 2.150 1.00 0.00 N ATOM 340 CA HIS A 615 -1.577 -2.698 2.755 1.00 0.00 C ATOM 341 C HIS A 615 -1.541 -1.399 3.556 1.00 0.00 C ATOM 342 O HIS A 615 -1.078 -1.375 4.696 1.00 0.00 O ATOM 343 CB HIS A 615 -0.495 -2.678 1.674 1.00 0.00 C ATOM 344 CG HIS A 615 0.889 -2.490 2.213 1.00 0.00 C ATOM 345 ND1 HIS A 615 1.788 -3.516 2.401 1.00 0.00 N ATOM 346 CD2 HIS A 615 1.528 -1.357 2.599 1.00 0.00 C ATOM 347 CE1 HIS A 615 2.920 -2.987 2.885 1.00 0.00 C ATOM 348 NE2 HIS A 615 2.815 -1.679 3.022 1.00 0.00 N ATOM 0 H HIS A 615 -2.902 -2.816 1.134 1.00 0.00 H new ATOM 0 HA HIS A 615 -1.385 -3.525 3.438 1.00 0.00 H new ATOM 0 HB2 HIS A 615 -0.534 -3.613 1.115 1.00 0.00 H new ATOM 0 HB3 HIS A 615 -0.713 -1.876 0.969 1.00 0.00 H new ATOM 0 HD1 HIS A 615 1.622 -4.503 2.206 1.00 0.00 H new ATOM 0 HD2 HIS A 615 1.106 -0.363 2.581 1.00 0.00 H new ATOM 0 HE1 HIS A 615 3.804 -3.557 3.131 1.00 0.00 H new ATOM 356 N ILE A 616 -2.032 -0.321 2.953 1.00 0.00 N ATOM 357 CA ILE A 616 -2.054 0.979 3.614 1.00 0.00 C ATOM 358 C ILE A 616 -2.936 0.949 4.860 1.00 0.00 C ATOM 359 O ILE A 616 -2.697 1.683 5.818 1.00 0.00 O ATOM 360 CB ILE A 616 -2.558 2.086 2.666 1.00 0.00 C ATOM 361 CG1 ILE A 616 -1.737 2.097 1.376 1.00 0.00 C ATOM 362 CG2 ILE A 616 -2.494 3.445 3.349 1.00 0.00 C ATOM 363 CD1 ILE A 616 -2.501 2.617 0.178 1.00 0.00 C ATOM 0 H ILE A 616 -2.419 -0.322 2.009 1.00 0.00 H new ATOM 0 HA ILE A 616 -1.027 1.202 3.905 1.00 0.00 H new ATOM 0 HB ILE A 616 -3.598 1.877 2.414 1.00 0.00 H new ATOM 0 HG12 ILE A 616 -0.849 2.711 1.525 1.00 0.00 H new ATOM 0 HG13 ILE A 616 -1.392 1.085 1.166 1.00 0.00 H new ATOM 0 HG21 ILE A 616 -2.854 4.213 2.665 1.00 0.00 H new ATOM 0 HG22 ILE A 616 -3.119 3.433 4.242 1.00 0.00 H new ATOM 0 HG23 ILE A 616 -1.464 3.663 3.630 1.00 0.00 H new ATOM 0 HD11 ILE A 616 -1.857 2.596 -0.701 1.00 0.00 H new ATOM 0 HD12 ILE A 616 -3.374 1.989 0.003 1.00 0.00 H new ATOM 0 HD13 ILE A 616 -2.823 3.641 0.368 1.00 0.00 H new ATOM 375 N LYS A 617 -3.957 0.097 4.837 1.00 0.00 N ATOM 376 CA LYS A 617 -4.877 -0.025 5.963 1.00 0.00 C ATOM 377 C LYS A 617 -4.127 -0.322 7.259 1.00 0.00 C ATOM 378 O LYS A 617 -4.428 0.252 8.306 1.00 0.00 O ATOM 379 CB LYS A 617 -5.903 -1.127 5.692 1.00 0.00 C ATOM 380 CG LYS A 617 -6.868 -0.796 4.565 1.00 0.00 C ATOM 381 CD LYS A 617 -8.228 -0.374 5.100 1.00 0.00 C ATOM 382 CE LYS A 617 -9.338 -0.675 4.105 1.00 0.00 C ATOM 383 NZ LYS A 617 -10.257 0.484 3.930 1.00 0.00 N ATOM 0 H LYS A 617 -4.168 -0.519 4.052 1.00 0.00 H new ATOM 0 HA LYS A 617 -5.394 0.928 6.077 1.00 0.00 H new ATOM 0 HB2 LYS A 617 -5.377 -2.050 5.449 1.00 0.00 H new ATOM 0 HB3 LYS A 617 -6.472 -1.314 6.603 1.00 0.00 H new ATOM 0 HG2 LYS A 617 -6.453 0.004 3.953 1.00 0.00 H new ATOM 0 HG3 LYS A 617 -6.984 -1.665 3.918 1.00 0.00 H new ATOM 0 HD2 LYS A 617 -8.428 -0.893 6.037 1.00 0.00 H new ATOM 0 HD3 LYS A 617 -8.217 0.693 5.322 1.00 0.00 H new ATOM 0 HE2 LYS A 617 -8.901 -0.940 3.142 1.00 0.00 H new ATOM 0 HE3 LYS A 617 -9.906 -1.540 4.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 617 -10.999 0.238 3.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 617 -10.694 0.721 4.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 617 -9.720 1.303 3.580 1.00 0.00 H new ATOM 397 N THR A 618 -3.150 -1.220 7.183 1.00 0.00 N ATOM 398 CA THR A 618 -2.361 -1.588 8.353 1.00 0.00 C ATOM 399 C THR A 618 -1.404 -0.465 8.744 1.00 0.00 C ATOM 400 O THR A 618 -1.025 -0.338 9.908 1.00 0.00 O ATOM 401 CB THR A 618 -1.577 -2.875 8.085 1.00 0.00 C ATOM 402 OG1 THR A 618 -0.918 -3.313 9.260 1.00 0.00 O ATOM 403 CG2 THR A 618 -0.532 -2.728 7.000 1.00 0.00 C ATOM 0 H THR A 618 -2.886 -1.705 6.326 1.00 0.00 H new ATOM 0 HA THR A 618 -3.048 -1.757 9.182 1.00 0.00 H new ATOM 0 HB THR A 618 -2.320 -3.601 7.753 1.00 0.00 H new ATOM 0 HG1 THR A 618 -0.423 -4.137 9.070 1.00 0.00 H new ATOM 0 HG21 THR A 618 -0.015 -3.677 6.862 1.00 0.00 H new ATOM 0 HG22 THR A 618 -1.015 -2.439 6.066 1.00 0.00 H new ATOM 0 HG23 THR A 618 0.187 -1.961 7.289 1.00 0.00 H new ATOM 411 N HIS A 619 -1.018 0.349 7.766 1.00 0.00 N ATOM 412 CA HIS A 619 -0.106 1.460 8.013 1.00 0.00 C ATOM 413 C HIS A 619 -0.741 2.489 8.943 1.00 0.00 C ATOM 414 O HIS A 619 -0.047 3.168 9.700 1.00 0.00 O ATOM 415 CB HIS A 619 0.296 2.122 6.693 1.00 0.00 C ATOM 416 CG HIS A 619 1.608 1.637 6.158 1.00 0.00 C ATOM 417 ND1 HIS A 619 2.696 1.342 6.949 1.00 0.00 N ATOM 418 CD2 HIS A 619 1.995 1.389 4.880 1.00 0.00 C ATOM 419 CE1 HIS A 619 3.688 0.932 6.147 1.00 0.00 C ATOM 420 NE2 HIS A 619 3.313 0.941 4.883 1.00 0.00 N ATOM 0 H HIS A 619 -1.322 0.260 6.797 1.00 0.00 H new ATOM 0 HA HIS A 619 0.787 1.064 8.497 1.00 0.00 H new ATOM 0 HB2 HIS A 619 -0.481 1.937 5.951 1.00 0.00 H new ATOM 0 HB3 HIS A 619 0.348 3.201 6.838 1.00 0.00 H new ATOM 0 HD1 HIS A 619 2.739 1.421 7.965 1.00 0.00 H new ATOM 0 HD2 HIS A 619 1.379 1.519 4.002 1.00 0.00 H new ATOM 0 HE1 HIS A 619 4.667 0.633 6.491 1.00 0.00 H new ATOM 428 N GLN A 620 -2.064 2.599 8.881 1.00 0.00 N ATOM 429 CA GLN A 620 -2.792 3.546 9.719 1.00 0.00 C ATOM 430 C GLN A 620 -3.121 2.930 11.075 1.00 0.00 C ATOM 431 O GLN A 620 -2.788 3.489 12.119 1.00 0.00 O ATOM 432 CB GLN A 620 -4.079 3.991 9.023 1.00 0.00 C ATOM 433 CG GLN A 620 -3.868 5.097 8.002 1.00 0.00 C ATOM 434 CD GLN A 620 -4.310 6.454 8.514 1.00 0.00 C ATOM 435 OE1 GLN A 620 -3.776 6.963 9.500 1.00 0.00 O ATOM 436 NE2 GLN A 620 -5.291 7.049 7.844 1.00 0.00 N ATOM 0 H GLN A 620 -2.654 2.045 8.260 1.00 0.00 H new ATOM 0 HA GLN A 620 -2.155 4.416 9.879 1.00 0.00 H new ATOM 0 HB2 GLN A 620 -4.530 3.131 8.527 1.00 0.00 H new ATOM 0 HB3 GLN A 620 -4.789 4.333 9.776 1.00 0.00 H new ATOM 0 HG2 GLN A 620 -2.813 5.141 7.732 1.00 0.00 H new ATOM 0 HG3 GLN A 620 -4.420 4.858 7.093 1.00 0.00 H new ATOM 0 HE21 GLN A 620 -5.705 6.591 7.032 1.00 0.00 H new ATOM 0 HE22 GLN A 620 -5.630 7.964 8.141 1.00 0.00 H new ATOM 445 N ASN A 621 -3.777 1.774 11.050 1.00 0.00 N ATOM 446 CA ASN A 621 -4.152 1.081 12.277 1.00 0.00 C ATOM 447 C ASN A 621 -3.206 -0.083 12.555 1.00 0.00 C ATOM 448 O ASN A 621 -3.176 -1.063 11.812 1.00 0.00 O ATOM 449 CB ASN A 621 -5.593 0.574 12.180 1.00 0.00 C ATOM 450 CG ASN A 621 -6.568 1.455 12.936 1.00 0.00 C ATOM 451 OD1 ASN A 621 -7.494 2.019 12.354 1.00 0.00 O ATOM 452 ND2 ASN A 621 -6.362 1.579 14.242 1.00 0.00 N ATOM 0 H ASN A 621 -4.060 1.298 10.193 1.00 0.00 H new ATOM 0 HA ASN A 621 -4.079 1.789 13.103 1.00 0.00 H new ATOM 0 HB2 ASN A 621 -5.889 0.526 11.132 1.00 0.00 H new ATOM 0 HB3 ASN A 621 -5.645 -0.441 12.573 1.00 0.00 H new ATOM 0 HD21 ASN A 621 -6.984 2.160 14.804 1.00 0.00 H new ATOM 0 HD22 ASN A 621 -5.581 1.093 14.684 1.00 0.00 H new ATOM 459 N LYS A 622 -2.433 0.034 13.631 1.00 0.00 N ATOM 460 CA LYS A 622 -1.485 -1.007 14.008 1.00 0.00 C ATOM 461 C LYS A 622 -1.892 -1.666 15.322 1.00 0.00 C ATOM 462 O LYS A 622 -2.510 -1.034 16.180 1.00 0.00 O ATOM 463 CB LYS A 622 -0.076 -0.422 14.132 1.00 0.00 C ATOM 464 CG LYS A 622 1.009 -1.324 13.569 1.00 0.00 C ATOM 465 CD LYS A 622 1.286 -1.017 12.106 1.00 0.00 C ATOM 466 CE LYS A 622 2.747 -1.247 11.756 1.00 0.00 C ATOM 467 NZ LYS A 622 3.563 -0.015 11.939 1.00 0.00 N ATOM 0 H LYS A 622 -2.445 0.840 14.256 1.00 0.00 H new ATOM 0 HA LYS A 622 -1.489 -1.767 13.226 1.00 0.00 H new ATOM 0 HB2 LYS A 622 -0.043 0.537 13.616 1.00 0.00 H new ATOM 0 HB3 LYS A 622 0.136 -0.226 15.183 1.00 0.00 H new ATOM 0 HG2 LYS A 622 1.924 -1.199 14.148 1.00 0.00 H new ATOM 0 HG3 LYS A 622 0.707 -2.366 13.672 1.00 0.00 H new ATOM 0 HD2 LYS A 622 0.656 -1.645 11.476 1.00 0.00 H new ATOM 0 HD3 LYS A 622 1.018 0.018 11.893 1.00 0.00 H new ATOM 0 HE2 LYS A 622 3.149 -2.045 12.381 1.00 0.00 H new ATOM 0 HE3 LYS A 622 2.824 -1.583 10.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 622 4.553 -0.214 11.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 622 3.196 0.739 11.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 622 3.511 0.292 12.931 1.00 0.00 H new ATOM 481 N LYS A 623 -1.541 -2.939 15.474 1.00 0.00 N ATOM 482 CA LYS A 623 -1.869 -3.684 16.685 1.00 0.00 C ATOM 483 C LYS A 623 -1.188 -5.049 16.684 1.00 0.00 C ATOM 484 O LYS A 623 -1.389 -5.810 17.654 1.00 0.00 O ATOM 485 CB LYS A 623 -3.386 -3.853 16.810 1.00 0.00 C ATOM 486 CG LYS A 623 -3.989 -3.083 17.974 1.00 0.00 C ATOM 487 CD LYS A 623 -5.002 -3.923 18.736 1.00 0.00 C ATOM 488 CE LYS A 623 -6.371 -3.879 18.077 1.00 0.00 C ATOM 489 NZ LYS A 623 -6.621 -5.083 17.237 1.00 0.00 N ATOM 490 OXT LYS A 623 -0.460 -5.346 15.714 1.00 0.00 O ATOM 0 H LYS A 623 -1.030 -3.476 14.774 1.00 0.00 H new ATOM 0 HA LYS A 623 -1.504 -3.118 17.542 1.00 0.00 H new ATOM 0 HB2 LYS A 623 -3.858 -3.524 15.884 1.00 0.00 H new ATOM 0 HB3 LYS A 623 -3.617 -4.912 16.927 1.00 0.00 H new ATOM 0 HG2 LYS A 623 -3.196 -2.766 18.651 1.00 0.00 H new ATOM 0 HG3 LYS A 623 -4.471 -2.179 17.602 1.00 0.00 H new ATOM 0 HD2 LYS A 623 -4.655 -4.955 18.788 1.00 0.00 H new ATOM 0 HD3 LYS A 623 -5.079 -3.561 19.761 1.00 0.00 H new ATOM 0 HE2 LYS A 623 -7.141 -3.805 18.845 1.00 0.00 H new ATOM 0 HE3 LYS A 623 -6.449 -2.983 17.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 623 -7.565 -5.015 16.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 623 -5.901 -5.140 16.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 623 -6.572 -5.936 17.830 1.00 0.00 H new TER 504 LYS A 623 HETATM 505 ZN ZN A 100 3.407 0.242 3.019 1.00 0.00 ZN