USER MOD reduce.3.24.130724 H: found=0, std=0, add=255, rem=0, adj=5 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+ -154:sc= -0.161 (180deg=-0.877) USER MOD Single : A 604 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 607 MET CE :methyl 170:sc= -1.46! (180deg=-1.9!) USER MOD Single : A 609 SER OG : rot 54:sc= 0.728 USER MOD Single : A 611 HIS : no HD1:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 613 SER OG : rot 180:sc= 0 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 X(o=0,f=0) USER MOD Single : A 621 ASN : amide:sc= 0 X(o=0,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 0.968 3.339 -14.426 1.00 0.00 N ATOM 2 CA LYS A 595 0.641 3.684 -13.018 1.00 0.00 C ATOM 3 C LYS A 595 1.892 3.690 -12.145 1.00 0.00 C ATOM 4 O LYS A 595 2.943 3.189 -12.546 1.00 0.00 O ATOM 5 CB LYS A 595 -0.372 2.666 -12.487 1.00 0.00 C ATOM 6 CG LYS A 595 0.198 1.265 -12.320 1.00 0.00 C ATOM 7 CD LYS A 595 -0.748 0.207 -12.867 1.00 0.00 C ATOM 8 CE LYS A 595 -1.881 -0.082 -11.897 1.00 0.00 C ATOM 9 NZ LYS A 595 -2.999 -0.818 -12.550 1.00 0.00 N ATOM 0 HA LYS A 595 0.216 4.687 -12.986 1.00 0.00 H new ATOM 0 HB2 LYS A 595 -0.751 3.012 -11.525 1.00 0.00 H new ATOM 0 HB3 LYS A 595 -1.222 2.624 -13.168 1.00 0.00 H new ATOM 0 HG2 LYS A 595 1.157 1.198 -12.834 1.00 0.00 H new ATOM 0 HG3 LYS A 595 0.389 1.073 -11.264 1.00 0.00 H new ATOM 0 HD2 LYS A 595 -1.159 0.542 -13.819 1.00 0.00 H new ATOM 0 HD3 LYS A 595 -0.194 -0.711 -13.065 1.00 0.00 H new ATOM 0 HE2 LYS A 595 -1.501 -0.668 -11.060 1.00 0.00 H new ATOM 0 HE3 LYS A 595 -2.255 0.856 -11.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 595 -3.751 -0.995 -11.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 595 -3.379 -0.249 -13.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 595 -2.649 -1.725 -12.920 1.00 0.00 H new ATOM 25 N LYS A 596 1.772 4.260 -10.951 1.00 0.00 N ATOM 26 CA LYS A 596 2.894 4.330 -10.021 1.00 0.00 C ATOM 27 C LYS A 596 2.417 4.701 -8.620 1.00 0.00 C ATOM 28 O LYS A 596 2.735 5.775 -8.108 1.00 0.00 O ATOM 29 CB LYS A 596 3.926 5.348 -10.512 1.00 0.00 C ATOM 30 CG LYS A 596 5.202 5.367 -9.685 1.00 0.00 C ATOM 31 CD LYS A 596 6.226 6.329 -10.265 1.00 0.00 C ATOM 32 CE LYS A 596 7.005 5.693 -11.405 1.00 0.00 C ATOM 33 NZ LYS A 596 7.722 4.462 -10.969 1.00 0.00 N ATOM 0 H LYS A 596 0.910 4.680 -10.604 1.00 0.00 H new ATOM 0 HA LYS A 596 3.360 3.346 -9.975 1.00 0.00 H new ATOM 0 HB2 LYS A 596 4.178 5.126 -11.549 1.00 0.00 H new ATOM 0 HB3 LYS A 596 3.479 6.342 -10.498 1.00 0.00 H new ATOM 0 HG2 LYS A 596 4.969 5.656 -8.660 1.00 0.00 H new ATOM 0 HG3 LYS A 596 5.626 4.364 -9.644 1.00 0.00 H new ATOM 0 HD2 LYS A 596 5.722 7.226 -10.624 1.00 0.00 H new ATOM 0 HD3 LYS A 596 6.916 6.643 -9.482 1.00 0.00 H new ATOM 0 HE2 LYS A 596 6.322 5.447 -12.218 1.00 0.00 H new ATOM 0 HE3 LYS A 596 7.724 6.412 -11.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 596 8.549 4.307 -11.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 596 8.036 4.574 -9.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 596 7.082 3.645 -11.038 1.00 0.00 H new ATOM 47 N PHE A 597 1.651 3.806 -8.005 1.00 0.00 N ATOM 48 CA PHE A 597 1.130 4.038 -6.663 1.00 0.00 C ATOM 49 C PHE A 597 2.203 3.776 -5.610 1.00 0.00 C ATOM 50 O PHE A 597 2.662 4.696 -4.934 1.00 0.00 O ATOM 51 CB PHE A 597 -0.085 3.146 -6.403 1.00 0.00 C ATOM 52 CG PHE A 597 -1.122 3.213 -7.488 1.00 0.00 C ATOM 53 CD1 PHE A 597 -1.666 4.428 -7.871 1.00 0.00 C ATOM 54 CD2 PHE A 597 -1.554 2.059 -8.123 1.00 0.00 C ATOM 55 CE1 PHE A 597 -2.620 4.492 -8.869 1.00 0.00 C ATOM 56 CE2 PHE A 597 -2.509 2.117 -9.121 1.00 0.00 C ATOM 57 CZ PHE A 597 -3.042 3.335 -9.494 1.00 0.00 C ATOM 0 H PHE A 597 1.377 2.913 -8.415 1.00 0.00 H new ATOM 0 HA PHE A 597 0.826 5.082 -6.594 1.00 0.00 H new ATOM 0 HB2 PHE A 597 0.249 2.114 -6.294 1.00 0.00 H new ATOM 0 HB3 PHE A 597 -0.542 3.435 -5.457 1.00 0.00 H new ATOM 0 HD1 PHE A 597 -1.341 5.336 -7.384 1.00 0.00 H new ATOM 0 HD2 PHE A 597 -1.140 1.104 -7.835 1.00 0.00 H new ATOM 0 HE1 PHE A 597 -3.035 5.446 -9.160 1.00 0.00 H new ATOM 0 HE2 PHE A 597 -2.838 1.211 -9.608 1.00 0.00 H new ATOM 0 HZ PHE A 597 -3.788 3.383 -10.274 1.00 0.00 H new ATOM 67 N ALA A 598 2.598 2.514 -5.478 1.00 0.00 N ATOM 68 CA ALA A 598 3.618 2.130 -4.509 1.00 0.00 C ATOM 69 C ALA A 598 3.199 2.503 -3.091 1.00 0.00 C ATOM 70 O ALA A 598 2.182 3.167 -2.888 1.00 0.00 O ATOM 71 CB ALA A 598 4.948 2.782 -4.857 1.00 0.00 C ATOM 0 H ALA A 598 2.227 1.740 -6.030 1.00 0.00 H new ATOM 0 HA ALA A 598 3.734 1.047 -4.551 1.00 0.00 H new ATOM 0 HB1 ALA A 598 5.700 2.487 -4.126 1.00 0.00 H new ATOM 0 HB2 ALA A 598 5.262 2.461 -5.850 1.00 0.00 H new ATOM 0 HB3 ALA A 598 4.836 3.866 -4.845 1.00 0.00 H new ATOM 77 N CYS A 599 3.989 2.073 -2.113 1.00 0.00 N ATOM 78 CA CYS A 599 3.701 2.362 -0.714 1.00 0.00 C ATOM 79 C CYS A 599 4.408 3.640 -0.263 1.00 0.00 C ATOM 80 O CYS A 599 5.591 3.833 -0.541 1.00 0.00 O ATOM 81 CB CYS A 599 4.135 1.193 0.169 1.00 0.00 C ATOM 82 SG CYS A 599 3.685 1.384 1.908 1.00 0.00 S ATOM 0 H CYS A 599 4.834 1.523 -2.264 1.00 0.00 H new ATOM 0 HA CYS A 599 2.625 2.507 -0.615 1.00 0.00 H new ATOM 0 HB2 CYS A 599 3.687 0.276 -0.213 1.00 0.00 H new ATOM 0 HB3 CYS A 599 5.216 1.076 0.094 1.00 0.00 H new ATOM 87 N PRO A 600 3.690 4.535 0.439 1.00 0.00 N ATOM 88 CA PRO A 600 4.254 5.794 0.922 1.00 0.00 C ATOM 89 C PRO A 600 5.003 5.630 2.242 1.00 0.00 C ATOM 90 O PRO A 600 5.917 6.395 2.547 1.00 0.00 O ATOM 91 CB PRO A 600 3.014 6.661 1.118 1.00 0.00 C ATOM 92 CG PRO A 600 1.944 5.697 1.504 1.00 0.00 C ATOM 93 CD PRO A 600 2.268 4.394 0.814 1.00 0.00 C ATOM 0 HA PRO A 600 4.989 6.210 0.234 1.00 0.00 H new ATOM 0 HB2 PRO A 600 3.172 7.411 1.893 1.00 0.00 H new ATOM 0 HB3 PRO A 600 2.755 7.197 0.205 1.00 0.00 H new ATOM 0 HG2 PRO A 600 1.913 5.565 2.586 1.00 0.00 H new ATOM 0 HG3 PRO A 600 0.964 6.064 1.199 1.00 0.00 H new ATOM 0 HD2 PRO A 600 2.112 3.542 1.476 1.00 0.00 H new ATOM 0 HD3 PRO A 600 1.637 4.238 -0.061 1.00 0.00 H new ATOM 101 N GLU A 601 4.604 4.631 3.022 1.00 0.00 N ATOM 102 CA GLU A 601 5.233 4.369 4.313 1.00 0.00 C ATOM 103 C GLU A 601 6.576 3.665 4.141 1.00 0.00 C ATOM 104 O GLU A 601 7.469 3.801 4.978 1.00 0.00 O ATOM 105 CB GLU A 601 4.308 3.522 5.189 1.00 0.00 C ATOM 106 CG GLU A 601 3.255 4.334 5.924 1.00 0.00 C ATOM 107 CD GLU A 601 3.654 4.647 7.353 1.00 0.00 C ATOM 108 OE1 GLU A 601 4.724 5.260 7.550 1.00 0.00 O ATOM 109 OE2 GLU A 601 2.895 4.279 8.275 1.00 0.00 O ATOM 0 H GLU A 601 3.848 3.989 2.783 1.00 0.00 H new ATOM 0 HA GLU A 601 5.411 5.328 4.800 1.00 0.00 H new ATOM 0 HB2 GLU A 601 3.812 2.778 4.566 1.00 0.00 H new ATOM 0 HB3 GLU A 601 4.909 2.978 5.917 1.00 0.00 H new ATOM 0 HG2 GLU A 601 3.080 5.266 5.387 1.00 0.00 H new ATOM 0 HG3 GLU A 601 2.313 3.785 5.925 1.00 0.00 H new ATOM 116 N CYS A 602 6.715 2.913 3.054 1.00 0.00 N ATOM 117 CA CYS A 602 7.952 2.192 2.778 1.00 0.00 C ATOM 118 C CYS A 602 8.374 2.389 1.324 1.00 0.00 C ATOM 119 O CYS A 602 7.666 3.028 0.546 1.00 0.00 O ATOM 120 CB CYS A 602 7.779 0.703 3.094 1.00 0.00 C ATOM 121 SG CYS A 602 6.649 -0.169 1.986 1.00 0.00 S ATOM 0 H CYS A 602 5.987 2.787 2.351 1.00 0.00 H new ATOM 0 HA CYS A 602 8.739 2.592 3.418 1.00 0.00 H new ATOM 0 HB2 CYS A 602 8.755 0.219 3.052 1.00 0.00 H new ATOM 0 HB3 CYS A 602 7.416 0.601 4.117 1.00 0.00 H new ATOM 126 N PRO A 603 9.543 1.852 0.939 1.00 0.00 N ATOM 127 CA PRO A 603 10.062 1.981 -0.414 1.00 0.00 C ATOM 128 C PRO A 603 9.640 0.833 -1.327 1.00 0.00 C ATOM 129 O PRO A 603 10.311 0.538 -2.316 1.00 0.00 O ATOM 130 CB PRO A 603 11.572 1.963 -0.186 1.00 0.00 C ATOM 131 CG PRO A 603 11.779 1.142 1.053 1.00 0.00 C ATOM 132 CD PRO A 603 10.461 1.089 1.793 1.00 0.00 C ATOM 0 HA PRO A 603 9.690 2.873 -0.917 1.00 0.00 H new ATOM 0 HB2 PRO A 603 12.093 1.526 -1.038 1.00 0.00 H new ATOM 0 HB3 PRO A 603 11.962 2.973 -0.058 1.00 0.00 H new ATOM 0 HG2 PRO A 603 12.114 0.137 0.795 1.00 0.00 H new ATOM 0 HG3 PRO A 603 12.553 1.584 1.680 1.00 0.00 H new ATOM 0 HD2 PRO A 603 10.120 0.063 1.928 1.00 0.00 H new ATOM 0 HD3 PRO A 603 10.543 1.531 2.786 1.00 0.00 H new ATOM 140 N LYS A 604 8.524 0.191 -0.995 1.00 0.00 N ATOM 141 CA LYS A 604 8.019 -0.917 -1.791 1.00 0.00 C ATOM 142 C LYS A 604 7.237 -0.408 -2.998 1.00 0.00 C ATOM 143 O LYS A 604 7.038 0.796 -3.157 1.00 0.00 O ATOM 144 CB LYS A 604 7.130 -1.825 -0.939 1.00 0.00 C ATOM 145 CG LYS A 604 7.892 -2.598 0.125 1.00 0.00 C ATOM 146 CD LYS A 604 6.950 -3.359 1.043 1.00 0.00 C ATOM 147 CE LYS A 604 7.661 -3.831 2.300 1.00 0.00 C ATOM 148 NZ LYS A 604 8.712 -4.842 1.998 1.00 0.00 N ATOM 0 H LYS A 604 7.954 0.420 -0.181 1.00 0.00 H new ATOM 0 HA LYS A 604 8.873 -1.491 -2.149 1.00 0.00 H new ATOM 0 HB2 LYS A 604 6.363 -1.219 -0.457 1.00 0.00 H new ATOM 0 HB3 LYS A 604 6.616 -2.531 -1.591 1.00 0.00 H new ATOM 0 HG2 LYS A 604 8.579 -3.296 -0.353 1.00 0.00 H new ATOM 0 HG3 LYS A 604 8.497 -1.909 0.714 1.00 0.00 H new ATOM 0 HD2 LYS A 604 6.111 -2.720 1.316 1.00 0.00 H new ATOM 0 HD3 LYS A 604 6.537 -4.217 0.513 1.00 0.00 H new ATOM 0 HE2 LYS A 604 8.113 -2.977 2.804 1.00 0.00 H new ATOM 0 HE3 LYS A 604 6.933 -4.259 2.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 604 9.173 -5.138 2.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 604 8.277 -5.669 1.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 604 9.421 -4.426 1.360 1.00 0.00 H new ATOM 162 N ARG A 605 6.795 -1.333 -3.844 1.00 0.00 N ATOM 163 CA ARG A 605 6.033 -0.976 -5.035 1.00 0.00 C ATOM 164 C ARG A 605 4.998 -2.047 -5.361 1.00 0.00 C ATOM 165 O ARG A 605 5.244 -3.239 -5.175 1.00 0.00 O ATOM 166 CB ARG A 605 6.971 -0.777 -6.228 1.00 0.00 C ATOM 167 CG ARG A 605 8.032 0.287 -5.996 1.00 0.00 C ATOM 168 CD ARG A 605 8.408 0.990 -7.291 1.00 0.00 C ATOM 169 NE ARG A 605 9.787 1.473 -7.271 1.00 0.00 N ATOM 170 CZ ARG A 605 10.198 2.511 -6.546 1.00 0.00 C ATOM 171 NH1 ARG A 605 9.342 3.176 -5.781 1.00 0.00 N ATOM 172 NH2 ARG A 605 11.470 2.885 -6.587 1.00 0.00 N ATOM 0 H ARG A 605 6.951 -2.334 -3.727 1.00 0.00 H new ATOM 0 HA ARG A 605 5.511 -0.041 -4.833 1.00 0.00 H new ATOM 0 HB2 ARG A 605 7.461 -1.723 -6.456 1.00 0.00 H new ATOM 0 HB3 ARG A 605 6.380 -0.505 -7.103 1.00 0.00 H new ATOM 0 HG2 ARG A 605 7.664 1.019 -5.277 1.00 0.00 H new ATOM 0 HG3 ARG A 605 8.919 -0.171 -5.559 1.00 0.00 H new ATOM 0 HD2 ARG A 605 8.276 0.304 -8.128 1.00 0.00 H new ATOM 0 HD3 ARG A 605 7.732 1.829 -7.458 1.00 0.00 H new ATOM 0 HE ARG A 605 10.475 0.986 -7.846 1.00 0.00 H new ATOM 0 HH11 ARG A 605 8.363 2.893 -5.746 1.00 0.00 H new ATOM 0 HH12 ARG A 605 9.663 3.971 -5.228 1.00 0.00 H new ATOM 0 HH21 ARG A 605 12.132 2.377 -7.174 1.00 0.00 H new ATOM 0 HH22 ARG A 605 11.786 3.680 -6.032 1.00 0.00 H new ATOM 186 N PHE A 606 3.838 -1.616 -5.846 1.00 0.00 N ATOM 187 CA PHE A 606 2.765 -2.538 -6.196 1.00 0.00 C ATOM 188 C PHE A 606 2.233 -2.249 -7.596 1.00 0.00 C ATOM 189 O PHE A 606 2.258 -1.108 -8.057 1.00 0.00 O ATOM 190 CB PHE A 606 1.628 -2.442 -5.177 1.00 0.00 C ATOM 191 CG PHE A 606 2.039 -2.817 -3.782 1.00 0.00 C ATOM 192 CD1 PHE A 606 2.983 -2.069 -3.098 1.00 0.00 C ATOM 193 CD2 PHE A 606 1.480 -3.919 -3.154 1.00 0.00 C ATOM 194 CE1 PHE A 606 3.362 -2.412 -1.814 1.00 0.00 C ATOM 195 CE2 PHE A 606 1.855 -4.268 -1.871 1.00 0.00 C ATOM 196 CZ PHE A 606 2.798 -3.513 -1.200 1.00 0.00 C ATOM 0 H PHE A 606 3.618 -0.633 -6.005 1.00 0.00 H new ATOM 0 HA PHE A 606 3.172 -3.549 -6.183 1.00 0.00 H new ATOM 0 HB2 PHE A 606 1.241 -1.423 -5.171 1.00 0.00 H new ATOM 0 HB3 PHE A 606 0.812 -3.091 -5.493 1.00 0.00 H new ATOM 0 HD1 PHE A 606 3.428 -1.208 -3.574 1.00 0.00 H new ATOM 0 HD2 PHE A 606 0.742 -4.512 -3.674 1.00 0.00 H new ATOM 0 HE1 PHE A 606 4.098 -1.820 -1.291 1.00 0.00 H new ATOM 0 HE2 PHE A 606 1.412 -5.129 -1.393 1.00 0.00 H new ATOM 0 HZ PHE A 606 3.093 -3.783 -0.197 1.00 0.00 H new ATOM 206 N MET A 607 1.750 -3.289 -8.268 1.00 0.00 N ATOM 207 CA MET A 607 1.211 -3.145 -9.615 1.00 0.00 C ATOM 208 C MET A 607 -0.312 -3.058 -9.585 1.00 0.00 C ATOM 209 O MET A 607 -0.986 -3.468 -10.530 1.00 0.00 O ATOM 210 CB MET A 607 1.649 -4.319 -10.492 1.00 0.00 C ATOM 211 CG MET A 607 1.525 -4.044 -11.982 1.00 0.00 C ATOM 212 SD MET A 607 1.177 -5.534 -12.937 1.00 0.00 S ATOM 213 CE MET A 607 -0.320 -6.106 -12.137 1.00 0.00 C ATOM 0 H MET A 607 1.721 -4.240 -7.902 1.00 0.00 H new ATOM 0 HA MET A 607 1.602 -2.220 -10.038 1.00 0.00 H new ATOM 0 HB2 MET A 607 2.685 -4.567 -10.262 1.00 0.00 H new ATOM 0 HB3 MET A 607 1.048 -5.193 -10.241 1.00 0.00 H new ATOM 0 HG2 MET A 607 0.730 -3.317 -12.148 1.00 0.00 H new ATOM 0 HG3 MET A 607 2.450 -3.594 -12.343 1.00 0.00 H new ATOM 0 HE1 MET A 607 -0.758 -6.915 -12.721 1.00 0.00 H new ATOM 0 HE2 MET A 607 -0.082 -6.468 -11.137 1.00 0.00 H new ATOM 0 HE3 MET A 607 -1.032 -5.283 -12.066 1.00 0.00 H new ATOM 223 N ARG A 608 -0.848 -2.521 -8.493 1.00 0.00 N ATOM 224 CA ARG A 608 -2.291 -2.378 -8.339 1.00 0.00 C ATOM 225 C ARG A 608 -2.627 -1.645 -7.044 1.00 0.00 C ATOM 226 O ARG A 608 -1.976 -1.846 -6.019 1.00 0.00 O ATOM 227 CB ARG A 608 -2.966 -3.753 -8.355 1.00 0.00 C ATOM 228 CG ARG A 608 -4.096 -3.862 -9.367 1.00 0.00 C ATOM 229 CD ARG A 608 -5.362 -4.419 -8.736 1.00 0.00 C ATOM 230 NE ARG A 608 -6.566 -3.820 -9.307 1.00 0.00 N ATOM 231 CZ ARG A 608 -7.081 -4.167 -10.484 1.00 0.00 C ATOM 232 NH1 ARG A 608 -6.503 -5.112 -11.216 1.00 0.00 N ATOM 233 NH2 ARG A 608 -8.177 -3.570 -10.931 1.00 0.00 N ATOM 0 H ARG A 608 -0.304 -2.178 -7.702 1.00 0.00 H new ATOM 0 HA ARG A 608 -2.666 -1.789 -9.176 1.00 0.00 H new ATOM 0 HB2 ARG A 608 -2.217 -4.514 -8.575 1.00 0.00 H new ATOM 0 HB3 ARG A 608 -3.357 -3.969 -7.361 1.00 0.00 H new ATOM 0 HG2 ARG A 608 -4.302 -2.879 -9.790 1.00 0.00 H new ATOM 0 HG3 ARG A 608 -3.786 -4.505 -10.191 1.00 0.00 H new ATOM 0 HD2 ARG A 608 -5.393 -5.499 -8.877 1.00 0.00 H new ATOM 0 HD3 ARG A 608 -5.342 -4.238 -7.661 1.00 0.00 H new ATOM 0 HE ARG A 608 -7.040 -3.093 -8.772 1.00 0.00 H new ATOM 0 HH11 ARG A 608 -5.660 -5.576 -10.877 1.00 0.00 H new ATOM 0 HH12 ARG A 608 -6.902 -5.374 -12.117 1.00 0.00 H new ATOM 0 HH21 ARG A 608 -8.626 -2.844 -10.373 1.00 0.00 H new ATOM 0 HH22 ARG A 608 -8.571 -3.837 -11.833 1.00 0.00 H new ATOM 247 N SER A 609 -3.646 -0.795 -7.098 1.00 0.00 N ATOM 248 CA SER A 609 -4.068 -0.031 -5.930 1.00 0.00 C ATOM 249 C SER A 609 -4.972 -0.865 -5.026 1.00 0.00 C ATOM 250 O SER A 609 -5.040 -0.635 -3.819 1.00 0.00 O ATOM 251 CB SER A 609 -4.797 1.242 -6.363 1.00 0.00 C ATOM 252 OG SER A 609 -3.879 2.275 -6.678 1.00 0.00 O ATOM 0 H SER A 609 -4.196 -0.617 -7.939 1.00 0.00 H new ATOM 0 HA SER A 609 -3.176 0.242 -5.367 1.00 0.00 H new ATOM 0 HB2 SER A 609 -5.422 1.030 -7.231 1.00 0.00 H new ATOM 0 HB3 SER A 609 -5.462 1.573 -5.565 1.00 0.00 H new ATOM 0 HG SER A 609 -3.233 1.949 -7.339 1.00 0.00 H new ATOM 258 N ASP A 610 -5.667 -1.832 -5.618 1.00 0.00 N ATOM 259 CA ASP A 610 -6.568 -2.697 -4.864 1.00 0.00 C ATOM 260 C ASP A 610 -5.822 -3.433 -3.755 1.00 0.00 C ATOM 261 O ASP A 610 -6.274 -3.472 -2.611 1.00 0.00 O ATOM 262 CB ASP A 610 -7.240 -3.704 -5.799 1.00 0.00 C ATOM 263 CG ASP A 610 -8.699 -3.929 -5.454 1.00 0.00 C ATOM 264 OD1 ASP A 610 -8.976 -4.743 -4.549 1.00 0.00 O ATOM 265 OD2 ASP A 610 -9.565 -3.291 -6.089 1.00 0.00 O ATOM 0 H ASP A 610 -5.623 -2.036 -6.616 1.00 0.00 H new ATOM 0 HA ASP A 610 -7.332 -2.070 -4.405 1.00 0.00 H new ATOM 0 HB2 ASP A 610 -7.163 -3.349 -6.827 1.00 0.00 H new ATOM 0 HB3 ASP A 610 -6.707 -4.654 -5.749 1.00 0.00 H new ATOM 270 N HIS A 611 -4.680 -4.019 -4.102 1.00 0.00 N ATOM 271 CA HIS A 611 -3.877 -4.754 -3.137 1.00 0.00 C ATOM 272 C HIS A 611 -3.081 -3.804 -2.251 1.00 0.00 C ATOM 273 O HIS A 611 -2.873 -4.070 -1.068 1.00 0.00 O ATOM 274 CB HIS A 611 -2.930 -5.717 -3.854 1.00 0.00 C ATOM 275 CG HIS A 611 -3.623 -6.893 -4.468 1.00 0.00 C ATOM 276 ND1 HIS A 611 -4.316 -7.839 -3.746 1.00 0.00 N ATOM 277 CD2 HIS A 611 -3.724 -7.267 -5.769 1.00 0.00 C ATOM 278 CE1 HIS A 611 -4.804 -8.740 -4.610 1.00 0.00 C ATOM 279 NE2 HIS A 611 -4.473 -8.438 -5.851 1.00 0.00 N ATOM 0 H HIS A 611 -4.292 -3.998 -5.045 1.00 0.00 H new ATOM 0 HA HIS A 611 -4.555 -5.327 -2.504 1.00 0.00 H new ATOM 0 HB2 HIS A 611 -2.394 -5.174 -4.633 1.00 0.00 H new ATOM 0 HB3 HIS A 611 -2.184 -6.075 -3.145 1.00 0.00 H new ATOM 0 HD2 HIS A 611 -3.292 -6.740 -6.607 1.00 0.00 H new ATOM 0 HE1 HIS A 611 -5.392 -9.601 -4.327 1.00 0.00 H new ATOM 0 HE2 HIS A 611 -4.716 -8.955 -6.696 1.00 0.00 H new ATOM 287 N LEU A 612 -2.642 -2.693 -2.831 1.00 0.00 N ATOM 288 CA LEU A 612 -1.873 -1.701 -2.092 1.00 0.00 C ATOM 289 C LEU A 612 -2.677 -1.151 -0.916 1.00 0.00 C ATOM 290 O LEU A 612 -2.112 -0.580 0.017 1.00 0.00 O ATOM 291 CB LEU A 612 -1.452 -0.558 -3.020 1.00 0.00 C ATOM 292 CG LEU A 612 -0.018 -0.064 -2.827 1.00 0.00 C ATOM 293 CD1 LEU A 612 0.285 1.080 -3.782 1.00 0.00 C ATOM 294 CD2 LEU A 612 0.206 0.368 -1.386 1.00 0.00 C ATOM 0 H LEU A 612 -2.806 -2.457 -3.810 1.00 0.00 H new ATOM 0 HA LEU A 612 -0.981 -2.188 -1.699 1.00 0.00 H new ATOM 0 HB2 LEU A 612 -1.572 -0.886 -4.053 1.00 0.00 H new ATOM 0 HB3 LEU A 612 -2.132 0.280 -2.871 1.00 0.00 H new ATOM 0 HG LEU A 612 0.663 -0.885 -3.050 1.00 0.00 H new ATOM 0 HD11 LEU A 612 1.310 1.419 -3.630 1.00 0.00 H new ATOM 0 HD12 LEU A 612 0.164 0.738 -4.810 1.00 0.00 H new ATOM 0 HD13 LEU A 612 -0.402 1.905 -3.591 1.00 0.00 H new ATOM 0 HD21 LEU A 612 1.232 0.717 -1.266 1.00 0.00 H new ATOM 0 HD22 LEU A 612 -0.483 1.175 -1.137 1.00 0.00 H new ATOM 0 HD23 LEU A 612 0.030 -0.478 -0.721 1.00 0.00 H new ATOM 306 N SER A 613 -3.995 -1.324 -0.963 1.00 0.00 N ATOM 307 CA SER A 613 -4.866 -0.842 0.103 1.00 0.00 C ATOM 308 C SER A 613 -4.709 -1.691 1.361 1.00 0.00 C ATOM 309 O SER A 613 -4.665 -1.166 2.474 1.00 0.00 O ATOM 310 CB SER A 613 -6.325 -0.857 -0.356 1.00 0.00 C ATOM 311 OG SER A 613 -7.031 0.264 0.148 1.00 0.00 O ATOM 0 H SER A 613 -4.482 -1.793 -1.726 1.00 0.00 H new ATOM 0 HA SER A 613 -4.576 0.182 0.339 1.00 0.00 H new ATOM 0 HB2 SER A 613 -6.367 -0.857 -1.445 1.00 0.00 H new ATOM 0 HB3 SER A 613 -6.806 -1.775 -0.019 1.00 0.00 H new ATOM 0 HG SER A 613 -7.960 0.231 -0.161 1.00 0.00 H new ATOM 317 N LYS A 614 -4.625 -3.004 1.176 1.00 0.00 N ATOM 318 CA LYS A 614 -4.473 -3.927 2.295 1.00 0.00 C ATOM 319 C LYS A 614 -3.129 -3.727 2.990 1.00 0.00 C ATOM 320 O LYS A 614 -3.007 -3.929 4.198 1.00 0.00 O ATOM 321 CB LYS A 614 -4.598 -5.373 1.811 1.00 0.00 C ATOM 322 CG LYS A 614 -4.826 -6.374 2.932 1.00 0.00 C ATOM 323 CD LYS A 614 -4.090 -7.679 2.674 1.00 0.00 C ATOM 324 CE LYS A 614 -4.946 -8.883 3.033 1.00 0.00 C ATOM 325 NZ LYS A 614 -4.226 -10.165 2.801 1.00 0.00 N ATOM 0 H LYS A 614 -4.660 -3.453 0.261 1.00 0.00 H new ATOM 0 HA LYS A 614 -5.267 -3.720 3.013 1.00 0.00 H new ATOM 0 HB2 LYS A 614 -5.424 -5.440 1.102 1.00 0.00 H new ATOM 0 HB3 LYS A 614 -3.691 -5.646 1.271 1.00 0.00 H new ATOM 0 HG2 LYS A 614 -4.490 -5.946 3.877 1.00 0.00 H new ATOM 0 HG3 LYS A 614 -5.893 -6.571 3.033 1.00 0.00 H new ATOM 0 HD2 LYS A 614 -3.804 -7.735 1.624 1.00 0.00 H new ATOM 0 HD3 LYS A 614 -3.169 -7.700 3.257 1.00 0.00 H new ATOM 0 HE2 LYS A 614 -5.243 -8.818 4.080 1.00 0.00 H new ATOM 0 HE3 LYS A 614 -5.861 -8.868 2.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 614 -4.844 -10.961 3.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 614 -3.964 -10.239 1.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 614 -3.366 -10.191 3.386 1.00 0.00 H new ATOM 339 N HIS A 615 -2.122 -3.336 2.217 1.00 0.00 N ATOM 340 CA HIS A 615 -0.785 -3.115 2.756 1.00 0.00 C ATOM 341 C HIS A 615 -0.761 -1.922 3.708 1.00 0.00 C ATOM 342 O HIS A 615 -0.227 -2.011 4.813 1.00 0.00 O ATOM 343 CB HIS A 615 0.213 -2.894 1.618 1.00 0.00 C ATOM 344 CG HIS A 615 1.642 -2.917 2.064 1.00 0.00 C ATOM 345 ND1 HIS A 615 2.399 -4.063 2.158 1.00 0.00 N ATOM 346 CD2 HIS A 615 2.453 -1.899 2.445 1.00 0.00 C ATOM 347 CE1 HIS A 615 3.620 -3.715 2.585 1.00 0.00 C ATOM 348 NE2 HIS A 615 3.705 -2.412 2.774 1.00 0.00 N ATOM 0 H HIS A 615 -2.206 -3.165 1.215 1.00 0.00 H new ATOM 0 HA HIS A 615 -0.500 -4.004 3.318 1.00 0.00 H new ATOM 0 HB2 HIS A 615 0.065 -3.664 0.861 1.00 0.00 H new ATOM 0 HB3 HIS A 615 0.004 -1.935 1.143 1.00 0.00 H new ATOM 0 HD1 HIS A 615 2.086 -5.009 1.941 1.00 0.00 H new ATOM 0 HD2 HIS A 615 2.173 -0.857 2.487 1.00 0.00 H new ATOM 0 HE1 HIS A 615 4.429 -4.410 2.753 1.00 0.00 H new ATOM 356 N ILE A 616 -1.338 -0.806 3.273 1.00 0.00 N ATOM 357 CA ILE A 616 -1.376 0.402 4.091 1.00 0.00 C ATOM 358 C ILE A 616 -2.090 0.150 5.416 1.00 0.00 C ATOM 359 O ILE A 616 -1.787 0.787 6.425 1.00 0.00 O ATOM 360 CB ILE A 616 -2.072 1.564 3.352 1.00 0.00 C ATOM 361 CG1 ILE A 616 -1.398 1.818 2.002 1.00 0.00 C ATOM 362 CG2 ILE A 616 -2.053 2.827 4.204 1.00 0.00 C ATOM 363 CD1 ILE A 616 0.021 2.329 2.117 1.00 0.00 C ATOM 0 H ILE A 616 -1.785 -0.713 2.361 1.00 0.00 H new ATOM 0 HA ILE A 616 -0.341 0.680 4.289 1.00 0.00 H new ATOM 0 HB ILE A 616 -3.111 1.286 3.173 1.00 0.00 H new ATOM 0 HG12 ILE A 616 -1.396 0.892 1.427 1.00 0.00 H new ATOM 0 HG13 ILE A 616 -1.990 2.540 1.440 1.00 0.00 H new ATOM 0 HG21 ILE A 616 -2.548 3.636 3.667 1.00 0.00 H new ATOM 0 HG22 ILE A 616 -2.576 2.641 5.142 1.00 0.00 H new ATOM 0 HG23 ILE A 616 -1.021 3.109 4.414 1.00 0.00 H new ATOM 0 HD11 ILE A 616 0.433 2.486 1.120 1.00 0.00 H new ATOM 0 HD12 ILE A 616 0.025 3.272 2.664 1.00 0.00 H new ATOM 0 HD13 ILE A 616 0.629 1.598 2.650 1.00 0.00 H new ATOM 375 N LYS A 617 -3.041 -0.779 5.408 1.00 0.00 N ATOM 376 CA LYS A 617 -3.798 -1.111 6.611 1.00 0.00 C ATOM 377 C LYS A 617 -2.865 -1.486 7.760 1.00 0.00 C ATOM 378 O LYS A 617 -2.983 -0.959 8.865 1.00 0.00 O ATOM 379 CB LYS A 617 -4.768 -2.260 6.328 1.00 0.00 C ATOM 380 CG LYS A 617 -6.210 -1.809 6.152 1.00 0.00 C ATOM 381 CD LYS A 617 -6.720 -2.095 4.749 1.00 0.00 C ATOM 382 CE LYS A 617 -7.658 -1.002 4.264 1.00 0.00 C ATOM 383 NZ LYS A 617 -9.016 -1.131 4.860 1.00 0.00 N ATOM 0 H LYS A 617 -3.306 -1.315 4.582 1.00 0.00 H new ATOM 0 HA LYS A 617 -4.367 -0.229 6.905 1.00 0.00 H new ATOM 0 HB2 LYS A 617 -4.447 -2.782 5.427 1.00 0.00 H new ATOM 0 HB3 LYS A 617 -4.718 -2.977 7.147 1.00 0.00 H new ATOM 0 HG2 LYS A 617 -6.842 -2.318 6.880 1.00 0.00 H new ATOM 0 HG3 LYS A 617 -6.285 -0.741 6.356 1.00 0.00 H new ATOM 0 HD2 LYS A 617 -5.876 -2.182 4.065 1.00 0.00 H new ATOM 0 HD3 LYS A 617 -7.239 -3.053 4.738 1.00 0.00 H new ATOM 0 HE2 LYS A 617 -7.241 -0.027 4.518 1.00 0.00 H new ATOM 0 HE3 LYS A 617 -7.733 -1.044 3.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 617 -9.625 -0.367 4.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 617 -9.425 -2.051 4.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 617 -8.948 -1.066 5.896 1.00 0.00 H new ATOM 397 N THR A 618 -1.938 -2.400 7.490 1.00 0.00 N ATOM 398 CA THR A 618 -0.986 -2.844 8.501 1.00 0.00 C ATOM 399 C THR A 618 -0.019 -1.723 8.868 1.00 0.00 C ATOM 400 O THR A 618 0.459 -1.647 9.999 1.00 0.00 O ATOM 401 CB THR A 618 -0.209 -4.063 8.001 1.00 0.00 C ATOM 402 OG1 THR A 618 0.710 -4.508 8.982 1.00 0.00 O ATOM 403 CG2 THR A 618 0.570 -3.797 6.731 1.00 0.00 C ATOM 0 H THR A 618 -1.826 -2.847 6.580 1.00 0.00 H new ATOM 0 HA THR A 618 -1.546 -3.122 9.394 1.00 0.00 H new ATOM 0 HB THR A 618 -0.964 -4.821 7.793 1.00 0.00 H new ATOM 0 HG1 THR A 618 1.196 -5.289 8.644 1.00 0.00 H new ATOM 0 HG21 THR A 618 1.098 -4.702 6.431 1.00 0.00 H new ATOM 0 HG22 THR A 618 -0.117 -3.498 5.939 1.00 0.00 H new ATOM 0 HG23 THR A 618 1.291 -2.998 6.907 1.00 0.00 H new ATOM 411 N HIS A 619 0.264 -0.854 7.903 1.00 0.00 N ATOM 412 CA HIS A 619 1.174 0.265 8.124 1.00 0.00 C ATOM 413 C HIS A 619 0.624 1.212 9.186 1.00 0.00 C ATOM 414 O HIS A 619 1.368 1.717 10.026 1.00 0.00 O ATOM 415 CB HIS A 619 1.406 1.026 6.816 1.00 0.00 C ATOM 416 CG HIS A 619 2.686 0.664 6.130 1.00 0.00 C ATOM 417 ND1 HIS A 619 3.880 0.457 6.786 1.00 0.00 N ATOM 418 CD2 HIS A 619 2.946 0.472 4.812 1.00 0.00 C ATOM 419 CE1 HIS A 619 4.807 0.155 5.866 1.00 0.00 C ATOM 420 NE2 HIS A 619 4.291 0.150 4.653 1.00 0.00 N ATOM 0 H HIS A 619 -0.123 -0.903 6.961 1.00 0.00 H new ATOM 0 HA HIS A 619 2.124 -0.136 8.477 1.00 0.00 H new ATOM 0 HB2 HIS A 619 0.574 0.831 6.140 1.00 0.00 H new ATOM 0 HB3 HIS A 619 1.405 2.096 7.023 1.00 0.00 H new ATOM 0 HD1 HIS A 619 4.032 0.522 7.793 1.00 0.00 H new ATOM 0 HD2 HIS A 619 2.224 0.556 4.013 1.00 0.00 H new ATOM 0 HE1 HIS A 619 5.842 -0.057 6.090 1.00 0.00 H new ATOM 428 N GLN A 620 -0.683 1.450 9.140 1.00 0.00 N ATOM 429 CA GLN A 620 -1.331 2.339 10.097 1.00 0.00 C ATOM 430 C GLN A 620 -1.650 1.605 11.395 1.00 0.00 C ATOM 431 O GLN A 620 -1.309 2.070 12.483 1.00 0.00 O ATOM 432 CB GLN A 620 -2.614 2.920 9.499 1.00 0.00 C ATOM 433 CG GLN A 620 -2.392 4.199 8.709 1.00 0.00 C ATOM 434 CD GLN A 620 -2.663 5.445 9.530 1.00 0.00 C ATOM 435 OE1 GLN A 620 -1.737 6.133 9.961 1.00 0.00 O ATOM 436 NE2 GLN A 620 -3.938 5.742 9.752 1.00 0.00 N ATOM 0 H GLN A 620 -1.313 1.040 8.451 1.00 0.00 H new ATOM 0 HA GLN A 620 -0.641 3.153 10.321 1.00 0.00 H new ATOM 0 HB2 GLN A 620 -3.071 2.175 8.848 1.00 0.00 H new ATOM 0 HB3 GLN A 620 -3.323 3.118 10.303 1.00 0.00 H new ATOM 0 HG2 GLN A 620 -1.365 4.224 8.346 1.00 0.00 H new ATOM 0 HG3 GLN A 620 -3.040 4.198 7.833 1.00 0.00 H new ATOM 0 HE21 GLN A 620 -4.674 5.144 9.376 1.00 0.00 H new ATOM 0 HE22 GLN A 620 -4.182 6.568 10.299 1.00 0.00 H new ATOM 445 N ASN A 621 -2.305 0.455 11.274 1.00 0.00 N ATOM 446 CA ASN A 621 -2.670 -0.344 12.438 1.00 0.00 C ATOM 447 C ASN A 621 -3.608 0.431 13.357 1.00 0.00 C ATOM 448 O ASN A 621 -3.170 1.064 14.318 1.00 0.00 O ATOM 449 CB ASN A 621 -1.416 -0.765 13.207 1.00 0.00 C ATOM 450 CG ASN A 621 -1.701 -1.846 14.231 1.00 0.00 C ATOM 451 OD1 ASN A 621 -1.649 -1.604 15.437 1.00 0.00 O ATOM 452 ND2 ASN A 621 -2.004 -3.047 13.754 1.00 0.00 N ATOM 0 H ASN A 621 -2.594 0.055 10.381 1.00 0.00 H new ATOM 0 HA ASN A 621 -3.189 -1.236 12.087 1.00 0.00 H new ATOM 0 HB2 ASN A 621 -0.665 -1.124 12.503 1.00 0.00 H new ATOM 0 HB3 ASN A 621 -0.992 0.105 13.709 1.00 0.00 H new ATOM 0 HD21 ASN A 621 -2.205 -3.814 14.395 1.00 0.00 H new ATOM 0 HD22 ASN A 621 -2.036 -3.202 12.746 1.00 0.00 H new ATOM 459 N LYS A 622 -4.902 0.378 13.056 1.00 0.00 N ATOM 460 CA LYS A 622 -5.903 1.075 13.855 1.00 0.00 C ATOM 461 C LYS A 622 -6.166 0.338 15.164 1.00 0.00 C ATOM 462 O LYS A 622 -6.445 -0.862 15.167 1.00 0.00 O ATOM 463 CB LYS A 622 -7.205 1.219 13.066 1.00 0.00 C ATOM 464 CG LYS A 622 -8.004 2.460 13.430 1.00 0.00 C ATOM 465 CD LYS A 622 -9.159 2.128 14.360 1.00 0.00 C ATOM 466 CE LYS A 622 -10.004 3.355 14.659 1.00 0.00 C ATOM 467 NZ LYS A 622 -11.152 3.481 13.719 1.00 0.00 N ATOM 0 H LYS A 622 -5.282 -0.141 12.264 1.00 0.00 H new ATOM 0 HA LYS A 622 -5.517 2.067 14.090 1.00 0.00 H new ATOM 0 HB2 LYS A 622 -6.974 1.246 12.001 1.00 0.00 H new ATOM 0 HB3 LYS A 622 -7.822 0.337 13.236 1.00 0.00 H new ATOM 0 HG2 LYS A 622 -7.349 3.188 13.908 1.00 0.00 H new ATOM 0 HG3 LYS A 622 -8.389 2.925 12.522 1.00 0.00 H new ATOM 0 HD2 LYS A 622 -9.782 1.357 13.907 1.00 0.00 H new ATOM 0 HD3 LYS A 622 -8.771 1.717 15.292 1.00 0.00 H new ATOM 0 HE2 LYS A 622 -10.377 3.299 15.682 1.00 0.00 H new ATOM 0 HE3 LYS A 622 -9.383 4.248 14.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 622 -11.703 4.330 13.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 622 -10.796 3.560 12.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 622 -11.759 2.640 13.798 1.00 0.00 H new ATOM 481 N LYS A 623 -6.076 1.063 16.274 1.00 0.00 N ATOM 482 CA LYS A 623 -6.305 0.478 17.590 1.00 0.00 C ATOM 483 C LYS A 623 -7.626 0.964 18.180 1.00 0.00 C ATOM 484 O LYS A 623 -8.080 0.371 19.180 1.00 0.00 O ATOM 485 CB LYS A 623 -5.151 0.826 18.533 1.00 0.00 C ATOM 486 CG LYS A 623 -4.096 -0.264 18.630 1.00 0.00 C ATOM 487 CD LYS A 623 -4.232 -1.060 19.918 1.00 0.00 C ATOM 488 CE LYS A 623 -5.351 -2.085 19.824 1.00 0.00 C ATOM 489 NZ LYS A 623 -6.117 -2.190 21.097 1.00 0.00 N ATOM 490 OXT LYS A 623 -8.194 1.935 17.636 1.00 0.00 O ATOM 0 H LYS A 623 -5.846 2.057 16.288 1.00 0.00 H new ATOM 0 HA LYS A 623 -6.357 -0.605 17.475 1.00 0.00 H new ATOM 0 HB2 LYS A 623 -4.679 1.748 18.192 1.00 0.00 H new ATOM 0 HB3 LYS A 623 -5.552 1.022 19.528 1.00 0.00 H new ATOM 0 HG2 LYS A 623 -4.185 -0.935 17.776 1.00 0.00 H new ATOM 0 HG3 LYS A 623 -3.103 0.184 18.581 1.00 0.00 H new ATOM 0 HD2 LYS A 623 -3.291 -1.566 20.135 1.00 0.00 H new ATOM 0 HD3 LYS A 623 -4.428 -0.381 20.748 1.00 0.00 H new ATOM 0 HE2 LYS A 623 -6.028 -1.810 19.015 1.00 0.00 H new ATOM 0 HE3 LYS A 623 -4.931 -3.059 19.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 623 -6.870 -2.899 20.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 623 -5.477 -2.477 21.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 623 -6.539 -1.267 21.325 1.00 0.00 H new TER 504 LYS A 623 HETATM 505 ZN ZN A 100 4.531 -0.579 2.804 1.00 0.00 ZN