USER MOD reduce.3.24.130724 H: found=0, std=0, add=386, rem=0, adj=8 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 28:sc= 0.253 USER MOD Single : A 571 LYS NZ :NH3+ -177:sc= 1.08 (180deg=1.07) USER MOD Single : A 577 GLN : amide:sc= 0.951 K(o=0.95,f=0) USER MOD Single : A 578 SER OG : rot 80:sc= 1.92 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=-0.4) USER MOD Single : A 585 HIS : no HD1:sc= 0.226 K(o=0.23,f=-2.5!) USER MOD Single : A 586 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 587 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 592 SER OG : rot -30:sc= 0.0625 USER MOD Single : A 606 CYS SG : rot 59:sc= 0.101 USER MOD Single : A 608 TYR OH : rot 0:sc= 0.543 USER MOD Single : A 611 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 566 0.445 -18.677 -10.412 1.00 0.00 N ATOM 2 CA THR A 566 1.081 -17.531 -9.712 1.00 0.00 C ATOM 3 C THR A 566 0.361 -16.220 -10.012 1.00 0.00 C ATOM 4 O THR A 566 -0.309 -15.699 -9.122 1.00 0.00 O ATOM 5 CB THR A 566 2.585 -17.443 -9.996 1.00 0.00 C ATOM 6 OG1 THR A 566 3.150 -18.718 -9.786 1.00 0.00 O ATOM 7 CG2 THR A 566 3.311 -16.472 -9.065 1.00 0.00 C ATOM 0 HA THR A 566 0.979 -17.714 -8.642 1.00 0.00 H new ATOM 0 HB THR A 566 2.700 -17.089 -11.020 1.00 0.00 H new ATOM 0 HG1 THR A 566 2.472 -19.407 -9.947 1.00 0.00 H new ATOM 0 HG21 THR A 566 4.372 -16.453 -9.315 1.00 0.00 H new ATOM 0 HG22 THR A 566 2.892 -15.473 -9.183 1.00 0.00 H new ATOM 0 HG23 THR A 566 3.187 -16.797 -8.032 1.00 0.00 H new ATOM 15 N ASP A 567 0.440 -15.711 -11.254 1.00 0.00 N ATOM 16 CA ASP A 567 -0.101 -14.410 -11.710 1.00 0.00 C ATOM 17 C ASP A 567 0.500 -13.165 -11.004 1.00 0.00 C ATOM 18 O ASP A 567 1.173 -13.260 -9.974 1.00 0.00 O ATOM 19 CB ASP A 567 -1.646 -14.454 -11.707 1.00 0.00 C ATOM 20 CG ASP A 567 -2.321 -13.342 -12.531 1.00 0.00 C ATOM 21 OD1 ASP A 567 -1.703 -12.827 -13.494 1.00 0.00 O ATOM 22 OD2 ASP A 567 -3.491 -13.000 -12.234 1.00 0.00 O ATOM 0 H ASP A 567 0.905 -16.218 -12.007 1.00 0.00 H new ATOM 0 HA ASP A 567 0.231 -14.269 -12.738 1.00 0.00 H new ATOM 0 HB2 ASP A 567 -1.970 -15.421 -12.092 1.00 0.00 H new ATOM 0 HB3 ASP A 567 -1.996 -14.388 -10.677 1.00 0.00 H new ATOM 27 N GLU A 568 0.303 -11.979 -11.586 1.00 0.00 N ATOM 28 CA GLU A 568 0.780 -10.691 -11.051 1.00 0.00 C ATOM 29 C GLU A 568 -0.136 -10.103 -9.954 1.00 0.00 C ATOM 30 O GLU A 568 -1.288 -10.518 -9.787 1.00 0.00 O ATOM 31 CB GLU A 568 1.030 -9.696 -12.201 1.00 0.00 C ATOM 32 CG GLU A 568 -0.241 -9.242 -12.933 1.00 0.00 C ATOM 33 CD GLU A 568 0.103 -8.265 -14.075 1.00 0.00 C ATOM 34 OE1 GLU A 568 0.387 -8.721 -15.210 1.00 0.00 O ATOM 35 OE2 GLU A 568 0.089 -7.031 -13.847 1.00 0.00 O ATOM 0 H GLU A 568 -0.205 -11.880 -12.465 1.00 0.00 H new ATOM 0 HA GLU A 568 1.728 -10.883 -10.549 1.00 0.00 H new ATOM 0 HB2 GLU A 568 1.538 -8.818 -11.802 1.00 0.00 H new ATOM 0 HB3 GLU A 568 1.706 -10.155 -12.922 1.00 0.00 H new ATOM 0 HG2 GLU A 568 -0.763 -10.110 -13.336 1.00 0.00 H new ATOM 0 HG3 GLU A 568 -0.919 -8.760 -12.229 1.00 0.00 H new ATOM 42 N ALA A 569 0.373 -9.111 -9.213 1.00 0.00 N ATOM 43 CA ALA A 569 -0.348 -8.375 -8.179 1.00 0.00 C ATOM 44 C ALA A 569 0.154 -6.927 -8.096 1.00 0.00 C ATOM 45 O ALA A 569 1.352 -6.683 -7.948 1.00 0.00 O ATOM 46 CB ALA A 569 -0.155 -9.063 -6.821 1.00 0.00 C ATOM 0 H ALA A 569 1.335 -8.790 -9.325 1.00 0.00 H new ATOM 0 HA ALA A 569 -1.407 -8.365 -8.437 1.00 0.00 H new ATOM 0 HB1 ALA A 569 -0.695 -8.510 -6.053 1.00 0.00 H new ATOM 0 HB2 ALA A 569 -0.539 -10.082 -6.872 1.00 0.00 H new ATOM 0 HB3 ALA A 569 0.906 -9.087 -6.573 1.00 0.00 H new ATOM 52 N LEU A 570 -0.784 -5.984 -8.160 1.00 0.00 N ATOM 53 CA LEU A 570 -0.626 -4.553 -7.882 1.00 0.00 C ATOM 54 C LEU A 570 -1.939 -4.027 -7.281 1.00 0.00 C ATOM 55 O LEU A 570 -3.007 -4.220 -7.869 1.00 0.00 O ATOM 56 CB LEU A 570 -0.274 -3.780 -9.169 1.00 0.00 C ATOM 57 CG LEU A 570 1.119 -4.084 -9.749 1.00 0.00 C ATOM 58 CD1 LEU A 570 1.293 -3.363 -11.073 1.00 0.00 C ATOM 59 CD2 LEU A 570 2.252 -3.607 -8.844 1.00 0.00 C ATOM 0 H LEU A 570 -1.742 -6.213 -8.426 1.00 0.00 H new ATOM 0 HA LEU A 570 0.192 -4.405 -7.177 1.00 0.00 H new ATOM 0 HB2 LEU A 570 -1.024 -4.006 -9.927 1.00 0.00 H new ATOM 0 HB3 LEU A 570 -0.340 -2.712 -8.963 1.00 0.00 H new ATOM 0 HG LEU A 570 1.172 -5.167 -9.856 1.00 0.00 H new ATOM 0 HD11 LEU A 570 2.281 -3.581 -11.479 1.00 0.00 H new ATOM 0 HD12 LEU A 570 0.530 -3.700 -11.774 1.00 0.00 H new ATOM 0 HD13 LEU A 570 1.194 -2.289 -10.918 1.00 0.00 H new ATOM 0 HD21 LEU A 570 3.211 -3.848 -9.303 1.00 0.00 H new ATOM 0 HD22 LEU A 570 2.177 -2.529 -8.705 1.00 0.00 H new ATOM 0 HD23 LEU A 570 2.178 -4.104 -7.876 1.00 0.00 H new ATOM 71 N LYS A 571 -1.874 -3.382 -6.109 1.00 0.00 N ATOM 72 CA LYS A 571 -3.061 -2.887 -5.388 1.00 0.00 C ATOM 73 C LYS A 571 -3.414 -1.437 -5.766 1.00 0.00 C ATOM 74 O LYS A 571 -2.512 -0.651 -6.076 1.00 0.00 O ATOM 75 CB LYS A 571 -2.911 -3.046 -3.863 1.00 0.00 C ATOM 76 CG LYS A 571 -2.600 -4.490 -3.433 1.00 0.00 C ATOM 77 CD LYS A 571 -3.041 -4.747 -1.985 1.00 0.00 C ATOM 78 CE LYS A 571 -2.620 -6.156 -1.545 1.00 0.00 C ATOM 79 NZ LYS A 571 -3.362 -6.609 -0.339 1.00 0.00 N ATOM 0 H LYS A 571 -0.995 -3.187 -5.630 1.00 0.00 H new ATOM 0 HA LYS A 571 -3.896 -3.511 -5.705 1.00 0.00 H new ATOM 0 HB2 LYS A 571 -2.115 -2.390 -3.512 1.00 0.00 H new ATOM 0 HB3 LYS A 571 -3.831 -2.719 -3.378 1.00 0.00 H new ATOM 0 HG2 LYS A 571 -3.107 -5.188 -4.099 1.00 0.00 H new ATOM 0 HG3 LYS A 571 -1.531 -4.678 -3.529 1.00 0.00 H new ATOM 0 HD2 LYS A 571 -2.596 -4.003 -1.324 1.00 0.00 H new ATOM 0 HD3 LYS A 571 -4.123 -4.640 -1.902 1.00 0.00 H new ATOM 0 HE2 LYS A 571 -2.793 -6.857 -2.361 1.00 0.00 H new ATOM 0 HE3 LYS A 571 -1.550 -6.166 -1.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 571 -3.011 -7.543 -0.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 571 -3.218 -5.928 0.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 571 -4.376 -6.674 -0.559 1.00 0.00 H new ATOM 93 N PRO A 572 -4.703 -1.057 -5.712 1.00 0.00 N ATOM 94 CA PRO A 572 -5.135 0.323 -5.890 1.00 0.00 C ATOM 95 C PRO A 572 -4.756 1.187 -4.679 1.00 0.00 C ATOM 96 O PRO A 572 -4.982 0.812 -3.525 1.00 0.00 O ATOM 97 CB PRO A 572 -6.651 0.260 -6.087 1.00 0.00 C ATOM 98 CG PRO A 572 -7.063 -1.001 -5.326 1.00 0.00 C ATOM 99 CD PRO A 572 -5.846 -1.919 -5.451 1.00 0.00 C ATOM 0 HA PRO A 572 -4.646 0.788 -6.746 1.00 0.00 H new ATOM 0 HB2 PRO A 572 -7.144 1.147 -5.689 1.00 0.00 H new ATOM 0 HB3 PRO A 572 -6.915 0.195 -7.142 1.00 0.00 H new ATOM 0 HG2 PRO A 572 -7.293 -0.781 -4.283 1.00 0.00 H new ATOM 0 HG3 PRO A 572 -7.953 -1.456 -5.759 1.00 0.00 H new ATOM 0 HD2 PRO A 572 -5.698 -2.493 -4.537 1.00 0.00 H new ATOM 0 HD3 PRO A 572 -5.983 -2.637 -6.260 1.00 0.00 H new ATOM 107 N CYS A 573 -4.229 2.375 -4.961 1.00 0.00 N ATOM 108 CA CYS A 573 -3.963 3.436 -3.998 1.00 0.00 C ATOM 109 C CYS A 573 -5.243 3.846 -3.234 1.00 0.00 C ATOM 110 O CYS A 573 -6.281 4.107 -3.854 1.00 0.00 O ATOM 111 CB CYS A 573 -3.384 4.580 -4.826 1.00 0.00 C ATOM 112 SG CYS A 573 -3.177 6.148 -3.909 1.00 0.00 S ATOM 0 H CYS A 573 -3.964 2.635 -5.911 1.00 0.00 H new ATOM 0 HA CYS A 573 -3.269 3.121 -3.219 1.00 0.00 H new ATOM 0 HB2 CYS A 573 -2.415 4.273 -5.220 1.00 0.00 H new ATOM 0 HB3 CYS A 573 -4.034 4.757 -5.683 1.00 0.00 H new ATOM 117 N PRO A 574 -5.206 3.943 -1.897 1.00 0.00 N ATOM 118 CA PRO A 574 -6.366 4.289 -1.075 1.00 0.00 C ATOM 119 C PRO A 574 -6.814 5.759 -1.229 1.00 0.00 C ATOM 120 O PRO A 574 -7.892 6.114 -0.746 1.00 0.00 O ATOM 121 CB PRO A 574 -5.941 3.934 0.355 1.00 0.00 C ATOM 122 CG PRO A 574 -4.435 4.149 0.321 1.00 0.00 C ATOM 123 CD PRO A 574 -4.046 3.687 -1.068 1.00 0.00 C ATOM 0 HA PRO A 574 -7.254 3.738 -1.384 1.00 0.00 H new ATOM 0 HB2 PRO A 574 -6.425 4.575 1.092 1.00 0.00 H new ATOM 0 HB3 PRO A 574 -6.197 2.906 0.610 1.00 0.00 H new ATOM 0 HG2 PRO A 574 -4.175 5.195 0.484 1.00 0.00 H new ATOM 0 HG3 PRO A 574 -3.929 3.570 1.094 1.00 0.00 H new ATOM 0 HD2 PRO A 574 -3.174 4.230 -1.433 1.00 0.00 H new ATOM 0 HD3 PRO A 574 -3.786 2.628 -1.072 1.00 0.00 H new ATOM 131 N ARG A 575 -6.032 6.608 -1.920 1.00 0.00 N ATOM 132 CA ARG A 575 -6.397 7.995 -2.271 1.00 0.00 C ATOM 133 C ARG A 575 -7.025 8.135 -3.662 1.00 0.00 C ATOM 134 O ARG A 575 -8.084 8.754 -3.781 1.00 0.00 O ATOM 135 CB ARG A 575 -5.159 8.899 -2.199 1.00 0.00 C ATOM 136 CG ARG A 575 -4.785 9.355 -0.785 1.00 0.00 C ATOM 137 CD ARG A 575 -3.709 10.447 -0.879 1.00 0.00 C ATOM 138 NE ARG A 575 -3.455 11.089 0.424 1.00 0.00 N ATOM 139 CZ ARG A 575 -2.510 11.973 0.688 1.00 0.00 C ATOM 140 NH1 ARG A 575 -1.617 12.330 -0.192 1.00 0.00 N ATOM 141 NH2 ARG A 575 -2.436 12.519 1.868 1.00 0.00 N ATOM 0 H ARG A 575 -5.107 6.344 -2.258 1.00 0.00 H new ATOM 0 HA ARG A 575 -7.150 8.298 -1.543 1.00 0.00 H new ATOM 0 HB2 ARG A 575 -4.311 8.368 -2.632 1.00 0.00 H new ATOM 0 HB3 ARG A 575 -5.332 9.780 -2.817 1.00 0.00 H new ATOM 0 HG2 ARG A 575 -5.665 9.737 -0.268 1.00 0.00 H new ATOM 0 HG3 ARG A 575 -4.415 8.511 -0.203 1.00 0.00 H new ATOM 0 HD2 ARG A 575 -2.783 10.012 -1.255 1.00 0.00 H new ATOM 0 HD3 ARG A 575 -4.022 11.202 -1.600 1.00 0.00 H new ATOM 0 HE ARG A 575 -4.068 10.825 1.195 1.00 0.00 H new ATOM 0 HH11 ARG A 575 -1.631 11.923 -1.127 1.00 0.00 H new ATOM 0 HH12 ARG A 575 -0.904 13.017 0.054 1.00 0.00 H new ATOM 0 HH21 ARG A 575 -3.109 12.264 2.591 1.00 0.00 H new ATOM 0 HH22 ARG A 575 -1.705 13.201 2.069 1.00 0.00 H new ATOM 155 N CYS A 576 -6.373 7.590 -4.696 1.00 0.00 N ATOM 156 CA CYS A 576 -6.707 7.832 -6.110 1.00 0.00 C ATOM 157 C CYS A 576 -7.022 6.562 -6.930 1.00 0.00 C ATOM 158 O CYS A 576 -7.385 6.655 -8.106 1.00 0.00 O ATOM 159 CB CYS A 576 -5.607 8.705 -6.739 1.00 0.00 C ATOM 160 SG CYS A 576 -4.048 7.807 -6.927 1.00 0.00 S ATOM 0 H CYS A 576 -5.583 6.956 -4.574 1.00 0.00 H new ATOM 0 HA CYS A 576 -7.654 8.371 -6.136 1.00 0.00 H new ATOM 0 HB2 CYS A 576 -5.940 9.060 -7.714 1.00 0.00 H new ATOM 0 HB3 CYS A 576 -5.445 9.586 -6.118 1.00 0.00 H new ATOM 165 N GLN A 577 -6.921 5.382 -6.307 1.00 0.00 N ATOM 166 CA GLN A 577 -7.169 4.055 -6.894 1.00 0.00 C ATOM 167 C GLN A 577 -6.245 3.687 -8.075 1.00 0.00 C ATOM 168 O GLN A 577 -6.483 2.696 -8.771 1.00 0.00 O ATOM 169 CB GLN A 577 -8.672 3.843 -7.185 1.00 0.00 C ATOM 170 CG GLN A 577 -9.609 4.036 -5.976 1.00 0.00 C ATOM 171 CD GLN A 577 -9.648 2.830 -5.038 1.00 0.00 C ATOM 172 OE1 GLN A 577 -10.510 1.965 -5.134 1.00 0.00 O ATOM 173 NE2 GLN A 577 -8.734 2.705 -4.099 1.00 0.00 N ATOM 0 H GLN A 577 -6.649 5.321 -5.326 1.00 0.00 H new ATOM 0 HA GLN A 577 -6.886 3.331 -6.130 1.00 0.00 H new ATOM 0 HB2 GLN A 577 -8.974 4.534 -7.972 1.00 0.00 H new ATOM 0 HB3 GLN A 577 -8.811 2.835 -7.575 1.00 0.00 H new ATOM 0 HG2 GLN A 577 -9.289 4.913 -5.414 1.00 0.00 H new ATOM 0 HG3 GLN A 577 -10.617 4.239 -6.336 1.00 0.00 H new ATOM 0 HE21 GLN A 577 -8.006 3.412 -3.999 1.00 0.00 H new ATOM 0 HE22 GLN A 577 -8.754 1.901 -3.472 1.00 0.00 H new ATOM 182 N SER A 578 -5.159 4.439 -8.277 1.00 0.00 N ATOM 183 CA SER A 578 -4.101 4.130 -9.251 1.00 0.00 C ATOM 184 C SER A 578 -3.341 2.851 -8.858 1.00 0.00 C ATOM 185 O SER A 578 -3.211 2.586 -7.658 1.00 0.00 O ATOM 186 CB SER A 578 -3.103 5.293 -9.339 1.00 0.00 C ATOM 187 OG SER A 578 -3.776 6.523 -9.540 1.00 0.00 O ATOM 0 H SER A 578 -4.985 5.299 -7.758 1.00 0.00 H new ATOM 0 HA SER A 578 -4.579 3.976 -10.219 1.00 0.00 H new ATOM 0 HB2 SER A 578 -2.514 5.342 -8.423 1.00 0.00 H new ATOM 0 HB3 SER A 578 -2.405 5.118 -10.158 1.00 0.00 H new ATOM 0 HG SER A 578 -4.125 6.849 -8.684 1.00 0.00 H new ATOM 193 N PRO A 579 -2.798 2.063 -9.807 1.00 0.00 N ATOM 194 CA PRO A 579 -1.945 0.917 -9.493 1.00 0.00 C ATOM 195 C PRO A 579 -0.643 1.393 -8.836 1.00 0.00 C ATOM 196 O PRO A 579 0.245 1.964 -9.476 1.00 0.00 O ATOM 197 CB PRO A 579 -1.703 0.190 -10.820 1.00 0.00 C ATOM 198 CG PRO A 579 -1.837 1.313 -11.848 1.00 0.00 C ATOM 199 CD PRO A 579 -2.913 2.218 -11.248 1.00 0.00 C ATOM 0 HA PRO A 579 -2.409 0.238 -8.778 1.00 0.00 H new ATOM 0 HB2 PRO A 579 -0.717 -0.274 -10.854 1.00 0.00 H new ATOM 0 HB3 PRO A 579 -2.434 -0.601 -10.987 1.00 0.00 H new ATOM 0 HG2 PRO A 579 -0.896 1.845 -11.986 1.00 0.00 H new ATOM 0 HG3 PRO A 579 -2.133 0.930 -12.825 1.00 0.00 H new ATOM 0 HD2 PRO A 579 -2.761 3.256 -11.544 1.00 0.00 H new ATOM 0 HD3 PRO A 579 -3.905 1.930 -11.595 1.00 0.00 H new ATOM 207 N ALA A 580 -0.546 1.164 -7.534 1.00 0.00 N ATOM 208 CA ALA A 580 0.616 1.491 -6.716 1.00 0.00 C ATOM 209 C ALA A 580 1.702 0.406 -6.832 1.00 0.00 C ATOM 210 O ALA A 580 1.391 -0.776 -7.007 1.00 0.00 O ATOM 211 CB ALA A 580 0.129 1.684 -5.279 1.00 0.00 C ATOM 0 H ALA A 580 -1.299 0.731 -6.999 1.00 0.00 H new ATOM 0 HA ALA A 580 1.086 2.411 -7.064 1.00 0.00 H new ATOM 0 HB1 ALA A 580 0.975 1.931 -4.638 1.00 0.00 H new ATOM 0 HB2 ALA A 580 -0.599 2.495 -5.247 1.00 0.00 H new ATOM 0 HB3 ALA A 580 -0.337 0.764 -4.926 1.00 0.00 H new ATOM 217 N LYS A 581 2.977 0.792 -6.691 1.00 0.00 N ATOM 218 CA LYS A 581 4.125 -0.125 -6.633 1.00 0.00 C ATOM 219 C LYS A 581 3.989 -1.010 -5.396 1.00 0.00 C ATOM 220 O LYS A 581 4.147 -0.539 -4.268 1.00 0.00 O ATOM 221 CB LYS A 581 5.442 0.672 -6.623 1.00 0.00 C ATOM 222 CG LYS A 581 6.659 -0.240 -6.847 1.00 0.00 C ATOM 223 CD LYS A 581 7.955 0.581 -6.906 1.00 0.00 C ATOM 224 CE LYS A 581 9.159 -0.346 -7.119 1.00 0.00 C ATOM 225 NZ LYS A 581 10.428 0.420 -7.232 1.00 0.00 N ATOM 0 H LYS A 581 3.246 1.773 -6.612 1.00 0.00 H new ATOM 0 HA LYS A 581 4.141 -0.764 -7.516 1.00 0.00 H new ATOM 0 HB2 LYS A 581 5.411 1.436 -7.400 1.00 0.00 H new ATOM 0 HB3 LYS A 581 5.546 1.191 -5.670 1.00 0.00 H new ATOM 0 HG2 LYS A 581 6.723 -0.972 -6.042 1.00 0.00 H new ATOM 0 HG3 LYS A 581 6.535 -0.798 -7.775 1.00 0.00 H new ATOM 0 HD2 LYS A 581 7.898 1.307 -7.717 1.00 0.00 H new ATOM 0 HD3 LYS A 581 8.080 1.145 -5.981 1.00 0.00 H new ATOM 0 HE2 LYS A 581 9.230 -1.048 -6.288 1.00 0.00 H new ATOM 0 HE3 LYS A 581 9.008 -0.937 -8.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 581 11.220 -0.239 -7.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 581 10.369 1.072 -8.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 581 10.584 0.964 -6.359 1.00 0.00 H new ATOM 239 N TYR A 582 3.649 -2.276 -5.614 1.00 0.00 N ATOM 240 CA TYR A 582 3.335 -3.226 -4.552 1.00 0.00 C ATOM 241 C TYR A 582 4.612 -3.854 -3.979 1.00 0.00 C ATOM 242 O TYR A 582 5.499 -4.275 -4.725 1.00 0.00 O ATOM 243 CB TYR A 582 2.373 -4.283 -5.111 1.00 0.00 C ATOM 244 CG TYR A 582 1.834 -5.302 -4.136 1.00 0.00 C ATOM 245 CD1 TYR A 582 1.497 -4.944 -2.818 1.00 0.00 C ATOM 246 CD2 TYR A 582 1.643 -6.622 -4.580 1.00 0.00 C ATOM 247 CE1 TYR A 582 1.006 -5.918 -1.933 1.00 0.00 C ATOM 248 CE2 TYR A 582 1.136 -7.598 -3.698 1.00 0.00 C ATOM 249 CZ TYR A 582 0.808 -7.243 -2.371 1.00 0.00 C ATOM 250 OH TYR A 582 0.289 -8.160 -1.510 1.00 0.00 O ATOM 0 H TYR A 582 3.583 -2.678 -6.549 1.00 0.00 H new ATOM 0 HA TYR A 582 2.850 -2.710 -3.723 1.00 0.00 H new ATOM 0 HB2 TYR A 582 1.527 -3.766 -5.563 1.00 0.00 H new ATOM 0 HB3 TYR A 582 2.885 -4.817 -5.912 1.00 0.00 H new ATOM 0 HD1 TYR A 582 1.616 -3.923 -2.487 1.00 0.00 H new ATOM 0 HD2 TYR A 582 1.885 -6.889 -5.598 1.00 0.00 H new ATOM 0 HE1 TYR A 582 0.779 -5.650 -0.912 1.00 0.00 H new ATOM 0 HE2 TYR A 582 0.999 -8.614 -4.036 1.00 0.00 H new ATOM 0 HH TYR A 582 0.213 -9.026 -1.962 1.00 0.00 H new ATOM 260 N GLN A 583 4.700 -3.919 -2.650 1.00 0.00 N ATOM 261 CA GLN A 583 5.860 -4.408 -1.903 1.00 0.00 C ATOM 262 C GLN A 583 5.411 -5.490 -0.896 1.00 0.00 C ATOM 263 O GLN A 583 5.383 -5.238 0.314 1.00 0.00 O ATOM 264 CB GLN A 583 6.580 -3.220 -1.227 1.00 0.00 C ATOM 265 CG GLN A 583 6.735 -1.948 -2.092 1.00 0.00 C ATOM 266 CD GLN A 583 7.650 -0.888 -1.477 1.00 0.00 C ATOM 267 OE1 GLN A 583 8.157 -0.992 -0.368 1.00 0.00 O ATOM 268 NE2 GLN A 583 7.898 0.191 -2.186 1.00 0.00 N ATOM 0 H GLN A 583 3.937 -3.622 -2.042 1.00 0.00 H new ATOM 0 HA GLN A 583 6.578 -4.876 -2.577 1.00 0.00 H new ATOM 0 HB2 GLN A 583 6.034 -2.956 -0.321 1.00 0.00 H new ATOM 0 HB3 GLN A 583 7.572 -3.549 -0.917 1.00 0.00 H new ATOM 0 HG2 GLN A 583 7.128 -2.230 -3.069 1.00 0.00 H new ATOM 0 HG3 GLN A 583 5.750 -1.511 -2.258 1.00 0.00 H new ATOM 0 HE21 GLN A 583 7.486 0.298 -3.113 1.00 0.00 H new ATOM 0 HE22 GLN A 583 8.503 0.921 -1.809 1.00 0.00 H new ATOM 277 N PRO A 584 5.011 -6.694 -1.355 1.00 0.00 N ATOM 278 CA PRO A 584 4.470 -7.754 -0.492 1.00 0.00 C ATOM 279 C PRO A 584 5.471 -8.253 0.564 1.00 0.00 C ATOM 280 O PRO A 584 5.072 -8.657 1.657 1.00 0.00 O ATOM 281 CB PRO A 584 4.054 -8.882 -1.445 1.00 0.00 C ATOM 282 CG PRO A 584 4.900 -8.650 -2.696 1.00 0.00 C ATOM 283 CD PRO A 584 5.040 -7.134 -2.743 1.00 0.00 C ATOM 0 HA PRO A 584 3.632 -7.375 0.093 1.00 0.00 H new ATOM 0 HB2 PRO A 584 4.248 -9.862 -1.010 1.00 0.00 H new ATOM 0 HB3 PRO A 584 2.989 -8.839 -1.672 1.00 0.00 H new ATOM 0 HG2 PRO A 584 5.870 -9.142 -2.624 1.00 0.00 H new ATOM 0 HG3 PRO A 584 4.412 -9.038 -3.590 1.00 0.00 H new ATOM 0 HD2 PRO A 584 5.972 -6.841 -3.227 1.00 0.00 H new ATOM 0 HD3 PRO A 584 4.228 -6.683 -3.314 1.00 0.00 H new ATOM 291 N HIS A 585 6.774 -8.158 0.281 1.00 0.00 N ATOM 292 CA HIS A 585 7.878 -8.451 1.206 1.00 0.00 C ATOM 293 C HIS A 585 8.029 -7.427 2.348 1.00 0.00 C ATOM 294 O HIS A 585 8.667 -7.728 3.359 1.00 0.00 O ATOM 295 CB HIS A 585 9.178 -8.563 0.390 1.00 0.00 C ATOM 296 CG HIS A 585 9.598 -7.305 -0.344 1.00 0.00 C ATOM 297 ND1 HIS A 585 8.767 -6.480 -1.113 1.00 0.00 N ATOM 298 CD2 HIS A 585 10.876 -6.834 -0.427 1.00 0.00 C ATOM 299 CE1 HIS A 585 9.566 -5.536 -1.639 1.00 0.00 C ATOM 300 NE2 HIS A 585 10.836 -5.723 -1.242 1.00 0.00 N ATOM 0 H HIS A 585 7.104 -7.862 -0.638 1.00 0.00 H new ATOM 0 HA HIS A 585 7.650 -9.393 1.705 1.00 0.00 H new ATOM 0 HB2 HIS A 585 9.984 -8.857 1.062 1.00 0.00 H new ATOM 0 HB3 HIS A 585 9.061 -9.366 -0.338 1.00 0.00 H new ATOM 0 HD2 HIS A 585 11.749 -7.251 0.053 1.00 0.00 H new ATOM 0 HE1 HIS A 585 9.234 -4.740 -2.289 1.00 0.00 H new ATOM 0 HE2 HIS A 585 11.634 -5.142 -1.500 1.00 0.00 H new ATOM 308 N LYS A 586 7.423 -6.239 2.207 1.00 0.00 N ATOM 309 CA LYS A 586 7.400 -5.142 3.197 1.00 0.00 C ATOM 310 C LYS A 586 5.979 -4.759 3.654 1.00 0.00 C ATOM 311 O LYS A 586 5.822 -3.803 4.414 1.00 0.00 O ATOM 312 CB LYS A 586 8.153 -3.926 2.619 1.00 0.00 C ATOM 313 CG LYS A 586 9.641 -4.225 2.372 1.00 0.00 C ATOM 314 CD LYS A 586 10.378 -2.986 1.850 1.00 0.00 C ATOM 315 CE LYS A 586 11.864 -3.313 1.655 1.00 0.00 C ATOM 316 NZ LYS A 586 12.626 -2.135 1.163 1.00 0.00 N ATOM 0 H LYS A 586 6.909 -6.001 1.359 1.00 0.00 H new ATOM 0 HA LYS A 586 7.903 -5.496 4.097 1.00 0.00 H new ATOM 0 HB2 LYS A 586 7.685 -3.623 1.682 1.00 0.00 H new ATOM 0 HB3 LYS A 586 8.063 -3.085 3.307 1.00 0.00 H new ATOM 0 HG2 LYS A 586 10.105 -4.564 3.298 1.00 0.00 H new ATOM 0 HG3 LYS A 586 9.736 -5.038 1.652 1.00 0.00 H new ATOM 0 HD2 LYS A 586 9.940 -2.661 0.906 1.00 0.00 H new ATOM 0 HD3 LYS A 586 10.266 -2.161 2.554 1.00 0.00 H new ATOM 0 HE2 LYS A 586 12.289 -3.653 2.600 1.00 0.00 H new ATOM 0 HE3 LYS A 586 11.966 -4.134 0.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 586 13.626 -2.394 1.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 586 12.236 -1.826 0.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 586 12.549 -1.360 1.852 1.00 0.00 H new ATOM 330 N LYS A 587 4.949 -5.469 3.164 1.00 0.00 N ATOM 331 CA LYS A 587 3.509 -5.153 3.301 1.00 0.00 C ATOM 332 C LYS A 587 3.184 -3.669 3.041 1.00 0.00 C ATOM 333 O LYS A 587 2.378 -3.049 3.738 1.00 0.00 O ATOM 334 CB LYS A 587 2.966 -5.725 4.628 1.00 0.00 C ATOM 335 CG LYS A 587 2.660 -7.222 4.472 1.00 0.00 C ATOM 336 CD LYS A 587 2.330 -7.881 5.816 1.00 0.00 C ATOM 337 CE LYS A 587 1.678 -9.247 5.565 1.00 0.00 C ATOM 338 NZ LYS A 587 1.639 -10.078 6.799 1.00 0.00 N ATOM 0 H LYS A 587 5.102 -6.326 2.632 1.00 0.00 H new ATOM 0 HA LYS A 587 2.963 -5.658 2.504 1.00 0.00 H new ATOM 0 HB2 LYS A 587 3.697 -5.576 5.423 1.00 0.00 H new ATOM 0 HB3 LYS A 587 2.063 -5.190 4.921 1.00 0.00 H new ATOM 0 HG2 LYS A 587 1.821 -7.352 3.788 1.00 0.00 H new ATOM 0 HG3 LYS A 587 3.518 -7.723 4.023 1.00 0.00 H new ATOM 0 HD2 LYS A 587 3.238 -8.002 6.407 1.00 0.00 H new ATOM 0 HD3 LYS A 587 1.657 -7.244 6.391 1.00 0.00 H new ATOM 0 HE2 LYS A 587 0.664 -9.102 5.192 1.00 0.00 H new ATOM 0 HE3 LYS A 587 2.230 -9.776 4.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 587 1.191 -10.993 6.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 587 2.608 -10.238 7.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 587 1.090 -9.585 7.532 1.00 0.00 H new ATOM 352 N ARG A 588 3.824 -3.106 2.013 1.00 0.00 N ATOM 353 CA ARG A 588 3.808 -1.674 1.673 1.00 0.00 C ATOM 354 C ARG A 588 3.342 -1.449 0.233 1.00 0.00 C ATOM 355 O ARG A 588 3.532 -2.309 -0.626 1.00 0.00 O ATOM 356 CB ARG A 588 5.212 -1.113 1.958 1.00 0.00 C ATOM 357 CG ARG A 588 5.309 0.412 1.953 1.00 0.00 C ATOM 358 CD ARG A 588 6.709 0.823 2.413 1.00 0.00 C ATOM 359 NE ARG A 588 6.897 2.279 2.324 1.00 0.00 N ATOM 360 CZ ARG A 588 8.024 2.930 2.119 1.00 0.00 C ATOM 361 NH1 ARG A 588 9.137 2.323 1.810 1.00 0.00 N ATOM 362 NH2 ARG A 588 8.051 4.223 2.226 1.00 0.00 N ATOM 0 H ARG A 588 4.391 -3.654 1.366 1.00 0.00 H new ATOM 0 HA ARG A 588 3.085 -1.135 2.286 1.00 0.00 H new ATOM 0 HB2 ARG A 588 5.544 -1.480 2.929 1.00 0.00 H new ATOM 0 HB3 ARG A 588 5.903 -1.509 1.214 1.00 0.00 H new ATOM 0 HG2 ARG A 588 5.113 0.799 0.953 1.00 0.00 H new ATOM 0 HG3 ARG A 588 4.555 0.839 2.614 1.00 0.00 H new ATOM 0 HD2 ARG A 588 6.866 0.496 3.441 1.00 0.00 H new ATOM 0 HD3 ARG A 588 7.457 0.320 1.801 1.00 0.00 H new ATOM 0 HE ARG A 588 6.059 2.850 2.434 1.00 0.00 H new ATOM 0 HH11 ARG A 588 9.156 1.307 1.719 1.00 0.00 H new ATOM 0 HH12 ARG A 588 9.988 2.864 1.659 1.00 0.00 H new ATOM 0 HH21 ARG A 588 7.201 4.733 2.468 1.00 0.00 H new ATOM 0 HH22 ARG A 588 8.922 4.730 2.068 1.00 0.00 H new ATOM 376 N GLY A 589 2.733 -0.301 -0.038 1.00 0.00 N ATOM 377 CA GLY A 589 2.349 0.122 -1.385 1.00 0.00 C ATOM 378 C GLY A 589 2.598 1.620 -1.583 1.00 0.00 C ATOM 379 O GLY A 589 2.263 2.418 -0.706 1.00 0.00 O ATOM 0 H GLY A 589 2.486 0.377 0.683 1.00 0.00 H new ATOM 0 HA2 GLY A 589 2.916 -0.445 -2.123 1.00 0.00 H new ATOM 0 HA3 GLY A 589 1.295 -0.100 -1.553 1.00 0.00 H new ATOM 383 N LEU A 590 3.216 1.993 -2.713 1.00 0.00 N ATOM 384 CA LEU A 590 3.572 3.381 -3.049 1.00 0.00 C ATOM 385 C LEU A 590 2.892 3.858 -4.337 1.00 0.00 C ATOM 386 O LEU A 590 3.068 3.246 -5.392 1.00 0.00 O ATOM 387 CB LEU A 590 5.099 3.540 -3.173 1.00 0.00 C ATOM 388 CG LEU A 590 5.899 3.343 -1.876 1.00 0.00 C ATOM 389 CD1 LEU A 590 7.368 3.691 -2.122 1.00 0.00 C ATOM 390 CD2 LEU A 590 5.371 4.225 -0.748 1.00 0.00 C ATOM 0 H LEU A 590 3.488 1.325 -3.434 1.00 0.00 H new ATOM 0 HA LEU A 590 3.211 4.005 -2.231 1.00 0.00 H new ATOM 0 HB2 LEU A 590 5.461 2.826 -3.913 1.00 0.00 H new ATOM 0 HB3 LEU A 590 5.311 4.536 -3.561 1.00 0.00 H new ATOM 0 HG LEU A 590 5.794 2.300 -1.579 1.00 0.00 H new ATOM 0 HD11 LEU A 590 7.934 3.551 -1.201 1.00 0.00 H new ATOM 0 HD12 LEU A 590 7.771 3.041 -2.898 1.00 0.00 H new ATOM 0 HD13 LEU A 590 7.447 4.730 -2.442 1.00 0.00 H new ATOM 0 HD21 LEU A 590 5.962 4.057 0.152 1.00 0.00 H new ATOM 0 HD22 LEU A 590 5.444 5.272 -1.040 1.00 0.00 H new ATOM 0 HD23 LEU A 590 4.329 3.976 -0.549 1.00 0.00 H new ATOM 402 N CYS A 591 2.142 4.958 -4.266 1.00 0.00 N ATOM 403 CA CYS A 591 1.377 5.483 -5.397 1.00 0.00 C ATOM 404 C CYS A 591 2.265 5.874 -6.601 1.00 0.00 C ATOM 405 O CYS A 591 3.383 6.380 -6.445 1.00 0.00 O ATOM 406 CB CYS A 591 0.538 6.663 -4.910 1.00 0.00 C ATOM 407 SG CYS A 591 -0.638 7.111 -6.205 1.00 0.00 S ATOM 0 H CYS A 591 2.048 5.514 -3.416 1.00 0.00 H new ATOM 0 HA CYS A 591 0.726 4.692 -5.769 1.00 0.00 H new ATOM 0 HB2 CYS A 591 0.009 6.398 -3.994 1.00 0.00 H new ATOM 0 HB3 CYS A 591 1.180 7.511 -4.673 1.00 0.00 H new ATOM 412 N SER A 592 1.736 5.661 -7.809 1.00 0.00 N ATOM 413 CA SER A 592 2.368 6.032 -9.084 1.00 0.00 C ATOM 414 C SER A 592 2.010 7.458 -9.550 1.00 0.00 C ATOM 415 O SER A 592 2.642 7.980 -10.474 1.00 0.00 O ATOM 416 CB SER A 592 1.994 4.990 -10.148 1.00 0.00 C ATOM 417 OG SER A 592 2.840 5.074 -11.285 1.00 0.00 O ATOM 0 H SER A 592 0.829 5.212 -7.934 1.00 0.00 H new ATOM 0 HA SER A 592 3.447 6.040 -8.931 1.00 0.00 H new ATOM 0 HB2 SER A 592 2.060 3.991 -9.718 1.00 0.00 H new ATOM 0 HB3 SER A 592 0.958 5.137 -10.453 1.00 0.00 H new ATOM 0 HG SER A 592 3.147 5.998 -11.397 1.00 0.00 H new ATOM 423 N ARG A 593 1.011 8.108 -8.933 1.00 0.00 N ATOM 424 CA ARG A 593 0.536 9.457 -9.278 1.00 0.00 C ATOM 425 C ARG A 593 1.322 10.519 -8.505 1.00 0.00 C ATOM 426 O ARG A 593 1.269 10.565 -7.277 1.00 0.00 O ATOM 427 CB ARG A 593 -0.981 9.492 -9.023 1.00 0.00 C ATOM 428 CG ARG A 593 -1.628 10.859 -9.293 1.00 0.00 C ATOM 429 CD ARG A 593 -3.155 10.864 -9.090 1.00 0.00 C ATOM 430 NE ARG A 593 -3.827 9.724 -9.741 1.00 0.00 N ATOM 431 CZ ARG A 593 -4.255 9.626 -10.985 1.00 0.00 C ATOM 432 NH1 ARG A 593 -4.244 10.632 -11.814 1.00 0.00 N ATOM 433 NH2 ARG A 593 -4.700 8.485 -11.422 1.00 0.00 N ATOM 0 H ARG A 593 0.495 7.696 -8.155 1.00 0.00 H new ATOM 0 HA ARG A 593 0.710 9.690 -10.329 1.00 0.00 H new ATOM 0 HB2 ARG A 593 -1.462 8.743 -9.652 1.00 0.00 H new ATOM 0 HB3 ARG A 593 -1.172 9.209 -7.988 1.00 0.00 H new ATOM 0 HG2 ARG A 593 -1.179 11.602 -8.634 1.00 0.00 H new ATOM 0 HG3 ARG A 593 -1.404 11.163 -10.315 1.00 0.00 H new ATOM 0 HD2 ARG A 593 -3.374 10.846 -8.022 1.00 0.00 H new ATOM 0 HD3 ARG A 593 -3.565 11.794 -9.484 1.00 0.00 H new ATOM 0 HE ARG A 593 -3.981 8.905 -9.153 1.00 0.00 H new ATOM 0 HH11 ARG A 593 -3.894 11.540 -11.509 1.00 0.00 H new ATOM 0 HH12 ARG A 593 -4.585 10.511 -12.768 1.00 0.00 H new ATOM 0 HH21 ARG A 593 -4.716 7.674 -10.804 1.00 0.00 H new ATOM 0 HH22 ARG A 593 -5.033 8.401 -12.383 1.00 0.00 H new ATOM 447 N LEU A 594 2.020 11.407 -9.218 1.00 0.00 N ATOM 448 CA LEU A 594 2.945 12.388 -8.621 1.00 0.00 C ATOM 449 C LEU A 594 2.240 13.466 -7.773 1.00 0.00 C ATOM 450 O LEU A 594 2.815 13.957 -6.800 1.00 0.00 O ATOM 451 CB LEU A 594 3.794 13.036 -9.734 1.00 0.00 C ATOM 452 CG LEU A 594 4.676 12.066 -10.548 1.00 0.00 C ATOM 453 CD1 LEU A 594 5.448 12.848 -11.611 1.00 0.00 C ATOM 454 CD2 LEU A 594 5.689 11.315 -9.680 1.00 0.00 C ATOM 0 H LEU A 594 1.962 11.470 -10.234 1.00 0.00 H new ATOM 0 HA LEU A 594 3.586 11.843 -7.929 1.00 0.00 H new ATOM 0 HB2 LEU A 594 3.126 13.555 -10.421 1.00 0.00 H new ATOM 0 HB3 LEU A 594 4.437 13.792 -9.283 1.00 0.00 H new ATOM 0 HG LEU A 594 4.005 11.334 -10.998 1.00 0.00 H new ATOM 0 HD11 LEU A 594 6.071 12.163 -12.186 1.00 0.00 H new ATOM 0 HD12 LEU A 594 4.745 13.346 -12.279 1.00 0.00 H new ATOM 0 HD13 LEU A 594 6.079 13.593 -11.127 1.00 0.00 H new ATOM 0 HD21 LEU A 594 6.281 10.648 -10.306 1.00 0.00 H new ATOM 0 HD22 LEU A 594 6.348 12.031 -9.188 1.00 0.00 H new ATOM 0 HD23 LEU A 594 5.160 10.731 -8.926 1.00 0.00 H new ATOM 466 N ALA A 595 0.988 13.804 -8.102 1.00 0.00 N ATOM 467 CA ALA A 595 0.152 14.727 -7.323 1.00 0.00 C ATOM 468 C ALA A 595 -0.432 14.098 -6.034 1.00 0.00 C ATOM 469 O ALA A 595 -0.861 14.822 -5.131 1.00 0.00 O ATOM 470 CB ALA A 595 -0.958 15.245 -8.247 1.00 0.00 C ATOM 0 H ALA A 595 0.519 13.438 -8.931 1.00 0.00 H new ATOM 0 HA ALA A 595 0.777 15.547 -6.970 1.00 0.00 H new ATOM 0 HB1 ALA A 595 -1.598 15.935 -7.696 1.00 0.00 H new ATOM 0 HB2 ALA A 595 -0.512 15.763 -9.096 1.00 0.00 H new ATOM 0 HB3 ALA A 595 -1.554 14.406 -8.606 1.00 0.00 H new ATOM 476 N CYS A 596 -0.448 12.762 -5.950 1.00 0.00 N ATOM 477 CA CYS A 596 -0.995 11.966 -4.850 1.00 0.00 C ATOM 478 C CYS A 596 0.104 11.511 -3.871 1.00 0.00 C ATOM 479 O CYS A 596 0.072 11.869 -2.689 1.00 0.00 O ATOM 480 CB CYS A 596 -1.722 10.802 -5.520 1.00 0.00 C ATOM 481 SG CYS A 596 -2.379 9.590 -4.339 1.00 0.00 S ATOM 0 H CYS A 596 -0.058 12.178 -6.689 1.00 0.00 H new ATOM 0 HA CYS A 596 -1.680 12.542 -4.228 1.00 0.00 H new ATOM 0 HB2 CYS A 596 -2.542 11.193 -6.122 1.00 0.00 H new ATOM 0 HB3 CYS A 596 -1.037 10.299 -6.202 1.00 0.00 H new ATOM 486 N GLY A 597 1.097 10.777 -4.390 1.00 0.00 N ATOM 487 CA GLY A 597 2.342 10.392 -3.709 1.00 0.00 C ATOM 488 C GLY A 597 2.136 9.793 -2.312 1.00 0.00 C ATOM 489 O GLY A 597 2.605 10.360 -1.321 1.00 0.00 O ATOM 0 H GLY A 597 1.052 10.417 -5.343 1.00 0.00 H new ATOM 0 HA2 GLY A 597 2.872 9.668 -4.328 1.00 0.00 H new ATOM 0 HA3 GLY A 597 2.983 11.270 -3.625 1.00 0.00 H new ATOM 493 N PHE A 598 1.411 8.674 -2.224 1.00 0.00 N ATOM 494 CA PHE A 598 0.931 8.085 -0.972 1.00 0.00 C ATOM 495 C PHE A 598 1.682 6.801 -0.606 1.00 0.00 C ATOM 496 O PHE A 598 2.201 6.101 -1.478 1.00 0.00 O ATOM 497 CB PHE A 598 -0.591 7.881 -1.041 1.00 0.00 C ATOM 498 CG PHE A 598 -1.231 7.704 0.326 1.00 0.00 C ATOM 499 CD1 PHE A 598 -1.247 8.775 1.242 1.00 0.00 C ATOM 500 CD2 PHE A 598 -1.790 6.471 0.702 1.00 0.00 C ATOM 501 CE1 PHE A 598 -1.841 8.624 2.510 1.00 0.00 C ATOM 502 CE2 PHE A 598 -2.378 6.320 1.973 1.00 0.00 C ATOM 503 CZ PHE A 598 -2.417 7.393 2.871 1.00 0.00 C ATOM 0 H PHE A 598 1.134 8.138 -3.046 1.00 0.00 H new ATOM 0 HA PHE A 598 1.142 8.783 -0.161 1.00 0.00 H new ATOM 0 HB2 PHE A 598 -1.044 8.738 -1.540 1.00 0.00 H new ATOM 0 HB3 PHE A 598 -0.807 7.005 -1.653 1.00 0.00 H new ATOM 0 HD1 PHE A 598 -0.800 9.720 0.969 1.00 0.00 H new ATOM 0 HD2 PHE A 598 -1.769 5.638 0.015 1.00 0.00 H new ATOM 0 HE1 PHE A 598 -1.854 9.452 3.204 1.00 0.00 H new ATOM 0 HE2 PHE A 598 -2.802 5.368 2.257 1.00 0.00 H new ATOM 0 HZ PHE A 598 -2.887 7.276 3.836 1.00 0.00 H new ATOM 513 N ASP A 599 1.731 6.503 0.692 1.00 0.00 N ATOM 514 CA ASP A 599 2.483 5.398 1.289 1.00 0.00 C ATOM 515 C ASP A 599 1.578 4.652 2.278 1.00 0.00 C ATOM 516 O ASP A 599 1.255 5.178 3.349 1.00 0.00 O ATOM 517 CB ASP A 599 3.738 5.989 1.954 1.00 0.00 C ATOM 518 CG ASP A 599 4.685 4.953 2.574 1.00 0.00 C ATOM 519 OD1 ASP A 599 4.469 3.730 2.440 1.00 0.00 O ATOM 520 OD2 ASP A 599 5.714 5.371 3.153 1.00 0.00 O ATOM 0 H ASP A 599 1.225 7.050 1.388 1.00 0.00 H new ATOM 0 HA ASP A 599 2.804 4.671 0.543 1.00 0.00 H new ATOM 0 HB2 ASP A 599 4.289 6.565 1.211 1.00 0.00 H new ATOM 0 HB3 ASP A 599 3.426 6.687 2.731 1.00 0.00 H new ATOM 525 N PHE A 600 1.126 3.453 1.899 1.00 0.00 N ATOM 526 CA PHE A 600 0.070 2.727 2.607 1.00 0.00 C ATOM 527 C PHE A 600 0.410 1.289 3.010 1.00 0.00 C ATOM 528 O PHE A 600 1.235 0.610 2.393 1.00 0.00 O ATOM 529 CB PHE A 600 -1.224 2.793 1.788 1.00 0.00 C ATOM 530 CG PHE A 600 -1.229 2.065 0.457 1.00 0.00 C ATOM 531 CD1 PHE A 600 -0.842 2.742 -0.715 1.00 0.00 C ATOM 532 CD2 PHE A 600 -1.700 0.742 0.372 1.00 0.00 C ATOM 533 CE1 PHE A 600 -0.946 2.107 -1.963 1.00 0.00 C ATOM 534 CE2 PHE A 600 -1.800 0.104 -0.877 1.00 0.00 C ATOM 535 CZ PHE A 600 -1.432 0.790 -2.046 1.00 0.00 C ATOM 0 H PHE A 600 1.487 2.955 1.085 1.00 0.00 H new ATOM 0 HA PHE A 600 -0.056 3.234 3.564 1.00 0.00 H new ATOM 0 HB2 PHE A 600 -2.033 2.391 2.398 1.00 0.00 H new ATOM 0 HB3 PHE A 600 -1.455 3.842 1.602 1.00 0.00 H new ATOM 0 HD1 PHE A 600 -0.464 3.752 -0.654 1.00 0.00 H new ATOM 0 HD2 PHE A 600 -1.986 0.214 1.270 1.00 0.00 H new ATOM 0 HE1 PHE A 600 -0.652 2.631 -2.861 1.00 0.00 H new ATOM 0 HE2 PHE A 600 -2.159 -0.913 -0.937 1.00 0.00 H new ATOM 0 HZ PHE A 600 -1.522 0.307 -3.008 1.00 0.00 H new ATOM 545 N CYS A 601 -0.285 0.835 4.055 1.00 0.00 N ATOM 546 CA CYS A 601 -0.323 -0.543 4.521 1.00 0.00 C ATOM 547 C CYS A 601 -1.245 -1.379 3.618 1.00 0.00 C ATOM 548 O CYS A 601 -2.424 -1.056 3.436 1.00 0.00 O ATOM 549 CB CYS A 601 -0.818 -0.514 5.967 1.00 0.00 C ATOM 550 SG CYS A 601 -0.994 -2.215 6.614 1.00 0.00 S ATOM 0 H CYS A 601 -0.864 1.453 4.624 1.00 0.00 H new ATOM 0 HA CYS A 601 0.663 -1.007 4.479 1.00 0.00 H new ATOM 0 HB2 CYS A 601 -0.118 0.047 6.587 1.00 0.00 H new ATOM 0 HB3 CYS A 601 -1.776 0.003 6.020 1.00 0.00 H new ATOM 555 N VAL A 602 -0.723 -2.469 3.057 1.00 0.00 N ATOM 556 CA VAL A 602 -1.450 -3.303 2.078 1.00 0.00 C ATOM 557 C VAL A 602 -2.460 -4.267 2.711 1.00 0.00 C ATOM 558 O VAL A 602 -3.169 -4.962 1.979 1.00 0.00 O ATOM 559 CB VAL A 602 -0.488 -4.042 1.129 1.00 0.00 C ATOM 560 CG1 VAL A 602 0.422 -3.044 0.407 1.00 0.00 C ATOM 561 CG2 VAL A 602 0.333 -5.115 1.852 1.00 0.00 C ATOM 0 H VAL A 602 0.217 -2.806 3.263 1.00 0.00 H new ATOM 0 HA VAL A 602 -2.039 -2.602 1.486 1.00 0.00 H new ATOM 0 HB VAL A 602 -1.096 -4.561 0.388 1.00 0.00 H new ATOM 0 HG11 VAL A 602 1.096 -3.582 -0.260 1.00 0.00 H new ATOM 0 HG12 VAL A 602 -0.187 -2.351 -0.174 1.00 0.00 H new ATOM 0 HG13 VAL A 602 1.006 -2.487 1.140 1.00 0.00 H new ATOM 0 HG21 VAL A 602 0.996 -5.607 1.140 1.00 0.00 H new ATOM 0 HG22 VAL A 602 0.927 -4.650 2.639 1.00 0.00 H new ATOM 0 HG23 VAL A 602 -0.339 -5.852 2.292 1.00 0.00 H new ATOM 571 N LEU A 603 -2.543 -4.317 4.046 1.00 0.00 N ATOM 572 CA LEU A 603 -3.513 -5.136 4.783 1.00 0.00 C ATOM 573 C LEU A 603 -4.779 -4.356 5.196 1.00 0.00 C ATOM 574 O LEU A 603 -5.870 -4.931 5.162 1.00 0.00 O ATOM 575 CB LEU A 603 -2.844 -5.743 6.025 1.00 0.00 C ATOM 576 CG LEU A 603 -1.738 -6.781 5.769 1.00 0.00 C ATOM 577 CD1 LEU A 603 -1.296 -7.349 7.118 1.00 0.00 C ATOM 578 CD2 LEU A 603 -2.201 -7.947 4.891 1.00 0.00 C ATOM 0 H LEU A 603 -1.927 -3.779 4.655 1.00 0.00 H new ATOM 0 HA LEU A 603 -3.839 -5.925 4.105 1.00 0.00 H new ATOM 0 HB2 LEU A 603 -2.420 -4.931 6.616 1.00 0.00 H new ATOM 0 HB3 LEU A 603 -3.617 -6.211 6.635 1.00 0.00 H new ATOM 0 HG LEU A 603 -0.928 -6.274 5.244 1.00 0.00 H new ATOM 0 HD11 LEU A 603 -0.511 -8.089 6.962 1.00 0.00 H new ATOM 0 HD12 LEU A 603 -0.915 -6.543 7.745 1.00 0.00 H new ATOM 0 HD13 LEU A 603 -2.146 -7.821 7.610 1.00 0.00 H new ATOM 0 HD21 LEU A 603 -1.376 -8.644 4.747 1.00 0.00 H new ATOM 0 HD22 LEU A 603 -3.030 -8.461 5.377 1.00 0.00 H new ATOM 0 HD23 LEU A 603 -2.527 -7.566 3.923 1.00 0.00 H new ATOM 590 N CYS A 604 -4.646 -3.074 5.573 1.00 0.00 N ATOM 591 CA CYS A 604 -5.741 -2.234 6.094 1.00 0.00 C ATOM 592 C CYS A 604 -6.019 -0.935 5.301 1.00 0.00 C ATOM 593 O CYS A 604 -6.971 -0.211 5.609 1.00 0.00 O ATOM 594 CB CYS A 604 -5.556 -2.003 7.605 1.00 0.00 C ATOM 595 SG CYS A 604 -4.046 -1.096 8.052 1.00 0.00 S ATOM 0 H CYS A 604 -3.755 -2.580 5.524 1.00 0.00 H new ATOM 0 HA CYS A 604 -6.660 -2.799 5.938 1.00 0.00 H new ATOM 0 HB2 CYS A 604 -6.419 -1.455 7.984 1.00 0.00 H new ATOM 0 HB3 CYS A 604 -5.546 -2.970 8.109 1.00 0.00 H new ATOM 600 N LEU A 605 -5.237 -0.670 4.248 1.00 0.00 N ATOM 601 CA LEU A 605 -5.394 0.453 3.304 1.00 0.00 C ATOM 602 C LEU A 605 -5.410 1.847 3.971 1.00 0.00 C ATOM 603 O LEU A 605 -6.030 2.790 3.474 1.00 0.00 O ATOM 604 CB LEU A 605 -6.574 0.183 2.341 1.00 0.00 C ATOM 605 CG LEU A 605 -6.343 -0.965 1.340 1.00 0.00 C ATOM 606 CD1 LEU A 605 -7.622 -1.211 0.539 1.00 0.00 C ATOM 607 CD2 LEU A 605 -5.223 -0.642 0.346 1.00 0.00 C ATOM 0 H LEU A 605 -4.437 -1.259 4.016 1.00 0.00 H new ATOM 0 HA LEU A 605 -4.491 0.499 2.696 1.00 0.00 H new ATOM 0 HB2 LEU A 605 -7.462 -0.042 2.932 1.00 0.00 H new ATOM 0 HB3 LEU A 605 -6.785 1.095 1.783 1.00 0.00 H new ATOM 0 HG LEU A 605 -6.061 -1.845 1.918 1.00 0.00 H new ATOM 0 HD11 LEU A 605 -7.457 -2.023 -0.169 1.00 0.00 H new ATOM 0 HD12 LEU A 605 -8.431 -1.480 1.218 1.00 0.00 H new ATOM 0 HD13 LEU A 605 -7.891 -0.305 -0.004 1.00 0.00 H new ATOM 0 HD21 LEU A 605 -5.094 -1.478 -0.341 1.00 0.00 H new ATOM 0 HD22 LEU A 605 -5.484 0.254 -0.218 1.00 0.00 H new ATOM 0 HD23 LEU A 605 -4.293 -0.471 0.888 1.00 0.00 H new ATOM 619 N CYS A 606 -4.688 1.982 5.084 1.00 0.00 N ATOM 620 CA CYS A 606 -4.412 3.250 5.767 1.00 0.00 C ATOM 621 C CYS A 606 -2.945 3.661 5.556 1.00 0.00 C ATOM 622 O CYS A 606 -2.148 2.892 5.009 1.00 0.00 O ATOM 623 CB CYS A 606 -4.769 3.101 7.255 1.00 0.00 C ATOM 624 SG CYS A 606 -6.544 2.751 7.453 1.00 0.00 S ATOM 0 H CYS A 606 -4.263 1.182 5.553 1.00 0.00 H new ATOM 0 HA CYS A 606 -5.025 4.048 5.348 1.00 0.00 H new ATOM 0 HB2 CYS A 606 -4.182 2.296 7.697 1.00 0.00 H new ATOM 0 HB3 CYS A 606 -4.511 4.015 7.790 1.00 0.00 H new ATOM 0 HG CYS A 606 -6.846 1.663 6.808 1.00 0.00 H new ATOM 630 N ALA A 607 -2.573 4.863 6.005 1.00 0.00 N ATOM 631 CA ALA A 607 -1.185 5.330 5.969 1.00 0.00 C ATOM 632 C ALA A 607 -0.244 4.316 6.652 1.00 0.00 C ATOM 633 O ALA A 607 -0.556 3.779 7.721 1.00 0.00 O ATOM 634 CB ALA A 607 -1.100 6.717 6.619 1.00 0.00 C ATOM 0 H ALA A 607 -3.225 5.539 6.403 1.00 0.00 H new ATOM 0 HA ALA A 607 -0.857 5.414 4.933 1.00 0.00 H new ATOM 0 HB1 ALA A 607 -0.068 7.068 6.594 1.00 0.00 H new ATOM 0 HB2 ALA A 607 -1.734 7.415 6.072 1.00 0.00 H new ATOM 0 HB3 ALA A 607 -1.437 6.655 7.654 1.00 0.00 H new ATOM 640 N TYR A 608 0.891 4.029 6.012 1.00 0.00 N ATOM 641 CA TYR A 608 1.799 2.943 6.385 1.00 0.00 C ATOM 642 C TYR A 608 2.293 3.034 7.839 1.00 0.00 C ATOM 643 O TYR A 608 2.748 4.090 8.290 1.00 0.00 O ATOM 644 CB TYR A 608 2.973 2.938 5.405 1.00 0.00 C ATOM 645 CG TYR A 608 3.955 1.803 5.595 1.00 0.00 C ATOM 646 CD1 TYR A 608 3.570 0.490 5.266 1.00 0.00 C ATOM 647 CD2 TYR A 608 5.268 2.068 6.032 1.00 0.00 C ATOM 648 CE1 TYR A 608 4.517 -0.548 5.298 1.00 0.00 C ATOM 649 CE2 TYR A 608 6.219 1.030 6.065 1.00 0.00 C ATOM 650 CZ TYR A 608 5.853 -0.269 5.653 1.00 0.00 C ATOM 651 OH TYR A 608 6.811 -1.217 5.487 1.00 0.00 O ATOM 0 H TYR A 608 1.212 4.558 5.201 1.00 0.00 H new ATOM 0 HA TYR A 608 1.248 2.004 6.327 1.00 0.00 H new ATOM 0 HB2 TYR A 608 2.580 2.893 4.389 1.00 0.00 H new ATOM 0 HB3 TYR A 608 3.509 3.883 5.498 1.00 0.00 H new ATOM 0 HD1 TYR A 608 2.547 0.280 4.989 1.00 0.00 H new ATOM 0 HD2 TYR A 608 5.545 3.065 6.341 1.00 0.00 H new ATOM 0 HE1 TYR A 608 4.222 -1.557 5.051 1.00 0.00 H new ATOM 0 HE2 TYR A 608 7.225 1.227 6.404 1.00 0.00 H new ATOM 0 HH TYR A 608 6.407 -2.029 5.115 1.00 0.00 H new ATOM 661 N HIS A 609 2.217 1.909 8.560 1.00 0.00 N ATOM 662 CA HIS A 609 2.537 1.806 9.991 1.00 0.00 C ATOM 663 C HIS A 609 3.673 0.810 10.312 1.00 0.00 C ATOM 664 O HIS A 609 3.824 0.367 11.455 1.00 0.00 O ATOM 665 CB HIS A 609 1.242 1.594 10.795 1.00 0.00 C ATOM 666 CG HIS A 609 0.474 0.340 10.455 1.00 0.00 C ATOM 667 ND1 HIS A 609 0.816 -0.941 10.815 1.00 0.00 N ATOM 668 CD2 HIS A 609 -0.720 0.263 9.787 1.00 0.00 C ATOM 669 CE1 HIS A 609 -0.143 -1.771 10.392 1.00 0.00 C ATOM 670 NE2 HIS A 609 -1.111 -1.090 9.732 1.00 0.00 N ATOM 0 H HIS A 609 1.923 1.020 8.154 1.00 0.00 H new ATOM 0 HA HIS A 609 2.967 2.754 10.315 1.00 0.00 H new ATOM 0 HB2 HIS A 609 1.491 1.572 11.856 1.00 0.00 H new ATOM 0 HB3 HIS A 609 0.591 2.454 10.638 1.00 0.00 H new ATOM 0 HD1 HIS A 609 1.659 -1.213 11.320 1.00 0.00 H new ATOM 0 HD2 HIS A 609 -1.268 1.097 9.373 1.00 0.00 H new ATOM 0 HE1 HIS A 609 -0.146 -2.839 10.554 1.00 0.00 H new ATOM 678 N GLY A 610 4.494 0.469 9.311 1.00 0.00 N ATOM 679 CA GLY A 610 5.744 -0.286 9.474 1.00 0.00 C ATOM 680 C GLY A 610 5.584 -1.623 10.209 1.00 0.00 C ATOM 681 O GLY A 610 4.829 -2.498 9.778 1.00 0.00 O ATOM 0 H GLY A 610 4.303 0.717 8.340 1.00 0.00 H new ATOM 0 HA2 GLY A 610 6.171 -0.475 8.489 1.00 0.00 H new ATOM 0 HA3 GLY A 610 6.459 0.331 10.018 1.00 0.00 H new ATOM 685 N SER A 611 6.309 -1.775 11.320 1.00 0.00 N ATOM 686 CA SER A 611 6.353 -3.007 12.136 1.00 0.00 C ATOM 687 C SER A 611 5.164 -3.177 13.100 1.00 0.00 C ATOM 688 O SER A 611 5.052 -4.222 13.746 1.00 0.00 O ATOM 689 CB SER A 611 7.663 -3.052 12.937 1.00 0.00 C ATOM 690 OG SER A 611 8.797 -2.889 12.093 1.00 0.00 O ATOM 0 H SER A 611 6.899 -1.031 11.692 1.00 0.00 H new ATOM 0 HA SER A 611 6.292 -3.833 11.427 1.00 0.00 H new ATOM 0 HB2 SER A 611 7.655 -2.267 13.693 1.00 0.00 H new ATOM 0 HB3 SER A 611 7.735 -4.003 13.465 1.00 0.00 H new ATOM 0 HG SER A 611 9.614 -2.921 12.633 1.00 0.00 H new ATOM 696 N GLU A 612 4.272 -2.187 13.226 1.00 0.00 N ATOM 697 CA GLU A 612 3.054 -2.300 14.047 1.00 0.00 C ATOM 698 C GLU A 612 1.989 -3.203 13.392 1.00 0.00 C ATOM 699 O GLU A 612 1.940 -3.341 12.168 1.00 0.00 O ATOM 700 CB GLU A 612 2.440 -0.919 14.327 1.00 0.00 C ATOM 701 CG GLU A 612 3.335 0.025 15.142 1.00 0.00 C ATOM 702 CD GLU A 612 2.646 1.381 15.411 1.00 0.00 C ATOM 703 OE1 GLU A 612 1.440 1.404 15.766 1.00 0.00 O ATOM 704 OE2 GLU A 612 3.313 2.438 15.292 1.00 0.00 O ATOM 0 H GLU A 612 4.372 -1.284 12.763 1.00 0.00 H new ATOM 0 HA GLU A 612 3.363 -2.758 14.987 1.00 0.00 H new ATOM 0 HB2 GLU A 612 2.202 -0.442 13.376 1.00 0.00 H new ATOM 0 HB3 GLU A 612 1.499 -1.056 14.859 1.00 0.00 H new ATOM 0 HG2 GLU A 612 3.592 -0.447 16.091 1.00 0.00 H new ATOM 0 HG3 GLU A 612 4.269 0.192 14.606 1.00 0.00 H new ATOM 711 N ASP A 613 1.088 -3.772 14.198 1.00 0.00 N ATOM 712 CA ASP A 613 -0.095 -4.505 13.719 1.00 0.00 C ATOM 713 C ASP A 613 -1.232 -3.557 13.285 1.00 0.00 C ATOM 714 O ASP A 613 -1.345 -2.433 13.788 1.00 0.00 O ATOM 715 CB ASP A 613 -0.589 -5.471 14.806 1.00 0.00 C ATOM 716 CG ASP A 613 0.429 -6.584 15.104 1.00 0.00 C ATOM 717 OD1 ASP A 613 0.557 -7.523 14.282 1.00 0.00 O ATOM 718 OD2 ASP A 613 1.089 -6.537 16.171 1.00 0.00 O ATOM 0 H ASP A 613 1.158 -3.738 15.215 1.00 0.00 H new ATOM 0 HA ASP A 613 0.204 -5.072 12.837 1.00 0.00 H new ATOM 0 HB2 ASP A 613 -0.792 -4.913 15.720 1.00 0.00 H new ATOM 0 HB3 ASP A 613 -1.531 -5.919 14.490 1.00 0.00 H new ATOM 723 N CYS A 614 -2.093 -4.019 12.373 1.00 0.00 N ATOM 724 CA CYS A 614 -3.285 -3.312 11.893 1.00 0.00 C ATOM 725 C CYS A 614 -4.396 -3.198 12.968 1.00 0.00 C ATOM 726 O CYS A 614 -4.310 -3.785 14.053 1.00 0.00 O ATOM 727 CB CYS A 614 -3.789 -4.040 10.635 1.00 0.00 C ATOM 728 SG CYS A 614 -2.523 -4.064 9.332 1.00 0.00 S ATOM 0 H CYS A 614 -1.974 -4.931 11.932 1.00 0.00 H new ATOM 0 HA CYS A 614 -3.015 -2.283 11.656 1.00 0.00 H new ATOM 0 HB2 CYS A 614 -4.069 -5.062 10.891 1.00 0.00 H new ATOM 0 HB3 CYS A 614 -4.687 -3.547 10.263 1.00 0.00 H new ATOM 733 N ARG A 615 -5.447 -2.425 12.658 1.00 0.00 N ATOM 734 CA ARG A 615 -6.553 -2.065 13.572 1.00 0.00 C ATOM 735 C ARG A 615 -7.917 -2.530 13.043 1.00 0.00 C ATOM 736 O ARG A 615 -8.117 -2.638 11.830 1.00 0.00 O ATOM 737 CB ARG A 615 -6.550 -0.541 13.843 1.00 0.00 C ATOM 738 CG ARG A 615 -5.169 0.068 14.156 1.00 0.00 C ATOM 739 CD ARG A 615 -4.499 -0.500 15.418 1.00 0.00 C ATOM 740 NE ARG A 615 -3.042 -0.607 15.234 1.00 0.00 N ATOM 741 CZ ARG A 615 -2.095 0.251 15.557 1.00 0.00 C ATOM 742 NH1 ARG A 615 -2.312 1.364 16.197 1.00 0.00 N ATOM 743 NH2 ARG A 615 -0.878 -0.026 15.212 1.00 0.00 N ATOM 0 H ARG A 615 -5.559 -2.016 11.730 1.00 0.00 H new ATOM 0 HA ARG A 615 -6.387 -2.589 14.513 1.00 0.00 H new ATOM 0 HB2 ARG A 615 -6.964 -0.033 12.972 1.00 0.00 H new ATOM 0 HB3 ARG A 615 -7.218 -0.336 14.680 1.00 0.00 H new ATOM 0 HG2 ARG A 615 -4.510 -0.097 13.303 1.00 0.00 H new ATOM 0 HG3 ARG A 615 -5.278 1.146 14.271 1.00 0.00 H new ATOM 0 HD2 ARG A 615 -4.716 0.143 16.271 1.00 0.00 H new ATOM 0 HD3 ARG A 615 -4.914 -1.482 15.645 1.00 0.00 H new ATOM 0 HE ARG A 615 -2.719 -1.469 14.793 1.00 0.00 H new ATOM 0 HH11 ARG A 615 -3.260 1.614 16.478 1.00 0.00 H new ATOM 0 HH12 ARG A 615 -1.534 1.986 16.417 1.00 0.00 H new ATOM 0 HH21 ARG A 615 -0.675 -0.888 14.705 1.00 0.00 H new ATOM 0 HH22 ARG A 615 -0.122 0.617 15.447 1.00 0.00 H new ATOM 757 N ARG A 616 -8.863 -2.786 13.956 1.00 0.00 N ATOM 758 CA ARG A 616 -10.251 -3.194 13.649 1.00 0.00 C ATOM 759 C ARG A 616 -11.155 -1.990 13.339 1.00 0.00 C ATOM 760 O ARG A 616 -10.871 -0.864 13.761 1.00 0.00 O ATOM 761 CB ARG A 616 -10.825 -4.050 14.795 1.00 0.00 C ATOM 762 CG ARG A 616 -10.061 -5.374 14.982 1.00 0.00 C ATOM 763 CD ARG A 616 -10.736 -6.298 16.006 1.00 0.00 C ATOM 764 NE ARG A 616 -10.703 -5.742 17.375 1.00 0.00 N ATOM 765 CZ ARG A 616 -11.309 -6.238 18.441 1.00 0.00 C ATOM 766 NH1 ARG A 616 -12.027 -7.325 18.388 1.00 0.00 N ATOM 767 NH2 ARG A 616 -11.201 -5.646 19.596 1.00 0.00 N ATOM 0 H ARG A 616 -8.685 -2.715 14.958 1.00 0.00 H new ATOM 0 HA ARG A 616 -10.224 -3.802 12.745 1.00 0.00 H new ATOM 0 HB2 ARG A 616 -10.789 -3.480 15.723 1.00 0.00 H new ATOM 0 HB3 ARG A 616 -11.874 -4.265 14.593 1.00 0.00 H new ATOM 0 HG2 ARG A 616 -9.990 -5.888 14.024 1.00 0.00 H new ATOM 0 HG3 ARG A 616 -9.042 -5.160 15.305 1.00 0.00 H new ATOM 0 HD2 ARG A 616 -11.771 -6.468 15.711 1.00 0.00 H new ATOM 0 HD3 ARG A 616 -10.239 -7.268 15.999 1.00 0.00 H new ATOM 0 HE ARG A 616 -10.158 -4.890 17.511 1.00 0.00 H new ATOM 0 HH11 ARG A 616 -12.136 -7.822 17.504 1.00 0.00 H new ATOM 0 HH12 ARG A 616 -12.480 -7.679 19.231 1.00 0.00 H new ATOM 0 HH21 ARG A 616 -10.646 -4.794 19.683 1.00 0.00 H new ATOM 0 HH22 ARG A 616 -11.671 -6.034 20.414 1.00 0.00 H new ATOM 781 N GLY A 617 -12.256 -2.237 12.620 1.00 0.00 N ATOM 782 CA GLY A 617 -13.273 -1.239 12.240 1.00 0.00 C ATOM 783 C GLY A 617 -14.382 -1.827 11.369 1.00 0.00 C ATOM 784 O GLY A 617 -15.112 -2.716 11.859 1.00 0.00 O ATOM 785 OXT GLY A 617 -14.509 -1.399 10.200 1.00 0.00 O ATOM 0 H GLY A 617 -12.475 -3.170 12.272 1.00 0.00 H new ATOM 0 HA2 GLY A 617 -13.713 -0.813 13.142 1.00 0.00 H new ATOM 0 HA3 GLY A 617 -12.791 -0.421 11.704 1.00 0.00 H new TER 789 GLY A 617 HETATM 790 ZN ZN A 701 -2.557 7.670 -5.343 1.00 0.00 ZN HETATM 791 ZN ZN A 702 -2.170 -2.116 8.444 1.00 0.00 ZN