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 -31:sc= 0.253 USER MOD Single : A 571 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 577 GLN : amide:sc= 0.933 K(o=0.93,f=0) USER MOD Single : A 578 SER OG : rot 110:sc= 1.45 USER MOD Single : A 581 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 582 TYR OH : rot 180:sc= -0.088 USER MOD Single : A 583 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 585 HIS : no HD1:sc= 0.353 K(o=0.35,f=-2.8!) USER MOD Single : A 586 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 587 LYS NZ :NH3+ -151:sc= 0.933 (180deg=0.485) USER MOD Single : A 592 SER OG : rot 180:sc= 0 USER MOD Single : A 606 CYS SG : rot 51:sc= 0.474 USER MOD Single : A 608 TYR OH : rot -2:sc= 0.522 USER MOD Single : A 611 SER OG : rot 180:sc=0.000177 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 566 -3.949 -10.473 -18.465 1.00 0.00 N ATOM 2 CA THR A 566 -2.970 -11.248 -17.661 1.00 0.00 C ATOM 3 C THR A 566 -3.077 -10.895 -16.181 1.00 0.00 C ATOM 4 O THR A 566 -3.521 -9.802 -15.825 1.00 0.00 O ATOM 5 CB THR A 566 -1.529 -11.023 -18.135 1.00 0.00 C ATOM 6 OG1 THR A 566 -1.294 -9.648 -18.342 1.00 0.00 O ATOM 7 CG2 THR A 566 -1.239 -11.741 -19.453 1.00 0.00 C ATOM 0 HA THR A 566 -3.216 -12.301 -17.801 1.00 0.00 H new ATOM 0 HB THR A 566 -0.880 -11.422 -17.356 1.00 0.00 H new ATOM 0 HG1 THR A 566 -2.124 -9.214 -18.629 1.00 0.00 H new ATOM 0 HG21 THR A 566 -0.207 -11.553 -19.750 1.00 0.00 H new ATOM 0 HG22 THR A 566 -1.391 -12.813 -19.324 1.00 0.00 H new ATOM 0 HG23 THR A 566 -1.912 -11.369 -20.226 1.00 0.00 H new ATOM 15 N ASP A 567 -2.694 -11.819 -15.293 1.00 0.00 N ATOM 16 CA ASP A 567 -2.701 -11.613 -13.836 1.00 0.00 C ATOM 17 C ASP A 567 -1.442 -10.869 -13.350 1.00 0.00 C ATOM 18 O ASP A 567 -0.334 -11.116 -13.832 1.00 0.00 O ATOM 19 CB ASP A 567 -2.845 -12.960 -13.112 1.00 0.00 C ATOM 20 CG ASP A 567 -4.203 -13.625 -13.388 1.00 0.00 C ATOM 21 OD1 ASP A 567 -5.216 -13.209 -12.775 1.00 0.00 O ATOM 22 OD2 ASP A 567 -4.263 -14.570 -14.212 1.00 0.00 O ATOM 0 H ASP A 567 -2.365 -12.745 -15.568 1.00 0.00 H new ATOM 0 HA ASP A 567 -3.558 -10.984 -13.596 1.00 0.00 H new ATOM 0 HB2 ASP A 567 -2.044 -13.628 -13.429 1.00 0.00 H new ATOM 0 HB3 ASP A 567 -2.728 -12.808 -12.039 1.00 0.00 H new ATOM 27 N GLU A 568 -1.603 -9.978 -12.367 1.00 0.00 N ATOM 28 CA GLU A 568 -0.527 -9.193 -11.739 1.00 0.00 C ATOM 29 C GLU A 568 -0.752 -9.026 -10.226 1.00 0.00 C ATOM 30 O GLU A 568 -1.893 -8.975 -9.756 1.00 0.00 O ATOM 31 CB GLU A 568 -0.427 -7.794 -12.385 1.00 0.00 C ATOM 32 CG GLU A 568 0.116 -7.769 -13.824 1.00 0.00 C ATOM 33 CD GLU A 568 1.578 -8.254 -13.965 1.00 0.00 C ATOM 34 OE1 GLU A 568 2.322 -8.327 -12.955 1.00 0.00 O ATOM 35 OE2 GLU A 568 2.013 -8.526 -15.111 1.00 0.00 O ATOM 0 H GLU A 568 -2.520 -9.773 -11.969 1.00 0.00 H new ATOM 0 HA GLU A 568 0.401 -9.743 -11.897 1.00 0.00 H new ATOM 0 HB2 GLU A 568 -1.417 -7.339 -12.380 1.00 0.00 H new ATOM 0 HB3 GLU A 568 0.214 -7.170 -11.762 1.00 0.00 H new ATOM 0 HG2 GLU A 568 -0.522 -8.392 -14.451 1.00 0.00 H new ATOM 0 HG3 GLU A 568 0.045 -6.751 -14.208 1.00 0.00 H new ATOM 42 N ALA A 569 0.338 -8.883 -9.466 1.00 0.00 N ATOM 43 CA ALA A 569 0.319 -8.514 -8.051 1.00 0.00 C ATOM 44 C ALA A 569 0.520 -7.000 -7.907 1.00 0.00 C ATOM 45 O ALA A 569 1.653 -6.521 -7.831 1.00 0.00 O ATOM 46 CB ALA A 569 1.392 -9.302 -7.293 1.00 0.00 C ATOM 0 H ALA A 569 1.281 -9.025 -9.829 1.00 0.00 H new ATOM 0 HA ALA A 569 -0.648 -8.766 -7.617 1.00 0.00 H new ATOM 0 HB1 ALA A 569 1.373 -9.022 -6.240 1.00 0.00 H new ATOM 0 HB2 ALA A 569 1.195 -10.370 -7.389 1.00 0.00 H new ATOM 0 HB3 ALA A 569 2.373 -9.075 -7.711 1.00 0.00 H new ATOM 52 N LEU A 570 -0.586 -6.257 -7.854 1.00 0.00 N ATOM 53 CA LEU A 570 -0.674 -4.838 -7.527 1.00 0.00 C ATOM 54 C LEU A 570 -1.995 -4.570 -6.791 1.00 0.00 C ATOM 55 O LEU A 570 -2.990 -5.273 -6.992 1.00 0.00 O ATOM 56 CB LEU A 570 -0.573 -3.962 -8.792 1.00 0.00 C ATOM 57 CG LEU A 570 0.747 -4.098 -9.576 1.00 0.00 C ATOM 58 CD1 LEU A 570 0.624 -3.358 -10.894 1.00 0.00 C ATOM 59 CD2 LEU A 570 1.954 -3.504 -8.848 1.00 0.00 C ATOM 0 H LEU A 570 -1.502 -6.659 -8.052 1.00 0.00 H new ATOM 0 HA LEU A 570 0.164 -4.575 -6.882 1.00 0.00 H new ATOM 0 HB2 LEU A 570 -1.400 -4.213 -9.456 1.00 0.00 H new ATOM 0 HB3 LEU A 570 -0.701 -2.919 -8.504 1.00 0.00 H new ATOM 0 HG LEU A 570 0.912 -5.168 -9.704 1.00 0.00 H new ATOM 0 HD11 LEU A 570 1.556 -3.451 -11.452 1.00 0.00 H new ATOM 0 HD12 LEU A 570 -0.192 -3.785 -11.476 1.00 0.00 H new ATOM 0 HD13 LEU A 570 0.420 -2.305 -10.702 1.00 0.00 H new ATOM 0 HD21 LEU A 570 2.848 -3.635 -9.458 1.00 0.00 H new ATOM 0 HD22 LEU A 570 1.787 -2.441 -8.674 1.00 0.00 H new ATOM 0 HD23 LEU A 570 2.089 -4.012 -7.893 1.00 0.00 H new ATOM 71 N LYS A 571 -1.997 -3.527 -5.961 1.00 0.00 N ATOM 72 CA LYS A 571 -3.171 -3.015 -5.229 1.00 0.00 C ATOM 73 C LYS A 571 -3.511 -1.564 -5.613 1.00 0.00 C ATOM 74 O LYS A 571 -2.612 -0.808 -5.996 1.00 0.00 O ATOM 75 CB LYS A 571 -2.966 -3.123 -3.706 1.00 0.00 C ATOM 76 CG LYS A 571 -2.842 -4.570 -3.206 1.00 0.00 C ATOM 77 CD LYS A 571 -2.800 -4.589 -1.670 1.00 0.00 C ATOM 78 CE LYS A 571 -2.671 -6.004 -1.090 1.00 0.00 C ATOM 79 NZ LYS A 571 -3.902 -6.819 -1.282 1.00 0.00 N ATOM 0 H LYS A 571 -1.152 -2.990 -5.768 1.00 0.00 H new ATOM 0 HA LYS A 571 -4.015 -3.641 -5.518 1.00 0.00 H new ATOM 0 HB2 LYS A 571 -2.067 -2.573 -3.428 1.00 0.00 H new ATOM 0 HB3 LYS A 571 -3.803 -2.642 -3.200 1.00 0.00 H new ATOM 0 HG2 LYS A 571 -3.685 -5.161 -3.563 1.00 0.00 H new ATOM 0 HG3 LYS A 571 -1.939 -5.027 -3.609 1.00 0.00 H new ATOM 0 HD2 LYS A 571 -1.960 -3.984 -1.328 1.00 0.00 H new ATOM 0 HD3 LYS A 571 -3.706 -4.125 -1.282 1.00 0.00 H new ATOM 0 HE2 LYS A 571 -1.828 -6.510 -1.561 1.00 0.00 H new ATOM 0 HE3 LYS A 571 -2.447 -5.937 -0.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 571 -3.760 -7.764 -0.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 571 -4.703 -6.354 -0.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 571 -4.104 -6.909 -2.298 1.00 0.00 H new ATOM 93 N PRO A 572 -4.784 -1.149 -5.480 1.00 0.00 N ATOM 94 CA PRO A 572 -5.192 0.244 -5.616 1.00 0.00 C ATOM 95 C PRO A 572 -4.744 1.087 -4.411 1.00 0.00 C ATOM 96 O PRO A 572 -4.879 0.681 -3.254 1.00 0.00 O ATOM 97 CB PRO A 572 -6.716 0.207 -5.738 1.00 0.00 C ATOM 98 CG PRO A 572 -7.109 -1.031 -4.931 1.00 0.00 C ATOM 99 CD PRO A 572 -5.929 -1.980 -5.137 1.00 0.00 C ATOM 0 HA PRO A 572 -4.729 0.714 -6.484 1.00 0.00 H new ATOM 0 HB2 PRO A 572 -7.173 1.111 -5.335 1.00 0.00 H new ATOM 0 HB3 PRO A 572 -7.034 0.126 -6.778 1.00 0.00 H new ATOM 0 HG2 PRO A 572 -7.254 -0.794 -3.877 1.00 0.00 H new ATOM 0 HG3 PRO A 572 -8.041 -1.466 -5.291 1.00 0.00 H new ATOM 0 HD2 PRO A 572 -5.733 -2.557 -4.233 1.00 0.00 H new ATOM 0 HD3 PRO A 572 -6.141 -2.695 -5.932 1.00 0.00 H new ATOM 107 N CYS A 573 -4.265 2.295 -4.696 1.00 0.00 N ATOM 108 CA CYS A 573 -3.966 3.346 -3.731 1.00 0.00 C ATOM 109 C CYS A 573 -5.212 3.749 -2.908 1.00 0.00 C ATOM 110 O CYS A 573 -6.281 3.995 -3.478 1.00 0.00 O ATOM 111 CB CYS A 573 -3.420 4.499 -4.569 1.00 0.00 C ATOM 112 SG CYS A 573 -3.254 6.101 -3.697 1.00 0.00 S ATOM 0 H CYS A 573 -4.065 2.580 -5.655 1.00 0.00 H new ATOM 0 HA CYS A 573 -3.245 3.020 -2.981 1.00 0.00 H new ATOM 0 HB2 CYS A 573 -2.442 4.213 -4.955 1.00 0.00 H new ATOM 0 HB3 CYS A 573 -4.073 4.640 -5.430 1.00 0.00 H new ATOM 117 N PRO A 574 -5.109 3.857 -1.575 1.00 0.00 N ATOM 118 CA PRO A 574 -6.227 4.206 -0.697 1.00 0.00 C ATOM 119 C PRO A 574 -6.683 5.675 -0.829 1.00 0.00 C ATOM 120 O PRO A 574 -7.747 6.023 -0.310 1.00 0.00 O ATOM 121 CB PRO A 574 -5.732 3.859 0.712 1.00 0.00 C ATOM 122 CG PRO A 574 -4.230 4.074 0.602 1.00 0.00 C ATOM 123 CD PRO A 574 -3.910 3.605 -0.803 1.00 0.00 C ATOM 0 HA PRO A 574 -7.127 3.652 -0.963 1.00 0.00 H new ATOM 0 HB2 PRO A 574 -6.179 4.504 1.468 1.00 0.00 H new ATOM 0 HB3 PRO A 574 -5.975 2.832 0.985 1.00 0.00 H new ATOM 0 HG2 PRO A 574 -3.962 5.121 0.747 1.00 0.00 H new ATOM 0 HG3 PRO A 574 -3.686 3.499 1.351 1.00 0.00 H new ATOM 0 HD2 PRO A 574 -3.058 4.146 -1.213 1.00 0.00 H new ATOM 0 HD3 PRO A 574 -3.651 2.546 -0.814 1.00 0.00 H new ATOM 131 N ARG A 575 -5.927 6.533 -1.539 1.00 0.00 N ATOM 132 CA ARG A 575 -6.322 7.918 -1.866 1.00 0.00 C ATOM 133 C ARG A 575 -7.037 8.051 -3.214 1.00 0.00 C ATOM 134 O ARG A 575 -8.102 8.669 -3.269 1.00 0.00 O ATOM 135 CB ARG A 575 -5.090 8.837 -1.881 1.00 0.00 C ATOM 136 CG ARG A 575 -4.619 9.299 -0.498 1.00 0.00 C ATOM 137 CD ARG A 575 -3.561 10.397 -0.683 1.00 0.00 C ATOM 138 NE ARG A 575 -3.207 11.054 0.587 1.00 0.00 N ATOM 139 CZ ARG A 575 -2.240 11.937 0.762 1.00 0.00 C ATOM 140 NH1 ARG A 575 -1.424 12.276 -0.197 1.00 0.00 N ATOM 141 NH2 ARG A 575 -2.065 12.498 1.924 1.00 0.00 N ATOM 0 H ARG A 575 -5.010 6.281 -1.908 1.00 0.00 H new ATOM 0 HA ARG A 575 -7.024 8.213 -1.086 1.00 0.00 H new ATOM 0 HB2 ARG A 575 -4.270 8.314 -2.373 1.00 0.00 H new ATOM 0 HB3 ARG A 575 -5.316 9.716 -2.485 1.00 0.00 H new ATOM 0 HG2 ARG A 575 -5.461 9.678 0.081 1.00 0.00 H new ATOM 0 HG3 ARG A 575 -4.201 8.461 0.059 1.00 0.00 H new ATOM 0 HD2 ARG A 575 -2.665 9.963 -1.127 1.00 0.00 H new ATOM 0 HD3 ARG A 575 -3.935 11.144 -1.384 1.00 0.00 H new ATOM 0 HE ARG A 575 -3.760 10.804 1.407 1.00 0.00 H new ATOM 0 HH11 ARG A 575 -1.520 11.855 -1.121 1.00 0.00 H new ATOM 0 HH12 ARG A 575 -0.689 12.962 -0.023 1.00 0.00 H new ATOM 0 HH21 ARG A 575 -2.676 12.256 2.704 1.00 0.00 H new ATOM 0 HH22 ARG A 575 -1.317 13.179 2.054 1.00 0.00 H new ATOM 155 N CYS A 576 -6.447 7.501 -4.281 1.00 0.00 N ATOM 156 CA CYS A 576 -6.863 7.743 -5.673 1.00 0.00 C ATOM 157 C CYS A 576 -7.181 6.479 -6.497 1.00 0.00 C ATOM 158 O CYS A 576 -7.615 6.577 -7.647 1.00 0.00 O ATOM 159 CB CYS A 576 -5.815 8.651 -6.338 1.00 0.00 C ATOM 160 SG CYS A 576 -4.264 7.776 -6.661 1.00 0.00 S ATOM 0 H CYS A 576 -5.654 6.864 -4.204 1.00 0.00 H new ATOM 0 HA CYS A 576 -7.830 8.245 -5.645 1.00 0.00 H new ATOM 0 HB2 CYS A 576 -6.214 9.039 -7.275 1.00 0.00 H new ATOM 0 HB3 CYS A 576 -5.620 9.509 -5.695 1.00 0.00 H new ATOM 165 N GLN A 577 -7.007 5.293 -5.900 1.00 0.00 N ATOM 166 CA GLN A 577 -7.229 3.972 -6.505 1.00 0.00 C ATOM 167 C GLN A 577 -6.334 3.664 -7.727 1.00 0.00 C ATOM 168 O GLN A 577 -6.574 2.688 -8.441 1.00 0.00 O ATOM 169 CB GLN A 577 -8.733 3.709 -6.750 1.00 0.00 C ATOM 170 CG GLN A 577 -9.648 3.870 -5.520 1.00 0.00 C ATOM 171 CD GLN A 577 -9.640 2.658 -4.587 1.00 0.00 C ATOM 172 OE1 GLN A 577 -10.475 1.768 -4.678 1.00 0.00 O ATOM 173 NE2 GLN A 577 -8.715 2.561 -3.657 1.00 0.00 N ATOM 0 H GLN A 577 -6.691 5.225 -4.932 1.00 0.00 H new ATOM 0 HA GLN A 577 -6.895 3.244 -5.766 1.00 0.00 H new ATOM 0 HB2 GLN A 577 -9.080 4.388 -7.529 1.00 0.00 H new ATOM 0 HB3 GLN A 577 -8.848 2.696 -7.135 1.00 0.00 H new ATOM 0 HG2 GLN A 577 -9.337 4.751 -4.959 1.00 0.00 H new ATOM 0 HG3 GLN A 577 -10.668 4.051 -5.858 1.00 0.00 H new ATOM 0 HE21 GLN A 577 -8.009 3.291 -3.562 1.00 0.00 H new ATOM 0 HE22 GLN A 577 -8.704 1.756 -3.031 1.00 0.00 H new ATOM 182 N SER A 578 -5.268 4.443 -7.945 1.00 0.00 N ATOM 183 CA SER A 578 -4.233 4.152 -8.951 1.00 0.00 C ATOM 184 C SER A 578 -3.477 2.853 -8.609 1.00 0.00 C ATOM 185 O SER A 578 -3.313 2.555 -7.421 1.00 0.00 O ATOM 186 CB SER A 578 -3.228 5.309 -9.048 1.00 0.00 C ATOM 187 OG SER A 578 -3.871 6.527 -9.378 1.00 0.00 O ATOM 0 H SER A 578 -5.096 5.303 -7.424 1.00 0.00 H new ATOM 0 HA SER A 578 -4.736 4.029 -9.910 1.00 0.00 H new ATOM 0 HB2 SER A 578 -2.704 5.418 -8.098 1.00 0.00 H new ATOM 0 HB3 SER A 578 -2.476 5.077 -9.802 1.00 0.00 H new ATOM 0 HG SER A 578 -3.856 7.125 -8.602 1.00 0.00 H new ATOM 193 N PRO A 579 -2.984 2.078 -9.596 1.00 0.00 N ATOM 194 CA PRO A 579 -2.171 0.885 -9.353 1.00 0.00 C ATOM 195 C PRO A 579 -0.825 1.281 -8.728 1.00 0.00 C ATOM 196 O PRO A 579 0.057 1.845 -9.379 1.00 0.00 O ATOM 197 CB PRO A 579 -2.019 0.202 -10.716 1.00 0.00 C ATOM 198 CG PRO A 579 -2.119 1.369 -11.696 1.00 0.00 C ATOM 199 CD PRO A 579 -3.133 2.295 -11.026 1.00 0.00 C ATOM 0 HA PRO A 579 -2.631 0.198 -8.643 1.00 0.00 H new ATOM 0 HB2 PRO A 579 -1.065 -0.318 -10.803 1.00 0.00 H new ATOM 0 HB3 PRO A 579 -2.802 -0.537 -10.887 1.00 0.00 H new ATOM 0 HG2 PRO A 579 -1.156 1.860 -11.838 1.00 0.00 H new ATOM 0 HG3 PRO A 579 -2.459 1.043 -12.679 1.00 0.00 H new ATOM 0 HD2 PRO A 579 -2.942 3.336 -11.285 1.00 0.00 H new ATOM 0 HD3 PRO A 579 -4.147 2.066 -11.353 1.00 0.00 H new ATOM 207 N ALA A 580 -0.688 1.003 -7.438 1.00 0.00 N ATOM 208 CA ALA A 580 0.480 1.339 -6.630 1.00 0.00 C ATOM 209 C ALA A 580 1.569 0.253 -6.711 1.00 0.00 C ATOM 210 O ALA A 580 1.258 -0.938 -6.792 1.00 0.00 O ATOM 211 CB ALA A 580 0.001 1.572 -5.194 1.00 0.00 C ATOM 0 H ALA A 580 -1.412 0.520 -6.906 1.00 0.00 H new ATOM 0 HA ALA A 580 0.950 2.245 -7.013 1.00 0.00 H new ATOM 0 HB1 ALA A 580 0.853 1.826 -4.563 1.00 0.00 H new ATOM 0 HB2 ALA A 580 -0.719 2.391 -5.179 1.00 0.00 H new ATOM 0 HB3 ALA A 580 -0.473 0.666 -4.817 1.00 0.00 H new ATOM 217 N LYS A 581 2.846 0.658 -6.633 1.00 0.00 N ATOM 218 CA LYS A 581 4.019 -0.227 -6.545 1.00 0.00 C ATOM 219 C LYS A 581 3.888 -1.108 -5.306 1.00 0.00 C ATOM 220 O LYS A 581 4.015 -0.621 -4.181 1.00 0.00 O ATOM 221 CB LYS A 581 5.301 0.626 -6.468 1.00 0.00 C ATOM 222 CG LYS A 581 6.620 -0.162 -6.454 1.00 0.00 C ATOM 223 CD LYS A 581 6.913 -0.912 -7.758 1.00 0.00 C ATOM 224 CE LYS A 581 8.326 -1.502 -7.671 1.00 0.00 C ATOM 225 NZ LYS A 581 8.705 -2.214 -8.920 1.00 0.00 N ATOM 0 H LYS A 581 3.100 1.646 -6.629 1.00 0.00 H new ATOM 0 HA LYS A 581 4.075 -0.863 -7.429 1.00 0.00 H new ATOM 0 HB2 LYS A 581 5.314 1.308 -7.318 1.00 0.00 H new ATOM 0 HB3 LYS A 581 5.255 1.239 -5.568 1.00 0.00 H new ATOM 0 HG2 LYS A 581 7.440 0.526 -6.251 1.00 0.00 H new ATOM 0 HG3 LYS A 581 6.594 -0.878 -5.633 1.00 0.00 H new ATOM 0 HD2 LYS A 581 6.180 -1.704 -7.913 1.00 0.00 H new ATOM 0 HD3 LYS A 581 6.836 -0.236 -8.610 1.00 0.00 H new ATOM 0 HE2 LYS A 581 9.042 -0.703 -7.476 1.00 0.00 H new ATOM 0 HE3 LYS A 581 8.381 -2.192 -6.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 581 9.666 -2.599 -8.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 581 8.037 -2.992 -9.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 581 8.677 -1.550 -9.720 1.00 0.00 H new ATOM 239 N TYR A 582 3.606 -2.388 -5.514 1.00 0.00 N ATOM 240 CA TYR A 582 3.320 -3.326 -4.435 1.00 0.00 C ATOM 241 C TYR A 582 4.609 -3.934 -3.871 1.00 0.00 C ATOM 242 O TYR A 582 5.475 -4.386 -4.623 1.00 0.00 O ATOM 243 CB TYR A 582 2.361 -4.402 -4.957 1.00 0.00 C ATOM 244 CG TYR A 582 1.736 -5.336 -3.943 1.00 0.00 C ATOM 245 CD1 TYR A 582 1.578 -4.984 -2.589 1.00 0.00 C ATOM 246 CD2 TYR A 582 1.291 -6.586 -4.396 1.00 0.00 C ATOM 247 CE1 TYR A 582 1.029 -5.908 -1.684 1.00 0.00 C ATOM 248 CE2 TYR A 582 0.734 -7.516 -3.496 1.00 0.00 C ATOM 249 CZ TYR A 582 0.597 -7.173 -2.134 1.00 0.00 C ATOM 250 OH TYR A 582 0.043 -8.048 -1.250 1.00 0.00 O ATOM 0 H TYR A 582 3.569 -2.808 -6.443 1.00 0.00 H new ATOM 0 HA TYR A 582 2.843 -2.798 -3.609 1.00 0.00 H new ATOM 0 HB2 TYR A 582 1.555 -3.902 -5.494 1.00 0.00 H new ATOM 0 HB3 TYR A 582 2.901 -5.008 -5.684 1.00 0.00 H new ATOM 0 HD1 TYR A 582 1.878 -4.005 -2.246 1.00 0.00 H new ATOM 0 HD2 TYR A 582 1.376 -6.838 -5.443 1.00 0.00 H new ATOM 0 HE1 TYR A 582 0.937 -5.649 -0.640 1.00 0.00 H new ATOM 0 HE2 TYR A 582 0.414 -8.486 -3.847 1.00 0.00 H new ATOM 0 HH TYR A 582 -0.203 -8.873 -1.717 1.00 0.00 H new ATOM 260 N GLN A 583 4.731 -3.952 -2.543 1.00 0.00 N ATOM 261 CA GLN A 583 5.895 -4.451 -1.811 1.00 0.00 C ATOM 262 C GLN A 583 5.445 -5.454 -0.722 1.00 0.00 C ATOM 263 O GLN A 583 5.526 -5.156 0.474 1.00 0.00 O ATOM 264 CB GLN A 583 6.701 -3.258 -1.245 1.00 0.00 C ATOM 265 CG GLN A 583 6.793 -2.000 -2.143 1.00 0.00 C ATOM 266 CD GLN A 583 7.779 -0.952 -1.626 1.00 0.00 C ATOM 267 OE1 GLN A 583 8.342 -1.033 -0.543 1.00 0.00 O ATOM 268 NE2 GLN A 583 8.026 0.090 -2.391 1.00 0.00 N ATOM 0 H GLN A 583 3.996 -3.607 -1.926 1.00 0.00 H new ATOM 0 HA GLN A 583 6.560 -4.997 -2.480 1.00 0.00 H new ATOM 0 HB2 GLN A 583 6.257 -2.966 -0.293 1.00 0.00 H new ATOM 0 HB3 GLN A 583 7.714 -3.600 -1.032 1.00 0.00 H new ATOM 0 HG2 GLN A 583 7.089 -2.301 -3.148 1.00 0.00 H new ATOM 0 HG3 GLN A 583 5.804 -1.548 -2.224 1.00 0.00 H new ATOM 0 HE21 GLN A 583 7.567 0.177 -3.298 1.00 0.00 H new ATOM 0 HE22 GLN A 583 8.676 0.810 -2.077 1.00 0.00 H new ATOM 277 N PRO A 584 4.920 -6.640 -1.097 1.00 0.00 N ATOM 278 CA PRO A 584 4.344 -7.616 -0.157 1.00 0.00 C ATOM 279 C PRO A 584 5.350 -8.187 0.857 1.00 0.00 C ATOM 280 O PRO A 584 4.953 -8.610 1.946 1.00 0.00 O ATOM 281 CB PRO A 584 3.752 -8.725 -1.036 1.00 0.00 C ATOM 282 CG PRO A 584 4.505 -8.606 -2.360 1.00 0.00 C ATOM 283 CD PRO A 584 4.799 -7.119 -2.465 1.00 0.00 C ATOM 0 HA PRO A 584 3.597 -7.127 0.469 1.00 0.00 H new ATOM 0 HB2 PRO A 584 3.894 -9.707 -0.585 1.00 0.00 H new ATOM 0 HB3 PRO A 584 2.679 -8.591 -1.176 1.00 0.00 H new ATOM 0 HG2 PRO A 584 5.421 -9.197 -2.356 1.00 0.00 H new ATOM 0 HG3 PRO A 584 3.903 -8.957 -3.198 1.00 0.00 H new ATOM 0 HD2 PRO A 584 5.718 -6.941 -3.024 1.00 0.00 H new ATOM 0 HD3 PRO A 584 3.999 -6.599 -2.992 1.00 0.00 H new ATOM 291 N HIS A 585 6.648 -8.150 0.544 1.00 0.00 N ATOM 292 CA HIS A 585 7.760 -8.501 1.440 1.00 0.00 C ATOM 293 C HIS A 585 8.026 -7.452 2.535 1.00 0.00 C ATOM 294 O HIS A 585 8.569 -7.788 3.589 1.00 0.00 O ATOM 295 CB HIS A 585 9.016 -8.737 0.584 1.00 0.00 C ATOM 296 CG HIS A 585 9.502 -7.536 -0.204 1.00 0.00 C ATOM 297 ND1 HIS A 585 8.707 -6.673 -0.971 1.00 0.00 N ATOM 298 CD2 HIS A 585 10.807 -7.164 -0.342 1.00 0.00 C ATOM 299 CE1 HIS A 585 9.556 -5.807 -1.551 1.00 0.00 C ATOM 300 NE2 HIS A 585 10.821 -6.076 -1.189 1.00 0.00 N ATOM 0 H HIS A 585 6.970 -7.862 -0.380 1.00 0.00 H new ATOM 0 HA HIS A 585 7.484 -9.408 1.978 1.00 0.00 H new ATOM 0 HB2 HIS A 585 9.822 -9.072 1.237 1.00 0.00 H new ATOM 0 HB3 HIS A 585 8.812 -9.549 -0.114 1.00 0.00 H new ATOM 0 HD2 HIS A 585 11.663 -7.631 0.122 1.00 0.00 H new ATOM 0 HE1 HIS A 585 9.262 -5.007 -2.215 1.00 0.00 H new ATOM 0 HE2 HIS A 585 11.650 -5.563 -1.489 1.00 0.00 H new ATOM 308 N LYS A 586 7.607 -6.198 2.308 1.00 0.00 N ATOM 309 CA LYS A 586 7.660 -5.066 3.259 1.00 0.00 C ATOM 310 C LYS A 586 6.273 -4.637 3.769 1.00 0.00 C ATOM 311 O LYS A 586 6.172 -3.667 4.521 1.00 0.00 O ATOM 312 CB LYS A 586 8.395 -3.886 2.593 1.00 0.00 C ATOM 313 CG LYS A 586 9.867 -4.203 2.289 1.00 0.00 C ATOM 314 CD LYS A 586 10.570 -2.985 1.678 1.00 0.00 C ATOM 315 CE LYS A 586 12.049 -3.305 1.430 1.00 0.00 C ATOM 316 NZ LYS A 586 12.767 -2.147 0.834 1.00 0.00 N ATOM 0 H LYS A 586 7.201 -5.927 1.412 1.00 0.00 H new ATOM 0 HA LYS A 586 8.207 -5.397 4.142 1.00 0.00 H new ATOM 0 HB2 LYS A 586 7.885 -3.622 1.667 1.00 0.00 H new ATOM 0 HB3 LYS A 586 8.342 -3.015 3.246 1.00 0.00 H new ATOM 0 HG2 LYS A 586 10.376 -4.501 3.205 1.00 0.00 H new ATOM 0 HG3 LYS A 586 9.928 -5.047 1.602 1.00 0.00 H new ATOM 0 HD2 LYS A 586 10.087 -2.708 0.741 1.00 0.00 H new ATOM 0 HD3 LYS A 586 10.481 -2.129 2.348 1.00 0.00 H new ATOM 0 HE2 LYS A 586 12.524 -3.584 2.371 1.00 0.00 H new ATOM 0 HE3 LYS A 586 12.129 -4.165 0.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 586 13.764 -2.399 0.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 586 12.328 -1.897 -0.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 586 12.711 -1.334 1.480 1.00 0.00 H new ATOM 330 N LYS A 587 5.208 -5.321 3.325 1.00 0.00 N ATOM 331 CA LYS A 587 3.784 -4.965 3.498 1.00 0.00 C ATOM 332 C LYS A 587 3.481 -3.489 3.193 1.00 0.00 C ATOM 333 O LYS A 587 2.678 -2.843 3.869 1.00 0.00 O ATOM 334 CB LYS A 587 3.265 -5.458 4.867 1.00 0.00 C ATOM 335 CG LYS A 587 3.241 -6.991 5.001 1.00 0.00 C ATOM 336 CD LYS A 587 2.295 -7.660 3.984 1.00 0.00 C ATOM 337 CE LYS A 587 2.115 -9.162 4.219 1.00 0.00 C ATOM 338 NZ LYS A 587 3.385 -9.911 4.013 1.00 0.00 N ATOM 0 H LYS A 587 5.320 -6.190 2.804 1.00 0.00 H new ATOM 0 HA LYS A 587 3.211 -5.497 2.739 1.00 0.00 H new ATOM 0 HB2 LYS A 587 3.893 -5.043 5.655 1.00 0.00 H new ATOM 0 HB3 LYS A 587 2.258 -5.072 5.025 1.00 0.00 H new ATOM 0 HG2 LYS A 587 4.250 -7.380 4.864 1.00 0.00 H new ATOM 0 HG3 LYS A 587 2.931 -7.259 6.011 1.00 0.00 H new ATOM 0 HD2 LYS A 587 1.321 -7.173 4.030 1.00 0.00 H new ATOM 0 HD3 LYS A 587 2.684 -7.501 2.978 1.00 0.00 H new ATOM 0 HE2 LYS A 587 1.755 -9.330 5.234 1.00 0.00 H new ATOM 0 HE3 LYS A 587 1.352 -9.547 3.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 587 3.170 -10.878 3.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 587 3.959 -9.429 3.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 587 3.914 -9.950 4.908 1.00 0.00 H new ATOM 352 N ARG A 588 4.125 -2.965 2.148 1.00 0.00 N ATOM 353 CA ARG A 588 4.119 -1.547 1.760 1.00 0.00 C ATOM 354 C ARG A 588 3.579 -1.364 0.344 1.00 0.00 C ATOM 355 O ARG A 588 3.733 -2.245 -0.502 1.00 0.00 O ATOM 356 CB ARG A 588 5.544 -1.001 1.949 1.00 0.00 C ATOM 357 CG ARG A 588 5.650 0.523 1.993 1.00 0.00 C ATOM 358 CD ARG A 588 7.054 0.898 2.477 1.00 0.00 C ATOM 359 NE ARG A 588 7.198 2.350 2.656 1.00 0.00 N ATOM 360 CZ ARG A 588 8.282 2.989 3.049 1.00 0.00 C ATOM 361 NH1 ARG A 588 9.433 2.390 3.186 1.00 0.00 N ATOM 362 NH2 ARG A 588 8.229 4.256 3.325 1.00 0.00 N ATOM 0 H ARG A 588 4.689 -3.538 1.521 1.00 0.00 H new ATOM 0 HA ARG A 588 3.443 -0.973 2.394 1.00 0.00 H new ATOM 0 HB2 ARG A 588 5.952 -1.406 2.875 1.00 0.00 H new ATOM 0 HB3 ARG A 588 6.170 -1.371 1.136 1.00 0.00 H new ATOM 0 HG2 ARG A 588 5.465 0.944 1.005 1.00 0.00 H new ATOM 0 HG3 ARG A 588 4.895 0.936 2.662 1.00 0.00 H new ATOM 0 HD2 ARG A 588 7.261 0.393 3.421 1.00 0.00 H new ATOM 0 HD3 ARG A 588 7.793 0.545 1.758 1.00 0.00 H new ATOM 0 HE ARG A 588 6.376 2.920 2.456 1.00 0.00 H new ATOM 0 HH11 ARG A 588 9.516 1.393 2.987 1.00 0.00 H new ATOM 0 HH12 ARG A 588 10.250 2.919 3.492 1.00 0.00 H new ATOM 0 HH21 ARG A 588 7.347 4.760 3.238 1.00 0.00 H new ATOM 0 HH22 ARG A 588 9.070 4.747 3.629 1.00 0.00 H new ATOM 376 N GLY A 589 2.939 -0.233 0.080 1.00 0.00 N ATOM 377 CA GLY A 589 2.451 0.139 -1.246 1.00 0.00 C ATOM 378 C GLY A 589 2.679 1.630 -1.510 1.00 0.00 C ATOM 379 O GLY A 589 2.410 2.454 -0.633 1.00 0.00 O ATOM 0 H GLY A 589 2.739 0.467 0.794 1.00 0.00 H new ATOM 0 HA2 GLY A 589 2.962 -0.452 -2.006 1.00 0.00 H new ATOM 0 HA3 GLY A 589 1.388 -0.091 -1.325 1.00 0.00 H new ATOM 383 N LEU A 590 3.209 1.969 -2.692 1.00 0.00 N ATOM 384 CA LEU A 590 3.545 3.347 -3.086 1.00 0.00 C ATOM 385 C LEU A 590 2.797 3.786 -4.348 1.00 0.00 C ATOM 386 O LEU A 590 2.924 3.146 -5.393 1.00 0.00 O ATOM 387 CB LEU A 590 5.063 3.506 -3.295 1.00 0.00 C ATOM 388 CG LEU A 590 5.937 3.286 -2.052 1.00 0.00 C ATOM 389 CD1 LEU A 590 7.402 3.540 -2.419 1.00 0.00 C ATOM 390 CD2 LEU A 590 5.529 4.218 -0.913 1.00 0.00 C ATOM 0 H LEU A 590 3.421 1.282 -3.416 1.00 0.00 H new ATOM 0 HA LEU A 590 3.227 3.993 -2.267 1.00 0.00 H new ATOM 0 HB2 LEU A 590 5.380 2.804 -4.067 1.00 0.00 H new ATOM 0 HB3 LEU A 590 5.255 4.509 -3.677 1.00 0.00 H new ATOM 0 HG LEU A 590 5.803 2.259 -1.713 1.00 0.00 H new ATOM 0 HD11 LEU A 590 8.029 3.386 -1.541 1.00 0.00 H new ATOM 0 HD12 LEU A 590 7.705 2.850 -3.207 1.00 0.00 H new ATOM 0 HD13 LEU A 590 7.516 4.565 -2.771 1.00 0.00 H new ATOM 0 HD21 LEU A 590 6.167 4.037 -0.048 1.00 0.00 H new ATOM 0 HD22 LEU A 590 5.638 5.254 -1.234 1.00 0.00 H new ATOM 0 HD23 LEU A 590 4.490 4.029 -0.643 1.00 0.00 H new ATOM 402 N CYS A 591 2.046 4.885 -4.271 1.00 0.00 N ATOM 403 CA CYS A 591 1.241 5.377 -5.389 1.00 0.00 C ATOM 404 C CYS A 591 2.096 5.753 -6.620 1.00 0.00 C ATOM 405 O CYS A 591 3.185 6.327 -6.502 1.00 0.00 O ATOM 406 CB CYS A 591 0.394 6.555 -4.908 1.00 0.00 C ATOM 407 SG CYS A 591 -0.844 6.942 -6.172 1.00 0.00 S ATOM 0 H CYS A 591 1.979 5.460 -3.431 1.00 0.00 H new ATOM 0 HA CYS A 591 0.588 4.571 -5.725 1.00 0.00 H new ATOM 0 HB2 CYS A 591 -0.094 6.308 -3.965 1.00 0.00 H new ATOM 0 HB3 CYS A 591 1.027 7.423 -4.722 1.00 0.00 H new ATOM 412 N SER A 592 1.573 5.443 -7.809 1.00 0.00 N ATOM 413 CA SER A 592 2.188 5.769 -9.105 1.00 0.00 C ATOM 414 C SER A 592 1.892 7.212 -9.561 1.00 0.00 C ATOM 415 O SER A 592 2.635 7.781 -10.369 1.00 0.00 O ATOM 416 CB SER A 592 1.706 4.745 -10.142 1.00 0.00 C ATOM 417 OG SER A 592 2.431 4.852 -11.356 1.00 0.00 O ATOM 0 H SER A 592 0.687 4.946 -7.903 1.00 0.00 H new ATOM 0 HA SER A 592 3.271 5.714 -8.999 1.00 0.00 H new ATOM 0 HB2 SER A 592 1.816 3.738 -9.739 1.00 0.00 H new ATOM 0 HB3 SER A 592 0.644 4.896 -10.337 1.00 0.00 H new ATOM 0 HG SER A 592 2.101 4.185 -11.994 1.00 0.00 H new ATOM 423 N ARG A 593 0.831 7.839 -9.031 1.00 0.00 N ATOM 424 CA ARG A 593 0.380 9.190 -9.395 1.00 0.00 C ATOM 425 C ARG A 593 1.183 10.258 -8.645 1.00 0.00 C ATOM 426 O ARG A 593 1.138 10.335 -7.418 1.00 0.00 O ATOM 427 CB ARG A 593 -1.138 9.254 -9.154 1.00 0.00 C ATOM 428 CG ARG A 593 -1.746 10.648 -9.338 1.00 0.00 C ATOM 429 CD ARG A 593 -3.274 10.550 -9.375 1.00 0.00 C ATOM 430 NE ARG A 593 -3.899 11.888 -9.335 1.00 0.00 N ATOM 431 CZ ARG A 593 -4.611 12.408 -8.350 1.00 0.00 C ATOM 432 NH1 ARG A 593 -4.884 11.748 -7.260 1.00 0.00 N ATOM 433 NH2 ARG A 593 -5.068 13.624 -8.443 1.00 0.00 N ATOM 0 H ARG A 593 0.246 7.407 -8.316 1.00 0.00 H new ATOM 0 HA ARG A 593 0.564 9.403 -10.448 1.00 0.00 H new ATOM 0 HB2 ARG A 593 -1.632 8.562 -9.836 1.00 0.00 H new ATOM 0 HB3 ARG A 593 -1.348 8.909 -8.142 1.00 0.00 H new ATOM 0 HG2 ARG A 593 -1.434 11.301 -8.522 1.00 0.00 H new ATOM 0 HG3 ARG A 593 -1.379 11.095 -10.262 1.00 0.00 H new ATOM 0 HD2 ARG A 593 -3.585 10.028 -10.280 1.00 0.00 H new ATOM 0 HD3 ARG A 593 -3.623 9.958 -8.529 1.00 0.00 H new ATOM 0 HE ARG A 593 -3.767 12.475 -10.158 1.00 0.00 H new ATOM 0 HH11 ARG A 593 -4.545 10.793 -7.143 1.00 0.00 H new ATOM 0 HH12 ARG A 593 -5.437 12.186 -6.523 1.00 0.00 H new ATOM 0 HH21 ARG A 593 -4.877 14.178 -9.278 1.00 0.00 H new ATOM 0 HH22 ARG A 593 -5.617 14.022 -7.681 1.00 0.00 H new ATOM 447 N LEU A 594 1.885 11.123 -9.383 1.00 0.00 N ATOM 448 CA LEU A 594 2.804 12.127 -8.819 1.00 0.00 C ATOM 449 C LEU A 594 2.087 13.248 -8.035 1.00 0.00 C ATOM 450 O LEU A 594 2.667 13.822 -7.112 1.00 0.00 O ATOM 451 CB LEU A 594 3.673 12.718 -9.946 1.00 0.00 C ATOM 452 CG LEU A 594 4.558 11.705 -10.704 1.00 0.00 C ATOM 453 CD1 LEU A 594 5.354 12.432 -11.789 1.00 0.00 C ATOM 454 CD2 LEU A 594 5.548 10.982 -9.789 1.00 0.00 C ATOM 0 H LEU A 594 1.833 11.149 -10.401 1.00 0.00 H new ATOM 0 HA LEU A 594 3.433 11.614 -8.091 1.00 0.00 H new ATOM 0 HB2 LEU A 594 3.019 13.211 -10.665 1.00 0.00 H new ATOM 0 HB3 LEU A 594 4.316 13.488 -9.519 1.00 0.00 H new ATOM 0 HG LEU A 594 3.887 10.961 -11.133 1.00 0.00 H new ATOM 0 HD11 LEU A 594 5.978 11.716 -12.323 1.00 0.00 H new ATOM 0 HD12 LEU A 594 4.666 12.907 -12.489 1.00 0.00 H new ATOM 0 HD13 LEU A 594 5.986 13.192 -11.329 1.00 0.00 H new ATOM 0 HD21 LEU A 594 6.143 10.283 -10.377 1.00 0.00 H new ATOM 0 HD22 LEU A 594 6.206 11.711 -9.317 1.00 0.00 H new ATOM 0 HD23 LEU A 594 5.001 10.436 -9.020 1.00 0.00 H new ATOM 466 N ALA A 595 0.818 13.523 -8.357 1.00 0.00 N ATOM 467 CA ALA A 595 -0.043 14.458 -7.621 1.00 0.00 C ATOM 468 C ALA A 595 -0.584 13.892 -6.284 1.00 0.00 C ATOM 469 O ALA A 595 -1.165 14.636 -5.489 1.00 0.00 O ATOM 470 CB ALA A 595 -1.182 14.876 -8.559 1.00 0.00 C ATOM 0 H ALA A 595 0.350 13.092 -9.154 1.00 0.00 H new ATOM 0 HA ALA A 595 0.555 15.320 -7.326 1.00 0.00 H new ATOM 0 HB1 ALA A 595 -1.842 15.573 -8.042 1.00 0.00 H new ATOM 0 HB2 ALA A 595 -0.766 15.359 -9.444 1.00 0.00 H new ATOM 0 HB3 ALA A 595 -1.748 13.994 -8.859 1.00 0.00 H new ATOM 476 N CYS A 596 -0.400 12.588 -6.041 1.00 0.00 N ATOM 477 CA CYS A 596 -0.906 11.831 -4.896 1.00 0.00 C ATOM 478 C CYS A 596 0.238 11.379 -3.968 1.00 0.00 C ATOM 479 O CYS A 596 0.293 11.791 -2.805 1.00 0.00 O ATOM 480 CB CYS A 596 -1.699 10.670 -5.494 1.00 0.00 C ATOM 481 SG CYS A 596 -2.340 9.520 -4.234 1.00 0.00 S ATOM 0 H CYS A 596 0.139 12.001 -6.678 1.00 0.00 H new ATOM 0 HA CYS A 596 -1.547 12.434 -4.252 1.00 0.00 H new ATOM 0 HB2 CYS A 596 -2.533 11.067 -6.073 1.00 0.00 H new ATOM 0 HB3 CYS A 596 -1.062 10.121 -6.188 1.00 0.00 H new ATOM 486 N GLY A 597 1.179 10.595 -4.514 1.00 0.00 N ATOM 487 CA GLY A 597 2.452 10.213 -3.888 1.00 0.00 C ATOM 488 C GLY A 597 2.307 9.659 -2.464 1.00 0.00 C ATOM 489 O GLY A 597 2.878 10.214 -1.522 1.00 0.00 O ATOM 0 H GLY A 597 1.068 10.193 -5.445 1.00 0.00 H new ATOM 0 HA2 GLY A 597 2.940 9.463 -4.510 1.00 0.00 H new ATOM 0 HA3 GLY A 597 3.108 11.083 -3.863 1.00 0.00 H new ATOM 493 N PHE A 598 1.514 8.596 -2.299 1.00 0.00 N ATOM 494 CA PHE A 598 1.085 8.068 -1.005 1.00 0.00 C ATOM 495 C PHE A 598 1.845 6.796 -0.623 1.00 0.00 C ATOM 496 O PHE A 598 2.315 6.059 -1.491 1.00 0.00 O ATOM 497 CB PHE A 598 -0.440 7.869 -0.998 1.00 0.00 C ATOM 498 CG PHE A 598 -1.017 7.709 0.400 1.00 0.00 C ATOM 499 CD1 PHE A 598 -0.962 8.780 1.313 1.00 0.00 C ATOM 500 CD2 PHE A 598 -1.592 6.491 0.803 1.00 0.00 C ATOM 501 CE1 PHE A 598 -1.511 8.649 2.604 1.00 0.00 C ATOM 502 CE2 PHE A 598 -2.135 6.361 2.096 1.00 0.00 C ATOM 503 CZ PHE A 598 -2.111 7.439 2.991 1.00 0.00 C ATOM 0 H PHE A 598 1.143 8.065 -3.087 1.00 0.00 H new ATOM 0 HA PHE A 598 1.331 8.799 -0.235 1.00 0.00 H new ATOM 0 HB2 PHE A 598 -0.913 8.722 -1.484 1.00 0.00 H new ATOM 0 HB3 PHE A 598 -0.688 6.987 -1.589 1.00 0.00 H new ATOM 0 HD1 PHE A 598 -0.495 9.709 1.021 1.00 0.00 H new ATOM 0 HD2 PHE A 598 -1.617 5.654 0.121 1.00 0.00 H new ATOM 0 HE1 PHE A 598 -1.471 9.478 3.295 1.00 0.00 H new ATOM 0 HE2 PHE A 598 -2.574 5.422 2.400 1.00 0.00 H new ATOM 0 HZ PHE A 598 -2.551 7.340 3.972 1.00 0.00 H new ATOM 513 N ASP A 599 1.955 6.547 0.681 1.00 0.00 N ATOM 514 CA ASP A 599 2.728 5.458 1.280 1.00 0.00 C ATOM 515 C ASP A 599 1.867 4.735 2.321 1.00 0.00 C ATOM 516 O ASP A 599 1.593 5.278 3.396 1.00 0.00 O ATOM 517 CB ASP A 599 4.007 6.064 1.879 1.00 0.00 C ATOM 518 CG ASP A 599 4.906 5.051 2.598 1.00 0.00 C ATOM 519 OD1 ASP A 599 4.824 3.832 2.331 1.00 0.00 O ATOM 520 OD2 ASP A 599 5.763 5.487 3.401 1.00 0.00 O ATOM 0 H ASP A 599 1.487 7.124 1.380 1.00 0.00 H new ATOM 0 HA ASP A 599 3.017 4.711 0.541 1.00 0.00 H new ATOM 0 HB2 ASP A 599 4.579 6.538 1.081 1.00 0.00 H new ATOM 0 HB3 ASP A 599 3.729 6.849 2.582 1.00 0.00 H new ATOM 525 N PHE A 600 1.402 3.528 1.984 1.00 0.00 N ATOM 526 CA PHE A 600 0.379 2.813 2.747 1.00 0.00 C ATOM 527 C PHE A 600 0.747 1.387 3.168 1.00 0.00 C ATOM 528 O PHE A 600 1.549 0.700 2.531 1.00 0.00 O ATOM 529 CB PHE A 600 -0.947 2.844 1.977 1.00 0.00 C ATOM 530 CG PHE A 600 -1.001 2.093 0.660 1.00 0.00 C ATOM 531 CD1 PHE A 600 -0.665 2.749 -0.540 1.00 0.00 C ATOM 532 CD2 PHE A 600 -1.479 0.770 0.617 1.00 0.00 C ATOM 533 CE1 PHE A 600 -0.819 2.091 -1.772 1.00 0.00 C ATOM 534 CE2 PHE A 600 -1.632 0.110 -0.615 1.00 0.00 C ATOM 535 CZ PHE A 600 -1.310 0.773 -1.811 1.00 0.00 C ATOM 0 H PHE A 600 1.730 3.016 1.165 1.00 0.00 H new ATOM 0 HA PHE A 600 0.284 3.346 3.693 1.00 0.00 H new ATOM 0 HB2 PHE A 600 -1.725 2.443 2.627 1.00 0.00 H new ATOM 0 HB3 PHE A 600 -1.201 3.886 1.782 1.00 0.00 H new ATOM 0 HD1 PHE A 600 -0.288 3.761 -0.513 1.00 0.00 H new ATOM 0 HD2 PHE A 600 -1.730 0.259 1.535 1.00 0.00 H new ATOM 0 HE1 PHE A 600 -0.560 2.598 -2.690 1.00 0.00 H new ATOM 0 HE2 PHE A 600 -1.997 -0.906 -0.642 1.00 0.00 H new ATOM 0 HZ PHE A 600 -1.439 0.272 -2.759 1.00 0.00 H new ATOM 545 N CYS A 601 0.104 0.955 4.254 1.00 0.00 N ATOM 546 CA CYS A 601 0.088 -0.415 4.742 1.00 0.00 C ATOM 547 C CYS A 601 -0.879 -1.249 3.886 1.00 0.00 C ATOM 548 O CYS A 601 -2.068 -0.934 3.775 1.00 0.00 O ATOM 549 CB CYS A 601 -0.338 -0.374 6.209 1.00 0.00 C ATOM 550 SG CYS A 601 -0.502 -2.073 6.858 1.00 0.00 S ATOM 0 H CYS A 601 -0.444 1.584 4.841 1.00 0.00 H new ATOM 0 HA CYS A 601 1.070 -0.882 4.668 1.00 0.00 H new ATOM 0 HB2 CYS A 601 0.397 0.179 6.795 1.00 0.00 H new ATOM 0 HB3 CYS A 601 -1.286 0.155 6.306 1.00 0.00 H new ATOM 555 N VAL A 602 -0.380 -2.325 3.280 1.00 0.00 N ATOM 556 CA VAL A 602 -1.162 -3.161 2.344 1.00 0.00 C ATOM 557 C VAL A 602 -2.145 -4.108 3.044 1.00 0.00 C ATOM 558 O VAL A 602 -2.949 -4.760 2.375 1.00 0.00 O ATOM 559 CB VAL A 602 -0.246 -3.926 1.375 1.00 0.00 C ATOM 560 CG1 VAL A 602 0.666 -2.952 0.619 1.00 0.00 C ATOM 561 CG2 VAL A 602 0.585 -4.999 2.087 1.00 0.00 C ATOM 0 H VAL A 602 0.577 -2.650 3.418 1.00 0.00 H new ATOM 0 HA VAL A 602 -1.772 -2.468 1.765 1.00 0.00 H new ATOM 0 HB VAL A 602 -0.889 -4.440 0.660 1.00 0.00 H new ATOM 0 HG11 VAL A 602 1.308 -3.510 -0.063 1.00 0.00 H new ATOM 0 HG12 VAL A 602 0.056 -2.250 0.051 1.00 0.00 H new ATOM 0 HG13 VAL A 602 1.283 -2.404 1.331 1.00 0.00 H new ATOM 0 HG21 VAL A 602 1.216 -5.512 1.361 1.00 0.00 H new ATOM 0 HG22 VAL A 602 1.212 -4.530 2.845 1.00 0.00 H new ATOM 0 HG23 VAL A 602 -0.081 -5.719 2.562 1.00 0.00 H new ATOM 571 N LEU A 603 -2.091 -4.188 4.380 1.00 0.00 N ATOM 572 CA LEU A 603 -2.947 -5.051 5.201 1.00 0.00 C ATOM 573 C LEU A 603 -4.203 -4.330 5.734 1.00 0.00 C ATOM 574 O LEU A 603 -5.247 -4.972 5.872 1.00 0.00 O ATOM 575 CB LEU A 603 -2.116 -5.620 6.363 1.00 0.00 C ATOM 576 CG LEU A 603 -0.961 -6.551 5.949 1.00 0.00 C ATOM 577 CD1 LEU A 603 -0.199 -7.013 7.190 1.00 0.00 C ATOM 578 CD2 LEU A 603 -1.452 -7.796 5.204 1.00 0.00 C ATOM 0 H LEU A 603 -1.433 -3.639 4.933 1.00 0.00 H new ATOM 0 HA LEU A 603 -3.312 -5.857 4.564 1.00 0.00 H new ATOM 0 HB2 LEU A 603 -1.704 -4.789 6.935 1.00 0.00 H new ATOM 0 HB3 LEU A 603 -2.781 -6.168 7.030 1.00 0.00 H new ATOM 0 HG LEU A 603 -0.319 -5.977 5.281 1.00 0.00 H new ATOM 0 HD11 LEU A 603 0.617 -7.671 6.892 1.00 0.00 H new ATOM 0 HD12 LEU A 603 0.206 -6.146 7.712 1.00 0.00 H new ATOM 0 HD13 LEU A 603 -0.876 -7.552 7.853 1.00 0.00 H new ATOM 0 HD21 LEU A 603 -0.599 -8.419 4.935 1.00 0.00 H new ATOM 0 HD22 LEU A 603 -2.126 -8.362 5.847 1.00 0.00 H new ATOM 0 HD23 LEU A 603 -1.981 -7.494 4.300 1.00 0.00 H new ATOM 590 N CYS A 604 -4.116 -3.018 6.010 1.00 0.00 N ATOM 591 CA CYS A 604 -5.212 -2.197 6.558 1.00 0.00 C ATOM 592 C CYS A 604 -5.535 -0.897 5.782 1.00 0.00 C ATOM 593 O CYS A 604 -6.471 -0.172 6.140 1.00 0.00 O ATOM 594 CB CYS A 604 -4.996 -1.973 8.062 1.00 0.00 C ATOM 595 SG CYS A 604 -3.493 -1.039 8.476 1.00 0.00 S ATOM 0 H CYS A 604 -3.261 -2.484 5.855 1.00 0.00 H new ATOM 0 HA CYS A 604 -6.124 -2.777 6.414 1.00 0.00 H new ATOM 0 HB2 CYS A 604 -5.860 -1.445 8.466 1.00 0.00 H new ATOM 0 HB3 CYS A 604 -4.955 -2.942 8.559 1.00 0.00 H new ATOM 600 N LEU A 605 -4.818 -0.636 4.685 1.00 0.00 N ATOM 601 CA LEU A 605 -5.045 0.463 3.728 1.00 0.00 C ATOM 602 C LEU A 605 -5.050 1.871 4.362 1.00 0.00 C ATOM 603 O LEU A 605 -5.743 2.783 3.904 1.00 0.00 O ATOM 604 CB LEU A 605 -6.266 0.150 2.833 1.00 0.00 C ATOM 605 CG LEU A 605 -6.065 -1.024 1.858 1.00 0.00 C ATOM 606 CD1 LEU A 605 -7.376 -1.307 1.121 1.00 0.00 C ATOM 607 CD2 LEU A 605 -4.993 -0.723 0.806 1.00 0.00 C ATOM 0 H LEU A 605 -4.020 -1.214 4.422 1.00 0.00 H new ATOM 0 HA LEU A 605 -4.175 0.512 3.074 1.00 0.00 H new ATOM 0 HB2 LEU A 605 -7.121 -0.069 3.472 1.00 0.00 H new ATOM 0 HB3 LEU A 605 -6.517 1.042 2.259 1.00 0.00 H new ATOM 0 HG LEU A 605 -5.747 -1.882 2.451 1.00 0.00 H new ATOM 0 HD11 LEU A 605 -7.233 -2.138 0.431 1.00 0.00 H new ATOM 0 HD12 LEU A 605 -8.151 -1.564 1.843 1.00 0.00 H new ATOM 0 HD13 LEU A 605 -7.679 -0.421 0.564 1.00 0.00 H new ATOM 0 HD21 LEU A 605 -4.886 -1.579 0.140 1.00 0.00 H new ATOM 0 HD22 LEU A 605 -5.287 0.152 0.227 1.00 0.00 H new ATOM 0 HD23 LEU A 605 -4.042 -0.527 1.301 1.00 0.00 H new ATOM 619 N CYS A 606 -4.241 2.052 5.407 1.00 0.00 N ATOM 620 CA CYS A 606 -3.959 3.336 6.056 1.00 0.00 C ATOM 621 C CYS A 606 -2.503 3.757 5.794 1.00 0.00 C ATOM 622 O CYS A 606 -1.721 2.985 5.233 1.00 0.00 O ATOM 623 CB CYS A 606 -4.272 3.205 7.556 1.00 0.00 C ATOM 624 SG CYS A 606 -6.023 2.774 7.788 1.00 0.00 S ATOM 0 H CYS A 606 -3.743 1.276 5.843 1.00 0.00 H new ATOM 0 HA CYS A 606 -4.589 4.123 5.641 1.00 0.00 H new ATOM 0 HB2 CYS A 606 -3.638 2.439 8.003 1.00 0.00 H new ATOM 0 HB3 CYS A 606 -4.049 4.142 8.066 1.00 0.00 H new ATOM 0 HG CYS A 606 -6.319 1.748 7.046 1.00 0.00 H new ATOM 630 N ALA A 607 -2.121 4.969 6.208 1.00 0.00 N ATOM 631 CA ALA A 607 -0.738 5.442 6.106 1.00 0.00 C ATOM 632 C ALA A 607 0.241 4.443 6.760 1.00 0.00 C ATOM 633 O ALA A 607 -0.026 3.912 7.844 1.00 0.00 O ATOM 634 CB ALA A 607 -0.633 6.838 6.729 1.00 0.00 C ATOM 0 H ALA A 607 -2.760 5.648 6.622 1.00 0.00 H new ATOM 0 HA ALA A 607 -0.456 5.511 5.055 1.00 0.00 H new ATOM 0 HB1 ALA A 607 0.395 7.193 6.655 1.00 0.00 H new ATOM 0 HB2 ALA A 607 -1.293 7.524 6.198 1.00 0.00 H new ATOM 0 HB3 ALA A 607 -0.926 6.791 7.778 1.00 0.00 H new ATOM 640 N TYR A 608 1.356 4.162 6.082 1.00 0.00 N ATOM 641 CA TYR A 608 2.284 3.085 6.437 1.00 0.00 C ATOM 642 C TYR A 608 2.838 3.205 7.866 1.00 0.00 C ATOM 643 O TYR A 608 3.279 4.279 8.290 1.00 0.00 O ATOM 644 CB TYR A 608 3.418 3.054 5.410 1.00 0.00 C ATOM 645 CG TYR A 608 4.407 1.925 5.604 1.00 0.00 C ATOM 646 CD1 TYR A 608 4.025 0.605 5.295 1.00 0.00 C ATOM 647 CD2 TYR A 608 5.720 2.198 6.035 1.00 0.00 C ATOM 648 CE1 TYR A 608 4.976 -0.429 5.333 1.00 0.00 C ATOM 649 CE2 TYR A 608 6.673 1.164 6.081 1.00 0.00 C ATOM 650 CZ TYR A 608 6.312 -0.141 5.685 1.00 0.00 C ATOM 651 OH TYR A 608 7.278 -1.080 5.513 1.00 0.00 O ATOM 0 H TYR A 608 1.645 4.686 5.256 1.00 0.00 H new ATOM 0 HA TYR A 608 1.730 2.147 6.418 1.00 0.00 H new ATOM 0 HB2 TYR A 608 2.986 2.975 4.412 1.00 0.00 H new ATOM 0 HB3 TYR A 608 3.955 4.002 5.451 1.00 0.00 H new ATOM 0 HD1 TYR A 608 3.001 0.387 5.029 1.00 0.00 H new ATOM 0 HD2 TYR A 608 5.995 3.200 6.330 1.00 0.00 H new ATOM 0 HE1 TYR A 608 4.685 -1.441 5.094 1.00 0.00 H new ATOM 0 HE2 TYR A 608 7.678 1.369 6.419 1.00 0.00 H new ATOM 0 HH TYR A 608 6.875 -1.904 5.169 1.00 0.00 H new ATOM 661 N HIS A 609 2.827 2.085 8.596 1.00 0.00 N ATOM 662 CA HIS A 609 3.179 2.011 10.020 1.00 0.00 C ATOM 663 C HIS A 609 4.258 0.954 10.349 1.00 0.00 C ATOM 664 O HIS A 609 4.388 0.517 11.497 1.00 0.00 O ATOM 665 CB HIS A 609 1.887 1.883 10.848 1.00 0.00 C ATOM 666 CG HIS A 609 1.099 0.621 10.593 1.00 0.00 C ATOM 667 ND1 HIS A 609 1.410 -0.628 11.068 1.00 0.00 N ATOM 668 CD2 HIS A 609 -0.076 0.505 9.895 1.00 0.00 C ATOM 669 CE1 HIS A 609 0.452 -1.479 10.684 1.00 0.00 C ATOM 670 NE2 HIS A 609 -0.484 -0.844 9.939 1.00 0.00 N ATOM 0 H HIS A 609 2.566 1.180 8.204 1.00 0.00 H new ATOM 0 HA HIS A 609 3.673 2.940 10.304 1.00 0.00 H new ATOM 0 HB2 HIS A 609 2.144 1.928 11.906 1.00 0.00 H new ATOM 0 HB3 HIS A 609 1.250 2.742 10.638 1.00 0.00 H new ATOM 0 HD1 HIS A 609 2.233 -0.867 11.621 1.00 0.00 H new ATOM 0 HD2 HIS A 609 -0.599 1.309 9.397 1.00 0.00 H new ATOM 0 HE1 HIS A 609 0.428 -2.529 10.934 1.00 0.00 H new ATOM 678 N GLY A 610 5.049 0.546 9.350 1.00 0.00 N ATOM 679 CA GLY A 610 6.219 -0.326 9.519 1.00 0.00 C ATOM 680 C GLY A 610 5.907 -1.665 10.201 1.00 0.00 C ATOM 681 O GLY A 610 5.024 -2.410 9.768 1.00 0.00 O ATOM 0 H GLY A 610 4.891 0.818 8.380 1.00 0.00 H new ATOM 0 HA2 GLY A 610 6.657 -0.522 8.541 1.00 0.00 H new ATOM 0 HA3 GLY A 610 6.971 0.202 10.105 1.00 0.00 H new ATOM 685 N SER A 611 6.643 -1.968 11.275 1.00 0.00 N ATOM 686 CA SER A 611 6.524 -3.206 12.069 1.00 0.00 C ATOM 687 C SER A 611 5.453 -3.164 13.174 1.00 0.00 C ATOM 688 O SER A 611 5.234 -4.171 13.854 1.00 0.00 O ATOM 689 CB SER A 611 7.897 -3.558 12.659 1.00 0.00 C ATOM 690 OG SER A 611 8.398 -2.485 13.446 1.00 0.00 O ATOM 0 H SER A 611 7.364 -1.340 11.632 1.00 0.00 H new ATOM 0 HA SER A 611 6.184 -3.981 11.382 1.00 0.00 H new ATOM 0 HB2 SER A 611 7.816 -4.457 13.271 1.00 0.00 H new ATOM 0 HB3 SER A 611 8.597 -3.783 11.854 1.00 0.00 H new ATOM 0 HG SER A 611 9.273 -2.730 13.814 1.00 0.00 H new ATOM 696 N GLU A 612 4.762 -2.033 13.371 1.00 0.00 N ATOM 697 CA GLU A 612 3.652 -1.900 14.322 1.00 0.00 C ATOM 698 C GLU A 612 2.406 -2.696 13.871 1.00 0.00 C ATOM 699 O GLU A 612 2.250 -3.014 12.689 1.00 0.00 O ATOM 700 CB GLU A 612 3.349 -0.402 14.512 1.00 0.00 C ATOM 701 CG GLU A 612 2.641 -0.107 15.835 1.00 0.00 C ATOM 702 CD GLU A 612 2.533 1.411 16.085 1.00 0.00 C ATOM 703 OE1 GLU A 612 1.538 2.038 15.649 1.00 0.00 O ATOM 704 OE2 GLU A 612 3.440 1.988 16.736 1.00 0.00 O ATOM 0 H GLU A 612 4.963 -1.171 12.865 1.00 0.00 H new ATOM 0 HA GLU A 612 3.941 -2.331 15.280 1.00 0.00 H new ATOM 0 HB2 GLU A 612 4.281 0.161 14.470 1.00 0.00 H new ATOM 0 HB3 GLU A 612 2.728 -0.053 13.687 1.00 0.00 H new ATOM 0 HG2 GLU A 612 1.644 -0.548 15.823 1.00 0.00 H new ATOM 0 HG3 GLU A 612 3.187 -0.575 16.654 1.00 0.00 H new ATOM 711 N ASP A 613 1.502 -3.021 14.797 1.00 0.00 N ATOM 712 CA ASP A 613 0.272 -3.776 14.512 1.00 0.00 C ATOM 713 C ASP A 613 -0.805 -2.929 13.803 1.00 0.00 C ATOM 714 O ASP A 613 -0.985 -1.742 14.102 1.00 0.00 O ATOM 715 CB ASP A 613 -0.292 -4.375 15.809 1.00 0.00 C ATOM 716 CG ASP A 613 0.646 -5.429 16.419 1.00 0.00 C ATOM 717 OD1 ASP A 613 0.676 -6.578 15.914 1.00 0.00 O ATOM 718 OD2 ASP A 613 1.343 -5.120 17.416 1.00 0.00 O ATOM 0 H ASP A 613 1.601 -2.766 15.780 1.00 0.00 H new ATOM 0 HA ASP A 613 0.545 -4.576 13.824 1.00 0.00 H new ATOM 0 HB2 ASP A 613 -0.459 -3.577 16.533 1.00 0.00 H new ATOM 0 HB3 ASP A 613 -1.262 -4.829 15.606 1.00 0.00 H new ATOM 723 N CYS A 614 -1.554 -3.553 12.886 1.00 0.00 N ATOM 724 CA CYS A 614 -2.682 -2.952 12.171 1.00 0.00 C ATOM 725 C CYS A 614 -3.913 -2.691 13.073 1.00 0.00 C ATOM 726 O CYS A 614 -4.083 -3.287 14.144 1.00 0.00 O ATOM 727 CB CYS A 614 -3.053 -3.862 10.985 1.00 0.00 C ATOM 728 SG CYS A 614 -1.742 -3.906 9.729 1.00 0.00 S ATOM 0 H CYS A 614 -1.385 -4.521 12.614 1.00 0.00 H new ATOM 0 HA CYS A 614 -2.369 -1.970 11.816 1.00 0.00 H new ATOM 0 HB2 CYS A 614 -3.242 -4.872 11.348 1.00 0.00 H new ATOM 0 HB3 CYS A 614 -3.979 -3.508 10.531 1.00 0.00 H new ATOM 733 N ARG A 615 -4.803 -1.816 12.587 1.00 0.00 N ATOM 734 CA ARG A 615 -6.131 -1.523 13.163 1.00 0.00 C ATOM 735 C ARG A 615 -7.108 -2.710 13.066 1.00 0.00 C ATOM 736 O ARG A 615 -6.889 -3.658 12.305 1.00 0.00 O ATOM 737 CB ARG A 615 -6.723 -0.276 12.474 1.00 0.00 C ATOM 738 CG ARG A 615 -6.921 -0.481 10.962 1.00 0.00 C ATOM 739 CD ARG A 615 -7.819 0.588 10.334 1.00 0.00 C ATOM 740 NE ARG A 615 -8.078 0.267 8.917 1.00 0.00 N ATOM 741 CZ ARG A 615 -8.983 -0.570 8.442 1.00 0.00 C ATOM 742 NH1 ARG A 615 -9.848 -1.177 9.198 1.00 0.00 N ATOM 743 NH2 ARG A 615 -9.023 -0.832 7.171 1.00 0.00 N ATOM 0 H ARG A 615 -4.614 -1.268 11.748 1.00 0.00 H new ATOM 0 HA ARG A 615 -5.991 -1.333 14.227 1.00 0.00 H new ATOM 0 HB2 ARG A 615 -7.681 -0.030 12.933 1.00 0.00 H new ATOM 0 HB3 ARG A 615 -6.063 0.575 12.639 1.00 0.00 H new ATOM 0 HG2 ARG A 615 -5.950 -0.470 10.468 1.00 0.00 H new ATOM 0 HG3 ARG A 615 -7.357 -1.465 10.787 1.00 0.00 H new ATOM 0 HD2 ARG A 615 -8.761 0.648 10.879 1.00 0.00 H new ATOM 0 HD3 ARG A 615 -7.343 1.565 10.412 1.00 0.00 H new ATOM 0 HE ARG A 615 -7.495 0.743 8.229 1.00 0.00 H new ATOM 0 HH11 ARG A 615 -9.847 -1.016 10.205 1.00 0.00 H new ATOM 0 HH12 ARG A 615 -10.528 -1.815 8.784 1.00 0.00 H new ATOM 0 HH21 ARG A 615 -8.355 -0.391 6.538 1.00 0.00 H new ATOM 0 HH22 ARG A 615 -9.722 -1.478 6.805 1.00 0.00 H new ATOM 757 N ARG A 616 -8.229 -2.616 13.791 1.00 0.00 N ATOM 758 CA ARG A 616 -9.395 -3.515 13.652 1.00 0.00 C ATOM 759 C ARG A 616 -10.243 -3.164 12.416 1.00 0.00 C ATOM 760 O ARG A 616 -10.126 -2.060 11.873 1.00 0.00 O ATOM 761 CB ARG A 616 -10.214 -3.541 14.954 1.00 0.00 C ATOM 762 CG ARG A 616 -10.896 -2.205 15.300 1.00 0.00 C ATOM 763 CD ARG A 616 -11.661 -2.295 16.626 1.00 0.00 C ATOM 764 NE ARG A 616 -12.868 -3.145 16.518 1.00 0.00 N ATOM 765 CZ ARG A 616 -13.067 -4.346 17.035 1.00 0.00 C ATOM 766 NH1 ARG A 616 -12.163 -4.965 17.743 1.00 0.00 N ATOM 767 NH2 ARG A 616 -14.199 -4.962 16.845 1.00 0.00 N ATOM 0 H ARG A 616 -8.360 -1.901 14.506 1.00 0.00 H new ATOM 0 HA ARG A 616 -9.030 -4.528 13.482 1.00 0.00 H new ATOM 0 HB2 ARG A 616 -10.977 -4.315 14.874 1.00 0.00 H new ATOM 0 HB3 ARG A 616 -9.558 -3.824 15.777 1.00 0.00 H new ATOM 0 HG2 ARG A 616 -10.145 -1.417 15.364 1.00 0.00 H new ATOM 0 HG3 ARG A 616 -11.582 -1.927 14.500 1.00 0.00 H new ATOM 0 HD2 ARG A 616 -11.003 -2.697 17.397 1.00 0.00 H new ATOM 0 HD3 ARG A 616 -11.951 -1.294 16.945 1.00 0.00 H new ATOM 0 HE ARG A 616 -13.642 -2.757 15.978 1.00 0.00 H new ATOM 0 HH11 ARG A 616 -11.260 -4.523 17.917 1.00 0.00 H new ATOM 0 HH12 ARG A 616 -12.359 -5.891 18.123 1.00 0.00 H new ATOM 0 HH21 ARG A 616 -14.935 -4.518 16.296 1.00 0.00 H new ATOM 0 HH22 ARG A 616 -14.349 -5.888 17.245 1.00 0.00 H new ATOM 781 N GLY A 617 -11.114 -4.089 11.999 1.00 0.00 N ATOM 782 CA GLY A 617 -12.019 -3.964 10.838 1.00 0.00 C ATOM 783 C GLY A 617 -11.344 -4.263 9.498 1.00 0.00 C ATOM 784 O GLY A 617 -11.387 -3.386 8.606 1.00 0.00 O ATOM 785 OXT GLY A 617 -10.792 -5.374 9.348 1.00 0.00 O ATOM 0 H GLY A 617 -11.216 -4.984 12.477 1.00 0.00 H new ATOM 0 HA2 GLY A 617 -12.861 -4.643 10.970 1.00 0.00 H new ATOM 0 HA3 GLY A 617 -12.426 -2.953 10.813 1.00 0.00 H new TER 789 GLY A 617 HETATM 790 ZN ZN A 701 -2.673 7.591 -5.183 1.00 0.00 ZN HETATM 791 ZN ZN A 702 -1.554 -1.974 8.759 1.00 0.00 ZN