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 33:sc= 0.216 USER MOD Single : A 571 LYS NZ :NH3+ -176:sc= 1.14 (180deg=1.12) USER MOD Single : A 577 GLN : amide:sc= 0.909 K(o=0.91,f=0) USER MOD Single : A 578 SER OG : rot 180:sc=-0.00256 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 K(o=0,f=-0.57) USER MOD Single : A 585 HIS : no HD1:sc= 0.246 K(o=0.25,f=-2.7!) 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 -35:sc= 0.0857 USER MOD Single : A 606 CYS SG : rot 180:sc= 0 USER MOD Single : A 608 TYR OH : rot 4:sc= 0.0131 USER MOD Single : A 611 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 566 -0.158 -14.171 -16.640 1.00 0.00 N ATOM 2 CA THR A 566 -1.532 -14.429 -16.137 1.00 0.00 C ATOM 3 C THR A 566 -1.709 -13.935 -14.705 1.00 0.00 C ATOM 4 O THR A 566 -2.434 -12.965 -14.491 1.00 0.00 O ATOM 5 CB THR A 566 -1.937 -15.899 -16.292 1.00 0.00 C ATOM 6 OG1 THR A 566 -1.676 -16.292 -17.621 1.00 0.00 O ATOM 7 CG2 THR A 566 -3.426 -16.137 -16.037 1.00 0.00 C ATOM 0 HA THR A 566 -2.213 -13.851 -16.762 1.00 0.00 H new ATOM 0 HB THR A 566 -1.367 -16.470 -15.559 1.00 0.00 H new ATOM 0 HG1 THR A 566 -0.888 -15.814 -17.955 1.00 0.00 H new ATOM 0 HG21 THR A 566 -3.652 -17.196 -16.162 1.00 0.00 H new ATOM 0 HG22 THR A 566 -3.675 -15.830 -15.021 1.00 0.00 H new ATOM 0 HG23 THR A 566 -4.014 -15.555 -16.746 1.00 0.00 H new ATOM 15 N ASP A 567 -1.058 -14.555 -13.712 1.00 0.00 N ATOM 16 CA ASP A 567 -1.141 -14.140 -12.302 1.00 0.00 C ATOM 17 C ASP A 567 -0.274 -12.897 -12.007 1.00 0.00 C ATOM 18 O ASP A 567 0.894 -12.833 -12.400 1.00 0.00 O ATOM 19 CB ASP A 567 -0.756 -15.323 -11.403 1.00 0.00 C ATOM 20 CG ASP A 567 -0.900 -14.979 -9.911 1.00 0.00 C ATOM 21 OD1 ASP A 567 -2.050 -14.789 -9.445 1.00 0.00 O ATOM 22 OD2 ASP A 567 0.130 -14.906 -9.200 1.00 0.00 O ATOM 0 H ASP A 567 -0.455 -15.364 -13.863 1.00 0.00 H new ATOM 0 HA ASP A 567 -2.169 -13.847 -12.088 1.00 0.00 H new ATOM 0 HB2 ASP A 567 -1.386 -16.180 -11.641 1.00 0.00 H new ATOM 0 HB3 ASP A 567 0.273 -15.617 -11.610 1.00 0.00 H new ATOM 27 N GLU A 568 -0.842 -11.911 -11.310 1.00 0.00 N ATOM 28 CA GLU A 568 -0.197 -10.655 -10.907 1.00 0.00 C ATOM 29 C GLU A 568 -0.827 -10.069 -9.626 1.00 0.00 C ATOM 30 O GLU A 568 -1.943 -10.440 -9.245 1.00 0.00 O ATOM 31 CB GLU A 568 -0.267 -9.641 -12.065 1.00 0.00 C ATOM 32 CG GLU A 568 -1.688 -9.238 -12.491 1.00 0.00 C ATOM 33 CD GLU A 568 -1.644 -8.220 -13.646 1.00 0.00 C ATOM 34 OE1 GLU A 568 -1.602 -8.635 -14.832 1.00 0.00 O ATOM 35 OE2 GLU A 568 -1.657 -6.993 -13.381 1.00 0.00 O ATOM 0 H GLU A 568 -1.811 -11.967 -10.995 1.00 0.00 H new ATOM 0 HA GLU A 568 0.847 -10.868 -10.678 1.00 0.00 H new ATOM 0 HB2 GLU A 568 0.278 -8.743 -11.775 1.00 0.00 H new ATOM 0 HB3 GLU A 568 0.249 -10.062 -12.928 1.00 0.00 H new ATOM 0 HG2 GLU A 568 -2.244 -10.123 -12.801 1.00 0.00 H new ATOM 0 HG3 GLU A 568 -2.219 -8.809 -11.642 1.00 0.00 H new ATOM 42 N ALA A 569 -0.132 -9.131 -8.972 1.00 0.00 N ATOM 43 CA ALA A 569 -0.632 -8.385 -7.817 1.00 0.00 C ATOM 44 C ALA A 569 -0.100 -6.944 -7.799 1.00 0.00 C ATOM 45 O ALA A 569 1.109 -6.721 -7.724 1.00 0.00 O ATOM 46 CB ALA A 569 -0.233 -9.103 -6.522 1.00 0.00 C ATOM 0 H ALA A 569 0.816 -8.865 -9.239 1.00 0.00 H new ATOM 0 HA ALA A 569 -1.718 -8.339 -7.893 1.00 0.00 H new ATOM 0 HB1 ALA A 569 -0.608 -8.543 -5.665 1.00 0.00 H new ATOM 0 HB2 ALA A 569 -0.660 -10.106 -6.515 1.00 0.00 H new ATOM 0 HB3 ALA A 569 0.853 -9.171 -6.464 1.00 0.00 H new ATOM 52 N LEU A 570 -1.021 -5.982 -7.838 1.00 0.00 N ATOM 53 CA LEU A 570 -0.826 -4.546 -7.608 1.00 0.00 C ATOM 54 C LEU A 570 -2.113 -3.987 -6.986 1.00 0.00 C ATOM 55 O LEU A 570 -3.201 -4.204 -7.529 1.00 0.00 O ATOM 56 CB LEU A 570 -0.513 -3.815 -8.928 1.00 0.00 C ATOM 57 CG LEU A 570 0.842 -4.169 -9.566 1.00 0.00 C ATOM 58 CD1 LEU A 570 0.968 -3.497 -10.921 1.00 0.00 C ATOM 59 CD2 LEU A 570 2.025 -3.689 -8.730 1.00 0.00 C ATOM 0 H LEU A 570 -1.996 -6.199 -8.046 1.00 0.00 H new ATOM 0 HA LEU A 570 0.020 -4.392 -6.938 1.00 0.00 H new ATOM 0 HB2 LEU A 570 -1.303 -4.038 -9.645 1.00 0.00 H new ATOM 0 HB3 LEU A 570 -0.541 -2.741 -8.746 1.00 0.00 H new ATOM 0 HG LEU A 570 0.866 -5.256 -9.643 1.00 0.00 H new ATOM 0 HD11 LEU A 570 1.930 -3.753 -11.366 1.00 0.00 H new ATOM 0 HD12 LEU A 570 0.164 -3.839 -11.573 1.00 0.00 H new ATOM 0 HD13 LEU A 570 0.901 -2.416 -10.799 1.00 0.00 H new ATOM 0 HD21 LEU A 570 2.956 -3.964 -9.225 1.00 0.00 H new ATOM 0 HD22 LEU A 570 1.978 -2.605 -8.622 1.00 0.00 H new ATOM 0 HD23 LEU A 570 1.987 -4.154 -7.745 1.00 0.00 H new ATOM 71 N LYS A 571 -2.011 -3.287 -5.848 1.00 0.00 N ATOM 72 CA LYS A 571 -3.179 -2.767 -5.114 1.00 0.00 C ATOM 73 C LYS A 571 -3.491 -1.307 -5.485 1.00 0.00 C ATOM 74 O LYS A 571 -2.563 -0.539 -5.759 1.00 0.00 O ATOM 75 CB LYS A 571 -3.030 -2.943 -3.591 1.00 0.00 C ATOM 76 CG LYS A 571 -2.659 -4.381 -3.184 1.00 0.00 C ATOM 77 CD LYS A 571 -3.044 -4.674 -1.726 1.00 0.00 C ATOM 78 CE LYS A 571 -2.558 -6.072 -1.326 1.00 0.00 C ATOM 79 NZ LYS A 571 -3.241 -6.571 -0.104 1.00 0.00 N ATOM 0 H LYS A 571 -1.118 -3.064 -5.408 1.00 0.00 H new ATOM 0 HA LYS A 571 -4.034 -3.368 -5.425 1.00 0.00 H new ATOM 0 HB2 LYS A 571 -2.264 -2.259 -3.225 1.00 0.00 H new ATOM 0 HB3 LYS A 571 -3.965 -2.664 -3.106 1.00 0.00 H new ATOM 0 HG2 LYS A 571 -3.163 -5.088 -3.843 1.00 0.00 H new ATOM 0 HG3 LYS A 571 -1.587 -4.532 -3.315 1.00 0.00 H new ATOM 0 HD2 LYS A 571 -2.604 -3.925 -1.068 1.00 0.00 H new ATOM 0 HD3 LYS A 571 -4.125 -4.608 -1.606 1.00 0.00 H new ATOM 0 HE2 LYS A 571 -2.734 -6.766 -2.148 1.00 0.00 H new ATOM 0 HE3 LYS A 571 -1.482 -6.046 -1.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 571 -2.835 -7.489 0.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 571 -3.110 -5.889 0.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 571 -4.257 -6.685 -0.296 1.00 0.00 H new ATOM 93 N PRO A 572 -4.772 -0.894 -5.474 1.00 0.00 N ATOM 94 CA PRO A 572 -5.159 0.496 -5.673 1.00 0.00 C ATOM 95 C PRO A 572 -4.785 1.356 -4.458 1.00 0.00 C ATOM 96 O PRO A 572 -5.017 0.976 -3.308 1.00 0.00 O ATOM 97 CB PRO A 572 -6.671 0.476 -5.902 1.00 0.00 C ATOM 98 CG PRO A 572 -7.135 -0.766 -5.139 1.00 0.00 C ATOM 99 CD PRO A 572 -5.944 -1.721 -5.233 1.00 0.00 C ATOM 0 HA PRO A 572 -4.637 0.939 -6.521 1.00 0.00 H new ATOM 0 HB2 PRO A 572 -7.146 1.380 -5.522 1.00 0.00 H new ATOM 0 HB3 PRO A 572 -6.915 0.409 -6.962 1.00 0.00 H new ATOM 0 HG2 PRO A 572 -7.378 -0.531 -4.103 1.00 0.00 H new ATOM 0 HG3 PRO A 572 -8.030 -1.198 -5.586 1.00 0.00 H new ATOM 0 HD2 PRO A 572 -5.832 -2.294 -4.313 1.00 0.00 H new ATOM 0 HD3 PRO A 572 -6.085 -2.439 -6.041 1.00 0.00 H new ATOM 107 N CYS A 573 -4.255 2.544 -4.732 1.00 0.00 N ATOM 108 CA CYS A 573 -3.975 3.585 -3.752 1.00 0.00 C ATOM 109 C CYS A 573 -5.246 3.991 -2.970 1.00 0.00 C ATOM 110 O CYS A 573 -6.287 4.273 -3.578 1.00 0.00 O ATOM 111 CB CYS A 573 -3.360 4.736 -4.545 1.00 0.00 C ATOM 112 SG CYS A 573 -3.227 6.340 -3.662 1.00 0.00 S ATOM 0 H CYS A 573 -3.999 2.817 -5.681 1.00 0.00 H new ATOM 0 HA CYS A 573 -3.286 3.245 -2.979 1.00 0.00 H new ATOM 0 HB2 CYS A 573 -2.362 4.437 -4.867 1.00 0.00 H new ATOM 0 HB3 CYS A 573 -3.954 4.888 -5.446 1.00 0.00 H new ATOM 117 N PRO A 574 -5.190 4.053 -1.628 1.00 0.00 N ATOM 118 CA PRO A 574 -6.320 4.400 -0.759 1.00 0.00 C ATOM 119 C PRO A 574 -6.827 5.843 -0.939 1.00 0.00 C ATOM 120 O PRO A 574 -7.895 6.178 -0.418 1.00 0.00 O ATOM 121 CB PRO A 574 -5.813 4.140 0.669 1.00 0.00 C ATOM 122 CG PRO A 574 -4.311 4.316 0.537 1.00 0.00 C ATOM 123 CD PRO A 574 -4.008 3.772 -0.839 1.00 0.00 C ATOM 0 HA PRO A 574 -7.194 3.798 -1.008 1.00 0.00 H new ATOM 0 HB2 PRO A 574 -6.240 4.844 1.383 1.00 0.00 H new ATOM 0 HB3 PRO A 574 -6.073 3.139 1.013 1.00 0.00 H new ATOM 0 HG2 PRO A 574 -4.021 5.363 0.627 1.00 0.00 H new ATOM 0 HG3 PRO A 574 -3.774 3.769 1.312 1.00 0.00 H new ATOM 0 HD2 PRO A 574 -3.127 4.250 -1.266 1.00 0.00 H new ATOM 0 HD3 PRO A 574 -3.804 2.702 -0.803 1.00 0.00 H new ATOM 131 N ARG A 575 -6.096 6.696 -1.676 1.00 0.00 N ATOM 132 CA ARG A 575 -6.457 8.099 -1.948 1.00 0.00 C ATOM 133 C ARG A 575 -7.006 8.333 -3.355 1.00 0.00 C ATOM 134 O ARG A 575 -8.008 9.037 -3.497 1.00 0.00 O ATOM 135 CB ARG A 575 -5.232 8.989 -1.711 1.00 0.00 C ATOM 136 CG ARG A 575 -4.836 9.024 -0.230 1.00 0.00 C ATOM 137 CD ARG A 575 -3.742 10.064 0.022 1.00 0.00 C ATOM 138 NE ARG A 575 -3.462 10.188 1.465 1.00 0.00 N ATOM 139 CZ ARG A 575 -4.031 11.012 2.327 1.00 0.00 C ATOM 140 NH1 ARG A 575 -4.939 11.877 1.972 1.00 0.00 N ATOM 141 NH2 ARG A 575 -3.699 10.980 3.586 1.00 0.00 N ATOM 0 H ARG A 575 -5.215 6.422 -2.111 1.00 0.00 H new ATOM 0 HA ARG A 575 -7.265 8.356 -1.263 1.00 0.00 H new ATOM 0 HB2 ARG A 575 -4.394 8.621 -2.303 1.00 0.00 H new ATOM 0 HB3 ARG A 575 -5.445 10.001 -2.055 1.00 0.00 H new ATOM 0 HG2 ARG A 575 -5.710 9.256 0.378 1.00 0.00 H new ATOM 0 HG3 ARG A 575 -4.485 8.040 0.079 1.00 0.00 H new ATOM 0 HD2 ARG A 575 -2.833 9.778 -0.507 1.00 0.00 H new ATOM 0 HD3 ARG A 575 -4.052 11.030 -0.377 1.00 0.00 H new ATOM 0 HE ARG A 575 -2.746 9.566 1.841 1.00 0.00 H new ATOM 0 HH11 ARG A 575 -5.235 11.935 0.998 1.00 0.00 H new ATOM 0 HH12 ARG A 575 -5.354 12.496 2.669 1.00 0.00 H new ATOM 0 HH21 ARG A 575 -2.996 10.316 3.911 1.00 0.00 H new ATOM 0 HH22 ARG A 575 -4.142 11.619 4.247 1.00 0.00 H new ATOM 155 N CYS A 576 -6.359 7.761 -4.375 1.00 0.00 N ATOM 156 CA CYS A 576 -6.626 8.056 -5.791 1.00 0.00 C ATOM 157 C CYS A 576 -6.807 6.809 -6.690 1.00 0.00 C ATOM 158 O CYS A 576 -7.035 6.933 -7.899 1.00 0.00 O ATOM 159 CB CYS A 576 -5.544 9.028 -6.284 1.00 0.00 C ATOM 160 SG CYS A 576 -4.001 8.152 -6.616 1.00 0.00 S ATOM 0 H CYS A 576 -5.622 7.068 -4.241 1.00 0.00 H new ATOM 0 HA CYS A 576 -7.604 8.531 -5.868 1.00 0.00 H new ATOM 0 HB2 CYS A 576 -5.885 9.530 -7.189 1.00 0.00 H new ATOM 0 HB3 CYS A 576 -5.375 9.802 -5.535 1.00 0.00 H new ATOM 165 N GLN A 577 -6.741 5.609 -6.101 1.00 0.00 N ATOM 166 CA GLN A 577 -6.981 4.303 -6.739 1.00 0.00 C ATOM 167 C GLN A 577 -6.013 3.938 -7.889 1.00 0.00 C ATOM 168 O GLN A 577 -6.235 2.946 -8.587 1.00 0.00 O ATOM 169 CB GLN A 577 -8.472 4.138 -7.112 1.00 0.00 C ATOM 170 CG GLN A 577 -9.472 4.327 -5.953 1.00 0.00 C ATOM 171 CD GLN A 577 -9.591 3.104 -5.043 1.00 0.00 C ATOM 172 OE1 GLN A 577 -10.447 2.247 -5.223 1.00 0.00 O ATOM 173 NE2 GLN A 577 -8.758 2.957 -4.036 1.00 0.00 N ATOM 0 H GLN A 577 -6.506 5.515 -5.113 1.00 0.00 H new ATOM 0 HA GLN A 577 -6.740 3.557 -5.982 1.00 0.00 H new ATOM 0 HB2 GLN A 577 -8.713 4.854 -7.897 1.00 0.00 H new ATOM 0 HB3 GLN A 577 -8.615 3.143 -7.533 1.00 0.00 H new ATOM 0 HG2 GLN A 577 -9.165 5.186 -5.356 1.00 0.00 H new ATOM 0 HG3 GLN A 577 -10.454 4.560 -6.365 1.00 0.00 H new ATOM 0 HE21 GLN A 577 -8.036 3.657 -3.865 1.00 0.00 H new ATOM 0 HE22 GLN A 577 -8.834 2.143 -3.426 1.00 0.00 H new ATOM 182 N SER A 578 -4.911 4.678 -8.065 1.00 0.00 N ATOM 183 CA SER A 578 -3.813 4.314 -8.971 1.00 0.00 C ATOM 184 C SER A 578 -3.185 2.966 -8.565 1.00 0.00 C ATOM 185 O SER A 578 -3.071 2.710 -7.362 1.00 0.00 O ATOM 186 CB SER A 578 -2.745 5.410 -8.913 1.00 0.00 C ATOM 187 OG SER A 578 -1.839 5.301 -9.990 1.00 0.00 O ATOM 0 H SER A 578 -4.754 5.559 -7.575 1.00 0.00 H new ATOM 0 HA SER A 578 -4.207 4.216 -9.983 1.00 0.00 H new ATOM 0 HB2 SER A 578 -3.224 6.389 -8.936 1.00 0.00 H new ATOM 0 HB3 SER A 578 -2.202 5.342 -7.970 1.00 0.00 H new ATOM 0 HG SER A 578 -1.170 6.014 -9.928 1.00 0.00 H new ATOM 193 N PRO A 579 -2.761 2.095 -9.504 1.00 0.00 N ATOM 194 CA PRO A 579 -2.034 0.865 -9.185 1.00 0.00 C ATOM 195 C PRO A 579 -0.664 1.204 -8.582 1.00 0.00 C ATOM 196 O PRO A 579 0.282 1.586 -9.275 1.00 0.00 O ATOM 197 CB PRO A 579 -1.917 0.090 -10.503 1.00 0.00 C ATOM 198 CG PRO A 579 -1.952 1.201 -11.551 1.00 0.00 C ATOM 199 CD PRO A 579 -2.900 2.234 -10.945 1.00 0.00 C ATOM 0 HA PRO A 579 -2.549 0.259 -8.439 1.00 0.00 H new ATOM 0 HB2 PRO A 579 -0.993 -0.485 -10.554 1.00 0.00 H new ATOM 0 HB3 PRO A 579 -2.738 -0.615 -10.633 1.00 0.00 H new ATOM 0 HG2 PRO A 579 -0.961 1.620 -11.725 1.00 0.00 H new ATOM 0 HG3 PRO A 579 -2.317 0.836 -12.511 1.00 0.00 H new ATOM 0 HD2 PRO A 579 -2.640 3.242 -11.268 1.00 0.00 H new ATOM 0 HD3 PRO A 579 -3.928 2.054 -11.259 1.00 0.00 H new ATOM 207 N ALA A 580 -0.568 1.078 -7.264 1.00 0.00 N ATOM 208 CA ALA A 580 0.627 1.381 -6.492 1.00 0.00 C ATOM 209 C ALA A 580 1.709 0.302 -6.678 1.00 0.00 C ATOM 210 O ALA A 580 1.394 -0.881 -6.832 1.00 0.00 O ATOM 211 CB ALA A 580 0.203 1.529 -5.030 1.00 0.00 C ATOM 0 H ALA A 580 -1.344 0.752 -6.687 1.00 0.00 H new ATOM 0 HA ALA A 580 1.079 2.310 -6.840 1.00 0.00 H new ATOM 0 HB1 ALA A 580 1.076 1.757 -4.419 1.00 0.00 H new ATOM 0 HB2 ALA A 580 -0.523 2.337 -4.942 1.00 0.00 H new ATOM 0 HB3 ALA A 580 -0.247 0.598 -4.686 1.00 0.00 H new ATOM 217 N LYS A 581 2.987 0.699 -6.607 1.00 0.00 N ATOM 218 CA LYS A 581 4.143 -0.208 -6.575 1.00 0.00 C ATOM 219 C LYS A 581 4.044 -1.080 -5.326 1.00 0.00 C ATOM 220 O LYS A 581 4.231 -0.602 -4.205 1.00 0.00 O ATOM 221 CB LYS A 581 5.452 0.601 -6.610 1.00 0.00 C ATOM 222 CG LYS A 581 6.671 -0.308 -6.851 1.00 0.00 C ATOM 223 CD LYS A 581 8.001 0.462 -6.880 1.00 0.00 C ATOM 224 CE LYS A 581 8.096 1.416 -8.080 1.00 0.00 C ATOM 225 NZ LYS A 581 9.421 2.089 -8.142 1.00 0.00 N ATOM 0 H LYS A 581 3.252 1.683 -6.569 1.00 0.00 H new ATOM 0 HA LYS A 581 4.144 -0.856 -7.452 1.00 0.00 H new ATOM 0 HB2 LYS A 581 5.396 1.352 -7.398 1.00 0.00 H new ATOM 0 HB3 LYS A 581 5.576 1.135 -5.668 1.00 0.00 H new ATOM 0 HG2 LYS A 581 6.713 -1.065 -6.067 1.00 0.00 H new ATOM 0 HG3 LYS A 581 6.542 -0.835 -7.796 1.00 0.00 H new ATOM 0 HD2 LYS A 581 8.109 1.031 -5.957 1.00 0.00 H new ATOM 0 HD3 LYS A 581 8.828 -0.247 -6.916 1.00 0.00 H new ATOM 0 HE2 LYS A 581 7.927 0.860 -9.002 1.00 0.00 H new ATOM 0 HE3 LYS A 581 7.309 2.167 -8.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 581 9.449 2.725 -8.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 581 9.572 2.640 -7.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 581 10.170 1.373 -8.232 1.00 0.00 H new ATOM 239 N TYR A 582 3.692 -2.346 -5.528 1.00 0.00 N ATOM 240 CA TYR A 582 3.382 -3.284 -4.457 1.00 0.00 C ATOM 241 C TYR A 582 4.661 -3.926 -3.905 1.00 0.00 C ATOM 242 O TYR A 582 5.515 -4.385 -4.669 1.00 0.00 O ATOM 243 CB TYR A 582 2.394 -4.327 -4.994 1.00 0.00 C ATOM 244 CG TYR A 582 1.861 -5.329 -3.998 1.00 0.00 C ATOM 245 CD1 TYR A 582 1.539 -4.944 -2.685 1.00 0.00 C ATOM 246 CD2 TYR A 582 1.659 -6.656 -4.416 1.00 0.00 C ATOM 247 CE1 TYR A 582 1.055 -5.899 -1.775 1.00 0.00 C ATOM 248 CE2 TYR A 582 1.160 -7.612 -3.509 1.00 0.00 C ATOM 249 CZ TYR A 582 0.849 -7.232 -2.185 1.00 0.00 C ATOM 250 OH TYR A 582 0.340 -8.131 -1.300 1.00 0.00 O ATOM 0 H TYR A 582 3.613 -2.755 -6.459 1.00 0.00 H new ATOM 0 HA TYR A 582 2.918 -2.760 -3.621 1.00 0.00 H new ATOM 0 HB2 TYR A 582 1.547 -3.800 -5.433 1.00 0.00 H new ATOM 0 HB3 TYR A 582 2.882 -4.875 -5.801 1.00 0.00 H new ATOM 0 HD1 TYR A 582 1.663 -3.917 -2.376 1.00 0.00 H new ATOM 0 HD2 TYR A 582 1.886 -6.943 -5.432 1.00 0.00 H new ATOM 0 HE1 TYR A 582 0.840 -5.610 -0.757 1.00 0.00 H new ATOM 0 HE2 TYR A 582 1.016 -8.634 -3.826 1.00 0.00 H new ATOM 0 HH TYR A 582 0.256 -9.006 -1.734 1.00 0.00 H new ATOM 260 N GLN A 583 4.794 -3.960 -2.577 1.00 0.00 N ATOM 261 CA GLN A 583 5.972 -4.460 -1.865 1.00 0.00 C ATOM 262 C GLN A 583 5.553 -5.554 -0.855 1.00 0.00 C ATOM 263 O GLN A 583 5.579 -5.318 0.357 1.00 0.00 O ATOM 264 CB GLN A 583 6.724 -3.281 -1.208 1.00 0.00 C ATOM 265 CG GLN A 583 6.843 -1.999 -2.069 1.00 0.00 C ATOM 266 CD GLN A 583 7.826 -0.967 -1.516 1.00 0.00 C ATOM 267 OE1 GLN A 583 8.466 -1.127 -0.486 1.00 0.00 O ATOM 268 NE2 GLN A 583 7.984 0.150 -2.191 1.00 0.00 N ATOM 0 H GLN A 583 4.062 -3.630 -1.948 1.00 0.00 H new ATOM 0 HA GLN A 583 6.666 -4.928 -2.563 1.00 0.00 H new ATOM 0 HB2 GLN A 583 6.219 -3.026 -0.276 1.00 0.00 H new ATOM 0 HB3 GLN A 583 7.728 -3.615 -0.945 1.00 0.00 H new ATOM 0 HG2 GLN A 583 7.153 -2.278 -3.076 1.00 0.00 H new ATOM 0 HG3 GLN A 583 5.859 -1.539 -2.155 1.00 0.00 H new ATOM 0 HE21 GLN A 583 7.460 0.304 -3.053 1.00 0.00 H new ATOM 0 HE22 GLN A 583 8.631 0.863 -1.853 1.00 0.00 H new ATOM 277 N PRO A 584 5.121 -6.747 -1.314 1.00 0.00 N ATOM 278 CA PRO A 584 4.576 -7.806 -0.450 1.00 0.00 C ATOM 279 C PRO A 584 5.581 -8.346 0.583 1.00 0.00 C ATOM 280 O PRO A 584 5.184 -8.791 1.661 1.00 0.00 O ATOM 281 CB PRO A 584 4.119 -8.915 -1.407 1.00 0.00 C ATOM 282 CG PRO A 584 4.950 -8.687 -2.669 1.00 0.00 C ATOM 283 CD PRO A 584 5.106 -7.174 -2.705 1.00 0.00 C ATOM 0 HA PRO A 584 3.762 -7.409 0.156 1.00 0.00 H new ATOM 0 HB2 PRO A 584 4.298 -9.904 -0.985 1.00 0.00 H new ATOM 0 HB3 PRO A 584 3.051 -8.846 -1.615 1.00 0.00 H new ATOM 0 HG2 PRO A 584 5.915 -9.191 -2.614 1.00 0.00 H new ATOM 0 HG3 PRO A 584 4.444 -9.062 -3.559 1.00 0.00 H new ATOM 0 HD2 PRO A 584 6.027 -6.887 -3.213 1.00 0.00 H new ATOM 0 HD3 PRO A 584 4.284 -6.708 -3.249 1.00 0.00 H new ATOM 291 N HIS A 585 6.881 -8.253 0.293 1.00 0.00 N ATOM 292 CA HIS A 585 7.991 -8.594 1.195 1.00 0.00 C ATOM 293 C HIS A 585 8.176 -7.603 2.359 1.00 0.00 C ATOM 294 O HIS A 585 8.770 -7.960 3.379 1.00 0.00 O ATOM 295 CB HIS A 585 9.278 -8.712 0.360 1.00 0.00 C ATOM 296 CG HIS A 585 9.715 -7.447 -0.349 1.00 0.00 C ATOM 297 ND1 HIS A 585 8.891 -6.583 -1.084 1.00 0.00 N ATOM 298 CD2 HIS A 585 11.003 -7.005 -0.444 1.00 0.00 C ATOM 299 CE1 HIS A 585 9.705 -5.646 -1.602 1.00 0.00 C ATOM 300 NE2 HIS A 585 10.977 -5.874 -1.233 1.00 0.00 N ATOM 0 H HIS A 585 7.206 -7.924 -0.616 1.00 0.00 H new ATOM 0 HA HIS A 585 7.751 -9.545 1.671 1.00 0.00 H new ATOM 0 HB2 HIS A 585 10.086 -9.038 1.015 1.00 0.00 H new ATOM 0 HB3 HIS A 585 9.136 -9.495 -0.385 1.00 0.00 H new ATOM 0 HD2 HIS A 585 11.874 -7.454 0.011 1.00 0.00 H new ATOM 0 HE1 HIS A 585 9.382 -4.826 -2.226 1.00 0.00 H new ATOM 0 HE2 HIS A 585 11.785 -5.308 -1.492 1.00 0.00 H new ATOM 308 N LYS A 586 7.643 -6.379 2.228 1.00 0.00 N ATOM 309 CA LYS A 586 7.654 -5.308 3.247 1.00 0.00 C ATOM 310 C LYS A 586 6.253 -4.938 3.766 1.00 0.00 C ATOM 311 O LYS A 586 6.137 -4.160 4.713 1.00 0.00 O ATOM 312 CB LYS A 586 8.367 -4.073 2.665 1.00 0.00 C ATOM 313 CG LYS A 586 9.853 -4.344 2.379 1.00 0.00 C ATOM 314 CD LYS A 586 10.551 -3.092 1.838 1.00 0.00 C ATOM 315 CE LYS A 586 12.037 -3.384 1.600 1.00 0.00 C ATOM 316 NZ LYS A 586 12.753 -2.192 1.072 1.00 0.00 N ATOM 0 H LYS A 586 7.170 -6.091 1.371 1.00 0.00 H new ATOM 0 HA LYS A 586 8.195 -5.686 4.115 1.00 0.00 H new ATOM 0 HB2 LYS A 586 7.871 -3.769 1.743 1.00 0.00 H new ATOM 0 HB3 LYS A 586 8.279 -3.241 3.364 1.00 0.00 H new ATOM 0 HG2 LYS A 586 10.348 -4.673 3.293 1.00 0.00 H new ATOM 0 HG3 LYS A 586 9.945 -5.155 1.657 1.00 0.00 H new ATOM 0 HD2 LYS A 586 10.080 -2.776 0.907 1.00 0.00 H new ATOM 0 HD3 LYS A 586 10.442 -2.270 2.545 1.00 0.00 H new ATOM 0 HE2 LYS A 586 12.500 -3.702 2.534 1.00 0.00 H new ATOM 0 HE3 LYS A 586 12.138 -4.210 0.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 586 13.755 -2.427 0.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 586 12.327 -1.903 0.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 586 12.678 -1.411 1.755 1.00 0.00 H new ATOM 330 N LYS A 587 5.194 -5.482 3.150 1.00 0.00 N ATOM 331 CA LYS A 587 3.778 -5.102 3.333 1.00 0.00 C ATOM 332 C LYS A 587 3.543 -3.590 3.167 1.00 0.00 C ATOM 333 O LYS A 587 2.828 -2.953 3.944 1.00 0.00 O ATOM 334 CB LYS A 587 3.205 -5.724 4.621 1.00 0.00 C ATOM 335 CG LYS A 587 2.934 -7.220 4.407 1.00 0.00 C ATOM 336 CD LYS A 587 2.369 -7.874 5.672 1.00 0.00 C ATOM 337 CE LYS A 587 1.738 -9.243 5.376 1.00 0.00 C ATOM 338 NZ LYS A 587 2.741 -10.245 4.920 1.00 0.00 N ATOM 0 H LYS A 587 5.303 -6.239 2.475 1.00 0.00 H new ATOM 0 HA LYS A 587 3.194 -5.534 2.520 1.00 0.00 H new ATOM 0 HB2 LYS A 587 3.907 -5.587 5.444 1.00 0.00 H new ATOM 0 HB3 LYS A 587 2.282 -5.215 4.901 1.00 0.00 H new ATOM 0 HG2 LYS A 587 2.231 -7.350 3.584 1.00 0.00 H new ATOM 0 HG3 LYS A 587 3.858 -7.721 4.119 1.00 0.00 H new ATOM 0 HD2 LYS A 587 3.166 -7.993 6.406 1.00 0.00 H new ATOM 0 HD3 LYS A 587 1.621 -7.218 6.117 1.00 0.00 H new ATOM 0 HE2 LYS A 587 1.242 -9.613 6.273 1.00 0.00 H new ATOM 0 HE3 LYS A 587 0.970 -9.128 4.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 587 2.266 -11.151 4.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 587 3.198 -9.907 4.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 587 3.461 -10.377 5.659 1.00 0.00 H new ATOM 352 N ARG A 588 4.144 -3.030 2.113 1.00 0.00 N ATOM 353 CA ARG A 588 4.121 -1.599 1.759 1.00 0.00 C ATOM 354 C ARG A 588 3.570 -1.400 0.345 1.00 0.00 C ATOM 355 O ARG A 588 3.722 -2.271 -0.511 1.00 0.00 O ATOM 356 CB ARG A 588 5.545 -1.039 1.937 1.00 0.00 C ATOM 357 CG ARG A 588 5.633 0.490 1.960 1.00 0.00 C ATOM 358 CD ARG A 588 7.085 0.931 2.173 1.00 0.00 C ATOM 359 NE ARG A 588 7.174 2.381 2.404 1.00 0.00 N ATOM 360 CZ ARG A 588 8.274 3.091 2.550 1.00 0.00 C ATOM 361 NH1 ARG A 588 9.462 2.581 2.374 1.00 0.00 N ATOM 362 NH2 ARG A 588 8.201 4.343 2.886 1.00 0.00 N ATOM 0 H ARG A 588 4.686 -3.584 1.450 1.00 0.00 H new ATOM 0 HA ARG A 588 3.450 -1.047 2.417 1.00 0.00 H new ATOM 0 HB2 ARG A 588 5.960 -1.427 2.867 1.00 0.00 H new ATOM 0 HB3 ARG A 588 6.172 -1.413 1.128 1.00 0.00 H new ATOM 0 HG2 ARG A 588 5.255 0.898 1.023 1.00 0.00 H new ATOM 0 HG3 ARG A 588 5.004 0.886 2.757 1.00 0.00 H new ATOM 0 HD2 ARG A 588 7.508 0.398 3.025 1.00 0.00 H new ATOM 0 HD3 ARG A 588 7.681 0.662 1.301 1.00 0.00 H new ATOM 0 HE ARG A 588 6.292 2.890 2.457 1.00 0.00 H new ATOM 0 HH11 ARG A 588 9.562 1.600 2.114 1.00 0.00 H new ATOM 0 HH12 ARG A 588 10.290 3.163 2.496 1.00 0.00 H new ATOM 0 HH21 ARG A 588 7.291 4.778 3.037 1.00 0.00 H new ATOM 0 HH22 ARG A 588 9.054 4.891 2.999 1.00 0.00 H new ATOM 376 N GLY A 589 2.936 -0.261 0.093 1.00 0.00 N ATOM 377 CA GLY A 589 2.466 0.136 -1.234 1.00 0.00 C ATOM 378 C GLY A 589 2.715 1.626 -1.479 1.00 0.00 C ATOM 379 O GLY A 589 2.370 2.451 -0.628 1.00 0.00 O ATOM 0 H GLY A 589 2.729 0.427 0.817 1.00 0.00 H new ATOM 0 HA2 GLY A 589 2.977 -0.452 -1.996 1.00 0.00 H new ATOM 0 HA3 GLY A 589 1.401 -0.079 -1.326 1.00 0.00 H new ATOM 383 N LEU A 590 3.334 1.963 -2.619 1.00 0.00 N ATOM 384 CA LEU A 590 3.658 3.344 -3.009 1.00 0.00 C ATOM 385 C LEU A 590 2.928 3.771 -4.285 1.00 0.00 C ATOM 386 O LEU A 590 3.105 3.152 -5.335 1.00 0.00 O ATOM 387 CB LEU A 590 5.177 3.532 -3.181 1.00 0.00 C ATOM 388 CG LEU A 590 6.014 3.383 -1.900 1.00 0.00 C ATOM 389 CD1 LEU A 590 7.466 3.768 -2.185 1.00 0.00 C ATOM 390 CD2 LEU A 590 5.482 4.266 -0.775 1.00 0.00 C ATOM 0 H LEU A 590 3.629 1.272 -3.309 1.00 0.00 H new ATOM 0 HA LEU A 590 3.313 3.985 -2.198 1.00 0.00 H new ATOM 0 HB2 LEU A 590 5.534 2.808 -3.913 1.00 0.00 H new ATOM 0 HB3 LEU A 590 5.357 4.523 -3.598 1.00 0.00 H new ATOM 0 HG LEU A 590 5.950 2.342 -1.583 1.00 0.00 H new ATOM 0 HD11 LEU A 590 8.056 3.661 -1.275 1.00 0.00 H new ATOM 0 HD12 LEU A 590 7.870 3.115 -2.958 1.00 0.00 H new ATOM 0 HD13 LEU A 590 7.508 4.803 -2.525 1.00 0.00 H new ATOM 0 HD21 LEU A 590 6.099 4.134 0.114 1.00 0.00 H new ATOM 0 HD22 LEU A 590 5.513 5.310 -1.086 1.00 0.00 H new ATOM 0 HD23 LEU A 590 4.453 3.986 -0.548 1.00 0.00 H new ATOM 402 N CYS A 591 2.133 4.837 -4.207 1.00 0.00 N ATOM 403 CA CYS A 591 1.306 5.320 -5.313 1.00 0.00 C ATOM 404 C CYS A 591 2.123 5.658 -6.583 1.00 0.00 C ATOM 405 O CYS A 591 3.242 6.182 -6.508 1.00 0.00 O ATOM 406 CB CYS A 591 0.528 6.534 -4.813 1.00 0.00 C ATOM 407 SG CYS A 591 -0.687 7.004 -6.059 1.00 0.00 S ATOM 0 H CYS A 591 2.044 5.399 -3.360 1.00 0.00 H new ATOM 0 HA CYS A 591 0.627 4.524 -5.619 1.00 0.00 H new ATOM 0 HB2 CYS A 591 0.031 6.301 -3.871 1.00 0.00 H new ATOM 0 HB3 CYS A 591 1.208 7.363 -4.618 1.00 0.00 H new ATOM 412 N SER A 592 1.539 5.378 -7.753 1.00 0.00 N ATOM 413 CA SER A 592 2.125 5.669 -9.070 1.00 0.00 C ATOM 414 C SER A 592 1.730 7.052 -9.623 1.00 0.00 C ATOM 415 O SER A 592 2.321 7.510 -10.607 1.00 0.00 O ATOM 416 CB SER A 592 1.760 4.545 -10.050 1.00 0.00 C ATOM 417 OG SER A 592 2.583 4.575 -11.208 1.00 0.00 O ATOM 0 H SER A 592 0.624 4.932 -7.814 1.00 0.00 H new ATOM 0 HA SER A 592 3.207 5.708 -8.947 1.00 0.00 H new ATOM 0 HB2 SER A 592 1.864 3.580 -9.554 1.00 0.00 H new ATOM 0 HB3 SER A 592 0.715 4.642 -10.343 1.00 0.00 H new ATOM 0 HG SER A 592 2.794 5.505 -11.435 1.00 0.00 H new ATOM 423 N ARG A 593 0.764 7.750 -9.005 1.00 0.00 N ATOM 424 CA ARG A 593 0.348 9.110 -9.378 1.00 0.00 C ATOM 425 C ARG A 593 1.260 10.145 -8.713 1.00 0.00 C ATOM 426 O ARG A 593 1.304 10.249 -7.487 1.00 0.00 O ATOM 427 CB ARG A 593 -1.146 9.270 -9.039 1.00 0.00 C ATOM 428 CG ARG A 593 -1.662 10.697 -9.258 1.00 0.00 C ATOM 429 CD ARG A 593 -3.195 10.776 -9.225 1.00 0.00 C ATOM 430 NE ARG A 593 -3.817 10.178 -10.428 1.00 0.00 N ATOM 431 CZ ARG A 593 -4.683 9.178 -10.489 1.00 0.00 C ATOM 432 NH1 ARG A 593 -5.029 8.471 -9.455 1.00 0.00 N ATOM 433 NH2 ARG A 593 -5.237 8.865 -11.625 1.00 0.00 N ATOM 0 H ARG A 593 0.239 7.376 -8.215 1.00 0.00 H new ATOM 0 HA ARG A 593 0.456 9.281 -10.449 1.00 0.00 H new ATOM 0 HB2 ARG A 593 -1.727 8.582 -9.652 1.00 0.00 H new ATOM 0 HB3 ARG A 593 -1.309 8.986 -7.999 1.00 0.00 H new ATOM 0 HG2 ARG A 593 -1.250 11.351 -8.489 1.00 0.00 H new ATOM 0 HG3 ARG A 593 -1.302 11.067 -10.218 1.00 0.00 H new ATOM 0 HD2 ARG A 593 -3.563 10.264 -8.336 1.00 0.00 H new ATOM 0 HD3 ARG A 593 -3.501 11.819 -9.142 1.00 0.00 H new ATOM 0 HE ARG A 593 -3.544 10.587 -11.322 1.00 0.00 H new ATOM 0 HH11 ARG A 593 -4.628 8.676 -8.540 1.00 0.00 H new ATOM 0 HH12 ARG A 593 -5.701 7.711 -9.559 1.00 0.00 H new ATOM 0 HH21 ARG A 593 -5.004 9.390 -12.468 1.00 0.00 H new ATOM 0 HH22 ARG A 593 -5.904 8.095 -11.672 1.00 0.00 H new ATOM 447 N LEU A 594 1.969 10.941 -9.517 1.00 0.00 N ATOM 448 CA LEU A 594 3.011 11.869 -9.039 1.00 0.00 C ATOM 449 C LEU A 594 2.459 13.056 -8.223 1.00 0.00 C ATOM 450 O LEU A 594 3.159 13.586 -7.358 1.00 0.00 O ATOM 451 CB LEU A 594 3.844 12.367 -10.238 1.00 0.00 C ATOM 452 CG LEU A 594 4.577 11.270 -11.039 1.00 0.00 C ATOM 453 CD1 LEU A 594 5.358 11.911 -12.187 1.00 0.00 C ATOM 454 CD2 LEU A 594 5.561 10.467 -10.184 1.00 0.00 C ATOM 0 H LEU A 594 1.839 10.964 -10.528 1.00 0.00 H new ATOM 0 HA LEU A 594 3.643 11.310 -8.349 1.00 0.00 H new ATOM 0 HB2 LEU A 594 3.185 12.908 -10.916 1.00 0.00 H new ATOM 0 HB3 LEU A 594 4.582 13.081 -9.874 1.00 0.00 H new ATOM 0 HG LEU A 594 3.812 10.587 -11.408 1.00 0.00 H new ATOM 0 HD11 LEU A 594 5.875 11.136 -12.752 1.00 0.00 H new ATOM 0 HD12 LEU A 594 4.669 12.441 -12.845 1.00 0.00 H new ATOM 0 HD13 LEU A 594 6.087 12.614 -11.783 1.00 0.00 H new ATOM 0 HD21 LEU A 594 6.046 9.711 -10.801 1.00 0.00 H new ATOM 0 HD22 LEU A 594 6.315 11.137 -9.771 1.00 0.00 H new ATOM 0 HD23 LEU A 594 5.023 9.981 -9.370 1.00 0.00 H new ATOM 466 N ALA A 595 1.199 13.441 -8.451 1.00 0.00 N ATOM 467 CA ALA A 595 0.487 14.457 -7.663 1.00 0.00 C ATOM 468 C ALA A 595 0.000 13.949 -6.282 1.00 0.00 C ATOM 469 O ALA A 595 -0.422 14.750 -5.443 1.00 0.00 O ATOM 470 CB ALA A 595 -0.677 14.978 -8.517 1.00 0.00 C ATOM 0 H ALA A 595 0.633 13.048 -9.203 1.00 0.00 H new ATOM 0 HA ALA A 595 1.183 15.261 -7.424 1.00 0.00 H new ATOM 0 HB1 ALA A 595 -1.227 15.736 -7.959 1.00 0.00 H new ATOM 0 HB2 ALA A 595 -0.287 15.416 -9.436 1.00 0.00 H new ATOM 0 HB3 ALA A 595 -1.345 14.153 -8.764 1.00 0.00 H new ATOM 476 N CYS A 596 0.053 12.631 -6.054 1.00 0.00 N ATOM 477 CA CYS A 596 -0.432 11.926 -4.866 1.00 0.00 C ATOM 478 C CYS A 596 0.743 11.401 -4.015 1.00 0.00 C ATOM 479 O CYS A 596 0.974 11.890 -2.904 1.00 0.00 O ATOM 480 CB CYS A 596 -1.364 10.835 -5.398 1.00 0.00 C ATOM 481 SG CYS A 596 -1.988 9.685 -4.119 1.00 0.00 S ATOM 0 H CYS A 596 0.461 11.992 -6.736 1.00 0.00 H new ATOM 0 HA CYS A 596 -0.979 12.572 -4.179 1.00 0.00 H new ATOM 0 HB2 CYS A 596 -2.214 11.308 -5.890 1.00 0.00 H new ATOM 0 HB3 CYS A 596 -0.835 10.261 -6.159 1.00 0.00 H new ATOM 486 N GLY A 597 1.529 10.472 -4.572 1.00 0.00 N ATOM 487 CA GLY A 597 2.789 9.973 -3.996 1.00 0.00 C ATOM 488 C GLY A 597 2.654 9.452 -2.556 1.00 0.00 C ATOM 489 O GLY A 597 3.401 9.874 -1.670 1.00 0.00 O ATOM 0 H GLY A 597 1.301 10.032 -5.463 1.00 0.00 H new ATOM 0 HA2 GLY A 597 3.173 9.172 -4.627 1.00 0.00 H new ATOM 0 HA3 GLY A 597 3.528 10.774 -4.014 1.00 0.00 H new ATOM 493 N PHE A 598 1.672 8.580 -2.311 1.00 0.00 N ATOM 494 CA PHE A 598 1.246 8.139 -0.983 1.00 0.00 C ATOM 495 C PHE A 598 1.896 6.812 -0.576 1.00 0.00 C ATOM 496 O PHE A 598 2.293 6.017 -1.428 1.00 0.00 O ATOM 497 CB PHE A 598 -0.291 8.084 -0.924 1.00 0.00 C ATOM 498 CG PHE A 598 -0.846 7.875 0.477 1.00 0.00 C ATOM 499 CD1 PHE A 598 -0.538 8.780 1.515 1.00 0.00 C ATOM 500 CD2 PHE A 598 -1.663 6.765 0.752 1.00 0.00 C ATOM 501 CE1 PHE A 598 -1.061 8.587 2.810 1.00 0.00 C ATOM 502 CE2 PHE A 598 -2.193 6.584 2.043 1.00 0.00 C ATOM 503 CZ PHE A 598 -1.914 7.498 3.063 1.00 0.00 C ATOM 0 H PHE A 598 1.133 8.147 -3.061 1.00 0.00 H new ATOM 0 HA PHE A 598 1.590 8.868 -0.249 1.00 0.00 H new ATOM 0 HB2 PHE A 598 -0.694 9.012 -1.329 1.00 0.00 H new ATOM 0 HB3 PHE A 598 -0.641 7.277 -1.567 1.00 0.00 H new ATOM 0 HD1 PHE A 598 0.103 9.626 1.316 1.00 0.00 H new ATOM 0 HD2 PHE A 598 -1.884 6.051 -0.027 1.00 0.00 H new ATOM 0 HE1 PHE A 598 -0.807 9.273 3.605 1.00 0.00 H new ATOM 0 HE2 PHE A 598 -2.822 5.730 2.248 1.00 0.00 H new ATOM 0 HZ PHE A 598 -2.352 7.368 4.042 1.00 0.00 H new ATOM 513 N ASP A 599 1.996 6.584 0.734 1.00 0.00 N ATOM 514 CA ASP A 599 2.704 5.465 1.356 1.00 0.00 C ATOM 515 C ASP A 599 1.790 4.764 2.370 1.00 0.00 C ATOM 516 O ASP A 599 1.511 5.307 3.444 1.00 0.00 O ATOM 517 CB ASP A 599 3.983 6.021 1.998 1.00 0.00 C ATOM 518 CG ASP A 599 4.840 4.967 2.708 1.00 0.00 C ATOM 519 OD1 ASP A 599 4.717 3.757 2.421 1.00 0.00 O ATOM 520 OD2 ASP A 599 5.713 5.360 3.515 1.00 0.00 O ATOM 0 H ASP A 599 1.566 7.203 1.422 1.00 0.00 H new ATOM 0 HA ASP A 599 2.981 4.710 0.620 1.00 0.00 H new ATOM 0 HB2 ASP A 599 4.584 6.502 1.226 1.00 0.00 H new ATOM 0 HB3 ASP A 599 3.709 6.794 2.716 1.00 0.00 H new ATOM 525 N PHE A 600 1.295 3.575 2.012 1.00 0.00 N ATOM 526 CA PHE A 600 0.238 2.882 2.751 1.00 0.00 C ATOM 527 C PHE A 600 0.547 1.426 3.126 1.00 0.00 C ATOM 528 O PHE A 600 1.348 0.735 2.489 1.00 0.00 O ATOM 529 CB PHE A 600 -1.082 3.004 1.981 1.00 0.00 C ATOM 530 CG PHE A 600 -1.140 2.307 0.637 1.00 0.00 C ATOM 531 CD1 PHE A 600 -0.757 2.989 -0.534 1.00 0.00 C ATOM 532 CD2 PHE A 600 -1.651 0.999 0.548 1.00 0.00 C ATOM 533 CE1 PHE A 600 -0.899 2.367 -1.786 1.00 0.00 C ATOM 534 CE2 PHE A 600 -1.794 0.377 -0.704 1.00 0.00 C ATOM 535 CZ PHE A 600 -1.427 1.065 -1.873 1.00 0.00 C ATOM 0 H PHE A 600 1.621 3.062 1.193 1.00 0.00 H new ATOM 0 HA PHE A 600 0.159 3.383 3.716 1.00 0.00 H new ATOM 0 HB2 PHE A 600 -1.882 2.608 2.607 1.00 0.00 H new ATOM 0 HB3 PHE A 600 -1.292 4.062 1.827 1.00 0.00 H new ATOM 0 HD1 PHE A 600 -0.355 3.989 -0.470 1.00 0.00 H new ATOM 0 HD2 PHE A 600 -1.935 0.471 1.446 1.00 0.00 H new ATOM 0 HE1 PHE A 600 -0.602 2.889 -2.684 1.00 0.00 H new ATOM 0 HE2 PHE A 600 -2.185 -0.628 -0.768 1.00 0.00 H new ATOM 0 HZ PHE A 600 -1.550 0.595 -2.838 1.00 0.00 H new ATOM 545 N CYS A 601 -0.142 0.974 4.176 1.00 0.00 N ATOM 546 CA CYS A 601 -0.204 -0.407 4.630 1.00 0.00 C ATOM 547 C CYS A 601 -1.123 -1.231 3.715 1.00 0.00 C ATOM 548 O CYS A 601 -2.300 -0.908 3.525 1.00 0.00 O ATOM 549 CB CYS A 601 -0.711 -0.377 6.072 1.00 0.00 C ATOM 550 SG CYS A 601 -1.028 -2.068 6.692 1.00 0.00 S ATOM 0 H CYS A 601 -0.699 1.598 4.759 1.00 0.00 H new ATOM 0 HA CYS A 601 0.775 -0.884 4.591 1.00 0.00 H new ATOM 0 HB2 CYS A 601 0.023 0.116 6.709 1.00 0.00 H new ATOM 0 HB3 CYS A 601 -1.627 0.212 6.127 1.00 0.00 H new ATOM 555 N VAL A 602 -0.592 -2.320 3.161 1.00 0.00 N ATOM 556 CA VAL A 602 -1.311 -3.178 2.200 1.00 0.00 C ATOM 557 C VAL A 602 -2.309 -4.140 2.859 1.00 0.00 C ATOM 558 O VAL A 602 -3.021 -4.847 2.143 1.00 0.00 O ATOM 559 CB VAL A 602 -0.338 -3.929 1.273 1.00 0.00 C ATOM 560 CG1 VAL A 602 0.558 -2.944 0.515 1.00 0.00 C ATOM 561 CG2 VAL A 602 0.514 -4.951 2.033 1.00 0.00 C ATOM 0 H VAL A 602 0.355 -2.640 3.363 1.00 0.00 H new ATOM 0 HA VAL A 602 -1.908 -2.499 1.591 1.00 0.00 H new ATOM 0 HB VAL A 602 -0.944 -4.481 0.555 1.00 0.00 H new ATOM 0 HG11 VAL A 602 1.238 -3.496 -0.134 1.00 0.00 H new ATOM 0 HG12 VAL A 602 -0.061 -2.280 -0.088 1.00 0.00 H new ATOM 0 HG13 VAL A 602 1.135 -2.355 1.228 1.00 0.00 H new ATOM 0 HG21 VAL A 602 1.184 -5.455 1.337 1.00 0.00 H new ATOM 0 HG22 VAL A 602 1.101 -4.440 2.796 1.00 0.00 H new ATOM 0 HG23 VAL A 602 -0.136 -5.686 2.507 1.00 0.00 H new ATOM 571 N LEU A 603 -2.375 -4.178 4.196 1.00 0.00 N ATOM 572 CA LEU A 603 -3.341 -4.990 4.947 1.00 0.00 C ATOM 573 C LEU A 603 -4.585 -4.196 5.388 1.00 0.00 C ATOM 574 O LEU A 603 -5.682 -4.762 5.386 1.00 0.00 O ATOM 575 CB LEU A 603 -2.661 -5.612 6.178 1.00 0.00 C ATOM 576 CG LEU A 603 -1.555 -6.647 5.905 1.00 0.00 C ATOM 577 CD1 LEU A 603 -1.117 -7.251 7.242 1.00 0.00 C ATOM 578 CD2 LEU A 603 -2.017 -7.793 4.999 1.00 0.00 C ATOM 0 H LEU A 603 -1.750 -3.638 4.795 1.00 0.00 H new ATOM 0 HA LEU A 603 -3.685 -5.772 4.270 1.00 0.00 H new ATOM 0 HB2 LEU A 603 -2.234 -4.806 6.775 1.00 0.00 H new ATOM 0 HB3 LEU A 603 -3.429 -6.087 6.788 1.00 0.00 H new ATOM 0 HG LEU A 603 -0.743 -6.127 5.397 1.00 0.00 H new ATOM 0 HD11 LEU A 603 -0.333 -7.988 7.069 1.00 0.00 H new ATOM 0 HD12 LEU A 603 -0.737 -6.462 7.891 1.00 0.00 H new ATOM 0 HD13 LEU A 603 -1.969 -7.734 7.720 1.00 0.00 H new ATOM 0 HD21 LEU A 603 -1.193 -8.489 4.844 1.00 0.00 H new ATOM 0 HD22 LEU A 603 -2.850 -8.316 5.469 1.00 0.00 H new ATOM 0 HD23 LEU A 603 -2.337 -7.391 4.038 1.00 0.00 H new ATOM 590 N CYS A 604 -4.431 -2.915 5.760 1.00 0.00 N ATOM 591 CA CYS A 604 -5.505 -2.089 6.339 1.00 0.00 C ATOM 592 C CYS A 604 -5.792 -0.750 5.625 1.00 0.00 C ATOM 593 O CYS A 604 -6.710 -0.022 6.014 1.00 0.00 O ATOM 594 CB CYS A 604 -5.283 -1.935 7.848 1.00 0.00 C ATOM 595 SG CYS A 604 -3.940 -0.789 8.279 1.00 0.00 S ATOM 0 H CYS A 604 -3.546 -2.417 5.666 1.00 0.00 H new ATOM 0 HA CYS A 604 -6.431 -2.637 6.165 1.00 0.00 H new ATOM 0 HB2 CYS A 604 -6.207 -1.586 8.308 1.00 0.00 H new ATOM 0 HB3 CYS A 604 -5.064 -2.914 8.275 1.00 0.00 H new ATOM 600 N LEU A 605 -5.050 -0.456 4.556 1.00 0.00 N ATOM 601 CA LEU A 605 -5.256 0.669 3.627 1.00 0.00 C ATOM 602 C LEU A 605 -5.244 2.073 4.276 1.00 0.00 C ATOM 603 O LEU A 605 -5.857 3.014 3.768 1.00 0.00 O ATOM 604 CB LEU A 605 -6.470 0.390 2.711 1.00 0.00 C ATOM 605 CG LEU A 605 -6.261 -0.753 1.700 1.00 0.00 C ATOM 606 CD1 LEU A 605 -7.561 -1.004 0.935 1.00 0.00 C ATOM 607 CD2 LEU A 605 -5.170 -0.419 0.678 1.00 0.00 C ATOM 0 H LEU A 605 -4.244 -1.024 4.296 1.00 0.00 H new ATOM 0 HA LEU A 605 -4.371 0.719 2.992 1.00 0.00 H new ATOM 0 HB2 LEU A 605 -7.332 0.153 3.334 1.00 0.00 H new ATOM 0 HB3 LEU A 605 -6.713 1.301 2.164 1.00 0.00 H new ATOM 0 HG LEU A 605 -5.958 -1.634 2.266 1.00 0.00 H new ATOM 0 HD11 LEU A 605 -7.412 -1.813 0.220 1.00 0.00 H new ATOM 0 HD12 LEU A 605 -8.348 -1.280 1.636 1.00 0.00 H new ATOM 0 HD13 LEU A 605 -7.851 -0.098 0.403 1.00 0.00 H new ATOM 0 HD21 LEU A 605 -5.055 -1.251 -0.016 1.00 0.00 H new ATOM 0 HD22 LEU A 605 -5.451 0.478 0.126 1.00 0.00 H new ATOM 0 HD23 LEU A 605 -4.227 -0.245 1.196 1.00 0.00 H new ATOM 619 N CYS A 606 -4.502 2.223 5.373 1.00 0.00 N ATOM 620 CA CYS A 606 -4.174 3.513 5.993 1.00 0.00 C ATOM 621 C CYS A 606 -2.685 3.842 5.783 1.00 0.00 C ATOM 622 O CYS A 606 -1.933 3.039 5.222 1.00 0.00 O ATOM 623 CB CYS A 606 -4.574 3.489 7.476 1.00 0.00 C ATOM 624 SG CYS A 606 -6.386 3.522 7.612 1.00 0.00 S ATOM 0 H CYS A 606 -4.099 1.429 5.872 1.00 0.00 H new ATOM 0 HA CYS A 606 -4.742 4.312 5.516 1.00 0.00 H new ATOM 0 HB2 CYS A 606 -4.178 2.594 7.956 1.00 0.00 H new ATOM 0 HB3 CYS A 606 -4.144 4.346 7.994 1.00 0.00 H new ATOM 0 HG CYS A 606 -6.728 3.499 8.866 1.00 0.00 H new ATOM 630 N ALA A 607 -2.251 5.021 6.238 1.00 0.00 N ATOM 631 CA ALA A 607 -0.849 5.440 6.179 1.00 0.00 C ATOM 632 C ALA A 607 0.083 4.371 6.787 1.00 0.00 C ATOM 633 O ALA A 607 -0.206 3.798 7.844 1.00 0.00 O ATOM 634 CB ALA A 607 -0.703 6.791 6.888 1.00 0.00 C ATOM 0 H ALA A 607 -2.867 5.716 6.660 1.00 0.00 H new ATOM 0 HA ALA A 607 -0.549 5.553 5.137 1.00 0.00 H new ATOM 0 HB1 ALA A 607 0.338 7.112 6.849 1.00 0.00 H new ATOM 0 HB2 ALA A 607 -1.330 7.532 6.392 1.00 0.00 H new ATOM 0 HB3 ALA A 607 -1.014 6.692 7.928 1.00 0.00 H new ATOM 640 N TYR A 608 1.187 4.083 6.095 1.00 0.00 N ATOM 641 CA TYR A 608 2.077 2.959 6.389 1.00 0.00 C ATOM 642 C TYR A 608 2.654 3.004 7.814 1.00 0.00 C ATOM 643 O TYR A 608 3.175 4.033 8.256 1.00 0.00 O ATOM 644 CB TYR A 608 3.186 2.947 5.336 1.00 0.00 C ATOM 645 CG TYR A 608 4.232 1.863 5.483 1.00 0.00 C ATOM 646 CD1 TYR A 608 3.864 0.502 5.461 1.00 0.00 C ATOM 647 CD2 TYR A 608 5.591 2.226 5.548 1.00 0.00 C ATOM 648 CE1 TYR A 608 4.858 -0.495 5.457 1.00 0.00 C ATOM 649 CE2 TYR A 608 6.586 1.234 5.524 1.00 0.00 C ATOM 650 CZ TYR A 608 6.220 -0.126 5.443 1.00 0.00 C ATOM 651 OH TYR A 608 7.182 -1.066 5.257 1.00 0.00 O ATOM 0 H TYR A 608 1.494 4.638 5.296 1.00 0.00 H new ATOM 0 HA TYR A 608 1.501 2.035 6.346 1.00 0.00 H new ATOM 0 HB2 TYR A 608 2.725 2.848 4.353 1.00 0.00 H new ATOM 0 HB3 TYR A 608 3.689 3.914 5.356 1.00 0.00 H new ATOM 0 HD1 TYR A 608 2.820 0.225 5.447 1.00 0.00 H new ATOM 0 HD2 TYR A 608 5.869 3.267 5.616 1.00 0.00 H new ATOM 0 HE1 TYR A 608 4.579 -1.538 5.465 1.00 0.00 H new ATOM 0 HE2 TYR A 608 7.629 1.512 5.567 1.00 0.00 H new ATOM 0 HH TYR A 608 6.762 -1.936 5.091 1.00 0.00 H new ATOM 661 N HIS A 609 2.565 1.872 8.519 1.00 0.00 N ATOM 662 CA HIS A 609 2.945 1.728 9.932 1.00 0.00 C ATOM 663 C HIS A 609 4.034 0.661 10.185 1.00 0.00 C ATOM 664 O HIS A 609 4.209 0.192 11.312 1.00 0.00 O ATOM 665 CB HIS A 609 1.675 1.590 10.791 1.00 0.00 C ATOM 666 CG HIS A 609 0.801 0.402 10.466 1.00 0.00 C ATOM 667 ND1 HIS A 609 1.034 -0.895 10.843 1.00 0.00 N ATOM 668 CD2 HIS A 609 -0.406 0.419 9.815 1.00 0.00 C ATOM 669 CE1 HIS A 609 0.000 -1.646 10.451 1.00 0.00 C ATOM 670 NE2 HIS A 609 -0.916 -0.897 9.792 1.00 0.00 N ATOM 0 H HIS A 609 2.217 1.004 8.112 1.00 0.00 H new ATOM 0 HA HIS A 609 3.451 2.639 10.252 1.00 0.00 H new ATOM 0 HB2 HIS A 609 1.970 1.527 11.838 1.00 0.00 H new ATOM 0 HB3 HIS A 609 1.082 2.498 10.681 1.00 0.00 H new ATOM 0 HD1 HIS A 609 1.859 -1.231 11.340 1.00 0.00 H new ATOM 0 HD2 HIS A 609 -0.884 1.290 9.392 1.00 0.00 H new ATOM 0 HE1 HIS A 609 -0.092 -2.706 10.635 1.00 0.00 H new ATOM 678 N GLY A 610 4.787 0.291 9.141 1.00 0.00 N ATOM 679 CA GLY A 610 6.004 -0.527 9.227 1.00 0.00 C ATOM 680 C GLY A 610 5.846 -1.843 10.002 1.00 0.00 C ATOM 681 O GLY A 610 5.043 -2.704 9.633 1.00 0.00 O ATOM 0 H GLY A 610 4.559 0.561 8.184 1.00 0.00 H new ATOM 0 HA2 GLY A 610 6.342 -0.756 8.216 1.00 0.00 H new ATOM 0 HA3 GLY A 610 6.789 0.064 9.700 1.00 0.00 H new ATOM 685 N SER A 611 6.636 -1.998 11.069 1.00 0.00 N ATOM 686 CA SER A 611 6.709 -3.222 11.895 1.00 0.00 C ATOM 687 C SER A 611 5.599 -3.346 12.954 1.00 0.00 C ATOM 688 O SER A 611 5.471 -4.401 13.579 1.00 0.00 O ATOM 689 CB SER A 611 8.077 -3.300 12.587 1.00 0.00 C ATOM 690 OG SER A 611 9.133 -3.247 11.636 1.00 0.00 O ATOM 0 H SER A 611 7.261 -1.261 11.396 1.00 0.00 H new ATOM 0 HA SER A 611 6.565 -4.052 11.203 1.00 0.00 H new ATOM 0 HB2 SER A 611 8.178 -2.477 13.294 1.00 0.00 H new ATOM 0 HB3 SER A 611 8.146 -4.224 13.161 1.00 0.00 H new ATOM 0 HG SER A 611 9.994 -3.297 12.101 1.00 0.00 H new ATOM 696 N GLU A 612 4.787 -2.306 13.173 1.00 0.00 N ATOM 697 CA GLU A 612 3.632 -2.354 14.085 1.00 0.00 C ATOM 698 C GLU A 612 2.426 -3.057 13.430 1.00 0.00 C ATOM 699 O GLU A 612 2.280 -3.051 12.206 1.00 0.00 O ATOM 700 CB GLU A 612 3.260 -0.940 14.572 1.00 0.00 C ATOM 701 CG GLU A 612 4.163 -0.414 15.700 1.00 0.00 C ATOM 702 CD GLU A 612 5.628 -0.180 15.273 1.00 0.00 C ATOM 703 OE1 GLU A 612 5.918 0.846 14.610 1.00 0.00 O ATOM 704 OE2 GLU A 612 6.509 -0.997 15.638 1.00 0.00 O ATOM 0 H GLU A 612 4.911 -1.400 12.721 1.00 0.00 H new ATOM 0 HA GLU A 612 3.918 -2.945 14.955 1.00 0.00 H new ATOM 0 HB2 GLU A 612 3.309 -0.251 13.729 1.00 0.00 H new ATOM 0 HB3 GLU A 612 2.227 -0.946 14.919 1.00 0.00 H new ATOM 0 HG2 GLU A 612 3.750 0.523 16.075 1.00 0.00 H new ATOM 0 HG3 GLU A 612 4.145 -1.124 16.527 1.00 0.00 H new ATOM 711 N ASP A 613 1.547 -3.662 14.235 1.00 0.00 N ATOM 712 CA ASP A 613 0.355 -4.383 13.756 1.00 0.00 C ATOM 713 C ASP A 613 -0.831 -3.445 13.437 1.00 0.00 C ATOM 714 O ASP A 613 -0.903 -2.310 13.921 1.00 0.00 O ATOM 715 CB ASP A 613 -0.031 -5.456 14.787 1.00 0.00 C ATOM 716 CG ASP A 613 -1.059 -6.486 14.277 1.00 0.00 C ATOM 717 OD1 ASP A 613 -1.087 -6.777 13.057 1.00 0.00 O ATOM 718 OD2 ASP A 613 -1.818 -7.037 15.110 1.00 0.00 O ATOM 0 H ASP A 613 1.641 -3.667 15.251 1.00 0.00 H new ATOM 0 HA ASP A 613 0.606 -4.861 12.809 1.00 0.00 H new ATOM 0 HB2 ASP A 613 0.870 -5.984 15.099 1.00 0.00 H new ATOM 0 HB3 ASP A 613 -0.435 -4.964 15.672 1.00 0.00 H new ATOM 723 N CYS A 614 -1.772 -3.935 12.628 1.00 0.00 N ATOM 724 CA CYS A 614 -2.992 -3.231 12.224 1.00 0.00 C ATOM 725 C CYS A 614 -4.024 -3.115 13.374 1.00 0.00 C ATOM 726 O CYS A 614 -4.009 -3.875 14.349 1.00 0.00 O ATOM 727 CB CYS A 614 -3.589 -3.929 10.986 1.00 0.00 C ATOM 728 SG CYS A 614 -2.493 -3.803 9.541 1.00 0.00 S ATOM 0 H CYS A 614 -1.703 -4.868 12.221 1.00 0.00 H new ATOM 0 HA CYS A 614 -2.728 -2.205 11.967 1.00 0.00 H new ATOM 0 HB2 CYS A 614 -3.770 -4.979 11.214 1.00 0.00 H new ATOM 0 HB3 CYS A 614 -4.555 -3.483 10.749 1.00 0.00 H new ATOM 733 N ARG A 615 -4.948 -2.154 13.229 1.00 0.00 N ATOM 734 CA ARG A 615 -6.071 -1.890 14.153 1.00 0.00 C ATOM 735 C ARG A 615 -7.122 -3.014 14.173 1.00 0.00 C ATOM 736 O ARG A 615 -7.216 -3.810 13.234 1.00 0.00 O ATOM 737 CB ARG A 615 -6.700 -0.520 13.821 1.00 0.00 C ATOM 738 CG ARG A 615 -7.425 -0.508 12.465 1.00 0.00 C ATOM 739 CD ARG A 615 -7.808 0.912 12.028 1.00 0.00 C ATOM 740 NE ARG A 615 -8.294 0.919 10.632 1.00 0.00 N ATOM 741 CZ ARG A 615 -7.557 0.756 9.545 1.00 0.00 C ATOM 742 NH1 ARG A 615 -6.256 0.727 9.600 1.00 0.00 N ATOM 743 NH2 ARG A 615 -8.116 0.598 8.384 1.00 0.00 N ATOM 0 H ARG A 615 -4.937 -1.513 12.436 1.00 0.00 H new ATOM 0 HA ARG A 615 -5.667 -1.864 15.165 1.00 0.00 H new ATOM 0 HB2 ARG A 615 -7.405 -0.249 14.607 1.00 0.00 H new ATOM 0 HB3 ARG A 615 -5.920 0.241 13.817 1.00 0.00 H new ATOM 0 HG2 ARG A 615 -6.784 -0.959 11.708 1.00 0.00 H new ATOM 0 HG3 ARG A 615 -8.323 -1.122 12.529 1.00 0.00 H new ATOM 0 HD2 ARG A 615 -8.581 1.305 12.689 1.00 0.00 H new ATOM 0 HD3 ARG A 615 -6.945 1.571 12.120 1.00 0.00 H new ATOM 0 HE ARG A 615 -9.294 1.063 10.493 1.00 0.00 H new ATOM 0 HH11 ARG A 615 -5.781 0.831 10.497 1.00 0.00 H new ATOM 0 HH12 ARG A 615 -5.712 0.600 8.746 1.00 0.00 H new ATOM 0 HH21 ARG A 615 -9.133 0.599 8.303 1.00 0.00 H new ATOM 0 HH22 ARG A 615 -7.538 0.473 7.553 1.00 0.00 H new ATOM 757 N ARG A 616 -7.945 -3.039 15.228 1.00 0.00 N ATOM 758 CA ARG A 616 -9.090 -3.958 15.420 1.00 0.00 C ATOM 759 C ARG A 616 -10.370 -3.195 15.790 1.00 0.00 C ATOM 760 O ARG A 616 -10.303 -2.091 16.340 1.00 0.00 O ATOM 761 CB ARG A 616 -8.750 -5.018 16.487 1.00 0.00 C ATOM 762 CG ARG A 616 -7.598 -5.948 16.066 1.00 0.00 C ATOM 763 CD ARG A 616 -7.312 -7.030 17.116 1.00 0.00 C ATOM 764 NE ARG A 616 -8.413 -8.011 17.225 1.00 0.00 N ATOM 765 CZ ARG A 616 -8.546 -8.951 18.145 1.00 0.00 C ATOM 766 NH1 ARG A 616 -7.672 -9.119 19.099 1.00 0.00 N ATOM 767 NH2 ARG A 616 -9.575 -9.750 18.126 1.00 0.00 N ATOM 0 H ARG A 616 -7.832 -2.394 16.010 1.00 0.00 H new ATOM 0 HA ARG A 616 -9.279 -4.465 14.474 1.00 0.00 H new ATOM 0 HB2 ARG A 616 -8.483 -4.516 17.417 1.00 0.00 H new ATOM 0 HB3 ARG A 616 -9.637 -5.617 16.691 1.00 0.00 H new ATOM 0 HG2 ARG A 616 -7.845 -6.422 15.116 1.00 0.00 H new ATOM 0 HG3 ARG A 616 -6.697 -5.356 15.902 1.00 0.00 H new ATOM 0 HD2 ARG A 616 -6.390 -7.550 16.857 1.00 0.00 H new ATOM 0 HD3 ARG A 616 -7.151 -6.559 18.086 1.00 0.00 H new ATOM 0 HE ARG A 616 -9.146 -7.957 16.517 1.00 0.00 H new ATOM 0 HH11 ARG A 616 -6.853 -8.514 19.152 1.00 0.00 H new ATOM 0 HH12 ARG A 616 -7.808 -9.855 19.792 1.00 0.00 H new ATOM 0 HH21 ARG A 616 -10.283 -9.652 17.399 1.00 0.00 H new ATOM 0 HH22 ARG A 616 -9.672 -10.473 18.838 1.00 0.00 H new ATOM 781 N GLY A 617 -11.532 -3.791 15.500 1.00 0.00 N ATOM 782 CA GLY A 617 -12.870 -3.240 15.782 1.00 0.00 C ATOM 783 C GLY A 617 -13.996 -4.085 15.188 1.00 0.00 C ATOM 784 O GLY A 617 -14.132 -5.260 15.596 1.00 0.00 O ATOM 785 OXT GLY A 617 -14.727 -3.571 14.314 1.00 0.00 O ATOM 0 H GLY A 617 -11.572 -4.704 15.046 1.00 0.00 H new ATOM 0 HA2 GLY A 617 -13.008 -3.166 16.861 1.00 0.00 H new ATOM 0 HA3 GLY A 617 -12.932 -2.228 15.383 1.00 0.00 H new TER 789 GLY A 617 HETATM 790 ZN ZN A 701 -2.475 7.803 -5.099 1.00 0.00 ZN HETATM 791 ZN ZN A 702 -2.096 -1.897 8.581 1.00 0.00 ZN