USER MOD reduce.3.24.130724 H: found=0, std=0, add=473, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 473 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 Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot -35:sc= 0.977 USER MOD Single : A 10 CYS SG : rot -20:sc= 0.0639 USER MOD Single : A 18 LYS NZ :NH3+ -158:sc= 1.25 (180deg=1.08) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -14:sc= 0.579 USER MOD Single : A 59 LYS NZ :NH3+ -172:sc= -0.625 (180deg=-0.927) USER MOD Single : A 63 SER OG : rot 110:sc= -1.46 USER MOD Single : A 75 SER OG : rot -98:sc= 1.17 USER MOD Single : A 92 SER OG : rot 13:sc= -1.74! USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -10.096 13.110 -7.745 1.00 0.00 N ATOM 2 CA ALA A 1 -9.481 12.004 -6.957 1.00 0.00 C ATOM 3 C ALA A 1 -10.100 10.657 -7.320 1.00 0.00 C ATOM 4 O ALA A 1 -11.019 10.185 -6.653 1.00 0.00 O ATOM 5 CB ALA A 1 -9.631 12.265 -5.463 1.00 0.00 C ATOM 0 H1 ALA A 1 -9.656 14.013 -7.477 1.00 0.00 H new ATOM 0 H2 ALA A 1 -9.945 12.939 -8.760 1.00 0.00 H new ATOM 0 H3 ALA A 1 -11.116 13.151 -7.548 1.00 0.00 H new ATOM 0 HA ALA A 1 -8.420 11.969 -7.205 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -9.176 11.448 -4.903 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -9.135 13.201 -5.206 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -10.689 12.334 -5.210 1.00 0.00 H new ATOM 13 N VAL A 2 -9.592 10.045 -8.386 1.00 0.00 N ATOM 14 CA VAL A 2 -10.100 8.757 -8.835 1.00 0.00 C ATOM 15 C VAL A 2 -9.772 7.657 -7.833 1.00 0.00 C ATOM 16 O VAL A 2 -8.842 7.779 -7.036 1.00 0.00 O ATOM 17 CB VAL A 2 -9.536 8.369 -10.214 1.00 0.00 C ATOM 18 CG1 VAL A 2 -10.201 9.185 -11.314 1.00 0.00 C ATOM 19 CG2 VAL A 2 -8.025 8.549 -10.244 1.00 0.00 C ATOM 0 H VAL A 2 -8.831 10.421 -8.952 1.00 0.00 H new ATOM 0 HA VAL A 2 -11.182 8.861 -8.917 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.756 7.316 -10.392 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -9.789 8.896 -12.281 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -11.275 8.998 -11.307 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -10.016 10.245 -11.143 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -7.645 8.270 -11.227 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -7.779 9.591 -10.042 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -7.568 7.915 -9.484 1.00 0.00 H new ATOM 29 N LEU A 3 -10.563 6.594 -7.868 1.00 0.00 N ATOM 30 CA LEU A 3 -10.410 5.478 -6.968 1.00 0.00 C ATOM 31 C LEU A 3 -9.235 4.594 -7.302 1.00 0.00 C ATOM 32 O LEU A 3 -8.638 4.683 -8.375 1.00 0.00 O ATOM 33 CB LEU A 3 -11.666 4.608 -7.027 1.00 0.00 C ATOM 34 CG LEU A 3 -12.685 4.843 -5.920 1.00 0.00 C ATOM 35 CD1 LEU A 3 -12.018 5.517 -4.757 1.00 0.00 C ATOM 36 CD2 LEU A 3 -13.861 5.666 -6.424 1.00 0.00 C ATOM 0 H LEU A 3 -11.332 6.489 -8.529 1.00 0.00 H new ATOM 0 HA LEU A 3 -10.244 5.904 -5.979 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -12.155 4.773 -7.987 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -11.362 3.562 -7.000 1.00 0.00 H new ATOM 0 HG LEU A 3 -13.077 3.880 -5.594 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -12.749 5.685 -3.966 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -11.215 4.883 -4.381 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -11.606 6.473 -5.078 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -14.573 5.818 -5.613 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -13.503 6.632 -6.779 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -14.351 5.138 -7.242 1.00 0.00 H new ATOM 48 N ASP A 4 -8.954 3.697 -6.368 1.00 0.00 N ATOM 49 CA ASP A 4 -7.904 2.745 -6.535 1.00 0.00 C ATOM 50 C ASP A 4 -8.413 1.628 -7.446 1.00 0.00 C ATOM 51 O ASP A 4 -9.094 1.898 -8.435 1.00 0.00 O ATOM 52 CB ASP A 4 -7.453 2.196 -5.176 1.00 0.00 C ATOM 53 CG ASP A 4 -6.091 1.535 -5.247 1.00 0.00 C ATOM 54 OD1 ASP A 4 -5.202 2.082 -5.931 1.00 0.00 O ATOM 55 OD2 ASP A 4 -5.917 0.463 -4.631 1.00 0.00 O ATOM 0 H ASP A 4 -9.454 3.621 -5.482 1.00 0.00 H new ATOM 0 HA ASP A 4 -7.035 3.218 -6.992 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -7.423 3.009 -4.450 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -8.187 1.474 -4.816 1.00 0.00 H new ATOM 60 N LEU A 5 -8.110 0.382 -7.112 1.00 0.00 N ATOM 61 CA LEU A 5 -8.559 -0.739 -7.882 1.00 0.00 C ATOM 62 C LEU A 5 -9.898 -1.239 -7.337 1.00 0.00 C ATOM 63 O LEU A 5 -10.844 -0.460 -7.221 1.00 0.00 O ATOM 64 CB LEU A 5 -7.464 -1.809 -7.874 1.00 0.00 C ATOM 65 CG LEU A 5 -6.788 -2.074 -6.517 1.00 0.00 C ATOM 66 CD1 LEU A 5 -7.330 -3.331 -5.873 1.00 0.00 C ATOM 67 CD2 LEU A 5 -5.279 -2.181 -6.684 1.00 0.00 C ATOM 0 H LEU A 5 -7.546 0.134 -6.299 1.00 0.00 H new ATOM 0 HA LEU A 5 -8.736 -0.458 -8.920 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -7.895 -2.744 -8.231 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -6.695 -1.519 -8.590 1.00 0.00 H new ATOM 0 HG LEU A 5 -7.012 -1.231 -5.863 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -6.834 -3.493 -4.916 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -8.403 -3.224 -5.712 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -7.144 -4.184 -6.526 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -4.818 -2.368 -5.714 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -5.045 -3.002 -7.362 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -4.892 -1.249 -7.096 1.00 0.00 H new ATOM 79 N ASP A 6 -9.980 -2.513 -6.965 1.00 0.00 N ATOM 80 CA ASP A 6 -11.203 -3.042 -6.404 1.00 0.00 C ATOM 81 C ASP A 6 -11.354 -2.477 -5.008 1.00 0.00 C ATOM 82 O ASP A 6 -12.411 -1.978 -4.622 1.00 0.00 O ATOM 83 CB ASP A 6 -11.173 -4.573 -6.371 1.00 0.00 C ATOM 84 CG ASP A 6 -12.326 -5.189 -7.139 1.00 0.00 C ATOM 85 OD1 ASP A 6 -13.395 -4.547 -7.221 1.00 0.00 O ATOM 86 OD2 ASP A 6 -12.159 -6.312 -7.659 1.00 0.00 O ATOM 0 H ASP A 6 -9.218 -3.187 -7.044 1.00 0.00 H new ATOM 0 HA ASP A 6 -12.053 -2.753 -7.021 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -10.231 -4.925 -6.791 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -11.207 -4.912 -5.336 1.00 0.00 H new ATOM 91 N VAL A 7 -10.253 -2.519 -4.283 1.00 0.00 N ATOM 92 CA VAL A 7 -10.183 -1.979 -2.949 1.00 0.00 C ATOM 93 C VAL A 7 -9.802 -0.503 -3.012 1.00 0.00 C ATOM 94 O VAL A 7 -8.627 -0.145 -2.927 1.00 0.00 O ATOM 95 CB VAL A 7 -9.156 -2.729 -2.084 1.00 0.00 C ATOM 96 CG1 VAL A 7 -9.672 -4.112 -1.720 1.00 0.00 C ATOM 97 CG2 VAL A 7 -7.818 -2.823 -2.804 1.00 0.00 C ATOM 0 H VAL A 7 -9.379 -2.932 -4.609 1.00 0.00 H new ATOM 0 HA VAL A 7 -11.165 -2.098 -2.492 1.00 0.00 H new ATOM 0 HB VAL A 7 -9.007 -2.168 -1.161 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -8.932 -4.627 -1.108 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -10.603 -4.017 -1.161 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -9.852 -4.684 -2.630 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -7.104 -3.357 -2.177 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -7.947 -3.360 -3.744 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -7.443 -1.820 -3.008 1.00 0.00 H new ATOM 107 N ARG A 8 -10.805 0.337 -3.194 1.00 0.00 N ATOM 108 CA ARG A 8 -10.633 1.755 -3.309 1.00 0.00 C ATOM 109 C ARG A 8 -10.355 2.414 -1.957 1.00 0.00 C ATOM 110 O ARG A 8 -10.256 1.731 -0.939 1.00 0.00 O ATOM 111 CB ARG A 8 -11.904 2.300 -3.936 1.00 0.00 C ATOM 112 CG ARG A 8 -12.199 1.676 -5.285 1.00 0.00 C ATOM 113 CD ARG A 8 -13.684 1.686 -5.586 1.00 0.00 C ATOM 114 NE ARG A 8 -13.966 1.313 -6.971 1.00 0.00 N ATOM 115 CZ ARG A 8 -13.986 0.061 -7.416 1.00 0.00 C ATOM 116 NH1 ARG A 8 -13.745 -0.947 -6.589 1.00 0.00 N ATOM 117 NH2 ARG A 8 -14.246 -0.184 -8.692 1.00 0.00 N ATOM 0 H ARG A 8 -11.777 0.036 -3.266 1.00 0.00 H new ATOM 0 HA ARG A 8 -9.764 1.979 -3.927 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -12.743 2.119 -3.264 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -11.815 3.380 -4.051 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -11.665 2.220 -6.064 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -11.830 0.651 -5.302 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -14.194 0.996 -4.914 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -14.087 2.680 -5.389 1.00 0.00 H new ATOM 0 HE ARG A 8 -14.160 2.060 -7.638 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -13.543 -0.763 -5.606 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -13.762 -1.906 -6.936 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -14.431 0.588 -9.332 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -14.261 -1.145 -9.034 1.00 0.00 H new ATOM 131 N THR A 9 -10.241 3.749 -1.968 1.00 0.00 N ATOM 132 CA THR A 9 -9.981 4.549 -0.773 1.00 0.00 C ATOM 133 C THR A 9 -9.213 3.789 0.308 1.00 0.00 C ATOM 134 O THR A 9 -9.770 2.948 1.013 1.00 0.00 O ATOM 135 CB THR A 9 -11.290 5.112 -0.229 1.00 0.00 C ATOM 136 OG1 THR A 9 -11.716 4.426 0.934 1.00 0.00 O ATOM 137 CG2 THR A 9 -12.419 5.078 -1.231 1.00 0.00 C ATOM 0 H THR A 9 -10.328 4.306 -2.818 1.00 0.00 H new ATOM 0 HA THR A 9 -9.331 5.371 -1.073 1.00 0.00 H new ATOM 0 HB THR A 9 -11.064 6.152 0.007 1.00 0.00 H new ATOM 0 HG1 THR A 9 -11.477 3.478 0.861 1.00 0.00 H new ATOM 0 HG21 THR A 9 -13.320 5.493 -0.779 1.00 0.00 H new ATOM 0 HG22 THR A 9 -12.147 5.669 -2.106 1.00 0.00 H new ATOM 0 HG23 THR A 9 -12.606 4.048 -1.533 1.00 0.00 H new ATOM 145 N CYS A 10 -7.925 4.105 0.435 1.00 0.00 N ATOM 146 CA CYS A 10 -7.065 3.463 1.435 1.00 0.00 C ATOM 147 C CYS A 10 -6.295 4.506 2.245 1.00 0.00 C ATOM 148 O CYS A 10 -5.744 5.451 1.681 1.00 0.00 O ATOM 149 CB CYS A 10 -6.077 2.511 0.758 1.00 0.00 C ATOM 150 SG CYS A 10 -6.789 1.529 -0.601 1.00 0.00 S ATOM 0 H CYS A 10 -7.452 4.801 -0.141 1.00 0.00 H new ATOM 0 HA CYS A 10 -7.706 2.897 2.111 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -5.240 3.091 0.371 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -5.674 1.831 1.509 1.00 0.00 H new ATOM 0 HG CYS A 10 -8.083 1.496 -0.481 1.00 0.00 H new ATOM 174 N PRO A 12 -3.373 5.698 5.405 1.00 0.00 N ATOM 175 CA PRO A 12 -2.039 5.364 5.848 1.00 0.00 C ATOM 176 C PRO A 12 -2.028 4.108 6.711 1.00 0.00 C ATOM 177 O PRO A 12 -3.075 3.512 6.982 1.00 0.00 O ATOM 178 CB PRO A 12 -1.592 6.562 6.685 1.00 0.00 C ATOM 179 CG PRO A 12 -2.513 7.684 6.362 1.00 0.00 C ATOM 180 CD PRO A 12 -3.719 7.108 5.663 1.00 0.00 C ATOM 0 HA PRO A 12 -1.384 5.164 5.000 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.630 6.326 7.748 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -0.561 6.831 6.455 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -2.812 8.206 7.271 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -2.015 8.415 5.724 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -4.611 7.188 6.284 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.928 7.639 4.735 1.00 0.00 H new ATOM 188 N CYS A 13 -0.842 3.730 7.154 1.00 0.00 N ATOM 189 CA CYS A 13 -0.667 2.564 7.980 1.00 0.00 C ATOM 190 C CYS A 13 0.639 2.660 8.745 1.00 0.00 C ATOM 191 O CYS A 13 1.319 3.686 8.700 1.00 0.00 O ATOM 192 CB CYS A 13 -0.679 1.308 7.113 1.00 0.00 C ATOM 193 SG CYS A 13 -1.170 -0.219 7.972 1.00 0.00 S ATOM 0 H CYS A 13 0.024 4.228 6.947 1.00 0.00 H new ATOM 0 HA CYS A 13 -1.488 2.508 8.695 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -1.358 1.470 6.276 1.00 0.00 H new ATOM 0 HB3 CYS A 13 0.317 1.166 6.693 1.00 0.00 H new ATOM 198 N GLY A 14 1.005 1.586 9.426 1.00 0.00 N ATOM 199 CA GLY A 14 2.239 1.585 10.156 1.00 0.00 C ATOM 200 C GLY A 14 2.254 2.573 11.297 1.00 0.00 C ATOM 201 O GLY A 14 1.264 2.741 12.009 1.00 0.00 O ATOM 0 H GLY A 14 0.467 0.721 9.482 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.421 0.584 10.548 1.00 0.00 H new ATOM 0 HA3 GLY A 14 3.058 1.815 9.474 1.00 0.00 H new ATOM 205 N PRO A 15 3.400 3.218 11.497 1.00 0.00 N ATOM 206 CA PRO A 15 3.615 4.187 12.565 1.00 0.00 C ATOM 207 C PRO A 15 3.154 5.596 12.191 1.00 0.00 C ATOM 208 O PRO A 15 3.925 6.392 11.657 1.00 0.00 O ATOM 209 CB PRO A 15 5.132 4.118 12.714 1.00 0.00 C ATOM 210 CG PRO A 15 5.608 3.947 11.321 1.00 0.00 C ATOM 211 CD PRO A 15 4.616 3.014 10.693 1.00 0.00 C ATOM 0 HA PRO A 15 3.052 3.968 13.473 1.00 0.00 H new ATOM 0 HB2 PRO A 15 5.533 5.025 13.167 1.00 0.00 H new ATOM 0 HB3 PRO A 15 5.436 3.285 13.347 1.00 0.00 H new ATOM 0 HG2 PRO A 15 5.643 4.901 10.794 1.00 0.00 H new ATOM 0 HG3 PRO A 15 6.615 3.531 11.295 1.00 0.00 H new ATOM 0 HD2 PRO A 15 4.448 3.253 9.643 1.00 0.00 H new ATOM 0 HD3 PRO A 15 4.956 1.979 10.734 1.00 0.00 H new ATOM 219 N GLY A 16 1.886 5.894 12.477 1.00 0.00 N ATOM 220 CA GLY A 16 1.334 7.203 12.165 1.00 0.00 C ATOM 221 C GLY A 16 0.584 7.212 10.847 1.00 0.00 C ATOM 222 O GLY A 16 -0.639 7.335 10.817 1.00 0.00 O ATOM 0 H GLY A 16 1.231 5.250 12.920 1.00 0.00 H new ATOM 0 HA2 GLY A 16 0.661 7.511 12.965 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.141 7.935 12.127 1.00 0.00 H new ATOM 226 N GLY A 17 1.326 7.055 9.759 1.00 0.00 N ATOM 227 CA GLY A 17 0.741 7.019 8.441 1.00 0.00 C ATOM 228 C GLY A 17 1.783 6.881 7.365 1.00 0.00 C ATOM 229 O GLY A 17 1.652 7.421 6.266 1.00 0.00 O ATOM 0 H GLY A 17 2.341 6.951 9.772 1.00 0.00 H new ATOM 0 HA2 GLY A 17 0.042 6.185 8.377 1.00 0.00 H new ATOM 0 HA3 GLY A 17 0.166 7.930 8.274 1.00 0.00 H new ATOM 233 N LYS A 18 2.821 6.153 7.707 1.00 0.00 N ATOM 234 CA LYS A 18 3.929 5.902 6.827 1.00 0.00 C ATOM 235 C LYS A 18 3.534 4.927 5.737 1.00 0.00 C ATOM 236 O LYS A 18 3.966 5.033 4.590 1.00 0.00 O ATOM 237 CB LYS A 18 5.071 5.336 7.658 1.00 0.00 C ATOM 238 CG LYS A 18 6.089 6.356 8.100 1.00 0.00 C ATOM 239 CD LYS A 18 5.448 7.706 8.304 1.00 0.00 C ATOM 240 CE LYS A 18 6.445 8.744 8.790 1.00 0.00 C ATOM 241 NZ LYS A 18 6.926 9.618 7.684 1.00 0.00 N ATOM 0 H LYS A 18 2.917 5.713 8.622 1.00 0.00 H new ATOM 0 HA LYS A 18 4.239 6.828 6.343 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.655 4.851 8.541 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.577 4.564 7.078 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.558 6.028 9.028 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.879 6.434 7.353 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.004 8.041 7.367 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.637 7.616 9.027 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.981 9.358 9.562 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.295 8.242 9.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.838 10.042 7.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.045 9.051 6.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.231 10.372 7.510 1.00 0.00 H new ATOM 255 N GLY A 19 2.698 3.986 6.119 1.00 0.00 N ATOM 256 CA GLY A 19 2.215 2.991 5.203 1.00 0.00 C ATOM 257 C GLY A 19 0.745 3.156 4.901 1.00 0.00 C ATOM 258 O GLY A 19 0.181 4.217 5.130 1.00 0.00 O ATOM 0 H GLY A 19 2.339 3.894 7.069 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.783 3.049 4.275 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.389 2.000 5.622 1.00 0.00 H new ATOM 262 N ARG A 20 0.135 2.105 4.380 1.00 0.00 N ATOM 263 CA ARG A 20 -1.273 2.114 4.031 1.00 0.00 C ATOM 264 C ARG A 20 -1.767 0.676 3.892 1.00 0.00 C ATOM 265 O ARG A 20 -0.966 -0.258 3.920 1.00 0.00 O ATOM 266 CB ARG A 20 -1.461 2.874 2.729 1.00 0.00 C ATOM 267 CG ARG A 20 -0.918 2.124 1.538 1.00 0.00 C ATOM 268 CD ARG A 20 -1.821 2.276 0.340 1.00 0.00 C ATOM 269 NE ARG A 20 -1.076 2.548 -0.886 1.00 0.00 N ATOM 270 CZ ARG A 20 -0.199 3.540 -1.023 1.00 0.00 C ATOM 271 NH1 ARG A 20 0.022 4.391 -0.028 1.00 0.00 N ATOM 272 NH2 ARG A 20 0.448 3.695 -2.169 1.00 0.00 N ATOM 0 H ARG A 20 0.604 1.220 4.187 1.00 0.00 H new ATOM 0 HA ARG A 20 -1.851 2.608 4.812 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.522 3.071 2.577 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.965 3.842 2.802 1.00 0.00 H new ATOM 0 HG2 ARG A 20 0.078 2.494 1.295 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.814 1.068 1.787 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -2.407 1.366 0.212 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -2.527 3.087 0.521 1.00 0.00 H new ATOM 0 HE ARG A 20 -1.238 1.939 -1.688 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -0.483 4.288 0.853 1.00 0.00 H new ATOM 0 HH12 ARG A 20 0.696 5.147 -0.144 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.274 3.055 -2.944 1.00 0.00 H new ATOM 0 HH22 ARG A 20 1.120 4.454 -2.276 1.00 0.00 H new ATOM 286 N CYS A 21 -3.065 0.492 3.689 1.00 0.00 N ATOM 287 CA CYS A 21 -3.594 -0.860 3.497 1.00 0.00 C ATOM 288 C CYS A 21 -3.558 -1.222 2.025 1.00 0.00 C ATOM 289 O CYS A 21 -3.268 -0.372 1.186 1.00 0.00 O ATOM 290 CB CYS A 21 -5.011 -1.029 4.043 1.00 0.00 C ATOM 291 SG CYS A 21 -6.017 0.486 4.110 1.00 0.00 S ATOM 0 H CYS A 21 -3.759 1.238 3.653 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.955 -1.536 4.065 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -5.532 -1.762 3.428 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -4.946 -1.445 5.049 1.00 0.00 H new ATOM 296 N PHE A 22 -3.819 -2.487 1.701 1.00 0.00 N ATOM 297 CA PHE A 22 -3.765 -2.904 0.305 1.00 0.00 C ATOM 298 C PHE A 22 -4.812 -3.947 -0.080 1.00 0.00 C ATOM 299 O PHE A 22 -5.014 -4.193 -1.270 1.00 0.00 O ATOM 300 CB PHE A 22 -2.363 -3.408 -0.013 1.00 0.00 C ATOM 301 CG PHE A 22 -1.385 -2.286 -0.109 1.00 0.00 C ATOM 302 CD1 PHE A 22 -0.816 -1.761 1.035 1.00 0.00 C ATOM 303 CD2 PHE A 22 -1.058 -1.734 -1.333 1.00 0.00 C ATOM 304 CE1 PHE A 22 0.064 -0.706 0.961 1.00 0.00 C ATOM 305 CE2 PHE A 22 -0.177 -0.679 -1.413 1.00 0.00 C ATOM 306 CZ PHE A 22 0.385 -0.162 -0.263 1.00 0.00 C ATOM 0 H PHE A 22 -4.063 -3.221 2.366 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.004 -2.026 -0.295 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.042 -4.106 0.761 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -2.378 -3.959 -0.953 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -1.065 -2.183 1.998 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.497 -2.134 -2.235 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.503 -0.305 1.862 1.00 0.00 H new ATOM 0 HE2 PHE A 22 0.074 -0.256 -2.375 1.00 0.00 H new ATOM 0 HZ PHE A 22 1.075 0.667 -0.323 1.00 0.00 H new ATOM 316 N GLY A 23 -5.492 -4.553 0.889 1.00 0.00 N ATOM 317 CA GLY A 23 -6.497 -5.534 0.526 1.00 0.00 C ATOM 318 C GLY A 23 -7.009 -6.386 1.675 1.00 0.00 C ATOM 319 O GLY A 23 -7.951 -5.997 2.364 1.00 0.00 O ATOM 0 H GLY A 23 -5.371 -4.390 1.889 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.342 -5.015 0.074 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -6.081 -6.192 -0.237 1.00 0.00 H new ATOM 323 N PRO A 24 -6.440 -7.589 1.873 1.00 0.00 N ATOM 324 CA PRO A 24 -6.877 -8.522 2.901 1.00 0.00 C ATOM 325 C PRO A 24 -5.989 -8.522 4.137 1.00 0.00 C ATOM 326 O PRO A 24 -4.929 -9.149 4.143 1.00 0.00 O ATOM 327 CB PRO A 24 -6.741 -9.842 2.154 1.00 0.00 C ATOM 328 CG PRO A 24 -5.513 -9.667 1.313 1.00 0.00 C ATOM 329 CD PRO A 24 -5.348 -8.178 1.078 1.00 0.00 C ATOM 0 HA PRO A 24 -7.868 -8.292 3.293 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.635 -10.680 2.843 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -7.618 -10.044 1.540 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -4.638 -10.078 1.817 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -5.614 -10.198 0.367 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -4.372 -7.824 1.410 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.437 -7.925 0.022 1.00 0.00 H new ATOM 337 N SER A 25 -6.416 -7.823 5.186 1.00 0.00 N ATOM 338 CA SER A 25 -5.631 -7.766 6.417 1.00 0.00 C ATOM 339 C SER A 25 -4.206 -7.341 6.114 1.00 0.00 C ATOM 340 O SER A 25 -3.288 -7.644 6.871 1.00 0.00 O ATOM 341 CB SER A 25 -5.590 -9.145 7.075 1.00 0.00 C ATOM 342 OG SER A 25 -5.620 -9.039 8.488 1.00 0.00 O ATOM 0 H SER A 25 -7.288 -7.295 5.210 1.00 0.00 H new ATOM 0 HA SER A 25 -6.099 -7.044 7.085 1.00 0.00 H new ATOM 0 HB2 SER A 25 -6.438 -9.739 6.734 1.00 0.00 H new ATOM 0 HB3 SER A 25 -4.687 -9.672 6.766 1.00 0.00 H new ATOM 0 HG SER A 25 -5.594 -9.935 8.884 1.00 0.00 H new ATOM 348 N ILE A 26 -4.014 -6.686 4.982 1.00 0.00 N ATOM 349 CA ILE A 26 -2.686 -6.296 4.575 1.00 0.00 C ATOM 350 C ILE A 26 -2.436 -4.797 4.667 1.00 0.00 C ATOM 351 O ILE A 26 -3.359 -3.981 4.693 1.00 0.00 O ATOM 352 CB ILE A 26 -2.409 -6.778 3.143 1.00 0.00 C ATOM 353 CG1 ILE A 26 -0.952 -7.167 2.990 1.00 0.00 C ATOM 354 CG2 ILE A 26 -2.771 -5.707 2.134 1.00 0.00 C ATOM 355 CD1 ILE A 26 -0.710 -8.007 1.756 1.00 0.00 C ATOM 0 H ILE A 26 -4.757 -6.417 4.337 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.001 -6.772 5.276 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.030 -7.653 2.953 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.341 -6.266 2.939 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.631 -7.720 3.873 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.566 -6.071 1.127 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.830 -5.465 2.224 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.177 -4.813 2.324 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.348 -8.260 1.690 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.299 -8.922 1.817 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.004 -7.445 0.870 1.00 0.00 H new ATOM 367 N CYS A 27 -1.155 -4.472 4.700 1.00 0.00 N ATOM 368 CA CYS A 27 -0.675 -3.119 4.773 1.00 0.00 C ATOM 369 C CYS A 27 0.752 -3.078 4.236 1.00 0.00 C ATOM 370 O CYS A 27 1.506 -4.039 4.399 1.00 0.00 O ATOM 371 CB CYS A 27 -0.737 -2.649 6.208 1.00 0.00 C ATOM 372 SG CYS A 27 -1.977 -1.347 6.499 1.00 0.00 S ATOM 0 H CYS A 27 -0.408 -5.166 4.676 1.00 0.00 H new ATOM 0 HA CYS A 27 -1.293 -2.454 4.170 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.960 -3.501 6.851 1.00 0.00 H new ATOM 0 HB3 CYS A 27 0.244 -2.276 6.502 1.00 0.00 H new ATOM 377 N CYS A 28 1.119 -1.994 3.578 1.00 0.00 N ATOM 378 CA CYS A 28 2.441 -1.890 3.006 1.00 0.00 C ATOM 379 C CYS A 28 2.949 -0.461 3.033 1.00 0.00 C ATOM 380 O CYS A 28 2.497 0.374 2.248 1.00 0.00 O ATOM 381 CB CYS A 28 2.405 -2.413 1.571 1.00 0.00 C ATOM 382 SG CYS A 28 3.764 -3.538 1.137 1.00 0.00 S ATOM 0 H CYS A 28 0.522 -1.180 3.429 1.00 0.00 H new ATOM 0 HA CYS A 28 3.128 -2.490 3.603 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.459 -2.930 1.411 1.00 0.00 H new ATOM 0 HB3 CYS A 28 2.423 -1.563 0.889 1.00 0.00 H new ATOM 387 N GLY A 29 3.889 -0.167 3.921 1.00 0.00 N ATOM 388 CA GLY A 29 4.415 1.140 3.976 1.00 0.00 C ATOM 389 C GLY A 29 5.585 1.284 3.028 1.00 0.00 C ATOM 390 O GLY A 29 6.498 0.461 3.065 1.00 0.00 O ATOM 0 H GLY A 29 4.282 -0.824 4.594 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.640 1.861 3.717 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.734 1.367 4.993 1.00 0.00 H new ATOM 394 N ASP A 30 5.573 2.301 2.161 1.00 0.00 N ATOM 395 CA ASP A 30 6.663 2.485 1.207 1.00 0.00 C ATOM 396 C ASP A 30 7.945 2.634 1.990 1.00 0.00 C ATOM 397 O ASP A 30 8.797 1.745 1.986 1.00 0.00 O ATOM 398 CB ASP A 30 6.422 3.725 0.344 1.00 0.00 C ATOM 399 CG ASP A 30 7.472 3.888 -0.738 1.00 0.00 C ATOM 400 OD1 ASP A 30 7.669 2.937 -1.523 1.00 0.00 O ATOM 401 OD2 ASP A 30 8.096 4.968 -0.801 1.00 0.00 O ATOM 0 H ASP A 30 4.831 2.998 2.102 1.00 0.00 H new ATOM 0 HA ASP A 30 6.723 1.625 0.540 1.00 0.00 H new ATOM 0 HB2 ASP A 30 5.436 3.658 -0.117 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.417 4.611 0.979 1.00 0.00 H new ATOM 406 N GLU A 31 8.034 3.709 2.736 1.00 0.00 N ATOM 407 CA GLU A 31 9.151 3.926 3.613 1.00 0.00 C ATOM 408 C GLU A 31 8.905 3.133 4.891 1.00 0.00 C ATOM 409 O GLU A 31 9.317 3.545 5.976 1.00 0.00 O ATOM 410 CB GLU A 31 9.242 5.402 3.961 1.00 0.00 C ATOM 411 CG GLU A 31 7.994 5.913 4.675 1.00 0.00 C ATOM 412 CD GLU A 31 8.324 6.933 5.745 1.00 0.00 C ATOM 413 OE1 GLU A 31 9.149 6.620 6.629 1.00 0.00 O ATOM 414 OE2 GLU A 31 7.756 8.044 5.701 1.00 0.00 O ATOM 0 H GLU A 31 7.336 4.453 2.750 1.00 0.00 H new ATOM 0 HA GLU A 31 10.076 3.610 3.132 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.113 5.569 4.595 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.396 5.978 3.049 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.318 6.360 3.946 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.466 5.073 5.127 1.00 0.00 H new ATOM 421 N LEU A 32 8.135 2.052 4.772 1.00 0.00 N ATOM 422 CA LEU A 32 7.736 1.292 5.932 1.00 0.00 C ATOM 423 C LEU A 32 7.417 -0.174 5.606 1.00 0.00 C ATOM 424 O LEU A 32 6.593 -0.791 6.262 1.00 0.00 O ATOM 425 CB LEU A 32 6.532 2.037 6.490 1.00 0.00 C ATOM 426 CG LEU A 32 5.930 1.565 7.802 1.00 0.00 C ATOM 427 CD1 LEU A 32 4.604 0.909 7.512 1.00 0.00 C ATOM 428 CD2 LEU A 32 6.861 0.636 8.575 1.00 0.00 C ATOM 0 H LEU A 32 7.782 1.693 3.885 1.00 0.00 H new ATOM 0 HA LEU A 32 8.545 1.223 6.659 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.817 3.082 6.613 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.746 2.008 5.736 1.00 0.00 H new ATOM 0 HG LEU A 32 5.780 2.429 8.449 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.157 0.564 8.444 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.938 1.629 7.035 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.756 0.060 6.846 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.380 0.330 9.504 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.079 -0.245 7.971 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.790 1.159 8.803 1.00 0.00 H new ATOM 440 N GLY A 33 8.097 -0.723 4.603 1.00 0.00 N ATOM 441 CA GLY A 33 7.915 -2.127 4.217 1.00 0.00 C ATOM 442 C GLY A 33 6.482 -2.652 4.328 1.00 0.00 C ATOM 443 O GLY A 33 5.533 -1.878 4.427 1.00 0.00 O ATOM 0 H GLY A 33 8.782 -0.219 4.039 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.252 -2.251 3.188 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.561 -2.745 4.840 1.00 0.00 H new ATOM 447 N CYS A 34 6.323 -3.977 4.253 1.00 0.00 N ATOM 448 CA CYS A 34 4.990 -4.590 4.283 1.00 0.00 C ATOM 449 C CYS A 34 4.654 -5.340 5.571 1.00 0.00 C ATOM 450 O CYS A 34 5.490 -6.033 6.149 1.00 0.00 O ATOM 451 CB CYS A 34 4.835 -5.543 3.105 1.00 0.00 C ATOM 452 SG CYS A 34 3.332 -5.250 2.130 1.00 0.00 S ATOM 0 H CYS A 34 7.093 -4.641 4.172 1.00 0.00 H new ATOM 0 HA CYS A 34 4.290 -3.756 4.224 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.705 -5.449 2.455 1.00 0.00 H new ATOM 0 HB3 CYS A 34 4.824 -6.568 3.476 1.00 0.00 H new ATOM 457 N PHE A 35 3.383 -5.223 5.969 1.00 0.00 N ATOM 458 CA PHE A 35 2.851 -5.916 7.145 1.00 0.00 C ATOM 459 C PHE A 35 1.534 -6.605 6.805 1.00 0.00 C ATOM 460 O PHE A 35 0.480 -5.967 6.829 1.00 0.00 O ATOM 461 CB PHE A 35 2.607 -4.943 8.293 1.00 0.00 C ATOM 462 CG PHE A 35 3.802 -4.121 8.625 1.00 0.00 C ATOM 463 CD1 PHE A 35 4.212 -3.132 7.762 1.00 0.00 C ATOM 464 CD2 PHE A 35 4.518 -4.338 9.792 1.00 0.00 C ATOM 465 CE1 PHE A 35 5.312 -2.366 8.047 1.00 0.00 C ATOM 466 CE2 PHE A 35 5.625 -3.566 10.084 1.00 0.00 C ATOM 467 CZ PHE A 35 6.020 -2.576 9.205 1.00 0.00 C ATOM 0 H PHE A 35 2.695 -4.646 5.485 1.00 0.00 H new ATOM 0 HA PHE A 35 3.592 -6.655 7.451 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.780 -4.282 8.032 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.301 -5.503 9.177 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.661 -2.957 6.850 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.209 -5.114 10.476 1.00 0.00 H new ATOM 0 HE1 PHE A 35 5.623 -1.594 7.358 1.00 0.00 H new ATOM 0 HE2 PHE A 35 6.179 -3.735 10.995 1.00 0.00 H new ATOM 0 HZ PHE A 35 6.884 -1.968 9.428 1.00 0.00 H new ATOM 477 N VAL A 36 1.571 -7.898 6.518 1.00 0.00 N ATOM 478 CA VAL A 36 0.342 -8.615 6.214 1.00 0.00 C ATOM 479 C VAL A 36 -0.183 -9.300 7.454 1.00 0.00 C ATOM 480 O VAL A 36 0.553 -9.989 8.161 1.00 0.00 O ATOM 481 CB VAL A 36 0.511 -9.667 5.107 1.00 0.00 C ATOM 482 CG1 VAL A 36 -0.855 -10.075 4.558 1.00 0.00 C ATOM 483 CG2 VAL A 36 1.423 -9.147 4.003 1.00 0.00 C ATOM 0 H VAL A 36 2.420 -8.463 6.489 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.363 -7.865 5.855 1.00 0.00 H new ATOM 0 HB VAL A 36 0.984 -10.553 5.531 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.724 -10.821 3.774 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.459 -10.496 5.362 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.358 -9.200 4.146 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.529 -9.908 3.230 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.991 -8.246 3.568 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.403 -8.915 4.420 1.00 0.00 H new ATOM 493 N GLY A 37 -1.461 -9.098 7.715 1.00 0.00 N ATOM 494 CA GLY A 37 -2.081 -9.692 8.889 1.00 0.00 C ATOM 495 C GLY A 37 -1.245 -9.474 10.141 1.00 0.00 C ATOM 496 O GLY A 37 -1.271 -10.284 11.067 1.00 0.00 O ATOM 0 H GLY A 37 -2.086 -8.534 7.139 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.072 -9.261 9.034 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.219 -10.761 8.726 1.00 0.00 H new ATOM 500 N THR A 38 -0.491 -8.378 10.149 1.00 0.00 N ATOM 501 CA THR A 38 0.379 -8.034 11.269 1.00 0.00 C ATOM 502 C THR A 38 -0.171 -6.828 12.028 1.00 0.00 C ATOM 503 O THR A 38 -1.102 -6.169 11.568 1.00 0.00 O ATOM 504 CB THR A 38 1.783 -7.724 10.742 1.00 0.00 C ATOM 505 OG1 THR A 38 2.070 -8.505 9.597 1.00 0.00 O ATOM 506 CG2 THR A 38 2.891 -7.965 11.743 1.00 0.00 C ATOM 0 H THR A 38 -0.466 -7.706 9.382 1.00 0.00 H new ATOM 0 HA THR A 38 0.423 -8.879 11.956 1.00 0.00 H new ATOM 0 HB THR A 38 1.761 -6.659 10.512 1.00 0.00 H new ATOM 0 HG1 THR A 38 1.409 -9.224 9.518 1.00 0.00 H new ATOM 0 HG21 THR A 38 3.851 -7.721 11.289 1.00 0.00 H new ATOM 0 HG22 THR A 38 2.733 -7.336 12.619 1.00 0.00 H new ATOM 0 HG23 THR A 38 2.888 -9.013 12.044 1.00 0.00 H new ATOM 514 N ALA A 39 0.418 -6.537 13.186 1.00 0.00 N ATOM 515 CA ALA A 39 -0.011 -5.404 14.000 1.00 0.00 C ATOM 516 C ALA A 39 0.011 -4.108 13.197 1.00 0.00 C ATOM 517 O ALA A 39 -0.990 -3.409 13.104 1.00 0.00 O ATOM 518 CB ALA A 39 0.874 -5.275 15.232 1.00 0.00 C ATOM 0 H ALA A 39 1.193 -7.070 13.581 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.038 -5.587 14.317 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.543 -4.426 15.830 1.00 0.00 H new ATOM 0 HB2 ALA A 39 0.806 -6.186 15.826 1.00 0.00 H new ATOM 0 HB3 ALA A 39 1.908 -5.120 14.923 1.00 0.00 H new ATOM 524 N GLU A 40 1.162 -3.799 12.616 1.00 0.00 N ATOM 525 CA GLU A 40 1.335 -2.591 11.813 1.00 0.00 C ATOM 526 C GLU A 40 0.432 -2.576 10.571 1.00 0.00 C ATOM 527 O GLU A 40 0.602 -1.726 9.697 1.00 0.00 O ATOM 528 CB GLU A 40 2.798 -2.463 11.397 1.00 0.00 C ATOM 529 CG GLU A 40 3.550 -1.364 12.129 1.00 0.00 C ATOM 530 CD GLU A 40 3.644 -1.616 13.620 1.00 0.00 C ATOM 531 OE1 GLU A 40 2.597 -1.893 14.243 1.00 0.00 O ATOM 532 OE2 GLU A 40 4.764 -1.533 14.166 1.00 0.00 O ATOM 0 H GLU A 40 2.001 -4.375 12.686 1.00 0.00 H new ATOM 0 HA GLU A 40 1.043 -1.741 12.429 1.00 0.00 H new ATOM 0 HB2 GLU A 40 3.301 -3.414 11.573 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.846 -2.271 10.325 1.00 0.00 H new ATOM 0 HG2 GLU A 40 4.555 -1.278 11.715 1.00 0.00 H new ATOM 0 HG3 GLU A 40 3.051 -0.410 11.956 1.00 0.00 H new ATOM 539 N ALA A 41 -0.500 -3.528 10.467 1.00 0.00 N ATOM 540 CA ALA A 41 -1.374 -3.606 9.298 1.00 0.00 C ATOM 541 C ALA A 41 -2.813 -3.165 9.585 1.00 0.00 C ATOM 542 O ALA A 41 -3.457 -2.540 8.739 1.00 0.00 O ATOM 543 CB ALA A 41 -1.377 -5.030 8.773 1.00 0.00 C ATOM 0 H ALA A 41 -0.666 -4.247 11.171 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.976 -2.914 8.555 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.027 -5.095 7.901 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -0.363 -5.316 8.492 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.742 -5.703 9.549 1.00 0.00 H new ATOM 549 N LEU A 42 -3.320 -3.494 10.768 1.00 0.00 N ATOM 550 CA LEU A 42 -4.685 -3.137 11.143 1.00 0.00 C ATOM 551 C LEU A 42 -4.937 -1.627 11.057 1.00 0.00 C ATOM 552 O LEU A 42 -6.078 -1.176 11.137 1.00 0.00 O ATOM 553 CB LEU A 42 -4.999 -3.648 12.552 1.00 0.00 C ATOM 554 CG LEU A 42 -3.902 -3.424 13.594 1.00 0.00 C ATOM 555 CD1 LEU A 42 -3.136 -2.153 13.291 1.00 0.00 C ATOM 556 CD2 LEU A 42 -4.495 -3.378 14.994 1.00 0.00 C ATOM 0 H LEU A 42 -2.807 -4.007 11.485 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.352 -3.617 10.427 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.911 -3.163 12.900 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.208 -4.716 12.494 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.206 -4.261 13.549 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.359 -2.009 14.042 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.678 -2.231 12.305 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.819 -1.304 13.308 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.699 -3.218 15.721 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.214 -2.562 15.058 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.997 -4.322 15.208 1.00 0.00 H new ATOM 568 N ARG A 43 -3.864 -0.858 10.903 1.00 0.00 N ATOM 569 CA ARG A 43 -3.938 0.598 10.817 1.00 0.00 C ATOM 570 C ARG A 43 -4.972 1.101 9.808 1.00 0.00 C ATOM 571 O ARG A 43 -5.295 2.284 9.794 1.00 0.00 O ATOM 572 CB ARG A 43 -2.575 1.136 10.433 1.00 0.00 C ATOM 573 CG ARG A 43 -2.041 2.187 11.389 1.00 0.00 C ATOM 574 CD ARG A 43 -1.949 1.644 12.808 1.00 0.00 C ATOM 575 NE ARG A 43 -0.763 2.134 13.507 1.00 0.00 N ATOM 576 CZ ARG A 43 -0.244 1.550 14.586 1.00 0.00 C ATOM 577 NH1 ARG A 43 -0.798 0.454 15.089 1.00 0.00 N ATOM 578 NH2 ARG A 43 0.834 2.064 15.163 1.00 0.00 N ATOM 0 H ARG A 43 -2.916 -1.227 10.834 1.00 0.00 H new ATOM 0 HA ARG A 43 -4.253 0.957 11.797 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.868 0.308 10.386 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.632 1.564 9.432 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -1.056 2.516 11.058 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -2.692 3.061 11.373 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.842 1.931 13.364 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.928 0.555 12.778 1.00 0.00 H new ATOM 0 HE ARG A 43 -0.306 2.972 13.148 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -1.627 0.053 14.649 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -0.395 0.012 15.915 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.265 2.906 14.781 1.00 0.00 H new ATOM 0 HH22 ARG A 43 1.232 1.618 15.989 1.00 0.00 H new ATOM 592 N CYS A 44 -5.467 0.226 8.952 1.00 0.00 N ATOM 593 CA CYS A 44 -6.428 0.616 7.938 1.00 0.00 C ATOM 594 C CYS A 44 -7.772 0.980 8.536 1.00 0.00 C ATOM 595 O CYS A 44 -8.652 1.463 7.830 1.00 0.00 O ATOM 596 CB CYS A 44 -6.592 -0.503 6.910 1.00 0.00 C ATOM 597 SG CYS A 44 -7.494 -0.017 5.405 1.00 0.00 S ATOM 0 H CYS A 44 -5.218 -0.763 8.939 1.00 0.00 H new ATOM 0 HA CYS A 44 -6.040 1.507 7.445 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -5.604 -0.866 6.626 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -7.115 -1.337 7.379 1.00 0.00 H new ATOM 804 N LYS A 59 1.138 4.343 -8.378 1.00 0.00 N ATOM 805 CA LYS A 59 2.163 4.019 -9.361 1.00 0.00 C ATOM 806 C LYS A 59 2.292 2.506 -9.579 1.00 0.00 C ATOM 807 O LYS A 59 2.876 1.797 -8.759 1.00 0.00 O ATOM 808 CB LYS A 59 3.492 4.628 -8.902 1.00 0.00 C ATOM 809 CG LYS A 59 3.644 4.701 -7.391 1.00 0.00 C ATOM 810 CD LYS A 59 3.087 6.023 -6.858 1.00 0.00 C ATOM 811 CE LYS A 59 2.394 5.893 -5.496 1.00 0.00 C ATOM 812 NZ LYS A 59 2.038 4.487 -5.142 1.00 0.00 N ATOM 0 HA LYS A 59 1.876 4.443 -10.324 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.312 4.039 -9.312 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.583 5.632 -9.316 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.120 3.866 -6.926 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.696 4.608 -7.121 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.901 6.743 -6.775 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.377 6.426 -7.580 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.048 6.299 -4.724 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.488 6.499 -5.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.456 4.483 -4.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.503 4.057 -5.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.907 3.940 -4.976 1.00 0.00 H new ATOM 826 N PRO A 60 1.690 1.989 -10.673 1.00 0.00 N ATOM 827 CA PRO A 60 1.683 0.566 -10.984 1.00 0.00 C ATOM 828 C PRO A 60 3.053 -0.066 -11.213 1.00 0.00 C ATOM 829 O PRO A 60 4.087 0.602 -11.190 1.00 0.00 O ATOM 830 CB PRO A 60 0.870 0.456 -12.277 1.00 0.00 C ATOM 831 CG PRO A 60 0.104 1.720 -12.373 1.00 0.00 C ATOM 832 CD PRO A 60 0.907 2.756 -11.644 1.00 0.00 C ATOM 0 HA PRO A 60 1.276 0.028 -10.128 1.00 0.00 H new ATOM 0 HB2 PRO A 60 1.522 0.326 -13.141 1.00 0.00 H new ATOM 0 HB3 PRO A 60 0.203 -0.406 -12.249 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -0.045 2.006 -13.414 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -0.885 1.610 -11.928 1.00 0.00 H new ATOM 0 HD2 PRO A 60 1.552 3.312 -12.325 1.00 0.00 H new ATOM 0 HD3 PRO A 60 0.263 3.484 -11.150 1.00 0.00 H new ATOM 840 N CYS A 61 3.014 -1.373 -11.487 1.00 0.00 N ATOM 841 CA CYS A 61 4.198 -2.161 -11.782 1.00 0.00 C ATOM 842 C CYS A 61 3.801 -3.512 -12.364 1.00 0.00 C ATOM 843 O CYS A 61 2.700 -4.019 -12.116 1.00 0.00 O ATOM 844 CB CYS A 61 5.078 -2.371 -10.552 1.00 0.00 C ATOM 845 SG CYS A 61 4.220 -2.175 -8.960 1.00 0.00 S ATOM 0 H CYS A 61 2.148 -1.912 -11.509 1.00 0.00 H new ATOM 0 HA CYS A 61 4.780 -1.599 -12.513 1.00 0.00 H new ATOM 0 HB2 CYS A 61 5.508 -3.372 -10.597 1.00 0.00 H new ATOM 0 HB3 CYS A 61 5.908 -1.665 -10.591 1.00 0.00 H new ATOM 850 N GLY A 62 4.712 -4.084 -13.141 1.00 0.00 N ATOM 851 CA GLY A 62 4.471 -5.363 -13.776 1.00 0.00 C ATOM 852 C GLY A 62 4.345 -6.525 -12.805 1.00 0.00 C ATOM 853 O GLY A 62 4.151 -7.665 -13.228 1.00 0.00 O ATOM 0 H GLY A 62 5.625 -3.677 -13.344 1.00 0.00 H new ATOM 0 HA2 GLY A 62 3.557 -5.297 -14.367 1.00 0.00 H new ATOM 0 HA3 GLY A 62 5.285 -5.571 -14.470 1.00 0.00 H new ATOM 857 N SER A 63 4.466 -6.257 -11.509 1.00 0.00 N ATOM 858 CA SER A 63 4.369 -7.303 -10.519 1.00 0.00 C ATOM 859 C SER A 63 2.937 -7.459 -10.013 1.00 0.00 C ATOM 860 O SER A 63 2.688 -7.482 -8.807 1.00 0.00 O ATOM 861 CB SER A 63 5.319 -7.025 -9.356 1.00 0.00 C ATOM 862 OG SER A 63 5.623 -8.213 -8.644 1.00 0.00 O ATOM 0 H SER A 63 4.631 -5.325 -11.129 1.00 0.00 H new ATOM 0 HA SER A 63 4.659 -8.241 -10.993 1.00 0.00 H new ATOM 0 HB2 SER A 63 6.239 -6.579 -9.734 1.00 0.00 H new ATOM 0 HB3 SER A 63 4.867 -6.299 -8.680 1.00 0.00 H new ATOM 0 HG SER A 63 6.557 -8.462 -8.806 1.00 0.00 H new ATOM 868 N GLY A 64 2.002 -7.578 -10.950 1.00 0.00 N ATOM 869 CA GLY A 64 0.604 -7.752 -10.603 1.00 0.00 C ATOM 870 C GLY A 64 0.078 -6.724 -9.627 1.00 0.00 C ATOM 871 O GLY A 64 -0.697 -7.050 -8.729 1.00 0.00 O ATOM 0 H GLY A 64 2.191 -7.557 -11.952 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.007 -7.711 -11.514 1.00 0.00 H new ATOM 0 HA3 GLY A 64 0.468 -8.746 -10.176 1.00 0.00 H new ATOM 875 N GLY A 65 0.476 -5.484 -9.819 1.00 0.00 N ATOM 876 CA GLY A 65 0.010 -4.419 -8.962 1.00 0.00 C ATOM 877 C GLY A 65 0.793 -3.134 -9.043 1.00 0.00 C ATOM 878 O GLY A 65 1.481 -2.868 -10.029 1.00 0.00 O ATOM 0 H GLY A 65 1.117 -5.192 -10.557 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.030 -4.207 -9.208 1.00 0.00 H new ATOM 0 HA3 GLY A 65 0.028 -4.771 -7.931 1.00 0.00 H new ATOM 882 N ARG A 66 0.665 -2.320 -7.998 1.00 0.00 N ATOM 883 CA ARG A 66 1.342 -1.046 -7.939 1.00 0.00 C ATOM 884 C ARG A 66 2.372 -1.025 -6.821 1.00 0.00 C ATOM 885 O ARG A 66 2.265 -1.773 -5.854 1.00 0.00 O ATOM 886 CB ARG A 66 0.362 0.114 -7.742 1.00 0.00 C ATOM 887 CG ARG A 66 -1.055 -0.156 -8.246 1.00 0.00 C ATOM 888 CD ARG A 66 -1.056 -0.702 -9.664 1.00 0.00 C ATOM 889 NE ARG A 66 -2.388 -0.713 -10.265 1.00 0.00 N ATOM 890 CZ ARG A 66 -2.909 -1.764 -10.901 1.00 0.00 C ATOM 891 NH1 ARG A 66 -2.233 -2.904 -10.989 1.00 0.00 N ATOM 892 NH2 ARG A 66 -4.110 -1.676 -11.454 1.00 0.00 N ATOM 0 H ARG A 66 0.093 -2.530 -7.180 1.00 0.00 H new ATOM 0 HA ARG A 66 1.844 -0.917 -8.898 1.00 0.00 H new ATOM 0 HB2 ARG A 66 0.316 0.356 -6.680 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.754 0.994 -8.253 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -1.547 -0.867 -7.583 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -1.635 0.766 -8.211 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.389 -0.100 -10.281 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.656 -1.716 -9.658 1.00 0.00 H new ATOM 0 HE ARG A 66 -2.953 0.133 -10.194 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -1.307 -2.982 -10.568 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -2.640 -3.702 -11.477 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -4.637 -0.805 -11.394 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -4.508 -2.480 -11.940 1.00 0.00 H new ATOM 906 N CYS A 67 3.366 -0.157 -6.963 1.00 0.00 N ATOM 907 CA CYS A 67 4.417 -0.028 -5.965 1.00 0.00 C ATOM 908 C CYS A 67 3.835 0.392 -4.633 1.00 0.00 C ATOM 909 O CYS A 67 2.852 1.131 -4.575 1.00 0.00 O ATOM 910 CB CYS A 67 5.480 0.964 -6.429 1.00 0.00 C ATOM 911 SG CYS A 67 6.991 0.972 -5.406 1.00 0.00 S ATOM 0 H CYS A 67 3.465 0.469 -7.762 1.00 0.00 H new ATOM 0 HA CYS A 67 4.893 -1.000 -5.838 1.00 0.00 H new ATOM 0 HB2 CYS A 67 5.753 0.732 -7.459 1.00 0.00 H new ATOM 0 HB3 CYS A 67 5.050 1.966 -6.431 1.00 0.00 H new ATOM 916 N ALA A 68 4.423 -0.115 -3.566 1.00 0.00 N ATOM 917 CA ALA A 68 3.937 0.172 -2.236 1.00 0.00 C ATOM 918 C ALA A 68 5.080 0.400 -1.235 1.00 0.00 C ATOM 919 O ALA A 68 5.615 1.504 -1.132 1.00 0.00 O ATOM 920 CB ALA A 68 3.023 -0.978 -1.818 1.00 0.00 C ATOM 0 H ALA A 68 5.238 -0.728 -3.598 1.00 0.00 H new ATOM 0 HA ALA A 68 3.376 1.107 -2.241 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.639 -0.791 -0.815 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.191 -1.054 -2.518 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.587 -1.911 -1.822 1.00 0.00 H new ATOM 926 N ALA A 69 5.412 -0.643 -0.487 1.00 0.00 N ATOM 927 CA ALA A 69 6.461 -0.602 0.535 1.00 0.00 C ATOM 928 C ALA A 69 7.863 -0.645 -0.044 1.00 0.00 C ATOM 929 O ALA A 69 8.033 -0.524 -1.255 1.00 0.00 O ATOM 930 CB ALA A 69 6.282 -1.715 1.532 1.00 0.00 C ATOM 0 H ALA A 69 4.959 -1.553 -0.570 1.00 0.00 H new ATOM 0 HA ALA A 69 6.354 0.359 1.038 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.073 -1.664 2.281 1.00 0.00 H new ATOM 0 HB2 ALA A 69 5.313 -1.614 2.020 1.00 0.00 H new ATOM 0 HB3 ALA A 69 6.331 -2.675 1.018 1.00 0.00 H new ATOM 936 N ALA A 70 8.879 -0.817 0.835 1.00 0.00 N ATOM 937 CA ALA A 70 10.267 -0.880 0.371 1.00 0.00 C ATOM 938 C ALA A 70 10.343 -1.746 -0.850 1.00 0.00 C ATOM 939 O ALA A 70 10.478 -2.959 -0.732 1.00 0.00 O ATOM 940 CB ALA A 70 11.199 -1.470 1.414 1.00 0.00 C ATOM 0 H ALA A 70 8.759 -0.912 1.844 1.00 0.00 H new ATOM 0 HA ALA A 70 10.580 0.143 0.161 1.00 0.00 H new ATOM 0 HB1 ALA A 70 12.215 -1.495 1.021 1.00 0.00 H new ATOM 0 HB2 ALA A 70 11.173 -0.856 2.314 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.879 -2.483 1.656 1.00 0.00 H new ATOM 946 N GLY A 71 10.187 -1.153 -2.015 1.00 0.00 N ATOM 947 CA GLY A 71 10.192 -1.947 -3.200 1.00 0.00 C ATOM 948 C GLY A 71 9.161 -3.041 -3.097 1.00 0.00 C ATOM 949 O GLY A 71 9.493 -4.212 -2.957 1.00 0.00 O ATOM 0 H GLY A 71 10.059 -0.151 -2.155 1.00 0.00 H new ATOM 0 HA2 GLY A 71 9.983 -1.321 -4.067 1.00 0.00 H new ATOM 0 HA3 GLY A 71 11.180 -2.381 -3.351 1.00 0.00 H new ATOM 953 N ILE A 72 7.909 -2.652 -3.177 1.00 0.00 N ATOM 954 CA ILE A 72 6.821 -3.588 -3.104 1.00 0.00 C ATOM 955 C ILE A 72 5.799 -3.236 -4.148 1.00 0.00 C ATOM 956 O ILE A 72 5.575 -2.072 -4.449 1.00 0.00 O ATOM 957 CB ILE A 72 6.127 -3.616 -1.717 1.00 0.00 C ATOM 958 CG1 ILE A 72 6.948 -4.401 -0.692 1.00 0.00 C ATOM 959 CG2 ILE A 72 4.722 -4.206 -1.813 1.00 0.00 C ATOM 960 CD1 ILE A 72 6.653 -5.887 -0.652 1.00 0.00 C ATOM 0 H ILE A 72 7.621 -1.680 -3.294 1.00 0.00 H new ATOM 0 HA ILE A 72 7.244 -4.578 -3.274 1.00 0.00 H new ATOM 0 HB ILE A 72 6.052 -2.582 -1.380 1.00 0.00 H new ATOM 0 HG12 ILE A 72 8.007 -4.260 -0.909 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.767 -3.981 0.297 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.262 -4.212 -0.825 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.119 -3.601 -2.491 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.781 -5.226 -2.192 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.280 -6.362 0.102 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.604 -6.043 -0.402 1.00 0.00 H new ATOM 0 HD13 ILE A 72 6.863 -6.326 -1.627 1.00 0.00 H new ATOM 972 N CYS A 73 5.186 -4.253 -4.684 1.00 0.00 N ATOM 973 CA CYS A 73 4.178 -4.102 -5.674 1.00 0.00 C ATOM 974 C CYS A 73 3.023 -4.982 -5.234 1.00 0.00 C ATOM 975 O CYS A 73 3.113 -6.212 -5.263 1.00 0.00 O ATOM 976 CB CYS A 73 4.743 -4.459 -7.055 1.00 0.00 C ATOM 977 SG CYS A 73 3.653 -4.059 -8.455 1.00 0.00 S ATOM 0 H CYS A 73 5.382 -5.223 -4.436 1.00 0.00 H new ATOM 0 HA CYS A 73 3.825 -3.075 -5.771 1.00 0.00 H new ATOM 0 HB2 CYS A 73 5.690 -3.937 -7.190 1.00 0.00 H new ATOM 0 HB3 CYS A 73 4.962 -5.527 -7.077 1.00 0.00 H new ATOM 982 N CYS A 74 1.987 -4.343 -4.700 1.00 0.00 N ATOM 983 CA CYS A 74 0.872 -5.077 -4.131 1.00 0.00 C ATOM 984 C CYS A 74 -0.265 -5.367 -5.096 1.00 0.00 C ATOM 985 O CYS A 74 -0.512 -4.637 -6.051 1.00 0.00 O ATOM 986 CB CYS A 74 0.348 -4.351 -2.900 1.00 0.00 C ATOM 987 SG CYS A 74 -0.391 -5.463 -1.664 1.00 0.00 S ATOM 0 H CYS A 74 1.900 -3.328 -4.651 1.00 0.00 H new ATOM 0 HA CYS A 74 1.272 -6.054 -3.861 1.00 0.00 H new ATOM 0 HB2 CYS A 74 1.166 -3.799 -2.438 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -0.397 -3.618 -3.209 1.00 0.00 H new ATOM 992 N SER A 75 -0.956 -6.464 -4.792 1.00 0.00 N ATOM 993 CA SER A 75 -2.084 -6.938 -5.558 1.00 0.00 C ATOM 994 C SER A 75 -3.299 -7.104 -4.646 1.00 0.00 C ATOM 995 O SER A 75 -3.220 -6.830 -3.449 1.00 0.00 O ATOM 996 CB SER A 75 -1.739 -8.270 -6.229 1.00 0.00 C ATOM 997 OG SER A 75 -0.383 -8.297 -6.638 1.00 0.00 O ATOM 0 H SER A 75 -0.735 -7.053 -3.989 1.00 0.00 H new ATOM 0 HA SER A 75 -2.322 -6.208 -6.332 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.930 -9.090 -5.537 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.386 -8.424 -7.092 1.00 0.00 H new ATOM 0 HG SER A 75 -0.325 -8.082 -7.592 1.00 0.00 H new ATOM 1003 N PRO A 76 -4.442 -7.551 -5.192 1.00 0.00 N ATOM 1004 CA PRO A 76 -5.666 -7.739 -4.407 1.00 0.00 C ATOM 1005 C PRO A 76 -5.567 -8.938 -3.467 1.00 0.00 C ATOM 1006 O PRO A 76 -6.428 -9.138 -2.609 1.00 0.00 O ATOM 1007 CB PRO A 76 -6.742 -8.013 -5.468 1.00 0.00 C ATOM 1008 CG PRO A 76 -6.119 -7.656 -6.777 1.00 0.00 C ATOM 1009 CD PRO A 76 -4.649 -7.890 -6.605 1.00 0.00 C ATOM 0 HA PRO A 76 -5.872 -6.875 -3.775 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -7.049 -9.059 -5.453 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -7.635 -7.416 -5.283 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -6.521 -8.270 -7.582 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -6.322 -6.617 -7.037 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -4.374 -8.922 -6.820 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -4.056 -7.258 -7.266 1.00 0.00 H new ATOM 1017 N ASP A 77 -4.514 -9.733 -3.632 1.00 0.00 N ATOM 1018 CA ASP A 77 -4.305 -10.912 -2.794 1.00 0.00 C ATOM 1019 C ASP A 77 -3.205 -10.664 -1.764 1.00 0.00 C ATOM 1020 O ASP A 77 -3.254 -11.189 -0.651 1.00 0.00 O ATOM 1021 CB ASP A 77 -3.937 -12.117 -3.662 1.00 0.00 C ATOM 1022 CG ASP A 77 -4.936 -13.250 -3.535 1.00 0.00 C ATOM 1023 OD1 ASP A 77 -5.291 -13.602 -2.391 1.00 0.00 O ATOM 1024 OD2 ASP A 77 -5.365 -13.784 -4.580 1.00 0.00 O ATOM 0 H ASP A 77 -3.792 -9.584 -4.337 1.00 0.00 H new ATOM 0 HA ASP A 77 -5.235 -11.118 -2.264 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -3.877 -11.805 -4.705 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -2.947 -12.476 -3.379 1.00 0.00 H new ATOM 1029 N GLY A 78 -2.216 -9.863 -2.143 1.00 0.00 N ATOM 1030 CA GLY A 78 -1.124 -9.559 -1.251 1.00 0.00 C ATOM 1031 C GLY A 78 -0.002 -8.810 -1.940 1.00 0.00 C ATOM 1032 O GLY A 78 0.005 -8.680 -3.165 1.00 0.00 O ATOM 0 H GLY A 78 -2.155 -9.418 -3.059 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.496 -8.963 -0.417 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.733 -10.486 -0.831 1.00 0.00 H new ATOM 1036 N CYS A 79 0.948 -8.308 -1.158 1.00 0.00 N ATOM 1037 CA CYS A 79 2.065 -7.581 -1.720 1.00 0.00 C ATOM 1038 C CYS A 79 3.291 -8.472 -1.847 1.00 0.00 C ATOM 1039 O CYS A 79 3.367 -9.539 -1.239 1.00 0.00 O ATOM 1040 CB CYS A 79 2.409 -6.355 -0.873 1.00 0.00 C ATOM 1041 SG CYS A 79 0.973 -5.478 -0.165 1.00 0.00 S ATOM 0 H CYS A 79 0.962 -8.394 -0.142 1.00 0.00 H new ATOM 0 HA CYS A 79 1.765 -7.249 -2.714 1.00 0.00 H new ATOM 0 HB2 CYS A 79 3.063 -6.667 -0.059 1.00 0.00 H new ATOM 0 HB3 CYS A 79 2.976 -5.655 -1.487 1.00 0.00 H new ATOM 1046 N GLU A 80 4.256 -8.012 -2.633 1.00 0.00 N ATOM 1047 CA GLU A 80 5.487 -8.741 -2.840 1.00 0.00 C ATOM 1048 C GLU A 80 6.615 -7.775 -3.176 1.00 0.00 C ATOM 1049 O GLU A 80 6.399 -6.788 -3.879 1.00 0.00 O ATOM 1050 CB GLU A 80 5.313 -9.777 -3.950 1.00 0.00 C ATOM 1051 CG GLU A 80 5.089 -9.169 -5.325 1.00 0.00 C ATOM 1052 CD GLU A 80 6.274 -9.364 -6.249 1.00 0.00 C ATOM 1053 OE1 GLU A 80 6.319 -10.401 -6.944 1.00 0.00 O ATOM 1054 OE2 GLU A 80 7.157 -8.482 -6.277 1.00 0.00 O ATOM 0 H GLU A 80 4.202 -7.128 -3.139 1.00 0.00 H new ATOM 0 HA GLU A 80 5.744 -9.268 -1.921 1.00 0.00 H new ATOM 0 HB2 GLU A 80 6.198 -10.412 -3.983 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.468 -10.420 -3.705 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.204 -9.617 -5.776 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.888 -8.103 -5.218 1.00 0.00 H new ATOM 1061 N GLU A 81 7.816 -8.043 -2.663 1.00 0.00 N ATOM 1062 CA GLU A 81 8.944 -7.175 -2.909 1.00 0.00 C ATOM 1063 C GLU A 81 9.203 -7.067 -4.398 1.00 0.00 C ATOM 1064 O GLU A 81 9.598 -8.037 -5.041 1.00 0.00 O ATOM 1065 CB GLU A 81 10.176 -7.686 -2.163 1.00 0.00 C ATOM 1066 CG GLU A 81 10.300 -9.191 -2.130 1.00 0.00 C ATOM 1067 CD GLU A 81 11.733 -9.667 -2.230 1.00 0.00 C ATOM 1068 OE1 GLU A 81 12.627 -8.977 -1.694 1.00 0.00 O ATOM 1069 OE2 GLU A 81 11.965 -10.727 -2.848 1.00 0.00 O ATOM 0 H GLU A 81 8.022 -8.853 -2.078 1.00 0.00 H new ATOM 0 HA GLU A 81 8.717 -6.177 -2.534 1.00 0.00 H new ATOM 0 HB2 GLU A 81 11.068 -7.269 -2.630 1.00 0.00 H new ATOM 0 HB3 GLU A 81 10.148 -7.312 -1.139 1.00 0.00 H new ATOM 0 HG2 GLU A 81 9.862 -9.566 -1.205 1.00 0.00 H new ATOM 0 HG3 GLU A 81 9.723 -9.616 -2.952 1.00 0.00 H new ATOM 1076 N ASP A 82 8.949 -5.883 -4.941 1.00 0.00 N ATOM 1077 CA ASP A 82 9.113 -5.648 -6.353 1.00 0.00 C ATOM 1078 C ASP A 82 10.514 -5.116 -6.680 1.00 0.00 C ATOM 1079 O ASP A 82 10.872 -3.989 -6.342 1.00 0.00 O ATOM 1080 CB ASP A 82 8.020 -4.693 -6.854 1.00 0.00 C ATOM 1081 CG ASP A 82 8.030 -3.367 -6.144 1.00 0.00 C ATOM 1082 OD1 ASP A 82 8.994 -3.104 -5.407 1.00 0.00 O ATOM 1083 OD2 ASP A 82 7.082 -2.578 -6.342 1.00 0.00 O ATOM 0 H ASP A 82 8.627 -5.072 -4.413 1.00 0.00 H new ATOM 0 HA ASP A 82 9.009 -6.600 -6.874 1.00 0.00 H new ATOM 0 HB2 ASP A 82 8.151 -4.528 -7.923 1.00 0.00 H new ATOM 0 HB3 ASP A 82 7.045 -5.163 -6.721 1.00 0.00 H new ATOM 1088 N PRO A 83 11.323 -5.957 -7.350 1.00 0.00 N ATOM 1089 CA PRO A 83 12.681 -5.631 -7.763 1.00 0.00 C ATOM 1090 C PRO A 83 12.676 -4.403 -8.632 1.00 0.00 C ATOM 1091 O PRO A 83 13.698 -3.776 -8.891 1.00 0.00 O ATOM 1092 CB PRO A 83 13.119 -6.870 -8.550 1.00 0.00 C ATOM 1093 CG PRO A 83 12.255 -7.957 -8.031 1.00 0.00 C ATOM 1094 CD PRO A 83 10.946 -7.293 -7.751 1.00 0.00 C ATOM 0 HA PRO A 83 13.350 -5.408 -6.932 1.00 0.00 H new ATOM 0 HB2 PRO A 83 12.981 -6.730 -9.622 1.00 0.00 H new ATOM 0 HB3 PRO A 83 14.175 -7.090 -8.390 1.00 0.00 H new ATOM 0 HG2 PRO A 83 12.145 -8.759 -8.761 1.00 0.00 H new ATOM 0 HG3 PRO A 83 12.675 -8.402 -7.129 1.00 0.00 H new ATOM 0 HD2 PRO A 83 10.305 -7.281 -8.633 1.00 0.00 H new ATOM 0 HD3 PRO A 83 10.395 -7.808 -6.964 1.00 0.00 H new ATOM 1102 N ALA A 84 11.490 -4.060 -9.047 1.00 0.00 N ATOM 1103 CA ALA A 84 11.257 -2.909 -9.836 1.00 0.00 C ATOM 1104 C ALA A 84 11.313 -1.655 -8.980 1.00 0.00 C ATOM 1105 O ALA A 84 11.605 -0.564 -9.470 1.00 0.00 O ATOM 1106 CB ALA A 84 9.895 -3.061 -10.467 1.00 0.00 C ATOM 0 H ALA A 84 10.646 -4.593 -8.835 1.00 0.00 H new ATOM 0 HA ALA A 84 12.024 -2.812 -10.605 1.00 0.00 H new ATOM 0 HB1 ALA A 84 9.681 -2.189 -11.085 1.00 0.00 H new ATOM 0 HB2 ALA A 84 9.879 -3.957 -11.087 1.00 0.00 H new ATOM 0 HB3 ALA A 84 9.140 -3.147 -9.686 1.00 0.00 H new ATOM 1112 N CYS A 85 10.942 -1.808 -7.709 1.00 0.00 N ATOM 1113 CA CYS A 85 10.867 -0.673 -6.812 1.00 0.00 C ATOM 1114 C CYS A 85 11.937 -0.558 -5.693 1.00 0.00 C ATOM 1115 O CYS A 85 12.177 0.574 -5.270 1.00 0.00 O ATOM 1116 CB CYS A 85 9.462 -0.572 -6.217 1.00 0.00 C ATOM 1117 SG CYS A 85 8.513 0.888 -6.749 1.00 0.00 S ATOM 0 H CYS A 85 10.692 -2.702 -7.287 1.00 0.00 H new ATOM 0 HA CYS A 85 11.101 0.174 -7.458 1.00 0.00 H new ATOM 0 HB2 CYS A 85 8.903 -1.469 -6.485 1.00 0.00 H new ATOM 0 HB3 CYS A 85 9.543 -0.560 -5.130 1.00 0.00 H new ATOM 1122 N ASP A 86 12.579 -1.639 -5.152 1.00 0.00 N ATOM 1123 CA ASP A 86 13.555 -1.354 -4.043 1.00 0.00 C ATOM 1124 C ASP A 86 14.280 -2.489 -3.261 1.00 0.00 C ATOM 1125 O ASP A 86 15.331 -2.212 -2.683 1.00 0.00 O ATOM 1126 CB ASP A 86 12.813 -0.605 -2.945 1.00 0.00 C ATOM 1127 CG ASP A 86 13.724 0.239 -2.073 1.00 0.00 C ATOM 1128 OD1 ASP A 86 14.565 -0.342 -1.355 1.00 0.00 O ATOM 1129 OD2 ASP A 86 13.590 1.481 -2.098 1.00 0.00 O ATOM 0 H ASP A 86 12.462 -2.615 -5.424 1.00 0.00 H new ATOM 0 HA ASP A 86 14.340 -0.855 -4.612 1.00 0.00 H new ATOM 0 HB2 ASP A 86 12.059 0.038 -3.399 1.00 0.00 H new ATOM 0 HB3 ASP A 86 12.285 -1.323 -2.318 1.00 0.00 H new ATOM 1134 N PRO A 87 13.728 -3.697 -3.068 1.00 0.00 N ATOM 1135 CA PRO A 87 14.332 -4.707 -2.195 1.00 0.00 C ATOM 1136 C PRO A 87 15.004 -5.795 -2.969 1.00 0.00 C ATOM 1137 O PRO A 87 16.229 -5.881 -3.056 1.00 0.00 O ATOM 1138 CB PRO A 87 13.089 -5.249 -1.466 1.00 0.00 C ATOM 1139 CG PRO A 87 11.921 -4.659 -2.202 1.00 0.00 C ATOM 1140 CD PRO A 87 12.459 -4.197 -3.524 1.00 0.00 C ATOM 0 HA PRO A 87 15.113 -4.311 -1.546 1.00 0.00 H new ATOM 0 HB2 PRO A 87 13.061 -6.338 -1.489 1.00 0.00 H new ATOM 0 HB3 PRO A 87 13.086 -4.952 -0.417 1.00 0.00 H new ATOM 0 HG2 PRO A 87 11.132 -5.398 -2.338 1.00 0.00 H new ATOM 0 HG3 PRO A 87 11.487 -3.828 -1.645 1.00 0.00 H new ATOM 0 HD2 PRO A 87 12.557 -5.006 -4.248 1.00 0.00 H new ATOM 0 HD3 PRO A 87 11.842 -3.427 -3.988 1.00 0.00 H new ATOM 1148 N GLU A 88 14.161 -6.572 -3.596 1.00 0.00 N ATOM 1149 CA GLU A 88 14.597 -7.619 -4.470 1.00 0.00 C ATOM 1150 C GLU A 88 15.172 -6.914 -5.695 1.00 0.00 C ATOM 1151 O GLU A 88 15.778 -7.509 -6.587 1.00 0.00 O ATOM 1152 CB GLU A 88 13.393 -8.491 -4.844 1.00 0.00 C ATOM 1153 CG GLU A 88 13.755 -9.880 -5.336 1.00 0.00 C ATOM 1154 CD GLU A 88 12.564 -10.612 -5.926 1.00 0.00 C ATOM 1155 OE1 GLU A 88 11.433 -10.396 -5.439 1.00 0.00 O ATOM 1156 OE2 GLU A 88 12.760 -11.399 -6.875 1.00 0.00 O ATOM 0 H GLU A 88 13.148 -6.493 -3.512 1.00 0.00 H new ATOM 0 HA GLU A 88 15.342 -8.271 -4.014 1.00 0.00 H new ATOM 0 HB2 GLU A 88 12.743 -8.585 -3.974 1.00 0.00 H new ATOM 0 HB3 GLU A 88 12.818 -7.983 -5.618 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.540 -9.803 -6.088 1.00 0.00 H new ATOM 0 HG3 GLU A 88 14.162 -10.461 -4.509 1.00 0.00 H new ATOM 1163 N ALA A 89 14.936 -5.603 -5.670 1.00 0.00 N ATOM 1164 CA ALA A 89 15.341 -4.648 -6.665 1.00 0.00 C ATOM 1165 C ALA A 89 16.822 -4.311 -6.588 1.00 0.00 C ATOM 1166 O ALA A 89 17.629 -5.045 -6.018 1.00 0.00 O ATOM 1167 CB ALA A 89 14.539 -3.386 -6.403 1.00 0.00 C ATOM 0 H ALA A 89 14.425 -5.167 -4.902 1.00 0.00 H new ATOM 0 HA ALA A 89 15.164 -5.068 -7.655 1.00 0.00 H new ATOM 0 HB1 ALA A 89 14.810 -2.625 -7.135 1.00 0.00 H new ATOM 0 HB2 ALA A 89 13.475 -3.607 -6.486 1.00 0.00 H new ATOM 0 HB3 ALA A 89 14.756 -3.019 -5.400 1.00 0.00 H new ATOM 1173 N ALA A 90 17.133 -3.147 -7.133 1.00 0.00 N ATOM 1174 CA ALA A 90 18.460 -2.592 -7.119 1.00 0.00 C ATOM 1175 C ALA A 90 18.785 -2.198 -5.695 1.00 0.00 C ATOM 1176 O ALA A 90 17.943 -2.361 -4.811 1.00 0.00 O ATOM 1177 CB ALA A 90 18.504 -1.360 -8.003 1.00 0.00 C ATOM 0 H ALA A 90 16.450 -2.555 -7.606 1.00 0.00 H new ATOM 0 HA ALA A 90 19.181 -3.321 -7.489 1.00 0.00 H new ATOM 0 HB1 ALA A 90 19.510 -0.940 -7.992 1.00 0.00 H new ATOM 0 HB2 ALA A 90 18.237 -1.635 -9.023 1.00 0.00 H new ATOM 0 HB3 ALA A 90 17.797 -0.619 -7.630 1.00 0.00 H new ATOM 1183 N PHE A 91 19.960 -1.637 -5.460 1.00 0.00 N ATOM 1184 CA PHE A 91 20.285 -1.192 -4.116 1.00 0.00 C ATOM 1185 C PHE A 91 19.492 0.083 -3.860 1.00 0.00 C ATOM 1186 O PHE A 91 20.050 1.163 -3.667 1.00 0.00 O ATOM 1187 CB PHE A 91 21.785 -0.923 -3.982 1.00 0.00 C ATOM 1188 CG PHE A 91 22.598 -2.162 -3.742 1.00 0.00 C ATOM 1189 CD1 PHE A 91 22.558 -3.218 -4.638 1.00 0.00 C ATOM 1190 CD2 PHE A 91 23.402 -2.270 -2.619 1.00 0.00 C ATOM 1191 CE1 PHE A 91 23.303 -4.360 -4.417 1.00 0.00 C ATOM 1192 CE2 PHE A 91 24.150 -3.410 -2.393 1.00 0.00 C ATOM 1193 CZ PHE A 91 24.101 -4.456 -3.293 1.00 0.00 C ATOM 0 H PHE A 91 20.686 -1.482 -6.160 1.00 0.00 H new ATOM 0 HA PHE A 91 20.028 -1.961 -3.387 1.00 0.00 H new ATOM 0 HB2 PHE A 91 22.141 -0.435 -4.889 1.00 0.00 H new ATOM 0 HB3 PHE A 91 21.949 -0.226 -3.160 1.00 0.00 H new ATOM 0 HD1 PHE A 91 21.937 -3.147 -5.519 1.00 0.00 H new ATOM 0 HD2 PHE A 91 23.445 -1.454 -1.912 1.00 0.00 H new ATOM 0 HE1 PHE A 91 23.262 -5.177 -5.122 1.00 0.00 H new ATOM 0 HE2 PHE A 91 24.772 -3.483 -1.513 1.00 0.00 H new ATOM 0 HZ PHE A 91 24.685 -5.347 -3.119 1.00 0.00 H new ATOM 1203 N SER A 92 18.169 -0.073 -3.892 1.00 0.00 N ATOM 1204 CA SER A 92 17.240 1.025 -3.702 1.00 0.00 C ATOM 1205 C SER A 92 16.751 1.085 -2.257 1.00 0.00 C ATOM 1206 O SER A 92 17.000 0.116 -1.509 1.00 0.00 O ATOM 1207 CB SER A 92 16.061 0.865 -4.678 1.00 0.00 C ATOM 1208 OG SER A 92 14.881 1.458 -4.165 1.00 0.00 O ATOM 1209 OXT SER A 92 16.125 2.100 -1.887 1.00 0.00 O ATOM 0 H SER A 92 17.715 -0.973 -4.052 1.00 0.00 H new ATOM 0 HA SER A 92 17.751 1.965 -3.910 1.00 0.00 H new ATOM 0 HB2 SER A 92 16.314 1.323 -5.634 1.00 0.00 H new ATOM 0 HB3 SER A 92 15.885 -0.194 -4.868 1.00 0.00 H new ATOM 0 HG SER A 92 15.106 2.023 -3.397 1.00 0.00 H new