USER MOD reduce.3.24.130724 H: found=0, std=0, add=495, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 495 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 28 HIS HD1 : A 28 HIS ND1 : A 67 ZNZN :(H bumps) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 153:sc= 0 (180deg=-0.0184) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot -120:sc= -2.31! USER MOD Single : A 12 THR OG1 : rot -152:sc= 1.11 USER MOD Single : A 13 LYS NZ :NH3+ 172:sc= -3.06! (180deg=-3.28!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.14 K(o=-0.14,f=-2.3!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 144:sc= 0.827 (180deg=0.161) USER MOD Single : A 22 MET CE :methyl -111:sc= -0.47 (180deg=-3.76!) USER MOD Single : A 24 ASN : amide:sc= -2.88! C(o=-2.9!,f=-1!) USER MOD Single : A 29 THR OG1 : rot 73:sc= 0.47 USER MOD Single : A 33 SER OG : rot -150:sc= -3.22! USER MOD Single : A 45 ASN : amide:sc= -3.13! C(o=-3.1!,f=-3.3!) USER MOD Single : A 51 THR OG1 : rot 67:sc= 0.827 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= -1.1! USER MOD Single : A 57 ASN : amide:sc= -19.5! C(o=-20!,f=-29!) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.775 -7.662 -6.628 1.00 0.00 N ATOM 2 CA MET A 1 -9.401 -6.223 -6.511 1.00 0.00 C ATOM 3 C MET A 1 -9.654 -5.724 -5.085 1.00 0.00 C ATOM 4 O MET A 1 -8.741 -5.341 -4.381 1.00 0.00 O ATOM 5 CB MET A 1 -10.310 -5.497 -7.502 1.00 0.00 C ATOM 6 CG MET A 1 -9.677 -5.534 -8.895 1.00 0.00 C ATOM 7 SD MET A 1 -10.950 -5.221 -10.144 1.00 0.00 S ATOM 8 CE MET A 1 -10.924 -6.861 -10.910 1.00 0.00 C ATOM 0 H1 MET A 1 -10.041 -7.873 -7.611 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.965 -8.254 -6.354 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.579 -7.864 -6.000 1.00 0.00 H new ATOM 0 HA MET A 1 -8.346 -6.052 -6.724 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.292 -5.969 -7.524 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.460 -4.465 -7.186 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.889 -4.785 -8.968 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.212 -6.504 -9.069 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.649 -6.894 -11.723 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.928 -7.063 -11.303 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.180 -7.615 -10.165 1.00 0.00 H new ATOM 20 N ASP A 2 -10.886 -5.725 -4.656 1.00 0.00 N ATOM 21 CA ASP A 2 -11.196 -5.250 -3.276 1.00 0.00 C ATOM 22 C ASP A 2 -10.977 -6.379 -2.264 1.00 0.00 C ATOM 23 O ASP A 2 -10.421 -6.173 -1.203 1.00 0.00 O ATOM 24 CB ASP A 2 -12.671 -4.847 -3.319 1.00 0.00 C ATOM 25 CG ASP A 2 -12.905 -3.893 -4.492 1.00 0.00 C ATOM 26 OD1 ASP A 2 -11.944 -3.575 -5.173 1.00 0.00 O ATOM 27 OD2 ASP A 2 -14.042 -3.497 -4.690 1.00 0.00 O ATOM 0 H ASP A 2 -11.692 -6.034 -5.200 1.00 0.00 H new ATOM 0 HA ASP A 2 -10.555 -4.423 -2.971 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -13.298 -5.732 -3.426 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -12.955 -4.366 -2.383 1.00 0.00 H new ATOM 32 N ASP A 3 -11.408 -7.570 -2.582 1.00 0.00 N ATOM 33 CA ASP A 3 -11.218 -8.707 -1.634 1.00 0.00 C ATOM 34 C ASP A 3 -9.805 -8.664 -1.047 1.00 0.00 C ATOM 35 O ASP A 3 -9.562 -8.032 -0.039 1.00 0.00 O ATOM 36 CB ASP A 3 -11.415 -9.966 -2.481 1.00 0.00 C ATOM 37 CG ASP A 3 -10.852 -11.179 -1.737 1.00 0.00 C ATOM 38 OD1 ASP A 3 -10.704 -11.092 -0.529 1.00 0.00 O ATOM 39 OD2 ASP A 3 -10.577 -12.173 -2.389 1.00 0.00 O ATOM 0 H ASP A 3 -11.882 -7.805 -3.454 1.00 0.00 H new ATOM 0 HA ASP A 3 -11.913 -8.673 -0.795 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -12.475 -10.114 -2.689 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -10.914 -9.852 -3.442 1.00 0.00 H new ATOM 44 N GLN A 4 -8.869 -9.322 -1.674 1.00 0.00 N ATOM 45 CA GLN A 4 -7.471 -9.304 -1.156 1.00 0.00 C ATOM 46 C GLN A 4 -6.748 -8.058 -1.674 1.00 0.00 C ATOM 47 O GLN A 4 -5.625 -8.123 -2.131 1.00 0.00 O ATOM 48 CB GLN A 4 -6.823 -10.574 -1.710 1.00 0.00 C ATOM 49 CG GLN A 4 -5.338 -10.594 -1.341 1.00 0.00 C ATOM 50 CD GLN A 4 -4.842 -12.041 -1.303 1.00 0.00 C ATOM 51 OE1 GLN A 4 -4.937 -12.703 -0.288 1.00 0.00 O ATOM 52 NE2 GLN A 4 -4.311 -12.564 -2.374 1.00 0.00 N ATOM 0 H GLN A 4 -9.011 -9.871 -2.522 1.00 0.00 H new ATOM 0 HA GLN A 4 -7.428 -9.274 -0.067 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -7.321 -11.455 -1.305 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -6.940 -10.612 -2.793 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -4.764 -10.020 -2.068 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -5.187 -10.121 -0.371 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -4.231 -12.009 -3.226 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -3.976 -13.527 -2.359 1.00 0.00 H new ATOM 61 N GLY A 5 -7.391 -6.924 -1.610 1.00 0.00 N ATOM 62 CA GLY A 5 -6.751 -5.674 -2.105 1.00 0.00 C ATOM 63 C GLY A 5 -6.097 -4.932 -0.940 1.00 0.00 C ATOM 64 O GLY A 5 -5.396 -5.514 -0.137 1.00 0.00 O ATOM 0 H GLY A 5 -8.333 -6.810 -1.236 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -6.004 -5.912 -2.862 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.496 -5.037 -2.582 1.00 0.00 H new ATOM 68 N CYS A 6 -6.311 -3.645 -0.853 1.00 0.00 N ATOM 69 CA CYS A 6 -5.695 -2.854 0.249 1.00 0.00 C ATOM 70 C CYS A 6 -5.696 -3.639 1.571 1.00 0.00 C ATOM 71 O CYS A 6 -6.739 -3.901 2.137 1.00 0.00 O ATOM 72 CB CYS A 6 -6.565 -1.598 0.386 1.00 0.00 C ATOM 73 SG CYS A 6 -6.179 -0.801 1.951 1.00 0.00 S ATOM 0 H CYS A 6 -6.888 -3.108 -1.500 1.00 0.00 H new ATOM 0 HA CYS A 6 -4.654 -2.618 0.027 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -6.377 -0.915 -0.443 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -7.621 -1.863 0.347 1.00 0.00 H new ATOM 78 N PRO A 7 -4.516 -3.957 2.030 1.00 0.00 N ATOM 79 CA PRO A 7 -4.358 -4.680 3.307 1.00 0.00 C ATOM 80 C PRO A 7 -4.240 -3.689 4.478 1.00 0.00 C ATOM 81 O PRO A 7 -4.442 -4.044 5.623 1.00 0.00 O ATOM 82 CB PRO A 7 -3.045 -5.429 3.116 1.00 0.00 C ATOM 83 CG PRO A 7 -2.270 -4.638 2.099 1.00 0.00 C ATOM 84 CD PRO A 7 -3.224 -3.694 1.402 1.00 0.00 C ATOM 0 HA PRO A 7 -5.201 -5.331 3.540 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -2.496 -5.503 4.055 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -3.222 -6.447 2.769 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -1.469 -4.079 2.583 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -1.801 -5.306 1.376 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -2.922 -2.655 1.533 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -3.258 -3.883 0.329 1.00 0.00 H new ATOM 92 N ARG A 8 -3.897 -2.454 4.202 1.00 0.00 N ATOM 93 CA ARG A 8 -3.745 -1.450 5.303 1.00 0.00 C ATOM 94 C ARG A 8 -5.017 -0.607 5.465 1.00 0.00 C ATOM 95 O ARG A 8 -5.714 -0.710 6.456 1.00 0.00 O ATOM 96 CB ARG A 8 -2.567 -0.573 4.870 1.00 0.00 C ATOM 97 CG ARG A 8 -1.747 -0.158 6.090 1.00 0.00 C ATOM 98 CD ARG A 8 -0.257 -0.298 5.765 1.00 0.00 C ATOM 99 NE ARG A 8 0.427 -0.319 7.088 1.00 0.00 N ATOM 100 CZ ARG A 8 0.204 0.631 7.954 1.00 0.00 C ATOM 101 NH1 ARG A 8 0.749 1.807 7.789 1.00 0.00 N ATOM 102 NH2 ARG A 8 -0.564 0.408 8.986 1.00 0.00 N ATOM 0 H ARG A 8 -3.716 -2.098 3.264 1.00 0.00 H new ATOM 0 HA ARG A 8 -3.575 -1.928 6.268 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -1.937 -1.118 4.167 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -2.934 0.312 4.350 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -1.977 0.872 6.365 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -2.005 -0.781 6.946 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -0.060 -1.212 5.204 1.00 0.00 H new ATOM 0 HD3 ARG A 8 0.093 0.533 5.153 1.00 0.00 H new ATOM 0 HE ARG A 8 1.070 -1.077 7.317 1.00 0.00 H new ATOM 0 HH11 ARG A 8 1.349 1.983 6.983 1.00 0.00 H new ATOM 0 HH12 ARG A 8 0.574 2.550 8.466 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -0.990 -0.510 9.116 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -0.738 1.151 9.663 1.00 0.00 H new ATOM 116 N CYS A 9 -5.334 0.219 4.503 1.00 0.00 N ATOM 117 CA CYS A 9 -6.581 1.056 4.631 1.00 0.00 C ATOM 118 C CYS A 9 -7.762 0.358 3.953 1.00 0.00 C ATOM 119 O CYS A 9 -8.504 0.976 3.225 1.00 0.00 O ATOM 120 CB CYS A 9 -6.337 2.429 3.949 1.00 0.00 C ATOM 121 SG CYS A 9 -4.772 2.534 3.011 1.00 0.00 S ATOM 0 H CYS A 9 -4.799 0.355 3.645 1.00 0.00 H new ATOM 0 HA CYS A 9 -6.813 1.195 5.687 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -7.167 2.639 3.274 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -6.343 3.207 4.712 1.00 0.00 H new ATOM 126 N LYS A 10 -7.899 -0.934 4.148 1.00 0.00 N ATOM 127 CA LYS A 10 -8.994 -1.714 3.476 1.00 0.00 C ATOM 128 C LYS A 10 -10.208 -0.834 3.139 1.00 0.00 C ATOM 129 O LYS A 10 -11.146 -0.719 3.900 1.00 0.00 O ATOM 130 CB LYS A 10 -9.368 -2.822 4.470 1.00 0.00 C ATOM 131 CG LYS A 10 -10.206 -2.248 5.612 1.00 0.00 C ATOM 132 CD LYS A 10 -9.984 -3.080 6.876 1.00 0.00 C ATOM 133 CE LYS A 10 -10.357 -2.252 8.107 1.00 0.00 C ATOM 134 NZ LYS A 10 -10.679 -3.255 9.160 1.00 0.00 N ATOM 0 H LYS A 10 -7.292 -1.489 4.751 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.661 -2.118 2.520 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -9.926 -3.606 3.958 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.464 -3.283 4.869 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -9.929 -1.210 5.794 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -11.262 -2.254 5.341 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -10.588 -3.986 6.838 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.942 -3.394 6.939 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -9.533 -1.607 8.414 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -11.210 -1.604 7.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -10.945 -2.764 10.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -11.471 -3.850 8.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.846 -3.853 9.337 1.00 0.00 H new ATOM 148 N THR A 11 -10.198 -0.199 1.996 1.00 0.00 N ATOM 149 CA THR A 11 -11.353 0.668 1.641 1.00 0.00 C ATOM 150 C THR A 11 -11.202 1.232 0.223 1.00 0.00 C ATOM 151 O THR A 11 -12.149 1.333 -0.524 1.00 0.00 O ATOM 152 CB THR A 11 -11.304 1.795 2.684 1.00 0.00 C ATOM 153 OG1 THR A 11 -12.597 2.356 2.837 1.00 0.00 O ATOM 154 CG2 THR A 11 -10.319 2.887 2.241 1.00 0.00 C ATOM 0 H THR A 11 -9.450 -0.243 1.304 1.00 0.00 H new ATOM 0 HA THR A 11 -12.299 0.127 1.648 1.00 0.00 H new ATOM 0 HB THR A 11 -10.969 1.382 3.635 1.00 0.00 H new ATOM 0 HG1 THR A 11 -12.569 3.309 2.610 1.00 0.00 H new ATOM 0 HG21 THR A 11 -10.294 3.680 2.989 1.00 0.00 H new ATOM 0 HG22 THR A 11 -9.323 2.457 2.134 1.00 0.00 H new ATOM 0 HG23 THR A 11 -10.640 3.300 1.285 1.00 0.00 H new ATOM 162 N THR A 12 -10.019 1.622 -0.127 1.00 0.00 N ATOM 163 CA THR A 12 -9.770 2.222 -1.468 1.00 0.00 C ATOM 164 C THR A 12 -10.450 1.463 -2.610 1.00 0.00 C ATOM 165 O THR A 12 -11.621 1.644 -2.872 1.00 0.00 O ATOM 166 CB THR A 12 -8.259 2.173 -1.606 1.00 0.00 C ATOM 167 OG1 THR A 12 -7.778 0.923 -1.128 1.00 0.00 O ATOM 168 CG2 THR A 12 -7.675 3.302 -0.778 1.00 0.00 C ATOM 0 H THR A 12 -9.193 1.552 0.467 1.00 0.00 H new ATOM 0 HA THR A 12 -10.185 3.228 -1.536 1.00 0.00 H new ATOM 0 HB THR A 12 -7.967 2.283 -2.650 1.00 0.00 H new ATOM 0 HG1 THR A 12 -6.861 1.030 -0.798 1.00 0.00 H new ATOM 0 HG21 THR A 12 -6.588 3.289 -0.860 1.00 0.00 H new ATOM 0 HG22 THR A 12 -8.055 4.256 -1.144 1.00 0.00 H new ATOM 0 HG23 THR A 12 -7.961 3.174 0.266 1.00 0.00 H new ATOM 176 N LYS A 13 -9.715 0.643 -3.315 1.00 0.00 N ATOM 177 CA LYS A 13 -10.299 -0.097 -4.465 1.00 0.00 C ATOM 178 C LYS A 13 -11.732 -0.556 -4.163 1.00 0.00 C ATOM 179 O LYS A 13 -12.539 -0.711 -5.060 1.00 0.00 O ATOM 180 CB LYS A 13 -9.336 -1.261 -4.677 1.00 0.00 C ATOM 181 CG LYS A 13 -9.657 -2.397 -3.706 1.00 0.00 C ATOM 182 CD LYS A 13 -9.193 -2.011 -2.299 1.00 0.00 C ATOM 183 CE LYS A 13 -9.210 -3.251 -1.398 1.00 0.00 C ATOM 184 NZ LYS A 13 -10.572 -3.272 -0.796 1.00 0.00 N ATOM 0 H LYS A 13 -8.728 0.455 -3.139 1.00 0.00 H new ATOM 0 HA LYS A 13 -10.397 0.513 -5.363 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -9.408 -1.620 -5.704 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.310 -0.925 -4.528 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -10.728 -2.597 -3.705 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.162 -3.314 -4.025 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -8.188 -1.590 -2.338 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -9.845 -1.240 -1.888 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -9.018 -4.158 -1.971 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.440 -3.191 -0.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -10.707 -4.162 -0.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.675 -2.469 -0.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -11.286 -3.200 -1.549 1.00 0.00 H new ATOM 198 N TYR A 14 -12.075 -0.734 -2.915 1.00 0.00 N ATOM 199 CA TYR A 14 -13.469 -1.129 -2.585 1.00 0.00 C ATOM 200 C TYR A 14 -14.353 0.113 -2.725 1.00 0.00 C ATOM 201 O TYR A 14 -15.356 0.110 -3.412 1.00 0.00 O ATOM 202 CB TYR A 14 -13.415 -1.638 -1.135 1.00 0.00 C ATOM 203 CG TYR A 14 -14.690 -2.384 -0.796 1.00 0.00 C ATOM 204 CD1 TYR A 14 -15.792 -2.338 -1.662 1.00 0.00 C ATOM 205 CD2 TYR A 14 -14.765 -3.127 0.389 1.00 0.00 C ATOM 206 CE1 TYR A 14 -16.964 -3.034 -1.343 1.00 0.00 C ATOM 207 CE2 TYR A 14 -15.939 -3.823 0.708 1.00 0.00 C ATOM 208 CZ TYR A 14 -17.037 -3.775 -0.158 1.00 0.00 C ATOM 209 OH TYR A 14 -18.193 -4.462 0.156 1.00 0.00 O ATOM 0 H TYR A 14 -11.451 -0.623 -2.116 1.00 0.00 H new ATOM 0 HA TYR A 14 -13.879 -1.901 -3.236 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -12.555 -2.294 -1.004 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -13.283 -0.799 -0.452 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -15.736 -1.765 -2.576 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -13.918 -3.164 1.057 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -17.812 -2.999 -2.011 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -15.996 -4.396 1.622 1.00 0.00 H new ATOM 0 HH TYR A 14 -18.076 -4.925 1.012 1.00 0.00 H new ATOM 219 N ARG A 15 -13.953 1.188 -2.106 1.00 0.00 N ATOM 220 CA ARG A 15 -14.718 2.460 -2.218 1.00 0.00 C ATOM 221 C ARG A 15 -14.194 3.258 -3.411 1.00 0.00 C ATOM 222 O ARG A 15 -14.909 3.559 -4.346 1.00 0.00 O ATOM 223 CB ARG A 15 -14.440 3.201 -0.911 1.00 0.00 C ATOM 224 CG ARG A 15 -15.606 2.974 0.048 1.00 0.00 C ATOM 225 CD ARG A 15 -15.129 2.134 1.236 1.00 0.00 C ATOM 226 NE ARG A 15 -14.689 0.829 0.655 1.00 0.00 N ATOM 227 CZ ARG A 15 -15.300 -0.271 1.003 1.00 0.00 C ATOM 228 NH1 ARG A 15 -16.372 -0.655 0.364 1.00 0.00 N ATOM 229 NH2 ARG A 15 -14.837 -0.988 1.991 1.00 0.00 N ATOM 0 H ARG A 15 -13.119 1.240 -1.521 1.00 0.00 H new ATOM 0 HA ARG A 15 -15.786 2.303 -2.372 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -13.512 2.843 -0.466 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -14.312 4.266 -1.102 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -15.996 3.930 0.397 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -16.422 2.466 -0.467 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -14.309 2.626 1.760 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -15.930 1.990 1.961 1.00 0.00 H new ATOM 0 HE ARG A 15 -13.916 0.798 -0.010 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -16.733 -0.095 -0.408 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -16.848 -1.515 0.637 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -13.999 -0.688 2.490 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -15.313 -1.848 2.264 1.00 0.00 H new ATOM 243 N ASN A 16 -12.934 3.591 -3.376 1.00 0.00 N ATOM 244 CA ASN A 16 -12.311 4.360 -4.489 1.00 0.00 C ATOM 245 C ASN A 16 -12.188 3.478 -5.734 1.00 0.00 C ATOM 246 O ASN A 16 -11.447 2.522 -5.741 1.00 0.00 O ATOM 247 CB ASN A 16 -10.917 4.709 -3.971 1.00 0.00 C ATOM 248 CG ASN A 16 -10.811 6.207 -3.698 1.00 0.00 C ATOM 249 OD1 ASN A 16 -11.805 6.906 -3.659 1.00 0.00 O ATOM 250 ND2 ASN A 16 -9.632 6.730 -3.503 1.00 0.00 N ATOM 0 H ASN A 16 -12.300 3.359 -2.611 1.00 0.00 H new ATOM 0 HA ASN A 16 -12.895 5.238 -4.766 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -10.711 4.151 -3.058 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -10.165 4.412 -4.702 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -9.542 7.729 -3.317 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -8.801 6.140 -3.537 1.00 0.00 H new ATOM 257 N PRO A 17 -12.912 3.829 -6.753 1.00 0.00 N ATOM 258 CA PRO A 17 -12.857 3.064 -8.008 1.00 0.00 C ATOM 259 C PRO A 17 -11.793 3.660 -8.937 1.00 0.00 C ATOM 260 O PRO A 17 -11.480 3.110 -9.975 1.00 0.00 O ATOM 261 CB PRO A 17 -14.255 3.257 -8.583 1.00 0.00 C ATOM 262 CG PRO A 17 -14.760 4.551 -7.997 1.00 0.00 C ATOM 263 CD PRO A 17 -13.855 4.938 -6.844 1.00 0.00 C ATOM 0 HA PRO A 17 -12.593 2.015 -7.876 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -14.228 3.304 -9.672 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -14.907 2.425 -8.316 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -14.765 5.334 -8.755 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -15.787 4.436 -7.651 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -13.345 5.882 -7.036 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -14.417 5.062 -5.918 1.00 0.00 H new ATOM 271 N SER A 18 -11.234 4.780 -8.567 1.00 0.00 N ATOM 272 CA SER A 18 -10.189 5.412 -9.420 1.00 0.00 C ATOM 273 C SER A 18 -8.804 4.911 -9.007 1.00 0.00 C ATOM 274 O SER A 18 -7.930 4.720 -9.829 1.00 0.00 O ATOM 275 CB SER A 18 -10.316 6.911 -9.151 1.00 0.00 C ATOM 276 OG SER A 18 -10.340 7.611 -10.388 1.00 0.00 O ATOM 0 H SER A 18 -11.457 5.285 -7.709 1.00 0.00 H new ATOM 0 HA SER A 18 -10.314 5.174 -10.476 1.00 0.00 H new ATOM 0 HB2 SER A 18 -11.226 7.115 -8.587 1.00 0.00 H new ATOM 0 HB3 SER A 18 -9.480 7.255 -8.542 1.00 0.00 H new ATOM 0 HG SER A 18 -10.423 8.573 -10.218 1.00 0.00 H new ATOM 282 N LEU A 19 -8.599 4.699 -7.736 1.00 0.00 N ATOM 283 CA LEU A 19 -7.266 4.212 -7.271 1.00 0.00 C ATOM 284 C LEU A 19 -7.104 2.727 -7.589 1.00 0.00 C ATOM 285 O LEU A 19 -8.049 2.048 -7.941 1.00 0.00 O ATOM 286 CB LEU A 19 -7.233 4.483 -5.753 1.00 0.00 C ATOM 287 CG LEU A 19 -7.668 3.254 -4.925 1.00 0.00 C ATOM 288 CD1 LEU A 19 -8.932 2.627 -5.504 1.00 0.00 C ATOM 289 CD2 LEU A 19 -6.559 2.199 -4.906 1.00 0.00 C ATOM 0 H LEU A 19 -9.292 4.841 -7.001 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.441 4.719 -7.772 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.224 4.776 -5.461 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.888 5.323 -5.523 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.867 3.596 -3.910 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -9.218 1.764 -4.903 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -9.739 3.359 -5.494 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.744 2.309 -6.529 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.884 1.341 -4.318 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.343 1.880 -5.926 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.660 2.625 -4.461 1.00 0.00 H new ATOM 301 N LYS A 20 -5.914 2.216 -7.460 1.00 0.00 N ATOM 302 CA LYS A 20 -5.696 0.773 -7.745 1.00 0.00 C ATOM 303 C LYS A 20 -4.703 0.184 -6.749 1.00 0.00 C ATOM 304 O LYS A 20 -4.349 0.804 -5.765 1.00 0.00 O ATOM 305 CB LYS A 20 -5.129 0.710 -9.169 1.00 0.00 C ATOM 306 CG LYS A 20 -4.267 1.945 -9.456 1.00 0.00 C ATOM 307 CD LYS A 20 -5.161 3.097 -9.915 1.00 0.00 C ATOM 308 CE LYS A 20 -4.803 3.476 -11.353 1.00 0.00 C ATOM 309 NZ LYS A 20 -6.083 3.928 -11.964 1.00 0.00 N ATOM 0 H LYS A 20 -5.084 2.734 -7.170 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.619 0.200 -7.657 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.532 -0.194 -9.290 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.945 0.652 -9.890 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.716 2.233 -8.561 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.529 1.715 -10.224 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.209 2.805 -9.855 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.031 3.957 -9.258 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.053 4.267 -11.377 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.387 2.626 -11.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.896 4.712 -12.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.519 3.138 -12.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.730 4.250 -11.216 1.00 0.00 H new ATOM 323 N LEU A 21 -4.252 -1.011 -6.996 1.00 0.00 N ATOM 324 CA LEU A 21 -3.284 -1.646 -6.066 1.00 0.00 C ATOM 325 C LEU A 21 -1.931 -1.803 -6.755 1.00 0.00 C ATOM 326 O LEU A 21 -1.820 -2.430 -7.790 1.00 0.00 O ATOM 327 CB LEU A 21 -3.895 -3.007 -5.733 1.00 0.00 C ATOM 328 CG LEU A 21 -4.908 -2.852 -4.594 1.00 0.00 C ATOM 329 CD1 LEU A 21 -5.820 -1.652 -4.867 1.00 0.00 C ATOM 330 CD2 LEU A 21 -5.758 -4.122 -4.496 1.00 0.00 C ATOM 0 H LEU A 21 -4.513 -1.576 -7.804 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.111 -1.055 -5.167 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.384 -3.422 -6.614 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.112 -3.707 -5.443 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.374 -2.691 -3.658 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.538 -1.548 -4.053 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.218 -0.746 -4.938 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.354 -1.807 -5.804 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.480 -4.015 -3.686 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.287 -4.279 -5.436 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.113 -4.977 -4.296 1.00 0.00 H new ATOM 342 N MET A 22 -0.902 -1.237 -6.193 1.00 0.00 N ATOM 343 CA MET A 22 0.441 -1.357 -6.830 1.00 0.00 C ATOM 344 C MET A 22 1.200 -2.530 -6.217 1.00 0.00 C ATOM 345 O MET A 22 0.744 -3.157 -5.290 1.00 0.00 O ATOM 346 CB MET A 22 1.196 -0.028 -6.573 1.00 0.00 C ATOM 347 CG MET A 22 0.282 1.045 -5.964 1.00 0.00 C ATOM 348 SD MET A 22 1.163 2.626 -5.912 1.00 0.00 S ATOM 349 CE MET A 22 -0.294 3.700 -5.933 1.00 0.00 C ATOM 0 H MET A 22 -0.929 -0.700 -5.326 1.00 0.00 H new ATOM 0 HA MET A 22 0.351 -1.539 -7.901 1.00 0.00 H new ATOM 0 HB2 MET A 22 2.036 -0.212 -5.903 1.00 0.00 H new ATOM 0 HB3 MET A 22 1.612 0.340 -7.511 1.00 0.00 H new ATOM 0 HG2 MET A 22 -0.628 1.142 -6.556 1.00 0.00 H new ATOM 0 HG3 MET A 22 -0.022 0.752 -4.959 1.00 0.00 H new ATOM 0 HE1 MET A 22 -0.342 4.229 -6.885 1.00 0.00 H new ATOM 0 HE2 MET A 22 -1.193 3.096 -5.807 1.00 0.00 H new ATOM 0 HE3 MET A 22 -0.225 4.422 -5.120 1.00 0.00 H new ATOM 359 N VAL A 23 2.351 -2.835 -6.738 1.00 0.00 N ATOM 360 CA VAL A 23 3.143 -3.975 -6.193 1.00 0.00 C ATOM 361 C VAL A 23 4.572 -3.519 -5.897 1.00 0.00 C ATOM 362 O VAL A 23 5.117 -2.673 -6.573 1.00 0.00 O ATOM 363 CB VAL A 23 3.113 -5.038 -7.297 1.00 0.00 C ATOM 364 CG1 VAL A 23 4.338 -5.950 -7.190 1.00 0.00 C ATOM 365 CG2 VAL A 23 1.845 -5.882 -7.152 1.00 0.00 C ATOM 0 H VAL A 23 2.782 -2.344 -7.521 1.00 0.00 H new ATOM 0 HA VAL A 23 2.740 -4.362 -5.257 1.00 0.00 H new ATOM 0 HB VAL A 23 3.123 -4.541 -8.267 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.303 -6.700 -7.980 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.245 -5.355 -7.294 1.00 0.00 H new ATOM 0 HG13 VAL A 23 4.339 -6.446 -6.219 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.820 -6.639 -7.936 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.842 -6.369 -6.177 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.969 -5.240 -7.240 1.00 0.00 H new ATOM 375 N ASN A 24 5.181 -4.069 -4.886 1.00 0.00 N ATOM 376 CA ASN A 24 6.570 -3.655 -4.549 1.00 0.00 C ATOM 377 C ASN A 24 7.525 -4.846 -4.614 1.00 0.00 C ATOM 378 O ASN A 24 7.218 -5.927 -4.156 1.00 0.00 O ATOM 379 CB ASN A 24 6.495 -3.115 -3.120 1.00 0.00 C ATOM 380 CG ASN A 24 5.614 -4.031 -2.268 1.00 0.00 C ATOM 381 OD1 ASN A 24 6.090 -4.988 -1.691 1.00 0.00 O ATOM 382 ND2 ASN A 24 4.338 -3.776 -2.164 1.00 0.00 N ATOM 0 H ASN A 24 4.779 -4.785 -4.280 1.00 0.00 H new ATOM 0 HA ASN A 24 6.947 -2.911 -5.251 1.00 0.00 H new ATOM 0 HB2 ASN A 24 7.495 -3.054 -2.691 1.00 0.00 H new ATOM 0 HB3 ASN A 24 6.088 -2.104 -3.124 1.00 0.00 H new ATOM 0 HD21 ASN A 24 3.742 -4.380 -1.599 1.00 0.00 H new ATOM 0 HD22 ASN A 24 3.937 -2.973 -2.648 1.00 0.00 H new ATOM 389 N VAL A 25 8.688 -4.629 -5.165 1.00 0.00 N ATOM 390 CA VAL A 25 9.718 -5.707 -5.265 1.00 0.00 C ATOM 391 C VAL A 25 9.087 -7.106 -5.425 1.00 0.00 C ATOM 392 O VAL A 25 8.915 -7.583 -6.529 1.00 0.00 O ATOM 393 CB VAL A 25 10.542 -5.586 -3.968 1.00 0.00 C ATOM 394 CG1 VAL A 25 9.653 -5.159 -2.791 1.00 0.00 C ATOM 395 CG2 VAL A 25 11.200 -6.923 -3.640 1.00 0.00 C ATOM 0 H VAL A 25 8.975 -3.733 -5.558 1.00 0.00 H new ATOM 0 HA VAL A 25 10.340 -5.589 -6.153 1.00 0.00 H new ATOM 0 HB VAL A 25 11.308 -4.826 -4.125 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.258 -5.081 -1.888 1.00 0.00 H new ATOM 0 HG12 VAL A 25 9.200 -4.192 -3.009 1.00 0.00 H new ATOM 0 HG13 VAL A 25 8.869 -5.901 -2.639 1.00 0.00 H new ATOM 0 HG21 VAL A 25 11.780 -6.828 -2.722 1.00 0.00 H new ATOM 0 HG22 VAL A 25 10.431 -7.684 -3.506 1.00 0.00 H new ATOM 0 HG23 VAL A 25 11.860 -7.214 -4.457 1.00 0.00 H new ATOM 405 N CYS A 26 8.756 -7.775 -4.348 1.00 0.00 N ATOM 406 CA CYS A 26 8.160 -9.134 -4.486 1.00 0.00 C ATOM 407 C CYS A 26 6.908 -9.060 -5.352 1.00 0.00 C ATOM 408 O CYS A 26 6.691 -8.112 -6.079 1.00 0.00 O ATOM 409 CB CYS A 26 7.820 -9.692 -3.068 1.00 0.00 C ATOM 410 SG CYS A 26 8.009 -8.461 -1.750 1.00 0.00 S ATOM 0 H CYS A 26 8.872 -7.441 -3.391 1.00 0.00 H new ATOM 0 HA CYS A 26 8.871 -9.805 -4.967 1.00 0.00 H new ATOM 0 HB2 CYS A 26 6.795 -10.061 -3.067 1.00 0.00 H new ATOM 0 HB3 CYS A 26 8.466 -10.544 -2.856 1.00 0.00 H new ATOM 415 N GLY A 27 6.096 -10.062 -5.286 1.00 0.00 N ATOM 416 CA GLY A 27 4.856 -10.081 -6.112 1.00 0.00 C ATOM 417 C GLY A 27 3.645 -9.796 -5.226 1.00 0.00 C ATOM 418 O GLY A 27 2.569 -10.314 -5.444 1.00 0.00 O ATOM 0 H GLY A 27 6.232 -10.880 -4.692 1.00 0.00 H new ATOM 0 HA2 GLY A 27 4.923 -9.335 -6.904 1.00 0.00 H new ATOM 0 HA3 GLY A 27 4.745 -11.051 -6.596 1.00 0.00 H new ATOM 422 N HIS A 28 3.811 -8.975 -4.229 1.00 0.00 N ATOM 423 CA HIS A 28 2.666 -8.661 -3.334 1.00 0.00 C ATOM 424 C HIS A 28 1.888 -7.467 -3.885 1.00 0.00 C ATOM 425 O HIS A 28 1.660 -7.378 -5.074 1.00 0.00 O ATOM 426 CB HIS A 28 3.308 -8.385 -1.973 1.00 0.00 C ATOM 427 CG HIS A 28 3.686 -9.717 -1.391 1.00 0.00 C ATOM 428 ND1 HIS A 28 4.956 -10.028 -0.884 1.00 0.00 N ATOM 429 CD2 HIS A 28 2.950 -10.873 -1.292 1.00 0.00 C ATOM 430 CE1 HIS A 28 4.913 -11.330 -0.525 1.00 0.00 C ATOM 431 NE2 HIS A 28 3.724 -11.881 -0.749 1.00 0.00 N ATOM 0 H HIS A 28 4.688 -8.509 -3.996 1.00 0.00 H new ATOM 0 HA HIS A 28 1.936 -9.466 -3.256 1.00 0.00 H new ATOM 0 HB2 HIS A 28 4.186 -7.748 -2.082 1.00 0.00 H new ATOM 0 HB3 HIS A 28 2.613 -7.860 -1.317 1.00 0.00 H new ATOM 0 HD2 HIS A 28 1.918 -10.978 -1.594 1.00 0.00 H new ATOM 0 HE1 HIS A 28 5.752 -11.864 -0.103 1.00 0.00 H new ATOM 0 HE2 HIS A 28 3.443 -12.843 -0.560 1.00 0.00 H new ATOM 439 N THR A 29 1.451 -6.559 -3.060 1.00 0.00 N ATOM 440 CA THR A 29 0.673 -5.419 -3.609 1.00 0.00 C ATOM 441 C THR A 29 0.389 -4.378 -2.527 1.00 0.00 C ATOM 442 O THR A 29 0.576 -4.612 -1.350 1.00 0.00 O ATOM 443 CB THR A 29 -0.622 -6.076 -4.104 1.00 0.00 C ATOM 444 OG1 THR A 29 -0.497 -6.370 -5.489 1.00 0.00 O ATOM 445 CG2 THR A 29 -1.832 -5.148 -3.885 1.00 0.00 C ATOM 0 H THR A 29 1.595 -6.556 -2.050 1.00 0.00 H new ATOM 0 HA THR A 29 1.201 -4.882 -4.397 1.00 0.00 H new ATOM 0 HB THR A 29 -0.785 -6.993 -3.537 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.108 -7.132 -5.608 1.00 0.00 H new ATOM 0 HG21 THR A 29 -2.737 -5.638 -4.245 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.936 -4.930 -2.822 1.00 0.00 H new ATOM 0 HG23 THR A 29 -1.681 -4.218 -4.433 1.00 0.00 H new ATOM 453 N LEU A 30 -0.082 -3.232 -2.930 1.00 0.00 N ATOM 454 CA LEU A 30 -0.404 -2.173 -1.943 1.00 0.00 C ATOM 455 C LEU A 30 -1.300 -1.120 -2.581 1.00 0.00 C ATOM 456 O LEU A 30 -0.909 -0.407 -3.483 1.00 0.00 O ATOM 457 CB LEU A 30 0.942 -1.569 -1.537 1.00 0.00 C ATOM 458 CG LEU A 30 0.935 -1.063 -0.085 1.00 0.00 C ATOM 459 CD1 LEU A 30 -0.121 -1.786 0.762 1.00 0.00 C ATOM 460 CD2 LEU A 30 2.311 -1.320 0.525 1.00 0.00 C ATOM 0 H LEU A 30 -0.257 -2.985 -3.904 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.940 -2.566 -1.079 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.725 -2.318 -1.656 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.185 -0.744 -2.207 1.00 0.00 H new ATOM 0 HG LEU A 30 0.696 0.000 -0.093 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.095 -1.401 1.782 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.109 -1.616 0.335 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.091 -2.855 0.772 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.324 -0.967 1.556 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.524 -2.389 0.505 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.069 -0.788 -0.050 1.00 0.00 H new ATOM 472 N CYS A 31 -2.501 -1.026 -2.110 1.00 0.00 N ATOM 473 CA CYS A 31 -3.458 -0.036 -2.659 1.00 0.00 C ATOM 474 C CYS A 31 -2.819 1.353 -2.733 1.00 0.00 C ATOM 475 O CYS A 31 -1.737 1.574 -2.227 1.00 0.00 O ATOM 476 CB CYS A 31 -4.620 -0.094 -1.663 1.00 0.00 C ATOM 477 SG CYS A 31 -4.710 1.394 -0.625 1.00 0.00 S ATOM 0 H CYS A 31 -2.869 -1.603 -1.354 1.00 0.00 H new ATOM 0 HA CYS A 31 -3.777 -0.248 -3.679 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -5.557 -0.212 -2.207 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -4.508 -0.972 -1.027 1.00 0.00 H new ATOM 482 N GLU A 32 -3.485 2.301 -3.341 1.00 0.00 N ATOM 483 CA GLU A 32 -2.888 3.666 -3.402 1.00 0.00 C ATOM 484 C GLU A 32 -2.872 4.253 -1.982 1.00 0.00 C ATOM 485 O GLU A 32 -1.907 4.857 -1.559 1.00 0.00 O ATOM 486 CB GLU A 32 -3.768 4.478 -4.382 1.00 0.00 C ATOM 487 CG GLU A 32 -4.572 5.582 -3.671 1.00 0.00 C ATOM 488 CD GLU A 32 -5.844 4.987 -3.071 1.00 0.00 C ATOM 489 OE1 GLU A 32 -5.931 3.775 -3.011 1.00 0.00 O ATOM 490 OE2 GLU A 32 -6.709 5.756 -2.683 1.00 0.00 O ATOM 0 H GLU A 32 -4.395 2.193 -3.788 1.00 0.00 H new ATOM 0 HA GLU A 32 -1.858 3.675 -3.758 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.135 4.928 -5.147 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.455 3.804 -4.893 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.967 6.038 -2.887 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -4.827 6.372 -4.377 1.00 0.00 H new ATOM 497 N SER A 33 -3.939 4.074 -1.246 1.00 0.00 N ATOM 498 CA SER A 33 -3.992 4.614 0.145 1.00 0.00 C ATOM 499 C SER A 33 -2.970 3.925 1.061 1.00 0.00 C ATOM 500 O SER A 33 -2.732 4.381 2.162 1.00 0.00 O ATOM 501 CB SER A 33 -5.420 4.362 0.652 1.00 0.00 C ATOM 502 OG SER A 33 -6.304 5.260 -0.005 1.00 0.00 O ATOM 0 H SER A 33 -4.776 3.577 -1.549 1.00 0.00 H new ATOM 0 HA SER A 33 -3.743 5.675 0.151 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.714 3.331 0.455 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.468 4.507 1.731 1.00 0.00 H new ATOM 0 HG SER A 33 -7.060 5.465 0.584 1.00 0.00 H new ATOM 508 N CYS A 34 -2.344 2.847 0.645 1.00 0.00 N ATOM 509 CA CYS A 34 -1.346 2.218 1.562 1.00 0.00 C ATOM 510 C CYS A 34 0.003 2.909 1.397 1.00 0.00 C ATOM 511 O CYS A 34 0.537 3.484 2.323 1.00 0.00 O ATOM 512 CB CYS A 34 -1.213 0.752 1.155 1.00 0.00 C ATOM 513 SG CYS A 34 -2.509 -0.243 1.930 1.00 0.00 S ATOM 0 H CYS A 34 -2.476 2.391 -0.258 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.665 2.308 2.600 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -1.278 0.663 0.071 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.233 0.375 1.448 1.00 0.00 H new ATOM 518 N VAL A 35 0.556 2.852 0.218 1.00 0.00 N ATOM 519 CA VAL A 35 1.873 3.499 -0.023 1.00 0.00 C ATOM 520 C VAL A 35 1.931 4.862 0.674 1.00 0.00 C ATOM 521 O VAL A 35 2.990 5.344 1.026 1.00 0.00 O ATOM 522 CB VAL A 35 1.961 3.647 -1.546 1.00 0.00 C ATOM 523 CG1 VAL A 35 2.987 4.724 -1.908 1.00 0.00 C ATOM 524 CG2 VAL A 35 2.389 2.311 -2.158 1.00 0.00 C ATOM 0 H VAL A 35 0.150 2.383 -0.592 1.00 0.00 H new ATOM 0 HA VAL A 35 2.706 2.918 0.374 1.00 0.00 H new ATOM 0 HB VAL A 35 0.986 3.938 -1.937 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.044 4.823 -2.992 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.684 5.676 -1.472 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.965 4.441 -1.518 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.453 2.411 -3.242 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.363 2.025 -1.762 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.656 1.544 -1.907 1.00 0.00 H new ATOM 534 N ASP A 36 0.801 5.489 0.876 1.00 0.00 N ATOM 535 CA ASP A 36 0.803 6.819 1.547 1.00 0.00 C ATOM 536 C ASP A 36 1.233 6.676 3.019 1.00 0.00 C ATOM 537 O ASP A 36 2.213 7.247 3.431 1.00 0.00 O ATOM 538 CB ASP A 36 -0.641 7.346 1.389 1.00 0.00 C ATOM 539 CG ASP A 36 -1.384 7.378 2.730 1.00 0.00 C ATOM 540 OD1 ASP A 36 -1.111 8.271 3.516 1.00 0.00 O ATOM 541 OD2 ASP A 36 -2.213 6.508 2.946 1.00 0.00 O ATOM 0 H ASP A 36 -0.118 5.138 0.606 1.00 0.00 H new ATOM 0 HA ASP A 36 1.515 7.518 1.110 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.618 8.349 0.962 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.184 6.713 0.687 1.00 0.00 H new ATOM 546 N LEU A 37 0.517 5.925 3.813 1.00 0.00 N ATOM 547 CA LEU A 37 0.911 5.767 5.250 1.00 0.00 C ATOM 548 C LEU A 37 1.884 4.599 5.415 1.00 0.00 C ATOM 549 O LEU A 37 2.690 4.564 6.319 1.00 0.00 O ATOM 550 CB LEU A 37 -0.398 5.473 5.990 1.00 0.00 C ATOM 551 CG LEU A 37 -1.282 6.721 5.992 1.00 0.00 C ATOM 552 CD1 LEU A 37 -2.439 6.525 6.972 1.00 0.00 C ATOM 553 CD2 LEU A 37 -0.453 7.933 6.422 1.00 0.00 C ATOM 0 H LEU A 37 -0.321 5.415 3.533 1.00 0.00 H new ATOM 0 HA LEU A 37 1.413 6.655 5.634 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.921 4.646 5.509 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.187 5.164 7.014 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.677 6.887 4.990 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.069 7.414 6.974 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.031 5.662 6.668 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.043 6.359 7.974 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.083 8.823 6.423 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.058 7.766 7.424 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.373 8.075 5.725 1.00 0.00 H new ATOM 565 N LEU A 38 1.797 3.641 4.551 1.00 0.00 N ATOM 566 CA LEU A 38 2.688 2.453 4.642 1.00 0.00 C ATOM 567 C LEU A 38 4.153 2.863 4.816 1.00 0.00 C ATOM 568 O LEU A 38 4.787 2.540 5.801 1.00 0.00 O ATOM 569 CB LEU A 38 2.493 1.743 3.298 1.00 0.00 C ATOM 570 CG LEU A 38 3.016 0.302 3.358 1.00 0.00 C ATOM 571 CD1 LEU A 38 4.441 0.275 3.914 1.00 0.00 C ATOM 572 CD2 LEU A 38 2.104 -0.536 4.256 1.00 0.00 C ATOM 0 H LEU A 38 1.139 3.625 3.772 1.00 0.00 H new ATOM 0 HA LEU A 38 2.448 1.825 5.500 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.435 1.739 3.034 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.015 2.291 2.514 1.00 0.00 H new ATOM 0 HG LEU A 38 3.022 -0.112 2.350 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.798 -0.754 3.950 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.094 0.863 3.269 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.447 0.697 4.919 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.476 -1.560 4.298 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.093 -0.112 5.260 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.092 -0.534 3.850 1.00 0.00 H new ATOM 584 N PHE A 39 4.709 3.511 3.835 1.00 0.00 N ATOM 585 CA PHE A 39 6.153 3.875 3.899 1.00 0.00 C ATOM 586 C PHE A 39 6.426 5.236 4.550 1.00 0.00 C ATOM 587 O PHE A 39 7.469 5.431 5.140 1.00 0.00 O ATOM 588 CB PHE A 39 6.578 3.890 2.442 1.00 0.00 C ATOM 589 CG PHE A 39 6.141 2.593 1.801 1.00 0.00 C ATOM 590 CD1 PHE A 39 6.968 1.464 1.859 1.00 0.00 C ATOM 591 CD2 PHE A 39 4.895 2.514 1.170 1.00 0.00 C ATOM 592 CE1 PHE A 39 6.547 0.258 1.286 1.00 0.00 C ATOM 593 CE2 PHE A 39 4.474 1.309 0.594 1.00 0.00 C ATOM 594 CZ PHE A 39 5.301 0.180 0.654 1.00 0.00 C ATOM 0 H PHE A 39 4.226 3.807 2.987 1.00 0.00 H new ATOM 0 HA PHE A 39 6.704 3.171 4.522 1.00 0.00 H new ATOM 0 HB2 PHE A 39 6.129 4.738 1.925 1.00 0.00 H new ATOM 0 HB3 PHE A 39 7.659 4.006 2.364 1.00 0.00 H new ATOM 0 HD1 PHE A 39 7.930 1.524 2.346 1.00 0.00 H new ATOM 0 HD2 PHE A 39 4.257 3.384 1.127 1.00 0.00 H new ATOM 0 HE1 PHE A 39 7.184 -0.613 1.332 1.00 0.00 H new ATOM 0 HE2 PHE A 39 3.513 1.250 0.104 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.977 -0.751 0.212 1.00 0.00 H new ATOM 604 N VAL A 40 5.543 6.190 4.447 1.00 0.00 N ATOM 605 CA VAL A 40 5.864 7.511 5.075 1.00 0.00 C ATOM 606 C VAL A 40 6.322 7.297 6.517 1.00 0.00 C ATOM 607 O VAL A 40 7.006 8.120 7.091 1.00 0.00 O ATOM 608 CB VAL A 40 4.586 8.338 5.032 1.00 0.00 C ATOM 609 CG1 VAL A 40 4.266 8.704 3.583 1.00 0.00 C ATOM 610 CG2 VAL A 40 3.444 7.533 5.638 1.00 0.00 C ATOM 0 H VAL A 40 4.642 6.123 3.973 1.00 0.00 H new ATOM 0 HA VAL A 40 6.668 8.022 4.546 1.00 0.00 H new ATOM 0 HB VAL A 40 4.718 9.255 5.607 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.351 9.296 3.551 1.00 0.00 H new ATOM 0 HG12 VAL A 40 5.088 9.284 3.164 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.130 7.794 2.999 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.528 8.123 5.609 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.303 6.615 5.068 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.683 7.285 6.672 1.00 0.00 H new ATOM 620 N ARG A 41 5.964 6.186 7.099 1.00 0.00 N ATOM 621 CA ARG A 41 6.397 5.911 8.497 1.00 0.00 C ATOM 622 C ARG A 41 7.878 5.529 8.504 1.00 0.00 C ATOM 623 O ARG A 41 8.471 5.308 9.541 1.00 0.00 O ATOM 624 CB ARG A 41 5.543 4.730 8.965 1.00 0.00 C ATOM 625 CG ARG A 41 4.080 4.967 8.589 1.00 0.00 C ATOM 626 CD ARG A 41 3.307 3.650 8.705 1.00 0.00 C ATOM 627 NE ARG A 41 3.410 3.270 10.141 1.00 0.00 N ATOM 628 CZ ARG A 41 3.604 2.023 10.474 1.00 0.00 C ATOM 629 NH1 ARG A 41 3.156 1.066 9.709 1.00 0.00 N ATOM 630 NH2 ARG A 41 4.245 1.733 11.573 1.00 0.00 N ATOM 0 H ARG A 41 5.392 5.459 6.669 1.00 0.00 H new ATOM 0 HA ARG A 41 6.273 6.777 9.147 1.00 0.00 H new ATOM 0 HB2 ARG A 41 5.901 3.807 8.508 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.635 4.608 10.044 1.00 0.00 H new ATOM 0 HG2 ARG A 41 3.641 5.718 9.245 1.00 0.00 H new ATOM 0 HG3 ARG A 41 4.012 5.353 7.572 1.00 0.00 H new ATOM 0 HD2 ARG A 41 2.267 3.774 8.403 1.00 0.00 H new ATOM 0 HD3 ARG A 41 3.736 2.882 8.061 1.00 0.00 H new ATOM 0 HE ARG A 41 3.329 3.984 10.865 1.00 0.00 H new ATOM 0 HH11 ARG A 41 2.654 1.292 8.850 1.00 0.00 H new ATOM 0 HH12 ARG A 41 3.308 0.092 9.969 1.00 0.00 H new ATOM 0 HH21 ARG A 41 4.595 2.481 12.172 1.00 0.00 H new ATOM 0 HH22 ARG A 41 4.396 0.758 11.833 1.00 0.00 H new ATOM 644 N GLY A 42 8.477 5.445 7.347 1.00 0.00 N ATOM 645 CA GLY A 42 9.913 5.075 7.273 1.00 0.00 C ATOM 646 C GLY A 42 10.147 4.159 6.069 1.00 0.00 C ATOM 647 O GLY A 42 11.272 3.914 5.680 1.00 0.00 O ATOM 0 H GLY A 42 8.028 5.618 6.447 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.526 5.972 7.184 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.217 4.571 8.190 1.00 0.00 H new ATOM 651 N ALA A 43 9.099 3.651 5.469 1.00 0.00 N ATOM 652 CA ALA A 43 9.288 2.753 4.290 1.00 0.00 C ATOM 653 C ALA A 43 10.179 1.565 4.666 1.00 0.00 C ATOM 654 O ALA A 43 10.935 1.619 5.616 1.00 0.00 O ATOM 655 CB ALA A 43 9.978 3.624 3.239 1.00 0.00 C ATOM 0 H ALA A 43 8.130 3.817 5.742 1.00 0.00 H new ATOM 0 HA ALA A 43 8.345 2.342 3.929 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.153 3.037 2.338 1.00 0.00 H new ATOM 0 HB2 ALA A 43 9.342 4.476 2.999 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.931 3.981 3.631 1.00 0.00 H new ATOM 661 N GLY A 44 10.100 0.491 3.927 1.00 0.00 N ATOM 662 CA GLY A 44 10.951 -0.689 4.246 1.00 0.00 C ATOM 663 C GLY A 44 10.101 -1.796 4.877 1.00 0.00 C ATOM 664 O GLY A 44 10.551 -2.500 5.759 1.00 0.00 O ATOM 0 H GLY A 44 9.486 0.381 3.120 1.00 0.00 H new ATOM 0 HA2 GLY A 44 11.428 -1.059 3.339 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.749 -0.398 4.930 1.00 0.00 H new ATOM 668 N ASN A 45 8.879 -1.963 4.440 1.00 0.00 N ATOM 669 CA ASN A 45 8.026 -3.034 5.039 1.00 0.00 C ATOM 670 C ASN A 45 6.857 -3.398 4.116 1.00 0.00 C ATOM 671 O ASN A 45 5.850 -2.719 4.074 1.00 0.00 O ATOM 672 CB ASN A 45 7.501 -2.439 6.345 1.00 0.00 C ATOM 673 CG ASN A 45 8.589 -2.515 7.418 1.00 0.00 C ATOM 674 OD1 ASN A 45 9.130 -1.507 7.824 1.00 0.00 O ATOM 675 ND2 ASN A 45 8.935 -3.680 7.896 1.00 0.00 N ATOM 0 H ASN A 45 8.439 -1.412 3.703 1.00 0.00 H new ATOM 0 HA ASN A 45 8.592 -3.952 5.196 1.00 0.00 H new ATOM 0 HB2 ASN A 45 7.201 -1.403 6.190 1.00 0.00 H new ATOM 0 HB3 ASN A 45 6.614 -2.981 6.673 1.00 0.00 H new ATOM 0 HD21 ASN A 45 9.660 -3.743 8.611 1.00 0.00 H new ATOM 0 HD22 ASN A 45 8.480 -4.527 7.555 1.00 0.00 H new ATOM 682 N CYS A 46 6.976 -4.480 3.394 1.00 0.00 N ATOM 683 CA CYS A 46 5.867 -4.910 2.492 1.00 0.00 C ATOM 684 C CYS A 46 4.568 -5.004 3.300 1.00 0.00 C ATOM 685 O CYS A 46 4.583 -5.384 4.454 1.00 0.00 O ATOM 686 CB CYS A 46 6.304 -6.290 1.997 1.00 0.00 C ATOM 687 SG CYS A 46 5.548 -6.686 0.395 1.00 0.00 S ATOM 0 H CYS A 46 7.796 -5.087 3.390 1.00 0.00 H new ATOM 0 HA CYS A 46 5.682 -4.221 1.668 1.00 0.00 H new ATOM 0 HB2 CYS A 46 7.390 -6.319 1.906 1.00 0.00 H new ATOM 0 HB3 CYS A 46 6.025 -7.047 2.730 1.00 0.00 H new ATOM 692 N PRO A 47 3.488 -4.642 2.669 1.00 0.00 N ATOM 693 CA PRO A 47 2.155 -4.670 3.337 1.00 0.00 C ATOM 694 C PRO A 47 1.733 -6.095 3.721 1.00 0.00 C ATOM 695 O PRO A 47 0.783 -6.288 4.453 1.00 0.00 O ATOM 696 CB PRO A 47 1.225 -4.088 2.276 1.00 0.00 C ATOM 697 CG PRO A 47 1.930 -4.335 0.983 1.00 0.00 C ATOM 698 CD PRO A 47 3.390 -4.176 1.283 1.00 0.00 C ATOM 0 HA PRO A 47 2.145 -4.115 4.275 1.00 0.00 H new ATOM 0 HB2 PRO A 47 0.249 -4.573 2.295 1.00 0.00 H new ATOM 0 HB3 PRO A 47 1.055 -3.024 2.438 1.00 0.00 H new ATOM 0 HG2 PRO A 47 1.714 -5.334 0.604 1.00 0.00 H new ATOM 0 HG3 PRO A 47 1.607 -3.627 0.219 1.00 0.00 H new ATOM 0 HD2 PRO A 47 4.008 -4.771 0.611 1.00 0.00 H new ATOM 0 HD3 PRO A 47 3.714 -3.140 1.180 1.00 0.00 H new ATOM 706 N GLU A 48 2.418 -7.092 3.236 1.00 0.00 N ATOM 707 CA GLU A 48 2.019 -8.498 3.593 1.00 0.00 C ATOM 708 C GLU A 48 3.227 -9.396 3.944 1.00 0.00 C ATOM 709 O GLU A 48 3.060 -10.424 4.570 1.00 0.00 O ATOM 710 CB GLU A 48 1.263 -9.041 2.367 1.00 0.00 C ATOM 711 CG GLU A 48 2.249 -9.591 1.332 1.00 0.00 C ATOM 712 CD GLU A 48 3.341 -8.571 1.106 1.00 0.00 C ATOM 713 OE1 GLU A 48 3.006 -7.425 0.858 1.00 0.00 O ATOM 714 OE2 GLU A 48 4.492 -8.952 1.187 1.00 0.00 O ATOM 0 H GLU A 48 3.225 -7.006 2.618 1.00 0.00 H new ATOM 0 HA GLU A 48 1.401 -8.499 4.491 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.574 -9.827 2.676 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.663 -8.248 1.921 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.677 -10.531 1.681 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.733 -9.804 0.396 1.00 0.00 H new ATOM 721 N CYS A 49 4.433 -9.047 3.562 1.00 0.00 N ATOM 722 CA CYS A 49 5.591 -9.932 3.908 1.00 0.00 C ATOM 723 C CYS A 49 6.761 -9.116 4.486 1.00 0.00 C ATOM 724 O CYS A 49 7.844 -9.632 4.676 1.00 0.00 O ATOM 725 CB CYS A 49 5.979 -10.643 2.592 1.00 0.00 C ATOM 726 SG CYS A 49 7.273 -9.729 1.696 1.00 0.00 S ATOM 0 H CYS A 49 4.663 -8.204 3.036 1.00 0.00 H new ATOM 0 HA CYS A 49 5.330 -10.655 4.681 1.00 0.00 H new ATOM 0 HB2 CYS A 49 6.330 -11.651 2.812 1.00 0.00 H new ATOM 0 HB3 CYS A 49 5.098 -10.744 1.958 1.00 0.00 H new ATOM 731 N GLY A 50 6.553 -7.857 4.772 1.00 0.00 N ATOM 732 CA GLY A 50 7.656 -7.027 5.343 1.00 0.00 C ATOM 733 C GLY A 50 8.970 -7.337 4.620 1.00 0.00 C ATOM 734 O GLY A 50 10.037 -7.270 5.197 1.00 0.00 O ATOM 0 H GLY A 50 5.668 -7.368 4.635 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.416 -5.969 5.242 1.00 0.00 H new ATOM 0 HA3 GLY A 50 7.761 -7.230 6.409 1.00 0.00 H new ATOM 738 N THR A 51 8.902 -7.674 3.362 1.00 0.00 N ATOM 739 CA THR A 51 10.148 -7.986 2.602 1.00 0.00 C ATOM 740 C THR A 51 11.180 -6.873 2.827 1.00 0.00 C ATOM 741 O THR A 51 10.833 -5.779 3.228 1.00 0.00 O ATOM 742 CB THR A 51 9.695 -8.086 1.126 1.00 0.00 C ATOM 743 OG1 THR A 51 9.804 -9.436 0.701 1.00 0.00 O ATOM 744 CG2 THR A 51 10.550 -7.205 0.206 1.00 0.00 C ATOM 0 H THR A 51 8.037 -7.747 2.826 1.00 0.00 H new ATOM 0 HA THR A 51 10.632 -8.910 2.919 1.00 0.00 H new ATOM 0 HB THR A 51 8.664 -7.739 1.065 1.00 0.00 H new ATOM 0 HG1 THR A 51 9.150 -9.984 1.182 1.00 0.00 H new ATOM 0 HG21 THR A 51 10.199 -7.304 -0.821 1.00 0.00 H new ATOM 0 HG22 THR A 51 10.467 -6.164 0.519 1.00 0.00 H new ATOM 0 HG23 THR A 51 11.592 -7.520 0.266 1.00 0.00 H new ATOM 752 N PRO A 52 12.416 -7.195 2.565 1.00 0.00 N ATOM 753 CA PRO A 52 13.515 -6.211 2.743 1.00 0.00 C ATOM 754 C PRO A 52 13.376 -5.064 1.739 1.00 0.00 C ATOM 755 O PRO A 52 14.156 -4.934 0.817 1.00 0.00 O ATOM 756 CB PRO A 52 14.776 -7.033 2.479 1.00 0.00 C ATOM 757 CG PRO A 52 14.313 -8.170 1.627 1.00 0.00 C ATOM 758 CD PRO A 52 12.911 -8.486 2.076 1.00 0.00 C ATOM 0 HA PRO A 52 13.521 -5.743 3.727 1.00 0.00 H new ATOM 0 HB2 PRO A 52 15.536 -6.440 1.970 1.00 0.00 H new ATOM 0 HB3 PRO A 52 15.219 -7.389 3.409 1.00 0.00 H new ATOM 0 HG2 PRO A 52 14.332 -7.899 0.571 1.00 0.00 H new ATOM 0 HG3 PRO A 52 14.964 -9.036 1.745 1.00 0.00 H new ATOM 0 HD2 PRO A 52 12.302 -8.866 1.256 1.00 0.00 H new ATOM 0 HD3 PRO A 52 12.900 -9.244 2.859 1.00 0.00 H new ATOM 766 N LEU A 53 12.388 -4.230 1.916 1.00 0.00 N ATOM 767 CA LEU A 53 12.197 -3.088 0.981 1.00 0.00 C ATOM 768 C LEU A 53 13.280 -2.032 1.220 1.00 0.00 C ATOM 769 O LEU A 53 13.637 -1.742 2.345 1.00 0.00 O ATOM 770 CB LEU A 53 10.814 -2.535 1.321 1.00 0.00 C ATOM 771 CG LEU A 53 9.740 -3.488 0.799 1.00 0.00 C ATOM 772 CD1 LEU A 53 8.416 -3.201 1.505 1.00 0.00 C ATOM 773 CD2 LEU A 53 9.570 -3.284 -0.705 1.00 0.00 C ATOM 0 H LEU A 53 11.704 -4.291 2.670 1.00 0.00 H new ATOM 0 HA LEU A 53 12.269 -3.383 -0.066 1.00 0.00 H new ATOM 0 HB2 LEU A 53 10.714 -2.414 2.400 1.00 0.00 H new ATOM 0 HB3 LEU A 53 10.686 -1.548 0.876 1.00 0.00 H new ATOM 0 HG LEU A 53 10.039 -4.517 0.996 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.650 -3.881 1.132 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.538 -3.345 2.579 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.114 -2.172 1.308 1.00 0.00 H new ATOM 0 HD21 LEU A 53 8.804 -3.963 -1.080 1.00 0.00 H new ATOM 0 HD22 LEU A 53 9.270 -2.255 -0.901 1.00 0.00 H new ATOM 0 HD23 LEU A 53 10.515 -3.489 -1.209 1.00 0.00 H new ATOM 785 N ARG A 54 13.812 -1.460 0.175 1.00 0.00 N ATOM 786 CA ARG A 54 14.877 -0.432 0.356 1.00 0.00 C ATOM 787 C ARG A 54 14.431 0.915 -0.217 1.00 0.00 C ATOM 788 O ARG A 54 15.169 1.880 -0.196 1.00 0.00 O ATOM 789 CB ARG A 54 16.081 -0.971 -0.415 1.00 0.00 C ATOM 790 CG ARG A 54 17.296 -1.029 0.514 1.00 0.00 C ATOM 791 CD ARG A 54 17.151 -2.213 1.472 1.00 0.00 C ATOM 792 NE ARG A 54 16.827 -1.603 2.792 1.00 0.00 N ATOM 793 CZ ARG A 54 17.596 -1.830 3.822 1.00 0.00 C ATOM 794 NH1 ARG A 54 18.894 -1.759 3.697 1.00 0.00 N ATOM 795 NH2 ARG A 54 17.067 -2.127 4.978 1.00 0.00 N ATOM 0 H ARG A 54 13.557 -1.658 -0.793 1.00 0.00 H new ATOM 0 HA ARG A 54 15.106 -0.262 1.408 1.00 0.00 H new ATOM 0 HB2 ARG A 54 15.861 -1.964 -0.806 1.00 0.00 H new ATOM 0 HB3 ARG A 54 16.294 -0.331 -1.271 1.00 0.00 H new ATOM 0 HG2 ARG A 54 18.210 -1.131 -0.071 1.00 0.00 H new ATOM 0 HG3 ARG A 54 17.381 -0.100 1.078 1.00 0.00 H new ATOM 0 HD2 ARG A 54 16.362 -2.890 1.146 1.00 0.00 H new ATOM 0 HD3 ARG A 54 18.071 -2.796 1.522 1.00 0.00 H new ATOM 0 HE ARG A 54 16.004 -1.008 2.891 1.00 0.00 H new ATOM 0 HH11 ARG A 54 19.307 -1.526 2.794 1.00 0.00 H new ATOM 0 HH12 ARG A 54 19.494 -1.936 4.502 1.00 0.00 H new ATOM 0 HH21 ARG A 54 16.053 -2.182 5.076 1.00 0.00 H new ATOM 0 HH22 ARG A 54 17.668 -2.304 5.783 1.00 0.00 H new ATOM 809 N LYS A 55 13.232 0.995 -0.723 1.00 0.00 N ATOM 810 CA LYS A 55 12.753 2.288 -1.285 1.00 0.00 C ATOM 811 C LYS A 55 11.238 2.253 -1.504 1.00 0.00 C ATOM 812 O LYS A 55 10.707 2.954 -2.342 1.00 0.00 O ATOM 813 CB LYS A 55 13.499 2.453 -2.615 1.00 0.00 C ATOM 814 CG LYS A 55 12.936 1.486 -3.659 1.00 0.00 C ATOM 815 CD LYS A 55 13.455 0.074 -3.381 1.00 0.00 C ATOM 816 CE LYS A 55 13.107 -0.841 -4.559 1.00 0.00 C ATOM 817 NZ LYS A 55 14.421 -1.240 -5.136 1.00 0.00 N ATOM 0 H LYS A 55 12.566 0.224 -0.772 1.00 0.00 H new ATOM 0 HA LYS A 55 12.946 3.123 -0.611 1.00 0.00 H new ATOM 0 HB2 LYS A 55 13.403 3.479 -2.970 1.00 0.00 H new ATOM 0 HB3 LYS A 55 14.563 2.264 -2.470 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.846 1.497 -3.629 1.00 0.00 H new ATOM 0 HG3 LYS A 55 13.231 1.803 -4.659 1.00 0.00 H new ATOM 0 HD2 LYS A 55 14.534 0.095 -3.230 1.00 0.00 H new ATOM 0 HD3 LYS A 55 13.012 -0.313 -2.463 1.00 0.00 H new ATOM 0 HE2 LYS A 55 12.540 -1.711 -4.229 1.00 0.00 H new ATOM 0 HE3 LYS A 55 12.494 -0.321 -5.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 14.266 -1.869 -5.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 14.935 -0.391 -5.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 14.980 -1.738 -4.414 1.00 0.00 H new ATOM 831 N SER A 56 10.534 1.453 -0.744 1.00 0.00 N ATOM 832 CA SER A 56 9.048 1.385 -0.897 1.00 0.00 C ATOM 833 C SER A 56 8.673 0.796 -2.268 1.00 0.00 C ATOM 834 O SER A 56 8.008 -0.217 -2.357 1.00 0.00 O ATOM 835 CB SER A 56 8.583 2.834 -0.776 1.00 0.00 C ATOM 836 OG SER A 56 9.579 3.598 -0.108 1.00 0.00 O ATOM 0 H SER A 56 10.923 0.844 -0.024 1.00 0.00 H new ATOM 0 HA SER A 56 8.580 0.742 -0.151 1.00 0.00 H new ATOM 0 HB2 SER A 56 8.393 3.250 -1.766 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.644 2.881 -0.225 1.00 0.00 H new ATOM 0 HG SER A 56 9.281 4.529 -0.032 1.00 0.00 H new ATOM 842 N ASN A 57 9.117 1.417 -3.332 1.00 0.00 N ATOM 843 CA ASN A 57 8.825 0.911 -4.718 1.00 0.00 C ATOM 844 C ASN A 57 7.415 0.309 -4.848 1.00 0.00 C ATOM 845 O ASN A 57 7.162 -0.802 -4.424 1.00 0.00 O ATOM 846 CB ASN A 57 9.891 -0.166 -5.015 1.00 0.00 C ATOM 847 CG ASN A 57 10.366 -0.847 -3.727 1.00 0.00 C ATOM 848 OD1 ASN A 57 10.941 -0.216 -2.865 1.00 0.00 O ATOM 849 ND2 ASN A 57 10.147 -2.121 -3.562 1.00 0.00 N ATOM 0 H ASN A 57 9.679 2.268 -3.303 1.00 0.00 H new ATOM 0 HA ASN A 57 8.860 1.738 -5.427 1.00 0.00 H new ATOM 0 HB2 ASN A 57 9.478 -0.913 -5.693 1.00 0.00 H new ATOM 0 HB3 ASN A 57 10.741 0.290 -5.523 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.459 -2.586 -2.709 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.664 -2.653 -4.286 1.00 0.00 H new ATOM 856 N PHE A 58 6.506 1.020 -5.474 1.00 0.00 N ATOM 857 CA PHE A 58 5.125 0.467 -5.672 1.00 0.00 C ATOM 858 C PHE A 58 4.718 0.586 -7.146 1.00 0.00 C ATOM 859 O PHE A 58 4.439 1.664 -7.631 1.00 0.00 O ATOM 860 CB PHE A 58 4.148 1.313 -4.831 1.00 0.00 C ATOM 861 CG PHE A 58 4.855 2.109 -3.770 1.00 0.00 C ATOM 862 CD1 PHE A 58 5.320 1.471 -2.623 1.00 0.00 C ATOM 863 CD2 PHE A 58 5.006 3.492 -3.919 1.00 0.00 C ATOM 864 CE1 PHE A 58 5.944 2.211 -1.621 1.00 0.00 C ATOM 865 CE2 PHE A 58 5.626 4.236 -2.913 1.00 0.00 C ATOM 866 CZ PHE A 58 6.095 3.596 -1.763 1.00 0.00 C ATOM 0 H PHE A 58 6.658 1.954 -5.855 1.00 0.00 H new ATOM 0 HA PHE A 58 5.103 -0.581 -5.373 1.00 0.00 H new ATOM 0 HB2 PHE A 58 3.600 1.990 -5.486 1.00 0.00 H new ATOM 0 HB3 PHE A 58 3.413 0.658 -4.363 1.00 0.00 H new ATOM 0 HD1 PHE A 58 5.197 0.404 -2.510 1.00 0.00 H new ATOM 0 HD2 PHE A 58 4.644 3.983 -4.810 1.00 0.00 H new ATOM 0 HE1 PHE A 58 6.312 1.716 -0.734 1.00 0.00 H new ATOM 0 HE2 PHE A 58 5.743 5.304 -3.024 1.00 0.00 H new ATOM 0 HZ PHE A 58 6.574 4.170 -0.983 1.00 0.00 H new ATOM 876 N ARG A 59 4.635 -0.508 -7.856 1.00 0.00 N ATOM 877 CA ARG A 59 4.192 -0.418 -9.281 1.00 0.00 C ATOM 878 C ARG A 59 2.669 -0.533 -9.304 1.00 0.00 C ATOM 879 O ARG A 59 2.106 -1.561 -8.988 1.00 0.00 O ATOM 880 CB ARG A 59 4.855 -1.577 -10.043 1.00 0.00 C ATOM 881 CG ARG A 59 4.914 -2.839 -9.178 1.00 0.00 C ATOM 882 CD ARG A 59 4.706 -4.073 -10.059 1.00 0.00 C ATOM 883 NE ARG A 59 5.736 -3.960 -11.130 1.00 0.00 N ATOM 884 CZ ARG A 59 6.908 -4.510 -10.969 1.00 0.00 C ATOM 885 NH1 ARG A 59 7.005 -5.690 -10.420 1.00 0.00 N ATOM 886 NH2 ARG A 59 7.982 -3.881 -11.358 1.00 0.00 N ATOM 0 H ARG A 59 4.851 -1.446 -7.519 1.00 0.00 H new ATOM 0 HA ARG A 59 4.477 0.524 -9.750 1.00 0.00 H new ATOM 0 HB2 ARG A 59 4.297 -1.783 -10.956 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.863 -1.290 -10.344 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.877 -2.900 -8.670 1.00 0.00 H new ATOM 0 HG3 ARG A 59 4.147 -2.798 -8.404 1.00 0.00 H new ATOM 0 HD2 ARG A 59 4.831 -4.992 -9.487 1.00 0.00 H new ATOM 0 HD3 ARG A 59 3.700 -4.093 -10.479 1.00 0.00 H new ATOM 0 HE ARG A 59 5.525 -3.453 -11.989 1.00 0.00 H new ATOM 0 HH11 ARG A 59 6.165 -6.182 -10.117 1.00 0.00 H new ATOM 0 HH12 ARG A 59 7.921 -6.120 -10.294 1.00 0.00 H new ATOM 0 HH21 ARG A 59 7.906 -2.959 -11.788 1.00 0.00 H new ATOM 0 HH22 ARG A 59 8.898 -4.311 -11.232 1.00 0.00 H new ATOM 900 N VAL A 60 1.998 0.545 -9.610 1.00 0.00 N ATOM 901 CA VAL A 60 0.503 0.540 -9.577 1.00 0.00 C ATOM 902 C VAL A 60 -0.116 0.070 -10.893 1.00 0.00 C ATOM 903 O VAL A 60 0.441 0.221 -11.961 1.00 0.00 O ATOM 904 CB VAL A 60 0.112 1.988 -9.282 1.00 0.00 C ATOM 905 CG1 VAL A 60 0.818 2.928 -10.260 1.00 0.00 C ATOM 906 CG2 VAL A 60 -1.403 2.144 -9.432 1.00 0.00 C ATOM 0 H VAL A 60 2.420 1.433 -9.882 1.00 0.00 H new ATOM 0 HA VAL A 60 0.134 -0.159 -8.827 1.00 0.00 H new ATOM 0 HB VAL A 60 0.410 2.240 -8.264 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.534 3.958 -10.044 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.897 2.819 -10.155 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.526 2.678 -11.280 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.685 3.176 -9.222 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.696 1.887 -10.450 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.908 1.480 -8.731 1.00 0.00 H new ATOM 916 N GLN A 61 -1.285 -0.507 -10.792 1.00 0.00 N ATOM 917 CA GLN A 61 -2.009 -1.019 -11.989 1.00 0.00 C ATOM 918 C GLN A 61 -3.278 -1.743 -11.527 1.00 0.00 C ATOM 919 O GLN A 61 -3.437 -2.037 -10.359 1.00 0.00 O ATOM 920 CB GLN A 61 -1.040 -1.998 -12.655 1.00 0.00 C ATOM 921 CG GLN A 61 -0.441 -2.925 -11.595 1.00 0.00 C ATOM 922 CD GLN A 61 -0.479 -4.369 -12.099 1.00 0.00 C ATOM 923 OE1 GLN A 61 0.503 -4.874 -12.606 1.00 0.00 O ATOM 924 NE2 GLN A 61 -1.578 -5.060 -11.980 1.00 0.00 N ATOM 0 H GLN A 61 -1.777 -0.647 -9.910 1.00 0.00 H new ATOM 0 HA GLN A 61 -2.308 -0.229 -12.678 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -1.561 -2.583 -13.412 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -0.247 -1.451 -13.165 1.00 0.00 H new ATOM 0 HG2 GLN A 61 0.586 -2.631 -11.378 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -1.000 -2.839 -10.663 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -2.403 -4.637 -11.555 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -1.613 -6.024 -12.312 1.00 0.00 H new ATOM 933 N LEU A 62 -4.185 -2.030 -12.422 1.00 0.00 N ATOM 934 CA LEU A 62 -5.440 -2.734 -12.010 1.00 0.00 C ATOM 935 C LEU A 62 -6.376 -2.891 -13.211 1.00 0.00 C ATOM 936 O LEU A 62 -6.858 -3.969 -13.498 1.00 0.00 O ATOM 937 CB LEU A 62 -6.078 -1.824 -10.955 1.00 0.00 C ATOM 938 CG LEU A 62 -6.672 -2.666 -9.820 1.00 0.00 C ATOM 939 CD1 LEU A 62 -5.579 -3.521 -9.173 1.00 0.00 C ATOM 940 CD2 LEU A 62 -7.275 -1.737 -8.762 1.00 0.00 C ATOM 0 H LEU A 62 -4.115 -1.810 -13.416 1.00 0.00 H new ATOM 0 HA LEU A 62 -5.243 -3.734 -11.624 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.331 -1.138 -10.556 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.858 -1.215 -11.413 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.445 -3.318 -10.227 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -6.011 -4.115 -8.368 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.145 -4.184 -9.921 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.802 -2.873 -8.769 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.698 -2.333 -7.953 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.497 -1.086 -8.364 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -8.059 -1.131 -9.215 1.00 0.00 H new ATOM 952 N PHE A 63 -6.635 -1.823 -13.914 1.00 0.00 N ATOM 953 CA PHE A 63 -7.540 -1.910 -15.095 1.00 0.00 C ATOM 954 C PHE A 63 -6.734 -1.772 -16.389 1.00 0.00 C ATOM 955 O PHE A 63 -6.177 -0.732 -16.679 1.00 0.00 O ATOM 956 CB PHE A 63 -8.507 -0.736 -14.940 1.00 0.00 C ATOM 957 CG PHE A 63 -9.857 -1.120 -15.497 1.00 0.00 C ATOM 958 CD1 PHE A 63 -10.679 -2.007 -14.791 1.00 0.00 C ATOM 959 CD2 PHE A 63 -10.286 -0.590 -16.720 1.00 0.00 C ATOM 960 CE1 PHE A 63 -11.930 -2.363 -15.308 1.00 0.00 C ATOM 961 CE2 PHE A 63 -11.537 -0.947 -17.236 1.00 0.00 C ATOM 962 CZ PHE A 63 -12.359 -1.834 -16.531 1.00 0.00 C ATOM 0 H PHE A 63 -6.259 -0.894 -13.722 1.00 0.00 H new ATOM 0 HA PHE A 63 -8.063 -2.865 -15.145 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -8.599 -0.463 -13.889 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -8.121 0.139 -15.463 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -10.348 -2.416 -13.848 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -9.652 0.094 -17.265 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -12.565 -3.046 -14.763 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -11.868 -0.538 -18.179 1.00 0.00 H new ATOM 0 HZ PHE A 63 -13.324 -2.110 -16.930 1.00 0.00 H new ATOM 972 N GLU A 64 -6.668 -2.816 -17.169 1.00 0.00 N ATOM 973 CA GLU A 64 -5.900 -2.745 -18.444 1.00 0.00 C ATOM 974 C GLU A 64 -6.640 -1.867 -19.456 1.00 0.00 C ATOM 975 O GLU A 64 -7.012 -2.312 -20.525 1.00 0.00 O ATOM 976 CB GLU A 64 -5.823 -4.189 -18.939 1.00 0.00 C ATOM 977 CG GLU A 64 -7.231 -4.784 -18.998 1.00 0.00 C ATOM 978 CD GLU A 64 -7.259 -6.106 -18.228 1.00 0.00 C ATOM 979 OE1 GLU A 64 -6.218 -6.733 -18.125 1.00 0.00 O ATOM 980 OE2 GLU A 64 -8.323 -6.469 -17.753 1.00 0.00 O ATOM 0 H GLU A 64 -7.112 -3.714 -16.979 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.911 -2.308 -18.309 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.361 -4.222 -19.926 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.195 -4.780 -18.273 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.950 -4.086 -18.570 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.525 -4.948 -20.035 1.00 0.00 H new ATOM 987 N ASP A 65 -6.859 -0.622 -19.128 1.00 0.00 N ATOM 988 CA ASP A 65 -7.575 0.284 -20.071 1.00 0.00 C ATOM 989 C ASP A 65 -8.802 -0.423 -20.653 1.00 0.00 C ATOM 990 O ASP A 65 -8.746 -0.813 -21.807 1.00 0.00 O ATOM 991 CB ASP A 65 -6.561 0.593 -21.172 1.00 0.00 C ATOM 992 CG ASP A 65 -7.181 1.563 -22.179 1.00 0.00 C ATOM 993 OD1 ASP A 65 -7.776 2.536 -21.746 1.00 0.00 O ATOM 994 OD2 ASP A 65 -7.051 1.316 -23.367 1.00 0.00 O ATOM 995 OXT ASP A 65 -9.778 -0.561 -19.934 1.00 0.00 O ATOM 0 H ASP A 65 -6.573 -0.193 -18.248 1.00 0.00 H new ATOM 0 HA ASP A 65 -7.933 1.190 -19.582 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -5.660 1.028 -20.740 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -6.262 -0.327 -21.674 1.00 0.00 H new TER 1000 ASP A 65 HETATM 1001 ZN ZN A 66 -4.545 0.744 1.572 1.00 0.00 ZN HETATM 1002 ZN ZN A 67 6.357 -8.764 -0.184 1.00 0.00 ZN