USER MOD reduce.3.24.130724 H: found=0, std=0, add=495, rem=0, adj=13 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 Set 1.1: A 24 ASN : amide:sc= -13.3! C(o=-23!,f=-30!) USER MOD Set 1.2: A 57 ASN : amide:sc= -10.1! C(o=-23!,f=-34!) USER MOD Set 2.1: A 12 THR OG1 : rot 121:sc= -3.56! USER MOD Set 2.2: A 13 LYS NZ :NH3+ 179:sc= -2.35! (180deg=-2.39!) USER MOD Single : A 1 MET CE :methyl -163:sc= 0 (180deg=-0.57) USER MOD Single : A 1 MET N :NH3+ -113:sc= 0.042 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -0.108 X(o=-0.11,f=-0.0046) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot -57:sc= 0.0311 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -1.41 K(o=-1.4,f=-3.1!) USER MOD Single : A 18 SER OG : rot -67:sc= 0.699 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl 179:sc= -10.5! (180deg=-10.6!) USER MOD Single : A 29 THR OG1 : rot 40:sc= 0.603 USER MOD Single : A 33 SER OG : rot -140:sc= -5.07! USER MOD Single : A 45 ASN : amide:sc= -2.45 K(o=-2.4,f=-3.5) USER MOD Single : A 51 THR OG1 : rot 68:sc= 0.45 USER MOD Single : A 55 LYS NZ :NH3+ -165:sc= 0.776 (180deg=0.572) USER MOD Single : A 56 SER OG : rot 47:sc= 0.0525! USER MOD Single : A 61 GLN : amide:sc= -0.841 K(o=-0.84,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.194 -5.469 -8.926 1.00 0.00 N ATOM 2 CA MET A 1 -7.382 -6.223 -8.430 1.00 0.00 C ATOM 3 C MET A 1 -8.009 -5.499 -7.234 1.00 0.00 C ATOM 4 O MET A 1 -7.674 -4.370 -6.934 1.00 0.00 O ATOM 5 CB MET A 1 -6.838 -7.587 -8.007 1.00 0.00 C ATOM 6 CG MET A 1 -6.760 -8.508 -9.225 1.00 0.00 C ATOM 7 SD MET A 1 -6.890 -10.232 -8.689 1.00 0.00 S ATOM 8 CE MET A 1 -5.430 -10.246 -7.619 1.00 0.00 C ATOM 0 H1 MET A 1 -6.394 -5.091 -9.874 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.985 -4.684 -8.277 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.373 -6.106 -8.973 1.00 0.00 H new ATOM 0 HA MET A 1 -8.160 -6.312 -9.189 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.850 -7.473 -7.561 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.483 -8.027 -7.246 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.562 -8.272 -9.924 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.820 -8.350 -9.754 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.137 -11.276 -7.416 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.610 -9.727 -8.115 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.662 -9.743 -6.680 1.00 0.00 H new ATOM 20 N ASP A 2 -8.917 -6.140 -6.550 1.00 0.00 N ATOM 21 CA ASP A 2 -9.567 -5.492 -5.374 1.00 0.00 C ATOM 22 C ASP A 2 -9.929 -6.556 -4.324 1.00 0.00 C ATOM 23 O ASP A 2 -9.062 -7.145 -3.711 1.00 0.00 O ATOM 24 CB ASP A 2 -10.821 -4.822 -5.942 1.00 0.00 C ATOM 25 CG ASP A 2 -11.546 -5.797 -6.871 1.00 0.00 C ATOM 26 OD1 ASP A 2 -11.334 -6.990 -6.727 1.00 0.00 O ATOM 27 OD2 ASP A 2 -12.299 -5.334 -7.711 1.00 0.00 O ATOM 0 H ASP A 2 -9.238 -7.086 -6.755 1.00 0.00 H new ATOM 0 HA ASP A 2 -8.919 -4.771 -4.875 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -11.482 -4.517 -5.131 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -10.548 -3.919 -6.487 1.00 0.00 H new ATOM 32 N ASP A 3 -11.198 -6.813 -4.113 1.00 0.00 N ATOM 33 CA ASP A 3 -11.595 -7.843 -3.105 1.00 0.00 C ATOM 34 C ASP A 3 -10.723 -7.724 -1.850 1.00 0.00 C ATOM 35 O ASP A 3 -11.003 -6.947 -0.960 1.00 0.00 O ATOM 36 CB ASP A 3 -11.368 -9.186 -3.800 1.00 0.00 C ATOM 37 CG ASP A 3 -12.461 -9.409 -4.847 1.00 0.00 C ATOM 38 OD1 ASP A 3 -13.276 -8.519 -5.024 1.00 0.00 O ATOM 39 OD2 ASP A 3 -12.464 -10.467 -5.454 1.00 0.00 O ATOM 0 H ASP A 3 -11.972 -6.355 -4.594 1.00 0.00 H new ATOM 0 HA ASP A 3 -12.628 -7.726 -2.779 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -10.387 -9.201 -4.274 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -11.381 -9.993 -3.068 1.00 0.00 H new ATOM 44 N GLN A 4 -9.664 -8.483 -1.773 1.00 0.00 N ATOM 45 CA GLN A 4 -8.778 -8.402 -0.578 1.00 0.00 C ATOM 46 C GLN A 4 -7.591 -7.486 -0.881 1.00 0.00 C ATOM 47 O GLN A 4 -6.504 -7.667 -0.367 1.00 0.00 O ATOM 48 CB GLN A 4 -8.304 -9.836 -0.334 1.00 0.00 C ATOM 49 CG GLN A 4 -7.688 -9.939 1.063 1.00 0.00 C ATOM 50 CD GLN A 4 -6.839 -11.209 1.153 1.00 0.00 C ATOM 51 OE1 GLN A 4 -7.075 -12.052 1.995 1.00 0.00 O ATOM 52 NE2 GLN A 4 -5.853 -11.381 0.317 1.00 0.00 N ATOM 0 H GLN A 4 -9.375 -9.154 -2.484 1.00 0.00 H new ATOM 0 HA GLN A 4 -9.288 -7.994 0.295 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -9.141 -10.528 -0.426 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -7.571 -10.121 -1.088 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -7.073 -9.062 1.267 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -8.474 -9.960 1.818 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -5.655 -10.673 -0.390 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -5.280 -12.223 0.370 1.00 0.00 H new ATOM 61 N GLY A 5 -7.793 -6.504 -1.717 1.00 0.00 N ATOM 62 CA GLY A 5 -6.682 -5.577 -2.062 1.00 0.00 C ATOM 63 C GLY A 5 -6.280 -4.770 -0.828 1.00 0.00 C ATOM 64 O GLY A 5 -6.613 -5.122 0.287 1.00 0.00 O ATOM 0 H GLY A 5 -8.682 -6.305 -2.176 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -5.827 -6.142 -2.433 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -6.992 -4.905 -2.862 1.00 0.00 H new ATOM 68 N CYS A 6 -5.563 -3.694 -1.033 1.00 0.00 N ATOM 69 CA CYS A 6 -5.106 -2.833 0.094 1.00 0.00 C ATOM 70 C CYS A 6 -4.949 -3.631 1.395 1.00 0.00 C ATOM 71 O CYS A 6 -5.878 -3.742 2.172 1.00 0.00 O ATOM 72 CB CYS A 6 -6.176 -1.754 0.257 1.00 0.00 C ATOM 73 SG CYS A 6 -5.814 -0.846 1.757 1.00 0.00 S ATOM 0 H CYS A 6 -5.270 -3.372 -1.955 1.00 0.00 H new ATOM 0 HA CYS A 6 -4.125 -2.408 -0.121 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -6.178 -1.085 -0.603 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -7.167 -2.204 0.313 1.00 0.00 H new ATOM 78 N PRO A 7 -3.768 -4.142 1.595 1.00 0.00 N ATOM 79 CA PRO A 7 -3.470 -4.916 2.815 1.00 0.00 C ATOM 80 C PRO A 7 -3.070 -3.976 3.961 1.00 0.00 C ATOM 81 O PRO A 7 -2.684 -4.414 5.027 1.00 0.00 O ATOM 82 CB PRO A 7 -2.293 -5.788 2.395 1.00 0.00 C ATOM 83 CG PRO A 7 -1.627 -5.056 1.265 1.00 0.00 C ATOM 84 CD PRO A 7 -2.612 -4.057 0.704 1.00 0.00 C ATOM 0 HA PRO A 7 -4.320 -5.493 3.179 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -1.602 -5.939 3.225 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -2.630 -6.775 2.077 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -0.730 -4.548 1.618 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -1.313 -5.756 0.491 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -2.193 -3.051 0.692 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -2.884 -4.301 -0.323 1.00 0.00 H new ATOM 92 N ARG A 8 -3.152 -2.687 3.750 1.00 0.00 N ATOM 93 CA ARG A 8 -2.769 -1.730 4.832 1.00 0.00 C ATOM 94 C ARG A 8 -3.951 -0.832 5.210 1.00 0.00 C ATOM 95 O ARG A 8 -4.395 -0.823 6.341 1.00 0.00 O ATOM 96 CB ARG A 8 -1.631 -0.891 4.244 1.00 0.00 C ATOM 97 CG ARG A 8 -0.744 -0.373 5.376 1.00 0.00 C ATOM 98 CD ARG A 8 0.722 -0.652 5.041 1.00 0.00 C ATOM 99 NE ARG A 8 1.500 0.152 6.024 1.00 0.00 N ATOM 100 CZ ARG A 8 1.711 -0.310 7.226 1.00 0.00 C ATOM 101 NH1 ARG A 8 2.235 -1.495 7.388 1.00 0.00 N ATOM 102 NH2 ARG A 8 1.399 0.413 8.267 1.00 0.00 N ATOM 0 H ARG A 8 -3.466 -2.257 2.880 1.00 0.00 H new ATOM 0 HA ARG A 8 -2.468 -2.251 5.741 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -1.042 -1.492 3.552 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -2.037 -0.055 3.674 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -0.900 0.697 5.514 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -1.013 -0.858 6.314 1.00 0.00 H new ATOM 0 HD2 ARG A 8 0.952 -1.714 5.129 1.00 0.00 H new ATOM 0 HD3 ARG A 8 0.956 -0.359 4.018 1.00 0.00 H new ATOM 0 HE ARG A 8 1.868 1.065 5.757 1.00 0.00 H new ATOM 0 HH11 ARG A 8 2.480 -2.060 6.575 1.00 0.00 H new ATOM 0 HH12 ARG A 8 2.400 -1.856 8.328 1.00 0.00 H new ATOM 0 HH21 ARG A 8 0.990 1.339 8.141 1.00 0.00 H new ATOM 0 HH22 ARG A 8 1.564 0.052 9.207 1.00 0.00 H new ATOM 116 N CYS A 9 -4.464 -0.074 4.279 1.00 0.00 N ATOM 117 CA CYS A 9 -5.624 0.826 4.614 1.00 0.00 C ATOM 118 C CYS A 9 -6.953 0.251 4.105 1.00 0.00 C ATOM 119 O CYS A 9 -7.762 0.975 3.571 1.00 0.00 O ATOM 120 CB CYS A 9 -5.374 2.207 3.954 1.00 0.00 C ATOM 121 SG CYS A 9 -3.939 2.239 2.825 1.00 0.00 S ATOM 0 H CYS A 9 -4.142 -0.033 3.312 1.00 0.00 H new ATOM 0 HA CYS A 9 -5.697 0.916 5.698 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -6.266 2.501 3.401 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -5.225 2.951 4.737 1.00 0.00 H new ATOM 126 N LYS A 10 -7.156 -1.046 4.231 1.00 0.00 N ATOM 127 CA LYS A 10 -8.415 -1.701 3.722 1.00 0.00 C ATOM 128 C LYS A 10 -9.575 -0.690 3.558 1.00 0.00 C ATOM 129 O LYS A 10 -10.402 -0.489 4.423 1.00 0.00 O ATOM 130 CB LYS A 10 -8.718 -2.826 4.735 1.00 0.00 C ATOM 131 CG LYS A 10 -9.771 -2.398 5.759 1.00 0.00 C ATOM 132 CD LYS A 10 -9.796 -3.400 6.916 1.00 0.00 C ATOM 133 CE LYS A 10 -8.671 -3.074 7.900 1.00 0.00 C ATOM 134 NZ LYS A 10 -8.121 -4.397 8.308 1.00 0.00 N ATOM 0 H LYS A 10 -6.495 -1.687 4.670 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.290 -2.107 2.718 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -9.067 -3.711 4.202 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -7.800 -3.107 5.252 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -9.545 -1.400 6.133 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -10.752 -2.347 5.287 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -10.760 -3.361 7.424 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -9.677 -4.414 6.535 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.905 -2.455 7.433 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -9.047 -2.520 8.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.343 -4.256 8.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.871 -4.962 8.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.764 -4.898 7.469 1.00 0.00 H new ATOM 148 N THR A 11 -9.612 -0.048 2.420 1.00 0.00 N ATOM 149 CA THR A 11 -10.667 0.969 2.116 1.00 0.00 C ATOM 150 C THR A 11 -10.306 1.626 0.785 1.00 0.00 C ATOM 151 O THR A 11 -10.322 2.834 0.654 1.00 0.00 O ATOM 152 CB THR A 11 -10.589 2.005 3.243 1.00 0.00 C ATOM 153 OG1 THR A 11 -11.755 2.816 3.218 1.00 0.00 O ATOM 154 CG2 THR A 11 -9.356 2.878 3.033 1.00 0.00 C ATOM 0 H THR A 11 -8.938 -0.189 1.668 1.00 0.00 H new ATOM 0 HA THR A 11 -11.666 0.539 2.048 1.00 0.00 H new ATOM 0 HB THR A 11 -10.520 1.499 4.206 1.00 0.00 H new ATOM 0 HG1 THR A 11 -11.840 3.240 2.339 1.00 0.00 H new ATOM 0 HG21 THR A 11 -9.294 3.618 3.831 1.00 0.00 H new ATOM 0 HG22 THR A 11 -8.462 2.254 3.046 1.00 0.00 H new ATOM 0 HG23 THR A 11 -9.430 3.387 2.072 1.00 0.00 H new ATOM 162 N THR A 12 -9.909 0.849 -0.183 1.00 0.00 N ATOM 163 CA THR A 12 -9.471 1.456 -1.466 1.00 0.00 C ATOM 164 C THR A 12 -10.246 0.929 -2.672 1.00 0.00 C ATOM 165 O THR A 12 -11.449 1.019 -2.722 1.00 0.00 O ATOM 166 CB THR A 12 -8.006 1.071 -1.532 1.00 0.00 C ATOM 167 OG1 THR A 12 -7.875 -0.345 -1.516 1.00 0.00 O ATOM 168 CG2 THR A 12 -7.322 1.670 -0.317 1.00 0.00 C ATOM 0 H THR A 12 -9.869 -0.169 -0.141 1.00 0.00 H new ATOM 0 HA THR A 12 -9.646 2.531 -1.499 1.00 0.00 H new ATOM 0 HB THR A 12 -7.552 1.443 -2.450 1.00 0.00 H new ATOM 0 HG1 THR A 12 -7.412 -0.640 -2.328 1.00 0.00 H new ATOM 0 HG21 THR A 12 -6.263 1.412 -0.332 1.00 0.00 H new ATOM 0 HG22 THR A 12 -7.432 2.754 -0.335 1.00 0.00 H new ATOM 0 HG23 THR A 12 -7.779 1.274 0.590 1.00 0.00 H new ATOM 176 N LYS A 13 -9.568 0.395 -3.656 1.00 0.00 N ATOM 177 CA LYS A 13 -10.285 -0.105 -4.857 1.00 0.00 C ATOM 178 C LYS A 13 -11.567 -0.824 -4.426 1.00 0.00 C ATOM 179 O LYS A 13 -12.546 -0.850 -5.146 1.00 0.00 O ATOM 180 CB LYS A 13 -9.271 -1.012 -5.563 1.00 0.00 C ATOM 181 CG LYS A 13 -9.396 -2.458 -5.088 1.00 0.00 C ATOM 182 CD LYS A 13 -8.684 -2.602 -3.746 1.00 0.00 C ATOM 183 CE LYS A 13 -9.362 -3.698 -2.919 1.00 0.00 C ATOM 184 NZ LYS A 13 -9.305 -3.213 -1.513 1.00 0.00 N ATOM 0 H LYS A 13 -8.554 0.286 -3.676 1.00 0.00 H new ATOM 0 HA LYS A 13 -10.617 0.679 -5.538 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -9.427 -0.966 -6.641 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.261 -0.650 -5.372 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -10.446 -2.732 -4.989 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -8.958 -3.135 -5.822 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.634 -2.849 -3.905 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -8.711 -1.656 -3.206 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -10.392 -3.855 -3.241 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.845 -4.651 -3.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.766 -3.905 -0.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.312 -3.096 -1.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.797 -2.299 -1.441 1.00 0.00 H new ATOM 198 N TYR A 14 -11.592 -1.355 -3.230 1.00 0.00 N ATOM 199 CA TYR A 14 -12.838 -2.003 -2.742 1.00 0.00 C ATOM 200 C TYR A 14 -13.806 -0.899 -2.309 1.00 0.00 C ATOM 201 O TYR A 14 -14.958 -0.877 -2.693 1.00 0.00 O ATOM 202 CB TYR A 14 -12.417 -2.887 -1.565 1.00 0.00 C ATOM 203 CG TYR A 14 -13.474 -3.942 -1.335 1.00 0.00 C ATOM 204 CD1 TYR A 14 -14.740 -3.578 -0.860 1.00 0.00 C ATOM 205 CD2 TYR A 14 -13.188 -5.286 -1.601 1.00 0.00 C ATOM 206 CE1 TYR A 14 -15.718 -4.556 -0.649 1.00 0.00 C ATOM 207 CE2 TYR A 14 -14.167 -6.265 -1.390 1.00 0.00 C ATOM 208 CZ TYR A 14 -15.431 -5.900 -0.915 1.00 0.00 C ATOM 209 OH TYR A 14 -16.396 -6.865 -0.710 1.00 0.00 O ATOM 0 H TYR A 14 -10.808 -1.366 -2.578 1.00 0.00 H new ATOM 0 HA TYR A 14 -13.340 -2.608 -3.497 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -11.456 -3.357 -1.773 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -12.288 -2.282 -0.668 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -14.962 -2.541 -0.656 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -12.213 -5.568 -1.969 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -16.694 -4.274 -0.281 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -13.946 -7.302 -1.594 1.00 0.00 H new ATOM 0 HH TYR A 14 -16.034 -7.745 -0.944 1.00 0.00 H new ATOM 219 N ARG A 15 -13.322 0.042 -1.546 1.00 0.00 N ATOM 220 CA ARG A 15 -14.172 1.190 -1.114 1.00 0.00 C ATOM 221 C ARG A 15 -14.023 2.304 -2.154 1.00 0.00 C ATOM 222 O ARG A 15 -14.943 2.655 -2.866 1.00 0.00 O ATOM 223 CB ARG A 15 -13.591 1.633 0.230 1.00 0.00 C ATOM 224 CG ARG A 15 -14.122 0.748 1.363 1.00 0.00 C ATOM 225 CD ARG A 15 -14.002 -0.731 0.982 1.00 0.00 C ATOM 226 NE ARG A 15 -12.542 -1.031 0.979 1.00 0.00 N ATOM 227 CZ ARG A 15 -12.026 -1.757 1.933 1.00 0.00 C ATOM 228 NH1 ARG A 15 -12.520 -1.698 3.140 1.00 0.00 N ATOM 229 NH2 ARG A 15 -11.014 -2.541 1.681 1.00 0.00 N ATOM 0 H ARG A 15 -12.363 0.066 -1.199 1.00 0.00 H new ATOM 0 HA ARG A 15 -15.229 0.940 -1.023 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -12.503 1.579 0.198 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -13.853 2.674 0.421 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -13.562 0.942 2.278 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -15.164 0.994 1.569 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -14.530 -1.363 1.696 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -14.442 -0.920 0.003 1.00 0.00 H new ATOM 0 HE ARG A 15 -11.947 -0.670 0.233 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -13.310 -1.084 3.338 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -12.116 -2.266 3.885 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -10.626 -2.586 0.739 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -10.611 -3.108 2.426 1.00 0.00 H new ATOM 243 N ASN A 16 -12.830 2.828 -2.246 1.00 0.00 N ATOM 244 CA ASN A 16 -12.512 3.896 -3.233 1.00 0.00 C ATOM 245 C ASN A 16 -12.492 3.313 -4.649 1.00 0.00 C ATOM 246 O ASN A 16 -11.686 2.454 -4.951 1.00 0.00 O ATOM 247 CB ASN A 16 -11.107 4.348 -2.830 1.00 0.00 C ATOM 248 CG ASN A 16 -11.143 5.772 -2.282 1.00 0.00 C ATOM 249 OD1 ASN A 16 -12.197 6.360 -2.141 1.00 0.00 O ATOM 250 ND2 ASN A 16 -10.018 6.351 -1.966 1.00 0.00 N ATOM 0 H ASN A 16 -12.042 2.551 -1.660 1.00 0.00 H new ATOM 0 HA ASN A 16 -13.239 4.709 -3.235 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -10.703 3.672 -2.077 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -10.441 4.300 -3.692 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -10.020 7.302 -1.598 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -9.136 5.852 -2.087 1.00 0.00 H new ATOM 257 N PRO A 17 -13.377 3.797 -5.475 1.00 0.00 N ATOM 258 CA PRO A 17 -13.450 3.313 -6.874 1.00 0.00 C ATOM 259 C PRO A 17 -12.268 3.851 -7.684 1.00 0.00 C ATOM 260 O PRO A 17 -11.484 3.100 -8.227 1.00 0.00 O ATOM 261 CB PRO A 17 -14.770 3.884 -7.382 1.00 0.00 C ATOM 262 CG PRO A 17 -15.029 5.085 -6.528 1.00 0.00 C ATOM 263 CD PRO A 17 -14.380 4.829 -5.190 1.00 0.00 C ATOM 0 HA PRO A 17 -13.405 2.227 -6.958 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -14.702 4.156 -8.435 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -15.575 3.155 -7.292 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -14.617 5.982 -6.990 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -16.100 5.250 -6.411 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -13.921 5.733 -4.790 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -15.106 4.487 -4.453 1.00 0.00 H new ATOM 271 N SER A 18 -12.126 5.146 -7.761 1.00 0.00 N ATOM 272 CA SER A 18 -10.985 5.724 -8.528 1.00 0.00 C ATOM 273 C SER A 18 -9.670 5.415 -7.808 1.00 0.00 C ATOM 274 O SER A 18 -8.932 6.305 -7.433 1.00 0.00 O ATOM 275 CB SER A 18 -11.244 7.230 -8.555 1.00 0.00 C ATOM 276 OG SER A 18 -10.134 7.886 -9.155 1.00 0.00 O ATOM 0 H SER A 18 -12.749 5.828 -7.327 1.00 0.00 H new ATOM 0 HA SER A 18 -10.907 5.312 -9.534 1.00 0.00 H new ATOM 0 HB2 SER A 18 -12.154 7.444 -9.115 1.00 0.00 H new ATOM 0 HB3 SER A 18 -11.398 7.603 -7.542 1.00 0.00 H new ATOM 0 HG SER A 18 -9.350 7.799 -8.574 1.00 0.00 H new ATOM 282 N LEU A 19 -9.380 4.160 -7.604 1.00 0.00 N ATOM 283 CA LEU A 19 -8.124 3.787 -6.899 1.00 0.00 C ATOM 284 C LEU A 19 -7.397 2.680 -7.659 1.00 0.00 C ATOM 285 O LEU A 19 -7.985 1.963 -8.443 1.00 0.00 O ATOM 286 CB LEU A 19 -8.586 3.270 -5.540 1.00 0.00 C ATOM 287 CG LEU A 19 -7.432 3.327 -4.543 1.00 0.00 C ATOM 288 CD1 LEU A 19 -7.990 3.638 -3.154 1.00 0.00 C ATOM 289 CD2 LEU A 19 -6.697 1.983 -4.526 1.00 0.00 C ATOM 0 H LEU A 19 -9.962 3.375 -7.897 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.432 4.625 -6.816 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.421 3.870 -5.178 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -8.946 2.246 -5.634 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.729 4.107 -4.835 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.172 3.681 -2.435 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.505 4.598 -3.175 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.691 2.857 -2.860 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.874 2.028 -3.813 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -7.389 1.194 -4.232 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.305 1.770 -5.520 1.00 0.00 H new ATOM 301 N LYS A 20 -6.127 2.524 -7.419 1.00 0.00 N ATOM 302 CA LYS A 20 -5.368 1.450 -8.113 1.00 0.00 C ATOM 303 C LYS A 20 -4.404 0.790 -7.131 1.00 0.00 C ATOM 304 O LYS A 20 -4.097 1.334 -6.089 1.00 0.00 O ATOM 305 CB LYS A 20 -4.606 2.150 -9.243 1.00 0.00 C ATOM 306 CG LYS A 20 -4.030 3.475 -8.736 1.00 0.00 C ATOM 307 CD LYS A 20 -4.974 4.619 -9.113 1.00 0.00 C ATOM 308 CE LYS A 20 -4.479 5.287 -10.398 1.00 0.00 C ATOM 309 NZ LYS A 20 -4.296 6.721 -10.041 1.00 0.00 N ATOM 0 H LYS A 20 -5.582 3.094 -6.772 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.017 0.666 -8.504 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.803 1.508 -9.605 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.273 2.331 -10.086 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.901 3.437 -7.654 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.044 3.645 -9.169 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.985 4.238 -9.255 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.019 5.349 -8.305 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.544 4.843 -10.739 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.201 5.171 -11.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.957 7.245 -10.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -5.204 7.119 -9.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.599 6.801 -9.274 1.00 0.00 H new ATOM 323 N LEU A 21 -3.934 -0.384 -7.443 1.00 0.00 N ATOM 324 CA LEU A 21 -3.006 -1.075 -6.507 1.00 0.00 C ATOM 325 C LEU A 21 -1.622 -1.231 -7.135 1.00 0.00 C ATOM 326 O LEU A 21 -1.482 -1.661 -8.262 1.00 0.00 O ATOM 327 CB LEU A 21 -3.650 -2.440 -6.260 1.00 0.00 C ATOM 328 CG LEU A 21 -4.731 -2.314 -5.182 1.00 0.00 C ATOM 329 CD1 LEU A 21 -5.646 -1.123 -5.491 1.00 0.00 C ATOM 330 CD2 LEU A 21 -5.569 -3.595 -5.153 1.00 0.00 C ATOM 0 H LEU A 21 -4.150 -0.893 -8.300 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.860 -0.517 -5.582 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.087 -2.819 -7.184 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.893 -3.159 -5.947 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.253 -2.159 -4.215 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.411 -1.042 -4.719 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.056 -0.207 -5.514 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.123 -1.272 -6.460 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.339 -3.509 -4.387 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.039 -3.744 -6.125 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.926 -4.445 -4.927 1.00 0.00 H new ATOM 342 N MET A 22 -0.596 -0.889 -6.403 1.00 0.00 N ATOM 343 CA MET A 22 0.778 -1.021 -6.940 1.00 0.00 C ATOM 344 C MET A 22 1.430 -2.276 -6.346 1.00 0.00 C ATOM 345 O MET A 22 1.093 -2.700 -5.264 1.00 0.00 O ATOM 346 CB MET A 22 1.548 0.249 -6.512 1.00 0.00 C ATOM 347 CG MET A 22 0.610 1.358 -6.000 1.00 0.00 C ATOM 348 SD MET A 22 1.566 2.797 -5.425 1.00 0.00 S ATOM 349 CE MET A 22 3.111 2.496 -6.325 1.00 0.00 C ATOM 0 H MET A 22 -0.656 -0.523 -5.453 1.00 0.00 H new ATOM 0 HA MET A 22 0.783 -1.119 -8.026 1.00 0.00 H new ATOM 0 HB2 MET A 22 2.263 -0.009 -5.730 1.00 0.00 H new ATOM 0 HB3 MET A 22 2.123 0.625 -7.358 1.00 0.00 H new ATOM 0 HG2 MET A 22 -0.070 1.662 -6.796 1.00 0.00 H new ATOM 0 HG3 MET A 22 -0.004 0.974 -5.185 1.00 0.00 H new ATOM 0 HE1 MET A 22 3.820 3.295 -6.108 1.00 0.00 H new ATOM 0 HE2 MET A 22 3.534 1.541 -6.013 1.00 0.00 H new ATOM 0 HE3 MET A 22 2.909 2.470 -7.396 1.00 0.00 H new ATOM 359 N VAL A 23 2.351 -2.881 -7.043 1.00 0.00 N ATOM 360 CA VAL A 23 3.004 -4.116 -6.501 1.00 0.00 C ATOM 361 C VAL A 23 4.517 -4.069 -6.735 1.00 0.00 C ATOM 362 O VAL A 23 5.003 -3.250 -7.484 1.00 0.00 O ATOM 363 CB VAL A 23 2.373 -5.267 -7.285 1.00 0.00 C ATOM 364 CG1 VAL A 23 3.213 -6.532 -7.103 1.00 0.00 C ATOM 365 CG2 VAL A 23 0.954 -5.517 -6.768 1.00 0.00 C ATOM 0 H VAL A 23 2.682 -2.580 -7.960 1.00 0.00 H new ATOM 0 HA VAL A 23 2.858 -4.223 -5.426 1.00 0.00 H new ATOM 0 HB VAL A 23 2.335 -5.008 -8.343 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.762 -7.352 -7.662 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.223 -6.354 -7.471 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.253 -6.793 -6.046 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.503 -6.337 -7.326 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.993 -5.776 -5.710 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.355 -4.616 -6.899 1.00 0.00 H new ATOM 375 N ASN A 24 5.270 -4.937 -6.101 1.00 0.00 N ATOM 376 CA ASN A 24 6.752 -4.912 -6.306 1.00 0.00 C ATOM 377 C ASN A 24 7.447 -6.096 -5.635 1.00 0.00 C ATOM 378 O ASN A 24 6.850 -6.854 -4.900 1.00 0.00 O ATOM 379 CB ASN A 24 7.223 -3.638 -5.621 1.00 0.00 C ATOM 380 CG ASN A 24 7.860 -2.708 -6.646 1.00 0.00 C ATOM 381 OD1 ASN A 24 9.065 -2.567 -6.703 1.00 0.00 O ATOM 382 ND2 ASN A 24 7.086 -2.070 -7.463 1.00 0.00 N ATOM 0 H ASN A 24 4.928 -5.652 -5.459 1.00 0.00 H new ATOM 0 HA ASN A 24 6.986 -4.960 -7.369 1.00 0.00 H new ATOM 0 HB2 ASN A 24 6.382 -3.141 -5.138 1.00 0.00 H new ATOM 0 HB3 ASN A 24 7.942 -3.879 -4.838 1.00 0.00 H new ATOM 0 HD21 ASN A 24 7.487 -1.444 -8.161 1.00 0.00 H new ATOM 0 HD22 ASN A 24 6.075 -2.193 -7.409 1.00 0.00 H new ATOM 389 N VAL A 25 8.731 -6.206 -5.862 1.00 0.00 N ATOM 390 CA VAL A 25 9.548 -7.283 -5.231 1.00 0.00 C ATOM 391 C VAL A 25 8.720 -8.564 -4.987 1.00 0.00 C ATOM 392 O VAL A 25 8.267 -9.185 -5.929 1.00 0.00 O ATOM 393 CB VAL A 25 10.045 -6.625 -3.941 1.00 0.00 C ATOM 394 CG1 VAL A 25 8.858 -6.214 -3.062 1.00 0.00 C ATOM 395 CG2 VAL A 25 10.971 -7.580 -3.186 1.00 0.00 C ATOM 0 H VAL A 25 9.257 -5.580 -6.472 1.00 0.00 H new ATOM 0 HA VAL A 25 10.370 -7.632 -5.856 1.00 0.00 H new ATOM 0 HB VAL A 25 10.608 -5.728 -4.197 1.00 0.00 H new ATOM 0 HG11 VAL A 25 9.226 -5.748 -2.148 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.232 -5.505 -3.604 1.00 0.00 H new ATOM 0 HG13 VAL A 25 8.271 -7.096 -2.808 1.00 0.00 H new ATOM 0 HG21 VAL A 25 11.319 -7.102 -2.270 1.00 0.00 H new ATOM 0 HG22 VAL A 25 10.428 -8.491 -2.936 1.00 0.00 H new ATOM 0 HG23 VAL A 25 11.827 -7.828 -3.813 1.00 0.00 H new ATOM 405 N CYS A 26 8.522 -8.987 -3.757 1.00 0.00 N ATOM 406 CA CYS A 26 7.733 -10.236 -3.525 1.00 0.00 C ATOM 407 C CYS A 26 6.500 -10.268 -4.433 1.00 0.00 C ATOM 408 O CYS A 26 5.978 -11.320 -4.746 1.00 0.00 O ATOM 409 CB CYS A 26 7.327 -10.204 -2.046 1.00 0.00 C ATOM 410 SG CYS A 26 6.732 -8.555 -1.596 1.00 0.00 S ATOM 0 H CYS A 26 8.869 -8.526 -2.916 1.00 0.00 H new ATOM 0 HA CYS A 26 8.313 -11.129 -3.756 1.00 0.00 H new ATOM 0 HB2 CYS A 26 6.548 -10.943 -1.859 1.00 0.00 H new ATOM 0 HB3 CYS A 26 8.179 -10.474 -1.422 1.00 0.00 H new ATOM 415 N GLY A 27 6.032 -9.129 -4.867 1.00 0.00 N ATOM 416 CA GLY A 27 4.841 -9.106 -5.759 1.00 0.00 C ATOM 417 C GLY A 27 3.585 -9.344 -4.927 1.00 0.00 C ATOM 418 O GLY A 27 2.810 -10.240 -5.197 1.00 0.00 O ATOM 0 H GLY A 27 6.424 -8.215 -4.642 1.00 0.00 H new ATOM 0 HA2 GLY A 27 4.775 -8.147 -6.272 1.00 0.00 H new ATOM 0 HA3 GLY A 27 4.933 -9.873 -6.528 1.00 0.00 H new ATOM 422 N HIS A 28 3.382 -8.553 -3.912 1.00 0.00 N ATOM 423 CA HIS A 28 2.179 -8.739 -3.059 1.00 0.00 C ATOM 424 C HIS A 28 1.034 -7.851 -3.550 1.00 0.00 C ATOM 425 O HIS A 28 0.228 -8.260 -4.359 1.00 0.00 O ATOM 426 CB HIS A 28 2.632 -8.343 -1.650 1.00 0.00 C ATOM 427 CG HIS A 28 2.722 -9.586 -0.819 1.00 0.00 C ATOM 428 ND1 HIS A 28 3.848 -9.913 -0.072 1.00 0.00 N ATOM 429 CD2 HIS A 28 1.847 -10.633 -0.661 1.00 0.00 C ATOM 430 CE1 HIS A 28 3.616 -11.123 0.482 1.00 0.00 C ATOM 431 NE2 HIS A 28 2.414 -11.598 0.157 1.00 0.00 N ATOM 0 H HIS A 28 3.997 -7.787 -3.637 1.00 0.00 H new ATOM 0 HA HIS A 28 1.801 -9.761 -3.085 1.00 0.00 H new ATOM 0 HB2 HIS A 28 3.599 -7.841 -1.689 1.00 0.00 H new ATOM 0 HB3 HIS A 28 1.926 -7.640 -1.207 1.00 0.00 H new ATOM 0 HD2 HIS A 28 0.865 -10.695 -1.107 1.00 0.00 H new ATOM 0 HE1 HIS A 28 4.321 -11.644 1.113 1.00 0.00 H new ATOM 0 HE2 HIS A 28 1.999 -12.483 0.448 1.00 0.00 H new ATOM 439 N THR A 29 0.960 -6.642 -3.071 1.00 0.00 N ATOM 440 CA THR A 29 -0.128 -5.722 -3.509 1.00 0.00 C ATOM 441 C THR A 29 -0.026 -4.420 -2.712 1.00 0.00 C ATOM 442 O THR A 29 0.355 -4.417 -1.559 1.00 0.00 O ATOM 443 CB THR A 29 -1.441 -6.468 -3.203 1.00 0.00 C ATOM 444 OG1 THR A 29 -1.825 -7.226 -4.342 1.00 0.00 O ATOM 445 CG2 THR A 29 -2.558 -5.474 -2.866 1.00 0.00 C ATOM 0 H THR A 29 1.610 -6.248 -2.391 1.00 0.00 H new ATOM 0 HA THR A 29 -0.070 -5.461 -4.566 1.00 0.00 H new ATOM 0 HB THR A 29 -1.280 -7.125 -2.348 1.00 0.00 H new ATOM 0 HG1 THR A 29 -1.030 -7.627 -4.752 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.478 -6.019 -2.653 1.00 0.00 H new ATOM 0 HG22 THR A 29 -2.272 -4.888 -1.992 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.719 -4.807 -3.713 1.00 0.00 H new ATOM 453 N LEU A 30 -0.355 -3.316 -3.318 1.00 0.00 N ATOM 454 CA LEU A 30 -0.264 -2.021 -2.589 1.00 0.00 C ATOM 455 C LEU A 30 -1.280 -1.034 -3.124 1.00 0.00 C ATOM 456 O LEU A 30 -1.018 -0.313 -4.054 1.00 0.00 O ATOM 457 CB LEU A 30 1.137 -1.504 -2.880 1.00 0.00 C ATOM 458 CG LEU A 30 1.782 -1.073 -1.583 1.00 0.00 C ATOM 459 CD1 LEU A 30 2.315 -2.307 -0.865 1.00 0.00 C ATOM 460 CD2 LEU A 30 2.935 -0.118 -1.859 1.00 0.00 C ATOM 0 H LEU A 30 -0.682 -3.253 -4.282 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.458 -2.147 -1.524 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.734 -2.282 -3.357 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.092 -0.665 -3.575 1.00 0.00 H new ATOM 0 HG LEU A 30 1.042 -0.564 -0.965 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.783 -2.008 0.073 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.492 -2.991 -0.658 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.052 -2.805 -1.496 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.391 0.185 -0.916 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.680 -0.617 -2.479 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.561 0.763 -2.380 1.00 0.00 H new ATOM 472 N CYS A 31 -2.423 -0.963 -2.540 1.00 0.00 N ATOM 473 CA CYS A 31 -3.410 0.017 -3.037 1.00 0.00 C ATOM 474 C CYS A 31 -2.741 1.389 -3.121 1.00 0.00 C ATOM 475 O CYS A 31 -1.703 1.607 -2.529 1.00 0.00 O ATOM 476 CB CYS A 31 -4.530 -0.035 -2.000 1.00 0.00 C ATOM 477 SG CYS A 31 -4.430 1.351 -0.842 1.00 0.00 S ATOM 0 H CYS A 31 -2.721 -1.532 -1.748 1.00 0.00 H new ATOM 0 HA CYS A 31 -3.797 -0.191 -4.035 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -5.496 -0.019 -2.505 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -4.474 -0.974 -1.450 1.00 0.00 H new ATOM 482 N GLU A 32 -3.312 2.326 -3.822 1.00 0.00 N ATOM 483 CA GLU A 32 -2.647 3.661 -3.869 1.00 0.00 C ATOM 484 C GLU A 32 -2.550 4.178 -2.427 1.00 0.00 C ATOM 485 O GLU A 32 -1.578 4.791 -2.031 1.00 0.00 O ATOM 486 CB GLU A 32 -3.535 4.547 -4.774 1.00 0.00 C ATOM 487 CG GLU A 32 -4.225 5.664 -3.975 1.00 0.00 C ATOM 488 CD GLU A 32 -5.400 5.083 -3.196 1.00 0.00 C ATOM 489 OE1 GLU A 32 -5.450 3.873 -3.065 1.00 0.00 O ATOM 490 OE2 GLU A 32 -6.230 5.856 -2.745 1.00 0.00 O ATOM 0 H GLU A 32 -4.181 2.235 -4.349 1.00 0.00 H new ATOM 0 HA GLU A 32 -1.636 3.645 -4.277 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.925 4.987 -5.563 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.289 3.929 -5.261 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.515 6.127 -3.290 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -4.574 6.446 -4.650 1.00 0.00 H new ATOM 497 N SER A 33 -3.561 3.913 -1.645 1.00 0.00 N ATOM 498 CA SER A 33 -3.565 4.355 -0.220 1.00 0.00 C ATOM 499 C SER A 33 -2.509 3.594 0.603 1.00 0.00 C ATOM 500 O SER A 33 -2.188 3.990 1.705 1.00 0.00 O ATOM 501 CB SER A 33 -4.987 4.073 0.306 1.00 0.00 C ATOM 502 OG SER A 33 -5.928 4.391 -0.711 1.00 0.00 O ATOM 0 H SER A 33 -4.395 3.403 -1.936 1.00 0.00 H new ATOM 0 HA SER A 33 -3.311 5.412 -0.134 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.082 3.026 0.592 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.183 4.667 1.199 1.00 0.00 H new ATOM 0 HG SER A 33 -6.708 4.828 -0.310 1.00 0.00 H new ATOM 508 N CYS A 34 -1.936 2.526 0.087 1.00 0.00 N ATOM 509 CA CYS A 34 -0.892 1.814 0.889 1.00 0.00 C ATOM 510 C CYS A 34 0.448 2.499 0.657 1.00 0.00 C ATOM 511 O CYS A 34 1.054 3.027 1.565 1.00 0.00 O ATOM 512 CB CYS A 34 -0.840 0.356 0.398 1.00 0.00 C ATOM 513 SG CYS A 34 -2.094 -0.635 1.259 1.00 0.00 S ATOM 0 H CYS A 34 -2.141 2.128 -0.830 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.121 1.837 1.954 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -1.012 0.320 -0.678 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.151 -0.061 0.577 1.00 0.00 H new ATOM 518 N VAL A 35 0.903 2.520 -0.563 1.00 0.00 N ATOM 519 CA VAL A 35 2.190 3.200 -0.857 1.00 0.00 C ATOM 520 C VAL A 35 2.199 4.572 -0.154 1.00 0.00 C ATOM 521 O VAL A 35 3.237 5.117 0.157 1.00 0.00 O ATOM 522 CB VAL A 35 2.208 3.341 -2.397 1.00 0.00 C ATOM 523 CG1 VAL A 35 2.532 4.776 -2.796 1.00 0.00 C ATOM 524 CG2 VAL A 35 3.268 2.428 -3.006 1.00 0.00 C ATOM 0 H VAL A 35 0.440 2.096 -1.367 1.00 0.00 H new ATOM 0 HA VAL A 35 3.068 2.659 -0.504 1.00 0.00 H new ATOM 0 HB VAL A 35 1.221 3.063 -2.766 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.541 4.858 -3.883 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.776 5.447 -2.387 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.511 5.051 -2.403 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.266 2.541 -4.090 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.249 2.698 -2.615 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.047 1.392 -2.749 1.00 0.00 H new ATOM 534 N ASP A 36 1.041 5.138 0.080 1.00 0.00 N ATOM 535 CA ASP A 36 0.981 6.480 0.740 1.00 0.00 C ATOM 536 C ASP A 36 1.179 6.363 2.254 1.00 0.00 C ATOM 537 O ASP A 36 1.897 7.135 2.835 1.00 0.00 O ATOM 538 CB ASP A 36 -0.411 7.038 0.379 1.00 0.00 C ATOM 539 CG ASP A 36 -1.371 6.954 1.575 1.00 0.00 C ATOM 540 OD1 ASP A 36 -1.070 7.554 2.593 1.00 0.00 O ATOM 541 OD2 ASP A 36 -2.388 6.294 1.448 1.00 0.00 O ATOM 0 H ASP A 36 0.136 4.730 -0.157 1.00 0.00 H new ATOM 0 HA ASP A 36 1.776 7.143 0.400 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.317 8.075 0.057 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -0.823 6.479 -0.461 1.00 0.00 H new ATOM 546 N LEU A 37 0.545 5.418 2.893 1.00 0.00 N ATOM 547 CA LEU A 37 0.709 5.276 4.374 1.00 0.00 C ATOM 548 C LEU A 37 1.913 4.384 4.694 1.00 0.00 C ATOM 549 O LEU A 37 2.498 4.449 5.762 1.00 0.00 O ATOM 550 CB LEU A 37 -0.585 4.612 4.849 1.00 0.00 C ATOM 551 CG LEU A 37 -1.130 5.366 6.063 1.00 0.00 C ATOM 552 CD1 LEU A 37 -0.061 5.415 7.156 1.00 0.00 C ATOM 553 CD2 LEU A 37 -1.503 6.792 5.651 1.00 0.00 C ATOM 0 H LEU A 37 -0.079 4.738 2.458 1.00 0.00 H new ATOM 0 HA LEU A 37 0.885 6.234 4.863 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.322 4.613 4.046 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.397 3.570 5.109 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.014 4.853 6.442 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.450 5.952 8.021 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.206 4.400 7.449 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.823 5.928 6.777 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.892 7.331 6.515 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.619 7.304 5.272 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.265 6.758 4.872 1.00 0.00 H new ATOM 565 N LEU A 38 2.270 3.551 3.766 1.00 0.00 N ATOM 566 CA LEU A 38 3.411 2.612 3.958 1.00 0.00 C ATOM 567 C LEU A 38 4.728 3.359 4.162 1.00 0.00 C ATOM 568 O LEU A 38 5.491 3.062 5.052 1.00 0.00 O ATOM 569 CB LEU A 38 3.452 1.827 2.639 1.00 0.00 C ATOM 570 CG LEU A 38 4.186 0.492 2.812 1.00 0.00 C ATOM 571 CD1 LEU A 38 5.406 0.672 3.720 1.00 0.00 C ATOM 572 CD2 LEU A 38 3.235 -0.529 3.435 1.00 0.00 C ATOM 0 H LEU A 38 1.810 3.477 2.859 1.00 0.00 H new ATOM 0 HA LEU A 38 3.284 1.984 4.840 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.436 1.644 2.290 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.950 2.422 1.874 1.00 0.00 H new ATOM 0 HG LEU A 38 4.521 0.140 1.836 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.918 -0.283 3.835 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.087 1.398 3.275 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.082 1.030 4.697 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.753 -1.480 3.560 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.900 -0.168 4.407 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.373 -0.668 2.783 1.00 0.00 H new ATOM 584 N PHE A 39 5.015 4.287 3.303 1.00 0.00 N ATOM 585 CA PHE A 39 6.312 5.029 3.382 1.00 0.00 C ATOM 586 C PHE A 39 6.233 6.246 4.275 1.00 0.00 C ATOM 587 O PHE A 39 7.117 6.501 5.069 1.00 0.00 O ATOM 588 CB PHE A 39 6.544 5.491 1.955 1.00 0.00 C ATOM 589 CG PHE A 39 6.224 4.351 1.024 1.00 0.00 C ATOM 590 CD1 PHE A 39 6.423 3.034 1.460 1.00 0.00 C ATOM 591 CD2 PHE A 39 5.693 4.597 -0.242 1.00 0.00 C ATOM 592 CE1 PHE A 39 6.094 1.968 0.632 1.00 0.00 C ATOM 593 CE2 PHE A 39 5.353 3.525 -1.069 1.00 0.00 C ATOM 594 CZ PHE A 39 5.555 2.211 -0.628 1.00 0.00 C ATOM 0 H PHE A 39 4.404 4.572 2.537 1.00 0.00 H new ATOM 0 HA PHE A 39 7.099 4.398 3.795 1.00 0.00 H new ATOM 0 HB2 PHE A 39 5.915 6.352 1.729 1.00 0.00 H new ATOM 0 HB3 PHE A 39 7.578 5.808 1.823 1.00 0.00 H new ATOM 0 HD1 PHE A 39 6.833 2.847 2.442 1.00 0.00 H new ATOM 0 HD2 PHE A 39 5.546 5.612 -0.581 1.00 0.00 H new ATOM 0 HE1 PHE A 39 6.256 0.954 0.965 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.935 3.709 -2.048 1.00 0.00 H new ATOM 0 HZ PHE A 39 5.291 1.383 -1.269 1.00 0.00 H new ATOM 604 N VAL A 40 5.207 7.025 4.118 1.00 0.00 N ATOM 605 CA VAL A 40 5.098 8.259 4.931 1.00 0.00 C ATOM 606 C VAL A 40 5.547 7.988 6.361 1.00 0.00 C ATOM 607 O VAL A 40 6.087 8.852 7.023 1.00 0.00 O ATOM 608 CB VAL A 40 3.625 8.639 4.886 1.00 0.00 C ATOM 609 CG1 VAL A 40 3.276 9.163 3.493 1.00 0.00 C ATOM 610 CG2 VAL A 40 2.777 7.408 5.203 1.00 0.00 C ATOM 0 H VAL A 40 4.441 6.862 3.464 1.00 0.00 H new ATOM 0 HA VAL A 40 5.730 9.061 4.551 1.00 0.00 H new ATOM 0 HB VAL A 40 3.423 9.417 5.622 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.221 9.435 3.460 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.884 10.040 3.271 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.474 8.388 2.753 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.721 7.676 5.172 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.976 6.630 4.466 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.029 7.039 6.197 1.00 0.00 H new ATOM 620 N ARG A 41 5.315 6.800 6.863 1.00 0.00 N ATOM 621 CA ARG A 41 5.726 6.521 8.270 1.00 0.00 C ATOM 622 C ARG A 41 6.071 5.040 8.479 1.00 0.00 C ATOM 623 O ARG A 41 6.174 4.578 9.598 1.00 0.00 O ATOM 624 CB ARG A 41 4.509 6.915 9.115 1.00 0.00 C ATOM 625 CG ARG A 41 3.852 8.168 8.519 1.00 0.00 C ATOM 626 CD ARG A 41 2.624 8.554 9.347 1.00 0.00 C ATOM 627 NE ARG A 41 2.530 10.035 9.231 1.00 0.00 N ATOM 628 CZ ARG A 41 3.495 10.788 9.685 1.00 0.00 C ATOM 629 NH1 ARG A 41 3.514 11.138 10.942 1.00 0.00 N ATOM 630 NH2 ARG A 41 4.440 11.194 8.881 1.00 0.00 N ATOM 0 H ARG A 41 4.868 6.027 6.370 1.00 0.00 H new ATOM 0 HA ARG A 41 6.624 7.075 8.542 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.792 6.094 9.143 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.814 7.107 10.144 1.00 0.00 H new ATOM 0 HG2 ARG A 41 4.566 8.992 8.504 1.00 0.00 H new ATOM 0 HG3 ARG A 41 3.561 7.980 7.486 1.00 0.00 H new ATOM 0 HD2 ARG A 41 1.724 8.071 8.967 1.00 0.00 H new ATOM 0 HD3 ARG A 41 2.736 8.246 10.387 1.00 0.00 H new ATOM 0 HE ARG A 41 1.712 10.462 8.797 1.00 0.00 H new ATOM 0 HH11 ARG A 41 2.775 10.823 11.570 1.00 0.00 H new ATOM 0 HH12 ARG A 41 4.268 11.726 11.296 1.00 0.00 H new ATOM 0 HH21 ARG A 41 4.425 10.923 7.898 1.00 0.00 H new ATOM 0 HH22 ARG A 41 5.194 11.782 9.236 1.00 0.00 H new ATOM 644 N GLY A 42 6.253 4.284 7.428 1.00 0.00 N ATOM 645 CA GLY A 42 6.590 2.838 7.616 1.00 0.00 C ATOM 646 C GLY A 42 7.443 2.309 6.452 1.00 0.00 C ATOM 647 O GLY A 42 7.656 1.120 6.329 1.00 0.00 O ATOM 0 H GLY A 42 6.185 4.597 6.460 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.129 2.707 8.554 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.672 2.255 7.692 1.00 0.00 H new ATOM 651 N ALA A 43 7.928 3.168 5.595 1.00 0.00 N ATOM 652 CA ALA A 43 8.755 2.686 4.447 1.00 0.00 C ATOM 653 C ALA A 43 9.852 1.738 4.938 1.00 0.00 C ATOM 654 O ALA A 43 10.555 2.030 5.885 1.00 0.00 O ATOM 655 CB ALA A 43 9.379 3.948 3.849 1.00 0.00 C ATOM 0 H ALA A 43 7.789 4.178 5.638 1.00 0.00 H new ATOM 0 HA ALA A 43 8.159 2.135 3.719 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.003 3.677 2.998 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.589 4.623 3.519 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.990 4.444 4.603 1.00 0.00 H new ATOM 661 N GLY A 44 10.018 0.612 4.295 1.00 0.00 N ATOM 662 CA GLY A 44 11.086 -0.328 4.730 1.00 0.00 C ATOM 663 C GLY A 44 10.546 -1.757 4.854 1.00 0.00 C ATOM 664 O GLY A 44 11.305 -2.693 5.000 1.00 0.00 O ATOM 0 H GLY A 44 9.464 0.307 3.495 1.00 0.00 H new ATOM 0 HA2 GLY A 44 11.907 -0.307 4.014 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.491 -0.005 5.689 1.00 0.00 H new ATOM 668 N ASN A 45 9.252 -1.947 4.808 1.00 0.00 N ATOM 669 CA ASN A 45 8.718 -3.339 4.941 1.00 0.00 C ATOM 670 C ASN A 45 7.341 -3.494 4.277 1.00 0.00 C ATOM 671 O ASN A 45 6.416 -2.753 4.544 1.00 0.00 O ATOM 672 CB ASN A 45 8.608 -3.576 6.449 1.00 0.00 C ATOM 673 CG ASN A 45 9.649 -4.609 6.892 1.00 0.00 C ATOM 674 OD1 ASN A 45 9.421 -5.355 7.824 1.00 0.00 O ATOM 675 ND2 ASN A 45 10.791 -4.686 6.264 1.00 0.00 N ATOM 0 H ASN A 45 8.552 -1.215 4.687 1.00 0.00 H new ATOM 0 HA ASN A 45 9.370 -4.058 4.446 1.00 0.00 H new ATOM 0 HB2 ASN A 45 8.761 -2.639 6.985 1.00 0.00 H new ATOM 0 HB3 ASN A 45 7.606 -3.926 6.699 1.00 0.00 H new ATOM 0 HD21 ASN A 45 11.488 -5.371 6.556 1.00 0.00 H new ATOM 0 HD22 ASN A 45 10.986 -4.062 5.481 1.00 0.00 H new ATOM 682 N CYS A 46 7.207 -4.482 3.432 1.00 0.00 N ATOM 683 CA CYS A 46 5.901 -4.749 2.750 1.00 0.00 C ATOM 684 C CYS A 46 4.752 -4.607 3.751 1.00 0.00 C ATOM 685 O CYS A 46 4.894 -4.958 4.906 1.00 0.00 O ATOM 686 CB CYS A 46 6.029 -6.207 2.303 1.00 0.00 C ATOM 687 SG CYS A 46 4.828 -6.640 1.012 1.00 0.00 S ATOM 0 H CYS A 46 7.957 -5.126 3.180 1.00 0.00 H new ATOM 0 HA CYS A 46 5.695 -4.064 1.928 1.00 0.00 H new ATOM 0 HB2 CYS A 46 7.038 -6.383 1.931 1.00 0.00 H new ATOM 0 HB3 CYS A 46 5.887 -6.862 3.163 1.00 0.00 H new ATOM 692 N PRO A 47 3.643 -4.115 3.276 1.00 0.00 N ATOM 693 CA PRO A 47 2.451 -3.953 4.148 1.00 0.00 C ATOM 694 C PRO A 47 1.887 -5.315 4.530 1.00 0.00 C ATOM 695 O PRO A 47 0.963 -5.421 5.312 1.00 0.00 O ATOM 696 CB PRO A 47 1.471 -3.196 3.264 1.00 0.00 C ATOM 697 CG PRO A 47 1.888 -3.504 1.873 1.00 0.00 C ATOM 698 CD PRO A 47 3.384 -3.668 1.902 1.00 0.00 C ATOM 0 HA PRO A 47 2.667 -3.437 5.083 1.00 0.00 H new ATOM 0 HB2 PRO A 47 0.445 -3.516 3.448 1.00 0.00 H new ATOM 0 HB3 PRO A 47 1.510 -2.124 3.459 1.00 0.00 H new ATOM 0 HG2 PRO A 47 1.405 -4.413 1.515 1.00 0.00 H new ATOM 0 HG3 PRO A 47 1.599 -2.701 1.195 1.00 0.00 H new ATOM 0 HD2 PRO A 47 3.724 -4.400 1.169 1.00 0.00 H new ATOM 0 HD3 PRO A 47 3.897 -2.732 1.679 1.00 0.00 H new ATOM 706 N GLU A 48 2.422 -6.357 3.969 1.00 0.00 N ATOM 707 CA GLU A 48 1.902 -7.714 4.285 1.00 0.00 C ATOM 708 C GLU A 48 3.037 -8.666 4.696 1.00 0.00 C ATOM 709 O GLU A 48 2.889 -9.442 5.618 1.00 0.00 O ATOM 710 CB GLU A 48 1.209 -8.221 3.005 1.00 0.00 C ATOM 711 CG GLU A 48 1.482 -7.302 1.805 1.00 0.00 C ATOM 712 CD GLU A 48 0.530 -7.667 0.664 1.00 0.00 C ATOM 713 OE1 GLU A 48 0.039 -8.784 0.664 1.00 0.00 O ATOM 714 OE2 GLU A 48 0.309 -6.824 -0.188 1.00 0.00 O ATOM 0 H GLU A 48 3.196 -6.330 3.306 1.00 0.00 H new ATOM 0 HA GLU A 48 1.210 -7.675 5.126 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.558 -9.228 2.778 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.134 -8.287 3.175 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.343 -6.259 2.091 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.517 -7.408 1.479 1.00 0.00 H new ATOM 721 N CYS A 49 4.163 -8.628 4.029 1.00 0.00 N ATOM 722 CA CYS A 49 5.273 -9.555 4.413 1.00 0.00 C ATOM 723 C CYS A 49 6.534 -8.774 4.802 1.00 0.00 C ATOM 724 O CYS A 49 7.629 -9.300 4.795 1.00 0.00 O ATOM 725 CB CYS A 49 5.493 -10.447 3.182 1.00 0.00 C ATOM 726 SG CYS A 49 6.659 -9.697 2.008 1.00 0.00 S ATOM 0 H CYS A 49 4.361 -8.005 3.246 1.00 0.00 H new ATOM 0 HA CYS A 49 5.029 -10.153 5.291 1.00 0.00 H new ATOM 0 HB2 CYS A 49 5.871 -11.419 3.500 1.00 0.00 H new ATOM 0 HB3 CYS A 49 4.539 -10.623 2.685 1.00 0.00 H new ATOM 731 N GLY A 50 6.372 -7.530 5.164 1.00 0.00 N ATOM 732 CA GLY A 50 7.536 -6.692 5.586 1.00 0.00 C ATOM 733 C GLY A 50 8.786 -7.023 4.765 1.00 0.00 C ATOM 734 O GLY A 50 9.896 -6.856 5.231 1.00 0.00 O ATOM 0 H GLY A 50 5.472 -7.051 5.186 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.289 -5.637 5.468 1.00 0.00 H new ATOM 0 HA3 GLY A 50 7.740 -6.855 6.644 1.00 0.00 H new ATOM 738 N THR A 51 8.632 -7.476 3.551 1.00 0.00 N ATOM 739 CA THR A 51 9.837 -7.790 2.730 1.00 0.00 C ATOM 740 C THR A 51 10.836 -6.633 2.853 1.00 0.00 C ATOM 741 O THR A 51 10.451 -5.502 3.074 1.00 0.00 O ATOM 742 CB THR A 51 9.306 -7.958 1.294 1.00 0.00 C ATOM 743 OG1 THR A 51 9.168 -9.342 1.011 1.00 0.00 O ATOM 744 CG2 THR A 51 10.264 -7.337 0.273 1.00 0.00 C ATOM 0 H THR A 51 7.735 -7.641 3.095 1.00 0.00 H new ATOM 0 HA THR A 51 10.364 -8.690 3.047 1.00 0.00 H new ATOM 0 HB THR A 51 8.344 -7.451 1.221 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.453 -9.719 1.565 1.00 0.00 H new ATOM 0 HG21 THR A 51 9.862 -7.471 -0.731 1.00 0.00 H new ATOM 0 HG22 THR A 51 10.376 -6.273 0.480 1.00 0.00 H new ATOM 0 HG23 THR A 51 11.236 -7.825 0.343 1.00 0.00 H new ATOM 752 N PRO A 52 12.090 -6.961 2.722 1.00 0.00 N ATOM 753 CA PRO A 52 13.161 -5.942 2.840 1.00 0.00 C ATOM 754 C PRO A 52 13.132 -4.963 1.662 1.00 0.00 C ATOM 755 O PRO A 52 14.053 -4.902 0.873 1.00 0.00 O ATOM 756 CB PRO A 52 14.444 -6.772 2.835 1.00 0.00 C ATOM 757 CG PRO A 52 14.076 -8.040 2.136 1.00 0.00 C ATOM 758 CD PRO A 52 12.627 -8.299 2.452 1.00 0.00 C ATOM 0 HA PRO A 52 13.058 -5.323 3.731 1.00 0.00 H new ATOM 0 HB2 PRO A 52 15.249 -6.253 2.315 1.00 0.00 H new ATOM 0 HB3 PRO A 52 14.793 -6.966 3.849 1.00 0.00 H new ATOM 0 HG2 PRO A 52 14.228 -7.948 1.061 1.00 0.00 H new ATOM 0 HG3 PRO A 52 14.701 -8.866 2.477 1.00 0.00 H new ATOM 0 HD2 PRO A 52 12.114 -8.777 1.617 1.00 0.00 H new ATOM 0 HD3 PRO A 52 12.516 -8.957 3.314 1.00 0.00 H new ATOM 766 N LEU A 53 12.089 -4.183 1.545 1.00 0.00 N ATOM 767 CA LEU A 53 12.024 -3.199 0.429 1.00 0.00 C ATOM 768 C LEU A 53 13.143 -2.166 0.599 1.00 0.00 C ATOM 769 O LEU A 53 14.135 -2.198 -0.100 1.00 0.00 O ATOM 770 CB LEU A 53 10.646 -2.546 0.558 1.00 0.00 C ATOM 771 CG LEU A 53 9.564 -3.627 0.516 1.00 0.00 C ATOM 772 CD1 LEU A 53 8.385 -3.205 1.392 1.00 0.00 C ATOM 773 CD2 LEU A 53 9.084 -3.812 -0.924 1.00 0.00 C ATOM 0 H LEU A 53 11.284 -4.186 2.172 1.00 0.00 H new ATOM 0 HA LEU A 53 12.155 -3.656 -0.552 1.00 0.00 H new ATOM 0 HB2 LEU A 53 10.582 -1.988 1.492 1.00 0.00 H new ATOM 0 HB3 LEU A 53 10.493 -1.832 -0.251 1.00 0.00 H new ATOM 0 HG LEU A 53 9.976 -4.565 0.887 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.615 -3.976 1.361 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.724 -3.072 2.419 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.974 -2.266 1.021 1.00 0.00 H new ATOM 0 HD21 LEU A 53 8.313 -4.582 -0.954 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.673 -2.873 -1.294 1.00 0.00 H new ATOM 0 HD23 LEU A 53 9.923 -4.113 -1.551 1.00 0.00 H new ATOM 785 N ARG A 54 12.996 -1.269 1.545 1.00 0.00 N ATOM 786 CA ARG A 54 14.052 -0.235 1.805 1.00 0.00 C ATOM 787 C ARG A 54 14.014 0.891 0.762 1.00 0.00 C ATOM 788 O ARG A 54 14.998 1.566 0.539 1.00 0.00 O ATOM 789 CB ARG A 54 15.388 -0.981 1.740 1.00 0.00 C ATOM 790 CG ARG A 54 16.240 -0.613 2.956 1.00 0.00 C ATOM 791 CD ARG A 54 17.526 0.074 2.489 1.00 0.00 C ATOM 792 NE ARG A 54 18.620 -0.865 2.863 1.00 0.00 N ATOM 793 CZ ARG A 54 19.553 -1.157 1.999 1.00 0.00 C ATOM 794 NH1 ARG A 54 19.952 -0.258 1.140 1.00 0.00 N ATOM 795 NH2 ARG A 54 20.090 -2.346 1.993 1.00 0.00 N ATOM 0 H ARG A 54 12.181 -1.208 2.155 1.00 0.00 H new ATOM 0 HA ARG A 54 13.897 0.243 2.772 1.00 0.00 H new ATOM 0 HB2 ARG A 54 15.215 -2.057 1.717 1.00 0.00 H new ATOM 0 HB3 ARG A 54 15.916 -0.723 0.822 1.00 0.00 H new ATOM 0 HG2 ARG A 54 15.681 0.049 3.618 1.00 0.00 H new ATOM 0 HG3 ARG A 54 16.481 -1.508 3.529 1.00 0.00 H new ATOM 0 HD2 ARG A 54 17.510 0.254 1.414 1.00 0.00 H new ATOM 0 HD3 ARG A 54 17.654 1.043 2.972 1.00 0.00 H new ATOM 0 HE ARG A 54 18.640 -1.280 3.795 1.00 0.00 H new ATOM 0 HH11 ARG A 54 19.534 0.673 1.145 1.00 0.00 H new ATOM 0 HH12 ARG A 54 20.681 -0.486 0.465 1.00 0.00 H new ATOM 0 HH21 ARG A 54 19.781 -3.049 2.664 1.00 0.00 H new ATOM 0 HH22 ARG A 54 20.819 -2.573 1.317 1.00 0.00 H new ATOM 809 N LYS A 55 12.891 1.116 0.136 1.00 0.00 N ATOM 810 CA LYS A 55 12.817 2.219 -0.871 1.00 0.00 C ATOM 811 C LYS A 55 11.397 2.355 -1.426 1.00 0.00 C ATOM 812 O LYS A 55 11.198 2.799 -2.539 1.00 0.00 O ATOM 813 CB LYS A 55 13.794 1.825 -1.981 1.00 0.00 C ATOM 814 CG LYS A 55 13.262 0.605 -2.732 1.00 0.00 C ATOM 815 CD LYS A 55 14.069 -0.627 -2.326 1.00 0.00 C ATOM 816 CE LYS A 55 13.215 -1.883 -2.505 1.00 0.00 C ATOM 817 NZ LYS A 55 14.191 -3.005 -2.560 1.00 0.00 N ATOM 0 H LYS A 55 12.028 0.591 0.274 1.00 0.00 H new ATOM 0 HA LYS A 55 13.072 3.183 -0.430 1.00 0.00 H new ATOM 0 HB2 LYS A 55 13.929 2.658 -2.671 1.00 0.00 H new ATOM 0 HB3 LYS A 55 14.772 1.603 -1.555 1.00 0.00 H new ATOM 0 HG2 LYS A 55 12.207 0.454 -2.504 1.00 0.00 H new ATOM 0 HG3 LYS A 55 13.336 0.765 -3.808 1.00 0.00 H new ATOM 0 HD2 LYS A 55 14.971 -0.699 -2.933 1.00 0.00 H new ATOM 0 HD3 LYS A 55 14.390 -0.538 -1.288 1.00 0.00 H new ATOM 0 HE2 LYS A 55 12.517 -2.007 -1.677 1.00 0.00 H new ATOM 0 HE3 LYS A 55 12.622 -1.830 -3.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 13.721 -3.856 -2.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 14.982 -2.747 -3.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 14.553 -3.198 -1.604 1.00 0.00 H new ATOM 831 N SER A 56 10.409 1.984 -0.656 1.00 0.00 N ATOM 832 CA SER A 56 8.999 2.097 -1.133 1.00 0.00 C ATOM 833 C SER A 56 8.896 1.707 -2.613 1.00 0.00 C ATOM 834 O SER A 56 8.474 2.490 -3.441 1.00 0.00 O ATOM 835 CB SER A 56 8.638 3.569 -0.943 1.00 0.00 C ATOM 836 OG SER A 56 9.736 4.378 -1.343 1.00 0.00 O ATOM 0 H SER A 56 10.518 1.607 0.285 1.00 0.00 H new ATOM 0 HA SER A 56 8.328 1.433 -0.588 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.755 3.818 -1.532 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.390 3.763 0.101 1.00 0.00 H new ATOM 0 HG SER A 56 10.074 4.066 -2.208 1.00 0.00 H new ATOM 842 N ASN A 57 9.283 0.507 -2.955 1.00 0.00 N ATOM 843 CA ASN A 57 9.209 0.079 -4.384 1.00 0.00 C ATOM 844 C ASN A 57 7.851 -0.568 -4.681 1.00 0.00 C ATOM 845 O ASN A 57 7.538 -1.623 -4.177 1.00 0.00 O ATOM 846 CB ASN A 57 10.342 -0.938 -4.554 1.00 0.00 C ATOM 847 CG ASN A 57 10.179 -2.072 -3.548 1.00 0.00 C ATOM 848 OD1 ASN A 57 10.253 -1.860 -2.353 1.00 0.00 O ATOM 849 ND2 ASN A 57 9.962 -3.280 -3.986 1.00 0.00 N ATOM 0 H ASN A 57 9.646 -0.194 -2.309 1.00 0.00 H new ATOM 0 HA ASN A 57 9.311 0.920 -5.070 1.00 0.00 H new ATOM 0 HB2 ASN A 57 10.335 -1.337 -5.568 1.00 0.00 H new ATOM 0 HB3 ASN A 57 11.306 -0.449 -4.410 1.00 0.00 H new ATOM 0 HD21 ASN A 57 9.854 -4.050 -3.326 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.900 -3.455 -4.989 1.00 0.00 H new ATOM 856 N PHE A 58 7.042 0.071 -5.488 1.00 0.00 N ATOM 857 CA PHE A 58 5.695 -0.491 -5.835 1.00 0.00 C ATOM 858 C PHE A 58 5.256 0.092 -7.191 1.00 0.00 C ATOM 859 O PHE A 58 5.410 1.271 -7.440 1.00 0.00 O ATOM 860 CB PHE A 58 4.752 -0.069 -4.693 1.00 0.00 C ATOM 861 CG PHE A 58 5.261 -0.665 -3.401 1.00 0.00 C ATOM 862 CD1 PHE A 58 6.203 0.011 -2.622 1.00 0.00 C ATOM 863 CD2 PHE A 58 4.785 -1.917 -2.991 1.00 0.00 C ATOM 864 CE1 PHE A 58 6.669 -0.564 -1.432 1.00 0.00 C ATOM 865 CE2 PHE A 58 5.250 -2.489 -1.802 1.00 0.00 C ATOM 866 CZ PHE A 58 6.191 -1.813 -1.023 1.00 0.00 C ATOM 0 H PHE A 58 7.257 0.966 -5.927 1.00 0.00 H new ATOM 0 HA PHE A 58 5.695 -1.577 -5.933 1.00 0.00 H new ATOM 0 HB2 PHE A 58 4.712 1.018 -4.618 1.00 0.00 H new ATOM 0 HB3 PHE A 58 3.737 -0.413 -4.894 1.00 0.00 H new ATOM 0 HD1 PHE A 58 6.572 0.976 -2.937 1.00 0.00 H new ATOM 0 HD2 PHE A 58 4.058 -2.441 -3.594 1.00 0.00 H new ATOM 0 HE1 PHE A 58 7.398 -0.042 -0.830 1.00 0.00 H new ATOM 0 HE2 PHE A 58 4.881 -3.454 -1.487 1.00 0.00 H new ATOM 0 HZ PHE A 58 6.550 -2.254 -0.105 1.00 0.00 H new ATOM 876 N ARG A 59 4.725 -0.717 -8.076 1.00 0.00 N ATOM 877 CA ARG A 59 4.302 -0.187 -9.407 1.00 0.00 C ATOM 878 C ARG A 59 2.788 -0.114 -9.451 1.00 0.00 C ATOM 879 O ARG A 59 2.107 -1.117 -9.439 1.00 0.00 O ATOM 880 CB ARG A 59 4.838 -1.171 -10.456 1.00 0.00 C ATOM 881 CG ARG A 59 4.707 -2.610 -9.956 1.00 0.00 C ATOM 882 CD ARG A 59 4.456 -3.543 -11.143 1.00 0.00 C ATOM 883 NE ARG A 59 5.452 -3.134 -12.172 1.00 0.00 N ATOM 884 CZ ARG A 59 6.728 -3.281 -11.941 1.00 0.00 C ATOM 885 NH1 ARG A 59 7.221 -4.471 -11.728 1.00 0.00 N ATOM 886 NH2 ARG A 59 7.514 -2.239 -11.926 1.00 0.00 N ATOM 0 H ARG A 59 4.568 -1.715 -7.934 1.00 0.00 H new ATOM 0 HA ARG A 59 4.689 0.814 -9.596 1.00 0.00 H new ATOM 0 HB2 ARG A 59 4.288 -1.052 -11.389 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.883 -0.948 -10.672 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.615 -2.908 -9.432 1.00 0.00 H new ATOM 0 HG3 ARG A 59 3.887 -2.685 -9.242 1.00 0.00 H new ATOM 0 HD2 ARG A 59 4.588 -4.587 -10.859 1.00 0.00 H new ATOM 0 HD3 ARG A 59 3.437 -3.441 -11.517 1.00 0.00 H new ATOM 0 HE ARG A 59 5.137 -2.739 -13.058 1.00 0.00 H new ATOM 0 HH11 ARG A 59 6.609 -5.287 -11.742 1.00 0.00 H new ATOM 0 HH12 ARG A 59 8.218 -4.585 -11.548 1.00 0.00 H new ATOM 0 HH21 ARG A 59 7.131 -1.309 -12.095 1.00 0.00 H new ATOM 0 HH22 ARG A 59 8.511 -2.355 -11.745 1.00 0.00 H new ATOM 900 N VAL A 60 2.264 1.073 -9.459 1.00 0.00 N ATOM 901 CA VAL A 60 0.790 1.251 -9.438 1.00 0.00 C ATOM 902 C VAL A 60 0.184 1.220 -10.840 1.00 0.00 C ATOM 903 O VAL A 60 0.751 1.703 -11.800 1.00 0.00 O ATOM 904 CB VAL A 60 0.614 2.620 -8.798 1.00 0.00 C ATOM 905 CG1 VAL A 60 1.194 3.692 -9.723 1.00 0.00 C ATOM 906 CG2 VAL A 60 -0.874 2.897 -8.566 1.00 0.00 C ATOM 0 H VAL A 60 2.800 1.940 -9.479 1.00 0.00 H new ATOM 0 HA VAL A 60 0.284 0.450 -8.899 1.00 0.00 H new ATOM 0 HB VAL A 60 1.136 2.640 -7.841 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.069 4.674 -9.266 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.255 3.499 -9.883 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.672 3.668 -10.680 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.994 3.879 -8.108 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.401 2.875 -9.520 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.287 2.135 -7.905 1.00 0.00 H new ATOM 916 N GLN A 61 -0.980 0.638 -10.943 1.00 0.00 N ATOM 917 CA GLN A 61 -1.680 0.534 -12.251 1.00 0.00 C ATOM 918 C GLN A 61 -2.993 -0.229 -12.051 1.00 0.00 C ATOM 919 O GLN A 61 -3.277 -0.710 -10.970 1.00 0.00 O ATOM 920 CB GLN A 61 -0.729 -0.255 -13.152 1.00 0.00 C ATOM 921 CG GLN A 61 -0.328 -1.557 -12.454 1.00 0.00 C ATOM 922 CD GLN A 61 1.024 -2.030 -12.992 1.00 0.00 C ATOM 923 OE1 GLN A 61 1.774 -1.255 -13.549 1.00 0.00 O ATOM 924 NE2 GLN A 61 1.368 -3.279 -12.844 1.00 0.00 N ATOM 0 H GLN A 61 -1.483 0.223 -10.159 1.00 0.00 H new ATOM 0 HA GLN A 61 -1.922 1.505 -12.684 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -1.211 -0.474 -14.105 1.00 0.00 H new ATOM 0 HB3 GLN A 61 0.157 0.340 -13.373 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -0.268 -1.401 -11.377 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -1.086 -2.321 -12.624 1.00 0.00 H new ATOM 0 HE21 GLN A 61 0.737 -3.930 -12.376 1.00 0.00 H new ATOM 0 HE22 GLN A 61 2.268 -3.605 -13.196 1.00 0.00 H new ATOM 933 N LEU A 62 -3.798 -0.345 -13.070 1.00 0.00 N ATOM 934 CA LEU A 62 -5.084 -1.082 -12.909 1.00 0.00 C ATOM 935 C LEU A 62 -5.573 -1.605 -14.261 1.00 0.00 C ATOM 936 O LEU A 62 -5.646 -0.878 -15.232 1.00 0.00 O ATOM 937 CB LEU A 62 -6.060 -0.052 -12.339 1.00 0.00 C ATOM 938 CG LEU A 62 -6.762 -0.633 -11.109 1.00 0.00 C ATOM 939 CD1 LEU A 62 -5.721 -1.011 -10.051 1.00 0.00 C ATOM 940 CD2 LEU A 62 -7.715 0.411 -10.527 1.00 0.00 C ATOM 0 H LEU A 62 -3.624 0.035 -14.001 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.984 -1.951 -12.258 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.526 0.859 -12.069 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.796 0.223 -13.094 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.323 -1.521 -11.401 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -6.224 -1.424 -9.177 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.038 -1.755 -10.462 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.159 -0.124 -9.760 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.216 -0.002 -9.651 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.151 1.298 -10.238 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -8.459 0.682 -11.276 1.00 0.00 H new ATOM 952 N PHE A 63 -5.909 -2.864 -14.328 1.00 0.00 N ATOM 953 CA PHE A 63 -6.395 -3.444 -15.613 1.00 0.00 C ATOM 954 C PHE A 63 -7.919 -3.593 -15.579 1.00 0.00 C ATOM 955 O PHE A 63 -8.602 -3.314 -16.544 1.00 0.00 O ATOM 956 CB PHE A 63 -5.724 -4.814 -15.703 1.00 0.00 C ATOM 957 CG PHE A 63 -5.489 -5.167 -17.153 1.00 0.00 C ATOM 958 CD1 PHE A 63 -4.727 -4.319 -17.965 1.00 0.00 C ATOM 959 CD2 PHE A 63 -6.031 -6.343 -17.683 1.00 0.00 C ATOM 960 CE1 PHE A 63 -4.506 -4.648 -19.308 1.00 0.00 C ATOM 961 CE2 PHE A 63 -5.812 -6.673 -19.026 1.00 0.00 C ATOM 962 CZ PHE A 63 -5.049 -5.825 -19.839 1.00 0.00 C ATOM 0 H PHE A 63 -5.868 -3.518 -13.546 1.00 0.00 H new ATOM 0 HA PHE A 63 -6.156 -2.815 -16.471 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -4.777 -4.803 -15.163 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -6.352 -5.570 -15.231 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.309 -3.411 -17.556 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -6.619 -6.997 -17.056 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -3.917 -3.994 -19.934 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -6.231 -7.581 -19.435 1.00 0.00 H new ATOM 0 HZ PHE A 63 -4.879 -6.079 -20.875 1.00 0.00 H new ATOM 972 N GLU A 64 -8.456 -4.028 -14.472 1.00 0.00 N ATOM 973 CA GLU A 64 -9.934 -4.195 -14.374 1.00 0.00 C ATOM 974 C GLU A 64 -10.466 -4.929 -15.608 1.00 0.00 C ATOM 975 O GLU A 64 -11.158 -4.361 -16.431 1.00 0.00 O ATOM 976 CB GLU A 64 -10.490 -2.773 -14.314 1.00 0.00 C ATOM 977 CG GLU A 64 -11.961 -2.817 -13.895 1.00 0.00 C ATOM 978 CD GLU A 64 -12.087 -2.409 -12.427 1.00 0.00 C ATOM 979 OE1 GLU A 64 -11.138 -2.621 -11.690 1.00 0.00 O ATOM 980 OE2 GLU A 64 -13.130 -1.891 -12.063 1.00 0.00 O ATOM 0 H GLU A 64 -7.935 -4.275 -13.631 1.00 0.00 H new ATOM 0 HA GLU A 64 -10.227 -4.783 -13.504 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -9.917 -2.177 -13.604 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -10.392 -2.292 -15.287 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -12.549 -2.146 -14.521 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -12.361 -3.820 -14.040 1.00 0.00 H new ATOM 987 N ASP A 65 -10.149 -6.189 -15.744 1.00 0.00 N ATOM 988 CA ASP A 65 -10.638 -6.957 -16.926 1.00 0.00 C ATOM 989 C ASP A 65 -12.007 -7.573 -16.625 1.00 0.00 C ATOM 990 O ASP A 65 -12.099 -8.327 -15.670 1.00 0.00 O ATOM 991 CB ASP A 65 -9.593 -8.052 -17.145 1.00 0.00 C ATOM 992 CG ASP A 65 -9.679 -8.559 -18.585 1.00 0.00 C ATOM 993 OD1 ASP A 65 -10.783 -8.819 -19.036 1.00 0.00 O ATOM 994 OD2 ASP A 65 -8.640 -8.678 -19.213 1.00 0.00 O ATOM 995 OXT ASP A 65 -12.939 -7.279 -17.356 1.00 0.00 O ATOM 0 H ASP A 65 -9.574 -6.719 -15.089 1.00 0.00 H new ATOM 0 HA ASP A 65 -10.760 -6.328 -17.808 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -8.595 -7.662 -16.945 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -9.760 -8.874 -16.448 1.00 0.00 H new TER 1000 ASP A 65 HETATM 1001 ZN ZN A 66 -4.068 0.539 1.270 1.00 0.00 ZN HETATM 1002 ZN ZN A 67 5.439 -8.745 0.304 1.00 0.00 ZN