USER MOD reduce.3.24.130724 H: found=0, std=0, add=394, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 394 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 Set 1.1: A 29 GLN : amide:sc= 0.376 K(o=0.75,f=-1.2) USER MOD Set 1.2: A 30 THR OG1 : rot -58:sc= 0.37 USER MOD Single : A 1 ASP N :NH3+ 179:sc= -7.98! (180deg=-8.08!) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 9.5e-05 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc=-0.00177 USER MOD Single : A 22 ASN : amide:sc= -4.6! C(o=-4.6!,f=-4.6!) USER MOD Single : A 24 LYS NZ :NH3+ -176:sc= 1.26 (180deg=1.14) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -10.1! C(o=-10!,f=-12!) USER MOD Single : A 42 ASN :FLIP amide:sc= -0.299! F(o=-1.1,f=-0.3!) USER MOD Single : A 44 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0391) USER MOD Single : A 45 SER OG : rot -10:sc= 0.891 USER MOD Single : A 50 MET CE :methyl 172:sc= 0 (180deg=-0.0463) USER MOD Single : A 52 THR OG1 : rot 158:sc= -0.39 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -3.311 7.744 3.340 1.00 0.00 N ATOM 2 CA ASP A 1 -2.218 6.755 3.480 1.00 0.00 C ATOM 3 C ASP A 1 -2.769 5.360 3.401 1.00 0.00 C ATOM 4 O ASP A 1 -2.141 4.452 2.846 1.00 0.00 O ATOM 5 CB ASP A 1 -1.498 6.979 4.819 1.00 0.00 C ATOM 6 CG ASP A 1 -0.760 8.306 4.879 1.00 0.00 C ATOM 7 OD1 ASP A 1 0.155 8.517 4.054 1.00 0.00 O ATOM 8 OD2 ASP A 1 -1.098 9.133 5.750 1.00 0.00 O ATOM 0 H1 ASP A 1 -2.921 8.705 3.413 1.00 0.00 H new ATOM 0 H2 ASP A 1 -3.770 7.626 2.414 1.00 0.00 H new ATOM 0 H3 ASP A 1 -4.011 7.596 4.094 1.00 0.00 H new ATOM 0 HA ASP A 1 -1.503 6.884 2.667 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -2.226 6.937 5.629 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -0.790 6.167 4.985 1.00 0.00 H new ATOM 15 N PHE A 2 -3.940 5.206 3.991 1.00 0.00 N ATOM 16 CA PHE A 2 -4.621 3.954 4.056 1.00 0.00 C ATOM 17 C PHE A 2 -6.062 4.076 3.617 1.00 0.00 C ATOM 18 O PHE A 2 -6.702 3.066 3.307 1.00 0.00 O ATOM 19 CB PHE A 2 -4.580 3.488 5.483 1.00 0.00 C ATOM 20 CG PHE A 2 -3.258 3.014 5.979 1.00 0.00 C ATOM 21 CD1 PHE A 2 -2.210 3.894 6.198 1.00 0.00 C ATOM 22 CD2 PHE A 2 -3.087 1.682 6.255 1.00 0.00 C ATOM 23 CE1 PHE A 2 -1.005 3.437 6.678 1.00 0.00 C ATOM 24 CE2 PHE A 2 -1.899 1.215 6.739 1.00 0.00 C ATOM 25 CZ PHE A 2 -0.846 2.091 6.955 1.00 0.00 C ATOM 0 H PHE A 2 -4.442 5.970 4.443 1.00 0.00 H new ATOM 0 HA PHE A 2 -4.131 3.247 3.386 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -4.913 4.307 6.121 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -5.301 2.679 5.601 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -2.340 4.946 5.990 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -3.902 0.994 6.087 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -0.188 4.125 6.838 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -1.779 0.163 6.954 1.00 0.00 H new ATOM 0 HZ PHE A 2 0.095 1.724 7.338 1.00 0.00 H new ATOM 35 N CYS A 3 -6.592 5.306 3.641 1.00 0.00 N ATOM 36 CA CYS A 3 -7.988 5.520 3.295 1.00 0.00 C ATOM 37 C CYS A 3 -8.248 6.798 2.489 1.00 0.00 C ATOM 38 O CYS A 3 -9.281 6.879 1.824 1.00 0.00 O ATOM 39 CB CYS A 3 -8.825 5.561 4.567 1.00 0.00 C ATOM 40 SG CYS A 3 -8.269 4.441 5.887 1.00 0.00 S ATOM 0 H CYS A 3 -6.078 6.150 3.893 1.00 0.00 H new ATOM 0 HA CYS A 3 -8.270 4.685 2.654 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -8.825 6.581 4.952 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -9.857 5.316 4.314 1.00 0.00 H new ATOM 45 N LEU A 4 -7.352 7.803 2.541 1.00 0.00 N ATOM 46 CA LEU A 4 -7.581 9.048 1.796 1.00 0.00 C ATOM 47 C LEU A 4 -6.283 9.712 1.371 1.00 0.00 C ATOM 48 O LEU A 4 -6.085 10.025 0.196 1.00 0.00 O ATOM 49 CB LEU A 4 -8.429 10.046 2.613 1.00 0.00 C ATOM 50 CG LEU A 4 -8.222 9.995 4.130 1.00 0.00 C ATOM 51 CD1 LEU A 4 -8.287 11.392 4.727 1.00 0.00 C ATOM 52 CD2 LEU A 4 -9.284 9.103 4.755 1.00 0.00 C ATOM 0 H LEU A 4 -6.485 7.777 3.078 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.129 8.767 0.897 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.206 11.055 2.267 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.482 9.861 2.400 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.235 9.583 4.340 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -8.138 11.334 5.805 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -7.508 12.013 4.285 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -9.262 11.832 4.519 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -9.138 9.065 5.835 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.273 9.506 4.536 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.203 8.097 4.343 1.00 0.00 H new ATOM 64 N GLU A 5 -5.416 9.923 2.354 1.00 0.00 N ATOM 65 CA GLU A 5 -4.113 10.556 2.176 1.00 0.00 C ATOM 66 C GLU A 5 -3.248 9.835 1.110 1.00 0.00 C ATOM 67 O GLU A 5 -3.550 8.694 0.755 1.00 0.00 O ATOM 68 CB GLU A 5 -3.430 10.570 3.535 1.00 0.00 C ATOM 69 CG GLU A 5 -3.834 11.743 4.418 1.00 0.00 C ATOM 70 CD GLU A 5 -3.139 11.734 5.768 1.00 0.00 C ATOM 71 OE1 GLU A 5 -3.355 10.778 6.544 1.00 0.00 O ATOM 72 OE2 GLU A 5 -2.378 12.684 6.049 1.00 0.00 O ATOM 0 H GLU A 5 -5.603 9.653 3.320 1.00 0.00 H new ATOM 0 HA GLU A 5 -4.243 11.571 1.802 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -3.660 9.640 4.056 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -2.350 10.594 3.388 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -3.603 12.675 3.903 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -4.913 11.722 4.570 1.00 0.00 H new ATOM 79 N PRO A 6 -2.183 10.500 0.552 1.00 0.00 N ATOM 80 CA PRO A 6 -1.323 9.910 -0.509 1.00 0.00 C ATOM 81 C PRO A 6 -0.615 8.581 -0.132 1.00 0.00 C ATOM 82 O PRO A 6 0.357 8.581 0.631 1.00 0.00 O ATOM 83 CB PRO A 6 -0.286 11.010 -0.786 1.00 0.00 C ATOM 84 CG PRO A 6 -0.930 12.268 -0.328 1.00 0.00 C ATOM 85 CD PRO A 6 -1.755 11.887 0.866 1.00 0.00 C ATOM 0 HA PRO A 6 -1.934 9.627 -1.366 1.00 0.00 H new ATOM 0 HB2 PRO A 6 0.642 10.822 -0.246 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -0.035 11.058 -1.846 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -0.183 13.018 -0.066 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -1.552 12.698 -1.113 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -1.174 11.931 1.787 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -2.608 12.553 0.995 1.00 0.00 H new ATOM 93 N PRO A 7 -1.100 7.418 -0.685 1.00 0.00 N ATOM 94 CA PRO A 7 -0.515 6.072 -0.433 1.00 0.00 C ATOM 95 C PRO A 7 0.965 5.971 -0.836 1.00 0.00 C ATOM 96 O PRO A 7 1.373 6.527 -1.860 1.00 0.00 O ATOM 97 CB PRO A 7 -1.367 5.147 -1.309 1.00 0.00 C ATOM 98 CG PRO A 7 -2.634 5.875 -1.503 1.00 0.00 C ATOM 99 CD PRO A 7 -2.261 7.319 -1.597 1.00 0.00 C ATOM 0 HA PRO A 7 -0.530 5.824 0.628 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -0.878 4.943 -2.262 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.534 4.185 -0.824 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -3.142 5.542 -2.408 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -3.317 5.700 -0.672 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -2.000 7.604 -2.616 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -3.078 7.969 -1.284 1.00 0.00 H new ATOM 107 N TYR A 8 1.758 5.266 -0.010 1.00 0.00 N ATOM 108 CA TYR A 8 3.197 5.086 -0.245 1.00 0.00 C ATOM 109 C TYR A 8 3.473 4.011 -1.303 1.00 0.00 C ATOM 110 O TYR A 8 3.267 2.816 -1.063 1.00 0.00 O ATOM 111 CB TYR A 8 3.911 4.737 1.074 1.00 0.00 C ATOM 112 CG TYR A 8 3.996 5.884 2.071 1.00 0.00 C ATOM 113 CD1 TYR A 8 2.851 6.457 2.627 1.00 0.00 C ATOM 114 CD2 TYR A 8 5.230 6.393 2.455 1.00 0.00 C ATOM 115 CE1 TYR A 8 2.941 7.498 3.530 1.00 0.00 C ATOM 116 CE2 TYR A 8 5.325 7.434 3.359 1.00 0.00 C ATOM 117 CZ TYR A 8 4.179 7.983 3.893 1.00 0.00 C ATOM 118 OH TYR A 8 4.271 9.019 4.793 1.00 0.00 O ATOM 0 H TYR A 8 1.419 4.807 0.836 1.00 0.00 H new ATOM 0 HA TYR A 8 3.590 6.028 -0.627 1.00 0.00 H new ATOM 0 HB2 TYR A 8 3.391 3.902 1.544 1.00 0.00 H new ATOM 0 HB3 TYR A 8 4.921 4.395 0.846 1.00 0.00 H new ATOM 0 HD1 TYR A 8 1.879 6.080 2.346 1.00 0.00 H new ATOM 0 HD2 TYR A 8 6.132 5.968 2.040 1.00 0.00 H new ATOM 0 HE1 TYR A 8 2.045 7.930 3.950 1.00 0.00 H new ATOM 0 HE2 TYR A 8 6.294 7.816 3.646 1.00 0.00 H new ATOM 0 HH TYR A 8 5.214 9.240 4.942 1.00 0.00 H new ATOM 128 N THR A 9 3.925 4.456 -2.480 1.00 0.00 N ATOM 129 CA THR A 9 4.212 3.553 -3.604 1.00 0.00 C ATOM 130 C THR A 9 5.692 3.168 -3.710 1.00 0.00 C ATOM 131 O THR A 9 6.021 2.205 -4.410 1.00 0.00 O ATOM 132 CB THR A 9 3.749 4.180 -4.924 1.00 0.00 C ATOM 133 OG1 THR A 9 4.257 5.495 -5.067 1.00 0.00 O ATOM 134 CG2 THR A 9 2.242 4.244 -5.067 1.00 0.00 C ATOM 0 H THR A 9 4.101 5.440 -2.681 1.00 0.00 H new ATOM 0 HA THR A 9 3.656 2.636 -3.407 1.00 0.00 H new ATOM 0 HB THR A 9 4.139 3.524 -5.702 1.00 0.00 H new ATOM 0 HG1 THR A 9 3.950 5.874 -5.917 1.00 0.00 H new ATOM 0 HG21 THR A 9 1.986 4.699 -6.024 1.00 0.00 H new ATOM 0 HG22 THR A 9 1.829 3.236 -5.022 1.00 0.00 H new ATOM 0 HG23 THR A 9 1.825 4.843 -4.258 1.00 0.00 H new ATOM 142 N GLY A 10 6.581 3.911 -3.034 1.00 0.00 N ATOM 143 CA GLY A 10 8.005 3.596 -3.100 1.00 0.00 C ATOM 144 C GLY A 10 8.860 4.338 -2.075 1.00 0.00 C ATOM 145 O GLY A 10 9.736 5.112 -2.475 1.00 0.00 O ATOM 0 H GLY A 10 6.342 4.713 -2.451 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.135 2.523 -2.956 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.371 3.830 -4.099 1.00 0.00 H new ATOM 149 N PRO A 11 8.651 4.131 -0.737 1.00 0.00 N ATOM 150 CA PRO A 11 9.443 4.804 0.307 1.00 0.00 C ATOM 151 C PRO A 11 10.833 4.172 0.513 1.00 0.00 C ATOM 152 O PRO A 11 11.807 4.888 0.766 1.00 0.00 O ATOM 153 CB PRO A 11 8.588 4.653 1.578 1.00 0.00 C ATOM 154 CG PRO A 11 7.328 3.961 1.156 1.00 0.00 C ATOM 155 CD PRO A 11 7.643 3.246 -0.124 1.00 0.00 C ATOM 0 HA PRO A 11 9.648 5.840 0.038 1.00 0.00 H new ATOM 0 HB2 PRO A 11 9.116 4.073 2.335 1.00 0.00 H new ATOM 0 HB3 PRO A 11 8.369 5.626 2.017 1.00 0.00 H new ATOM 0 HG2 PRO A 11 6.996 3.259 1.921 1.00 0.00 H new ATOM 0 HG3 PRO A 11 6.521 4.679 1.011 1.00 0.00 H new ATOM 0 HD2 PRO A 11 8.035 2.245 0.055 1.00 0.00 H new ATOM 0 HD3 PRO A 11 6.762 3.135 -0.755 1.00 0.00 H new ATOM 163 N CYS A 12 10.916 2.834 0.394 1.00 0.00 N ATOM 164 CA CYS A 12 12.187 2.112 0.559 1.00 0.00 C ATOM 165 C CYS A 12 12.631 1.458 -0.765 1.00 0.00 C ATOM 166 O CYS A 12 13.712 1.767 -1.275 1.00 0.00 O ATOM 167 CB CYS A 12 12.077 1.050 1.667 1.00 0.00 C ATOM 168 SG CYS A 12 11.758 1.699 3.349 1.00 0.00 S ATOM 0 H CYS A 12 10.118 2.234 0.185 1.00 0.00 H new ATOM 0 HA CYS A 12 12.943 2.840 0.852 1.00 0.00 H new ATOM 0 HB2 CYS A 12 11.277 0.358 1.405 1.00 0.00 H new ATOM 0 HB3 CYS A 12 13.002 0.474 1.688 1.00 0.00 H new ATOM 173 N ARG A 13 11.786 0.561 -1.315 1.00 0.00 N ATOM 174 CA ARG A 13 12.068 -0.142 -2.577 1.00 0.00 C ATOM 175 C ARG A 13 11.731 0.742 -3.794 1.00 0.00 C ATOM 176 O ARG A 13 11.715 1.972 -3.684 1.00 0.00 O ATOM 177 CB ARG A 13 11.285 -1.473 -2.660 1.00 0.00 C ATOM 178 CG ARG A 13 11.735 -2.542 -1.672 1.00 0.00 C ATOM 179 CD ARG A 13 11.373 -3.953 -2.140 1.00 0.00 C ATOM 180 NE ARG A 13 9.919 -4.191 -2.269 1.00 0.00 N ATOM 181 CZ ARG A 13 9.381 -5.373 -2.613 1.00 0.00 C ATOM 182 NH1 ARG A 13 10.151 -6.434 -2.856 1.00 0.00 N ATOM 183 NH2 ARG A 13 8.067 -5.495 -2.714 1.00 0.00 N ATOM 0 H ARG A 13 10.892 0.307 -0.895 1.00 0.00 H new ATOM 0 HA ARG A 13 13.135 -0.364 -2.594 1.00 0.00 H new ATOM 0 HB2 ARG A 13 10.228 -1.267 -2.494 1.00 0.00 H new ATOM 0 HB3 ARG A 13 11.378 -1.870 -3.671 1.00 0.00 H new ATOM 0 HG2 ARG A 13 12.814 -2.473 -1.532 1.00 0.00 H new ATOM 0 HG3 ARG A 13 11.275 -2.354 -0.702 1.00 0.00 H new ATOM 0 HD2 ARG A 13 11.848 -4.138 -3.104 1.00 0.00 H new ATOM 0 HD3 ARG A 13 11.788 -4.675 -1.437 1.00 0.00 H new ATOM 0 HE ARG A 13 9.287 -3.411 -2.086 1.00 0.00 H new ATOM 0 HH11 ARG A 13 11.165 -6.356 -2.782 1.00 0.00 H new ATOM 0 HH12 ARG A 13 9.726 -7.324 -3.116 1.00 0.00 H new ATOM 0 HH21 ARG A 13 7.465 -4.692 -2.531 1.00 0.00 H new ATOM 0 HH22 ARG A 13 7.657 -6.392 -2.975 1.00 0.00 H new ATOM 197 N ALA A 14 11.465 0.103 -4.952 1.00 0.00 N ATOM 198 CA ALA A 14 11.132 0.806 -6.186 1.00 0.00 C ATOM 199 C ALA A 14 9.659 1.234 -6.223 1.00 0.00 C ATOM 200 O ALA A 14 9.339 2.383 -5.904 1.00 0.00 O ATOM 201 CB ALA A 14 11.501 -0.051 -7.396 1.00 0.00 C ATOM 0 H ALA A 14 11.478 -0.912 -5.047 1.00 0.00 H new ATOM 0 HA ALA A 14 11.720 1.723 -6.222 1.00 0.00 H new ATOM 0 HB1 ALA A 14 11.248 0.484 -8.311 1.00 0.00 H new ATOM 0 HB2 ALA A 14 12.571 -0.260 -7.381 1.00 0.00 H new ATOM 0 HB3 ALA A 14 10.948 -0.990 -7.359 1.00 0.00 H new ATOM 207 N ALA A 15 8.769 0.304 -6.608 1.00 0.00 N ATOM 208 CA ALA A 15 7.324 0.560 -6.688 1.00 0.00 C ATOM 209 C ALA A 15 6.548 -0.724 -6.982 1.00 0.00 C ATOM 210 O ALA A 15 6.715 -1.335 -8.043 1.00 0.00 O ATOM 211 CB ALA A 15 6.997 1.618 -7.747 1.00 0.00 C ATOM 0 H ALA A 15 9.032 -0.645 -6.872 1.00 0.00 H new ATOM 0 HA ALA A 15 7.016 0.940 -5.714 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.920 1.781 -7.778 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.498 2.552 -7.495 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.340 1.274 -8.723 1.00 0.00 H new ATOM 217 N ILE A 16 5.698 -1.117 -6.030 1.00 0.00 N ATOM 218 CA ILE A 16 4.874 -2.320 -6.159 1.00 0.00 C ATOM 219 C ILE A 16 3.401 -1.919 -5.956 1.00 0.00 C ATOM 220 O ILE A 16 3.117 -0.964 -5.219 1.00 0.00 O ATOM 221 CB ILE A 16 5.322 -3.422 -5.142 1.00 0.00 C ATOM 222 CG1 ILE A 16 6.852 -3.628 -5.181 1.00 0.00 C ATOM 223 CG2 ILE A 16 4.629 -4.757 -5.408 1.00 0.00 C ATOM 224 CD1 ILE A 16 7.622 -2.745 -4.216 1.00 0.00 C ATOM 0 H ILE A 16 5.562 -0.613 -5.153 1.00 0.00 H new ATOM 0 HA ILE A 16 4.997 -2.752 -7.152 1.00 0.00 H new ATOM 0 HB ILE A 16 5.030 -3.069 -4.153 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.073 -4.672 -4.957 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.208 -3.437 -6.194 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.968 -5.494 -4.680 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.550 -4.630 -5.321 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.874 -5.100 -6.413 1.00 0.00 H new ATOM 0 HD11 ILE A 16 8.689 -2.951 -4.306 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.434 -1.698 -4.452 1.00 0.00 H new ATOM 0 HD13 ILE A 16 7.297 -2.951 -3.196 1.00 0.00 H new ATOM 236 N ILE A 17 2.477 -2.611 -6.648 1.00 0.00 N ATOM 237 CA ILE A 17 1.040 -2.273 -6.595 1.00 0.00 C ATOM 238 C ILE A 17 0.117 -3.414 -6.130 1.00 0.00 C ATOM 239 O ILE A 17 0.430 -4.604 -6.203 1.00 0.00 O ATOM 240 CB ILE A 17 0.608 -1.773 -8.014 1.00 0.00 C ATOM 241 CG1 ILE A 17 -0.731 -1.027 -8.017 1.00 0.00 C ATOM 242 CG2 ILE A 17 0.580 -2.898 -9.053 1.00 0.00 C ATOM 243 CD1 ILE A 17 -0.580 0.458 -7.816 1.00 0.00 C ATOM 0 H ILE A 17 2.697 -3.405 -7.249 1.00 0.00 H new ATOM 0 HA ILE A 17 0.924 -1.501 -5.835 1.00 0.00 H new ATOM 0 HB ILE A 17 1.382 -1.060 -8.298 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -1.240 -1.210 -8.963 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.367 -1.431 -7.230 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.274 -2.494 -10.018 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.574 -3.336 -9.142 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -0.128 -3.665 -8.740 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.563 0.929 -7.828 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.098 0.648 -6.857 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.031 0.873 -8.617 1.00 0.00 H new ATOM 255 N ARG A 18 -1.053 -2.942 -5.702 1.00 0.00 N ATOM 256 CA ARG A 18 -2.213 -3.720 -5.226 1.00 0.00 C ATOM 257 C ARG A 18 -3.316 -2.716 -4.835 1.00 0.00 C ATOM 258 O ARG A 18 -3.368 -1.656 -5.441 1.00 0.00 O ATOM 259 CB ARG A 18 -1.888 -4.727 -4.101 1.00 0.00 C ATOM 260 CG ARG A 18 -1.654 -6.141 -4.619 1.00 0.00 C ATOM 261 CD ARG A 18 -1.526 -7.162 -3.488 1.00 0.00 C ATOM 262 NE ARG A 18 -0.230 -7.103 -2.789 1.00 0.00 N ATOM 263 CZ ARG A 18 0.950 -7.502 -3.301 1.00 0.00 C ATOM 264 NH1 ARG A 18 1.031 -8.003 -4.532 1.00 0.00 N ATOM 265 NH2 ARG A 18 2.051 -7.397 -2.568 1.00 0.00 N ATOM 0 H ARG A 18 -1.235 -1.939 -5.674 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.558 -4.365 -6.034 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.001 -4.391 -3.565 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.709 -4.740 -3.384 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.479 -6.427 -5.272 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -0.748 -6.158 -5.225 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.327 -6.997 -2.767 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.665 -8.163 -3.895 1.00 0.00 H new ATOM 0 HE ARG A 18 -0.226 -6.729 -1.840 1.00 0.00 H new ATOM 0 HH11 ARG A 18 0.191 -8.090 -5.104 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.933 -8.300 -4.903 1.00 0.00 H new ATOM 0 HH21 ARG A 18 2.000 -7.016 -1.623 1.00 0.00 H new ATOM 0 HH22 ARG A 18 2.948 -7.697 -2.949 1.00 0.00 H new ATOM 279 N TYR A 19 -4.221 -3.034 -3.890 1.00 0.00 N ATOM 280 CA TYR A 19 -5.330 -2.113 -3.563 1.00 0.00 C ATOM 281 C TYR A 19 -5.164 -1.271 -2.294 1.00 0.00 C ATOM 282 O TYR A 19 -4.719 -1.759 -1.249 1.00 0.00 O ATOM 283 CB TYR A 19 -6.645 -2.916 -3.480 1.00 0.00 C ATOM 284 CG TYR A 19 -7.170 -3.483 -4.803 1.00 0.00 C ATOM 285 CD1 TYR A 19 -6.352 -3.648 -5.925 1.00 0.00 C ATOM 286 CD2 TYR A 19 -8.506 -3.852 -4.919 1.00 0.00 C ATOM 287 CE1 TYR A 19 -6.849 -4.159 -7.107 1.00 0.00 C ATOM 288 CE2 TYR A 19 -9.009 -4.365 -6.101 1.00 0.00 C ATOM 289 CZ TYR A 19 -8.177 -4.516 -7.190 1.00 0.00 C ATOM 290 OH TYR A 19 -8.676 -5.026 -8.367 1.00 0.00 O ATOM 0 H TYR A 19 -4.210 -3.899 -3.350 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.338 -1.385 -4.374 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -6.499 -3.743 -2.785 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -7.414 -2.273 -3.053 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.310 -3.370 -5.866 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -9.163 -3.736 -4.070 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -6.200 -4.278 -7.962 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -10.049 -4.646 -6.171 1.00 0.00 H new ATOM 0 HH TYR A 19 -9.629 -5.228 -8.258 1.00 0.00 H new ATOM 300 N PHE A 20 -5.598 0.006 -2.423 1.00 0.00 N ATOM 301 CA PHE A 20 -5.601 0.989 -1.332 1.00 0.00 C ATOM 302 C PHE A 20 -7.026 1.565 -1.195 1.00 0.00 C ATOM 303 O PHE A 20 -7.916 1.161 -1.939 1.00 0.00 O ATOM 304 CB PHE A 20 -4.495 2.060 -1.575 1.00 0.00 C ATOM 305 CG PHE A 20 -4.819 3.364 -2.265 1.00 0.00 C ATOM 306 CD1 PHE A 20 -5.585 4.332 -1.650 1.00 0.00 C ATOM 307 CD2 PHE A 20 -4.293 3.632 -3.506 1.00 0.00 C ATOM 308 CE1 PHE A 20 -5.836 5.537 -2.268 1.00 0.00 C ATOM 309 CE2 PHE A 20 -4.535 4.834 -4.139 1.00 0.00 C ATOM 310 CZ PHE A 20 -5.313 5.791 -3.517 1.00 0.00 C ATOM 0 H PHE A 20 -5.959 0.379 -3.301 1.00 0.00 H new ATOM 0 HA PHE A 20 -5.351 0.528 -0.377 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -4.071 2.309 -0.602 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.705 1.580 -2.153 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -5.994 4.142 -0.669 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.680 2.889 -3.994 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -6.442 6.282 -1.774 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -4.118 5.026 -5.117 1.00 0.00 H new ATOM 0 HZ PHE A 20 -5.510 6.733 -4.007 1.00 0.00 H new ATOM 320 N TYR A 21 -7.249 2.492 -0.257 1.00 0.00 N ATOM 321 CA TYR A 21 -8.565 3.100 -0.080 1.00 0.00 C ATOM 322 C TYR A 21 -8.483 4.600 -0.432 1.00 0.00 C ATOM 323 O TYR A 21 -7.838 5.362 0.283 1.00 0.00 O ATOM 324 CB TYR A 21 -9.040 2.917 1.375 1.00 0.00 C ATOM 325 CG TYR A 21 -10.547 2.909 1.555 1.00 0.00 C ATOM 326 CD1 TYR A 21 -11.297 1.789 1.214 1.00 0.00 C ATOM 327 CD2 TYR A 21 -11.215 4.009 2.077 1.00 0.00 C ATOM 328 CE1 TYR A 21 -12.666 1.765 1.386 1.00 0.00 C ATOM 329 CE2 TYR A 21 -12.588 3.993 2.250 1.00 0.00 C ATOM 330 CZ TYR A 21 -13.307 2.868 1.904 1.00 0.00 C ATOM 331 OH TYR A 21 -14.671 2.845 2.082 1.00 0.00 O ATOM 0 H TYR A 21 -6.536 2.834 0.387 1.00 0.00 H new ATOM 0 HA TYR A 21 -9.283 2.614 -0.741 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -8.637 1.980 1.759 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -8.620 3.718 1.983 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -10.799 0.922 0.807 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -10.655 4.890 2.352 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -13.232 0.886 1.116 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -13.094 4.857 2.654 1.00 0.00 H new ATOM 0 HH TYR A 21 -14.966 3.701 2.457 1.00 0.00 H new ATOM 341 N ASN A 22 -9.115 5.016 -1.541 1.00 0.00 N ATOM 342 CA ASN A 22 -9.103 6.424 -1.965 1.00 0.00 C ATOM 343 C ASN A 22 -10.503 7.009 -1.715 1.00 0.00 C ATOM 344 O ASN A 22 -11.206 7.423 -2.643 1.00 0.00 O ATOM 345 CB ASN A 22 -8.695 6.536 -3.437 1.00 0.00 C ATOM 346 CG ASN A 22 -8.190 7.919 -3.809 1.00 0.00 C ATOM 347 OD1 ASN A 22 -7.205 8.401 -3.251 1.00 0.00 O ATOM 348 ND2 ASN A 22 -8.859 8.557 -4.758 1.00 0.00 N ATOM 0 H ASN A 22 -9.640 4.398 -2.159 1.00 0.00 H new ATOM 0 HA ASN A 22 -8.370 6.991 -1.391 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -7.918 5.802 -3.650 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -9.550 6.286 -4.065 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -8.563 9.487 -5.054 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -9.670 8.118 -5.193 1.00 0.00 H new ATOM 355 N ALA A 23 -10.905 6.950 -0.433 1.00 0.00 N ATOM 356 CA ALA A 23 -12.241 7.358 0.083 1.00 0.00 C ATOM 357 C ALA A 23 -12.792 8.727 -0.372 1.00 0.00 C ATOM 358 O ALA A 23 -13.709 9.270 0.261 1.00 0.00 O ATOM 359 CB ALA A 23 -12.194 7.310 1.603 1.00 0.00 C ATOM 0 H ALA A 23 -10.292 6.605 0.306 1.00 0.00 H new ATOM 0 HA ALA A 23 -12.941 6.646 -0.355 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -13.163 7.605 2.006 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -11.959 6.296 1.928 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.426 7.994 1.965 1.00 0.00 H new ATOM 365 N LYS A 24 -12.244 9.280 -1.437 1.00 0.00 N ATOM 366 CA LYS A 24 -12.673 10.573 -1.937 1.00 0.00 C ATOM 367 C LYS A 24 -13.142 10.548 -3.405 1.00 0.00 C ATOM 368 O LYS A 24 -14.175 11.137 -3.736 1.00 0.00 O ATOM 369 CB LYS A 24 -11.532 11.559 -1.712 1.00 0.00 C ATOM 370 CG LYS A 24 -10.251 11.271 -2.497 1.00 0.00 C ATOM 371 CD LYS A 24 -9.024 11.654 -1.700 1.00 0.00 C ATOM 372 CE LYS A 24 -7.749 11.295 -2.441 1.00 0.00 C ATOM 373 NZ LYS A 24 -6.540 11.853 -1.775 1.00 0.00 N ATOM 0 H LYS A 24 -11.494 8.849 -1.977 1.00 0.00 H new ATOM 0 HA LYS A 24 -13.560 10.885 -1.385 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.881 12.558 -1.973 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -11.291 11.573 -0.649 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -10.207 10.212 -2.751 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -10.265 11.824 -3.436 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -9.040 12.725 -1.497 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.041 11.146 -0.736 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.660 10.211 -2.504 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.806 11.670 -3.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.699 11.642 -2.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.642 12.883 -1.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.433 11.424 -0.834 1.00 0.00 H new ATOM 387 N ALA A 25 -12.364 9.886 -4.270 1.00 0.00 N ATOM 388 CA ALA A 25 -12.668 9.795 -5.706 1.00 0.00 C ATOM 389 C ALA A 25 -13.696 8.706 -6.005 1.00 0.00 C ATOM 390 O ALA A 25 -14.809 8.980 -6.464 1.00 0.00 O ATOM 391 CB ALA A 25 -11.381 9.527 -6.474 1.00 0.00 C ATOM 0 H ALA A 25 -11.510 9.400 -3.997 1.00 0.00 H new ATOM 0 HA ALA A 25 -13.102 10.743 -6.023 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.601 9.459 -7.539 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.677 10.341 -6.300 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.942 8.589 -6.133 1.00 0.00 H new ATOM 397 N GLY A 26 -13.288 7.482 -5.719 1.00 0.00 N ATOM 398 CA GLY A 26 -14.112 6.302 -5.914 1.00 0.00 C ATOM 399 C GLY A 26 -13.776 5.263 -4.874 1.00 0.00 C ATOM 400 O GLY A 26 -14.166 4.097 -4.977 1.00 0.00 O ATOM 0 H GLY A 26 -12.363 7.277 -5.340 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -15.167 6.569 -5.846 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -13.950 5.896 -6.912 1.00 0.00 H new ATOM 404 N LEU A 27 -13.027 5.728 -3.856 1.00 0.00 N ATOM 405 CA LEU A 27 -12.562 4.930 -2.720 1.00 0.00 C ATOM 406 C LEU A 27 -11.527 3.876 -3.147 1.00 0.00 C ATOM 407 O LEU A 27 -10.504 4.267 -3.708 1.00 0.00 O ATOM 408 CB LEU A 27 -13.744 4.416 -1.881 1.00 0.00 C ATOM 409 CG LEU A 27 -14.589 5.554 -1.269 1.00 0.00 C ATOM 410 CD1 LEU A 27 -15.752 5.919 -2.182 1.00 0.00 C ATOM 411 CD2 LEU A 27 -15.093 5.173 0.112 1.00 0.00 C ATOM 0 H LEU A 27 -12.723 6.700 -3.806 1.00 0.00 H new ATOM 0 HA LEU A 27 -12.005 5.570 -2.035 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.383 3.793 -2.507 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -13.365 3.781 -1.080 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.948 6.429 -1.168 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -16.332 6.723 -1.729 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -15.367 6.249 -3.147 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -16.390 5.047 -2.325 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -15.685 5.991 0.522 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -15.711 4.278 0.040 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -14.245 4.976 0.767 1.00 0.00 H new ATOM 423 N CYS A 28 -11.747 2.576 -2.886 1.00 0.00 N ATOM 424 CA CYS A 28 -10.782 1.519 -3.242 1.00 0.00 C ATOM 425 C CYS A 28 -9.980 1.823 -4.511 1.00 0.00 C ATOM 426 O CYS A 28 -10.530 1.995 -5.602 1.00 0.00 O ATOM 427 CB CYS A 28 -11.499 0.194 -3.356 1.00 0.00 C ATOM 428 SG CYS A 28 -12.224 -0.380 -1.790 1.00 0.00 S ATOM 0 H CYS A 28 -12.590 2.230 -2.427 1.00 0.00 H new ATOM 0 HA CYS A 28 -10.048 1.473 -2.438 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -12.289 0.281 -4.102 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -10.799 -0.558 -3.720 1.00 0.00 H new ATOM 433 N GLN A 29 -8.668 1.942 -4.298 1.00 0.00 N ATOM 434 CA GLN A 29 -7.707 2.290 -5.333 1.00 0.00 C ATOM 435 C GLN A 29 -6.525 1.293 -5.395 1.00 0.00 C ATOM 436 O GLN A 29 -6.726 0.091 -5.198 1.00 0.00 O ATOM 437 CB GLN A 29 -7.274 3.744 -5.093 1.00 0.00 C ATOM 438 CG GLN A 29 -7.486 4.664 -6.285 1.00 0.00 C ATOM 439 CD GLN A 29 -6.486 4.444 -7.409 1.00 0.00 C ATOM 440 OE1 GLN A 29 -6.413 3.360 -7.991 1.00 0.00 O ATOM 441 NE2 GLN A 29 -5.709 5.474 -7.719 1.00 0.00 N ATOM 0 H GLN A 29 -8.241 1.796 -3.383 1.00 0.00 H new ATOM 0 HA GLN A 29 -8.166 2.215 -6.319 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -7.826 4.140 -4.241 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -6.218 3.757 -4.822 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -8.494 4.516 -6.673 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -7.422 5.699 -5.950 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -5.802 6.354 -7.212 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -5.018 5.386 -8.464 1.00 0.00 H new ATOM 450 N THR A 30 -5.308 1.785 -5.721 1.00 0.00 N ATOM 451 CA THR A 30 -4.103 0.917 -5.879 1.00 0.00 C ATOM 452 C THR A 30 -2.771 1.617 -5.532 1.00 0.00 C ATOM 453 O THR A 30 -2.640 2.828 -5.729 1.00 0.00 O ATOM 454 CB THR A 30 -4.007 0.410 -7.333 1.00 0.00 C ATOM 455 OG1 THR A 30 -4.096 1.486 -8.250 1.00 0.00 O ATOM 456 CG2 THR A 30 -5.069 -0.607 -7.714 1.00 0.00 C ATOM 0 H THR A 30 -5.127 2.776 -5.881 1.00 0.00 H new ATOM 0 HA THR A 30 -4.240 0.100 -5.171 1.00 0.00 H new ATOM 0 HB THR A 30 -3.036 -0.083 -7.385 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.944 1.960 -8.117 1.00 0.00 H new ATOM 0 HG21 THR A 30 -4.928 -0.909 -8.752 1.00 0.00 H new ATOM 0 HG22 THR A 30 -4.985 -1.480 -7.067 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.057 -0.162 -7.597 1.00 0.00 H new ATOM 464 N PHE A 31 -1.766 0.820 -5.047 1.00 0.00 N ATOM 465 CA PHE A 31 -0.392 1.344 -4.693 1.00 0.00 C ATOM 466 C PHE A 31 0.500 0.310 -3.953 1.00 0.00 C ATOM 467 O PHE A 31 1.689 0.558 -3.751 1.00 0.00 O ATOM 468 CB PHE A 31 -0.490 2.545 -3.692 1.00 0.00 C ATOM 469 CG PHE A 31 -0.568 2.090 -2.247 1.00 0.00 C ATOM 470 CD1 PHE A 31 -1.621 1.304 -1.817 1.00 0.00 C ATOM 471 CD2 PHE A 31 0.430 2.407 -1.341 1.00 0.00 C ATOM 472 CE1 PHE A 31 -1.688 0.844 -0.530 1.00 0.00 C ATOM 473 CE2 PHE A 31 0.368 1.957 -0.036 1.00 0.00 C ATOM 474 CZ PHE A 31 -0.695 1.170 0.370 1.00 0.00 C ATOM 0 H PHE A 31 -1.875 -0.182 -4.891 1.00 0.00 H new ATOM 0 HA PHE A 31 0.042 1.612 -5.656 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.378 3.192 -3.820 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.371 3.142 -3.930 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.407 1.048 -2.512 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.266 3.013 -1.658 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.518 0.226 -0.219 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.147 2.219 0.665 1.00 0.00 H new ATOM 0 HZ PHE A 31 -0.747 0.812 1.388 1.00 0.00 H new ATOM 484 N VAL A 32 -0.163 -0.722 -3.408 1.00 0.00 N ATOM 485 CA VAL A 32 0.410 -1.734 -2.470 1.00 0.00 C ATOM 486 C VAL A 32 1.503 -1.162 -1.555 1.00 0.00 C ATOM 487 O VAL A 32 1.259 -0.945 -0.365 1.00 0.00 O ATOM 488 CB VAL A 32 0.813 -3.137 -3.057 1.00 0.00 C ATOM 489 CG1 VAL A 32 2.261 -3.263 -3.520 1.00 0.00 C ATOM 490 CG2 VAL A 32 0.533 -4.212 -2.017 1.00 0.00 C ATOM 0 H VAL A 32 -1.149 -0.892 -3.607 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.464 -1.970 -1.864 1.00 0.00 H new ATOM 0 HB VAL A 32 0.206 -3.259 -3.954 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.433 -4.268 -3.906 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.457 -2.533 -4.306 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.929 -3.078 -2.679 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.810 -5.187 -2.418 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.116 -4.010 -1.119 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.528 -4.210 -1.769 1.00 0.00 H new ATOM 500 N TYR A 33 2.698 -0.967 -2.122 1.00 0.00 N ATOM 501 CA TYR A 33 3.871 -0.480 -1.399 1.00 0.00 C ATOM 502 C TYR A 33 5.123 -0.508 -2.274 1.00 0.00 C ATOM 503 O TYR A 33 5.168 -1.197 -3.295 1.00 0.00 O ATOM 504 CB TYR A 33 4.001 -1.336 -0.122 1.00 0.00 C ATOM 505 CG TYR A 33 5.160 -2.272 0.019 1.00 0.00 C ATOM 506 CD1 TYR A 33 5.187 -3.444 -0.703 1.00 0.00 C ATOM 507 CD2 TYR A 33 6.158 -2.032 0.924 1.00 0.00 C ATOM 508 CE1 TYR A 33 6.202 -4.358 -0.538 1.00 0.00 C ATOM 509 CE2 TYR A 33 7.165 -2.940 1.112 1.00 0.00 C ATOM 510 CZ TYR A 33 7.192 -4.104 0.378 1.00 0.00 C ATOM 511 OH TYR A 33 8.206 -5.015 0.569 1.00 0.00 O ATOM 0 H TYR A 33 2.877 -1.146 -3.110 1.00 0.00 H new ATOM 0 HA TYR A 33 3.754 0.568 -1.122 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.026 -0.654 0.728 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.090 -1.927 -0.030 1.00 0.00 H new ATOM 0 HD1 TYR A 33 4.398 -3.649 -1.411 1.00 0.00 H new ATOM 0 HD2 TYR A 33 6.151 -1.116 1.496 1.00 0.00 H new ATOM 0 HE1 TYR A 33 6.220 -5.266 -1.123 1.00 0.00 H new ATOM 0 HE2 TYR A 33 7.940 -2.743 1.838 1.00 0.00 H new ATOM 0 HH TYR A 33 8.823 -4.679 1.252 1.00 0.00 H new ATOM 521 N GLY A 34 6.128 0.245 -1.844 1.00 0.00 N ATOM 522 CA GLY A 34 7.387 0.313 -2.544 1.00 0.00 C ATOM 523 C GLY A 34 8.539 0.298 -1.571 1.00 0.00 C ATOM 524 O GLY A 34 9.360 1.215 -1.566 1.00 0.00 O ATOM 0 H GLY A 34 6.085 0.820 -1.003 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.473 -0.529 -3.230 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.425 1.220 -3.147 1.00 0.00 H new ATOM 528 N GLY A 35 8.566 -0.741 -0.731 1.00 0.00 N ATOM 529 CA GLY A 35 9.598 -0.882 0.283 1.00 0.00 C ATOM 530 C GLY A 35 9.094 -0.499 1.659 1.00 0.00 C ATOM 531 O GLY A 35 8.015 0.089 1.776 1.00 0.00 O ATOM 0 H GLY A 35 7.880 -1.495 -0.739 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.952 -1.913 0.300 1.00 0.00 H new ATOM 0 HA3 GLY A 35 10.451 -0.256 0.022 1.00 0.00 H new ATOM 535 N CYS A 36 9.885 -0.836 2.700 1.00 0.00 N ATOM 536 CA CYS A 36 9.562 -0.541 4.116 1.00 0.00 C ATOM 537 C CYS A 36 8.653 -1.641 4.710 1.00 0.00 C ATOM 538 O CYS A 36 8.608 -2.755 4.177 1.00 0.00 O ATOM 539 CB CYS A 36 8.918 0.856 4.257 1.00 0.00 C ATOM 540 SG CYS A 36 9.783 2.196 3.354 1.00 0.00 S ATOM 0 H CYS A 36 10.773 -1.324 2.582 1.00 0.00 H new ATOM 0 HA CYS A 36 10.493 -0.533 4.683 1.00 0.00 H new ATOM 0 HB2 CYS A 36 7.889 0.804 3.902 1.00 0.00 H new ATOM 0 HB3 CYS A 36 8.878 1.117 5.315 1.00 0.00 H new ATOM 545 N ARG A 37 7.935 -1.330 5.814 1.00 0.00 N ATOM 546 CA ARG A 37 7.032 -2.287 6.484 1.00 0.00 C ATOM 547 C ARG A 37 5.719 -2.490 5.708 1.00 0.00 C ATOM 548 O ARG A 37 4.629 -2.550 6.290 1.00 0.00 O ATOM 549 CB ARG A 37 6.767 -1.846 7.945 1.00 0.00 C ATOM 550 CG ARG A 37 6.149 -0.454 8.099 1.00 0.00 C ATOM 551 CD ARG A 37 5.872 -0.109 9.558 1.00 0.00 C ATOM 552 NE ARG A 37 4.807 -0.939 10.138 1.00 0.00 N ATOM 553 CZ ARG A 37 4.367 -0.844 11.402 1.00 0.00 C ATOM 554 NH1 ARG A 37 4.885 0.044 12.248 1.00 0.00 N ATOM 555 NH2 ARG A 37 3.396 -1.646 11.819 1.00 0.00 N ATOM 0 H ARG A 37 7.967 -0.414 6.261 1.00 0.00 H new ATOM 0 HA ARG A 37 7.531 -3.256 6.502 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.106 -2.574 8.414 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.709 -1.871 8.493 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.821 0.290 7.672 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.219 -0.406 7.532 1.00 0.00 H new ATOM 0 HD2 ARG A 37 6.786 -0.237 10.139 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.592 0.942 9.633 1.00 0.00 H new ATOM 0 HE ARG A 37 4.371 -1.638 9.536 1.00 0.00 H new ATOM 0 HH11 ARG A 37 5.630 0.668 11.939 1.00 0.00 H new ATOM 0 HH12 ARG A 37 4.536 0.100 13.205 1.00 0.00 H new ATOM 0 HH21 ARG A 37 2.989 -2.329 11.180 1.00 0.00 H new ATOM 0 HH22 ARG A 37 3.056 -1.580 12.779 1.00 0.00 H new ATOM 569 N ALA A 38 5.851 -2.589 4.369 1.00 0.00 N ATOM 570 CA ALA A 38 4.723 -2.774 3.431 1.00 0.00 C ATOM 571 C ALA A 38 3.584 -1.758 3.667 1.00 0.00 C ATOM 572 O ALA A 38 2.445 -1.964 3.229 1.00 0.00 O ATOM 573 CB ALA A 38 4.209 -4.218 3.464 1.00 0.00 C ATOM 0 H ALA A 38 6.757 -2.542 3.902 1.00 0.00 H new ATOM 0 HA ALA A 38 5.107 -2.577 2.430 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.380 -4.325 2.765 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.013 -4.897 3.180 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.868 -4.460 4.471 1.00 0.00 H new ATOM 579 N LYS A 39 3.928 -0.649 4.371 1.00 0.00 N ATOM 580 CA LYS A 39 3.016 0.453 4.721 1.00 0.00 C ATOM 581 C LYS A 39 1.653 -0.053 5.234 1.00 0.00 C ATOM 582 O LYS A 39 0.634 0.616 5.070 1.00 0.00 O ATOM 583 CB LYS A 39 2.876 1.395 3.510 1.00 0.00 C ATOM 584 CG LYS A 39 2.249 2.771 3.794 1.00 0.00 C ATOM 585 CD LYS A 39 3.179 3.691 4.587 1.00 0.00 C ATOM 586 CE LYS A 39 2.970 3.567 6.093 1.00 0.00 C ATOM 587 NZ LYS A 39 3.879 4.466 6.856 1.00 0.00 N ATOM 0 H LYS A 39 4.876 -0.500 4.717 1.00 0.00 H new ATOM 0 HA LYS A 39 3.444 1.013 5.553 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.865 1.551 3.080 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.274 0.893 2.752 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.990 3.250 2.850 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.320 2.635 4.348 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.215 3.453 4.345 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.010 4.724 4.283 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.935 3.806 6.337 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.139 2.535 6.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.705 4.352 7.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.867 4.222 6.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.700 5.453 6.583 1.00 0.00 H new ATOM 601 N SER A 40 1.664 -1.250 5.867 1.00 0.00 N ATOM 602 CA SER A 40 0.454 -1.906 6.433 1.00 0.00 C ATOM 603 C SER A 40 -0.693 -2.069 5.398 1.00 0.00 C ATOM 604 O SER A 40 -1.155 -3.192 5.180 1.00 0.00 O ATOM 605 CB SER A 40 -0.024 -1.177 7.698 1.00 0.00 C ATOM 606 OG SER A 40 -1.097 -1.865 8.323 1.00 0.00 O ATOM 0 H SER A 40 2.516 -1.794 6.002 1.00 0.00 H new ATOM 0 HA SER A 40 0.749 -2.918 6.712 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.805 -1.081 8.399 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.340 -0.167 7.439 1.00 0.00 H new ATOM 0 HG SER A 40 -1.376 -1.376 9.125 1.00 0.00 H new ATOM 612 N ASN A 41 -1.119 -0.958 4.736 1.00 0.00 N ATOM 613 CA ASN A 41 -2.162 -0.992 3.702 1.00 0.00 C ATOM 614 C ASN A 41 -1.676 -1.907 2.583 1.00 0.00 C ATOM 615 O ASN A 41 -0.566 -1.725 2.073 1.00 0.00 O ATOM 616 CB ASN A 41 -2.435 0.428 3.160 1.00 0.00 C ATOM 617 CG ASN A 41 -3.593 0.501 2.163 1.00 0.00 C ATOM 618 OD1 ASN A 41 -3.707 -0.324 1.255 1.00 0.00 O ATOM 619 ND2 ASN A 41 -4.443 1.509 2.310 1.00 0.00 N ATOM 0 H ASN A 41 -0.745 -0.025 4.911 1.00 0.00 H new ATOM 0 HA ASN A 41 -3.096 -1.368 4.120 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -2.648 1.091 3.998 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -1.531 0.802 2.680 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -5.221 1.619 1.660 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -4.319 2.174 3.073 1.00 0.00 H new ATOM 626 N ASN A 42 -2.480 -2.918 2.254 1.00 0.00 N ATOM 627 CA ASN A 42 -2.112 -3.909 1.253 1.00 0.00 C ATOM 628 C ASN A 42 -3.328 -4.798 0.982 1.00 0.00 C ATOM 629 O ASN A 42 -3.492 -5.866 1.587 1.00 0.00 O ATOM 630 CB ASN A 42 -0.877 -4.695 1.789 1.00 0.00 C ATOM 631 CG ASN A 42 -0.482 -5.935 0.990 1.00 0.00 C ATOM 632 OD1 ASN A 42 0.773 -5.980 0.558 1.00 0.00 O flip ATOM 633 ND2 ASN A 42 -1.282 -6.848 0.783 1.00 0.00 N flip ATOM 0 H ASN A 42 -3.398 -3.069 2.673 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.828 -3.459 0.302 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.024 -4.018 1.819 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -1.080 -4.997 2.816 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -2.238 -6.777 1.131 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -0.988 -7.675 0.264 1.00 0.00 H new ATOM 640 N PHE A 43 -4.197 -4.319 0.093 1.00 0.00 N ATOM 641 CA PHE A 43 -5.415 -5.029 -0.246 1.00 0.00 C ATOM 642 C PHE A 43 -5.300 -5.659 -1.635 1.00 0.00 C ATOM 643 O PHE A 43 -4.292 -5.474 -2.327 1.00 0.00 O ATOM 644 CB PHE A 43 -6.644 -4.106 -0.191 1.00 0.00 C ATOM 645 CG PHE A 43 -6.606 -2.938 0.780 1.00 0.00 C ATOM 646 CD1 PHE A 43 -6.000 -3.035 2.028 1.00 0.00 C ATOM 647 CD2 PHE A 43 -7.195 -1.734 0.425 1.00 0.00 C ATOM 648 CE1 PHE A 43 -5.984 -1.959 2.889 1.00 0.00 C ATOM 649 CE2 PHE A 43 -7.182 -0.656 1.288 1.00 0.00 C ATOM 650 CZ PHE A 43 -6.576 -0.769 2.521 1.00 0.00 C ATOM 0 H PHE A 43 -4.073 -3.437 -0.404 1.00 0.00 H new ATOM 0 HA PHE A 43 -5.550 -5.816 0.496 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -6.808 -3.705 -1.191 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -7.512 -4.718 0.054 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -5.537 -3.964 2.326 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -7.671 -1.638 -0.540 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -5.507 -2.048 3.854 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -7.646 0.275 0.997 1.00 0.00 H new ATOM 0 HZ PHE A 43 -6.565 0.073 3.198 1.00 0.00 H new ATOM 660 N LYS A 44 -6.340 -6.405 -2.035 1.00 0.00 N ATOM 661 CA LYS A 44 -6.364 -7.075 -3.349 1.00 0.00 C ATOM 662 C LYS A 44 -7.790 -7.182 -3.920 1.00 0.00 C ATOM 663 O LYS A 44 -7.967 -7.590 -5.073 1.00 0.00 O ATOM 664 CB LYS A 44 -5.730 -8.477 -3.237 1.00 0.00 C ATOM 665 CG LYS A 44 -5.394 -9.162 -4.570 1.00 0.00 C ATOM 666 CD LYS A 44 -4.188 -8.533 -5.263 1.00 0.00 C ATOM 667 CE LYS A 44 -3.864 -9.222 -6.584 1.00 0.00 C ATOM 668 NZ LYS A 44 -3.374 -10.618 -6.389 1.00 0.00 N ATOM 0 H LYS A 44 -7.175 -6.561 -1.471 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.783 -6.464 -4.040 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.815 -8.397 -2.650 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.411 -9.121 -2.680 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.196 -10.219 -4.392 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.259 -9.107 -5.231 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.384 -7.476 -5.444 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.322 -8.588 -4.604 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.755 -9.236 -7.212 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.108 -8.645 -7.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.055 -11.004 -7.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.580 -10.617 -5.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.145 -11.207 -6.014 1.00 0.00 H new ATOM 682 N SER A 45 -8.798 -6.823 -3.111 1.00 0.00 N ATOM 683 CA SER A 45 -10.212 -6.890 -3.527 1.00 0.00 C ATOM 684 C SER A 45 -11.088 -5.990 -2.643 1.00 0.00 C ATOM 685 O SER A 45 -10.570 -5.176 -1.872 1.00 0.00 O ATOM 686 CB SER A 45 -10.723 -8.347 -3.468 1.00 0.00 C ATOM 687 OG SER A 45 -10.014 -9.178 -4.371 1.00 0.00 O ATOM 0 H SER A 45 -8.662 -6.481 -2.160 1.00 0.00 H new ATOM 0 HA SER A 45 -10.278 -6.533 -4.555 1.00 0.00 H new ATOM 0 HB2 SER A 45 -10.614 -8.732 -2.454 1.00 0.00 H new ATOM 0 HB3 SER A 45 -11.786 -8.372 -3.706 1.00 0.00 H new ATOM 0 HG SER A 45 -9.460 -8.624 -4.960 1.00 0.00 H new ATOM 693 N ALA A 46 -12.423 -6.149 -2.759 1.00 0.00 N ATOM 694 CA ALA A 46 -13.385 -5.372 -1.978 1.00 0.00 C ATOM 695 C ALA A 46 -13.387 -5.786 -0.507 1.00 0.00 C ATOM 696 O ALA A 46 -13.478 -4.940 0.387 1.00 0.00 O ATOM 697 CB ALA A 46 -14.780 -5.505 -2.572 1.00 0.00 C ATOM 0 H ALA A 46 -12.854 -6.819 -3.396 1.00 0.00 H new ATOM 0 HA ALA A 46 -13.079 -4.327 -2.023 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -15.485 -4.921 -1.980 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.775 -5.136 -3.598 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -15.080 -6.553 -2.564 1.00 0.00 H new ATOM 703 N GLU A 47 -13.258 -7.098 -0.275 1.00 0.00 N ATOM 704 CA GLU A 47 -13.218 -7.679 1.064 1.00 0.00 C ATOM 705 C GLU A 47 -11.992 -7.191 1.847 1.00 0.00 C ATOM 706 O GLU A 47 -12.081 -6.871 3.035 1.00 0.00 O ATOM 707 CB GLU A 47 -13.251 -9.216 0.969 1.00 0.00 C ATOM 708 CG GLU A 47 -12.174 -9.841 0.080 1.00 0.00 C ATOM 709 CD GLU A 47 -12.258 -11.355 0.027 1.00 0.00 C ATOM 710 OE1 GLU A 47 -12.090 -12.001 1.083 1.00 0.00 O ATOM 711 OE2 GLU A 47 -12.492 -11.897 -1.076 1.00 0.00 O ATOM 0 H GLU A 47 -13.178 -7.789 -1.021 1.00 0.00 H new ATOM 0 HA GLU A 47 -14.099 -7.348 1.614 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.153 -9.628 1.974 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -14.229 -9.519 0.594 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -12.267 -9.441 -0.930 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.191 -9.549 0.449 1.00 0.00 H new ATOM 718 N ASP A 48 -10.869 -7.106 1.129 1.00 0.00 N ATOM 719 CA ASP A 48 -9.590 -6.631 1.648 1.00 0.00 C ATOM 720 C ASP A 48 -9.690 -5.163 2.051 1.00 0.00 C ATOM 721 O ASP A 48 -9.481 -4.776 3.197 1.00 0.00 O ATOM 722 CB ASP A 48 -8.550 -6.761 0.552 1.00 0.00 C ATOM 723 CG ASP A 48 -8.220 -8.200 0.185 1.00 0.00 C ATOM 724 OD1 ASP A 48 -7.761 -8.950 1.072 1.00 0.00 O ATOM 725 OD2 ASP A 48 -8.425 -8.573 -0.988 1.00 0.00 O ATOM 0 H ASP A 48 -10.826 -7.373 0.146 1.00 0.00 H new ATOM 0 HA ASP A 48 -9.315 -7.222 2.522 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.907 -6.242 -0.338 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -7.636 -6.258 0.870 1.00 0.00 H new ATOM 730 N CYS A 49 -10.034 -4.373 1.050 1.00 0.00 N ATOM 731 CA CYS A 49 -10.227 -2.931 1.145 1.00 0.00 C ATOM 732 C CYS A 49 -11.176 -2.547 2.289 1.00 0.00 C ATOM 733 O CYS A 49 -10.971 -1.542 2.988 1.00 0.00 O ATOM 734 CB CYS A 49 -10.830 -2.512 -0.182 1.00 0.00 C ATOM 735 SG CYS A 49 -10.603 -0.765 -0.630 1.00 0.00 S ATOM 0 H CYS A 49 -10.194 -4.730 0.108 1.00 0.00 H new ATOM 0 HA CYS A 49 -9.279 -2.435 1.354 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -10.397 -3.130 -0.969 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -11.898 -2.727 -0.160 1.00 0.00 H new ATOM 740 N MET A 50 -12.217 -3.376 2.453 1.00 0.00 N ATOM 741 CA MET A 50 -13.241 -3.183 3.471 1.00 0.00 C ATOM 742 C MET A 50 -12.759 -3.504 4.886 1.00 0.00 C ATOM 743 O MET A 50 -12.977 -2.706 5.802 1.00 0.00 O ATOM 744 CB MET A 50 -14.463 -4.020 3.128 1.00 0.00 C ATOM 745 CG MET A 50 -15.403 -3.356 2.129 1.00 0.00 C ATOM 746 SD MET A 50 -16.854 -4.363 1.736 1.00 0.00 S ATOM 747 CE MET A 50 -17.820 -4.222 3.242 1.00 0.00 C ATOM 0 H MET A 50 -12.366 -4.203 1.875 1.00 0.00 H new ATOM 0 HA MET A 50 -13.496 -2.123 3.470 1.00 0.00 H new ATOM 0 HB2 MET A 50 -14.134 -4.977 2.723 1.00 0.00 H new ATOM 0 HB3 MET A 50 -15.014 -4.234 4.044 1.00 0.00 H new ATOM 0 HG2 MET A 50 -15.732 -2.398 2.531 1.00 0.00 H new ATOM 0 HG3 MET A 50 -14.856 -3.145 1.210 1.00 0.00 H new ATOM 0 HE1 MET A 50 -18.800 -4.673 3.089 1.00 0.00 H new ATOM 0 HE2 MET A 50 -17.306 -4.737 4.054 1.00 0.00 H new ATOM 0 HE3 MET A 50 -17.941 -3.170 3.499 1.00 0.00 H new ATOM 757 N ARG A 51 -12.112 -4.670 5.065 1.00 0.00 N ATOM 758 CA ARG A 51 -11.616 -5.095 6.386 1.00 0.00 C ATOM 759 C ARG A 51 -10.627 -4.101 7.007 1.00 0.00 C ATOM 760 O ARG A 51 -10.562 -3.970 8.233 1.00 0.00 O ATOM 761 CB ARG A 51 -11.013 -6.518 6.346 1.00 0.00 C ATOM 762 CG ARG A 51 -10.051 -6.830 5.200 1.00 0.00 C ATOM 763 CD ARG A 51 -8.641 -6.303 5.450 1.00 0.00 C ATOM 764 NE ARG A 51 -7.705 -6.643 4.360 1.00 0.00 N ATOM 765 CZ ARG A 51 -7.092 -7.832 4.212 1.00 0.00 C ATOM 766 NH1 ARG A 51 -7.296 -8.824 5.076 1.00 0.00 N ATOM 767 NH2 ARG A 51 -6.270 -8.022 3.189 1.00 0.00 N ATOM 0 H ARG A 51 -11.921 -5.333 4.314 1.00 0.00 H new ATOM 0 HA ARG A 51 -12.492 -5.115 7.035 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -10.488 -6.690 7.286 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -11.834 -7.233 6.304 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -10.009 -7.909 5.051 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -10.438 -6.395 4.278 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -8.678 -5.220 5.567 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -8.265 -6.713 6.387 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.508 -5.922 3.666 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -7.926 -8.690 5.867 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -6.822 -9.718 4.947 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -6.106 -7.270 2.520 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -5.802 -8.921 3.071 1.00 0.00 H new ATOM 781 N THR A 52 -9.868 -3.412 6.152 1.00 0.00 N ATOM 782 CA THR A 52 -8.886 -2.430 6.608 1.00 0.00 C ATOM 783 C THR A 52 -9.523 -1.048 6.852 1.00 0.00 C ATOM 784 O THR A 52 -9.370 -0.496 7.947 1.00 0.00 O ATOM 785 CB THR A 52 -7.712 -2.313 5.632 1.00 0.00 C ATOM 786 OG1 THR A 52 -7.312 -3.587 5.160 1.00 0.00 O ATOM 787 CG2 THR A 52 -6.471 -1.657 6.232 1.00 0.00 C ATOM 0 H THR A 52 -9.916 -3.517 5.139 1.00 0.00 H new ATOM 0 HA THR A 52 -8.502 -2.793 7.561 1.00 0.00 H new ATOM 0 HB THR A 52 -8.091 -1.683 4.828 1.00 0.00 H new ATOM 0 HG1 THR A 52 -6.835 -3.486 4.310 1.00 0.00 H new ATOM 0 HG21 THR A 52 -5.684 -1.611 5.479 1.00 0.00 H new ATOM 0 HG22 THR A 52 -6.717 -0.648 6.563 1.00 0.00 H new ATOM 0 HG23 THR A 52 -6.125 -2.243 7.083 1.00 0.00 H new ATOM 795 N CYS A 53 -10.217 -0.475 5.839 1.00 0.00 N ATOM 796 CA CYS A 53 -10.830 0.858 6.007 1.00 0.00 C ATOM 797 C CYS A 53 -12.217 0.985 5.362 1.00 0.00 C ATOM 798 O CYS A 53 -12.800 2.078 5.344 1.00 0.00 O ATOM 799 CB CYS A 53 -9.907 1.944 5.444 1.00 0.00 C ATOM 800 SG CYS A 53 -9.977 3.489 6.400 1.00 0.00 S ATOM 0 H CYS A 53 -10.362 -0.902 4.924 1.00 0.00 H new ATOM 0 HA CYS A 53 -10.965 0.990 7.080 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -8.882 1.574 5.434 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -10.183 2.149 4.409 1.00 0.00 H new ATOM 805 N GLY A 54 -12.746 -0.123 4.843 1.00 0.00 N ATOM 806 CA GLY A 54 -14.064 -0.108 4.206 1.00 0.00 C ATOM 807 C GLY A 54 -15.216 -0.148 5.201 1.00 0.00 C ATOM 808 O GLY A 54 -16.118 0.693 5.141 1.00 0.00 O ATOM 0 H GLY A 54 -12.288 -1.034 4.850 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -14.153 0.789 3.594 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -14.144 -0.962 3.534 1.00 0.00 H new