USER MOD reduce.3.24.130724 H: found=0, std=0, add=390, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 390 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 26 HIS HD1 : A 26 HIS ND1 : A 52 ZNZN :(H bumps) USER MOD Single : A 1 ALA N :NH3+ 137:sc= 0.0738 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -137:sc= 1.23 (180deg=0.296) USER MOD Single : A 14 LYS NZ :NH3+ 169:sc= 1.65 (180deg=1.47) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0308) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc=-0.00302 K(o=-0.003,f=-0.96) USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 4.284 9.666 -10.567 1.00 0.00 N ATOM 2 CA ALA A 1 4.843 8.518 -9.830 1.00 0.00 C ATOM 3 C ALA A 1 4.029 8.237 -8.568 1.00 0.00 C ATOM 4 O ALA A 1 3.393 9.141 -8.030 1.00 0.00 O ATOM 5 CB ALA A 1 6.314 8.758 -9.482 1.00 0.00 C ATOM 0 H1 ALA A 1 5.058 10.280 -10.892 1.00 0.00 H new ATOM 0 H2 ALA A 1 3.747 9.323 -11.389 1.00 0.00 H new ATOM 0 H3 ALA A 1 3.653 10.206 -9.941 1.00 0.00 H new ATOM 0 HA ALA A 1 4.786 7.642 -10.475 1.00 0.00 H new ATOM 0 HB1 ALA A 1 6.704 7.898 -8.939 1.00 0.00 H new ATOM 0 HB2 ALA A 1 6.887 8.898 -10.399 1.00 0.00 H new ATOM 0 HB3 ALA A 1 6.400 9.649 -8.860 1.00 0.00 H new ATOM 13 N ARG A 2 4.054 6.983 -8.103 1.00 0.00 N ATOM 14 CA ARG A 2 3.523 6.570 -6.813 1.00 0.00 C ATOM 15 C ARG A 2 4.253 5.295 -6.394 1.00 0.00 C ATOM 16 O ARG A 2 4.568 4.461 -7.241 1.00 0.00 O ATOM 17 CB ARG A 2 2.007 6.341 -6.926 1.00 0.00 C ATOM 18 CG ARG A 2 1.305 5.983 -5.606 1.00 0.00 C ATOM 19 CD ARG A 2 0.950 7.192 -4.730 1.00 0.00 C ATOM 20 NE ARG A 2 2.109 7.796 -4.053 1.00 0.00 N ATOM 21 CZ ARG A 2 2.586 9.036 -4.265 1.00 0.00 C ATOM 22 NH1 ARG A 2 2.242 9.735 -5.354 1.00 0.00 N ATOM 23 NH2 ARG A 2 3.402 9.605 -3.369 1.00 0.00 N ATOM 0 H ARG A 2 4.457 6.211 -8.634 1.00 0.00 H new ATOM 0 HA ARG A 2 3.681 7.340 -6.058 1.00 0.00 H new ATOM 0 HB2 ARG A 2 1.548 7.242 -7.332 1.00 0.00 H new ATOM 0 HB3 ARG A 2 1.828 5.541 -7.644 1.00 0.00 H new ATOM 0 HG2 ARG A 2 0.392 5.432 -5.832 1.00 0.00 H new ATOM 0 HG3 ARG A 2 1.949 5.313 -5.036 1.00 0.00 H new ATOM 0 HD2 ARG A 2 0.468 7.948 -5.349 1.00 0.00 H new ATOM 0 HD3 ARG A 2 0.222 6.884 -3.979 1.00 0.00 H new ATOM 0 HE ARG A 2 2.594 7.224 -3.362 1.00 0.00 H new ATOM 0 HH11 ARG A 2 1.607 9.329 -6.041 1.00 0.00 H new ATOM 0 HH12 ARG A 2 2.615 10.674 -5.496 1.00 0.00 H new ATOM 0 HH21 ARG A 2 3.663 9.098 -2.523 1.00 0.00 H new ATOM 0 HH22 ARG A 2 3.762 10.545 -3.532 1.00 0.00 H new ATOM 37 N CYS A 3 4.523 5.149 -5.094 1.00 0.00 N ATOM 38 CA CYS A 3 5.396 4.112 -4.569 1.00 0.00 C ATOM 39 C CYS A 3 4.767 2.721 -4.694 1.00 0.00 C ATOM 40 O CYS A 3 3.557 2.561 -4.548 1.00 0.00 O ATOM 41 CB CYS A 3 5.718 4.447 -3.113 1.00 0.00 C ATOM 42 SG CYS A 3 6.772 3.263 -2.244 1.00 0.00 S ATOM 0 H CYS A 3 4.134 5.758 -4.374 1.00 0.00 H new ATOM 0 HA CYS A 3 6.315 4.084 -5.154 1.00 0.00 H new ATOM 0 HB2 CYS A 3 6.201 5.424 -3.084 1.00 0.00 H new ATOM 0 HB3 CYS A 3 4.780 4.539 -2.566 1.00 0.00 H new ATOM 47 N LYS A 4 5.611 1.718 -4.956 1.00 0.00 N ATOM 48 CA LYS A 4 5.259 0.307 -4.935 1.00 0.00 C ATOM 49 C LYS A 4 4.893 -0.134 -3.518 1.00 0.00 C ATOM 50 O LYS A 4 3.800 -0.647 -3.293 1.00 0.00 O ATOM 51 CB LYS A 4 6.435 -0.490 -5.523 1.00 0.00 C ATOM 52 CG LYS A 4 6.184 -1.996 -5.702 1.00 0.00 C ATOM 53 CD LYS A 4 6.372 -2.813 -4.415 1.00 0.00 C ATOM 54 CE LYS A 4 6.386 -4.313 -4.727 1.00 0.00 C ATOM 55 NZ LYS A 4 6.515 -5.116 -3.497 1.00 0.00 N ATOM 0 H LYS A 4 6.589 1.878 -5.196 1.00 0.00 H new ATOM 0 HA LYS A 4 4.376 0.119 -5.545 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.693 -0.064 -6.493 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.302 -0.357 -4.876 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.169 -2.144 -6.070 1.00 0.00 H new ATOM 0 HG3 LYS A 4 6.860 -2.379 -6.467 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.306 -2.528 -3.930 1.00 0.00 H new ATOM 0 HD3 LYS A 4 5.567 -2.589 -3.715 1.00 0.00 H new ATOM 0 HE2 LYS A 4 5.468 -4.587 -5.248 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.214 -4.539 -5.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 6.521 -6.127 -3.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 7.403 -4.871 -3.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.712 -4.917 -2.867 1.00 0.00 H new ATOM 69 N VAL A 5 5.826 0.062 -2.580 1.00 0.00 N ATOM 70 CA VAL A 5 5.784 -0.474 -1.225 1.00 0.00 C ATOM 71 C VAL A 5 4.547 0.019 -0.471 1.00 0.00 C ATOM 72 O VAL A 5 3.596 -0.741 -0.299 1.00 0.00 O ATOM 73 CB VAL A 5 7.102 -0.149 -0.497 1.00 0.00 C ATOM 74 CG1 VAL A 5 7.109 -0.639 0.957 1.00 0.00 C ATOM 75 CG2 VAL A 5 8.288 -0.793 -1.225 1.00 0.00 C ATOM 0 H VAL A 5 6.661 0.621 -2.756 1.00 0.00 H new ATOM 0 HA VAL A 5 5.692 -1.559 -1.268 1.00 0.00 H new ATOM 0 HB VAL A 5 7.191 0.937 -0.497 1.00 0.00 H new ATOM 0 HG11 VAL A 5 8.061 -0.384 1.422 1.00 0.00 H new ATOM 0 HG12 VAL A 5 6.297 -0.161 1.506 1.00 0.00 H new ATOM 0 HG13 VAL A 5 6.974 -1.720 0.977 1.00 0.00 H new ATOM 0 HG21 VAL A 5 9.212 -0.554 -0.698 1.00 0.00 H new ATOM 0 HG22 VAL A 5 8.155 -1.875 -1.251 1.00 0.00 H new ATOM 0 HG23 VAL A 5 8.342 -0.409 -2.244 1.00 0.00 H new ATOM 85 N CYS A 6 4.559 1.274 -0.004 1.00 0.00 N ATOM 86 CA CYS A 6 3.468 1.816 0.796 1.00 0.00 C ATOM 87 C CYS A 6 2.266 2.159 -0.084 1.00 0.00 C ATOM 88 O CYS A 6 1.130 1.901 0.310 1.00 0.00 O ATOM 89 CB CYS A 6 3.934 3.020 1.622 1.00 0.00 C ATOM 90 SG CYS A 6 4.608 4.433 0.710 1.00 0.00 S ATOM 0 H CYS A 6 5.320 1.932 -0.171 1.00 0.00 H new ATOM 0 HA CYS A 6 3.148 1.048 1.501 1.00 0.00 H new ATOM 0 HB2 CYS A 6 3.089 3.371 2.215 1.00 0.00 H new ATOM 0 HB3 CYS A 6 4.694 2.676 2.323 1.00 0.00 H new ATOM 95 N ARG A 7 2.518 2.743 -1.264 1.00 0.00 N ATOM 96 CA ARG A 7 1.492 3.237 -2.174 1.00 0.00 C ATOM 97 C ARG A 7 0.560 4.219 -1.455 1.00 0.00 C ATOM 98 O ARG A 7 -0.662 4.091 -1.505 1.00 0.00 O ATOM 99 CB ARG A 7 0.771 2.046 -2.825 1.00 0.00 C ATOM 100 CG ARG A 7 0.043 2.434 -4.119 1.00 0.00 C ATOM 101 CD ARG A 7 -0.612 1.191 -4.730 1.00 0.00 C ATOM 102 NE ARG A 7 -1.284 1.509 -5.996 1.00 0.00 N ATOM 103 CZ ARG A 7 -1.922 0.612 -6.766 1.00 0.00 C ATOM 104 NH1 ARG A 7 -1.997 -0.676 -6.397 1.00 0.00 N ATOM 105 NH2 ARG A 7 -2.489 1.007 -7.915 1.00 0.00 N ATOM 0 H ARG A 7 3.465 2.885 -1.614 1.00 0.00 H new ATOM 0 HA ARG A 7 1.944 3.809 -2.984 1.00 0.00 H new ATOM 0 HB2 ARG A 7 1.496 1.261 -3.041 1.00 0.00 H new ATOM 0 HB3 ARG A 7 0.052 1.630 -2.119 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -0.713 3.191 -3.910 1.00 0.00 H new ATOM 0 HG3 ARG A 7 0.746 2.873 -4.827 1.00 0.00 H new ATOM 0 HD2 ARG A 7 0.145 0.425 -4.900 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -1.334 0.775 -4.027 1.00 0.00 H new ATOM 0 HE ARG A 7 -1.265 2.478 -6.313 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -1.567 -0.982 -5.524 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -2.484 -1.349 -6.989 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -2.435 1.985 -8.201 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -2.975 0.330 -8.503 1.00 0.00 H new ATOM 119 N LYS A 8 1.166 5.197 -0.772 1.00 0.00 N ATOM 120 CA LYS A 8 0.499 6.343 -0.167 1.00 0.00 C ATOM 121 C LYS A 8 1.062 7.613 -0.798 1.00 0.00 C ATOM 122 O LYS A 8 2.186 7.596 -1.299 1.00 0.00 O ATOM 123 CB LYS A 8 0.744 6.345 1.345 1.00 0.00 C ATOM 124 CG LYS A 8 0.068 5.149 2.031 1.00 0.00 C ATOM 125 CD LYS A 8 0.449 5.037 3.512 1.00 0.00 C ATOM 126 CE LYS A 8 -0.007 6.248 4.334 1.00 0.00 C ATOM 127 NZ LYS A 8 0.249 6.049 5.771 1.00 0.00 N ATOM 0 H LYS A 8 2.175 5.207 -0.623 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.576 6.291 -0.340 1.00 0.00 H new ATOM 0 HB2 LYS A 8 1.816 6.318 1.540 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.365 7.273 1.774 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.014 5.246 1.943 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.349 4.231 1.515 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.006 4.133 3.929 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.530 4.931 3.598 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.515 7.141 3.990 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -1.071 6.419 4.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -0.071 6.886 6.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.269 5.211 6.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.268 5.910 5.926 1.00 0.00 H new ATOM 141 N LYS A 9 0.270 8.694 -0.787 1.00 0.00 N ATOM 142 CA LYS A 9 0.707 10.024 -1.190 1.00 0.00 C ATOM 143 C LYS A 9 0.566 11.023 -0.041 1.00 0.00 C ATOM 144 O LYS A 9 0.029 10.695 1.016 1.00 0.00 O ATOM 145 CB LYS A 9 -0.013 10.460 -2.474 1.00 0.00 C ATOM 146 CG LYS A 9 -1.421 11.023 -2.239 1.00 0.00 C ATOM 147 CD LYS A 9 -2.095 11.451 -3.550 1.00 0.00 C ATOM 148 CE LYS A 9 -1.288 12.450 -4.394 1.00 0.00 C ATOM 149 NZ LYS A 9 -0.795 13.601 -3.612 1.00 0.00 N ATOM 0 H LYS A 9 -0.706 8.661 -0.492 1.00 0.00 H new ATOM 0 HA LYS A 9 1.771 9.994 -1.427 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.590 11.215 -2.978 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.082 9.606 -3.148 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.035 10.270 -1.745 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.362 11.878 -1.566 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.287 10.562 -4.150 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.063 11.893 -3.317 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.440 11.934 -4.845 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -1.911 12.813 -5.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -0.933 14.476 -4.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -1.321 13.664 -2.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 0.217 13.475 -3.410 1.00 0.00 H new ATOM 163 N GLY A 10 1.033 12.254 -0.278 1.00 0.00 N ATOM 164 CA GLY A 10 1.204 13.287 0.729 1.00 0.00 C ATOM 165 C GLY A 10 2.689 13.618 0.796 1.00 0.00 C ATOM 166 O GLY A 10 3.087 14.761 0.583 1.00 0.00 O ATOM 0 H GLY A 10 1.309 12.561 -1.211 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.625 14.174 0.471 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.844 12.941 1.698 1.00 0.00 H new ATOM 170 N GLU A 11 3.507 12.587 1.038 1.00 0.00 N ATOM 171 CA GLU A 11 4.961 12.625 0.932 1.00 0.00 C ATOM 172 C GLU A 11 5.423 12.557 -0.534 1.00 0.00 C ATOM 173 O GLU A 11 6.332 11.800 -0.879 1.00 0.00 O ATOM 174 CB GLU A 11 5.568 11.530 1.832 1.00 0.00 C ATOM 175 CG GLU A 11 5.439 10.070 1.355 1.00 0.00 C ATOM 176 CD GLU A 11 4.126 9.751 0.641 1.00 0.00 C ATOM 177 OE1 GLU A 11 3.107 9.632 1.353 1.00 0.00 O ATOM 178 OE2 GLU A 11 4.152 9.673 -0.607 1.00 0.00 O ATOM 0 H GLU A 11 3.157 11.672 1.323 1.00 0.00 H new ATOM 0 HA GLU A 11 5.333 13.583 1.296 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.628 11.750 1.962 1.00 0.00 H new ATOM 0 HB3 GLU A 11 5.103 11.606 2.815 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.267 9.846 0.683 1.00 0.00 H new ATOM 0 HG3 GLU A 11 5.540 9.409 2.216 1.00 0.00 H new ATOM 185 N ASP A 12 4.813 13.381 -1.397 1.00 0.00 N ATOM 186 CA ASP A 12 5.178 13.539 -2.799 1.00 0.00 C ATOM 187 C ASP A 12 6.424 14.420 -2.895 1.00 0.00 C ATOM 188 O ASP A 12 6.375 15.530 -3.425 1.00 0.00 O ATOM 189 CB ASP A 12 3.990 14.129 -3.568 1.00 0.00 C ATOM 190 CG ASP A 12 2.790 13.188 -3.561 1.00 0.00 C ATOM 191 OD1 ASP A 12 2.812 12.242 -4.377 1.00 0.00 O ATOM 192 OD2 ASP A 12 1.871 13.424 -2.744 1.00 0.00 O ATOM 0 H ASP A 12 4.028 13.972 -1.123 1.00 0.00 H new ATOM 0 HA ASP A 12 5.416 12.575 -3.249 1.00 0.00 H new ATOM 0 HB2 ASP A 12 3.707 15.083 -3.124 1.00 0.00 H new ATOM 0 HB3 ASP A 12 4.287 14.332 -4.597 1.00 0.00 H new ATOM 197 N ASP A 13 7.542 13.899 -2.379 1.00 0.00 N ATOM 198 CA ASP A 13 8.783 14.622 -2.155 1.00 0.00 C ATOM 199 C ASP A 13 9.889 14.065 -3.051 1.00 0.00 C ATOM 200 O ASP A 13 10.563 14.820 -3.750 1.00 0.00 O ATOM 201 CB ASP A 13 9.120 14.519 -0.661 1.00 0.00 C ATOM 202 CG ASP A 13 10.380 15.282 -0.258 1.00 0.00 C ATOM 203 OD1 ASP A 13 10.646 16.337 -0.870 1.00 0.00 O ATOM 204 OD2 ASP A 13 11.058 14.786 0.669 1.00 0.00 O ATOM 0 H ASP A 13 7.602 12.921 -2.097 1.00 0.00 H new ATOM 0 HA ASP A 13 8.682 15.675 -2.419 1.00 0.00 H new ATOM 0 HB2 ASP A 13 8.277 14.896 -0.081 1.00 0.00 H new ATOM 0 HB3 ASP A 13 9.243 13.468 -0.398 1.00 0.00 H new ATOM 209 N LYS A 14 10.068 12.740 -3.031 1.00 0.00 N ATOM 210 CA LYS A 14 11.178 12.060 -3.689 1.00 0.00 C ATOM 211 C LYS A 14 10.818 10.605 -4.005 1.00 0.00 C ATOM 212 O LYS A 14 11.292 9.674 -3.354 1.00 0.00 O ATOM 213 CB LYS A 14 12.490 12.222 -2.895 1.00 0.00 C ATOM 214 CG LYS A 14 12.360 12.277 -1.364 1.00 0.00 C ATOM 215 CD LYS A 14 11.807 10.995 -0.730 1.00 0.00 C ATOM 216 CE LYS A 14 11.880 11.046 0.801 1.00 0.00 C ATOM 217 NZ LYS A 14 11.008 12.091 1.366 1.00 0.00 N ATOM 0 H LYS A 14 9.433 12.104 -2.548 1.00 0.00 H new ATOM 0 HA LYS A 14 11.362 12.539 -4.651 1.00 0.00 H new ATOM 0 HB2 LYS A 14 13.150 11.393 -3.152 1.00 0.00 H new ATOM 0 HB3 LYS A 14 12.981 13.136 -3.229 1.00 0.00 H new ATOM 0 HG2 LYS A 14 13.340 12.487 -0.935 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.710 13.110 -1.096 1.00 0.00 H new ATOM 0 HD2 LYS A 14 10.772 10.852 -1.041 1.00 0.00 H new ATOM 0 HD3 LYS A 14 12.371 10.136 -1.093 1.00 0.00 H new ATOM 0 HE2 LYS A 14 11.594 10.077 1.209 1.00 0.00 H new ATOM 0 HE3 LYS A 14 12.910 11.229 1.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 10.944 11.970 2.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 11.405 13.028 1.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 10.058 12.014 0.949 1.00 0.00 H new ATOM 231 N LEU A 15 9.984 10.417 -5.036 1.00 0.00 N ATOM 232 CA LEU A 15 9.710 9.111 -5.617 1.00 0.00 C ATOM 233 C LEU A 15 10.904 8.731 -6.500 1.00 0.00 C ATOM 234 O LEU A 15 10.918 9.028 -7.693 1.00 0.00 O ATOM 235 CB LEU A 15 8.401 9.141 -6.430 1.00 0.00 C ATOM 236 CG LEU A 15 7.094 9.118 -5.613 1.00 0.00 C ATOM 237 CD1 LEU A 15 6.881 7.780 -4.894 1.00 0.00 C ATOM 238 CD2 LEU A 15 6.977 10.284 -4.624 1.00 0.00 C ATOM 0 H LEU A 15 9.479 11.179 -5.489 1.00 0.00 H new ATOM 0 HA LEU A 15 9.579 8.366 -4.832 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.402 10.038 -7.049 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.398 8.286 -7.106 1.00 0.00 H new ATOM 0 HG LEU A 15 6.298 9.240 -6.347 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.947 7.813 -4.332 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.834 6.976 -5.628 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.710 7.599 -4.210 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.035 10.208 -4.082 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.806 10.247 -3.918 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.007 11.228 -5.169 1.00 0.00 H new ATOM 250 N ILE A 16 11.911 8.087 -5.900 1.00 0.00 N ATOM 251 CA ILE A 16 13.035 7.493 -6.611 1.00 0.00 C ATOM 252 C ILE A 16 12.562 6.270 -7.401 1.00 0.00 C ATOM 253 O ILE A 16 11.997 5.335 -6.835 1.00 0.00 O ATOM 254 CB ILE A 16 14.198 7.175 -5.643 1.00 0.00 C ATOM 255 CG1 ILE A 16 15.347 6.495 -6.410 1.00 0.00 C ATOM 256 CG2 ILE A 16 13.782 6.324 -4.430 1.00 0.00 C ATOM 257 CD1 ILE A 16 16.683 6.559 -5.659 1.00 0.00 C ATOM 0 H ILE A 16 11.963 7.965 -4.889 1.00 0.00 H new ATOM 0 HA ILE A 16 13.430 8.211 -7.330 1.00 0.00 H new ATOM 0 HB ILE A 16 14.532 8.130 -5.236 1.00 0.00 H new ATOM 0 HG12 ILE A 16 15.088 5.452 -6.593 1.00 0.00 H new ATOM 0 HG13 ILE A 16 15.460 6.971 -7.384 1.00 0.00 H new ATOM 0 HG21 ILE A 16 14.651 6.143 -3.798 1.00 0.00 H new ATOM 0 HG22 ILE A 16 13.021 6.854 -3.857 1.00 0.00 H new ATOM 0 HG23 ILE A 16 13.379 5.372 -4.775 1.00 0.00 H new ATOM 0 HD11 ILE A 16 17.455 6.064 -6.248 1.00 0.00 H new ATOM 0 HD12 ILE A 16 16.961 7.601 -5.499 1.00 0.00 H new ATOM 0 HD13 ILE A 16 16.584 6.058 -4.696 1.00 0.00 H new ATOM 269 N LEU A 17 12.772 6.286 -8.722 1.00 0.00 N ATOM 270 CA LEU A 17 12.584 5.127 -9.578 1.00 0.00 C ATOM 271 C LEU A 17 13.902 4.359 -9.660 1.00 0.00 C ATOM 272 O LEU A 17 14.967 4.966 -9.778 1.00 0.00 O ATOM 273 CB LEU A 17 12.110 5.567 -10.970 1.00 0.00 C ATOM 274 CG LEU A 17 10.587 5.781 -11.054 1.00 0.00 C ATOM 275 CD1 LEU A 17 10.084 6.898 -10.131 1.00 0.00 C ATOM 276 CD2 LEU A 17 10.207 6.117 -12.500 1.00 0.00 C ATOM 0 H LEU A 17 13.081 7.118 -9.225 1.00 0.00 H new ATOM 0 HA LEU A 17 11.817 4.474 -9.161 1.00 0.00 H new ATOM 0 HB2 LEU A 17 12.616 6.493 -11.243 1.00 0.00 H new ATOM 0 HB3 LEU A 17 12.405 4.815 -11.702 1.00 0.00 H new ATOM 0 HG LEU A 17 10.114 4.855 -10.725 1.00 0.00 H new ATOM 0 HD11 LEU A 17 9.004 6.999 -10.237 1.00 0.00 H new ATOM 0 HD12 LEU A 17 10.326 6.652 -9.097 1.00 0.00 H new ATOM 0 HD13 LEU A 17 10.564 7.838 -10.402 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.130 6.270 -12.567 1.00 0.00 H new ATOM 0 HD22 LEU A 17 10.722 7.026 -12.810 1.00 0.00 H new ATOM 0 HD23 LEU A 17 10.498 5.294 -13.153 1.00 0.00 H new ATOM 288 N CYS A 18 13.828 3.024 -9.602 1.00 0.00 N ATOM 289 CA CYS A 18 14.963 2.160 -9.881 1.00 0.00 C ATOM 290 C CYS A 18 15.294 2.222 -11.370 1.00 0.00 C ATOM 291 O CYS A 18 14.441 1.910 -12.198 1.00 0.00 O ATOM 292 CB CYS A 18 14.639 0.726 -9.455 1.00 0.00 C ATOM 293 SG CYS A 18 15.901 -0.491 -9.915 1.00 0.00 S ATOM 0 H CYS A 18 12.975 2.520 -9.359 1.00 0.00 H new ATOM 0 HA CYS A 18 15.831 2.498 -9.316 1.00 0.00 H new ATOM 0 HB2 CYS A 18 14.505 0.702 -8.374 1.00 0.00 H new ATOM 0 HB3 CYS A 18 13.688 0.433 -9.901 1.00 0.00 H new ATOM 298 N ASP A 19 16.534 2.596 -11.707 1.00 0.00 N ATOM 299 CA ASP A 19 16.997 2.721 -13.085 1.00 0.00 C ATOM 300 C ASP A 19 16.793 1.416 -13.857 1.00 0.00 C ATOM 301 O ASP A 19 16.303 1.429 -14.984 1.00 0.00 O ATOM 302 CB ASP A 19 18.480 3.124 -13.110 1.00 0.00 C ATOM 303 CG ASP A 19 18.750 4.555 -12.640 1.00 0.00 C ATOM 304 OD1 ASP A 19 17.816 5.188 -12.101 1.00 0.00 O ATOM 305 OD2 ASP A 19 19.903 4.996 -12.835 1.00 0.00 O ATOM 0 H ASP A 19 17.250 2.822 -11.017 1.00 0.00 H new ATOM 0 HA ASP A 19 16.407 3.498 -13.571 1.00 0.00 H new ATOM 0 HB2 ASP A 19 19.043 2.435 -12.480 1.00 0.00 H new ATOM 0 HB3 ASP A 19 18.859 3.010 -14.126 1.00 0.00 H new ATOM 310 N GLU A 20 17.166 0.295 -13.233 1.00 0.00 N ATOM 311 CA GLU A 20 17.253 -1.010 -13.864 1.00 0.00 C ATOM 312 C GLU A 20 15.875 -1.505 -14.308 1.00 0.00 C ATOM 313 O GLU A 20 15.665 -1.742 -15.496 1.00 0.00 O ATOM 314 CB GLU A 20 17.919 -1.994 -12.895 1.00 0.00 C ATOM 315 CG GLU A 20 19.364 -1.587 -12.579 1.00 0.00 C ATOM 316 CD GLU A 20 19.983 -2.538 -11.564 1.00 0.00 C ATOM 317 OE1 GLU A 20 19.600 -2.418 -10.381 1.00 0.00 O ATOM 318 OE2 GLU A 20 20.816 -3.369 -11.986 1.00 0.00 O ATOM 0 H GLU A 20 17.422 0.278 -12.246 1.00 0.00 H new ATOM 0 HA GLU A 20 17.863 -0.933 -14.764 1.00 0.00 H new ATOM 0 HB2 GLU A 20 17.343 -2.041 -11.971 1.00 0.00 H new ATOM 0 HB3 GLU A 20 17.909 -2.994 -13.328 1.00 0.00 H new ATOM 0 HG2 GLU A 20 19.956 -1.589 -13.494 1.00 0.00 H new ATOM 0 HG3 GLU A 20 19.383 -0.569 -12.189 1.00 0.00 H new ATOM 325 N CYS A 21 14.947 -1.671 -13.355 1.00 0.00 N ATOM 326 CA CYS A 21 13.663 -2.334 -13.577 1.00 0.00 C ATOM 327 C CYS A 21 12.466 -1.377 -13.500 1.00 0.00 C ATOM 328 O CYS A 21 11.331 -1.832 -13.628 1.00 0.00 O ATOM 329 CB CYS A 21 13.515 -3.525 -12.618 1.00 0.00 C ATOM 330 SG CYS A 21 13.588 -3.162 -10.844 1.00 0.00 S ATOM 0 H CYS A 21 15.073 -1.343 -12.397 1.00 0.00 H new ATOM 0 HA CYS A 21 13.661 -2.708 -14.601 1.00 0.00 H new ATOM 0 HB2 CYS A 21 12.562 -4.012 -12.826 1.00 0.00 H new ATOM 0 HB3 CYS A 21 14.299 -4.246 -12.849 1.00 0.00 H new ATOM 335 N ASN A 22 12.700 -0.069 -13.316 1.00 0.00 N ATOM 336 CA ASN A 22 11.686 0.975 -13.438 1.00 0.00 C ATOM 337 C ASN A 22 10.559 0.783 -12.417 1.00 0.00 C ATOM 338 O ASN A 22 9.394 0.646 -12.783 1.00 0.00 O ATOM 339 CB ASN A 22 11.192 1.066 -14.891 1.00 0.00 C ATOM 340 CG ASN A 22 10.399 2.347 -15.148 1.00 0.00 C ATOM 341 OD1 ASN A 22 9.182 2.309 -15.312 1.00 0.00 O ATOM 342 ND2 ASN A 22 11.091 3.485 -15.202 1.00 0.00 N ATOM 0 H ASN A 22 13.622 0.295 -13.073 1.00 0.00 H new ATOM 0 HA ASN A 22 12.133 1.939 -13.197 1.00 0.00 H new ATOM 0 HB2 ASN A 22 12.046 1.027 -15.567 1.00 0.00 H new ATOM 0 HB3 ASN A 22 10.567 0.202 -15.116 1.00 0.00 H new ATOM 0 HD21 ASN A 22 10.610 4.366 -15.385 1.00 0.00 H new ATOM 0 HD22 ASN A 22 12.101 3.475 -15.060 1.00 0.00 H new ATOM 349 N LYS A 23 10.920 0.774 -11.127 1.00 0.00 N ATOM 350 CA LYS A 23 10.018 0.560 -10.012 1.00 0.00 C ATOM 351 C LYS A 23 10.107 1.757 -9.068 1.00 0.00 C ATOM 352 O LYS A 23 11.189 2.074 -8.572 1.00 0.00 O ATOM 353 CB LYS A 23 10.421 -0.732 -9.295 1.00 0.00 C ATOM 354 CG LYS A 23 10.297 -1.992 -10.166 1.00 0.00 C ATOM 355 CD LYS A 23 8.849 -2.341 -10.545 1.00 0.00 C ATOM 356 CE LYS A 23 8.784 -3.478 -11.572 1.00 0.00 C ATOM 357 NZ LYS A 23 9.413 -4.718 -11.087 1.00 0.00 N ATOM 0 H LYS A 23 11.885 0.922 -10.832 1.00 0.00 H new ATOM 0 HA LYS A 23 8.989 0.464 -10.358 1.00 0.00 H new ATOM 0 HB2 LYS A 23 11.451 -0.639 -8.952 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.799 -0.853 -8.408 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.878 -1.851 -11.077 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.737 -2.835 -9.634 1.00 0.00 H new ATOM 0 HD2 LYS A 23 8.299 -2.629 -9.649 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.357 -1.457 -10.951 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.742 -3.678 -11.822 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.277 -3.161 -12.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.253 -5.481 -11.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 10.435 -4.566 -10.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.996 -4.984 -10.172 1.00 0.00 H new ATOM 371 N ALA A 24 8.967 2.418 -8.834 1.00 0.00 N ATOM 372 CA ALA A 24 8.872 3.632 -8.040 1.00 0.00 C ATOM 373 C ALA A 24 8.867 3.300 -6.548 1.00 0.00 C ATOM 374 O ALA A 24 8.170 2.385 -6.111 1.00 0.00 O ATOM 375 CB ALA A 24 7.608 4.396 -8.437 1.00 0.00 C ATOM 0 H ALA A 24 8.068 2.110 -9.204 1.00 0.00 H new ATOM 0 HA ALA A 24 9.741 4.261 -8.234 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.532 5.307 -7.844 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.656 4.654 -9.495 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.733 3.771 -8.255 1.00 0.00 H new ATOM 381 N PHE A 25 9.656 4.053 -5.779 1.00 0.00 N ATOM 382 CA PHE A 25 9.982 3.810 -4.382 1.00 0.00 C ATOM 383 C PHE A 25 10.253 5.163 -3.727 1.00 0.00 C ATOM 384 O PHE A 25 10.656 6.098 -4.410 1.00 0.00 O ATOM 385 CB PHE A 25 11.258 2.949 -4.292 1.00 0.00 C ATOM 386 CG PHE A 25 11.034 1.459 -4.108 1.00 0.00 C ATOM 387 CD1 PHE A 25 10.660 0.652 -5.199 1.00 0.00 C ATOM 388 CD2 PHE A 25 11.303 0.860 -2.862 1.00 0.00 C ATOM 389 CE1 PHE A 25 10.487 -0.732 -5.029 1.00 0.00 C ATOM 390 CE2 PHE A 25 11.184 -0.531 -2.707 1.00 0.00 C ATOM 391 CZ PHE A 25 10.753 -1.325 -3.782 1.00 0.00 C ATOM 0 H PHE A 25 10.107 4.894 -6.139 1.00 0.00 H new ATOM 0 HA PHE A 25 9.162 3.291 -3.885 1.00 0.00 H new ATOM 0 HB2 PHE A 25 11.842 3.101 -5.200 1.00 0.00 H new ATOM 0 HB3 PHE A 25 11.862 3.313 -3.461 1.00 0.00 H new ATOM 0 HD1 PHE A 25 10.505 1.098 -6.170 1.00 0.00 H new ATOM 0 HD2 PHE A 25 11.602 1.472 -2.024 1.00 0.00 H new ATOM 0 HE1 PHE A 25 10.150 -1.340 -5.856 1.00 0.00 H new ATOM 0 HE2 PHE A 25 11.424 -0.990 -1.760 1.00 0.00 H new ATOM 0 HZ PHE A 25 10.626 -2.390 -3.651 1.00 0.00 H new ATOM 401 N HIS A 26 10.014 5.286 -2.418 1.00 0.00 N ATOM 402 CA HIS A 26 10.483 6.444 -1.664 1.00 0.00 C ATOM 403 C HIS A 26 11.881 6.110 -1.156 1.00 0.00 C ATOM 404 O HIS A 26 12.224 4.937 -1.021 1.00 0.00 O ATOM 405 CB HIS A 26 9.570 6.752 -0.476 1.00 0.00 C ATOM 406 CG HIS A 26 8.198 7.215 -0.872 1.00 0.00 C ATOM 407 ND1 HIS A 26 7.043 6.439 -0.803 1.00 0.00 N ATOM 408 CD2 HIS A 26 7.888 8.471 -1.307 1.00 0.00 C ATOM 409 CE1 HIS A 26 6.052 7.255 -1.191 1.00 0.00 C ATOM 410 NE2 HIS A 26 6.528 8.472 -1.508 1.00 0.00 N ATOM 0 H HIS A 26 9.501 4.600 -1.864 1.00 0.00 H new ATOM 0 HA HIS A 26 10.484 7.324 -2.307 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.478 5.858 0.141 1.00 0.00 H new ATOM 0 HB3 HIS A 26 10.038 7.519 0.141 1.00 0.00 H new ATOM 0 HD2 HIS A 26 8.570 9.294 -1.461 1.00 0.00 H new ATOM 0 HE1 HIS A 26 5.011 6.972 -1.242 1.00 0.00 H new ATOM 0 HE2 HIS A 26 5.974 9.261 -1.841 1.00 0.00 H new ATOM 418 N LEU A 27 12.680 7.132 -0.844 1.00 0.00 N ATOM 419 CA LEU A 27 13.944 6.942 -0.146 1.00 0.00 C ATOM 420 C LEU A 27 13.715 6.283 1.221 1.00 0.00 C ATOM 421 O LEU A 27 14.513 5.447 1.637 1.00 0.00 O ATOM 422 CB LEU A 27 14.676 8.281 -0.015 1.00 0.00 C ATOM 423 CG LEU A 27 15.122 8.871 -1.364 1.00 0.00 C ATOM 424 CD1 LEU A 27 15.654 10.289 -1.144 1.00 0.00 C ATOM 425 CD2 LEU A 27 16.244 8.051 -2.012 1.00 0.00 C ATOM 0 H LEU A 27 12.468 8.104 -1.067 1.00 0.00 H new ATOM 0 HA LEU A 27 14.575 6.269 -0.727 1.00 0.00 H new ATOM 0 HB2 LEU A 27 14.023 8.995 0.487 1.00 0.00 H new ATOM 0 HB3 LEU A 27 15.551 8.147 0.621 1.00 0.00 H new ATOM 0 HG LEU A 27 14.253 8.862 -2.022 1.00 0.00 H new ATOM 0 HD11 LEU A 27 15.971 10.711 -2.098 1.00 0.00 H new ATOM 0 HD12 LEU A 27 14.867 10.910 -0.716 1.00 0.00 H new ATOM 0 HD13 LEU A 27 16.503 10.257 -0.461 1.00 0.00 H new ATOM 0 HD21 LEU A 27 16.525 8.506 -2.962 1.00 0.00 H new ATOM 0 HD22 LEU A 27 17.109 8.030 -1.349 1.00 0.00 H new ATOM 0 HD23 LEU A 27 15.896 7.033 -2.186 1.00 0.00 H new ATOM 437 N PHE A 28 12.603 6.626 1.888 1.00 0.00 N ATOM 438 CA PHE A 28 12.126 5.943 3.085 1.00 0.00 C ATOM 439 C PHE A 28 12.041 4.430 2.855 1.00 0.00 C ATOM 440 O PHE A 28 12.639 3.650 3.595 1.00 0.00 O ATOM 441 CB PHE A 28 10.746 6.481 3.489 1.00 0.00 C ATOM 442 CG PHE A 28 10.587 7.988 3.599 1.00 0.00 C ATOM 443 CD1 PHE A 28 11.564 8.773 4.241 1.00 0.00 C ATOM 444 CD2 PHE A 28 9.372 8.580 3.201 1.00 0.00 C ATOM 445 CE1 PHE A 28 11.318 10.133 4.499 1.00 0.00 C ATOM 446 CE2 PHE A 28 9.120 9.934 3.475 1.00 0.00 C ATOM 447 CZ PHE A 28 10.085 10.707 4.140 1.00 0.00 C ATOM 0 H PHE A 28 12.004 7.400 1.600 1.00 0.00 H new ATOM 0 HA PHE A 28 12.838 6.134 3.888 1.00 0.00 H new ATOM 0 HB2 PHE A 28 10.018 6.118 2.764 1.00 0.00 H new ATOM 0 HB3 PHE A 28 10.483 6.044 4.452 1.00 0.00 H new ATOM 0 HD1 PHE A 28 12.504 8.330 4.536 1.00 0.00 H new ATOM 0 HD2 PHE A 28 8.631 7.990 2.683 1.00 0.00 H new ATOM 0 HE1 PHE A 28 12.077 10.738 4.973 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.184 10.381 3.174 1.00 0.00 H new ATOM 0 HZ PHE A 28 9.881 11.741 4.376 1.00 0.00 H new ATOM 457 N CYS A 29 11.281 4.030 1.828 1.00 0.00 N ATOM 458 CA CYS A 29 10.897 2.650 1.566 1.00 0.00 C ATOM 459 C CYS A 29 12.074 1.851 1.001 1.00 0.00 C ATOM 460 O CYS A 29 12.156 0.644 1.215 1.00 0.00 O ATOM 461 CB CYS A 29 9.706 2.633 0.602 1.00 0.00 C ATOM 462 SG CYS A 29 8.258 3.570 1.166 1.00 0.00 S ATOM 0 H CYS A 29 10.908 4.683 1.139 1.00 0.00 H new ATOM 0 HA CYS A 29 10.605 2.175 2.503 1.00 0.00 H new ATOM 0 HB2 CYS A 29 10.029 3.033 -0.359 1.00 0.00 H new ATOM 0 HB3 CYS A 29 9.408 1.598 0.433 1.00 0.00 H new ATOM 467 N LEU A 30 12.976 2.526 0.276 1.00 0.00 N ATOM 468 CA LEU A 30 14.255 1.985 -0.152 1.00 0.00 C ATOM 469 C LEU A 30 15.065 1.622 1.091 1.00 0.00 C ATOM 470 O LEU A 30 15.293 0.444 1.359 1.00 0.00 O ATOM 471 CB LEU A 30 14.947 3.012 -1.070 1.00 0.00 C ATOM 472 CG LEU A 30 16.156 2.514 -1.880 1.00 0.00 C ATOM 473 CD1 LEU A 30 16.625 3.661 -2.783 1.00 0.00 C ATOM 474 CD2 LEU A 30 17.345 2.064 -1.026 1.00 0.00 C ATOM 0 H LEU A 30 12.824 3.486 -0.032 1.00 0.00 H new ATOM 0 HA LEU A 30 14.142 1.072 -0.737 1.00 0.00 H new ATOM 0 HB2 LEU A 30 14.205 3.397 -1.769 1.00 0.00 H new ATOM 0 HB3 LEU A 30 15.272 3.852 -0.456 1.00 0.00 H new ATOM 0 HG LEU A 30 15.823 1.639 -2.437 1.00 0.00 H new ATOM 0 HD11 LEU A 30 17.483 3.334 -3.370 1.00 0.00 H new ATOM 0 HD12 LEU A 30 15.816 3.950 -3.454 1.00 0.00 H new ATOM 0 HD13 LEU A 30 16.910 4.515 -2.168 1.00 0.00 H new ATOM 0 HD21 LEU A 30 18.153 1.728 -1.676 1.00 0.00 H new ATOM 0 HD22 LEU A 30 17.692 2.899 -0.417 1.00 0.00 H new ATOM 0 HD23 LEU A 30 17.037 1.244 -0.377 1.00 0.00 H new ATOM 486 N ARG A 31 15.486 2.643 1.844 1.00 0.00 N ATOM 487 CA ARG A 31 16.331 2.509 3.020 1.00 0.00 C ATOM 488 C ARG A 31 16.384 3.870 3.725 1.00 0.00 C ATOM 489 O ARG A 31 17.026 4.780 3.206 1.00 0.00 O ATOM 490 CB ARG A 31 17.728 2.042 2.590 1.00 0.00 C ATOM 491 CG ARG A 31 18.692 1.877 3.768 1.00 0.00 C ATOM 492 CD ARG A 31 19.926 1.088 3.317 1.00 0.00 C ATOM 493 NE ARG A 31 20.552 1.702 2.136 1.00 0.00 N ATOM 494 CZ ARG A 31 21.225 1.055 1.169 1.00 0.00 C ATOM 495 NH1 ARG A 31 21.413 -0.269 1.224 1.00 0.00 N ATOM 496 NH2 ARG A 31 21.717 1.748 0.133 1.00 0.00 N ATOM 0 H ARG A 31 15.237 3.611 1.641 1.00 0.00 H new ATOM 0 HA ARG A 31 15.931 1.767 3.711 1.00 0.00 H new ATOM 0 HB2 ARG A 31 17.641 1.092 2.063 1.00 0.00 H new ATOM 0 HB3 ARG A 31 18.144 2.761 1.885 1.00 0.00 H new ATOM 0 HG2 ARG A 31 18.991 2.855 4.146 1.00 0.00 H new ATOM 0 HG3 ARG A 31 18.195 1.357 4.587 1.00 0.00 H new ATOM 0 HD2 ARG A 31 20.649 1.042 4.132 1.00 0.00 H new ATOM 0 HD3 ARG A 31 19.640 0.062 3.087 1.00 0.00 H new ATOM 0 HE ARG A 31 20.467 2.714 2.042 1.00 0.00 H new ATOM 0 HH11 ARG A 31 21.043 -0.804 2.009 1.00 0.00 H new ATOM 0 HH12 ARG A 31 21.926 -0.743 0.481 1.00 0.00 H new ATOM 0 HH21 ARG A 31 21.579 2.757 0.083 1.00 0.00 H new ATOM 0 HH22 ARG A 31 22.229 1.266 -0.606 1.00 0.00 H new ATOM 510 N PRO A 32 15.749 4.027 4.898 1.00 0.00 N ATOM 511 CA PRO A 32 15.550 5.324 5.531 1.00 0.00 C ATOM 512 C PRO A 32 16.869 6.033 5.860 1.00 0.00 C ATOM 513 O PRO A 32 16.927 7.256 5.773 1.00 0.00 O ATOM 514 CB PRO A 32 14.731 5.042 6.791 1.00 0.00 C ATOM 515 CG PRO A 32 15.169 3.631 7.176 1.00 0.00 C ATOM 516 CD PRO A 32 15.394 2.959 5.821 1.00 0.00 C ATOM 0 HA PRO A 32 15.035 6.008 4.856 1.00 0.00 H new ATOM 0 HB2 PRO A 32 14.946 5.761 7.581 1.00 0.00 H new ATOM 0 HB3 PRO A 32 13.660 5.093 6.596 1.00 0.00 H new ATOM 0 HG2 PRO A 32 16.078 3.641 7.778 1.00 0.00 H new ATOM 0 HG3 PRO A 32 14.406 3.117 7.760 1.00 0.00 H new ATOM 0 HD2 PRO A 32 16.189 2.215 5.881 1.00 0.00 H new ATOM 0 HD3 PRO A 32 14.495 2.439 5.489 1.00 0.00 H new ATOM 524 N ALA A 33 17.922 5.277 6.207 1.00 0.00 N ATOM 525 CA ALA A 33 19.273 5.795 6.410 1.00 0.00 C ATOM 526 C ALA A 33 19.722 6.700 5.260 1.00 0.00 C ATOM 527 O ALA A 33 20.348 7.732 5.495 1.00 0.00 O ATOM 528 CB ALA A 33 20.252 4.635 6.611 1.00 0.00 C ATOM 0 H ALA A 33 17.851 4.270 6.356 1.00 0.00 H new ATOM 0 HA ALA A 33 19.263 6.412 7.309 1.00 0.00 H new ATOM 0 HB1 ALA A 33 21.257 5.029 6.762 1.00 0.00 H new ATOM 0 HB2 ALA A 33 19.955 4.055 7.485 1.00 0.00 H new ATOM 0 HB3 ALA A 33 20.242 3.994 5.730 1.00 0.00 H new ATOM 534 N LEU A 34 19.412 6.303 4.021 1.00 0.00 N ATOM 535 CA LEU A 34 19.561 7.157 2.854 1.00 0.00 C ATOM 536 C LEU A 34 18.373 8.118 2.848 1.00 0.00 C ATOM 537 O LEU A 34 17.397 7.897 2.139 1.00 0.00 O ATOM 538 CB LEU A 34 19.636 6.317 1.570 1.00 0.00 C ATOM 539 CG LEU A 34 21.057 5.845 1.228 1.00 0.00 C ATOM 540 CD1 LEU A 34 21.929 6.977 0.665 1.00 0.00 C ATOM 541 CD2 LEU A 34 21.766 5.157 2.400 1.00 0.00 C ATOM 0 H LEU A 34 19.049 5.374 3.806 1.00 0.00 H new ATOM 0 HA LEU A 34 20.492 7.723 2.895 1.00 0.00 H new ATOM 0 HB2 LEU A 34 18.989 5.447 1.677 1.00 0.00 H new ATOM 0 HB3 LEU A 34 19.247 6.904 0.738 1.00 0.00 H new ATOM 0 HG LEU A 34 20.925 5.096 0.447 1.00 0.00 H new ATOM 0 HD11 LEU A 34 22.924 6.592 0.439 1.00 0.00 H new ATOM 0 HD12 LEU A 34 21.475 7.367 -0.246 1.00 0.00 H new ATOM 0 HD13 LEU A 34 22.008 7.776 1.402 1.00 0.00 H new ATOM 0 HD21 LEU A 34 22.765 4.849 2.091 1.00 0.00 H new ATOM 0 HD22 LEU A 34 21.844 5.851 3.237 1.00 0.00 H new ATOM 0 HD23 LEU A 34 21.195 4.281 2.707 1.00 0.00 H new ATOM 553 N TYR A 35 18.454 9.178 3.660 1.00 0.00 N ATOM 554 CA TYR A 35 17.516 10.291 3.614 1.00 0.00 C ATOM 555 C TYR A 35 17.728 11.088 2.328 1.00 0.00 C ATOM 556 O TYR A 35 16.764 11.483 1.675 1.00 0.00 O ATOM 557 CB TYR A 35 17.688 11.175 4.855 1.00 0.00 C ATOM 558 CG TYR A 35 17.388 10.454 6.155 1.00 0.00 C ATOM 559 CD1 TYR A 35 16.053 10.219 6.534 1.00 0.00 C ATOM 560 CD2 TYR A 35 18.438 9.940 6.939 1.00 0.00 C ATOM 561 CE1 TYR A 35 15.768 9.464 7.686 1.00 0.00 C ATOM 562 CE2 TYR A 35 18.153 9.179 8.086 1.00 0.00 C ATOM 563 CZ TYR A 35 16.819 8.928 8.451 1.00 0.00 C ATOM 564 OH TYR A 35 16.548 8.153 9.541 1.00 0.00 O ATOM 0 H TYR A 35 19.179 9.283 4.370 1.00 0.00 H new ATOM 0 HA TYR A 35 16.495 9.910 3.615 1.00 0.00 H new ATOM 0 HB2 TYR A 35 18.710 11.552 4.885 1.00 0.00 H new ATOM 0 HB3 TYR A 35 17.032 12.041 4.769 1.00 0.00 H new ATOM 0 HD1 TYR A 35 15.246 10.619 5.939 1.00 0.00 H new ATOM 0 HD2 TYR A 35 19.464 10.130 6.659 1.00 0.00 H new ATOM 0 HE1 TYR A 35 14.743 9.296 7.983 1.00 0.00 H new ATOM 0 HE2 TYR A 35 18.960 8.787 8.687 1.00 0.00 H new ATOM 0 HH TYR A 35 17.388 7.864 9.954 1.00 0.00 H new ATOM 574 N GLU A 36 18.998 11.298 1.973 1.00 0.00 N ATOM 575 CA GLU A 36 19.430 11.836 0.695 1.00 0.00 C ATOM 576 C GLU A 36 19.425 10.722 -0.359 1.00 0.00 C ATOM 577 O GLU A 36 19.346 9.539 -0.030 1.00 0.00 O ATOM 578 CB GLU A 36 20.833 12.447 0.834 1.00 0.00 C ATOM 579 CG GLU A 36 20.873 13.681 1.751 1.00 0.00 C ATOM 580 CD GLU A 36 20.605 13.368 3.223 1.00 0.00 C ATOM 581 OE1 GLU A 36 21.162 12.357 3.705 1.00 0.00 O ATOM 582 OE2 GLU A 36 19.835 14.137 3.838 1.00 0.00 O ATOM 0 H GLU A 36 19.778 11.088 2.596 1.00 0.00 H new ATOM 0 HA GLU A 36 18.743 12.620 0.377 1.00 0.00 H new ATOM 0 HB2 GLU A 36 21.514 11.691 1.225 1.00 0.00 H new ATOM 0 HB3 GLU A 36 21.200 12.726 -0.154 1.00 0.00 H new ATOM 0 HG2 GLU A 36 21.850 14.155 1.663 1.00 0.00 H new ATOM 0 HG3 GLU A 36 20.135 14.404 1.403 1.00 0.00 H new ATOM 589 N VAL A 37 19.509 11.112 -1.635 1.00 0.00 N ATOM 590 CA VAL A 37 19.522 10.192 -2.765 1.00 0.00 C ATOM 591 C VAL A 37 20.822 9.375 -2.751 1.00 0.00 C ATOM 592 O VAL A 37 21.872 9.923 -2.418 1.00 0.00 O ATOM 593 CB VAL A 37 19.374 10.993 -4.073 1.00 0.00 C ATOM 594 CG1 VAL A 37 19.483 10.106 -5.321 1.00 0.00 C ATOM 595 CG2 VAL A 37 18.024 11.722 -4.120 1.00 0.00 C ATOM 0 H VAL A 37 19.571 12.092 -1.911 1.00 0.00 H new ATOM 0 HA VAL A 37 18.687 9.495 -2.693 1.00 0.00 H new ATOM 0 HB VAL A 37 20.195 11.710 -4.079 1.00 0.00 H new ATOM 0 HG11 VAL A 37 19.372 10.720 -6.215 1.00 0.00 H new ATOM 0 HG12 VAL A 37 20.457 9.617 -5.336 1.00 0.00 H new ATOM 0 HG13 VAL A 37 18.698 9.350 -5.300 1.00 0.00 H new ATOM 0 HG21 VAL A 37 17.944 12.280 -5.053 1.00 0.00 H new ATOM 0 HG22 VAL A 37 17.215 10.994 -4.062 1.00 0.00 H new ATOM 0 HG23 VAL A 37 17.953 12.411 -3.278 1.00 0.00 H new ATOM 605 N PRO A 38 20.782 8.075 -3.093 1.00 0.00 N ATOM 606 CA PRO A 38 21.986 7.298 -3.332 1.00 0.00 C ATOM 607 C PRO A 38 22.478 7.633 -4.734 1.00 0.00 C ATOM 608 O PRO A 38 21.952 7.108 -5.716 1.00 0.00 O ATOM 609 CB PRO A 38 21.575 5.830 -3.214 1.00 0.00 C ATOM 610 CG PRO A 38 20.092 5.846 -3.576 1.00 0.00 C ATOM 611 CD PRO A 38 19.622 7.198 -3.038 1.00 0.00 C ATOM 0 HA PRO A 38 22.790 7.511 -2.627 1.00 0.00 H new ATOM 0 HB2 PRO A 38 22.147 5.197 -3.892 1.00 0.00 H new ATOM 0 HB3 PRO A 38 21.738 5.447 -2.207 1.00 0.00 H new ATOM 0 HG2 PRO A 38 19.938 5.764 -4.652 1.00 0.00 H new ATOM 0 HG3 PRO A 38 19.554 5.018 -3.113 1.00 0.00 H new ATOM 0 HD2 PRO A 38 18.804 7.594 -3.639 1.00 0.00 H new ATOM 0 HD3 PRO A 38 19.251 7.105 -2.017 1.00 0.00 H new ATOM 619 N ASP A 39 23.470 8.526 -4.827 1.00 0.00 N ATOM 620 CA ASP A 39 23.900 9.105 -6.090 1.00 0.00 C ATOM 621 C ASP A 39 24.870 8.162 -6.807 1.00 0.00 C ATOM 622 O ASP A 39 26.004 8.528 -7.110 1.00 0.00 O ATOM 623 CB ASP A 39 24.480 10.506 -5.855 1.00 0.00 C ATOM 624 CG ASP A 39 23.425 11.462 -5.304 1.00 0.00 C ATOM 625 OD1 ASP A 39 22.407 11.654 -6.006 1.00 0.00 O ATOM 626 OD2 ASP A 39 23.652 11.984 -4.191 1.00 0.00 O ATOM 0 H ASP A 39 23.995 8.864 -4.020 1.00 0.00 H new ATOM 0 HA ASP A 39 23.043 9.226 -6.752 1.00 0.00 H new ATOM 0 HB2 ASP A 39 25.315 10.443 -5.158 1.00 0.00 H new ATOM 0 HB3 ASP A 39 24.875 10.899 -6.792 1.00 0.00 H new ATOM 631 N GLY A 40 24.402 6.941 -7.090 1.00 0.00 N ATOM 632 CA GLY A 40 25.180 5.896 -7.722 1.00 0.00 C ATOM 633 C GLY A 40 24.298 4.675 -7.954 1.00 0.00 C ATOM 634 O GLY A 40 23.964 4.355 -9.093 1.00 0.00 O ATOM 0 H GLY A 40 23.446 6.656 -6.876 1.00 0.00 H new ATOM 0 HA2 GLY A 40 25.584 6.251 -8.670 1.00 0.00 H new ATOM 0 HA3 GLY A 40 26.030 5.630 -7.093 1.00 0.00 H new ATOM 638 N GLU A 41 23.914 4.004 -6.863 1.00 0.00 N ATOM 639 CA GLU A 41 22.961 2.906 -6.880 1.00 0.00 C ATOM 640 C GLU A 41 21.534 3.456 -6.802 1.00 0.00 C ATOM 641 O GLU A 41 20.828 3.254 -5.815 1.00 0.00 O ATOM 642 CB GLU A 41 23.296 1.850 -5.806 1.00 0.00 C ATOM 643 CG GLU A 41 23.423 2.345 -4.354 1.00 0.00 C ATOM 644 CD GLU A 41 24.721 3.107 -4.095 1.00 0.00 C ATOM 645 OE1 GLU A 41 25.750 2.429 -3.886 1.00 0.00 O ATOM 646 OE2 GLU A 41 24.665 4.355 -4.139 1.00 0.00 O ATOM 0 H GLU A 41 24.267 4.218 -5.930 1.00 0.00 H new ATOM 0 HA GLU A 41 23.035 2.370 -7.826 1.00 0.00 H new ATOM 0 HB2 GLU A 41 22.524 1.081 -5.835 1.00 0.00 H new ATOM 0 HB3 GLU A 41 24.235 1.371 -6.084 1.00 0.00 H new ATOM 0 HG2 GLU A 41 22.576 2.991 -4.121 1.00 0.00 H new ATOM 0 HG3 GLU A 41 23.368 1.491 -3.679 1.00 0.00 H new ATOM 653 N TRP A 42 21.109 4.133 -7.878 1.00 0.00 N ATOM 654 CA TRP A 42 19.728 4.544 -8.097 1.00 0.00 C ATOM 655 C TRP A 42 18.882 3.303 -8.384 1.00 0.00 C ATOM 656 O TRP A 42 18.527 3.022 -9.528 1.00 0.00 O ATOM 657 CB TRP A 42 19.666 5.543 -9.255 1.00 0.00 C ATOM 658 CG TRP A 42 20.409 6.821 -9.037 1.00 0.00 C ATOM 659 CD1 TRP A 42 20.030 7.808 -8.197 1.00 0.00 C ATOM 660 CD2 TRP A 42 21.658 7.269 -9.646 1.00 0.00 C ATOM 661 NE1 TRP A 42 20.937 8.845 -8.264 1.00 0.00 N ATOM 662 CE2 TRP A 42 21.968 8.563 -9.136 1.00 0.00 C ATOM 663 CE3 TRP A 42 22.564 6.713 -10.575 1.00 0.00 C ATOM 664 CZ2 TRP A 42 23.117 9.269 -9.525 1.00 0.00 C ATOM 665 CZ3 TRP A 42 23.730 7.403 -10.956 1.00 0.00 C ATOM 666 CH2 TRP A 42 24.009 8.677 -10.433 1.00 0.00 C ATOM 0 H TRP A 42 21.735 4.413 -8.633 1.00 0.00 H new ATOM 0 HA TRP A 42 19.332 5.037 -7.209 1.00 0.00 H new ATOM 0 HB2 TRP A 42 20.060 5.061 -10.150 1.00 0.00 H new ATOM 0 HB3 TRP A 42 18.621 5.779 -9.454 1.00 0.00 H new ATOM 0 HD1 TRP A 42 19.152 7.788 -7.569 1.00 0.00 H new ATOM 0 HE1 TRP A 42 20.855 9.713 -7.734 1.00 0.00 H new ATOM 0 HE3 TRP A 42 22.359 5.742 -11.001 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 23.312 10.255 -9.131 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 24.416 6.950 -11.656 1.00 0.00 H new ATOM 0 HH2 TRP A 42 24.907 9.199 -10.729 1.00 0.00 H new ATOM 677 N GLN A 43 18.580 2.557 -7.318 1.00 0.00 N ATOM 678 CA GLN A 43 17.992 1.231 -7.379 1.00 0.00 C ATOM 679 C GLN A 43 16.969 1.050 -6.260 1.00 0.00 C ATOM 680 O GLN A 43 16.913 1.842 -5.322 1.00 0.00 O ATOM 681 CB GLN A 43 19.100 0.180 -7.235 1.00 0.00 C ATOM 682 CG GLN A 43 20.113 0.199 -8.386 1.00 0.00 C ATOM 683 CD GLN A 43 21.179 -0.884 -8.226 1.00 0.00 C ATOM 684 OE1 GLN A 43 21.025 -1.816 -7.439 1.00 0.00 O ATOM 685 NE2 GLN A 43 22.281 -0.754 -8.966 1.00 0.00 N ATOM 0 H GLN A 43 18.746 2.876 -6.363 1.00 0.00 H new ATOM 0 HA GLN A 43 17.487 1.110 -8.338 1.00 0.00 H new ATOM 0 HB2 GLN A 43 19.627 0.345 -6.295 1.00 0.00 H new ATOM 0 HB3 GLN A 43 18.646 -0.809 -7.177 1.00 0.00 H new ATOM 0 HG2 GLN A 43 19.590 0.057 -9.332 1.00 0.00 H new ATOM 0 HG3 GLN A 43 20.593 1.177 -8.431 1.00 0.00 H new ATOM 0 HE21 GLN A 43 22.374 0.033 -9.609 1.00 0.00 H new ATOM 0 HE22 GLN A 43 23.031 -1.441 -8.889 1.00 0.00 H new ATOM 694 N CYS A 44 16.159 -0.007 -6.377 1.00 0.00 N ATOM 695 CA CYS A 44 15.276 -0.488 -5.326 1.00 0.00 C ATOM 696 C CYS A 44 16.042 -1.577 -4.559 1.00 0.00 C ATOM 697 O CYS A 44 16.862 -2.272 -5.159 1.00 0.00 O ATOM 698 CB CYS A 44 13.957 -0.969 -5.948 1.00 0.00 C ATOM 699 SG CYS A 44 14.052 -2.349 -7.115 1.00 0.00 S ATOM 0 H CYS A 44 16.103 -0.562 -7.231 1.00 0.00 H new ATOM 0 HA CYS A 44 14.998 0.292 -4.617 1.00 0.00 H new ATOM 0 HB2 CYS A 44 13.286 -1.256 -5.138 1.00 0.00 H new ATOM 0 HB3 CYS A 44 13.496 -0.124 -6.460 1.00 0.00 H new ATOM 704 N PRO A 45 15.801 -1.750 -3.249 1.00 0.00 N ATOM 705 CA PRO A 45 16.631 -2.583 -2.388 1.00 0.00 C ATOM 706 C PRO A 45 16.587 -4.076 -2.746 1.00 0.00 C ATOM 707 O PRO A 45 17.424 -4.836 -2.264 1.00 0.00 O ATOM 708 CB PRO A 45 16.102 -2.330 -0.976 1.00 0.00 C ATOM 709 CG PRO A 45 14.608 -2.120 -1.211 1.00 0.00 C ATOM 710 CD PRO A 45 14.558 -1.419 -2.571 1.00 0.00 C ATOM 0 HA PRO A 45 17.683 -2.321 -2.499 1.00 0.00 H new ATOM 0 HB2 PRO A 45 16.293 -3.175 -0.314 1.00 0.00 H new ATOM 0 HB3 PRO A 45 16.567 -1.456 -0.520 1.00 0.00 H new ATOM 0 HG2 PRO A 45 14.067 -3.066 -1.226 1.00 0.00 H new ATOM 0 HG3 PRO A 45 14.160 -1.509 -0.427 1.00 0.00 H new ATOM 0 HD2 PRO A 45 13.698 -1.756 -3.150 1.00 0.00 H new ATOM 0 HD3 PRO A 45 14.457 -0.341 -2.449 1.00 0.00 H new ATOM 718 N ALA A 46 15.629 -4.504 -3.581 1.00 0.00 N ATOM 719 CA ALA A 46 15.597 -5.842 -4.148 1.00 0.00 C ATOM 720 C ALA A 46 16.780 -6.048 -5.092 1.00 0.00 C ATOM 721 O ALA A 46 17.406 -7.107 -5.073 1.00 0.00 O ATOM 722 CB ALA A 46 14.271 -6.049 -4.885 1.00 0.00 C ATOM 0 H ALA A 46 14.850 -3.917 -3.879 1.00 0.00 H new ATOM 0 HA ALA A 46 15.676 -6.577 -3.347 1.00 0.00 H new ATOM 0 HB1 ALA A 46 14.244 -7.052 -5.311 1.00 0.00 H new ATOM 0 HB2 ALA A 46 13.444 -5.930 -4.186 1.00 0.00 H new ATOM 0 HB3 ALA A 46 14.180 -5.313 -5.684 1.00 0.00 H new ATOM 728 N CYS A 47 17.078 -5.042 -5.923 1.00 0.00 N ATOM 729 CA CYS A 47 18.171 -5.097 -6.874 1.00 0.00 C ATOM 730 C CYS A 47 19.528 -5.005 -6.176 1.00 0.00 C ATOM 731 O CYS A 47 20.460 -5.694 -6.581 1.00 0.00 O ATOM 732 CB CYS A 47 18.020 -3.989 -7.915 1.00 0.00 C ATOM 733 SG CYS A 47 16.592 -4.160 -9.013 1.00 0.00 S ATOM 0 H CYS A 47 16.558 -4.165 -5.947 1.00 0.00 H new ATOM 0 HA CYS A 47 18.130 -6.062 -7.379 1.00 0.00 H new ATOM 0 HB2 CYS A 47 17.949 -3.032 -7.398 1.00 0.00 H new ATOM 0 HB3 CYS A 47 18.924 -3.956 -8.522 1.00 0.00 H new ATOM 738 N GLN A 48 19.636 -4.176 -5.127 1.00 0.00 N ATOM 739 CA GLN A 48 20.905 -3.826 -4.505 1.00 0.00 C ATOM 740 C GLN A 48 21.489 -5.046 -3.778 1.00 0.00 C ATOM 741 O GLN A 48 20.929 -5.458 -2.764 1.00 0.00 O ATOM 742 CB GLN A 48 20.674 -2.697 -3.492 1.00 0.00 C ATOM 743 CG GLN A 48 20.335 -1.359 -4.160 1.00 0.00 C ATOM 744 CD GLN A 48 20.136 -0.233 -3.143 1.00 0.00 C ATOM 745 OE1 GLN A 48 19.755 -0.474 -1.998 1.00 0.00 O ATOM 746 NE2 GLN A 48 20.380 1.013 -3.557 1.00 0.00 N ATOM 0 H GLN A 48 18.831 -3.729 -4.688 1.00 0.00 H new ATOM 0 HA GLN A 48 21.604 -3.500 -5.275 1.00 0.00 H new ATOM 0 HB2 GLN A 48 19.863 -2.978 -2.820 1.00 0.00 H new ATOM 0 HB3 GLN A 48 21.568 -2.576 -2.880 1.00 0.00 H new ATOM 0 HG2 GLN A 48 21.135 -1.086 -4.848 1.00 0.00 H new ATOM 0 HG3 GLN A 48 19.429 -1.472 -4.755 1.00 0.00 H new ATOM 0 HE21 GLN A 48 20.695 1.180 -4.513 1.00 0.00 H new ATOM 0 HE22 GLN A 48 20.251 1.797 -2.918 1.00 0.00 H new ATOM 755 N PRO A 49 22.600 -5.635 -4.261 1.00 0.00 N ATOM 756 CA PRO A 49 23.111 -6.888 -3.729 1.00 0.00 C ATOM 757 C PRO A 49 23.762 -6.663 -2.361 1.00 0.00 C ATOM 758 O PRO A 49 23.478 -7.394 -1.414 1.00 0.00 O ATOM 759 CB PRO A 49 24.108 -7.396 -4.775 1.00 0.00 C ATOM 760 CG PRO A 49 24.626 -6.121 -5.440 1.00 0.00 C ATOM 761 CD PRO A 49 23.440 -5.158 -5.352 1.00 0.00 C ATOM 0 HA PRO A 49 22.324 -7.623 -3.560 1.00 0.00 H new ATOM 0 HB2 PRO A 49 24.917 -7.963 -4.314 1.00 0.00 H new ATOM 0 HB3 PRO A 49 23.628 -8.056 -5.497 1.00 0.00 H new ATOM 0 HG2 PRO A 49 25.501 -5.727 -4.923 1.00 0.00 H new ATOM 0 HG3 PRO A 49 24.921 -6.300 -6.474 1.00 0.00 H new ATOM 0 HD2 PRO A 49 23.780 -4.140 -5.163 1.00 0.00 H new ATOM 0 HD3 PRO A 49 22.885 -5.140 -6.290 1.00 0.00 H new ATOM 769 N ALA A 50 24.627 -5.645 -2.262 1.00 0.00 N ATOM 770 CA ALA A 50 25.180 -5.148 -1.013 1.00 0.00 C ATOM 771 C ALA A 50 25.623 -3.698 -1.225 1.00 0.00 C ATOM 772 O ALA A 50 26.800 -3.373 -1.079 1.00 0.00 O ATOM 773 CB ALA A 50 26.339 -6.046 -0.561 1.00 0.00 C ATOM 0 H ALA A 50 24.966 -5.135 -3.078 1.00 0.00 H new ATOM 0 HA ALA A 50 24.432 -5.170 -0.221 1.00 0.00 H new ATOM 0 HB1 ALA A 50 26.749 -5.668 0.376 1.00 0.00 H new ATOM 0 HB2 ALA A 50 25.975 -7.063 -0.413 1.00 0.00 H new ATOM 0 HB3 ALA A 50 27.118 -6.046 -1.324 1.00 0.00 H new ATOM 779 N THR A 51 24.669 -2.841 -1.609 1.00 0.00 N ATOM 780 CA THR A 51 24.884 -1.431 -1.911 1.00 0.00 C ATOM 781 C THR A 51 23.724 -0.615 -1.339 1.00 0.00 C ATOM 782 O THR A 51 23.905 0.610 -1.173 1.00 0.00 O ATOM 783 CB THR A 51 25.018 -1.218 -3.429 1.00 0.00 C ATOM 784 OG1 THR A 51 23.841 -1.621 -4.099 1.00 0.00 O ATOM 785 CG2 THR A 51 26.214 -1.970 -4.019 1.00 0.00 C ATOM 786 OXT THR A 51 22.668 -1.224 -1.061 1.00 0.00 O ATOM 0 H THR A 51 23.696 -3.125 -1.720 1.00 0.00 H new ATOM 0 HA THR A 51 25.814 -1.096 -1.451 1.00 0.00 H new ATOM 0 HB THR A 51 25.180 -0.150 -3.577 1.00 0.00 H new ATOM 0 HG1 THR A 51 23.947 -1.476 -5.062 1.00 0.00 H new ATOM 0 HG21 THR A 51 26.265 -1.787 -5.092 1.00 0.00 H new ATOM 0 HG22 THR A 51 27.132 -1.620 -3.547 1.00 0.00 H new ATOM 0 HG23 THR A 51 26.097 -3.038 -3.838 1.00 0.00 H new TER 794 THR A 51 HETATM 795 ZN ZN A 52 6.685 4.439 -0.273 1.00 0.00 ZN HETATM 796 ZN ZN A 53 15.031 -2.485 -9.188 1.00 0.00 ZN