USER MOD reduce.3.24.130724 H: found=0, std=0, add=279, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 279 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ILE N :NH3+ 176:sc= -0.202 (180deg=-0.28) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.553 K(o=-0.55,f=-1.6) USER MOD Single : A 18 LYS NZ :NH3+ -172:sc=-0.00468 (180deg=-0.104) USER MOD Single : A 20 THR OG1 : rot -61:sc= 1.37 USER MOD Single : A 24 ASN : amide:sc= 0.968 K(o=0.97,f=-0.68) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN :FLIP amide:sc= -1.26 F(o=-2.5!,f=-1.3) USER MOD Single : A 30 LYS NZ :NH3+ 157:sc= 0.359 (180deg=-0.188) USER MOD Single : A 31 THR OG1 : rot 34:sc= 1.23 USER MOD Single : A 33 LYS NZ :NH3+ -169:sc= -0.0204 (180deg=-0.172) USER MOD Single : A 35 TYR OH : rot 165:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -2.636 -8.994 -7.055 1.00 0.00 N ATOM 2 CA ILE A 1 -2.418 -8.105 -5.893 1.00 0.00 C ATOM 3 C ILE A 1 -3.214 -8.585 -4.684 1.00 0.00 C ATOM 4 O ILE A 1 -4.439 -8.721 -4.738 1.00 0.00 O ATOM 5 CB ILE A 1 -2.777 -6.633 -6.212 1.00 0.00 C ATOM 6 CG1 ILE A 1 -4.197 -6.519 -6.783 1.00 0.00 C ATOM 7 CG2 ILE A 1 -1.760 -6.045 -7.182 1.00 0.00 C ATOM 8 CD1 ILE A 1 -4.648 -5.092 -7.024 1.00 0.00 C ATOM 0 H1 ILE A 1 -2.139 -8.610 -7.884 1.00 0.00 H new ATOM 0 H2 ILE A 1 -2.269 -9.943 -6.840 1.00 0.00 H new ATOM 0 H3 ILE A 1 -3.654 -9.055 -7.259 1.00 0.00 H new ATOM 0 HA ILE A 1 -1.354 -8.146 -5.658 1.00 0.00 H new ATOM 0 HB ILE A 1 -2.747 -6.065 -5.282 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -4.246 -7.069 -7.723 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -4.894 -6.999 -6.096 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -2.022 -5.010 -7.400 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -0.767 -6.082 -6.735 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -1.763 -6.622 -8.107 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -5.661 -5.094 -7.428 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -4.633 -4.542 -6.083 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -3.975 -4.613 -7.735 1.00 0.00 H new ATOM 22 N GLU A 2 -2.507 -8.866 -3.601 1.00 0.00 N ATOM 23 CA GLU A 2 -3.133 -9.331 -2.373 1.00 0.00 C ATOM 24 C GLU A 2 -3.770 -8.171 -1.623 1.00 0.00 C ATOM 25 O GLU A 2 -3.339 -7.023 -1.747 1.00 0.00 O ATOM 26 CB GLU A 2 -2.101 -10.035 -1.495 1.00 0.00 C ATOM 27 CG GLU A 2 -0.893 -9.173 -1.173 1.00 0.00 C ATOM 28 CD GLU A 2 0.242 -9.970 -0.574 1.00 0.00 C ATOM 29 OE1 GLU A 2 0.875 -10.749 -1.317 1.00 0.00 O ATOM 30 OE2 GLU A 2 0.537 -9.800 0.625 1.00 0.00 O ATOM 0 H GLU A 2 -1.492 -8.779 -3.548 1.00 0.00 H new ATOM 0 HA GLU A 2 -3.919 -10.041 -2.629 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -2.577 -10.343 -0.564 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -1.767 -10.943 -1.997 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -0.548 -8.682 -2.083 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -1.187 -8.386 -0.478 1.00 0.00 H new ATOM 37 N ALA A 3 -4.802 -8.476 -0.854 1.00 0.00 N ATOM 38 CA ALA A 3 -5.518 -7.456 -0.111 1.00 0.00 C ATOM 39 C ALA A 3 -4.803 -7.120 1.192 1.00 0.00 C ATOM 40 O ALA A 3 -5.024 -7.763 2.219 1.00 0.00 O ATOM 41 CB ALA A 3 -6.945 -7.903 0.167 1.00 0.00 C ATOM 0 H ALA A 3 -5.162 -9.422 -0.729 1.00 0.00 H new ATOM 0 HA ALA A 3 -5.546 -6.554 -0.722 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -7.467 -7.126 0.725 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -7.461 -8.081 -0.777 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -6.931 -8.823 0.752 1.00 0.00 H new ATOM 47 N ILE A 4 -3.935 -6.122 1.136 1.00 0.00 N ATOM 48 CA ILE A 4 -3.283 -5.612 2.332 1.00 0.00 C ATOM 49 C ILE A 4 -4.250 -4.690 3.067 1.00 0.00 C ATOM 50 O ILE A 4 -4.489 -3.561 2.636 1.00 0.00 O ATOM 51 CB ILE A 4 -1.978 -4.848 1.984 1.00 0.00 C ATOM 52 CG1 ILE A 4 -1.013 -5.769 1.228 1.00 0.00 C ATOM 53 CG2 ILE A 4 -1.308 -4.295 3.242 1.00 0.00 C ATOM 54 CD1 ILE A 4 0.245 -5.074 0.752 1.00 0.00 C ATOM 0 H ILE A 4 -3.665 -5.648 0.274 1.00 0.00 H new ATOM 0 HA ILE A 4 -3.011 -6.454 2.969 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.239 -4.005 1.345 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -0.735 -6.600 1.876 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -1.530 -6.195 0.368 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -0.396 -3.765 2.966 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -1.989 -3.608 3.745 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.060 -5.117 3.914 1.00 0.00 H new ATOM 0 HD11 ILE A 4 0.879 -5.788 0.226 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -0.022 -4.260 0.077 1.00 0.00 H new ATOM 0 HD13 ILE A 4 0.785 -4.672 1.609 1.00 0.00 H new ATOM 66 N ARG A 5 -4.843 -5.193 4.146 1.00 0.00 N ATOM 67 CA ARG A 5 -5.807 -4.416 4.911 1.00 0.00 C ATOM 68 C ARG A 5 -5.114 -3.309 5.683 1.00 0.00 C ATOM 69 O ARG A 5 -4.195 -3.556 6.463 1.00 0.00 O ATOM 70 CB ARG A 5 -6.606 -5.305 5.867 1.00 0.00 C ATOM 71 CG ARG A 5 -7.766 -6.029 5.203 1.00 0.00 C ATOM 72 CD ARG A 5 -8.741 -5.045 4.573 1.00 0.00 C ATOM 73 NE ARG A 5 -9.914 -5.710 4.013 1.00 0.00 N ATOM 74 CZ ARG A 5 -10.619 -5.237 2.986 1.00 0.00 C ATOM 75 NH1 ARG A 5 -10.254 -4.110 2.386 1.00 0.00 N ATOM 76 NH2 ARG A 5 -11.688 -5.892 2.557 1.00 0.00 N ATOM 0 H ARG A 5 -4.672 -6.131 4.507 1.00 0.00 H new ATOM 0 HA ARG A 5 -6.503 -3.967 4.202 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -5.936 -6.041 6.310 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -6.991 -4.693 6.683 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -7.385 -6.707 4.439 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -8.287 -6.640 5.940 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -9.060 -4.322 5.324 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -8.233 -4.486 3.787 1.00 0.00 H new ATOM 0 HE ARG A 5 -10.212 -6.590 4.434 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -9.431 -3.603 2.711 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -10.797 -3.752 1.600 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -11.972 -6.759 3.013 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -12.227 -5.529 1.771 1.00 0.00 H new ATOM 90 N CYS A 6 -5.576 -2.094 5.467 1.00 0.00 N ATOM 91 CA CYS A 6 -4.958 -0.921 6.056 1.00 0.00 C ATOM 92 C CYS A 6 -5.959 -0.119 6.878 1.00 0.00 C ATOM 93 O CYS A 6 -7.168 -0.337 6.790 1.00 0.00 O ATOM 94 CB CYS A 6 -4.387 -0.048 4.943 1.00 0.00 C ATOM 95 SG CYS A 6 -5.500 0.117 3.502 1.00 0.00 S ATOM 0 H CYS A 6 -6.386 -1.891 4.881 1.00 0.00 H new ATOM 0 HA CYS A 6 -4.162 -1.247 6.725 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -4.174 0.943 5.343 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -3.438 -0.469 4.612 1.00 0.00 H new ATOM 100 N GLY A 7 -5.436 0.780 7.697 1.00 0.00 N ATOM 101 CA GLY A 7 -6.270 1.732 8.402 1.00 0.00 C ATOM 102 C GLY A 7 -5.907 3.149 8.018 1.00 0.00 C ATOM 103 O GLY A 7 -6.244 4.107 8.716 1.00 0.00 O ATOM 0 H GLY A 7 -4.438 0.868 7.888 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.319 1.545 8.171 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.152 1.600 9.477 1.00 0.00 H new ATOM 107 N GLY A 8 -5.221 3.273 6.890 1.00 0.00 N ATOM 108 CA GLY A 8 -4.733 4.557 6.442 1.00 0.00 C ATOM 109 C GLY A 8 -3.625 4.406 5.422 1.00 0.00 C ATOM 110 O GLY A 8 -3.103 3.307 5.232 1.00 0.00 O ATOM 0 H GLY A 8 -4.993 2.494 6.272 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -5.554 5.127 6.007 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -4.367 5.126 7.296 1.00 0.00 H new ATOM 114 N SER A 9 -3.263 5.501 4.772 1.00 0.00 N ATOM 115 CA SER A 9 -2.203 5.485 3.771 1.00 0.00 C ATOM 116 C SER A 9 -0.860 5.167 4.420 1.00 0.00 C ATOM 117 O SER A 9 -0.037 4.440 3.860 1.00 0.00 O ATOM 118 CB SER A 9 -2.144 6.833 3.050 1.00 0.00 C ATOM 119 OG SER A 9 -2.031 7.908 3.972 1.00 0.00 O ATOM 0 H SER A 9 -3.688 6.416 4.919 1.00 0.00 H new ATOM 0 HA SER A 9 -2.422 4.706 3.041 1.00 0.00 H new ATOM 0 HB2 SER A 9 -1.294 6.846 2.368 1.00 0.00 H new ATOM 0 HB3 SER A 9 -3.041 6.963 2.445 1.00 0.00 H new ATOM 0 HG SER A 9 -1.994 8.756 3.483 1.00 0.00 H new ATOM 125 N ARG A 10 -0.667 5.687 5.627 1.00 0.00 N ATOM 126 CA ARG A 10 0.559 5.459 6.381 1.00 0.00 C ATOM 127 C ARG A 10 0.690 3.997 6.792 1.00 0.00 C ATOM 128 O ARG A 10 1.776 3.529 7.132 1.00 0.00 O ATOM 129 CB ARG A 10 0.590 6.351 7.620 1.00 0.00 C ATOM 130 CG ARG A 10 0.765 7.826 7.306 1.00 0.00 C ATOM 131 CD ARG A 10 0.715 8.664 8.572 1.00 0.00 C ATOM 132 NE ARG A 10 1.509 8.073 9.649 1.00 0.00 N ATOM 133 CZ ARG A 10 1.799 8.691 10.792 1.00 0.00 C ATOM 134 NH1 ARG A 10 1.498 9.973 10.957 1.00 0.00 N ATOM 135 NH2 ARG A 10 2.417 8.028 11.760 1.00 0.00 N ATOM 0 H ARG A 10 -1.350 6.274 6.107 1.00 0.00 H new ATOM 0 HA ARG A 10 1.401 5.709 5.735 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -0.336 6.215 8.178 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.404 6.028 8.269 1.00 0.00 H new ATOM 0 HG2 ARG A 10 1.717 7.983 6.800 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.018 8.150 6.620 1.00 0.00 H new ATOM 0 HD2 ARG A 10 1.083 9.667 8.358 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -0.320 8.767 8.898 1.00 0.00 H new ATOM 0 HE ARG A 10 1.864 7.126 9.516 1.00 0.00 H new ATOM 0 HH11 ARG A 10 1.042 10.491 10.206 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.723 10.441 11.835 1.00 0.00 H new ATOM 0 HH21 ARG A 10 2.668 7.048 11.627 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.641 8.498 12.637 1.00 0.00 H new ATOM 149 N ASP A 11 -0.419 3.276 6.734 1.00 0.00 N ATOM 150 CA ASP A 11 -0.449 1.871 7.124 1.00 0.00 C ATOM 151 C ASP A 11 -0.003 1.008 5.958 1.00 0.00 C ATOM 152 O ASP A 11 0.281 -0.180 6.108 1.00 0.00 O ATOM 153 CB ASP A 11 -1.862 1.471 7.566 1.00 0.00 C ATOM 154 CG ASP A 11 -2.197 1.927 8.977 1.00 0.00 C ATOM 155 OD1 ASP A 11 -1.921 3.098 9.316 1.00 0.00 O ATOM 156 OD2 ASP A 11 -2.739 1.111 9.751 1.00 0.00 O ATOM 0 H ASP A 11 -1.317 3.642 6.419 1.00 0.00 H new ATOM 0 HA ASP A 11 0.232 1.721 7.962 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.587 1.895 6.872 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.961 0.387 7.508 1.00 0.00 H new ATOM 161 N CYS A 12 0.077 1.638 4.798 1.00 0.00 N ATOM 162 CA CYS A 12 0.420 0.952 3.567 1.00 0.00 C ATOM 163 C CYS A 12 1.874 1.183 3.179 1.00 0.00 C ATOM 164 O CYS A 12 2.415 0.476 2.327 1.00 0.00 O ATOM 165 CB CYS A 12 -0.495 1.438 2.453 1.00 0.00 C ATOM 166 SG CYS A 12 -2.227 0.940 2.657 1.00 0.00 S ATOM 0 H CYS A 12 -0.094 2.637 4.685 1.00 0.00 H new ATOM 0 HA CYS A 12 0.287 -0.118 3.724 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -0.443 2.526 2.402 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -0.127 1.056 1.501 1.00 0.00 H new ATOM 171 N TYR A 13 2.510 2.163 3.809 1.00 0.00 N ATOM 172 CA TYR A 13 3.889 2.497 3.484 1.00 0.00 C ATOM 173 C TYR A 13 4.805 1.314 3.714 1.00 0.00 C ATOM 174 O TYR A 13 5.413 0.832 2.775 1.00 0.00 O ATOM 175 CB TYR A 13 4.392 3.686 4.299 1.00 0.00 C ATOM 176 CG TYR A 13 3.679 4.986 4.009 1.00 0.00 C ATOM 177 CD1 TYR A 13 2.993 5.181 2.816 1.00 0.00 C ATOM 178 CD2 TYR A 13 3.704 6.027 4.927 1.00 0.00 C ATOM 179 CE1 TYR A 13 2.353 6.376 2.546 1.00 0.00 C ATOM 180 CE2 TYR A 13 3.066 7.223 4.667 1.00 0.00 C ATOM 181 CZ TYR A 13 2.393 7.393 3.475 1.00 0.00 C ATOM 182 OH TYR A 13 1.766 8.589 3.214 1.00 0.00 O ATOM 0 H TYR A 13 2.095 2.737 4.543 1.00 0.00 H new ATOM 0 HA TYR A 13 3.904 2.767 2.428 1.00 0.00 H new ATOM 0 HB2 TYR A 13 4.286 3.456 5.359 1.00 0.00 H new ATOM 0 HB3 TYR A 13 5.457 3.819 4.107 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.959 4.385 2.087 1.00 0.00 H new ATOM 0 HD2 TYR A 13 4.232 5.899 5.861 1.00 0.00 H new ATOM 0 HE1 TYR A 13 1.825 6.512 1.614 1.00 0.00 H new ATOM 0 HE2 TYR A 13 3.094 8.022 5.393 1.00 0.00 H new ATOM 0 HH TYR A 13 1.890 9.196 3.973 1.00 0.00 H new ATOM 192 N ARG A 14 4.882 0.839 4.950 1.00 0.00 N ATOM 193 CA ARG A 14 5.844 -0.202 5.299 1.00 0.00 C ATOM 194 C ARG A 14 5.746 -1.414 4.353 1.00 0.00 C ATOM 195 O ARG A 14 6.754 -1.792 3.757 1.00 0.00 O ATOM 196 CB ARG A 14 5.691 -0.618 6.769 1.00 0.00 C ATOM 197 CG ARG A 14 6.924 -1.303 7.344 1.00 0.00 C ATOM 198 CD ARG A 14 7.033 -2.755 6.915 1.00 0.00 C ATOM 199 NE ARG A 14 8.410 -3.234 6.987 1.00 0.00 N ATOM 200 CZ ARG A 14 8.751 -4.520 7.045 1.00 0.00 C ATOM 201 NH1 ARG A 14 7.820 -5.460 7.158 1.00 0.00 N ATOM 202 NH2 ARG A 14 10.029 -4.866 7.017 1.00 0.00 N ATOM 0 H ARG A 14 4.296 1.154 5.723 1.00 0.00 H new ATOM 0 HA ARG A 14 6.843 0.216 5.172 1.00 0.00 H new ATOM 0 HB2 ARG A 14 5.466 0.266 7.366 1.00 0.00 H new ATOM 0 HB3 ARG A 14 4.838 -1.290 6.860 1.00 0.00 H new ATOM 0 HG2 ARG A 14 7.817 -0.765 7.025 1.00 0.00 H new ATOM 0 HG3 ARG A 14 6.891 -1.250 8.432 1.00 0.00 H new ATOM 0 HD2 ARG A 14 6.399 -3.372 7.552 1.00 0.00 H new ATOM 0 HD3 ARG A 14 6.662 -2.863 5.896 1.00 0.00 H new ATOM 0 HE ARG A 14 9.158 -2.540 6.993 1.00 0.00 H new ATOM 0 HH11 ARG A 14 6.835 -5.199 7.201 1.00 0.00 H new ATOM 0 HH12 ARG A 14 8.090 -6.443 7.202 1.00 0.00 H new ATOM 0 HH21 ARG A 14 10.750 -4.148 6.951 1.00 0.00 H new ATOM 0 HH22 ARG A 14 10.292 -5.851 7.061 1.00 0.00 H new ATOM 216 N PRO A 15 4.553 -2.040 4.187 1.00 0.00 N ATOM 217 CA PRO A 15 4.385 -3.156 3.250 1.00 0.00 C ATOM 218 C PRO A 15 4.849 -2.804 1.839 1.00 0.00 C ATOM 219 O PRO A 15 5.794 -3.401 1.327 1.00 0.00 O ATOM 220 CB PRO A 15 2.875 -3.450 3.260 1.00 0.00 C ATOM 221 CG PRO A 15 2.239 -2.336 4.019 1.00 0.00 C ATOM 222 CD PRO A 15 3.301 -1.746 4.904 1.00 0.00 C ATOM 0 HA PRO A 15 4.988 -4.013 3.549 1.00 0.00 H new ATOM 0 HB2 PRO A 15 2.482 -3.503 2.245 1.00 0.00 H new ATOM 0 HB3 PRO A 15 2.669 -4.410 3.732 1.00 0.00 H new ATOM 0 HG2 PRO A 15 1.842 -1.583 3.338 1.00 0.00 H new ATOM 0 HG3 PRO A 15 1.402 -2.702 4.613 1.00 0.00 H new ATOM 0 HD2 PRO A 15 3.159 -0.674 5.040 1.00 0.00 H new ATOM 0 HD3 PRO A 15 3.292 -2.197 5.896 1.00 0.00 H new ATOM 230 N CYS A 16 4.214 -1.814 1.225 1.00 0.00 N ATOM 231 CA CYS A 16 4.485 -1.495 -0.172 1.00 0.00 C ATOM 232 C CYS A 16 5.915 -0.993 -0.366 1.00 0.00 C ATOM 233 O CYS A 16 6.553 -1.301 -1.376 1.00 0.00 O ATOM 234 CB CYS A 16 3.478 -0.471 -0.693 1.00 0.00 C ATOM 235 SG CYS A 16 1.739 -0.955 -0.437 1.00 0.00 S ATOM 0 H CYS A 16 3.512 -1.221 1.668 1.00 0.00 H new ATOM 0 HA CYS A 16 4.378 -2.414 -0.749 1.00 0.00 H new ATOM 0 HB2 CYS A 16 3.656 0.484 -0.199 1.00 0.00 H new ATOM 0 HB3 CYS A 16 3.649 -0.316 -1.758 1.00 0.00 H new ATOM 240 N GLN A 17 6.425 -0.246 0.607 1.00 0.00 N ATOM 241 CA GLN A 17 7.790 0.266 0.550 1.00 0.00 C ATOM 242 C GLN A 17 8.775 -0.899 0.591 1.00 0.00 C ATOM 243 O GLN A 17 9.701 -0.965 -0.210 1.00 0.00 O ATOM 244 CB GLN A 17 8.053 1.238 1.718 1.00 0.00 C ATOM 245 CG GLN A 17 9.239 2.176 1.501 1.00 0.00 C ATOM 246 CD GLN A 17 10.594 1.499 1.621 1.00 0.00 C ATOM 247 OE1 GLN A 17 10.768 0.546 2.382 1.00 0.00 O ATOM 248 NE2 GLN A 17 11.560 1.980 0.857 1.00 0.00 N ATOM 0 H GLN A 17 5.912 0.019 1.448 1.00 0.00 H new ATOM 0 HA GLN A 17 7.925 0.814 -0.382 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.158 1.836 1.886 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.224 0.659 2.626 1.00 0.00 H new ATOM 0 HG2 GLN A 17 9.156 2.627 0.512 1.00 0.00 H new ATOM 0 HG3 GLN A 17 9.184 2.987 2.227 1.00 0.00 H new ATOM 0 HE21 GLN A 17 11.376 2.771 0.240 1.00 0.00 H new ATOM 0 HE22 GLN A 17 12.489 1.560 0.885 1.00 0.00 H new ATOM 257 N LYS A 18 8.544 -1.827 1.515 1.00 0.00 N ATOM 258 CA LYS A 18 9.412 -2.988 1.684 1.00 0.00 C ATOM 259 C LYS A 18 9.399 -3.850 0.421 1.00 0.00 C ATOM 260 O LYS A 18 10.437 -4.327 -0.029 1.00 0.00 O ATOM 261 CB LYS A 18 8.936 -3.815 2.892 1.00 0.00 C ATOM 262 CG LYS A 18 10.010 -4.681 3.550 1.00 0.00 C ATOM 263 CD LYS A 18 10.438 -5.865 2.689 1.00 0.00 C ATOM 264 CE LYS A 18 9.283 -6.819 2.407 1.00 0.00 C ATOM 265 NZ LYS A 18 8.712 -7.405 3.650 1.00 0.00 N ATOM 0 H LYS A 18 7.757 -1.797 2.163 1.00 0.00 H new ATOM 0 HA LYS A 18 10.432 -2.647 1.860 1.00 0.00 H new ATOM 0 HB2 LYS A 18 8.531 -3.135 3.641 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.118 -4.460 2.571 1.00 0.00 H new ATOM 0 HG2 LYS A 18 10.882 -4.064 3.767 1.00 0.00 H new ATOM 0 HG3 LYS A 18 9.635 -5.051 4.504 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.843 -5.499 1.746 1.00 0.00 H new ATOM 0 HD3 LYS A 18 11.240 -6.406 3.191 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.500 -6.287 1.867 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.630 -7.622 1.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.025 -8.145 3.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.476 -7.820 4.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.236 -6.660 4.198 1.00 0.00 H new ATOM 279 N ARG A 19 8.213 -4.028 -0.147 1.00 0.00 N ATOM 280 CA ARG A 19 8.022 -4.926 -1.285 1.00 0.00 C ATOM 281 C ARG A 19 8.550 -4.323 -2.585 1.00 0.00 C ATOM 282 O ARG A 19 9.290 -4.976 -3.322 1.00 0.00 O ATOM 283 CB ARG A 19 6.536 -5.264 -1.438 1.00 0.00 C ATOM 284 CG ARG A 19 5.931 -5.877 -0.187 1.00 0.00 C ATOM 285 CD ARG A 19 4.433 -6.070 -0.320 1.00 0.00 C ATOM 286 NE ARG A 19 4.090 -7.118 -1.274 1.00 0.00 N ATOM 287 CZ ARG A 19 3.168 -8.041 -1.042 1.00 0.00 C ATOM 288 NH1 ARG A 19 2.517 -8.045 0.114 1.00 0.00 N ATOM 289 NH2 ARG A 19 2.899 -8.961 -1.959 1.00 0.00 N ATOM 0 H ARG A 19 7.361 -3.560 0.163 1.00 0.00 H new ATOM 0 HA ARG A 19 8.591 -5.834 -1.086 1.00 0.00 H new ATOM 0 HB2 ARG A 19 5.988 -4.357 -1.692 1.00 0.00 H new ATOM 0 HB3 ARG A 19 6.411 -5.956 -2.271 1.00 0.00 H new ATOM 0 HG2 ARG A 19 6.405 -6.838 0.012 1.00 0.00 H new ATOM 0 HG3 ARG A 19 6.140 -5.236 0.669 1.00 0.00 H new ATOM 0 HD2 ARG A 19 4.013 -6.318 0.655 1.00 0.00 H new ATOM 0 HD3 ARG A 19 3.975 -5.132 -0.634 1.00 0.00 H new ATOM 0 HE ARG A 19 4.585 -7.142 -2.165 1.00 0.00 H new ATOM 0 HH11 ARG A 19 2.727 -7.339 0.820 1.00 0.00 H new ATOM 0 HH12 ARG A 19 1.806 -8.754 0.297 1.00 0.00 H new ATOM 0 HH21 ARG A 19 3.403 -8.959 -2.846 1.00 0.00 H new ATOM 0 HH22 ARG A 19 2.189 -9.670 -1.777 1.00 0.00 H new ATOM 303 N THR A 20 8.180 -3.081 -2.864 1.00 0.00 N ATOM 304 CA THR A 20 8.505 -2.474 -4.148 1.00 0.00 C ATOM 305 C THR A 20 9.805 -1.674 -4.082 1.00 0.00 C ATOM 306 O THR A 20 10.647 -1.762 -4.979 1.00 0.00 O ATOM 307 CB THR A 20 7.362 -1.557 -4.636 1.00 0.00 C ATOM 308 OG1 THR A 20 7.236 -0.420 -3.770 1.00 0.00 O ATOM 309 CG2 THR A 20 6.039 -2.310 -4.671 1.00 0.00 C ATOM 0 H THR A 20 7.660 -2.479 -2.226 1.00 0.00 H new ATOM 0 HA THR A 20 8.636 -3.291 -4.858 1.00 0.00 H new ATOM 0 HB THR A 20 7.606 -1.224 -5.645 1.00 0.00 H new ATOM 0 HG1 THR A 20 7.028 -0.722 -2.861 1.00 0.00 H new ATOM 0 HG21 THR A 20 5.250 -1.643 -5.018 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.121 -3.159 -5.350 1.00 0.00 H new ATOM 0 HG23 THR A 20 5.798 -2.668 -3.670 1.00 0.00 H new ATOM 317 N GLY A 21 9.972 -0.914 -3.009 1.00 0.00 N ATOM 318 CA GLY A 21 11.122 -0.043 -2.874 1.00 0.00 C ATOM 319 C GLY A 21 10.707 1.394 -2.633 1.00 0.00 C ATOM 320 O GLY A 21 11.470 2.198 -2.095 1.00 0.00 O ATOM 0 H GLY A 21 9.324 -0.886 -2.222 1.00 0.00 H new ATOM 0 HA2 GLY A 21 11.744 -0.386 -2.048 1.00 0.00 H new ATOM 0 HA3 GLY A 21 11.731 -0.100 -3.776 1.00 0.00 H new ATOM 324 N CYS A 22 9.482 1.714 -3.021 1.00 0.00 N ATOM 325 CA CYS A 22 8.957 3.059 -2.854 1.00 0.00 C ATOM 326 C CYS A 22 7.708 3.026 -1.976 1.00 0.00 C ATOM 327 O CYS A 22 6.876 2.128 -2.109 1.00 0.00 O ATOM 328 CB CYS A 22 8.634 3.673 -4.215 1.00 0.00 C ATOM 329 SG CYS A 22 10.005 3.585 -5.415 1.00 0.00 S ATOM 0 H CYS A 22 8.832 1.058 -3.455 1.00 0.00 H new ATOM 0 HA CYS A 22 9.713 3.675 -2.367 1.00 0.00 H new ATOM 0 HB2 CYS A 22 7.765 3.165 -4.634 1.00 0.00 H new ATOM 0 HB3 CYS A 22 8.355 4.717 -4.074 1.00 0.00 H new ATOM 334 N PRO A 23 7.563 4.002 -1.067 1.00 0.00 N ATOM 335 CA PRO A 23 6.466 4.027 -0.092 1.00 0.00 C ATOM 336 C PRO A 23 5.143 4.515 -0.678 1.00 0.00 C ATOM 337 O PRO A 23 4.142 4.585 0.029 1.00 0.00 O ATOM 338 CB PRO A 23 6.970 5.009 0.962 1.00 0.00 C ATOM 339 CG PRO A 23 7.833 5.957 0.205 1.00 0.00 C ATOM 340 CD PRO A 23 8.466 5.161 -0.906 1.00 0.00 C ATOM 0 HA PRO A 23 6.243 3.029 0.285 1.00 0.00 H new ATOM 0 HB2 PRO A 23 6.144 5.527 1.449 1.00 0.00 H new ATOM 0 HB3 PRO A 23 7.532 4.498 1.744 1.00 0.00 H new ATOM 0 HG2 PRO A 23 7.245 6.783 -0.195 1.00 0.00 H new ATOM 0 HG3 PRO A 23 8.594 6.392 0.853 1.00 0.00 H new ATOM 0 HD2 PRO A 23 8.538 5.743 -1.825 1.00 0.00 H new ATOM 0 HD3 PRO A 23 9.477 4.847 -0.648 1.00 0.00 H new ATOM 348 N ASN A 24 5.144 4.859 -1.961 1.00 0.00 N ATOM 349 CA ASN A 24 3.933 5.338 -2.625 1.00 0.00 C ATOM 350 C ASN A 24 2.848 4.274 -2.605 1.00 0.00 C ATOM 351 O ASN A 24 2.909 3.292 -3.351 1.00 0.00 O ATOM 352 CB ASN A 24 4.220 5.743 -4.069 1.00 0.00 C ATOM 353 CG ASN A 24 5.132 6.949 -4.174 1.00 0.00 C ATOM 354 OD1 ASN A 24 5.088 7.853 -3.338 1.00 0.00 O ATOM 355 ND2 ASN A 24 5.976 6.962 -5.191 1.00 0.00 N ATOM 0 H ASN A 24 5.967 4.816 -2.562 1.00 0.00 H new ATOM 0 HA ASN A 24 3.586 6.213 -2.076 1.00 0.00 H new ATOM 0 HB2 ASN A 24 4.676 4.903 -4.593 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.279 5.961 -4.574 1.00 0.00 H new ATOM 0 HD21 ASN A 24 6.624 7.741 -5.306 1.00 0.00 H new ATOM 0 HD22 ASN A 24 5.979 6.193 -5.861 1.00 0.00 H new ATOM 362 N ALA A 25 1.868 4.469 -1.741 1.00 0.00 N ATOM 363 CA ALA A 25 0.757 3.549 -1.606 1.00 0.00 C ATOM 364 C ALA A 25 -0.440 4.267 -1.017 1.00 0.00 C ATOM 365 O ALA A 25 -0.283 5.172 -0.198 1.00 0.00 O ATOM 366 CB ALA A 25 1.149 2.377 -0.725 1.00 0.00 C ATOM 0 H ALA A 25 1.822 5.271 -1.113 1.00 0.00 H new ATOM 0 HA ALA A 25 0.492 3.170 -2.593 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.305 1.694 -0.632 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.993 1.852 -1.172 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.431 2.742 0.263 1.00 0.00 H new ATOM 372 N LYS A 26 -1.628 3.872 -1.434 1.00 0.00 N ATOM 373 CA LYS A 26 -2.841 4.476 -0.923 1.00 0.00 C ATOM 374 C LYS A 26 -3.785 3.412 -0.397 1.00 0.00 C ATOM 375 O LYS A 26 -3.885 2.318 -0.957 1.00 0.00 O ATOM 376 CB LYS A 26 -3.529 5.308 -2.004 1.00 0.00 C ATOM 377 CG LYS A 26 -2.750 6.553 -2.386 1.00 0.00 C ATOM 378 CD LYS A 26 -3.486 7.375 -3.427 1.00 0.00 C ATOM 379 CE LYS A 26 -2.702 8.619 -3.810 1.00 0.00 C ATOM 380 NZ LYS A 26 -3.404 9.420 -4.846 1.00 0.00 N ATOM 0 H LYS A 26 -1.778 3.136 -2.124 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.570 5.138 -0.100 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -3.674 4.691 -2.891 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -4.519 5.600 -1.654 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.576 7.161 -1.498 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.772 6.267 -2.773 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -3.662 6.767 -4.314 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -4.463 7.664 -3.040 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -2.540 9.233 -2.924 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -1.719 8.329 -4.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -2.836 10.260 -5.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -3.536 8.843 -5.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -4.332 9.719 -4.484 1.00 0.00 H new ATOM 394 N CYS A 27 -4.465 3.743 0.680 1.00 0.00 N ATOM 395 CA CYS A 27 -5.404 2.835 1.311 1.00 0.00 C ATOM 396 C CYS A 27 -6.788 3.039 0.708 1.00 0.00 C ATOM 397 O CYS A 27 -7.634 3.741 1.268 1.00 0.00 O ATOM 398 CB CYS A 27 -5.423 3.075 2.826 1.00 0.00 C ATOM 399 SG CYS A 27 -6.439 1.896 3.777 1.00 0.00 S ATOM 0 H CYS A 27 -4.384 4.648 1.144 1.00 0.00 H new ATOM 0 HA CYS A 27 -5.096 1.804 1.135 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -4.400 3.033 3.199 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -5.790 4.084 3.015 1.00 0.00 H new ATOM 404 N ILE A 28 -7.005 2.442 -0.453 1.00 0.00 N ATOM 405 CA ILE A 28 -8.267 2.593 -1.153 1.00 0.00 C ATOM 406 C ILE A 28 -9.091 1.314 -1.013 1.00 0.00 C ATOM 407 O ILE A 28 -8.578 0.212 -1.199 1.00 0.00 O ATOM 408 CB ILE A 28 -8.052 2.955 -2.648 1.00 0.00 C ATOM 409 CG1 ILE A 28 -9.379 3.333 -3.309 1.00 0.00 C ATOM 410 CG2 ILE A 28 -7.392 1.812 -3.401 1.00 0.00 C ATOM 411 CD1 ILE A 28 -10.006 4.579 -2.724 1.00 0.00 C ATOM 0 H ILE A 28 -6.324 1.850 -0.928 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.814 3.419 -0.700 1.00 0.00 H new ATOM 0 HB ILE A 28 -7.385 3.816 -2.689 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -9.215 3.484 -4.376 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -10.077 2.502 -3.208 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -7.255 2.095 -4.445 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -6.422 1.593 -2.954 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -8.025 0.926 -3.346 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -10.944 4.790 -3.238 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -10.201 4.424 -1.663 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -9.326 5.422 -2.849 1.00 0.00 H new ATOM 423 N ASN A 29 -10.357 1.473 -0.633 1.00 0.00 N ATOM 424 CA ASN A 29 -11.255 0.339 -0.366 1.00 0.00 C ATOM 425 C ASN A 29 -10.712 -0.489 0.793 1.00 0.00 C ATOM 426 O ASN A 29 -10.942 -1.698 0.880 1.00 0.00 O ATOM 427 CB ASN A 29 -11.434 -0.544 -1.609 1.00 0.00 C ATOM 428 CG ASN A 29 -12.075 0.194 -2.769 1.00 0.00 C ATOM 429 OD1 ASN A 29 -11.253 0.717 -3.664 1.00 0.00 O flip ATOM 430 ND2 ASN A 29 -13.301 0.276 -2.872 1.00 0.00 N flip ATOM 0 H ASN A 29 -10.793 2.386 -0.500 1.00 0.00 H new ATOM 0 HA ASN A 29 -12.234 0.739 -0.100 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -10.462 -0.926 -1.920 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -12.047 -1.407 -1.350 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -13.902 -0.141 -2.161 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -13.715 0.760 -3.669 1.00 0.00 H new ATOM 437 N LYS A 30 -9.985 0.194 1.678 1.00 0.00 N ATOM 438 CA LYS A 30 -9.288 -0.426 2.802 1.00 0.00 C ATOM 439 C LYS A 30 -8.286 -1.474 2.314 1.00 0.00 C ATOM 440 O LYS A 30 -7.993 -2.451 3.005 1.00 0.00 O ATOM 441 CB LYS A 30 -10.266 -1.051 3.795 1.00 0.00 C ATOM 442 CG LYS A 30 -9.629 -1.321 5.148 1.00 0.00 C ATOM 443 CD LYS A 30 -10.522 -2.151 6.038 1.00 0.00 C ATOM 444 CE LYS A 30 -9.932 -2.293 7.433 1.00 0.00 C ATOM 445 NZ LYS A 30 -9.803 -0.983 8.125 1.00 0.00 N ATOM 0 H LYS A 30 -9.863 1.206 1.633 1.00 0.00 H new ATOM 0 HA LYS A 30 -8.743 0.364 3.319 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -11.120 -0.387 3.925 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -10.648 -1.985 3.384 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -8.679 -1.837 5.005 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.407 -0.374 5.640 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -11.507 -1.688 6.102 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -10.662 -3.138 5.598 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -10.563 -2.955 8.027 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.951 -2.764 7.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -9.779 -1.135 9.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -8.924 -0.516 7.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -10.616 -0.381 7.883 1.00 0.00 H new ATOM 459 N THR A 31 -7.773 -1.277 1.113 1.00 0.00 N ATOM 460 CA THR A 31 -6.742 -2.145 0.578 1.00 0.00 C ATOM 461 C THR A 31 -5.583 -1.318 0.053 1.00 0.00 C ATOM 462 O THR A 31 -5.780 -0.349 -0.685 1.00 0.00 O ATOM 463 CB THR A 31 -7.279 -3.074 -0.537 1.00 0.00 C ATOM 464 OG1 THR A 31 -8.204 -2.372 -1.378 1.00 0.00 O ATOM 465 CG2 THR A 31 -7.953 -4.300 0.057 1.00 0.00 C ATOM 0 H THR A 31 -8.055 -0.521 0.489 1.00 0.00 H new ATOM 0 HA THR A 31 -6.398 -2.780 1.394 1.00 0.00 H new ATOM 0 HB THR A 31 -6.430 -3.399 -1.138 1.00 0.00 H new ATOM 0 HG1 THR A 31 -7.932 -1.433 -1.452 1.00 0.00 H new ATOM 0 HG21 THR A 31 -8.322 -4.937 -0.746 1.00 0.00 H new ATOM 0 HG22 THR A 31 -7.233 -4.855 0.659 1.00 0.00 H new ATOM 0 HG23 THR A 31 -8.787 -3.988 0.685 1.00 0.00 H new ATOM 473 N CYS A 32 -4.387 -1.678 0.475 1.00 0.00 N ATOM 474 CA CYS A 32 -3.192 -0.977 0.059 1.00 0.00 C ATOM 475 C CYS A 32 -2.939 -1.145 -1.427 1.00 0.00 C ATOM 476 O CYS A 32 -2.643 -2.239 -1.906 1.00 0.00 O ATOM 477 CB CYS A 32 -1.994 -1.467 0.860 1.00 0.00 C ATOM 478 SG CYS A 32 -2.117 -1.083 2.633 1.00 0.00 S ATOM 0 H CYS A 32 -4.218 -2.458 1.110 1.00 0.00 H new ATOM 0 HA CYS A 32 -3.340 0.086 0.251 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -1.896 -2.545 0.734 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -1.087 -1.016 0.459 1.00 0.00 H new ATOM 483 N LYS A 33 -3.067 -0.051 -2.149 1.00 0.00 N ATOM 484 CA LYS A 33 -2.781 -0.033 -3.563 1.00 0.00 C ATOM 485 C LYS A 33 -1.378 0.523 -3.742 1.00 0.00 C ATOM 486 O LYS A 33 -1.178 1.738 -3.809 1.00 0.00 O ATOM 487 CB LYS A 33 -3.820 0.831 -4.290 1.00 0.00 C ATOM 488 CG LYS A 33 -3.996 0.514 -5.770 1.00 0.00 C ATOM 489 CD LYS A 33 -2.798 0.936 -6.605 1.00 0.00 C ATOM 490 CE LYS A 33 -3.030 0.673 -8.085 1.00 0.00 C ATOM 491 NZ LYS A 33 -3.271 -0.768 -8.367 1.00 0.00 N ATOM 0 H LYS A 33 -3.371 0.846 -1.771 1.00 0.00 H new ATOM 0 HA LYS A 33 -2.833 -1.035 -3.988 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.782 0.713 -3.791 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.535 1.878 -4.189 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.160 -0.557 -5.891 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.889 1.017 -6.142 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.600 1.997 -6.449 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.912 0.394 -6.273 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.885 1.257 -8.427 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -2.164 1.013 -8.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.239 -0.931 -9.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.537 -1.340 -7.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.206 -1.041 -8.002 1.00 0.00 H new ATOM 505 N CYS A 34 -0.407 -0.374 -3.759 1.00 0.00 N ATOM 506 CA CYS A 34 0.993 0.012 -3.832 1.00 0.00 C ATOM 507 C CYS A 34 1.344 0.515 -5.225 1.00 0.00 C ATOM 508 O CYS A 34 1.293 -0.237 -6.199 1.00 0.00 O ATOM 509 CB CYS A 34 1.893 -1.171 -3.465 1.00 0.00 C ATOM 510 SG CYS A 34 1.318 -2.138 -2.030 1.00 0.00 S ATOM 0 H CYS A 34 -0.564 -1.381 -3.723 1.00 0.00 H new ATOM 0 HA CYS A 34 1.158 0.819 -3.119 1.00 0.00 H new ATOM 0 HB2 CYS A 34 1.971 -1.834 -4.327 1.00 0.00 H new ATOM 0 HB3 CYS A 34 2.896 -0.798 -3.258 1.00 0.00 H new ATOM 515 N TYR A 35 1.679 1.793 -5.315 1.00 0.00 N ATOM 516 CA TYR A 35 2.088 2.388 -6.579 1.00 0.00 C ATOM 517 C TYR A 35 3.583 2.209 -6.781 1.00 0.00 C ATOM 518 O TYR A 35 4.058 2.025 -7.903 1.00 0.00 O ATOM 519 CB TYR A 35 1.738 3.878 -6.619 1.00 0.00 C ATOM 520 CG TYR A 35 0.256 4.158 -6.555 1.00 0.00 C ATOM 521 CD1 TYR A 35 -0.537 4.049 -7.688 1.00 0.00 C ATOM 522 CD2 TYR A 35 -0.350 4.529 -5.362 1.00 0.00 C ATOM 523 CE1 TYR A 35 -1.894 4.306 -7.637 1.00 0.00 C ATOM 524 CE2 TYR A 35 -1.707 4.786 -5.300 1.00 0.00 C ATOM 525 CZ TYR A 35 -2.475 4.673 -6.442 1.00 0.00 C ATOM 526 OH TYR A 35 -3.827 4.928 -6.389 1.00 0.00 O ATOM 0 H TYR A 35 1.676 2.440 -4.526 1.00 0.00 H new ATOM 0 HA TYR A 35 1.551 1.883 -7.382 1.00 0.00 H new ATOM 0 HB2 TYR A 35 2.229 4.380 -5.785 1.00 0.00 H new ATOM 0 HB3 TYR A 35 2.141 4.312 -7.534 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.086 3.758 -8.626 1.00 0.00 H new ATOM 0 HD2 TYR A 35 0.249 4.618 -4.468 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.496 4.220 -8.529 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -2.163 5.073 -4.364 1.00 0.00 H new ATOM 0 HH TYR A 35 -4.122 4.937 -5.454 1.00 0.00 H new ATOM 536 N GLY A 36 4.312 2.242 -5.669 1.00 0.00 N ATOM 537 CA GLY A 36 5.752 2.138 -5.719 1.00 0.00 C ATOM 538 C GLY A 36 6.353 3.222 -6.581 1.00 0.00 C ATOM 539 O GLY A 36 6.116 4.408 -6.351 1.00 0.00 O ATOM 0 H GLY A 36 3.924 2.340 -4.731 1.00 0.00 H new ATOM 0 HA2 GLY A 36 6.158 2.206 -4.710 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.034 1.161 -6.111 1.00 0.00 H new ATOM 543 N CYS A 37 7.126 2.820 -7.567 1.00 0.00 N ATOM 544 CA CYS A 37 7.660 3.748 -8.545 1.00 0.00 C ATOM 545 C CYS A 37 7.432 3.194 -9.937 1.00 0.00 C ATOM 546 O CYS A 37 8.214 3.438 -10.855 1.00 0.00 O ATOM 547 CB CYS A 37 9.150 3.998 -8.308 1.00 0.00 C ATOM 548 SG CYS A 37 9.519 4.975 -6.811 1.00 0.00 S ATOM 0 H CYS A 37 7.401 1.849 -7.714 1.00 0.00 H new ATOM 0 HA CYS A 37 7.144 4.703 -8.444 1.00 0.00 H new ATOM 0 HB2 CYS A 37 9.661 3.038 -8.236 1.00 0.00 H new ATOM 0 HB3 CYS A 37 9.562 4.514 -9.175 1.00 0.00 H new ATOM 553 N SER A 38 6.338 2.450 -10.066 1.00 0.00 N ATOM 554 CA SER A 38 5.993 1.761 -11.302 1.00 0.00 C ATOM 555 C SER A 38 7.075 0.744 -11.660 1.00 0.00 C ATOM 556 O SER A 38 7.903 1.029 -12.547 1.00 0.00 O ATOM 557 CB SER A 38 5.780 2.771 -12.438 1.00 0.00 C ATOM 558 OG SER A 38 5.442 2.128 -13.655 1.00 0.00 O ATOM 559 OXT SER A 38 7.111 -0.332 -11.023 1.00 0.00 O ATOM 0 H SER A 38 5.665 2.308 -9.313 1.00 0.00 H new ATOM 0 HA SER A 38 5.057 1.221 -11.156 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.988 3.467 -12.162 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.687 3.359 -12.577 1.00 0.00 H new ATOM 0 HG SER A 38 5.312 2.801 -14.355 1.00 0.00 H new TER 565 SER A 38