USER MOD reduce.3.24.130724 H: found=0, std=0, add=457, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 457 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 20 LYS NZ :NH3+ 150:sc= 0.148 (180deg=0) USER MOD Set 1.2: A 21 THR OG1 : rot 180:sc= -3.67! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -147:sc= -0.528 (180deg=-2.17!) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 CYS SG : rot 169:sc= -5.99! USER MOD Single : A 9 CYS SG : rot -37:sc= -0.211 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -150:sc= 0.186 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.0568 X(o=-0.057,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 146:sc= -0.0156 (180deg=-0.243) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.676 K(o=-0.68,f=-7.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.686 -12.729 5.766 1.00 0.00 N ATOM 2 CA MET A 1 -8.417 -12.201 5.200 1.00 0.00 C ATOM 3 C MET A 1 -8.288 -10.702 5.440 1.00 0.00 C ATOM 4 O MET A 1 -9.281 -10.015 5.681 1.00 0.00 O ATOM 5 CB MET A 1 -8.391 -12.496 3.698 1.00 0.00 C ATOM 6 CG MET A 1 -8.915 -13.877 3.336 1.00 0.00 C ATOM 7 SD MET A 1 -10.202 -13.824 2.074 1.00 0.00 S ATOM 8 CE MET A 1 -9.428 -14.765 0.760 1.00 0.00 C ATOM 0 H1 MET A 1 -9.538 -13.702 6.102 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.987 -12.130 6.561 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.422 -12.724 5.031 1.00 0.00 H new ATOM 0 HA MET A 1 -7.577 -12.688 5.695 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.986 -11.744 3.179 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.368 -12.399 3.336 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.089 -14.493 2.981 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.309 -14.358 4.231 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.103 -14.821 -0.094 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.502 -14.275 0.459 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.207 -15.772 1.115 1.00 0.00 H new ATOM 20 N TYR A 2 -7.060 -10.198 5.371 1.00 0.00 N ATOM 21 CA TYR A 2 -6.805 -8.778 5.580 1.00 0.00 C ATOM 22 C TYR A 2 -6.482 -8.078 4.263 1.00 0.00 C ATOM 23 O TYR A 2 -6.064 -8.711 3.293 1.00 0.00 O ATOM 24 CB TYR A 2 -5.657 -8.582 6.574 1.00 0.00 C ATOM 25 CG TYR A 2 -6.115 -8.279 7.984 1.00 0.00 C ATOM 26 CD1 TYR A 2 -7.071 -9.071 8.612 1.00 0.00 C ATOM 27 CD2 TYR A 2 -5.588 -7.205 8.691 1.00 0.00 C ATOM 28 CE1 TYR A 2 -7.490 -8.796 9.899 1.00 0.00 C ATOM 29 CE2 TYR A 2 -6.002 -6.926 9.979 1.00 0.00 C ATOM 30 CZ TYR A 2 -6.953 -7.725 10.578 1.00 0.00 C ATOM 31 OH TYR A 2 -7.367 -7.449 11.861 1.00 0.00 O ATOM 0 H TYR A 2 -6.227 -10.752 5.172 1.00 0.00 H new ATOM 0 HA TYR A 2 -7.711 -8.332 5.991 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -5.043 -9.482 6.587 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -5.022 -7.768 6.225 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -7.492 -9.914 8.085 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -4.842 -6.578 8.226 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -8.236 -9.418 10.371 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -5.583 -6.087 10.514 1.00 0.00 H new ATOM 0 HH TYR A 2 -6.889 -6.662 12.197 1.00 0.00 H new ATOM 41 N ILE A 3 -6.685 -6.767 4.244 1.00 0.00 N ATOM 42 CA ILE A 3 -6.432 -5.958 3.060 1.00 0.00 C ATOM 43 C ILE A 3 -5.544 -4.767 3.399 1.00 0.00 C ATOM 44 O ILE A 3 -5.407 -4.402 4.566 1.00 0.00 O ATOM 45 CB ILE A 3 -7.749 -5.426 2.461 1.00 0.00 C ATOM 46 CG1 ILE A 3 -8.536 -4.652 3.520 1.00 0.00 C ATOM 47 CG2 ILE A 3 -8.590 -6.561 1.903 1.00 0.00 C ATOM 48 CD1 ILE A 3 -9.523 -3.665 2.937 1.00 0.00 C ATOM 0 H ILE A 3 -7.028 -6.237 5.045 1.00 0.00 H new ATOM 0 HA ILE A 3 -5.932 -6.599 2.334 1.00 0.00 H new ATOM 0 HB ILE A 3 -7.503 -4.752 1.641 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -9.072 -5.360 4.152 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -7.836 -4.118 4.163 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -9.514 -6.159 1.486 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -8.033 -7.076 1.120 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.828 -7.264 2.701 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -10.045 -3.152 3.745 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -8.990 -2.934 2.328 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -10.246 -4.196 2.317 1.00 0.00 H new ATOM 60 N ILE A 4 -4.974 -4.142 2.377 1.00 0.00 N ATOM 61 CA ILE A 4 -4.136 -2.966 2.577 1.00 0.00 C ATOM 62 C ILE A 4 -4.570 -1.841 1.637 1.00 0.00 C ATOM 63 O ILE A 4 -5.118 -2.089 0.564 1.00 0.00 O ATOM 64 CB ILE A 4 -2.637 -3.301 2.376 1.00 0.00 C ATOM 65 CG1 ILE A 4 -2.069 -3.928 3.649 1.00 0.00 C ATOM 66 CG2 ILE A 4 -1.830 -2.063 2.001 1.00 0.00 C ATOM 67 CD1 ILE A 4 -1.975 -5.436 3.596 1.00 0.00 C ATOM 0 H ILE A 4 -5.076 -4.428 1.403 1.00 0.00 H new ATOM 0 HA ILE A 4 -4.263 -2.631 3.606 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.560 -4.011 1.553 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -1.076 -3.518 3.833 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -2.695 -3.642 4.494 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -0.783 -2.337 1.868 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -2.216 -1.645 1.071 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.913 -1.321 2.795 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -1.563 -5.808 4.534 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -2.969 -5.857 3.443 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -1.325 -5.731 2.772 1.00 0.00 H new ATOM 79 N PHE A 5 -4.353 -0.604 2.061 1.00 0.00 N ATOM 80 CA PHE A 5 -4.750 0.552 1.271 1.00 0.00 C ATOM 81 C PHE A 5 -3.729 1.674 1.415 1.00 0.00 C ATOM 82 O PHE A 5 -2.603 1.442 1.852 1.00 0.00 O ATOM 83 CB PHE A 5 -6.129 1.046 1.713 1.00 0.00 C ATOM 84 CG PHE A 5 -6.545 0.574 3.077 1.00 0.00 C ATOM 85 CD1 PHE A 5 -7.223 -0.624 3.235 1.00 0.00 C ATOM 86 CD2 PHE A 5 -6.272 1.336 4.198 1.00 0.00 C ATOM 87 CE1 PHE A 5 -7.611 -1.055 4.489 1.00 0.00 C ATOM 88 CE2 PHE A 5 -6.664 0.915 5.451 1.00 0.00 C ATOM 89 CZ PHE A 5 -7.327 -0.283 5.598 1.00 0.00 C ATOM 0 H PHE A 5 -3.904 -0.375 2.948 1.00 0.00 H new ATOM 0 HA PHE A 5 -4.797 0.253 0.224 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -6.133 2.136 1.701 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -6.871 0.717 0.985 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -7.451 -1.227 2.369 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -5.745 2.273 4.091 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -8.135 -1.993 4.601 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -6.451 1.524 6.317 1.00 0.00 H new ATOM 0 HZ PHE A 5 -7.625 -0.619 6.580 1.00 0.00 H new ATOM 99 N ARG A 6 -4.127 2.894 1.058 1.00 0.00 N ATOM 100 CA ARG A 6 -3.228 4.037 1.151 1.00 0.00 C ATOM 101 C ARG A 6 -3.932 5.239 1.768 1.00 0.00 C ATOM 102 O ARG A 6 -4.935 5.724 1.243 1.00 0.00 O ATOM 103 CB ARG A 6 -2.686 4.401 -0.231 1.00 0.00 C ATOM 104 CG ARG A 6 -1.311 3.821 -0.515 1.00 0.00 C ATOM 105 CD ARG A 6 -1.072 3.657 -2.007 1.00 0.00 C ATOM 106 NE ARG A 6 -0.502 4.860 -2.606 1.00 0.00 N ATOM 107 CZ ARG A 6 0.804 5.103 -2.679 1.00 0.00 C ATOM 108 NH1 ARG A 6 1.672 4.228 -2.192 1.00 0.00 N ATOM 109 NH2 ARG A 6 1.241 6.223 -3.239 1.00 0.00 N ATOM 0 H ARG A 6 -5.059 3.113 0.705 1.00 0.00 H new ATOM 0 HA ARG A 6 -2.396 3.758 1.798 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -3.384 4.049 -0.991 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -2.639 5.486 -0.320 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -0.546 4.472 -0.093 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -1.214 2.854 -0.022 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -0.401 2.815 -2.176 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -2.014 3.418 -2.501 1.00 0.00 H new ATOM 0 HE ARG A 6 -1.142 5.555 -2.991 1.00 0.00 H new ATOM 0 HH11 ARG A 6 1.339 3.366 -1.760 1.00 0.00 H new ATOM 0 HH12 ARG A 6 2.673 4.417 -2.249 1.00 0.00 H new ATOM 0 HH21 ARG A 6 0.576 6.899 -3.614 1.00 0.00 H new ATOM 0 HH22 ARG A 6 2.242 6.408 -3.294 1.00 0.00 H new ATOM 123 N CYS A 7 -3.401 5.709 2.893 1.00 0.00 N ATOM 124 CA CYS A 7 -3.965 6.855 3.582 1.00 0.00 C ATOM 125 C CYS A 7 -3.562 8.147 2.879 1.00 0.00 C ATOM 126 O CYS A 7 -2.472 8.235 2.308 1.00 0.00 O ATOM 127 CB CYS A 7 -3.518 6.863 5.044 1.00 0.00 C ATOM 128 SG CYS A 7 -2.578 5.404 5.546 1.00 0.00 S ATOM 0 H CYS A 7 -2.578 5.309 3.344 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.052 6.783 3.558 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.910 7.750 5.220 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -4.399 6.949 5.680 1.00 0.00 H new ATOM 0 HG CYS A 7 -2.050 5.610 6.716 1.00 0.00 H new ATOM 134 N ASP A 8 -4.429 9.158 2.957 1.00 0.00 N ATOM 135 CA ASP A 8 -4.203 10.424 2.261 1.00 0.00 C ATOM 136 C ASP A 8 -2.916 11.093 2.721 1.00 0.00 C ATOM 137 O ASP A 8 -2.359 11.934 2.016 1.00 0.00 O ATOM 138 CB ASP A 8 -5.384 11.369 2.485 1.00 0.00 C ATOM 139 CG ASP A 8 -6.099 11.718 1.195 1.00 0.00 C ATOM 140 OD1 ASP A 8 -5.590 12.583 0.450 1.00 0.00 O ATOM 141 OD2 ASP A 8 -7.166 11.127 0.928 1.00 0.00 O ATOM 0 H ASP A 8 -5.294 9.124 3.496 1.00 0.00 H new ATOM 0 HA ASP A 8 -4.110 10.203 1.198 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -6.090 10.906 3.175 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.029 12.284 2.959 1.00 0.00 H new ATOM 146 N CYS A 9 -2.425 10.690 3.885 1.00 0.00 N ATOM 147 CA CYS A 9 -1.166 11.211 4.396 1.00 0.00 C ATOM 148 C CYS A 9 -0.003 10.637 3.590 1.00 0.00 C ATOM 149 O CYS A 9 1.165 10.850 3.919 1.00 0.00 O ATOM 150 CB CYS A 9 -1.008 10.850 5.872 1.00 0.00 C ATOM 151 SG CYS A 9 0.391 11.654 6.688 1.00 0.00 S ATOM 0 H CYS A 9 -2.878 10.006 4.491 1.00 0.00 H new ATOM 0 HA CYS A 9 -1.166 12.297 4.298 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.924 11.117 6.399 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -0.893 9.770 5.960 1.00 0.00 H new ATOM 0 HG CYS A 9 1.391 11.728 5.861 1.00 0.00 H new ATOM 157 N GLY A 10 -0.341 9.901 2.536 1.00 0.00 N ATOM 158 CA GLY A 10 0.663 9.261 1.711 1.00 0.00 C ATOM 159 C GLY A 10 1.101 7.940 2.302 1.00 0.00 C ATOM 160 O GLY A 10 1.987 7.270 1.771 1.00 0.00 O ATOM 0 H GLY A 10 -1.302 9.736 2.238 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.264 9.099 0.710 1.00 0.00 H new ATOM 0 HA3 GLY A 10 1.526 9.919 1.608 1.00 0.00 H new ATOM 164 N ARG A 11 0.523 7.610 3.453 1.00 0.00 N ATOM 165 CA ARG A 11 0.844 6.370 4.150 1.00 0.00 C ATOM 166 C ARG A 11 0.029 5.198 3.612 1.00 0.00 C ATOM 167 O ARG A 11 -0.503 5.251 2.503 1.00 0.00 O ATOM 168 CB ARG A 11 0.601 6.531 5.654 1.00 0.00 C ATOM 169 CG ARG A 11 0.807 7.951 6.158 1.00 0.00 C ATOM 170 CD ARG A 11 1.371 7.966 7.570 1.00 0.00 C ATOM 171 NE ARG A 11 2.424 8.964 7.727 1.00 0.00 N ATOM 172 CZ ARG A 11 2.441 9.874 8.696 1.00 0.00 C ATOM 173 NH1 ARG A 11 1.465 9.911 9.595 1.00 0.00 N ATOM 174 NH2 ARG A 11 3.435 10.749 8.769 1.00 0.00 N ATOM 0 H ARG A 11 -0.173 8.188 3.924 1.00 0.00 H new ATOM 0 HA ARG A 11 1.898 6.154 3.976 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -0.417 6.217 5.884 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.271 5.862 6.195 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.485 8.481 5.489 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -0.142 8.486 6.139 1.00 0.00 H new ATOM 0 HD2 ARG A 11 0.569 8.171 8.279 1.00 0.00 H new ATOM 0 HD3 ARG A 11 1.767 6.980 7.813 1.00 0.00 H new ATOM 0 HE ARG A 11 3.191 8.963 7.055 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.699 9.240 9.544 1.00 0.00 H new ATOM 0 HH12 ARG A 11 1.481 10.611 10.337 1.00 0.00 H new ATOM 0 HH21 ARG A 11 4.188 10.724 8.081 1.00 0.00 H new ATOM 0 HH22 ARG A 11 3.447 11.447 9.513 1.00 0.00 H new ATOM 188 N ALA A 12 -0.075 4.150 4.423 1.00 0.00 N ATOM 189 CA ALA A 12 -0.840 2.961 4.067 1.00 0.00 C ATOM 190 C ALA A 12 -1.288 2.223 5.325 1.00 0.00 C ATOM 191 O ALA A 12 -0.591 2.243 6.339 1.00 0.00 O ATOM 192 CB ALA A 12 -0.013 2.047 3.179 1.00 0.00 C ATOM 0 H ALA A 12 0.367 4.101 5.341 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.727 3.270 3.513 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -0.597 1.164 2.922 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.263 2.578 2.268 1.00 0.00 H new ATOM 0 HB3 ALA A 12 0.889 1.743 3.710 1.00 0.00 H new ATOM 198 N LEU A 13 -2.446 1.570 5.262 1.00 0.00 N ATOM 199 CA LEU A 13 -2.961 0.842 6.423 1.00 0.00 C ATOM 200 C LEU A 13 -3.544 -0.516 6.029 1.00 0.00 C ATOM 201 O LEU A 13 -3.576 -0.872 4.852 1.00 0.00 O ATOM 202 CB LEU A 13 -4.019 1.679 7.145 1.00 0.00 C ATOM 203 CG LEU A 13 -3.469 2.818 8.007 1.00 0.00 C ATOM 204 CD1 LEU A 13 -4.601 3.706 8.500 1.00 0.00 C ATOM 205 CD2 LEU A 13 -2.670 2.268 9.179 1.00 0.00 C ATOM 0 H LEU A 13 -3.039 1.529 4.433 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.123 0.660 7.096 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.696 2.101 6.402 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.612 1.019 7.778 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.800 3.421 7.393 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.192 4.511 9.111 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.128 4.131 7.646 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.295 3.114 9.097 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.288 3.094 9.779 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.313 1.640 9.795 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.835 1.676 8.804 1.00 0.00 H new ATOM 217 N TYR A 14 -3.989 -1.274 7.032 1.00 0.00 N ATOM 218 CA TYR A 14 -4.553 -2.605 6.808 1.00 0.00 C ATOM 219 C TYR A 14 -5.846 -2.792 7.605 1.00 0.00 C ATOM 220 O TYR A 14 -5.964 -2.312 8.733 1.00 0.00 O ATOM 221 CB TYR A 14 -3.540 -3.680 7.207 1.00 0.00 C ATOM 222 CG TYR A 14 -3.043 -3.553 8.630 1.00 0.00 C ATOM 223 CD1 TYR A 14 -1.965 -2.733 8.940 1.00 0.00 C ATOM 224 CD2 TYR A 14 -3.648 -4.260 9.663 1.00 0.00 C ATOM 225 CE1 TYR A 14 -1.507 -2.617 10.239 1.00 0.00 C ATOM 226 CE2 TYR A 14 -3.196 -4.148 10.964 1.00 0.00 C ATOM 227 CZ TYR A 14 -2.126 -3.325 11.247 1.00 0.00 C ATOM 228 OH TYR A 14 -1.672 -3.212 12.541 1.00 0.00 O ATOM 0 H TYR A 14 -3.969 -0.987 8.011 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.783 -2.702 5.747 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -3.996 -4.662 7.078 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -2.688 -3.633 6.529 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -1.477 -2.177 8.153 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -4.485 -4.907 9.445 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -0.668 -1.975 10.463 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -3.678 -4.702 11.756 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.218 -3.775 13.129 1.00 0.00 H new ATOM 238 N SER A 15 -6.810 -3.494 7.013 1.00 0.00 N ATOM 239 CA SER A 15 -8.089 -3.758 7.672 1.00 0.00 C ATOM 240 C SER A 15 -8.730 -5.027 7.121 1.00 0.00 C ATOM 241 O SER A 15 -8.102 -5.774 6.377 1.00 0.00 O ATOM 242 CB SER A 15 -9.043 -2.577 7.487 1.00 0.00 C ATOM 243 OG SER A 15 -10.123 -2.643 8.402 1.00 0.00 O ATOM 0 H SER A 15 -6.730 -3.891 6.077 1.00 0.00 H new ATOM 0 HA SER A 15 -7.895 -3.895 8.736 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.500 -1.642 7.628 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.427 -2.572 6.467 1.00 0.00 H new ATOM 0 HG SER A 15 -10.915 -2.225 8.004 1.00 0.00 H new ATOM 249 N ARG A 16 -9.980 -5.271 7.500 1.00 0.00 N ATOM 250 CA ARG A 16 -10.702 -6.446 7.026 1.00 0.00 C ATOM 251 C ARG A 16 -11.156 -6.262 5.580 1.00 0.00 C ATOM 252 O ARG A 16 -11.437 -5.145 5.145 1.00 0.00 O ATOM 253 CB ARG A 16 -11.908 -6.731 7.921 1.00 0.00 C ATOM 254 CG ARG A 16 -13.046 -5.739 7.749 1.00 0.00 C ATOM 255 CD ARG A 16 -14.358 -6.445 7.450 1.00 0.00 C ATOM 256 NE ARG A 16 -14.928 -7.064 8.643 1.00 0.00 N ATOM 257 CZ ARG A 16 -15.954 -6.558 9.320 1.00 0.00 C ATOM 258 NH1 ARG A 16 -16.522 -5.427 8.921 1.00 0.00 N ATOM 259 NH2 ARG A 16 -16.412 -7.181 10.396 1.00 0.00 N ATOM 0 H ARG A 16 -10.513 -4.673 8.132 1.00 0.00 H new ATOM 0 HA ARG A 16 -10.022 -7.297 7.068 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -12.277 -7.734 7.709 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -11.586 -6.724 8.962 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -13.151 -5.143 8.655 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -12.810 -5.049 6.939 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -15.069 -5.730 7.037 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -14.195 -7.207 6.688 1.00 0.00 H new ATOM 0 HE ARG A 16 -14.515 -7.935 8.976 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -16.171 -4.944 8.094 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -17.309 -5.040 9.442 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -15.977 -8.050 10.706 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -17.199 -6.791 10.914 1.00 0.00 H new ATOM 273 N GLU A 17 -11.215 -7.365 4.840 1.00 0.00 N ATOM 274 CA GLU A 17 -11.639 -7.334 3.444 1.00 0.00 C ATOM 275 C GLU A 17 -13.016 -6.692 3.300 1.00 0.00 C ATOM 276 O GLU A 17 -14.026 -7.273 3.698 1.00 0.00 O ATOM 277 CB GLU A 17 -11.663 -8.752 2.865 1.00 0.00 C ATOM 278 CG GLU A 17 -12.196 -8.822 1.442 1.00 0.00 C ATOM 279 CD GLU A 17 -11.190 -9.406 0.471 1.00 0.00 C ATOM 280 OE1 GLU A 17 -10.070 -8.860 0.376 1.00 0.00 O ATOM 281 OE2 GLU A 17 -11.522 -10.407 -0.199 1.00 0.00 O ATOM 0 H GLU A 17 -10.974 -8.294 5.185 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.920 -6.731 2.889 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -10.653 -9.161 2.886 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.277 -9.386 3.505 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -13.103 -9.426 1.427 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -12.475 -7.821 1.113 1.00 0.00 H new ATOM 288 N GLY A 18 -13.051 -5.496 2.720 1.00 0.00 N ATOM 289 CA GLY A 18 -14.313 -4.806 2.525 1.00 0.00 C ATOM 290 C GLY A 18 -14.198 -3.306 2.704 1.00 0.00 C ATOM 291 O GLY A 18 -15.160 -2.574 2.474 1.00 0.00 O ATOM 0 H GLY A 18 -12.230 -4.994 2.382 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -14.687 -5.020 1.524 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -15.047 -5.196 3.230 1.00 0.00 H new ATOM 295 N ALA A 19 -13.026 -2.846 3.131 1.00 0.00 N ATOM 296 CA ALA A 19 -12.799 -1.422 3.339 1.00 0.00 C ATOM 297 C ALA A 19 -12.657 -0.690 2.010 1.00 0.00 C ATOM 298 O ALA A 19 -11.679 -0.880 1.288 1.00 0.00 O ATOM 299 CB ALA A 19 -11.568 -1.195 4.204 1.00 0.00 C ATOM 0 H ALA A 19 -12.222 -3.438 3.339 1.00 0.00 H new ATOM 0 HA ALA A 19 -13.668 -1.017 3.858 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -11.416 -0.125 4.347 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -11.711 -1.674 5.173 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -10.694 -1.623 3.713 1.00 0.00 H new ATOM 305 N LYS A 20 -13.648 0.133 1.688 1.00 0.00 N ATOM 306 CA LYS A 20 -13.632 0.905 0.451 1.00 0.00 C ATOM 307 C LYS A 20 -12.943 2.249 0.677 1.00 0.00 C ATOM 308 O LYS A 20 -12.052 2.641 -0.080 1.00 0.00 O ATOM 309 CB LYS A 20 -15.059 1.073 -0.075 1.00 0.00 C ATOM 310 CG LYS A 20 -15.733 2.362 0.336 1.00 0.00 C ATOM 311 CD LYS A 20 -16.586 2.158 1.574 1.00 0.00 C ATOM 312 CE LYS A 20 -16.493 3.341 2.524 1.00 0.00 C ATOM 313 NZ LYS A 20 -17.312 4.492 2.059 1.00 0.00 N ATOM 0 H LYS A 20 -14.474 0.283 2.267 1.00 0.00 H new ATOM 0 HA LYS A 20 -13.060 0.370 -0.307 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -15.040 1.019 -1.164 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -15.662 0.235 0.275 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -14.979 3.125 0.531 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -16.354 2.729 -0.481 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -17.625 2.009 1.279 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -16.268 1.252 2.089 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -16.825 3.037 3.516 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -15.452 3.650 2.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -17.643 5.037 2.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -16.735 5.104 1.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -18.131 4.141 1.523 1.00 0.00 H new ATOM 327 N THR A 21 -13.328 2.922 1.751 1.00 0.00 N ATOM 328 CA THR A 21 -12.710 4.193 2.128 1.00 0.00 C ATOM 329 C THR A 21 -12.686 4.346 3.643 1.00 0.00 C ATOM 330 O THR A 21 -13.731 4.469 4.283 1.00 0.00 O ATOM 331 CB THR A 21 -13.441 5.382 1.495 1.00 0.00 C ATOM 332 OG1 THR A 21 -14.631 4.970 0.852 1.00 0.00 O ATOM 333 CG2 THR A 21 -12.604 6.123 0.476 1.00 0.00 C ATOM 0 H THR A 21 -14.067 2.611 2.381 1.00 0.00 H new ATOM 0 HA THR A 21 -11.687 4.184 1.753 1.00 0.00 H new ATOM 0 HB THR A 21 -13.660 6.053 2.326 1.00 0.00 H new ATOM 0 HG1 THR A 21 -15.077 5.749 0.459 1.00 0.00 H new ATOM 0 HG21 THR A 21 -13.180 6.953 0.066 1.00 0.00 H new ATOM 0 HG22 THR A 21 -11.704 6.508 0.955 1.00 0.00 H new ATOM 0 HG23 THR A 21 -12.324 5.443 -0.329 1.00 0.00 H new ATOM 341 N ARG A 22 -11.485 4.345 4.212 1.00 0.00 N ATOM 342 CA ARG A 22 -11.323 4.487 5.652 1.00 0.00 C ATOM 343 C ARG A 22 -11.255 5.962 6.035 1.00 0.00 C ATOM 344 O ARG A 22 -11.677 6.828 5.268 1.00 0.00 O ATOM 345 CB ARG A 22 -10.057 3.762 6.118 1.00 0.00 C ATOM 346 CG ARG A 22 -10.238 2.996 7.419 1.00 0.00 C ATOM 347 CD ARG A 22 -10.466 1.513 7.167 1.00 0.00 C ATOM 348 NE ARG A 22 -11.813 1.244 6.670 1.00 0.00 N ATOM 349 CZ ARG A 22 -12.689 0.462 7.295 1.00 0.00 C ATOM 350 NH1 ARG A 22 -12.363 -0.127 8.438 1.00 0.00 N ATOM 351 NH2 ARG A 22 -13.893 0.268 6.776 1.00 0.00 N ATOM 0 H ARG A 22 -10.610 4.247 3.697 1.00 0.00 H new ATOM 0 HA ARG A 22 -12.185 4.038 6.144 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -9.738 3.069 5.340 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -9.256 4.491 6.244 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -9.356 3.128 8.046 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -11.084 3.407 7.969 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -9.734 1.151 6.445 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -10.303 0.959 8.091 1.00 0.00 H new ATOM 0 HE ARG A 22 -12.098 1.681 5.794 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -11.437 0.019 8.841 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -13.038 -0.726 8.914 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -14.148 0.718 5.897 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -14.564 -0.332 7.255 1.00 0.00 H new ATOM 365 N LYS A 23 -10.727 6.247 7.221 1.00 0.00 N ATOM 366 CA LYS A 23 -10.616 7.622 7.691 1.00 0.00 C ATOM 367 C LYS A 23 -9.416 7.791 8.614 1.00 0.00 C ATOM 368 O LYS A 23 -9.059 6.879 9.361 1.00 0.00 O ATOM 369 CB LYS A 23 -11.897 8.037 8.419 1.00 0.00 C ATOM 370 CG LYS A 23 -11.918 9.500 8.833 1.00 0.00 C ATOM 371 CD LYS A 23 -13.073 10.247 8.185 1.00 0.00 C ATOM 372 CE LYS A 23 -14.069 10.743 9.221 1.00 0.00 C ATOM 373 NZ LYS A 23 -15.431 10.915 8.646 1.00 0.00 N ATOM 0 H LYS A 23 -10.371 5.547 7.871 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.473 8.265 6.822 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -12.752 7.839 7.773 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -12.018 7.416 9.306 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -12.001 9.571 9.918 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -10.976 9.972 8.553 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -12.687 11.093 7.616 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -13.580 9.591 7.477 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -14.112 10.037 10.050 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -13.725 11.693 9.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -16.079 11.254 9.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -15.396 11.608 7.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -15.771 10.003 8.279 1.00 0.00 H new ATOM 387 N CYS A 24 -8.797 8.964 8.555 1.00 0.00 N ATOM 388 CA CYS A 24 -7.645 9.266 9.389 1.00 0.00 C ATOM 389 C CYS A 24 -8.065 10.081 10.605 1.00 0.00 C ATOM 390 O CYS A 24 -8.705 11.125 10.474 1.00 0.00 O ATOM 391 CB CYS A 24 -6.590 10.030 8.586 1.00 0.00 C ATOM 392 SG CYS A 24 -4.937 9.993 9.316 1.00 0.00 S ATOM 0 H CYS A 24 -9.077 9.724 7.934 1.00 0.00 H new ATOM 0 HA CYS A 24 -7.214 8.325 9.730 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -6.541 9.612 7.581 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -6.907 11.068 8.484 1.00 0.00 H new ATOM 0 HG CYS A 24 -4.115 10.664 8.564 1.00 0.00 H new ATOM 398 N VAL A 25 -7.711 9.591 11.786 1.00 0.00 N ATOM 399 CA VAL A 25 -8.062 10.266 13.028 1.00 0.00 C ATOM 400 C VAL A 25 -7.312 11.586 13.160 1.00 0.00 C ATOM 401 O VAL A 25 -7.765 12.504 13.844 1.00 0.00 O ATOM 402 CB VAL A 25 -7.755 9.383 14.251 1.00 0.00 C ATOM 403 CG1 VAL A 25 -8.591 9.814 15.446 1.00 0.00 C ATOM 404 CG2 VAL A 25 -7.997 7.917 13.921 1.00 0.00 C ATOM 0 H VAL A 25 -7.181 8.728 11.910 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.134 10.462 12.995 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.704 9.506 14.512 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -8.360 9.178 16.300 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.364 10.851 15.694 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.649 9.723 15.202 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.775 7.306 14.796 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.039 7.776 13.634 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.350 7.618 13.096 1.00 0.00 H new ATOM 414 N CYS A 26 -6.171 11.677 12.487 1.00 0.00 N ATOM 415 CA CYS A 26 -5.360 12.888 12.513 1.00 0.00 C ATOM 416 C CYS A 26 -6.060 14.025 11.777 1.00 0.00 C ATOM 417 O CYS A 26 -5.864 15.198 12.093 1.00 0.00 O ATOM 418 CB CYS A 26 -3.992 12.624 11.881 1.00 0.00 C ATOM 419 SG CYS A 26 -2.672 13.692 12.501 1.00 0.00 S ATOM 0 H CYS A 26 -5.786 10.925 11.916 1.00 0.00 H new ATOM 0 HA CYS A 26 -5.222 13.181 13.554 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -3.717 11.584 12.058 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -4.072 12.753 10.802 1.00 0.00 H new ATOM 0 HG CYS A 26 -1.555 13.390 11.908 1.00 0.00 H new ATOM 425 N GLY A 27 -6.880 13.668 10.791 1.00 0.00 N ATOM 426 CA GLY A 27 -7.601 14.667 10.024 1.00 0.00 C ATOM 427 C GLY A 27 -7.465 14.458 8.528 1.00 0.00 C ATOM 428 O GLY A 27 -6.882 15.291 7.832 1.00 0.00 O ATOM 0 H GLY A 27 -7.057 12.703 10.510 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.656 14.639 10.297 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.230 15.658 10.285 1.00 0.00 H new ATOM 432 N ARG A 28 -8.023 13.356 8.032 1.00 0.00 N ATOM 433 CA ARG A 28 -7.959 13.029 6.612 1.00 0.00 C ATOM 434 C ARG A 28 -8.827 11.815 6.291 1.00 0.00 C ATOM 435 O ARG A 28 -9.666 11.409 7.095 1.00 0.00 O ATOM 436 CB ARG A 28 -6.513 12.747 6.199 1.00 0.00 C ATOM 437 CG ARG A 28 -5.868 13.890 5.435 1.00 0.00 C ATOM 438 CD ARG A 28 -4.363 13.707 5.319 1.00 0.00 C ATOM 439 NE ARG A 28 -3.629 14.735 6.051 1.00 0.00 N ATOM 440 CZ ARG A 28 -2.375 15.085 5.775 1.00 0.00 C ATOM 441 NH1 ARG A 28 -1.719 14.489 4.788 1.00 0.00 N ATOM 442 NH2 ARG A 28 -1.778 16.030 6.487 1.00 0.00 N ATOM 0 H ARG A 28 -8.527 12.672 8.597 1.00 0.00 H new ATOM 0 HA ARG A 28 -8.336 13.885 6.053 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.923 12.538 7.091 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -6.488 11.848 5.582 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.305 13.955 4.439 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.083 14.832 5.939 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.087 12.724 5.700 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.074 13.734 4.268 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.104 15.212 6.817 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.176 13.761 4.239 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -0.758 14.759 4.578 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.280 16.489 7.247 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -0.817 16.298 6.275 1.00 0.00 H new ATOM 456 N THR A 29 -8.613 11.239 5.112 1.00 0.00 N ATOM 457 CA THR A 29 -9.366 10.067 4.681 1.00 0.00 C ATOM 458 C THR A 29 -8.456 9.074 3.967 1.00 0.00 C ATOM 459 O THR A 29 -7.638 9.459 3.132 1.00 0.00 O ATOM 460 CB THR A 29 -10.511 10.484 3.755 1.00 0.00 C ATOM 461 OG1 THR A 29 -11.342 11.442 4.387 1.00 0.00 O ATOM 462 CG2 THR A 29 -11.386 9.327 3.325 1.00 0.00 C ATOM 0 H THR A 29 -7.922 11.566 4.437 1.00 0.00 H new ATOM 0 HA THR A 29 -9.781 9.584 5.565 1.00 0.00 H new ATOM 0 HB THR A 29 -10.030 10.901 2.870 1.00 0.00 H new ATOM 0 HG1 THR A 29 -12.067 11.698 3.779 1.00 0.00 H new ATOM 0 HG21 THR A 29 -12.177 9.693 2.671 1.00 0.00 H new ATOM 0 HG22 THR A 29 -10.783 8.594 2.790 1.00 0.00 H new ATOM 0 HG23 THR A 29 -11.829 8.860 4.204 1.00 0.00 H new ATOM 470 N VAL A 30 -8.604 7.796 4.299 1.00 0.00 N ATOM 471 CA VAL A 30 -7.786 6.752 3.694 1.00 0.00 C ATOM 472 C VAL A 30 -8.502 6.104 2.517 1.00 0.00 C ATOM 473 O VAL A 30 -9.478 5.378 2.693 1.00 0.00 O ATOM 474 CB VAL A 30 -7.413 5.668 4.717 1.00 0.00 C ATOM 475 CG1 VAL A 30 -6.464 4.653 4.100 1.00 0.00 C ATOM 476 CG2 VAL A 30 -6.801 6.299 5.955 1.00 0.00 C ATOM 0 H VAL A 30 -9.282 7.459 4.983 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.874 7.232 3.338 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.321 5.143 5.014 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.212 3.894 4.840 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.944 4.179 3.244 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.555 5.157 3.773 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.542 5.519 6.671 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.902 6.849 5.677 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -7.519 6.983 6.408 1.00 0.00 H new ATOM 486 N ASN A 31 -8.023 6.394 1.316 1.00 0.00 N ATOM 487 CA ASN A 31 -8.614 5.842 0.102 1.00 0.00 C ATOM 488 C ASN A 31 -7.894 4.570 -0.335 1.00 0.00 C ATOM 489 O ASN A 31 -6.704 4.596 -0.656 1.00 0.00 O ATOM 490 CB ASN A 31 -8.570 6.877 -1.024 1.00 0.00 C ATOM 491 CG ASN A 31 -9.950 7.373 -1.407 1.00 0.00 C ATOM 492 OD1 ASN A 31 -10.522 6.943 -2.409 1.00 0.00 O ATOM 493 ND2 ASN A 31 -10.494 8.286 -0.610 1.00 0.00 N ATOM 0 H ASN A 31 -7.226 7.009 1.154 1.00 0.00 H new ATOM 0 HA ASN A 31 -9.652 5.589 0.320 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -7.956 7.722 -0.713 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -8.089 6.439 -1.898 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -11.421 8.658 -0.819 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -9.985 8.615 0.211 1.00 0.00 H new ATOM 500 N VAL A 32 -8.611 3.448 -0.322 1.00 0.00 N ATOM 501 CA VAL A 32 -8.038 2.181 -0.755 1.00 0.00 C ATOM 502 C VAL A 32 -7.737 2.210 -2.254 1.00 0.00 C ATOM 503 O VAL A 32 -7.806 3.265 -2.884 1.00 0.00 O ATOM 504 CB VAL A 32 -8.947 0.983 -0.401 1.00 0.00 C ATOM 505 CG1 VAL A 32 -9.540 1.167 0.988 1.00 0.00 C ATOM 506 CG2 VAL A 32 -10.050 0.780 -1.432 1.00 0.00 C ATOM 0 H VAL A 32 -9.583 3.393 -0.018 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.102 2.046 -0.214 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.329 0.085 -0.409 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -10.179 0.317 1.226 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -8.736 1.234 1.721 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -10.131 2.083 1.013 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -10.665 -0.072 -1.144 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -10.670 1.675 -1.482 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.605 0.592 -2.409 1.00 0.00 H new ATOM 516 N LYS A 33 -7.398 1.055 -2.819 1.00 0.00 N ATOM 517 CA LYS A 33 -7.091 0.967 -4.244 1.00 0.00 C ATOM 518 C LYS A 33 -8.268 1.453 -5.087 1.00 0.00 C ATOM 519 O LYS A 33 -9.299 1.865 -4.553 1.00 0.00 O ATOM 520 CB LYS A 33 -6.737 -0.473 -4.622 1.00 0.00 C ATOM 521 CG LYS A 33 -5.317 -0.631 -5.141 1.00 0.00 C ATOM 522 CD LYS A 33 -5.279 -1.457 -6.417 1.00 0.00 C ATOM 523 CE LYS A 33 -4.365 -0.830 -7.458 1.00 0.00 C ATOM 524 NZ LYS A 33 -5.127 -0.328 -8.635 1.00 0.00 N ATOM 0 H LYS A 33 -7.329 0.171 -2.315 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.234 1.610 -4.446 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.870 -1.113 -3.749 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -7.435 -0.823 -5.383 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.886 0.352 -5.330 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.701 -1.108 -4.379 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.935 -2.466 -6.189 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.286 -1.548 -6.823 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.811 -0.007 -7.006 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.631 -1.566 -7.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.667 0.528 -9.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.146 -1.060 -9.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.100 -0.101 -8.347 1.00 0.00 H new ATOM 538 N ASP A 34 -8.118 1.385 -6.405 1.00 0.00 N ATOM 539 CA ASP A 34 -9.173 1.821 -7.312 1.00 0.00 C ATOM 540 C ASP A 34 -10.109 0.665 -7.636 1.00 0.00 C ATOM 541 O ASP A 34 -11.331 0.813 -7.602 1.00 0.00 O ATOM 542 CB ASP A 34 -8.571 2.383 -8.602 1.00 0.00 C ATOM 543 CG ASP A 34 -9.534 3.294 -9.339 1.00 0.00 C ATOM 544 OD1 ASP A 34 -10.474 2.774 -9.975 1.00 0.00 O ATOM 545 OD2 ASP A 34 -9.347 4.528 -9.278 1.00 0.00 O ATOM 0 H ASP A 34 -7.280 1.034 -6.868 1.00 0.00 H new ATOM 0 HA ASP A 34 -9.744 2.607 -6.819 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -7.662 2.935 -8.365 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.283 1.559 -9.255 1.00 0.00 H new ATOM 550 N ARG A 35 -9.528 -0.490 -7.935 1.00 0.00 N ATOM 551 CA ARG A 35 -10.312 -1.683 -8.227 1.00 0.00 C ATOM 552 C ARG A 35 -10.687 -2.397 -6.930 1.00 0.00 C ATOM 553 O ARG A 35 -11.539 -1.922 -6.179 1.00 0.00 O ATOM 554 CB ARG A 35 -9.539 -2.624 -9.160 1.00 0.00 C ATOM 555 CG ARG A 35 -8.035 -2.624 -8.927 1.00 0.00 C ATOM 556 CD ARG A 35 -7.269 -2.734 -10.235 1.00 0.00 C ATOM 557 NE ARG A 35 -7.485 -1.575 -11.096 1.00 0.00 N ATOM 558 CZ ARG A 35 -6.951 -1.445 -12.307 1.00 0.00 C ATOM 559 NH1 ARG A 35 -6.171 -2.399 -12.799 1.00 0.00 N ATOM 560 NH2 ARG A 35 -7.196 -0.359 -13.028 1.00 0.00 N ATOM 0 H ARG A 35 -8.518 -0.626 -7.982 1.00 0.00 H new ATOM 0 HA ARG A 35 -11.228 -1.381 -8.735 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -9.917 -3.638 -9.031 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -9.737 -2.339 -10.193 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -7.746 -1.709 -8.411 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -7.767 -3.456 -8.276 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.204 -2.835 -10.024 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.577 -3.638 -10.760 1.00 0.00 H new ATOM 0 HE ARG A 35 -8.079 -0.822 -10.749 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -5.979 -3.236 -12.248 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -5.763 -2.296 -13.728 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -7.794 0.377 -12.654 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -6.786 -0.260 -13.957 1.00 0.00 H new ATOM 574 N ARG A 36 -10.046 -3.532 -6.665 1.00 0.00 N ATOM 575 CA ARG A 36 -10.308 -4.288 -5.448 1.00 0.00 C ATOM 576 C ARG A 36 -9.636 -3.636 -4.240 1.00 0.00 C ATOM 577 O ARG A 36 -10.211 -2.757 -3.599 1.00 0.00 O ATOM 578 CB ARG A 36 -9.828 -5.733 -5.607 1.00 0.00 C ATOM 579 CG ARG A 36 -10.207 -6.357 -6.941 1.00 0.00 C ATOM 580 CD ARG A 36 -9.889 -7.842 -6.974 1.00 0.00 C ATOM 581 NE ARG A 36 -11.034 -8.636 -7.414 1.00 0.00 N ATOM 582 CZ ARG A 36 -11.022 -9.964 -7.502 1.00 0.00 C ATOM 583 NH1 ARG A 36 -9.929 -10.644 -7.182 1.00 0.00 N ATOM 584 NH2 ARG A 36 -12.104 -10.611 -7.911 1.00 0.00 N ATOM 0 H ARG A 36 -9.343 -3.946 -7.277 1.00 0.00 H new ATOM 0 HA ARG A 36 -11.384 -4.290 -5.276 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -8.744 -5.761 -5.497 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -10.246 -6.337 -4.801 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -11.271 -6.208 -7.124 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -9.672 -5.852 -7.745 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -9.047 -8.018 -7.643 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -9.581 -8.169 -5.981 1.00 0.00 H new ATOM 0 HE ARG A 36 -11.891 -8.145 -7.668 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -9.094 -10.149 -6.867 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.923 -11.662 -7.251 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -12.946 -10.091 -8.158 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -12.095 -11.629 -7.978 1.00 0.00 H new ATOM 598 N ILE A 37 -8.420 -4.079 -3.933 1.00 0.00 N ATOM 599 CA ILE A 37 -7.676 -3.561 -2.791 1.00 0.00 C ATOM 600 C ILE A 37 -6.173 -3.745 -2.989 1.00 0.00 C ATOM 601 O ILE A 37 -5.739 -4.606 -3.755 1.00 0.00 O ATOM 602 CB ILE A 37 -8.133 -4.259 -1.486 1.00 0.00 C ATOM 603 CG1 ILE A 37 -8.926 -3.278 -0.617 1.00 0.00 C ATOM 604 CG2 ILE A 37 -6.953 -4.843 -0.713 1.00 0.00 C ATOM 605 CD1 ILE A 37 -8.071 -2.246 0.086 1.00 0.00 C ATOM 0 H ILE A 37 -7.928 -4.799 -4.462 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.882 -2.494 -2.710 1.00 0.00 H new ATOM 0 HB ILE A 37 -8.780 -5.093 -1.758 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -9.657 -2.764 -1.242 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -9.485 -3.841 0.130 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -7.315 -5.324 0.196 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -6.440 -5.578 -1.333 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.260 -4.044 -0.449 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -8.707 -1.590 0.680 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.357 -2.748 0.739 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -7.532 -1.655 -0.654 1.00 0.00 H new ATOM 617 N PHE A 38 -5.385 -2.943 -2.280 1.00 0.00 N ATOM 618 CA PHE A 38 -3.934 -3.042 -2.350 1.00 0.00 C ATOM 619 C PHE A 38 -3.419 -3.988 -1.270 1.00 0.00 C ATOM 620 O PHE A 38 -4.025 -4.111 -0.210 1.00 0.00 O ATOM 621 CB PHE A 38 -3.298 -1.659 -2.180 1.00 0.00 C ATOM 622 CG PHE A 38 -2.158 -1.391 -3.123 1.00 0.00 C ATOM 623 CD1 PHE A 38 -1.135 -2.314 -3.281 1.00 0.00 C ATOM 624 CD2 PHE A 38 -2.102 -0.207 -3.840 1.00 0.00 C ATOM 625 CE1 PHE A 38 -0.086 -2.065 -4.145 1.00 0.00 C ATOM 626 CE2 PHE A 38 -1.055 0.047 -4.705 1.00 0.00 C ATOM 627 CZ PHE A 38 -0.045 -0.883 -4.857 1.00 0.00 C ATOM 0 H PHE A 38 -5.728 -2.218 -1.651 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.659 -3.437 -3.328 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -4.064 -0.897 -2.326 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.940 -1.558 -1.155 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.159 -3.238 -2.722 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.886 0.526 -3.721 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.701 -2.795 -4.263 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.026 0.972 -5.262 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.775 -0.686 -5.532 1.00 0.00 H new ATOM 637 N GLY A 39 -2.315 -4.667 -1.557 1.00 0.00 N ATOM 638 CA GLY A 39 -1.733 -5.594 -0.599 1.00 0.00 C ATOM 639 C GLY A 39 -2.762 -6.493 0.062 1.00 0.00 C ATOM 640 O GLY A 39 -3.338 -6.139 1.089 1.00 0.00 O ATOM 0 H GLY A 39 -1.809 -4.593 -2.439 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.991 -6.212 -1.105 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.206 -5.029 0.170 1.00 0.00 H new ATOM 644 N ARG A 40 -2.988 -7.665 -0.520 1.00 0.00 N ATOM 645 CA ARG A 40 -3.933 -8.621 0.042 1.00 0.00 C ATOM 646 C ARG A 40 -3.215 -9.551 1.008 1.00 0.00 C ATOM 647 O ARG A 40 -2.683 -10.589 0.614 1.00 0.00 O ATOM 648 CB ARG A 40 -4.600 -9.432 -1.066 1.00 0.00 C ATOM 649 CG ARG A 40 -5.950 -10.011 -0.673 1.00 0.00 C ATOM 650 CD ARG A 40 -6.995 -8.923 -0.499 1.00 0.00 C ATOM 651 NE ARG A 40 -7.372 -8.316 -1.772 1.00 0.00 N ATOM 652 CZ ARG A 40 -8.399 -8.725 -2.512 1.00 0.00 C ATOM 653 NH1 ARG A 40 -9.153 -9.738 -2.108 1.00 0.00 N ATOM 654 NH2 ARG A 40 -8.673 -8.118 -3.659 1.00 0.00 N ATOM 0 H ARG A 40 -2.531 -7.975 -1.378 1.00 0.00 H new ATOM 0 HA ARG A 40 -4.705 -8.071 0.580 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.729 -8.796 -1.942 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -3.937 -10.246 -1.358 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.281 -10.715 -1.436 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.850 -10.572 0.256 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -7.880 -9.344 -0.022 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.609 -8.153 0.169 1.00 0.00 H new ATOM 0 HE ARG A 40 -6.815 -7.533 -2.114 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -8.947 -10.207 -1.226 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -9.939 -10.048 -2.679 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.096 -7.338 -3.974 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.460 -8.432 -4.227 1.00 0.00 H new ATOM 668 N ALA A 41 -3.165 -9.144 2.268 1.00 0.00 N ATOM 669 CA ALA A 41 -2.472 -9.911 3.291 1.00 0.00 C ATOM 670 C ALA A 41 -3.420 -10.839 4.034 1.00 0.00 C ATOM 671 O ALA A 41 -4.373 -10.391 4.665 1.00 0.00 O ATOM 672 CB ALA A 41 -1.785 -8.974 4.268 1.00 0.00 C ATOM 0 H ALA A 41 -3.598 -8.284 2.606 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.723 -10.529 2.795 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.269 -9.558 5.030 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.063 -8.356 3.733 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.529 -8.334 4.743 1.00 0.00 H new ATOM 678 N ASP A 42 -3.140 -12.134 3.972 1.00 0.00 N ATOM 679 CA ASP A 42 -3.952 -13.119 4.670 1.00 0.00 C ATOM 680 C ASP A 42 -3.521 -13.222 6.128 1.00 0.00 C ATOM 681 O ASP A 42 -4.351 -13.378 7.024 1.00 0.00 O ATOM 682 CB ASP A 42 -3.832 -14.485 3.990 1.00 0.00 C ATOM 683 CG ASP A 42 -5.067 -15.343 4.189 1.00 0.00 C ATOM 684 OD1 ASP A 42 -5.959 -14.932 4.959 1.00 0.00 O ATOM 685 OD2 ASP A 42 -5.140 -16.428 3.574 1.00 0.00 O ATOM 0 H ASP A 42 -2.358 -12.525 3.446 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.993 -12.798 4.633 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.661 -14.342 2.923 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.962 -15.009 4.385 1.00 0.00 H new ATOM 690 N ASP A 43 -2.211 -13.168 6.351 1.00 0.00 N ATOM 691 CA ASP A 43 -1.657 -13.240 7.698 1.00 0.00 C ATOM 692 C ASP A 43 -1.514 -11.850 8.307 1.00 0.00 C ATOM 693 O ASP A 43 -1.053 -10.920 7.644 1.00 0.00 O ATOM 694 CB ASP A 43 -0.299 -13.943 7.675 1.00 0.00 C ATOM 695 CG ASP A 43 -0.428 -15.453 7.703 1.00 0.00 C ATOM 696 OD1 ASP A 43 -1.030 -16.013 6.764 1.00 0.00 O ATOM 697 OD2 ASP A 43 0.069 -16.073 8.665 1.00 0.00 O ATOM 0 H ASP A 43 -1.512 -13.074 5.614 1.00 0.00 H new ATOM 0 HA ASP A 43 -2.347 -13.815 8.316 1.00 0.00 H new ATOM 0 HB2 ASP A 43 0.246 -13.644 6.780 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.291 -13.616 8.531 1.00 0.00 H new ATOM 702 N PHE A 44 -1.901 -11.716 9.571 1.00 0.00 N ATOM 703 CA PHE A 44 -1.785 -10.442 10.271 1.00 0.00 C ATOM 704 C PHE A 44 -0.342 -9.948 10.251 1.00 0.00 C ATOM 705 O PHE A 44 -0.087 -8.749 10.137 1.00 0.00 O ATOM 706 CB PHE A 44 -2.273 -10.579 11.714 1.00 0.00 C ATOM 707 CG PHE A 44 -2.138 -9.316 12.518 1.00 0.00 C ATOM 708 CD1 PHE A 44 -3.082 -8.309 12.411 1.00 0.00 C ATOM 709 CD2 PHE A 44 -1.066 -9.137 13.378 1.00 0.00 C ATOM 710 CE1 PHE A 44 -2.961 -7.145 13.147 1.00 0.00 C ATOM 711 CE2 PHE A 44 -0.938 -7.976 14.116 1.00 0.00 C ATOM 712 CZ PHE A 44 -1.887 -6.979 14.001 1.00 0.00 C ATOM 0 H PHE A 44 -2.297 -12.472 10.130 1.00 0.00 H new ATOM 0 HA PHE A 44 -2.410 -9.712 9.757 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -3.319 -10.885 11.707 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -1.711 -11.374 12.205 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.923 -8.434 11.745 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -0.322 -9.914 13.472 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -3.704 -6.367 13.055 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -0.097 -7.848 14.782 1.00 0.00 H new ATOM 0 HZ PHE A 44 -1.790 -6.071 14.578 1.00 0.00 H new ATOM 722 N GLU A 45 0.597 -10.884 10.358 1.00 0.00 N ATOM 723 CA GLU A 45 2.016 -10.550 10.343 1.00 0.00 C ATOM 724 C GLU A 45 2.425 -9.999 8.982 1.00 0.00 C ATOM 725 O GLU A 45 3.157 -9.014 8.894 1.00 0.00 O ATOM 726 CB GLU A 45 2.856 -11.783 10.682 1.00 0.00 C ATOM 727 CG GLU A 45 3.391 -11.783 12.105 1.00 0.00 C ATOM 728 CD GLU A 45 4.753 -11.129 12.215 1.00 0.00 C ATOM 729 OE1 GLU A 45 4.834 -9.894 12.041 1.00 0.00 O ATOM 730 OE2 GLU A 45 5.739 -11.850 12.478 1.00 0.00 O ATOM 0 H GLU A 45 0.400 -11.880 10.456 1.00 0.00 H new ATOM 0 HA GLU A 45 2.194 -9.783 11.096 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.251 -12.677 10.530 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.694 -11.843 9.988 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.688 -11.261 12.754 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.455 -12.810 12.465 1.00 0.00 H new ATOM 737 N GLU A 46 1.937 -10.638 7.923 1.00 0.00 N ATOM 738 CA GLU A 46 2.239 -10.207 6.565 1.00 0.00 C ATOM 739 C GLU A 46 1.581 -8.863 6.272 1.00 0.00 C ATOM 740 O GLU A 46 2.039 -8.111 5.412 1.00 0.00 O ATOM 741 CB GLU A 46 1.760 -11.253 5.557 1.00 0.00 C ATOM 742 CG GLU A 46 2.799 -12.317 5.241 1.00 0.00 C ATOM 743 CD GLU A 46 2.216 -13.502 4.496 1.00 0.00 C ATOM 744 OE1 GLU A 46 1.105 -13.368 3.941 1.00 0.00 O ATOM 745 OE2 GLU A 46 2.870 -14.565 4.466 1.00 0.00 O ATOM 0 H GLU A 46 1.331 -11.456 7.981 1.00 0.00 H new ATOM 0 HA GLU A 46 3.319 -10.095 6.473 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.864 -11.737 5.946 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.475 -10.750 4.633 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.596 -11.874 4.644 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.252 -12.664 6.170 1.00 0.00 H new ATOM 752 N ALA A 47 0.499 -8.575 6.988 1.00 0.00 N ATOM 753 CA ALA A 47 -0.223 -7.319 6.820 1.00 0.00 C ATOM 754 C ALA A 47 0.678 -6.124 7.113 1.00 0.00 C ATOM 755 O ALA A 47 0.843 -5.239 6.274 1.00 0.00 O ATOM 756 CB ALA A 47 -1.450 -7.293 7.720 1.00 0.00 C ATOM 0 H ALA A 47 0.102 -9.197 7.692 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.546 -7.249 5.781 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.980 -6.350 7.585 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.110 -8.121 7.460 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.140 -7.389 8.761 1.00 0.00 H new ATOM 762 N SER A 48 1.252 -6.104 8.312 1.00 0.00 N ATOM 763 CA SER A 48 2.133 -5.017 8.724 1.00 0.00 C ATOM 764 C SER A 48 3.330 -4.895 7.787 1.00 0.00 C ATOM 765 O SER A 48 3.809 -3.793 7.519 1.00 0.00 O ATOM 766 CB SER A 48 2.615 -5.243 10.158 1.00 0.00 C ATOM 767 OG SER A 48 2.031 -4.305 11.046 1.00 0.00 O ATOM 0 H SER A 48 1.122 -6.830 9.017 1.00 0.00 H new ATOM 0 HA SER A 48 1.566 -4.087 8.678 1.00 0.00 H new ATOM 0 HB2 SER A 48 2.362 -6.255 10.475 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.701 -5.159 10.198 1.00 0.00 H new ATOM 0 HG SER A 48 2.354 -4.472 11.956 1.00 0.00 H new ATOM 773 N GLU A 49 3.811 -6.032 7.295 1.00 0.00 N ATOM 774 CA GLU A 49 4.958 -6.051 6.394 1.00 0.00 C ATOM 775 C GLU A 49 4.597 -5.457 5.037 1.00 0.00 C ATOM 776 O GLU A 49 5.393 -4.739 4.431 1.00 0.00 O ATOM 777 CB GLU A 49 5.470 -7.483 6.218 1.00 0.00 C ATOM 778 CG GLU A 49 6.759 -7.764 6.975 1.00 0.00 C ATOM 779 CD GLU A 49 7.151 -9.227 6.940 1.00 0.00 C ATOM 780 OE1 GLU A 49 6.244 -10.085 6.952 1.00 0.00 O ATOM 781 OE2 GLU A 49 8.366 -9.515 6.901 1.00 0.00 O ATOM 0 H GLU A 49 3.424 -6.952 7.505 1.00 0.00 H new ATOM 0 HA GLU A 49 5.746 -5.442 6.837 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.701 -8.179 6.554 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.632 -7.675 5.157 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.564 -7.166 6.548 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.643 -7.448 8.012 1.00 0.00 H new ATOM 788 N LEU A 50 3.391 -5.760 4.565 1.00 0.00 N ATOM 789 CA LEU A 50 2.921 -5.249 3.284 1.00 0.00 C ATOM 790 C LEU A 50 2.712 -3.740 3.353 1.00 0.00 C ATOM 791 O LEU A 50 3.031 -3.013 2.412 1.00 0.00 O ATOM 792 CB LEU A 50 1.618 -5.944 2.884 1.00 0.00 C ATOM 793 CG LEU A 50 1.724 -6.864 1.666 1.00 0.00 C ATOM 794 CD1 LEU A 50 0.399 -7.565 1.409 1.00 0.00 C ATOM 795 CD2 LEU A 50 2.158 -6.073 0.441 1.00 0.00 C ATOM 0 H LEU A 50 2.722 -6.357 5.052 1.00 0.00 H new ATOM 0 HA LEU A 50 3.679 -5.459 2.529 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.260 -6.528 3.732 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.865 -5.183 2.681 1.00 0.00 H new ATOM 0 HG LEU A 50 2.478 -7.624 1.871 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.494 -8.215 0.539 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.128 -8.162 2.280 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.376 -6.821 1.224 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.229 -6.741 -0.417 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.426 -5.293 0.234 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.131 -5.618 0.628 1.00 0.00 H new ATOM 807 N VAL A 51 2.198 -3.278 4.488 1.00 0.00 N ATOM 808 CA VAL A 51 1.961 -1.857 4.705 1.00 0.00 C ATOM 809 C VAL A 51 3.275 -1.082 4.727 1.00 0.00 C ATOM 810 O VAL A 51 3.369 0.015 4.178 1.00 0.00 O ATOM 811 CB VAL A 51 1.215 -1.616 6.030 1.00 0.00 C ATOM 812 CG1 VAL A 51 1.167 -0.134 6.365 1.00 0.00 C ATOM 813 CG2 VAL A 51 -0.186 -2.202 5.969 1.00 0.00 C ATOM 0 H VAL A 51 1.937 -3.871 5.275 1.00 0.00 H new ATOM 0 HA VAL A 51 1.346 -1.503 3.878 1.00 0.00 H new ATOM 0 HB VAL A 51 1.763 -2.122 6.825 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.635 0.009 7.305 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.182 0.251 6.460 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.649 0.402 5.570 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.697 -2.022 6.915 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.743 -1.730 5.160 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.124 -3.275 5.789 1.00 0.00 H new ATOM 823 N ARG A 52 4.288 -1.664 5.365 1.00 0.00 N ATOM 824 CA ARG A 52 5.596 -1.028 5.451 1.00 0.00 C ATOM 825 C ARG A 52 6.173 -0.827 4.059 1.00 0.00 C ATOM 826 O ARG A 52 6.761 0.212 3.761 1.00 0.00 O ATOM 827 CB ARG A 52 6.549 -1.873 6.299 1.00 0.00 C ATOM 828 CG ARG A 52 6.230 -1.844 7.785 1.00 0.00 C ATOM 829 CD ARG A 52 6.713 -0.557 8.433 1.00 0.00 C ATOM 830 NE ARG A 52 7.351 -0.802 9.723 1.00 0.00 N ATOM 831 CZ ARG A 52 6.771 -0.550 10.895 1.00 0.00 C ATOM 832 NH1 ARG A 52 5.544 -0.046 10.937 1.00 0.00 N ATOM 833 NH2 ARG A 52 7.418 -0.801 12.024 1.00 0.00 N ATOM 0 H ARG A 52 4.227 -2.571 5.827 1.00 0.00 H new ATOM 0 HA ARG A 52 5.477 -0.055 5.928 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.516 -2.905 5.949 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.568 -1.518 6.148 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.154 -1.944 7.929 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.698 -2.698 8.275 1.00 0.00 H new ATOM 0 HD2 ARG A 52 7.418 -0.059 7.768 1.00 0.00 H new ATOM 0 HD3 ARG A 52 5.869 0.120 8.568 1.00 0.00 H new ATOM 0 HE ARG A 52 8.295 -1.188 9.727 1.00 0.00 H new ATOM 0 HH11 ARG A 52 5.043 0.149 10.070 1.00 0.00 H new ATOM 0 HH12 ARG A 52 5.102 0.146 11.836 1.00 0.00 H new ATOM 0 HH21 ARG A 52 8.361 -1.188 11.996 1.00 0.00 H new ATOM 0 HH22 ARG A 52 6.973 -0.607 12.921 1.00 0.00 H new ATOM 847 N LYS A 53 5.980 -1.822 3.202 1.00 0.00 N ATOM 848 CA LYS A 53 6.424 -1.729 1.820 1.00 0.00 C ATOM 849 C LYS A 53 5.592 -0.684 1.088 1.00 0.00 C ATOM 850 O LYS A 53 6.095 0.045 0.235 1.00 0.00 O ATOM 851 CB LYS A 53 6.298 -3.083 1.123 1.00 0.00 C ATOM 852 CG LYS A 53 7.338 -3.308 0.038 1.00 0.00 C ATOM 853 CD LYS A 53 8.645 -3.823 0.617 1.00 0.00 C ATOM 854 CE LYS A 53 9.773 -3.746 -0.399 1.00 0.00 C ATOM 855 NZ LYS A 53 10.704 -4.902 -0.286 1.00 0.00 N ATOM 0 H LYS A 53 5.520 -2.700 3.441 1.00 0.00 H new ATOM 0 HA LYS A 53 7.473 -1.433 1.805 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.384 -3.875 1.867 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.304 -3.165 0.684 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.956 -4.022 -0.691 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.518 -2.374 -0.494 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.908 -3.240 1.499 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.518 -4.855 0.944 1.00 0.00 H new ATOM 0 HE2 LYS A 53 9.354 -3.715 -1.405 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.327 -2.818 -0.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.458 -4.811 -0.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 11.124 -4.918 0.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 10.181 -5.786 -0.448 1.00 0.00 H new ATOM 869 N LEU A 54 4.310 -0.623 1.440 1.00 0.00 N ATOM 870 CA LEU A 54 3.394 0.344 0.851 1.00 0.00 C ATOM 871 C LEU A 54 3.766 1.764 1.265 1.00 0.00 C ATOM 872 O LEU A 54 3.350 2.736 0.633 1.00 0.00 O ATOM 873 CB LEU A 54 1.957 0.036 1.285 1.00 0.00 C ATOM 874 CG LEU A 54 1.023 -0.459 0.177 1.00 0.00 C ATOM 875 CD1 LEU A 54 0.830 0.617 -0.880 1.00 0.00 C ATOM 876 CD2 LEU A 54 1.559 -1.739 -0.449 1.00 0.00 C ATOM 0 H LEU A 54 3.883 -1.236 2.134 1.00 0.00 H new ATOM 0 HA LEU A 54 3.467 0.269 -0.234 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.988 -0.717 2.073 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.527 0.937 1.722 1.00 0.00 H new ATOM 0 HG LEU A 54 0.053 -0.680 0.622 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.163 0.247 -1.659 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.394 1.504 -0.421 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.794 0.873 -1.319 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.880 -2.073 -1.233 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.543 -1.550 -0.877 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.638 -2.512 0.315 1.00 0.00 H new ATOM 888 N GLN A 55 4.547 1.876 2.336 1.00 0.00 N ATOM 889 CA GLN A 55 4.965 3.175 2.853 1.00 0.00 C ATOM 890 C GLN A 55 5.903 3.881 1.881 1.00 0.00 C ATOM 891 O GLN A 55 6.064 3.459 0.735 1.00 0.00 O ATOM 892 CB GLN A 55 5.656 3.010 4.207 1.00 0.00 C ATOM 893 CG GLN A 55 4.692 2.902 5.377 1.00 0.00 C ATOM 894 CD GLN A 55 3.768 4.099 5.485 1.00 0.00 C ATOM 895 OE1 GLN A 55 2.585 4.014 5.159 1.00 0.00 O ATOM 896 NE2 GLN A 55 4.304 5.221 5.949 1.00 0.00 N ATOM 0 H GLN A 55 4.904 1.080 2.864 1.00 0.00 H new ATOM 0 HA GLN A 55 4.071 3.787 2.975 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.281 2.117 4.179 1.00 0.00 H new ATOM 0 HB3 GLN A 55 6.320 3.859 4.372 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.096 1.996 5.269 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.259 2.801 6.302 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.290 5.246 6.207 1.00 0.00 H new ATOM 0 HE22 GLN A 55 3.730 6.058 6.047 1.00 0.00 H new