USER MOD reduce.3.24.130724 H: found=0, std=0, add=440, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 440 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 26 THR OG1 : rot -37:sc= -3.64! USER MOD Set 1.2: A 39 SER OG : rot 72:sc= 0.246 USER MOD Single : A 1 ILE N :NH3+ -173:sc= -0.715 (180deg=-0.869) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 154:sc= -6.79! (180deg=-8.02!) USER MOD Single : A 30 LYS NZ :NH3+ -162:sc= -0.405 (180deg=-1.16) USER MOD Single : A 31 CYS SG : rot 64:sc= -0.299 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.83 K(o=-0.83,f=-0.11) USER MOD Single : A 43 GLN : amide:sc= 0.102 X(o=0.1,f=0) USER MOD Single : A 49 SER OG : rot 13:sc= 0.7! USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 10.744 -2.010 9.619 1.00 0.00 N ATOM 2 CA ILE A 1 9.379 -1.679 10.104 1.00 0.00 C ATOM 3 C ILE A 1 8.398 -1.557 8.940 1.00 0.00 C ATOM 4 O ILE A 1 8.720 -0.972 7.906 1.00 0.00 O ATOM 5 CB ILE A 1 9.370 -0.358 10.897 1.00 0.00 C ATOM 6 CG1 ILE A 1 10.515 -0.333 11.912 1.00 0.00 C ATOM 7 CG2 ILE A 1 8.032 -0.171 11.596 1.00 0.00 C ATOM 8 CD1 ILE A 1 10.590 0.954 12.704 1.00 0.00 C ATOM 0 H1 ILE A 1 11.364 -2.204 10.431 1.00 0.00 H new ATOM 0 H2 ILE A 1 10.701 -2.851 9.008 1.00 0.00 H new ATOM 0 H3 ILE A 1 11.124 -1.208 9.077 1.00 0.00 H new ATOM 0 HA ILE A 1 9.071 -2.494 10.759 1.00 0.00 H new ATOM 0 HB ILE A 1 9.514 0.467 10.199 1.00 0.00 H new ATOM 0 HG12 ILE A 1 10.397 -1.169 12.602 1.00 0.00 H new ATOM 0 HG13 ILE A 1 11.459 -0.483 11.387 1.00 0.00 H new ATOM 0 HG21 ILE A 1 8.040 0.766 12.152 1.00 0.00 H new ATOM 0 HG22 ILE A 1 7.234 -0.146 10.854 1.00 0.00 H new ATOM 0 HG23 ILE A 1 7.862 -1.000 12.283 1.00 0.00 H new ATOM 0 HD11 ILE A 1 11.424 0.902 13.404 1.00 0.00 H new ATOM 0 HD12 ILE A 1 10.739 1.792 12.023 1.00 0.00 H new ATOM 0 HD13 ILE A 1 9.661 1.096 13.256 1.00 0.00 H new ATOM 22 N PRO A 2 7.182 -2.111 9.091 1.00 0.00 N ATOM 23 CA PRO A 2 6.158 -2.064 8.050 1.00 0.00 C ATOM 24 C PRO A 2 5.337 -0.776 8.086 1.00 0.00 C ATOM 25 O PRO A 2 5.726 0.202 8.723 1.00 0.00 O ATOM 26 CB PRO A 2 5.286 -3.268 8.394 1.00 0.00 C ATOM 27 CG PRO A 2 5.356 -3.363 9.881 1.00 0.00 C ATOM 28 CD PRO A 2 6.710 -2.836 10.287 1.00 0.00 C ATOM 0 HA PRO A 2 6.584 -2.087 7.047 1.00 0.00 H new ATOM 0 HB2 PRO A 2 4.261 -3.127 8.053 1.00 0.00 H new ATOM 0 HB3 PRO A 2 5.658 -4.176 7.920 1.00 0.00 H new ATOM 0 HG2 PRO A 2 4.560 -2.780 10.344 1.00 0.00 H new ATOM 0 HG3 PRO A 2 5.228 -4.395 10.209 1.00 0.00 H new ATOM 0 HD2 PRO A 2 6.639 -2.176 11.152 1.00 0.00 H new ATOM 0 HD3 PRO A 2 7.389 -3.645 10.558 1.00 0.00 H new ATOM 36 N ALA A 3 4.201 -0.787 7.395 1.00 0.00 N ATOM 37 CA ALA A 3 3.320 0.369 7.337 1.00 0.00 C ATOM 38 C ALA A 3 1.922 0.024 7.849 1.00 0.00 C ATOM 39 O ALA A 3 1.489 -1.125 7.777 1.00 0.00 O ATOM 40 CB ALA A 3 3.251 0.906 5.914 1.00 0.00 C ATOM 0 H ALA A 3 3.869 -1.592 6.864 1.00 0.00 H new ATOM 0 HA ALA A 3 3.731 1.143 7.986 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.589 1.771 5.883 1.00 0.00 H new ATOM 0 HB2 ALA A 3 4.248 1.201 5.588 1.00 0.00 H new ATOM 0 HB3 ALA A 3 2.867 0.131 5.251 1.00 0.00 H new ATOM 46 N PHE A 4 1.221 1.031 8.370 1.00 0.00 N ATOM 47 CA PHE A 4 -0.121 0.845 8.901 1.00 0.00 C ATOM 48 C PHE A 4 -1.171 1.468 7.984 1.00 0.00 C ATOM 49 O PHE A 4 -1.151 2.671 7.733 1.00 0.00 O ATOM 50 CB PHE A 4 -0.225 1.471 10.286 1.00 0.00 C ATOM 51 CG PHE A 4 -1.378 0.956 11.103 1.00 0.00 C ATOM 52 CD1 PHE A 4 -2.672 1.372 10.835 1.00 0.00 C ATOM 53 CD2 PHE A 4 -1.166 0.062 12.142 1.00 0.00 C ATOM 54 CE1 PHE A 4 -3.735 0.904 11.586 1.00 0.00 C ATOM 55 CE2 PHE A 4 -2.226 -0.409 12.896 1.00 0.00 C ATOM 56 CZ PHE A 4 -3.511 0.012 12.617 1.00 0.00 C ATOM 0 H PHE A 4 1.567 1.988 8.434 1.00 0.00 H new ATOM 0 HA PHE A 4 -0.309 -0.227 8.965 1.00 0.00 H new ATOM 0 HB2 PHE A 4 0.703 1.286 10.828 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.322 2.551 10.179 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -2.853 2.070 10.031 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -0.163 -0.270 12.365 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -4.739 1.236 11.367 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -2.048 -1.105 13.702 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.340 -0.355 13.204 1.00 0.00 H new ATOM 66 N VAL A 5 -2.092 0.646 7.499 1.00 0.00 N ATOM 67 CA VAL A 5 -3.155 1.124 6.622 1.00 0.00 C ATOM 68 C VAL A 5 -4.240 1.833 7.428 1.00 0.00 C ATOM 69 O VAL A 5 -4.446 1.532 8.603 1.00 0.00 O ATOM 70 CB VAL A 5 -3.785 -0.037 5.831 1.00 0.00 C ATOM 71 CG1 VAL A 5 -4.906 0.464 4.930 1.00 0.00 C ATOM 72 CG2 VAL A 5 -2.726 -0.767 5.020 1.00 0.00 C ATOM 0 H VAL A 5 -2.125 -0.354 7.697 1.00 0.00 H new ATOM 0 HA VAL A 5 -2.709 1.828 5.920 1.00 0.00 H new ATOM 0 HB VAL A 5 -4.216 -0.740 6.544 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.335 -0.375 4.382 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -5.679 0.933 5.538 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -4.507 1.193 4.224 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -3.190 -1.584 4.468 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.262 -0.073 4.319 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.966 -1.168 5.691 1.00 0.00 H new ATOM 82 N LYS A 6 -4.926 2.778 6.795 1.00 0.00 N ATOM 83 CA LYS A 6 -5.981 3.528 7.467 1.00 0.00 C ATOM 84 C LYS A 6 -7.365 3.060 7.038 1.00 0.00 C ATOM 85 O LYS A 6 -8.249 2.860 7.871 1.00 0.00 O ATOM 86 CB LYS A 6 -5.827 5.024 7.188 1.00 0.00 C ATOM 87 CG LYS A 6 -4.566 5.629 7.784 1.00 0.00 C ATOM 88 CD LYS A 6 -4.394 7.081 7.367 1.00 0.00 C ATOM 89 CE LYS A 6 -5.401 7.983 8.061 1.00 0.00 C ATOM 90 NZ LYS A 6 -5.898 9.058 7.159 1.00 0.00 N ATOM 0 H LYS A 6 -4.772 3.042 5.822 1.00 0.00 H new ATOM 0 HA LYS A 6 -5.883 3.347 8.537 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -5.822 5.185 6.110 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -6.695 5.550 7.585 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -4.609 5.564 8.871 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -3.698 5.052 7.464 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -3.383 7.412 7.605 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -4.511 7.167 6.287 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -6.243 7.385 8.411 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -4.940 8.432 8.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.582 9.651 7.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -5.099 9.644 6.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -6.361 8.631 6.331 1.00 0.00 H new ATOM 104 N PHE A 7 -7.549 2.899 5.738 1.00 0.00 N ATOM 105 CA PHE A 7 -8.830 2.466 5.199 1.00 0.00 C ATOM 106 C PHE A 7 -8.653 1.475 4.053 1.00 0.00 C ATOM 107 O PHE A 7 -7.654 1.510 3.334 1.00 0.00 O ATOM 108 CB PHE A 7 -9.637 3.675 4.726 1.00 0.00 C ATOM 109 CG PHE A 7 -11.000 3.769 5.351 1.00 0.00 C ATOM 110 CD1 PHE A 7 -11.153 4.249 6.642 1.00 0.00 C ATOM 111 CD2 PHE A 7 -12.128 3.378 4.647 1.00 0.00 C ATOM 112 CE1 PHE A 7 -12.406 4.338 7.219 1.00 0.00 C ATOM 113 CE2 PHE A 7 -13.383 3.465 5.218 1.00 0.00 C ATOM 114 CZ PHE A 7 -13.522 3.946 6.505 1.00 0.00 C ATOM 0 H PHE A 7 -6.828 3.061 5.035 1.00 0.00 H new ATOM 0 HA PHE A 7 -9.371 1.959 5.998 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -9.080 4.584 4.951 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -9.746 3.628 3.642 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -10.283 4.557 7.204 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -12.025 3.001 3.640 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -12.512 4.713 8.226 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -14.254 3.157 4.659 1.00 0.00 H new ATOM 0 HZ PHE A 7 -14.502 4.016 6.953 1.00 0.00 H new ATOM 124 N ALA A 8 -9.637 0.596 3.887 1.00 0.00 N ATOM 125 CA ALA A 8 -9.607 -0.403 2.829 1.00 0.00 C ATOM 126 C ALA A 8 -10.283 0.120 1.569 1.00 0.00 C ATOM 127 O ALA A 8 -11.318 0.782 1.639 1.00 0.00 O ATOM 128 CB ALA A 8 -10.286 -1.683 3.288 1.00 0.00 C ATOM 0 H ALA A 8 -10.469 0.557 4.476 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.564 -0.618 2.598 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.255 -2.419 2.485 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.767 -2.077 4.162 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -11.324 -1.472 3.547 1.00 0.00 H new ATOM 134 N TYR A 9 -9.698 -0.181 0.417 1.00 0.00 N ATOM 135 CA TYR A 9 -10.259 0.263 -0.853 1.00 0.00 C ATOM 136 C TYR A 9 -10.257 -0.866 -1.876 1.00 0.00 C ATOM 137 O TYR A 9 -9.371 -1.721 -1.871 1.00 0.00 O ATOM 138 CB TYR A 9 -9.471 1.459 -1.391 1.00 0.00 C ATOM 139 CG TYR A 9 -10.276 2.356 -2.304 1.00 0.00 C ATOM 140 CD1 TYR A 9 -11.386 3.045 -1.832 1.00 0.00 C ATOM 141 CD2 TYR A 9 -9.924 2.514 -3.639 1.00 0.00 C ATOM 142 CE1 TYR A 9 -12.122 3.866 -2.665 1.00 0.00 C ATOM 143 CE2 TYR A 9 -10.654 3.334 -4.476 1.00 0.00 C ATOM 144 CZ TYR A 9 -11.753 4.007 -3.986 1.00 0.00 C ATOM 145 OH TYR A 9 -12.483 4.825 -4.818 1.00 0.00 O ATOM 0 H TYR A 9 -8.841 -0.727 0.335 1.00 0.00 H new ATOM 0 HA TYR A 9 -11.292 0.565 -0.679 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -9.102 2.047 -0.551 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -8.598 1.094 -1.932 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -11.678 2.937 -0.798 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -9.065 1.987 -4.028 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -12.983 4.395 -2.283 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -10.365 3.448 -5.510 1.00 0.00 H new ATOM 0 HH TYR A 9 -12.089 4.814 -5.715 1.00 0.00 H new ATOM 155 N VAL A 10 -11.247 -0.856 -2.762 1.00 0.00 N ATOM 156 CA VAL A 10 -11.351 -1.868 -3.800 1.00 0.00 C ATOM 157 C VAL A 10 -10.552 -1.427 -5.016 1.00 0.00 C ATOM 158 O VAL A 10 -10.697 -0.298 -5.485 1.00 0.00 O ATOM 159 CB VAL A 10 -12.815 -2.121 -4.208 1.00 0.00 C ATOM 160 CG1 VAL A 10 -13.554 -2.868 -3.108 1.00 0.00 C ATOM 161 CG2 VAL A 10 -13.516 -0.810 -4.533 1.00 0.00 C ATOM 0 H VAL A 10 -11.989 -0.156 -2.780 1.00 0.00 H new ATOM 0 HA VAL A 10 -10.950 -2.801 -3.403 1.00 0.00 H new ATOM 0 HB VAL A 10 -12.819 -2.740 -5.105 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -14.586 -3.038 -3.414 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -13.067 -3.826 -2.928 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -13.539 -2.276 -2.193 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -14.549 -1.011 -4.819 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -13.501 -0.163 -3.656 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -13.001 -0.316 -5.357 1.00 0.00 H new ATOM 171 N ALA A 11 -9.675 -2.299 -5.502 1.00 0.00 N ATOM 172 CA ALA A 11 -8.828 -1.949 -6.632 1.00 0.00 C ATOM 173 C ALA A 11 -9.028 -2.858 -7.845 1.00 0.00 C ATOM 174 O ALA A 11 -9.957 -3.662 -7.909 1.00 0.00 O ATOM 175 CB ALA A 11 -7.369 -1.960 -6.201 1.00 0.00 C ATOM 0 H ALA A 11 -9.534 -3.241 -5.136 1.00 0.00 H new ATOM 0 HA ALA A 11 -9.120 -0.948 -6.949 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -6.737 -1.698 -7.049 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -7.221 -1.236 -5.400 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -7.103 -2.955 -5.844 1.00 0.00 H new ATOM 181 N GLU A 12 -8.123 -2.690 -8.805 1.00 0.00 N ATOM 182 CA GLU A 12 -8.116 -3.437 -10.058 1.00 0.00 C ATOM 183 C GLU A 12 -7.468 -4.808 -9.894 1.00 0.00 C ATOM 184 O GLU A 12 -6.994 -5.164 -8.816 1.00 0.00 O ATOM 185 CB GLU A 12 -7.392 -2.645 -11.150 1.00 0.00 C ATOM 186 CG GLU A 12 -8.087 -1.344 -11.518 1.00 0.00 C ATOM 187 CD GLU A 12 -7.436 -0.651 -12.700 1.00 0.00 C ATOM 188 OE1 GLU A 12 -6.703 -1.325 -13.454 1.00 0.00 O ATOM 189 OE2 GLU A 12 -7.657 0.566 -12.870 1.00 0.00 O ATOM 0 H GLU A 12 -7.359 -2.018 -8.732 1.00 0.00 H new ATOM 0 HA GLU A 12 -9.154 -3.589 -10.352 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -6.378 -2.424 -10.816 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -7.306 -3.266 -12.041 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -9.132 -1.548 -11.751 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -8.077 -0.675 -10.658 1.00 0.00 H new ATOM 196 N ARG A 13 -7.483 -5.577 -10.975 1.00 0.00 N ATOM 197 CA ARG A 13 -6.933 -6.925 -10.985 1.00 0.00 C ATOM 198 C ARG A 13 -5.423 -6.889 -11.202 1.00 0.00 C ATOM 199 O ARG A 13 -4.767 -5.912 -10.839 1.00 0.00 O ATOM 200 CB ARG A 13 -7.613 -7.771 -12.070 1.00 0.00 C ATOM 201 CG ARG A 13 -7.107 -7.525 -13.490 1.00 0.00 C ATOM 202 CD ARG A 13 -7.064 -6.045 -13.832 1.00 0.00 C ATOM 203 NE ARG A 13 -6.616 -5.814 -15.203 1.00 0.00 N ATOM 204 CZ ARG A 13 -6.306 -4.615 -15.691 1.00 0.00 C ATOM 205 NH1 ARG A 13 -6.388 -3.538 -14.921 1.00 0.00 N ATOM 206 NH2 ARG A 13 -5.911 -4.494 -16.950 1.00 0.00 N ATOM 0 H ARG A 13 -7.877 -5.283 -11.869 1.00 0.00 H new ATOM 0 HA ARG A 13 -7.127 -7.383 -10.015 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.475 -8.825 -11.828 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.685 -7.576 -12.043 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.109 -7.951 -13.598 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -7.753 -8.042 -14.199 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -8.055 -5.612 -13.697 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -6.395 -5.532 -13.141 1.00 0.00 H new ATOM 0 HE ARG A 13 -6.536 -6.620 -15.823 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -6.690 -3.627 -13.951 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -6.149 -2.621 -15.299 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -5.845 -5.320 -17.545 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.673 -3.575 -17.324 1.00 0.00 H new ATOM 220 N GLU A 14 -4.860 -7.968 -11.738 1.00 0.00 N ATOM 221 CA GLU A 14 -3.420 -8.045 -11.925 1.00 0.00 C ATOM 222 C GLU A 14 -2.904 -6.805 -12.637 1.00 0.00 C ATOM 223 O GLU A 14 -3.096 -6.612 -13.837 1.00 0.00 O ATOM 224 CB GLU A 14 -3.057 -9.298 -12.723 1.00 0.00 C ATOM 225 CG GLU A 14 -3.539 -10.586 -12.078 1.00 0.00 C ATOM 226 CD GLU A 14 -2.643 -11.037 -10.941 1.00 0.00 C ATOM 227 OE1 GLU A 14 -2.530 -10.293 -9.944 1.00 0.00 O ATOM 228 OE2 GLU A 14 -2.053 -12.132 -11.048 1.00 0.00 O ATOM 0 H GLU A 14 -5.375 -8.792 -12.047 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.949 -8.101 -10.944 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.484 -9.219 -13.723 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -1.974 -9.343 -12.842 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.552 -10.444 -11.703 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.586 -11.371 -12.833 1.00 0.00 H new ATOM 235 N ASP A 15 -2.260 -5.969 -11.832 1.00 0.00 N ATOM 236 CA ASP A 15 -1.683 -4.695 -12.248 1.00 0.00 C ATOM 237 C ASP A 15 -1.620 -3.798 -11.021 1.00 0.00 C ATOM 238 O ASP A 15 -0.563 -3.296 -10.641 1.00 0.00 O ATOM 239 CB ASP A 15 -2.519 -4.029 -13.351 1.00 0.00 C ATOM 240 CG ASP A 15 -2.075 -2.607 -13.643 1.00 0.00 C ATOM 241 OD1 ASP A 15 -0.944 -2.246 -13.255 1.00 0.00 O ATOM 242 OD2 ASP A 15 -2.860 -1.855 -14.259 1.00 0.00 O ATOM 0 H ASP A 15 -2.120 -6.164 -10.841 1.00 0.00 H new ATOM 0 HA ASP A 15 -0.688 -4.861 -12.662 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -2.449 -4.622 -14.263 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -3.568 -4.024 -13.054 1.00 0.00 H new ATOM 247 N GLU A 16 -2.777 -3.651 -10.389 1.00 0.00 N ATOM 248 CA GLU A 16 -2.916 -2.869 -9.170 1.00 0.00 C ATOM 249 C GLU A 16 -3.622 -3.717 -8.115 1.00 0.00 C ATOM 250 O GLU A 16 -4.399 -4.609 -8.456 1.00 0.00 O ATOM 251 CB GLU A 16 -3.657 -1.553 -9.447 1.00 0.00 C ATOM 252 CG GLU A 16 -5.066 -1.495 -8.902 1.00 0.00 C ATOM 253 CD GLU A 16 -5.871 -0.357 -9.497 1.00 0.00 C ATOM 254 OE1 GLU A 16 -5.636 -0.014 -10.675 1.00 0.00 O ATOM 255 OE2 GLU A 16 -6.738 0.193 -8.785 1.00 0.00 O ATOM 0 H GLU A 16 -3.648 -4.073 -10.710 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.931 -2.596 -8.791 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.082 -0.731 -9.019 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.692 -1.391 -10.524 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -5.571 -2.439 -9.107 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.029 -1.382 -7.818 1.00 0.00 H new ATOM 262 N LEU A 17 -3.329 -3.474 -6.843 1.00 0.00 N ATOM 263 CA LEU A 17 -3.931 -4.273 -5.780 1.00 0.00 C ATOM 264 C LEU A 17 -4.727 -3.434 -4.777 1.00 0.00 C ATOM 265 O LEU A 17 -4.430 -2.264 -4.535 1.00 0.00 O ATOM 266 CB LEU A 17 -2.863 -5.103 -5.052 1.00 0.00 C ATOM 267 CG LEU A 17 -1.404 -4.839 -5.447 1.00 0.00 C ATOM 268 CD1 LEU A 17 -1.182 -5.125 -6.926 1.00 0.00 C ATOM 269 CD2 LEU A 17 -0.999 -3.411 -5.102 1.00 0.00 C ATOM 0 H LEU A 17 -2.691 -2.745 -6.525 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.641 -4.944 -6.264 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.964 -4.925 -3.981 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.077 -6.158 -5.222 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.771 -5.517 -4.875 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.140 -4.931 -7.182 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.418 -6.169 -7.134 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.828 -4.481 -7.522 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.039 -3.247 -5.391 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.640 -2.711 -5.639 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.106 -3.252 -4.029 1.00 0.00 H new ATOM 281 N SER A 18 -5.744 -4.077 -4.203 1.00 0.00 N ATOM 282 CA SER A 18 -6.631 -3.466 -3.215 1.00 0.00 C ATOM 283 C SER A 18 -5.915 -3.239 -1.884 1.00 0.00 C ATOM 284 O SER A 18 -4.990 -3.970 -1.531 1.00 0.00 O ATOM 285 CB SER A 18 -7.873 -4.335 -3.008 1.00 0.00 C ATOM 286 OG SER A 18 -7.668 -5.291 -1.982 1.00 0.00 O ATOM 0 H SER A 18 -5.977 -5.047 -4.414 1.00 0.00 H new ATOM 0 HA SER A 18 -6.937 -2.493 -3.599 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.724 -3.703 -2.754 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.122 -4.845 -3.939 1.00 0.00 H new ATOM 0 HG SER A 18 -8.478 -5.831 -1.871 1.00 0.00 H new ATOM 292 N LEU A 19 -6.340 -2.205 -1.159 1.00 0.00 N ATOM 293 CA LEU A 19 -5.727 -1.866 0.126 1.00 0.00 C ATOM 294 C LEU A 19 -6.477 -2.513 1.289 1.00 0.00 C ATOM 295 O LEU A 19 -7.680 -2.763 1.212 1.00 0.00 O ATOM 296 CB LEU A 19 -5.682 -0.342 0.329 1.00 0.00 C ATOM 297 CG LEU A 19 -6.501 0.490 -0.663 1.00 0.00 C ATOM 298 CD1 LEU A 19 -6.585 1.938 -0.202 1.00 0.00 C ATOM 299 CD2 LEU A 19 -5.893 0.405 -2.057 1.00 0.00 C ATOM 0 H LEU A 19 -7.104 -1.589 -1.438 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.709 -2.254 0.108 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.032 -0.119 1.337 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.643 -0.018 0.274 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.512 0.084 -0.704 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.170 2.515 -0.918 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.064 1.981 0.776 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.581 2.357 -0.133 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.487 1.001 -2.750 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.872 0.786 -2.033 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.885 -0.634 -2.388 1.00 0.00 H new ATOM 311 N VAL A 20 -5.741 -2.796 2.364 1.00 0.00 N ATOM 312 CA VAL A 20 -6.303 -3.434 3.554 1.00 0.00 C ATOM 313 C VAL A 20 -7.256 -2.510 4.306 1.00 0.00 C ATOM 314 O VAL A 20 -7.224 -1.293 4.134 1.00 0.00 O ATOM 315 CB VAL A 20 -5.197 -3.877 4.529 1.00 0.00 C ATOM 316 CG1 VAL A 20 -5.743 -4.889 5.522 1.00 0.00 C ATOM 317 CG2 VAL A 20 -4.001 -4.447 3.781 1.00 0.00 C ATOM 0 H VAL A 20 -4.744 -2.591 2.434 1.00 0.00 H new ATOM 0 HA VAL A 20 -6.854 -4.303 3.194 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.857 -2.999 5.078 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -4.950 -5.193 6.205 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.558 -4.439 6.089 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -6.114 -5.762 4.985 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.236 -4.751 4.496 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.316 -5.311 3.196 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.593 -3.687 3.114 1.00 0.00 H new ATOM 327 N LYS A 21 -8.099 -3.107 5.150 1.00 0.00 N ATOM 328 CA LYS A 21 -9.064 -2.350 5.942 1.00 0.00 C ATOM 329 C LYS A 21 -8.523 -2.059 7.338 1.00 0.00 C ATOM 330 O LYS A 21 -8.732 -0.974 7.880 1.00 0.00 O ATOM 331 CB LYS A 21 -10.396 -3.107 6.060 1.00 0.00 C ATOM 332 CG LYS A 21 -10.611 -4.187 5.007 1.00 0.00 C ATOM 333 CD LYS A 21 -10.498 -5.584 5.602 1.00 0.00 C ATOM 334 CE LYS A 21 -9.484 -6.431 4.849 1.00 0.00 C ATOM 335 NZ LYS A 21 -10.116 -7.206 3.746 1.00 0.00 N ATOM 0 H LYS A 21 -8.131 -4.115 5.301 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.235 -1.406 5.425 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.451 -3.565 7.047 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.213 -2.389 5.996 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.595 -4.063 4.554 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -9.876 -4.070 4.210 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.206 -5.512 6.650 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -11.472 -6.072 5.575 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.706 -5.787 4.440 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.998 -7.117 5.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.391 -7.770 3.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.841 -7.840 4.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.558 -6.551 3.070 1.00 0.00 H new ATOM 349 N GLY A 22 -7.832 -3.035 7.920 1.00 0.00 N ATOM 350 CA GLY A 22 -7.282 -2.859 9.248 1.00 0.00 C ATOM 351 C GLY A 22 -6.151 -3.817 9.544 1.00 0.00 C ATOM 352 O GLY A 22 -6.244 -4.644 10.452 1.00 0.00 O ATOM 0 H GLY A 22 -7.644 -3.943 7.494 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.923 -1.835 9.355 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -8.073 -2.998 9.985 1.00 0.00 H new ATOM 356 N SER A 23 -5.082 -3.695 8.779 1.00 0.00 N ATOM 357 CA SER A 23 -3.911 -4.540 8.948 1.00 0.00 C ATOM 358 C SER A 23 -2.642 -3.789 8.553 1.00 0.00 C ATOM 359 O SER A 23 -2.703 -2.648 8.096 1.00 0.00 O ATOM 360 CB SER A 23 -4.048 -5.820 8.128 1.00 0.00 C ATOM 361 OG SER A 23 -3.876 -6.968 8.941 1.00 0.00 O ATOM 0 H SER A 23 -4.999 -3.012 8.026 1.00 0.00 H new ATOM 0 HA SER A 23 -3.837 -4.811 10.001 1.00 0.00 H new ATOM 0 HB2 SER A 23 -5.030 -5.849 7.655 1.00 0.00 H new ATOM 0 HB3 SER A 23 -3.308 -5.824 7.327 1.00 0.00 H new ATOM 0 HG SER A 23 -3.970 -7.775 8.392 1.00 0.00 H new ATOM 367 N ARG A 24 -1.494 -4.430 8.742 1.00 0.00 N ATOM 368 CA ARG A 24 -0.216 -3.814 8.416 1.00 0.00 C ATOM 369 C ARG A 24 0.293 -4.268 7.049 1.00 0.00 C ATOM 370 O ARG A 24 0.037 -5.390 6.615 1.00 0.00 O ATOM 371 CB ARG A 24 0.807 -4.134 9.496 1.00 0.00 C ATOM 372 CG ARG A 24 0.750 -3.190 10.685 1.00 0.00 C ATOM 373 CD ARG A 24 1.945 -2.255 10.711 1.00 0.00 C ATOM 374 NE ARG A 24 1.823 -1.229 11.742 1.00 0.00 N ATOM 375 CZ ARG A 24 1.968 -1.466 13.045 1.00 0.00 C ATOM 376 NH1 ARG A 24 2.239 -2.691 13.478 1.00 0.00 N ATOM 377 NH2 ARG A 24 1.843 -0.474 13.917 1.00 0.00 N ATOM 0 H ARG A 24 -1.424 -5.375 9.119 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.364 -2.735 8.371 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.648 -5.154 9.845 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.806 -4.098 9.061 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.169 -2.606 10.643 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.719 -3.768 11.609 1.00 0.00 H new ATOM 0 HD2 ARG A 24 2.853 -2.834 10.883 1.00 0.00 H new ATOM 0 HD3 ARG A 24 2.051 -1.777 9.737 1.00 0.00 H new ATOM 0 HE ARG A 24 1.615 -0.275 11.448 1.00 0.00 H new ATOM 0 HH11 ARG A 24 2.337 -3.457 12.812 1.00 0.00 H new ATOM 0 HH12 ARG A 24 2.349 -2.866 14.477 1.00 0.00 H new ATOM 0 HH21 ARG A 24 1.636 0.470 13.590 1.00 0.00 H new ATOM 0 HH22 ARG A 24 1.954 -0.655 14.915 1.00 0.00 H new ATOM 391 N VAL A 25 1.010 -3.372 6.382 1.00 0.00 N ATOM 392 CA VAL A 25 1.566 -3.636 5.058 1.00 0.00 C ATOM 393 C VAL A 25 3.065 -3.353 5.048 1.00 0.00 C ATOM 394 O VAL A 25 3.586 -2.738 5.972 1.00 0.00 O ATOM 395 CB VAL A 25 0.876 -2.776 3.980 1.00 0.00 C ATOM 396 CG1 VAL A 25 1.299 -3.215 2.586 1.00 0.00 C ATOM 397 CG2 VAL A 25 -0.635 -2.848 4.128 1.00 0.00 C ATOM 0 H VAL A 25 1.223 -2.442 6.742 1.00 0.00 H new ATOM 0 HA VAL A 25 1.390 -4.687 4.829 1.00 0.00 H new ATOM 0 HB VAL A 25 1.187 -1.741 4.119 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.800 -2.594 1.842 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.379 -3.108 2.483 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.022 -4.258 2.433 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.106 -2.235 3.359 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -0.962 -3.882 4.019 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.922 -2.479 5.112 1.00 0.00 H new ATOM 407 N THR A 26 3.761 -3.803 4.009 1.00 0.00 N ATOM 408 CA THR A 26 5.197 -3.583 3.911 1.00 0.00 C ATOM 409 C THR A 26 5.474 -2.171 3.402 1.00 0.00 C ATOM 410 O THR A 26 4.765 -1.668 2.531 1.00 0.00 O ATOM 411 CB THR A 26 5.842 -4.612 2.988 1.00 0.00 C ATOM 412 OG1 THR A 26 5.630 -4.249 1.647 1.00 0.00 O ATOM 413 CG2 THR A 26 5.308 -6.015 3.181 1.00 0.00 C ATOM 0 H THR A 26 3.356 -4.319 3.228 1.00 0.00 H new ATOM 0 HA THR A 26 5.632 -3.696 4.904 1.00 0.00 H new ATOM 0 HB THR A 26 6.902 -4.619 3.242 1.00 0.00 H new ATOM 0 HG1 THR A 26 4.735 -3.861 1.551 1.00 0.00 H new ATOM 0 HG21 THR A 26 5.811 -6.694 2.492 1.00 0.00 H new ATOM 0 HG22 THR A 26 5.492 -6.336 4.206 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.236 -6.027 2.984 1.00 0.00 H new ATOM 421 N VAL A 27 6.481 -1.519 3.977 1.00 0.00 N ATOM 422 CA VAL A 27 6.810 -0.147 3.607 1.00 0.00 C ATOM 423 C VAL A 27 7.028 -0.014 2.102 1.00 0.00 C ATOM 424 O VAL A 27 7.787 -0.767 1.493 1.00 0.00 O ATOM 425 CB VAL A 27 8.073 0.342 4.343 1.00 0.00 C ATOM 426 CG1 VAL A 27 9.258 -0.557 4.025 1.00 0.00 C ATOM 427 CG2 VAL A 27 8.382 1.791 3.986 1.00 0.00 C ATOM 0 H VAL A 27 7.081 -1.918 4.699 1.00 0.00 H new ATOM 0 HA VAL A 27 5.961 0.471 3.901 1.00 0.00 H new ATOM 0 HB VAL A 27 7.884 0.292 5.415 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.140 -0.196 4.553 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.037 -1.576 4.342 1.00 0.00 H new ATOM 0 HG13 VAL A 27 9.447 -0.544 2.952 1.00 0.00 H new ATOM 0 HG21 VAL A 27 9.277 2.114 4.517 1.00 0.00 H new ATOM 0 HG22 VAL A 27 8.548 1.874 2.912 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.542 2.424 4.273 1.00 0.00 H new ATOM 437 N MET A 28 6.322 0.951 1.520 1.00 0.00 N ATOM 438 CA MET A 28 6.380 1.211 0.087 1.00 0.00 C ATOM 439 C MET A 28 7.764 1.671 -0.354 1.00 0.00 C ATOM 440 O MET A 28 8.705 1.720 0.438 1.00 0.00 O ATOM 441 CB MET A 28 5.344 2.270 -0.300 1.00 0.00 C ATOM 442 CG MET A 28 3.977 2.052 0.330 1.00 0.00 C ATOM 443 SD MET A 28 3.071 0.680 -0.405 1.00 0.00 S ATOM 444 CE MET A 28 2.958 1.215 -2.110 1.00 0.00 C ATOM 0 H MET A 28 5.694 1.574 2.029 1.00 0.00 H new ATOM 0 HA MET A 28 6.159 0.272 -0.421 1.00 0.00 H new ATOM 0 HB2 MET A 28 5.716 3.252 -0.008 1.00 0.00 H new ATOM 0 HB3 MET A 28 5.236 2.280 -1.385 1.00 0.00 H new ATOM 0 HG2 MET A 28 4.101 1.868 1.397 1.00 0.00 H new ATOM 0 HG3 MET A 28 3.388 2.964 0.230 1.00 0.00 H new ATOM 0 HE1 MET A 28 2.862 0.344 -2.759 1.00 0.00 H new ATOM 0 HE2 MET A 28 2.086 1.857 -2.233 1.00 0.00 H new ATOM 0 HE3 MET A 28 3.857 1.770 -2.378 1.00 0.00 H new ATOM 454 N GLU A 29 7.867 2.003 -1.636 1.00 0.00 N ATOM 455 CA GLU A 29 9.116 2.461 -2.225 1.00 0.00 C ATOM 456 C GLU A 29 9.075 3.966 -2.472 1.00 0.00 C ATOM 457 O GLU A 29 7.999 4.557 -2.559 1.00 0.00 O ATOM 458 CB GLU A 29 9.364 1.713 -3.545 1.00 0.00 C ATOM 459 CG GLU A 29 8.790 2.405 -4.778 1.00 0.00 C ATOM 460 CD GLU A 29 9.854 3.087 -5.615 1.00 0.00 C ATOM 461 OE1 GLU A 29 10.962 2.524 -5.742 1.00 0.00 O ATOM 462 OE2 GLU A 29 9.581 4.184 -6.144 1.00 0.00 O ATOM 0 H GLU A 29 7.088 1.962 -2.293 1.00 0.00 H new ATOM 0 HA GLU A 29 9.931 2.253 -1.532 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.438 1.587 -3.681 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.933 0.715 -3.470 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.267 1.671 -5.391 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.052 3.143 -4.465 1.00 0.00 H new ATOM 469 N LYS A 30 10.243 4.580 -2.610 1.00 0.00 N ATOM 470 CA LYS A 30 10.314 6.005 -2.876 1.00 0.00 C ATOM 471 C LYS A 30 10.212 6.252 -4.377 1.00 0.00 C ATOM 472 O LYS A 30 11.201 6.150 -5.103 1.00 0.00 O ATOM 473 CB LYS A 30 11.612 6.595 -2.323 1.00 0.00 C ATOM 474 CG LYS A 30 11.419 7.375 -1.032 1.00 0.00 C ATOM 475 CD LYS A 30 12.644 7.285 -0.136 1.00 0.00 C ATOM 476 CE LYS A 30 12.587 8.311 0.985 1.00 0.00 C ATOM 477 NZ LYS A 30 12.171 9.653 0.491 1.00 0.00 N ATOM 0 H LYS A 30 11.148 4.114 -2.542 1.00 0.00 H new ATOM 0 HA LYS A 30 9.481 6.499 -2.376 1.00 0.00 H new ATOM 0 HB2 LYS A 30 12.324 5.788 -2.148 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.052 7.252 -3.073 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.214 8.420 -1.265 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.549 6.990 -0.500 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.714 6.283 0.288 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.544 7.443 -0.730 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.888 7.974 1.750 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.566 8.386 1.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.431 10.377 1.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.649 9.855 -0.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.141 9.666 0.347 1.00 0.00 H new ATOM 491 N CYS A 31 9.004 6.556 -4.835 1.00 0.00 N ATOM 492 CA CYS A 31 8.761 6.796 -6.252 1.00 0.00 C ATOM 493 C CYS A 31 8.538 8.278 -6.534 1.00 0.00 C ATOM 494 O CYS A 31 8.166 9.042 -5.645 1.00 0.00 O ATOM 495 CB CYS A 31 7.548 5.989 -6.721 1.00 0.00 C ATOM 496 SG CYS A 31 7.766 5.198 -8.333 1.00 0.00 S ATOM 0 H CYS A 31 8.176 6.642 -4.245 1.00 0.00 H new ATOM 0 HA CYS A 31 9.645 6.475 -6.803 1.00 0.00 H new ATOM 0 HB2 CYS A 31 7.326 5.222 -5.979 1.00 0.00 H new ATOM 0 HB3 CYS A 31 6.682 6.649 -6.766 1.00 0.00 H new ATOM 0 HG CYS A 31 8.719 4.316 -8.259 1.00 0.00 H new ATOM 502 N SER A 32 8.760 8.673 -7.784 1.00 0.00 N ATOM 503 CA SER A 32 8.576 10.060 -8.191 1.00 0.00 C ATOM 504 C SER A 32 7.121 10.320 -8.572 1.00 0.00 C ATOM 505 O SER A 32 6.629 11.441 -8.455 1.00 0.00 O ATOM 506 CB SER A 32 9.491 10.395 -9.371 1.00 0.00 C ATOM 507 OG SER A 32 9.146 11.643 -9.946 1.00 0.00 O ATOM 0 H SER A 32 9.068 8.051 -8.532 1.00 0.00 H new ATOM 0 HA SER A 32 8.836 10.700 -7.348 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.528 10.420 -9.036 1.00 0.00 H new ATOM 0 HB3 SER A 32 9.419 9.611 -10.125 1.00 0.00 H new ATOM 0 HG SER A 32 9.746 11.834 -10.697 1.00 0.00 H new ATOM 513 N ASP A 33 6.438 9.273 -9.027 1.00 0.00 N ATOM 514 CA ASP A 33 5.040 9.385 -9.424 1.00 0.00 C ATOM 515 C ASP A 33 4.117 8.930 -8.296 1.00 0.00 C ATOM 516 O ASP A 33 4.555 8.281 -7.346 1.00 0.00 O ATOM 517 CB ASP A 33 4.776 8.551 -10.678 1.00 0.00 C ATOM 518 CG ASP A 33 5.371 9.177 -11.925 1.00 0.00 C ATOM 519 OD1 ASP A 33 5.272 10.414 -12.073 1.00 0.00 O ATOM 520 OD2 ASP A 33 5.935 8.431 -12.751 1.00 0.00 O ATOM 0 H ASP A 33 6.831 8.338 -9.129 1.00 0.00 H new ATOM 0 HA ASP A 33 4.833 10.433 -9.641 1.00 0.00 H new ATOM 0 HB2 ASP A 33 5.193 7.553 -10.542 1.00 0.00 H new ATOM 0 HB3 ASP A 33 3.701 8.432 -10.812 1.00 0.00 H new ATOM 525 N GLY A 34 2.838 9.276 -8.410 1.00 0.00 N ATOM 526 CA GLY A 34 1.874 8.894 -7.395 1.00 0.00 C ATOM 527 C GLY A 34 1.790 7.391 -7.205 1.00 0.00 C ATOM 528 O GLY A 34 1.317 6.918 -6.172 1.00 0.00 O ATOM 0 H GLY A 34 2.453 9.814 -9.187 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.145 9.361 -6.448 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.891 9.277 -7.670 1.00 0.00 H new ATOM 532 N TRP A 35 2.248 6.638 -8.201 1.00 0.00 N ATOM 533 CA TRP A 35 2.221 5.181 -8.133 1.00 0.00 C ATOM 534 C TRP A 35 3.385 4.657 -7.299 1.00 0.00 C ATOM 535 O TRP A 35 4.479 4.427 -7.816 1.00 0.00 O ATOM 536 CB TRP A 35 2.277 4.577 -9.538 1.00 0.00 C ATOM 537 CG TRP A 35 1.480 5.339 -10.555 1.00 0.00 C ATOM 538 CD1 TRP A 35 0.218 5.838 -10.403 1.00 0.00 C ATOM 539 CD2 TRP A 35 1.893 5.688 -11.881 1.00 0.00 C ATOM 540 NE1 TRP A 35 -0.180 6.474 -11.554 1.00 0.00 N ATOM 541 CE2 TRP A 35 0.831 6.396 -12.477 1.00 0.00 C ATOM 542 CE3 TRP A 35 3.057 5.470 -12.623 1.00 0.00 C ATOM 543 CZ2 TRP A 35 0.902 6.886 -13.778 1.00 0.00 C ATOM 544 CZ3 TRP A 35 3.125 5.957 -13.915 1.00 0.00 C ATOM 545 CH2 TRP A 35 2.054 6.659 -14.480 1.00 0.00 C ATOM 0 H TRP A 35 2.642 7.013 -9.064 1.00 0.00 H new ATOM 0 HA TRP A 35 1.287 4.884 -7.656 1.00 0.00 H new ATOM 0 HB2 TRP A 35 3.316 4.532 -9.863 1.00 0.00 H new ATOM 0 HB3 TRP A 35 1.911 3.551 -9.497 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -0.380 5.746 -9.508 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -1.081 6.930 -11.698 1.00 0.00 H new ATOM 0 HE3 TRP A 35 3.889 4.931 -12.195 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 0.077 7.426 -14.218 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 4.019 5.793 -14.498 1.00 0.00 H new ATOM 0 HH2 TRP A 35 2.139 7.029 -15.491 1.00 0.00 H new ATOM 556 N TRP A 36 3.147 4.477 -6.003 1.00 0.00 N ATOM 557 CA TRP A 36 4.177 3.987 -5.100 1.00 0.00 C ATOM 558 C TRP A 36 4.164 2.466 -5.014 1.00 0.00 C ATOM 559 O TRP A 36 3.123 1.856 -4.766 1.00 0.00 O ATOM 560 CB TRP A 36 3.986 4.580 -3.704 1.00 0.00 C ATOM 561 CG TRP A 36 4.527 5.971 -3.569 1.00 0.00 C ATOM 562 CD1 TRP A 36 5.828 6.354 -3.690 1.00 0.00 C ATOM 563 CD2 TRP A 36 3.781 7.159 -3.282 1.00 0.00 C ATOM 564 NE1 TRP A 36 5.941 7.710 -3.497 1.00 0.00 N ATOM 565 CE2 TRP A 36 4.697 8.227 -3.245 1.00 0.00 C ATOM 566 CE3 TRP A 36 2.427 7.425 -3.054 1.00 0.00 C ATOM 567 CZ2 TRP A 36 4.304 9.539 -2.990 1.00 0.00 C ATOM 568 CZ3 TRP A 36 2.037 8.727 -2.801 1.00 0.00 C ATOM 569 CH2 TRP A 36 2.972 9.770 -2.771 1.00 0.00 C ATOM 0 H TRP A 36 2.249 4.664 -5.557 1.00 0.00 H new ATOM 0 HA TRP A 36 5.141 4.301 -5.500 1.00 0.00 H new ATOM 0 HB2 TRP A 36 2.923 4.586 -3.462 1.00 0.00 H new ATOM 0 HB3 TRP A 36 4.475 3.935 -2.974 1.00 0.00 H new ATOM 0 HD1 TRP A 36 6.651 5.689 -3.906 1.00 0.00 H new ATOM 0 HE1 TRP A 36 6.809 8.244 -3.535 1.00 0.00 H new ATOM 0 HE3 TRP A 36 1.699 6.627 -3.075 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 5.023 10.344 -2.966 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 0.994 8.944 -2.623 1.00 0.00 H new ATOM 0 HH2 TRP A 36 2.635 10.777 -2.571 1.00 0.00 H new ATOM 580 N ARG A 37 5.330 1.860 -5.211 1.00 0.00 N ATOM 581 CA ARG A 37 5.455 0.410 -5.145 1.00 0.00 C ATOM 582 C ARG A 37 5.563 -0.049 -3.696 1.00 0.00 C ATOM 583 O ARG A 37 6.068 0.676 -2.841 1.00 0.00 O ATOM 584 CB ARG A 37 6.669 -0.072 -5.936 1.00 0.00 C ATOM 585 CG ARG A 37 6.452 -1.413 -6.619 1.00 0.00 C ATOM 586 CD ARG A 37 6.464 -1.283 -8.135 1.00 0.00 C ATOM 587 NE ARG A 37 7.344 -2.269 -8.759 1.00 0.00 N ATOM 588 CZ ARG A 37 7.133 -3.583 -8.714 1.00 0.00 C ATOM 589 NH1 ARG A 37 6.078 -4.071 -8.076 1.00 0.00 N ATOM 590 NH2 ARG A 37 7.982 -4.411 -9.308 1.00 0.00 N ATOM 0 H ARG A 37 6.200 2.350 -5.417 1.00 0.00 H new ATOM 0 HA ARG A 37 4.560 -0.024 -5.590 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.922 0.674 -6.689 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.524 -0.149 -5.264 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.230 -2.110 -6.308 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.500 -1.835 -6.298 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.451 -1.406 -8.518 1.00 0.00 H new ATOM 0 HD3 ARG A 37 6.789 -0.280 -8.411 1.00 0.00 H new ATOM 0 HE ARG A 37 8.167 -1.931 -9.258 1.00 0.00 H new ATOM 0 HH11 ARG A 37 5.423 -3.439 -7.616 1.00 0.00 H new ATOM 0 HH12 ARG A 37 5.922 -5.078 -8.045 1.00 0.00 H new ATOM 0 HH21 ARG A 37 8.796 -4.041 -9.799 1.00 0.00 H new ATOM 0 HH22 ARG A 37 7.821 -5.418 -9.274 1.00 0.00 H new ATOM 604 N GLY A 38 5.077 -1.251 -3.426 1.00 0.00 N ATOM 605 CA GLY A 38 5.119 -1.784 -2.077 1.00 0.00 C ATOM 606 C GLY A 38 4.766 -3.256 -2.023 1.00 0.00 C ATOM 607 O GLY A 38 4.426 -3.859 -3.041 1.00 0.00 O ATOM 0 H GLY A 38 4.653 -1.869 -4.117 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.117 -1.638 -1.663 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.427 -1.225 -1.447 1.00 0.00 H new ATOM 611 N SER A 39 4.847 -3.836 -0.830 1.00 0.00 N ATOM 612 CA SER A 39 4.532 -5.248 -0.647 1.00 0.00 C ATOM 613 C SER A 39 3.466 -5.448 0.423 1.00 0.00 C ATOM 614 O SER A 39 3.271 -4.603 1.296 1.00 0.00 O ATOM 615 CB SER A 39 5.792 -6.043 -0.294 1.00 0.00 C ATOM 616 OG SER A 39 6.963 -5.289 -0.555 1.00 0.00 O ATOM 0 H SER A 39 5.127 -3.351 0.023 1.00 0.00 H new ATOM 0 HA SER A 39 4.135 -5.620 -1.592 1.00 0.00 H new ATOM 0 HB2 SER A 39 5.765 -6.325 0.759 1.00 0.00 H new ATOM 0 HB3 SER A 39 5.815 -6.968 -0.871 1.00 0.00 H new ATOM 0 HG SER A 39 7.048 -4.575 0.111 1.00 0.00 H new ATOM 622 N TYR A 40 2.775 -6.576 0.334 1.00 0.00 N ATOM 623 CA TYR A 40 1.717 -6.911 1.274 1.00 0.00 C ATOM 624 C TYR A 40 1.633 -8.426 1.444 1.00 0.00 C ATOM 625 O TYR A 40 1.875 -9.177 0.500 1.00 0.00 O ATOM 626 CB TYR A 40 0.379 -6.338 0.785 1.00 0.00 C ATOM 627 CG TYR A 40 -0.833 -7.160 1.169 1.00 0.00 C ATOM 628 CD1 TYR A 40 -1.223 -8.253 0.406 1.00 0.00 C ATOM 629 CD2 TYR A 40 -1.585 -6.842 2.292 1.00 0.00 C ATOM 630 CE1 TYR A 40 -2.328 -9.006 0.751 1.00 0.00 C ATOM 631 CE2 TYR A 40 -2.692 -7.591 2.645 1.00 0.00 C ATOM 632 CZ TYR A 40 -3.059 -8.671 1.871 1.00 0.00 C ATOM 633 OH TYR A 40 -4.160 -9.420 2.218 1.00 0.00 O ATOM 0 H TYR A 40 2.931 -7.280 -0.387 1.00 0.00 H new ATOM 0 HA TYR A 40 1.943 -6.469 2.244 1.00 0.00 H new ATOM 0 HB2 TYR A 40 0.261 -5.331 1.185 1.00 0.00 H new ATOM 0 HB3 TYR A 40 0.412 -6.247 -0.301 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -0.653 -8.518 -0.472 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -1.300 -5.996 2.900 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -2.618 -9.853 0.147 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -3.266 -7.331 3.522 1.00 0.00 H new ATOM 0 HH TYR A 40 -4.562 -9.052 3.032 1.00 0.00 H new ATOM 643 N ASN A 41 1.301 -8.869 2.653 1.00 0.00 N ATOM 644 CA ASN A 41 1.197 -10.296 2.934 1.00 0.00 C ATOM 645 C ASN A 41 0.154 -10.946 2.032 1.00 0.00 C ATOM 646 O ASN A 41 -1.015 -11.073 2.400 1.00 0.00 O ATOM 647 CB ASN A 41 0.837 -10.528 4.397 1.00 0.00 C ATOM 648 CG ASN A 41 1.618 -9.634 5.342 1.00 0.00 C ATOM 649 OD1 ASN A 41 2.725 -9.971 5.761 1.00 0.00 O ATOM 650 ND2 ASN A 41 1.043 -8.485 5.681 1.00 0.00 N ATOM 0 H ASN A 41 1.101 -8.264 3.449 1.00 0.00 H new ATOM 0 HA ASN A 41 2.166 -10.753 2.734 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -0.230 -10.353 4.536 1.00 0.00 H new ATOM 0 HB3 ASN A 41 1.025 -11.571 4.652 1.00 0.00 H new ATOM 0 HD21 ASN A 41 1.521 -7.842 6.312 1.00 0.00 H new ATOM 0 HD22 ASN A 41 0.124 -8.246 5.310 1.00 0.00 H new ATOM 657 N GLY A 42 0.591 -11.348 0.844 1.00 0.00 N ATOM 658 CA GLY A 42 -0.297 -11.973 -0.111 1.00 0.00 C ATOM 659 C GLY A 42 0.157 -11.758 -1.540 1.00 0.00 C ATOM 660 O GLY A 42 0.068 -12.660 -2.373 1.00 0.00 O ATOM 0 H GLY A 42 1.555 -11.250 0.526 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.353 -13.042 0.094 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.303 -11.571 0.013 1.00 0.00 H new ATOM 664 N GLN A 43 0.647 -10.558 -1.817 1.00 0.00 N ATOM 665 CA GLN A 43 1.125 -10.210 -3.151 1.00 0.00 C ATOM 666 C GLN A 43 1.861 -8.871 -3.143 1.00 0.00 C ATOM 667 O GLN A 43 1.951 -8.205 -2.111 1.00 0.00 O ATOM 668 CB GLN A 43 -0.045 -10.154 -4.136 1.00 0.00 C ATOM 669 CG GLN A 43 -1.067 -9.080 -3.800 1.00 0.00 C ATOM 670 CD GLN A 43 -2.489 -9.603 -3.812 1.00 0.00 C ATOM 671 OE1 GLN A 43 -3.018 -9.973 -4.860 1.00 0.00 O ATOM 672 NE2 GLN A 43 -3.114 -9.634 -2.642 1.00 0.00 N ATOM 0 H GLN A 43 0.725 -9.805 -1.134 1.00 0.00 H new ATOM 0 HA GLN A 43 1.825 -10.983 -3.467 1.00 0.00 H new ATOM 0 HB2 GLN A 43 0.343 -9.975 -5.139 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -0.541 -11.124 -4.154 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -0.844 -8.667 -2.816 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -0.978 -8.263 -4.516 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -2.635 -9.317 -1.799 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -4.074 -9.975 -2.585 1.00 0.00 H new ATOM 681 N ILE A 44 2.385 -8.484 -4.303 1.00 0.00 N ATOM 682 CA ILE A 44 3.112 -7.228 -4.440 1.00 0.00 C ATOM 683 C ILE A 44 2.504 -6.366 -5.546 1.00 0.00 C ATOM 684 O ILE A 44 1.843 -6.876 -6.451 1.00 0.00 O ATOM 685 CB ILE A 44 4.614 -7.486 -4.729 1.00 0.00 C ATOM 686 CG1 ILE A 44 5.372 -7.648 -3.414 1.00 0.00 C ATOM 687 CG2 ILE A 44 5.231 -6.363 -5.556 1.00 0.00 C ATOM 688 CD1 ILE A 44 5.181 -9.002 -2.768 1.00 0.00 C ATOM 0 H ILE A 44 2.318 -9.026 -5.165 1.00 0.00 H new ATOM 0 HA ILE A 44 3.029 -6.691 -3.495 1.00 0.00 H new ATOM 0 HB ILE A 44 4.691 -8.404 -5.312 1.00 0.00 H new ATOM 0 HG12 ILE A 44 6.435 -7.488 -3.595 1.00 0.00 H new ATOM 0 HG13 ILE A 44 5.047 -6.874 -2.719 1.00 0.00 H new ATOM 0 HG21 ILE A 44 6.284 -6.581 -5.737 1.00 0.00 H new ATOM 0 HG22 ILE A 44 4.708 -6.283 -6.509 1.00 0.00 H new ATOM 0 HG23 ILE A 44 5.143 -5.421 -5.014 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.749 -9.045 -1.838 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.123 -9.158 -2.555 1.00 0.00 H new ATOM 0 HD13 ILE A 44 5.533 -9.781 -3.444 1.00 0.00 H new ATOM 700 N GLY A 45 2.736 -5.057 -5.469 1.00 0.00 N ATOM 701 CA GLY A 45 2.205 -4.154 -6.475 1.00 0.00 C ATOM 702 C GLY A 45 2.200 -2.703 -6.029 1.00 0.00 C ATOM 703 O GLY A 45 3.007 -2.300 -5.191 1.00 0.00 O ATOM 0 H GLY A 45 3.279 -4.608 -4.732 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.797 -4.246 -7.386 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.187 -4.455 -6.724 1.00 0.00 H new ATOM 707 N TRP A 46 1.290 -1.918 -6.600 1.00 0.00 N ATOM 708 CA TRP A 46 1.176 -0.501 -6.273 1.00 0.00 C ATOM 709 C TRP A 46 0.046 -0.257 -5.274 1.00 0.00 C ATOM 710 O TRP A 46 -1.076 -0.721 -5.468 1.00 0.00 O ATOM 711 CB TRP A 46 0.923 0.312 -7.544 1.00 0.00 C ATOM 712 CG TRP A 46 2.159 0.555 -8.356 1.00 0.00 C ATOM 713 CD1 TRP A 46 3.163 1.430 -8.070 1.00 0.00 C ATOM 714 CD2 TRP A 46 2.516 -0.081 -9.588 1.00 0.00 C ATOM 715 NE1 TRP A 46 4.127 1.379 -9.047 1.00 0.00 N ATOM 716 CE2 TRP A 46 3.754 0.458 -9.990 1.00 0.00 C ATOM 717 CE3 TRP A 46 1.914 -1.055 -10.390 1.00 0.00 C ATOM 718 CZ2 TRP A 46 4.396 0.056 -11.159 1.00 0.00 C ATOM 719 CZ3 TRP A 46 2.553 -1.452 -11.549 1.00 0.00 C ATOM 720 CH2 TRP A 46 3.783 -0.898 -11.924 1.00 0.00 C ATOM 0 H TRP A 46 0.618 -2.242 -7.295 1.00 0.00 H new ATOM 0 HA TRP A 46 2.114 -0.183 -5.818 1.00 0.00 H new ATOM 0 HB2 TRP A 46 0.191 -0.210 -8.160 1.00 0.00 H new ATOM 0 HB3 TRP A 46 0.484 1.271 -7.270 1.00 0.00 H new ATOM 0 HD1 TRP A 46 3.196 2.071 -7.201 1.00 0.00 H new ATOM 0 HE1 TRP A 46 4.981 1.936 -9.067 1.00 0.00 H new ATOM 0 HE3 TRP A 46 0.966 -1.490 -10.109 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 5.344 0.482 -11.451 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 2.096 -2.203 -12.177 1.00 0.00 H new ATOM 0 HH2 TRP A 46 4.257 -1.231 -12.836 1.00 0.00 H new ATOM 731 N PHE A 47 0.350 0.479 -4.209 1.00 0.00 N ATOM 732 CA PHE A 47 -0.645 0.788 -3.185 1.00 0.00 C ATOM 733 C PHE A 47 -0.763 2.298 -2.977 1.00 0.00 C ATOM 734 O PHE A 47 0.246 2.991 -2.845 1.00 0.00 O ATOM 735 CB PHE A 47 -0.277 0.112 -1.861 1.00 0.00 C ATOM 736 CG PHE A 47 -0.134 -1.381 -1.962 1.00 0.00 C ATOM 737 CD1 PHE A 47 -1.255 -2.197 -2.016 1.00 0.00 C ATOM 738 CD2 PHE A 47 1.119 -1.969 -1.998 1.00 0.00 C ATOM 739 CE1 PHE A 47 -1.126 -3.569 -2.106 1.00 0.00 C ATOM 740 CE2 PHE A 47 1.255 -3.341 -2.086 1.00 0.00 C ATOM 741 CZ PHE A 47 0.131 -4.143 -2.140 1.00 0.00 C ATOM 0 H PHE A 47 1.274 0.872 -4.032 1.00 0.00 H new ATOM 0 HA PHE A 47 -1.607 0.406 -3.527 1.00 0.00 H new ATOM 0 HB2 PHE A 47 0.660 0.534 -1.496 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -1.041 0.345 -1.120 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -2.240 -1.754 -1.987 1.00 0.00 H new ATOM 0 HD2 PHE A 47 2.001 -1.347 -1.957 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -2.006 -4.193 -2.150 1.00 0.00 H new ATOM 0 HE2 PHE A 47 2.239 -3.786 -2.113 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.234 -5.216 -2.209 1.00 0.00 H new ATOM 751 N PRO A 48 -1.998 2.835 -2.950 1.00 0.00 N ATOM 752 CA PRO A 48 -2.230 4.270 -2.762 1.00 0.00 C ATOM 753 C PRO A 48 -1.926 4.740 -1.342 1.00 0.00 C ATOM 754 O PRO A 48 -2.697 4.496 -0.408 1.00 0.00 O ATOM 755 CB PRO A 48 -3.721 4.453 -3.073 1.00 0.00 C ATOM 756 CG PRO A 48 -4.181 3.156 -3.652 1.00 0.00 C ATOM 757 CD PRO A 48 -3.261 2.104 -3.104 1.00 0.00 C ATOM 0 HA PRO A 48 -1.574 4.859 -3.402 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -4.281 4.698 -2.171 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -3.876 5.271 -3.776 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -5.215 2.951 -3.376 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -4.141 3.180 -4.741 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -3.619 1.707 -2.154 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -3.160 1.259 -3.785 1.00 0.00 H new ATOM 765 N SER A 49 -0.806 5.438 -1.190 1.00 0.00 N ATOM 766 CA SER A 49 -0.404 5.964 0.109 1.00 0.00 C ATOM 767 C SER A 49 -1.454 6.931 0.664 1.00 0.00 C ATOM 768 O SER A 49 -1.362 7.362 1.818 1.00 0.00 O ATOM 769 CB SER A 49 0.947 6.662 -0.002 1.00 0.00 C ATOM 770 OG SER A 49 1.114 7.633 1.018 1.00 0.00 O ATOM 0 H SER A 49 -0.161 5.653 -1.950 1.00 0.00 H new ATOM 0 HA SER A 49 -0.317 5.126 0.801 1.00 0.00 H new ATOM 0 HB2 SER A 49 1.746 5.923 0.063 1.00 0.00 H new ATOM 0 HB3 SER A 49 1.032 7.139 -0.978 1.00 0.00 H new ATOM 0 HG SER A 49 0.425 7.509 1.704 1.00 0.00 H new ATOM 776 N ASN A 50 -2.454 7.264 -0.162 1.00 0.00 N ATOM 777 CA ASN A 50 -3.515 8.179 0.228 1.00 0.00 C ATOM 778 C ASN A 50 -4.013 7.887 1.637 1.00 0.00 C ATOM 779 O ASN A 50 -4.452 8.794 2.344 1.00 0.00 O ATOM 780 CB ASN A 50 -4.663 8.081 -0.768 1.00 0.00 C ATOM 781 CG ASN A 50 -4.571 9.127 -1.856 1.00 0.00 C ATOM 782 OD1 ASN A 50 -3.936 8.913 -2.888 1.00 0.00 O ATOM 783 ND2 ASN A 50 -5.209 10.266 -1.629 1.00 0.00 N ATOM 0 H ASN A 50 -2.543 6.905 -1.113 1.00 0.00 H new ATOM 0 HA ASN A 50 -3.113 9.192 0.224 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -4.665 7.089 -1.220 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -5.610 8.192 -0.240 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -5.186 11.011 -2.325 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -5.723 10.398 -0.758 1.00 0.00 H new ATOM 790 N TYR A 51 -3.911 6.632 2.064 1.00 0.00 N ATOM 791 CA TYR A 51 -4.324 6.277 3.414 1.00 0.00 C ATOM 792 C TYR A 51 -3.464 5.144 3.951 1.00 0.00 C ATOM 793 O TYR A 51 -3.952 4.052 4.245 1.00 0.00 O ATOM 794 CB TYR A 51 -5.801 5.870 3.438 1.00 0.00 C ATOM 795 CG TYR A 51 -6.634 6.516 2.349 1.00 0.00 C ATOM 796 CD1 TYR A 51 -6.685 5.969 1.073 1.00 0.00 C ATOM 797 CD2 TYR A 51 -7.365 7.670 2.599 1.00 0.00 C ATOM 798 CE1 TYR A 51 -7.442 6.555 0.076 1.00 0.00 C ATOM 799 CE2 TYR A 51 -8.125 8.261 1.607 1.00 0.00 C ATOM 800 CZ TYR A 51 -8.160 7.700 0.348 1.00 0.00 C ATOM 801 OH TYR A 51 -8.914 8.285 -0.643 1.00 0.00 O ATOM 0 H TYR A 51 -3.553 5.858 1.505 1.00 0.00 H new ATOM 0 HA TYR A 51 -4.193 7.152 4.051 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -5.871 4.787 3.341 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -6.224 6.131 4.408 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -6.124 5.072 0.857 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -7.339 8.113 3.584 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -7.471 6.118 -0.911 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -8.689 9.158 1.817 1.00 0.00 H new ATOM 0 HH TYR A 51 -9.359 9.083 -0.288 1.00 0.00 H new ATOM 811 N VAL A 52 -2.179 5.433 4.094 1.00 0.00 N ATOM 812 CA VAL A 52 -1.222 4.475 4.618 1.00 0.00 C ATOM 813 C VAL A 52 -0.234 5.147 5.568 1.00 0.00 C ATOM 814 O VAL A 52 0.058 6.335 5.430 1.00 0.00 O ATOM 815 CB VAL A 52 -0.460 3.770 3.476 1.00 0.00 C ATOM 816 CG1 VAL A 52 -1.383 3.566 2.288 1.00 0.00 C ATOM 817 CG2 VAL A 52 0.777 4.558 3.060 1.00 0.00 C ATOM 0 H VAL A 52 -1.773 6.336 3.850 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.784 3.725 5.176 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.124 2.799 3.841 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.839 3.068 1.486 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.231 2.950 2.588 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.743 4.533 1.937 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.289 4.032 2.254 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.479 5.548 2.716 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.449 4.658 3.913 1.00 0.00 H new ATOM 827 N LEU A 53 0.303 4.381 6.508 1.00 0.00 N ATOM 828 CA LEU A 53 1.282 4.910 7.444 1.00 0.00 C ATOM 829 C LEU A 53 2.622 4.219 7.234 1.00 0.00 C ATOM 830 O LEU A 53 2.736 3.012 7.416 1.00 0.00 O ATOM 831 CB LEU A 53 0.808 4.708 8.878 1.00 0.00 C ATOM 832 CG LEU A 53 1.514 5.557 9.927 1.00 0.00 C ATOM 833 CD1 LEU A 53 1.667 6.992 9.446 1.00 0.00 C ATOM 834 CD2 LEU A 53 0.755 5.510 11.244 1.00 0.00 C ATOM 0 H LEU A 53 0.078 3.395 6.641 1.00 0.00 H new ATOM 0 HA LEU A 53 1.399 5.979 7.265 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.260 4.920 8.923 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.935 3.658 9.140 1.00 0.00 H new ATOM 0 HG LEU A 53 2.511 5.146 10.088 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.174 7.580 10.211 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.255 7.007 8.528 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.682 7.418 9.254 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.272 6.121 11.984 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.254 5.895 11.096 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.703 4.480 11.597 1.00 0.00 H new ATOM 846 N GLU A 54 3.628 4.989 6.840 1.00 0.00 N ATOM 847 CA GLU A 54 4.954 4.441 6.589 1.00 0.00 C ATOM 848 C GLU A 54 5.946 4.808 7.685 1.00 0.00 C ATOM 849 O GLU A 54 5.999 5.952 8.136 1.00 0.00 O ATOM 850 CB GLU A 54 5.472 4.926 5.235 1.00 0.00 C ATOM 851 CG GLU A 54 6.859 4.408 4.890 1.00 0.00 C ATOM 852 CD GLU A 54 7.888 5.517 4.789 1.00 0.00 C ATOM 853 OE1 GLU A 54 7.884 6.411 5.662 1.00 0.00 O ATOM 854 OE2 GLU A 54 8.698 5.491 3.838 1.00 0.00 O ATOM 0 H GLU A 54 3.551 5.995 6.687 1.00 0.00 H new ATOM 0 HA GLU A 54 4.861 3.355 6.582 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.774 4.616 4.457 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.490 6.016 5.232 1.00 0.00 H new ATOM 0 HG2 GLU A 54 7.175 3.693 5.649 1.00 0.00 H new ATOM 0 HG3 GLU A 54 6.816 3.870 3.943 1.00 0.00 H new ATOM 861 N GLU A 55 6.746 3.828 8.090 1.00 0.00 N ATOM 862 CA GLU A 55 7.758 4.031 9.111 1.00 0.00 C ATOM 863 C GLU A 55 9.149 3.876 8.505 1.00 0.00 C ATOM 864 O GLU A 55 9.503 2.806 8.010 1.00 0.00 O ATOM 865 CB GLU A 55 7.565 3.031 10.251 1.00 0.00 C ATOM 866 CG GLU A 55 6.115 2.792 10.604 1.00 0.00 C ATOM 867 CD GLU A 55 5.870 2.772 12.100 1.00 0.00 C ATOM 868 OE1 GLU A 55 6.823 2.483 12.853 1.00 0.00 O ATOM 869 OE2 GLU A 55 4.725 3.046 12.518 1.00 0.00 O ATOM 0 H GLU A 55 6.709 2.878 7.721 1.00 0.00 H new ATOM 0 HA GLU A 55 7.658 5.040 9.511 1.00 0.00 H new ATOM 0 HB2 GLU A 55 8.024 2.082 9.973 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.091 3.393 11.134 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.502 3.571 10.151 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.793 1.843 10.175 1.00 0.00 H new ATOM 876 N VAL A 56 9.931 4.951 8.532 1.00 0.00 N ATOM 877 CA VAL A 56 11.274 4.927 7.969 1.00 0.00 C ATOM 878 C VAL A 56 12.262 4.268 8.925 1.00 0.00 C ATOM 879 O VAL A 56 12.947 4.946 9.691 1.00 0.00 O ATOM 880 CB VAL A 56 11.777 6.345 7.625 1.00 0.00 C ATOM 881 CG1 VAL A 56 12.874 6.282 6.573 1.00 0.00 C ATOM 882 CG2 VAL A 56 10.630 7.227 7.152 1.00 0.00 C ATOM 0 H VAL A 56 9.658 5.846 8.937 1.00 0.00 H new ATOM 0 HA VAL A 56 11.214 4.343 7.051 1.00 0.00 H new ATOM 0 HB VAL A 56 12.193 6.787 8.530 1.00 0.00 H new ATOM 0 HG11 VAL A 56 13.216 7.291 6.343 1.00 0.00 H new ATOM 0 HG12 VAL A 56 13.709 5.693 6.953 1.00 0.00 H new ATOM 0 HG13 VAL A 56 12.484 5.816 5.668 1.00 0.00 H new ATOM 0 HG21 VAL A 56 11.009 8.221 6.916 1.00 0.00 H new ATOM 0 HG22 VAL A 56 10.178 6.790 6.262 1.00 0.00 H new ATOM 0 HG23 VAL A 56 9.880 7.302 7.940 1.00 0.00 H new ATOM 892 N ASP A 57 12.329 2.942 8.871 1.00 0.00 N ATOM 893 CA ASP A 57 13.231 2.182 9.727 1.00 0.00 C ATOM 894 C ASP A 57 14.688 2.490 9.395 1.00 0.00 C ATOM 895 O ASP A 57 14.938 3.068 8.317 1.00 0.00 O ATOM 896 CB ASP A 57 12.968 0.683 9.573 1.00 0.00 C ATOM 897 CG ASP A 57 13.776 -0.151 10.548 1.00 0.00 C ATOM 898 OD1 ASP A 57 14.288 0.418 11.535 1.00 0.00 O ATOM 899 OD2 ASP A 57 13.897 -1.374 10.325 1.00 0.00 O ATOM 900 OXT ASP A 57 15.565 2.154 10.218 1.00 0.00 O ATOM 0 H ASP A 57 11.767 2.370 8.241 1.00 0.00 H new ATOM 0 HA ASP A 57 13.044 2.475 10.760 1.00 0.00 H new ATOM 0 HB2 ASP A 57 11.907 0.486 9.724 1.00 0.00 H new ATOM 0 HB3 ASP A 57 13.207 0.378 8.554 1.00 0.00 H new