USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 279 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 48 LYS NZ :NH3+ -164:sc= -2.17 (180deg=-2.66!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0.0796 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 4:sc= 0.666 USER MOD Single : A 57 THR OG1 : rot -74:sc= 0.0461 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0.0294 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot -55:sc= -0.135! USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -1.18 K(o=-1.2,f=-3.8!) USER MOD Single : A 73 SER OG : rot -14:sc= 0.529 USER MOD Single : A 76 LYS NZ :NH3+ -137:sc= -0.133 (180deg=-0.98) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 44 -25.199 -7.492 7.744 1.00 0.00 N ATOM 2 CA ALA A 44 -24.290 -7.011 8.824 1.00 0.00 C ATOM 3 C ALA A 44 -23.527 -5.769 8.355 1.00 0.00 C ATOM 4 O ALA A 44 -22.794 -5.808 7.385 1.00 0.00 O ATOM 5 CB ALA A 44 -23.326 -8.171 9.076 1.00 0.00 C ATOM 0 HA ALA A 44 -24.832 -6.729 9.727 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -22.622 -7.895 9.861 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -23.889 -9.051 9.387 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -22.779 -8.395 8.160 1.00 0.00 H new ATOM 13 N VAL A 45 -23.695 -4.668 9.035 1.00 0.00 N ATOM 14 CA VAL A 45 -22.979 -3.426 8.624 1.00 0.00 C ATOM 15 C VAL A 45 -22.120 -2.904 9.779 1.00 0.00 C ATOM 16 O VAL A 45 -22.372 -1.848 10.327 1.00 0.00 O ATOM 17 CB VAL A 45 -24.082 -2.424 8.281 1.00 0.00 C ATOM 18 CG1 VAL A 45 -23.448 -1.103 7.837 1.00 0.00 C ATOM 19 CG2 VAL A 45 -24.943 -2.981 7.143 1.00 0.00 C ATOM 0 H VAL A 45 -24.295 -4.574 9.855 1.00 0.00 H new ATOM 0 HA VAL A 45 -22.309 -3.597 7.781 1.00 0.00 H new ATOM 0 HB VAL A 45 -24.705 -2.254 9.159 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -24.233 -0.387 7.592 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -22.833 -0.705 8.644 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -22.826 -1.275 6.958 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -25.729 -2.267 6.899 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -24.320 -3.150 6.265 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -25.393 -3.923 7.455 1.00 0.00 H new ATOM 29 N ASP A 46 -21.103 -3.634 10.150 1.00 0.00 N ATOM 30 CA ASP A 46 -20.222 -3.181 11.266 1.00 0.00 C ATOM 31 C ASP A 46 -18.800 -2.946 10.749 1.00 0.00 C ATOM 32 O ASP A 46 -17.831 -3.175 11.445 1.00 0.00 O ATOM 33 CB ASP A 46 -20.242 -4.325 12.283 1.00 0.00 C ATOM 34 CG ASP A 46 -19.412 -5.497 11.756 1.00 0.00 C ATOM 35 OD1 ASP A 46 -19.713 -5.971 10.673 1.00 0.00 O ATOM 36 OD2 ASP A 46 -18.488 -5.900 12.444 1.00 0.00 O ATOM 0 H ASP A 46 -20.843 -4.526 9.728 1.00 0.00 H new ATOM 0 HA ASP A 46 -20.562 -2.243 11.706 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -19.842 -3.983 13.237 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -21.268 -4.646 12.464 1.00 0.00 H new ATOM 41 N GLU A 47 -18.670 -2.495 9.532 1.00 0.00 N ATOM 42 CA GLU A 47 -17.313 -2.248 8.966 1.00 0.00 C ATOM 43 C GLU A 47 -17.435 -1.651 7.562 1.00 0.00 C ATOM 44 O GLU A 47 -17.294 -2.337 6.570 1.00 0.00 O ATOM 45 CB GLU A 47 -16.656 -3.628 8.909 1.00 0.00 C ATOM 46 CG GLU A 47 -15.182 -3.481 8.521 1.00 0.00 C ATOM 47 CD GLU A 47 -14.535 -2.393 9.377 1.00 0.00 C ATOM 48 OE1 GLU A 47 -14.574 -2.520 10.590 1.00 0.00 O ATOM 49 OE2 GLU A 47 -14.011 -1.451 8.806 1.00 0.00 O ATOM 0 H GLU A 47 -19.446 -2.286 8.904 1.00 0.00 H new ATOM 0 HA GLU A 47 -16.732 -1.545 9.562 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -16.740 -4.122 9.877 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -17.172 -4.258 8.184 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -14.661 -4.428 8.663 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -15.097 -3.226 7.465 1.00 0.00 H new ATOM 56 N LYS A 48 -17.710 -0.379 7.472 1.00 0.00 N ATOM 57 CA LYS A 48 -17.854 0.257 6.133 1.00 0.00 C ATOM 58 C LYS A 48 -16.582 1.016 5.750 1.00 0.00 C ATOM 59 O LYS A 48 -15.746 0.520 5.022 1.00 0.00 O ATOM 60 CB LYS A 48 -19.027 1.226 6.283 1.00 0.00 C ATOM 61 CG LYS A 48 -20.216 0.724 5.463 1.00 0.00 C ATOM 62 CD LYS A 48 -21.518 1.121 6.158 1.00 0.00 C ATOM 63 CE LYS A 48 -22.566 1.492 5.106 1.00 0.00 C ATOM 64 NZ LYS A 48 -23.644 0.476 5.263 1.00 0.00 N ATOM 0 H LYS A 48 -17.841 0.247 8.267 1.00 0.00 H new ATOM 0 HA LYS A 48 -18.023 -0.481 5.349 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -19.307 1.313 7.333 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -18.735 2.221 5.947 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -20.184 1.147 4.459 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -20.165 -0.359 5.354 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -21.880 0.297 6.773 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -21.343 1.964 6.826 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -22.947 2.500 5.267 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -22.143 1.467 4.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -24.257 0.488 4.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -23.219 -0.467 5.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -24.209 0.697 6.107 1.00 0.00 H new ATOM 78 N LEU A 49 -16.439 2.225 6.219 1.00 0.00 N ATOM 79 CA LEU A 49 -15.232 3.023 5.864 1.00 0.00 C ATOM 80 C LEU A 49 -15.027 2.999 4.345 1.00 0.00 C ATOM 81 O LEU A 49 -13.941 3.217 3.847 1.00 0.00 O ATOM 82 CB LEU A 49 -14.069 2.345 6.589 1.00 0.00 C ATOM 83 CG LEU A 49 -14.087 2.754 8.064 1.00 0.00 C ATOM 84 CD1 LEU A 49 -13.900 1.517 8.943 1.00 0.00 C ATOM 85 CD2 LEU A 49 -12.954 3.748 8.333 1.00 0.00 C ATOM 0 H LEU A 49 -17.105 2.694 6.832 1.00 0.00 H new ATOM 0 HA LEU A 49 -15.321 4.069 6.157 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -14.151 1.262 6.499 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -13.122 2.632 6.131 1.00 0.00 H new ATOM 0 HG LEU A 49 -15.044 3.221 8.297 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -13.913 1.811 9.993 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -14.708 0.811 8.754 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -12.945 1.046 8.710 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -12.967 4.039 9.383 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -11.997 3.282 8.098 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -13.090 4.632 7.710 1.00 0.00 H new ATOM 97 N ARG A 50 -16.080 2.741 3.611 1.00 0.00 N ATOM 98 CA ARG A 50 -15.993 2.703 2.121 1.00 0.00 C ATOM 99 C ARG A 50 -14.902 1.736 1.647 1.00 0.00 C ATOM 100 O ARG A 50 -13.733 1.905 1.932 1.00 0.00 O ATOM 101 CB ARG A 50 -15.657 4.133 1.689 1.00 0.00 C ATOM 102 CG ARG A 50 -15.548 4.187 0.162 1.00 0.00 C ATOM 103 CD ARG A 50 -15.107 5.587 -0.279 1.00 0.00 C ATOM 104 NE ARG A 50 -13.851 5.855 0.474 1.00 0.00 N ATOM 105 CZ ARG A 50 -13.551 7.075 0.829 1.00 0.00 C ATOM 106 NH1 ARG A 50 -14.179 8.085 0.290 1.00 0.00 N ATOM 107 NH2 ARG A 50 -12.623 7.284 1.722 1.00 0.00 N ATOM 0 H ARG A 50 -17.009 2.553 3.988 1.00 0.00 H new ATOM 0 HA ARG A 50 -16.928 2.351 1.685 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -16.429 4.821 2.035 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -14.719 4.452 2.144 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -14.831 3.444 -0.187 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -16.509 3.940 -0.289 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -14.937 5.626 -1.355 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -15.870 6.331 -0.050 1.00 0.00 H new ATOM 0 HE ARG A 50 -13.225 5.086 0.712 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -14.904 7.921 -0.408 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -13.945 9.038 0.567 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -12.133 6.495 2.142 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -12.388 8.237 2.000 1.00 0.00 H new ATOM 121 N ASP A 51 -15.280 0.739 0.898 1.00 0.00 N ATOM 122 CA ASP A 51 -14.277 -0.226 0.369 1.00 0.00 C ATOM 123 C ASP A 51 -13.944 0.164 -1.073 1.00 0.00 C ATOM 124 O ASP A 51 -13.999 -0.642 -1.980 1.00 0.00 O ATOM 125 CB ASP A 51 -14.974 -1.590 0.418 1.00 0.00 C ATOM 126 CG ASP A 51 -14.022 -2.642 0.991 1.00 0.00 C ATOM 127 OD1 ASP A 51 -13.769 -2.597 2.183 1.00 0.00 O ATOM 128 OD2 ASP A 51 -13.567 -3.478 0.228 1.00 0.00 O ATOM 0 H ASP A 51 -16.245 0.550 0.628 1.00 0.00 H new ATOM 0 HA ASP A 51 -13.346 -0.239 0.936 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -15.872 -1.527 1.032 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -15.292 -1.882 -0.583 1.00 0.00 H new ATOM 133 N LEU A 52 -13.632 1.416 -1.288 1.00 0.00 N ATOM 134 CA LEU A 52 -13.328 1.901 -2.667 1.00 0.00 C ATOM 135 C LEU A 52 -11.844 1.695 -3.019 1.00 0.00 C ATOM 136 O LEU A 52 -11.363 2.196 -4.015 1.00 0.00 O ATOM 137 CB LEU A 52 -13.685 3.392 -2.620 1.00 0.00 C ATOM 138 CG LEU A 52 -13.124 4.119 -3.845 1.00 0.00 C ATOM 139 CD1 LEU A 52 -14.130 5.175 -4.317 1.00 0.00 C ATOM 140 CD2 LEU A 52 -11.808 4.805 -3.468 1.00 0.00 C ATOM 0 H LEU A 52 -13.574 2.129 -0.561 1.00 0.00 H new ATOM 0 HA LEU A 52 -13.885 1.360 -3.432 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -14.768 3.511 -2.584 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -13.285 3.839 -1.710 1.00 0.00 H new ATOM 0 HG LEU A 52 -12.947 3.401 -4.646 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -13.731 5.693 -5.189 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -15.070 4.690 -4.581 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -14.305 5.894 -3.517 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -11.406 5.324 -4.338 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -11.988 5.524 -2.668 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -11.092 4.057 -3.129 1.00 0.00 H new ATOM 152 N TYR A 53 -11.113 0.955 -2.228 1.00 0.00 N ATOM 153 CA TYR A 53 -9.670 0.729 -2.562 1.00 0.00 C ATOM 154 C TYR A 53 -9.541 -0.422 -3.561 1.00 0.00 C ATOM 155 O TYR A 53 -8.458 -0.903 -3.831 1.00 0.00 O ATOM 156 CB TYR A 53 -8.986 0.353 -1.246 1.00 0.00 C ATOM 157 CG TYR A 53 -9.105 1.490 -0.264 1.00 0.00 C ATOM 158 CD1 TYR A 53 -8.495 2.721 -0.535 1.00 0.00 C ATOM 159 CD2 TYR A 53 -9.826 1.313 0.922 1.00 0.00 C ATOM 160 CE1 TYR A 53 -8.607 3.771 0.378 1.00 0.00 C ATOM 161 CE2 TYR A 53 -9.938 2.362 1.835 1.00 0.00 C ATOM 162 CZ TYR A 53 -9.328 3.594 1.566 1.00 0.00 C ATOM 163 OH TYR A 53 -9.443 4.633 2.468 1.00 0.00 O ATOM 0 H TYR A 53 -11.443 0.502 -1.376 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.219 1.614 -3.011 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -9.443 -0.546 -0.832 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -7.936 0.123 -1.424 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -7.938 2.858 -1.450 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -10.296 0.363 1.131 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -8.137 4.721 0.168 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -10.495 2.224 2.750 1.00 0.00 H new ATOM 0 HH TYR A 53 -9.976 4.341 3.237 1.00 0.00 H new ATOM 173 N SER A 54 -10.637 -0.875 -4.098 1.00 0.00 N ATOM 174 CA SER A 54 -10.577 -2.009 -5.067 1.00 0.00 C ATOM 175 C SER A 54 -10.379 -1.496 -6.499 1.00 0.00 C ATOM 176 O SER A 54 -11.320 -1.379 -7.257 1.00 0.00 O ATOM 177 CB SER A 54 -11.925 -2.722 -4.937 1.00 0.00 C ATOM 178 OG SER A 54 -12.587 -2.280 -3.756 1.00 0.00 O ATOM 0 H SER A 54 -11.572 -0.512 -3.910 1.00 0.00 H new ATOM 0 HA SER A 54 -9.739 -2.674 -4.856 1.00 0.00 H new ATOM 0 HB2 SER A 54 -12.543 -2.516 -5.811 1.00 0.00 H new ATOM 0 HB3 SER A 54 -11.775 -3.801 -4.900 1.00 0.00 H new ATOM 0 HG SER A 54 -13.451 -2.736 -3.675 1.00 0.00 H new ATOM 184 N LYS A 55 -9.161 -1.205 -6.877 1.00 0.00 N ATOM 185 CA LYS A 55 -8.898 -0.714 -8.265 1.00 0.00 C ATOM 186 C LYS A 55 -7.421 -0.330 -8.410 1.00 0.00 C ATOM 187 O LYS A 55 -6.761 -0.708 -9.358 1.00 0.00 O ATOM 188 CB LYS A 55 -9.792 0.517 -8.435 1.00 0.00 C ATOM 189 CG LYS A 55 -9.370 1.293 -9.684 1.00 0.00 C ATOM 190 CD LYS A 55 -8.481 2.471 -9.278 1.00 0.00 C ATOM 191 CE LYS A 55 -9.274 3.776 -9.397 1.00 0.00 C ATOM 192 NZ LYS A 55 -8.377 4.823 -8.828 1.00 0.00 N ATOM 0 H LYS A 55 -8.335 -1.286 -6.284 1.00 0.00 H new ATOM 0 HA LYS A 55 -9.111 -1.472 -9.019 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.835 0.212 -8.520 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -9.718 1.157 -7.555 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.832 0.637 -10.368 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -10.251 1.654 -10.215 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.129 2.339 -8.255 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.598 2.510 -9.916 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -9.525 3.993 -10.435 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -10.213 3.719 -8.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.850 5.748 -8.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -8.161 4.594 -7.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -7.494 4.859 -9.376 1.00 0.00 H new ATOM 206 N SER A 56 -6.905 0.413 -7.472 1.00 0.00 N ATOM 207 CA SER A 56 -5.472 0.828 -7.532 1.00 0.00 C ATOM 208 C SER A 56 -5.084 1.504 -6.215 1.00 0.00 C ATOM 209 O SER A 56 -5.854 1.518 -5.278 1.00 0.00 O ATOM 210 CB SER A 56 -5.387 1.822 -8.691 1.00 0.00 C ATOM 211 OG SER A 56 -5.413 1.114 -9.923 1.00 0.00 O ATOM 0 H SER A 56 -7.417 0.754 -6.659 1.00 0.00 H new ATOM 0 HA SER A 56 -4.798 -0.015 -7.680 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.220 2.524 -8.645 1.00 0.00 H new ATOM 0 HB3 SER A 56 -4.471 2.408 -8.615 1.00 0.00 H new ATOM 0 HG SER A 56 -5.542 0.158 -9.748 1.00 0.00 H new ATOM 217 N THR A 57 -3.904 2.062 -6.136 1.00 0.00 N ATOM 218 CA THR A 57 -3.457 2.752 -4.874 1.00 0.00 C ATOM 219 C THR A 57 -3.340 1.758 -3.706 1.00 0.00 C ATOM 220 O THR A 57 -2.311 1.669 -3.064 1.00 0.00 O ATOM 221 CB THR A 57 -4.512 3.833 -4.562 1.00 0.00 C ATOM 222 OG1 THR A 57 -5.562 3.272 -3.788 1.00 0.00 O ATOM 223 CG2 THR A 57 -5.083 4.421 -5.859 1.00 0.00 C ATOM 0 H THR A 57 -3.221 2.073 -6.894 1.00 0.00 H new ATOM 0 HA THR A 57 -2.469 3.193 -5.009 1.00 0.00 H new ATOM 0 HB THR A 57 -4.032 4.633 -3.998 1.00 0.00 H new ATOM 0 HG1 THR A 57 -6.126 2.710 -4.360 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.825 5.182 -5.618 1.00 0.00 H new ATOM 0 HG22 THR A 57 -4.278 4.871 -6.440 1.00 0.00 H new ATOM 0 HG23 THR A 57 -5.552 3.629 -6.442 1.00 0.00 H new ATOM 231 N ALA A 58 -4.377 1.014 -3.414 1.00 0.00 N ATOM 232 CA ALA A 58 -4.315 0.036 -2.284 1.00 0.00 C ATOM 233 C ALA A 58 -2.957 -0.681 -2.228 1.00 0.00 C ATOM 234 O ALA A 58 -2.562 -1.163 -1.185 1.00 0.00 O ATOM 235 CB ALA A 58 -5.435 -0.967 -2.567 1.00 0.00 C ATOM 0 H ALA A 58 -5.267 1.042 -3.911 1.00 0.00 H new ATOM 0 HA ALA A 58 -4.432 0.534 -1.322 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -5.456 -1.721 -1.780 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -6.392 -0.446 -2.596 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.256 -1.450 -3.527 1.00 0.00 H new ATOM 241 N ALA A 59 -2.252 -0.770 -3.335 1.00 0.00 N ATOM 242 CA ALA A 59 -0.920 -1.465 -3.352 1.00 0.00 C ATOM 243 C ALA A 59 -1.121 -2.980 -3.350 1.00 0.00 C ATOM 244 O ALA A 59 -0.531 -3.698 -2.568 1.00 0.00 O ATOM 245 CB ALA A 59 -0.178 -1.013 -2.088 1.00 0.00 C ATOM 0 H ALA A 59 -2.545 -0.388 -4.234 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.349 -1.215 -4.246 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.801 -1.491 -2.050 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.053 0.070 -2.107 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.754 -1.296 -1.207 1.00 0.00 H new ATOM 251 N MET A 60 -1.951 -3.467 -4.229 1.00 0.00 N ATOM 252 CA MET A 60 -2.200 -4.932 -4.296 1.00 0.00 C ATOM 253 C MET A 60 -2.395 -5.359 -5.755 1.00 0.00 C ATOM 254 O MET A 60 -1.547 -5.997 -6.347 1.00 0.00 O ATOM 255 CB MET A 60 -3.485 -5.149 -3.494 1.00 0.00 C ATOM 256 CG MET A 60 -4.080 -6.518 -3.831 1.00 0.00 C ATOM 257 SD MET A 60 -2.832 -7.799 -3.562 1.00 0.00 S ATOM 258 CE MET A 60 -3.847 -8.884 -2.529 1.00 0.00 C ATOM 0 H MET A 60 -2.470 -2.909 -4.907 1.00 0.00 H new ATOM 0 HA MET A 60 -1.371 -5.517 -3.899 1.00 0.00 H new ATOM 0 HB2 MET A 60 -3.273 -5.087 -2.427 1.00 0.00 H new ATOM 0 HB3 MET A 60 -4.205 -4.363 -3.723 1.00 0.00 H new ATOM 0 HG2 MET A 60 -4.954 -6.710 -3.209 1.00 0.00 H new ATOM 0 HG3 MET A 60 -4.417 -6.535 -4.867 1.00 0.00 H new ATOM 0 HE1 MET A 60 -3.266 -9.759 -2.240 1.00 0.00 H new ATOM 0 HE2 MET A 60 -4.161 -8.346 -1.635 1.00 0.00 H new ATOM 0 HE3 MET A 60 -4.726 -9.202 -3.089 1.00 0.00 H new ATOM 268 N SER A 61 -3.512 -5.011 -6.332 1.00 0.00 N ATOM 269 CA SER A 61 -3.779 -5.392 -7.749 1.00 0.00 C ATOM 270 C SER A 61 -2.530 -5.188 -8.615 1.00 0.00 C ATOM 271 O SER A 61 -1.862 -6.134 -8.985 1.00 0.00 O ATOM 272 CB SER A 61 -4.905 -4.461 -8.201 1.00 0.00 C ATOM 273 OG SER A 61 -6.013 -4.601 -7.322 1.00 0.00 O ATOM 0 H SER A 61 -4.255 -4.477 -5.881 1.00 0.00 H new ATOM 0 HA SER A 61 -4.050 -6.443 -7.844 1.00 0.00 H new ATOM 0 HB2 SER A 61 -4.558 -3.428 -8.205 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.203 -4.701 -9.221 1.00 0.00 H new ATOM 0 HG SER A 61 -6.735 -4.004 -7.609 1.00 0.00 H new ATOM 279 N THR A 62 -2.215 -3.966 -8.953 1.00 0.00 N ATOM 280 CA THR A 62 -1.017 -3.716 -9.809 1.00 0.00 C ATOM 281 C THR A 62 -0.156 -2.590 -9.230 1.00 0.00 C ATOM 282 O THR A 62 -0.521 -1.431 -9.273 1.00 0.00 O ATOM 283 CB THR A 62 -1.587 -3.309 -11.170 1.00 0.00 C ATOM 284 OG1 THR A 62 -2.134 -4.452 -11.812 1.00 0.00 O ATOM 285 CG2 THR A 62 -0.473 -2.718 -12.037 1.00 0.00 C ATOM 0 H THR A 62 -2.733 -3.132 -8.675 1.00 0.00 H new ATOM 0 HA THR A 62 -0.373 -4.593 -9.874 1.00 0.00 H new ATOM 0 HB THR A 62 -2.368 -2.562 -11.029 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.501 -4.194 -12.683 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.881 -2.429 -13.006 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.054 -1.841 -11.543 1.00 0.00 H new ATOM 0 HG23 THR A 62 0.310 -3.462 -12.181 1.00 0.00 H new ATOM 293 N TYR A 63 0.989 -2.920 -8.698 1.00 0.00 N ATOM 294 CA TYR A 63 1.883 -1.872 -8.124 1.00 0.00 C ATOM 295 C TYR A 63 3.106 -2.525 -7.473 1.00 0.00 C ATOM 296 O TYR A 63 3.001 -3.184 -6.458 1.00 0.00 O ATOM 297 CB TYR A 63 1.037 -1.149 -7.075 1.00 0.00 C ATOM 298 CG TYR A 63 1.242 0.343 -7.205 1.00 0.00 C ATOM 299 CD1 TYR A 63 0.477 1.080 -8.119 1.00 0.00 C ATOM 300 CD2 TYR A 63 2.196 0.991 -6.410 1.00 0.00 C ATOM 301 CE1 TYR A 63 0.667 2.462 -8.238 1.00 0.00 C ATOM 302 CE2 TYR A 63 2.386 2.373 -6.529 1.00 0.00 C ATOM 303 CZ TYR A 63 1.621 3.109 -7.443 1.00 0.00 C ATOM 304 OH TYR A 63 1.806 4.471 -7.559 1.00 0.00 O ATOM 0 H TYR A 63 1.346 -3.873 -8.636 1.00 0.00 H new ATOM 0 HA TYR A 63 2.254 -1.185 -8.885 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -0.016 -1.395 -7.209 1.00 0.00 H new ATOM 0 HB3 TYR A 63 1.317 -1.480 -6.075 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -0.259 0.582 -8.732 1.00 0.00 H new ATOM 0 HD2 TYR A 63 2.785 0.424 -5.705 1.00 0.00 H new ATOM 0 HE1 TYR A 63 0.078 3.029 -8.943 1.00 0.00 H new ATOM 0 HE2 TYR A 63 3.122 2.872 -5.916 1.00 0.00 H new ATOM 0 HH TYR A 63 2.504 4.761 -6.935 1.00 0.00 H new ATOM 314 N THR A 64 4.266 -2.353 -8.052 1.00 0.00 N ATOM 315 CA THR A 64 5.489 -2.972 -7.463 1.00 0.00 C ATOM 316 C THR A 64 6.755 -2.305 -8.014 1.00 0.00 C ATOM 317 O THR A 64 7.625 -1.900 -7.269 1.00 0.00 O ATOM 318 CB THR A 64 5.431 -4.440 -7.890 1.00 0.00 C ATOM 319 OG1 THR A 64 4.086 -4.894 -7.835 1.00 0.00 O ATOM 320 CG2 THR A 64 6.297 -5.286 -6.954 1.00 0.00 C ATOM 0 H THR A 64 4.418 -1.813 -8.904 1.00 0.00 H new ATOM 0 HA THR A 64 5.523 -2.857 -6.380 1.00 0.00 H new ATOM 0 HB THR A 64 5.807 -4.535 -8.909 1.00 0.00 H new ATOM 0 HG1 THR A 64 3.721 -4.727 -6.941 1.00 0.00 H new ATOM 0 HG21 THR A 64 6.252 -6.331 -7.262 1.00 0.00 H new ATOM 0 HG22 THR A 64 7.329 -4.938 -6.999 1.00 0.00 H new ATOM 0 HG23 THR A 64 5.927 -5.193 -5.933 1.00 0.00 H new ATOM 328 N GLY A 65 6.871 -2.193 -9.309 1.00 0.00 N ATOM 329 CA GLY A 65 8.088 -1.559 -9.897 1.00 0.00 C ATOM 330 C GLY A 65 7.927 -0.039 -9.889 1.00 0.00 C ATOM 331 O GLY A 65 7.664 0.571 -10.906 1.00 0.00 O ATOM 0 H GLY A 65 6.178 -2.512 -9.985 1.00 0.00 H new ATOM 0 HA2 GLY A 65 8.971 -1.845 -9.326 1.00 0.00 H new ATOM 0 HA3 GLY A 65 8.239 -1.914 -10.917 1.00 0.00 H new ATOM 335 N ILE A 66 8.085 0.577 -8.749 1.00 0.00 N ATOM 336 CA ILE A 66 7.938 2.059 -8.671 1.00 0.00 C ATOM 337 C ILE A 66 8.200 2.531 -7.236 1.00 0.00 C ATOM 338 O ILE A 66 7.308 2.972 -6.539 1.00 0.00 O ATOM 339 CB ILE A 66 6.489 2.328 -9.090 1.00 0.00 C ATOM 340 CG1 ILE A 66 6.188 3.831 -8.983 1.00 0.00 C ATOM 341 CG2 ILE A 66 5.534 1.528 -8.193 1.00 0.00 C ATOM 342 CD1 ILE A 66 4.676 4.062 -9.027 1.00 0.00 C ATOM 0 H ILE A 66 8.310 0.117 -7.867 1.00 0.00 H new ATOM 0 HA ILE A 66 8.644 2.592 -9.308 1.00 0.00 H new ATOM 0 HB ILE A 66 6.347 2.014 -10.124 1.00 0.00 H new ATOM 0 HG12 ILE A 66 6.599 4.228 -8.055 1.00 0.00 H new ATOM 0 HG13 ILE A 66 6.671 4.367 -9.800 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.504 1.722 -8.494 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.747 0.464 -8.293 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.672 1.830 -7.155 1.00 0.00 H new ATOM 0 HD11 ILE A 66 4.469 5.129 -8.951 1.00 0.00 H new ATOM 0 HD12 ILE A 66 4.277 3.681 -9.967 1.00 0.00 H new ATOM 0 HD13 ILE A 66 4.204 3.540 -8.195 1.00 0.00 H new ATOM 354 N PHE A 67 9.418 2.430 -6.782 1.00 0.00 N ATOM 355 CA PHE A 67 9.729 2.859 -5.387 1.00 0.00 C ATOM 356 C PHE A 67 11.138 3.456 -5.303 1.00 0.00 C ATOM 357 O PHE A 67 12.060 2.996 -5.947 1.00 0.00 O ATOM 358 CB PHE A 67 9.645 1.575 -4.557 1.00 0.00 C ATOM 359 CG PHE A 67 10.392 0.468 -5.263 1.00 0.00 C ATOM 360 CD1 PHE A 67 11.784 0.378 -5.148 1.00 0.00 C ATOM 361 CD2 PHE A 67 9.692 -0.464 -6.039 1.00 0.00 C ATOM 362 CE1 PHE A 67 12.477 -0.644 -5.807 1.00 0.00 C ATOM 363 CE2 PHE A 67 10.385 -1.488 -6.697 1.00 0.00 C ATOM 364 CZ PHE A 67 11.777 -1.578 -6.582 1.00 0.00 C ATOM 0 H PHE A 67 10.211 2.070 -7.314 1.00 0.00 H new ATOM 0 HA PHE A 67 9.043 3.629 -5.034 1.00 0.00 H new ATOM 0 HB2 PHE A 67 10.070 1.741 -3.567 1.00 0.00 H new ATOM 0 HB3 PHE A 67 8.603 1.290 -4.413 1.00 0.00 H new ATOM 0 HD1 PHE A 67 12.324 1.098 -4.550 1.00 0.00 H new ATOM 0 HD2 PHE A 67 8.618 -0.393 -6.130 1.00 0.00 H new ATOM 0 HE1 PHE A 67 13.551 -0.713 -5.718 1.00 0.00 H new ATOM 0 HE2 PHE A 67 9.845 -2.208 -7.293 1.00 0.00 H new ATOM 0 HZ PHE A 67 12.311 -2.367 -7.090 1.00 0.00 H new ATOM 374 N THR A 68 11.311 4.477 -4.507 1.00 0.00 N ATOM 375 CA THR A 68 12.657 5.103 -4.370 1.00 0.00 C ATOM 376 C THR A 68 12.786 5.776 -3.000 1.00 0.00 C ATOM 377 O THR A 68 11.801 6.060 -2.345 1.00 0.00 O ATOM 378 CB THR A 68 12.731 6.144 -5.490 1.00 0.00 C ATOM 379 OG1 THR A 68 11.804 7.189 -5.226 1.00 0.00 O ATOM 380 CG2 THR A 68 12.391 5.485 -6.827 1.00 0.00 C ATOM 0 H THR A 68 10.576 4.905 -3.944 1.00 0.00 H new ATOM 0 HA THR A 68 13.462 4.372 -4.444 1.00 0.00 H new ATOM 0 HB THR A 68 13.740 6.555 -5.537 1.00 0.00 H new ATOM 0 HG1 THR A 68 11.852 7.857 -5.941 1.00 0.00 H new ATOM 0 HG21 THR A 68 12.444 6.228 -7.623 1.00 0.00 H new ATOM 0 HG22 THR A 68 13.103 4.685 -7.030 1.00 0.00 H new ATOM 0 HG23 THR A 68 11.383 5.072 -6.783 1.00 0.00 H new ATOM 388 N ASP A 69 13.988 6.036 -2.562 1.00 0.00 N ATOM 389 CA ASP A 69 14.175 6.694 -1.236 1.00 0.00 C ATOM 390 C ASP A 69 13.469 5.895 -0.137 1.00 0.00 C ATOM 391 O ASP A 69 12.637 5.054 -0.406 1.00 0.00 O ATOM 392 CB ASP A 69 13.538 8.076 -1.389 1.00 0.00 C ATOM 393 CG ASP A 69 13.502 8.781 -0.032 1.00 0.00 C ATOM 394 OD1 ASP A 69 14.418 8.572 0.747 1.00 0.00 O ATOM 395 OD2 ASP A 69 12.561 9.519 0.205 1.00 0.00 O ATOM 0 H ASP A 69 14.849 5.821 -3.065 1.00 0.00 H new ATOM 0 HA ASP A 69 15.226 6.756 -0.952 1.00 0.00 H new ATOM 0 HB2 ASP A 69 14.106 8.671 -2.104 1.00 0.00 H new ATOM 0 HB3 ASP A 69 12.528 7.979 -1.786 1.00 0.00 H new ATOM 400 N GLN A 70 13.798 6.160 1.100 1.00 0.00 N ATOM 401 CA GLN A 70 13.156 5.429 2.234 1.00 0.00 C ATOM 402 C GLN A 70 12.968 3.944 1.893 1.00 0.00 C ATOM 403 O GLN A 70 13.840 3.135 2.132 1.00 0.00 O ATOM 404 CB GLN A 70 11.803 6.117 2.430 1.00 0.00 C ATOM 405 CG GLN A 70 11.955 7.283 3.411 1.00 0.00 C ATOM 406 CD GLN A 70 12.570 6.776 4.718 1.00 0.00 C ATOM 407 OE1 GLN A 70 12.583 5.590 4.977 1.00 0.00 O ATOM 408 NE2 GLN A 70 13.086 7.633 5.556 1.00 0.00 N ATOM 0 H GLN A 70 14.490 6.857 1.376 1.00 0.00 H new ATOM 0 HA GLN A 70 13.766 5.459 3.137 1.00 0.00 H new ATOM 0 HB2 GLN A 70 11.427 6.480 1.474 1.00 0.00 H new ATOM 0 HB3 GLN A 70 11.072 5.403 2.809 1.00 0.00 H new ATOM 0 HG2 GLN A 70 12.587 8.058 2.976 1.00 0.00 H new ATOM 0 HG3 GLN A 70 10.983 7.737 3.606 1.00 0.00 H new ATOM 0 HE21 GLN A 70 13.075 8.629 5.338 1.00 0.00 H new ATOM 0 HE22 GLN A 70 13.500 7.306 6.429 1.00 0.00 H new ATOM 417 N VAL A 71 11.835 3.585 1.350 1.00 0.00 N ATOM 418 CA VAL A 71 11.576 2.155 1.000 1.00 0.00 C ATOM 419 C VAL A 71 12.838 1.486 0.438 1.00 0.00 C ATOM 420 O VAL A 71 13.035 0.296 0.586 1.00 0.00 O ATOM 421 CB VAL A 71 10.489 2.211 -0.071 1.00 0.00 C ATOM 422 CG1 VAL A 71 10.280 0.816 -0.662 1.00 0.00 C ATOM 423 CG2 VAL A 71 9.181 2.700 0.558 1.00 0.00 C ATOM 0 H VAL A 71 11.071 4.225 1.132 1.00 0.00 H new ATOM 0 HA VAL A 71 11.279 1.572 1.872 1.00 0.00 H new ATOM 0 HB VAL A 71 10.793 2.897 -0.862 1.00 0.00 H new ATOM 0 HG11 VAL A 71 9.504 0.857 -1.426 1.00 0.00 H new ATOM 0 HG12 VAL A 71 11.211 0.467 -1.109 1.00 0.00 H new ATOM 0 HG13 VAL A 71 9.976 0.128 0.127 1.00 0.00 H new ATOM 0 HG21 VAL A 71 8.403 2.741 -0.205 1.00 0.00 H new ATOM 0 HG22 VAL A 71 8.878 2.013 1.348 1.00 0.00 H new ATOM 0 HG23 VAL A 71 9.329 3.695 0.979 1.00 0.00 H new ATOM 433 N LEU A 72 13.690 2.237 -0.207 1.00 0.00 N ATOM 434 CA LEU A 72 14.931 1.635 -0.780 1.00 0.00 C ATOM 435 C LEU A 72 16.128 1.865 0.149 1.00 0.00 C ATOM 436 O LEU A 72 17.264 1.882 -0.283 1.00 0.00 O ATOM 437 CB LEU A 72 15.141 2.359 -2.109 1.00 0.00 C ATOM 438 CG LEU A 72 15.665 1.368 -3.150 1.00 0.00 C ATOM 439 CD1 LEU A 72 16.042 2.117 -4.431 1.00 0.00 C ATOM 440 CD2 LEU A 72 16.901 0.652 -2.598 1.00 0.00 C ATOM 0 H LEU A 72 13.582 3.239 -0.362 1.00 0.00 H new ATOM 0 HA LEU A 72 14.839 0.556 -0.906 1.00 0.00 H new ATOM 0 HB2 LEU A 72 14.203 2.798 -2.449 1.00 0.00 H new ATOM 0 HB3 LEU A 72 15.849 3.178 -1.982 1.00 0.00 H new ATOM 0 HG LEU A 72 14.888 0.637 -3.373 1.00 0.00 H new ATOM 0 HD11 LEU A 72 16.415 1.408 -5.170 1.00 0.00 H new ATOM 0 HD12 LEU A 72 15.163 2.626 -4.827 1.00 0.00 H new ATOM 0 HD13 LEU A 72 16.817 2.851 -4.209 1.00 0.00 H new ATOM 0 HD21 LEU A 72 17.274 -0.054 -3.340 1.00 0.00 H new ATOM 0 HD22 LEU A 72 17.676 1.385 -2.373 1.00 0.00 H new ATOM 0 HD23 LEU A 72 16.634 0.115 -1.688 1.00 0.00 H new ATOM 452 N SER A 73 15.887 2.040 1.420 1.00 0.00 N ATOM 453 CA SER A 73 17.017 2.268 2.367 1.00 0.00 C ATOM 454 C SER A 73 16.636 1.799 3.774 1.00 0.00 C ATOM 455 O SER A 73 16.891 2.470 4.754 1.00 0.00 O ATOM 456 CB SER A 73 17.250 3.779 2.350 1.00 0.00 C ATOM 457 OG SER A 73 17.612 4.182 1.034 1.00 0.00 O ATOM 0 H SER A 73 14.959 2.035 1.843 1.00 0.00 H new ATOM 0 HA SER A 73 17.911 1.714 2.081 1.00 0.00 H new ATOM 0 HB2 SER A 73 16.348 4.302 2.668 1.00 0.00 H new ATOM 0 HB3 SER A 73 18.038 4.045 3.054 1.00 0.00 H new ATOM 0 HG SER A 73 17.842 3.392 0.502 1.00 0.00 H new ATOM 463 N VAL A 74 16.027 0.650 3.880 1.00 0.00 N ATOM 464 CA VAL A 74 15.629 0.139 5.221 1.00 0.00 C ATOM 465 C VAL A 74 16.181 -1.275 5.432 1.00 0.00 C ATOM 466 O VAL A 74 15.837 -1.953 6.381 1.00 0.00 O ATOM 467 CB VAL A 74 14.103 0.126 5.188 1.00 0.00 C ATOM 468 CG1 VAL A 74 13.571 -0.741 6.330 1.00 0.00 C ATOM 469 CG2 VAL A 74 13.582 1.556 5.347 1.00 0.00 C ATOM 0 H VAL A 74 15.788 0.043 3.096 1.00 0.00 H new ATOM 0 HA VAL A 74 16.016 0.750 6.036 1.00 0.00 H new ATOM 0 HB VAL A 74 13.763 -0.284 4.237 1.00 0.00 H new ATOM 0 HG11 VAL A 74 12.481 -0.748 6.304 1.00 0.00 H new ATOM 0 HG12 VAL A 74 13.944 -1.759 6.218 1.00 0.00 H new ATOM 0 HG13 VAL A 74 13.908 -0.334 7.283 1.00 0.00 H new ATOM 0 HG21 VAL A 74 12.492 1.551 5.324 1.00 0.00 H new ATOM 0 HG22 VAL A 74 13.923 1.964 6.299 1.00 0.00 H new ATOM 0 HG23 VAL A 74 13.959 2.173 4.532 1.00 0.00 H new ATOM 479 N LEU A 75 17.035 -1.725 4.555 1.00 0.00 N ATOM 480 CA LEU A 75 17.605 -3.093 4.709 1.00 0.00 C ATOM 481 C LEU A 75 18.967 -3.027 5.402 1.00 0.00 C ATOM 482 O LEU A 75 19.825 -3.857 5.182 1.00 0.00 O ATOM 483 CB LEU A 75 17.758 -3.629 3.285 1.00 0.00 C ATOM 484 CG LEU A 75 17.462 -5.128 3.280 1.00 0.00 C ATOM 485 CD1 LEU A 75 18.487 -5.851 4.157 1.00 0.00 C ATOM 486 CD2 LEU A 75 16.059 -5.368 3.840 1.00 0.00 C ATOM 0 H LEU A 75 17.362 -1.206 3.740 1.00 0.00 H new ATOM 0 HA LEU A 75 16.968 -3.733 5.319 1.00 0.00 H new ATOM 0 HB2 LEU A 75 17.076 -3.109 2.612 1.00 0.00 H new ATOM 0 HB3 LEU A 75 18.768 -3.444 2.920 1.00 0.00 H new ATOM 0 HG LEU A 75 17.520 -5.509 2.260 1.00 0.00 H new ATOM 0 HD11 LEU A 75 18.278 -6.921 4.155 1.00 0.00 H new ATOM 0 HD12 LEU A 75 19.489 -5.677 3.765 1.00 0.00 H new ATOM 0 HD13 LEU A 75 18.425 -5.471 5.177 1.00 0.00 H new ATOM 0 HD21 LEU A 75 15.844 -6.437 3.838 1.00 0.00 H new ATOM 0 HD22 LEU A 75 16.005 -4.989 4.861 1.00 0.00 H new ATOM 0 HD23 LEU A 75 15.327 -4.850 3.221 1.00 0.00 H new ATOM 498 N LYS A 76 19.175 -2.047 6.239 1.00 0.00 N ATOM 499 CA LYS A 76 20.486 -1.937 6.941 1.00 0.00 C ATOM 500 C LYS A 76 20.283 -1.459 8.382 1.00 0.00 C ATOM 501 O LYS A 76 21.164 -0.874 8.979 1.00 0.00 O ATOM 502 CB LYS A 76 21.278 -0.906 6.139 1.00 0.00 C ATOM 503 CG LYS A 76 21.705 -1.522 4.806 1.00 0.00 C ATOM 504 CD LYS A 76 23.029 -0.903 4.357 1.00 0.00 C ATOM 505 CE LYS A 76 23.712 -1.833 3.352 1.00 0.00 C ATOM 506 NZ LYS A 76 24.179 -2.994 4.159 1.00 0.00 N ATOM 0 H LYS A 76 18.497 -1.320 6.467 1.00 0.00 H new ATOM 0 HA LYS A 76 21.003 -2.895 6.999 1.00 0.00 H new ATOM 0 HB2 LYS A 76 20.669 -0.019 5.964 1.00 0.00 H new ATOM 0 HB3 LYS A 76 22.155 -0.586 6.702 1.00 0.00 H new ATOM 0 HG2 LYS A 76 21.813 -2.602 4.911 1.00 0.00 H new ATOM 0 HG3 LYS A 76 20.937 -1.350 4.052 1.00 0.00 H new ATOM 0 HD2 LYS A 76 22.852 0.072 3.904 1.00 0.00 H new ATOM 0 HD3 LYS A 76 23.678 -0.741 5.218 1.00 0.00 H new ATOM 0 HE2 LYS A 76 23.019 -2.148 2.571 1.00 0.00 H new ATOM 0 HE3 LYS A 76 24.546 -1.335 2.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 25.141 -3.256 3.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 24.183 -2.737 5.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 23.539 -3.800 4.010 1.00 0.00 H new ATOM 520 N GLY A 77 19.132 -1.710 8.947 1.00 0.00 N ATOM 521 CA GLY A 77 18.881 -1.277 10.351 1.00 0.00 C ATOM 522 C GLY A 77 19.195 -2.436 11.298 1.00 0.00 C ATOM 523 O GLY A 77 19.909 -2.283 12.271 1.00 0.00 O ATOM 0 H GLY A 77 18.356 -2.196 8.497 1.00 0.00 H new ATOM 0 HA2 GLY A 77 19.501 -0.414 10.595 1.00 0.00 H new ATOM 0 HA3 GLY A 77 17.843 -0.967 10.468 1.00 0.00 H new ATOM 527 N GLU A 78 18.672 -3.598 11.016 1.00 0.00 N ATOM 528 CA GLU A 78 18.941 -4.777 11.889 1.00 0.00 C ATOM 529 C GLU A 78 19.154 -6.020 11.022 1.00 0.00 C ATOM 530 O GLU A 78 19.142 -7.139 11.497 1.00 0.00 O ATOM 531 CB GLU A 78 17.687 -4.921 12.757 1.00 0.00 C ATOM 532 CG GLU A 78 17.675 -6.298 13.435 1.00 0.00 C ATOM 533 CD GLU A 78 19.057 -6.597 14.023 1.00 0.00 C ATOM 534 OE1 GLU A 78 19.567 -5.757 14.746 1.00 0.00 O ATOM 535 OE2 GLU A 78 19.582 -7.663 13.742 1.00 0.00 O ATOM 0 H GLU A 78 18.068 -3.783 10.215 1.00 0.00 H new ATOM 0 HA GLU A 78 19.837 -4.656 12.499 1.00 0.00 H new ATOM 0 HB2 GLU A 78 17.664 -4.135 13.511 1.00 0.00 H new ATOM 0 HB3 GLU A 78 16.794 -4.800 12.144 1.00 0.00 H new ATOM 0 HG2 GLU A 78 16.922 -6.319 14.223 1.00 0.00 H new ATOM 0 HG3 GLU A 78 17.403 -7.067 12.712 1.00 0.00 H new ATOM 542 N GLU A 79 19.352 -5.826 9.746 1.00 0.00 N ATOM 543 CA GLU A 79 19.568 -6.982 8.831 1.00 0.00 C ATOM 544 C GLU A 79 20.877 -6.788 8.051 1.00 0.00 C ATOM 545 O GLU A 79 21.057 -5.720 7.491 1.00 0.00 O ATOM 546 CB GLU A 79 18.340 -6.968 7.902 1.00 0.00 C ATOM 547 CG GLU A 79 18.674 -7.588 6.538 1.00 0.00 C ATOM 548 CD GLU A 79 19.099 -9.046 6.725 1.00 0.00 C ATOM 549 OE1 GLU A 79 18.401 -9.762 7.423 1.00 0.00 O ATOM 550 OE2 GLU A 79 20.115 -9.423 6.163 1.00 0.00 O ATOM 551 OXT GLU A 79 21.673 -7.713 8.030 1.00 0.00 O ATOM 0 H GLU A 79 19.373 -4.911 9.296 1.00 0.00 H new ATOM 0 HA GLU A 79 19.662 -7.935 9.351 1.00 0.00 H new ATOM 0 HB2 GLU A 79 17.523 -7.520 8.366 1.00 0.00 H new ATOM 0 HB3 GLU A 79 17.995 -5.943 7.765 1.00 0.00 H new ATOM 0 HG2 GLU A 79 17.806 -7.533 5.881 1.00 0.00 H new ATOM 0 HG3 GLU A 79 19.474 -7.025 6.058 1.00 0.00 H new TER 558 GLU A 79