USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 497 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 50 THR OG1 : rot -105:sc= 1.82 USER MOD Set 1.2: A 55 THR OG1 : rot -90:sc= 1.64 USER MOD Set 2.1: A 30 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 33 THR OG1 : rot 75:sc= 1.07 USER MOD Set 3.1: A 23 HIS : no HD1:sc= -8.24! K(o=-11!,f=-4.5) USER MOD Set 3.2: A 25 SER OG : rot -160:sc= -2.75! USER MOD Single : A 1 GLY N :NH3+ 138:sc= 0.0401 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 43:sc= 0.0793 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= -2.34 USER MOD Single : A 37 ASN : amide:sc= -5.12! C(o=-5.1!,f=-5.9!) USER MOD Single : A 39 HIS : no HD1:sc= -2.69 K(o=-2.7,f=-8.1!) USER MOD Single : A 41 SER OG : rot 9:sc= -5.37! USER MOD Single : A 42 GLN : amide:sc= -0.0742 K(o=-0.074,f=-1.4) USER MOD Single : A 52 ASN : amide:sc= -0.0703 X(o=-0.07,f=-0.24) USER MOD Single : A 54 LYS NZ :NH3+ -164:sc=-0.00604 (180deg=-0.159) USER MOD Single : A 61 ASN : amide:sc= 0.43 K(o=0.43,f=-2.4!) USER MOD Single : A 62 TYR OH : rot -170:sc= 0.00129 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.352 -32.662 18.621 1.00 0.00 N ATOM 2 CA GLY A 1 10.354 -31.216 18.762 1.00 0.00 C ATOM 3 C GLY A 1 10.194 -30.532 17.403 1.00 0.00 C ATOM 4 O GLY A 1 10.672 -31.038 16.389 1.00 0.00 O ATOM 0 H1 GLY A 1 11.085 -33.072 19.234 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.422 -33.036 18.896 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.548 -32.915 17.631 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.544 -30.911 19.424 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.285 -30.894 19.228 1.00 0.00 H new ATOM 8 N SER A 2 9.520 -29.391 17.426 1.00 0.00 N ATOM 9 CA SER A 2 9.291 -28.632 16.208 1.00 0.00 C ATOM 10 C SER A 2 9.181 -27.141 16.534 1.00 0.00 C ATOM 11 O SER A 2 8.258 -26.721 17.230 1.00 0.00 O ATOM 12 CB SER A 2 8.030 -29.113 15.489 1.00 0.00 C ATOM 13 OG SER A 2 8.332 -29.753 14.251 1.00 0.00 O ATOM 0 H SER A 2 9.125 -28.974 18.269 1.00 0.00 H new ATOM 0 HA SER A 2 10.139 -28.790 15.541 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.488 -29.806 16.132 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.370 -28.264 15.307 1.00 0.00 H new ATOM 0 HG SER A 2 7.501 -30.047 13.823 1.00 0.00 H new ATOM 19 N SER A 3 10.136 -26.383 16.014 1.00 0.00 N ATOM 20 CA SER A 3 10.157 -24.948 16.241 1.00 0.00 C ATOM 21 C SER A 3 9.611 -24.216 15.013 1.00 0.00 C ATOM 22 O SER A 3 9.886 -24.607 13.880 1.00 0.00 O ATOM 23 CB SER A 3 11.572 -24.462 16.562 1.00 0.00 C ATOM 24 OG SER A 3 12.390 -24.393 15.398 1.00 0.00 O ATOM 0 H SER A 3 10.900 -26.735 15.437 1.00 0.00 H new ATOM 0 HA SER A 3 9.522 -24.728 17.100 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.520 -23.478 17.027 1.00 0.00 H new ATOM 0 HB3 SER A 3 12.030 -25.134 17.288 1.00 0.00 H new ATOM 0 HG SER A 3 13.284 -24.077 15.645 1.00 0.00 H new ATOM 30 N GLY A 4 8.847 -23.167 15.281 1.00 0.00 N ATOM 31 CA GLY A 4 8.260 -22.377 14.212 1.00 0.00 C ATOM 32 C GLY A 4 6.755 -22.630 14.106 1.00 0.00 C ATOM 33 O GLY A 4 6.052 -22.648 15.116 1.00 0.00 O ATOM 0 H GLY A 4 8.621 -22.846 16.222 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.442 -21.318 14.395 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.741 -22.624 13.266 1.00 0.00 H new ATOM 37 N SER A 5 6.303 -22.819 12.875 1.00 0.00 N ATOM 38 CA SER A 5 4.894 -23.070 12.625 1.00 0.00 C ATOM 39 C SER A 5 4.667 -23.340 11.136 1.00 0.00 C ATOM 40 O SER A 5 4.860 -22.455 10.304 1.00 0.00 O ATOM 41 CB SER A 5 4.034 -21.892 13.087 1.00 0.00 C ATOM 42 OG SER A 5 4.564 -20.642 12.654 1.00 0.00 O ATOM 0 H SER A 5 6.888 -22.803 12.040 1.00 0.00 H new ATOM 0 HA SER A 5 4.597 -23.949 13.197 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.021 -22.009 12.702 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.964 -21.899 14.175 1.00 0.00 H new ATOM 0 HG SER A 5 4.859 -20.717 11.722 1.00 0.00 H new ATOM 48 N SER A 6 4.261 -24.568 10.846 1.00 0.00 N ATOM 49 CA SER A 6 4.006 -24.966 9.472 1.00 0.00 C ATOM 50 C SER A 6 3.162 -23.902 8.767 1.00 0.00 C ATOM 51 O SER A 6 3.598 -23.313 7.779 1.00 0.00 O ATOM 52 CB SER A 6 3.304 -26.324 9.413 1.00 0.00 C ATOM 53 OG SER A 6 4.062 -27.345 10.056 1.00 0.00 O ATOM 0 H SER A 6 4.103 -25.300 11.539 1.00 0.00 H new ATOM 0 HA SER A 6 4.964 -25.060 8.960 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.325 -26.247 9.886 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.134 -26.599 8.372 1.00 0.00 H new ATOM 0 HG SER A 6 3.580 -28.196 9.998 1.00 0.00 H new ATOM 59 N GLY A 7 1.969 -23.687 9.302 1.00 0.00 N ATOM 60 CA GLY A 7 1.061 -22.704 8.737 1.00 0.00 C ATOM 61 C GLY A 7 1.778 -21.376 8.486 1.00 0.00 C ATOM 62 O GLY A 7 2.888 -21.164 8.972 1.00 0.00 O ATOM 0 H GLY A 7 1.610 -24.177 10.121 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.648 -23.081 7.801 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.222 -22.546 9.415 1.00 0.00 H new ATOM 66 N THR A 8 1.113 -20.515 7.728 1.00 0.00 N ATOM 67 CA THR A 8 1.673 -19.213 7.408 1.00 0.00 C ATOM 68 C THR A 8 1.051 -18.133 8.294 1.00 0.00 C ATOM 69 O THR A 8 -0.131 -18.202 8.627 1.00 0.00 O ATOM 70 CB THR A 8 1.466 -18.965 5.912 1.00 0.00 C ATOM 71 OG1 THR A 8 1.935 -20.160 5.294 1.00 0.00 O ATOM 72 CG2 THR A 8 2.390 -17.875 5.366 1.00 0.00 C ATOM 0 H THR A 8 0.192 -20.694 7.327 1.00 0.00 H new ATOM 0 HA THR A 8 2.743 -19.181 7.613 1.00 0.00 H new ATOM 0 HB THR A 8 0.428 -18.685 5.731 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.836 -20.086 4.322 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.202 -17.739 4.301 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.198 -16.939 5.891 1.00 0.00 H new ATOM 0 HG23 THR A 8 3.429 -18.169 5.517 1.00 0.00 H new ATOM 80 N PRO A 9 1.898 -17.133 8.662 1.00 0.00 N ATOM 81 CA PRO A 9 1.444 -16.039 9.503 1.00 0.00 C ATOM 82 C PRO A 9 0.577 -15.060 8.710 1.00 0.00 C ATOM 83 O PRO A 9 0.036 -15.412 7.662 1.00 0.00 O ATOM 84 CB PRO A 9 2.715 -15.405 10.043 1.00 0.00 C ATOM 85 CG PRO A 9 3.834 -15.866 9.123 1.00 0.00 C ATOM 86 CD PRO A 9 3.304 -17.019 8.286 1.00 0.00 C ATOM 0 HA PRO A 9 0.804 -16.374 10.319 1.00 0.00 H new ATOM 0 HB2 PRO A 9 2.637 -14.318 10.049 1.00 0.00 H new ATOM 0 HB3 PRO A 9 2.901 -15.717 11.071 1.00 0.00 H new ATOM 0 HG2 PRO A 9 4.162 -15.048 8.482 1.00 0.00 H new ATOM 0 HG3 PRO A 9 4.700 -16.183 9.704 1.00 0.00 H new ATOM 0 HD2 PRO A 9 3.414 -16.818 7.220 1.00 0.00 H new ATOM 0 HD3 PRO A 9 3.846 -17.942 8.494 1.00 0.00 H new ATOM 94 N PHE A 10 0.471 -13.850 9.239 1.00 0.00 N ATOM 95 CA PHE A 10 -0.321 -12.817 8.593 1.00 0.00 C ATOM 96 C PHE A 10 -0.061 -12.790 7.085 1.00 0.00 C ATOM 97 O PHE A 10 0.876 -13.422 6.601 1.00 0.00 O ATOM 98 CB PHE A 10 0.110 -11.479 9.197 1.00 0.00 C ATOM 99 CG PHE A 10 -0.229 -11.329 10.682 1.00 0.00 C ATOM 100 CD1 PHE A 10 -1.462 -10.895 11.058 1.00 0.00 C ATOM 101 CD2 PHE A 10 0.703 -11.631 11.625 1.00 0.00 C ATOM 102 CE1 PHE A 10 -1.776 -10.756 12.435 1.00 0.00 C ATOM 103 CE2 PHE A 10 0.389 -11.492 13.003 1.00 0.00 C ATOM 104 CZ PHE A 10 -0.844 -11.057 13.379 1.00 0.00 C ATOM 0 H PHE A 10 0.921 -13.562 10.108 1.00 0.00 H new ATOM 0 HA PHE A 10 -1.382 -13.010 8.748 1.00 0.00 H new ATOM 0 HB2 PHE A 10 1.186 -11.363 9.067 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.367 -10.671 8.642 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -2.202 -10.656 10.309 1.00 0.00 H new ATOM 0 HD2 PHE A 10 1.682 -11.976 11.326 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.755 -10.411 12.733 1.00 0.00 H new ATOM 0 HE2 PHE A 10 1.129 -11.732 13.752 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.083 -10.951 14.427 1.00 0.00 H new ATOM 114 N ARG A 11 -0.908 -12.050 6.385 1.00 0.00 N ATOM 115 CA ARG A 11 -0.782 -11.931 4.942 1.00 0.00 C ATOM 116 C ARG A 11 0.094 -10.729 4.583 1.00 0.00 C ATOM 117 O ARG A 11 0.374 -9.884 5.432 1.00 0.00 O ATOM 118 CB ARG A 11 -2.152 -11.771 4.280 1.00 0.00 C ATOM 119 CG ARG A 11 -2.477 -12.976 3.395 1.00 0.00 C ATOM 120 CD ARG A 11 -3.988 -13.126 3.206 1.00 0.00 C ATOM 121 NE ARG A 11 -4.367 -12.736 1.830 1.00 0.00 N ATOM 122 CZ ARG A 11 -5.577 -12.950 1.295 1.00 0.00 C ATOM 123 NH1 ARG A 11 -6.532 -13.551 2.017 1.00 0.00 N ATOM 124 NH2 ARG A 11 -5.832 -12.562 0.038 1.00 0.00 N ATOM 0 H ARG A 11 -1.684 -11.527 6.790 1.00 0.00 H new ATOM 0 HA ARG A 11 -0.318 -12.846 4.573 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.919 -11.660 5.046 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.166 -10.861 3.681 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -1.995 -12.859 2.424 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -2.071 -13.882 3.845 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -4.286 -14.157 3.396 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -4.517 -12.504 3.928 1.00 0.00 H new ATOM 0 HE ARG A 11 -3.663 -12.276 1.253 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.338 -13.846 2.974 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -7.453 -13.714 1.610 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -5.105 -12.104 -0.512 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -6.753 -12.725 -0.369 1.00 0.00 H new ATOM 138 N LYS A 12 0.501 -10.689 3.323 1.00 0.00 N ATOM 139 CA LYS A 12 1.339 -9.604 2.841 1.00 0.00 C ATOM 140 C LYS A 12 0.845 -9.158 1.463 1.00 0.00 C ATOM 141 O LYS A 12 0.355 -9.971 0.682 1.00 0.00 O ATOM 142 CB LYS A 12 2.813 -10.015 2.862 1.00 0.00 C ATOM 143 CG LYS A 12 3.283 -10.293 4.291 1.00 0.00 C ATOM 144 CD LYS A 12 4.644 -10.993 4.294 1.00 0.00 C ATOM 145 CE LYS A 12 4.635 -12.212 3.369 1.00 0.00 C ATOM 146 NZ LYS A 12 5.468 -13.297 3.934 1.00 0.00 N ATOM 0 H LYS A 12 0.266 -11.391 2.621 1.00 0.00 H new ATOM 0 HA LYS A 12 1.263 -8.741 3.503 1.00 0.00 H new ATOM 0 HB2 LYS A 12 2.955 -10.905 2.249 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.421 -9.224 2.422 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.351 -9.356 4.844 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.549 -10.914 4.805 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.417 -10.295 3.974 1.00 0.00 H new ATOM 0 HD3 LYS A 12 4.895 -11.303 5.308 1.00 0.00 H new ATOM 0 HE2 LYS A 12 3.613 -12.564 3.232 1.00 0.00 H new ATOM 0 HE3 LYS A 12 5.011 -11.932 2.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 5.451 -14.117 3.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.447 -12.963 4.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.092 -13.575 4.863 1.00 0.00 H new ATOM 160 N ALA A 13 0.991 -7.866 1.207 1.00 0.00 N ATOM 161 CA ALA A 13 0.567 -7.302 -0.062 1.00 0.00 C ATOM 162 C ALA A 13 1.728 -6.524 -0.684 1.00 0.00 C ATOM 163 O ALA A 13 2.602 -6.032 0.028 1.00 0.00 O ATOM 164 CB ALA A 13 -0.670 -6.427 0.156 1.00 0.00 C ATOM 0 H ALA A 13 1.397 -7.194 1.858 1.00 0.00 H new ATOM 0 HA ALA A 13 0.289 -8.093 -0.759 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.989 -6.003 -0.796 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.475 -7.033 0.571 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.428 -5.621 0.849 1.00 0.00 H new ATOM 170 N LYS A 14 1.700 -6.437 -2.006 1.00 0.00 N ATOM 171 CA LYS A 14 2.740 -5.727 -2.732 1.00 0.00 C ATOM 172 C LYS A 14 2.123 -4.531 -3.458 1.00 0.00 C ATOM 173 O LYS A 14 1.100 -4.666 -4.128 1.00 0.00 O ATOM 174 CB LYS A 14 3.497 -6.684 -3.655 1.00 0.00 C ATOM 175 CG LYS A 14 4.348 -5.912 -4.665 1.00 0.00 C ATOM 176 CD LYS A 14 3.770 -6.035 -6.077 1.00 0.00 C ATOM 177 CE LYS A 14 4.299 -7.288 -6.778 1.00 0.00 C ATOM 178 NZ LYS A 14 3.324 -7.769 -7.783 1.00 0.00 N ATOM 0 H LYS A 14 0.974 -6.846 -2.593 1.00 0.00 H new ATOM 0 HA LYS A 14 3.485 -5.331 -2.042 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.135 -7.339 -3.062 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.789 -7.322 -4.183 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.396 -4.862 -4.378 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.369 -6.293 -4.652 1.00 0.00 H new ATOM 0 HD2 LYS A 14 2.682 -6.074 -6.026 1.00 0.00 H new ATOM 0 HD3 LYS A 14 4.030 -5.151 -6.659 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.250 -7.067 -7.262 1.00 0.00 H new ATOM 0 HE3 LYS A 14 4.489 -8.070 -6.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 3.698 -8.620 -8.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 2.425 -7.999 -7.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 3.163 -7.027 -8.493 1.00 0.00 H new ATOM 192 N ALA A 15 2.770 -3.385 -3.301 1.00 0.00 N ATOM 193 CA ALA A 15 2.298 -2.166 -3.934 1.00 0.00 C ATOM 194 C ALA A 15 2.550 -2.247 -5.441 1.00 0.00 C ATOM 195 O ALA A 15 3.662 -2.551 -5.872 1.00 0.00 O ATOM 196 CB ALA A 15 2.985 -0.958 -3.292 1.00 0.00 C ATOM 0 H ALA A 15 3.618 -3.276 -2.744 1.00 0.00 H new ATOM 0 HA ALA A 15 1.225 -2.048 -3.786 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.631 -0.043 -3.767 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.750 -0.929 -2.228 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.064 -1.041 -3.423 1.00 0.00 H new ATOM 202 N LEU A 16 1.500 -1.971 -6.200 1.00 0.00 N ATOM 203 CA LEU A 16 1.594 -2.009 -7.650 1.00 0.00 C ATOM 204 C LEU A 16 2.204 -0.699 -8.152 1.00 0.00 C ATOM 205 O LEU A 16 3.145 -0.711 -8.944 1.00 0.00 O ATOM 206 CB LEU A 16 0.231 -2.330 -8.267 1.00 0.00 C ATOM 207 CG LEU A 16 -0.424 -3.633 -7.806 1.00 0.00 C ATOM 208 CD1 LEU A 16 -1.888 -3.696 -8.245 1.00 0.00 C ATOM 209 CD2 LEU A 16 0.373 -4.847 -8.289 1.00 0.00 C ATOM 0 H LEU A 16 0.580 -1.720 -5.839 1.00 0.00 H new ATOM 0 HA LEU A 16 2.259 -2.812 -7.968 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.449 -1.507 -8.046 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.345 -2.367 -9.350 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.414 -3.654 -6.716 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.330 -4.632 -7.904 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.434 -2.858 -7.812 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.944 -3.642 -9.332 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.114 -5.761 -7.948 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.417 -4.844 -9.378 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.385 -4.802 -7.885 1.00 0.00 H new ATOM 221 N TYR A 17 1.643 0.401 -7.670 1.00 0.00 N ATOM 222 CA TYR A 17 2.119 1.717 -8.060 1.00 0.00 C ATOM 223 C TYR A 17 2.615 2.503 -6.844 1.00 0.00 C ATOM 224 O TYR A 17 2.298 2.158 -5.706 1.00 0.00 O ATOM 225 CB TYR A 17 0.914 2.440 -8.663 1.00 0.00 C ATOM 226 CG TYR A 17 0.153 1.618 -9.706 1.00 0.00 C ATOM 227 CD1 TYR A 17 -0.794 0.699 -9.303 1.00 0.00 C ATOM 228 CD2 TYR A 17 0.415 1.795 -11.049 1.00 0.00 C ATOM 229 CE1 TYR A 17 -1.510 -0.074 -10.284 1.00 0.00 C ATOM 230 CE2 TYR A 17 -0.301 1.022 -12.031 1.00 0.00 C ATOM 231 CZ TYR A 17 -1.228 0.125 -11.599 1.00 0.00 C ATOM 232 OH TYR A 17 -1.904 -0.605 -12.526 1.00 0.00 O ATOM 0 H TYR A 17 0.863 0.407 -7.013 1.00 0.00 H new ATOM 0 HA TYR A 17 2.949 1.633 -8.761 1.00 0.00 H new ATOM 0 HB2 TYR A 17 0.229 2.714 -7.861 1.00 0.00 H new ATOM 0 HB3 TYR A 17 1.253 3.368 -9.123 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -0.998 0.560 -8.252 1.00 0.00 H new ATOM 0 HD2 TYR A 17 1.157 2.513 -11.364 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -2.254 -0.796 -9.982 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -0.107 1.151 -13.085 1.00 0.00 H new ATOM 0 HH TYR A 17 -1.600 -0.356 -13.424 1.00 0.00 H new ATOM 242 N ALA A 18 3.383 3.545 -7.126 1.00 0.00 N ATOM 243 CA ALA A 18 3.925 4.383 -6.070 1.00 0.00 C ATOM 244 C ALA A 18 2.896 5.451 -5.694 1.00 0.00 C ATOM 245 O ALA A 18 2.311 6.089 -6.568 1.00 0.00 O ATOM 246 CB ALA A 18 5.253 4.988 -6.529 1.00 0.00 C ATOM 0 H ALA A 18 3.643 3.828 -8.071 1.00 0.00 H new ATOM 0 HA ALA A 18 4.128 3.792 -5.177 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.660 5.617 -5.737 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.958 4.188 -6.756 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.089 5.591 -7.422 1.00 0.00 H new ATOM 252 N CYS A 19 2.707 5.614 -4.393 1.00 0.00 N ATOM 253 CA CYS A 19 1.759 6.594 -3.891 1.00 0.00 C ATOM 254 C CYS A 19 2.450 7.415 -2.800 1.00 0.00 C ATOM 255 O CYS A 19 3.336 6.915 -2.109 1.00 0.00 O ATOM 256 CB CYS A 19 0.477 5.932 -3.382 1.00 0.00 C ATOM 257 SG CYS A 19 -0.967 6.990 -3.763 1.00 0.00 S ATOM 0 H CYS A 19 3.195 5.084 -3.671 1.00 0.00 H new ATOM 0 HA CYS A 19 1.451 7.255 -4.701 1.00 0.00 H new ATOM 0 HB2 CYS A 19 0.354 4.954 -3.846 1.00 0.00 H new ATOM 0 HB3 CYS A 19 0.545 5.768 -2.307 1.00 0.00 H new ATOM 0 HG CYS A 19 -2.051 6.418 -3.329 1.00 0.00 H new ATOM 263 N LYS A 20 2.017 8.661 -2.679 1.00 0.00 N ATOM 264 CA LYS A 20 2.582 9.556 -1.684 1.00 0.00 C ATOM 265 C LYS A 20 1.535 9.840 -0.605 1.00 0.00 C ATOM 266 O LYS A 20 1.310 10.993 -0.241 1.00 0.00 O ATOM 267 CB LYS A 20 3.136 10.817 -2.350 1.00 0.00 C ATOM 268 CG LYS A 20 3.911 11.673 -1.346 1.00 0.00 C ATOM 269 CD LYS A 20 4.032 13.118 -1.834 1.00 0.00 C ATOM 270 CE LYS A 20 5.448 13.410 -2.335 1.00 0.00 C ATOM 271 NZ LYS A 20 5.797 14.829 -2.100 1.00 0.00 N ATOM 0 H LYS A 20 1.281 9.072 -3.254 1.00 0.00 H new ATOM 0 HA LYS A 20 3.431 9.086 -1.188 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.790 10.539 -3.177 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.317 11.399 -2.773 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.406 11.653 -0.380 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.905 11.252 -1.195 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.315 13.296 -2.635 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.781 13.802 -1.023 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.162 12.764 -1.824 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.518 13.183 -3.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.761 15.011 -2.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.126 15.440 -2.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.750 15.034 -1.082 1.00 0.00 H new ATOM 285 N ALA A 21 0.921 8.768 -0.125 1.00 0.00 N ATOM 286 CA ALA A 21 -0.097 8.888 0.905 1.00 0.00 C ATOM 287 C ALA A 21 -0.976 10.104 0.607 1.00 0.00 C ATOM 288 O ALA A 21 -0.685 11.210 1.060 1.00 0.00 O ATOM 289 CB ALA A 21 0.572 8.973 2.278 1.00 0.00 C ATOM 0 H ALA A 21 1.109 7.813 -0.430 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.742 8.009 0.912 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.192 9.063 3.050 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.160 8.072 2.453 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.226 9.845 2.311 1.00 0.00 H new ATOM 295 N GLU A 22 -2.034 9.858 -0.152 1.00 0.00 N ATOM 296 CA GLU A 22 -2.957 10.920 -0.515 1.00 0.00 C ATOM 297 C GLU A 22 -3.676 11.447 0.729 1.00 0.00 C ATOM 298 O GLU A 22 -4.359 12.468 0.670 1.00 0.00 O ATOM 299 CB GLU A 22 -3.960 10.439 -1.565 1.00 0.00 C ATOM 300 CG GLU A 22 -3.459 10.738 -2.979 1.00 0.00 C ATOM 301 CD GLU A 22 -4.253 11.883 -3.612 1.00 0.00 C ATOM 302 OE1 GLU A 22 -5.485 11.717 -3.738 1.00 0.00 O ATOM 303 OE2 GLU A 22 -3.609 12.898 -3.955 1.00 0.00 O ATOM 0 H GLU A 22 -2.272 8.939 -0.525 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.385 11.738 -0.954 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.124 9.367 -1.452 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.921 10.927 -1.405 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.401 10.999 -2.946 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.548 9.844 -3.597 1.00 0.00 H new ATOM 310 N HIS A 23 -3.497 10.726 1.826 1.00 0.00 N ATOM 311 CA HIS A 23 -4.120 11.107 3.082 1.00 0.00 C ATOM 312 C HIS A 23 -3.194 10.747 4.245 1.00 0.00 C ATOM 313 O HIS A 23 -2.624 9.657 4.275 1.00 0.00 O ATOM 314 CB HIS A 23 -5.509 10.478 3.214 1.00 0.00 C ATOM 315 CG HIS A 23 -6.060 10.494 4.619 1.00 0.00 C ATOM 316 ND1 HIS A 23 -6.813 9.456 5.141 1.00 0.00 N ATOM 317 CD2 HIS A 23 -5.958 11.430 5.606 1.00 0.00 C ATOM 318 CE1 HIS A 23 -7.146 9.765 6.385 1.00 0.00 C ATOM 319 NE2 HIS A 23 -6.615 10.989 6.672 1.00 0.00 N ATOM 0 H HIS A 23 -2.929 9.880 1.871 1.00 0.00 H new ATOM 0 HA HIS A 23 -4.270 12.186 3.103 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -6.200 11.007 2.558 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -5.464 9.447 2.864 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -5.432 12.370 5.533 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -7.734 9.155 7.055 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -6.708 11.483 7.559 1.00 0.00 H new ATOM 327 N ASP A 24 -3.072 11.683 5.175 1.00 0.00 N ATOM 328 CA ASP A 24 -2.224 11.478 6.337 1.00 0.00 C ATOM 329 C ASP A 24 -2.330 10.020 6.789 1.00 0.00 C ATOM 330 O ASP A 24 -1.348 9.280 6.747 1.00 0.00 O ATOM 331 CB ASP A 24 -2.662 12.367 7.502 1.00 0.00 C ATOM 332 CG ASP A 24 -2.187 13.819 7.422 1.00 0.00 C ATOM 333 OD1 ASP A 24 -1.187 14.050 6.709 1.00 0.00 O ATOM 334 OD2 ASP A 24 -2.834 14.665 8.076 1.00 0.00 O ATOM 0 H ASP A 24 -3.546 12.586 5.147 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.201 11.729 6.057 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.751 12.359 7.556 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.294 11.931 8.431 1.00 0.00 H new ATOM 339 N SER A 25 -3.531 9.650 7.210 1.00 0.00 N ATOM 340 CA SER A 25 -3.778 8.294 7.670 1.00 0.00 C ATOM 341 C SER A 25 -3.086 7.293 6.742 1.00 0.00 C ATOM 342 O SER A 25 -2.411 6.375 7.205 1.00 0.00 O ATOM 343 CB SER A 25 -5.278 8.002 7.742 1.00 0.00 C ATOM 344 OG SER A 25 -5.976 8.983 8.504 1.00 0.00 O ATOM 0 H SER A 25 -4.343 10.266 7.242 1.00 0.00 H new ATOM 0 HA SER A 25 -3.367 8.193 8.674 1.00 0.00 H new ATOM 0 HB2 SER A 25 -5.689 7.966 6.733 1.00 0.00 H new ATOM 0 HB3 SER A 25 -5.435 7.019 8.186 1.00 0.00 H new ATOM 0 HG SER A 25 -6.837 8.618 8.796 1.00 0.00 H new ATOM 350 N GLU A 26 -3.278 7.504 5.448 1.00 0.00 N ATOM 351 CA GLU A 26 -2.681 6.632 4.451 1.00 0.00 C ATOM 352 C GLU A 26 -1.157 6.638 4.584 1.00 0.00 C ATOM 353 O GLU A 26 -0.585 7.562 5.161 1.00 0.00 O ATOM 354 CB GLU A 26 -3.110 7.039 3.039 1.00 0.00 C ATOM 355 CG GLU A 26 -4.634 7.027 2.904 1.00 0.00 C ATOM 356 CD GLU A 26 -5.065 7.505 1.516 1.00 0.00 C ATOM 357 OE1 GLU A 26 -4.191 7.515 0.623 1.00 0.00 O ATOM 358 OE2 GLU A 26 -6.259 7.850 1.380 1.00 0.00 O ATOM 0 H GLU A 26 -3.839 8.266 5.067 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.037 5.617 4.625 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.729 8.035 2.812 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.671 6.357 2.311 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.010 6.019 3.078 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.075 7.668 3.667 1.00 0.00 H new ATOM 365 N LEU A 27 -0.543 5.597 4.041 1.00 0.00 N ATOM 366 CA LEU A 27 0.903 5.471 4.092 1.00 0.00 C ATOM 367 C LEU A 27 1.482 5.718 2.698 1.00 0.00 C ATOM 368 O LEU A 27 0.748 5.735 1.711 1.00 0.00 O ATOM 369 CB LEU A 27 1.303 4.122 4.694 1.00 0.00 C ATOM 370 CG LEU A 27 0.588 3.726 5.987 1.00 0.00 C ATOM 371 CD1 LEU A 27 0.288 2.226 6.012 1.00 0.00 C ATOM 372 CD2 LEU A 27 1.387 4.171 7.214 1.00 0.00 C ATOM 0 H LEU A 27 -1.021 4.833 3.563 1.00 0.00 H new ATOM 0 HA LEU A 27 1.328 6.227 4.752 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.122 3.346 3.950 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.376 4.136 4.885 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.369 4.246 6.020 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.220 1.972 6.942 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.351 1.969 5.167 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.221 1.667 5.944 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.857 3.877 8.120 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.369 3.699 7.199 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.505 5.254 7.198 1.00 0.00 H new ATOM 384 N SER A 28 2.794 5.902 2.661 1.00 0.00 N ATOM 385 CA SER A 28 3.479 6.147 1.403 1.00 0.00 C ATOM 386 C SER A 28 4.463 5.012 1.114 1.00 0.00 C ATOM 387 O SER A 28 4.974 4.378 2.036 1.00 0.00 O ATOM 388 CB SER A 28 4.211 7.491 1.428 1.00 0.00 C ATOM 389 OG SER A 28 3.364 8.568 1.038 1.00 0.00 O ATOM 0 H SER A 28 3.400 5.886 3.481 1.00 0.00 H new ATOM 0 HA SER A 28 2.734 6.184 0.608 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.594 7.676 2.431 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.072 7.447 0.761 1.00 0.00 H new ATOM 0 HG SER A 28 3.868 9.408 1.069 1.00 0.00 H new ATOM 395 N PHE A 29 4.700 4.790 -0.171 1.00 0.00 N ATOM 396 CA PHE A 29 5.614 3.743 -0.593 1.00 0.00 C ATOM 397 C PHE A 29 5.848 3.796 -2.104 1.00 0.00 C ATOM 398 O PHE A 29 5.317 4.669 -2.788 1.00 0.00 O ATOM 399 CB PHE A 29 4.958 2.407 -0.237 1.00 0.00 C ATOM 400 CG PHE A 29 3.456 2.355 -0.524 1.00 0.00 C ATOM 401 CD1 PHE A 29 3.011 1.977 -1.752 1.00 0.00 C ATOM 402 CD2 PHE A 29 2.566 2.687 0.449 1.00 0.00 C ATOM 403 CE1 PHE A 29 1.617 1.929 -2.019 1.00 0.00 C ATOM 404 CE2 PHE A 29 1.172 2.640 0.182 1.00 0.00 C ATOM 405 CZ PHE A 29 0.727 2.261 -1.046 1.00 0.00 C ATOM 0 H PHE A 29 4.275 5.318 -0.933 1.00 0.00 H new ATOM 0 HA PHE A 29 6.577 3.868 -0.099 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.452 1.611 -0.795 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.123 2.204 0.821 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.718 1.713 -2.525 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.919 2.986 1.425 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.264 1.629 -2.995 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.465 2.905 0.954 1.00 0.00 H new ATOM 0 HZ PHE A 29 -0.333 2.224 -1.248 1.00 0.00 H new ATOM 415 N THR A 30 6.644 2.850 -2.581 1.00 0.00 N ATOM 416 CA THR A 30 6.955 2.778 -3.998 1.00 0.00 C ATOM 417 C THR A 30 6.602 1.396 -4.552 1.00 0.00 C ATOM 418 O THR A 30 6.723 0.393 -3.851 1.00 0.00 O ATOM 419 CB THR A 30 8.430 3.146 -4.178 1.00 0.00 C ATOM 420 OG1 THR A 30 9.122 2.228 -3.337 1.00 0.00 O ATOM 421 CG2 THR A 30 8.766 4.518 -3.590 1.00 0.00 C ATOM 0 H THR A 30 7.083 2.127 -2.011 1.00 0.00 H new ATOM 0 HA THR A 30 6.356 3.486 -4.571 1.00 0.00 H new ATOM 0 HB THR A 30 8.681 3.135 -5.239 1.00 0.00 H new ATOM 0 HG1 THR A 30 10.086 2.395 -3.394 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.824 4.731 -3.744 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.166 5.282 -4.084 1.00 0.00 H new ATOM 0 HG23 THR A 30 8.547 4.520 -2.522 1.00 0.00 H new ATOM 429 N ALA A 31 6.173 1.388 -5.806 1.00 0.00 N ATOM 430 CA ALA A 31 5.802 0.146 -6.462 1.00 0.00 C ATOM 431 C ALA A 31 6.835 -0.931 -6.126 1.00 0.00 C ATOM 432 O ALA A 31 8.036 -0.668 -6.130 1.00 0.00 O ATOM 433 CB ALA A 31 5.674 0.383 -7.968 1.00 0.00 C ATOM 0 H ALA A 31 6.074 2.222 -6.385 1.00 0.00 H new ATOM 0 HA ALA A 31 4.834 -0.204 -6.104 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.396 -0.549 -8.461 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.907 1.135 -8.154 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.628 0.732 -8.364 1.00 0.00 H new ATOM 439 N GLY A 32 6.329 -2.123 -5.844 1.00 0.00 N ATOM 440 CA GLY A 32 7.192 -3.242 -5.507 1.00 0.00 C ATOM 441 C GLY A 32 7.471 -3.285 -4.003 1.00 0.00 C ATOM 442 O GLY A 32 8.412 -3.943 -3.561 1.00 0.00 O ATOM 0 H GLY A 32 5.332 -2.338 -5.842 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.723 -4.175 -5.820 1.00 0.00 H new ATOM 0 HA3 GLY A 32 8.132 -3.158 -6.053 1.00 0.00 H new ATOM 446 N THR A 33 6.636 -2.576 -3.258 1.00 0.00 N ATOM 447 CA THR A 33 6.781 -2.525 -1.813 1.00 0.00 C ATOM 448 C THR A 33 5.833 -3.524 -1.146 1.00 0.00 C ATOM 449 O THR A 33 4.615 -3.395 -1.253 1.00 0.00 O ATOM 450 CB THR A 33 6.554 -1.080 -1.365 1.00 0.00 C ATOM 451 OG1 THR A 33 7.738 -0.400 -1.774 1.00 0.00 O ATOM 452 CG2 THR A 33 6.547 -0.933 0.158 1.00 0.00 C ATOM 0 H THR A 33 5.857 -2.032 -3.628 1.00 0.00 H new ATOM 0 HA THR A 33 7.784 -2.822 -1.506 1.00 0.00 H new ATOM 0 HB THR A 33 5.608 -0.719 -1.768 1.00 0.00 H new ATOM 0 HG1 THR A 33 7.717 -0.261 -2.744 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.382 0.112 0.422 1.00 0.00 H new ATOM 0 HG22 THR A 33 5.748 -1.544 0.579 1.00 0.00 H new ATOM 0 HG23 THR A 33 7.505 -1.262 0.560 1.00 0.00 H new ATOM 460 N VAL A 34 6.429 -4.497 -0.473 1.00 0.00 N ATOM 461 CA VAL A 34 5.652 -5.518 0.211 1.00 0.00 C ATOM 462 C VAL A 34 5.302 -5.029 1.618 1.00 0.00 C ATOM 463 O VAL A 34 6.171 -4.553 2.347 1.00 0.00 O ATOM 464 CB VAL A 34 6.416 -6.844 0.211 1.00 0.00 C ATOM 465 CG1 VAL A 34 5.804 -7.828 1.209 1.00 0.00 C ATOM 466 CG2 VAL A 34 6.467 -7.447 -1.194 1.00 0.00 C ATOM 0 H VAL A 34 7.440 -4.601 -0.386 1.00 0.00 H new ATOM 0 HA VAL A 34 4.713 -5.699 -0.313 1.00 0.00 H new ATOM 0 HB VAL A 34 7.440 -6.642 0.525 1.00 0.00 H new ATOM 0 HG11 VAL A 34 6.365 -8.762 1.190 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.844 -7.402 2.211 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.766 -8.022 0.938 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.015 -8.389 -1.166 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.453 -7.628 -1.549 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.969 -6.754 -1.869 1.00 0.00 H new ATOM 476 N PHE A 35 4.028 -5.163 1.956 1.00 0.00 N ATOM 477 CA PHE A 35 3.553 -4.740 3.263 1.00 0.00 C ATOM 478 C PHE A 35 3.397 -5.937 4.203 1.00 0.00 C ATOM 479 O PHE A 35 2.866 -6.975 3.810 1.00 0.00 O ATOM 480 CB PHE A 35 2.184 -4.091 3.052 1.00 0.00 C ATOM 481 CG PHE A 35 2.216 -2.845 2.164 1.00 0.00 C ATOM 482 CD1 PHE A 35 2.090 -2.969 0.815 1.00 0.00 C ATOM 483 CD2 PHE A 35 2.370 -1.615 2.723 1.00 0.00 C ATOM 484 CE1 PHE A 35 2.120 -1.813 -0.009 1.00 0.00 C ATOM 485 CE2 PHE A 35 2.400 -0.459 1.899 1.00 0.00 C ATOM 486 CZ PHE A 35 2.274 -0.583 0.550 1.00 0.00 C ATOM 0 H PHE A 35 3.310 -5.558 1.348 1.00 0.00 H new ATOM 0 HA PHE A 35 4.266 -4.049 3.713 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.510 -4.824 2.608 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.767 -3.822 4.023 1.00 0.00 H new ATOM 0 HD1 PHE A 35 1.967 -3.946 0.371 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.470 -1.517 3.794 1.00 0.00 H new ATOM 0 HE1 PHE A 35 2.020 -1.911 -1.080 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.523 0.518 2.343 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.296 0.296 -0.077 1.00 0.00 H new ATOM 496 N ASP A 36 3.871 -5.754 5.426 1.00 0.00 N ATOM 497 CA ASP A 36 3.791 -6.806 6.425 1.00 0.00 C ATOM 498 C ASP A 36 2.458 -6.698 7.168 1.00 0.00 C ATOM 499 O ASP A 36 2.096 -5.625 7.650 1.00 0.00 O ATOM 500 CB ASP A 36 4.917 -6.675 7.454 1.00 0.00 C ATOM 501 CG ASP A 36 6.059 -7.680 7.293 1.00 0.00 C ATOM 502 OD1 ASP A 36 6.333 -8.047 6.130 1.00 0.00 O ATOM 503 OD2 ASP A 36 6.633 -8.059 8.337 1.00 0.00 O ATOM 0 H ASP A 36 4.312 -4.893 5.748 1.00 0.00 H new ATOM 0 HA ASP A 36 3.879 -7.764 5.913 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.328 -5.667 7.394 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.492 -6.787 8.452 1.00 0.00 H new ATOM 508 N ASN A 37 1.763 -7.823 7.237 1.00 0.00 N ATOM 509 CA ASN A 37 0.477 -7.869 7.913 1.00 0.00 C ATOM 510 C ASN A 37 -0.500 -6.929 7.204 1.00 0.00 C ATOM 511 O ASN A 37 -0.649 -5.772 7.594 1.00 0.00 O ATOM 512 CB ASN A 37 0.602 -7.411 9.367 1.00 0.00 C ATOM 513 CG ASN A 37 -0.361 -8.183 10.270 1.00 0.00 C ATOM 514 OD1 ASN A 37 -1.405 -8.653 9.850 1.00 0.00 O ATOM 515 ND2 ASN A 37 0.046 -8.287 11.532 1.00 0.00 N ATOM 0 H ASN A 37 2.066 -8.711 6.836 1.00 0.00 H new ATOM 0 HA ASN A 37 0.120 -8.899 7.889 1.00 0.00 H new ATOM 0 HB2 ASN A 37 1.626 -7.558 9.711 1.00 0.00 H new ATOM 0 HB3 ASN A 37 0.393 -6.343 9.435 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -0.528 -8.784 12.214 1.00 0.00 H new ATOM 0 HD22 ASN A 37 0.932 -7.870 11.818 1.00 0.00 H new ATOM 522 N VAL A 38 -1.142 -7.462 6.174 1.00 0.00 N ATOM 523 CA VAL A 38 -2.101 -6.686 5.407 1.00 0.00 C ATOM 524 C VAL A 38 -3.505 -7.247 5.636 1.00 0.00 C ATOM 525 O VAL A 38 -3.684 -8.460 5.736 1.00 0.00 O ATOM 526 CB VAL A 38 -1.698 -6.667 3.931 1.00 0.00 C ATOM 527 CG1 VAL A 38 -2.771 -5.987 3.078 1.00 0.00 C ATOM 528 CG2 VAL A 38 -0.338 -5.992 3.742 1.00 0.00 C ATOM 0 H VAL A 38 -1.016 -8.422 5.853 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.107 -5.649 5.742 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.608 -7.700 3.595 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.459 -5.987 2.033 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.711 -6.529 3.176 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.907 -4.960 3.416 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.076 -5.992 2.684 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.388 -4.965 4.103 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.420 -6.538 4.304 1.00 0.00 H new ATOM 538 N HIS A 39 -4.466 -6.338 5.713 1.00 0.00 N ATOM 539 CA HIS A 39 -5.849 -6.728 5.929 1.00 0.00 C ATOM 540 C HIS A 39 -6.778 -5.614 5.441 1.00 0.00 C ATOM 541 O HIS A 39 -6.333 -4.495 5.190 1.00 0.00 O ATOM 542 CB HIS A 39 -6.087 -7.099 7.394 1.00 0.00 C ATOM 543 CG HIS A 39 -6.503 -5.936 8.262 1.00 0.00 C ATOM 544 ND1 HIS A 39 -7.764 -5.369 8.202 1.00 0.00 N ATOM 545 CD2 HIS A 39 -5.813 -5.240 9.211 1.00 0.00 C ATOM 546 CE1 HIS A 39 -7.820 -4.377 9.079 1.00 0.00 C ATOM 547 NE2 HIS A 39 -6.609 -4.299 9.703 1.00 0.00 N ATOM 0 H HIS A 39 -4.314 -5.333 5.630 1.00 0.00 H new ATOM 0 HA HIS A 39 -6.073 -7.622 5.348 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -6.857 -7.869 7.443 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -5.174 -7.535 7.801 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -4.792 -5.424 9.511 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -8.673 -3.742 9.267 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -6.357 -3.628 10.428 1.00 0.00 H new ATOM 555 N PRO A 40 -8.085 -5.969 5.318 1.00 0.00 N ATOM 556 CA PRO A 40 -9.081 -5.013 4.864 1.00 0.00 C ATOM 557 C PRO A 40 -9.421 -4.011 5.969 1.00 0.00 C ATOM 558 O PRO A 40 -9.961 -4.386 7.008 1.00 0.00 O ATOM 559 CB PRO A 40 -10.272 -5.857 4.440 1.00 0.00 C ATOM 560 CG PRO A 40 -10.080 -7.212 5.101 1.00 0.00 C ATOM 561 CD PRO A 40 -8.648 -7.285 5.606 1.00 0.00 C ATOM 0 HA PRO A 40 -8.729 -4.400 4.034 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -11.208 -5.398 4.756 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -10.315 -5.954 3.355 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -10.782 -7.338 5.925 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -10.276 -8.015 4.390 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -8.615 -7.505 6.673 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -8.090 -8.073 5.101 1.00 0.00 H new ATOM 569 N SER A 41 -9.091 -2.755 5.706 1.00 0.00 N ATOM 570 CA SER A 41 -9.355 -1.695 6.665 1.00 0.00 C ATOM 571 C SER A 41 -10.864 -1.484 6.809 1.00 0.00 C ATOM 572 O SER A 41 -11.655 -2.179 6.174 1.00 0.00 O ATOM 573 CB SER A 41 -8.674 -0.391 6.247 1.00 0.00 C ATOM 574 OG SER A 41 -8.256 0.378 7.371 1.00 0.00 O ATOM 0 H SER A 41 -8.643 -2.447 4.843 1.00 0.00 H new ATOM 0 HA SER A 41 -8.943 -1.995 7.628 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.810 -0.617 5.622 1.00 0.00 H new ATOM 0 HB3 SER A 41 -9.361 0.198 5.640 1.00 0.00 H new ATOM 0 HG SER A 41 -8.365 -0.152 8.188 1.00 0.00 H new ATOM 580 N GLN A 42 -11.216 -0.521 7.648 1.00 0.00 N ATOM 581 CA GLN A 42 -12.616 -0.209 7.884 1.00 0.00 C ATOM 582 C GLN A 42 -13.209 0.515 6.673 1.00 0.00 C ATOM 583 O GLN A 42 -14.389 0.351 6.364 1.00 0.00 O ATOM 584 CB GLN A 42 -12.786 0.622 9.157 1.00 0.00 C ATOM 585 CG GLN A 42 -14.148 0.361 9.804 1.00 0.00 C ATOM 586 CD GLN A 42 -14.135 -0.945 10.601 1.00 0.00 C ATOM 587 OE1 GLN A 42 -13.166 -1.686 10.612 1.00 0.00 O ATOM 588 NE2 GLN A 42 -15.261 -1.184 11.266 1.00 0.00 N ATOM 0 H GLN A 42 -10.556 0.054 8.173 1.00 0.00 H new ATOM 0 HA GLN A 42 -13.158 -1.144 8.026 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -11.992 0.379 9.863 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -12.689 1.681 8.920 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -14.407 1.190 10.462 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -14.918 0.313 9.034 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -16.035 -0.521 11.214 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -15.351 -2.030 11.829 1.00 0.00 H new ATOM 597 N GLU A 43 -12.364 1.300 6.021 1.00 0.00 N ATOM 598 CA GLU A 43 -12.791 2.050 4.851 1.00 0.00 C ATOM 599 C GLU A 43 -12.970 1.111 3.656 1.00 0.00 C ATOM 600 O GLU A 43 -12.325 0.067 3.580 1.00 0.00 O ATOM 601 CB GLU A 43 -11.799 3.168 4.526 1.00 0.00 C ATOM 602 CG GLU A 43 -12.140 4.445 5.296 1.00 0.00 C ATOM 603 CD GLU A 43 -12.122 4.196 6.806 1.00 0.00 C ATOM 604 OE1 GLU A 43 -13.190 3.814 7.331 1.00 0.00 O ATOM 605 OE2 GLU A 43 -11.040 4.392 7.400 1.00 0.00 O ATOM 0 H GLU A 43 -11.386 1.433 6.280 1.00 0.00 H new ATOM 0 HA GLU A 43 -13.752 2.514 5.071 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -10.788 2.847 4.777 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -11.812 3.370 3.455 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -11.424 5.228 5.044 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -13.124 4.804 4.995 1.00 0.00 H new ATOM 612 N PRO A 44 -13.873 1.528 2.729 1.00 0.00 N ATOM 613 CA PRO A 44 -14.146 0.737 1.541 1.00 0.00 C ATOM 614 C PRO A 44 -13.003 0.853 0.530 1.00 0.00 C ATOM 615 O PRO A 44 -12.583 1.957 0.187 1.00 0.00 O ATOM 616 CB PRO A 44 -15.466 1.270 1.008 1.00 0.00 C ATOM 617 CG PRO A 44 -15.650 2.639 1.643 1.00 0.00 C ATOM 618 CD PRO A 44 -14.656 2.760 2.786 1.00 0.00 C ATOM 0 HA PRO A 44 -14.219 -0.330 1.754 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -15.447 1.343 -0.079 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -16.289 0.605 1.268 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -15.484 3.426 0.908 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -16.670 2.756 2.010 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -14.021 3.638 2.668 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -15.165 2.862 3.744 1.00 0.00 H new ATOM 626 N GLY A 45 -12.533 -0.302 0.083 1.00 0.00 N ATOM 627 CA GLY A 45 -11.446 -0.344 -0.882 1.00 0.00 C ATOM 628 C GLY A 45 -10.164 0.243 -0.289 1.00 0.00 C ATOM 629 O GLY A 45 -9.372 0.859 -1.001 1.00 0.00 O ATOM 0 H GLY A 45 -12.884 -1.215 0.370 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -11.269 -1.374 -1.192 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -11.726 0.214 -1.776 1.00 0.00 H new ATOM 633 N TRP A 46 -9.999 0.033 1.009 1.00 0.00 N ATOM 634 CA TRP A 46 -8.827 0.533 1.705 1.00 0.00 C ATOM 635 C TRP A 46 -8.302 -0.583 2.611 1.00 0.00 C ATOM 636 O TRP A 46 -9.025 -1.078 3.474 1.00 0.00 O ATOM 637 CB TRP A 46 -9.150 1.820 2.468 1.00 0.00 C ATOM 638 CG TRP A 46 -9.321 3.048 1.572 1.00 0.00 C ATOM 639 CD1 TRP A 46 -10.462 3.644 1.199 1.00 0.00 C ATOM 640 CD2 TRP A 46 -8.267 3.812 0.949 1.00 0.00 C ATOM 641 NE1 TRP A 46 -10.222 4.731 0.383 1.00 0.00 N ATOM 642 CE2 TRP A 46 -8.845 4.836 0.227 1.00 0.00 C ATOM 643 CE3 TRP A 46 -6.872 3.642 0.994 1.00 0.00 C ATOM 644 CZ2 TRP A 46 -8.103 5.771 -0.505 1.00 0.00 C ATOM 645 CZ3 TRP A 46 -6.145 4.585 0.257 1.00 0.00 C ATOM 646 CH2 TRP A 46 -6.711 5.622 -0.475 1.00 0.00 C ATOM 0 H TRP A 46 -10.658 -0.477 1.597 1.00 0.00 H new ATOM 0 HA TRP A 46 -8.044 0.803 0.996 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -10.065 1.671 3.041 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -8.353 2.015 3.186 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -11.446 3.315 1.499 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -10.925 5.344 -0.029 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -6.399 2.848 1.552 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -8.579 6.564 -1.063 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -5.068 4.500 0.257 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -6.080 6.310 -1.018 1.00 0.00 H new ATOM 657 N LEU A 47 -7.049 -0.946 2.382 1.00 0.00 N ATOM 658 CA LEU A 47 -6.419 -1.995 3.167 1.00 0.00 C ATOM 659 C LEU A 47 -5.664 -1.365 4.339 1.00 0.00 C ATOM 660 O LEU A 47 -5.251 -0.209 4.267 1.00 0.00 O ATOM 661 CB LEU A 47 -5.544 -2.878 2.275 1.00 0.00 C ATOM 662 CG LEU A 47 -6.253 -3.560 1.103 1.00 0.00 C ATOM 663 CD1 LEU A 47 -5.268 -4.382 0.270 1.00 0.00 C ATOM 664 CD2 LEU A 47 -7.433 -4.402 1.591 1.00 0.00 C ATOM 0 H LEU A 47 -6.453 -0.533 1.665 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.172 -2.658 3.592 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.733 -2.268 1.878 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.088 -3.649 2.896 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.658 -2.786 0.451 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.798 -4.856 -0.556 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.491 -3.728 -0.125 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.813 -5.149 0.897 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -7.919 -4.876 0.738 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -7.073 -5.170 2.276 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.148 -3.761 2.107 1.00 0.00 H new ATOM 676 N GLU A 48 -5.508 -2.154 5.393 1.00 0.00 N ATOM 677 CA GLU A 48 -4.810 -1.688 6.579 1.00 0.00 C ATOM 678 C GLU A 48 -3.676 -2.649 6.939 1.00 0.00 C ATOM 679 O GLU A 48 -3.919 -3.729 7.475 1.00 0.00 O ATOM 680 CB GLU A 48 -5.777 -1.517 7.752 1.00 0.00 C ATOM 681 CG GLU A 48 -5.299 -0.417 8.702 1.00 0.00 C ATOM 682 CD GLU A 48 -6.483 0.343 9.301 1.00 0.00 C ATOM 683 OE1 GLU A 48 -7.438 -0.340 9.730 1.00 0.00 O ATOM 684 OE2 GLU A 48 -6.407 1.591 9.317 1.00 0.00 O ATOM 0 H GLU A 48 -5.853 -3.112 5.450 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.377 -0.711 6.362 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.770 -1.271 7.376 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.865 -2.458 8.295 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.702 -0.856 9.501 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.652 0.276 8.165 1.00 0.00 H new ATOM 691 N GLY A 49 -2.460 -2.221 6.631 1.00 0.00 N ATOM 692 CA GLY A 49 -1.287 -3.030 6.916 1.00 0.00 C ATOM 693 C GLY A 49 -0.127 -2.161 7.404 1.00 0.00 C ATOM 694 O GLY A 49 -0.298 -0.966 7.640 1.00 0.00 O ATOM 0 H GLY A 49 -2.262 -1.324 6.187 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.530 -3.776 7.673 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.988 -3.572 6.019 1.00 0.00 H new ATOM 698 N THR A 50 1.028 -2.795 7.542 1.00 0.00 N ATOM 699 CA THR A 50 2.217 -2.095 7.998 1.00 0.00 C ATOM 700 C THR A 50 3.276 -2.067 6.895 1.00 0.00 C ATOM 701 O THR A 50 3.416 -3.028 6.139 1.00 0.00 O ATOM 702 CB THR A 50 2.697 -2.768 9.285 1.00 0.00 C ATOM 703 OG1 THR A 50 1.602 -2.620 10.184 1.00 0.00 O ATOM 704 CG2 THR A 50 3.837 -1.999 9.958 1.00 0.00 C ATOM 0 H THR A 50 1.166 -3.786 7.346 1.00 0.00 H new ATOM 0 HA THR A 50 2.000 -1.051 8.222 1.00 0.00 H new ATOM 0 HB THR A 50 3.025 -3.783 9.062 1.00 0.00 H new ATOM 0 HG1 THR A 50 1.809 -1.922 10.840 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.140 -2.519 10.867 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.685 -1.935 9.276 1.00 0.00 H new ATOM 0 HG23 THR A 50 3.499 -0.994 10.211 1.00 0.00 H new ATOM 712 N LEU A 51 3.996 -0.956 6.837 1.00 0.00 N ATOM 713 CA LEU A 51 5.039 -0.791 5.838 1.00 0.00 C ATOM 714 C LEU A 51 6.396 -0.690 6.537 1.00 0.00 C ATOM 715 O LEU A 51 7.245 -1.566 6.381 1.00 0.00 O ATOM 716 CB LEU A 51 4.725 0.398 4.928 1.00 0.00 C ATOM 717 CG LEU A 51 5.932 1.095 4.296 1.00 0.00 C ATOM 718 CD1 LEU A 51 6.644 0.169 3.308 1.00 0.00 C ATOM 719 CD2 LEU A 51 5.523 2.419 3.647 1.00 0.00 C ATOM 0 H LEU A 51 3.878 -0.161 7.465 1.00 0.00 H new ATOM 0 HA LEU A 51 5.082 -1.661 5.183 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.069 0.055 4.128 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.166 1.135 5.505 1.00 0.00 H new ATOM 0 HG LEU A 51 6.643 1.330 5.087 1.00 0.00 H new ATOM 0 HD11 LEU A 51 7.498 0.688 2.873 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.990 -0.723 3.830 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.953 -0.119 2.516 1.00 0.00 H new ATOM 0 HD21 LEU A 51 6.399 2.894 3.206 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.783 2.230 2.870 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.095 3.078 4.403 1.00 0.00 H new ATOM 731 N ASN A 52 6.558 0.387 7.292 1.00 0.00 N ATOM 732 CA ASN A 52 7.798 0.614 8.015 1.00 0.00 C ATOM 733 C ASN A 52 7.477 1.041 9.448 1.00 0.00 C ATOM 734 O ASN A 52 7.441 2.232 9.751 1.00 0.00 O ATOM 735 CB ASN A 52 8.620 1.727 7.362 1.00 0.00 C ATOM 736 CG ASN A 52 9.891 1.167 6.721 1.00 0.00 C ATOM 737 OD1 ASN A 52 10.601 0.356 7.294 1.00 0.00 O ATOM 738 ND2 ASN A 52 10.139 1.643 5.505 1.00 0.00 N ATOM 0 H ASN A 52 5.851 1.112 7.419 1.00 0.00 H new ATOM 0 HA ASN A 52 8.371 -0.313 8.001 1.00 0.00 H new ATOM 0 HB2 ASN A 52 8.019 2.232 6.605 1.00 0.00 H new ATOM 0 HB3 ASN A 52 8.885 2.475 8.110 1.00 0.00 H new ATOM 0 HD21 ASN A 52 10.965 1.331 4.994 1.00 0.00 H new ATOM 0 HD22 ASN A 52 9.504 2.320 5.083 1.00 0.00 H new ATOM 745 N GLY A 53 7.251 0.045 10.292 1.00 0.00 N ATOM 746 CA GLY A 53 6.934 0.302 11.686 1.00 0.00 C ATOM 747 C GLY A 53 5.840 1.365 11.812 1.00 0.00 C ATOM 748 O GLY A 53 5.738 2.037 12.838 1.00 0.00 O ATOM 0 H GLY A 53 7.281 -0.942 10.037 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.606 -0.621 12.164 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.830 0.633 12.212 1.00 0.00 H new ATOM 752 N LYS A 54 5.050 1.483 10.755 1.00 0.00 N ATOM 753 CA LYS A 54 3.968 2.453 10.735 1.00 0.00 C ATOM 754 C LYS A 54 2.752 1.838 10.039 1.00 0.00 C ATOM 755 O LYS A 54 2.861 1.328 8.926 1.00 0.00 O ATOM 756 CB LYS A 54 4.437 3.766 10.107 1.00 0.00 C ATOM 757 CG LYS A 54 3.647 4.953 10.663 1.00 0.00 C ATOM 758 CD LYS A 54 3.496 6.053 9.610 1.00 0.00 C ATOM 759 CE LYS A 54 4.782 6.873 9.486 1.00 0.00 C ATOM 760 NZ LYS A 54 4.938 7.773 10.650 1.00 0.00 N ATOM 0 H LYS A 54 5.137 0.923 9.907 1.00 0.00 H new ATOM 0 HA LYS A 54 3.662 2.704 11.751 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.500 3.908 10.303 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.316 3.719 9.025 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.662 4.618 10.988 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.154 5.353 11.541 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.250 5.607 8.646 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.667 6.708 9.879 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.641 6.205 9.418 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.760 7.458 8.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.647 8.502 10.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.027 8.228 10.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.250 7.222 11.475 1.00 0.00 H new ATOM 774 N THR A 55 1.620 1.907 10.725 1.00 0.00 N ATOM 775 CA THR A 55 0.385 1.364 10.187 1.00 0.00 C ATOM 776 C THR A 55 -0.552 2.494 9.756 1.00 0.00 C ATOM 777 O THR A 55 -0.610 3.538 10.404 1.00 0.00 O ATOM 778 CB THR A 55 -0.225 0.439 11.243 1.00 0.00 C ATOM 779 OG1 THR A 55 0.634 -0.698 11.246 1.00 0.00 O ATOM 780 CG2 THR A 55 -1.583 -0.121 10.817 1.00 0.00 C ATOM 0 H THR A 55 1.533 2.331 11.649 1.00 0.00 H new ATOM 0 HA THR A 55 0.571 0.777 9.288 1.00 0.00 H new ATOM 0 HB THR A 55 -0.335 0.983 12.181 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.311 -1.354 10.593 1.00 0.00 H new ATOM 0 HG21 THR A 55 -1.971 -0.770 11.602 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.279 0.701 10.649 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.468 -0.693 9.896 1.00 0.00 H new ATOM 788 N GLY A 56 -1.262 2.248 8.665 1.00 0.00 N ATOM 789 CA GLY A 56 -2.193 3.232 8.140 1.00 0.00 C ATOM 790 C GLY A 56 -3.096 2.616 7.069 1.00 0.00 C ATOM 791 O GLY A 56 -3.158 1.395 6.931 1.00 0.00 O ATOM 0 H GLY A 56 -1.211 1.381 8.130 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.803 3.629 8.951 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.641 4.071 7.717 1.00 0.00 H new ATOM 795 N LEU A 57 -3.773 3.489 6.338 1.00 0.00 N ATOM 796 CA LEU A 57 -4.669 3.047 5.283 1.00 0.00 C ATOM 797 C LEU A 57 -3.879 2.884 3.983 1.00 0.00 C ATOM 798 O LEU A 57 -2.965 3.661 3.706 1.00 0.00 O ATOM 799 CB LEU A 57 -5.864 3.995 5.162 1.00 0.00 C ATOM 800 CG LEU A 57 -6.775 4.085 6.388 1.00 0.00 C ATOM 801 CD1 LEU A 57 -7.966 5.007 6.119 1.00 0.00 C ATOM 802 CD2 LEU A 57 -7.219 2.694 6.845 1.00 0.00 C ATOM 0 H LEU A 57 -3.719 4.501 6.455 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.089 2.071 5.525 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.489 4.994 4.938 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.466 3.682 4.309 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.205 4.525 7.206 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -8.598 5.054 7.006 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -7.605 6.007 5.878 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -8.545 4.618 5.281 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.865 2.787 7.718 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.765 2.203 6.039 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.343 2.099 7.104 1.00 0.00 H new ATOM 814 N ILE A 58 -4.259 1.870 3.220 1.00 0.00 N ATOM 815 CA ILE A 58 -3.597 1.596 1.955 1.00 0.00 C ATOM 816 C ILE A 58 -4.652 1.347 0.876 1.00 0.00 C ATOM 817 O ILE A 58 -5.676 0.718 1.137 1.00 0.00 O ATOM 818 CB ILE A 58 -2.596 0.450 2.112 1.00 0.00 C ATOM 819 CG1 ILE A 58 -1.529 0.793 3.154 1.00 0.00 C ATOM 820 CG2 ILE A 58 -1.980 0.072 0.764 1.00 0.00 C ATOM 821 CD1 ILE A 58 -1.025 -0.468 3.858 1.00 0.00 C ATOM 0 H ILE A 58 -5.017 1.228 3.453 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.012 2.459 1.636 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.133 -0.425 2.477 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.695 1.302 2.671 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.942 1.484 3.889 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.272 -0.745 0.904 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.768 -0.243 0.080 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.461 0.935 0.347 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.268 -0.196 4.593 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.857 -0.962 4.360 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.590 -1.146 3.123 1.00 0.00 H new ATOM 833 N PRO A 59 -4.359 1.868 -0.346 1.00 0.00 N ATOM 834 CA PRO A 59 -5.270 1.709 -1.466 1.00 0.00 C ATOM 835 C PRO A 59 -5.213 0.284 -2.021 1.00 0.00 C ATOM 836 O PRO A 59 -4.154 -0.182 -2.438 1.00 0.00 O ATOM 837 CB PRO A 59 -4.838 2.758 -2.477 1.00 0.00 C ATOM 838 CG PRO A 59 -3.421 3.150 -2.091 1.00 0.00 C ATOM 839 CD PRO A 59 -3.156 2.619 -0.692 1.00 0.00 C ATOM 0 HA PRO A 59 -6.313 1.853 -1.184 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -4.871 2.360 -3.491 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -5.503 3.622 -2.452 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -2.704 2.735 -2.799 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -3.304 4.233 -2.117 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -2.272 1.982 -0.671 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -2.980 3.431 0.013 1.00 0.00 H new ATOM 847 N GLU A 60 -6.366 -0.368 -2.008 1.00 0.00 N ATOM 848 CA GLU A 60 -6.461 -1.731 -2.505 1.00 0.00 C ATOM 849 C GLU A 60 -6.200 -1.765 -4.013 1.00 0.00 C ATOM 850 O GLU A 60 -5.828 -2.803 -4.558 1.00 0.00 O ATOM 851 CB GLU A 60 -7.822 -2.343 -2.170 1.00 0.00 C ATOM 852 CG GLU A 60 -8.102 -3.569 -3.043 1.00 0.00 C ATOM 853 CD GLU A 60 -8.982 -4.579 -2.303 1.00 0.00 C ATOM 854 OE1 GLU A 60 -8.435 -5.261 -1.410 1.00 0.00 O ATOM 855 OE2 GLU A 60 -10.181 -4.646 -2.648 1.00 0.00 O ATOM 0 H GLU A 60 -7.243 0.022 -1.661 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.698 -2.332 -2.010 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.848 -2.628 -1.118 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.605 -1.600 -2.318 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.594 -3.259 -3.965 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.161 -4.040 -3.327 1.00 0.00 H new ATOM 862 N ASN A 61 -6.406 -0.618 -4.643 1.00 0.00 N ATOM 863 CA ASN A 61 -6.198 -0.504 -6.076 1.00 0.00 C ATOM 864 C ASN A 61 -4.739 -0.130 -6.347 1.00 0.00 C ATOM 865 O ASN A 61 -4.403 0.324 -7.440 1.00 0.00 O ATOM 866 CB ASN A 61 -7.085 0.589 -6.676 1.00 0.00 C ATOM 867 CG ASN A 61 -6.967 1.890 -5.879 1.00 0.00 C ATOM 868 OD1 ASN A 61 -7.428 2.003 -4.755 1.00 0.00 O ATOM 869 ND2 ASN A 61 -6.326 2.862 -6.522 1.00 0.00 N ATOM 0 H ASN A 61 -6.715 0.241 -4.187 1.00 0.00 H new ATOM 0 HA ASN A 61 -6.449 -1.462 -6.530 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -6.799 0.766 -7.713 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -8.123 0.256 -6.684 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -6.195 3.769 -6.075 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -5.965 2.700 -7.462 1.00 0.00 H new ATOM 876 N TYR A 62 -3.911 -0.336 -5.334 1.00 0.00 N ATOM 877 CA TYR A 62 -2.496 -0.026 -5.449 1.00 0.00 C ATOM 878 C TYR A 62 -1.641 -1.126 -4.815 1.00 0.00 C ATOM 879 O TYR A 62 -0.434 -0.960 -4.648 1.00 0.00 O ATOM 880 CB TYR A 62 -2.285 1.277 -4.676 1.00 0.00 C ATOM 881 CG TYR A 62 -1.857 2.457 -5.551 1.00 0.00 C ATOM 882 CD1 TYR A 62 -2.611 2.808 -6.653 1.00 0.00 C ATOM 883 CD2 TYR A 62 -0.718 3.170 -5.239 1.00 0.00 C ATOM 884 CE1 TYR A 62 -2.209 3.919 -7.477 1.00 0.00 C ATOM 885 CE2 TYR A 62 -0.316 4.281 -6.063 1.00 0.00 C ATOM 886 CZ TYR A 62 -1.081 4.600 -7.141 1.00 0.00 C ATOM 887 OH TYR A 62 -0.701 5.649 -7.919 1.00 0.00 O ATOM 0 H TYR A 62 -4.193 -0.714 -4.429 1.00 0.00 H new ATOM 0 HA TYR A 62 -2.205 0.058 -6.496 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -3.210 1.536 -4.162 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -1.528 1.114 -3.908 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -3.502 2.249 -6.897 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -0.128 2.895 -4.377 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -2.790 4.204 -8.342 1.00 0.00 H new ATOM 0 HE2 TYR A 62 0.573 4.848 -5.830 1.00 0.00 H new ATOM 0 HH TYR A 62 0.198 5.941 -7.659 1.00 0.00 H new ATOM 897 N VAL A 63 -2.301 -2.224 -4.478 1.00 0.00 N ATOM 898 CA VAL A 63 -1.617 -3.350 -3.866 1.00 0.00 C ATOM 899 C VAL A 63 -1.980 -4.632 -4.617 1.00 0.00 C ATOM 900 O VAL A 63 -2.867 -4.626 -5.471 1.00 0.00 O ATOM 901 CB VAL A 63 -1.950 -3.417 -2.374 1.00 0.00 C ATOM 902 CG1 VAL A 63 -1.270 -2.279 -1.609 1.00 0.00 C ATOM 903 CG2 VAL A 63 -3.463 -3.401 -2.149 1.00 0.00 C ATOM 0 H VAL A 63 -3.303 -2.358 -4.617 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.537 -3.225 -3.939 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.563 -4.360 -1.986 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.523 -2.350 -0.551 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.189 -2.354 -1.730 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.613 -1.321 -2.001 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.672 -3.450 -1.080 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.882 -2.482 -2.560 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.914 -4.260 -2.646 1.00 0.00 H new ATOM 913 N GLU A 64 -1.278 -5.702 -4.273 1.00 0.00 N ATOM 914 CA GLU A 64 -1.516 -6.988 -4.905 1.00 0.00 C ATOM 915 C GLU A 64 -1.141 -8.125 -3.951 1.00 0.00 C ATOM 916 O GLU A 64 -0.016 -8.623 -3.986 1.00 0.00 O ATOM 917 CB GLU A 64 -0.748 -7.103 -6.223 1.00 0.00 C ATOM 918 CG GLU A 64 -0.586 -8.566 -6.638 1.00 0.00 C ATOM 919 CD GLU A 64 -0.715 -8.724 -8.154 1.00 0.00 C ATOM 920 OE1 GLU A 64 -0.059 -7.932 -8.865 1.00 0.00 O ATOM 921 OE2 GLU A 64 -1.467 -9.633 -8.568 1.00 0.00 O ATOM 0 H GLU A 64 -0.544 -5.704 -3.565 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.579 -7.067 -5.134 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.276 -6.556 -7.004 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.233 -6.641 -6.118 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.387 -8.934 -6.312 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.341 -9.175 -6.140 1.00 0.00 H new ATOM 928 N PHE A 65 -2.103 -8.502 -3.123 1.00 0.00 N ATOM 929 CA PHE A 65 -1.888 -9.570 -2.162 1.00 0.00 C ATOM 930 C PHE A 65 -1.042 -10.692 -2.769 1.00 0.00 C ATOM 931 O PHE A 65 -1.277 -11.107 -3.903 1.00 0.00 O ATOM 932 CB PHE A 65 -3.265 -10.127 -1.796 1.00 0.00 C ATOM 933 CG PHE A 65 -4.036 -9.269 -0.791 1.00 0.00 C ATOM 934 CD1 PHE A 65 -3.855 -9.458 0.544 1.00 0.00 C ATOM 935 CD2 PHE A 65 -4.903 -8.319 -1.232 1.00 0.00 C ATOM 936 CE1 PHE A 65 -4.571 -8.661 1.477 1.00 0.00 C ATOM 937 CE2 PHE A 65 -5.618 -7.522 -0.299 1.00 0.00 C ATOM 938 CZ PHE A 65 -5.437 -7.710 1.035 1.00 0.00 C ATOM 0 H PHE A 65 -3.034 -8.087 -3.098 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.360 -9.184 -1.290 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -3.859 -10.226 -2.705 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -3.143 -11.129 -1.384 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.167 -10.214 0.894 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -5.048 -8.170 -2.292 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.428 -8.810 2.537 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -6.306 -6.766 -0.649 1.00 0.00 H new ATOM 0 HZ PHE A 65 -5.981 -7.104 1.744 1.00 0.00 H new ATOM 948 N LEU A 66 -0.076 -11.150 -1.987 1.00 0.00 N ATOM 949 CA LEU A 66 0.806 -12.215 -2.434 1.00 0.00 C ATOM 950 C LEU A 66 0.411 -13.522 -1.743 1.00 0.00 C ATOM 951 O LEU A 66 0.000 -13.515 -0.583 1.00 0.00 O ATOM 952 CB LEU A 66 2.269 -11.824 -2.220 1.00 0.00 C ATOM 953 CG LEU A 66 2.613 -10.353 -2.460 1.00 0.00 C ATOM 954 CD1 LEU A 66 3.344 -9.757 -1.256 1.00 0.00 C ATOM 955 CD2 LEU A 66 3.407 -10.180 -3.757 1.00 0.00 C ATOM 0 H LEU A 66 0.116 -10.803 -1.047 1.00 0.00 H new ATOM 0 HA LEU A 66 0.697 -12.375 -3.507 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.546 -12.079 -1.197 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.887 -12.433 -2.879 1.00 0.00 H new ATOM 0 HG LEU A 66 1.682 -9.799 -2.577 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.577 -8.711 -1.453 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.709 -9.827 -0.373 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.268 -10.308 -1.082 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.639 -9.125 -3.904 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.334 -10.750 -3.695 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.814 -10.542 -4.597 1.00 0.00 H new ATOM 967 N SER A 67 0.549 -14.611 -2.484 1.00 0.00 N ATOM 968 CA SER A 67 0.212 -15.923 -1.957 1.00 0.00 C ATOM 969 C SER A 67 -1.264 -15.962 -1.556 1.00 0.00 C ATOM 970 O SER A 67 -1.882 -14.919 -1.346 1.00 0.00 O ATOM 971 CB SER A 67 1.096 -16.280 -0.761 1.00 0.00 C ATOM 972 OG SER A 67 0.981 -17.654 -0.403 1.00 0.00 O ATOM 0 H SER A 67 0.890 -14.612 -3.445 1.00 0.00 H new ATOM 0 HA SER A 67 0.390 -16.661 -2.739 1.00 0.00 H new ATOM 0 HB2 SER A 67 2.135 -16.053 -0.998 1.00 0.00 H new ATOM 0 HB3 SER A 67 0.821 -15.659 0.091 1.00 0.00 H new ATOM 0 HG SER A 67 1.562 -17.842 0.363 1.00 0.00 H new ATOM 978 N GLY A 68 -1.787 -17.175 -1.461 1.00 0.00 N ATOM 979 CA GLY A 68 -3.179 -17.364 -1.089 1.00 0.00 C ATOM 980 C GLY A 68 -3.582 -18.836 -1.200 1.00 0.00 C ATOM 981 O GLY A 68 -2.728 -19.706 -1.365 1.00 0.00 O ATOM 0 H GLY A 68 -1.272 -18.038 -1.635 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -3.337 -17.016 -0.068 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -3.817 -16.759 -1.734 1.00 0.00 H new ATOM 985 N PRO A 69 -4.917 -19.075 -1.102 1.00 0.00 N ATOM 986 CA PRO A 69 -5.443 -20.427 -1.189 1.00 0.00 C ATOM 987 C PRO A 69 -5.424 -20.930 -2.634 1.00 0.00 C ATOM 988 O PRO A 69 -6.471 -21.226 -3.206 1.00 0.00 O ATOM 989 CB PRO A 69 -6.845 -20.341 -0.609 1.00 0.00 C ATOM 990 CG PRO A 69 -7.223 -18.869 -0.648 1.00 0.00 C ATOM 991 CD PRO A 69 -5.957 -18.070 -0.906 1.00 0.00 C ATOM 0 HA PRO A 69 -4.841 -21.149 -0.637 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -7.546 -20.940 -1.191 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -6.870 -20.724 0.411 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -7.958 -18.684 -1.432 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -7.680 -18.567 0.295 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -6.063 -17.433 -1.784 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -5.723 -17.417 -0.065 1.00 0.00 H new ATOM 999 N SER A 70 -4.220 -21.012 -3.183 1.00 0.00 N ATOM 1000 CA SER A 70 -4.050 -21.474 -4.550 1.00 0.00 C ATOM 1001 C SER A 70 -2.888 -22.466 -4.626 1.00 0.00 C ATOM 1002 O SER A 70 -1.751 -22.076 -4.885 1.00 0.00 O ATOM 1003 CB SER A 70 -3.811 -20.301 -5.502 1.00 0.00 C ATOM 1004 OG SER A 70 -3.995 -20.674 -6.865 1.00 0.00 O ATOM 0 H SER A 70 -3.353 -20.766 -2.705 1.00 0.00 H new ATOM 0 HA SER A 70 -4.967 -21.975 -4.859 1.00 0.00 H new ATOM 0 HB2 SER A 70 -4.493 -19.488 -5.253 1.00 0.00 H new ATOM 0 HB3 SER A 70 -2.798 -19.922 -5.363 1.00 0.00 H new ATOM 0 HG SER A 70 -3.835 -19.898 -7.441 1.00 0.00 H new ATOM 1010 N SER A 71 -3.214 -23.729 -4.395 1.00 0.00 N ATOM 1011 CA SER A 71 -2.211 -24.780 -4.435 1.00 0.00 C ATOM 1012 C SER A 71 -2.875 -26.145 -4.243 1.00 0.00 C ATOM 1013 O SER A 71 -2.756 -27.022 -5.097 1.00 0.00 O ATOM 1014 CB SER A 71 -1.138 -24.557 -3.367 1.00 0.00 C ATOM 1015 OG SER A 71 -0.082 -25.509 -3.465 1.00 0.00 O ATOM 0 H SER A 71 -4.158 -24.049 -4.179 1.00 0.00 H new ATOM 0 HA SER A 71 -1.726 -24.753 -5.411 1.00 0.00 H new ATOM 0 HB2 SER A 71 -0.730 -23.551 -3.467 1.00 0.00 H new ATOM 0 HB3 SER A 71 -1.592 -24.620 -2.378 1.00 0.00 H new ATOM 0 HG SER A 71 0.584 -25.332 -2.768 1.00 0.00 H new ATOM 1021 N GLY A 72 -3.560 -26.281 -3.117 1.00 0.00 N ATOM 1022 CA GLY A 72 -4.243 -27.524 -2.803 1.00 0.00 C ATOM 1023 C GLY A 72 -5.504 -27.688 -3.654 1.00 0.00 C ATOM 1024 O GLY A 72 -6.530 -27.070 -3.375 1.00 0.00 O ATOM 0 H GLY A 72 -3.657 -25.551 -2.411 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.572 -28.365 -2.976 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -4.509 -27.540 -1.746 1.00 0.00 H new TER 1028 GLY A 72