USER MOD reduce.3.24.130724 H: found=0, std=0, add=448, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 449 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 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 GLN : amide:sc= 0.347 X(o=0.35,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 40 THR OG1 : rot -170:sc= -0.808 USER MOD Single : A 44 TYR OH : rot -112:sc= 0.0862 USER MOD Single : A 47 TYR OH : rot 132:sc= 0.0643 USER MOD Single : A 49 THR OG1 : rot 82:sc= 1.08 USER MOD Single : A 51 LYS NZ :NH3+ 169:sc= 1.18 (180deg=1.09) USER MOD Single : A 53 THR OG1 : rot 71:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 19 N MET A 3 5.105 1.426 1.640 1.00 0.00 N ATOM 20 CA MET A 3 5.256 1.955 2.990 1.00 0.00 C ATOM 21 C MET A 3 6.637 2.573 3.181 1.00 0.00 C ATOM 22 O MET A 3 6.759 3.727 3.588 1.00 0.00 O ATOM 23 CB MET A 3 5.033 0.847 4.022 1.00 0.00 C ATOM 24 CG MET A 3 4.307 1.319 5.272 1.00 0.00 C ATOM 25 SD MET A 3 4.550 0.212 6.675 1.00 0.00 S ATOM 26 CE MET A 3 2.894 0.163 7.357 1.00 0.00 C ATOM 0 HA MET A 3 4.507 2.733 3.134 1.00 0.00 H new ATOM 0 HB2 MET A 3 4.460 0.042 3.561 1.00 0.00 H new ATOM 0 HB3 MET A 3 5.998 0.428 4.308 1.00 0.00 H new ATOM 0 HG2 MET A 3 4.657 2.317 5.536 1.00 0.00 H new ATOM 0 HG3 MET A 3 3.241 1.401 5.059 1.00 0.00 H new ATOM 0 HE1 MET A 3 2.881 -0.484 8.234 1.00 0.00 H new ATOM 0 HE2 MET A 3 2.589 1.169 7.643 1.00 0.00 H new ATOM 0 HE3 MET A 3 2.204 -0.227 6.609 1.00 0.00 H new ATOM 36 N GLU A 4 7.674 1.796 2.884 1.00 0.00 N ATOM 37 CA GLU A 4 9.047 2.268 3.024 1.00 0.00 C ATOM 38 C GLU A 4 9.241 3.598 2.302 1.00 0.00 C ATOM 39 O GLU A 4 9.908 4.500 2.809 1.00 0.00 O ATOM 40 CB GLU A 4 10.026 1.229 2.475 1.00 0.00 C ATOM 41 CG GLU A 4 9.607 0.646 1.135 1.00 0.00 C ATOM 42 CD GLU A 4 10.683 -0.224 0.516 1.00 0.00 C ATOM 43 OE1 GLU A 4 11.615 -0.625 1.243 1.00 0.00 O ATOM 44 OE2 GLU A 4 10.593 -0.504 -0.698 1.00 0.00 O ATOM 0 H GLU A 4 7.590 0.838 2.545 1.00 0.00 H new ATOM 0 HA GLU A 4 9.246 2.418 4.085 1.00 0.00 H new ATOM 0 HB2 GLU A 4 11.009 1.688 2.371 1.00 0.00 H new ATOM 0 HB3 GLU A 4 10.127 0.420 3.198 1.00 0.00 H new ATOM 0 HG2 GLU A 4 8.700 0.057 1.267 1.00 0.00 H new ATOM 0 HG3 GLU A 4 9.363 1.458 0.450 1.00 0.00 H new ATOM 51 N ARG A 5 8.654 3.711 1.115 1.00 0.00 N ATOM 52 CA ARG A 5 8.764 4.929 0.321 1.00 0.00 C ATOM 53 C ARG A 5 8.090 6.101 1.029 1.00 0.00 C ATOM 54 O ARG A 5 8.714 7.136 1.271 1.00 0.00 O ATOM 55 CB ARG A 5 8.135 4.723 -1.058 1.00 0.00 C ATOM 56 CG ARG A 5 8.853 3.686 -1.906 1.00 0.00 C ATOM 57 CD ARG A 5 10.100 4.264 -2.556 1.00 0.00 C ATOM 58 NE ARG A 5 10.560 3.450 -3.678 1.00 0.00 N ATOM 59 CZ ARG A 5 11.636 3.738 -4.403 1.00 0.00 C ATOM 60 NH1 ARG A 5 12.358 4.815 -4.124 1.00 0.00 N ATOM 61 NH2 ARG A 5 11.991 2.949 -5.408 1.00 0.00 N ATOM 0 H ARG A 5 8.097 2.974 0.682 1.00 0.00 H new ATOM 0 HA ARG A 5 9.822 5.159 0.199 1.00 0.00 H new ATOM 0 HB2 ARG A 5 7.095 4.421 -0.932 1.00 0.00 H new ATOM 0 HB3 ARG A 5 8.128 5.674 -1.591 1.00 0.00 H new ATOM 0 HG2 ARG A 5 9.127 2.833 -1.285 1.00 0.00 H new ATOM 0 HG3 ARG A 5 8.178 3.315 -2.677 1.00 0.00 H new ATOM 0 HD2 ARG A 5 9.892 5.276 -2.904 1.00 0.00 H new ATOM 0 HD3 ARG A 5 10.894 4.339 -1.813 1.00 0.00 H new ATOM 0 HE ARG A 5 10.026 2.615 -3.918 1.00 0.00 H new ATOM 0 HH11 ARG A 5 12.088 5.424 -3.352 1.00 0.00 H new ATOM 0 HH12 ARG A 5 13.183 5.034 -4.682 1.00 0.00 H new ATOM 0 HH21 ARG A 5 11.438 2.120 -5.625 1.00 0.00 H new ATOM 0 HH22 ARG A 5 12.817 3.171 -5.964 1.00 0.00 H new ATOM 75 N LEU A 6 6.814 5.933 1.358 1.00 0.00 N ATOM 76 CA LEU A 6 6.055 6.977 2.038 1.00 0.00 C ATOM 77 C LEU A 6 6.748 7.402 3.328 1.00 0.00 C ATOM 78 O LEU A 6 6.748 8.580 3.686 1.00 0.00 O ATOM 79 CB LEU A 6 4.638 6.487 2.343 1.00 0.00 C ATOM 80 CG LEU A 6 3.839 7.326 3.342 1.00 0.00 C ATOM 81 CD1 LEU A 6 3.708 8.759 2.850 1.00 0.00 C ATOM 82 CD2 LEU A 6 2.467 6.713 3.575 1.00 0.00 C ATOM 0 H LEU A 6 6.283 5.084 1.165 1.00 0.00 H new ATOM 0 HA LEU A 6 5.999 7.842 1.377 1.00 0.00 H new ATOM 0 HB2 LEU A 6 4.081 6.444 1.407 1.00 0.00 H new ATOM 0 HB3 LEU A 6 4.701 5.468 2.724 1.00 0.00 H new ATOM 0 HG LEU A 6 4.376 7.337 4.291 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.137 9.341 3.573 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.700 9.196 2.735 1.00 0.00 H new ATOM 0 HD13 LEU A 6 3.193 8.768 1.889 1.00 0.00 H new ATOM 0 HD21 LEU A 6 1.912 7.323 4.288 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.922 6.672 2.632 1.00 0.00 H new ATOM 0 HD23 LEU A 6 2.582 5.704 3.972 1.00 0.00 H new ATOM 94 N ARG A 7 7.340 6.435 4.022 1.00 0.00 N ATOM 95 CA ARG A 7 8.038 6.709 5.272 1.00 0.00 C ATOM 96 C ARG A 7 9.258 7.593 5.031 1.00 0.00 C ATOM 97 O ARG A 7 9.403 8.650 5.647 1.00 0.00 O ATOM 98 CB ARG A 7 8.467 5.401 5.939 1.00 0.00 C ATOM 99 CG ARG A 7 8.912 5.570 7.382 1.00 0.00 C ATOM 100 CD ARG A 7 7.730 5.525 8.338 1.00 0.00 C ATOM 101 NE ARG A 7 8.111 5.022 9.656 1.00 0.00 N ATOM 102 CZ ARG A 7 7.267 4.927 10.677 1.00 0.00 C ATOM 103 NH1 ARG A 7 6.002 5.297 10.534 1.00 0.00 N ATOM 104 NH2 ARG A 7 7.689 4.459 11.845 1.00 0.00 N ATOM 0 H ARG A 7 7.350 5.455 3.739 1.00 0.00 H new ATOM 0 HA ARG A 7 7.352 7.238 5.933 1.00 0.00 H new ATOM 0 HB2 ARG A 7 7.636 4.696 5.904 1.00 0.00 H new ATOM 0 HB3 ARG A 7 9.283 4.961 5.365 1.00 0.00 H new ATOM 0 HG2 ARG A 7 9.620 4.783 7.640 1.00 0.00 H new ATOM 0 HG3 ARG A 7 9.436 6.519 7.494 1.00 0.00 H new ATOM 0 HD2 ARG A 7 7.308 6.525 8.440 1.00 0.00 H new ATOM 0 HD3 ARG A 7 6.949 4.890 7.919 1.00 0.00 H new ATOM 0 HE ARG A 7 9.077 4.728 9.800 1.00 0.00 H new ATOM 0 HH11 ARG A 7 5.674 5.656 9.637 1.00 0.00 H new ATOM 0 HH12 ARG A 7 5.357 5.223 11.321 1.00 0.00 H new ATOM 0 HH21 ARG A 7 8.661 4.172 11.958 1.00 0.00 H new ATOM 0 HH22 ARG A 7 7.041 4.386 12.629 1.00 0.00 H new ATOM 118 N ASP A 8 10.132 7.154 4.132 1.00 0.00 N ATOM 119 CA ASP A 8 11.340 7.905 3.809 1.00 0.00 C ATOM 120 C ASP A 8 10.990 9.283 3.254 1.00 0.00 C ATOM 121 O ASP A 8 11.597 10.287 3.628 1.00 0.00 O ATOM 122 CB ASP A 8 12.190 7.135 2.798 1.00 0.00 C ATOM 123 CG ASP A 8 12.608 5.772 3.313 1.00 0.00 C ATOM 124 OD1 ASP A 8 12.362 5.486 4.504 1.00 0.00 O ATOM 125 OD2 ASP A 8 13.180 4.990 2.525 1.00 0.00 O ATOM 0 H ASP A 8 10.027 6.282 3.614 1.00 0.00 H new ATOM 0 HA ASP A 8 11.913 8.037 4.727 1.00 0.00 H new ATOM 0 HB2 ASP A 8 11.627 7.014 1.872 1.00 0.00 H new ATOM 0 HB3 ASP A 8 13.079 7.717 2.557 1.00 0.00 H new ATOM 130 N VAL A 9 10.009 9.322 2.358 1.00 0.00 N ATOM 131 CA VAL A 9 9.579 10.576 1.751 1.00 0.00 C ATOM 132 C VAL A 9 8.969 11.510 2.790 1.00 0.00 C ATOM 133 O VAL A 9 9.479 12.605 3.031 1.00 0.00 O ATOM 134 CB VAL A 9 8.550 10.333 0.630 1.00 0.00 C ATOM 135 CG1 VAL A 9 8.085 11.654 0.037 1.00 0.00 C ATOM 136 CG2 VAL A 9 9.139 9.434 -0.446 1.00 0.00 C ATOM 0 H VAL A 9 9.497 8.500 2.037 1.00 0.00 H new ATOM 0 HA VAL A 9 10.468 11.042 1.325 1.00 0.00 H new ATOM 0 HB VAL A 9 7.683 9.830 1.058 1.00 0.00 H new ATOM 0 HG11 VAL A 9 7.359 11.463 -0.753 1.00 0.00 H new ATOM 0 HG12 VAL A 9 7.622 12.260 0.816 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.940 12.188 -0.378 1.00 0.00 H new ATOM 0 HG21 VAL A 9 8.399 9.272 -1.230 1.00 0.00 H new ATOM 0 HG22 VAL A 9 10.023 9.908 -0.873 1.00 0.00 H new ATOM 0 HG23 VAL A 9 9.418 8.476 -0.007 1.00 0.00 H new ATOM 146 N ARG A 10 7.876 11.070 3.405 1.00 0.00 N ATOM 147 CA ARG A 10 7.197 11.866 4.419 1.00 0.00 C ATOM 148 C ARG A 10 8.174 12.318 5.501 1.00 0.00 C ATOM 149 O ARG A 10 8.032 13.402 6.065 1.00 0.00 O ATOM 150 CB ARG A 10 6.057 11.064 5.049 1.00 0.00 C ATOM 151 CG ARG A 10 6.510 10.135 6.164 1.00 0.00 C ATOM 152 CD ARG A 10 5.353 9.310 6.706 1.00 0.00 C ATOM 153 NE ARG A 10 4.664 9.987 7.802 1.00 0.00 N ATOM 154 CZ ARG A 10 3.483 9.604 8.275 1.00 0.00 C ATOM 155 NH1 ARG A 10 2.863 8.555 7.752 1.00 0.00 N ATOM 156 NH2 ARG A 10 2.920 10.271 9.274 1.00 0.00 N ATOM 0 H ARG A 10 7.442 10.166 3.218 1.00 0.00 H new ATOM 0 HA ARG A 10 6.785 12.751 3.934 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.312 11.755 5.444 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.566 10.475 4.274 1.00 0.00 H new ATOM 0 HG2 ARG A 10 7.289 9.470 5.791 1.00 0.00 H new ATOM 0 HG3 ARG A 10 6.950 10.721 6.971 1.00 0.00 H new ATOM 0 HD2 ARG A 10 4.645 9.107 5.903 1.00 0.00 H new ATOM 0 HD3 ARG A 10 5.726 8.346 7.053 1.00 0.00 H new ATOM 0 HE ARG A 10 5.114 10.798 8.227 1.00 0.00 H new ATOM 0 HH11 ARG A 10 3.293 8.039 6.984 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.956 8.264 8.118 1.00 0.00 H new ATOM 0 HH21 ARG A 10 3.394 11.078 9.679 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.013 9.977 9.637 1.00 0.00 H new ATOM 170 N GLU A 11 9.165 11.478 5.784 1.00 0.00 N ATOM 171 CA GLU A 11 10.164 11.791 6.799 1.00 0.00 C ATOM 172 C GLU A 11 11.063 12.937 6.343 1.00 0.00 C ATOM 173 O GLU A 11 11.288 13.895 7.082 1.00 0.00 O ATOM 174 CB GLU A 11 11.012 10.556 7.109 1.00 0.00 C ATOM 175 CG GLU A 11 12.196 10.843 8.017 1.00 0.00 C ATOM 176 CD GLU A 11 12.824 9.580 8.575 1.00 0.00 C ATOM 177 OE1 GLU A 11 12.127 8.545 8.629 1.00 0.00 O ATOM 178 OE2 GLU A 11 14.012 9.627 8.956 1.00 0.00 O ATOM 0 H GLU A 11 9.297 10.577 5.325 1.00 0.00 H new ATOM 0 HA GLU A 11 9.641 12.101 7.704 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.381 9.800 7.577 1.00 0.00 H new ATOM 0 HB3 GLU A 11 11.377 10.132 6.173 1.00 0.00 H new ATOM 0 HG2 GLU A 11 12.948 11.403 7.461 1.00 0.00 H new ATOM 0 HG3 GLU A 11 11.871 11.478 8.842 1.00 0.00 H new ATOM 185 N ARG A 12 11.573 12.830 5.121 1.00 0.00 N ATOM 186 CA ARG A 12 12.449 13.855 4.566 1.00 0.00 C ATOM 187 C ARG A 12 11.748 15.210 4.535 1.00 0.00 C ATOM 188 O ARG A 12 12.349 16.240 4.845 1.00 0.00 O ATOM 189 CB ARG A 12 12.894 13.467 3.155 1.00 0.00 C ATOM 190 CG ARG A 12 14.268 12.820 3.106 1.00 0.00 C ATOM 191 CD ARG A 12 15.248 13.653 2.295 1.00 0.00 C ATOM 192 NE ARG A 12 16.633 13.262 2.541 1.00 0.00 N ATOM 193 CZ ARG A 12 17.680 13.997 2.181 1.00 0.00 C ATOM 194 NH1 ARG A 12 17.498 15.155 1.563 1.00 0.00 N ATOM 195 NH2 ARG A 12 18.910 13.574 2.441 1.00 0.00 N ATOM 0 H ARG A 12 11.395 12.044 4.496 1.00 0.00 H new ATOM 0 HA ARG A 12 13.327 13.933 5.207 1.00 0.00 H new ATOM 0 HB2 ARG A 12 12.163 12.780 2.729 1.00 0.00 H new ATOM 0 HB3 ARG A 12 12.899 14.358 2.527 1.00 0.00 H new ATOM 0 HG2 ARG A 12 14.648 12.694 4.120 1.00 0.00 H new ATOM 0 HG3 ARG A 12 14.187 11.824 2.670 1.00 0.00 H new ATOM 0 HD2 ARG A 12 15.024 13.545 1.234 1.00 0.00 H new ATOM 0 HD3 ARG A 12 15.119 14.707 2.542 1.00 0.00 H new ATOM 0 HE ARG A 12 16.807 12.376 3.015 1.00 0.00 H new ATOM 0 HH11 ARG A 12 16.553 15.483 1.363 1.00 0.00 H new ATOM 0 HH12 ARG A 12 18.303 15.718 1.287 1.00 0.00 H new ATOM 0 HH21 ARG A 12 19.053 12.684 2.918 1.00 0.00 H new ATOM 0 HH22 ARG A 12 19.713 14.139 2.164 1.00 0.00 H new ATOM 209 N LEU A 13 10.473 15.203 4.160 1.00 0.00 N ATOM 210 CA LEU A 13 9.690 16.431 4.088 1.00 0.00 C ATOM 211 C LEU A 13 9.496 17.035 5.475 1.00 0.00 C ATOM 212 O LEU A 13 9.790 18.209 5.697 1.00 0.00 O ATOM 213 CB LEU A 13 8.329 16.154 3.445 1.00 0.00 C ATOM 214 CG LEU A 13 7.889 17.135 2.358 1.00 0.00 C ATOM 215 CD1 LEU A 13 6.556 16.709 1.763 1.00 0.00 C ATOM 216 CD2 LEU A 13 7.798 18.547 2.919 1.00 0.00 C ATOM 0 H LEU A 13 9.960 14.360 3.901 1.00 0.00 H new ATOM 0 HA LEU A 13 10.237 17.146 3.474 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.349 15.152 3.016 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.573 16.149 4.230 1.00 0.00 H new ATOM 0 HG LEU A 13 8.637 17.128 1.565 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.259 17.419 0.991 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.654 15.716 1.324 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.798 16.686 2.546 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.484 19.232 2.131 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.071 18.570 3.731 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.774 18.852 3.297 1.00 0.00 H new ATOM 228 N GLN A 14 9.001 16.224 6.404 1.00 0.00 N ATOM 229 CA GLN A 14 8.770 16.679 7.770 1.00 0.00 C ATOM 230 C GLN A 14 10.019 17.343 8.341 1.00 0.00 C ATOM 231 O GLN A 14 9.999 18.521 8.697 1.00 0.00 O ATOM 232 CB GLN A 14 8.352 15.505 8.657 1.00 0.00 C ATOM 233 CG GLN A 14 7.004 14.910 8.283 1.00 0.00 C ATOM 234 CD GLN A 14 5.871 15.450 9.133 1.00 0.00 C ATOM 235 OE1 GLN A 14 5.143 16.352 8.717 1.00 0.00 O ATOM 236 NE2 GLN A 14 5.716 14.900 10.332 1.00 0.00 N ATOM 0 H GLN A 14 8.752 15.249 6.236 1.00 0.00 H new ATOM 0 HA GLN A 14 7.966 17.415 7.750 1.00 0.00 H new ATOM 0 HB2 GLN A 14 9.113 14.727 8.597 1.00 0.00 H new ATOM 0 HB3 GLN A 14 8.318 15.838 9.694 1.00 0.00 H new ATOM 0 HG2 GLN A 14 6.797 15.120 7.233 1.00 0.00 H new ATOM 0 HG3 GLN A 14 7.048 13.826 8.389 1.00 0.00 H new ATOM 0 HE21 GLN A 14 6.343 14.155 10.636 1.00 0.00 H new ATOM 0 HE22 GLN A 14 4.970 15.223 10.949 1.00 0.00 H new ATOM 245 N ALA A 15 11.103 16.580 8.426 1.00 0.00 N ATOM 246 CA ALA A 15 12.361 17.095 8.952 1.00 0.00 C ATOM 247 C ALA A 15 12.822 18.320 8.171 1.00 0.00 C ATOM 248 O ALA A 15 13.288 19.300 8.752 1.00 0.00 O ATOM 249 CB ALA A 15 13.430 16.012 8.919 1.00 0.00 C ATOM 0 H ALA A 15 11.136 15.602 8.137 1.00 0.00 H new ATOM 0 HA ALA A 15 12.197 17.397 9.986 1.00 0.00 H new ATOM 0 HB1 ALA A 15 14.364 16.411 9.315 1.00 0.00 H new ATOM 0 HB2 ALA A 15 13.110 15.166 9.527 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.583 15.683 7.891 1.00 0.00 H new ATOM 255 N TRP A 16 12.690 18.258 6.851 1.00 0.00 N ATOM 256 CA TRP A 16 13.095 19.363 5.989 1.00 0.00 C ATOM 257 C TRP A 16 12.468 20.673 6.454 1.00 0.00 C ATOM 258 O TRP A 16 13.139 21.514 7.051 1.00 0.00 O ATOM 259 CB TRP A 16 12.697 19.079 4.540 1.00 0.00 C ATOM 260 CG TRP A 16 12.846 20.268 3.639 1.00 0.00 C ATOM 261 CD1 TRP A 16 11.877 20.830 2.857 1.00 0.00 C ATOM 262 CD2 TRP A 16 14.033 21.039 3.427 1.00 0.00 C ATOM 263 NE1 TRP A 16 12.391 21.904 2.171 1.00 0.00 N ATOM 264 CE2 TRP A 16 13.712 22.054 2.504 1.00 0.00 C ATOM 265 CE3 TRP A 16 15.336 20.972 3.927 1.00 0.00 C ATOM 266 CZ2 TRP A 16 14.647 22.991 2.073 1.00 0.00 C ATOM 267 CZ3 TRP A 16 16.263 21.903 3.498 1.00 0.00 C ATOM 268 CH2 TRP A 16 15.915 22.902 2.579 1.00 0.00 C ATOM 0 H TRP A 16 12.306 17.454 6.354 1.00 0.00 H new ATOM 0 HA TRP A 16 14.179 19.459 6.048 1.00 0.00 H new ATOM 0 HB2 TRP A 16 13.308 18.262 4.156 1.00 0.00 H new ATOM 0 HB3 TRP A 16 11.661 18.741 4.515 1.00 0.00 H new ATOM 0 HD1 TRP A 16 10.857 20.481 2.788 1.00 0.00 H new ATOM 0 HE1 TRP A 16 11.873 22.494 1.520 1.00 0.00 H new ATOM 0 HE3 TRP A 16 15.614 20.206 4.636 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 14.381 23.761 1.364 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 17.273 21.860 3.878 1.00 0.00 H new ATOM 0 HH2 TRP A 16 16.662 23.615 2.264 1.00 0.00 H new ATOM 279 N GLU A 17 11.179 20.839 6.175 1.00 0.00 N ATOM 280 CA GLU A 17 10.463 22.049 6.565 1.00 0.00 C ATOM 281 C GLU A 17 10.662 22.344 8.049 1.00 0.00 C ATOM 282 O GLU A 17 10.722 23.503 8.460 1.00 0.00 O ATOM 283 CB GLU A 17 8.971 21.907 6.257 1.00 0.00 C ATOM 284 CG GLU A 17 8.257 20.910 7.154 1.00 0.00 C ATOM 285 CD GLU A 17 7.683 21.554 8.402 1.00 0.00 C ATOM 286 OE1 GLU A 17 7.000 22.592 8.274 1.00 0.00 O ATOM 287 OE2 GLU A 17 7.918 21.020 9.506 1.00 0.00 O ATOM 0 H GLU A 17 10.609 20.152 5.681 1.00 0.00 H new ATOM 0 HA GLU A 17 10.867 22.882 5.989 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.493 22.881 6.358 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.851 21.600 5.218 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.453 20.433 6.593 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.954 20.123 7.443 1.00 0.00 H new ATOM 294 N ARG A 18 10.762 21.287 8.848 1.00 0.00 N ATOM 295 CA ARG A 18 10.952 21.431 10.287 1.00 0.00 C ATOM 296 C ARG A 18 12.144 22.334 10.590 1.00 0.00 C ATOM 297 O ARG A 18 11.977 23.487 10.985 1.00 0.00 O ATOM 298 CB ARG A 18 11.157 20.062 10.936 1.00 0.00 C ATOM 299 CG ARG A 18 9.894 19.484 11.552 1.00 0.00 C ATOM 300 CD ARG A 18 9.403 20.332 12.715 1.00 0.00 C ATOM 301 NE ARG A 18 7.965 20.578 12.644 1.00 0.00 N ATOM 302 CZ ARG A 18 7.305 21.335 13.514 1.00 0.00 C ATOM 303 NH1 ARG A 18 7.951 21.917 14.514 1.00 0.00 N ATOM 304 NH2 ARG A 18 5.996 21.511 13.382 1.00 0.00 N ATOM 0 H ARG A 18 10.715 20.321 8.524 1.00 0.00 H new ATOM 0 HA ARG A 18 10.055 21.891 10.702 1.00 0.00 H new ATOM 0 HB2 ARG A 18 11.536 19.367 10.186 1.00 0.00 H new ATOM 0 HB3 ARG A 18 11.922 20.146 11.708 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.114 19.419 10.793 1.00 0.00 H new ATOM 0 HG3 ARG A 18 10.088 18.468 11.897 1.00 0.00 H new ATOM 0 HD2 ARG A 18 9.639 19.831 13.654 1.00 0.00 H new ATOM 0 HD3 ARG A 18 9.934 21.284 12.719 1.00 0.00 H new ATOM 0 HE ARG A 18 7.439 20.145 11.885 1.00 0.00 H new ATOM 0 HH11 ARG A 18 8.957 21.784 14.617 1.00 0.00 H new ATOM 0 HH12 ARG A 18 7.442 22.498 15.181 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.496 21.065 12.613 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.490 22.092 14.050 1.00 0.00 H new ATOM 318 N ALA A 19 13.347 21.800 10.401 1.00 0.00 N ATOM 319 CA ALA A 19 14.566 22.558 10.653 1.00 0.00 C ATOM 320 C ALA A 19 14.678 23.749 9.707 1.00 0.00 C ATOM 321 O ALA A 19 15.184 24.807 10.082 1.00 0.00 O ATOM 322 CB ALA A 19 15.785 21.656 10.517 1.00 0.00 C ATOM 0 H ALA A 19 13.503 20.846 10.075 1.00 0.00 H new ATOM 0 HA ALA A 19 14.522 22.941 11.673 1.00 0.00 H new ATOM 0 HB1 ALA A 19 16.689 22.235 10.708 1.00 0.00 H new ATOM 0 HB2 ALA A 19 15.717 20.841 11.238 1.00 0.00 H new ATOM 0 HB3 ALA A 19 15.823 21.246 9.508 1.00 0.00 H new ATOM 328 N PHE A 20 14.204 23.569 8.479 1.00 0.00 N ATOM 329 CA PHE A 20 14.252 24.629 7.478 1.00 0.00 C ATOM 330 C PHE A 20 13.691 25.932 8.039 1.00 0.00 C ATOM 331 O PHE A 20 14.420 26.907 8.222 1.00 0.00 O ATOM 332 CB PHE A 20 13.468 24.218 6.231 1.00 0.00 C ATOM 333 CG PHE A 20 13.013 25.382 5.398 1.00 0.00 C ATOM 334 CD1 PHE A 20 13.925 26.125 4.665 1.00 0.00 C ATOM 335 CD2 PHE A 20 11.674 25.733 5.348 1.00 0.00 C ATOM 336 CE1 PHE A 20 13.509 27.197 3.898 1.00 0.00 C ATOM 337 CE2 PHE A 20 11.252 26.803 4.581 1.00 0.00 C ATOM 338 CZ PHE A 20 12.171 27.537 3.857 1.00 0.00 C ATOM 0 H PHE A 20 13.782 22.699 8.153 1.00 0.00 H new ATOM 0 HA PHE A 20 15.295 24.790 7.206 1.00 0.00 H new ATOM 0 HB2 PHE A 20 14.090 23.565 5.619 1.00 0.00 H new ATOM 0 HB3 PHE A 20 12.598 23.636 6.534 1.00 0.00 H new ATOM 0 HD1 PHE A 20 14.972 25.863 4.693 1.00 0.00 H new ATOM 0 HD2 PHE A 20 10.951 25.164 5.915 1.00 0.00 H new ATOM 0 HE1 PHE A 20 14.229 27.768 3.331 1.00 0.00 H new ATOM 0 HE2 PHE A 20 10.205 27.065 4.548 1.00 0.00 H new ATOM 0 HZ PHE A 20 11.844 28.375 3.260 1.00 0.00 H new ATOM 348 N ARG A 21 12.390 25.941 8.309 1.00 0.00 N ATOM 349 CA ARG A 21 11.729 27.124 8.847 1.00 0.00 C ATOM 350 C ARG A 21 12.248 27.449 10.244 1.00 0.00 C ATOM 351 O ARG A 21 11.985 28.525 10.781 1.00 0.00 O ATOM 352 CB ARG A 21 10.214 26.914 8.889 1.00 0.00 C ATOM 353 CG ARG A 21 9.460 28.050 9.561 1.00 0.00 C ATOM 354 CD ARG A 21 8.162 28.363 8.834 1.00 0.00 C ATOM 355 NE ARG A 21 7.064 28.621 9.762 1.00 0.00 N ATOM 356 CZ ARG A 21 5.783 28.605 9.408 1.00 0.00 C ATOM 357 NH1 ARG A 21 5.442 28.344 8.154 1.00 0.00 N ATOM 358 NH2 ARG A 21 4.841 28.851 10.310 1.00 0.00 N ATOM 0 H ARG A 21 11.772 25.142 8.164 1.00 0.00 H new ATOM 0 HA ARG A 21 11.954 27.965 8.191 1.00 0.00 H new ATOM 0 HB2 ARG A 21 9.844 26.796 7.871 1.00 0.00 H new ATOM 0 HB3 ARG A 21 9.999 25.985 9.416 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.244 27.783 10.595 1.00 0.00 H new ATOM 0 HG3 ARG A 21 10.088 28.940 9.586 1.00 0.00 H new ATOM 0 HD2 ARG A 21 8.306 29.232 8.192 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.899 27.528 8.185 1.00 0.00 H new ATOM 0 HE ARG A 21 7.293 28.825 10.735 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.163 28.155 7.458 1.00 0.00 H new ATOM 0 HH12 ARG A 21 4.458 28.332 7.885 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.100 29.053 11.276 1.00 0.00 H new ATOM 0 HH22 ARG A 21 3.858 28.839 10.037 1.00 0.00 H new ATOM 372 N ARG A 22 12.985 26.510 10.829 1.00 0.00 N ATOM 373 CA ARG A 22 13.540 26.696 12.164 1.00 0.00 C ATOM 374 C ARG A 22 14.647 27.746 12.153 1.00 0.00 C ATOM 375 O ARG A 22 14.607 28.711 12.915 1.00 0.00 O ATOM 376 CB ARG A 22 14.084 25.371 12.702 1.00 0.00 C ATOM 377 CG ARG A 22 13.955 25.226 14.210 1.00 0.00 C ATOM 378 CD ARG A 22 14.485 23.884 14.688 1.00 0.00 C ATOM 379 NE ARG A 22 15.627 24.035 15.586 1.00 0.00 N ATOM 380 CZ ARG A 22 15.514 24.354 16.871 1.00 0.00 C ATOM 381 NH1 ARG A 22 14.317 24.554 17.405 1.00 0.00 N ATOM 382 NH2 ARG A 22 16.600 24.474 17.624 1.00 0.00 N ATOM 0 H ARG A 22 13.211 25.613 10.399 1.00 0.00 H new ATOM 0 HA ARG A 22 12.740 27.045 12.817 1.00 0.00 H new ATOM 0 HB2 ARG A 22 13.555 24.549 12.220 1.00 0.00 H new ATOM 0 HB3 ARG A 22 15.134 25.280 12.425 1.00 0.00 H new ATOM 0 HG2 ARG A 22 14.502 26.030 14.702 1.00 0.00 H new ATOM 0 HG3 ARG A 22 12.909 25.329 14.498 1.00 0.00 H new ATOM 0 HD2 ARG A 22 13.690 23.342 15.200 1.00 0.00 H new ATOM 0 HD3 ARG A 22 14.778 23.282 13.827 1.00 0.00 H new ATOM 0 HE ARG A 22 16.562 23.888 15.206 1.00 0.00 H new ATOM 0 HH11 ARG A 22 13.480 24.463 16.829 1.00 0.00 H new ATOM 0 HH12 ARG A 22 14.233 24.799 18.392 1.00 0.00 H new ATOM 0 HH21 ARG A 22 17.523 24.321 17.217 1.00 0.00 H new ATOM 0 HH22 ARG A 22 16.512 24.719 18.610 1.00 0.00 H new ATOM 396 N GLN A 23 15.633 27.549 11.284 1.00 0.00 N ATOM 397 CA GLN A 23 16.751 28.478 11.174 1.00 0.00 C ATOM 398 C GLN A 23 16.521 29.476 10.044 1.00 0.00 C ATOM 399 O GLN A 23 16.780 30.670 10.195 1.00 0.00 O ATOM 400 CB GLN A 23 18.055 27.715 10.939 1.00 0.00 C ATOM 401 CG GLN A 23 18.056 26.892 9.661 1.00 0.00 C ATOM 402 CD GLN A 23 18.906 25.642 9.772 1.00 0.00 C ATOM 403 OE1 GLN A 23 20.131 25.699 9.659 1.00 0.00 O ATOM 404 NE2 GLN A 23 18.260 24.504 9.994 1.00 0.00 N ATOM 0 H GLN A 23 15.680 26.755 10.646 1.00 0.00 H new ATOM 0 HA GLN A 23 16.825 29.029 12.111 1.00 0.00 H new ATOM 0 HB2 GLN A 23 18.881 28.426 10.904 1.00 0.00 H new ATOM 0 HB3 GLN A 23 18.238 27.055 11.787 1.00 0.00 H new ATOM 0 HG2 GLN A 23 17.032 26.610 9.414 1.00 0.00 H new ATOM 0 HG3 GLN A 23 18.424 27.505 8.839 1.00 0.00 H new ATOM 0 HE21 GLN A 23 17.244 24.503 10.081 1.00 0.00 H new ATOM 0 HE22 GLN A 23 18.780 23.630 10.078 1.00 0.00 H new ATOM 413 N ARG A 24 16.034 28.979 8.912 1.00 0.00 N ATOM 414 CA ARG A 24 15.770 29.827 7.756 1.00 0.00 C ATOM 415 C ARG A 24 14.624 30.793 8.040 1.00 0.00 C ATOM 416 O ARG A 24 14.725 31.989 7.769 1.00 0.00 O ATOM 417 CB ARG A 24 15.438 28.970 6.533 1.00 0.00 C ATOM 418 CG ARG A 24 16.399 27.811 6.322 1.00 0.00 C ATOM 419 CD ARG A 24 17.032 27.857 4.941 1.00 0.00 C ATOM 420 NE ARG A 24 18.245 27.047 4.868 1.00 0.00 N ATOM 421 CZ ARG A 24 19.379 27.365 5.483 1.00 0.00 C ATOM 422 NH1 ARG A 24 19.454 28.469 6.213 1.00 0.00 N ATOM 423 NH2 ARG A 24 20.441 26.578 5.369 1.00 0.00 N ATOM 0 H ARG A 24 15.814 27.993 8.771 1.00 0.00 H new ATOM 0 HA ARG A 24 16.669 30.408 7.551 1.00 0.00 H new ATOM 0 HB2 ARG A 24 14.427 28.578 6.639 1.00 0.00 H new ATOM 0 HB3 ARG A 24 15.444 29.602 5.645 1.00 0.00 H new ATOM 0 HG2 ARG A 24 17.179 27.841 7.082 1.00 0.00 H new ATOM 0 HG3 ARG A 24 15.867 26.868 6.448 1.00 0.00 H new ATOM 0 HD2 ARG A 24 16.314 27.502 4.201 1.00 0.00 H new ATOM 0 HD3 ARG A 24 17.270 28.890 4.685 1.00 0.00 H new ATOM 0 HE ARG A 24 18.220 26.190 4.315 1.00 0.00 H new ATOM 0 HH11 ARG A 24 18.640 29.077 6.304 1.00 0.00 H new ATOM 0 HH12 ARG A 24 20.326 28.711 6.684 1.00 0.00 H new ATOM 0 HH21 ARG A 24 20.388 25.727 4.809 1.00 0.00 H new ATOM 0 HH22 ARG A 24 21.311 26.824 5.842 1.00 0.00 H new ATOM 437 N GLY A 25 13.533 30.265 8.587 1.00 0.00 N ATOM 438 CA GLY A 25 12.384 31.094 8.898 1.00 0.00 C ATOM 439 C GLY A 25 11.943 31.940 7.720 1.00 0.00 C ATOM 440 O GLY A 25 11.469 33.063 7.896 1.00 0.00 O ATOM 0 H GLY A 25 13.425 29.278 8.820 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.557 30.459 9.215 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.626 31.745 9.738 1.00 0.00 H new ATOM 444 N ARG A 26 12.101 31.401 6.515 1.00 0.00 N ATOM 445 CA ARG A 26 11.719 32.116 5.303 1.00 0.00 C ATOM 446 C ARG A 26 12.084 31.310 4.059 1.00 0.00 C ATOM 447 O ARG A 26 12.767 30.290 4.147 1.00 0.00 O ATOM 448 CB ARG A 26 12.400 33.484 5.256 1.00 0.00 C ATOM 449 CG ARG A 26 11.427 34.646 5.139 1.00 0.00 C ATOM 450 CD ARG A 26 12.134 35.983 5.295 1.00 0.00 C ATOM 451 NE ARG A 26 11.791 36.640 6.553 1.00 0.00 N ATOM 452 CZ ARG A 26 12.217 37.853 6.889 1.00 0.00 C ATOM 453 NH1 ARG A 26 12.999 38.536 6.065 1.00 0.00 N ATOM 454 NH2 ARG A 26 11.862 38.384 8.052 1.00 0.00 N ATOM 0 H ARG A 26 12.491 30.472 6.352 1.00 0.00 H new ATOM 0 HA ARG A 26 10.638 32.257 5.319 1.00 0.00 H new ATOM 0 HB2 ARG A 26 13.000 33.613 6.157 1.00 0.00 H new ATOM 0 HB3 ARG A 26 13.087 33.510 4.410 1.00 0.00 H new ATOM 0 HG2 ARG A 26 10.928 34.608 4.171 1.00 0.00 H new ATOM 0 HG3 ARG A 26 10.653 34.552 5.900 1.00 0.00 H new ATOM 0 HD2 ARG A 26 13.212 35.831 5.248 1.00 0.00 H new ATOM 0 HD3 ARG A 26 11.867 36.633 4.462 1.00 0.00 H new ATOM 0 HE ARG A 26 11.192 36.140 7.210 1.00 0.00 H new ATOM 0 HH11 ARG A 26 13.275 38.131 5.171 1.00 0.00 H new ATOM 0 HH12 ARG A 26 13.325 39.467 6.325 1.00 0.00 H new ATOM 0 HH21 ARG A 26 11.261 37.861 8.689 1.00 0.00 H new ATOM 0 HH22 ARG A 26 12.190 39.315 8.309 1.00 0.00 H new ATOM 468 N ARG A 27 11.623 31.776 2.903 1.00 0.00 N ATOM 469 CA ARG A 27 11.899 31.098 1.642 1.00 0.00 C ATOM 470 C ARG A 27 13.375 30.723 1.539 1.00 0.00 C ATOM 471 O ARG A 27 14.262 31.478 1.937 1.00 0.00 O ATOM 472 CB ARG A 27 11.505 31.989 0.463 1.00 0.00 C ATOM 473 CG ARG A 27 10.664 31.276 -0.584 1.00 0.00 C ATOM 474 CD ARG A 27 11.450 31.039 -1.864 1.00 0.00 C ATOM 475 NE ARG A 27 10.625 30.442 -2.910 1.00 0.00 N ATOM 476 CZ ARG A 27 9.768 31.133 -3.654 1.00 0.00 C ATOM 477 NH1 ARG A 27 9.624 32.438 -3.467 1.00 0.00 N ATOM 478 NH2 ARG A 27 9.052 30.518 -4.587 1.00 0.00 N ATOM 0 H ARG A 27 11.057 32.620 2.813 1.00 0.00 H new ATOM 0 HA ARG A 27 11.306 30.184 1.612 1.00 0.00 H new ATOM 0 HB2 ARG A 27 10.951 32.849 0.838 1.00 0.00 H new ATOM 0 HB3 ARG A 27 12.409 32.373 -0.009 1.00 0.00 H new ATOM 0 HG2 ARG A 27 10.318 30.322 -0.186 1.00 0.00 H new ATOM 0 HG3 ARG A 27 9.777 31.869 -0.805 1.00 0.00 H new ATOM 0 HD2 ARG A 27 11.857 31.985 -2.220 1.00 0.00 H new ATOM 0 HD3 ARG A 27 12.297 30.386 -1.654 1.00 0.00 H new ATOM 0 HE ARG A 27 10.711 29.440 -3.079 1.00 0.00 H new ATOM 0 HH11 ARG A 27 10.172 32.914 -2.750 1.00 0.00 H new ATOM 0 HH12 ARG A 27 8.965 32.966 -4.040 1.00 0.00 H new ATOM 0 HH21 ARG A 27 9.159 29.514 -4.733 1.00 0.00 H new ATOM 0 HH22 ARG A 27 8.394 31.049 -5.158 1.00 0.00 H new ATOM 492 N PRO A 28 13.645 29.529 0.991 1.00 0.00 N ATOM 493 CA PRO A 28 15.012 29.026 0.822 1.00 0.00 C ATOM 494 C PRO A 28 15.786 29.799 -0.241 1.00 0.00 C ATOM 495 O PRO A 28 15.204 30.547 -1.026 1.00 0.00 O ATOM 496 CB PRO A 28 14.804 27.575 0.383 1.00 0.00 C ATOM 497 CG PRO A 28 13.456 27.559 -0.251 1.00 0.00 C ATOM 498 CD PRO A 28 12.637 28.577 0.494 1.00 0.00 C ATOM 0 HA PRO A 28 15.601 29.129 1.734 1.00 0.00 H new ATOM 0 HB2 PRO A 28 15.575 27.260 -0.320 1.00 0.00 H new ATOM 0 HB3 PRO A 28 14.850 26.894 1.233 1.00 0.00 H new ATOM 0 HG2 PRO A 28 13.520 27.809 -1.310 1.00 0.00 H new ATOM 0 HG3 PRO A 28 13.004 26.569 -0.183 1.00 0.00 H new ATOM 0 HD2 PRO A 28 11.912 29.064 -0.158 1.00 0.00 H new ATOM 0 HD3 PRO A 28 12.077 28.122 1.311 1.00 0.00 H new ATOM 506 N SER A 29 17.102 29.612 -0.260 1.00 0.00 N ATOM 507 CA SER A 29 17.957 30.294 -1.225 1.00 0.00 C ATOM 508 C SER A 29 18.545 29.303 -2.225 1.00 0.00 C ATOM 509 O SER A 29 18.584 28.100 -1.971 1.00 0.00 O ATOM 510 CB SER A 29 19.082 31.038 -0.504 1.00 0.00 C ATOM 511 OG SER A 29 18.780 32.416 -0.374 1.00 0.00 O ATOM 0 H SER A 29 17.599 28.994 0.382 1.00 0.00 H new ATOM 0 HA SER A 29 17.347 31.014 -1.770 1.00 0.00 H new ATOM 0 HB2 SER A 29 19.237 30.602 0.483 1.00 0.00 H new ATOM 0 HB3 SER A 29 20.014 30.917 -1.056 1.00 0.00 H new ATOM 0 HG SER A 29 19.514 32.869 0.092 1.00 0.00 H new ATOM 517 N GLN A 30 19.002 29.820 -3.361 1.00 0.00 N ATOM 518 CA GLN A 30 19.588 28.981 -4.400 1.00 0.00 C ATOM 519 C GLN A 30 20.770 28.186 -3.855 1.00 0.00 C ATOM 520 O GLN A 30 21.150 27.158 -4.415 1.00 0.00 O ATOM 521 CB GLN A 30 20.037 29.839 -5.584 1.00 0.00 C ATOM 522 CG GLN A 30 18.933 30.106 -6.595 1.00 0.00 C ATOM 523 CD GLN A 30 18.877 31.558 -7.027 1.00 0.00 C ATOM 524 OE1 GLN A 30 19.908 32.182 -7.282 1.00 0.00 O ATOM 525 NE2 GLN A 30 17.670 32.104 -7.114 1.00 0.00 N ATOM 0 H GLN A 30 18.978 30.815 -3.585 1.00 0.00 H new ATOM 0 HA GLN A 30 18.826 28.278 -4.738 1.00 0.00 H new ATOM 0 HB2 GLN A 30 20.414 30.791 -5.210 1.00 0.00 H new ATOM 0 HB3 GLN A 30 20.867 29.343 -6.087 1.00 0.00 H new ATOM 0 HG2 GLN A 30 19.087 29.476 -7.471 1.00 0.00 H new ATOM 0 HG3 GLN A 30 17.973 29.822 -6.163 1.00 0.00 H new ATOM 0 HE21 GLN A 30 16.843 31.550 -6.893 1.00 0.00 H new ATOM 0 HE22 GLN A 30 17.570 33.078 -7.402 1.00 0.00 H new ATOM 534 N ASP A 31 21.348 28.669 -2.761 1.00 0.00 N ATOM 535 CA ASP A 31 22.487 28.004 -2.140 1.00 0.00 C ATOM 536 C ASP A 31 22.060 26.693 -1.487 1.00 0.00 C ATOM 537 O ASP A 31 22.713 25.662 -1.655 1.00 0.00 O ATOM 538 CB ASP A 31 23.134 28.919 -1.099 1.00 0.00 C ATOM 539 CG ASP A 31 24.261 29.750 -1.681 1.00 0.00 C ATOM 540 OD1 ASP A 31 24.117 30.227 -2.826 1.00 0.00 O ATOM 541 OD2 ASP A 31 25.287 29.924 -0.990 1.00 0.00 O ATOM 0 H ASP A 31 21.046 29.519 -2.286 1.00 0.00 H new ATOM 0 HA ASP A 31 23.216 27.781 -2.919 1.00 0.00 H new ATOM 0 HB2 ASP A 31 22.376 29.582 -0.680 1.00 0.00 H new ATOM 0 HB3 ASP A 31 23.518 28.315 -0.277 1.00 0.00 H new ATOM 546 N ASP A 32 20.962 26.739 -0.741 1.00 0.00 N ATOM 547 CA ASP A 32 20.447 25.555 -0.063 1.00 0.00 C ATOM 548 C ASP A 32 19.606 24.707 -1.012 1.00 0.00 C ATOM 549 O ASP A 32 19.612 23.478 -0.934 1.00 0.00 O ATOM 550 CB ASP A 32 19.614 25.960 1.154 1.00 0.00 C ATOM 551 CG ASP A 32 20.094 25.298 2.431 1.00 0.00 C ATOM 552 OD1 ASP A 32 21.261 25.525 2.815 1.00 0.00 O ATOM 553 OD2 ASP A 32 19.303 24.554 3.047 1.00 0.00 O ATOM 0 H ASP A 32 20.411 27.584 -0.590 1.00 0.00 H new ATOM 0 HA ASP A 32 21.297 24.959 0.270 1.00 0.00 H new ATOM 0 HB2 ASP A 32 19.653 27.043 1.273 1.00 0.00 H new ATOM 0 HB3 ASP A 32 18.571 25.695 0.981 1.00 0.00 H new ATOM 558 N VAL A 33 18.882 25.371 -1.907 1.00 0.00 N ATOM 559 CA VAL A 33 18.036 24.679 -2.871 1.00 0.00 C ATOM 560 C VAL A 33 18.873 23.886 -3.868 1.00 0.00 C ATOM 561 O VAL A 33 18.617 22.707 -4.108 1.00 0.00 O ATOM 562 CB VAL A 33 17.139 25.667 -3.641 1.00 0.00 C ATOM 563 CG1 VAL A 33 16.300 24.931 -4.676 1.00 0.00 C ATOM 564 CG2 VAL A 33 16.253 26.443 -2.679 1.00 0.00 C ATOM 0 H VAL A 33 18.865 26.388 -1.984 1.00 0.00 H new ATOM 0 HA VAL A 33 17.406 23.993 -2.304 1.00 0.00 H new ATOM 0 HB VAL A 33 17.778 26.378 -4.165 1.00 0.00 H new ATOM 0 HG11 VAL A 33 15.673 25.645 -5.210 1.00 0.00 H new ATOM 0 HG12 VAL A 33 16.957 24.425 -5.383 1.00 0.00 H new ATOM 0 HG13 VAL A 33 15.669 24.196 -4.177 1.00 0.00 H new ATOM 0 HG21 VAL A 33 15.626 27.136 -3.240 1.00 0.00 H new ATOM 0 HG22 VAL A 33 15.621 25.748 -2.126 1.00 0.00 H new ATOM 0 HG23 VAL A 33 16.876 27.001 -1.980 1.00 0.00 H new ATOM 574 N GLU A 34 19.875 24.542 -4.445 1.00 0.00 N ATOM 575 CA GLU A 34 20.750 23.897 -5.416 1.00 0.00 C ATOM 576 C GLU A 34 21.739 22.964 -4.723 1.00 0.00 C ATOM 577 O GLU A 34 22.462 22.213 -5.376 1.00 0.00 O ATOM 578 CB GLU A 34 21.508 24.948 -6.230 1.00 0.00 C ATOM 579 CG GLU A 34 21.849 24.497 -7.640 1.00 0.00 C ATOM 580 CD GLU A 34 22.027 25.660 -8.597 1.00 0.00 C ATOM 581 OE1 GLU A 34 22.818 26.573 -8.282 1.00 0.00 O ATOM 582 OE2 GLU A 34 21.376 25.656 -9.663 1.00 0.00 O ATOM 0 H GLU A 34 20.101 25.519 -4.257 1.00 0.00 H new ATOM 0 HA GLU A 34 20.129 23.305 -6.089 1.00 0.00 H new ATOM 0 HB2 GLU A 34 20.908 25.856 -6.283 1.00 0.00 H new ATOM 0 HB3 GLU A 34 22.429 25.205 -5.707 1.00 0.00 H new ATOM 0 HG2 GLU A 34 22.765 23.907 -7.617 1.00 0.00 H new ATOM 0 HG3 GLU A 34 21.058 23.844 -8.010 1.00 0.00 H new ATOM 589 N ALA A 35 21.764 23.019 -3.396 1.00 0.00 N ATOM 590 CA ALA A 35 22.663 22.179 -2.613 1.00 0.00 C ATOM 591 C ALA A 35 22.178 20.733 -2.586 1.00 0.00 C ATOM 592 O ALA A 35 22.978 19.802 -2.499 1.00 0.00 O ATOM 593 CB ALA A 35 22.792 22.721 -1.197 1.00 0.00 C ATOM 0 H ALA A 35 21.172 23.636 -2.840 1.00 0.00 H new ATOM 0 HA ALA A 35 23.644 22.197 -3.088 1.00 0.00 H new ATOM 0 HB1 ALA A 35 23.466 22.084 -0.624 1.00 0.00 H new ATOM 0 HB2 ALA A 35 23.191 23.735 -1.230 1.00 0.00 H new ATOM 0 HB3 ALA A 35 21.811 22.733 -0.721 1.00 0.00 H new ATOM 599 N ALA A 36 20.863 20.553 -2.661 1.00 0.00 N ATOM 600 CA ALA A 36 20.273 19.221 -2.647 1.00 0.00 C ATOM 601 C ALA A 36 20.241 18.619 -4.047 1.00 0.00 C ATOM 602 O ALA A 36 20.343 19.322 -5.053 1.00 0.00 O ATOM 603 CB ALA A 36 18.870 19.272 -2.060 1.00 0.00 C ATOM 0 H ALA A 36 20.187 21.313 -2.732 1.00 0.00 H new ATOM 0 HA ALA A 36 20.895 18.582 -2.020 1.00 0.00 H new ATOM 0 HB1 ALA A 36 18.441 18.270 -2.056 1.00 0.00 H new ATOM 0 HB2 ALA A 36 18.916 19.652 -1.039 1.00 0.00 H new ATOM 0 HB3 ALA A 36 18.247 19.931 -2.664 1.00 0.00 H new ATOM 609 N PRO A 37 20.096 17.288 -4.117 1.00 0.00 N ATOM 610 CA PRO A 37 20.047 16.563 -5.390 1.00 0.00 C ATOM 611 C PRO A 37 18.765 16.841 -6.167 1.00 0.00 C ATOM 612 O PRO A 37 17.902 17.590 -5.710 1.00 0.00 O ATOM 613 CB PRO A 37 20.106 15.094 -4.964 1.00 0.00 C ATOM 614 CG PRO A 37 19.561 15.079 -3.578 1.00 0.00 C ATOM 615 CD PRO A 37 19.968 16.388 -2.959 1.00 0.00 C ATOM 0 HA PRO A 37 20.855 16.860 -6.059 1.00 0.00 H new ATOM 0 HB2 PRO A 37 19.514 14.465 -5.629 1.00 0.00 H new ATOM 0 HB3 PRO A 37 21.127 14.715 -4.992 1.00 0.00 H new ATOM 0 HG2 PRO A 37 18.476 14.972 -3.586 1.00 0.00 H new ATOM 0 HG3 PRO A 37 19.960 14.238 -3.011 1.00 0.00 H new ATOM 0 HD2 PRO A 37 19.221 16.747 -2.251 1.00 0.00 H new ATOM 0 HD3 PRO A 37 20.907 16.300 -2.413 1.00 0.00 H new ATOM 623 N GLU A 38 18.647 16.233 -7.344 1.00 0.00 N ATOM 624 CA GLU A 38 17.470 16.417 -8.184 1.00 0.00 C ATOM 625 C GLU A 38 16.201 16.017 -7.436 1.00 0.00 C ATOM 626 O GLU A 38 15.290 16.826 -7.263 1.00 0.00 O ATOM 627 CB GLU A 38 17.598 15.596 -9.468 1.00 0.00 C ATOM 628 CG GLU A 38 16.709 16.088 -10.597 1.00 0.00 C ATOM 629 CD GLU A 38 17.428 16.129 -11.931 1.00 0.00 C ATOM 630 OE1 GLU A 38 18.349 15.311 -12.135 1.00 0.00 O ATOM 631 OE2 GLU A 38 17.068 16.980 -12.772 1.00 0.00 O ATOM 0 H GLU A 38 19.352 15.609 -7.737 1.00 0.00 H new ATOM 0 HA GLU A 38 17.402 17.474 -8.443 1.00 0.00 H new ATOM 0 HB2 GLU A 38 18.636 15.616 -9.800 1.00 0.00 H new ATOM 0 HB3 GLU A 38 17.353 14.557 -9.250 1.00 0.00 H new ATOM 0 HG2 GLU A 38 15.838 15.438 -10.678 1.00 0.00 H new ATOM 0 HG3 GLU A 38 16.341 17.085 -10.356 1.00 0.00 H new ATOM 638 N GLU A 39 16.150 14.763 -6.997 1.00 0.00 N ATOM 639 CA GLU A 39 14.992 14.256 -6.270 1.00 0.00 C ATOM 640 C GLU A 39 14.609 15.197 -5.132 1.00 0.00 C ATOM 641 O GLU A 39 13.464 15.641 -5.036 1.00 0.00 O ATOM 642 CB GLU A 39 15.283 12.859 -5.715 1.00 0.00 C ATOM 643 CG GLU A 39 14.461 11.762 -6.370 1.00 0.00 C ATOM 644 CD GLU A 39 15.276 10.916 -7.328 1.00 0.00 C ATOM 645 OE1 GLU A 39 16.176 10.188 -6.860 1.00 0.00 O ATOM 646 OE2 GLU A 39 15.013 10.982 -8.548 1.00 0.00 O ATOM 0 H GLU A 39 16.896 14.081 -7.132 1.00 0.00 H new ATOM 0 HA GLU A 39 14.155 14.197 -6.966 1.00 0.00 H new ATOM 0 HB2 GLU A 39 16.342 12.637 -5.849 1.00 0.00 H new ATOM 0 HB3 GLU A 39 15.089 12.856 -4.642 1.00 0.00 H new ATOM 0 HG2 GLU A 39 14.035 11.122 -5.597 1.00 0.00 H new ATOM 0 HG3 GLU A 39 13.626 12.211 -6.908 1.00 0.00 H new ATOM 653 N THR A 40 15.575 15.498 -4.270 1.00 0.00 N ATOM 654 CA THR A 40 15.340 16.385 -3.137 1.00 0.00 C ATOM 655 C THR A 40 14.829 17.745 -3.600 1.00 0.00 C ATOM 656 O THR A 40 13.844 18.261 -3.072 1.00 0.00 O ATOM 657 CB THR A 40 16.621 16.587 -2.306 1.00 0.00 C ATOM 658 OG1 THR A 40 17.097 15.325 -1.825 1.00 0.00 O ATOM 659 CG2 THR A 40 16.363 17.518 -1.131 1.00 0.00 C ATOM 0 H THR A 40 16.528 15.140 -4.335 1.00 0.00 H new ATOM 0 HA THR A 40 14.583 15.908 -2.514 1.00 0.00 H new ATOM 0 HB THR A 40 17.377 17.039 -2.948 1.00 0.00 H new ATOM 0 HG1 THR A 40 17.813 15.473 -1.173 1.00 0.00 H new ATOM 0 HG21 THR A 40 17.282 17.645 -0.559 1.00 0.00 H new ATOM 0 HG22 THR A 40 16.029 18.487 -1.501 1.00 0.00 H new ATOM 0 HG23 THR A 40 15.593 17.090 -0.490 1.00 0.00 H new ATOM 667 N ARG A 41 15.504 18.319 -4.590 1.00 0.00 N ATOM 668 CA ARG A 41 15.118 19.620 -5.124 1.00 0.00 C ATOM 669 C ARG A 41 13.643 19.631 -5.515 1.00 0.00 C ATOM 670 O ARG A 41 12.935 20.610 -5.279 1.00 0.00 O ATOM 671 CB ARG A 41 15.981 19.974 -6.337 1.00 0.00 C ATOM 672 CG ARG A 41 17.126 20.920 -6.014 1.00 0.00 C ATOM 673 CD ARG A 41 18.240 20.817 -7.044 1.00 0.00 C ATOM 674 NE ARG A 41 18.365 22.035 -7.839 1.00 0.00 N ATOM 675 CZ ARG A 41 17.592 22.315 -8.882 1.00 0.00 C ATOM 676 NH1 ARG A 41 16.643 21.467 -9.254 1.00 0.00 N ATOM 677 NH2 ARG A 41 17.767 23.445 -9.556 1.00 0.00 N ATOM 0 H ARG A 41 16.321 17.904 -5.039 1.00 0.00 H new ATOM 0 HA ARG A 41 15.275 20.366 -4.345 1.00 0.00 H new ATOM 0 HB2 ARG A 41 16.388 19.057 -6.763 1.00 0.00 H new ATOM 0 HB3 ARG A 41 15.350 20.428 -7.101 1.00 0.00 H new ATOM 0 HG2 ARG A 41 16.755 21.944 -5.979 1.00 0.00 H new ATOM 0 HG3 ARG A 41 17.521 20.690 -5.024 1.00 0.00 H new ATOM 0 HD2 ARG A 41 19.184 20.616 -6.538 1.00 0.00 H new ATOM 0 HD3 ARG A 41 18.046 19.972 -7.704 1.00 0.00 H new ATOM 0 HE ARG A 41 19.086 22.708 -7.579 1.00 0.00 H new ATOM 0 HH11 ARG A 41 16.505 20.598 -8.739 1.00 0.00 H new ATOM 0 HH12 ARG A 41 16.051 21.684 -10.055 1.00 0.00 H new ATOM 0 HH21 ARG A 41 18.496 24.100 -9.273 1.00 0.00 H new ATOM 0 HH22 ARG A 41 17.172 23.658 -10.357 1.00 0.00 H new ATOM 691 N ALA A 42 13.187 18.536 -6.115 1.00 0.00 N ATOM 692 CA ALA A 42 11.797 18.420 -6.537 1.00 0.00 C ATOM 693 C ALA A 42 10.858 18.394 -5.336 1.00 0.00 C ATOM 694 O ALA A 42 9.892 19.156 -5.272 1.00 0.00 O ATOM 695 CB ALA A 42 11.606 17.171 -7.386 1.00 0.00 C ATOM 0 H ALA A 42 13.760 17.717 -6.319 1.00 0.00 H new ATOM 0 HA ALA A 42 11.551 19.296 -7.137 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.563 17.097 -7.694 1.00 0.00 H new ATOM 0 HB2 ALA A 42 12.242 17.231 -8.269 1.00 0.00 H new ATOM 0 HB3 ALA A 42 11.876 16.290 -6.803 1.00 0.00 H new ATOM 701 N LEU A 43 11.147 17.512 -4.384 1.00 0.00 N ATOM 702 CA LEU A 43 10.328 17.387 -3.184 1.00 0.00 C ATOM 703 C LEU A 43 10.278 18.705 -2.418 1.00 0.00 C ATOM 704 O LEU A 43 9.202 19.190 -2.067 1.00 0.00 O ATOM 705 CB LEU A 43 10.878 16.280 -2.281 1.00 0.00 C ATOM 706 CG LEU A 43 11.232 14.964 -2.973 1.00 0.00 C ATOM 707 CD1 LEU A 43 12.507 14.379 -2.387 1.00 0.00 C ATOM 708 CD2 LEU A 43 10.084 13.972 -2.853 1.00 0.00 C ATOM 0 H LEU A 43 11.942 16.874 -4.421 1.00 0.00 H new ATOM 0 HA LEU A 43 9.315 17.128 -3.491 1.00 0.00 H new ATOM 0 HB2 LEU A 43 11.771 16.656 -1.781 1.00 0.00 H new ATOM 0 HB3 LEU A 43 10.142 16.073 -1.505 1.00 0.00 H new ATOM 0 HG LEU A 43 11.402 15.166 -4.030 1.00 0.00 H new ATOM 0 HD11 LEU A 43 12.743 13.442 -2.892 1.00 0.00 H new ATOM 0 HD12 LEU A 43 13.328 15.083 -2.526 1.00 0.00 H new ATOM 0 HD13 LEU A 43 12.366 14.192 -1.323 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.354 13.041 -3.351 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.882 13.775 -1.800 1.00 0.00 H new ATOM 0 HD23 LEU A 43 9.192 14.389 -3.321 1.00 0.00 H new ATOM 720 N TYR A 44 11.448 19.281 -2.165 1.00 0.00 N ATOM 721 CA TYR A 44 11.537 20.543 -1.441 1.00 0.00 C ATOM 722 C TYR A 44 10.729 21.631 -2.141 1.00 0.00 C ATOM 723 O TYR A 44 9.886 22.286 -1.527 1.00 0.00 O ATOM 724 CB TYR A 44 12.998 20.980 -1.313 1.00 0.00 C ATOM 725 CG TYR A 44 13.780 20.187 -0.291 1.00 0.00 C ATOM 726 CD1 TYR A 44 13.221 19.077 0.331 1.00 0.00 C ATOM 727 CD2 TYR A 44 15.076 20.549 0.055 1.00 0.00 C ATOM 728 CE1 TYR A 44 13.932 18.350 1.267 1.00 0.00 C ATOM 729 CE2 TYR A 44 15.794 19.827 0.988 1.00 0.00 C ATOM 730 CZ TYR A 44 15.218 18.728 1.592 1.00 0.00 C ATOM 731 OH TYR A 44 15.929 18.007 2.523 1.00 0.00 O ATOM 0 H TYR A 44 12.347 18.894 -2.451 1.00 0.00 H new ATOM 0 HA TYR A 44 11.121 20.391 -0.445 1.00 0.00 H new ATOM 0 HB2 TYR A 44 13.484 20.884 -2.284 1.00 0.00 H new ATOM 0 HB3 TYR A 44 13.030 22.036 -1.044 1.00 0.00 H new ATOM 0 HD1 TYR A 44 12.214 18.778 0.079 1.00 0.00 H new ATOM 0 HD2 TYR A 44 15.530 21.410 -0.414 1.00 0.00 H new ATOM 0 HE1 TYR A 44 13.483 17.490 1.742 1.00 0.00 H new ATOM 0 HE2 TYR A 44 16.801 20.121 1.244 1.00 0.00 H new ATOM 0 HH TYR A 44 16.063 18.552 3.326 1.00 0.00 H new ATOM 741 N ARG A 45 10.992 21.817 -3.430 1.00 0.00 N ATOM 742 CA ARG A 45 10.290 22.826 -4.215 1.00 0.00 C ATOM 743 C ARG A 45 8.797 22.518 -4.285 1.00 0.00 C ATOM 744 O ARG A 45 7.977 23.417 -4.474 1.00 0.00 O ATOM 745 CB ARG A 45 10.873 22.900 -5.628 1.00 0.00 C ATOM 746 CG ARG A 45 12.092 23.801 -5.737 1.00 0.00 C ATOM 747 CD ARG A 45 11.732 25.156 -6.326 1.00 0.00 C ATOM 748 NE ARG A 45 12.801 25.688 -7.167 1.00 0.00 N ATOM 749 CZ ARG A 45 12.686 26.800 -7.886 1.00 0.00 C ATOM 750 NH1 ARG A 45 11.556 27.493 -7.864 1.00 0.00 N ATOM 751 NH2 ARG A 45 13.703 27.220 -8.627 1.00 0.00 N ATOM 0 H ARG A 45 11.686 21.283 -3.953 1.00 0.00 H new ATOM 0 HA ARG A 45 10.422 23.790 -3.724 1.00 0.00 H new ATOM 0 HB2 ARG A 45 11.144 21.896 -5.953 1.00 0.00 H new ATOM 0 HB3 ARG A 45 10.104 23.260 -6.311 1.00 0.00 H new ATOM 0 HG2 ARG A 45 12.534 23.938 -4.750 1.00 0.00 H new ATOM 0 HG3 ARG A 45 12.846 23.321 -6.360 1.00 0.00 H new ATOM 0 HD2 ARG A 45 10.819 25.065 -6.915 1.00 0.00 H new ATOM 0 HD3 ARG A 45 11.522 25.858 -5.519 1.00 0.00 H new ATOM 0 HE ARG A 45 13.684 25.179 -7.205 1.00 0.00 H new ATOM 0 HH11 ARG A 45 10.773 27.173 -7.294 1.00 0.00 H new ATOM 0 HH12 ARG A 45 11.470 28.346 -8.417 1.00 0.00 H new ATOM 0 HH21 ARG A 45 14.574 26.689 -8.645 1.00 0.00 H new ATOM 0 HH22 ARG A 45 13.614 28.073 -9.178 1.00 0.00 H new ATOM 765 N GLU A 46 8.453 21.243 -4.133 1.00 0.00 N ATOM 766 CA GLU A 46 7.059 20.819 -4.181 1.00 0.00 C ATOM 767 C GLU A 46 6.292 21.330 -2.964 1.00 0.00 C ATOM 768 O GLU A 46 5.272 22.006 -3.099 1.00 0.00 O ATOM 769 CB GLU A 46 6.969 19.292 -4.249 1.00 0.00 C ATOM 770 CG GLU A 46 5.567 18.776 -4.526 1.00 0.00 C ATOM 771 CD GLU A 46 5.539 17.719 -5.612 1.00 0.00 C ATOM 772 OE1 GLU A 46 6.284 16.725 -5.491 1.00 0.00 O ATOM 773 OE2 GLU A 46 4.772 17.887 -6.584 1.00 0.00 O ATOM 0 H GLU A 46 9.119 20.487 -3.976 1.00 0.00 H new ATOM 0 HA GLU A 46 6.608 21.243 -5.078 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.640 18.931 -5.028 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.321 18.873 -3.306 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.149 18.361 -3.609 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.928 19.609 -4.819 1.00 0.00 H new ATOM 780 N TYR A 47 6.791 21.002 -1.778 1.00 0.00 N ATOM 781 CA TYR A 47 6.152 21.425 -0.537 1.00 0.00 C ATOM 782 C TYR A 47 6.291 22.932 -0.339 1.00 0.00 C ATOM 783 O TYR A 47 5.468 23.560 0.326 1.00 0.00 O ATOM 784 CB TYR A 47 6.763 20.685 0.654 1.00 0.00 C ATOM 785 CG TYR A 47 6.321 21.226 1.995 1.00 0.00 C ATOM 786 CD1 TYR A 47 5.082 20.892 2.527 1.00 0.00 C ATOM 787 CD2 TYR A 47 7.144 22.071 2.730 1.00 0.00 C ATOM 788 CE1 TYR A 47 4.674 21.384 3.751 1.00 0.00 C ATOM 789 CE2 TYR A 47 6.745 22.567 3.956 1.00 0.00 C ATOM 790 CZ TYR A 47 5.509 22.221 4.462 1.00 0.00 C ATOM 791 OH TYR A 47 5.107 22.713 5.683 1.00 0.00 O ATOM 0 H TYR A 47 7.636 20.445 -1.649 1.00 0.00 H new ATOM 0 HA TYR A 47 5.092 21.181 -0.603 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.496 19.630 0.591 1.00 0.00 H new ATOM 0 HB3 TYR A 47 7.849 20.743 0.588 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.426 20.236 1.974 1.00 0.00 H new ATOM 0 HD2 TYR A 47 8.112 22.344 2.336 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.707 21.115 4.149 1.00 0.00 H new ATOM 0 HE2 TYR A 47 7.397 23.222 4.515 1.00 0.00 H new ATOM 0 HH TYR A 47 5.828 22.596 6.336 1.00 0.00 H new ATOM 801 N ARG A 48 7.339 23.504 -0.922 1.00 0.00 N ATOM 802 CA ARG A 48 7.587 24.937 -0.810 1.00 0.00 C ATOM 803 C ARG A 48 6.612 25.727 -1.678 1.00 0.00 C ATOM 804 O ARG A 48 6.085 26.758 -1.258 1.00 0.00 O ATOM 805 CB ARG A 48 9.026 25.260 -1.218 1.00 0.00 C ATOM 806 CG ARG A 48 9.988 25.339 -0.044 1.00 0.00 C ATOM 807 CD ARG A 48 9.602 26.452 0.919 1.00 0.00 C ATOM 808 NE ARG A 48 8.879 25.943 2.081 1.00 0.00 N ATOM 809 CZ ARG A 48 8.147 26.708 2.883 1.00 0.00 C ATOM 810 NH1 ARG A 48 8.041 28.009 2.649 1.00 0.00 N ATOM 811 NH2 ARG A 48 7.518 26.172 3.921 1.00 0.00 N ATOM 0 H ARG A 48 8.030 22.998 -1.476 1.00 0.00 H new ATOM 0 HA ARG A 48 7.437 25.226 0.230 1.00 0.00 H new ATOM 0 HB2 ARG A 48 9.377 24.498 -1.914 1.00 0.00 H new ATOM 0 HB3 ARG A 48 9.039 26.210 -1.752 1.00 0.00 H new ATOM 0 HG2 ARG A 48 9.997 24.386 0.485 1.00 0.00 H new ATOM 0 HG3 ARG A 48 11.000 25.509 -0.412 1.00 0.00 H new ATOM 0 HD2 ARG A 48 10.500 26.973 1.250 1.00 0.00 H new ATOM 0 HD3 ARG A 48 8.983 27.183 0.399 1.00 0.00 H new ATOM 0 HE ARG A 48 8.939 24.946 2.288 1.00 0.00 H new ATOM 0 HH11 ARG A 48 8.522 28.425 1.851 1.00 0.00 H new ATOM 0 HH12 ARG A 48 7.478 28.594 3.267 1.00 0.00 H new ATOM 0 HH21 ARG A 48 7.596 25.172 4.104 1.00 0.00 H new ATOM 0 HH22 ARG A 48 6.956 26.760 4.536 1.00 0.00 H new ATOM 825 N THR A 49 6.376 25.237 -2.891 1.00 0.00 N ATOM 826 CA THR A 49 5.466 25.898 -3.818 1.00 0.00 C ATOM 827 C THR A 49 4.014 25.701 -3.397 1.00 0.00 C ATOM 828 O THR A 49 3.186 26.600 -3.551 1.00 0.00 O ATOM 829 CB THR A 49 5.648 25.371 -5.255 1.00 0.00 C ATOM 830 OG1 THR A 49 6.978 25.644 -5.711 1.00 0.00 O ATOM 831 CG2 THR A 49 4.641 26.013 -6.197 1.00 0.00 C ATOM 0 H THR A 49 6.803 24.385 -3.254 1.00 0.00 H new ATOM 0 HA THR A 49 5.707 26.961 -3.795 1.00 0.00 H new ATOM 0 HB THR A 49 5.480 24.294 -5.249 1.00 0.00 H new ATOM 0 HG1 THR A 49 7.588 24.957 -5.371 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.788 25.626 -7.205 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.630 25.780 -5.863 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.782 27.094 -6.199 1.00 0.00 H new ATOM 839 N LEU A 50 3.712 24.522 -2.866 1.00 0.00 N ATOM 840 CA LEU A 50 2.358 24.208 -2.422 1.00 0.00 C ATOM 841 C LEU A 50 2.022 24.950 -1.132 1.00 0.00 C ATOM 842 O LEU A 50 0.913 25.457 -0.966 1.00 0.00 O ATOM 843 CB LEU A 50 2.207 22.701 -2.210 1.00 0.00 C ATOM 844 CG LEU A 50 1.616 21.915 -3.381 1.00 0.00 C ATOM 845 CD1 LEU A 50 0.145 22.255 -3.565 1.00 0.00 C ATOM 846 CD2 LEU A 50 2.393 22.196 -4.659 1.00 0.00 C ATOM 0 H LEU A 50 4.385 23.768 -2.732 1.00 0.00 H new ATOM 0 HA LEU A 50 1.664 24.532 -3.197 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.188 22.287 -1.979 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.578 22.539 -1.335 1.00 0.00 H new ATOM 0 HG LEU A 50 1.697 20.852 -3.156 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.258 21.686 -4.403 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.403 22.002 -2.657 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.040 23.321 -3.767 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.958 21.628 -5.481 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.345 23.261 -4.888 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.434 21.901 -4.525 1.00 0.00 H new ATOM 858 N LYS A 51 2.989 25.012 -0.223 1.00 0.00 N ATOM 859 CA LYS A 51 2.798 25.696 1.051 1.00 0.00 C ATOM 860 C LYS A 51 2.764 27.208 0.858 1.00 0.00 C ATOM 861 O LYS A 51 1.945 27.902 1.460 1.00 0.00 O ATOM 862 CB LYS A 51 3.917 25.321 2.027 1.00 0.00 C ATOM 863 CG LYS A 51 3.635 25.732 3.462 1.00 0.00 C ATOM 864 CD LYS A 51 4.124 27.142 3.744 1.00 0.00 C ATOM 865 CE LYS A 51 3.129 27.918 4.593 1.00 0.00 C ATOM 866 NZ LYS A 51 2.620 29.126 3.887 1.00 0.00 N ATOM 0 H LYS A 51 3.913 24.597 -0.345 1.00 0.00 H new ATOM 0 HA LYS A 51 1.841 25.379 1.465 1.00 0.00 H new ATOM 0 HB2 LYS A 51 4.073 24.243 1.991 1.00 0.00 H new ATOM 0 HB3 LYS A 51 4.845 25.789 1.700 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.564 25.672 3.655 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.121 25.034 4.144 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.085 27.099 4.256 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.288 27.667 2.803 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.292 27.270 4.854 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.604 28.217 5.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 1.815 29.522 4.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.377 29.837 3.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.312 28.864 2.929 1.00 0.00 H new ATOM 880 N ARG A 52 3.658 27.713 0.013 1.00 0.00 N ATOM 881 CA ARG A 52 3.729 29.143 -0.260 1.00 0.00 C ATOM 882 C ARG A 52 2.496 29.612 -1.026 1.00 0.00 C ATOM 883 O ARG A 52 1.887 30.627 -0.684 1.00 0.00 O ATOM 884 CB ARG A 52 4.993 29.469 -1.057 1.00 0.00 C ATOM 885 CG ARG A 52 6.262 29.455 -0.221 1.00 0.00 C ATOM 886 CD ARG A 52 6.530 30.814 0.407 1.00 0.00 C ATOM 887 NE ARG A 52 6.718 31.855 -0.601 1.00 0.00 N ATOM 888 CZ ARG A 52 6.641 33.155 -0.338 1.00 0.00 C ATOM 889 NH1 ARG A 52 6.383 33.571 0.893 1.00 0.00 N ATOM 890 NH2 ARG A 52 6.825 34.041 -1.309 1.00 0.00 N ATOM 0 H ARG A 52 4.343 27.152 -0.494 1.00 0.00 H new ATOM 0 HA ARG A 52 3.764 29.669 0.694 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.095 28.749 -1.869 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.880 30.452 -1.514 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.175 28.702 0.562 1.00 0.00 H new ATOM 0 HG3 ARG A 52 7.108 29.169 -0.846 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.697 31.084 1.056 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.418 30.754 1.036 1.00 0.00 H new ATOM 0 HE ARG A 52 6.919 31.568 -1.559 1.00 0.00 H new ATOM 0 HH11 ARG A 52 6.243 32.893 1.642 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.324 34.570 1.092 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.026 33.724 -2.257 1.00 0.00 H new ATOM 0 HH22 ARG A 52 6.766 35.039 -1.107 1.00 0.00 H new ATOM 904 N THR A 53 2.132 28.868 -2.066 1.00 0.00 N ATOM 905 CA THR A 53 0.974 29.208 -2.882 1.00 0.00 C ATOM 906 C THR A 53 -0.318 29.079 -2.083 1.00 0.00 C ATOM 907 O THR A 53 -1.112 30.018 -2.009 1.00 0.00 O ATOM 908 CB THR A 53 0.883 28.311 -4.131 1.00 0.00 C ATOM 909 OG1 THR A 53 2.051 28.481 -4.941 1.00 0.00 O ATOM 910 CG2 THR A 53 -0.358 28.642 -4.945 1.00 0.00 C ATOM 0 H THR A 53 2.624 28.025 -2.363 1.00 0.00 H new ATOM 0 HA THR A 53 1.102 30.244 -3.196 1.00 0.00 H new ATOM 0 HB THR A 53 0.817 27.274 -3.803 1.00 0.00 H new ATOM 0 HG1 THR A 53 2.821 28.070 -4.495 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.401 27.996 -5.822 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.247 28.484 -4.334 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.317 29.684 -5.263 1.00 0.00 H new