USER MOD reduce.3.24.130724 H: found=0, std=0, add=430, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 432 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 7 LYS NZ :NH3+ 169:sc= -0.0151 (180deg=-0.15) USER MOD Single : A 15 ASN : amide:sc= -0.111 K(o=-0.11,f=-0.61) USER MOD Single : A 17 LYS NZ :NH3+ -168:sc= 0.416 (180deg=0.334) USER MOD Single : A 20 TYR OH : rot 180:sc= -0.0614 USER MOD Single : A 23 LYS NZ :NH3+ -121:sc= 0.154 (180deg=-0.523) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.698 USER MOD Single : A 32 ASN :FLIP amide:sc= 0.621 F(o=0,f=0.62) USER MOD Single : A 33 THR OG1 : rot 119:sc= 0.899 USER MOD Single : A 39 ASN : amide:sc= -1.13 K(o=-1.1,f=-4.4!) USER MOD Single : A 42 CYS SG : rot 153:sc= -1.46 USER MOD Single : A 51 ASN :FLIP amide:sc=-0.00838 F(o=-1.6,f=-0.0084) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : B 5 GLN :FLIP amide:sc= 0 F(o=-0.72,f=0) USER MOD Single : B 6 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 25 N PHE A 3 6.424 3.700 -2.448 1.00 0.00 N ATOM 26 CA PHE A 3 6.625 4.776 -3.443 1.00 0.00 C ATOM 27 C PHE A 3 8.091 4.812 -3.887 1.00 0.00 C ATOM 28 O PHE A 3 8.992 4.485 -3.106 1.00 0.00 O ATOM 29 CB PHE A 3 6.206 6.152 -2.851 1.00 0.00 C ATOM 30 CG PHE A 3 4.747 6.184 -2.404 1.00 0.00 C ATOM 31 CD1 PHE A 3 3.721 6.363 -3.326 1.00 0.00 C ATOM 32 CD2 PHE A 3 4.399 5.997 -1.068 1.00 0.00 C ATOM 33 CE1 PHE A 3 2.399 6.356 -2.925 1.00 0.00 C ATOM 34 CE2 PHE A 3 3.077 5.995 -0.668 1.00 0.00 C ATOM 35 CZ PHE A 3 2.076 6.174 -1.597 1.00 0.00 C ATOM 0 HA PHE A 3 5.998 4.571 -4.311 1.00 0.00 H new ATOM 0 HB2 PHE A 3 6.847 6.387 -2.001 1.00 0.00 H new ATOM 0 HB3 PHE A 3 6.370 6.929 -3.598 1.00 0.00 H new ATOM 0 HD1 PHE A 3 3.961 6.509 -4.369 1.00 0.00 H new ATOM 0 HD2 PHE A 3 5.176 5.851 -0.332 1.00 0.00 H new ATOM 0 HE1 PHE A 3 1.615 6.494 -3.655 1.00 0.00 H new ATOM 0 HE2 PHE A 3 2.828 5.853 0.373 1.00 0.00 H new ATOM 0 HZ PHE A 3 1.042 6.172 -1.286 1.00 0.00 H new ATOM 45 N VAL A 4 8.302 5.162 -5.160 1.00 0.00 N ATOM 46 CA VAL A 4 9.644 5.317 -5.741 1.00 0.00 C ATOM 47 C VAL A 4 10.383 6.507 -5.111 1.00 0.00 C ATOM 48 O VAL A 4 9.809 7.589 -4.921 1.00 0.00 O ATOM 49 CB VAL A 4 9.585 5.489 -7.305 1.00 0.00 C ATOM 50 CG1 VAL A 4 9.216 4.157 -7.998 1.00 0.00 C ATOM 51 CG2 VAL A 4 8.592 6.608 -7.710 1.00 0.00 C ATOM 0 H VAL A 4 7.547 5.347 -5.820 1.00 0.00 H new ATOM 0 HA VAL A 4 10.195 4.403 -5.520 1.00 0.00 H new ATOM 0 HB VAL A 4 10.580 5.783 -7.640 1.00 0.00 H new ATOM 0 HG11 VAL A 4 9.183 4.305 -9.077 1.00 0.00 H new ATOM 0 HG12 VAL A 4 9.965 3.403 -7.759 1.00 0.00 H new ATOM 0 HG13 VAL A 4 8.240 3.823 -7.647 1.00 0.00 H new ATOM 0 HG21 VAL A 4 8.574 6.703 -8.796 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.594 6.356 -7.351 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.909 7.553 -7.269 1.00 0.00 H new ATOM 61 N VAL A 5 11.648 6.276 -4.751 1.00 0.00 N ATOM 62 CA VAL A 5 12.558 7.323 -4.256 1.00 0.00 C ATOM 63 C VAL A 5 13.514 7.738 -5.380 1.00 0.00 C ATOM 64 O VAL A 5 14.111 6.881 -6.039 1.00 0.00 O ATOM 65 CB VAL A 5 13.350 6.872 -2.966 1.00 0.00 C ATOM 66 CG1 VAL A 5 13.883 5.422 -3.068 1.00 0.00 C ATOM 67 CG2 VAL A 5 14.502 7.862 -2.626 1.00 0.00 C ATOM 0 H VAL A 5 12.077 5.352 -4.794 1.00 0.00 H new ATOM 0 HA VAL A 5 11.957 8.182 -3.957 1.00 0.00 H new ATOM 0 HB VAL A 5 12.631 6.890 -2.147 1.00 0.00 H new ATOM 0 HG11 VAL A 5 14.419 5.166 -2.154 1.00 0.00 H new ATOM 0 HG12 VAL A 5 13.047 4.736 -3.203 1.00 0.00 H new ATOM 0 HG13 VAL A 5 14.559 5.342 -3.919 1.00 0.00 H new ATOM 0 HG21 VAL A 5 15.024 7.519 -1.733 1.00 0.00 H new ATOM 0 HG22 VAL A 5 15.201 7.907 -3.461 1.00 0.00 H new ATOM 0 HG23 VAL A 5 14.088 8.854 -2.446 1.00 0.00 H new ATOM 77 N GLU A 6 13.647 9.059 -5.585 1.00 0.00 N ATOM 78 CA GLU A 6 14.499 9.631 -6.632 1.00 0.00 C ATOM 79 C GLU A 6 15.985 9.426 -6.292 1.00 0.00 C ATOM 80 O GLU A 6 16.732 8.826 -7.077 1.00 0.00 O ATOM 81 CB GLU A 6 14.187 11.141 -6.817 1.00 0.00 C ATOM 82 CG GLU A 6 14.892 11.790 -8.023 1.00 0.00 C ATOM 83 CD GLU A 6 14.559 13.278 -8.200 1.00 0.00 C ATOM 84 OE1 GLU A 6 13.477 13.590 -8.743 1.00 0.00 O ATOM 85 OE2 GLU A 6 15.375 14.140 -7.803 1.00 0.00 O ATOM 0 H GLU A 6 13.163 9.760 -5.025 1.00 0.00 H new ATOM 0 HA GLU A 6 14.288 9.116 -7.569 1.00 0.00 H new ATOM 0 HB2 GLU A 6 13.110 11.267 -6.930 1.00 0.00 H new ATOM 0 HB3 GLU A 6 14.477 11.674 -5.911 1.00 0.00 H new ATOM 0 HG2 GLU A 6 15.970 11.679 -7.907 1.00 0.00 H new ATOM 0 HG3 GLU A 6 14.612 11.253 -8.929 1.00 0.00 H new ATOM 92 N LYS A 7 16.396 9.914 -5.102 1.00 0.00 N ATOM 93 CA LYS A 7 17.802 9.849 -4.659 1.00 0.00 C ATOM 94 C LYS A 7 17.923 9.986 -3.136 1.00 0.00 C ATOM 95 O LYS A 7 16.980 10.423 -2.453 1.00 0.00 O ATOM 96 CB LYS A 7 18.696 10.915 -5.380 1.00 0.00 C ATOM 97 CG LYS A 7 18.550 12.388 -4.906 1.00 0.00 C ATOM 98 CD LYS A 7 17.135 12.973 -5.104 1.00 0.00 C ATOM 99 CE LYS A 7 17.048 14.458 -4.732 1.00 0.00 C ATOM 100 NZ LYS A 7 17.922 15.310 -5.575 1.00 0.00 N ATOM 0 H LYS A 7 15.770 10.358 -4.430 1.00 0.00 H new ATOM 0 HA LYS A 7 18.170 8.862 -4.941 1.00 0.00 H new ATOM 0 HB2 LYS A 7 19.739 10.621 -5.260 1.00 0.00 H new ATOM 0 HB3 LYS A 7 18.475 10.878 -6.447 1.00 0.00 H new ATOM 0 HG2 LYS A 7 18.812 12.447 -3.850 1.00 0.00 H new ATOM 0 HG3 LYS A 7 19.267 13.006 -5.447 1.00 0.00 H new ATOM 0 HD2 LYS A 7 16.837 12.846 -6.145 1.00 0.00 H new ATOM 0 HD3 LYS A 7 16.426 12.409 -4.498 1.00 0.00 H new ATOM 0 HE2 LYS A 7 16.016 14.793 -4.831 1.00 0.00 H new ATOM 0 HE3 LYS A 7 17.325 14.583 -3.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 17.691 16.311 -5.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 18.917 15.140 -5.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 17.771 15.077 -6.577 1.00 0.00 H new ATOM 114 N VAL A 8 19.102 9.586 -2.630 1.00 0.00 N ATOM 115 CA VAL A 8 19.500 9.792 -1.233 1.00 0.00 C ATOM 116 C VAL A 8 20.045 11.221 -1.057 1.00 0.00 C ATOM 117 O VAL A 8 20.905 11.666 -1.817 1.00 0.00 O ATOM 118 CB VAL A 8 20.594 8.759 -0.773 1.00 0.00 C ATOM 119 CG1 VAL A 8 21.005 9.011 0.699 1.00 0.00 C ATOM 120 CG2 VAL A 8 20.119 7.294 -0.978 1.00 0.00 C ATOM 0 H VAL A 8 19.810 9.107 -3.187 1.00 0.00 H new ATOM 0 HA VAL A 8 18.616 9.643 -0.613 1.00 0.00 H new ATOM 0 HB VAL A 8 21.472 8.907 -1.401 1.00 0.00 H new ATOM 0 HG11 VAL A 8 21.762 8.285 0.995 1.00 0.00 H new ATOM 0 HG12 VAL A 8 21.410 10.018 0.796 1.00 0.00 H new ATOM 0 HG13 VAL A 8 20.132 8.908 1.343 1.00 0.00 H new ATOM 0 HG21 VAL A 8 20.900 6.609 -0.649 1.00 0.00 H new ATOM 0 HG22 VAL A 8 19.215 7.120 -0.395 1.00 0.00 H new ATOM 0 HG23 VAL A 8 19.908 7.124 -2.034 1.00 0.00 H new ATOM 130 N LEU A 9 19.518 11.921 -0.059 1.00 0.00 N ATOM 131 CA LEU A 9 19.921 13.287 0.293 1.00 0.00 C ATOM 132 C LEU A 9 21.119 13.255 1.252 1.00 0.00 C ATOM 133 O LEU A 9 22.168 13.858 0.987 1.00 0.00 O ATOM 134 CB LEU A 9 18.727 14.018 0.953 1.00 0.00 C ATOM 135 CG LEU A 9 17.453 14.143 0.061 1.00 0.00 C ATOM 136 CD1 LEU A 9 16.224 14.583 0.875 1.00 0.00 C ATOM 137 CD2 LEU A 9 17.701 15.100 -1.122 1.00 0.00 C ATOM 0 H LEU A 9 18.783 11.551 0.544 1.00 0.00 H new ATOM 0 HA LEU A 9 20.217 13.821 -0.610 1.00 0.00 H new ATOM 0 HB2 LEU A 9 18.460 13.491 1.869 1.00 0.00 H new ATOM 0 HB3 LEU A 9 19.049 15.018 1.243 1.00 0.00 H new ATOM 0 HG LEU A 9 17.239 13.152 -0.339 1.00 0.00 H new ATOM 0 HD11 LEU A 9 15.359 14.658 0.216 1.00 0.00 H new ATOM 0 HD12 LEU A 9 16.023 13.849 1.656 1.00 0.00 H new ATOM 0 HD13 LEU A 9 16.418 15.554 1.331 1.00 0.00 H new ATOM 0 HD21 LEU A 9 16.798 15.170 -1.729 1.00 0.00 H new ATOM 0 HD22 LEU A 9 17.961 16.088 -0.742 1.00 0.00 H new ATOM 0 HD23 LEU A 9 18.520 14.719 -1.733 1.00 0.00 H new ATOM 149 N ASP A 10 20.941 12.521 2.362 1.00 0.00 N ATOM 150 CA ASP A 10 21.905 12.481 3.475 1.00 0.00 C ATOM 151 C ASP A 10 21.798 11.123 4.191 1.00 0.00 C ATOM 152 O ASP A 10 20.850 10.375 3.969 1.00 0.00 O ATOM 153 CB ASP A 10 21.639 13.671 4.458 1.00 0.00 C ATOM 154 CG ASP A 10 22.664 13.801 5.615 1.00 0.00 C ATOM 155 OD1 ASP A 10 23.883 13.662 5.369 1.00 0.00 O ATOM 156 OD2 ASP A 10 22.260 14.047 6.772 1.00 0.00 O ATOM 0 H ASP A 10 20.120 11.935 2.514 1.00 0.00 H new ATOM 0 HA ASP A 10 22.920 12.589 3.092 1.00 0.00 H new ATOM 0 HB2 ASP A 10 21.635 14.600 3.888 1.00 0.00 H new ATOM 0 HB3 ASP A 10 20.643 13.555 4.885 1.00 0.00 H new ATOM 161 N ARG A 11 22.804 10.807 5.002 1.00 0.00 N ATOM 162 CA ARG A 11 22.857 9.589 5.824 1.00 0.00 C ATOM 163 C ARG A 11 23.233 9.964 7.261 1.00 0.00 C ATOM 164 O ARG A 11 24.071 10.839 7.468 1.00 0.00 O ATOM 165 CB ARG A 11 23.895 8.619 5.213 1.00 0.00 C ATOM 166 CG ARG A 11 24.352 7.454 6.114 1.00 0.00 C ATOM 167 CD ARG A 11 25.385 6.548 5.425 1.00 0.00 C ATOM 168 NE ARG A 11 26.099 5.687 6.388 1.00 0.00 N ATOM 169 CZ ARG A 11 26.584 4.464 6.135 1.00 0.00 C ATOM 170 NH1 ARG A 11 26.297 3.830 4.999 1.00 0.00 N ATOM 171 NH2 ARG A 11 27.312 3.861 7.051 1.00 0.00 N ATOM 0 H ARG A 11 23.626 11.400 5.113 1.00 0.00 H new ATOM 0 HA ARG A 11 21.885 9.097 5.842 1.00 0.00 H new ATOM 0 HB2 ARG A 11 23.475 8.200 4.298 1.00 0.00 H new ATOM 0 HB3 ARG A 11 24.775 9.195 4.926 1.00 0.00 H new ATOM 0 HG2 ARG A 11 24.781 7.856 7.032 1.00 0.00 H new ATOM 0 HG3 ARG A 11 23.485 6.859 6.401 1.00 0.00 H new ATOM 0 HD2 ARG A 11 24.883 5.925 4.685 1.00 0.00 H new ATOM 0 HD3 ARG A 11 26.105 7.164 4.887 1.00 0.00 H new ATOM 0 HE ARG A 11 26.235 6.056 7.329 1.00 0.00 H new ATOM 0 HH11 ARG A 11 25.698 4.275 4.304 1.00 0.00 H new ATOM 0 HH12 ARG A 11 26.676 2.899 4.825 1.00 0.00 H new ATOM 0 HH21 ARG A 11 27.500 4.325 7.940 1.00 0.00 H new ATOM 0 HH22 ARG A 11 27.688 2.930 6.872 1.00 0.00 H new ATOM 185 N ARG A 12 22.607 9.291 8.242 1.00 0.00 N ATOM 186 CA ARG A 12 22.941 9.427 9.673 1.00 0.00 C ATOM 187 C ARG A 12 22.974 8.033 10.330 1.00 0.00 C ATOM 188 O ARG A 12 22.591 7.028 9.714 1.00 0.00 O ATOM 189 CB ARG A 12 21.913 10.331 10.407 1.00 0.00 C ATOM 190 CG ARG A 12 20.474 9.775 10.439 1.00 0.00 C ATOM 191 CD ARG A 12 19.528 10.586 11.346 1.00 0.00 C ATOM 192 NE ARG A 12 19.526 12.038 11.056 1.00 0.00 N ATOM 193 CZ ARG A 12 18.552 12.896 11.411 1.00 0.00 C ATOM 194 NH1 ARG A 12 17.406 12.449 11.892 1.00 0.00 N ATOM 195 NH2 ARG A 12 18.722 14.193 11.226 1.00 0.00 N ATOM 0 H ARG A 12 21.849 8.632 8.064 1.00 0.00 H new ATOM 0 HA ARG A 12 23.922 9.896 9.753 1.00 0.00 H new ATOM 0 HB2 ARG A 12 22.251 10.485 11.432 1.00 0.00 H new ATOM 0 HB3 ARG A 12 21.900 11.309 9.925 1.00 0.00 H new ATOM 0 HG2 ARG A 12 20.073 9.764 9.425 1.00 0.00 H new ATOM 0 HG3 ARG A 12 20.499 8.741 10.783 1.00 0.00 H new ATOM 0 HD2 ARG A 12 18.514 10.201 11.236 1.00 0.00 H new ATOM 0 HD3 ARG A 12 19.816 10.432 12.386 1.00 0.00 H new ATOM 0 HE ARG A 12 20.325 12.417 10.548 1.00 0.00 H new ATOM 0 HH11 ARG A 12 17.254 11.446 11.997 1.00 0.00 H new ATOM 0 HH12 ARG A 12 16.673 13.107 12.158 1.00 0.00 H new ATOM 0 HH21 ARG A 12 19.589 14.540 10.816 1.00 0.00 H new ATOM 0 HH22 ARG A 12 17.986 14.847 11.494 1.00 0.00 H new ATOM 209 N VAL A 13 23.447 7.998 11.582 1.00 0.00 N ATOM 210 CA VAL A 13 23.447 6.799 12.432 1.00 0.00 C ATOM 211 C VAL A 13 22.703 7.117 13.748 1.00 0.00 C ATOM 212 O VAL A 13 23.142 7.976 14.519 1.00 0.00 O ATOM 213 CB VAL A 13 24.907 6.301 12.747 1.00 0.00 C ATOM 214 CG1 VAL A 13 24.892 5.067 13.687 1.00 0.00 C ATOM 215 CG2 VAL A 13 25.682 5.990 11.441 1.00 0.00 C ATOM 0 H VAL A 13 23.848 8.816 12.041 1.00 0.00 H new ATOM 0 HA VAL A 13 22.941 5.998 11.894 1.00 0.00 H new ATOM 0 HB VAL A 13 25.426 7.108 13.265 1.00 0.00 H new ATOM 0 HG11 VAL A 13 25.915 4.748 13.885 1.00 0.00 H new ATOM 0 HG12 VAL A 13 24.406 5.331 14.626 1.00 0.00 H new ATOM 0 HG13 VAL A 13 24.344 4.254 13.211 1.00 0.00 H new ATOM 0 HG21 VAL A 13 26.687 5.648 11.687 1.00 0.00 H new ATOM 0 HG22 VAL A 13 25.160 5.211 10.885 1.00 0.00 H new ATOM 0 HG23 VAL A 13 25.744 6.892 10.832 1.00 0.00 H new ATOM 225 N VAL A 14 21.558 6.441 13.973 1.00 0.00 N ATOM 226 CA VAL A 14 20.760 6.559 15.217 1.00 0.00 C ATOM 227 C VAL A 14 20.540 5.147 15.792 1.00 0.00 C ATOM 228 O VAL A 14 20.115 4.252 15.062 1.00 0.00 O ATOM 229 CB VAL A 14 19.367 7.256 14.970 1.00 0.00 C ATOM 230 CG1 VAL A 14 18.507 7.307 16.263 1.00 0.00 C ATOM 231 CG2 VAL A 14 19.548 8.676 14.389 1.00 0.00 C ATOM 0 H VAL A 14 21.156 5.794 13.295 1.00 0.00 H new ATOM 0 HA VAL A 14 21.311 7.185 15.919 1.00 0.00 H new ATOM 0 HB VAL A 14 18.834 6.648 14.239 1.00 0.00 H new ATOM 0 HG11 VAL A 14 17.556 7.795 16.049 1.00 0.00 H new ATOM 0 HG12 VAL A 14 18.323 6.293 16.618 1.00 0.00 H new ATOM 0 HG13 VAL A 14 19.038 7.869 17.031 1.00 0.00 H new ATOM 0 HG21 VAL A 14 18.571 9.131 14.229 1.00 0.00 H new ATOM 0 HG22 VAL A 14 20.122 9.285 15.088 1.00 0.00 H new ATOM 0 HG23 VAL A 14 20.079 8.616 13.439 1.00 0.00 H new ATOM 241 N ASN A 15 20.871 4.966 17.093 1.00 0.00 N ATOM 242 CA ASN A 15 20.732 3.676 17.819 1.00 0.00 C ATOM 243 C ASN A 15 21.701 2.604 17.243 1.00 0.00 C ATOM 244 O ASN A 15 21.579 1.408 17.527 1.00 0.00 O ATOM 245 CB ASN A 15 19.234 3.193 17.814 1.00 0.00 C ATOM 246 CG ASN A 15 18.935 2.030 18.770 1.00 0.00 C ATOM 247 OD1 ASN A 15 19.549 1.905 19.829 1.00 0.00 O ATOM 248 ND2 ASN A 15 18.016 1.154 18.386 1.00 0.00 N ATOM 0 H ASN A 15 21.245 5.716 17.675 1.00 0.00 H new ATOM 0 HA ASN A 15 21.016 3.831 18.860 1.00 0.00 H new ATOM 0 HB2 ASN A 15 18.593 4.035 18.076 1.00 0.00 H new ATOM 0 HB3 ASN A 15 18.966 2.892 16.801 1.00 0.00 H new ATOM 0 HD21 ASN A 15 17.801 0.349 18.975 1.00 0.00 H new ATOM 0 HD22 ASN A 15 17.524 1.285 17.502 1.00 0.00 H new ATOM 255 N GLY A 16 22.700 3.067 16.462 1.00 0.00 N ATOM 256 CA GLY A 16 23.652 2.182 15.793 1.00 0.00 C ATOM 257 C GLY A 16 23.130 1.602 14.474 1.00 0.00 C ATOM 258 O GLY A 16 23.709 0.643 13.950 1.00 0.00 O ATOM 0 H GLY A 16 22.861 4.058 16.284 1.00 0.00 H new ATOM 0 HA2 GLY A 16 24.572 2.733 15.599 1.00 0.00 H new ATOM 0 HA3 GLY A 16 23.907 1.362 16.465 1.00 0.00 H new ATOM 262 N LYS A 17 22.035 2.180 13.936 1.00 0.00 N ATOM 263 CA LYS A 17 21.486 1.796 12.618 1.00 0.00 C ATOM 264 C LYS A 17 21.756 2.931 11.620 1.00 0.00 C ATOM 265 O LYS A 17 21.937 4.084 12.021 1.00 0.00 O ATOM 266 CB LYS A 17 19.952 1.499 12.700 1.00 0.00 C ATOM 267 CG LYS A 17 19.020 2.729 12.523 1.00 0.00 C ATOM 268 CD LYS A 17 17.530 2.403 12.783 1.00 0.00 C ATOM 269 CE LYS A 17 17.001 1.273 11.882 1.00 0.00 C ATOM 270 NZ LYS A 17 15.565 0.973 12.128 1.00 0.00 N ATOM 0 H LYS A 17 21.510 2.921 14.400 1.00 0.00 H new ATOM 0 HA LYS A 17 21.976 0.881 12.286 1.00 0.00 H new ATOM 0 HB2 LYS A 17 19.701 0.763 11.936 1.00 0.00 H new ATOM 0 HB3 LYS A 17 19.740 1.041 13.666 1.00 0.00 H new ATOM 0 HG2 LYS A 17 19.337 3.519 13.204 1.00 0.00 H new ATOM 0 HG3 LYS A 17 19.130 3.118 11.511 1.00 0.00 H new ATOM 0 HD2 LYS A 17 17.402 2.119 13.827 1.00 0.00 H new ATOM 0 HD3 LYS A 17 16.933 3.300 12.621 1.00 0.00 H new ATOM 0 HE2 LYS A 17 17.137 1.552 10.837 1.00 0.00 H new ATOM 0 HE3 LYS A 17 17.591 0.372 12.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 15.310 0.084 11.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 15.400 0.879 13.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 14.980 1.746 11.753 1.00 0.00 H new ATOM 284 N VAL A 18 21.766 2.594 10.326 1.00 0.00 N ATOM 285 CA VAL A 18 21.954 3.559 9.239 1.00 0.00 C ATOM 286 C VAL A 18 20.584 3.982 8.676 1.00 0.00 C ATOM 287 O VAL A 18 19.771 3.135 8.296 1.00 0.00 O ATOM 288 CB VAL A 18 22.839 2.952 8.095 1.00 0.00 C ATOM 289 CG1 VAL A 18 23.045 3.959 6.944 1.00 0.00 C ATOM 290 CG2 VAL A 18 24.199 2.448 8.644 1.00 0.00 C ATOM 0 H VAL A 18 21.643 1.635 10.001 1.00 0.00 H new ATOM 0 HA VAL A 18 22.468 4.433 9.639 1.00 0.00 H new ATOM 0 HB VAL A 18 22.303 2.094 7.690 1.00 0.00 H new ATOM 0 HG11 VAL A 18 23.663 3.505 6.169 1.00 0.00 H new ATOM 0 HG12 VAL A 18 22.078 4.233 6.523 1.00 0.00 H new ATOM 0 HG13 VAL A 18 23.540 4.852 7.326 1.00 0.00 H new ATOM 0 HG21 VAL A 18 24.790 2.033 7.827 1.00 0.00 H new ATOM 0 HG22 VAL A 18 24.739 3.279 9.097 1.00 0.00 H new ATOM 0 HG23 VAL A 18 24.025 1.677 9.394 1.00 0.00 H new ATOM 300 N GLU A 19 20.326 5.300 8.648 1.00 0.00 N ATOM 301 CA GLU A 19 19.118 5.877 8.032 1.00 0.00 C ATOM 302 C GLU A 19 19.513 6.855 6.919 1.00 0.00 C ATOM 303 O GLU A 19 20.428 7.659 7.088 1.00 0.00 O ATOM 304 CB GLU A 19 18.246 6.594 9.094 1.00 0.00 C ATOM 305 CG GLU A 19 17.697 5.669 10.193 1.00 0.00 C ATOM 306 CD GLU A 19 16.785 6.399 11.187 1.00 0.00 C ATOM 307 OE1 GLU A 19 17.300 7.005 12.154 1.00 0.00 O ATOM 308 OE2 GLU A 19 15.546 6.390 11.003 1.00 0.00 O ATOM 0 H GLU A 19 20.950 5.998 9.053 1.00 0.00 H new ATOM 0 HA GLU A 19 18.530 5.067 7.601 1.00 0.00 H new ATOM 0 HB2 GLU A 19 18.837 7.382 9.561 1.00 0.00 H new ATOM 0 HB3 GLU A 19 17.409 7.079 8.592 1.00 0.00 H new ATOM 0 HG2 GLU A 19 17.142 4.853 9.730 1.00 0.00 H new ATOM 0 HG3 GLU A 19 18.531 5.221 10.734 1.00 0.00 H new ATOM 315 N TYR A 20 18.818 6.768 5.784 1.00 0.00 N ATOM 316 CA TYR A 20 19.011 7.645 4.623 1.00 0.00 C ATOM 317 C TYR A 20 17.801 8.584 4.469 1.00 0.00 C ATOM 318 O TYR A 20 16.658 8.124 4.463 1.00 0.00 O ATOM 319 CB TYR A 20 19.195 6.793 3.338 1.00 0.00 C ATOM 320 CG TYR A 20 20.482 5.945 3.318 1.00 0.00 C ATOM 321 CD1 TYR A 20 21.700 6.515 2.956 1.00 0.00 C ATOM 322 CD2 TYR A 20 20.486 4.590 3.662 1.00 0.00 C ATOM 323 CE1 TYR A 20 22.865 5.784 2.933 1.00 0.00 C ATOM 324 CE2 TYR A 20 21.663 3.856 3.639 1.00 0.00 C ATOM 325 CZ TYR A 20 22.844 4.464 3.274 1.00 0.00 C ATOM 326 OH TYR A 20 24.019 3.750 3.265 1.00 0.00 O ATOM 0 H TYR A 20 18.088 6.070 5.641 1.00 0.00 H new ATOM 0 HA TYR A 20 19.907 8.246 4.776 1.00 0.00 H new ATOM 0 HB2 TYR A 20 18.336 6.131 3.229 1.00 0.00 H new ATOM 0 HB3 TYR A 20 19.198 7.457 2.473 1.00 0.00 H new ATOM 0 HD1 TYR A 20 21.731 7.560 2.686 1.00 0.00 H new ATOM 0 HD2 TYR A 20 19.562 4.109 3.949 1.00 0.00 H new ATOM 0 HE1 TYR A 20 23.794 6.254 2.646 1.00 0.00 H new ATOM 0 HE2 TYR A 20 21.653 2.810 3.907 1.00 0.00 H new ATOM 0 HH TYR A 20 23.841 2.824 3.532 1.00 0.00 H new ATOM 336 N PHE A 21 18.057 9.892 4.336 1.00 0.00 N ATOM 337 CA PHE A 21 17.025 10.904 4.074 1.00 0.00 C ATOM 338 C PHE A 21 16.641 10.796 2.604 1.00 0.00 C ATOM 339 O PHE A 21 17.445 11.121 1.737 1.00 0.00 O ATOM 340 CB PHE A 21 17.583 12.317 4.409 1.00 0.00 C ATOM 341 CG PHE A 21 16.566 13.446 4.554 1.00 0.00 C ATOM 342 CD1 PHE A 21 15.252 13.194 4.951 1.00 0.00 C ATOM 343 CD2 PHE A 21 16.939 14.772 4.343 1.00 0.00 C ATOM 344 CE1 PHE A 21 14.354 14.228 5.123 1.00 0.00 C ATOM 345 CE2 PHE A 21 16.036 15.805 4.509 1.00 0.00 C ATOM 346 CZ PHE A 21 14.743 15.532 4.899 1.00 0.00 C ATOM 0 H PHE A 21 18.997 10.282 4.408 1.00 0.00 H new ATOM 0 HA PHE A 21 16.144 10.742 4.696 1.00 0.00 H new ATOM 0 HB2 PHE A 21 18.147 12.247 5.339 1.00 0.00 H new ATOM 0 HB3 PHE A 21 18.290 12.596 3.628 1.00 0.00 H new ATOM 0 HD1 PHE A 21 14.934 12.177 5.126 1.00 0.00 H new ATOM 0 HD2 PHE A 21 17.952 14.997 4.044 1.00 0.00 H new ATOM 0 HE1 PHE A 21 13.342 14.015 5.434 1.00 0.00 H new ATOM 0 HE2 PHE A 21 16.344 16.825 4.333 1.00 0.00 H new ATOM 0 HZ PHE A 21 14.036 16.338 5.029 1.00 0.00 H new ATOM 356 N LEU A 22 15.450 10.278 2.323 1.00 0.00 N ATOM 357 CA LEU A 22 15.022 9.966 0.961 1.00 0.00 C ATOM 358 C LEU A 22 14.064 11.019 0.427 1.00 0.00 C ATOM 359 O LEU A 22 13.059 11.329 1.068 1.00 0.00 O ATOM 360 CB LEU A 22 14.352 8.582 0.905 1.00 0.00 C ATOM 361 CG LEU A 22 15.268 7.353 1.203 1.00 0.00 C ATOM 362 CD1 LEU A 22 14.567 6.061 0.770 1.00 0.00 C ATOM 363 CD2 LEU A 22 16.665 7.479 0.541 1.00 0.00 C ATOM 0 H LEU A 22 14.751 10.062 3.034 1.00 0.00 H new ATOM 0 HA LEU A 22 15.913 9.958 0.333 1.00 0.00 H new ATOM 0 HB2 LEU A 22 13.527 8.573 1.617 1.00 0.00 H new ATOM 0 HB3 LEU A 22 13.919 8.452 -0.087 1.00 0.00 H new ATOM 0 HG LEU A 22 15.439 7.323 2.279 1.00 0.00 H new ATOM 0 HD11 LEU A 22 15.212 5.208 0.981 1.00 0.00 H new ATOM 0 HD12 LEU A 22 13.632 5.953 1.319 1.00 0.00 H new ATOM 0 HD13 LEU A 22 14.357 6.101 -0.299 1.00 0.00 H new ATOM 0 HD21 LEU A 22 17.262 6.599 0.780 1.00 0.00 H new ATOM 0 HD22 LEU A 22 16.550 7.557 -0.540 1.00 0.00 H new ATOM 0 HD23 LEU A 22 17.167 8.370 0.917 1.00 0.00 H new ATOM 375 N LYS A 23 14.390 11.552 -0.757 1.00 0.00 N ATOM 376 CA LYS A 23 13.513 12.442 -1.515 1.00 0.00 C ATOM 377 C LYS A 23 12.763 11.575 -2.542 1.00 0.00 C ATOM 378 O LYS A 23 13.393 10.929 -3.387 1.00 0.00 O ATOM 379 CB LYS A 23 14.352 13.564 -2.207 1.00 0.00 C ATOM 380 CG LYS A 23 13.591 14.873 -2.521 1.00 0.00 C ATOM 381 CD LYS A 23 12.456 14.697 -3.544 1.00 0.00 C ATOM 382 CE LYS A 23 11.719 16.003 -3.838 1.00 0.00 C ATOM 383 NZ LYS A 23 10.627 15.798 -4.816 1.00 0.00 N ATOM 0 H LYS A 23 15.282 11.373 -1.218 1.00 0.00 H new ATOM 0 HA LYS A 23 12.797 12.943 -0.863 1.00 0.00 H new ATOM 0 HB2 LYS A 23 15.202 13.804 -1.567 1.00 0.00 H new ATOM 0 HB3 LYS A 23 14.756 13.168 -3.139 1.00 0.00 H new ATOM 0 HG2 LYS A 23 13.176 15.273 -1.596 1.00 0.00 H new ATOM 0 HG3 LYS A 23 14.297 15.612 -2.899 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.867 14.300 -4.472 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.746 13.960 -3.169 1.00 0.00 H new ATOM 0 HE2 LYS A 23 11.309 16.408 -2.913 1.00 0.00 H new ATOM 0 HE3 LYS A 23 12.422 16.740 -4.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 10.789 16.400 -5.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 10.606 14.800 -5.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 9.718 16.049 -4.379 1.00 0.00 H new ATOM 397 N TRP A 24 11.428 11.584 -2.471 1.00 0.00 N ATOM 398 CA TRP A 24 10.576 10.702 -3.276 1.00 0.00 C ATOM 399 C TRP A 24 10.362 11.271 -4.691 1.00 0.00 C ATOM 400 O TRP A 24 10.147 12.481 -4.860 1.00 0.00 O ATOM 401 CB TRP A 24 9.236 10.469 -2.533 1.00 0.00 C ATOM 402 CG TRP A 24 9.444 9.965 -1.118 1.00 0.00 C ATOM 403 CD1 TRP A 24 9.462 10.708 0.029 1.00 0.00 C ATOM 404 CD2 TRP A 24 9.722 8.617 -0.721 1.00 0.00 C ATOM 405 NE1 TRP A 24 9.709 9.904 1.107 1.00 0.00 N ATOM 406 CE2 TRP A 24 9.881 8.619 0.672 1.00 0.00 C ATOM 407 CE3 TRP A 24 9.846 7.408 -1.408 1.00 0.00 C ATOM 408 CZ2 TRP A 24 10.153 7.466 1.392 1.00 0.00 C ATOM 409 CZ3 TRP A 24 10.119 6.261 -0.690 1.00 0.00 C ATOM 410 CH2 TRP A 24 10.274 6.296 0.698 1.00 0.00 C ATOM 0 H TRP A 24 10.906 12.205 -1.852 1.00 0.00 H new ATOM 0 HA TRP A 24 11.072 9.740 -3.404 1.00 0.00 H new ATOM 0 HB2 TRP A 24 8.671 11.401 -2.505 1.00 0.00 H new ATOM 0 HB3 TRP A 24 8.635 9.749 -3.088 1.00 0.00 H new ATOM 0 HD1 TRP A 24 9.304 11.775 0.077 1.00 0.00 H new ATOM 0 HE1 TRP A 24 9.757 10.213 2.078 1.00 0.00 H new ATOM 0 HE3 TRP A 24 9.731 7.371 -2.481 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 10.265 7.492 2.466 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 10.214 5.320 -1.211 1.00 0.00 H new ATOM 0 HH2 TRP A 24 10.493 5.383 1.231 1.00 0.00 H new ATOM 421 N LYS A 25 10.430 10.378 -5.700 1.00 0.00 N ATOM 422 CA LYS A 25 10.382 10.749 -7.120 1.00 0.00 C ATOM 423 C LYS A 25 8.941 11.084 -7.543 1.00 0.00 C ATOM 424 O LYS A 25 8.016 10.328 -7.234 1.00 0.00 O ATOM 425 CB LYS A 25 10.945 9.587 -7.987 1.00 0.00 C ATOM 426 CG LYS A 25 11.229 9.968 -9.459 1.00 0.00 C ATOM 427 CD LYS A 25 11.883 8.826 -10.279 1.00 0.00 C ATOM 428 CE LYS A 25 10.972 7.592 -10.430 1.00 0.00 C ATOM 429 NZ LYS A 25 11.618 6.515 -11.222 1.00 0.00 N ATOM 0 H LYS A 25 10.520 9.374 -5.546 1.00 0.00 H new ATOM 0 HA LYS A 25 10.997 11.636 -7.273 1.00 0.00 H new ATOM 0 HB2 LYS A 25 11.868 9.226 -7.533 1.00 0.00 H new ATOM 0 HB3 LYS A 25 10.236 8.760 -7.969 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.294 10.258 -9.938 1.00 0.00 H new ATOM 0 HG3 LYS A 25 11.882 10.840 -9.481 1.00 0.00 H new ATOM 0 HD2 LYS A 25 12.144 9.201 -11.269 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.813 8.527 -9.796 1.00 0.00 H new ATOM 0 HE2 LYS A 25 10.713 7.210 -9.443 1.00 0.00 H new ATOM 0 HE3 LYS A 25 10.040 7.887 -10.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.971 5.705 -11.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 11.842 6.870 -12.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 12.494 6.215 -10.749 1.00 0.00 H new ATOM 443 N GLY A 26 8.773 12.225 -8.245 1.00 0.00 N ATOM 444 CA GLY A 26 7.466 12.668 -8.745 1.00 0.00 C ATOM 445 C GLY A 26 6.634 13.428 -7.711 1.00 0.00 C ATOM 446 O GLY A 26 5.517 13.878 -8.009 1.00 0.00 O ATOM 0 H GLY A 26 9.539 12.858 -8.477 1.00 0.00 H new ATOM 0 HA2 GLY A 26 7.618 13.306 -9.615 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.903 11.798 -9.082 1.00 0.00 H new ATOM 450 N PHE A 27 7.185 13.589 -6.500 1.00 0.00 N ATOM 451 CA PHE A 27 6.528 14.282 -5.370 1.00 0.00 C ATOM 452 C PHE A 27 7.139 15.685 -5.151 1.00 0.00 C ATOM 453 O PHE A 27 8.108 16.059 -5.821 1.00 0.00 O ATOM 454 CB PHE A 27 6.633 13.419 -4.089 1.00 0.00 C ATOM 455 CG PHE A 27 5.755 12.167 -4.096 1.00 0.00 C ATOM 456 CD1 PHE A 27 4.404 12.246 -3.754 1.00 0.00 C ATOM 457 CD2 PHE A 27 6.269 10.921 -4.451 1.00 0.00 C ATOM 458 CE1 PHE A 27 3.600 11.119 -3.757 1.00 0.00 C ATOM 459 CE2 PHE A 27 5.466 9.796 -4.452 1.00 0.00 C ATOM 460 CZ PHE A 27 4.129 9.896 -4.112 1.00 0.00 C ATOM 0 H PHE A 27 8.114 13.238 -6.269 1.00 0.00 H new ATOM 0 HA PHE A 27 5.473 14.419 -5.609 1.00 0.00 H new ATOM 0 HB2 PHE A 27 7.672 13.118 -3.952 1.00 0.00 H new ATOM 0 HB3 PHE A 27 6.363 14.032 -3.229 1.00 0.00 H new ATOM 0 HD1 PHE A 27 3.979 13.201 -3.483 1.00 0.00 H new ATOM 0 HD2 PHE A 27 7.309 10.833 -4.729 1.00 0.00 H new ATOM 0 HE1 PHE A 27 2.559 11.198 -3.481 1.00 0.00 H new ATOM 0 HE2 PHE A 27 5.884 8.836 -4.719 1.00 0.00 H new ATOM 0 HZ PHE A 27 3.500 9.018 -4.125 1.00 0.00 H new ATOM 470 N THR A 28 6.524 16.466 -4.234 1.00 0.00 N ATOM 471 CA THR A 28 6.957 17.840 -3.901 1.00 0.00 C ATOM 472 C THR A 28 8.357 17.863 -3.237 1.00 0.00 C ATOM 473 O THR A 28 8.840 16.831 -2.760 1.00 0.00 O ATOM 474 CB THR A 28 5.901 18.532 -2.974 1.00 0.00 C ATOM 475 OG1 THR A 28 5.746 17.776 -1.764 1.00 0.00 O ATOM 476 CG2 THR A 28 4.528 18.676 -3.672 1.00 0.00 C ATOM 0 H THR A 28 5.710 16.158 -3.702 1.00 0.00 H new ATOM 0 HA THR A 28 7.032 18.396 -4.836 1.00 0.00 H new ATOM 0 HB THR A 28 6.268 19.533 -2.746 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.086 18.214 -1.187 1.00 0.00 H new ATOM 0 HG21 THR A 28 3.825 19.161 -2.995 1.00 0.00 H new ATOM 0 HG22 THR A 28 4.639 19.280 -4.573 1.00 0.00 H new ATOM 0 HG23 THR A 28 4.151 17.689 -3.941 1.00 0.00 H new ATOM 484 N ASP A 29 9.005 19.051 -3.234 1.00 0.00 N ATOM 485 CA ASP A 29 10.380 19.235 -2.700 1.00 0.00 C ATOM 486 C ASP A 29 10.439 18.927 -1.190 1.00 0.00 C ATOM 487 O ASP A 29 11.376 18.280 -0.707 1.00 0.00 O ATOM 488 CB ASP A 29 10.885 20.680 -2.976 1.00 0.00 C ATOM 489 CG ASP A 29 12.341 20.920 -2.518 1.00 0.00 C ATOM 490 OD1 ASP A 29 13.276 20.614 -3.293 1.00 0.00 O ATOM 491 OD2 ASP A 29 12.558 21.399 -1.375 1.00 0.00 O ATOM 0 H ASP A 29 8.593 19.909 -3.600 1.00 0.00 H new ATOM 0 HA ASP A 29 11.034 18.531 -3.215 1.00 0.00 H new ATOM 0 HB2 ASP A 29 10.809 20.885 -4.044 1.00 0.00 H new ATOM 0 HB3 ASP A 29 10.231 21.389 -2.468 1.00 0.00 H new ATOM 496 N ALA A 30 9.409 19.391 -0.467 1.00 0.00 N ATOM 497 CA ALA A 30 9.270 19.177 0.987 1.00 0.00 C ATOM 498 C ALA A 30 8.968 17.699 1.336 1.00 0.00 C ATOM 499 O ALA A 30 9.122 17.288 2.493 1.00 0.00 O ATOM 500 CB ALA A 30 8.178 20.097 1.545 1.00 0.00 C ATOM 0 H ALA A 30 8.643 19.928 -0.874 1.00 0.00 H new ATOM 0 HA ALA A 30 10.225 19.423 1.452 1.00 0.00 H new ATOM 0 HB1 ALA A 30 8.079 19.935 2.618 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.447 21.136 1.358 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.230 19.874 1.056 1.00 0.00 H new ATOM 506 N ASP A 31 8.540 16.921 0.329 1.00 0.00 N ATOM 507 CA ASP A 31 8.171 15.509 0.479 1.00 0.00 C ATOM 508 C ASP A 31 9.452 14.646 0.467 1.00 0.00 C ATOM 509 O ASP A 31 9.858 14.084 -0.561 1.00 0.00 O ATOM 510 CB ASP A 31 7.187 15.099 -0.645 1.00 0.00 C ATOM 511 CG ASP A 31 6.553 13.719 -0.430 1.00 0.00 C ATOM 512 OD1 ASP A 31 7.131 12.711 -0.858 1.00 0.00 O ATOM 513 OD2 ASP A 31 5.453 13.648 0.162 1.00 0.00 O ATOM 0 H ASP A 31 8.440 17.263 -0.627 1.00 0.00 H new ATOM 0 HA ASP A 31 7.664 15.351 1.431 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.397 15.846 -0.715 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.715 15.103 -1.599 1.00 0.00 H new ATOM 518 N ASN A 32 10.127 14.661 1.618 1.00 0.00 N ATOM 519 CA ASN A 32 11.318 13.851 1.901 1.00 0.00 C ATOM 520 C ASN A 32 11.294 13.380 3.379 1.00 0.00 C ATOM 521 O ASN A 32 11.043 14.183 4.292 1.00 0.00 O ATOM 522 CB ASN A 32 12.622 14.638 1.547 1.00 0.00 C ATOM 523 CG ASN A 32 12.677 16.101 2.028 1.00 0.00 C ATOM 524 OD1 ASN A 32 13.454 16.918 1.329 1.00 0.00 O flip ATOM 525 ND2 ASN A 32 12.056 16.491 3.020 1.00 0.00 N flip ATOM 0 H ASN A 32 9.854 15.253 2.402 1.00 0.00 H new ATOM 0 HA ASN A 32 11.310 12.962 1.270 1.00 0.00 H new ATOM 0 HB2 ASN A 32 13.472 14.104 1.972 1.00 0.00 H new ATOM 0 HB3 ASN A 32 12.747 14.627 0.464 1.00 0.00 H new ATOM 0 HD21 ASN A 32 11.465 15.842 3.540 1.00 0.00 H new ATOM 0 HD22 ASN A 32 12.133 17.463 3.321 1.00 0.00 H new ATOM 532 N THR A 33 11.531 12.064 3.603 1.00 0.00 N ATOM 533 CA THR A 33 11.417 11.415 4.935 1.00 0.00 C ATOM 534 C THR A 33 12.668 10.555 5.226 1.00 0.00 C ATOM 535 O THR A 33 13.264 9.995 4.300 1.00 0.00 O ATOM 536 CB THR A 33 10.133 10.502 4.992 1.00 0.00 C ATOM 537 OG1 THR A 33 10.171 9.539 3.929 1.00 0.00 O ATOM 538 CG2 THR A 33 8.823 11.312 4.874 1.00 0.00 C ATOM 0 H THR A 33 11.808 11.419 2.863 1.00 0.00 H new ATOM 0 HA THR A 33 11.337 12.199 5.688 1.00 0.00 H new ATOM 0 HB THR A 33 10.141 10.009 5.964 1.00 0.00 H new ATOM 0 HG1 THR A 33 10.184 8.635 4.307 1.00 0.00 H new ATOM 0 HG21 THR A 33 7.971 10.634 4.919 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.762 12.027 5.695 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.811 11.848 3.925 1.00 0.00 H new ATOM 546 N TRP A 34 13.068 10.460 6.516 1.00 0.00 N ATOM 547 CA TRP A 34 14.201 9.608 6.946 1.00 0.00 C ATOM 548 C TRP A 34 13.769 8.130 6.974 1.00 0.00 C ATOM 549 O TRP A 34 12.960 7.717 7.823 1.00 0.00 O ATOM 550 CB TRP A 34 14.748 10.027 8.340 1.00 0.00 C ATOM 551 CG TRP A 34 15.500 11.341 8.348 1.00 0.00 C ATOM 552 CD1 TRP A 34 15.009 12.582 8.637 1.00 0.00 C ATOM 553 CD2 TRP A 34 16.896 11.524 8.056 1.00 0.00 C ATOM 554 NE1 TRP A 34 16.004 13.521 8.530 1.00 0.00 N ATOM 555 CE2 TRP A 34 17.170 12.899 8.170 1.00 0.00 C ATOM 556 CE3 TRP A 34 17.936 10.656 7.690 1.00 0.00 C ATOM 557 CZ2 TRP A 34 18.439 13.426 7.948 1.00 0.00 C ATOM 558 CZ3 TRP A 34 19.194 11.180 7.468 1.00 0.00 C ATOM 559 CH2 TRP A 34 19.435 12.555 7.591 1.00 0.00 C ATOM 0 H TRP A 34 12.620 10.966 7.280 1.00 0.00 H new ATOM 0 HA TRP A 34 15.005 9.741 6.222 1.00 0.00 H new ATOM 0 HB2 TRP A 34 13.914 10.096 9.038 1.00 0.00 H new ATOM 0 HB3 TRP A 34 15.409 9.242 8.708 1.00 0.00 H new ATOM 0 HD1 TRP A 34 13.986 12.794 8.910 1.00 0.00 H new ATOM 0 HE1 TRP A 34 15.893 14.522 8.693 1.00 0.00 H new ATOM 0 HE3 TRP A 34 17.756 9.596 7.584 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 18.632 14.483 8.053 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 20.004 10.520 7.195 1.00 0.00 H new ATOM 0 HH2 TRP A 34 20.427 12.937 7.400 1.00 0.00 H new ATOM 570 N GLU A 35 14.301 7.355 6.023 1.00 0.00 N ATOM 571 CA GLU A 35 14.019 5.924 5.866 1.00 0.00 C ATOM 572 C GLU A 35 15.288 5.091 6.141 1.00 0.00 C ATOM 573 O GLU A 35 16.332 5.370 5.551 1.00 0.00 O ATOM 574 CB GLU A 35 13.528 5.632 4.429 1.00 0.00 C ATOM 575 CG GLU A 35 12.194 6.279 4.030 1.00 0.00 C ATOM 576 CD GLU A 35 11.041 5.952 4.997 1.00 0.00 C ATOM 577 OE1 GLU A 35 10.967 4.806 5.492 1.00 0.00 O ATOM 578 OE2 GLU A 35 10.202 6.839 5.267 1.00 0.00 O ATOM 0 H GLU A 35 14.954 7.713 5.326 1.00 0.00 H new ATOM 0 HA GLU A 35 13.244 5.650 6.582 1.00 0.00 H new ATOM 0 HB2 GLU A 35 14.295 5.965 3.729 1.00 0.00 H new ATOM 0 HB3 GLU A 35 13.436 4.552 4.310 1.00 0.00 H new ATOM 0 HG2 GLU A 35 12.323 7.360 3.983 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.923 5.947 3.028 1.00 0.00 H new ATOM 585 N PRO A 36 15.220 4.036 7.012 1.00 0.00 N ATOM 586 CA PRO A 36 16.369 3.134 7.259 1.00 0.00 C ATOM 587 C PRO A 36 16.640 2.199 6.057 1.00 0.00 C ATOM 588 O PRO A 36 15.712 1.824 5.336 1.00 0.00 O ATOM 589 CB PRO A 36 15.927 2.350 8.512 1.00 0.00 C ATOM 590 CG PRO A 36 14.432 2.312 8.425 1.00 0.00 C ATOM 591 CD PRO A 36 14.027 3.638 7.812 1.00 0.00 C ATOM 0 HA PRO A 36 17.309 3.668 7.399 1.00 0.00 H new ATOM 0 HB2 PRO A 36 16.349 1.345 8.521 1.00 0.00 H new ATOM 0 HB3 PRO A 36 16.259 2.843 9.426 1.00 0.00 H new ATOM 0 HG2 PRO A 36 14.096 1.477 7.810 1.00 0.00 H new ATOM 0 HG3 PRO A 36 13.985 2.183 9.411 1.00 0.00 H new ATOM 0 HD2 PRO A 36 13.141 3.536 7.186 1.00 0.00 H new ATOM 0 HD3 PRO A 36 13.793 4.378 8.577 1.00 0.00 H new ATOM 599 N GLU A 37 17.916 1.808 5.888 1.00 0.00 N ATOM 600 CA GLU A 37 18.394 0.969 4.754 1.00 0.00 C ATOM 601 C GLU A 37 17.687 -0.403 4.675 1.00 0.00 C ATOM 602 O GLU A 37 17.575 -0.990 3.587 1.00 0.00 O ATOM 603 CB GLU A 37 19.954 0.801 4.799 1.00 0.00 C ATOM 604 CG GLU A 37 20.602 0.738 6.203 1.00 0.00 C ATOM 605 CD GLU A 37 20.045 -0.341 7.145 1.00 0.00 C ATOM 606 OE1 GLU A 37 20.475 -1.511 7.043 1.00 0.00 O ATOM 607 OE2 GLU A 37 19.170 -0.024 7.987 1.00 0.00 O ATOM 0 H GLU A 37 18.659 2.064 6.538 1.00 0.00 H new ATOM 0 HA GLU A 37 18.128 1.502 3.841 1.00 0.00 H new ATOM 0 HB2 GLU A 37 20.214 -0.111 4.262 1.00 0.00 H new ATOM 0 HB3 GLU A 37 20.402 1.631 4.253 1.00 0.00 H new ATOM 0 HG2 GLU A 37 21.672 0.572 6.082 1.00 0.00 H new ATOM 0 HG3 GLU A 37 20.483 1.710 6.682 1.00 0.00 H new ATOM 614 N GLU A 38 17.215 -0.884 5.833 1.00 0.00 N ATOM 615 CA GLU A 38 16.507 -2.171 5.955 1.00 0.00 C ATOM 616 C GLU A 38 15.150 -2.138 5.206 1.00 0.00 C ATOM 617 O GLU A 38 14.687 -3.162 4.681 1.00 0.00 O ATOM 618 CB GLU A 38 16.272 -2.502 7.452 1.00 0.00 C ATOM 619 CG GLU A 38 15.389 -1.470 8.186 1.00 0.00 C ATOM 620 CD GLU A 38 15.087 -1.851 9.637 1.00 0.00 C ATOM 621 OE1 GLU A 38 15.893 -1.527 10.530 1.00 0.00 O ATOM 622 OE2 GLU A 38 14.046 -2.492 9.900 1.00 0.00 O ATOM 0 H GLU A 38 17.313 -0.389 6.720 1.00 0.00 H new ATOM 0 HA GLU A 38 17.127 -2.944 5.502 1.00 0.00 H new ATOM 0 HB2 GLU A 38 15.807 -3.485 7.529 1.00 0.00 H new ATOM 0 HB3 GLU A 38 17.236 -2.566 7.956 1.00 0.00 H new ATOM 0 HG2 GLU A 38 15.886 -0.500 8.169 1.00 0.00 H new ATOM 0 HG3 GLU A 38 14.450 -1.356 7.645 1.00 0.00 H new ATOM 629 N ASN A 39 14.538 -0.941 5.168 1.00 0.00 N ATOM 630 CA ASN A 39 13.179 -0.725 4.636 1.00 0.00 C ATOM 631 C ASN A 39 13.235 -0.368 3.129 1.00 0.00 C ATOM 632 O ASN A 39 12.208 -0.391 2.430 1.00 0.00 O ATOM 633 CB ASN A 39 12.483 0.416 5.449 1.00 0.00 C ATOM 634 CG ASN A 39 10.952 0.352 5.425 1.00 0.00 C ATOM 635 OD1 ASN A 39 10.362 -0.398 4.663 1.00 0.00 O ATOM 636 ND2 ASN A 39 10.303 1.145 6.255 1.00 0.00 N ATOM 0 H ASN A 39 14.977 -0.086 5.510 1.00 0.00 H new ATOM 0 HA ASN A 39 12.601 -1.643 4.740 1.00 0.00 H new ATOM 0 HB2 ASN A 39 12.822 0.370 6.484 1.00 0.00 H new ATOM 0 HB3 ASN A 39 12.803 1.379 5.051 1.00 0.00 H new ATOM 0 HD21 ASN A 39 9.283 1.142 6.271 1.00 0.00 H new ATOM 0 HD22 ASN A 39 10.821 1.762 6.881 1.00 0.00 H new ATOM 643 N LEU A 40 14.444 -0.024 2.641 1.00 0.00 N ATOM 644 CA LEU A 40 14.652 0.386 1.242 1.00 0.00 C ATOM 645 C LEU A 40 14.698 -0.842 0.337 1.00 0.00 C ATOM 646 O LEU A 40 15.263 -1.870 0.712 1.00 0.00 O ATOM 647 CB LEU A 40 15.963 1.212 1.075 1.00 0.00 C ATOM 648 CG LEU A 40 16.188 2.371 2.098 1.00 0.00 C ATOM 649 CD1 LEU A 40 17.281 3.360 1.631 1.00 0.00 C ATOM 650 CD2 LEU A 40 14.876 3.092 2.440 1.00 0.00 C ATOM 0 H LEU A 40 15.296 -0.023 3.202 1.00 0.00 H new ATOM 0 HA LEU A 40 13.814 1.021 0.955 1.00 0.00 H new ATOM 0 HB2 LEU A 40 16.809 0.528 1.142 1.00 0.00 H new ATOM 0 HB3 LEU A 40 15.975 1.636 0.071 1.00 0.00 H new ATOM 0 HG LEU A 40 16.553 1.912 3.017 1.00 0.00 H new ATOM 0 HD11 LEU A 40 17.401 4.148 2.375 1.00 0.00 H new ATOM 0 HD12 LEU A 40 18.225 2.828 1.510 1.00 0.00 H new ATOM 0 HD13 LEU A 40 16.989 3.802 0.679 1.00 0.00 H new ATOM 0 HD21 LEU A 40 15.075 3.891 3.154 1.00 0.00 H new ATOM 0 HD22 LEU A 40 14.446 3.516 1.532 1.00 0.00 H new ATOM 0 HD23 LEU A 40 14.174 2.382 2.877 1.00 0.00 H new ATOM 662 N ASP A 41 14.101 -0.728 -0.852 1.00 0.00 N ATOM 663 CA ASP A 41 14.185 -1.769 -1.887 1.00 0.00 C ATOM 664 C ASP A 41 15.292 -1.408 -2.887 1.00 0.00 C ATOM 665 O ASP A 41 15.530 -2.147 -3.842 1.00 0.00 O ATOM 666 CB ASP A 41 12.822 -1.926 -2.616 1.00 0.00 C ATOM 667 CG ASP A 41 11.665 -2.332 -1.685 1.00 0.00 C ATOM 668 OD1 ASP A 41 11.321 -1.560 -0.754 1.00 0.00 O ATOM 669 OD2 ASP A 41 11.051 -3.403 -1.903 1.00 0.00 O ATOM 0 H ASP A 41 13.547 0.084 -1.126 1.00 0.00 H new ATOM 0 HA ASP A 41 14.426 -2.722 -1.415 1.00 0.00 H new ATOM 0 HB2 ASP A 41 12.571 -0.984 -3.104 1.00 0.00 H new ATOM 0 HB3 ASP A 41 12.924 -2.675 -3.402 1.00 0.00 H new ATOM 674 N CYS A 42 15.970 -0.257 -2.657 1.00 0.00 N ATOM 675 CA CYS A 42 16.965 0.297 -3.578 1.00 0.00 C ATOM 676 C CYS A 42 18.390 0.214 -2.987 1.00 0.00 C ATOM 677 O CYS A 42 18.777 1.074 -2.186 1.00 0.00 O ATOM 678 CB CYS A 42 16.600 1.755 -3.926 1.00 0.00 C ATOM 679 SG CYS A 42 17.602 2.444 -5.260 1.00 0.00 S ATOM 0 H CYS A 42 15.833 0.309 -1.819 1.00 0.00 H new ATOM 0 HA CYS A 42 16.958 -0.299 -4.491 1.00 0.00 H new ATOM 0 HB2 CYS A 42 15.549 1.801 -4.210 1.00 0.00 H new ATOM 0 HB3 CYS A 42 16.717 2.374 -3.036 1.00 0.00 H new ATOM 0 HG CYS A 42 16.928 3.370 -5.875 1.00 0.00 H new ATOM 685 N PRO A 43 19.192 -0.841 -3.354 1.00 0.00 N ATOM 686 CA PRO A 43 20.636 -0.902 -3.022 1.00 0.00 C ATOM 687 C PRO A 43 21.474 -0.028 -3.975 1.00 0.00 C ATOM 688 O PRO A 43 22.617 0.311 -3.669 1.00 0.00 O ATOM 689 CB PRO A 43 20.968 -2.404 -3.192 1.00 0.00 C ATOM 690 CG PRO A 43 20.035 -2.866 -4.271 1.00 0.00 C ATOM 691 CD PRO A 43 18.754 -2.075 -4.081 1.00 0.00 C ATOM 0 HA PRO A 43 20.861 -0.523 -2.025 1.00 0.00 H new ATOM 0 HB2 PRO A 43 22.010 -2.552 -3.476 1.00 0.00 H new ATOM 0 HB3 PRO A 43 20.809 -2.955 -2.265 1.00 0.00 H new ATOM 0 HG2 PRO A 43 20.461 -2.688 -5.258 1.00 0.00 H new ATOM 0 HG3 PRO A 43 19.848 -3.937 -4.193 1.00 0.00 H new ATOM 0 HD2 PRO A 43 18.290 -1.831 -5.037 1.00 0.00 H new ATOM 0 HD3 PRO A 43 18.020 -2.638 -3.505 1.00 0.00 H new ATOM 699 N GLU A 44 20.869 0.339 -5.123 1.00 0.00 N ATOM 700 CA GLU A 44 21.525 1.109 -6.188 1.00 0.00 C ATOM 701 C GLU A 44 21.752 2.568 -5.746 1.00 0.00 C ATOM 702 O GLU A 44 22.823 3.113 -5.967 1.00 0.00 O ATOM 703 CB GLU A 44 20.664 1.053 -7.474 1.00 0.00 C ATOM 704 CG GLU A 44 21.304 1.710 -8.718 1.00 0.00 C ATOM 705 CD GLU A 44 20.430 1.579 -9.979 1.00 0.00 C ATOM 706 OE1 GLU A 44 20.321 0.458 -10.522 1.00 0.00 O ATOM 707 OE2 GLU A 44 19.851 2.588 -10.434 1.00 0.00 O ATOM 0 H GLU A 44 19.899 0.104 -5.335 1.00 0.00 H new ATOM 0 HA GLU A 44 22.500 0.669 -6.395 1.00 0.00 H new ATOM 0 HB2 GLU A 44 20.448 0.010 -7.703 1.00 0.00 H new ATOM 0 HB3 GLU A 44 19.709 1.540 -7.275 1.00 0.00 H new ATOM 0 HG2 GLU A 44 21.483 2.766 -8.514 1.00 0.00 H new ATOM 0 HG3 GLU A 44 22.275 1.252 -8.906 1.00 0.00 H new ATOM 714 N LEU A 45 20.731 3.181 -5.114 1.00 0.00 N ATOM 715 CA LEU A 45 20.822 4.558 -4.576 1.00 0.00 C ATOM 716 C LEU A 45 21.780 4.634 -3.385 1.00 0.00 C ATOM 717 O LEU A 45 22.540 5.601 -3.261 1.00 0.00 O ATOM 718 CB LEU A 45 19.424 5.101 -4.175 1.00 0.00 C ATOM 719 CG LEU A 45 18.581 5.677 -5.343 1.00 0.00 C ATOM 720 CD1 LEU A 45 17.175 6.092 -4.868 1.00 0.00 C ATOM 721 CD2 LEU A 45 19.333 6.856 -6.008 1.00 0.00 C ATOM 0 H LEU A 45 19.824 2.740 -4.961 1.00 0.00 H new ATOM 0 HA LEU A 45 21.220 5.186 -5.373 1.00 0.00 H new ATOM 0 HB2 LEU A 45 18.860 4.296 -3.703 1.00 0.00 H new ATOM 0 HB3 LEU A 45 19.556 5.880 -3.424 1.00 0.00 H new ATOM 0 HG LEU A 45 18.443 4.896 -6.091 1.00 0.00 H new ATOM 0 HD11 LEU A 45 16.610 6.492 -5.710 1.00 0.00 H new ATOM 0 HD12 LEU A 45 16.657 5.223 -4.463 1.00 0.00 H new ATOM 0 HD13 LEU A 45 17.263 6.855 -4.095 1.00 0.00 H new ATOM 0 HD21 LEU A 45 18.734 7.254 -6.827 1.00 0.00 H new ATOM 0 HD22 LEU A 45 19.506 7.640 -5.270 1.00 0.00 H new ATOM 0 HD23 LEU A 45 20.289 6.505 -6.396 1.00 0.00 H new ATOM 733 N ILE A 46 21.726 3.610 -2.518 1.00 0.00 N ATOM 734 CA ILE A 46 22.643 3.487 -1.371 1.00 0.00 C ATOM 735 C ILE A 46 24.103 3.450 -1.871 1.00 0.00 C ATOM 736 O ILE A 46 24.916 4.276 -1.464 1.00 0.00 O ATOM 737 CB ILE A 46 22.296 2.211 -0.509 1.00 0.00 C ATOM 738 CG1 ILE A 46 20.888 2.387 0.162 1.00 0.00 C ATOM 739 CG2 ILE A 46 23.391 1.893 0.540 1.00 0.00 C ATOM 740 CD1 ILE A 46 20.417 1.212 1.008 1.00 0.00 C ATOM 0 H ILE A 46 21.051 2.849 -2.590 1.00 0.00 H new ATOM 0 HA ILE A 46 22.523 4.357 -0.725 1.00 0.00 H new ATOM 0 HB ILE A 46 22.261 1.352 -1.179 1.00 0.00 H new ATOM 0 HG12 ILE A 46 20.912 3.278 0.789 1.00 0.00 H new ATOM 0 HG13 ILE A 46 20.151 2.568 -0.621 1.00 0.00 H new ATOM 0 HG21 ILE A 46 23.105 1.007 1.107 1.00 0.00 H new ATOM 0 HG22 ILE A 46 24.338 1.710 0.033 1.00 0.00 H new ATOM 0 HG23 ILE A 46 23.501 2.739 1.219 1.00 0.00 H new ATOM 0 HD11 ILE A 46 19.435 1.435 1.426 1.00 0.00 H new ATOM 0 HD12 ILE A 46 20.353 0.319 0.387 1.00 0.00 H new ATOM 0 HD13 ILE A 46 21.125 1.040 1.818 1.00 0.00 H new ATOM 752 N GLU A 47 24.373 2.545 -2.825 1.00 0.00 N ATOM 753 CA GLU A 47 25.713 2.364 -3.425 1.00 0.00 C ATOM 754 C GLU A 47 26.200 3.655 -4.104 1.00 0.00 C ATOM 755 O GLU A 47 27.283 4.140 -3.801 1.00 0.00 O ATOM 756 CB GLU A 47 25.687 1.216 -4.463 1.00 0.00 C ATOM 757 CG GLU A 47 27.018 0.976 -5.201 1.00 0.00 C ATOM 758 CD GLU A 47 26.908 -0.120 -6.272 1.00 0.00 C ATOM 759 OE1 GLU A 47 26.415 0.172 -7.384 1.00 0.00 O ATOM 760 OE2 GLU A 47 27.289 -1.281 -6.005 1.00 0.00 O ATOM 0 H GLU A 47 23.668 1.914 -3.206 1.00 0.00 H new ATOM 0 HA GLU A 47 26.404 2.113 -2.620 1.00 0.00 H new ATOM 0 HB2 GLU A 47 25.398 0.295 -3.957 1.00 0.00 H new ATOM 0 HB3 GLU A 47 24.913 1.430 -5.200 1.00 0.00 H new ATOM 0 HG2 GLU A 47 27.343 1.905 -5.669 1.00 0.00 H new ATOM 0 HG3 GLU A 47 27.785 0.698 -4.478 1.00 0.00 H new ATOM 767 N ALA A 48 25.359 4.205 -4.994 1.00 0.00 N ATOM 768 CA ALA A 48 25.679 5.406 -5.798 1.00 0.00 C ATOM 769 C ALA A 48 26.030 6.611 -4.903 1.00 0.00 C ATOM 770 O ALA A 48 26.915 7.404 -5.228 1.00 0.00 O ATOM 771 CB ALA A 48 24.496 5.756 -6.713 1.00 0.00 C ATOM 0 H ALA A 48 24.429 3.829 -5.181 1.00 0.00 H new ATOM 0 HA ALA A 48 26.554 5.177 -6.407 1.00 0.00 H new ATOM 0 HB1 ALA A 48 24.740 6.641 -7.301 1.00 0.00 H new ATOM 0 HB2 ALA A 48 24.294 4.920 -7.382 1.00 0.00 H new ATOM 0 HB3 ALA A 48 23.613 5.956 -6.106 1.00 0.00 H new ATOM 777 N PHE A 49 25.326 6.695 -3.765 1.00 0.00 N ATOM 778 CA PHE A 49 25.539 7.725 -2.739 1.00 0.00 C ATOM 779 C PHE A 49 26.898 7.530 -2.027 1.00 0.00 C ATOM 780 O PHE A 49 27.646 8.497 -1.841 1.00 0.00 O ATOM 781 CB PHE A 49 24.358 7.685 -1.735 1.00 0.00 C ATOM 782 CG PHE A 49 24.525 8.568 -0.506 1.00 0.00 C ATOM 783 CD1 PHE A 49 24.437 9.957 -0.597 1.00 0.00 C ATOM 784 CD2 PHE A 49 24.786 8.006 0.744 1.00 0.00 C ATOM 785 CE1 PHE A 49 24.598 10.750 0.525 1.00 0.00 C ATOM 786 CE2 PHE A 49 24.948 8.800 1.855 1.00 0.00 C ATOM 787 CZ PHE A 49 24.855 10.169 1.748 1.00 0.00 C ATOM 0 H PHE A 49 24.581 6.039 -3.528 1.00 0.00 H new ATOM 0 HA PHE A 49 25.571 8.707 -3.211 1.00 0.00 H new ATOM 0 HB2 PHE A 49 23.448 7.983 -2.256 1.00 0.00 H new ATOM 0 HB3 PHE A 49 24.215 6.655 -1.407 1.00 0.00 H new ATOM 0 HD1 PHE A 49 24.241 10.418 -1.554 1.00 0.00 H new ATOM 0 HD2 PHE A 49 24.862 6.933 0.840 1.00 0.00 H new ATOM 0 HE1 PHE A 49 24.522 11.824 0.443 1.00 0.00 H new ATOM 0 HE2 PHE A 49 25.149 8.348 2.815 1.00 0.00 H new ATOM 0 HZ PHE A 49 24.984 10.789 2.623 1.00 0.00 H new ATOM 797 N LEU A 50 27.208 6.273 -1.650 1.00 0.00 N ATOM 798 CA LEU A 50 28.482 5.919 -0.973 1.00 0.00 C ATOM 799 C LEU A 50 29.682 6.169 -1.917 1.00 0.00 C ATOM 800 O LEU A 50 30.756 6.592 -1.488 1.00 0.00 O ATOM 801 CB LEU A 50 28.473 4.431 -0.525 1.00 0.00 C ATOM 802 CG LEU A 50 27.326 3.992 0.438 1.00 0.00 C ATOM 803 CD1 LEU A 50 27.369 2.472 0.700 1.00 0.00 C ATOM 804 CD2 LEU A 50 27.333 4.793 1.760 1.00 0.00 C ATOM 0 H LEU A 50 26.590 5.476 -1.803 1.00 0.00 H new ATOM 0 HA LEU A 50 28.582 6.552 -0.091 1.00 0.00 H new ATOM 0 HB2 LEU A 50 28.424 3.808 -1.418 1.00 0.00 H new ATOM 0 HB3 LEU A 50 29.425 4.217 -0.039 1.00 0.00 H new ATOM 0 HG LEU A 50 26.385 4.220 -0.062 1.00 0.00 H new ATOM 0 HD11 LEU A 50 26.558 2.196 1.374 1.00 0.00 H new ATOM 0 HD12 LEU A 50 27.255 1.937 -0.243 1.00 0.00 H new ATOM 0 HD13 LEU A 50 28.324 2.208 1.154 1.00 0.00 H new ATOM 0 HD21 LEU A 50 26.517 4.451 2.397 1.00 0.00 H new ATOM 0 HD22 LEU A 50 28.282 4.640 2.273 1.00 0.00 H new ATOM 0 HD23 LEU A 50 27.205 5.854 1.544 1.00 0.00 H new ATOM 816 N ASN A 51 29.455 5.903 -3.213 1.00 0.00 N ATOM 817 CA ASN A 51 30.455 6.093 -4.286 1.00 0.00 C ATOM 818 C ASN A 51 30.630 7.592 -4.594 1.00 0.00 C ATOM 819 O ASN A 51 31.704 8.028 -5.012 1.00 0.00 O ATOM 820 CB ASN A 51 30.038 5.318 -5.576 1.00 0.00 C ATOM 821 CG ASN A 51 30.137 3.781 -5.485 1.00 0.00 C ATOM 822 OD1 ASN A 51 29.835 3.199 -4.329 1.00 0.00 O flip ATOM 823 ND2 ASN A 51 30.465 3.114 -6.470 1.00 0.00 N flip ATOM 0 H ASN A 51 28.562 5.545 -3.554 1.00 0.00 H new ATOM 0 HA ASN A 51 31.408 5.693 -3.941 1.00 0.00 H new ATOM 0 HB2 ASN A 51 29.011 5.585 -5.824 1.00 0.00 H new ATOM 0 HB3 ASN A 51 30.664 5.657 -6.402 1.00 0.00 H new ATOM 0 HD21 ASN A 51 30.693 3.580 -7.348 1.00 0.00 H new ATOM 0 HD22 ASN A 51 30.508 2.097 -6.406 1.00 0.00 H new ATOM 830 N SER A 52 29.550 8.369 -4.375 1.00 0.00 N ATOM 831 CA SER A 52 29.551 9.831 -4.559 1.00 0.00 C ATOM 832 C SER A 52 30.291 10.529 -3.387 1.00 0.00 C ATOM 833 O SER A 52 30.694 11.691 -3.506 1.00 0.00 O ATOM 834 CB SER A 52 28.095 10.338 -4.684 1.00 0.00 C ATOM 835 OG SER A 52 28.027 11.722 -5.000 1.00 0.00 O ATOM 0 H SER A 52 28.652 7.998 -4.065 1.00 0.00 H new ATOM 0 HA SER A 52 30.085 10.077 -5.477 1.00 0.00 H new ATOM 0 HB2 SER A 52 27.579 9.766 -5.456 1.00 0.00 H new ATOM 0 HB3 SER A 52 27.568 10.156 -3.747 1.00 0.00 H new ATOM 0 HG SER A 52 27.089 11.996 -5.070 1.00 0.00 H new ATOM 954 N GLN B 5 13.763 2.308 -8.833 1.00 0.00 N ATOM 955 CA GLN B 5 13.589 1.422 -7.677 1.00 0.00 C ATOM 956 C GLN B 5 12.783 2.111 -6.553 1.00 0.00 C ATOM 957 O GLN B 5 12.778 3.344 -6.425 1.00 0.00 O ATOM 958 CB GLN B 5 14.976 0.937 -7.175 1.00 0.00 C ATOM 959 CG GLN B 5 14.971 -0.448 -6.492 1.00 0.00 C ATOM 960 CD GLN B 5 14.773 -1.641 -7.442 1.00 0.00 C ATOM 961 OE1 GLN B 5 15.313 -1.554 -8.655 1.00 0.00 O flip ATOM 962 NE2 GLN B 5 14.180 -2.656 -7.069 1.00 0.00 N flip ATOM 0 HA GLN B 5 13.010 0.552 -7.987 1.00 0.00 H new ATOM 0 HB2 GLN B 5 15.662 0.906 -8.021 1.00 0.00 H new ATOM 0 HB3 GLN B 5 15.369 1.671 -6.472 1.00 0.00 H new ATOM 0 HG2 GLN B 5 15.914 -0.578 -5.962 1.00 0.00 H new ATOM 0 HG3 GLN B 5 14.179 -0.464 -5.743 1.00 0.00 H new ATOM 0 HE21 GLN B 5 13.775 -2.696 -6.133 1.00 0.00 H new ATOM 0 HE22 GLN B 5 14.094 -3.456 -7.696 1.00 0.00 H new ATOM 971 N THR B 6 12.134 1.284 -5.725 1.00 0.00 N ATOM 972 CA THR B 6 11.098 1.718 -4.771 1.00 0.00 C ATOM 973 C THR B 6 11.643 1.681 -3.309 1.00 0.00 C ATOM 974 O THR B 6 12.771 1.219 -3.063 1.00 0.00 O ATOM 975 CB THR B 6 9.847 0.774 -4.946 1.00 0.00 C ATOM 976 OG1 THR B 6 9.678 0.456 -6.343 1.00 0.00 O ATOM 977 CG2 THR B 6 8.542 1.401 -4.438 1.00 0.00 C ATOM 0 H THR B 6 12.314 0.280 -5.696 1.00 0.00 H new ATOM 0 HA THR B 6 10.807 2.749 -4.972 1.00 0.00 H new ATOM 0 HB THR B 6 10.044 -0.117 -4.350 1.00 0.00 H new ATOM 0 HG1 THR B 6 8.902 -0.132 -6.453 1.00 0.00 H new ATOM 0 HG21 THR B 6 7.720 0.701 -4.587 1.00 0.00 H new ATOM 0 HG22 THR B 6 8.637 1.628 -3.376 1.00 0.00 H new ATOM 0 HG23 THR B 6 8.341 2.320 -4.989 1.00 0.00 H new ATOM 985 N ALA B 7 10.853 2.214 -2.355 1.00 0.00 N ATOM 986 CA ALA B 7 11.125 2.103 -0.909 1.00 0.00 C ATOM 987 C ALA B 7 9.818 2.306 -0.126 1.00 0.00 C ATOM 988 O ALA B 7 8.945 3.069 -0.552 1.00 0.00 O ATOM 989 CB ALA B 7 12.192 3.116 -0.462 1.00 0.00 C ATOM 0 H ALA B 7 10.003 2.737 -2.568 1.00 0.00 H new ATOM 0 HA ALA B 7 11.517 1.107 -0.702 1.00 0.00 H new ATOM 0 HB1 ALA B 7 12.370 3.009 0.608 1.00 0.00 H new ATOM 0 HB2 ALA B 7 13.119 2.931 -1.004 1.00 0.00 H new ATOM 0 HB3 ALA B 7 11.844 4.127 -0.673 1.00 0.00 H new ATOM 995 N ARG B 8 9.671 1.573 0.991 1.00 0.00 N ATOM 996 CA ARG B 8 8.501 1.697 1.887 1.00 0.00 C ATOM 997 C ARG B 8 8.761 2.783 2.944 1.00 0.00 C ATOM 998 O ARG B 8 9.897 2.951 3.393 1.00 0.00 O ATOM 999 CB ARG B 8 8.169 0.324 2.559 1.00 0.00 C ATOM 1000 CG ARG B 8 7.220 0.404 3.788 1.00 0.00 C ATOM 1001 CD ARG B 8 6.914 -0.965 4.423 1.00 0.00 C ATOM 1002 NE ARG B 8 6.009 -1.775 3.586 1.00 0.00 N ATOM 1003 CZ ARG B 8 6.091 -3.098 3.404 1.00 0.00 C ATOM 1004 NH1 ARG B 8 7.136 -3.796 3.851 1.00 0.00 N ATOM 1005 NH2 ARG B 8 5.124 -3.721 2.750 1.00 0.00 N ATOM 0 H ARG B 8 10.354 0.881 1.300 1.00 0.00 H new ATOM 0 HA ARG B 8 7.635 1.993 1.295 1.00 0.00 H new ATOM 0 HB2 ARG B 8 7.717 -0.329 1.812 1.00 0.00 H new ATOM 0 HB3 ARG B 8 9.102 -0.146 2.870 1.00 0.00 H new ATOM 0 HG2 ARG B 8 7.669 1.052 4.541 1.00 0.00 H new ATOM 0 HG3 ARG B 8 6.283 0.871 3.483 1.00 0.00 H new ATOM 0 HD2 ARG B 8 7.846 -1.508 4.579 1.00 0.00 H new ATOM 0 HD3 ARG B 8 6.464 -0.816 5.404 1.00 0.00 H new ATOM 0 HE ARG B 8 5.256 -1.284 3.104 1.00 0.00 H new ATOM 0 HH11 ARG B 8 7.893 -3.322 4.343 1.00 0.00 H new ATOM 0 HH12 ARG B 8 7.178 -4.804 3.701 1.00 0.00 H new ATOM 0 HH21 ARG B 8 4.328 -3.193 2.391 1.00 0.00 H new ATOM 0 HH22 ARG B 8 5.174 -4.729 2.604 1.00 0.00 H new