USER MOD reduce.3.24.130724 H: found=0, std=0, add=430, rem=0, adj=9 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.391 X(o=-0.39,f=-0.22) USER MOD Single : A 17 LYS NZ :NH3+ -175:sc= 0.616 (180deg=0.599) USER MOD Single : A 20 TYR OH : rot 180:sc= -0.123 USER MOD Single : A 23 LYS NZ :NH3+ -177:sc= 0.683 (180deg=0.68) USER MOD Single : A 25 LYS NZ :NH3+ 171:sc=-0.00148 (180deg=-0.095) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.413 USER MOD Single : A 32 ASN : amide:sc= -0.634 X(o=-0.63,f=-0.4) USER MOD Single : A 33 THR OG1 : rot 130:sc= 1.03 USER MOD Single : A 39 ASN : amide:sc= -0.511 K(o=-0.51,f=-4!) USER MOD Single : A 42 CYS SG : rot 56:sc= -3.56! USER MOD Single : A 51 ASN : amide:sc= 0.527 K(o=0.53,f=-0.028) USER MOD Single : A 52 SER OG : rot 59:sc= 1.14 USER MOD Single : B 5 GLN : amide:sc= -2.8 K(o=-2.8,f=-0.32) USER MOD Single : B 6 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 25 N PHE A 3 6.641 2.741 -2.091 1.00 0.00 N ATOM 26 CA PHE A 3 6.866 4.179 -2.344 1.00 0.00 C ATOM 27 C PHE A 3 8.084 4.377 -3.259 1.00 0.00 C ATOM 28 O PHE A 3 8.991 3.553 -3.269 1.00 0.00 O ATOM 29 CB PHE A 3 7.052 4.952 -1.008 1.00 0.00 C ATOM 30 CG PHE A 3 5.872 4.861 -0.053 1.00 0.00 C ATOM 31 CD1 PHE A 3 4.629 5.378 -0.406 1.00 0.00 C ATOM 32 CD2 PHE A 3 6.007 4.281 1.205 1.00 0.00 C ATOM 33 CE1 PHE A 3 3.562 5.315 0.464 1.00 0.00 C ATOM 34 CE2 PHE A 3 4.939 4.215 2.075 1.00 0.00 C ATOM 35 CZ PHE A 3 3.717 4.732 1.706 1.00 0.00 C ATOM 0 HA PHE A 3 5.987 4.581 -2.847 1.00 0.00 H new ATOM 0 HB2 PHE A 3 7.940 4.571 -0.504 1.00 0.00 H new ATOM 0 HB3 PHE A 3 7.239 6.002 -1.234 1.00 0.00 H new ATOM 0 HD1 PHE A 3 4.499 5.835 -1.376 1.00 0.00 H new ATOM 0 HD2 PHE A 3 6.963 3.877 1.504 1.00 0.00 H new ATOM 0 HE1 PHE A 3 2.604 5.722 0.174 1.00 0.00 H new ATOM 0 HE2 PHE A 3 5.061 3.758 3.046 1.00 0.00 H new ATOM 0 HZ PHE A 3 2.881 4.681 2.388 1.00 0.00 H new ATOM 45 N VAL A 4 8.085 5.472 -4.030 1.00 0.00 N ATOM 46 CA VAL A 4 9.124 5.744 -5.045 1.00 0.00 C ATOM 47 C VAL A 4 9.967 6.971 -4.645 1.00 0.00 C ATOM 48 O VAL A 4 9.431 8.051 -4.367 1.00 0.00 O ATOM 49 CB VAL A 4 8.488 5.915 -6.479 1.00 0.00 C ATOM 50 CG1 VAL A 4 7.321 6.930 -6.477 1.00 0.00 C ATOM 51 CG2 VAL A 4 9.569 6.270 -7.540 1.00 0.00 C ATOM 0 H VAL A 4 7.369 6.196 -3.972 1.00 0.00 H new ATOM 0 HA VAL A 4 9.792 4.884 -5.090 1.00 0.00 H new ATOM 0 HB VAL A 4 8.062 4.952 -6.762 1.00 0.00 H new ATOM 0 HG11 VAL A 4 6.913 7.017 -7.484 1.00 0.00 H new ATOM 0 HG12 VAL A 4 6.541 6.586 -5.797 1.00 0.00 H new ATOM 0 HG13 VAL A 4 7.686 7.903 -6.148 1.00 0.00 H new ATOM 0 HG21 VAL A 4 9.098 6.381 -8.517 1.00 0.00 H new ATOM 0 HG22 VAL A 4 10.056 7.205 -7.264 1.00 0.00 H new ATOM 0 HG23 VAL A 4 10.311 5.473 -7.584 1.00 0.00 H new ATOM 61 N VAL A 5 11.291 6.765 -4.591 1.00 0.00 N ATOM 62 CA VAL A 5 12.285 7.791 -4.230 1.00 0.00 C ATOM 63 C VAL A 5 13.201 8.102 -5.436 1.00 0.00 C ATOM 64 O VAL A 5 13.582 7.199 -6.192 1.00 0.00 O ATOM 65 CB VAL A 5 13.123 7.360 -2.954 1.00 0.00 C ATOM 66 CG1 VAL A 5 13.619 5.894 -3.048 1.00 0.00 C ATOM 67 CG2 VAL A 5 14.300 8.335 -2.678 1.00 0.00 C ATOM 0 H VAL A 5 11.712 5.860 -4.802 1.00 0.00 H new ATOM 0 HA VAL A 5 11.753 8.705 -3.967 1.00 0.00 H new ATOM 0 HB VAL A 5 12.443 7.417 -2.104 1.00 0.00 H new ATOM 0 HG11 VAL A 5 14.188 5.644 -2.152 1.00 0.00 H new ATOM 0 HG12 VAL A 5 12.763 5.225 -3.133 1.00 0.00 H new ATOM 0 HG13 VAL A 5 14.256 5.781 -3.925 1.00 0.00 H new ATOM 0 HG21 VAL A 5 14.848 8.003 -1.796 1.00 0.00 H new ATOM 0 HG22 VAL A 5 14.970 8.349 -3.538 1.00 0.00 H new ATOM 0 HG23 VAL A 5 13.909 9.338 -2.507 1.00 0.00 H new ATOM 77 N GLU A 6 13.518 9.402 -5.607 1.00 0.00 N ATOM 78 CA GLU A 6 14.443 9.882 -6.642 1.00 0.00 C ATOM 79 C GLU A 6 15.893 9.524 -6.272 1.00 0.00 C ATOM 80 O GLU A 6 16.586 8.847 -7.043 1.00 0.00 O ATOM 81 CB GLU A 6 14.308 11.421 -6.834 1.00 0.00 C ATOM 82 CG GLU A 6 15.315 12.060 -7.826 1.00 0.00 C ATOM 83 CD GLU A 6 15.086 11.682 -9.306 1.00 0.00 C ATOM 84 OE1 GLU A 6 15.355 10.530 -9.699 1.00 0.00 O ATOM 85 OE2 GLU A 6 14.639 12.548 -10.088 1.00 0.00 O ATOM 0 H GLU A 6 13.135 10.148 -5.026 1.00 0.00 H new ATOM 0 HA GLU A 6 14.185 9.392 -7.581 1.00 0.00 H new ATOM 0 HB2 GLU A 6 13.297 11.640 -7.178 1.00 0.00 H new ATOM 0 HB3 GLU A 6 14.425 11.903 -5.863 1.00 0.00 H new ATOM 0 HG2 GLU A 6 15.262 13.144 -7.729 1.00 0.00 H new ATOM 0 HG3 GLU A 6 16.324 11.763 -7.541 1.00 0.00 H new ATOM 92 N LYS A 7 16.340 9.990 -5.079 1.00 0.00 N ATOM 93 CA LYS A 7 17.741 9.825 -4.640 1.00 0.00 C ATOM 94 C LYS A 7 17.915 10.075 -3.136 1.00 0.00 C ATOM 95 O LYS A 7 17.045 10.666 -2.475 1.00 0.00 O ATOM 96 CB LYS A 7 18.680 10.757 -5.454 1.00 0.00 C ATOM 97 CG LYS A 7 18.373 12.264 -5.305 1.00 0.00 C ATOM 98 CD LYS A 7 19.227 13.137 -6.248 1.00 0.00 C ATOM 99 CE LYS A 7 20.736 13.074 -5.947 1.00 0.00 C ATOM 100 NZ LYS A 7 21.524 13.857 -6.935 1.00 0.00 N ATOM 0 H LYS A 7 15.749 10.481 -4.408 1.00 0.00 H new ATOM 0 HA LYS A 7 18.014 8.787 -4.829 1.00 0.00 H new ATOM 0 HB2 LYS A 7 19.709 10.576 -5.143 1.00 0.00 H new ATOM 0 HB3 LYS A 7 18.613 10.488 -6.508 1.00 0.00 H new ATOM 0 HG2 LYS A 7 17.317 12.438 -5.511 1.00 0.00 H new ATOM 0 HG3 LYS A 7 18.551 12.568 -4.273 1.00 0.00 H new ATOM 0 HD2 LYS A 7 19.057 12.820 -7.277 1.00 0.00 H new ATOM 0 HD3 LYS A 7 18.893 14.172 -6.174 1.00 0.00 H new ATOM 0 HE2 LYS A 7 20.924 13.458 -4.944 1.00 0.00 H new ATOM 0 HE3 LYS A 7 21.067 12.035 -5.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 22.535 13.792 -6.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 21.363 13.474 -7.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 21.225 14.853 -6.907 1.00 0.00 H new ATOM 114 N VAL A 8 19.057 9.593 -2.616 1.00 0.00 N ATOM 115 CA VAL A 8 19.534 9.898 -1.265 1.00 0.00 C ATOM 116 C VAL A 8 20.299 11.235 -1.297 1.00 0.00 C ATOM 117 O VAL A 8 20.994 11.538 -2.279 1.00 0.00 O ATOM 118 CB VAL A 8 20.469 8.762 -0.710 1.00 0.00 C ATOM 119 CG1 VAL A 8 21.010 9.111 0.701 1.00 0.00 C ATOM 120 CG2 VAL A 8 19.754 7.382 -0.719 1.00 0.00 C ATOM 0 H VAL A 8 19.680 8.973 -3.133 1.00 0.00 H new ATOM 0 HA VAL A 8 18.673 9.969 -0.601 1.00 0.00 H new ATOM 0 HB VAL A 8 21.326 8.690 -1.379 1.00 0.00 H new ATOM 0 HG11 VAL A 8 21.652 8.304 1.054 1.00 0.00 H new ATOM 0 HG12 VAL A 8 21.583 10.037 0.652 1.00 0.00 H new ATOM 0 HG13 VAL A 8 20.175 9.238 1.390 1.00 0.00 H new ATOM 0 HG21 VAL A 8 20.429 6.620 -0.329 1.00 0.00 H new ATOM 0 HG22 VAL A 8 18.862 7.430 -0.095 1.00 0.00 H new ATOM 0 HG23 VAL A 8 19.469 7.126 -1.740 1.00 0.00 H new ATOM 130 N LEU A 9 20.155 12.024 -0.220 1.00 0.00 N ATOM 131 CA LEU A 9 20.809 13.337 -0.088 1.00 0.00 C ATOM 132 C LEU A 9 21.907 13.289 0.992 1.00 0.00 C ATOM 133 O LEU A 9 23.010 13.820 0.796 1.00 0.00 O ATOM 134 CB LEU A 9 19.759 14.429 0.255 1.00 0.00 C ATOM 135 CG LEU A 9 18.601 14.628 -0.783 1.00 0.00 C ATOM 136 CD1 LEU A 9 17.647 15.771 -0.361 1.00 0.00 C ATOM 137 CD2 LEU A 9 19.150 14.842 -2.213 1.00 0.00 C ATOM 0 H LEU A 9 19.582 11.770 0.584 1.00 0.00 H new ATOM 0 HA LEU A 9 21.275 13.588 -1.041 1.00 0.00 H new ATOM 0 HB2 LEU A 9 19.315 14.186 1.220 1.00 0.00 H new ATOM 0 HB3 LEU A 9 20.280 15.379 0.374 1.00 0.00 H new ATOM 0 HG LEU A 9 18.016 13.708 -0.795 1.00 0.00 H new ATOM 0 HD11 LEU A 9 16.857 15.879 -1.105 1.00 0.00 H new ATOM 0 HD12 LEU A 9 17.204 15.537 0.607 1.00 0.00 H new ATOM 0 HD13 LEU A 9 18.207 16.704 -0.288 1.00 0.00 H new ATOM 0 HD21 LEU A 9 18.319 14.976 -2.905 1.00 0.00 H new ATOM 0 HD22 LEU A 9 19.784 15.729 -2.230 1.00 0.00 H new ATOM 0 HD23 LEU A 9 19.735 13.972 -2.512 1.00 0.00 H new ATOM 149 N ASP A 10 21.599 12.628 2.126 1.00 0.00 N ATOM 150 CA ASP A 10 22.468 12.638 3.320 1.00 0.00 C ATOM 151 C ASP A 10 22.284 11.341 4.134 1.00 0.00 C ATOM 152 O ASP A 10 21.353 10.586 3.892 1.00 0.00 O ATOM 153 CB ASP A 10 22.179 13.912 4.165 1.00 0.00 C ATOM 154 CG ASP A 10 23.194 14.161 5.300 1.00 0.00 C ATOM 155 OD1 ASP A 10 24.399 14.293 5.009 1.00 0.00 O ATOM 156 OD2 ASP A 10 22.795 14.249 6.474 1.00 0.00 O ATOM 0 H ASP A 10 20.748 12.077 2.240 1.00 0.00 H new ATOM 0 HA ASP A 10 23.513 12.672 3.013 1.00 0.00 H new ATOM 0 HB2 ASP A 10 22.170 14.779 3.504 1.00 0.00 H new ATOM 0 HB3 ASP A 10 21.181 13.830 4.596 1.00 0.00 H new ATOM 161 N ARG A 11 23.214 11.071 5.053 1.00 0.00 N ATOM 162 CA ARG A 11 23.264 9.823 5.854 1.00 0.00 C ATOM 163 C ARG A 11 23.268 10.157 7.363 1.00 0.00 C ATOM 164 O ARG A 11 23.574 11.286 7.749 1.00 0.00 O ATOM 165 CB ARG A 11 24.547 9.052 5.442 1.00 0.00 C ATOM 166 CG ARG A 11 24.719 7.619 5.995 1.00 0.00 C ATOM 167 CD ARG A 11 25.975 6.954 5.419 1.00 0.00 C ATOM 168 NE ARG A 11 26.192 5.583 5.903 1.00 0.00 N ATOM 169 CZ ARG A 11 27.288 4.849 5.655 1.00 0.00 C ATOM 170 NH1 ARG A 11 28.317 5.363 4.988 1.00 0.00 N ATOM 171 NH2 ARG A 11 27.348 3.602 6.075 1.00 0.00 N ATOM 0 H ARG A 11 23.971 11.718 5.273 1.00 0.00 H new ATOM 0 HA ARG A 11 22.387 9.205 5.665 1.00 0.00 H new ATOM 0 HB2 ARG A 11 24.575 8.999 4.354 1.00 0.00 H new ATOM 0 HB3 ARG A 11 25.410 9.640 5.755 1.00 0.00 H new ATOM 0 HG2 ARG A 11 24.786 7.651 7.082 1.00 0.00 H new ATOM 0 HG3 ARG A 11 23.841 7.022 5.747 1.00 0.00 H new ATOM 0 HD2 ARG A 11 25.901 6.939 4.332 1.00 0.00 H new ATOM 0 HD3 ARG A 11 26.845 7.561 5.671 1.00 0.00 H new ATOM 0 HE ARG A 11 25.456 5.159 6.468 1.00 0.00 H new ATOM 0 HH11 ARG A 11 28.280 6.327 4.657 1.00 0.00 H new ATOM 0 HH12 ARG A 11 29.143 4.793 4.807 1.00 0.00 H new ATOM 0 HH21 ARG A 11 26.563 3.198 6.586 1.00 0.00 H new ATOM 0 HH22 ARG A 11 28.179 3.041 5.889 1.00 0.00 H new ATOM 185 N ARG A 12 22.890 9.177 8.198 1.00 0.00 N ATOM 186 CA ARG A 12 22.970 9.280 9.674 1.00 0.00 C ATOM 187 C ARG A 12 22.961 7.866 10.285 1.00 0.00 C ATOM 188 O ARG A 12 22.672 6.885 9.592 1.00 0.00 O ATOM 189 CB ARG A 12 21.794 10.136 10.242 1.00 0.00 C ATOM 190 CG ARG A 12 20.414 9.446 10.193 1.00 0.00 C ATOM 191 CD ARG A 12 19.252 10.358 10.626 1.00 0.00 C ATOM 192 NE ARG A 12 19.425 10.909 11.983 1.00 0.00 N ATOM 193 CZ ARG A 12 18.440 11.092 12.871 1.00 0.00 C ATOM 194 NH1 ARG A 12 17.216 10.614 12.647 1.00 0.00 N ATOM 195 NH2 ARG A 12 18.703 11.698 14.012 1.00 0.00 N ATOM 0 H ARG A 12 22.518 8.285 7.873 1.00 0.00 H new ATOM 0 HA ARG A 12 23.899 9.782 9.943 1.00 0.00 H new ATOM 0 HB2 ARG A 12 22.018 10.397 11.276 1.00 0.00 H new ATOM 0 HB3 ARG A 12 21.739 11.070 9.683 1.00 0.00 H new ATOM 0 HG2 ARG A 12 20.229 9.094 9.178 1.00 0.00 H new ATOM 0 HG3 ARG A 12 20.434 8.567 10.837 1.00 0.00 H new ATOM 0 HD2 ARG A 12 19.158 11.180 9.916 1.00 0.00 H new ATOM 0 HD3 ARG A 12 18.320 9.794 10.585 1.00 0.00 H new ATOM 0 HE ARG A 12 20.369 11.171 12.267 1.00 0.00 H new ATOM 0 HH11 ARG A 12 17.019 10.100 11.788 1.00 0.00 H new ATOM 0 HH12 ARG A 12 16.477 10.762 13.334 1.00 0.00 H new ATOM 0 HH21 ARG A 12 19.649 12.022 14.211 1.00 0.00 H new ATOM 0 HH22 ARG A 12 17.960 11.843 14.696 1.00 0.00 H new ATOM 209 N VAL A 13 23.295 7.773 11.582 1.00 0.00 N ATOM 210 CA VAL A 13 23.262 6.512 12.346 1.00 0.00 C ATOM 211 C VAL A 13 22.318 6.690 13.547 1.00 0.00 C ATOM 212 O VAL A 13 22.518 7.588 14.369 1.00 0.00 O ATOM 213 CB VAL A 13 24.697 6.071 12.821 1.00 0.00 C ATOM 214 CG1 VAL A 13 24.635 4.760 13.659 1.00 0.00 C ATOM 215 CG2 VAL A 13 25.660 5.929 11.610 1.00 0.00 C ATOM 0 H VAL A 13 23.598 8.575 12.135 1.00 0.00 H new ATOM 0 HA VAL A 13 22.894 5.718 11.697 1.00 0.00 H new ATOM 0 HB VAL A 13 25.093 6.852 13.470 1.00 0.00 H new ATOM 0 HG11 VAL A 13 25.641 4.481 13.973 1.00 0.00 H new ATOM 0 HG12 VAL A 13 24.012 4.920 14.539 1.00 0.00 H new ATOM 0 HG13 VAL A 13 24.209 3.961 13.053 1.00 0.00 H new ATOM 0 HG21 VAL A 13 26.645 5.624 11.962 1.00 0.00 H new ATOM 0 HG22 VAL A 13 25.272 5.178 10.922 1.00 0.00 H new ATOM 0 HG23 VAL A 13 25.740 6.886 11.094 1.00 0.00 H new ATOM 225 N VAL A 14 21.272 5.845 13.616 1.00 0.00 N ATOM 226 CA VAL A 14 20.234 5.894 14.661 1.00 0.00 C ATOM 227 C VAL A 14 20.135 4.515 15.335 1.00 0.00 C ATOM 228 O VAL A 14 19.800 3.540 14.677 1.00 0.00 O ATOM 229 CB VAL A 14 18.830 6.293 14.049 1.00 0.00 C ATOM 230 CG1 VAL A 14 17.704 6.302 15.116 1.00 0.00 C ATOM 231 CG2 VAL A 14 18.919 7.653 13.326 1.00 0.00 C ATOM 0 H VAL A 14 21.123 5.099 12.937 1.00 0.00 H new ATOM 0 HA VAL A 14 20.510 6.651 15.395 1.00 0.00 H new ATOM 0 HB VAL A 14 18.566 5.528 13.319 1.00 0.00 H new ATOM 0 HG11 VAL A 14 16.761 6.582 14.647 1.00 0.00 H new ATOM 0 HG12 VAL A 14 17.611 5.309 15.555 1.00 0.00 H new ATOM 0 HG13 VAL A 14 17.948 7.022 15.897 1.00 0.00 H new ATOM 0 HG21 VAL A 14 17.944 7.910 12.912 1.00 0.00 H new ATOM 0 HG22 VAL A 14 19.226 8.422 14.034 1.00 0.00 H new ATOM 0 HG23 VAL A 14 19.650 7.589 12.520 1.00 0.00 H new ATOM 241 N ASN A 15 20.482 4.447 16.639 1.00 0.00 N ATOM 242 CA ASN A 15 20.338 3.226 17.486 1.00 0.00 C ATOM 243 C ASN A 15 21.265 2.074 17.019 1.00 0.00 C ATOM 244 O ASN A 15 21.131 0.931 17.474 1.00 0.00 O ATOM 245 CB ASN A 15 18.846 2.760 17.532 1.00 0.00 C ATOM 246 CG ASN A 15 17.877 3.867 17.962 1.00 0.00 C ATOM 247 OD1 ASN A 15 18.212 4.728 18.778 1.00 0.00 O ATOM 248 ND2 ASN A 15 16.678 3.864 17.399 1.00 0.00 N ATOM 0 H ASN A 15 20.874 5.241 17.145 1.00 0.00 H new ATOM 0 HA ASN A 15 20.651 3.494 18.495 1.00 0.00 H new ATOM 0 HB2 ASN A 15 18.556 2.396 16.546 1.00 0.00 H new ATOM 0 HB3 ASN A 15 18.756 1.920 18.221 1.00 0.00 H new ATOM 0 HD21 ASN A 15 16.001 4.589 17.637 1.00 0.00 H new ATOM 0 HD22 ASN A 15 16.432 3.137 16.727 1.00 0.00 H new ATOM 255 N GLY A 16 22.213 2.400 16.125 1.00 0.00 N ATOM 256 CA GLY A 16 23.100 1.414 15.494 1.00 0.00 C ATOM 257 C GLY A 16 22.820 1.212 14.003 1.00 0.00 C ATOM 258 O GLY A 16 23.721 0.809 13.256 1.00 0.00 O ATOM 0 H GLY A 16 22.385 3.358 15.820 1.00 0.00 H new ATOM 0 HA2 GLY A 16 24.135 1.732 15.622 1.00 0.00 H new ATOM 0 HA3 GLY A 16 22.994 0.459 16.009 1.00 0.00 H new ATOM 262 N LYS A 17 21.571 1.496 13.565 1.00 0.00 N ATOM 263 CA LYS A 17 21.162 1.370 12.142 1.00 0.00 C ATOM 264 C LYS A 17 21.611 2.622 11.375 1.00 0.00 C ATOM 265 O LYS A 17 22.091 3.581 11.968 1.00 0.00 O ATOM 266 CB LYS A 17 19.613 1.163 11.988 1.00 0.00 C ATOM 267 CG LYS A 17 18.750 2.454 11.985 1.00 0.00 C ATOM 268 CD LYS A 17 17.231 2.171 11.957 1.00 0.00 C ATOM 269 CE LYS A 17 16.724 1.402 13.194 1.00 0.00 C ATOM 270 NZ LYS A 17 15.262 1.137 13.117 1.00 0.00 N ATOM 0 H LYS A 17 20.823 1.816 14.180 1.00 0.00 H new ATOM 0 HA LYS A 17 21.644 0.485 11.727 1.00 0.00 H new ATOM 0 HB2 LYS A 17 19.429 0.625 11.058 1.00 0.00 H new ATOM 0 HB3 LYS A 17 19.270 0.522 12.800 1.00 0.00 H new ATOM 0 HG2 LYS A 17 18.987 3.044 12.871 1.00 0.00 H new ATOM 0 HG3 LYS A 17 19.016 3.059 11.118 1.00 0.00 H new ATOM 0 HD2 LYS A 17 16.695 3.117 11.883 1.00 0.00 H new ATOM 0 HD3 LYS A 17 16.993 1.598 11.061 1.00 0.00 H new ATOM 0 HE2 LYS A 17 17.261 0.457 13.280 1.00 0.00 H new ATOM 0 HE3 LYS A 17 16.943 1.976 14.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 14.942 0.694 14.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 14.754 2.033 12.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 15.067 0.498 12.320 1.00 0.00 H new ATOM 284 N VAL A 18 21.425 2.618 10.052 1.00 0.00 N ATOM 285 CA VAL A 18 21.792 3.747 9.183 1.00 0.00 C ATOM 286 C VAL A 18 20.538 4.248 8.452 1.00 0.00 C ATOM 287 O VAL A 18 19.871 3.470 7.781 1.00 0.00 O ATOM 288 CB VAL A 18 22.902 3.335 8.146 1.00 0.00 C ATOM 289 CG1 VAL A 18 23.195 4.481 7.155 1.00 0.00 C ATOM 290 CG2 VAL A 18 24.200 2.872 8.865 1.00 0.00 C ATOM 0 H VAL A 18 21.015 1.831 9.549 1.00 0.00 H new ATOM 0 HA VAL A 18 22.202 4.546 9.801 1.00 0.00 H new ATOM 0 HB VAL A 18 22.520 2.490 7.573 1.00 0.00 H new ATOM 0 HG11 VAL A 18 23.966 4.166 6.452 1.00 0.00 H new ATOM 0 HG12 VAL A 18 22.286 4.731 6.609 1.00 0.00 H new ATOM 0 HG13 VAL A 18 23.541 5.357 7.704 1.00 0.00 H new ATOM 0 HG21 VAL A 18 24.948 2.594 8.122 1.00 0.00 H new ATOM 0 HG22 VAL A 18 24.585 3.685 9.481 1.00 0.00 H new ATOM 0 HG23 VAL A 18 23.979 2.012 9.497 1.00 0.00 H new ATOM 300 N GLU A 19 20.210 5.546 8.593 1.00 0.00 N ATOM 301 CA GLU A 19 19.116 6.165 7.826 1.00 0.00 C ATOM 302 C GLU A 19 19.681 7.058 6.720 1.00 0.00 C ATOM 303 O GLU A 19 20.664 7.780 6.919 1.00 0.00 O ATOM 304 CB GLU A 19 18.153 6.971 8.734 1.00 0.00 C ATOM 305 CG GLU A 19 17.587 6.191 9.936 1.00 0.00 C ATOM 306 CD GLU A 19 16.405 6.902 10.630 1.00 0.00 C ATOM 307 OE1 GLU A 19 16.500 8.126 10.909 1.00 0.00 O ATOM 308 OE2 GLU A 19 15.379 6.241 10.913 1.00 0.00 O ATOM 0 H GLU A 19 20.687 6.184 9.230 1.00 0.00 H new ATOM 0 HA GLU A 19 18.537 5.359 7.374 1.00 0.00 H new ATOM 0 HB2 GLU A 19 18.679 7.851 9.106 1.00 0.00 H new ATOM 0 HB3 GLU A 19 17.321 7.329 8.128 1.00 0.00 H new ATOM 0 HG2 GLU A 19 17.262 5.207 9.600 1.00 0.00 H new ATOM 0 HG3 GLU A 19 18.383 6.032 10.663 1.00 0.00 H new ATOM 315 N TYR A 20 19.053 6.972 5.552 1.00 0.00 N ATOM 316 CA TYR A 20 19.373 7.780 4.378 1.00 0.00 C ATOM 317 C TYR A 20 18.210 8.749 4.099 1.00 0.00 C ATOM 318 O TYR A 20 17.042 8.361 4.172 1.00 0.00 O ATOM 319 CB TYR A 20 19.618 6.850 3.164 1.00 0.00 C ATOM 320 CG TYR A 20 20.865 5.955 3.303 1.00 0.00 C ATOM 321 CD1 TYR A 20 22.131 6.434 2.958 1.00 0.00 C ATOM 322 CD2 TYR A 20 20.783 4.642 3.779 1.00 0.00 C ATOM 323 CE1 TYR A 20 23.254 5.646 3.078 1.00 0.00 C ATOM 324 CE2 TYR A 20 21.911 3.853 3.901 1.00 0.00 C ATOM 325 CZ TYR A 20 23.141 4.364 3.548 1.00 0.00 C ATOM 326 OH TYR A 20 24.266 3.589 3.676 1.00 0.00 O ATOM 0 H TYR A 20 18.285 6.320 5.390 1.00 0.00 H new ATOM 0 HA TYR A 20 20.278 8.361 4.557 1.00 0.00 H new ATOM 0 HB2 TYR A 20 18.742 6.216 3.022 1.00 0.00 H new ATOM 0 HB3 TYR A 20 19.719 7.460 2.266 1.00 0.00 H new ATOM 0 HD1 TYR A 20 22.231 7.444 2.589 1.00 0.00 H new ATOM 0 HD2 TYR A 20 19.821 4.238 4.056 1.00 0.00 H new ATOM 0 HE1 TYR A 20 24.222 6.038 2.802 1.00 0.00 H new ATOM 0 HE2 TYR A 20 21.829 2.842 4.271 1.00 0.00 H new ATOM 0 HH TYR A 20 24.018 2.707 4.023 1.00 0.00 H new ATOM 336 N PHE A 21 18.543 10.008 3.788 1.00 0.00 N ATOM 337 CA PHE A 21 17.563 11.066 3.546 1.00 0.00 C ATOM 338 C PHE A 21 17.031 10.925 2.123 1.00 0.00 C ATOM 339 O PHE A 21 17.725 11.233 1.153 1.00 0.00 O ATOM 340 CB PHE A 21 18.238 12.454 3.770 1.00 0.00 C ATOM 341 CG PHE A 21 17.301 13.658 3.785 1.00 0.00 C ATOM 342 CD1 PHE A 21 15.999 13.557 4.270 1.00 0.00 C ATOM 343 CD2 PHE A 21 17.732 14.901 3.320 1.00 0.00 C ATOM 344 CE1 PHE A 21 15.161 14.652 4.288 1.00 0.00 C ATOM 345 CE2 PHE A 21 16.892 15.999 3.339 1.00 0.00 C ATOM 346 CZ PHE A 21 15.607 15.873 3.820 1.00 0.00 C ATOM 0 H PHE A 21 19.510 10.320 3.697 1.00 0.00 H new ATOM 0 HA PHE A 21 16.725 10.984 4.239 1.00 0.00 H new ATOM 0 HB2 PHE A 21 18.776 12.426 4.717 1.00 0.00 H new ATOM 0 HB3 PHE A 21 18.980 12.606 2.986 1.00 0.00 H new ATOM 0 HD1 PHE A 21 15.641 12.607 4.637 1.00 0.00 H new ATOM 0 HD2 PHE A 21 18.737 15.007 2.939 1.00 0.00 H new ATOM 0 HE1 PHE A 21 14.155 14.555 4.668 1.00 0.00 H new ATOM 0 HE2 PHE A 21 17.243 16.954 2.977 1.00 0.00 H new ATOM 0 HZ PHE A 21 14.948 16.729 3.831 1.00 0.00 H new ATOM 356 N LEU A 22 15.798 10.435 2.019 1.00 0.00 N ATOM 357 CA LEU A 22 15.161 10.152 0.742 1.00 0.00 C ATOM 358 C LEU A 22 14.371 11.360 0.261 1.00 0.00 C ATOM 359 O LEU A 22 13.373 11.739 0.884 1.00 0.00 O ATOM 360 CB LEU A 22 14.216 8.937 0.866 1.00 0.00 C ATOM 361 CG LEU A 22 14.859 7.582 1.287 1.00 0.00 C ATOM 362 CD1 LEU A 22 13.858 6.439 1.065 1.00 0.00 C ATOM 363 CD2 LEU A 22 16.200 7.310 0.565 1.00 0.00 C ATOM 0 H LEU A 22 15.211 10.223 2.826 1.00 0.00 H new ATOM 0 HA LEU A 22 15.943 9.924 0.018 1.00 0.00 H new ATOM 0 HB2 LEU A 22 13.440 9.184 1.591 1.00 0.00 H new ATOM 0 HB3 LEU A 22 13.721 8.793 -0.094 1.00 0.00 H new ATOM 0 HG LEU A 22 15.097 7.643 2.349 1.00 0.00 H new ATOM 0 HD11 LEU A 22 14.313 5.494 1.361 1.00 0.00 H new ATOM 0 HD12 LEU A 22 12.965 6.615 1.665 1.00 0.00 H new ATOM 0 HD13 LEU A 22 13.584 6.395 0.011 1.00 0.00 H new ATOM 0 HD21 LEU A 22 16.604 6.353 0.896 1.00 0.00 H new ATOM 0 HD22 LEU A 22 16.034 7.281 -0.512 1.00 0.00 H new ATOM 0 HD23 LEU A 22 16.908 8.104 0.802 1.00 0.00 H new ATOM 375 N LYS A 23 14.837 11.968 -0.833 1.00 0.00 N ATOM 376 CA LYS A 23 14.048 12.933 -1.592 1.00 0.00 C ATOM 377 C LYS A 23 13.183 12.118 -2.568 1.00 0.00 C ATOM 378 O LYS A 23 13.689 11.579 -3.558 1.00 0.00 O ATOM 379 CB LYS A 23 14.966 13.968 -2.328 1.00 0.00 C ATOM 380 CG LYS A 23 14.307 15.357 -2.599 1.00 0.00 C ATOM 381 CD LYS A 23 13.128 15.318 -3.599 1.00 0.00 C ATOM 382 CE LYS A 23 13.553 14.878 -5.012 1.00 0.00 C ATOM 383 NZ LYS A 23 12.420 14.920 -5.962 1.00 0.00 N ATOM 0 H LYS A 23 15.769 11.804 -1.214 1.00 0.00 H new ATOM 0 HA LYS A 23 13.414 13.529 -0.936 1.00 0.00 H new ATOM 0 HB2 LYS A 23 15.867 14.120 -1.733 1.00 0.00 H new ATOM 0 HB3 LYS A 23 15.281 13.540 -3.280 1.00 0.00 H new ATOM 0 HG2 LYS A 23 13.953 15.769 -1.654 1.00 0.00 H new ATOM 0 HG3 LYS A 23 15.068 16.039 -2.979 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.365 14.635 -3.226 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.672 16.307 -3.654 1.00 0.00 H new ATOM 0 HE2 LYS A 23 14.352 15.527 -5.370 1.00 0.00 H new ATOM 0 HE3 LYS A 23 13.957 13.866 -4.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 12.732 14.569 -6.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 11.647 14.321 -5.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.083 15.899 -6.058 1.00 0.00 H new ATOM 397 N TRP A 24 11.887 12.027 -2.258 1.00 0.00 N ATOM 398 CA TRP A 24 10.942 11.170 -2.980 1.00 0.00 C ATOM 399 C TRP A 24 10.585 11.741 -4.361 1.00 0.00 C ATOM 400 O TRP A 24 10.652 12.954 -4.579 1.00 0.00 O ATOM 401 CB TRP A 24 9.666 10.973 -2.133 1.00 0.00 C ATOM 402 CG TRP A 24 9.934 10.371 -0.770 1.00 0.00 C ATOM 403 CD1 TRP A 24 10.159 11.047 0.386 1.00 0.00 C ATOM 404 CD2 TRP A 24 10.016 8.978 -0.434 1.00 0.00 C ATOM 405 NE1 TRP A 24 10.363 10.171 1.413 1.00 0.00 N ATOM 406 CE2 TRP A 24 10.290 8.900 0.934 1.00 0.00 C ATOM 407 CE3 TRP A 24 9.889 7.794 -1.161 1.00 0.00 C ATOM 408 CZ2 TRP A 24 10.422 7.695 1.595 1.00 0.00 C ATOM 409 CZ3 TRP A 24 10.031 6.591 -0.509 1.00 0.00 C ATOM 410 CH2 TRP A 24 10.300 6.548 0.862 1.00 0.00 C ATOM 0 H TRP A 24 11.461 12.550 -1.493 1.00 0.00 H new ATOM 0 HA TRP A 24 11.424 10.206 -3.145 1.00 0.00 H new ATOM 0 HB2 TRP A 24 9.172 11.936 -2.005 1.00 0.00 H new ATOM 0 HB3 TRP A 24 8.974 10.329 -2.676 1.00 0.00 H new ATOM 0 HD1 TRP A 24 10.174 12.123 0.479 1.00 0.00 H new ATOM 0 HE1 TRP A 24 10.542 10.428 2.384 1.00 0.00 H new ATOM 0 HE3 TRP A 24 9.682 7.822 -2.221 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 10.615 7.660 2.657 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 9.933 5.669 -1.063 1.00 0.00 H new ATOM 0 HH2 TRP A 24 10.413 5.592 1.351 1.00 0.00 H new ATOM 421 N LYS A 25 10.202 10.840 -5.277 1.00 0.00 N ATOM 422 CA LYS A 25 9.782 11.177 -6.645 1.00 0.00 C ATOM 423 C LYS A 25 8.276 10.867 -6.774 1.00 0.00 C ATOM 424 O LYS A 25 7.771 9.999 -6.066 1.00 0.00 O ATOM 425 CB LYS A 25 10.619 10.346 -7.660 1.00 0.00 C ATOM 426 CG LYS A 25 10.535 10.839 -9.118 1.00 0.00 C ATOM 427 CD LYS A 25 11.367 9.978 -10.096 1.00 0.00 C ATOM 428 CE LYS A 25 10.790 8.571 -10.299 1.00 0.00 C ATOM 429 NZ LYS A 25 9.465 8.597 -10.959 1.00 0.00 N ATOM 0 H LYS A 25 10.175 9.839 -5.085 1.00 0.00 H new ATOM 0 HA LYS A 25 9.949 12.233 -6.858 1.00 0.00 H new ATOM 0 HB2 LYS A 25 11.663 10.358 -7.346 1.00 0.00 H new ATOM 0 HB3 LYS A 25 10.287 9.309 -7.622 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.493 10.837 -9.437 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.881 11.871 -9.167 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.422 10.484 -11.060 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.387 9.895 -9.721 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.481 7.980 -10.900 1.00 0.00 H new ATOM 0 HE3 LYS A 25 10.703 8.074 -9.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 9.184 7.628 -11.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.761 9.003 -10.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.517 9.179 -11.820 1.00 0.00 H new ATOM 443 N GLY A 26 7.556 11.592 -7.654 1.00 0.00 N ATOM 444 CA GLY A 26 6.086 11.459 -7.775 1.00 0.00 C ATOM 445 C GLY A 26 5.357 12.297 -6.729 1.00 0.00 C ATOM 446 O GLY A 26 4.414 13.034 -7.039 1.00 0.00 O ATOM 0 H GLY A 26 7.966 12.275 -8.291 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.773 11.769 -8.772 1.00 0.00 H new ATOM 0 HA3 GLY A 26 5.805 10.412 -7.663 1.00 0.00 H new ATOM 450 N PHE A 27 5.812 12.160 -5.476 1.00 0.00 N ATOM 451 CA PHE A 27 5.486 13.076 -4.374 1.00 0.00 C ATOM 452 C PHE A 27 6.121 14.462 -4.646 1.00 0.00 C ATOM 453 O PHE A 27 6.990 14.594 -5.520 1.00 0.00 O ATOM 454 CB PHE A 27 6.037 12.497 -3.042 1.00 0.00 C ATOM 455 CG PHE A 27 5.567 11.071 -2.731 1.00 0.00 C ATOM 456 CD1 PHE A 27 4.308 10.837 -2.189 1.00 0.00 C ATOM 457 CD2 PHE A 27 6.389 9.967 -2.976 1.00 0.00 C ATOM 458 CE1 PHE A 27 3.882 9.552 -1.909 1.00 0.00 C ATOM 459 CE2 PHE A 27 5.965 8.682 -2.697 1.00 0.00 C ATOM 460 CZ PHE A 27 4.711 8.478 -2.161 1.00 0.00 C ATOM 0 H PHE A 27 6.427 11.397 -5.195 1.00 0.00 H new ATOM 0 HA PHE A 27 4.404 13.187 -4.299 1.00 0.00 H new ATOM 0 HB2 PHE A 27 7.126 12.508 -3.078 1.00 0.00 H new ATOM 0 HB3 PHE A 27 5.738 13.152 -2.224 1.00 0.00 H new ATOM 0 HD1 PHE A 27 3.653 11.671 -1.984 1.00 0.00 H new ATOM 0 HD2 PHE A 27 7.374 10.122 -3.391 1.00 0.00 H new ATOM 0 HE1 PHE A 27 2.899 9.388 -1.492 1.00 0.00 H new ATOM 0 HE2 PHE A 27 6.613 7.841 -2.898 1.00 0.00 H new ATOM 0 HZ PHE A 27 4.377 7.475 -1.938 1.00 0.00 H new ATOM 470 N THR A 28 5.683 15.489 -3.902 1.00 0.00 N ATOM 471 CA THR A 28 6.265 16.841 -3.997 1.00 0.00 C ATOM 472 C THR A 28 7.737 16.848 -3.507 1.00 0.00 C ATOM 473 O THR A 28 8.132 16.021 -2.683 1.00 0.00 O ATOM 474 CB THR A 28 5.388 17.887 -3.223 1.00 0.00 C ATOM 475 OG1 THR A 28 5.136 17.435 -1.884 1.00 0.00 O ATOM 476 CG2 THR A 28 4.041 18.151 -3.929 1.00 0.00 C ATOM 0 H THR A 28 4.925 15.410 -3.225 1.00 0.00 H new ATOM 0 HA THR A 28 6.271 17.136 -5.046 1.00 0.00 H new ATOM 0 HB THR A 28 5.951 18.820 -3.202 1.00 0.00 H new ATOM 0 HG1 THR A 28 4.589 18.098 -1.412 1.00 0.00 H new ATOM 0 HG21 THR A 28 3.468 18.881 -3.358 1.00 0.00 H new ATOM 0 HG22 THR A 28 4.225 18.538 -4.931 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.478 17.220 -3.997 1.00 0.00 H new ATOM 484 N ASP A 29 8.535 17.786 -4.041 1.00 0.00 N ATOM 485 CA ASP A 29 10.007 17.810 -3.864 1.00 0.00 C ATOM 486 C ASP A 29 10.403 18.129 -2.407 1.00 0.00 C ATOM 487 O ASP A 29 11.430 17.652 -1.917 1.00 0.00 O ATOM 488 CB ASP A 29 10.604 18.854 -4.842 1.00 0.00 C ATOM 489 CG ASP A 29 12.138 18.822 -4.939 1.00 0.00 C ATOM 490 OD1 ASP A 29 12.669 18.029 -5.744 1.00 0.00 O ATOM 491 OD2 ASP A 29 12.818 19.592 -4.226 1.00 0.00 O ATOM 0 H ASP A 29 8.182 18.555 -4.611 1.00 0.00 H new ATOM 0 HA ASP A 29 10.409 16.821 -4.086 1.00 0.00 H new ATOM 0 HB2 ASP A 29 10.185 18.687 -5.834 1.00 0.00 H new ATOM 0 HB3 ASP A 29 10.292 19.850 -4.528 1.00 0.00 H new ATOM 496 N ALA A 30 9.567 18.935 -1.730 1.00 0.00 N ATOM 497 CA ALA A 30 9.754 19.282 -0.303 1.00 0.00 C ATOM 498 C ALA A 30 9.291 18.136 0.627 1.00 0.00 C ATOM 499 O ALA A 30 9.667 18.094 1.798 1.00 0.00 O ATOM 500 CB ALA A 30 9.008 20.586 0.031 1.00 0.00 C ATOM 0 H ALA A 30 8.744 19.365 -2.151 1.00 0.00 H new ATOM 0 HA ALA A 30 10.820 19.432 -0.132 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.154 20.829 1.083 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.397 21.396 -0.586 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.944 20.458 -0.167 1.00 0.00 H new ATOM 506 N ASP A 31 8.484 17.201 0.082 1.00 0.00 N ATOM 507 CA ASP A 31 7.926 16.052 0.834 1.00 0.00 C ATOM 508 C ASP A 31 8.954 14.903 0.855 1.00 0.00 C ATOM 509 O ASP A 31 8.768 13.853 0.231 1.00 0.00 O ATOM 510 CB ASP A 31 6.574 15.625 0.187 1.00 0.00 C ATOM 511 CG ASP A 31 5.791 14.508 0.901 1.00 0.00 C ATOM 512 OD1 ASP A 31 5.823 14.432 2.149 1.00 0.00 O ATOM 513 OD2 ASP A 31 5.112 13.713 0.213 1.00 0.00 O ATOM 0 H ASP A 31 8.199 17.220 -0.897 1.00 0.00 H new ATOM 0 HA ASP A 31 7.726 16.330 1.869 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.933 16.504 0.125 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.772 15.302 -0.835 1.00 0.00 H new ATOM 518 N ASN A 32 10.081 15.173 1.527 1.00 0.00 N ATOM 519 CA ASN A 32 11.186 14.222 1.741 1.00 0.00 C ATOM 520 C ASN A 32 11.272 13.814 3.234 1.00 0.00 C ATOM 521 O ASN A 32 10.910 14.604 4.121 1.00 0.00 O ATOM 522 CB ASN A 32 12.527 14.838 1.226 1.00 0.00 C ATOM 523 CG ASN A 32 12.818 16.272 1.701 1.00 0.00 C ATOM 524 OD1 ASN A 32 12.384 16.708 2.769 1.00 0.00 O ATOM 525 ND2 ASN A 32 13.578 17.015 0.902 1.00 0.00 N ATOM 0 H ASN A 32 10.257 16.084 1.950 1.00 0.00 H new ATOM 0 HA ASN A 32 10.995 13.314 1.170 1.00 0.00 H new ATOM 0 HB2 ASN A 32 13.348 14.195 1.542 1.00 0.00 H new ATOM 0 HB3 ASN A 32 12.517 14.829 0.136 1.00 0.00 H new ATOM 0 HD21 ASN A 32 13.815 17.971 1.168 1.00 0.00 H new ATOM 0 HD22 ASN A 32 13.924 16.629 0.023 1.00 0.00 H new ATOM 532 N THR A 33 11.728 12.567 3.499 1.00 0.00 N ATOM 533 CA THR A 33 11.853 12.002 4.870 1.00 0.00 C ATOM 534 C THR A 33 13.157 11.195 5.003 1.00 0.00 C ATOM 535 O THR A 33 13.785 10.838 4.003 1.00 0.00 O ATOM 536 CB THR A 33 10.650 11.046 5.238 1.00 0.00 C ATOM 537 OG1 THR A 33 10.533 9.999 4.264 1.00 0.00 O ATOM 538 CG2 THR A 33 9.306 11.781 5.340 1.00 0.00 C ATOM 0 H THR A 33 12.021 11.920 2.767 1.00 0.00 H new ATOM 0 HA THR A 33 11.851 12.852 5.552 1.00 0.00 H new ATOM 0 HB THR A 33 10.878 10.634 6.221 1.00 0.00 H new ATOM 0 HG1 THR A 33 10.477 9.133 4.720 1.00 0.00 H new ATOM 0 HG21 THR A 33 8.521 11.070 5.595 1.00 0.00 H new ATOM 0 HG22 THR A 33 9.368 12.546 6.114 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.074 12.250 4.384 1.00 0.00 H new ATOM 546 N TRP A 34 13.546 10.909 6.255 1.00 0.00 N ATOM 547 CA TRP A 34 14.630 9.968 6.576 1.00 0.00 C ATOM 548 C TRP A 34 14.051 8.559 6.637 1.00 0.00 C ATOM 549 O TRP A 34 13.086 8.324 7.374 1.00 0.00 O ATOM 550 CB TRP A 34 15.280 10.322 7.939 1.00 0.00 C ATOM 551 CG TRP A 34 16.118 11.572 7.912 1.00 0.00 C ATOM 552 CD1 TRP A 34 15.726 12.850 8.203 1.00 0.00 C ATOM 553 CD2 TRP A 34 17.501 11.645 7.573 1.00 0.00 C ATOM 554 NE1 TRP A 34 16.788 13.703 8.070 1.00 0.00 N ATOM 555 CE2 TRP A 34 17.889 12.986 7.680 1.00 0.00 C ATOM 556 CE3 TRP A 34 18.450 10.691 7.194 1.00 0.00 C ATOM 557 CZ2 TRP A 34 19.189 13.402 7.421 1.00 0.00 C ATOM 558 CZ3 TRP A 34 19.737 11.103 6.930 1.00 0.00 C ATOM 559 CH2 TRP A 34 20.095 12.446 7.046 1.00 0.00 C ATOM 0 H TRP A 34 13.114 11.327 7.079 1.00 0.00 H new ATOM 0 HA TRP A 34 15.398 10.030 5.805 1.00 0.00 H new ATOM 0 HB2 TRP A 34 14.494 10.440 8.685 1.00 0.00 H new ATOM 0 HB3 TRP A 34 15.902 9.487 8.261 1.00 0.00 H new ATOM 0 HD1 TRP A 34 14.728 13.142 8.494 1.00 0.00 H new ATOM 0 HE1 TRP A 34 16.764 14.709 8.234 1.00 0.00 H new ATOM 0 HE3 TRP A 34 18.178 9.649 7.110 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 19.474 14.440 7.512 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 20.478 10.377 6.629 1.00 0.00 H new ATOM 0 HH2 TRP A 34 21.113 12.739 6.835 1.00 0.00 H new ATOM 570 N GLU A 35 14.604 7.632 5.837 1.00 0.00 N ATOM 571 CA GLU A 35 14.251 6.205 5.907 1.00 0.00 C ATOM 572 C GLU A 35 15.506 5.349 6.121 1.00 0.00 C ATOM 573 O GLU A 35 16.507 5.546 5.422 1.00 0.00 O ATOM 574 CB GLU A 35 13.509 5.724 4.632 1.00 0.00 C ATOM 575 CG GLU A 35 12.142 6.398 4.376 1.00 0.00 C ATOM 576 CD GLU A 35 11.187 6.389 5.591 1.00 0.00 C ATOM 577 OE1 GLU A 35 11.179 5.397 6.360 1.00 0.00 O ATOM 578 OE2 GLU A 35 10.412 7.356 5.765 1.00 0.00 O ATOM 0 H GLU A 35 15.304 7.849 5.128 1.00 0.00 H new ATOM 0 HA GLU A 35 13.577 6.087 6.755 1.00 0.00 H new ATOM 0 HB2 GLU A 35 14.151 5.900 3.769 1.00 0.00 H new ATOM 0 HB3 GLU A 35 13.358 4.647 4.703 1.00 0.00 H new ATOM 0 HG2 GLU A 35 12.311 7.430 4.070 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.653 5.895 3.542 1.00 0.00 H new ATOM 585 N PRO A 36 15.464 4.369 7.072 1.00 0.00 N ATOM 586 CA PRO A 36 16.587 3.445 7.309 1.00 0.00 C ATOM 587 C PRO A 36 16.846 2.512 6.104 1.00 0.00 C ATOM 588 O PRO A 36 15.984 2.324 5.242 1.00 0.00 O ATOM 589 CB PRO A 36 16.155 2.670 8.583 1.00 0.00 C ATOM 590 CG PRO A 36 14.659 2.756 8.603 1.00 0.00 C ATOM 591 CD PRO A 36 14.318 4.092 7.984 1.00 0.00 C ATOM 0 HA PRO A 36 17.537 3.963 7.439 1.00 0.00 H new ATOM 0 HB2 PRO A 36 16.490 1.633 8.547 1.00 0.00 H new ATOM 0 HB3 PRO A 36 16.588 3.113 9.480 1.00 0.00 H new ATOM 0 HG2 PRO A 36 14.212 1.938 8.039 1.00 0.00 H new ATOM 0 HG3 PRO A 36 14.276 2.687 9.621 1.00 0.00 H new ATOM 0 HD2 PRO A 36 13.375 4.050 7.439 1.00 0.00 H new ATOM 0 HD3 PRO A 36 14.214 4.868 8.742 1.00 0.00 H new ATOM 599 N GLU A 37 18.063 1.949 6.076 1.00 0.00 N ATOM 600 CA GLU A 37 18.531 1.012 5.033 1.00 0.00 C ATOM 601 C GLU A 37 17.655 -0.264 4.963 1.00 0.00 C ATOM 602 O GLU A 37 17.577 -0.918 3.913 1.00 0.00 O ATOM 603 CB GLU A 37 20.053 0.661 5.241 1.00 0.00 C ATOM 604 CG GLU A 37 20.572 0.551 6.710 1.00 0.00 C ATOM 605 CD GLU A 37 19.704 -0.266 7.674 1.00 0.00 C ATOM 606 OE1 GLU A 37 19.743 -1.511 7.612 1.00 0.00 O ATOM 607 OE2 GLU A 37 18.965 0.334 8.488 1.00 0.00 O ATOM 0 H GLU A 37 18.767 2.133 6.791 1.00 0.00 H new ATOM 0 HA GLU A 37 18.429 1.513 4.070 1.00 0.00 H new ATOM 0 HB2 GLU A 37 20.251 -0.288 4.742 1.00 0.00 H new ATOM 0 HB3 GLU A 37 20.646 1.420 4.730 1.00 0.00 H new ATOM 0 HG2 GLU A 37 21.569 0.111 6.689 1.00 0.00 H new ATOM 0 HG3 GLU A 37 20.677 1.558 7.113 1.00 0.00 H new ATOM 614 N GLU A 38 17.011 -0.595 6.096 1.00 0.00 N ATOM 615 CA GLU A 38 16.108 -1.756 6.204 1.00 0.00 C ATOM 616 C GLU A 38 14.809 -1.542 5.374 1.00 0.00 C ATOM 617 O GLU A 38 14.139 -2.509 5.003 1.00 0.00 O ATOM 618 CB GLU A 38 15.752 -2.039 7.693 1.00 0.00 C ATOM 619 CG GLU A 38 14.950 -0.913 8.374 1.00 0.00 C ATOM 620 CD GLU A 38 14.542 -1.218 9.822 1.00 0.00 C ATOM 621 OE1 GLU A 38 13.567 -1.974 10.028 1.00 0.00 O ATOM 622 OE2 GLU A 38 15.176 -0.695 10.764 1.00 0.00 O ATOM 0 H GLU A 38 17.101 -0.066 6.963 1.00 0.00 H new ATOM 0 HA GLU A 38 16.633 -2.620 5.797 1.00 0.00 H new ATOM 0 HB2 GLU A 38 15.178 -2.964 7.748 1.00 0.00 H new ATOM 0 HB3 GLU A 38 16.674 -2.202 8.251 1.00 0.00 H new ATOM 0 HG2 GLU A 38 15.545 0.000 8.361 1.00 0.00 H new ATOM 0 HG3 GLU A 38 14.052 -0.717 7.789 1.00 0.00 H new ATOM 629 N ASN A 39 14.472 -0.265 5.113 1.00 0.00 N ATOM 630 CA ASN A 39 13.273 0.151 4.351 1.00 0.00 C ATOM 631 C ASN A 39 13.572 0.260 2.844 1.00 0.00 C ATOM 632 O ASN A 39 12.650 0.201 2.028 1.00 0.00 O ATOM 633 CB ASN A 39 12.764 1.531 4.881 1.00 0.00 C ATOM 634 CG ASN A 39 12.056 1.463 6.239 1.00 0.00 C ATOM 635 OD1 ASN A 39 12.303 0.573 7.050 1.00 0.00 O ATOM 636 ND2 ASN A 39 11.218 2.450 6.521 1.00 0.00 N ATOM 0 H ASN A 39 15.035 0.524 5.431 1.00 0.00 H new ATOM 0 HA ASN A 39 12.505 -0.610 4.492 1.00 0.00 H new ATOM 0 HB2 ASN A 39 13.612 2.212 4.960 1.00 0.00 H new ATOM 0 HB3 ASN A 39 12.079 1.958 4.148 1.00 0.00 H new ATOM 0 HD21 ASN A 39 10.759 2.485 7.431 1.00 0.00 H new ATOM 0 HD22 ASN A 39 11.032 3.175 5.828 1.00 0.00 H new ATOM 643 N LEU A 40 14.855 0.441 2.487 1.00 0.00 N ATOM 644 CA LEU A 40 15.270 0.734 1.093 1.00 0.00 C ATOM 645 C LEU A 40 15.261 -0.538 0.224 1.00 0.00 C ATOM 646 O LEU A 40 16.008 -1.483 0.499 1.00 0.00 O ATOM 647 CB LEU A 40 16.682 1.390 1.073 1.00 0.00 C ATOM 648 CG LEU A 40 16.891 2.603 2.037 1.00 0.00 C ATOM 649 CD1 LEU A 40 18.236 3.305 1.785 1.00 0.00 C ATOM 650 CD2 LEU A 40 15.718 3.594 1.981 1.00 0.00 C ATOM 0 H LEU A 40 15.632 0.390 3.146 1.00 0.00 H new ATOM 0 HA LEU A 40 14.548 1.433 0.672 1.00 0.00 H new ATOM 0 HB2 LEU A 40 17.419 0.625 1.319 1.00 0.00 H new ATOM 0 HB3 LEU A 40 16.893 1.720 0.056 1.00 0.00 H new ATOM 0 HG LEU A 40 16.919 2.200 3.049 1.00 0.00 H new ATOM 0 HD11 LEU A 40 18.344 4.142 2.474 1.00 0.00 H new ATOM 0 HD12 LEU A 40 19.051 2.598 1.942 1.00 0.00 H new ATOM 0 HD13 LEU A 40 18.268 3.673 0.759 1.00 0.00 H new ATOM 0 HD21 LEU A 40 15.907 4.420 2.667 1.00 0.00 H new ATOM 0 HD22 LEU A 40 15.616 3.980 0.967 1.00 0.00 H new ATOM 0 HD23 LEU A 40 14.798 3.086 2.270 1.00 0.00 H new ATOM 662 N ASP A 41 14.401 -0.556 -0.812 1.00 0.00 N ATOM 663 CA ASP A 41 14.356 -1.647 -1.807 1.00 0.00 C ATOM 664 C ASP A 41 15.410 -1.390 -2.892 1.00 0.00 C ATOM 665 O ASP A 41 15.880 -2.327 -3.536 1.00 0.00 O ATOM 666 CB ASP A 41 12.958 -1.742 -2.474 1.00 0.00 C ATOM 667 CG ASP A 41 11.823 -2.061 -1.491 1.00 0.00 C ATOM 668 OD1 ASP A 41 11.494 -1.192 -0.657 1.00 0.00 O ATOM 669 OD2 ASP A 41 11.241 -3.170 -1.548 1.00 0.00 O ATOM 0 H ASP A 41 13.719 0.183 -0.984 1.00 0.00 H new ATOM 0 HA ASP A 41 14.560 -2.586 -1.292 1.00 0.00 H new ATOM 0 HB2 ASP A 41 12.739 -0.798 -2.973 1.00 0.00 H new ATOM 0 HB3 ASP A 41 12.985 -2.512 -3.245 1.00 0.00 H new ATOM 674 N CYS A 42 15.732 -0.100 -3.108 1.00 0.00 N ATOM 675 CA CYS A 42 16.739 0.342 -4.087 1.00 0.00 C ATOM 676 C CYS A 42 18.165 0.197 -3.508 1.00 0.00 C ATOM 677 O CYS A 42 18.529 0.952 -2.598 1.00 0.00 O ATOM 678 CB CYS A 42 16.486 1.811 -4.491 1.00 0.00 C ATOM 679 SG CYS A 42 17.677 2.449 -5.685 1.00 0.00 S ATOM 0 H CYS A 42 15.295 0.670 -2.602 1.00 0.00 H new ATOM 0 HA CYS A 42 16.654 -0.291 -4.970 1.00 0.00 H new ATOM 0 HB2 CYS A 42 15.483 1.896 -4.910 1.00 0.00 H new ATOM 0 HB3 CYS A 42 16.512 2.434 -3.597 1.00 0.00 H new ATOM 0 HG CYS A 42 17.690 1.684 -6.736 1.00 0.00 H new ATOM 685 N PRO A 43 19.002 -0.776 -4.006 1.00 0.00 N ATOM 686 CA PRO A 43 20.425 -0.882 -3.598 1.00 0.00 C ATOM 687 C PRO A 43 21.307 0.155 -4.340 1.00 0.00 C ATOM 688 O PRO A 43 22.419 0.461 -3.908 1.00 0.00 O ATOM 689 CB PRO A 43 20.792 -2.327 -4.003 1.00 0.00 C ATOM 690 CG PRO A 43 19.949 -2.592 -5.215 1.00 0.00 C ATOM 691 CD PRO A 43 18.643 -1.846 -4.986 1.00 0.00 C ATOM 0 HA PRO A 43 20.584 -0.679 -2.539 1.00 0.00 H new ATOM 0 HB2 PRO A 43 21.854 -2.420 -4.228 1.00 0.00 H new ATOM 0 HB3 PRO A 43 20.573 -3.033 -3.202 1.00 0.00 H new ATOM 0 HG2 PRO A 43 20.445 -2.242 -6.120 1.00 0.00 H new ATOM 0 HG3 PRO A 43 19.772 -3.660 -5.342 1.00 0.00 H new ATOM 0 HD2 PRO A 43 18.257 -1.424 -5.914 1.00 0.00 H new ATOM 0 HD3 PRO A 43 17.871 -2.506 -4.591 1.00 0.00 H new ATOM 699 N GLU A 44 20.760 0.691 -5.455 1.00 0.00 N ATOM 700 CA GLU A 44 21.443 1.638 -6.349 1.00 0.00 C ATOM 701 C GLU A 44 21.721 2.969 -5.630 1.00 0.00 C ATOM 702 O GLU A 44 22.861 3.435 -5.588 1.00 0.00 O ATOM 703 CB GLU A 44 20.567 1.878 -7.612 1.00 0.00 C ATOM 704 CG GLU A 44 21.183 2.820 -8.666 1.00 0.00 C ATOM 705 CD GLU A 44 22.555 2.341 -9.167 1.00 0.00 C ATOM 706 OE1 GLU A 44 22.607 1.371 -9.960 1.00 0.00 O ATOM 707 OE2 GLU A 44 23.585 2.929 -8.779 1.00 0.00 O ATOM 0 H GLU A 44 19.812 0.469 -5.759 1.00 0.00 H new ATOM 0 HA GLU A 44 22.401 1.213 -6.647 1.00 0.00 H new ATOM 0 HB2 GLU A 44 20.363 0.916 -8.082 1.00 0.00 H new ATOM 0 HB3 GLU A 44 19.608 2.288 -7.297 1.00 0.00 H new ATOM 0 HG2 GLU A 44 20.502 2.905 -9.513 1.00 0.00 H new ATOM 0 HG3 GLU A 44 21.286 3.817 -8.239 1.00 0.00 H new ATOM 714 N LEU A 45 20.658 3.545 -5.038 1.00 0.00 N ATOM 715 CA LEU A 45 20.727 4.842 -4.328 1.00 0.00 C ATOM 716 C LEU A 45 21.615 4.774 -3.087 1.00 0.00 C ATOM 717 O LEU A 45 22.210 5.780 -2.696 1.00 0.00 O ATOM 718 CB LEU A 45 19.315 5.332 -3.930 1.00 0.00 C ATOM 719 CG LEU A 45 18.400 5.728 -5.111 1.00 0.00 C ATOM 720 CD1 LEU A 45 17.024 6.211 -4.606 1.00 0.00 C ATOM 721 CD2 LEU A 45 19.105 6.762 -6.026 1.00 0.00 C ATOM 0 H LEU A 45 19.727 3.128 -5.037 1.00 0.00 H new ATOM 0 HA LEU A 45 21.173 5.554 -5.023 1.00 0.00 H new ATOM 0 HB2 LEU A 45 18.823 4.546 -3.357 1.00 0.00 H new ATOM 0 HB3 LEU A 45 19.419 6.191 -3.268 1.00 0.00 H new ATOM 0 HG LEU A 45 18.211 4.845 -5.722 1.00 0.00 H new ATOM 0 HD11 LEU A 45 16.399 6.484 -5.457 1.00 0.00 H new ATOM 0 HD12 LEU A 45 16.542 5.412 -4.043 1.00 0.00 H new ATOM 0 HD13 LEU A 45 17.158 7.079 -3.961 1.00 0.00 H new ATOM 0 HD21 LEU A 45 18.444 7.028 -6.851 1.00 0.00 H new ATOM 0 HD22 LEU A 45 19.343 7.656 -5.449 1.00 0.00 H new ATOM 0 HD23 LEU A 45 20.024 6.330 -6.422 1.00 0.00 H new ATOM 733 N ILE A 46 21.693 3.588 -2.476 1.00 0.00 N ATOM 734 CA ILE A 46 22.559 3.375 -1.312 1.00 0.00 C ATOM 735 C ILE A 46 24.026 3.403 -1.779 1.00 0.00 C ATOM 736 O ILE A 46 24.811 4.243 -1.346 1.00 0.00 O ATOM 737 CB ILE A 46 22.276 1.991 -0.608 1.00 0.00 C ATOM 738 CG1 ILE A 46 20.752 1.785 -0.360 1.00 0.00 C ATOM 739 CG2 ILE A 46 23.072 1.871 0.713 1.00 0.00 C ATOM 740 CD1 ILE A 46 20.372 0.427 0.231 1.00 0.00 C ATOM 0 H ILE A 46 21.169 2.763 -2.767 1.00 0.00 H new ATOM 0 HA ILE A 46 22.356 4.166 -0.590 1.00 0.00 H new ATOM 0 HB ILE A 46 22.613 1.201 -1.279 1.00 0.00 H new ATOM 0 HG12 ILE A 46 20.399 2.568 0.311 1.00 0.00 H new ATOM 0 HG13 ILE A 46 20.225 1.914 -1.305 1.00 0.00 H new ATOM 0 HG21 ILE A 46 22.860 0.909 1.179 1.00 0.00 H new ATOM 0 HG22 ILE A 46 24.139 1.945 0.503 1.00 0.00 H new ATOM 0 HG23 ILE A 46 22.778 2.674 1.389 1.00 0.00 H new ATOM 0 HD11 ILE A 46 19.292 0.379 0.367 1.00 0.00 H new ATOM 0 HD12 ILE A 46 20.688 -0.366 -0.447 1.00 0.00 H new ATOM 0 HD13 ILE A 46 20.865 0.299 1.195 1.00 0.00 H new ATOM 752 N GLU A 47 24.317 2.521 -2.755 1.00 0.00 N ATOM 753 CA GLU A 47 25.684 2.227 -3.215 1.00 0.00 C ATOM 754 C GLU A 47 26.348 3.466 -3.832 1.00 0.00 C ATOM 755 O GLU A 47 27.401 3.905 -3.365 1.00 0.00 O ATOM 756 CB GLU A 47 25.647 1.078 -4.262 1.00 0.00 C ATOM 757 CG GLU A 47 27.027 0.601 -4.754 1.00 0.00 C ATOM 758 CD GLU A 47 27.880 -0.005 -3.638 1.00 0.00 C ATOM 759 OE1 GLU A 47 27.650 -1.179 -3.275 1.00 0.00 O ATOM 760 OE2 GLU A 47 28.774 0.689 -3.105 1.00 0.00 O ATOM 0 H GLU A 47 23.601 1.989 -3.250 1.00 0.00 H new ATOM 0 HA GLU A 47 26.274 1.923 -2.350 1.00 0.00 H new ATOM 0 HB2 GLU A 47 25.119 0.229 -3.829 1.00 0.00 H new ATOM 0 HB3 GLU A 47 25.066 1.409 -5.122 1.00 0.00 H new ATOM 0 HG2 GLU A 47 26.890 -0.139 -5.542 1.00 0.00 H new ATOM 0 HG3 GLU A 47 27.560 1.443 -5.196 1.00 0.00 H new ATOM 767 N ALA A 48 25.676 4.040 -4.846 1.00 0.00 N ATOM 768 CA ALA A 48 26.191 5.187 -5.629 1.00 0.00 C ATOM 769 C ALA A 48 26.509 6.393 -4.726 1.00 0.00 C ATOM 770 O ALA A 48 27.534 7.048 -4.894 1.00 0.00 O ATOM 771 CB ALA A 48 25.181 5.584 -6.721 1.00 0.00 C ATOM 0 H ALA A 48 24.756 3.723 -5.150 1.00 0.00 H new ATOM 0 HA ALA A 48 27.122 4.876 -6.103 1.00 0.00 H new ATOM 0 HB1 ALA A 48 25.572 6.428 -7.289 1.00 0.00 H new ATOM 0 HB2 ALA A 48 25.019 4.740 -7.391 1.00 0.00 H new ATOM 0 HB3 ALA A 48 24.236 5.866 -6.257 1.00 0.00 H new ATOM 777 N PHE A 49 25.619 6.630 -3.747 1.00 0.00 N ATOM 778 CA PHE A 49 25.756 7.696 -2.732 1.00 0.00 C ATOM 779 C PHE A 49 26.990 7.468 -1.824 1.00 0.00 C ATOM 780 O PHE A 49 27.681 8.428 -1.455 1.00 0.00 O ATOM 781 CB PHE A 49 24.448 7.771 -1.899 1.00 0.00 C ATOM 782 CG PHE A 49 24.526 8.625 -0.643 1.00 0.00 C ATOM 783 CD1 PHE A 49 24.547 10.013 -0.719 1.00 0.00 C ATOM 784 CD2 PHE A 49 24.583 8.034 0.622 1.00 0.00 C ATOM 785 CE1 PHE A 49 24.633 10.782 0.425 1.00 0.00 C ATOM 786 CE2 PHE A 49 24.665 8.804 1.761 1.00 0.00 C ATOM 787 CZ PHE A 49 24.688 10.178 1.664 1.00 0.00 C ATOM 0 H PHE A 49 24.769 6.078 -3.634 1.00 0.00 H new ATOM 0 HA PHE A 49 25.917 8.648 -3.238 1.00 0.00 H new ATOM 0 HB2 PHE A 49 23.653 8.161 -2.535 1.00 0.00 H new ATOM 0 HB3 PHE A 49 24.160 6.759 -1.613 1.00 0.00 H new ATOM 0 HD1 PHE A 49 24.495 10.496 -1.684 1.00 0.00 H new ATOM 0 HD2 PHE A 49 24.562 6.958 0.708 1.00 0.00 H new ATOM 0 HE1 PHE A 49 24.657 11.859 0.349 1.00 0.00 H new ATOM 0 HE2 PHE A 49 24.711 8.330 2.731 1.00 0.00 H new ATOM 0 HZ PHE A 49 24.749 10.782 2.557 1.00 0.00 H new ATOM 797 N LEU A 50 27.252 6.200 -1.460 1.00 0.00 N ATOM 798 CA LEU A 50 28.420 5.836 -0.623 1.00 0.00 C ATOM 799 C LEU A 50 29.734 6.068 -1.406 1.00 0.00 C ATOM 800 O LEU A 50 30.719 6.555 -0.844 1.00 0.00 O ATOM 801 CB LEU A 50 28.314 4.368 -0.134 1.00 0.00 C ATOM 802 CG LEU A 50 27.087 4.038 0.774 1.00 0.00 C ATOM 803 CD1 LEU A 50 27.084 2.555 1.200 1.00 0.00 C ATOM 804 CD2 LEU A 50 27.006 5.002 1.981 1.00 0.00 C ATOM 0 H LEU A 50 26.672 5.406 -1.731 1.00 0.00 H new ATOM 0 HA LEU A 50 28.428 6.478 0.258 1.00 0.00 H new ATOM 0 HB2 LEU A 50 28.281 3.716 -1.007 1.00 0.00 H new ATOM 0 HB3 LEU A 50 29.224 4.121 0.414 1.00 0.00 H new ATOM 0 HG LEU A 50 26.182 4.195 0.186 1.00 0.00 H new ATOM 0 HD11 LEU A 50 26.217 2.359 1.831 1.00 0.00 H new ATOM 0 HD12 LEU A 50 27.038 1.922 0.314 1.00 0.00 H new ATOM 0 HD13 LEU A 50 27.995 2.334 1.757 1.00 0.00 H new ATOM 0 HD21 LEU A 50 26.141 4.746 2.594 1.00 0.00 H new ATOM 0 HD22 LEU A 50 27.913 4.914 2.579 1.00 0.00 H new ATOM 0 HD23 LEU A 50 26.906 6.026 1.622 1.00 0.00 H new ATOM 816 N ASN A 51 29.708 5.759 -2.724 1.00 0.00 N ATOM 817 CA ASN A 51 30.848 6.011 -3.646 1.00 0.00 C ATOM 818 C ASN A 51 31.038 7.517 -3.897 1.00 0.00 C ATOM 819 O ASN A 51 32.154 7.962 -4.162 1.00 0.00 O ATOM 820 CB ASN A 51 30.664 5.267 -4.998 1.00 0.00 C ATOM 821 CG ASN A 51 30.749 3.741 -4.877 1.00 0.00 C ATOM 822 OD1 ASN A 51 31.831 3.165 -4.917 1.00 0.00 O ATOM 823 ND2 ASN A 51 29.612 3.073 -4.776 1.00 0.00 N ATOM 0 H ASN A 51 28.902 5.330 -3.179 1.00 0.00 H new ATOM 0 HA ASN A 51 31.743 5.622 -3.160 1.00 0.00 H new ATOM 0 HB2 ASN A 51 29.697 5.536 -5.422 1.00 0.00 H new ATOM 0 HB3 ASN A 51 31.425 5.610 -5.698 1.00 0.00 H new ATOM 0 HD21 ASN A 51 29.622 2.054 -4.729 1.00 0.00 H new ATOM 0 HD22 ASN A 51 28.726 3.577 -4.745 1.00 0.00 H new ATOM 830 N SER A 52 29.935 8.292 -3.805 1.00 0.00 N ATOM 831 CA SER A 52 29.964 9.773 -3.950 1.00 0.00 C ATOM 832 C SER A 52 30.772 10.437 -2.811 1.00 0.00 C ATOM 833 O SER A 52 31.276 11.555 -2.967 1.00 0.00 O ATOM 834 CB SER A 52 28.520 10.347 -3.963 1.00 0.00 C ATOM 835 OG SER A 52 27.760 9.823 -5.042 1.00 0.00 O ATOM 0 H SER A 52 29.003 7.916 -3.629 1.00 0.00 H new ATOM 0 HA SER A 52 30.453 9.998 -4.898 1.00 0.00 H new ATOM 0 HB2 SER A 52 28.026 10.112 -3.021 1.00 0.00 H new ATOM 0 HB3 SER A 52 28.560 11.434 -4.039 1.00 0.00 H new ATOM 0 HG SER A 52 27.716 8.847 -4.968 1.00 0.00 H new ATOM 954 N GLN B 5 12.704 3.822 -8.545 1.00 0.00 N ATOM 955 CA GLN B 5 13.416 3.240 -7.397 1.00 0.00 C ATOM 956 C GLN B 5 12.503 3.223 -6.174 1.00 0.00 C ATOM 957 O GLN B 5 11.834 4.209 -5.884 1.00 0.00 O ATOM 958 CB GLN B 5 14.701 4.036 -7.116 1.00 0.00 C ATOM 959 CG GLN B 5 15.741 3.935 -8.247 1.00 0.00 C ATOM 960 CD GLN B 5 16.805 5.023 -8.205 1.00 0.00 C ATOM 961 OE1 GLN B 5 17.972 4.784 -8.514 1.00 0.00 O ATOM 962 NE2 GLN B 5 16.391 6.251 -7.919 1.00 0.00 N ATOM 0 HA GLN B 5 13.697 2.213 -7.629 1.00 0.00 H new ATOM 0 HB2 GLN B 5 14.444 5.084 -6.961 1.00 0.00 H new ATOM 0 HB3 GLN B 5 15.147 3.677 -6.189 1.00 0.00 H new ATOM 0 HG2 GLN B 5 16.228 2.962 -8.193 1.00 0.00 H new ATOM 0 HG3 GLN B 5 15.226 3.981 -9.206 1.00 0.00 H new ATOM 0 HE21 GLN B 5 15.416 6.415 -7.666 1.00 0.00 H new ATOM 0 HE22 GLN B 5 17.047 7.031 -7.952 1.00 0.00 H new ATOM 971 N THR B 6 12.495 2.098 -5.465 1.00 0.00 N ATOM 972 CA THR B 6 11.480 1.791 -4.463 1.00 0.00 C ATOM 973 C THR B 6 12.077 1.812 -3.042 1.00 0.00 C ATOM 974 O THR B 6 13.269 1.532 -2.835 1.00 0.00 O ATOM 975 CB THR B 6 10.836 0.399 -4.782 1.00 0.00 C ATOM 976 OG1 THR B 6 10.450 0.357 -6.172 1.00 0.00 O ATOM 977 CG2 THR B 6 9.602 0.088 -3.909 1.00 0.00 C ATOM 0 H THR B 6 13.199 1.368 -5.571 1.00 0.00 H new ATOM 0 HA THR B 6 10.705 2.557 -4.499 1.00 0.00 H new ATOM 0 HB THR B 6 11.589 -0.357 -4.559 1.00 0.00 H new ATOM 0 HG1 THR B 6 10.048 -0.514 -6.374 1.00 0.00 H new ATOM 0 HG21 THR B 6 9.202 -0.890 -4.179 1.00 0.00 H new ATOM 0 HG22 THR B 6 9.891 0.084 -2.858 1.00 0.00 H new ATOM 0 HG23 THR B 6 8.839 0.849 -4.073 1.00 0.00 H new ATOM 985 N ALA B 7 11.220 2.164 -2.082 1.00 0.00 N ATOM 986 CA ALA B 7 11.522 2.172 -0.653 1.00 0.00 C ATOM 987 C ALA B 7 10.213 2.083 0.145 1.00 0.00 C ATOM 988 O ALA B 7 9.105 2.154 -0.425 1.00 0.00 O ATOM 989 CB ALA B 7 12.327 3.424 -0.271 1.00 0.00 C ATOM 0 H ALA B 7 10.266 2.461 -2.287 1.00 0.00 H new ATOM 0 HA ALA B 7 12.139 1.306 -0.411 1.00 0.00 H new ATOM 0 HB1 ALA B 7 12.540 3.408 0.798 1.00 0.00 H new ATOM 0 HB2 ALA B 7 13.264 3.438 -0.827 1.00 0.00 H new ATOM 0 HB3 ALA B 7 11.749 4.316 -0.512 1.00 0.00 H new ATOM 995 N ARG B 8 10.345 1.924 1.462 1.00 0.00 N ATOM 996 CA ARG B 8 9.205 1.875 2.390 1.00 0.00 C ATOM 997 C ARG B 8 9.353 3.038 3.384 1.00 0.00 C ATOM 998 O ARG B 8 10.474 3.431 3.714 1.00 0.00 O ATOM 999 CB ARG B 8 9.170 0.475 3.120 1.00 0.00 C ATOM 1000 CG ARG B 8 7.759 -0.156 3.296 1.00 0.00 C ATOM 1001 CD ARG B 8 6.824 0.659 4.214 1.00 0.00 C ATOM 1002 NE ARG B 8 5.433 0.673 3.734 1.00 0.00 N ATOM 1003 CZ ARG B 8 4.435 1.388 4.277 1.00 0.00 C ATOM 1004 NH1 ARG B 8 4.604 2.077 5.404 1.00 0.00 N ATOM 1005 NH2 ARG B 8 3.268 1.417 3.662 1.00 0.00 N ATOM 0 H ARG B 8 11.250 1.825 1.922 1.00 0.00 H new ATOM 0 HA ARG B 8 8.260 1.982 1.858 1.00 0.00 H new ATOM 0 HB2 ARG B 8 9.793 -0.222 2.560 1.00 0.00 H new ATOM 0 HB3 ARG B 8 9.624 0.587 4.105 1.00 0.00 H new ATOM 0 HG2 ARG B 8 7.292 -0.259 2.316 1.00 0.00 H new ATOM 0 HG3 ARG B 8 7.869 -1.161 3.704 1.00 0.00 H new ATOM 0 HD2 ARG B 8 6.853 0.241 5.220 1.00 0.00 H new ATOM 0 HD3 ARG B 8 7.191 1.683 4.284 1.00 0.00 H new ATOM 0 HE ARG B 8 5.209 0.094 2.925 1.00 0.00 H new ATOM 0 HH11 ARG B 8 5.508 2.070 5.876 1.00 0.00 H new ATOM 0 HH12 ARG B 8 3.829 2.612 5.796 1.00 0.00 H new ATOM 0 HH21 ARG B 8 3.138 0.902 2.791 1.00 0.00 H new ATOM 0 HH22 ARG B 8 2.496 1.954 4.057 1.00 0.00 H new