USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 470 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 31 HIS : no HD1:sc= 0 X(o=-0.096,f=-0.12) USER MOD Set 1.2: A 42 THR OG1 : rot 180:sc= -0.0959 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -57:sc= 0.724 USER MOD Single : A 21 SER OG : rot 180:sc= 0.505 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl -158:sc= -0.855 (180deg=-2.5) USER MOD Single : A 32 ASN : amide:sc= -0.401 K(o=-0.4,f=-2.9!) USER MOD Single : A 39 MET CE :methyl -127:sc= -0.943 (180deg=-2.48) USER MOD Single : A 43 ASN : amide:sc= 0.0904 K(o=0.09,f=-5.4!) USER MOD Single : A 46 THR OG1 : rot -30:sc= 0.919 USER MOD Single : A 49 GLN : amide:sc= 0.643 K(o=0.64,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 32 N ARG A 3 -7.100 -5.521 -7.949 1.00 0.00 N ATOM 33 CA ARG A 3 -7.425 -6.137 -6.663 1.00 0.00 C ATOM 34 C ARG A 3 -7.489 -5.058 -5.571 1.00 0.00 C ATOM 35 O ARG A 3 -7.565 -3.859 -5.869 1.00 0.00 O ATOM 36 CB ARG A 3 -6.382 -7.247 -6.411 1.00 0.00 C ATOM 37 CG ARG A 3 -6.871 -8.362 -5.485 1.00 0.00 C ATOM 38 CD ARG A 3 -5.791 -8.834 -4.501 1.00 0.00 C ATOM 39 NE ARG A 3 -6.462 -9.369 -3.303 1.00 0.00 N ATOM 40 CZ ARG A 3 -7.100 -10.546 -3.258 1.00 0.00 C ATOM 41 NH1 ARG A 3 -6.834 -11.486 -4.152 1.00 0.00 N ATOM 42 NH2 ARG A 3 -8.015 -10.769 -2.325 1.00 0.00 N ATOM 0 HA ARG A 3 -8.411 -6.603 -6.657 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -6.093 -7.683 -7.367 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -5.486 -6.799 -5.981 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -7.737 -8.009 -4.925 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -7.203 -9.208 -6.086 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -5.166 -9.600 -4.961 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -5.135 -8.007 -4.231 1.00 0.00 H new ATOM 0 HE ARG A 3 -6.439 -8.806 -2.453 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -6.140 -11.316 -4.880 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -7.323 -12.380 -4.113 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -8.233 -10.044 -1.641 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -8.501 -11.665 -2.291 1.00 0.00 H new ATOM 56 N ARG A 4 -7.459 -5.454 -4.297 1.00 0.00 N ATOM 57 CA ARG A 4 -7.097 -4.606 -3.162 1.00 0.00 C ATOM 58 C ARG A 4 -6.136 -5.369 -2.265 1.00 0.00 C ATOM 59 O ARG A 4 -6.140 -6.601 -2.295 1.00 0.00 O ATOM 60 CB ARG A 4 -8.336 -4.215 -2.343 1.00 0.00 C ATOM 61 CG ARG A 4 -9.018 -2.949 -2.860 1.00 0.00 C ATOM 62 CD ARG A 4 -10.254 -3.173 -3.718 1.00 0.00 C ATOM 63 NE ARG A 4 -11.448 -3.529 -2.926 1.00 0.00 N ATOM 64 CZ ARG A 4 -12.712 -3.150 -3.169 1.00 0.00 C ATOM 65 NH1 ARG A 4 -12.984 -2.354 -4.200 1.00 0.00 N ATOM 66 NH2 ARG A 4 -13.711 -3.569 -2.396 1.00 0.00 N ATOM 0 H ARG A 4 -7.694 -6.407 -4.019 1.00 0.00 H new ATOM 0 HA ARG A 4 -6.633 -3.697 -3.544 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -9.050 -5.038 -2.359 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -8.045 -4.066 -1.303 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -9.298 -2.333 -2.005 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -8.293 -2.378 -3.440 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -10.461 -2.269 -4.291 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -10.052 -3.967 -4.437 1.00 0.00 H new ATOM 0 HE ARG A 4 -11.297 -4.124 -2.111 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -12.231 -2.031 -4.807 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -13.946 -2.067 -4.383 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -13.521 -4.186 -1.607 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -14.667 -3.273 -2.593 1.00 0.00 H new ATOM 80 N VAL A 5 -5.416 -4.643 -1.410 1.00 0.00 N ATOM 81 CA VAL A 5 -4.729 -5.205 -0.254 1.00 0.00 C ATOM 82 C VAL A 5 -5.072 -4.348 0.980 1.00 0.00 C ATOM 83 O VAL A 5 -5.585 -3.234 0.843 1.00 0.00 O ATOM 84 CB VAL A 5 -3.216 -5.381 -0.501 1.00 0.00 C ATOM 85 CG1 VAL A 5 -2.947 -6.362 -1.647 1.00 0.00 C ATOM 86 CG2 VAL A 5 -2.500 -4.051 -0.752 1.00 0.00 C ATOM 0 H VAL A 5 -5.294 -3.635 -1.505 1.00 0.00 H new ATOM 0 HA VAL A 5 -5.080 -6.220 -0.067 1.00 0.00 H new ATOM 0 HB VAL A 5 -2.804 -5.799 0.417 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.872 -6.463 -1.795 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -3.372 -7.335 -1.401 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.405 -5.987 -2.562 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.439 -4.235 -0.919 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.928 -3.568 -1.630 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -2.623 -3.402 0.115 1.00 0.00 H new ATOM 96 N ARG A 6 -4.818 -4.823 2.199 1.00 0.00 N ATOM 97 CA ARG A 6 -4.998 -4.041 3.435 1.00 0.00 C ATOM 98 C ARG A 6 -3.690 -4.153 4.217 1.00 0.00 C ATOM 99 O ARG A 6 -3.093 -5.220 4.201 1.00 0.00 O ATOM 100 CB ARG A 6 -6.202 -4.594 4.224 1.00 0.00 C ATOM 101 CG ARG A 6 -6.605 -3.698 5.402 1.00 0.00 C ATOM 102 CD ARG A 6 -7.504 -4.399 6.421 1.00 0.00 C ATOM 103 NE ARG A 6 -8.790 -4.888 5.884 1.00 0.00 N ATOM 104 CZ ARG A 6 -9.288 -6.120 6.092 1.00 0.00 C ATOM 105 NH1 ARG A 6 -8.533 -7.129 6.491 1.00 0.00 N ATOM 106 NH2 ARG A 6 -10.578 -6.357 5.901 1.00 0.00 N ATOM 0 H ARG A 6 -4.478 -5.770 2.364 1.00 0.00 H new ATOM 0 HA ARG A 6 -5.213 -2.992 3.234 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -7.052 -4.704 3.550 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -5.960 -5.589 4.597 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -5.705 -3.346 5.905 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -7.121 -2.818 5.019 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -6.959 -5.243 6.844 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -7.708 -3.709 7.239 1.00 0.00 H new ATOM 0 HE ARG A 6 -9.340 -4.245 5.314 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -7.536 -6.987 6.652 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -8.948 -8.049 6.638 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -11.195 -5.604 5.596 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -10.954 -7.292 6.059 1.00 0.00 H new ATOM 120 N ALA A 7 -3.211 -3.097 4.865 1.00 0.00 N ATOM 121 CA ALA A 7 -2.051 -3.150 5.741 1.00 0.00 C ATOM 122 C ALA A 7 -2.403 -3.907 7.014 1.00 0.00 C ATOM 123 O ALA A 7 -3.467 -3.678 7.592 1.00 0.00 O ATOM 124 CB ALA A 7 -1.622 -1.727 6.102 1.00 0.00 C ATOM 0 H ALA A 7 -3.625 -2.168 4.794 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.236 -3.662 5.229 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -0.753 -1.765 6.759 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -1.367 -1.182 5.193 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.440 -1.219 6.612 1.00 0.00 H new ATOM 130 N ILE A 8 -1.459 -4.702 7.512 1.00 0.00 N ATOM 131 CA ILE A 8 -1.536 -5.342 8.827 1.00 0.00 C ATOM 132 C ILE A 8 -0.362 -4.934 9.727 1.00 0.00 C ATOM 133 O ILE A 8 -0.277 -5.404 10.863 1.00 0.00 O ATOM 134 CB ILE A 8 -1.725 -6.876 8.734 1.00 0.00 C ATOM 135 CG1 ILE A 8 -0.466 -7.662 8.304 1.00 0.00 C ATOM 136 CG2 ILE A 8 -2.971 -7.238 7.907 1.00 0.00 C ATOM 137 CD1 ILE A 8 -0.282 -7.838 6.800 1.00 0.00 C ATOM 0 H ILE A 8 -0.602 -4.925 7.005 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.439 -4.968 9.309 1.00 0.00 H new ATOM 0 HB ILE A 8 -1.897 -7.210 9.757 1.00 0.00 H new ATOM 0 HG12 ILE A 8 0.412 -7.153 8.703 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -0.500 -8.649 8.766 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.075 -8.322 7.861 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.856 -6.808 8.376 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.866 -6.841 6.898 1.00 0.00 H new ATOM 0 HD11 ILE A 8 0.631 -8.403 6.609 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -1.135 -8.378 6.390 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -0.209 -6.859 6.325 1.00 0.00 H new ATOM 149 N LEU A 9 0.525 -4.051 9.267 1.00 0.00 N ATOM 150 CA LEU A 9 1.651 -3.491 10.015 1.00 0.00 C ATOM 151 C LEU A 9 1.803 -2.028 9.585 1.00 0.00 C ATOM 152 O LEU A 9 1.318 -1.662 8.515 1.00 0.00 O ATOM 153 CB LEU A 9 2.927 -4.302 9.696 1.00 0.00 C ATOM 154 CG LEU A 9 3.135 -5.529 10.611 1.00 0.00 C ATOM 155 CD1 LEU A 9 3.801 -6.689 9.866 1.00 0.00 C ATOM 156 CD2 LEU A 9 4.002 -5.173 11.822 1.00 0.00 C ATOM 0 H LEU A 9 0.475 -3.689 8.315 1.00 0.00 H new ATOM 0 HA LEU A 9 1.483 -3.542 11.091 1.00 0.00 H new ATOM 0 HB2 LEU A 9 2.883 -4.637 8.660 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.793 -3.646 9.782 1.00 0.00 H new ATOM 0 HG LEU A 9 2.143 -5.837 10.941 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.929 -7.532 10.545 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.174 -6.991 9.027 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.775 -6.371 9.494 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.132 -6.055 12.449 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.977 -4.823 11.482 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.516 -4.387 12.399 1.00 0.00 H new ATOM 168 N PRO A 10 2.420 -1.174 10.414 1.00 0.00 N ATOM 169 CA PRO A 10 2.695 0.215 10.083 1.00 0.00 C ATOM 170 C PRO A 10 4.048 0.348 9.373 1.00 0.00 C ATOM 171 O PRO A 10 4.879 -0.568 9.400 1.00 0.00 O ATOM 172 CB PRO A 10 2.730 0.908 11.444 1.00 0.00 C ATOM 173 CG PRO A 10 3.423 -0.144 12.311 1.00 0.00 C ATOM 174 CD PRO A 10 2.907 -1.467 11.753 1.00 0.00 C ATOM 0 HA PRO A 10 1.956 0.643 9.406 1.00 0.00 H new ATOM 0 HB2 PRO A 10 3.288 1.844 11.412 1.00 0.00 H new ATOM 0 HB3 PRO A 10 1.730 1.145 11.808 1.00 0.00 H new ATOM 0 HG2 PRO A 10 4.508 -0.073 12.236 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.168 -0.027 13.364 1.00 0.00 H new ATOM 0 HD2 PRO A 10 3.700 -2.215 11.725 1.00 0.00 H new ATOM 0 HD3 PRO A 10 2.111 -1.870 12.378 1.00 0.00 H new ATOM 182 N TYR A 11 4.303 1.520 8.789 1.00 0.00 N ATOM 183 CA TYR A 11 5.592 1.848 8.207 1.00 0.00 C ATOM 184 C TYR A 11 5.797 3.368 8.137 1.00 0.00 C ATOM 185 O TYR A 11 4.846 4.146 8.271 1.00 0.00 O ATOM 186 CB TYR A 11 5.674 1.201 6.816 1.00 0.00 C ATOM 187 CG TYR A 11 7.090 0.955 6.347 1.00 0.00 C ATOM 188 CD1 TYR A 11 7.797 -0.185 6.767 1.00 0.00 C ATOM 189 CD2 TYR A 11 7.702 1.865 5.478 1.00 0.00 C ATOM 190 CE1 TYR A 11 9.076 -0.457 6.251 1.00 0.00 C ATOM 191 CE2 TYR A 11 8.994 1.626 4.993 1.00 0.00 C ATOM 192 CZ TYR A 11 9.680 0.447 5.347 1.00 0.00 C ATOM 193 OH TYR A 11 10.911 0.188 4.819 1.00 0.00 O ATOM 0 H TYR A 11 3.613 2.267 8.709 1.00 0.00 H new ATOM 0 HA TYR A 11 6.392 1.456 8.835 1.00 0.00 H new ATOM 0 HB2 TYR A 11 5.136 0.253 6.833 1.00 0.00 H new ATOM 0 HB3 TYR A 11 5.167 1.843 6.095 1.00 0.00 H new ATOM 0 HD1 TYR A 11 7.355 -0.855 7.490 1.00 0.00 H new ATOM 0 HD2 TYR A 11 7.174 2.758 5.179 1.00 0.00 H new ATOM 0 HE1 TYR A 11 9.597 -1.356 6.545 1.00 0.00 H new ATOM 0 HE2 TYR A 11 9.467 2.349 4.345 1.00 0.00 H new ATOM 0 HH TYR A 11 11.169 0.917 4.217 1.00 0.00 H new ATOM 203 N THR A 12 7.034 3.787 7.872 1.00 0.00 N ATOM 204 CA THR A 12 7.457 5.147 7.576 1.00 0.00 C ATOM 205 C THR A 12 8.182 5.114 6.236 1.00 0.00 C ATOM 206 O THR A 12 9.226 4.469 6.124 1.00 0.00 O ATOM 207 CB THR A 12 8.344 5.672 8.721 1.00 0.00 C ATOM 208 OG1 THR A 12 7.535 6.006 9.836 1.00 0.00 O ATOM 209 CG2 THR A 12 9.234 6.873 8.382 1.00 0.00 C ATOM 0 H THR A 12 7.819 3.136 7.859 1.00 0.00 H new ATOM 0 HA THR A 12 6.612 5.831 7.501 1.00 0.00 H new ATOM 0 HB THR A 12 9.028 4.851 8.936 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.102 6.338 10.563 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.813 7.156 9.261 1.00 0.00 H new ATOM 0 HG22 THR A 12 9.912 6.606 7.571 1.00 0.00 H new ATOM 0 HG23 THR A 12 8.611 7.712 8.072 1.00 0.00 H new ATOM 217 N LYS A 13 7.632 5.780 5.219 1.00 0.00 N ATOM 218 CA LYS A 13 8.339 5.928 3.959 1.00 0.00 C ATOM 219 C LYS A 13 9.649 6.684 4.156 1.00 0.00 C ATOM 220 O LYS A 13 9.751 7.505 5.074 1.00 0.00 O ATOM 221 CB LYS A 13 7.478 6.637 2.907 1.00 0.00 C ATOM 222 CG LYS A 13 7.092 8.096 3.216 1.00 0.00 C ATOM 223 CD LYS A 13 6.965 8.960 1.953 1.00 0.00 C ATOM 224 CE LYS A 13 7.660 10.309 2.105 1.00 0.00 C ATOM 225 NZ LYS A 13 7.093 11.150 3.182 1.00 0.00 N ATOM 0 H LYS A 13 6.711 6.218 5.248 1.00 0.00 H new ATOM 0 HA LYS A 13 8.561 4.925 3.595 1.00 0.00 H new ATOM 0 HB2 LYS A 13 8.012 6.618 1.957 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.562 6.062 2.769 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.145 8.110 3.756 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.842 8.533 3.875 1.00 0.00 H new ATOM 0 HD2 LYS A 13 7.394 8.426 1.105 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.910 9.120 1.729 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.718 10.142 2.305 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.595 10.850 1.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.612 12.050 3.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.090 11.339 2.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.178 10.653 4.092 1.00 0.00 H new ATOM 239 N VAL A 14 10.597 6.508 3.249 1.00 0.00 N ATOM 240 CA VAL A 14 11.722 7.418 3.093 1.00 0.00 C ATOM 241 C VAL A 14 11.176 8.702 2.442 1.00 0.00 C ATOM 242 O VAL A 14 10.366 8.625 1.514 1.00 0.00 O ATOM 243 CB VAL A 14 12.810 6.721 2.245 1.00 0.00 C ATOM 244 CG1 VAL A 14 14.112 7.522 2.239 1.00 0.00 C ATOM 245 CG2 VAL A 14 13.146 5.315 2.765 1.00 0.00 C ATOM 0 H VAL A 14 10.608 5.725 2.596 1.00 0.00 H new ATOM 0 HA VAL A 14 12.187 7.684 4.042 1.00 0.00 H new ATOM 0 HB VAL A 14 12.393 6.653 1.240 1.00 0.00 H new ATOM 0 HG11 VAL A 14 14.855 7.003 1.634 1.00 0.00 H new ATOM 0 HG12 VAL A 14 13.929 8.511 1.820 1.00 0.00 H new ATOM 0 HG13 VAL A 14 14.482 7.623 3.259 1.00 0.00 H new ATOM 0 HG21 VAL A 14 13.915 4.868 2.135 1.00 0.00 H new ATOM 0 HG22 VAL A 14 13.511 5.384 3.790 1.00 0.00 H new ATOM 0 HG23 VAL A 14 12.251 4.694 2.740 1.00 0.00 H new ATOM 255 N PRO A 15 11.560 9.900 2.912 1.00 0.00 N ATOM 256 CA PRO A 15 11.231 11.142 2.228 1.00 0.00 C ATOM 257 C PRO A 15 12.030 11.228 0.934 1.00 0.00 C ATOM 258 O PRO A 15 13.040 10.539 0.796 1.00 0.00 O ATOM 259 CB PRO A 15 11.618 12.255 3.198 1.00 0.00 C ATOM 260 CG PRO A 15 12.792 11.644 3.959 1.00 0.00 C ATOM 261 CD PRO A 15 12.501 10.151 3.987 1.00 0.00 C ATOM 0 HA PRO A 15 10.177 11.213 1.959 1.00 0.00 H new ATOM 0 HB2 PRO A 15 11.905 13.167 2.674 1.00 0.00 H new ATOM 0 HB3 PRO A 15 10.795 12.516 3.864 1.00 0.00 H new ATOM 0 HG2 PRO A 15 13.739 11.853 3.461 1.00 0.00 H new ATOM 0 HG3 PRO A 15 12.865 12.052 4.967 1.00 0.00 H new ATOM 0 HD2 PRO A 15 13.415 9.574 3.846 1.00 0.00 H new ATOM 0 HD3 PRO A 15 12.081 9.854 4.948 1.00 0.00 H new ATOM 269 N ASP A 16 11.633 12.114 0.020 1.00 0.00 N ATOM 270 CA ASP A 16 12.349 12.332 -1.244 1.00 0.00 C ATOM 271 C ASP A 16 12.350 11.072 -2.137 1.00 0.00 C ATOM 272 O ASP A 16 13.136 10.949 -3.082 1.00 0.00 O ATOM 273 CB ASP A 16 13.738 12.923 -0.935 1.00 0.00 C ATOM 274 CG ASP A 16 14.536 13.313 -2.172 1.00 0.00 C ATOM 275 OD1 ASP A 16 14.129 14.262 -2.882 1.00 0.00 O ATOM 276 OD2 ASP A 16 15.597 12.682 -2.389 1.00 0.00 O ATOM 0 H ASP A 16 10.807 12.702 0.132 1.00 0.00 H new ATOM 0 HA ASP A 16 11.824 13.067 -1.855 1.00 0.00 H new ATOM 0 HB2 ASP A 16 13.615 13.802 -0.303 1.00 0.00 H new ATOM 0 HB3 ASP A 16 14.311 12.195 -0.360 1.00 0.00 H new ATOM 281 N THR A 17 11.437 10.133 -1.863 1.00 0.00 N ATOM 282 CA THR A 17 11.173 8.948 -2.663 1.00 0.00 C ATOM 283 C THR A 17 9.664 8.840 -2.897 1.00 0.00 C ATOM 284 O THR A 17 8.862 9.524 -2.254 1.00 0.00 O ATOM 285 CB THR A 17 11.734 7.674 -2.000 1.00 0.00 C ATOM 286 OG1 THR A 17 10.970 7.284 -0.874 1.00 0.00 O ATOM 287 CG2 THR A 17 13.206 7.789 -1.583 1.00 0.00 C ATOM 0 H THR A 17 10.839 10.188 -1.039 1.00 0.00 H new ATOM 0 HA THR A 17 11.683 9.043 -3.622 1.00 0.00 H new ATOM 0 HB THR A 17 11.666 6.912 -2.776 1.00 0.00 H new ATOM 0 HG1 THR A 17 10.943 8.019 -0.227 1.00 0.00 H new ATOM 0 HG21 THR A 17 13.528 6.854 -1.124 1.00 0.00 H new ATOM 0 HG22 THR A 17 13.818 7.992 -2.462 1.00 0.00 H new ATOM 0 HG23 THR A 17 13.319 8.602 -0.866 1.00 0.00 H new ATOM 295 N ASP A 18 9.283 7.935 -3.791 1.00 0.00 N ATOM 296 CA ASP A 18 7.929 7.785 -4.322 1.00 0.00 C ATOM 297 C ASP A 18 7.060 6.904 -3.406 1.00 0.00 C ATOM 298 O ASP A 18 5.920 6.575 -3.738 1.00 0.00 O ATOM 299 CB ASP A 18 8.016 7.180 -5.731 1.00 0.00 C ATOM 300 CG ASP A 18 9.073 7.849 -6.611 1.00 0.00 C ATOM 301 OD1 ASP A 18 9.109 9.094 -6.714 1.00 0.00 O ATOM 302 OD2 ASP A 18 9.984 7.117 -7.062 1.00 0.00 O ATOM 0 H ASP A 18 9.935 7.256 -4.184 1.00 0.00 H new ATOM 0 HA ASP A 18 7.454 8.765 -4.368 1.00 0.00 H new ATOM 0 HB2 ASP A 18 8.241 6.117 -5.649 1.00 0.00 H new ATOM 0 HB3 ASP A 18 7.043 7.264 -6.216 1.00 0.00 H new ATOM 307 N GLU A 19 7.607 6.482 -2.263 1.00 0.00 N ATOM 308 CA GLU A 19 6.958 5.660 -1.247 1.00 0.00 C ATOM 309 C GLU A 19 5.865 6.473 -0.523 1.00 0.00 C ATOM 310 O GLU A 19 5.858 7.704 -0.593 1.00 0.00 O ATOM 311 CB GLU A 19 8.031 5.235 -0.233 1.00 0.00 C ATOM 312 CG GLU A 19 9.122 4.247 -0.683 1.00 0.00 C ATOM 313 CD GLU A 19 10.040 3.839 0.492 1.00 0.00 C ATOM 314 OE1 GLU A 19 9.819 4.261 1.658 1.00 0.00 O ATOM 315 OE2 GLU A 19 10.923 2.968 0.328 1.00 0.00 O ATOM 0 H GLU A 19 8.567 6.719 -2.011 1.00 0.00 H new ATOM 0 HA GLU A 19 6.493 4.790 -1.710 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.528 6.138 0.120 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.521 4.796 0.624 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.656 3.358 -1.107 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.721 4.700 -1.473 1.00 0.00 H new ATOM 322 N ILE A 20 4.988 5.824 0.252 1.00 0.00 N ATOM 323 CA ILE A 20 3.981 6.481 1.100 1.00 0.00 C ATOM 324 C ILE A 20 3.864 5.748 2.441 1.00 0.00 C ATOM 325 O ILE A 20 3.759 4.522 2.447 1.00 0.00 O ATOM 326 CB ILE A 20 2.616 6.568 0.376 1.00 0.00 C ATOM 327 CG1 ILE A 20 2.215 5.248 -0.325 1.00 0.00 C ATOM 328 CG2 ILE A 20 2.625 7.744 -0.614 1.00 0.00 C ATOM 329 CD1 ILE A 20 0.755 5.225 -0.775 1.00 0.00 C ATOM 0 H ILE A 20 4.956 4.806 0.310 1.00 0.00 H new ATOM 0 HA ILE A 20 4.303 7.503 1.299 1.00 0.00 H new ATOM 0 HB ILE A 20 1.855 6.742 1.137 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.858 5.094 -1.192 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.392 4.415 0.355 1.00 0.00 H new ATOM 0 HG21 ILE A 20 1.662 7.800 -1.121 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.806 8.673 -0.074 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.414 7.593 -1.351 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.538 4.273 -1.259 1.00 0.00 H new ATOM 0 HD12 ILE A 20 0.105 5.348 0.091 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.578 6.038 -1.479 1.00 0.00 H new ATOM 341 N SER A 21 3.938 6.461 3.576 1.00 0.00 N ATOM 342 CA SER A 21 3.784 5.866 4.907 1.00 0.00 C ATOM 343 C SER A 21 2.369 5.295 5.069 1.00 0.00 C ATOM 344 O SER A 21 1.448 5.691 4.353 1.00 0.00 O ATOM 345 CB SER A 21 4.033 6.909 6.010 1.00 0.00 C ATOM 346 OG SER A 21 5.364 7.400 6.011 1.00 0.00 O ATOM 0 H SER A 21 4.107 7.467 3.593 1.00 0.00 H new ATOM 0 HA SER A 21 4.519 5.067 5.003 1.00 0.00 H new ATOM 0 HB2 SER A 21 3.343 7.742 5.878 1.00 0.00 H new ATOM 0 HB3 SER A 21 3.814 6.464 6.981 1.00 0.00 H new ATOM 0 HG SER A 21 5.469 8.060 6.728 1.00 0.00 H new ATOM 352 N PHE A 22 2.178 4.391 6.033 1.00 0.00 N ATOM 353 CA PHE A 22 0.864 3.846 6.366 1.00 0.00 C ATOM 354 C PHE A 22 0.881 3.217 7.752 1.00 0.00 C ATOM 355 O PHE A 22 1.932 3.096 8.388 1.00 0.00 O ATOM 356 CB PHE A 22 0.443 2.806 5.321 1.00 0.00 C ATOM 357 CG PHE A 22 1.420 1.662 5.104 1.00 0.00 C ATOM 358 CD1 PHE A 22 1.292 0.460 5.827 1.00 0.00 C ATOM 359 CD2 PHE A 22 2.393 1.766 4.092 1.00 0.00 C ATOM 360 CE1 PHE A 22 2.124 -0.634 5.523 1.00 0.00 C ATOM 361 CE2 PHE A 22 3.204 0.668 3.774 1.00 0.00 C ATOM 362 CZ PHE A 22 3.073 -0.531 4.490 1.00 0.00 C ATOM 0 H PHE A 22 2.935 4.016 6.605 1.00 0.00 H new ATOM 0 HA PHE A 22 0.142 4.662 6.365 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -0.519 2.388 5.618 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.289 3.315 4.369 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.556 0.378 6.614 1.00 0.00 H new ATOM 0 HD2 PHE A 22 2.515 2.697 3.558 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.034 -1.553 6.083 1.00 0.00 H new ATOM 0 HE2 PHE A 22 3.930 0.745 2.978 1.00 0.00 H new ATOM 0 HZ PHE A 22 3.701 -1.376 4.248 1.00 0.00 H new ATOM 372 N LEU A 23 -0.295 2.806 8.218 1.00 0.00 N ATOM 373 CA LEU A 23 -0.524 2.262 9.547 1.00 0.00 C ATOM 374 C LEU A 23 -1.193 0.895 9.437 1.00 0.00 C ATOM 375 O LEU A 23 -1.796 0.554 8.417 1.00 0.00 O ATOM 376 CB LEU A 23 -1.381 3.258 10.339 1.00 0.00 C ATOM 377 CG LEU A 23 -0.580 4.512 10.749 1.00 0.00 C ATOM 378 CD1 LEU A 23 -1.510 5.726 10.785 1.00 0.00 C ATOM 379 CD2 LEU A 23 0.121 4.302 12.097 1.00 0.00 C ATOM 0 H LEU A 23 -1.145 2.846 7.656 1.00 0.00 H new ATOM 0 HA LEU A 23 0.419 2.119 10.075 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.239 3.557 9.737 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.772 2.770 11.232 1.00 0.00 H new ATOM 0 HG LEU A 23 0.199 4.693 10.008 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.943 6.610 11.075 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.944 5.881 9.797 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.307 5.553 11.509 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.678 5.201 12.361 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.624 4.097 12.866 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.808 3.459 12.023 1.00 0.00 H new ATOM 391 N LYS A 24 -1.089 0.099 10.506 1.00 0.00 N ATOM 392 CA LYS A 24 -1.772 -1.183 10.621 1.00 0.00 C ATOM 393 C LYS A 24 -3.270 -0.938 10.482 1.00 0.00 C ATOM 394 O LYS A 24 -3.844 -0.222 11.302 1.00 0.00 O ATOM 395 CB LYS A 24 -1.418 -1.821 11.973 1.00 0.00 C ATOM 396 CG LYS A 24 -2.170 -3.134 12.251 1.00 0.00 C ATOM 397 CD LYS A 24 -1.571 -3.837 13.480 1.00 0.00 C ATOM 398 CE LYS A 24 -1.931 -5.321 13.615 1.00 0.00 C ATOM 399 NZ LYS A 24 -3.378 -5.571 13.738 1.00 0.00 N ATOM 0 H LYS A 24 -0.522 0.333 11.321 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.459 -1.873 9.837 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.345 -2.013 12.005 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.639 -1.110 12.769 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.227 -2.928 12.420 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.108 -3.789 11.382 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.486 -3.744 13.441 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.903 -3.315 14.377 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.551 -5.858 12.746 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.425 -5.730 14.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.547 -6.593 13.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.744 -5.086 14.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.866 -5.210 12.893 1.00 0.00 H new ATOM 413 N GLY A 25 -3.898 -1.556 9.486 1.00 0.00 N ATOM 414 CA GLY A 25 -5.325 -1.456 9.252 1.00 0.00 C ATOM 415 C GLY A 25 -5.687 -0.418 8.196 1.00 0.00 C ATOM 416 O GLY A 25 -6.883 -0.245 7.949 1.00 0.00 O ATOM 0 H GLY A 25 -3.416 -2.149 8.810 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.705 -2.429 8.941 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.824 -1.203 10.188 1.00 0.00 H new ATOM 420 N ASP A 26 -4.735 0.266 7.550 1.00 0.00 N ATOM 421 CA ASP A 26 -5.052 1.078 6.368 1.00 0.00 C ATOM 422 C ASP A 26 -5.409 0.120 5.212 1.00 0.00 C ATOM 423 O ASP A 26 -5.022 -1.047 5.236 1.00 0.00 O ATOM 424 CB ASP A 26 -3.873 1.985 5.962 1.00 0.00 C ATOM 425 CG ASP A 26 -3.525 3.150 6.883 1.00 0.00 C ATOM 426 OD1 ASP A 26 -4.248 3.386 7.876 1.00 0.00 O ATOM 427 OD2 ASP A 26 -2.540 3.853 6.555 1.00 0.00 O ATOM 0 H ASP A 26 -3.752 0.275 7.821 1.00 0.00 H new ATOM 0 HA ASP A 26 -5.891 1.734 6.600 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -2.986 1.359 5.864 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -4.087 2.391 4.974 1.00 0.00 H new ATOM 432 N MET A 27 -6.135 0.567 4.186 1.00 0.00 N ATOM 433 CA MET A 27 -6.489 -0.187 2.997 1.00 0.00 C ATOM 434 C MET A 27 -5.948 0.488 1.741 1.00 0.00 C ATOM 435 O MET A 27 -6.162 1.688 1.518 1.00 0.00 O ATOM 436 CB MET A 27 -7.998 -0.262 2.892 1.00 0.00 C ATOM 437 CG MET A 27 -8.365 -1.355 1.915 1.00 0.00 C ATOM 438 SD MET A 27 -10.109 -1.397 1.467 1.00 0.00 S ATOM 439 CE MET A 27 -10.116 -3.034 0.740 1.00 0.00 C ATOM 0 H MET A 27 -6.508 1.516 4.168 1.00 0.00 H new ATOM 0 HA MET A 27 -6.055 -1.183 3.078 1.00 0.00 H new ATOM 0 HB2 MET A 27 -8.434 -0.467 3.869 1.00 0.00 H new ATOM 0 HB3 MET A 27 -8.401 0.694 2.558 1.00 0.00 H new ATOM 0 HG2 MET A 27 -7.772 -1.230 1.009 1.00 0.00 H new ATOM 0 HG3 MET A 27 -8.090 -2.318 2.345 1.00 0.00 H new ATOM 0 HE1 MET A 27 -10.962 -3.126 0.059 1.00 0.00 H new ATOM 0 HE2 MET A 27 -9.189 -3.192 0.189 1.00 0.00 H new ATOM 0 HE3 MET A 27 -10.202 -3.782 1.528 1.00 0.00 H new ATOM 449 N PHE A 28 -5.353 -0.328 0.879 1.00 0.00 N ATOM 450 CA PHE A 28 -4.820 0.081 -0.404 1.00 0.00 C ATOM 451 C PHE A 28 -5.662 -0.533 -1.509 1.00 0.00 C ATOM 452 O PHE A 28 -6.400 -1.506 -1.320 1.00 0.00 O ATOM 453 CB PHE A 28 -3.363 -0.383 -0.542 1.00 0.00 C ATOM 454 CG PHE A 28 -2.408 0.206 0.457 1.00 0.00 C ATOM 455 CD1 PHE A 28 -1.974 1.532 0.281 1.00 0.00 C ATOM 456 CD2 PHE A 28 -1.934 -0.568 1.535 1.00 0.00 C ATOM 457 CE1 PHE A 28 -1.055 2.087 1.181 1.00 0.00 C ATOM 458 CE2 PHE A 28 -1.002 -0.017 2.428 1.00 0.00 C ATOM 459 CZ PHE A 28 -0.566 1.304 2.237 1.00 0.00 C ATOM 0 H PHE A 28 -5.227 -1.323 1.065 1.00 0.00 H new ATOM 0 HA PHE A 28 -4.849 1.168 -0.479 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.334 -1.469 -0.452 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.013 -0.137 -1.544 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -2.348 2.120 -0.544 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -2.286 -1.580 1.673 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.726 3.109 1.063 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.624 -0.603 3.253 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.160 1.725 2.916 1.00 0.00 H new ATOM 469 N ILE A 29 -5.478 -0.008 -2.708 1.00 0.00 N ATOM 470 CA ILE A 29 -5.898 -0.640 -3.942 1.00 0.00 C ATOM 471 C ILE A 29 -4.612 -0.853 -4.729 1.00 0.00 C ATOM 472 O ILE A 29 -3.751 0.025 -4.706 1.00 0.00 O ATOM 473 CB ILE A 29 -6.955 0.228 -4.648 1.00 0.00 C ATOM 474 CG1 ILE A 29 -6.330 1.470 -5.309 1.00 0.00 C ATOM 475 CG2 ILE A 29 -8.065 0.627 -3.649 1.00 0.00 C ATOM 476 CD1 ILE A 29 -7.366 2.331 -6.006 1.00 0.00 C ATOM 0 H ILE A 29 -5.021 0.892 -2.851 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.397 -1.599 -3.804 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.398 -0.365 -5.448 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.817 2.063 -4.552 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.577 1.155 -6.031 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.808 1.241 -4.157 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -8.542 -0.271 -3.258 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.628 1.193 -2.826 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.877 3.195 -6.457 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -7.861 1.748 -6.782 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -8.105 2.670 -5.280 1.00 0.00 H new ATOM 488 N VAL A 30 -4.457 -1.999 -5.380 1.00 0.00 N ATOM 489 CA VAL A 30 -3.358 -2.206 -6.314 1.00 0.00 C ATOM 490 C VAL A 30 -3.692 -1.405 -7.577 1.00 0.00 C ATOM 491 O VAL A 30 -4.864 -1.300 -7.961 1.00 0.00 O ATOM 492 CB VAL A 30 -3.126 -3.720 -6.517 1.00 0.00 C ATOM 493 CG1 VAL A 30 -4.413 -4.483 -6.780 1.00 0.00 C ATOM 494 CG2 VAL A 30 -2.048 -4.082 -7.540 1.00 0.00 C ATOM 0 H VAL A 30 -5.080 -2.800 -5.278 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.400 -1.839 -5.947 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.730 -4.046 -5.555 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.188 -5.541 -6.915 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.088 -4.361 -5.933 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.888 -4.096 -7.681 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.962 -5.166 -7.609 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.320 -3.677 -8.514 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.093 -3.661 -7.226 1.00 0.00 H new ATOM 504 N HIS A 31 -2.673 -0.789 -8.176 1.00 0.00 N ATOM 505 CA HIS A 31 -2.776 -0.020 -9.410 1.00 0.00 C ATOM 506 C HIS A 31 -1.648 -0.334 -10.394 1.00 0.00 C ATOM 507 O HIS A 31 -1.788 -0.052 -11.587 1.00 0.00 O ATOM 508 CB HIS A 31 -2.768 1.481 -9.081 1.00 0.00 C ATOM 509 CG HIS A 31 -4.082 2.143 -9.379 1.00 0.00 C ATOM 510 ND1 HIS A 31 -4.687 2.253 -10.613 1.00 0.00 N ATOM 511 CD2 HIS A 31 -4.860 2.789 -8.467 1.00 0.00 C ATOM 512 CE1 HIS A 31 -5.840 2.922 -10.438 1.00 0.00 C ATOM 513 NE2 HIS A 31 -5.997 3.245 -9.145 1.00 0.00 N ATOM 0 H HIS A 31 -1.724 -0.814 -7.802 1.00 0.00 H new ATOM 0 HA HIS A 31 -3.713 -0.301 -9.891 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -2.527 1.617 -8.027 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -1.980 1.971 -9.653 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -4.641 2.924 -7.418 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -6.539 3.165 -11.225 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -6.794 3.731 -8.734 1.00 0.00 H new ATOM 521 N ASN A 32 -0.523 -0.877 -9.930 1.00 0.00 N ATOM 522 CA ASN A 32 0.531 -1.422 -10.773 1.00 0.00 C ATOM 523 C ASN A 32 1.244 -2.541 -10.046 1.00 0.00 C ATOM 524 O ASN A 32 1.229 -2.608 -8.816 1.00 0.00 O ATOM 525 CB ASN A 32 1.556 -0.355 -11.188 1.00 0.00 C ATOM 526 CG ASN A 32 2.466 -0.821 -12.311 1.00 0.00 C ATOM 527 OD1 ASN A 32 2.062 -1.593 -13.175 1.00 0.00 O ATOM 528 ND2 ASN A 32 3.718 -0.411 -12.274 1.00 0.00 N ATOM 0 H ASN A 32 -0.318 -0.950 -8.933 1.00 0.00 H new ATOM 0 HA ASN A 32 0.056 -1.800 -11.679 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.029 0.546 -11.503 1.00 0.00 H new ATOM 0 HB3 ASN A 32 2.162 -0.084 -10.324 1.00 0.00 H new ATOM 0 HD21 ASN A 32 4.382 -0.736 -12.977 1.00 0.00 H new ATOM 0 HD22 ASN A 32 4.023 0.231 -11.543 1.00 0.00 H new ATOM 535 N GLU A 33 1.920 -3.354 -10.835 1.00 0.00 N ATOM 536 CA GLU A 33 2.634 -4.554 -10.454 1.00 0.00 C ATOM 537 C GLU A 33 4.084 -4.313 -10.867 1.00 0.00 C ATOM 538 O GLU A 33 4.369 -4.033 -12.037 1.00 0.00 O ATOM 539 CB GLU A 33 1.973 -5.765 -11.141 1.00 0.00 C ATOM 540 CG GLU A 33 0.662 -6.155 -10.427 1.00 0.00 C ATOM 541 CD GLU A 33 -0.344 -6.915 -11.308 1.00 0.00 C ATOM 542 OE1 GLU A 33 0.057 -7.710 -12.184 1.00 0.00 O ATOM 543 OE2 GLU A 33 -1.575 -6.688 -11.157 1.00 0.00 O ATOM 0 H GLU A 33 1.988 -3.177 -11.837 1.00 0.00 H new ATOM 0 HA GLU A 33 2.604 -4.773 -9.387 1.00 0.00 H new ATOM 0 HB2 GLU A 33 1.767 -5.528 -12.185 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.660 -6.611 -11.136 1.00 0.00 H new ATOM 0 HG2 GLU A 33 0.904 -6.771 -9.561 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.185 -5.250 -10.051 1.00 0.00 H new ATOM 550 N LEU A 34 4.977 -4.312 -9.878 1.00 0.00 N ATOM 551 CA LEU A 34 6.429 -4.212 -10.060 1.00 0.00 C ATOM 552 C LEU A 34 7.045 -5.576 -9.702 1.00 0.00 C ATOM 553 O LEU A 34 6.311 -6.569 -9.611 1.00 0.00 O ATOM 554 CB LEU A 34 6.994 -3.026 -9.254 1.00 0.00 C ATOM 555 CG LEU A 34 6.347 -1.669 -9.606 1.00 0.00 C ATOM 556 CD1 LEU A 34 6.289 -0.750 -8.389 1.00 0.00 C ATOM 557 CD2 LEU A 34 7.108 -0.960 -10.724 1.00 0.00 C ATOM 0 H LEU A 34 4.704 -4.383 -8.898 1.00 0.00 H new ATOM 0 HA LEU A 34 6.691 -3.994 -11.095 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.852 -3.221 -8.191 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.068 -2.961 -9.426 1.00 0.00 H new ATOM 0 HG LEU A 34 5.334 -1.885 -9.944 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.828 0.197 -8.670 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.698 -1.222 -7.604 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.299 -0.567 -8.022 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.625 -0.008 -10.946 1.00 0.00 H new ATOM 0 HD22 LEU A 34 8.136 -0.780 -10.408 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.107 -1.584 -11.617 1.00 0.00 H new ATOM 569 N GLU A 35 8.374 -5.678 -9.575 1.00 0.00 N ATOM 570 CA GLU A 35 9.067 -6.975 -9.573 1.00 0.00 C ATOM 571 C GLU A 35 10.132 -7.107 -8.485 1.00 0.00 C ATOM 572 O GLU A 35 10.899 -8.066 -8.464 1.00 0.00 O ATOM 573 CB GLU A 35 9.716 -7.210 -10.945 1.00 0.00 C ATOM 574 CG GLU A 35 8.753 -7.207 -12.141 1.00 0.00 C ATOM 575 CD GLU A 35 9.536 -7.324 -13.447 1.00 0.00 C ATOM 576 OE1 GLU A 35 10.225 -8.348 -13.644 1.00 0.00 O ATOM 577 OE2 GLU A 35 9.505 -6.371 -14.264 1.00 0.00 O ATOM 0 H GLU A 35 8.994 -4.875 -9.472 1.00 0.00 H new ATOM 0 HA GLU A 35 8.308 -7.727 -9.359 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.471 -6.441 -11.107 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.236 -8.168 -10.922 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.050 -8.036 -12.054 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.165 -6.289 -12.142 1.00 0.00 H new ATOM 584 N ASP A 36 10.111 -6.201 -7.520 1.00 0.00 N ATOM 585 CA ASP A 36 11.100 -6.069 -6.447 1.00 0.00 C ATOM 586 C ASP A 36 10.404 -5.964 -5.083 1.00 0.00 C ATOM 587 O ASP A 36 10.835 -5.217 -4.208 1.00 0.00 O ATOM 588 CB ASP A 36 12.057 -4.904 -6.762 1.00 0.00 C ATOM 589 CG ASP A 36 13.324 -4.847 -5.890 1.00 0.00 C ATOM 590 OD1 ASP A 36 13.886 -5.906 -5.519 1.00 0.00 O ATOM 591 OD2 ASP A 36 13.829 -3.718 -5.686 1.00 0.00 O ATOM 0 H ASP A 36 9.371 -5.502 -7.455 1.00 0.00 H new ATOM 0 HA ASP A 36 11.718 -6.965 -6.388 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.357 -4.973 -7.808 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.513 -3.966 -6.648 1.00 0.00 H new ATOM 596 N GLY A 37 9.271 -6.657 -4.916 1.00 0.00 N ATOM 597 CA GLY A 37 8.439 -6.631 -3.711 1.00 0.00 C ATOM 598 C GLY A 37 7.621 -5.343 -3.554 1.00 0.00 C ATOM 599 O GLY A 37 7.095 -5.081 -2.470 1.00 0.00 O ATOM 0 H GLY A 37 8.898 -7.270 -5.640 1.00 0.00 H new ATOM 0 HA2 GLY A 37 7.759 -7.483 -3.731 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.078 -6.754 -2.836 1.00 0.00 H new ATOM 603 N TRP A 38 7.518 -4.529 -4.609 1.00 0.00 N ATOM 604 CA TRP A 38 6.834 -3.239 -4.611 1.00 0.00 C ATOM 605 C TRP A 38 5.591 -3.301 -5.494 1.00 0.00 C ATOM 606 O TRP A 38 5.528 -4.087 -6.440 1.00 0.00 O ATOM 607 CB TRP A 38 7.799 -2.150 -5.109 1.00 0.00 C ATOM 608 CG TRP A 38 8.875 -1.791 -4.134 1.00 0.00 C ATOM 609 CD1 TRP A 38 10.153 -2.227 -4.141 1.00 0.00 C ATOM 610 CD2 TRP A 38 8.750 -0.966 -2.942 1.00 0.00 C ATOM 611 NE1 TRP A 38 10.805 -1.761 -3.021 1.00 0.00 N ATOM 612 CE2 TRP A 38 9.985 -0.982 -2.237 1.00 0.00 C ATOM 613 CE3 TRP A 38 7.699 -0.226 -2.376 1.00 0.00 C ATOM 614 CZ2 TRP A 38 10.161 -0.313 -1.018 1.00 0.00 C ATOM 615 CZ3 TRP A 38 7.854 0.456 -1.157 1.00 0.00 C ATOM 616 CH2 TRP A 38 9.085 0.409 -0.475 1.00 0.00 C ATOM 0 H TRP A 38 7.924 -4.761 -5.515 1.00 0.00 H new ATOM 0 HA TRP A 38 6.517 -2.996 -3.597 1.00 0.00 H new ATOM 0 HB2 TRP A 38 8.262 -2.487 -6.036 1.00 0.00 H new ATOM 0 HB3 TRP A 38 7.226 -1.254 -5.347 1.00 0.00 H new ATOM 0 HD1 TRP A 38 10.596 -2.846 -4.907 1.00 0.00 H new ATOM 0 HE1 TRP A 38 11.779 -1.968 -2.799 1.00 0.00 H new ATOM 0 HE3 TRP A 38 6.750 -0.180 -2.889 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 11.110 -0.352 -0.504 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 7.029 1.016 -0.743 1.00 0.00 H new ATOM 0 HH2 TRP A 38 9.202 0.928 0.465 1.00 0.00 H new ATOM 627 N MET A 39 4.622 -2.420 -5.234 1.00 0.00 N ATOM 628 CA MET A 39 3.434 -2.221 -6.062 1.00 0.00 C ATOM 629 C MET A 39 3.070 -0.739 -6.034 1.00 0.00 C ATOM 630 O MET A 39 3.229 -0.093 -4.994 1.00 0.00 O ATOM 631 CB MET A 39 2.263 -3.041 -5.498 1.00 0.00 C ATOM 632 CG MET A 39 2.500 -4.555 -5.582 1.00 0.00 C ATOM 633 SD MET A 39 1.331 -5.557 -4.640 1.00 0.00 S ATOM 634 CE MET A 39 1.809 -5.065 -2.957 1.00 0.00 C ATOM 0 H MET A 39 4.645 -1.809 -4.418 1.00 0.00 H new ATOM 0 HA MET A 39 3.635 -2.544 -7.083 1.00 0.00 H new ATOM 0 HB2 MET A 39 2.098 -2.761 -4.458 1.00 0.00 H new ATOM 0 HB3 MET A 39 1.354 -2.790 -6.044 1.00 0.00 H new ATOM 0 HG2 MET A 39 2.456 -4.858 -6.628 1.00 0.00 H new ATOM 0 HG3 MET A 39 3.509 -4.771 -5.230 1.00 0.00 H new ATOM 0 HE1 MET A 39 2.017 -5.955 -2.363 1.00 0.00 H new ATOM 0 HE2 MET A 39 2.701 -4.441 -3.000 1.00 0.00 H new ATOM 0 HE3 MET A 39 0.996 -4.504 -2.497 1.00 0.00 H new ATOM 644 N TRP A 40 2.544 -0.200 -7.143 1.00 0.00 N ATOM 645 CA TRP A 40 1.865 1.100 -7.085 1.00 0.00 C ATOM 646 C TRP A 40 0.465 0.904 -6.526 1.00 0.00 C ATOM 647 O TRP A 40 -0.225 -0.054 -6.900 1.00 0.00 O ATOM 648 CB TRP A 40 1.737 1.790 -8.447 1.00 0.00 C ATOM 649 CG TRP A 40 1.394 3.246 -8.351 1.00 0.00 C ATOM 650 CD1 TRP A 40 0.160 3.802 -8.308 1.00 0.00 C ATOM 651 CD2 TRP A 40 2.320 4.347 -8.177 1.00 0.00 C ATOM 652 NE1 TRP A 40 0.258 5.172 -8.157 1.00 0.00 N ATOM 653 CE2 TRP A 40 1.583 5.560 -8.037 1.00 0.00 C ATOM 654 CE3 TRP A 40 3.722 4.405 -8.084 1.00 0.00 C ATOM 655 CZ2 TRP A 40 2.234 6.782 -7.801 1.00 0.00 C ATOM 656 CZ3 TRP A 40 4.381 5.619 -7.840 1.00 0.00 C ATOM 657 CH2 TRP A 40 3.638 6.800 -7.688 1.00 0.00 C ATOM 0 H TRP A 40 2.574 -0.631 -8.067 1.00 0.00 H new ATOM 0 HA TRP A 40 2.479 1.739 -6.450 1.00 0.00 H new ATOM 0 HB2 TRP A 40 2.676 1.681 -8.990 1.00 0.00 H new ATOM 0 HB3 TRP A 40 0.970 1.282 -9.032 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -0.767 3.253 -8.381 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -0.537 5.811 -8.137 1.00 0.00 H new ATOM 0 HE3 TRP A 40 4.300 3.501 -8.202 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 1.666 7.696 -7.707 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 5.458 5.645 -7.769 1.00 0.00 H new ATOM 0 HH2 TRP A 40 4.147 7.730 -7.483 1.00 0.00 H new ATOM 668 N VAL A 41 0.015 1.846 -5.703 1.00 0.00 N ATOM 669 CA VAL A 41 -1.258 1.769 -5.011 1.00 0.00 C ATOM 670 C VAL A 41 -1.894 3.155 -4.868 1.00 0.00 C ATOM 671 O VAL A 41 -1.383 4.171 -5.349 1.00 0.00 O ATOM 672 CB VAL A 41 -1.045 1.088 -3.635 1.00 0.00 C ATOM 673 CG1 VAL A 41 -0.577 -0.372 -3.727 1.00 0.00 C ATOM 674 CG2 VAL A 41 -0.069 1.875 -2.756 1.00 0.00 C ATOM 0 H VAL A 41 0.537 2.698 -5.498 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.954 1.167 -5.596 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.034 1.085 -3.176 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.451 -0.778 -2.723 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.321 -0.959 -4.265 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.374 -0.417 -4.258 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.053 1.365 -1.801 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.897 1.944 -3.256 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.461 2.877 -2.584 1.00 0.00 H new ATOM 684 N THR A 42 -3.022 3.207 -4.166 1.00 0.00 N ATOM 685 CA THR A 42 -3.553 4.424 -3.580 1.00 0.00 C ATOM 686 C THR A 42 -3.994 4.067 -2.166 1.00 0.00 C ATOM 687 O THR A 42 -4.734 3.092 -1.982 1.00 0.00 O ATOM 688 CB THR A 42 -4.696 4.973 -4.449 1.00 0.00 C ATOM 689 OG1 THR A 42 -4.298 4.966 -5.808 1.00 0.00 O ATOM 690 CG2 THR A 42 -5.089 6.386 -4.012 1.00 0.00 C ATOM 0 H THR A 42 -3.601 2.386 -3.988 1.00 0.00 H new ATOM 0 HA THR A 42 -2.810 5.221 -3.534 1.00 0.00 H new ATOM 0 HB THR A 42 -5.570 4.334 -4.325 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.026 5.314 -6.364 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.899 6.750 -4.643 1.00 0.00 H new ATOM 0 HG22 THR A 42 -5.419 6.367 -2.973 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.229 7.049 -4.108 1.00 0.00 H new ATOM 698 N ASN A 43 -3.490 4.796 -1.168 1.00 0.00 N ATOM 699 CA ASN A 43 -3.992 4.748 0.192 1.00 0.00 C ATOM 700 C ASN A 43 -5.282 5.555 0.219 1.00 0.00 C ATOM 701 O ASN A 43 -5.252 6.790 0.223 1.00 0.00 O ATOM 702 CB ASN A 43 -2.980 5.318 1.200 1.00 0.00 C ATOM 703 CG ASN A 43 -3.367 4.930 2.633 1.00 0.00 C ATOM 704 OD1 ASN A 43 -4.523 4.618 2.916 1.00 0.00 O ATOM 705 ND2 ASN A 43 -2.421 4.869 3.554 1.00 0.00 N ATOM 0 H ASN A 43 -2.711 5.443 -1.292 1.00 0.00 H new ATOM 0 HA ASN A 43 -4.165 3.713 0.485 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -1.982 4.943 0.973 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.941 6.404 1.110 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -2.649 4.563 4.500 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -1.463 5.128 3.319 1.00 0.00 H new ATOM 712 N LEU A 44 -6.429 4.871 0.229 1.00 0.00 N ATOM 713 CA LEU A 44 -7.729 5.546 0.202 1.00 0.00 C ATOM 714 C LEU A 44 -7.941 6.460 1.414 1.00 0.00 C ATOM 715 O LEU A 44 -8.827 7.306 1.395 1.00 0.00 O ATOM 716 CB LEU A 44 -8.888 4.541 0.114 1.00 0.00 C ATOM 717 CG LEU A 44 -8.861 3.610 -1.111 1.00 0.00 C ATOM 718 CD1 LEU A 44 -10.169 2.815 -1.157 1.00 0.00 C ATOM 719 CD2 LEU A 44 -8.687 4.348 -2.441 1.00 0.00 C ATOM 0 H LEU A 44 -6.484 3.853 0.256 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.723 6.165 -0.695 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.885 3.928 1.015 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -9.827 5.094 0.108 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.994 2.960 -0.993 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -10.161 2.151 -2.022 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -10.268 2.224 -0.247 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -11.011 3.503 -1.236 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.677 3.627 -3.259 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.513 5.045 -2.581 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.746 4.898 -2.431 1.00 0.00 H new ATOM 731 N ARG A 45 -7.119 6.333 2.460 1.00 0.00 N ATOM 732 CA ARG A 45 -7.205 7.159 3.654 1.00 0.00 C ATOM 733 C ARG A 45 -6.987 8.647 3.360 1.00 0.00 C ATOM 734 O ARG A 45 -7.343 9.450 4.225 1.00 0.00 O ATOM 735 CB ARG A 45 -6.189 6.639 4.685 1.00 0.00 C ATOM 736 CG ARG A 45 -6.590 6.926 6.133 1.00 0.00 C ATOM 737 CD ARG A 45 -5.531 6.421 7.116 1.00 0.00 C ATOM 738 NE ARG A 45 -4.289 7.218 7.054 1.00 0.00 N ATOM 739 CZ ARG A 45 -3.622 7.738 8.091 1.00 0.00 C ATOM 740 NH1 ARG A 45 -4.051 7.547 9.337 1.00 0.00 N ATOM 741 NH2 ARG A 45 -2.529 8.457 7.871 1.00 0.00 N ATOM 0 H ARG A 45 -6.368 5.643 2.495 1.00 0.00 H new ATOM 0 HA ARG A 45 -8.215 7.083 4.055 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -6.070 5.563 4.555 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -5.218 7.093 4.488 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -6.731 7.998 6.267 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -7.546 6.449 6.349 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -5.932 6.454 8.129 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -5.303 5.378 6.898 1.00 0.00 H new ATOM 0 HE ARG A 45 -3.900 7.389 6.127 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -4.895 7.000 9.508 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -3.536 7.947 10.121 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -2.203 8.610 6.917 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -2.015 8.857 8.656 1.00 0.00 H new ATOM 755 N THR A 46 -6.383 9.019 2.226 1.00 0.00 N ATOM 756 CA THR A 46 -6.113 10.414 1.877 1.00 0.00 C ATOM 757 C THR A 46 -5.767 10.605 0.384 1.00 0.00 C ATOM 758 O THR A 46 -5.286 11.677 0.017 1.00 0.00 O ATOM 759 CB THR A 46 -5.024 10.965 2.832 1.00 0.00 C ATOM 760 OG1 THR A 46 -4.674 12.307 2.567 1.00 0.00 O ATOM 761 CG2 THR A 46 -3.743 10.138 2.815 1.00 0.00 C ATOM 0 H THR A 46 -6.066 8.354 1.521 1.00 0.00 H new ATOM 0 HA THR A 46 -7.024 10.996 2.014 1.00 0.00 H new ATOM 0 HB THR A 46 -5.489 10.902 3.816 1.00 0.00 H new ATOM 0 HG1 THR A 46 -4.795 12.494 1.613 1.00 0.00 H new ATOM 0 HG21 THR A 46 -3.019 10.574 3.504 1.00 0.00 H new ATOM 0 HG22 THR A 46 -3.966 9.116 3.122 1.00 0.00 H new ATOM 0 HG23 THR A 46 -3.327 10.132 1.807 1.00 0.00 H new ATOM 769 N ASP A 47 -5.952 9.603 -0.486 1.00 0.00 N ATOM 770 CA ASP A 47 -5.509 9.647 -1.891 1.00 0.00 C ATOM 771 C ASP A 47 -3.985 9.790 -2.023 1.00 0.00 C ATOM 772 O ASP A 47 -3.488 10.207 -3.069 1.00 0.00 O ATOM 773 CB ASP A 47 -6.254 10.728 -2.700 1.00 0.00 C ATOM 774 CG ASP A 47 -6.488 10.301 -4.155 1.00 0.00 C ATOM 775 OD1 ASP A 47 -7.565 9.701 -4.396 1.00 0.00 O ATOM 776 OD2 ASP A 47 -5.692 10.636 -5.064 1.00 0.00 O ATOM 0 H ASP A 47 -6.417 8.731 -0.235 1.00 0.00 H new ATOM 0 HA ASP A 47 -5.772 8.682 -2.324 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -7.213 10.939 -2.226 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.679 11.654 -2.682 1.00 0.00 H new ATOM 781 N GLU A 48 -3.228 9.445 -0.976 1.00 0.00 N ATOM 782 CA GLU A 48 -1.779 9.302 -1.055 1.00 0.00 C ATOM 783 C GLU A 48 -1.517 8.129 -1.992 1.00 0.00 C ATOM 784 O GLU A 48 -1.779 6.976 -1.647 1.00 0.00 O ATOM 785 CB GLU A 48 -1.149 9.097 0.338 1.00 0.00 C ATOM 786 CG GLU A 48 -0.785 10.455 0.962 1.00 0.00 C ATOM 787 CD GLU A 48 -0.352 10.423 2.436 1.00 0.00 C ATOM 788 OE1 GLU A 48 -0.516 9.411 3.162 1.00 0.00 O ATOM 789 OE2 GLU A 48 0.082 11.492 2.925 1.00 0.00 O ATOM 0 H GLU A 48 -3.609 9.257 -0.049 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.313 10.209 -1.441 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.846 8.566 0.986 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.257 8.476 0.254 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.021 10.898 0.376 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.646 11.117 0.871 1.00 0.00 H new ATOM 796 N GLN A 49 -1.098 8.431 -3.216 1.00 0.00 N ATOM 797 CA GLN A 49 -0.651 7.451 -4.183 1.00 0.00 C ATOM 798 C GLN A 49 0.858 7.339 -4.059 1.00 0.00 C ATOM 799 O GLN A 49 1.517 8.282 -3.616 1.00 0.00 O ATOM 800 CB GLN A 49 -1.013 7.924 -5.597 1.00 0.00 C ATOM 801 CG GLN A 49 -2.526 8.037 -5.816 1.00 0.00 C ATOM 802 CD GLN A 49 -2.875 8.783 -7.090 1.00 0.00 C ATOM 803 OE1 GLN A 49 -2.184 8.660 -8.100 1.00 0.00 O ATOM 804 NE2 GLN A 49 -3.957 9.541 -7.123 1.00 0.00 N ATOM 0 H GLN A 49 -1.061 9.388 -3.566 1.00 0.00 H new ATOM 0 HA GLN A 49 -1.126 6.487 -4.001 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.550 8.894 -5.780 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -0.596 7.229 -6.326 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.960 7.038 -5.854 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.976 8.548 -4.965 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.532 9.645 -6.287 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.217 10.022 -7.984 1.00 0.00 H new ATOM 813 N GLY A 50 1.410 6.207 -4.472 1.00 0.00 N ATOM 814 CA GLY A 50 2.819 5.944 -4.298 1.00 0.00 C ATOM 815 C GLY A 50 3.068 4.454 -4.240 1.00 0.00 C ATOM 816 O GLY A 50 2.208 3.639 -4.599 1.00 0.00 O ATOM 0 H GLY A 50 0.895 5.456 -4.932 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.383 6.383 -5.121 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.174 6.416 -3.382 1.00 0.00 H new ATOM 820 N LEU A 51 4.276 4.120 -3.805 1.00 0.00 N ATOM 821 CA LEU A 51 4.761 2.757 -3.692 1.00 0.00 C ATOM 822 C LEU A 51 4.591 2.264 -2.260 1.00 0.00 C ATOM 823 O LEU A 51 4.804 3.021 -1.306 1.00 0.00 O ATOM 824 CB LEU A 51 6.237 2.723 -4.118 1.00 0.00 C ATOM 825 CG LEU A 51 6.441 3.072 -5.601 1.00 0.00 C ATOM 826 CD1 LEU A 51 7.924 3.226 -5.913 1.00 0.00 C ATOM 827 CD2 LEU A 51 5.873 1.983 -6.514 1.00 0.00 C ATOM 0 H LEU A 51 4.964 4.814 -3.513 1.00 0.00 H new ATOM 0 HA LEU A 51 4.188 2.096 -4.343 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.803 3.424 -3.504 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.643 1.730 -3.925 1.00 0.00 H new ATOM 0 HG LEU A 51 5.915 4.009 -5.784 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.050 3.473 -6.967 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.344 4.024 -5.300 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.441 2.291 -5.695 1.00 0.00 H new ATOM 0 HD21 LEU A 51 6.034 2.261 -7.556 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.376 1.038 -6.309 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.804 1.873 -6.329 1.00 0.00 H new ATOM 839 N ILE A 52 4.258 0.980 -2.120 1.00 0.00 N ATOM 840 CA ILE A 52 4.253 0.246 -0.857 1.00 0.00 C ATOM 841 C ILE A 52 4.929 -1.103 -1.073 1.00 0.00 C ATOM 842 O ILE A 52 4.873 -1.661 -2.175 1.00 0.00 O ATOM 843 CB ILE A 52 2.828 0.043 -0.307 1.00 0.00 C ATOM 844 CG1 ILE A 52 1.947 -0.846 -1.210 1.00 0.00 C ATOM 845 CG2 ILE A 52 2.129 1.384 -0.051 1.00 0.00 C ATOM 846 CD1 ILE A 52 1.758 -2.261 -0.658 1.00 0.00 C ATOM 0 H ILE A 52 3.974 0.403 -2.912 1.00 0.00 H new ATOM 0 HA ILE A 52 4.798 0.832 -0.117 1.00 0.00 H new ATOM 0 HB ILE A 52 2.952 -0.482 0.640 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.971 -0.376 -1.331 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.397 -0.906 -2.201 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.126 1.204 0.336 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.701 1.959 0.677 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.062 1.943 -0.984 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.130 -2.836 -1.338 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.729 -2.747 -0.563 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.281 -2.209 0.321 1.00 0.00 H new ATOM 858 N VAL A 53 5.534 -1.620 -0.009 1.00 0.00 N ATOM 859 CA VAL A 53 6.128 -2.943 0.006 1.00 0.00 C ATOM 860 C VAL A 53 5.025 -3.946 0.348 1.00 0.00 C ATOM 861 O VAL A 53 4.211 -3.708 1.247 1.00 0.00 O ATOM 862 CB VAL A 53 7.335 -2.954 0.971 1.00 0.00 C ATOM 863 CG1 VAL A 53 6.946 -2.914 2.459 1.00 0.00 C ATOM 864 CG2 VAL A 53 8.259 -4.151 0.708 1.00 0.00 C ATOM 0 H VAL A 53 5.624 -1.122 0.877 1.00 0.00 H new ATOM 0 HA VAL A 53 6.533 -3.232 -0.964 1.00 0.00 H new ATOM 0 HB VAL A 53 7.870 -2.029 0.759 1.00 0.00 H new ATOM 0 HG11 VAL A 53 7.848 -2.924 3.071 1.00 0.00 H new ATOM 0 HG12 VAL A 53 6.380 -2.005 2.663 1.00 0.00 H new ATOM 0 HG13 VAL A 53 6.335 -3.784 2.699 1.00 0.00 H new ATOM 0 HG21 VAL A 53 9.096 -4.125 1.406 1.00 0.00 H new ATOM 0 HG22 VAL A 53 7.702 -5.078 0.845 1.00 0.00 H new ATOM 0 HG23 VAL A 53 8.636 -4.102 -0.313 1.00 0.00 H new ATOM 874 N GLU A 54 5.010 -5.079 -0.347 1.00 0.00 N ATOM 875 CA GLU A 54 4.038 -6.152 -0.152 1.00 0.00 C ATOM 876 C GLU A 54 4.140 -6.799 1.240 1.00 0.00 C ATOM 877 O GLU A 54 3.210 -7.460 1.700 1.00 0.00 O ATOM 878 CB GLU A 54 4.235 -7.203 -1.253 1.00 0.00 C ATOM 879 CG GLU A 54 5.583 -7.929 -1.113 1.00 0.00 C ATOM 880 CD GLU A 54 5.901 -8.893 -2.250 1.00 0.00 C ATOM 881 OE1 GLU A 54 5.243 -8.835 -3.316 1.00 0.00 O ATOM 882 OE2 GLU A 54 6.857 -9.673 -2.043 1.00 0.00 O ATOM 0 H GLU A 54 5.690 -5.283 -1.080 1.00 0.00 H new ATOM 0 HA GLU A 54 3.039 -5.721 -0.215 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.424 -7.930 -1.211 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.181 -6.721 -2.229 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.377 -7.185 -1.051 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.589 -8.481 -0.173 1.00 0.00 H new ATOM 889 N ASP A 55 5.273 -6.614 1.922 1.00 0.00 N ATOM 890 CA ASP A 55 5.660 -7.375 3.110 1.00 0.00 C ATOM 891 C ASP A 55 4.711 -7.175 4.294 1.00 0.00 C ATOM 892 O ASP A 55 4.676 -7.978 5.225 1.00 0.00 O ATOM 893 CB ASP A 55 7.085 -6.968 3.495 1.00 0.00 C ATOM 894 CG ASP A 55 7.658 -7.833 4.613 1.00 0.00 C ATOM 895 OD1 ASP A 55 8.029 -8.995 4.324 1.00 0.00 O ATOM 896 OD2 ASP A 55 7.870 -7.325 5.737 1.00 0.00 O ATOM 0 H ASP A 55 5.964 -5.912 1.655 1.00 0.00 H new ATOM 0 HA ASP A 55 5.607 -8.435 2.864 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.729 -7.039 2.619 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.089 -5.924 3.809 1.00 0.00 H new ATOM 901 N LEU A 56 3.919 -6.104 4.250 1.00 0.00 N ATOM 902 CA LEU A 56 3.191 -5.541 5.381 1.00 0.00 C ATOM 903 C LEU A 56 1.689 -5.447 5.096 1.00 0.00 C ATOM 904 O LEU A 56 0.968 -4.824 5.883 1.00 0.00 O ATOM 905 CB LEU A 56 3.795 -4.166 5.715 1.00 0.00 C ATOM 906 CG LEU A 56 5.309 -4.179 6.006 1.00 0.00 C ATOM 907 CD1 LEU A 56 5.802 -2.758 6.254 1.00 0.00 C ATOM 908 CD2 LEU A 56 5.699 -5.037 7.214 1.00 0.00 C ATOM 0 H LEU A 56 3.762 -5.584 3.386 1.00 0.00 H new ATOM 0 HA LEU A 56 3.294 -6.200 6.243 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.605 -3.489 4.882 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.276 -3.758 6.582 1.00 0.00 H new ATOM 0 HG LEU A 56 5.776 -4.619 5.125 1.00 0.00 H new ATOM 0 HD11 LEU A 56 6.872 -2.775 6.459 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.611 -2.147 5.371 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.275 -2.334 7.109 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.779 -4.997 7.356 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.202 -4.657 8.106 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.394 -6.069 7.041 1.00 0.00 H new ATOM 920 N VAL A 57 1.211 -6.057 4.005 1.00 0.00 N ATOM 921 CA VAL A 57 -0.195 -6.068 3.611 1.00 0.00 C ATOM 922 C VAL A 57 -0.737 -7.508 3.553 1.00 0.00 C ATOM 923 O VAL A 57 0.025 -8.465 3.689 1.00 0.00 O ATOM 924 CB VAL A 57 -0.400 -5.271 2.301 1.00 0.00 C ATOM 925 CG1 VAL A 57 0.019 -3.797 2.431 1.00 0.00 C ATOM 926 CG2 VAL A 57 0.348 -5.875 1.106 1.00 0.00 C ATOM 0 H VAL A 57 1.810 -6.569 3.358 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.787 -5.558 4.371 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.473 -5.330 2.118 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.147 -3.287 1.482 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.574 -3.317 3.209 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.075 -3.741 2.694 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.164 -5.270 0.218 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.417 -5.893 1.317 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.005 -6.892 0.932 1.00 0.00 H new ATOM 936 N GLU A 58 -2.051 -7.664 3.371 1.00 0.00 N ATOM 937 CA GLU A 58 -2.793 -8.912 3.202 1.00 0.00 C ATOM 938 C GLU A 58 -3.702 -8.799 1.980 1.00 0.00 C ATOM 939 O GLU A 58 -4.168 -7.699 1.651 1.00 0.00 O ATOM 940 CB GLU A 58 -3.605 -9.244 4.482 1.00 0.00 C ATOM 941 CG GLU A 58 -4.754 -8.248 4.761 1.00 0.00 C ATOM 942 CD GLU A 58 -5.576 -8.492 6.033 1.00 0.00 C ATOM 943 OE1 GLU A 58 -6.067 -9.622 6.275 1.00 0.00 O ATOM 944 OE2 GLU A 58 -5.880 -7.503 6.739 1.00 0.00 O ATOM 0 H GLU A 58 -2.671 -6.855 3.336 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.092 -9.731 3.041 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -4.020 -10.248 4.389 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.930 -9.256 5.338 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.331 -7.245 4.815 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -5.433 -8.262 3.908 1.00 0.00 H new ATOM 951 N GLU A 59 -4.003 -9.939 1.348 1.00 0.00 N ATOM 952 CA GLU A 59 -4.942 -10.047 0.243 1.00 0.00 C ATOM 953 C GLU A 59 -6.376 -9.838 0.753 1.00 0.00 C ATOM 954 O GLU A 59 -7.173 -10.774 0.849 1.00 0.00 O ATOM 955 CB GLU A 59 -4.837 -11.409 -0.488 1.00 0.00 C ATOM 956 CG GLU A 59 -3.820 -11.513 -1.635 1.00 0.00 C ATOM 957 CD GLU A 59 -4.311 -12.471 -2.738 1.00 0.00 C ATOM 958 OE1 GLU A 59 -4.963 -13.502 -2.435 1.00 0.00 O ATOM 959 OE2 GLU A 59 -4.183 -12.137 -3.940 1.00 0.00 O ATOM 0 H GLU A 59 -3.584 -10.833 1.604 1.00 0.00 H new ATOM 0 HA GLU A 59 -4.687 -9.270 -0.477 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.592 -12.171 0.251 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.821 -11.656 -0.886 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -3.647 -10.524 -2.060 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -2.865 -11.864 -1.245 1.00 0.00 H new ATOM 966 N VAL A 60 -6.748 -8.606 1.086 1.00 0.00 N ATOM 967 CA VAL A 60 -8.131 -8.294 1.417 1.00 0.00 C ATOM 968 C VAL A 60 -9.007 -8.533 0.187 1.00 0.00 C ATOM 969 O VAL A 60 -8.556 -8.420 -0.956 1.00 0.00 O ATOM 970 CB VAL A 60 -8.221 -6.866 1.973 1.00 0.00 C ATOM 971 CG1 VAL A 60 -8.074 -5.794 0.891 1.00 0.00 C ATOM 972 CG2 VAL A 60 -9.523 -6.612 2.739 1.00 0.00 C ATOM 0 H VAL A 60 -6.112 -7.810 1.133 1.00 0.00 H new ATOM 0 HA VAL A 60 -8.505 -8.951 2.203 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.380 -6.789 2.662 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -8.146 -4.806 1.346 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -7.105 -5.899 0.404 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -8.866 -5.912 0.152 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -9.533 -5.587 3.110 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -10.373 -6.765 2.074 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -9.591 -7.303 3.580 1.00 0.00 H new