USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 617 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 THR OG1 : rot 180:sc= 0.404 USER MOD Single : A 15 SER OG : rot -162:sc= 1 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -0.311 X(o=-0.31,f=-0.026) USER MOD Single : A 20 ASN : amide:sc= 0.187 X(o=0.19,f=-0.19) USER MOD Single : A 21 THR OG1 : rot 84:sc= 1.19 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -119:sc= 0.963 (180deg=0.295) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -165:sc= -0.246 (180deg=-0.646) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 1.02 (180deg=1.02) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -143:sc= 0.92 USER MOD Single : A 64 SER OG : rot 152:sc= 0.906 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 81:sc= 0.0602 USER MOD Single : A 84 SER OG : rot 79:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 94 N LEU A 6 -2.695 12.747 -14.317 1.00 10.00 N ATOM 95 CA LEU A 6 -1.986 12.165 -13.177 1.00 10.00 C ATOM 96 C LEU A 6 -0.868 13.106 -12.704 1.00 10.00 C ATOM 97 O LEU A 6 0.072 13.381 -13.447 1.00 10.00 O ATOM 98 CB LEU A 6 -1.466 10.769 -13.558 1.00 10.00 C ATOM 99 CG LEU A 6 -2.573 9.719 -13.802 1.00 10.00 C ATOM 100 CD1 LEU A 6 -1.935 8.356 -14.084 1.00 10.00 C ATOM 101 CD2 LEU A 6 -3.529 9.562 -12.612 1.00 10.00 C ATOM 0 HA LEU A 6 -2.667 12.045 -12.335 1.00 10.00 H new ATOM 0 HB2 LEU A 6 -0.859 10.855 -14.459 1.00 10.00 H new ATOM 0 HB3 LEU A 6 -0.810 10.410 -12.765 1.00 10.00 H new ATOM 0 HG LEU A 6 -3.153 10.075 -14.654 1.00 10.00 H new ATOM 0 HD11 LEU A 6 -2.717 7.617 -14.256 1.00 10.00 H new ATOM 0 HD12 LEU A 6 -1.302 8.427 -14.968 1.00 10.00 H new ATOM 0 HD13 LEU A 6 -1.331 8.053 -13.229 1.00 10.00 H new ATOM 0 HD21 LEU A 6 -4.282 8.810 -12.847 1.00 10.00 H new ATOM 0 HD22 LEU A 6 -2.967 9.249 -11.732 1.00 10.00 H new ATOM 0 HD23 LEU A 6 -4.018 10.515 -12.410 1.00 10.00 H new ATOM 113 N THR A 7 -0.985 13.619 -11.473 1.00 10.00 N ATOM 114 CA THR A 7 -0.025 14.548 -10.860 1.00 10.00 C ATOM 115 C THR A 7 -0.065 14.431 -9.329 1.00 10.00 C ATOM 116 O THR A 7 -0.734 13.543 -8.804 1.00 10.00 O ATOM 117 CB THR A 7 -0.309 15.984 -11.343 1.00 10.00 C ATOM 118 OG1 THR A 7 0.776 16.819 -11.007 1.00 10.00 O ATOM 119 CG2 THR A 7 -1.579 16.595 -10.746 1.00 10.00 C ATOM 0 H THR A 7 -1.769 13.395 -10.860 1.00 10.00 H new ATOM 0 HA THR A 7 0.986 14.286 -11.172 1.00 10.00 H new ATOM 0 HB THR A 7 -0.451 15.915 -12.422 1.00 10.00 H new ATOM 0 HG1 THR A 7 0.595 17.731 -11.316 1.00 10.00 H new ATOM 0 HG21 THR A 7 -1.713 17.606 -11.132 1.00 10.00 H new ATOM 0 HG22 THR A 7 -2.440 15.985 -11.020 1.00 10.00 H new ATOM 0 HG23 THR A 7 -1.490 16.630 -9.660 1.00 10.00 H new ATOM 127 N GLU A 8 0.607 15.351 -8.629 1.00 10.00 N ATOM 128 CA GLU A 8 0.803 15.519 -7.173 1.00 10.00 C ATOM 129 C GLU A 8 -0.488 15.670 -6.327 1.00 10.00 C ATOM 130 O GLU A 8 -0.471 16.240 -5.239 1.00 10.00 O ATOM 131 CB GLU A 8 1.729 16.734 -6.954 1.00 10.00 C ATOM 132 CG GLU A 8 3.097 16.611 -7.642 1.00 10.00 C ATOM 133 CD GLU A 8 3.904 17.902 -7.471 1.00 10.00 C ATOM 134 OE1 GLU A 8 3.645 18.843 -8.255 1.00 10.00 O ATOM 135 OE2 GLU A 8 4.760 17.937 -6.559 1.00 10.00 O ATOM 0 H GLU A 8 1.092 16.095 -9.130 1.00 10.00 H new ATOM 0 HA GLU A 8 1.243 14.589 -6.814 1.00 10.00 H new ATOM 0 HB2 GLU A 8 1.229 17.630 -7.322 1.00 10.00 H new ATOM 0 HB3 GLU A 8 1.883 16.872 -5.884 1.00 10.00 H new ATOM 0 HG2 GLU A 8 3.649 15.772 -7.219 1.00 10.00 H new ATOM 0 HG3 GLU A 8 2.959 16.399 -8.702 1.00 10.00 H new ATOM 142 N GLY A 9 -1.615 15.159 -6.822 1.00 10.00 N ATOM 143 CA GLY A 9 -2.886 15.044 -6.119 1.00 10.00 C ATOM 144 C GLY A 9 -3.572 13.736 -6.493 1.00 10.00 C ATOM 145 O GLY A 9 -3.842 12.909 -5.632 1.00 10.00 O ATOM 0 H GLY A 9 -1.665 14.796 -7.774 1.00 10.00 H new ATOM 0 HA2 GLY A 9 -2.720 15.082 -5.042 1.00 10.00 H new ATOM 0 HA3 GLY A 9 -3.529 15.887 -6.373 1.00 10.00 H new ATOM 149 N ASP A 10 -3.773 13.502 -7.791 1.00 10.00 N ATOM 150 CA ASP A 10 -4.383 12.276 -8.313 1.00 10.00 C ATOM 151 C ASP A 10 -3.487 11.033 -8.094 1.00 10.00 C ATOM 152 O ASP A 10 -3.965 9.982 -7.657 1.00 10.00 O ATOM 153 CB ASP A 10 -4.703 12.521 -9.799 1.00 10.00 C ATOM 154 CG ASP A 10 -5.588 13.765 -9.995 1.00 10.00 C ATOM 155 OD1 ASP A 10 -5.048 14.896 -9.944 1.00 10.00 O ATOM 156 OD2 ASP A 10 -6.817 13.593 -10.164 1.00 10.00 O ATOM 0 H ASP A 10 -3.514 14.167 -8.520 1.00 10.00 H new ATOM 0 HA ASP A 10 -5.300 12.052 -7.768 1.00 10.00 H new ATOM 0 HB2 ASP A 10 -3.774 12.644 -10.355 1.00 10.00 H new ATOM 0 HB3 ASP A 10 -5.208 11.647 -10.211 1.00 10.00 H new ATOM 161 N LEU A 11 -2.170 11.163 -8.314 1.00 10.00 N ATOM 162 CA LEU A 11 -1.196 10.127 -7.956 1.00 10.00 C ATOM 163 C LEU A 11 -1.053 9.986 -6.440 1.00 10.00 C ATOM 164 O LEU A 11 -0.832 8.876 -5.960 1.00 10.00 O ATOM 165 CB LEU A 11 0.187 10.443 -8.556 1.00 10.00 C ATOM 166 CG LEU A 11 0.267 10.339 -10.088 1.00 10.00 C ATOM 167 CD1 LEU A 11 1.621 10.853 -10.581 1.00 10.00 C ATOM 168 CD2 LEU A 11 0.097 8.890 -10.566 1.00 10.00 C ATOM 0 H LEU A 11 -1.753 11.989 -8.744 1.00 10.00 H new ATOM 0 HA LEU A 11 -1.571 9.189 -8.365 1.00 10.00 H new ATOM 0 HB2 LEU A 11 0.474 11.452 -8.259 1.00 10.00 H new ATOM 0 HB3 LEU A 11 0.919 9.763 -8.121 1.00 10.00 H new ATOM 0 HG LEU A 11 -0.543 10.945 -10.495 1.00 10.00 H new ATOM 0 HD11 LEU A 11 1.666 10.775 -11.667 1.00 10.00 H new ATOM 0 HD12 LEU A 11 1.743 11.895 -10.287 1.00 10.00 H new ATOM 0 HD13 LEU A 11 2.419 10.256 -10.140 1.00 10.00 H new ATOM 0 HD21 LEU A 11 0.159 8.856 -11.654 1.00 10.00 H new ATOM 0 HD22 LEU A 11 0.885 8.271 -10.138 1.00 10.00 H new ATOM 0 HD23 LEU A 11 -0.874 8.513 -10.246 1.00 10.00 H new ATOM 180 N ASP A 12 -1.174 11.082 -5.682 1.00 10.00 N ATOM 181 CA ASP A 12 -1.139 11.005 -4.224 1.00 10.00 C ATOM 182 C ASP A 12 -2.382 10.338 -3.628 1.00 10.00 C ATOM 183 O ASP A 12 -2.262 9.602 -2.657 1.00 10.00 O ATOM 184 CB ASP A 12 -0.773 12.332 -3.554 1.00 10.00 C ATOM 185 CG ASP A 12 -0.147 12.071 -2.174 1.00 10.00 C ATOM 186 OD1 ASP A 12 0.615 11.075 -2.057 1.00 10.00 O ATOM 187 OD2 ASP A 12 -0.434 12.866 -1.254 1.00 10.00 O ATOM 0 H ASP A 12 -1.296 12.024 -6.054 1.00 10.00 H new ATOM 0 HA ASP A 12 -0.313 10.335 -3.987 1.00 10.00 H new ATOM 0 HB2 ASP A 12 -0.073 12.884 -4.181 1.00 10.00 H new ATOM 0 HB3 ASP A 12 -1.663 12.952 -3.447 1.00 10.00 H new ATOM 192 N GLU A 13 -3.572 10.539 -4.206 1.00 10.00 N ATOM 193 CA GLU A 13 -4.767 9.758 -3.859 1.00 10.00 C ATOM 194 C GLU A 13 -4.480 8.253 -4.020 1.00 10.00 C ATOM 195 O GLU A 13 -4.829 7.458 -3.146 1.00 10.00 O ATOM 196 CB GLU A 13 -5.942 10.198 -4.753 1.00 10.00 C ATOM 197 CG GLU A 13 -7.307 9.637 -4.327 1.00 10.00 C ATOM 198 CD GLU A 13 -7.895 10.405 -3.137 1.00 10.00 C ATOM 199 OE1 GLU A 13 -7.393 10.200 -2.010 1.00 10.00 O ATOM 200 OE2 GLU A 13 -8.836 11.197 -3.377 1.00 10.00 O ATOM 0 H GLU A 13 -3.734 11.244 -4.925 1.00 10.00 H new ATOM 0 HA GLU A 13 -5.035 9.939 -2.818 1.00 10.00 H new ATOM 0 HB2 GLU A 13 -5.994 11.287 -4.754 1.00 10.00 H new ATOM 0 HB3 GLU A 13 -5.739 9.888 -5.778 1.00 10.00 H new ATOM 0 HG2 GLU A 13 -7.998 9.686 -5.168 1.00 10.00 H new ATOM 0 HG3 GLU A 13 -7.201 8.585 -4.063 1.00 10.00 H new ATOM 207 N ILE A 14 -3.762 7.860 -5.086 1.00 10.00 N ATOM 208 CA ILE A 14 -3.283 6.476 -5.247 1.00 10.00 C ATOM 209 C ILE A 14 -2.203 6.108 -4.205 1.00 10.00 C ATOM 210 O ILE A 14 -2.299 5.033 -3.610 1.00 10.00 O ATOM 211 CB ILE A 14 -2.842 6.224 -6.708 1.00 10.00 C ATOM 212 CG1 ILE A 14 -4.078 6.325 -7.636 1.00 10.00 C ATOM 213 CG2 ILE A 14 -2.152 4.854 -6.850 1.00 10.00 C ATOM 214 CD1 ILE A 14 -3.791 6.199 -9.137 1.00 10.00 C ATOM 0 H ILE A 14 -3.500 8.482 -5.850 1.00 10.00 H new ATOM 0 HA ILE A 14 -4.112 5.798 -5.044 1.00 10.00 H new ATOM 0 HB ILE A 14 -2.114 6.982 -6.998 1.00 10.00 H new ATOM 0 HG12 ILE A 14 -4.787 5.547 -7.353 1.00 10.00 H new ATOM 0 HG13 ILE A 14 -4.567 7.282 -7.457 1.00 10.00 H new ATOM 0 HG21 ILE A 14 -1.852 4.703 -7.887 1.00 10.00 H new ATOM 0 HG22 ILE A 14 -1.271 4.822 -6.209 1.00 10.00 H new ATOM 0 HG23 ILE A 14 -2.844 4.066 -6.554 1.00 10.00 H new ATOM 0 HD11 ILE A 14 -4.724 6.284 -9.694 1.00 10.00 H new ATOM 0 HD12 ILE A 14 -3.111 6.993 -9.445 1.00 10.00 H new ATOM 0 HD13 ILE A 14 -3.334 5.231 -9.340 1.00 10.00 H new ATOM 226 N SER A 15 -1.224 6.982 -3.918 1.00 10.00 N ATOM 227 CA SER A 15 -0.199 6.734 -2.882 1.00 10.00 C ATOM 228 C SER A 15 -0.846 6.511 -1.503 1.00 10.00 C ATOM 229 O SER A 15 -0.512 5.558 -0.792 1.00 10.00 O ATOM 230 CB SER A 15 0.841 7.886 -2.844 1.00 10.00 C ATOM 231 OG SER A 15 0.741 8.700 -1.682 1.00 10.00 O ATOM 0 H SER A 15 -1.118 7.878 -4.394 1.00 10.00 H new ATOM 0 HA SER A 15 0.332 5.819 -3.145 1.00 10.00 H new ATOM 0 HB2 SER A 15 1.844 7.462 -2.896 1.00 10.00 H new ATOM 0 HB3 SER A 15 0.713 8.511 -3.728 1.00 10.00 H new ATOM 0 HG SER A 15 1.202 9.551 -1.838 1.00 10.00 H new ATOM 237 N SER A 16 -1.850 7.334 -1.190 1.00 10.00 N ATOM 238 CA SER A 16 -2.656 7.300 0.024 1.00 10.00 C ATOM 239 C SER A 16 -3.528 6.048 0.074 1.00 10.00 C ATOM 240 O SER A 16 -3.531 5.362 1.094 1.00 10.00 O ATOM 241 CB SER A 16 -3.523 8.563 0.064 1.00 10.00 C ATOM 242 OG SER A 16 -4.305 8.598 1.238 1.00 10.00 O ATOM 0 H SER A 16 -2.136 8.085 -1.818 1.00 10.00 H new ATOM 0 HA SER A 16 -2.000 7.269 0.894 1.00 10.00 H new ATOM 0 HB2 SER A 16 -2.887 9.447 0.019 1.00 10.00 H new ATOM 0 HB3 SER A 16 -4.172 8.592 -0.811 1.00 10.00 H new ATOM 0 HG SER A 16 -4.850 9.413 1.244 1.00 10.00 H new ATOM 248 N PHE A 17 -4.180 5.672 -1.038 1.00 10.00 N ATOM 249 CA PHE A 17 -4.943 4.425 -1.123 1.00 10.00 C ATOM 250 C PHE A 17 -4.059 3.198 -0.862 1.00 10.00 C ATOM 251 O PHE A 17 -4.459 2.305 -0.112 1.00 10.00 O ATOM 252 CB PHE A 17 -5.616 4.332 -2.501 1.00 10.00 C ATOM 253 CG PHE A 17 -6.195 2.966 -2.819 1.00 10.00 C ATOM 254 CD1 PHE A 17 -7.394 2.549 -2.211 1.00 10.00 C ATOM 255 CD2 PHE A 17 -5.509 2.090 -3.684 1.00 10.00 C ATOM 256 CE1 PHE A 17 -7.905 1.264 -2.469 1.00 10.00 C ATOM 257 CE2 PHE A 17 -6.018 0.805 -3.940 1.00 10.00 C ATOM 258 CZ PHE A 17 -7.219 0.394 -3.334 1.00 10.00 C ATOM 0 H PHE A 17 -4.191 6.223 -1.896 1.00 10.00 H new ATOM 0 HA PHE A 17 -5.708 4.435 -0.347 1.00 10.00 H new ATOM 0 HB2 PHE A 17 -6.413 5.074 -2.554 1.00 10.00 H new ATOM 0 HB3 PHE A 17 -4.886 4.592 -3.268 1.00 10.00 H new ATOM 0 HD1 PHE A 17 -7.922 3.216 -1.546 1.00 10.00 H new ATOM 0 HD2 PHE A 17 -4.589 2.407 -4.152 1.00 10.00 H new ATOM 0 HE1 PHE A 17 -8.825 0.946 -2.002 1.00 10.00 H new ATOM 0 HE2 PHE A 17 -5.488 0.135 -4.601 1.00 10.00 H new ATOM 0 HZ PHE A 17 -7.614 -0.591 -3.534 1.00 10.00 H new ATOM 268 N LEU A 18 -2.845 3.168 -1.424 1.00 10.00 N ATOM 269 CA LEU A 18 -1.897 2.072 -1.223 1.00 10.00 C ATOM 270 C LEU A 18 -1.385 2.026 0.222 1.00 10.00 C ATOM 271 O LEU A 18 -1.487 0.981 0.866 1.00 10.00 O ATOM 272 CB LEU A 18 -0.745 2.217 -2.233 1.00 10.00 C ATOM 273 CG LEU A 18 -1.178 1.936 -3.684 1.00 10.00 C ATOM 274 CD1 LEU A 18 -0.087 2.372 -4.665 1.00 10.00 C ATOM 275 CD2 LEU A 18 -1.477 0.455 -3.907 1.00 10.00 C ATOM 0 H LEU A 18 -2.494 3.907 -2.033 1.00 10.00 H new ATOM 0 HA LEU A 18 -2.404 1.123 -1.396 1.00 10.00 H new ATOM 0 HB2 LEU A 18 -0.339 3.226 -2.170 1.00 10.00 H new ATOM 0 HB3 LEU A 18 0.058 1.533 -1.960 1.00 10.00 H new ATOM 0 HG LEU A 18 -2.088 2.509 -3.861 1.00 10.00 H new ATOM 0 HD11 LEU A 18 -0.411 2.165 -5.685 1.00 10.00 H new ATOM 0 HD12 LEU A 18 0.098 3.440 -4.552 1.00 10.00 H new ATOM 0 HD13 LEU A 18 0.830 1.821 -4.457 1.00 10.00 H new ATOM 0 HD21 LEU A 18 -1.779 0.297 -4.942 1.00 10.00 H new ATOM 0 HD22 LEU A 18 -0.583 -0.132 -3.696 1.00 10.00 H new ATOM 0 HD23 LEU A 18 -2.282 0.142 -3.242 1.00 10.00 H new ATOM 287 N HIS A 19 -0.906 3.155 0.760 1.00 10.00 N ATOM 288 CA HIS A 19 -0.453 3.249 2.150 1.00 10.00 C ATOM 289 C HIS A 19 -1.573 2.871 3.132 1.00 10.00 C ATOM 290 O HIS A 19 -1.366 2.021 4.003 1.00 10.00 O ATOM 291 CB HIS A 19 0.085 4.669 2.393 1.00 10.00 C ATOM 292 CG HIS A 19 0.607 4.966 3.782 1.00 10.00 C ATOM 293 ND1 HIS A 19 0.922 6.219 4.256 1.00 10.00 N ATOM 294 CD2 HIS A 19 0.879 4.084 4.798 1.00 10.00 C ATOM 295 CE1 HIS A 19 1.365 6.092 5.518 1.00 10.00 C ATOM 296 NE2 HIS A 19 1.351 4.806 5.896 1.00 10.00 N ATOM 0 H HIS A 19 -0.822 4.029 0.241 1.00 10.00 H new ATOM 0 HA HIS A 19 0.350 2.533 2.327 1.00 10.00 H new ATOM 0 HB2 HIS A 19 0.888 4.856 1.680 1.00 10.00 H new ATOM 0 HB3 HIS A 19 -0.712 5.378 2.169 1.00 10.00 H new ATOM 0 HD2 HIS A 19 0.750 3.013 4.755 1.00 10.00 H new ATOM 0 HE1 HIS A 19 1.688 6.913 6.142 1.00 10.00 H new ATOM 0 HE2 HIS A 19 1.629 4.431 6.803 1.00 10.00 H new ATOM 304 N ASN A 20 -2.777 3.433 2.958 1.00 10.00 N ATOM 305 CA ASN A 20 -3.933 3.091 3.777 1.00 10.00 C ATOM 306 C ASN A 20 -4.308 1.608 3.644 1.00 10.00 C ATOM 307 O ASN A 20 -4.631 0.986 4.650 1.00 10.00 O ATOM 308 CB ASN A 20 -5.117 4.007 3.428 1.00 10.00 C ATOM 309 CG ASN A 20 -6.254 3.773 4.409 1.00 10.00 C ATOM 310 OD1 ASN A 20 -6.304 4.378 5.468 1.00 10.00 O ATOM 311 ND2 ASN A 20 -7.131 2.837 4.108 1.00 10.00 N ATOM 0 H ASN A 20 -2.970 4.136 2.245 1.00 10.00 H new ATOM 0 HA ASN A 20 -3.669 3.252 4.822 1.00 10.00 H new ATOM 0 HB2 ASN A 20 -4.804 5.051 3.462 1.00 10.00 H new ATOM 0 HB3 ASN A 20 -5.455 3.809 2.411 1.00 10.00 H new ATOM 0 HD21 ASN A 20 -7.874 2.603 4.767 1.00 10.00 H new ATOM 0 HD22 ASN A 20 -7.067 2.346 3.216 1.00 10.00 H new ATOM 318 N THR A 21 -4.222 1.019 2.442 1.00 10.00 N ATOM 319 CA THR A 21 -4.540 -0.403 2.233 1.00 10.00 C ATOM 320 C THR A 21 -3.612 -1.295 3.058 1.00 10.00 C ATOM 321 O THR A 21 -4.104 -2.160 3.781 1.00 10.00 O ATOM 322 CB THR A 21 -4.467 -0.788 0.746 1.00 10.00 C ATOM 323 OG1 THR A 21 -5.411 -0.046 0.016 1.00 10.00 O ATOM 324 CG2 THR A 21 -4.797 -2.263 0.504 1.00 10.00 C ATOM 0 H THR A 21 -3.933 1.508 1.595 1.00 10.00 H new ATOM 0 HA THR A 21 -5.565 -0.559 2.569 1.00 10.00 H new ATOM 0 HB THR A 21 -3.444 -0.585 0.429 1.00 10.00 H new ATOM 0 HG1 THR A 21 -5.036 0.831 -0.207 1.00 10.00 H new ATOM 0 HG21 THR A 21 -4.731 -2.481 -0.562 1.00 10.00 H new ATOM 0 HG22 THR A 21 -4.088 -2.888 1.047 1.00 10.00 H new ATOM 0 HG23 THR A 21 -5.808 -2.472 0.855 1.00 10.00 H new ATOM 332 N ILE A 22 -2.294 -1.046 3.033 1.00 10.00 N ATOM 333 CA ILE A 22 -1.348 -1.778 3.889 1.00 10.00 C ATOM 334 C ILE A 22 -1.650 -1.512 5.370 1.00 10.00 C ATOM 335 O ILE A 22 -1.685 -2.457 6.155 1.00 10.00 O ATOM 336 CB ILE A 22 0.115 -1.417 3.551 1.00 10.00 C ATOM 337 CG1 ILE A 22 0.423 -1.695 2.072 1.00 10.00 C ATOM 338 CG2 ILE A 22 1.119 -2.200 4.422 1.00 10.00 C ATOM 339 CD1 ILE A 22 1.888 -1.489 1.699 1.00 10.00 C ATOM 0 H ILE A 22 -1.860 -0.346 2.432 1.00 10.00 H new ATOM 0 HA ILE A 22 -1.474 -2.843 3.696 1.00 10.00 H new ATOM 0 HB ILE A 22 0.226 -0.353 3.758 1.00 10.00 H new ATOM 0 HG12 ILE A 22 0.139 -2.721 1.838 1.00 10.00 H new ATOM 0 HG13 ILE A 22 -0.195 -1.044 1.453 1.00 10.00 H new ATOM 0 HG21 ILE A 22 2.136 -1.915 4.151 1.00 10.00 H new ATOM 0 HG22 ILE A 22 0.946 -1.970 5.473 1.00 10.00 H new ATOM 0 HG23 ILE A 22 0.986 -3.269 4.258 1.00 10.00 H new ATOM 0 HD11 ILE A 22 2.027 -1.704 0.640 1.00 10.00 H new ATOM 0 HD12 ILE A 22 2.173 -0.456 1.900 1.00 10.00 H new ATOM 0 HD13 ILE A 22 2.512 -2.159 2.291 1.00 10.00 H new ATOM 351 N SER A 23 -1.898 -0.251 5.754 1.00 10.00 N ATOM 352 CA SER A 23 -2.193 0.126 7.143 1.00 10.00 C ATOM 353 C SER A 23 -3.444 -0.581 7.693 1.00 10.00 C ATOM 354 O SER A 23 -3.351 -1.253 8.722 1.00 10.00 O ATOM 355 CB SER A 23 -2.329 1.647 7.249 1.00 10.00 C ATOM 356 OG SER A 23 -2.372 2.037 8.606 1.00 10.00 O ATOM 0 H SER A 23 -1.899 0.538 5.107 1.00 10.00 H new ATOM 0 HA SER A 23 -1.358 -0.205 7.761 1.00 10.00 H new ATOM 0 HB2 SER A 23 -1.489 2.131 6.750 1.00 10.00 H new ATOM 0 HB3 SER A 23 -3.235 1.975 6.739 1.00 10.00 H new ATOM 0 HG SER A 23 -2.457 3.012 8.664 1.00 10.00 H new ATOM 362 N ASP A 24 -4.583 -0.533 6.981 1.00 10.00 N ATOM 363 CA ASP A 24 -5.745 -1.358 7.312 1.00 10.00 C ATOM 364 C ASP A 24 -5.472 -2.854 7.304 1.00 10.00 C ATOM 365 O ASP A 24 -5.969 -3.536 8.200 1.00 10.00 O ATOM 366 CB ASP A 24 -6.953 -1.073 6.400 1.00 10.00 C ATOM 367 CG ASP A 24 -7.744 0.162 6.815 1.00 10.00 C ATOM 368 OD1 ASP A 24 -8.382 0.023 7.886 1.00 10.00 O ATOM 369 OD2 ASP A 24 -7.813 1.145 6.048 1.00 10.00 O ATOM 0 H ASP A 24 -4.718 0.072 6.171 1.00 10.00 H new ATOM 0 HA ASP A 24 -5.980 -1.066 8.335 1.00 10.00 H new ATOM 0 HB2 ASP A 24 -6.604 -0.945 5.376 1.00 10.00 H new ATOM 0 HB3 ASP A 24 -7.615 -1.939 6.405 1.00 10.00 H new ATOM 374 N PHE A 25 -4.670 -3.373 6.367 1.00 10.00 N ATOM 375 CA PHE A 25 -4.467 -4.817 6.293 1.00 10.00 C ATOM 376 C PHE A 25 -3.612 -5.265 7.490 1.00 10.00 C ATOM 377 O PHE A 25 -3.981 -6.225 8.158 1.00 10.00 O ATOM 378 CB PHE A 25 -3.876 -5.205 4.930 1.00 10.00 C ATOM 379 CG PHE A 25 -4.084 -6.662 4.567 1.00 10.00 C ATOM 380 CD1 PHE A 25 -5.289 -7.023 3.929 1.00 10.00 C ATOM 381 CD2 PHE A 25 -3.114 -7.647 4.824 1.00 10.00 C ATOM 382 CE1 PHE A 25 -5.527 -8.355 3.549 1.00 10.00 C ATOM 383 CE2 PHE A 25 -3.351 -8.977 4.431 1.00 10.00 C ATOM 384 CZ PHE A 25 -4.553 -9.334 3.800 1.00 10.00 C ATOM 0 H PHE A 25 -4.165 -2.828 5.668 1.00 10.00 H new ATOM 0 HA PHE A 25 -5.418 -5.345 6.362 1.00 10.00 H new ATOM 0 HB2 PHE A 25 -4.325 -4.580 4.158 1.00 10.00 H new ATOM 0 HB3 PHE A 25 -2.808 -4.990 4.933 1.00 10.00 H new ATOM 0 HD1 PHE A 25 -6.036 -6.269 3.731 1.00 10.00 H new ATOM 0 HD2 PHE A 25 -2.192 -7.384 5.321 1.00 10.00 H new ATOM 0 HE1 PHE A 25 -6.455 -8.624 3.066 1.00 10.00 H new ATOM 0 HE2 PHE A 25 -2.600 -9.731 4.617 1.00 10.00 H new ATOM 0 HZ PHE A 25 -4.728 -10.359 3.508 1.00 10.00 H new ATOM 394 N ILE A 26 -2.577 -4.498 7.874 1.00 10.00 N ATOM 395 CA ILE A 26 -1.796 -4.712 9.090 1.00 10.00 C ATOM 396 C ILE A 26 -2.705 -4.624 10.326 1.00 10.00 C ATOM 397 O ILE A 26 -2.708 -5.560 11.124 1.00 10.00 O ATOM 398 CB ILE A 26 -0.618 -3.707 9.110 1.00 10.00 C ATOM 399 CG1 ILE A 26 0.468 -4.170 8.110 1.00 10.00 C ATOM 400 CG2 ILE A 26 -0.030 -3.547 10.517 1.00 10.00 C ATOM 401 CD1 ILE A 26 1.641 -3.194 7.943 1.00 10.00 C ATOM 0 H ILE A 26 -2.258 -3.696 7.331 1.00 10.00 H new ATOM 0 HA ILE A 26 -1.367 -5.714 9.108 1.00 10.00 H new ATOM 0 HB ILE A 26 -0.994 -2.729 8.811 1.00 10.00 H new ATOM 0 HG12 ILE A 26 0.858 -5.134 8.438 1.00 10.00 H new ATOM 0 HG13 ILE A 26 0.003 -4.329 7.137 1.00 10.00 H new ATOM 0 HG21 ILE A 26 0.794 -2.834 10.488 1.00 10.00 H new ATOM 0 HG22 ILE A 26 -0.802 -3.183 11.195 1.00 10.00 H new ATOM 0 HG23 ILE A 26 0.337 -4.511 10.870 1.00 10.00 H new ATOM 0 HD11 ILE A 26 2.353 -3.600 7.224 1.00 10.00 H new ATOM 0 HD12 ILE A 26 1.268 -2.235 7.582 1.00 10.00 H new ATOM 0 HD13 ILE A 26 2.136 -3.053 8.904 1.00 10.00 H new ATOM 413 N LEU A 27 -3.543 -3.584 10.457 1.00 10.00 N ATOM 414 CA LEU A 27 -4.512 -3.469 11.561 1.00 10.00 C ATOM 415 C LEU A 27 -5.543 -4.614 11.599 1.00 10.00 C ATOM 416 O LEU A 27 -6.069 -4.924 12.666 1.00 10.00 O ATOM 417 CB LEU A 27 -5.215 -2.095 11.500 1.00 10.00 C ATOM 418 CG LEU A 27 -4.618 -0.997 12.403 1.00 10.00 C ATOM 419 CD1 LEU A 27 -4.907 -1.281 13.881 1.00 10.00 C ATOM 420 CD2 LEU A 27 -3.111 -0.791 12.219 1.00 10.00 C ATOM 0 H LEU A 27 -3.569 -2.801 9.804 1.00 10.00 H new ATOM 0 HA LEU A 27 -3.946 -3.552 12.489 1.00 10.00 H new ATOM 0 HB2 LEU A 27 -5.194 -1.742 10.469 1.00 10.00 H new ATOM 0 HB3 LEU A 27 -6.262 -2.231 11.769 1.00 10.00 H new ATOM 0 HG LEU A 27 -5.110 -0.076 12.091 1.00 10.00 H new ATOM 0 HD11 LEU A 27 -4.474 -0.491 14.495 1.00 10.00 H new ATOM 0 HD12 LEU A 27 -5.985 -1.316 14.041 1.00 10.00 H new ATOM 0 HD13 LEU A 27 -4.468 -2.239 14.160 1.00 10.00 H new ATOM 0 HD21 LEU A 27 -2.767 -0.003 12.889 1.00 10.00 H new ATOM 0 HD22 LEU A 27 -2.586 -1.718 12.450 1.00 10.00 H new ATOM 0 HD23 LEU A 27 -2.906 -0.505 11.187 1.00 10.00 H new ATOM 432 N LYS A 28 -5.813 -5.258 10.456 1.00 10.00 N ATOM 433 CA LYS A 28 -6.689 -6.433 10.316 1.00 10.00 C ATOM 434 C LYS A 28 -5.903 -7.761 10.292 1.00 10.00 C ATOM 435 O LYS A 28 -6.488 -8.819 10.059 1.00 10.00 O ATOM 436 CB LYS A 28 -7.586 -6.222 9.080 1.00 10.00 C ATOM 437 CG LYS A 28 -8.566 -5.056 9.325 1.00 10.00 C ATOM 438 CD LYS A 28 -9.130 -4.439 8.036 1.00 10.00 C ATOM 439 CE LYS A 28 -10.059 -3.259 8.360 1.00 10.00 C ATOM 440 NZ LYS A 28 -9.367 -2.134 9.042 1.00 10.00 N ATOM 0 H LYS A 28 -5.411 -4.964 9.566 1.00 10.00 H new ATOM 0 HA LYS A 28 -7.326 -6.524 11.196 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -6.970 -6.011 8.206 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -8.142 -7.135 8.865 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -9.394 -5.412 9.939 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -8.057 -4.280 9.896 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -8.312 -4.100 7.401 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -9.677 -5.196 7.474 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -10.507 -2.894 7.436 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -10.875 -3.611 8.992 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -9.794 -1.980 9.978 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -8.359 -2.364 9.155 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -9.463 -1.270 8.471 1.00 10.00 H new ATOM 454 N ARG A 29 -4.595 -7.718 10.588 1.00 10.00 N ATOM 455 CA ARG A 29 -3.702 -8.880 10.707 1.00 10.00 C ATOM 456 C ARG A 29 -3.025 -8.994 12.078 1.00 10.00 C ATOM 457 O ARG A 29 -2.915 -10.107 12.583 1.00 10.00 O ATOM 458 CB ARG A 29 -2.631 -8.795 9.609 1.00 10.00 C ATOM 459 CG ARG A 29 -3.138 -9.061 8.182 1.00 10.00 C ATOM 460 CD ARG A 29 -2.988 -10.518 7.757 1.00 10.00 C ATOM 461 NE ARG A 29 -3.911 -11.422 8.454 1.00 10.00 N ATOM 462 CZ ARG A 29 -3.764 -12.738 8.548 1.00 10.00 C ATOM 463 NH1 ARG A 29 -2.746 -13.395 8.039 1.00 10.00 N ATOM 464 NH2 ARG A 29 -4.678 -13.438 9.179 1.00 10.00 N ATOM 0 H ARG A 29 -4.111 -6.836 10.758 1.00 10.00 H new ATOM 0 HA ARG A 29 -4.317 -9.773 10.593 1.00 10.00 H new ATOM 0 HB2 ARG A 29 -2.180 -7.803 9.639 1.00 10.00 H new ATOM 0 HB3 ARG A 29 -1.841 -9.511 9.837 1.00 10.00 H new ATOM 0 HG2 ARG A 29 -4.188 -8.776 8.117 1.00 10.00 H new ATOM 0 HG3 ARG A 29 -2.591 -8.427 7.484 1.00 10.00 H new ATOM 0 HD2 ARG A 29 -3.156 -10.595 6.683 1.00 10.00 H new ATOM 0 HD3 ARG A 29 -1.964 -10.841 7.944 1.00 10.00 H new ATOM 0 HE ARG A 29 -4.729 -11.007 8.901 1.00 10.00 H new ATOM 0 HH11 ARG A 29 -2.013 -12.892 7.539 1.00 10.00 H new ATOM 0 HH12 ARG A 29 -2.689 -14.408 8.144 1.00 10.00 H new ATOM 0 HH21 ARG A 29 -5.486 -12.970 9.588 1.00 10.00 H new ATOM 0 HH22 ARG A 29 -4.580 -14.450 9.260 1.00 10.00 H new ATOM 478 N VAL A 30 -2.602 -7.883 12.691 1.00 10.00 N ATOM 479 CA VAL A 30 -1.855 -7.866 13.959 1.00 10.00 C ATOM 480 C VAL A 30 -2.250 -6.670 14.833 1.00 10.00 C ATOM 481 O VAL A 30 -2.561 -5.583 14.345 1.00 10.00 O ATOM 482 CB VAL A 30 -0.336 -7.923 13.678 1.00 10.00 C ATOM 483 CG1 VAL A 30 0.191 -6.754 12.834 1.00 10.00 C ATOM 484 CG2 VAL A 30 0.499 -8.030 14.961 1.00 10.00 C ATOM 0 H VAL A 30 -2.771 -6.950 12.314 1.00 10.00 H new ATOM 0 HA VAL A 30 -2.119 -8.754 14.533 1.00 10.00 H new ATOM 0 HB VAL A 30 -0.217 -8.835 13.092 1.00 10.00 H new ATOM 0 HG11 VAL A 30 1.264 -6.869 12.683 1.00 10.00 H new ATOM 0 HG12 VAL A 30 -0.313 -6.747 11.868 1.00 10.00 H new ATOM 0 HG13 VAL A 30 -0.003 -5.815 13.352 1.00 10.00 H new ATOM 0 HG21 VAL A 30 1.558 -8.067 14.704 1.00 10.00 H new ATOM 0 HG22 VAL A 30 0.309 -7.162 15.592 1.00 10.00 H new ATOM 0 HG23 VAL A 30 0.225 -8.937 15.499 1.00 10.00 H new ATOM 494 N SER A 31 -2.248 -6.885 16.152 1.00 10.00 N ATOM 495 CA SER A 31 -2.636 -5.886 17.146 1.00 10.00 C ATOM 496 C SER A 31 -1.635 -4.731 17.221 1.00 10.00 C ATOM 497 O SER A 31 -0.523 -4.891 17.717 1.00 10.00 O ATOM 498 CB SER A 31 -2.749 -6.556 18.516 1.00 10.00 C ATOM 499 OG SER A 31 -3.170 -5.621 19.488 1.00 10.00 O ATOM 0 H SER A 31 -1.971 -7.776 16.564 1.00 10.00 H new ATOM 0 HA SER A 31 -3.597 -5.469 16.845 1.00 10.00 H new ATOM 0 HB2 SER A 31 -3.458 -7.383 18.466 1.00 10.00 H new ATOM 0 HB3 SER A 31 -1.786 -6.979 18.802 1.00 10.00 H new ATOM 0 HG SER A 31 -3.239 -6.064 20.359 1.00 10.00 H new ATOM 505 N ALA A 32 -2.059 -3.532 16.810 1.00 10.00 N ATOM 506 CA ALA A 32 -1.337 -2.276 16.987 1.00 10.00 C ATOM 507 C ALA A 32 -0.883 -2.013 18.434 1.00 10.00 C ATOM 508 O ALA A 32 0.123 -1.340 18.630 1.00 10.00 O ATOM 509 CB ALA A 32 -2.195 -1.128 16.449 1.00 10.00 C ATOM 0 H ALA A 32 -2.949 -3.409 16.327 1.00 10.00 H new ATOM 0 HA ALA A 32 -0.411 -2.349 16.417 1.00 10.00 H new ATOM 0 HB1 ALA A 32 -1.663 -0.185 16.577 1.00 10.00 H new ATOM 0 HB2 ALA A 32 -2.397 -1.290 15.390 1.00 10.00 H new ATOM 0 HB3 ALA A 32 -3.137 -1.090 16.996 1.00 10.00 H new ATOM 515 N LYS A 33 -1.552 -2.591 19.449 1.00 10.00 N ATOM 516 CA LYS A 33 -1.087 -2.557 20.847 1.00 10.00 C ATOM 517 C LYS A 33 0.229 -3.317 21.088 1.00 10.00 C ATOM 518 O LYS A 33 0.787 -3.212 22.176 1.00 10.00 O ATOM 519 CB LYS A 33 -2.176 -3.081 21.794 1.00 10.00 C ATOM 520 CG LYS A 33 -3.442 -2.209 21.775 1.00 10.00 C ATOM 521 CD LYS A 33 -4.418 -2.539 22.917 1.00 10.00 C ATOM 522 CE LYS A 33 -4.163 -1.737 24.206 1.00 10.00 C ATOM 523 NZ LYS A 33 -2.881 -2.079 24.870 1.00 10.00 N ATOM 0 H LYS A 33 -2.430 -3.095 19.322 1.00 10.00 H new ATOM 0 HA LYS A 33 -0.880 -1.508 21.061 1.00 10.00 H new ATOM 0 HB2 LYS A 33 -2.437 -4.101 21.513 1.00 10.00 H new ATOM 0 HB3 LYS A 33 -1.782 -3.121 22.809 1.00 10.00 H new ATOM 0 HG2 LYS A 33 -3.154 -1.160 21.842 1.00 10.00 H new ATOM 0 HG3 LYS A 33 -3.952 -2.339 20.820 1.00 10.00 H new ATOM 0 HD2 LYS A 33 -5.436 -2.349 22.578 1.00 10.00 H new ATOM 0 HD3 LYS A 33 -4.351 -3.603 23.143 1.00 10.00 H new ATOM 0 HE2 LYS A 33 -4.169 -0.673 23.970 1.00 10.00 H new ATOM 0 HE3 LYS A 33 -4.983 -1.913 24.903 1.00 10.00 H new ATOM 0 HZ1 LYS A 33 -2.883 -1.706 25.841 1.00 10.00 H new ATOM 0 HZ2 LYS A 33 -2.768 -3.113 24.896 1.00 10.00 H new ATOM 0 HZ3 LYS A 33 -2.092 -1.658 24.339 1.00 10.00 H new ATOM 537 N GLU A 34 0.713 -4.054 20.087 1.00 10.00 N ATOM 538 CA GLU A 34 1.975 -4.797 20.074 1.00 10.00 C ATOM 539 C GLU A 34 2.924 -4.264 18.984 1.00 10.00 C ATOM 540 O GLU A 34 4.011 -4.808 18.790 1.00 10.00 O ATOM 541 CB GLU A 34 1.692 -6.290 19.834 1.00 10.00 C ATOM 542 CG GLU A 34 0.595 -6.868 20.743 1.00 10.00 C ATOM 543 CD GLU A 34 0.363 -8.355 20.463 1.00 10.00 C ATOM 544 OE1 GLU A 34 1.369 -9.106 20.448 1.00 10.00 O ATOM 545 OE2 GLU A 34 -0.818 -8.719 20.262 1.00 10.00 O ATOM 0 H GLU A 34 0.203 -4.154 19.209 1.00 10.00 H new ATOM 0 HA GLU A 34 2.461 -4.665 21.041 1.00 10.00 H new ATOM 0 HB2 GLU A 34 1.401 -6.432 18.793 1.00 10.00 H new ATOM 0 HB3 GLU A 34 2.612 -6.854 19.987 1.00 10.00 H new ATOM 0 HG2 GLU A 34 0.877 -6.733 21.787 1.00 10.00 H new ATOM 0 HG3 GLU A 34 -0.334 -6.318 20.590 1.00 10.00 H new ATOM 552 N ILE A 35 2.522 -3.202 18.272 1.00 10.00 N ATOM 553 CA ILE A 35 3.313 -2.536 17.240 1.00 10.00 C ATOM 554 C ILE A 35 3.925 -1.271 17.843 1.00 10.00 C ATOM 555 O ILE A 35 3.219 -0.380 18.309 1.00 10.00 O ATOM 556 CB ILE A 35 2.416 -2.245 16.015 1.00 10.00 C ATOM 557 CG1 ILE A 35 1.858 -3.537 15.370 1.00 10.00 C ATOM 558 CG2 ILE A 35 3.110 -1.400 14.940 1.00 10.00 C ATOM 559 CD1 ILE A 35 2.915 -4.578 14.985 1.00 10.00 C ATOM 0 H ILE A 35 1.607 -2.773 18.407 1.00 10.00 H new ATOM 0 HA ILE A 35 4.129 -3.169 16.891 1.00 10.00 H new ATOM 0 HB ILE A 35 1.586 -1.663 16.416 1.00 10.00 H new ATOM 0 HG12 ILE A 35 1.153 -3.996 16.063 1.00 10.00 H new ATOM 0 HG13 ILE A 35 1.295 -3.265 14.477 1.00 10.00 H new ATOM 0 HG21 ILE A 35 2.424 -1.233 14.109 1.00 10.00 H new ATOM 0 HG22 ILE A 35 3.405 -0.441 15.365 1.00 10.00 H new ATOM 0 HG23 ILE A 35 3.995 -1.924 14.580 1.00 10.00 H new ATOM 0 HD11 ILE A 35 2.427 -5.446 14.542 1.00 10.00 H new ATOM 0 HD12 ILE A 35 3.608 -4.144 14.264 1.00 10.00 H new ATOM 0 HD13 ILE A 35 3.464 -4.886 15.875 1.00 10.00 H new ATOM 571 N VAL A 36 5.257 -1.205 17.818 1.00 10.00 N ATOM 572 CA VAL A 36 6.036 -0.017 18.171 1.00 10.00 C ATOM 573 C VAL A 36 5.823 1.061 17.109 1.00 10.00 C ATOM 574 O VAL A 36 5.489 2.191 17.457 1.00 10.00 O ATOM 575 CB VAL A 36 7.528 -0.398 18.299 1.00 10.00 C ATOM 576 CG1 VAL A 36 8.457 0.820 18.340 1.00 10.00 C ATOM 577 CG2 VAL A 36 7.754 -1.239 19.562 1.00 10.00 C ATOM 0 H VAL A 36 5.839 -1.997 17.545 1.00 10.00 H new ATOM 0 HA VAL A 36 5.705 0.380 19.131 1.00 10.00 H new ATOM 0 HB VAL A 36 7.775 -0.972 17.406 1.00 10.00 H new ATOM 0 HG11 VAL A 36 9.491 0.486 18.431 1.00 10.00 H new ATOM 0 HG12 VAL A 36 8.341 1.397 17.423 1.00 10.00 H new ATOM 0 HG13 VAL A 36 8.201 1.444 19.196 1.00 10.00 H new ATOM 0 HG21 VAL A 36 8.809 -1.501 19.641 1.00 10.00 H new ATOM 0 HG22 VAL A 36 7.456 -0.665 20.439 1.00 10.00 H new ATOM 0 HG23 VAL A 36 7.157 -2.149 19.504 1.00 10.00 H new ATOM 587 N ASP A 37 5.986 0.706 15.827 1.00 10.00 N ATOM 588 CA ASP A 37 5.734 1.603 14.691 1.00 10.00 C ATOM 589 C ASP A 37 5.652 0.838 13.351 1.00 10.00 C ATOM 590 O ASP A 37 5.894 -0.371 13.292 1.00 10.00 O ATOM 591 CB ASP A 37 6.820 2.709 14.631 1.00 10.00 C ATOM 592 CG ASP A 37 6.272 4.056 14.140 1.00 10.00 C ATOM 593 OD1 ASP A 37 5.254 4.037 13.409 1.00 10.00 O ATOM 594 OD2 ASP A 37 6.876 5.089 14.504 1.00 10.00 O ATOM 0 H ASP A 37 6.300 -0.223 15.547 1.00 10.00 H new ATOM 0 HA ASP A 37 4.762 2.069 14.849 1.00 10.00 H new ATOM 0 HB2 ASP A 37 7.255 2.839 15.622 1.00 10.00 H new ATOM 0 HB3 ASP A 37 7.624 2.386 13.970 1.00 10.00 H new ATOM 599 N ILE A 38 5.367 1.558 12.260 1.00 10.00 N ATOM 600 CA ILE A 38 5.450 1.065 10.879 1.00 10.00 C ATOM 601 C ILE A 38 6.121 2.094 9.962 1.00 10.00 C ATOM 602 O ILE A 38 5.835 3.286 10.036 1.00 10.00 O ATOM 603 CB ILE A 38 4.059 0.682 10.304 1.00 10.00 C ATOM 604 CG1 ILE A 38 2.990 1.793 10.448 1.00 10.00 C ATOM 605 CG2 ILE A 38 3.582 -0.641 10.915 1.00 10.00 C ATOM 606 CD1 ILE A 38 1.618 1.431 9.861 1.00 10.00 C ATOM 0 H ILE A 38 5.063 2.530 12.315 1.00 10.00 H new ATOM 0 HA ILE A 38 6.061 0.163 10.912 1.00 10.00 H new ATOM 0 HB ILE A 38 4.191 0.556 9.229 1.00 10.00 H new ATOM 0 HG12 ILE A 38 2.869 2.029 11.505 1.00 10.00 H new ATOM 0 HG13 ILE A 38 3.354 2.697 9.959 1.00 10.00 H new ATOM 0 HG21 ILE A 38 2.606 -0.900 10.505 1.00 10.00 H new ATOM 0 HG22 ILE A 38 4.296 -1.430 10.678 1.00 10.00 H new ATOM 0 HG23 ILE A 38 3.504 -0.535 11.997 1.00 10.00 H new ATOM 0 HD11 ILE A 38 0.930 2.264 10.004 1.00 10.00 H new ATOM 0 HD12 ILE A 38 1.721 1.225 8.796 1.00 10.00 H new ATOM 0 HD13 ILE A 38 1.228 0.547 10.366 1.00 10.00 H new ATOM 618 N ASP A 39 6.964 1.610 9.046 1.00 10.00 N ATOM 619 CA ASP A 39 7.480 2.407 7.928 1.00 10.00 C ATOM 620 C ASP A 39 6.792 1.911 6.662 1.00 10.00 C ATOM 621 O ASP A 39 6.911 0.736 6.322 1.00 10.00 O ATOM 622 CB ASP A 39 9.005 2.280 7.753 1.00 10.00 C ATOM 623 CG ASP A 39 9.841 3.138 8.699 1.00 10.00 C ATOM 624 OD1 ASP A 39 9.485 4.321 8.878 1.00 10.00 O ATOM 625 OD2 ASP A 39 10.874 2.614 9.179 1.00 10.00 O ATOM 0 H ASP A 39 7.310 0.650 9.058 1.00 10.00 H new ATOM 0 HA ASP A 39 7.274 3.458 8.129 1.00 10.00 H new ATOM 0 HB2 ASP A 39 9.285 1.236 7.892 1.00 10.00 H new ATOM 0 HB3 ASP A 39 9.260 2.545 6.727 1.00 10.00 H new ATOM 630 N ILE A 40 6.084 2.796 5.953 1.00 10.00 N ATOM 631 CA ILE A 40 5.506 2.497 4.641 1.00 10.00 C ATOM 632 C ILE A 40 5.878 3.629 3.687 1.00 10.00 C ATOM 633 O ILE A 40 5.586 4.796 3.936 1.00 10.00 O ATOM 634 CB ILE A 40 3.984 2.240 4.715 1.00 10.00 C ATOM 635 CG1 ILE A 40 3.700 0.914 5.454 1.00 10.00 C ATOM 636 CG2 ILE A 40 3.396 2.145 3.292 1.00 10.00 C ATOM 637 CD1 ILE A 40 2.255 0.727 5.906 1.00 10.00 C ATOM 0 H ILE A 40 5.895 3.745 6.276 1.00 10.00 H new ATOM 0 HA ILE A 40 5.921 1.564 4.259 1.00 10.00 H new ATOM 0 HB ILE A 40 3.523 3.067 5.255 1.00 10.00 H new ATOM 0 HG12 ILE A 40 3.971 0.085 4.800 1.00 10.00 H new ATOM 0 HG13 ILE A 40 4.349 0.856 6.328 1.00 10.00 H new ATOM 0 HG21 ILE A 40 2.323 1.964 3.353 1.00 10.00 H new ATOM 0 HG22 ILE A 40 3.577 3.079 2.761 1.00 10.00 H new ATOM 0 HG23 ILE A 40 3.873 1.325 2.755 1.00 10.00 H new ATOM 0 HD11 ILE A 40 2.154 -0.232 6.414 1.00 10.00 H new ATOM 0 HD12 ILE A 40 1.981 1.531 6.589 1.00 10.00 H new ATOM 0 HD13 ILE A 40 1.597 0.748 5.038 1.00 10.00 H new ATOM 649 N THR A 41 6.542 3.259 2.592 1.00 10.00 N ATOM 650 CA THR A 41 6.940 4.147 1.501 1.00 10.00 C ATOM 651 C THR A 41 6.284 3.657 0.215 1.00 10.00 C ATOM 652 O THR A 41 6.508 2.519 -0.201 1.00 10.00 O ATOM 653 CB THR A 41 8.470 4.175 1.373 1.00 10.00 C ATOM 654 OG1 THR A 41 9.014 4.730 2.547 1.00 10.00 O ATOM 655 CG2 THR A 41 8.957 5.029 0.203 1.00 10.00 C ATOM 0 H THR A 41 6.829 2.293 2.435 1.00 10.00 H new ATOM 0 HA THR A 41 6.611 5.166 1.703 1.00 10.00 H new ATOM 0 HB THR A 41 8.790 3.147 1.206 1.00 10.00 H new ATOM 0 HG1 THR A 41 9.991 4.751 2.477 1.00 10.00 H new ATOM 0 HG21 THR A 41 10.046 5.008 0.166 1.00 10.00 H new ATOM 0 HG22 THR A 41 8.555 4.632 -0.729 1.00 10.00 H new ATOM 0 HG23 THR A 41 8.618 6.056 0.336 1.00 10.00 H new ATOM 663 N VAL A 42 5.484 4.525 -0.409 1.00 10.00 N ATOM 664 CA VAL A 42 4.915 4.316 -1.743 1.00 10.00 C ATOM 665 C VAL A 42 5.486 5.382 -2.675 1.00 10.00 C ATOM 666 O VAL A 42 5.342 6.575 -2.409 1.00 10.00 O ATOM 667 CB VAL A 42 3.373 4.356 -1.708 1.00 10.00 C ATOM 668 CG1 VAL A 42 2.796 4.133 -3.112 1.00 10.00 C ATOM 669 CG2 VAL A 42 2.798 3.275 -0.780 1.00 10.00 C ATOM 0 H VAL A 42 5.207 5.413 0.009 1.00 10.00 H new ATOM 0 HA VAL A 42 5.186 3.326 -2.111 1.00 10.00 H new ATOM 0 HB VAL A 42 3.093 5.340 -1.333 1.00 10.00 H new ATOM 0 HG11 VAL A 42 1.707 4.165 -3.067 1.00 10.00 H new ATOM 0 HG12 VAL A 42 3.155 4.915 -3.781 1.00 10.00 H new ATOM 0 HG13 VAL A 42 3.116 3.161 -3.486 1.00 10.00 H new ATOM 0 HG21 VAL A 42 1.710 3.335 -0.782 1.00 10.00 H new ATOM 0 HG22 VAL A 42 3.108 2.291 -1.132 1.00 10.00 H new ATOM 0 HG23 VAL A 42 3.168 3.431 0.233 1.00 10.00 H new ATOM 679 N LEU A 43 6.110 4.949 -3.771 1.00 10.00 N ATOM 680 CA LEU A 43 6.648 5.796 -4.834 1.00 10.00 C ATOM 681 C LEU A 43 5.921 5.479 -6.143 1.00 10.00 C ATOM 682 O LEU A 43 5.641 4.318 -6.439 1.00 10.00 O ATOM 683 CB LEU A 43 8.175 5.591 -4.965 1.00 10.00 C ATOM 684 CG LEU A 43 9.001 6.807 -4.502 1.00 10.00 C ATOM 685 CD1 LEU A 43 8.870 7.076 -3.000 1.00 10.00 C ATOM 686 CD2 LEU A 43 10.482 6.586 -4.821 1.00 10.00 C ATOM 0 H LEU A 43 6.260 3.956 -3.949 1.00 10.00 H new ATOM 0 HA LEU A 43 6.483 6.846 -4.591 1.00 10.00 H new ATOM 0 HB2 LEU A 43 8.468 4.719 -4.380 1.00 10.00 H new ATOM 0 HB3 LEU A 43 8.416 5.373 -6.005 1.00 10.00 H new ATOM 0 HG LEU A 43 8.607 7.670 -5.039 1.00 10.00 H new ATOM 0 HD11 LEU A 43 9.473 7.943 -2.732 1.00 10.00 H new ATOM 0 HD12 LEU A 43 7.826 7.270 -2.755 1.00 10.00 H new ATOM 0 HD13 LEU A 43 9.218 6.206 -2.443 1.00 10.00 H new ATOM 0 HD21 LEU A 43 11.058 7.450 -4.490 1.00 10.00 H new ATOM 0 HD22 LEU A 43 10.836 5.694 -4.304 1.00 10.00 H new ATOM 0 HD23 LEU A 43 10.607 6.456 -5.896 1.00 10.00 H new ATOM 698 N VAL A 44 5.601 6.516 -6.921 1.00 10.00 N ATOM 699 CA VAL A 44 4.995 6.381 -8.247 1.00 10.00 C ATOM 700 C VAL A 44 5.626 7.401 -9.199 1.00 10.00 C ATOM 701 O VAL A 44 5.758 8.575 -8.858 1.00 10.00 O ATOM 702 CB VAL A 44 3.455 6.467 -8.158 1.00 10.00 C ATOM 703 CG1 VAL A 44 2.927 7.814 -7.650 1.00 10.00 C ATOM 704 CG2 VAL A 44 2.808 6.141 -9.510 1.00 10.00 C ATOM 0 H VAL A 44 5.758 7.485 -6.644 1.00 10.00 H new ATOM 0 HA VAL A 44 5.202 5.394 -8.661 1.00 10.00 H new ATOM 0 HB VAL A 44 3.173 5.721 -7.415 1.00 10.00 H new ATOM 0 HG11 VAL A 44 1.838 7.789 -7.618 1.00 10.00 H new ATOM 0 HG12 VAL A 44 3.315 8.003 -6.649 1.00 10.00 H new ATOM 0 HG13 VAL A 44 3.252 8.609 -8.321 1.00 10.00 H new ATOM 0 HG21 VAL A 44 1.724 6.209 -9.420 1.00 10.00 H new ATOM 0 HG22 VAL A 44 3.155 6.852 -10.260 1.00 10.00 H new ATOM 0 HG23 VAL A 44 3.085 5.131 -9.812 1.00 10.00 H new ATOM 714 N GLU A 45 6.041 6.940 -10.381 1.00 10.00 N ATOM 715 CA GLU A 45 6.805 7.710 -11.367 1.00 10.00 C ATOM 716 C GLU A 45 6.394 7.322 -12.794 1.00 10.00 C ATOM 717 O GLU A 45 5.850 6.241 -13.027 1.00 10.00 O ATOM 718 CB GLU A 45 8.317 7.467 -11.193 1.00 10.00 C ATOM 719 CG GLU A 45 8.898 8.123 -9.932 1.00 10.00 C ATOM 720 CD GLU A 45 10.430 8.041 -9.907 1.00 10.00 C ATOM 721 OE1 GLU A 45 11.050 8.617 -10.830 1.00 10.00 O ATOM 722 OE2 GLU A 45 10.964 7.416 -8.964 1.00 10.00 O ATOM 0 H GLU A 45 5.848 5.987 -10.689 1.00 10.00 H new ATOM 0 HA GLU A 45 6.588 8.766 -11.204 1.00 10.00 H new ATOM 0 HB2 GLU A 45 8.503 6.394 -11.154 1.00 10.00 H new ATOM 0 HB3 GLU A 45 8.842 7.850 -12.068 1.00 10.00 H new ATOM 0 HG2 GLU A 45 8.588 9.167 -9.889 1.00 10.00 H new ATOM 0 HG3 GLU A 45 8.492 7.633 -9.047 1.00 10.00 H new ATOM 729 N TYR A 46 6.680 8.195 -13.767 1.00 10.00 N ATOM 730 CA TYR A 46 6.364 7.937 -15.169 1.00 10.00 C ATOM 731 C TYR A 46 7.514 8.459 -16.040 1.00 10.00 C ATOM 732 O TYR A 46 7.687 9.667 -16.194 1.00 10.00 O ATOM 733 CB TYR A 46 5.004 8.569 -15.515 1.00 10.00 C ATOM 734 CG TYR A 46 4.343 7.979 -16.749 1.00 10.00 C ATOM 735 CD1 TYR A 46 4.993 7.974 -18.000 1.00 10.00 C ATOM 736 CD2 TYR A 46 3.080 7.369 -16.618 1.00 10.00 C ATOM 737 CE1 TYR A 46 4.417 7.298 -19.090 1.00 10.00 C ATOM 738 CE2 TYR A 46 2.492 6.706 -17.709 1.00 10.00 C ATOM 739 CZ TYR A 46 3.179 6.637 -18.940 1.00 10.00 C ATOM 740 OH TYR A 46 2.662 5.926 -19.977 1.00 10.00 O ATOM 0 H TYR A 46 7.134 9.093 -13.602 1.00 10.00 H new ATOM 0 HA TYR A 46 6.269 6.868 -15.362 1.00 10.00 H new ATOM 0 HB2 TYR A 46 4.333 8.450 -14.664 1.00 10.00 H new ATOM 0 HB3 TYR A 46 5.141 9.640 -15.666 1.00 10.00 H new ATOM 0 HD1 TYR A 46 5.934 8.490 -18.121 1.00 10.00 H new ATOM 0 HD2 TYR A 46 2.560 7.411 -15.672 1.00 10.00 H new ATOM 0 HE1 TYR A 46 4.923 7.285 -20.044 1.00 10.00 H new ATOM 0 HE2 TYR A 46 1.518 6.251 -17.606 1.00 10.00 H new ATOM 0 HH TYR A 46 1.806 5.532 -19.709 1.00 10.00 H new ATOM 750 N THR A 47 8.320 7.544 -16.585 1.00 10.00 N ATOM 751 CA THR A 47 9.467 7.844 -17.456 1.00 10.00 C ATOM 752 C THR A 47 9.388 6.956 -18.702 1.00 10.00 C ATOM 753 O THR A 47 9.981 5.881 -18.763 1.00 10.00 O ATOM 754 CB THR A 47 10.790 7.795 -16.668 1.00 10.00 C ATOM 755 OG1 THR A 47 11.856 8.148 -17.516 1.00 10.00 O ATOM 756 CG2 THR A 47 11.135 6.471 -15.975 1.00 10.00 C ATOM 0 H THR A 47 8.192 6.544 -16.430 1.00 10.00 H new ATOM 0 HA THR A 47 9.432 8.870 -17.821 1.00 10.00 H new ATOM 0 HB THR A 47 10.638 8.507 -15.856 1.00 10.00 H new ATOM 0 HG1 THR A 47 12.697 8.118 -17.014 1.00 10.00 H new ATOM 0 HG21 THR A 47 12.089 6.569 -15.457 1.00 10.00 H new ATOM 0 HG22 THR A 47 10.355 6.223 -15.255 1.00 10.00 H new ATOM 0 HG23 THR A 47 11.207 5.678 -16.720 1.00 10.00 H new ATOM 764 N ASP A 48 8.553 7.382 -19.663 1.00 10.00 N ATOM 765 CA ASP A 48 8.066 6.628 -20.839 1.00 10.00 C ATOM 766 C ASP A 48 7.186 5.419 -20.447 1.00 10.00 C ATOM 767 O ASP A 48 6.082 5.253 -20.966 1.00 10.00 O ATOM 768 CB ASP A 48 9.224 6.259 -21.782 1.00 10.00 C ATOM 769 CG ASP A 48 8.716 5.859 -23.168 1.00 10.00 C ATOM 770 OD1 ASP A 48 8.129 6.744 -23.830 1.00 10.00 O ATOM 771 OD2 ASP A 48 8.932 4.689 -23.553 1.00 10.00 O ATOM 0 H ASP A 48 8.171 8.328 -19.641 1.00 10.00 H new ATOM 0 HA ASP A 48 7.405 7.288 -21.400 1.00 10.00 H new ATOM 0 HB2 ASP A 48 9.904 7.106 -21.874 1.00 10.00 H new ATOM 0 HB3 ASP A 48 9.796 5.437 -21.352 1.00 10.00 H new ATOM 776 N GLU A 49 7.623 4.650 -19.447 1.00 10.00 N ATOM 777 CA GLU A 49 6.867 3.618 -18.745 1.00 10.00 C ATOM 778 C GLU A 49 6.328 4.184 -17.412 1.00 10.00 C ATOM 779 O GLU A 49 6.938 5.065 -16.801 1.00 10.00 O ATOM 780 CB GLU A 49 7.804 2.429 -18.464 1.00 10.00 C ATOM 781 CG GLU A 49 7.049 1.107 -18.220 1.00 10.00 C ATOM 782 CD GLU A 49 7.825 0.091 -17.367 1.00 10.00 C ATOM 783 OE1 GLU A 49 9.011 0.317 -17.028 1.00 10.00 O ATOM 784 OE2 GLU A 49 7.210 -0.907 -16.920 1.00 10.00 O ATOM 0 H GLU A 49 8.573 4.739 -19.086 1.00 10.00 H new ATOM 0 HA GLU A 49 6.025 3.292 -19.356 1.00 10.00 H new ATOM 0 HB2 GLU A 49 8.483 2.302 -19.307 1.00 10.00 H new ATOM 0 HB3 GLU A 49 8.418 2.656 -17.592 1.00 10.00 H new ATOM 0 HG2 GLU A 49 6.100 1.328 -17.730 1.00 10.00 H new ATOM 0 HG3 GLU A 49 6.813 0.653 -19.182 1.00 10.00 H new ATOM 791 N LEU A 50 5.222 3.615 -16.923 1.00 10.00 N ATOM 792 CA LEU A 50 4.667 3.848 -15.589 1.00 10.00 C ATOM 793 C LEU A 50 5.355 2.912 -14.585 1.00 10.00 C ATOM 794 O LEU A 50 5.408 1.701 -14.807 1.00 10.00 O ATOM 795 CB LEU A 50 3.150 3.570 -15.634 1.00 10.00 C ATOM 796 CG LEU A 50 2.426 3.603 -14.270 1.00 10.00 C ATOM 797 CD1 LEU A 50 2.473 4.974 -13.592 1.00 10.00 C ATOM 798 CD2 LEU A 50 0.957 3.217 -14.461 1.00 10.00 C ATOM 0 H LEU A 50 4.668 2.954 -17.468 1.00 10.00 H new ATOM 0 HA LEU A 50 4.836 4.879 -15.278 1.00 10.00 H new ATOM 0 HB2 LEU A 50 2.683 4.304 -16.291 1.00 10.00 H new ATOM 0 HB3 LEU A 50 2.991 2.591 -16.086 1.00 10.00 H new ATOM 0 HG LEU A 50 2.949 2.895 -13.628 1.00 10.00 H new ATOM 0 HD11 LEU A 50 1.946 4.927 -12.639 1.00 10.00 H new ATOM 0 HD12 LEU A 50 3.511 5.259 -13.419 1.00 10.00 H new ATOM 0 HD13 LEU A 50 1.996 5.714 -14.234 1.00 10.00 H new ATOM 0 HD21 LEU A 50 0.447 3.240 -13.498 1.00 10.00 H new ATOM 0 HD22 LEU A 50 0.481 3.923 -15.141 1.00 10.00 H new ATOM 0 HD23 LEU A 50 0.896 2.212 -14.880 1.00 10.00 H new ATOM 810 N LYS A 51 5.855 3.458 -13.470 1.00 10.00 N ATOM 811 CA LYS A 51 6.436 2.674 -12.374 1.00 10.00 C ATOM 812 C LYS A 51 5.759 3.026 -11.047 1.00 10.00 C ATOM 813 O LYS A 51 5.498 4.193 -10.763 1.00 10.00 O ATOM 814 CB LYS A 51 7.958 2.915 -12.329 1.00 10.00 C ATOM 815 CG LYS A 51 8.748 1.722 -11.759 1.00 10.00 C ATOM 816 CD LYS A 51 9.234 0.728 -12.828 1.00 10.00 C ATOM 817 CE LYS A 51 8.092 0.073 -13.615 1.00 10.00 C ATOM 818 NZ LYS A 51 8.600 -0.822 -14.677 1.00 10.00 N ATOM 0 H LYS A 51 5.868 4.464 -13.302 1.00 10.00 H new ATOM 0 HA LYS A 51 6.264 1.612 -12.546 1.00 10.00 H new ATOM 0 HB2 LYS A 51 8.315 3.130 -13.336 1.00 10.00 H new ATOM 0 HB3 LYS A 51 8.161 3.799 -11.724 1.00 10.00 H new ATOM 0 HG2 LYS A 51 9.610 2.099 -11.209 1.00 10.00 H new ATOM 0 HG3 LYS A 51 8.120 1.192 -11.043 1.00 10.00 H new ATOM 0 HD2 LYS A 51 9.893 1.247 -13.523 1.00 10.00 H new ATOM 0 HD3 LYS A 51 9.827 -0.050 -12.347 1.00 10.00 H new ATOM 0 HE2 LYS A 51 7.459 -0.495 -12.933 1.00 10.00 H new ATOM 0 HE3 LYS A 51 7.467 0.847 -14.060 1.00 10.00 H new ATOM 0 HZ1 LYS A 51 7.799 -1.246 -15.187 1.00 10.00 H new ATOM 0 HZ2 LYS A 51 9.183 -0.275 -15.342 1.00 10.00 H new ATOM 0 HZ3 LYS A 51 9.176 -1.575 -14.250 1.00 10.00 H new ATOM 832 N VAL A 52 5.465 2.000 -10.248 1.00 10.00 N ATOM 833 CA VAL A 52 4.954 2.118 -8.880 1.00 10.00 C ATOM 834 C VAL A 52 5.700 1.119 -8.003 1.00 10.00 C ATOM 835 O VAL A 52 5.842 -0.050 -8.362 1.00 10.00 O ATOM 836 CB VAL A 52 3.419 1.954 -8.818 1.00 10.00 C ATOM 837 CG1 VAL A 52 2.908 0.618 -9.378 1.00 10.00 C ATOM 838 CG2 VAL A 52 2.881 2.128 -7.387 1.00 10.00 C ATOM 0 H VAL A 52 5.580 1.031 -10.544 1.00 10.00 H new ATOM 0 HA VAL A 52 5.139 3.123 -8.500 1.00 10.00 H new ATOM 0 HB VAL A 52 3.039 2.749 -9.460 1.00 10.00 H new ATOM 0 HG11 VAL A 52 1.822 0.582 -9.298 1.00 10.00 H new ATOM 0 HG12 VAL A 52 3.198 0.528 -10.425 1.00 10.00 H new ATOM 0 HG13 VAL A 52 3.341 -0.205 -8.809 1.00 10.00 H new ATOM 0 HG21 VAL A 52 1.798 2.005 -7.388 1.00 10.00 H new ATOM 0 HG22 VAL A 52 3.331 1.379 -6.736 1.00 10.00 H new ATOM 0 HG23 VAL A 52 3.133 3.124 -7.022 1.00 10.00 H new ATOM 848 N ASP A 53 6.169 1.592 -6.852 1.00 10.00 N ATOM 849 CA ASP A 53 7.082 0.878 -5.972 1.00 10.00 C ATOM 850 C ASP A 53 6.623 1.063 -4.525 1.00 10.00 C ATOM 851 O ASP A 53 6.256 2.162 -4.104 1.00 10.00 O ATOM 852 CB ASP A 53 8.508 1.404 -6.187 1.00 10.00 C ATOM 853 CG ASP A 53 9.036 1.038 -7.578 1.00 10.00 C ATOM 854 OD1 ASP A 53 9.570 -0.087 -7.702 1.00 10.00 O ATOM 855 OD2 ASP A 53 8.892 1.875 -8.498 1.00 10.00 O ATOM 0 H ASP A 53 5.914 2.513 -6.497 1.00 10.00 H new ATOM 0 HA ASP A 53 7.080 -0.188 -6.197 1.00 10.00 H new ATOM 0 HB2 ASP A 53 8.520 2.487 -6.065 1.00 10.00 H new ATOM 0 HB3 ASP A 53 9.169 0.990 -5.425 1.00 10.00 H new ATOM 860 N ILE A 54 6.608 -0.040 -3.773 1.00 10.00 N ATOM 861 CA ILE A 54 6.032 -0.112 -2.432 1.00 10.00 C ATOM 862 C ILE A 54 7.042 -0.801 -1.516 1.00 10.00 C ATOM 863 O ILE A 54 7.599 -1.844 -1.854 1.00 10.00 O ATOM 864 CB ILE A 54 4.676 -0.861 -2.465 1.00 10.00 C ATOM 865 CG1 ILE A 54 3.675 -0.188 -3.435 1.00 10.00 C ATOM 866 CG2 ILE A 54 4.060 -0.937 -1.058 1.00 10.00 C ATOM 867 CD1 ILE A 54 2.276 -0.817 -3.450 1.00 10.00 C ATOM 0 H ILE A 54 7.005 -0.925 -4.088 1.00 10.00 H new ATOM 0 HA ILE A 54 5.828 0.888 -2.049 1.00 10.00 H new ATOM 0 HB ILE A 54 4.876 -1.870 -2.825 1.00 10.00 H new ATOM 0 HG12 ILE A 54 3.582 0.865 -3.167 1.00 10.00 H new ATOM 0 HG13 ILE A 54 4.086 -0.226 -4.444 1.00 10.00 H new ATOM 0 HG21 ILE A 54 3.109 -1.467 -1.105 1.00 10.00 H new ATOM 0 HG22 ILE A 54 4.739 -1.469 -0.392 1.00 10.00 H new ATOM 0 HG23 ILE A 54 3.895 0.071 -0.678 1.00 10.00 H new ATOM 0 HD11 ILE A 54 1.644 -0.281 -4.158 1.00 10.00 H new ATOM 0 HD12 ILE A 54 2.350 -1.862 -3.750 1.00 10.00 H new ATOM 0 HD13 ILE A 54 1.839 -0.755 -2.453 1.00 10.00 H new ATOM 879 N SER A 55 7.323 -0.202 -0.362 1.00 10.00 N ATOM 880 CA SER A 55 8.073 -0.839 0.721 1.00 10.00 C ATOM 881 C SER A 55 7.338 -0.635 2.041 1.00 10.00 C ATOM 882 O SER A 55 6.964 0.494 2.356 1.00 10.00 O ATOM 883 CB SER A 55 9.501 -0.298 0.750 1.00 10.00 C ATOM 884 OG SER A 55 10.153 -0.737 -0.425 1.00 10.00 O ATOM 0 H SER A 55 7.033 0.752 -0.148 1.00 10.00 H new ATOM 0 HA SER A 55 8.142 -1.914 0.553 1.00 10.00 H new ATOM 0 HB2 SER A 55 9.496 0.791 0.800 1.00 10.00 H new ATOM 0 HB3 SER A 55 10.027 -0.655 1.635 1.00 10.00 H new ATOM 0 HG SER A 55 11.074 -0.401 -0.433 1.00 10.00 H new ATOM 890 N ALA A 56 7.135 -1.713 2.802 1.00 10.00 N ATOM 891 CA ALA A 56 6.522 -1.677 4.126 1.00 10.00 C ATOM 892 C ALA A 56 7.368 -2.471 5.129 1.00 10.00 C ATOM 893 O ALA A 56 7.882 -3.538 4.793 1.00 10.00 O ATOM 894 CB ALA A 56 5.092 -2.221 4.042 1.00 10.00 C ATOM 0 H ALA A 56 7.399 -2.653 2.506 1.00 10.00 H new ATOM 0 HA ALA A 56 6.478 -0.647 4.480 1.00 10.00 H new ATOM 0 HB1 ALA A 56 4.634 -2.194 5.031 1.00 10.00 H new ATOM 0 HB2 ALA A 56 4.509 -1.607 3.355 1.00 10.00 H new ATOM 0 HB3 ALA A 56 5.114 -3.249 3.680 1.00 10.00 H new ATOM 900 N GLU A 57 7.466 -1.970 6.362 1.00 10.00 N ATOM 901 CA GLU A 57 8.164 -2.612 7.476 1.00 10.00 C ATOM 902 C GLU A 57 7.362 -2.448 8.778 1.00 10.00 C ATOM 903 O GLU A 57 6.679 -1.439 8.983 1.00 10.00 O ATOM 904 CB GLU A 57 9.595 -2.049 7.586 1.00 10.00 C ATOM 905 CG GLU A 57 10.477 -2.704 8.664 1.00 10.00 C ATOM 906 CD GLU A 57 10.612 -4.221 8.471 1.00 10.00 C ATOM 907 OE1 GLU A 57 9.632 -4.924 8.816 1.00 10.00 O ATOM 908 OE2 GLU A 57 11.671 -4.656 7.969 1.00 10.00 O ATOM 0 H GLU A 57 7.047 -1.076 6.620 1.00 10.00 H new ATOM 0 HA GLU A 57 8.247 -3.683 7.292 1.00 10.00 H new ATOM 0 HB2 GLU A 57 10.087 -2.161 6.620 1.00 10.00 H new ATOM 0 HB3 GLU A 57 9.533 -0.980 7.791 1.00 10.00 H new ATOM 0 HG2 GLU A 57 11.467 -2.249 8.644 1.00 10.00 H new ATOM 0 HG3 GLU A 57 10.053 -2.502 9.648 1.00 10.00 H new ATOM 915 N LEU A 58 7.462 -3.457 9.650 1.00 10.00 N ATOM 916 CA LEU A 58 6.630 -3.660 10.832 1.00 10.00 C ATOM 917 C LEU A 58 7.499 -3.778 12.088 1.00 10.00 C ATOM 918 O LEU A 58 8.100 -4.824 12.339 1.00 10.00 O ATOM 919 CB LEU A 58 5.804 -4.941 10.598 1.00 10.00 C ATOM 920 CG LEU A 58 4.772 -5.251 11.700 1.00 10.00 C ATOM 921 CD1 LEU A 58 3.494 -4.437 11.485 1.00 10.00 C ATOM 922 CD2 LEU A 58 4.400 -6.734 11.689 1.00 10.00 C ATOM 0 H LEU A 58 8.163 -4.190 9.541 1.00 10.00 H new ATOM 0 HA LEU A 58 5.965 -2.811 10.989 1.00 10.00 H new ATOM 0 HB2 LEU A 58 5.282 -4.852 9.645 1.00 10.00 H new ATOM 0 HB3 LEU A 58 6.487 -5.786 10.510 1.00 10.00 H new ATOM 0 HG LEU A 58 5.225 -4.988 12.656 1.00 10.00 H new ATOM 0 HD11 LEU A 58 2.778 -4.670 12.273 1.00 10.00 H new ATOM 0 HD12 LEU A 58 3.731 -3.373 11.513 1.00 10.00 H new ATOM 0 HD13 LEU A 58 3.062 -4.687 10.516 1.00 10.00 H new ATOM 0 HD21 LEU A 58 3.670 -6.932 12.474 1.00 10.00 H new ATOM 0 HD22 LEU A 58 3.971 -6.994 10.721 1.00 10.00 H new ATOM 0 HD23 LEU A 58 5.293 -7.334 11.864 1.00 10.00 H new ATOM 934 N TYR A 59 7.528 -2.731 12.919 1.00 10.00 N ATOM 935 CA TYR A 59 8.281 -2.773 14.168 1.00 10.00 C ATOM 936 C TYR A 59 7.351 -3.266 15.280 1.00 10.00 C ATOM 937 O TYR A 59 6.511 -2.523 15.787 1.00 10.00 O ATOM 938 CB TYR A 59 8.897 -1.400 14.472 1.00 10.00 C ATOM 939 CG TYR A 59 9.733 -0.833 13.338 1.00 10.00 C ATOM 940 CD1 TYR A 59 11.031 -1.324 13.088 1.00 10.00 C ATOM 941 CD2 TYR A 59 9.204 0.184 12.521 1.00 10.00 C ATOM 942 CE1 TYR A 59 11.800 -0.782 12.038 1.00 10.00 C ATOM 943 CE2 TYR A 59 9.969 0.733 11.484 1.00 10.00 C ATOM 944 CZ TYR A 59 11.275 0.259 11.239 1.00 10.00 C ATOM 945 OH TYR A 59 12.034 0.809 10.252 1.00 10.00 O ATOM 0 H TYR A 59 7.041 -1.851 12.747 1.00 10.00 H new ATOM 0 HA TYR A 59 9.117 -3.468 14.089 1.00 10.00 H new ATOM 0 HB2 TYR A 59 8.097 -0.698 14.706 1.00 10.00 H new ATOM 0 HB3 TYR A 59 9.520 -1.482 15.363 1.00 10.00 H new ATOM 0 HD1 TYR A 59 11.436 -2.115 13.701 1.00 10.00 H new ATOM 0 HD2 TYR A 59 8.201 0.544 12.695 1.00 10.00 H new ATOM 0 HE1 TYR A 59 12.792 -1.163 11.844 1.00 10.00 H new ATOM 0 HE2 TYR A 59 9.558 1.521 10.870 1.00 10.00 H new ATOM 0 HH TYR A 59 11.857 1.771 10.201 1.00 10.00 H new ATOM 955 N LEU A 60 7.517 -4.539 15.646 1.00 10.00 N ATOM 956 CA LEU A 60 6.850 -5.198 16.770 1.00 10.00 C ATOM 957 C LEU A 60 7.555 -4.910 18.098 1.00 10.00 C ATOM 958 O LEU A 60 8.767 -4.703 18.142 1.00 10.00 O ATOM 959 CB LEU A 60 6.863 -6.723 16.531 1.00 10.00 C ATOM 960 CG LEU A 60 5.768 -7.199 15.560 1.00 10.00 C ATOM 961 CD1 LEU A 60 6.207 -8.454 14.804 1.00 10.00 C ATOM 962 CD2 LEU A 60 4.492 -7.535 16.340 1.00 10.00 C ATOM 0 H LEU A 60 8.147 -5.165 15.145 1.00 10.00 H new ATOM 0 HA LEU A 60 5.832 -4.813 16.831 1.00 10.00 H new ATOM 0 HB2 LEU A 60 7.838 -7.013 16.138 1.00 10.00 H new ATOM 0 HB3 LEU A 60 6.739 -7.234 17.486 1.00 10.00 H new ATOM 0 HG LEU A 60 5.585 -6.394 14.848 1.00 10.00 H new ATOM 0 HD11 LEU A 60 5.413 -8.767 14.126 1.00 10.00 H new ATOM 0 HD12 LEU A 60 7.109 -8.237 14.232 1.00 10.00 H new ATOM 0 HD13 LEU A 60 6.412 -9.254 15.515 1.00 10.00 H new ATOM 0 HD21 LEU A 60 3.720 -7.871 15.648 1.00 10.00 H new ATOM 0 HD22 LEU A 60 4.703 -8.326 17.060 1.00 10.00 H new ATOM 0 HD23 LEU A 60 4.144 -6.647 16.868 1.00 10.00 H new ATOM 974 N ASP A 61 6.776 -4.936 19.180 1.00 10.00 N ATOM 975 CA ASP A 61 7.289 -4.972 20.549 1.00 10.00 C ATOM 976 C ASP A 61 8.094 -6.272 20.733 1.00 10.00 C ATOM 977 O ASP A 61 7.634 -7.352 20.351 1.00 10.00 O ATOM 978 CB ASP A 61 6.088 -4.898 21.508 1.00 10.00 C ATOM 979 CG ASP A 61 6.487 -4.910 22.986 1.00 10.00 C ATOM 980 OD1 ASP A 61 7.038 -5.945 23.423 1.00 10.00 O ATOM 981 OD2 ASP A 61 6.203 -3.902 23.670 1.00 10.00 O ATOM 0 H ASP A 61 5.757 -4.933 19.129 1.00 10.00 H new ATOM 0 HA ASP A 61 7.951 -4.132 20.759 1.00 10.00 H new ATOM 0 HB2 ASP A 61 5.522 -3.990 21.300 1.00 10.00 H new ATOM 0 HB3 ASP A 61 5.424 -5.740 21.312 1.00 10.00 H new ATOM 986 N GLU A 62 9.290 -6.185 21.323 1.00 10.00 N ATOM 987 CA GLU A 62 10.208 -7.317 21.487 1.00 10.00 C ATOM 988 C GLU A 62 9.693 -8.444 22.406 1.00 10.00 C ATOM 989 O GLU A 62 10.333 -9.493 22.482 1.00 10.00 O ATOM 990 CB GLU A 62 11.601 -6.817 21.924 1.00 10.00 C ATOM 991 CG GLU A 62 11.638 -6.010 23.236 1.00 10.00 C ATOM 992 CD GLU A 62 11.585 -4.492 22.998 1.00 10.00 C ATOM 993 OE1 GLU A 62 10.606 -4.036 22.365 1.00 10.00 O ATOM 994 OE2 GLU A 62 12.535 -3.808 23.442 1.00 10.00 O ATOM 0 H GLU A 62 9.654 -5.312 21.706 1.00 10.00 H new ATOM 0 HA GLU A 62 10.281 -7.785 20.505 1.00 10.00 H new ATOM 0 HB2 GLU A 62 12.260 -7.679 22.030 1.00 10.00 H new ATOM 0 HB3 GLU A 62 12.012 -6.198 21.126 1.00 10.00 H new ATOM 0 HG2 GLU A 62 10.797 -6.305 23.864 1.00 10.00 H new ATOM 0 HG3 GLU A 62 12.547 -6.257 23.784 1.00 10.00 H new ATOM 1001 N LEU A 63 8.539 -8.272 23.069 1.00 10.00 N ATOM 1002 CA LEU A 63 7.838 -9.331 23.799 1.00 10.00 C ATOM 1003 C LEU A 63 6.783 -10.064 22.936 1.00 10.00 C ATOM 1004 O LEU A 63 6.253 -11.079 23.386 1.00 10.00 O ATOM 1005 CB LEU A 63 7.252 -8.702 25.081 1.00 10.00 C ATOM 1006 CG LEU A 63 6.753 -9.714 26.135 1.00 10.00 C ATOM 1007 CD1 LEU A 63 7.242 -9.326 27.535 1.00 10.00 C ATOM 1008 CD2 LEU A 63 5.221 -9.775 26.185 1.00 10.00 C ATOM 0 H LEU A 63 8.060 -7.373 23.111 1.00 10.00 H new ATOM 0 HA LEU A 63 8.539 -10.121 24.070 1.00 10.00 H new ATOM 0 HB2 LEU A 63 8.013 -8.070 25.538 1.00 10.00 H new ATOM 0 HB3 LEU A 63 6.423 -8.052 24.802 1.00 10.00 H new ATOM 0 HG LEU A 63 7.151 -10.685 25.841 1.00 10.00 H new ATOM 0 HD11 LEU A 63 6.879 -10.053 28.262 1.00 10.00 H new ATOM 0 HD12 LEU A 63 8.332 -9.313 27.549 1.00 10.00 H new ATOM 0 HD13 LEU A 63 6.864 -8.336 27.791 1.00 10.00 H new ATOM 0 HD21 LEU A 63 4.910 -10.498 26.939 1.00 10.00 H new ATOM 0 HD22 LEU A 63 4.826 -8.792 26.441 1.00 10.00 H new ATOM 0 HD23 LEU A 63 4.837 -10.078 25.211 1.00 10.00 H new ATOM 1020 N SER A 64 6.494 -9.606 21.706 1.00 10.00 N ATOM 1021 CA SER A 64 5.522 -10.238 20.796 1.00 10.00 C ATOM 1022 C SER A 64 6.198 -11.008 19.646 1.00 10.00 C ATOM 1023 O SER A 64 7.404 -10.909 19.426 1.00 10.00 O ATOM 1024 CB SER A 64 4.516 -9.196 20.284 1.00 10.00 C ATOM 1025 OG SER A 64 3.449 -9.853 19.620 1.00 10.00 O ATOM 0 H SER A 64 6.934 -8.776 21.310 1.00 10.00 H new ATOM 0 HA SER A 64 4.974 -10.988 21.367 1.00 10.00 H new ATOM 0 HB2 SER A 64 4.132 -8.606 21.116 1.00 10.00 H new ATOM 0 HB3 SER A 64 5.010 -8.503 19.603 1.00 10.00 H new ATOM 0 HG SER A 64 2.637 -9.309 19.688 1.00 10.00 H new ATOM 1031 N ASP A 65 5.406 -11.812 18.927 1.00 10.00 N ATOM 1032 CA ASP A 65 5.851 -12.794 17.936 1.00 10.00 C ATOM 1033 C ASP A 65 4.704 -13.104 16.953 1.00 10.00 C ATOM 1034 O ASP A 65 3.816 -13.905 17.242 1.00 10.00 O ATOM 1035 CB ASP A 65 6.350 -14.060 18.664 1.00 10.00 C ATOM 1036 CG ASP A 65 6.993 -15.085 17.723 1.00 10.00 C ATOM 1037 OD1 ASP A 65 7.643 -14.645 16.748 1.00 10.00 O ATOM 1038 OD2 ASP A 65 6.869 -16.295 18.019 1.00 10.00 O ATOM 0 H ASP A 65 4.391 -11.793 19.026 1.00 10.00 H new ATOM 0 HA ASP A 65 6.679 -12.393 17.352 1.00 10.00 H new ATOM 0 HB2 ASP A 65 7.074 -13.771 19.426 1.00 10.00 H new ATOM 0 HB3 ASP A 65 5.512 -14.527 19.182 1.00 10.00 H new ATOM 1043 N ALA A 66 4.693 -12.404 15.813 1.00 10.00 N ATOM 1044 CA ALA A 66 3.702 -12.552 14.743 1.00 10.00 C ATOM 1045 C ALA A 66 4.175 -13.517 13.630 1.00 10.00 C ATOM 1046 O ALA A 66 5.243 -14.120 13.722 1.00 10.00 O ATOM 1047 CB ALA A 66 3.376 -11.153 14.201 1.00 10.00 C ATOM 0 H ALA A 66 5.397 -11.696 15.604 1.00 10.00 H new ATOM 0 HA ALA A 66 2.798 -13.009 15.145 1.00 10.00 H new ATOM 0 HB1 ALA A 66 2.639 -11.235 13.402 1.00 10.00 H new ATOM 0 HB2 ALA A 66 2.973 -10.536 15.004 1.00 10.00 H new ATOM 0 HB3 ALA A 66 4.284 -10.693 13.811 1.00 10.00 H new ATOM 1053 N ASP A 67 3.418 -13.634 12.532 1.00 10.00 N ATOM 1054 CA ASP A 67 3.650 -14.688 11.540 1.00 10.00 C ATOM 1055 C ASP A 67 4.726 -14.282 10.503 1.00 10.00 C ATOM 1056 O ASP A 67 4.793 -13.111 10.107 1.00 10.00 O ATOM 1057 CB ASP A 67 2.332 -14.975 10.800 1.00 10.00 C ATOM 1058 CG ASP A 67 1.204 -15.389 11.747 1.00 10.00 C ATOM 1059 OD1 ASP A 67 0.665 -14.480 12.419 1.00 10.00 O ATOM 1060 OD2 ASP A 67 0.899 -16.602 11.779 1.00 10.00 O ATOM 0 H ASP A 67 2.641 -13.012 12.309 1.00 10.00 H new ATOM 0 HA ASP A 67 4.006 -15.573 12.068 1.00 10.00 H new ATOM 0 HB2 ASP A 67 2.029 -14.086 10.247 1.00 10.00 H new ATOM 0 HB3 ASP A 67 2.495 -15.766 10.068 1.00 10.00 H new ATOM 1065 N PRO A 68 5.556 -15.243 10.024 1.00 10.00 N ATOM 1066 CA PRO A 68 6.769 -15.024 9.213 1.00 10.00 C ATOM 1067 C PRO A 68 6.503 -14.614 7.745 1.00 10.00 C ATOM 1068 O PRO A 68 7.106 -15.127 6.805 1.00 10.00 O ATOM 1069 CB PRO A 68 7.578 -16.322 9.357 1.00 10.00 C ATOM 1070 CG PRO A 68 6.493 -17.382 9.498 1.00 10.00 C ATOM 1071 CD PRO A 68 5.458 -16.662 10.357 1.00 10.00 C ATOM 0 HA PRO A 68 7.324 -14.159 9.576 1.00 10.00 H new ATOM 0 HB2 PRO A 68 8.210 -16.503 8.488 1.00 10.00 H new ATOM 0 HB3 PRO A 68 8.233 -16.296 10.228 1.00 10.00 H new ATOM 0 HG2 PRO A 68 6.086 -17.680 8.532 1.00 10.00 H new ATOM 0 HG3 PRO A 68 6.866 -18.286 9.980 1.00 10.00 H new ATOM 0 HD2 PRO A 68 4.456 -17.039 10.154 1.00 10.00 H new ATOM 0 HD3 PRO A 68 5.652 -16.826 11.417 1.00 10.00 H new ATOM 1079 N GLY A 69 5.584 -13.668 7.565 1.00 10.00 N ATOM 1080 CA GLY A 69 5.192 -13.047 6.298 1.00 10.00 C ATOM 1081 C GLY A 69 4.062 -12.011 6.423 1.00 10.00 C ATOM 1082 O GLY A 69 3.551 -11.556 5.401 1.00 10.00 O ATOM 0 H GLY A 69 5.057 -13.288 8.352 1.00 10.00 H new ATOM 0 HA2 GLY A 69 6.065 -12.564 5.858 1.00 10.00 H new ATOM 0 HA3 GLY A 69 4.878 -13.828 5.606 1.00 10.00 H new ATOM 1086 N ILE A 70 3.666 -11.623 7.647 1.00 10.00 N ATOM 1087 CA ILE A 70 2.468 -10.818 7.911 1.00 10.00 C ATOM 1088 C ILE A 70 2.533 -9.379 7.359 1.00 10.00 C ATOM 1089 O ILE A 70 1.501 -8.734 7.179 1.00 10.00 O ATOM 1090 CB ILE A 70 2.191 -10.861 9.431 1.00 10.00 C ATOM 1091 CG1 ILE A 70 0.703 -10.633 9.741 1.00 10.00 C ATOM 1092 CG2 ILE A 70 3.083 -9.885 10.223 1.00 10.00 C ATOM 1093 CD1 ILE A 70 0.345 -11.067 11.166 1.00 10.00 C ATOM 0 H ILE A 70 4.181 -11.866 8.494 1.00 10.00 H new ATOM 0 HA ILE A 70 1.633 -11.256 7.363 1.00 10.00 H new ATOM 0 HB ILE A 70 2.452 -11.866 9.763 1.00 10.00 H new ATOM 0 HG12 ILE A 70 0.462 -9.578 9.611 1.00 10.00 H new ATOM 0 HG13 ILE A 70 0.094 -11.189 9.028 1.00 10.00 H new ATOM 0 HG21 ILE A 70 2.847 -9.956 11.285 1.00 10.00 H new ATOM 0 HG22 ILE A 70 4.131 -10.141 10.066 1.00 10.00 H new ATOM 0 HG23 ILE A 70 2.903 -8.867 9.879 1.00 10.00 H new ATOM 0 HD11 ILE A 70 -0.715 -10.889 11.345 1.00 10.00 H new ATOM 0 HD12 ILE A 70 0.561 -12.128 11.288 1.00 10.00 H new ATOM 0 HD13 ILE A 70 0.935 -10.492 11.880 1.00 10.00 H new ATOM 1105 N VAL A 71 3.743 -8.880 7.071 1.00 10.00 N ATOM 1106 CA VAL A 71 3.971 -7.609 6.371 1.00 10.00 C ATOM 1107 C VAL A 71 3.881 -7.819 4.863 1.00 10.00 C ATOM 1108 O VAL A 71 3.152 -7.106 4.184 1.00 10.00 O ATOM 1109 CB VAL A 71 5.362 -7.004 6.668 1.00 10.00 C ATOM 1110 CG1 VAL A 71 5.294 -5.477 6.570 1.00 10.00 C ATOM 1111 CG2 VAL A 71 5.961 -7.427 8.012 1.00 10.00 C ATOM 0 H VAL A 71 4.608 -9.358 7.323 1.00 10.00 H new ATOM 0 HA VAL A 71 3.203 -6.924 6.729 1.00 10.00 H new ATOM 0 HB VAL A 71 6.036 -7.405 5.911 1.00 10.00 H new ATOM 0 HG11 VAL A 71 6.277 -5.055 6.780 1.00 10.00 H new ATOM 0 HG12 VAL A 71 4.983 -5.190 5.565 1.00 10.00 H new ATOM 0 HG13 VAL A 71 4.574 -5.098 7.295 1.00 10.00 H new ATOM 0 HG21 VAL A 71 6.936 -6.957 8.140 1.00 10.00 H new ATOM 0 HG22 VAL A 71 5.299 -7.114 8.820 1.00 10.00 H new ATOM 0 HG23 VAL A 71 6.074 -8.511 8.035 1.00 10.00 H new ATOM 1121 N ASP A 72 4.609 -8.816 4.349 1.00 10.00 N ATOM 1122 CA ASP A 72 4.675 -9.156 2.924 1.00 10.00 C ATOM 1123 C ASP A 72 3.281 -9.417 2.339 1.00 10.00 C ATOM 1124 O ASP A 72 2.945 -8.896 1.273 1.00 10.00 O ATOM 1125 CB ASP A 72 5.601 -10.370 2.751 1.00 10.00 C ATOM 1126 CG ASP A 72 5.860 -10.688 1.278 1.00 10.00 C ATOM 1127 OD1 ASP A 72 6.480 -9.828 0.614 1.00 10.00 O ATOM 1128 OD2 ASP A 72 5.454 -11.790 0.848 1.00 10.00 O ATOM 0 H ASP A 72 5.185 -9.426 4.929 1.00 10.00 H new ATOM 0 HA ASP A 72 5.082 -8.311 2.369 1.00 10.00 H new ATOM 0 HB2 ASP A 72 6.549 -10.177 3.252 1.00 10.00 H new ATOM 0 HB3 ASP A 72 5.155 -11.238 3.236 1.00 10.00 H new ATOM 1133 N GLU A 73 2.424 -10.118 3.093 1.00 10.00 N ATOM 1134 CA GLU A 73 1.031 -10.333 2.703 1.00 10.00 C ATOM 1135 C GLU A 73 0.214 -9.032 2.633 1.00 10.00 C ATOM 1136 O GLU A 73 -0.688 -8.924 1.806 1.00 10.00 O ATOM 1137 CB GLU A 73 0.374 -11.372 3.623 1.00 10.00 C ATOM 1138 CG GLU A 73 -0.010 -10.905 5.026 1.00 10.00 C ATOM 1139 CD GLU A 73 -0.905 -11.937 5.725 1.00 10.00 C ATOM 1140 OE1 GLU A 73 -2.025 -12.185 5.234 1.00 10.00 O ATOM 1141 OE2 GLU A 73 -0.547 -12.431 6.818 1.00 10.00 O ATOM 0 H GLU A 73 2.677 -10.547 3.983 1.00 10.00 H new ATOM 0 HA GLU A 73 1.039 -10.725 1.686 1.00 10.00 H new ATOM 0 HB2 GLU A 73 -0.525 -11.742 3.130 1.00 10.00 H new ATOM 0 HB3 GLU A 73 1.055 -12.218 3.721 1.00 10.00 H new ATOM 0 HG2 GLU A 73 0.891 -10.740 5.617 1.00 10.00 H new ATOM 0 HG3 GLU A 73 -0.531 -9.949 4.965 1.00 10.00 H new ATOM 1148 N ALA A 74 0.553 -8.021 3.444 1.00 10.00 N ATOM 1149 CA ALA A 74 -0.056 -6.690 3.340 1.00 10.00 C ATOM 1150 C ALA A 74 0.392 -5.955 2.072 1.00 10.00 C ATOM 1151 O ALA A 74 -0.407 -5.247 1.455 1.00 10.00 O ATOM 1152 CB ALA A 74 0.270 -5.842 4.577 1.00 10.00 C ATOM 0 H ALA A 74 1.251 -8.102 4.184 1.00 10.00 H new ATOM 0 HA ALA A 74 -1.135 -6.837 3.282 1.00 10.00 H new ATOM 0 HB1 ALA A 74 -0.192 -4.860 4.477 1.00 10.00 H new ATOM 0 HB2 ALA A 74 -0.116 -6.336 5.469 1.00 10.00 H new ATOM 0 HB3 ALA A 74 1.350 -5.727 4.665 1.00 10.00 H new ATOM 1158 N VAL A 75 1.655 -6.133 1.666 1.00 10.00 N ATOM 1159 CA VAL A 75 2.172 -5.541 0.428 1.00 10.00 C ATOM 1160 C VAL A 75 1.545 -6.226 -0.793 1.00 10.00 C ATOM 1161 O VAL A 75 1.040 -5.532 -1.673 1.00 10.00 O ATOM 1162 CB VAL A 75 3.713 -5.551 0.374 1.00 10.00 C ATOM 1163 CG1 VAL A 75 4.183 -4.508 -0.642 1.00 10.00 C ATOM 1164 CG2 VAL A 75 4.352 -5.159 1.716 1.00 10.00 C ATOM 0 H VAL A 75 2.341 -6.686 2.181 1.00 10.00 H new ATOM 0 HA VAL A 75 1.880 -4.491 0.412 1.00 10.00 H new ATOM 0 HB VAL A 75 4.011 -6.566 0.111 1.00 10.00 H new ATOM 0 HG11 VAL A 75 5.272 -4.508 -0.687 1.00 10.00 H new ATOM 0 HG12 VAL A 75 3.780 -4.750 -1.625 1.00 10.00 H new ATOM 0 HG13 VAL A 75 3.833 -3.521 -0.339 1.00 10.00 H new ATOM 0 HG21 VAL A 75 5.438 -5.182 1.623 1.00 10.00 H new ATOM 0 HG22 VAL A 75 4.033 -4.154 1.991 1.00 10.00 H new ATOM 0 HG23 VAL A 75 4.039 -5.863 2.487 1.00 10.00 H new ATOM 1174 N ASP A 76 1.452 -7.564 -0.805 1.00 10.00 N ATOM 1175 CA ASP A 76 0.682 -8.313 -1.808 1.00 10.00 C ATOM 1176 C ASP A 76 -0.795 -7.898 -1.803 1.00 10.00 C ATOM 1177 O ASP A 76 -1.359 -7.686 -2.873 1.00 10.00 O ATOM 1178 CB ASP A 76 0.810 -9.826 -1.582 1.00 10.00 C ATOM 1179 CG ASP A 76 0.058 -10.607 -2.669 1.00 10.00 C ATOM 1180 OD1 ASP A 76 0.508 -10.547 -3.835 1.00 10.00 O ATOM 1181 OD2 ASP A 76 -0.974 -11.232 -2.336 1.00 10.00 O ATOM 0 H ASP A 76 1.911 -8.159 -0.116 1.00 10.00 H new ATOM 0 HA ASP A 76 1.099 -8.072 -2.786 1.00 10.00 H new ATOM 0 HB2 ASP A 76 1.862 -10.111 -1.586 1.00 10.00 H new ATOM 0 HB3 ASP A 76 0.413 -10.086 -0.601 1.00 10.00 H new ATOM 1186 N ALA A 77 -1.398 -7.653 -0.634 1.00 10.00 N ATOM 1187 CA ALA A 77 -2.769 -7.154 -0.568 1.00 10.00 C ATOM 1188 C ALA A 77 -2.879 -5.770 -1.227 1.00 10.00 C ATOM 1189 O ALA A 77 -3.775 -5.576 -2.046 1.00 10.00 O ATOM 1190 CB ALA A 77 -3.265 -7.140 0.883 1.00 10.00 C ATOM 0 H ALA A 77 -0.956 -7.793 0.275 1.00 10.00 H new ATOM 0 HA ALA A 77 -3.415 -7.829 -1.129 1.00 10.00 H new ATOM 0 HB1 ALA A 77 -4.288 -6.765 0.914 1.00 10.00 H new ATOM 0 HB2 ALA A 77 -3.237 -8.152 1.287 1.00 10.00 H new ATOM 0 HB3 ALA A 77 -2.623 -6.493 1.481 1.00 10.00 H new ATOM 1196 N ALA A 78 -1.936 -4.846 -0.981 1.00 10.00 N ATOM 1197 CA ALA A 78 -1.872 -3.582 -1.721 1.00 10.00 C ATOM 1198 C ALA A 78 -1.707 -3.790 -3.235 1.00 10.00 C ATOM 1199 O ALA A 78 -2.413 -3.139 -4.007 1.00 10.00 O ATOM 1200 CB ALA A 78 -0.772 -2.679 -1.144 1.00 10.00 C ATOM 0 H ALA A 78 -1.208 -4.954 -0.274 1.00 10.00 H new ATOM 0 HA ALA A 78 -2.830 -3.079 -1.593 1.00 10.00 H new ATOM 0 HB1 ALA A 78 -0.737 -1.745 -1.704 1.00 10.00 H new ATOM 0 HB2 ALA A 78 -0.988 -2.467 -0.097 1.00 10.00 H new ATOM 0 HB3 ALA A 78 0.191 -3.184 -1.221 1.00 10.00 H new ATOM 1206 N TYR A 79 -0.846 -4.719 -3.673 1.00 10.00 N ATOM 1207 CA TYR A 79 -0.685 -5.019 -5.098 1.00 10.00 C ATOM 1208 C TYR A 79 -1.953 -5.622 -5.730 1.00 10.00 C ATOM 1209 O TYR A 79 -2.354 -5.175 -6.804 1.00 10.00 O ATOM 1210 CB TYR A 79 0.502 -5.979 -5.296 1.00 10.00 C ATOM 1211 CG TYR A 79 1.886 -5.377 -5.108 1.00 10.00 C ATOM 1212 CD1 TYR A 79 2.312 -4.352 -5.979 1.00 10.00 C ATOM 1213 CD2 TYR A 79 2.773 -5.882 -4.132 1.00 10.00 C ATOM 1214 CE1 TYR A 79 3.613 -3.826 -5.882 1.00 10.00 C ATOM 1215 CE2 TYR A 79 4.086 -5.376 -4.052 1.00 10.00 C ATOM 1216 CZ TYR A 79 4.506 -4.344 -4.919 1.00 10.00 C ATOM 1217 OH TYR A 79 5.774 -3.857 -4.833 1.00 10.00 O ATOM 0 H TYR A 79 -0.251 -5.275 -3.059 1.00 10.00 H new ATOM 0 HA TYR A 79 -0.495 -4.073 -5.604 1.00 10.00 H new ATOM 0 HB2 TYR A 79 0.391 -6.810 -4.599 1.00 10.00 H new ATOM 0 HB3 TYR A 79 0.443 -6.396 -6.301 1.00 10.00 H new ATOM 0 HD1 TYR A 79 1.634 -3.968 -6.726 1.00 10.00 H new ATOM 0 HD2 TYR A 79 2.447 -6.653 -3.450 1.00 10.00 H new ATOM 0 HE1 TYR A 79 3.927 -3.030 -6.541 1.00 10.00 H new ATOM 0 HE2 TYR A 79 4.774 -5.780 -3.324 1.00 10.00 H new ATOM 0 HH TYR A 79 6.255 -4.322 -4.117 1.00 10.00 H new ATOM 1227 N ARG A 80 -2.635 -6.568 -5.066 1.00 10.00 N ATOM 1228 CA ARG A 80 -3.883 -7.183 -5.562 1.00 10.00 C ATOM 1229 C ARG A 80 -5.089 -6.230 -5.486 1.00 10.00 C ATOM 1230 O ARG A 80 -5.997 -6.276 -6.328 1.00 10.00 O ATOM 1231 CB ARG A 80 -4.128 -8.540 -4.878 1.00 10.00 C ATOM 1232 CG ARG A 80 -2.918 -9.495 -5.016 1.00 10.00 C ATOM 1233 CD ARG A 80 -3.271 -10.911 -5.474 1.00 10.00 C ATOM 1234 NE ARG A 80 -3.611 -10.959 -6.910 1.00 10.00 N ATOM 1235 CZ ARG A 80 -3.789 -12.038 -7.654 1.00 10.00 C ATOM 1236 NH1 ARG A 80 -3.699 -13.244 -7.139 1.00 10.00 N ATOM 1237 NH2 ARG A 80 -4.059 -11.937 -8.933 1.00 10.00 N ATOM 0 H ARG A 80 -2.336 -6.933 -4.162 1.00 10.00 H new ATOM 0 HA ARG A 80 -3.757 -7.381 -6.627 1.00 10.00 H new ATOM 0 HB2 ARG A 80 -4.342 -8.378 -3.821 1.00 10.00 H new ATOM 0 HB3 ARG A 80 -5.010 -9.010 -5.313 1.00 10.00 H new ATOM 0 HG2 ARG A 80 -2.211 -9.064 -5.725 1.00 10.00 H new ATOM 0 HG3 ARG A 80 -2.408 -9.555 -4.054 1.00 10.00 H new ATOM 0 HD2 ARG A 80 -2.430 -11.576 -5.278 1.00 10.00 H new ATOM 0 HD3 ARG A 80 -4.113 -11.282 -4.889 1.00 10.00 H new ATOM 0 HE ARG A 80 -3.721 -10.061 -7.380 1.00 10.00 H new ATOM 0 HH11 ARG A 80 -3.488 -13.361 -6.148 1.00 10.00 H new ATOM 0 HH12 ARG A 80 -3.840 -14.063 -7.730 1.00 10.00 H new ATOM 0 HH21 ARG A 80 -4.134 -11.017 -9.367 1.00 10.00 H new ATOM 0 HH22 ARG A 80 -4.194 -12.778 -9.494 1.00 10.00 H new ATOM 1251 N SER A 81 -5.084 -5.313 -4.511 1.00 10.00 N ATOM 1252 CA SER A 81 -6.025 -4.195 -4.477 1.00 10.00 C ATOM 1253 C SER A 81 -5.755 -3.237 -5.639 1.00 10.00 C ATOM 1254 O SER A 81 -6.705 -2.873 -6.320 1.00 10.00 O ATOM 1255 CB SER A 81 -5.956 -3.444 -3.144 1.00 10.00 C ATOM 1256 OG SER A 81 -6.553 -4.205 -2.114 1.00 10.00 O ATOM 0 H SER A 81 -4.430 -5.328 -3.729 1.00 10.00 H new ATOM 0 HA SER A 81 -7.030 -4.604 -4.579 1.00 10.00 H new ATOM 0 HB2 SER A 81 -4.917 -3.233 -2.892 1.00 10.00 H new ATOM 0 HB3 SER A 81 -6.463 -2.483 -3.235 1.00 10.00 H new ATOM 0 HG SER A 81 -5.917 -4.878 -1.794 1.00 10.00 H new ATOM 1262 N LEU A 82 -4.493 -2.881 -5.926 1.00 10.00 N ATOM 1263 CA LEU A 82 -4.130 -2.047 -7.080 1.00 10.00 C ATOM 1264 C LEU A 82 -4.486 -2.701 -8.422 1.00 10.00 C ATOM 1265 O LEU A 82 -5.022 -2.037 -9.306 1.00 10.00 O ATOM 1266 CB LEU A 82 -2.629 -1.727 -7.024 1.00 10.00 C ATOM 1267 CG LEU A 82 -2.158 -0.694 -8.068 1.00 10.00 C ATOM 1268 CD1 LEU A 82 -2.869 0.660 -7.948 1.00 10.00 C ATOM 1269 CD2 LEU A 82 -0.652 -0.471 -7.916 1.00 10.00 C ATOM 0 H LEU A 82 -3.693 -3.165 -5.361 1.00 10.00 H new ATOM 0 HA LEU A 82 -4.713 -1.128 -7.018 1.00 10.00 H new ATOM 0 HB2 LEU A 82 -2.386 -1.356 -6.028 1.00 10.00 H new ATOM 0 HB3 LEU A 82 -2.068 -2.650 -7.166 1.00 10.00 H new ATOM 0 HG LEU A 82 -2.405 -1.105 -9.047 1.00 10.00 H new ATOM 0 HD11 LEU A 82 -2.490 1.339 -8.712 1.00 10.00 H new ATOM 0 HD12 LEU A 82 -3.941 0.521 -8.085 1.00 10.00 H new ATOM 0 HD13 LEU A 82 -2.682 1.083 -6.961 1.00 10.00 H new ATOM 0 HD21 LEU A 82 -0.316 0.259 -8.653 1.00 10.00 H new ATOM 0 HD22 LEU A 82 -0.439 -0.099 -6.914 1.00 10.00 H new ATOM 0 HD23 LEU A 82 -0.127 -1.413 -8.073 1.00 10.00 H new ATOM 1281 N GLU A 83 -4.266 -4.014 -8.534 1.00 10.00 N ATOM 1282 CA GLU A 83 -4.607 -4.834 -9.702 1.00 10.00 C ATOM 1283 C GLU A 83 -6.111 -4.760 -9.998 1.00 10.00 C ATOM 1284 O GLU A 83 -6.503 -4.685 -11.158 1.00 10.00 O ATOM 1285 CB GLU A 83 -4.182 -6.271 -9.353 1.00 10.00 C ATOM 1286 CG GLU A 83 -4.480 -7.382 -10.369 1.00 10.00 C ATOM 1287 CD GLU A 83 -4.174 -8.778 -9.792 1.00 10.00 C ATOM 1288 OE1 GLU A 83 -3.789 -8.904 -8.608 1.00 10.00 O ATOM 1289 OE2 GLU A 83 -4.343 -9.787 -10.509 1.00 10.00 O ATOM 0 H GLU A 83 -3.830 -4.555 -7.788 1.00 10.00 H new ATOM 0 HA GLU A 83 -4.098 -4.481 -10.599 1.00 10.00 H new ATOM 0 HB2 GLU A 83 -3.107 -6.266 -9.171 1.00 10.00 H new ATOM 0 HB3 GLU A 83 -4.663 -6.542 -8.413 1.00 10.00 H new ATOM 0 HG2 GLU A 83 -5.528 -7.332 -10.666 1.00 10.00 H new ATOM 0 HG3 GLU A 83 -3.886 -7.222 -11.269 1.00 10.00 H new ATOM 1296 N SER A 84 -6.934 -4.696 -8.944 1.00 10.00 N ATOM 1297 CA SER A 84 -8.386 -4.528 -9.030 1.00 10.00 C ATOM 1298 C SER A 84 -8.802 -3.054 -9.210 1.00 10.00 C ATOM 1299 O SER A 84 -9.762 -2.752 -9.913 1.00 10.00 O ATOM 1300 CB SER A 84 -9.029 -5.085 -7.749 1.00 10.00 C ATOM 1301 OG SER A 84 -8.528 -6.369 -7.393 1.00 10.00 O ATOM 0 H SER A 84 -6.597 -4.762 -7.983 1.00 10.00 H new ATOM 0 HA SER A 84 -8.731 -5.072 -9.910 1.00 10.00 H new ATOM 0 HB2 SER A 84 -8.852 -4.391 -6.928 1.00 10.00 H new ATOM 0 HB3 SER A 84 -10.108 -5.147 -7.887 1.00 10.00 H new ATOM 0 HG SER A 84 -7.653 -6.271 -6.963 1.00 10.00 H new ATOM 1307 N PHE A 85 -8.080 -2.116 -8.584 1.00 10.00 N ATOM 1308 CA PHE A 85 -8.391 -0.683 -8.547 1.00 10.00 C ATOM 1309 C PHE A 85 -8.460 -0.047 -9.939 1.00 10.00 C ATOM 1310 O PHE A 85 -9.346 0.775 -10.180 1.00 10.00 O ATOM 1311 CB PHE A 85 -7.330 0.014 -7.681 1.00 10.00 C ATOM 1312 CG PHE A 85 -7.432 1.520 -7.538 1.00 10.00 C ATOM 1313 CD1 PHE A 85 -6.857 2.361 -8.510 1.00 10.00 C ATOM 1314 CD2 PHE A 85 -8.013 2.084 -6.387 1.00 10.00 C ATOM 1315 CE1 PHE A 85 -6.832 3.753 -8.316 1.00 10.00 C ATOM 1316 CE2 PHE A 85 -7.987 3.476 -6.190 1.00 10.00 C ATOM 1317 CZ PHE A 85 -7.388 4.310 -7.150 1.00 10.00 C ATOM 0 H PHE A 85 -7.230 -2.345 -8.069 1.00 10.00 H new ATOM 0 HA PHE A 85 -9.385 -0.558 -8.118 1.00 10.00 H new ATOM 0 HB2 PHE A 85 -7.368 -0.423 -6.683 1.00 10.00 H new ATOM 0 HB3 PHE A 85 -6.349 -0.220 -8.095 1.00 10.00 H new ATOM 0 HD1 PHE A 85 -6.434 1.935 -9.408 1.00 10.00 H new ATOM 0 HD2 PHE A 85 -8.481 1.445 -5.652 1.00 10.00 H new ATOM 0 HE1 PHE A 85 -6.386 4.395 -9.062 1.00 10.00 H new ATOM 0 HE2 PHE A 85 -8.427 3.904 -5.302 1.00 10.00 H new ATOM 0 HZ PHE A 85 -7.355 5.378 -6.992 1.00 10.00 H new ATOM 1327 N LEU A 86 -7.567 -0.432 -10.863 1.00 10.00 N ATOM 1328 CA LEU A 86 -7.582 0.096 -12.233 1.00 10.00 C ATOM 1329 C LEU A 86 -8.892 -0.197 -12.970 1.00 10.00 C ATOM 1330 O LEU A 86 -9.317 0.636 -13.775 1.00 10.00 O ATOM 1331 CB LEU A 86 -6.392 -0.441 -13.052 1.00 10.00 C ATOM 1332 CG LEU A 86 -5.057 0.329 -12.940 1.00 10.00 C ATOM 1333 CD1 LEU A 86 -5.199 1.830 -13.224 1.00 10.00 C ATOM 1334 CD2 LEU A 86 -4.368 0.152 -11.586 1.00 10.00 C ATOM 0 H LEU A 86 -6.825 -1.108 -10.685 1.00 10.00 H new ATOM 0 HA LEU A 86 -7.494 1.178 -12.137 1.00 10.00 H new ATOM 0 HB2 LEU A 86 -6.213 -1.474 -12.752 1.00 10.00 H new ATOM 0 HB3 LEU A 86 -6.685 -0.460 -14.102 1.00 10.00 H new ATOM 0 HG LEU A 86 -4.434 -0.120 -13.713 1.00 10.00 H new ATOM 0 HD11 LEU A 86 -4.226 2.312 -13.129 1.00 10.00 H new ATOM 0 HD12 LEU A 86 -5.578 1.975 -14.236 1.00 10.00 H new ATOM 0 HD13 LEU A 86 -5.894 2.271 -12.510 1.00 10.00 H new ATOM 0 HD21 LEU A 86 -3.437 0.719 -11.575 1.00 10.00 H new ATOM 0 HD22 LEU A 86 -5.023 0.515 -10.794 1.00 10.00 H new ATOM 0 HD23 LEU A 86 -4.152 -0.904 -11.423 1.00 10.00 H new