USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=19 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 -79:sc= 0.996 USER MOD Single : A 15 SER OG : rot 77:sc= 1.11 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 HIS :FLIP no HD1:sc= -0.0617 F(o=-0.62,f=-0.062) USER MOD Single : A 20 ASN : amide:sc= -0.122 X(o=-0.12,f=-0.2) USER MOD Single : A 21 THR OG1 : rot 91:sc= 1.32 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -145:sc= 1.23 (180deg=-1.36) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 154:sc= 1.19 (180deg=0.985) 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 48:sc= 1.03 USER MOD Single : A 51 LYS NZ :NH3+ -178:sc= 1.32 (180deg=1.21) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 140:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 68:sc= 1.1 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 94 N LEU A 6 -4.217 12.033 -14.330 1.00 10.00 N ATOM 95 CA LEU A 6 -3.328 11.785 -13.198 1.00 10.00 C ATOM 96 C LEU A 6 -2.244 12.868 -13.088 1.00 10.00 C ATOM 97 O LEU A 6 -1.491 13.116 -14.029 1.00 10.00 O ATOM 98 CB LEU A 6 -2.695 10.387 -13.333 1.00 10.00 C ATOM 99 CG LEU A 6 -3.681 9.205 -13.230 1.00 10.00 C ATOM 100 CD1 LEU A 6 -2.922 7.890 -13.426 1.00 10.00 C ATOM 101 CD2 LEU A 6 -4.399 9.151 -11.877 1.00 10.00 C ATOM 0 HA LEU A 6 -3.916 11.823 -12.281 1.00 10.00 H new ATOM 0 HB2 LEU A 6 -2.183 10.329 -14.294 1.00 10.00 H new ATOM 0 HB3 LEU A 6 -1.935 10.274 -12.560 1.00 10.00 H new ATOM 0 HG LEU A 6 -4.433 9.349 -14.006 1.00 10.00 H new ATOM 0 HD11 LEU A 6 -3.618 7.054 -13.353 1.00 10.00 H new ATOM 0 HD12 LEU A 6 -2.450 7.885 -14.409 1.00 10.00 H new ATOM 0 HD13 LEU A 6 -2.157 7.793 -12.656 1.00 10.00 H new ATOM 0 HD21 LEU A 6 -5.080 8.300 -11.860 1.00 10.00 H new ATOM 0 HD22 LEU A 6 -3.664 9.043 -11.079 1.00 10.00 H new ATOM 0 HD23 LEU A 6 -4.964 10.071 -11.728 1.00 10.00 H new ATOM 113 N THR A 7 -2.163 13.479 -11.905 1.00 10.00 N ATOM 114 CA THR A 7 -1.208 14.518 -11.514 1.00 10.00 C ATOM 115 C THR A 7 -0.454 14.094 -10.249 1.00 10.00 C ATOM 116 O THR A 7 -0.750 13.056 -9.655 1.00 10.00 O ATOM 117 CB THR A 7 -1.935 15.852 -11.238 1.00 10.00 C ATOM 118 OG1 THR A 7 -2.699 15.779 -10.050 1.00 10.00 O ATOM 119 CG2 THR A 7 -2.839 16.319 -12.379 1.00 10.00 C ATOM 0 H THR A 7 -2.803 13.247 -11.146 1.00 10.00 H new ATOM 0 HA THR A 7 -0.505 14.654 -12.336 1.00 10.00 H new ATOM 0 HB THR A 7 -1.138 16.588 -11.135 1.00 10.00 H new ATOM 0 HG1 THR A 7 -3.540 15.309 -10.230 1.00 10.00 H new ATOM 0 HG21 THR A 7 -3.312 17.262 -12.106 1.00 10.00 H new ATOM 0 HG22 THR A 7 -2.243 16.460 -13.281 1.00 10.00 H new ATOM 0 HG23 THR A 7 -3.607 15.568 -12.565 1.00 10.00 H new ATOM 127 N GLU A 8 0.478 14.931 -9.784 1.00 10.00 N ATOM 128 CA GLU A 8 1.143 14.773 -8.485 1.00 10.00 C ATOM 129 C GLU A 8 0.144 14.543 -7.337 1.00 10.00 C ATOM 130 O GLU A 8 0.412 13.727 -6.459 1.00 10.00 O ATOM 131 CB GLU A 8 1.995 16.020 -8.199 1.00 10.00 C ATOM 132 CG GLU A 8 3.143 16.202 -9.204 1.00 10.00 C ATOM 133 CD GLU A 8 3.785 17.583 -9.050 1.00 10.00 C ATOM 134 OE1 GLU A 8 3.245 18.528 -9.669 1.00 10.00 O ATOM 135 OE2 GLU A 8 4.794 17.679 -8.317 1.00 10.00 O ATOM 0 H GLU A 8 0.797 15.748 -10.305 1.00 10.00 H new ATOM 0 HA GLU A 8 1.774 13.886 -8.539 1.00 10.00 H new ATOM 0 HB2 GLU A 8 1.356 16.903 -8.220 1.00 10.00 H new ATOM 0 HB3 GLU A 8 2.407 15.949 -7.193 1.00 10.00 H new ATOM 0 HG2 GLU A 8 3.894 15.427 -9.049 1.00 10.00 H new ATOM 0 HG3 GLU A 8 2.766 16.082 -10.220 1.00 10.00 H new ATOM 142 N GLY A 9 -1.032 15.190 -7.377 1.00 10.00 N ATOM 143 CA GLY A 9 -2.081 15.014 -6.373 1.00 10.00 C ATOM 144 C GLY A 9 -2.754 13.642 -6.445 1.00 10.00 C ATOM 145 O GLY A 9 -2.983 13.014 -5.416 1.00 10.00 O ATOM 0 H GLY A 9 -1.278 15.852 -8.113 1.00 10.00 H new ATOM 0 HA2 GLY A 9 -1.652 15.151 -5.380 1.00 10.00 H new ATOM 0 HA3 GLY A 9 -2.835 15.790 -6.504 1.00 10.00 H new ATOM 149 N ASP A 10 -3.039 13.149 -7.652 1.00 10.00 N ATOM 150 CA ASP A 10 -3.641 11.831 -7.866 1.00 10.00 C ATOM 151 C ASP A 10 -2.648 10.706 -7.529 1.00 10.00 C ATOM 152 O ASP A 10 -3.029 9.711 -6.916 1.00 10.00 O ATOM 153 CB ASP A 10 -4.132 11.704 -9.316 1.00 10.00 C ATOM 154 CG ASP A 10 -4.920 12.930 -9.789 1.00 10.00 C ATOM 155 OD1 ASP A 10 -4.235 13.918 -10.156 1.00 10.00 O ATOM 156 OD2 ASP A 10 -6.168 12.869 -9.805 1.00 10.00 O ATOM 0 H ASP A 10 -2.857 13.658 -8.517 1.00 10.00 H new ATOM 0 HA ASP A 10 -4.495 11.732 -7.196 1.00 10.00 H new ATOM 0 HB2 ASP A 10 -3.275 11.554 -9.973 1.00 10.00 H new ATOM 0 HB3 ASP A 10 -4.761 10.818 -9.405 1.00 10.00 H new ATOM 161 N LEU A 11 -1.366 10.878 -7.879 1.00 10.00 N ATOM 162 CA LEU A 11 -0.275 10.004 -7.437 1.00 10.00 C ATOM 163 C LEU A 11 -0.041 10.033 -5.918 1.00 10.00 C ATOM 164 O LEU A 11 0.194 8.970 -5.333 1.00 10.00 O ATOM 165 CB LEU A 11 1.012 10.301 -8.230 1.00 10.00 C ATOM 166 CG LEU A 11 1.096 9.656 -9.633 1.00 10.00 C ATOM 167 CD1 LEU A 11 -0.086 9.874 -10.581 1.00 10.00 C ATOM 168 CD2 LEU A 11 2.368 10.130 -10.343 1.00 10.00 C ATOM 0 H LEU A 11 -1.056 11.638 -8.485 1.00 10.00 H new ATOM 0 HA LEU A 11 -0.583 8.981 -7.655 1.00 10.00 H new ATOM 0 HB2 LEU A 11 1.109 11.381 -8.340 1.00 10.00 H new ATOM 0 HB3 LEU A 11 1.866 9.963 -7.643 1.00 10.00 H new ATOM 0 HG LEU A 11 1.091 8.588 -9.417 1.00 10.00 H new ATOM 0 HD11 LEU A 11 0.108 9.367 -11.526 1.00 10.00 H new ATOM 0 HD12 LEU A 11 -0.993 9.469 -10.131 1.00 10.00 H new ATOM 0 HD13 LEU A 11 -0.216 10.941 -10.761 1.00 10.00 H new ATOM 0 HD21 LEU A 11 2.424 9.674 -11.331 1.00 10.00 H new ATOM 0 HD22 LEU A 11 2.345 11.215 -10.445 1.00 10.00 H new ATOM 0 HD23 LEU A 11 3.241 9.839 -9.759 1.00 10.00 H new ATOM 180 N ASP A 12 -0.146 11.195 -5.263 1.00 10.00 N ATOM 181 CA ASP A 12 -0.145 11.278 -3.800 1.00 10.00 C ATOM 182 C ASP A 12 -1.366 10.564 -3.197 1.00 10.00 C ATOM 183 O ASP A 12 -1.196 9.741 -2.304 1.00 10.00 O ATOM 184 CB ASP A 12 -0.065 12.745 -3.351 1.00 10.00 C ATOM 185 CG ASP A 12 0.114 12.869 -1.836 1.00 10.00 C ATOM 186 OD1 ASP A 12 1.101 12.290 -1.328 1.00 10.00 O ATOM 187 OD2 ASP A 12 -0.722 13.555 -1.209 1.00 10.00 O ATOM 0 H ASP A 12 -0.233 12.098 -5.729 1.00 10.00 H new ATOM 0 HA ASP A 12 0.739 10.761 -3.426 1.00 10.00 H new ATOM 0 HB2 ASP A 12 0.768 13.234 -3.856 1.00 10.00 H new ATOM 0 HB3 ASP A 12 -0.973 13.267 -3.653 1.00 10.00 H new ATOM 192 N GLU A 13 -2.577 10.781 -3.728 1.00 10.00 N ATOM 193 CA GLU A 13 -3.788 10.079 -3.280 1.00 10.00 C ATOM 194 C GLU A 13 -3.719 8.561 -3.497 1.00 10.00 C ATOM 195 O GLU A 13 -4.116 7.811 -2.607 1.00 10.00 O ATOM 196 CB GLU A 13 -5.037 10.663 -3.961 1.00 10.00 C ATOM 197 CG GLU A 13 -5.539 11.947 -3.284 1.00 10.00 C ATOM 198 CD GLU A 13 -6.327 11.645 -1.999 1.00 10.00 C ATOM 199 OE1 GLU A 13 -5.685 11.269 -0.990 1.00 10.00 O ATOM 200 OE2 GLU A 13 -7.571 11.775 -2.045 1.00 10.00 O ATOM 0 H GLU A 13 -2.745 11.449 -4.481 1.00 10.00 H new ATOM 0 HA GLU A 13 -3.857 10.238 -2.204 1.00 10.00 H new ATOM 0 HB2 GLU A 13 -4.810 10.874 -5.006 1.00 10.00 H new ATOM 0 HB3 GLU A 13 -5.832 9.918 -3.951 1.00 10.00 H new ATOM 0 HG2 GLU A 13 -4.690 12.589 -3.047 1.00 10.00 H new ATOM 0 HG3 GLU A 13 -6.173 12.500 -3.978 1.00 10.00 H new ATOM 207 N ILE A 14 -3.161 8.078 -4.616 1.00 10.00 N ATOM 208 CA ILE A 14 -2.917 6.640 -4.825 1.00 10.00 C ATOM 209 C ILE A 14 -1.885 6.128 -3.812 1.00 10.00 C ATOM 210 O ILE A 14 -2.097 5.085 -3.195 1.00 10.00 O ATOM 211 CB ILE A 14 -2.481 6.373 -6.287 1.00 10.00 C ATOM 212 CG1 ILE A 14 -3.713 6.482 -7.217 1.00 10.00 C ATOM 213 CG2 ILE A 14 -1.807 4.995 -6.462 1.00 10.00 C ATOM 214 CD1 ILE A 14 -3.388 6.470 -8.718 1.00 10.00 C ATOM 0 H ILE A 14 -2.868 8.665 -5.397 1.00 10.00 H new ATOM 0 HA ILE A 14 -3.842 6.089 -4.659 1.00 10.00 H new ATOM 0 HB ILE A 14 -1.739 7.125 -6.553 1.00 10.00 H new ATOM 0 HG12 ILE A 14 -4.390 5.656 -6.999 1.00 10.00 H new ATOM 0 HG13 ILE A 14 -4.248 7.402 -6.982 1.00 10.00 H new ATOM 0 HG21 ILE A 14 -1.521 4.860 -7.505 1.00 10.00 H new ATOM 0 HG22 ILE A 14 -0.919 4.942 -5.833 1.00 10.00 H new ATOM 0 HG23 ILE A 14 -2.505 4.209 -6.172 1.00 10.00 H new ATOM 0 HD11 ILE A 14 -4.312 6.551 -9.291 1.00 10.00 H new ATOM 0 HD12 ILE A 14 -2.739 7.312 -8.956 1.00 10.00 H new ATOM 0 HD13 ILE A 14 -2.883 5.539 -8.973 1.00 10.00 H new ATOM 226 N SER A 15 -0.794 6.868 -3.595 1.00 10.00 N ATOM 227 CA SER A 15 0.252 6.491 -2.636 1.00 10.00 C ATOM 228 C SER A 15 -0.291 6.450 -1.198 1.00 10.00 C ATOM 229 O SER A 15 -0.020 5.504 -0.457 1.00 10.00 O ATOM 230 CB SER A 15 1.450 7.443 -2.759 1.00 10.00 C ATOM 231 OG SER A 15 1.891 7.512 -4.100 1.00 10.00 O ATOM 0 H SER A 15 -0.610 7.747 -4.079 1.00 10.00 H new ATOM 0 HA SER A 15 0.590 5.483 -2.875 1.00 10.00 H new ATOM 0 HB2 SER A 15 1.170 8.437 -2.410 1.00 10.00 H new ATOM 0 HB3 SER A 15 2.263 7.099 -2.120 1.00 10.00 H new ATOM 0 HG SER A 15 1.278 8.076 -4.617 1.00 10.00 H new ATOM 237 N SER A 16 -1.131 7.429 -0.841 1.00 10.00 N ATOM 238 CA SER A 16 -1.886 7.513 0.411 1.00 10.00 C ATOM 239 C SER A 16 -2.894 6.366 0.555 1.00 10.00 C ATOM 240 O SER A 16 -2.931 5.714 1.599 1.00 10.00 O ATOM 241 CB SER A 16 -2.609 8.868 0.430 1.00 10.00 C ATOM 242 OG SER A 16 -3.401 9.024 1.587 1.00 10.00 O ATOM 0 H SER A 16 -1.311 8.226 -1.452 1.00 10.00 H new ATOM 0 HA SER A 16 -1.198 7.427 1.252 1.00 10.00 H new ATOM 0 HB2 SER A 16 -1.875 9.672 0.381 1.00 10.00 H new ATOM 0 HB3 SER A 16 -3.238 8.957 -0.456 1.00 10.00 H new ATOM 0 HG SER A 16 -3.844 9.898 1.565 1.00 10.00 H new ATOM 248 N PHE A 17 -3.637 6.033 -0.510 1.00 10.00 N ATOM 249 CA PHE A 17 -4.562 4.896 -0.543 1.00 10.00 C ATOM 250 C PHE A 17 -3.834 3.564 -0.320 1.00 10.00 C ATOM 251 O PHE A 17 -4.307 2.728 0.456 1.00 10.00 O ATOM 252 CB PHE A 17 -5.317 4.911 -1.885 1.00 10.00 C ATOM 253 CG PHE A 17 -5.990 3.608 -2.280 1.00 10.00 C ATOM 254 CD1 PHE A 17 -7.028 3.078 -1.489 1.00 10.00 C ATOM 255 CD2 PHE A 17 -5.570 2.919 -3.436 1.00 10.00 C ATOM 256 CE1 PHE A 17 -7.639 1.865 -1.851 1.00 10.00 C ATOM 257 CE2 PHE A 17 -6.182 1.705 -3.798 1.00 10.00 C ATOM 258 CZ PHE A 17 -7.220 1.181 -3.006 1.00 10.00 C ATOM 0 H PHE A 17 -3.610 6.556 -1.385 1.00 10.00 H new ATOM 0 HA PHE A 17 -5.277 4.992 0.274 1.00 10.00 H new ATOM 0 HB2 PHE A 17 -6.076 5.692 -1.844 1.00 10.00 H new ATOM 0 HB3 PHE A 17 -4.616 5.189 -2.672 1.00 10.00 H new ATOM 0 HD1 PHE A 17 -7.355 3.604 -0.604 1.00 10.00 H new ATOM 0 HD2 PHE A 17 -4.776 3.324 -4.046 1.00 10.00 H new ATOM 0 HE1 PHE A 17 -8.432 1.458 -1.241 1.00 10.00 H new ATOM 0 HE2 PHE A 17 -5.856 1.177 -4.682 1.00 10.00 H new ATOM 0 HZ PHE A 17 -7.696 0.252 -3.285 1.00 10.00 H new ATOM 268 N LEU A 18 -2.666 3.377 -0.944 1.00 10.00 N ATOM 269 CA LEU A 18 -1.839 2.183 -0.763 1.00 10.00 C ATOM 270 C LEU A 18 -1.253 2.112 0.653 1.00 10.00 C ATOM 271 O LEU A 18 -1.400 1.084 1.312 1.00 10.00 O ATOM 272 CB LEU A 18 -0.745 2.163 -1.843 1.00 10.00 C ATOM 273 CG LEU A 18 -1.310 1.946 -3.261 1.00 10.00 C ATOM 274 CD1 LEU A 18 -0.256 2.304 -4.311 1.00 10.00 C ATOM 275 CD2 LEU A 18 -1.773 0.507 -3.485 1.00 10.00 C ATOM 0 H LEU A 18 -2.267 4.055 -1.593 1.00 10.00 H new ATOM 0 HA LEU A 18 -2.460 1.294 -0.877 1.00 10.00 H new ATOM 0 HB2 LEU A 18 -0.196 3.104 -1.815 1.00 10.00 H new ATOM 0 HB3 LEU A 18 -0.031 1.371 -1.616 1.00 10.00 H new ATOM 0 HG LEU A 18 -2.177 2.599 -3.361 1.00 10.00 H new ATOM 0 HD11 LEU A 18 -0.667 2.146 -5.308 1.00 10.00 H new ATOM 0 HD12 LEU A 18 0.030 3.350 -4.198 1.00 10.00 H new ATOM 0 HD13 LEU A 18 0.621 1.671 -4.176 1.00 10.00 H new ATOM 0 HD21 LEU A 18 -2.163 0.404 -4.498 1.00 10.00 H new ATOM 0 HD22 LEU A 18 -0.931 -0.171 -3.349 1.00 10.00 H new ATOM 0 HD23 LEU A 18 -2.556 0.261 -2.768 1.00 10.00 H new ATOM 287 N HIS A 19 -0.675 3.210 1.160 1.00 10.00 N ATOM 288 CA HIS A 19 -0.195 3.299 2.541 1.00 10.00 C ATOM 289 C HIS A 19 -1.313 2.983 3.547 1.00 10.00 C ATOM 290 O HIS A 19 -1.134 2.124 4.415 1.00 10.00 O ATOM 291 CB HIS A 19 0.413 4.694 2.767 1.00 10.00 C ATOM 292 CG HIS A 19 0.851 5.005 4.182 1.00 10.00 C ATOM 293 ND1 HIS A 19 1.144 4.121 5.188 1.00 10.00 N flip ATOM 294 CD2 HIS A 19 1.035 6.266 4.700 1.00 10.00 C flip ATOM 295 CE1 HIS A 19 1.500 4.847 6.326 1.00 10.00 C flip ATOM 296 NE2 HIS A 19 1.424 6.140 5.981 1.00 10.00 N flip ATOM 0 H HIS A 19 -0.528 4.063 0.620 1.00 10.00 H new ATOM 0 HA HIS A 19 0.578 2.549 2.707 1.00 10.00 H new ATOM 0 HB2 HIS A 19 1.275 4.804 2.109 1.00 10.00 H new ATOM 0 HB3 HIS A 19 -0.319 5.442 2.462 1.00 10.00 H new ATOM 0 HD2 HIS A 19 0.892 7.196 4.170 1.00 10.00 H new ATOM 0 HE1 HIS A 19 1.780 4.448 7.290 1.00 10.00 H new ATOM 0 HE2 HIS A 19 1.632 6.920 6.604 1.00 10.00 H new ATOM 304 N ASN A 20 -2.486 3.608 3.390 1.00 10.00 N ATOM 305 CA ASN A 20 -3.644 3.331 4.230 1.00 10.00 C ATOM 306 C ASN A 20 -4.090 1.863 4.118 1.00 10.00 C ATOM 307 O ASN A 20 -4.381 1.242 5.136 1.00 10.00 O ATOM 308 CB ASN A 20 -4.784 4.297 3.865 1.00 10.00 C ATOM 309 CG ASN A 20 -5.963 4.072 4.796 1.00 10.00 C ATOM 310 OD1 ASN A 20 -6.018 4.623 5.883 1.00 10.00 O ATOM 311 ND2 ASN A 20 -6.866 3.190 4.420 1.00 10.00 N ATOM 0 H ASN A 20 -2.653 4.318 2.677 1.00 10.00 H new ATOM 0 HA ASN A 20 -3.366 3.491 5.272 1.00 10.00 H new ATOM 0 HB2 ASN A 20 -4.439 5.328 3.942 1.00 10.00 H new ATOM 0 HB3 ASN A 20 -5.090 4.140 2.831 1.00 10.00 H new ATOM 0 HD21 ASN A 20 -7.637 2.952 5.044 1.00 10.00 H new ATOM 0 HD22 ASN A 20 -6.794 2.745 3.505 1.00 10.00 H new ATOM 318 N THR A 21 -4.095 1.289 2.909 1.00 10.00 N ATOM 319 CA THR A 21 -4.506 -0.105 2.674 1.00 10.00 C ATOM 320 C THR A 21 -3.606 -1.082 3.434 1.00 10.00 C ATOM 321 O THR A 21 -4.118 -1.964 4.122 1.00 10.00 O ATOM 322 CB THR A 21 -4.509 -0.426 1.167 1.00 10.00 C ATOM 323 OG1 THR A 21 -5.420 0.424 0.508 1.00 10.00 O ATOM 324 CG2 THR A 21 -4.951 -1.859 0.861 1.00 10.00 C ATOM 0 H THR A 21 -3.813 1.779 2.060 1.00 10.00 H new ATOM 0 HA THR A 21 -5.522 -0.223 3.052 1.00 10.00 H new ATOM 0 HB THR A 21 -3.483 -0.289 0.826 1.00 10.00 H new ATOM 0 HG1 THR A 21 -4.954 1.230 0.203 1.00 10.00 H new ATOM 0 HG21 THR A 21 -4.932 -2.023 -0.216 1.00 10.00 H new ATOM 0 HG22 THR A 21 -4.273 -2.561 1.347 1.00 10.00 H new ATOM 0 HG23 THR A 21 -5.963 -2.015 1.234 1.00 10.00 H new ATOM 332 N ILE A 22 -2.279 -0.901 3.373 1.00 10.00 N ATOM 333 CA ILE A 22 -1.330 -1.711 4.155 1.00 10.00 C ATOM 334 C ILE A 22 -1.537 -1.479 5.660 1.00 10.00 C ATOM 335 O ILE A 22 -1.581 -2.446 6.422 1.00 10.00 O ATOM 336 CB ILE A 22 0.123 -1.394 3.737 1.00 10.00 C ATOM 337 CG1 ILE A 22 0.344 -1.697 2.245 1.00 10.00 C ATOM 338 CG2 ILE A 22 1.173 -2.169 4.558 1.00 10.00 C ATOM 339 CD1 ILE A 22 1.766 -1.387 1.786 1.00 10.00 C ATOM 0 H ILE A 22 -1.835 -0.195 2.786 1.00 10.00 H new ATOM 0 HA ILE A 22 -1.518 -2.765 3.948 1.00 10.00 H new ATOM 0 HB ILE A 22 0.259 -0.330 3.933 1.00 10.00 H new ATOM 0 HG12 ILE A 22 0.126 -2.748 2.056 1.00 10.00 H new ATOM 0 HG13 ILE A 22 -0.360 -1.114 1.652 1.00 10.00 H new ATOM 0 HG21 ILE A 22 2.173 -1.902 4.215 1.00 10.00 H new ATOM 0 HG22 ILE A 22 1.071 -1.914 5.613 1.00 10.00 H new ATOM 0 HG23 ILE A 22 1.019 -3.240 4.427 1.00 10.00 H new ATOM 0 HD11 ILE A 22 1.865 -1.620 0.726 1.00 10.00 H new ATOM 0 HD12 ILE A 22 1.978 -0.330 1.947 1.00 10.00 H new ATOM 0 HD13 ILE A 22 2.472 -1.990 2.357 1.00 10.00 H new ATOM 351 N SER A 23 -1.698 -0.218 6.089 1.00 10.00 N ATOM 352 CA SER A 23 -1.925 0.131 7.496 1.00 10.00 C ATOM 353 C SER A 23 -3.186 -0.537 8.064 1.00 10.00 C ATOM 354 O SER A 23 -3.093 -1.253 9.063 1.00 10.00 O ATOM 355 CB SER A 23 -1.992 1.655 7.638 1.00 10.00 C ATOM 356 OG SER A 23 -2.141 2.012 8.996 1.00 10.00 O ATOM 0 H SER A 23 -1.674 0.590 5.466 1.00 10.00 H new ATOM 0 HA SER A 23 -1.088 -0.249 8.081 1.00 10.00 H new ATOM 0 HB2 SER A 23 -1.086 2.105 7.233 1.00 10.00 H new ATOM 0 HB3 SER A 23 -2.828 2.045 7.058 1.00 10.00 H new ATOM 0 HG SER A 23 -2.181 2.988 9.075 1.00 10.00 H new ATOM 362 N ASP A 24 -4.336 -0.414 7.383 1.00 10.00 N ATOM 363 CA ASP A 24 -5.555 -1.149 7.729 1.00 10.00 C ATOM 364 C ASP A 24 -5.381 -2.669 7.681 1.00 10.00 C ATOM 365 O ASP A 24 -5.911 -3.346 8.560 1.00 10.00 O ATOM 366 CB ASP A 24 -6.720 -0.765 6.795 1.00 10.00 C ATOM 367 CG ASP A 24 -7.432 0.543 7.147 1.00 10.00 C ATOM 368 OD1 ASP A 24 -8.019 0.563 8.255 1.00 10.00 O ATOM 369 OD2 ASP A 24 -7.587 1.409 6.261 1.00 10.00 O ATOM 0 H ASP A 24 -4.443 0.200 6.576 1.00 10.00 H new ATOM 0 HA ASP A 24 -5.779 -0.864 8.757 1.00 10.00 H new ATOM 0 HB2 ASP A 24 -6.339 -0.690 5.777 1.00 10.00 H new ATOM 0 HB3 ASP A 24 -7.452 -1.572 6.803 1.00 10.00 H new ATOM 374 N PHE A 25 -4.636 -3.222 6.712 1.00 10.00 N ATOM 375 CA PHE A 25 -4.419 -4.669 6.645 1.00 10.00 C ATOM 376 C PHE A 25 -3.636 -5.164 7.870 1.00 10.00 C ATOM 377 O PHE A 25 -4.055 -6.122 8.523 1.00 10.00 O ATOM 378 CB PHE A 25 -3.704 -5.030 5.333 1.00 10.00 C ATOM 379 CG PHE A 25 -3.666 -6.520 5.045 1.00 10.00 C ATOM 380 CD1 PHE A 25 -2.716 -7.346 5.676 1.00 10.00 C ATOM 381 CD2 PHE A 25 -4.585 -7.085 4.139 1.00 10.00 C ATOM 382 CE1 PHE A 25 -2.700 -8.726 5.419 1.00 10.00 C ATOM 383 CE2 PHE A 25 -4.589 -8.472 3.908 1.00 10.00 C ATOM 384 CZ PHE A 25 -3.655 -9.294 4.559 1.00 10.00 C ATOM 0 H PHE A 25 -4.178 -2.691 5.971 1.00 10.00 H new ATOM 0 HA PHE A 25 -5.386 -5.173 6.657 1.00 10.00 H new ATOM 0 HB2 PHE A 25 -4.202 -4.523 4.507 1.00 10.00 H new ATOM 0 HB3 PHE A 25 -2.683 -4.651 5.370 1.00 10.00 H new ATOM 0 HD1 PHE A 25 -1.998 -6.917 6.359 1.00 10.00 H new ATOM 0 HD2 PHE A 25 -5.289 -6.451 3.620 1.00 10.00 H new ATOM 0 HE1 PHE A 25 -1.952 -9.352 5.883 1.00 10.00 H new ATOM 0 HE2 PHE A 25 -5.310 -8.905 3.230 1.00 10.00 H new ATOM 0 HZ PHE A 25 -3.671 -10.362 4.399 1.00 10.00 H new ATOM 394 N ILE A 26 -2.558 -4.463 8.248 1.00 10.00 N ATOM 395 CA ILE A 26 -1.773 -4.769 9.435 1.00 10.00 C ATOM 396 C ILE A 26 -2.653 -4.625 10.683 1.00 10.00 C ATOM 397 O ILE A 26 -2.784 -5.594 11.426 1.00 10.00 O ATOM 398 CB ILE A 26 -0.514 -3.874 9.444 1.00 10.00 C ATOM 399 CG1 ILE A 26 0.456 -4.314 8.319 1.00 10.00 C ATOM 400 CG2 ILE A 26 0.178 -3.950 10.807 1.00 10.00 C ATOM 401 CD1 ILE A 26 1.613 -3.336 8.075 1.00 10.00 C ATOM 0 H ILE A 26 -2.209 -3.659 7.726 1.00 10.00 H new ATOM 0 HA ILE A 26 -1.425 -5.802 9.430 1.00 10.00 H new ATOM 0 HB ILE A 26 -0.812 -2.841 9.265 1.00 10.00 H new ATOM 0 HG12 ILE A 26 0.867 -5.292 8.570 1.00 10.00 H new ATOM 0 HG13 ILE A 26 -0.107 -4.433 7.393 1.00 10.00 H new ATOM 0 HG21 ILE A 26 1.064 -3.315 10.801 1.00 10.00 H new ATOM 0 HG22 ILE A 26 -0.508 -3.609 11.583 1.00 10.00 H new ATOM 0 HG23 ILE A 26 0.471 -4.980 11.009 1.00 10.00 H new ATOM 0 HD11 ILE A 26 2.247 -3.715 7.273 1.00 10.00 H new ATOM 0 HD12 ILE A 26 1.213 -2.362 7.792 1.00 10.00 H new ATOM 0 HD13 ILE A 26 2.202 -3.235 8.986 1.00 10.00 H new ATOM 413 N LEU A 27 -3.331 -3.481 10.869 1.00 10.00 N ATOM 414 CA LEU A 27 -4.202 -3.220 12.027 1.00 10.00 C ATOM 415 C LEU A 27 -5.430 -4.146 12.129 1.00 10.00 C ATOM 416 O LEU A 27 -6.109 -4.134 13.157 1.00 10.00 O ATOM 417 CB LEU A 27 -4.624 -1.734 12.045 1.00 10.00 C ATOM 418 CG LEU A 27 -3.708 -0.859 12.920 1.00 10.00 C ATOM 419 CD1 LEU A 27 -2.249 -0.808 12.458 1.00 10.00 C ATOM 420 CD2 LEU A 27 -4.244 0.572 12.994 1.00 10.00 C ATOM 0 H LEU A 27 -3.289 -2.702 10.212 1.00 10.00 H new ATOM 0 HA LEU A 27 -3.606 -3.449 12.910 1.00 10.00 H new ATOM 0 HB2 LEU A 27 -4.620 -1.348 11.025 1.00 10.00 H new ATOM 0 HB3 LEU A 27 -5.648 -1.657 12.411 1.00 10.00 H new ATOM 0 HG LEU A 27 -3.717 -1.336 13.900 1.00 10.00 H new ATOM 0 HD11 LEU A 27 -1.676 -0.170 13.131 1.00 10.00 H new ATOM 0 HD12 LEU A 27 -1.829 -1.814 12.467 1.00 10.00 H new ATOM 0 HD13 LEU A 27 -2.201 -0.404 11.447 1.00 10.00 H new ATOM 0 HD21 LEU A 27 -3.584 1.176 13.617 1.00 10.00 H new ATOM 0 HD22 LEU A 27 -4.286 0.997 11.991 1.00 10.00 H new ATOM 0 HD23 LEU A 27 -5.244 0.564 13.427 1.00 10.00 H new ATOM 432 N LYS A 28 -5.713 -4.955 11.098 1.00 10.00 N ATOM 433 CA LYS A 28 -6.814 -5.932 11.075 1.00 10.00 C ATOM 434 C LYS A 28 -6.312 -7.381 10.987 1.00 10.00 C ATOM 435 O LYS A 28 -7.130 -8.298 10.966 1.00 10.00 O ATOM 436 CB LYS A 28 -7.818 -5.554 9.968 1.00 10.00 C ATOM 437 CG LYS A 28 -8.478 -4.196 10.284 1.00 10.00 C ATOM 438 CD LYS A 28 -9.204 -3.564 9.090 1.00 10.00 C ATOM 439 CE LYS A 28 -9.369 -2.075 9.411 1.00 10.00 C ATOM 440 NZ LYS A 28 -9.886 -1.294 8.269 1.00 10.00 N ATOM 0 H LYS A 28 -5.170 -4.949 10.235 1.00 10.00 H new ATOM 0 HA LYS A 28 -7.344 -5.889 12.026 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -7.307 -5.503 9.007 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -8.582 -6.326 9.882 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -9.189 -4.330 11.099 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -7.713 -3.505 10.638 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -8.631 -3.701 8.173 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -10.174 -4.036 8.933 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -10.047 -1.964 10.257 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -8.406 -1.666 9.718 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -9.456 -0.347 8.273 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -9.647 -1.779 7.380 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -10.919 -1.205 8.348 1.00 10.00 H new ATOM 454 N ARG A 29 -4.986 -7.594 11.030 1.00 10.00 N ATOM 455 CA ARG A 29 -4.348 -8.916 11.166 1.00 10.00 C ATOM 456 C ARG A 29 -3.399 -9.023 12.379 1.00 10.00 C ATOM 457 O ARG A 29 -3.078 -10.135 12.788 1.00 10.00 O ATOM 458 CB ARG A 29 -3.636 -9.250 9.844 1.00 10.00 C ATOM 459 CG ARG A 29 -3.512 -10.762 9.593 1.00 10.00 C ATOM 460 CD ARG A 29 -2.568 -10.978 8.406 1.00 10.00 C ATOM 461 NE ARG A 29 -2.433 -12.368 7.928 1.00 10.00 N ATOM 462 CZ ARG A 29 -2.010 -13.455 8.561 1.00 10.00 C ATOM 463 NH1 ARG A 29 -1.899 -13.528 9.869 1.00 10.00 N ATOM 464 NH2 ARG A 29 -1.647 -14.504 7.868 1.00 10.00 N ATOM 0 H ARG A 29 -4.310 -6.832 10.970 1.00 10.00 H new ATOM 0 HA ARG A 29 -5.126 -9.653 11.366 1.00 10.00 H new ATOM 0 HB2 ARG A 29 -4.182 -8.794 9.018 1.00 10.00 H new ATOM 0 HB3 ARG A 29 -2.641 -8.806 9.852 1.00 10.00 H new ATOM 0 HG2 ARG A 29 -3.126 -11.264 10.481 1.00 10.00 H new ATOM 0 HG3 ARG A 29 -4.491 -11.193 9.383 1.00 10.00 H new ATOM 0 HD2 ARG A 29 -2.914 -10.362 7.576 1.00 10.00 H new ATOM 0 HD3 ARG A 29 -1.579 -10.613 8.683 1.00 10.00 H new ATOM 0 HE ARG A 29 -2.709 -12.517 6.957 1.00 10.00 H new ATOM 0 HH11 ARG A 29 -2.144 -12.724 10.447 1.00 10.00 H new ATOM 0 HH12 ARG A 29 -1.568 -14.389 10.306 1.00 10.00 H new ATOM 0 HH21 ARG A 29 -1.690 -14.482 6.849 1.00 10.00 H new ATOM 0 HH22 ARG A 29 -1.321 -15.343 8.347 1.00 10.00 H new ATOM 478 N VAL A 30 -2.997 -7.893 12.976 1.00 10.00 N ATOM 479 CA VAL A 30 -2.182 -7.759 14.198 1.00 10.00 C ATOM 480 C VAL A 30 -2.731 -6.563 14.995 1.00 10.00 C ATOM 481 O VAL A 30 -3.267 -5.623 14.408 1.00 10.00 O ATOM 482 CB VAL A 30 -0.691 -7.532 13.846 1.00 10.00 C ATOM 483 CG1 VAL A 30 0.207 -7.549 15.091 1.00 10.00 C ATOM 484 CG2 VAL A 30 -0.138 -8.600 12.894 1.00 10.00 C ATOM 0 H VAL A 30 -3.249 -6.982 12.593 1.00 10.00 H new ATOM 0 HA VAL A 30 -2.241 -8.673 14.788 1.00 10.00 H new ATOM 0 HB VAL A 30 -0.671 -6.553 13.367 1.00 10.00 H new ATOM 0 HG11 VAL A 30 1.243 -7.386 14.795 1.00 10.00 H new ATOM 0 HG12 VAL A 30 -0.104 -6.759 15.774 1.00 10.00 H new ATOM 0 HG13 VAL A 30 0.120 -8.515 15.589 1.00 10.00 H new ATOM 0 HG21 VAL A 30 0.910 -8.391 12.682 1.00 10.00 H new ATOM 0 HG22 VAL A 30 -0.225 -9.582 13.359 1.00 10.00 H new ATOM 0 HG23 VAL A 30 -0.706 -8.587 11.964 1.00 10.00 H new ATOM 494 N SER A 31 -2.630 -6.575 16.328 1.00 10.00 N ATOM 495 CA SER A 31 -3.250 -5.560 17.182 1.00 10.00 C ATOM 496 C SER A 31 -2.259 -4.469 17.598 1.00 10.00 C ATOM 497 O SER A 31 -1.146 -4.739 18.049 1.00 10.00 O ATOM 498 CB SER A 31 -3.852 -6.229 18.419 1.00 10.00 C ATOM 499 OG SER A 31 -4.606 -5.290 19.164 1.00 10.00 O ATOM 0 H SER A 31 -2.116 -7.289 16.844 1.00 10.00 H new ATOM 0 HA SER A 31 -4.037 -5.074 16.605 1.00 10.00 H new ATOM 0 HB2 SER A 31 -4.489 -7.061 18.118 1.00 10.00 H new ATOM 0 HB3 SER A 31 -3.058 -6.644 19.040 1.00 10.00 H new ATOM 0 HG SER A 31 -4.988 -5.729 19.952 1.00 10.00 H new ATOM 505 N ALA A 32 -2.716 -3.215 17.531 1.00 10.00 N ATOM 506 CA ALA A 32 -1.975 -2.015 17.916 1.00 10.00 C ATOM 507 C ALA A 32 -1.338 -2.080 19.321 1.00 10.00 C ATOM 508 O ALA A 32 -0.357 -1.387 19.564 1.00 10.00 O ATOM 509 CB ALA A 32 -2.887 -0.795 17.741 1.00 10.00 C ATOM 0 H ALA A 32 -3.654 -3.002 17.192 1.00 10.00 H new ATOM 0 HA ALA A 32 -1.115 -1.931 17.252 1.00 10.00 H new ATOM 0 HB1 ALA A 32 -2.346 0.108 18.025 1.00 10.00 H new ATOM 0 HB2 ALA A 32 -3.197 -0.719 16.699 1.00 10.00 H new ATOM 0 HB3 ALA A 32 -3.767 -0.905 18.375 1.00 10.00 H new ATOM 515 N LYS A 33 -1.867 -2.899 20.245 1.00 10.00 N ATOM 516 CA LYS A 33 -1.245 -3.161 21.555 1.00 10.00 C ATOM 517 C LYS A 33 0.145 -3.818 21.500 1.00 10.00 C ATOM 518 O LYS A 33 0.909 -3.659 22.447 1.00 10.00 O ATOM 519 CB LYS A 33 -2.199 -3.983 22.431 1.00 10.00 C ATOM 520 CG LYS A 33 -2.341 -5.443 21.984 1.00 10.00 C ATOM 521 CD LYS A 33 -3.388 -6.204 22.810 1.00 10.00 C ATOM 522 CE LYS A 33 -3.675 -7.599 22.236 1.00 10.00 C ATOM 523 NZ LYS A 33 -2.454 -8.432 22.132 1.00 10.00 N ATOM 0 H LYS A 33 -2.743 -3.401 20.104 1.00 10.00 H new ATOM 0 HA LYS A 33 -1.070 -2.180 21.997 1.00 10.00 H new ATOM 0 HB2 LYS A 33 -1.843 -3.960 23.461 1.00 10.00 H new ATOM 0 HB3 LYS A 33 -3.182 -3.512 22.423 1.00 10.00 H new ATOM 0 HG2 LYS A 33 -2.620 -5.473 20.931 1.00 10.00 H new ATOM 0 HG3 LYS A 33 -1.377 -5.944 22.073 1.00 10.00 H new ATOM 0 HD2 LYS A 33 -3.038 -6.301 23.838 1.00 10.00 H new ATOM 0 HD3 LYS A 33 -4.313 -5.628 22.841 1.00 10.00 H new ATOM 0 HE2 LYS A 33 -4.404 -8.106 22.869 1.00 10.00 H new ATOM 0 HE3 LYS A 33 -4.126 -7.496 21.249 1.00 10.00 H new ATOM 0 HZ1 LYS A 33 -2.715 -9.438 22.174 1.00 10.00 H new ATOM 0 HZ2 LYS A 33 -1.976 -8.236 21.230 1.00 10.00 H new ATOM 0 HZ3 LYS A 33 -1.813 -8.208 22.920 1.00 10.00 H new ATOM 537 N GLU A 34 0.467 -4.540 20.421 1.00 10.00 N ATOM 538 CA GLU A 34 1.797 -5.141 20.194 1.00 10.00 C ATOM 539 C GLU A 34 2.600 -4.481 19.059 1.00 10.00 C ATOM 540 O GLU A 34 3.817 -4.658 18.999 1.00 10.00 O ATOM 541 CB GLU A 34 1.724 -6.668 19.996 1.00 10.00 C ATOM 542 CG GLU A 34 0.962 -7.173 18.749 1.00 10.00 C ATOM 543 CD GLU A 34 -0.483 -7.637 18.995 1.00 10.00 C ATOM 544 OE1 GLU A 34 -0.964 -7.559 20.149 1.00 10.00 O ATOM 545 OE2 GLU A 34 -1.127 -8.099 18.026 1.00 10.00 O ATOM 0 H GLU A 34 -0.194 -4.729 19.667 1.00 10.00 H new ATOM 0 HA GLU A 34 2.347 -4.941 21.114 1.00 10.00 H new ATOM 0 HB2 GLU A 34 2.742 -7.054 19.951 1.00 10.00 H new ATOM 0 HB3 GLU A 34 1.257 -7.103 20.879 1.00 10.00 H new ATOM 0 HG2 GLU A 34 0.947 -6.375 18.007 1.00 10.00 H new ATOM 0 HG3 GLU A 34 1.521 -8.001 18.314 1.00 10.00 H new ATOM 552 N ILE A 35 1.947 -3.703 18.188 1.00 10.00 N ATOM 553 CA ILE A 35 2.613 -2.846 17.199 1.00 10.00 C ATOM 554 C ILE A 35 3.239 -1.646 17.922 1.00 10.00 C ATOM 555 O ILE A 35 2.525 -0.801 18.459 1.00 10.00 O ATOM 556 CB ILE A 35 1.608 -2.359 16.127 1.00 10.00 C ATOM 557 CG1 ILE A 35 0.877 -3.504 15.388 1.00 10.00 C ATOM 558 CG2 ILE A 35 2.274 -1.420 15.104 1.00 10.00 C ATOM 559 CD1 ILE A 35 1.781 -4.380 14.522 1.00 10.00 C ATOM 0 H ILE A 35 0.929 -3.650 18.149 1.00 10.00 H new ATOM 0 HA ILE A 35 3.390 -3.420 16.693 1.00 10.00 H new ATOM 0 HB ILE A 35 0.852 -1.806 16.685 1.00 10.00 H new ATOM 0 HG12 ILE A 35 0.379 -4.135 16.124 1.00 10.00 H new ATOM 0 HG13 ILE A 35 0.098 -3.074 14.758 1.00 10.00 H new ATOM 0 HG21 ILE A 35 1.535 -1.100 14.369 1.00 10.00 H new ATOM 0 HG22 ILE A 35 2.675 -0.547 15.619 1.00 10.00 H new ATOM 0 HG23 ILE A 35 3.084 -1.947 14.599 1.00 10.00 H new ATOM 0 HD11 ILE A 35 1.184 -5.156 14.042 1.00 10.00 H new ATOM 0 HD12 ILE A 35 2.260 -3.766 13.759 1.00 10.00 H new ATOM 0 HD13 ILE A 35 2.545 -4.844 15.146 1.00 10.00 H new ATOM 571 N VAL A 36 4.570 -1.550 17.917 1.00 10.00 N ATOM 572 CA VAL A 36 5.284 -0.341 18.347 1.00 10.00 C ATOM 573 C VAL A 36 5.107 0.745 17.287 1.00 10.00 C ATOM 574 O VAL A 36 4.711 1.857 17.626 1.00 10.00 O ATOM 575 CB VAL A 36 6.774 -0.651 18.599 1.00 10.00 C ATOM 576 CG1 VAL A 36 7.664 0.598 18.637 1.00 10.00 C ATOM 577 CG2 VAL A 36 6.914 -1.378 19.939 1.00 10.00 C ATOM 0 H VAL A 36 5.185 -2.306 17.616 1.00 10.00 H new ATOM 0 HA VAL A 36 4.868 0.017 19.289 1.00 10.00 H new ATOM 0 HB VAL A 36 7.108 -1.265 17.762 1.00 10.00 H new ATOM 0 HG11 VAL A 36 8.698 0.303 18.818 1.00 10.00 H new ATOM 0 HG12 VAL A 36 7.598 1.121 17.683 1.00 10.00 H new ATOM 0 HG13 VAL A 36 7.330 1.259 19.437 1.00 10.00 H new ATOM 0 HG21 VAL A 36 7.965 -1.601 20.124 1.00 10.00 H new ATOM 0 HG22 VAL A 36 6.531 -0.744 20.739 1.00 10.00 H new ATOM 0 HG23 VAL A 36 6.346 -2.308 19.910 1.00 10.00 H new ATOM 587 N ASP A 37 5.362 0.413 16.013 1.00 10.00 N ATOM 588 CA ASP A 37 5.092 1.299 14.878 1.00 10.00 C ATOM 589 C ASP A 37 5.098 0.549 13.529 1.00 10.00 C ATOM 590 O ASP A 37 5.404 -0.646 13.457 1.00 10.00 O ATOM 591 CB ASP A 37 6.102 2.474 14.859 1.00 10.00 C ATOM 592 CG ASP A 37 5.440 3.797 14.448 1.00 10.00 C ATOM 593 OD1 ASP A 37 4.474 3.733 13.652 1.00 10.00 O ATOM 594 OD2 ASP A 37 5.891 4.851 14.950 1.00 10.00 O ATOM 0 H ASP A 37 5.764 -0.485 15.743 1.00 10.00 H new ATOM 0 HA ASP A 37 4.086 1.697 15.012 1.00 10.00 H new ATOM 0 HB2 ASP A 37 6.548 2.584 15.847 1.00 10.00 H new ATOM 0 HB3 ASP A 37 6.912 2.244 14.167 1.00 10.00 H new ATOM 599 N ILE A 38 4.798 1.276 12.449 1.00 10.00 N ATOM 600 CA ILE A 38 4.926 0.829 11.059 1.00 10.00 C ATOM 601 C ILE A 38 5.533 1.947 10.206 1.00 10.00 C ATOM 602 O ILE A 38 5.190 3.116 10.360 1.00 10.00 O ATOM 603 CB ILE A 38 3.570 0.370 10.461 1.00 10.00 C ATOM 604 CG1 ILE A 38 2.420 1.383 10.685 1.00 10.00 C ATOM 605 CG2 ILE A 38 3.201 -1.022 10.992 1.00 10.00 C ATOM 606 CD1 ILE A 38 1.105 1.010 9.988 1.00 10.00 C ATOM 0 H ILE A 38 4.445 2.230 12.522 1.00 10.00 H new ATOM 0 HA ILE A 38 5.588 -0.037 11.052 1.00 10.00 H new ATOM 0 HB ILE A 38 3.704 0.317 9.381 1.00 10.00 H new ATOM 0 HG12 ILE A 38 2.237 1.476 11.755 1.00 10.00 H new ATOM 0 HG13 ILE A 38 2.740 2.363 10.330 1.00 10.00 H new ATOM 0 HG21 ILE A 38 2.248 -1.333 10.565 1.00 10.00 H new ATOM 0 HG22 ILE A 38 3.975 -1.736 10.710 1.00 10.00 H new ATOM 0 HG23 ILE A 38 3.118 -0.987 12.078 1.00 10.00 H new ATOM 0 HD11 ILE A 38 0.354 1.772 10.197 1.00 10.00 H new ATOM 0 HD12 ILE A 38 1.269 0.947 8.912 1.00 10.00 H new ATOM 0 HD13 ILE A 38 0.757 0.046 10.359 1.00 10.00 H new ATOM 618 N ASP A 39 6.378 1.568 9.247 1.00 10.00 N ATOM 619 CA ASP A 39 6.991 2.492 8.290 1.00 10.00 C ATOM 620 C ASP A 39 6.746 1.983 6.875 1.00 10.00 C ATOM 621 O ASP A 39 7.143 0.875 6.523 1.00 10.00 O ATOM 622 CB ASP A 39 8.489 2.678 8.569 1.00 10.00 C ATOM 623 CG ASP A 39 8.738 3.667 9.707 1.00 10.00 C ATOM 624 OD1 ASP A 39 8.704 4.881 9.404 1.00 10.00 O ATOM 625 OD2 ASP A 39 8.992 3.207 10.841 1.00 10.00 O ATOM 0 H ASP A 39 6.660 0.597 9.110 1.00 10.00 H new ATOM 0 HA ASP A 39 6.530 3.474 8.399 1.00 10.00 H new ATOM 0 HB2 ASP A 39 8.934 1.715 8.821 1.00 10.00 H new ATOM 0 HB3 ASP A 39 8.985 3.032 7.665 1.00 10.00 H new ATOM 630 N ILE A 40 6.058 2.791 6.064 1.00 10.00 N ATOM 631 CA ILE A 40 5.609 2.411 4.726 1.00 10.00 C ATOM 632 C ILE A 40 5.998 3.517 3.750 1.00 10.00 C ATOM 633 O ILE A 40 5.675 4.687 3.944 1.00 10.00 O ATOM 634 CB ILE A 40 4.094 2.111 4.732 1.00 10.00 C ATOM 635 CG1 ILE A 40 3.808 0.787 5.475 1.00 10.00 C ATOM 636 CG2 ILE A 40 3.539 1.996 3.299 1.00 10.00 C ATOM 637 CD1 ILE A 40 2.389 0.664 6.020 1.00 10.00 C ATOM 0 H ILE A 40 5.794 3.741 6.324 1.00 10.00 H new ATOM 0 HA ILE A 40 6.096 1.492 4.401 1.00 10.00 H new ATOM 0 HB ILE A 40 3.604 2.941 5.242 1.00 10.00 H new ATOM 0 HG12 ILE A 40 3.997 -0.045 4.796 1.00 10.00 H new ATOM 0 HG13 ILE A 40 4.511 0.689 6.302 1.00 10.00 H new ATOM 0 HG21 ILE A 40 2.470 1.785 3.339 1.00 10.00 H new ATOM 0 HG22 ILE A 40 3.704 2.934 2.769 1.00 10.00 H new ATOM 0 HG23 ILE A 40 4.050 1.188 2.775 1.00 10.00 H new ATOM 0 HD11 ILE A 40 2.275 -0.295 6.526 1.00 10.00 H new ATOM 0 HD12 ILE A 40 2.199 1.472 6.727 1.00 10.00 H new ATOM 0 HD13 ILE A 40 1.677 0.727 5.197 1.00 10.00 H new ATOM 649 N THR A 41 6.700 3.117 2.691 1.00 10.00 N ATOM 650 CA THR A 41 7.131 3.967 1.587 1.00 10.00 C ATOM 651 C THR A 41 6.518 3.426 0.301 1.00 10.00 C ATOM 652 O THR A 41 6.766 2.282 -0.082 1.00 10.00 O ATOM 653 CB THR A 41 8.665 4.000 1.508 1.00 10.00 C ATOM 654 OG1 THR A 41 9.172 4.558 2.697 1.00 10.00 O ATOM 655 CG2 THR A 41 9.184 4.857 0.353 1.00 10.00 C ATOM 0 H THR A 41 6.996 2.148 2.576 1.00 10.00 H new ATOM 0 HA THR A 41 6.795 4.992 1.742 1.00 10.00 H new ATOM 0 HB THR A 41 8.993 2.972 1.354 1.00 10.00 H new ATOM 0 HG1 THR A 41 10.151 4.581 2.656 1.00 10.00 H new ATOM 0 HG21 THR A 41 10.274 4.841 0.349 1.00 10.00 H new ATOM 0 HG22 THR A 41 8.812 4.459 -0.591 1.00 10.00 H new ATOM 0 HG23 THR A 41 8.836 5.883 0.476 1.00 10.00 H new ATOM 663 N VAL A 42 5.724 4.264 -0.366 1.00 10.00 N ATOM 664 CA VAL A 42 5.161 3.988 -1.688 1.00 10.00 C ATOM 665 C VAL A 42 5.752 5.009 -2.653 1.00 10.00 C ATOM 666 O VAL A 42 5.689 6.211 -2.396 1.00 10.00 O ATOM 667 CB VAL A 42 3.621 4.044 -1.665 1.00 10.00 C ATOM 668 CG1 VAL A 42 3.047 3.788 -3.065 1.00 10.00 C ATOM 669 CG2 VAL A 42 3.037 2.998 -0.703 1.00 10.00 C ATOM 0 H VAL A 42 5.448 5.173 0.006 1.00 10.00 H new ATOM 0 HA VAL A 42 5.417 2.978 -2.010 1.00 10.00 H new ATOM 0 HB VAL A 42 3.344 5.042 -1.325 1.00 10.00 H new ATOM 0 HG11 VAL A 42 1.959 3.832 -3.026 1.00 10.00 H new ATOM 0 HG12 VAL A 42 3.416 4.548 -3.754 1.00 10.00 H new ATOM 0 HG13 VAL A 42 3.358 2.802 -3.411 1.00 10.00 H new ATOM 0 HG21 VAL A 42 1.949 3.064 -0.710 1.00 10.00 H new ATOM 0 HG22 VAL A 42 3.342 2.001 -1.021 1.00 10.00 H new ATOM 0 HG23 VAL A 42 3.405 3.186 0.306 1.00 10.00 H new ATOM 679 N LEU A 43 6.340 4.525 -3.748 1.00 10.00 N ATOM 680 CA LEU A 43 6.926 5.349 -4.801 1.00 10.00 C ATOM 681 C LEU A 43 6.174 5.088 -6.100 1.00 10.00 C ATOM 682 O LEU A 43 5.881 3.941 -6.430 1.00 10.00 O ATOM 683 CB LEU A 43 8.425 5.034 -4.950 1.00 10.00 C ATOM 684 CG LEU A 43 9.250 5.313 -3.681 1.00 10.00 C ATOM 685 CD1 LEU A 43 10.688 4.827 -3.876 1.00 10.00 C ATOM 686 CD2 LEU A 43 9.279 6.797 -3.302 1.00 10.00 C ATOM 0 H LEU A 43 6.423 3.525 -3.930 1.00 10.00 H new ATOM 0 HA LEU A 43 6.837 6.405 -4.545 1.00 10.00 H new ATOM 0 HB2 LEU A 43 8.540 3.985 -5.223 1.00 10.00 H new ATOM 0 HB3 LEU A 43 8.830 5.624 -5.772 1.00 10.00 H new ATOM 0 HG LEU A 43 8.763 4.772 -2.870 1.00 10.00 H new ATOM 0 HD11 LEU A 43 11.266 5.028 -2.974 1.00 10.00 H new ATOM 0 HD12 LEU A 43 10.686 3.755 -4.074 1.00 10.00 H new ATOM 0 HD13 LEU A 43 11.138 5.351 -4.719 1.00 10.00 H new ATOM 0 HD21 LEU A 43 9.876 6.930 -2.400 1.00 10.00 H new ATOM 0 HD22 LEU A 43 9.719 7.372 -4.117 1.00 10.00 H new ATOM 0 HD23 LEU A 43 8.263 7.146 -3.120 1.00 10.00 H new ATOM 698 N VAL A 44 5.851 6.157 -6.826 1.00 10.00 N ATOM 699 CA VAL A 44 5.119 6.092 -8.094 1.00 10.00 C ATOM 700 C VAL A 44 5.701 7.091 -9.100 1.00 10.00 C ATOM 701 O VAL A 44 5.940 8.250 -8.768 1.00 10.00 O ATOM 702 CB VAL A 44 3.603 6.250 -7.844 1.00 10.00 C ATOM 703 CG1 VAL A 44 3.221 7.561 -7.148 1.00 10.00 C ATOM 704 CG2 VAL A 44 2.809 6.098 -9.147 1.00 10.00 C ATOM 0 H VAL A 44 6.093 7.108 -6.547 1.00 10.00 H new ATOM 0 HA VAL A 44 5.245 5.110 -8.550 1.00 10.00 H new ATOM 0 HB VAL A 44 3.339 5.445 -7.158 1.00 10.00 H new ATOM 0 HG11 VAL A 44 2.141 7.597 -7.008 1.00 10.00 H new ATOM 0 HG12 VAL A 44 3.715 7.615 -6.178 1.00 10.00 H new ATOM 0 HG13 VAL A 44 3.536 8.404 -7.763 1.00 10.00 H new ATOM 0 HG21 VAL A 44 1.745 6.214 -8.940 1.00 10.00 H new ATOM 0 HG22 VAL A 44 3.126 6.861 -9.857 1.00 10.00 H new ATOM 0 HG23 VAL A 44 2.991 5.110 -9.571 1.00 10.00 H new ATOM 714 N GLU A 45 5.933 6.628 -10.330 1.00 10.00 N ATOM 715 CA GLU A 45 6.613 7.355 -11.402 1.00 10.00 C ATOM 716 C GLU A 45 6.002 7.015 -12.771 1.00 10.00 C ATOM 717 O GLU A 45 5.366 5.974 -12.954 1.00 10.00 O ATOM 718 CB GLU A 45 8.112 6.999 -11.425 1.00 10.00 C ATOM 719 CG GLU A 45 8.887 7.507 -10.202 1.00 10.00 C ATOM 720 CD GLU A 45 10.392 7.291 -10.390 1.00 10.00 C ATOM 721 OE1 GLU A 45 11.023 8.172 -11.017 1.00 10.00 O ATOM 722 OE2 GLU A 45 10.890 6.244 -9.920 1.00 10.00 O ATOM 0 H GLU A 45 5.639 5.695 -10.618 1.00 10.00 H new ATOM 0 HA GLU A 45 6.489 8.420 -11.208 1.00 10.00 H new ATOM 0 HB2 GLU A 45 8.218 5.916 -11.487 1.00 10.00 H new ATOM 0 HB3 GLU A 45 8.561 7.415 -12.327 1.00 10.00 H new ATOM 0 HG2 GLU A 45 8.682 8.567 -10.049 1.00 10.00 H new ATOM 0 HG3 GLU A 45 8.548 6.985 -9.307 1.00 10.00 H new ATOM 729 N TYR A 46 6.234 7.891 -13.755 1.00 10.00 N ATOM 730 CA TYR A 46 5.823 7.674 -15.140 1.00 10.00 C ATOM 731 C TYR A 46 6.958 8.104 -16.076 1.00 10.00 C ATOM 732 O TYR A 46 7.146 9.292 -16.337 1.00 10.00 O ATOM 733 CB TYR A 46 4.501 8.409 -15.414 1.00 10.00 C ATOM 734 CG TYR A 46 3.747 7.882 -16.622 1.00 10.00 C ATOM 735 CD1 TYR A 46 4.255 8.059 -17.925 1.00 10.00 C ATOM 736 CD2 TYR A 46 2.531 7.197 -16.433 1.00 10.00 C ATOM 737 CE1 TYR A 46 3.563 7.530 -19.030 1.00 10.00 C ATOM 738 CE2 TYR A 46 1.823 6.685 -17.535 1.00 10.00 C ATOM 739 CZ TYR A 46 2.346 6.842 -18.838 1.00 10.00 C ATOM 740 OH TYR A 46 1.673 6.345 -19.910 1.00 10.00 O ATOM 0 H TYR A 46 6.717 8.777 -13.607 1.00 10.00 H new ATOM 0 HA TYR A 46 5.634 6.617 -15.325 1.00 10.00 H new ATOM 0 HB2 TYR A 46 3.862 8.328 -14.535 1.00 10.00 H new ATOM 0 HB3 TYR A 46 4.709 9.469 -15.561 1.00 10.00 H new ATOM 0 HD1 TYR A 46 5.177 8.601 -18.075 1.00 10.00 H new ATOM 0 HD2 TYR A 46 2.140 7.064 -15.435 1.00 10.00 H new ATOM 0 HE1 TYR A 46 3.964 7.651 -20.026 1.00 10.00 H new ATOM 0 HE2 TYR A 46 0.883 6.174 -17.386 1.00 10.00 H new ATOM 0 HH TYR A 46 0.855 5.899 -19.605 1.00 10.00 H new ATOM 750 N THR A 47 7.734 7.133 -16.564 1.00 10.00 N ATOM 751 CA THR A 47 8.882 7.358 -17.457 1.00 10.00 C ATOM 752 C THR A 47 8.758 6.397 -18.639 1.00 10.00 C ATOM 753 O THR A 47 9.380 5.332 -18.629 1.00 10.00 O ATOM 754 CB THR A 47 10.223 7.188 -16.709 1.00 10.00 C ATOM 755 OG1 THR A 47 10.361 5.865 -16.246 1.00 10.00 O ATOM 756 CG2 THR A 47 10.377 8.132 -15.515 1.00 10.00 C ATOM 0 H THR A 47 7.582 6.148 -16.347 1.00 10.00 H new ATOM 0 HA THR A 47 8.874 8.385 -17.823 1.00 10.00 H new ATOM 0 HB THR A 47 10.999 7.434 -17.434 1.00 10.00 H new ATOM 0 HG1 THR A 47 10.148 5.241 -16.971 1.00 10.00 H new ATOM 0 HG21 THR A 47 11.341 7.959 -15.036 1.00 10.00 H new ATOM 0 HG22 THR A 47 10.323 9.165 -15.859 1.00 10.00 H new ATOM 0 HG23 THR A 47 9.577 7.946 -14.798 1.00 10.00 H new ATOM 764 N ASP A 48 7.921 6.760 -19.622 1.00 10.00 N ATOM 765 CA ASP A 48 7.418 5.916 -20.730 1.00 10.00 C ATOM 766 C ASP A 48 6.568 4.718 -20.242 1.00 10.00 C ATOM 767 O ASP A 48 5.486 4.459 -20.761 1.00 10.00 O ATOM 768 CB ASP A 48 8.568 5.501 -21.665 1.00 10.00 C ATOM 769 CG ASP A 48 8.052 5.011 -23.019 1.00 10.00 C ATOM 770 OD1 ASP A 48 7.476 5.856 -23.741 1.00 10.00 O ATOM 771 OD2 ASP A 48 8.261 3.816 -23.322 1.00 10.00 O ATOM 0 H ASP A 48 7.551 7.709 -19.673 1.00 10.00 H new ATOM 0 HA ASP A 48 6.728 6.524 -21.315 1.00 10.00 H new ATOM 0 HB2 ASP A 48 9.237 6.348 -21.816 1.00 10.00 H new ATOM 0 HB3 ASP A 48 9.154 4.713 -21.193 1.00 10.00 H new ATOM 776 N GLU A 49 7.006 4.072 -19.161 1.00 10.00 N ATOM 777 CA GLU A 49 6.303 3.072 -18.368 1.00 10.00 C ATOM 778 C GLU A 49 5.690 3.750 -17.125 1.00 10.00 C ATOM 779 O GLU A 49 6.310 4.632 -16.521 1.00 10.00 O ATOM 780 CB GLU A 49 7.356 2.035 -17.918 1.00 10.00 C ATOM 781 CG GLU A 49 6.779 0.778 -17.243 1.00 10.00 C ATOM 782 CD GLU A 49 7.817 0.009 -16.409 1.00 10.00 C ATOM 783 OE1 GLU A 49 9.044 0.150 -16.628 1.00 10.00 O ATOM 784 OE2 GLU A 49 7.416 -0.726 -15.476 1.00 10.00 O ATOM 0 H GLU A 49 7.939 4.252 -18.790 1.00 10.00 H new ATOM 0 HA GLU A 49 5.506 2.600 -18.942 1.00 10.00 H new ATOM 0 HB2 GLU A 49 7.938 1.728 -18.787 1.00 10.00 H new ATOM 0 HB3 GLU A 49 8.047 2.517 -17.226 1.00 10.00 H new ATOM 0 HG2 GLU A 49 5.948 1.068 -16.600 1.00 10.00 H new ATOM 0 HG3 GLU A 49 6.374 0.116 -18.008 1.00 10.00 H new ATOM 791 N LEU A 50 4.504 3.292 -16.702 1.00 10.00 N ATOM 792 CA LEU A 50 3.913 3.640 -15.406 1.00 10.00 C ATOM 793 C LEU A 50 4.505 2.655 -14.397 1.00 10.00 C ATOM 794 O LEU A 50 4.297 1.448 -14.530 1.00 10.00 O ATOM 795 CB LEU A 50 2.377 3.484 -15.468 1.00 10.00 C ATOM 796 CG LEU A 50 1.663 3.431 -14.096 1.00 10.00 C ATOM 797 CD1 LEU A 50 1.867 4.687 -13.244 1.00 10.00 C ATOM 798 CD2 LEU A 50 0.160 3.218 -14.295 1.00 10.00 C ATOM 0 H LEU A 50 3.923 2.663 -17.257 1.00 10.00 H new ATOM 0 HA LEU A 50 4.127 4.672 -15.128 1.00 10.00 H new ATOM 0 HB2 LEU A 50 1.966 4.315 -16.041 1.00 10.00 H new ATOM 0 HB3 LEU A 50 2.143 2.572 -16.017 1.00 10.00 H new ATOM 0 HG LEU A 50 2.115 2.597 -13.559 1.00 10.00 H new ATOM 0 HD11 LEU A 50 1.337 4.575 -12.298 1.00 10.00 H new ATOM 0 HD12 LEU A 50 2.930 4.826 -13.050 1.00 10.00 H new ATOM 0 HD13 LEU A 50 1.479 5.555 -13.777 1.00 10.00 H new ATOM 0 HD21 LEU A 50 -0.334 3.182 -13.324 1.00 10.00 H new ATOM 0 HD22 LEU A 50 -0.250 4.041 -14.880 1.00 10.00 H new ATOM 0 HD23 LEU A 50 -0.008 2.279 -14.822 1.00 10.00 H new ATOM 810 N LYS A 51 5.224 3.163 -13.390 1.00 10.00 N ATOM 811 CA LYS A 51 6.007 2.327 -12.482 1.00 10.00 C ATOM 812 C LYS A 51 5.719 2.701 -11.032 1.00 10.00 C ATOM 813 O LYS A 51 5.673 3.875 -10.676 1.00 10.00 O ATOM 814 CB LYS A 51 7.495 2.447 -12.858 1.00 10.00 C ATOM 815 CG LYS A 51 8.238 1.132 -12.590 1.00 10.00 C ATOM 816 CD LYS A 51 9.675 1.191 -13.130 1.00 10.00 C ATOM 817 CE LYS A 51 10.305 -0.205 -13.203 1.00 10.00 C ATOM 818 NZ LYS A 51 9.781 -0.981 -14.352 1.00 10.00 N ATOM 0 H LYS A 51 5.278 4.161 -13.185 1.00 10.00 H new ATOM 0 HA LYS A 51 5.724 1.279 -12.582 1.00 10.00 H new ATOM 0 HB2 LYS A 51 7.587 2.713 -13.911 1.00 10.00 H new ATOM 0 HB3 LYS A 51 7.955 3.252 -12.285 1.00 10.00 H new ATOM 0 HG2 LYS A 51 8.256 0.933 -11.519 1.00 10.00 H new ATOM 0 HG3 LYS A 51 7.703 0.306 -13.059 1.00 10.00 H new ATOM 0 HD2 LYS A 51 9.674 1.643 -14.122 1.00 10.00 H new ATOM 0 HD3 LYS A 51 10.280 1.831 -12.488 1.00 10.00 H new ATOM 0 HE2 LYS A 51 11.388 -0.112 -13.289 1.00 10.00 H new ATOM 0 HE3 LYS A 51 10.104 -0.744 -12.277 1.00 10.00 H new ATOM 0 HZ1 LYS A 51 10.203 -1.931 -14.351 1.00 10.00 H new ATOM 0 HZ2 LYS A 51 8.747 -1.061 -14.274 1.00 10.00 H new ATOM 0 HZ3 LYS A 51 10.024 -0.495 -15.239 1.00 10.00 H new ATOM 832 N VAL A 52 5.479 1.685 -10.207 1.00 10.00 N ATOM 833 CA VAL A 52 5.120 1.818 -8.794 1.00 10.00 C ATOM 834 C VAL A 52 5.910 0.801 -7.974 1.00 10.00 C ATOM 835 O VAL A 52 6.102 -0.333 -8.413 1.00 10.00 O ATOM 836 CB VAL A 52 3.588 1.708 -8.611 1.00 10.00 C ATOM 837 CG1 VAL A 52 2.996 0.438 -9.241 1.00 10.00 C ATOM 838 CG2 VAL A 52 3.140 1.802 -7.143 1.00 10.00 C ATOM 0 H VAL A 52 5.530 0.713 -10.512 1.00 10.00 H new ATOM 0 HA VAL A 52 5.392 2.807 -8.424 1.00 10.00 H new ATOM 0 HB VAL A 52 3.196 2.575 -9.143 1.00 10.00 H new ATOM 0 HG11 VAL A 52 1.918 0.420 -9.079 1.00 10.00 H new ATOM 0 HG12 VAL A 52 3.202 0.433 -10.311 1.00 10.00 H new ATOM 0 HG13 VAL A 52 3.447 -0.441 -8.781 1.00 10.00 H new ATOM 0 HG21 VAL A 52 2.055 1.717 -7.088 1.00 10.00 H new ATOM 0 HG22 VAL A 52 3.597 0.994 -6.571 1.00 10.00 H new ATOM 0 HG23 VAL A 52 3.451 2.761 -6.728 1.00 10.00 H new ATOM 848 N ASP A 53 6.343 1.205 -6.780 1.00 10.00 N ATOM 849 CA ASP A 53 7.031 0.349 -5.821 1.00 10.00 C ATOM 850 C ASP A 53 6.499 0.593 -4.404 1.00 10.00 C ATOM 851 O ASP A 53 6.087 1.701 -4.051 1.00 10.00 O ATOM 852 CB ASP A 53 8.551 0.563 -5.904 1.00 10.00 C ATOM 853 CG ASP A 53 9.318 -0.434 -5.028 1.00 10.00 C ATOM 854 OD1 ASP A 53 8.778 -1.546 -4.819 1.00 10.00 O ATOM 855 OD2 ASP A 53 10.419 -0.064 -4.567 1.00 10.00 O ATOM 0 H ASP A 53 6.221 2.161 -6.447 1.00 10.00 H new ATOM 0 HA ASP A 53 6.831 -0.693 -6.071 1.00 10.00 H new ATOM 0 HB2 ASP A 53 8.876 0.461 -6.939 1.00 10.00 H new ATOM 0 HB3 ASP A 53 8.792 1.580 -5.593 1.00 10.00 H new ATOM 860 N ILE A 54 6.463 -0.487 -3.621 1.00 10.00 N ATOM 861 CA ILE A 54 5.855 -0.551 -2.295 1.00 10.00 C ATOM 862 C ILE A 54 6.837 -1.224 -1.333 1.00 10.00 C ATOM 863 O ILE A 54 7.191 -2.386 -1.521 1.00 10.00 O ATOM 864 CB ILE A 54 4.495 -1.289 -2.368 1.00 10.00 C ATOM 865 CG1 ILE A 54 3.513 -0.530 -3.296 1.00 10.00 C ATOM 866 CG2 ILE A 54 3.895 -1.453 -0.962 1.00 10.00 C ATOM 867 CD1 ILE A 54 2.093 -1.104 -3.364 1.00 10.00 C ATOM 0 H ILE A 54 6.874 -1.376 -3.907 1.00 10.00 H new ATOM 0 HA ILE A 54 5.648 0.451 -1.920 1.00 10.00 H new ATOM 0 HB ILE A 54 4.663 -2.281 -2.787 1.00 10.00 H new ATOM 0 HG12 ILE A 54 3.452 0.506 -2.962 1.00 10.00 H new ATOM 0 HG13 ILE A 54 3.929 -0.516 -4.303 1.00 10.00 H new ATOM 0 HG21 ILE A 54 2.940 -1.973 -1.032 1.00 10.00 H new ATOM 0 HG22 ILE A 54 4.578 -2.031 -0.340 1.00 10.00 H new ATOM 0 HG23 ILE A 54 3.741 -0.471 -0.515 1.00 10.00 H new ATOM 0 HD11 ILE A 54 1.488 -0.500 -4.040 1.00 10.00 H new ATOM 0 HD12 ILE A 54 2.132 -2.130 -3.731 1.00 10.00 H new ATOM 0 HD13 ILE A 54 1.648 -1.092 -2.369 1.00 10.00 H new ATOM 879 N SER A 55 7.209 -0.522 -0.260 1.00 10.00 N ATOM 880 CA SER A 55 8.044 -1.054 0.816 1.00 10.00 C ATOM 881 C SER A 55 7.375 -0.780 2.161 1.00 10.00 C ATOM 882 O SER A 55 6.978 0.352 2.435 1.00 10.00 O ATOM 883 CB SER A 55 9.429 -0.410 0.749 1.00 10.00 C ATOM 884 OG SER A 55 10.251 -0.964 1.755 1.00 10.00 O ATOM 0 H SER A 55 6.933 0.449 -0.113 1.00 10.00 H new ATOM 0 HA SER A 55 8.159 -2.132 0.703 1.00 10.00 H new ATOM 0 HB2 SER A 55 9.873 -0.577 -0.232 1.00 10.00 H new ATOM 0 HB3 SER A 55 9.348 0.669 0.883 1.00 10.00 H new ATOM 0 HG SER A 55 11.140 -0.554 1.713 1.00 10.00 H new ATOM 890 N ALA A 56 7.215 -1.821 2.981 1.00 10.00 N ATOM 891 CA ALA A 56 6.602 -1.741 4.302 1.00 10.00 C ATOM 892 C ALA A 56 7.476 -2.445 5.349 1.00 10.00 C ATOM 893 O ALA A 56 7.991 -3.534 5.097 1.00 10.00 O ATOM 894 CB ALA A 56 5.190 -2.336 4.224 1.00 10.00 C ATOM 0 H ALA A 56 7.516 -2.764 2.736 1.00 10.00 H new ATOM 0 HA ALA A 56 6.522 -0.701 4.619 1.00 10.00 H new ATOM 0 HB1 ALA A 56 4.718 -2.283 5.205 1.00 10.00 H new ATOM 0 HB2 ALA A 56 4.596 -1.771 3.505 1.00 10.00 H new ATOM 0 HB3 ALA A 56 5.251 -3.377 3.906 1.00 10.00 H new ATOM 900 N GLU A 57 7.587 -1.841 6.533 1.00 10.00 N ATOM 901 CA GLU A 57 8.300 -2.360 7.697 1.00 10.00 C ATOM 902 C GLU A 57 7.372 -2.330 8.920 1.00 10.00 C ATOM 903 O GLU A 57 6.547 -1.423 9.082 1.00 10.00 O ATOM 904 CB GLU A 57 9.597 -1.557 7.901 1.00 10.00 C ATOM 905 CG GLU A 57 10.448 -1.989 9.106 1.00 10.00 C ATOM 906 CD GLU A 57 10.905 -3.451 9.036 1.00 10.00 C ATOM 907 OE1 GLU A 57 10.029 -4.330 9.209 1.00 10.00 O ATOM 908 OE2 GLU A 57 12.117 -3.671 8.817 1.00 10.00 O ATOM 0 H GLU A 57 7.161 -0.932 6.713 1.00 10.00 H new ATOM 0 HA GLU A 57 8.590 -3.400 7.544 1.00 10.00 H new ATOM 0 HB2 GLU A 57 10.203 -1.640 6.999 1.00 10.00 H new ATOM 0 HB3 GLU A 57 9.340 -0.504 8.016 1.00 10.00 H new ATOM 0 HG2 GLU A 57 11.325 -1.345 9.172 1.00 10.00 H new ATOM 0 HG3 GLU A 57 9.873 -1.839 10.020 1.00 10.00 H new ATOM 915 N LEU A 58 7.512 -3.357 9.762 1.00 10.00 N ATOM 916 CA LEU A 58 6.592 -3.716 10.834 1.00 10.00 C ATOM 917 C LEU A 58 7.321 -3.875 12.176 1.00 10.00 C ATOM 918 O LEU A 58 7.965 -4.897 12.415 1.00 10.00 O ATOM 919 CB LEU A 58 5.889 -5.005 10.360 1.00 10.00 C ATOM 920 CG LEU A 58 4.880 -5.620 11.338 1.00 10.00 C ATOM 921 CD1 LEU A 58 3.711 -4.677 11.611 1.00 10.00 C ATOM 922 CD2 LEU A 58 4.326 -6.934 10.776 1.00 10.00 C ATOM 0 H LEU A 58 8.311 -3.989 9.708 1.00 10.00 H new ATOM 0 HA LEU A 58 5.857 -2.934 11.025 1.00 10.00 H new ATOM 0 HB2 LEU A 58 5.373 -4.791 9.424 1.00 10.00 H new ATOM 0 HB3 LEU A 58 6.652 -5.751 10.140 1.00 10.00 H new ATOM 0 HG LEU A 58 5.411 -5.803 12.272 1.00 10.00 H new ATOM 0 HD11 LEU A 58 3.018 -5.149 12.308 1.00 10.00 H new ATOM 0 HD12 LEU A 58 4.085 -3.749 12.043 1.00 10.00 H new ATOM 0 HD13 LEU A 58 3.193 -4.459 10.677 1.00 10.00 H new ATOM 0 HD21 LEU A 58 3.611 -7.359 11.481 1.00 10.00 H new ATOM 0 HD22 LEU A 58 3.828 -6.742 9.826 1.00 10.00 H new ATOM 0 HD23 LEU A 58 5.144 -7.637 10.621 1.00 10.00 H new ATOM 934 N TYR A 59 7.192 -2.893 13.077 1.00 10.00 N ATOM 935 CA TYR A 59 7.874 -2.918 14.369 1.00 10.00 C ATOM 936 C TYR A 59 6.941 -3.431 15.467 1.00 10.00 C ATOM 937 O TYR A 59 6.051 -2.721 15.933 1.00 10.00 O ATOM 938 CB TYR A 59 8.469 -1.539 14.696 1.00 10.00 C ATOM 939 CG TYR A 59 9.569 -1.111 13.742 1.00 10.00 C ATOM 940 CD1 TYR A 59 10.764 -1.857 13.676 1.00 10.00 C ATOM 941 CD2 TYR A 59 9.403 0.018 12.915 1.00 10.00 C ATOM 942 CE1 TYR A 59 11.787 -1.487 12.783 1.00 10.00 C ATOM 943 CE2 TYR A 59 10.433 0.403 12.036 1.00 10.00 C ATOM 944 CZ TYR A 59 11.625 -0.348 11.965 1.00 10.00 C ATOM 945 OH TYR A 59 12.612 0.021 11.104 1.00 10.00 O ATOM 0 H TYR A 59 6.615 -2.065 12.929 1.00 10.00 H new ATOM 0 HA TYR A 59 8.708 -3.618 14.313 1.00 10.00 H new ATOM 0 HB2 TYR A 59 7.673 -0.795 14.677 1.00 10.00 H new ATOM 0 HB3 TYR A 59 8.866 -1.555 15.711 1.00 10.00 H new ATOM 0 HD1 TYR A 59 10.895 -2.718 14.315 1.00 10.00 H new ATOM 0 HD2 TYR A 59 8.486 0.587 12.956 1.00 10.00 H new ATOM 0 HE1 TYR A 59 12.693 -2.072 12.724 1.00 10.00 H new ATOM 0 HE2 TYR A 59 10.310 1.277 11.413 1.00 10.00 H new ATOM 0 HH TYR A 59 12.337 0.826 10.617 1.00 10.00 H new ATOM 955 N LEU A 60 7.166 -4.682 15.875 1.00 10.00 N ATOM 956 CA LEU A 60 6.570 -5.303 17.058 1.00 10.00 C ATOM 957 C LEU A 60 7.337 -4.927 18.329 1.00 10.00 C ATOM 958 O LEU A 60 8.537 -4.660 18.301 1.00 10.00 O ATOM 959 CB LEU A 60 6.528 -6.844 16.929 1.00 10.00 C ATOM 960 CG LEU A 60 5.389 -7.454 16.093 1.00 10.00 C ATOM 961 CD1 LEU A 60 4.030 -7.232 16.766 1.00 10.00 C ATOM 962 CD2 LEU A 60 5.317 -6.926 14.663 1.00 10.00 C ATOM 0 H LEU A 60 7.791 -5.312 15.372 1.00 10.00 H new ATOM 0 HA LEU A 60 5.550 -4.925 17.130 1.00 10.00 H new ATOM 0 HB2 LEU A 60 7.474 -7.172 16.499 1.00 10.00 H new ATOM 0 HB3 LEU A 60 6.471 -7.265 17.933 1.00 10.00 H new ATOM 0 HG LEU A 60 5.621 -8.518 16.039 1.00 10.00 H new ATOM 0 HD11 LEU A 60 3.244 -7.673 16.153 1.00 10.00 H new ATOM 0 HD12 LEU A 60 4.030 -7.702 17.750 1.00 10.00 H new ATOM 0 HD13 LEU A 60 3.848 -6.163 16.875 1.00 10.00 H new ATOM 0 HD21 LEU A 60 4.489 -7.404 14.140 1.00 10.00 H new ATOM 0 HD22 LEU A 60 5.160 -5.847 14.681 1.00 10.00 H new ATOM 0 HD23 LEU A 60 6.250 -7.149 14.146 1.00 10.00 H new ATOM 974 N ASP A 61 6.612 -4.927 19.446 1.00 10.00 N ATOM 975 CA ASP A 61 7.181 -4.842 20.790 1.00 10.00 C ATOM 976 C ASP A 61 8.199 -5.971 21.055 1.00 10.00 C ATOM 977 O ASP A 61 8.032 -7.095 20.586 1.00 10.00 O ATOM 978 CB ASP A 61 6.031 -4.880 21.805 1.00 10.00 C ATOM 979 CG ASP A 61 6.562 -5.019 23.229 1.00 10.00 C ATOM 980 OD1 ASP A 61 7.377 -4.154 23.623 1.00 10.00 O ATOM 981 OD2 ASP A 61 6.226 -6.047 23.855 1.00 10.00 O ATOM 0 H ASP A 61 5.594 -4.987 19.442 1.00 10.00 H new ATOM 0 HA ASP A 61 7.731 -3.906 20.889 1.00 10.00 H new ATOM 0 HB2 ASP A 61 5.438 -3.969 21.722 1.00 10.00 H new ATOM 0 HB3 ASP A 61 5.368 -5.715 21.577 1.00 10.00 H new ATOM 986 N GLU A 62 9.227 -5.676 21.864 1.00 10.00 N ATOM 987 CA GLU A 62 10.365 -6.555 22.207 1.00 10.00 C ATOM 988 C GLU A 62 9.968 -7.822 23.006 1.00 10.00 C ATOM 989 O GLU A 62 10.828 -8.589 23.439 1.00 10.00 O ATOM 990 CB GLU A 62 11.397 -5.724 23.000 1.00 10.00 C ATOM 991 CG GLU A 62 12.132 -4.661 22.165 1.00 10.00 C ATOM 992 CD GLU A 62 13.315 -5.253 21.386 1.00 10.00 C ATOM 993 OE1 GLU A 62 13.061 -6.082 20.485 1.00 10.00 O ATOM 994 OE2 GLU A 62 14.464 -4.873 21.708 1.00 10.00 O ATOM 0 H GLU A 62 9.295 -4.768 22.324 1.00 10.00 H new ATOM 0 HA GLU A 62 10.785 -6.925 21.272 1.00 10.00 H new ATOM 0 HB2 GLU A 62 10.889 -5.231 23.828 1.00 10.00 H new ATOM 0 HB3 GLU A 62 12.133 -6.400 23.435 1.00 10.00 H new ATOM 0 HG2 GLU A 62 11.432 -4.202 21.467 1.00 10.00 H new ATOM 0 HG3 GLU A 62 12.491 -3.869 22.822 1.00 10.00 H new ATOM 1001 N LEU A 63 8.664 -8.062 23.176 1.00 10.00 N ATOM 1002 CA LEU A 63 8.053 -9.232 23.804 1.00 10.00 C ATOM 1003 C LEU A 63 7.056 -9.952 22.866 1.00 10.00 C ATOM 1004 O LEU A 63 6.351 -10.862 23.301 1.00 10.00 O ATOM 1005 CB LEU A 63 7.392 -8.766 25.114 1.00 10.00 C ATOM 1006 CG LEU A 63 7.842 -9.517 26.376 1.00 10.00 C ATOM 1007 CD1 LEU A 63 7.547 -11.018 26.326 1.00 10.00 C ATOM 1008 CD2 LEU A 63 9.325 -9.290 26.693 1.00 10.00 C ATOM 0 H LEU A 63 7.961 -7.396 22.855 1.00 10.00 H new ATOM 0 HA LEU A 63 8.819 -9.977 24.020 1.00 10.00 H new ATOM 0 HB2 LEU A 63 7.599 -7.704 25.249 1.00 10.00 H new ATOM 0 HB3 LEU A 63 6.312 -8.870 25.014 1.00 10.00 H new ATOM 0 HG LEU A 63 7.244 -9.090 27.181 1.00 10.00 H new ATOM 0 HD11 LEU A 63 7.890 -11.487 27.248 1.00 10.00 H new ATOM 0 HD12 LEU A 63 6.474 -11.174 26.217 1.00 10.00 H new ATOM 0 HD13 LEU A 63 8.067 -11.463 25.477 1.00 10.00 H new ATOM 0 HD21 LEU A 63 9.593 -9.842 27.594 1.00 10.00 H new ATOM 0 HD22 LEU A 63 9.933 -9.640 25.859 1.00 10.00 H new ATOM 0 HD23 LEU A 63 9.504 -8.227 26.852 1.00 10.00 H new ATOM 1020 N SER A 64 6.986 -9.549 21.589 1.00 10.00 N ATOM 1021 CA SER A 64 6.022 -10.031 20.587 1.00 10.00 C ATOM 1022 C SER A 64 6.697 -10.412 19.258 1.00 10.00 C ATOM 1023 O SER A 64 7.775 -9.923 18.934 1.00 10.00 O ATOM 1024 CB SER A 64 4.973 -8.942 20.337 1.00 10.00 C ATOM 1025 OG SER A 64 4.256 -8.657 21.522 1.00 10.00 O ATOM 0 H SER A 64 7.625 -8.850 21.210 1.00 10.00 H new ATOM 0 HA SER A 64 5.555 -10.933 20.982 1.00 10.00 H new ATOM 0 HB2 SER A 64 5.460 -8.037 19.974 1.00 10.00 H new ATOM 0 HB3 SER A 64 4.283 -9.267 19.558 1.00 10.00 H new ATOM 0 HG SER A 64 4.108 -7.691 21.591 1.00 10.00 H new ATOM 1031 N ASP A 65 6.049 -11.286 18.475 1.00 10.00 N ATOM 1032 CA ASP A 65 6.610 -11.891 17.262 1.00 10.00 C ATOM 1033 C ASP A 65 5.468 -12.308 16.316 1.00 10.00 C ATOM 1034 O ASP A 65 4.842 -13.352 16.489 1.00 10.00 O ATOM 1035 CB ASP A 65 7.507 -13.084 17.653 1.00 10.00 C ATOM 1036 CG ASP A 65 8.275 -13.676 16.467 1.00 10.00 C ATOM 1037 OD1 ASP A 65 8.681 -12.880 15.591 1.00 10.00 O ATOM 1038 OD2 ASP A 65 8.490 -14.909 16.479 1.00 10.00 O ATOM 0 H ASP A 65 5.098 -11.598 18.673 1.00 10.00 H new ATOM 0 HA ASP A 65 7.230 -11.170 16.729 1.00 10.00 H new ATOM 0 HB2 ASP A 65 8.218 -12.762 18.414 1.00 10.00 H new ATOM 0 HB3 ASP A 65 6.890 -13.862 18.103 1.00 10.00 H new ATOM 1043 N ALA A 66 5.139 -11.426 15.368 1.00 10.00 N ATOM 1044 CA ALA A 66 4.152 -11.663 14.307 1.00 10.00 C ATOM 1045 C ALA A 66 4.656 -12.654 13.233 1.00 10.00 C ATOM 1046 O ALA A 66 5.846 -12.953 13.157 1.00 10.00 O ATOM 1047 CB ALA A 66 3.799 -10.304 13.689 1.00 10.00 C ATOM 0 H ALA A 66 5.563 -10.500 15.315 1.00 10.00 H new ATOM 0 HA ALA A 66 3.267 -12.131 14.739 1.00 10.00 H new ATOM 0 HB1 ALA A 66 3.066 -10.445 12.895 1.00 10.00 H new ATOM 0 HB2 ALA A 66 3.382 -9.652 14.457 1.00 10.00 H new ATOM 0 HB3 ALA A 66 4.698 -9.848 13.276 1.00 10.00 H new ATOM 1053 N ASP A 67 3.775 -13.114 12.332 1.00 10.00 N ATOM 1054 CA ASP A 67 4.117 -14.225 11.438 1.00 10.00 C ATOM 1055 C ASP A 67 4.859 -13.736 10.170 1.00 10.00 C ATOM 1056 O ASP A 67 4.484 -12.706 9.590 1.00 10.00 O ATOM 1057 CB ASP A 67 2.841 -14.963 10.991 1.00 10.00 C ATOM 1058 CG ASP A 67 1.870 -15.287 12.129 1.00 10.00 C ATOM 1059 OD1 ASP A 67 1.222 -14.328 12.608 1.00 10.00 O ATOM 1060 OD2 ASP A 67 1.755 -16.485 12.468 1.00 10.00 O ATOM 0 H ASP A 67 2.835 -12.739 12.205 1.00 10.00 H new ATOM 0 HA ASP A 67 4.771 -14.892 11.999 1.00 10.00 H new ATOM 0 HB2 ASP A 67 2.324 -14.354 10.250 1.00 10.00 H new ATOM 0 HB3 ASP A 67 3.127 -15.892 10.497 1.00 10.00 H new ATOM 1065 N PRO A 68 5.887 -14.485 9.701 1.00 10.00 N ATOM 1066 CA PRO A 68 6.739 -14.141 8.556 1.00 10.00 C ATOM 1067 C PRO A 68 5.997 -14.289 7.215 1.00 10.00 C ATOM 1068 O PRO A 68 6.250 -15.194 6.421 1.00 10.00 O ATOM 1069 CB PRO A 68 7.981 -15.032 8.685 1.00 10.00 C ATOM 1070 CG PRO A 68 7.429 -16.287 9.354 1.00 10.00 C ATOM 1071 CD PRO A 68 6.378 -15.720 10.306 1.00 10.00 C ATOM 0 HA PRO A 68 7.030 -13.091 8.564 1.00 10.00 H new ATOM 0 HB2 PRO A 68 8.423 -15.253 7.713 1.00 10.00 H new ATOM 0 HB3 PRO A 68 8.757 -14.560 9.288 1.00 10.00 H new ATOM 0 HG2 PRO A 68 6.992 -16.974 8.629 1.00 10.00 H new ATOM 0 HG3 PRO A 68 8.204 -16.837 9.887 1.00 10.00 H new ATOM 0 HD2 PRO A 68 5.564 -16.430 10.451 1.00 10.00 H new ATOM 0 HD3 PRO A 68 6.810 -15.525 11.288 1.00 10.00 H new ATOM 1079 N GLY A 69 5.034 -13.393 7.010 1.00 10.00 N ATOM 1080 CA GLY A 69 4.171 -13.304 5.835 1.00 10.00 C ATOM 1081 C GLY A 69 3.122 -12.188 5.916 1.00 10.00 C ATOM 1082 O GLY A 69 2.560 -11.821 4.889 1.00 10.00 O ATOM 0 H GLY A 69 4.824 -12.670 7.698 1.00 10.00 H new ATOM 0 HA2 GLY A 69 4.791 -13.143 4.953 1.00 10.00 H new ATOM 0 HA3 GLY A 69 3.662 -14.258 5.697 1.00 10.00 H new ATOM 1086 N ILE A 70 2.844 -11.619 7.101 1.00 10.00 N ATOM 1087 CA ILE A 70 1.826 -10.583 7.290 1.00 10.00 C ATOM 1088 C ILE A 70 2.116 -9.308 6.483 1.00 10.00 C ATOM 1089 O ILE A 70 1.196 -8.707 5.932 1.00 10.00 O ATOM 1090 CB ILE A 70 1.704 -10.322 8.810 1.00 10.00 C ATOM 1091 CG1 ILE A 70 1.052 -11.569 9.451 1.00 10.00 C ATOM 1092 CG2 ILE A 70 0.953 -9.018 9.104 1.00 10.00 C ATOM 1093 CD1 ILE A 70 0.579 -11.423 10.898 1.00 10.00 C ATOM 0 H ILE A 70 3.328 -11.872 7.962 1.00 10.00 H new ATOM 0 HA ILE A 70 0.869 -10.929 6.900 1.00 10.00 H new ATOM 0 HB ILE A 70 2.688 -10.175 9.255 1.00 10.00 H new ATOM 0 HG12 ILE A 70 0.197 -11.859 8.840 1.00 10.00 H new ATOM 0 HG13 ILE A 70 1.768 -12.389 9.407 1.00 10.00 H new ATOM 0 HG21 ILE A 70 0.888 -8.871 10.182 1.00 10.00 H new ATOM 0 HG22 ILE A 70 1.488 -8.181 8.655 1.00 10.00 H new ATOM 0 HG23 ILE A 70 -0.051 -9.074 8.685 1.00 10.00 H new ATOM 0 HD11 ILE A 70 0.141 -12.363 11.234 1.00 10.00 H new ATOM 0 HD12 ILE A 70 1.427 -11.170 11.534 1.00 10.00 H new ATOM 0 HD13 ILE A 70 -0.168 -10.632 10.958 1.00 10.00 H new ATOM 1105 N VAL A 71 3.387 -8.907 6.393 1.00 10.00 N ATOM 1106 CA VAL A 71 3.827 -7.759 5.587 1.00 10.00 C ATOM 1107 C VAL A 71 3.630 -8.052 4.102 1.00 10.00 C ATOM 1108 O VAL A 71 3.022 -7.259 3.390 1.00 10.00 O ATOM 1109 CB VAL A 71 5.315 -7.488 5.851 1.00 10.00 C ATOM 1110 CG1 VAL A 71 5.877 -6.380 4.955 1.00 10.00 C ATOM 1111 CG2 VAL A 71 5.567 -7.112 7.316 1.00 10.00 C ATOM 0 H VAL A 71 4.150 -9.374 6.883 1.00 10.00 H new ATOM 0 HA VAL A 71 3.235 -6.887 5.864 1.00 10.00 H new ATOM 0 HB VAL A 71 5.830 -8.420 5.617 1.00 10.00 H new ATOM 0 HG11 VAL A 71 6.932 -6.228 5.182 1.00 10.00 H new ATOM 0 HG12 VAL A 71 5.769 -6.668 3.909 1.00 10.00 H new ATOM 0 HG13 VAL A 71 5.330 -5.454 5.135 1.00 10.00 H new ATOM 0 HG21 VAL A 71 6.631 -6.927 7.466 1.00 10.00 H new ATOM 0 HG22 VAL A 71 5.004 -6.212 7.563 1.00 10.00 H new ATOM 0 HG23 VAL A 71 5.246 -7.929 7.962 1.00 10.00 H new ATOM 1121 N ASP A 72 4.124 -9.207 3.654 1.00 10.00 N ATOM 1122 CA ASP A 72 4.003 -9.728 2.296 1.00 10.00 C ATOM 1123 C ASP A 72 2.534 -9.785 1.859 1.00 10.00 C ATOM 1124 O ASP A 72 2.199 -9.290 0.785 1.00 10.00 O ATOM 1125 CB ASP A 72 4.661 -11.120 2.225 1.00 10.00 C ATOM 1126 CG ASP A 72 6.024 -11.183 2.929 1.00 10.00 C ATOM 1127 OD1 ASP A 72 6.024 -11.070 4.181 1.00 10.00 O ATOM 1128 OD2 ASP A 72 7.038 -11.328 2.214 1.00 10.00 O ATOM 0 H ASP A 72 4.647 -9.836 4.263 1.00 10.00 H new ATOM 0 HA ASP A 72 4.518 -9.058 1.607 1.00 10.00 H new ATOM 0 HB2 ASP A 72 3.993 -11.854 2.676 1.00 10.00 H new ATOM 0 HB3 ASP A 72 4.786 -11.402 1.180 1.00 10.00 H new ATOM 1133 N GLU A 73 1.647 -10.284 2.733 1.00 10.00 N ATOM 1134 CA GLU A 73 0.200 -10.255 2.533 1.00 10.00 C ATOM 1135 C GLU A 73 -0.345 -8.821 2.492 1.00 10.00 C ATOM 1136 O GLU A 73 -1.212 -8.546 1.665 1.00 10.00 O ATOM 1137 CB GLU A 73 -0.528 -10.997 3.665 1.00 10.00 C ATOM 1138 CG GLU A 73 -0.515 -12.531 3.607 1.00 10.00 C ATOM 1139 CD GLU A 73 -1.270 -13.130 4.809 1.00 10.00 C ATOM 1140 OE1 GLU A 73 -2.290 -12.551 5.249 1.00 10.00 O ATOM 1141 OE2 GLU A 73 -0.834 -14.167 5.357 1.00 10.00 O ATOM 0 H GLU A 73 1.924 -10.725 3.610 1.00 10.00 H new ATOM 0 HA GLU A 73 0.017 -10.743 1.576 1.00 10.00 H new ATOM 0 HB2 GLU A 73 -0.086 -10.689 4.613 1.00 10.00 H new ATOM 0 HB3 GLU A 73 -1.567 -10.666 3.675 1.00 10.00 H new ATOM 0 HG2 GLU A 73 -0.975 -12.868 2.678 1.00 10.00 H new ATOM 0 HG3 GLU A 73 0.514 -12.891 3.602 1.00 10.00 H new ATOM 1148 N ALA A 74 0.145 -7.895 3.332 1.00 10.00 N ATOM 1149 CA ALA A 74 -0.350 -6.513 3.311 1.00 10.00 C ATOM 1150 C ALA A 74 0.017 -5.808 1.998 1.00 10.00 C ATOM 1151 O ALA A 74 -0.807 -5.128 1.383 1.00 10.00 O ATOM 1152 CB ALA A 74 0.214 -5.743 4.511 1.00 10.00 C ATOM 0 H ALA A 74 0.873 -8.076 4.024 1.00 10.00 H new ATOM 0 HA ALA A 74 -1.438 -6.536 3.378 1.00 10.00 H new ATOM 0 HB1 ALA A 74 -0.156 -4.718 4.492 1.00 10.00 H new ATOM 0 HB2 ALA A 74 -0.104 -6.226 5.435 1.00 10.00 H new ATOM 0 HB3 ALA A 74 1.303 -5.737 4.460 1.00 10.00 H new ATOM 1158 N VAL A 75 1.261 -6.009 1.559 1.00 10.00 N ATOM 1159 CA VAL A 75 1.818 -5.479 0.318 1.00 10.00 C ATOM 1160 C VAL A 75 1.128 -6.111 -0.905 1.00 10.00 C ATOM 1161 O VAL A 75 0.673 -5.381 -1.781 1.00 10.00 O ATOM 1162 CB VAL A 75 3.348 -5.678 0.365 1.00 10.00 C ATOM 1163 CG1 VAL A 75 4.015 -5.427 -0.983 1.00 10.00 C ATOM 1164 CG2 VAL A 75 3.981 -4.733 1.400 1.00 10.00 C ATOM 0 H VAL A 75 1.934 -6.569 2.082 1.00 10.00 H new ATOM 0 HA VAL A 75 1.627 -4.411 0.216 1.00 10.00 H new ATOM 0 HB VAL A 75 3.511 -6.720 0.642 1.00 10.00 H new ATOM 0 HG11 VAL A 75 5.090 -5.581 -0.891 1.00 10.00 H new ATOM 0 HG12 VAL A 75 3.611 -6.118 -1.723 1.00 10.00 H new ATOM 0 HG13 VAL A 75 3.821 -4.402 -1.300 1.00 10.00 H new ATOM 0 HG21 VAL A 75 5.060 -4.886 1.421 1.00 10.00 H new ATOM 0 HG22 VAL A 75 3.766 -3.699 1.128 1.00 10.00 H new ATOM 0 HG23 VAL A 75 3.566 -4.943 2.386 1.00 10.00 H new ATOM 1174 N ASP A 76 0.938 -7.435 -0.936 1.00 10.00 N ATOM 1175 CA ASP A 76 0.127 -8.150 -1.930 1.00 10.00 C ATOM 1176 C ASP A 76 -1.338 -7.676 -1.952 1.00 10.00 C ATOM 1177 O ASP A 76 -1.899 -7.471 -3.027 1.00 10.00 O ATOM 1178 CB ASP A 76 0.224 -9.654 -1.633 1.00 10.00 C ATOM 1179 CG ASP A 76 -0.531 -10.515 -2.643 1.00 10.00 C ATOM 1180 OD1 ASP A 76 -0.205 -10.472 -3.844 1.00 10.00 O ATOM 1181 OD2 ASP A 76 -1.459 -11.252 -2.236 1.00 10.00 O ATOM 0 H ASP A 76 1.358 -8.059 -0.247 1.00 10.00 H new ATOM 0 HA ASP A 76 0.518 -7.936 -2.925 1.00 10.00 H new ATOM 0 HB2 ASP A 76 1.273 -9.950 -1.625 1.00 10.00 H new ATOM 0 HB3 ASP A 76 -0.169 -9.847 -0.635 1.00 10.00 H new ATOM 1186 N ALA A 77 -1.953 -7.416 -0.792 1.00 10.00 N ATOM 1187 CA ALA A 77 -3.303 -6.854 -0.720 1.00 10.00 C ATOM 1188 C ALA A 77 -3.362 -5.431 -1.299 1.00 10.00 C ATOM 1189 O ALA A 77 -4.311 -5.102 -2.020 1.00 10.00 O ATOM 1190 CB ALA A 77 -3.799 -6.894 0.729 1.00 10.00 C ATOM 0 H ALA A 77 -1.529 -7.589 0.119 1.00 10.00 H new ATOM 0 HA ALA A 77 -3.965 -7.464 -1.335 1.00 10.00 H new ATOM 0 HB1 ALA A 77 -4.804 -6.475 0.781 1.00 10.00 H new ATOM 0 HB2 ALA A 77 -3.817 -7.926 1.079 1.00 10.00 H new ATOM 0 HB3 ALA A 77 -3.129 -6.309 1.359 1.00 10.00 H new ATOM 1196 N ALA A 78 -2.339 -4.603 -1.046 1.00 10.00 N ATOM 1197 CA ALA A 78 -2.183 -3.308 -1.704 1.00 10.00 C ATOM 1198 C ALA A 78 -1.984 -3.456 -3.223 1.00 10.00 C ATOM 1199 O ALA A 78 -2.643 -2.747 -3.982 1.00 10.00 O ATOM 1200 CB ALA A 78 -1.042 -2.533 -1.036 1.00 10.00 C ATOM 0 H ALA A 78 -1.598 -4.817 -0.378 1.00 10.00 H new ATOM 0 HA ALA A 78 -3.103 -2.736 -1.583 1.00 10.00 H new ATOM 0 HB1 ALA A 78 -0.924 -1.566 -1.525 1.00 10.00 H new ATOM 0 HB2 ALA A 78 -1.274 -2.380 0.018 1.00 10.00 H new ATOM 0 HB3 ALA A 78 -0.116 -3.101 -1.125 1.00 10.00 H new ATOM 1206 N TYR A 79 -1.162 -4.410 -3.687 1.00 10.00 N ATOM 1207 CA TYR A 79 -0.986 -4.674 -5.119 1.00 10.00 C ATOM 1208 C TYR A 79 -2.280 -5.147 -5.800 1.00 10.00 C ATOM 1209 O TYR A 79 -2.630 -4.618 -6.853 1.00 10.00 O ATOM 1210 CB TYR A 79 0.111 -5.731 -5.332 1.00 10.00 C ATOM 1211 CG TYR A 79 1.544 -5.255 -5.186 1.00 10.00 C ATOM 1212 CD1 TYR A 79 2.026 -4.246 -6.048 1.00 10.00 C ATOM 1213 CD2 TYR A 79 2.422 -5.887 -4.279 1.00 10.00 C ATOM 1214 CE1 TYR A 79 3.380 -3.861 -6.013 1.00 10.00 C ATOM 1215 CE2 TYR A 79 3.790 -5.542 -4.290 1.00 10.00 C ATOM 1216 CZ TYR A 79 4.268 -4.522 -5.138 1.00 10.00 C ATOM 1217 OH TYR A 79 5.589 -4.195 -5.109 1.00 10.00 O ATOM 0 H TYR A 79 -0.605 -5.015 -3.083 1.00 10.00 H new ATOM 0 HA TYR A 79 -0.697 -3.728 -5.577 1.00 10.00 H new ATOM 0 HB2 TYR A 79 -0.054 -6.542 -4.622 1.00 10.00 H new ATOM 0 HB3 TYR A 79 -0.009 -6.152 -6.330 1.00 10.00 H new ATOM 0 HD1 TYR A 79 1.350 -3.765 -6.740 1.00 10.00 H new ATOM 0 HD2 TYR A 79 2.051 -6.626 -3.585 1.00 10.00 H new ATOM 0 HE1 TYR A 79 3.736 -3.066 -6.651 1.00 10.00 H new ATOM 0 HE2 TYR A 79 4.478 -6.065 -3.642 1.00 10.00 H new ATOM 0 HH TYR A 79 6.049 -4.751 -4.446 1.00 10.00 H new ATOM 1227 N ARG A 80 -3.051 -6.053 -5.179 1.00 10.00 N ATOM 1228 CA ARG A 80 -4.360 -6.487 -5.705 1.00 10.00 C ATOM 1229 C ARG A 80 -5.356 -5.327 -5.743 1.00 10.00 C ATOM 1230 O ARG A 80 -6.074 -5.154 -6.727 1.00 10.00 O ATOM 1231 CB ARG A 80 -4.920 -7.640 -4.857 1.00 10.00 C ATOM 1232 CG ARG A 80 -4.115 -8.935 -5.030 1.00 10.00 C ATOM 1233 CD ARG A 80 -4.608 -10.012 -4.056 1.00 10.00 C ATOM 1234 NE ARG A 80 -3.592 -11.055 -3.871 1.00 10.00 N ATOM 1235 CZ ARG A 80 -3.262 -12.057 -4.666 1.00 10.00 C ATOM 1236 NH1 ARG A 80 -3.949 -12.378 -5.738 1.00 10.00 N ATOM 1237 NH2 ARG A 80 -2.192 -12.738 -4.358 1.00 10.00 N ATOM 0 H ARG A 80 -2.789 -6.505 -4.303 1.00 10.00 H new ATOM 0 HA ARG A 80 -4.211 -6.837 -6.727 1.00 10.00 H new ATOM 0 HB2 ARG A 80 -4.916 -7.350 -3.806 1.00 10.00 H new ATOM 0 HB3 ARG A 80 -5.959 -7.821 -5.134 1.00 10.00 H new ATOM 0 HG2 ARG A 80 -4.209 -9.294 -6.055 1.00 10.00 H new ATOM 0 HG3 ARG A 80 -3.057 -8.738 -4.857 1.00 10.00 H new ATOM 0 HD2 ARG A 80 -4.847 -9.557 -3.095 1.00 10.00 H new ATOM 0 HD3 ARG A 80 -5.528 -10.458 -4.435 1.00 10.00 H new ATOM 0 HE ARG A 80 -3.063 -10.998 -3.001 1.00 10.00 H new ATOM 0 HH11 ARG A 80 -4.780 -11.844 -5.990 1.00 10.00 H new ATOM 0 HH12 ARG A 80 -3.651 -13.162 -6.319 1.00 10.00 H new ATOM 0 HH21 ARG A 80 -1.649 -12.488 -3.532 1.00 10.00 H new ATOM 0 HH22 ARG A 80 -1.899 -13.520 -4.943 1.00 10.00 H new ATOM 1251 N SER A 81 -5.345 -4.500 -4.692 1.00 10.00 N ATOM 1252 CA SER A 81 -6.165 -3.289 -4.605 1.00 10.00 C ATOM 1253 C SER A 81 -5.789 -2.277 -5.692 1.00 10.00 C ATOM 1254 O SER A 81 -6.673 -1.628 -6.247 1.00 10.00 O ATOM 1255 CB SER A 81 -6.027 -2.642 -3.221 1.00 10.00 C ATOM 1256 OG SER A 81 -6.336 -3.567 -2.196 1.00 10.00 O ATOM 0 H SER A 81 -4.761 -4.655 -3.870 1.00 10.00 H new ATOM 0 HA SER A 81 -7.202 -3.585 -4.760 1.00 10.00 H new ATOM 0 HB2 SER A 81 -5.010 -2.273 -3.088 1.00 10.00 H new ATOM 0 HB3 SER A 81 -6.691 -1.780 -3.151 1.00 10.00 H new ATOM 0 HG SER A 81 -5.649 -4.265 -2.168 1.00 10.00 H new ATOM 1262 N LEU A 82 -4.497 -2.169 -6.032 1.00 10.00 N ATOM 1263 CA LEU A 82 -4.021 -1.330 -7.126 1.00 10.00 C ATOM 1264 C LEU A 82 -4.409 -1.881 -8.499 1.00 10.00 C ATOM 1265 O LEU A 82 -4.904 -1.118 -9.324 1.00 10.00 O ATOM 1266 CB LEU A 82 -2.497 -1.165 -7.027 1.00 10.00 C ATOM 1267 CG LEU A 82 -1.931 -0.031 -7.904 1.00 10.00 C ATOM 1268 CD1 LEU A 82 -2.589 1.334 -7.650 1.00 10.00 C ATOM 1269 CD2 LEU A 82 -0.433 0.090 -7.628 1.00 10.00 C ATOM 0 H LEU A 82 -3.751 -2.668 -5.547 1.00 10.00 H new ATOM 0 HA LEU A 82 -4.505 -0.358 -7.028 1.00 10.00 H new ATOM 0 HB2 LEU A 82 -2.229 -0.975 -5.988 1.00 10.00 H new ATOM 0 HB3 LEU A 82 -2.021 -2.103 -7.312 1.00 10.00 H new ATOM 0 HG LEU A 82 -2.141 -0.294 -8.941 1.00 10.00 H new ATOM 0 HD11 LEU A 82 -2.139 2.082 -8.303 1.00 10.00 H new ATOM 0 HD12 LEU A 82 -3.657 1.267 -7.857 1.00 10.00 H new ATOM 0 HD13 LEU A 82 -2.438 1.623 -6.610 1.00 10.00 H new ATOM 0 HD21 LEU A 82 -0.014 0.888 -8.240 1.00 10.00 H new ATOM 0 HD22 LEU A 82 -0.275 0.319 -6.574 1.00 10.00 H new ATOM 0 HD23 LEU A 82 0.059 -0.851 -7.872 1.00 10.00 H new ATOM 1281 N GLU A 83 -4.245 -3.185 -8.752 1.00 10.00 N ATOM 1282 CA GLU A 83 -4.643 -3.756 -10.043 1.00 10.00 C ATOM 1283 C GLU A 83 -6.139 -3.530 -10.302 1.00 10.00 C ATOM 1284 O GLU A 83 -6.493 -3.043 -11.376 1.00 10.00 O ATOM 1285 CB GLU A 83 -4.290 -5.252 -10.115 1.00 10.00 C ATOM 1286 CG GLU A 83 -2.780 -5.536 -10.180 1.00 10.00 C ATOM 1287 CD GLU A 83 -2.146 -5.075 -11.499 1.00 10.00 C ATOM 1288 OE1 GLU A 83 -1.874 -3.858 -11.616 1.00 10.00 O ATOM 1289 OE2 GLU A 83 -1.933 -5.946 -12.372 1.00 10.00 O ATOM 0 H GLU A 83 -3.847 -3.854 -8.093 1.00 10.00 H new ATOM 0 HA GLU A 83 -4.085 -3.243 -10.826 1.00 10.00 H new ATOM 0 HB2 GLU A 83 -4.707 -5.755 -9.243 1.00 10.00 H new ATOM 0 HB3 GLU A 83 -4.769 -5.686 -10.993 1.00 10.00 H new ATOM 0 HG2 GLU A 83 -2.284 -5.035 -9.349 1.00 10.00 H new ATOM 0 HG3 GLU A 83 -2.610 -6.605 -10.054 1.00 10.00 H new ATOM 1296 N SER A 84 -7.002 -3.690 -9.285 1.00 10.00 N ATOM 1297 CA SER A 84 -8.422 -3.345 -9.431 1.00 10.00 C ATOM 1298 C SER A 84 -8.742 -1.851 -9.438 1.00 10.00 C ATOM 1299 O SER A 84 -9.810 -1.465 -9.910 1.00 10.00 O ATOM 1300 CB SER A 84 -9.342 -4.185 -8.547 1.00 10.00 C ATOM 1301 OG SER A 84 -9.443 -5.490 -9.095 1.00 10.00 O ATOM 0 H SER A 84 -6.745 -4.051 -8.366 1.00 10.00 H new ATOM 0 HA SER A 84 -8.658 -3.638 -10.454 1.00 10.00 H new ATOM 0 HB2 SER A 84 -8.948 -4.232 -7.532 1.00 10.00 H new ATOM 0 HB3 SER A 84 -10.328 -3.725 -8.485 1.00 10.00 H new ATOM 0 HG SER A 84 -10.031 -6.036 -8.532 1.00 10.00 H new ATOM 1307 N PHE A 85 -7.838 -0.988 -8.967 1.00 10.00 N ATOM 1308 CA PHE A 85 -7.948 0.448 -9.220 1.00 10.00 C ATOM 1309 C PHE A 85 -7.777 0.706 -10.733 1.00 10.00 C ATOM 1310 O PHE A 85 -8.531 1.491 -11.312 1.00 10.00 O ATOM 1311 CB PHE A 85 -6.906 1.191 -8.367 1.00 10.00 C ATOM 1312 CG PHE A 85 -7.028 2.699 -8.302 1.00 10.00 C ATOM 1313 CD1 PHE A 85 -6.727 3.481 -9.433 1.00 10.00 C ATOM 1314 CD2 PHE A 85 -7.345 3.327 -7.082 1.00 10.00 C ATOM 1315 CE1 PHE A 85 -6.726 4.883 -9.339 1.00 10.00 C ATOM 1316 CE2 PHE A 85 -7.354 4.730 -6.991 1.00 10.00 C ATOM 1317 CZ PHE A 85 -7.040 5.508 -8.119 1.00 10.00 C ATOM 0 H PHE A 85 -7.026 -1.258 -8.411 1.00 10.00 H new ATOM 0 HA PHE A 85 -8.930 0.825 -8.933 1.00 10.00 H new ATOM 0 HB2 PHE A 85 -6.959 0.802 -7.350 1.00 10.00 H new ATOM 0 HB3 PHE A 85 -5.916 0.946 -8.751 1.00 10.00 H new ATOM 0 HD1 PHE A 85 -6.497 3.003 -10.374 1.00 10.00 H new ATOM 0 HD2 PHE A 85 -7.582 2.729 -6.214 1.00 10.00 H new ATOM 0 HE1 PHE A 85 -6.484 5.481 -10.205 1.00 10.00 H new ATOM 0 HE2 PHE A 85 -7.602 5.209 -6.056 1.00 10.00 H new ATOM 0 HZ PHE A 85 -7.040 6.586 -8.049 1.00 10.00 H new ATOM 1327 N LEU A 86 -6.832 0.013 -11.396 1.00 10.00 N ATOM 1328 CA LEU A 86 -6.655 0.095 -12.850 1.00 10.00 C ATOM 1329 C LEU A 86 -7.692 -0.695 -13.664 1.00 10.00 C ATOM 1330 O LEU A 86 -7.945 -0.283 -14.799 1.00 10.00 O ATOM 1331 CB LEU A 86 -5.229 -0.267 -13.300 1.00 10.00 C ATOM 1332 CG LEU A 86 -4.105 0.747 -12.964 1.00 10.00 C ATOM 1333 CD1 LEU A 86 -4.489 2.213 -13.215 1.00 10.00 C ATOM 1334 CD2 LEU A 86 -3.598 0.656 -11.525 1.00 10.00 C ATOM 0 H LEU A 86 -6.174 -0.616 -10.936 1.00 10.00 H new ATOM 0 HA LEU A 86 -6.827 1.148 -13.071 1.00 10.00 H new ATOM 0 HB2 LEU A 86 -4.966 -1.225 -12.852 1.00 10.00 H new ATOM 0 HB3 LEU A 86 -5.242 -0.413 -14.380 1.00 10.00 H new ATOM 0 HG LEU A 86 -3.315 0.451 -13.654 1.00 10.00 H new ATOM 0 HD11 LEU A 86 -3.650 2.858 -12.956 1.00 10.00 H new ATOM 0 HD12 LEU A 86 -4.739 2.348 -14.267 1.00 10.00 H new ATOM 0 HD13 LEU A 86 -5.351 2.474 -12.600 1.00 10.00 H new ATOM 0 HD21 LEU A 86 -2.814 1.397 -11.368 1.00 10.00 H new ATOM 0 HD22 LEU A 86 -4.421 0.848 -10.836 1.00 10.00 H new ATOM 0 HD23 LEU A 86 -3.197 -0.341 -11.343 1.00 10.00 H new