USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 570 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 80 GLN : amide:sc= -2.03 K(o=-6.6,f=-3.8!) USER MOD Set 1.2: A 84 GLN : amide:sc= -4.53! K(o=-6.6!,f=-2) USER MOD Set 2.1: A 46 GLN : amide:sc= -0.659 K(o=-1.3,f=0.21) USER MOD Set 2.2: A 48 LYS NZ :NH3+ 177:sc= -0.649 (180deg=-0.0951) USER MOD Set 3.1: A 26 CYS SG : rot 180:sc= -0.251 USER MOD Set 3.2: A 28 HIS : no HD1:sc= -0.185 X(o=0.058,f=-0.12) USER MOD Set 3.3: A 53 TYR OH : rot -61:sc= 0.494 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.0896 K(o=-0.09,f=-1.2) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -132:sc= -1.32 (180deg=-4.31!) USER MOD Single : A 37 CYS SG : rot 180:sc= -0.697 USER MOD Single : A 39 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0229) USER MOD Single : A 43 LYS NZ :NH3+ 163:sc=-0.00389 (180deg=-0.128) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot -173:sc= -2.01 USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 161:sc= -0.0445 (180deg=-0.696) USER MOD Single : A 72 TYR OH : rot 150:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.00502 USER MOD Single : A 76 ASN : amide:sc= -6.07! C(o=-6.1!,f=-4.5!) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0809) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 158 N PRO A 14 6.689 18.553 3.800 1.00 0.00 N ATOM 159 CA PRO A 14 7.534 17.377 4.028 1.00 0.00 C ATOM 160 C PRO A 14 7.864 16.641 2.734 1.00 0.00 C ATOM 161 O PRO A 14 7.274 16.908 1.687 1.00 0.00 O ATOM 162 CB PRO A 14 6.677 16.497 4.941 1.00 0.00 C ATOM 163 CG PRO A 14 5.273 16.901 4.648 1.00 0.00 C ATOM 164 CD PRO A 14 5.324 18.368 4.320 1.00 0.00 C ATOM 0 HA PRO A 14 8.500 17.645 4.456 1.00 0.00 H new ATOM 0 HB2 PRO A 14 6.836 15.439 4.734 1.00 0.00 H new ATOM 0 HB3 PRO A 14 6.924 16.657 5.991 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.868 16.328 3.813 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.626 16.715 5.506 1.00 0.00 H new ATOM 0 HD2 PRO A 14 4.572 18.641 3.580 1.00 0.00 H new ATOM 0 HD3 PRO A 14 5.143 18.983 5.201 1.00 0.00 H new ATOM 172 N LYS A 15 8.810 15.711 2.813 1.00 0.00 N ATOM 173 CA LYS A 15 9.218 14.934 1.649 1.00 0.00 C ATOM 174 C LYS A 15 8.949 13.448 1.865 1.00 0.00 C ATOM 175 O LYS A 15 9.224 12.891 2.928 1.00 0.00 O ATOM 176 CB LYS A 15 10.704 15.157 1.356 1.00 0.00 C ATOM 177 CG LYS A 15 11.155 14.582 0.025 1.00 0.00 C ATOM 178 CD LYS A 15 10.762 15.483 -1.134 1.00 0.00 C ATOM 179 CE LYS A 15 10.969 14.792 -2.473 1.00 0.00 C ATOM 180 NZ LYS A 15 10.622 15.682 -3.615 1.00 0.00 N ATOM 0 H LYS A 15 9.309 15.477 3.672 1.00 0.00 H new ATOM 0 HA LYS A 15 8.631 15.271 0.795 1.00 0.00 H new ATOM 0 HB2 LYS A 15 10.912 16.227 1.369 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.294 14.708 2.155 1.00 0.00 H new ATOM 0 HG2 LYS A 15 12.237 14.449 0.033 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.714 13.595 -0.114 1.00 0.00 H new ATOM 0 HD2 LYS A 15 9.717 15.774 -1.032 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.353 16.399 -1.101 1.00 0.00 H new ATOM 0 HE2 LYS A 15 12.008 14.476 -2.562 1.00 0.00 H new ATOM 0 HE3 LYS A 15 10.357 13.891 -2.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 10.776 15.175 -4.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.623 15.964 -3.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 11.224 16.530 -3.590 1.00 0.00 H new ATOM 194 N PRO A 16 8.400 12.789 0.834 1.00 0.00 N ATOM 195 CA PRO A 16 8.084 11.359 0.887 1.00 0.00 C ATOM 196 C PRO A 16 9.336 10.488 0.904 1.00 0.00 C ATOM 197 O PRO A 16 10.415 10.926 0.501 1.00 0.00 O ATOM 198 CB PRO A 16 7.287 11.124 -0.399 1.00 0.00 C ATOM 199 CG PRO A 16 7.740 12.197 -1.327 1.00 0.00 C ATOM 200 CD PRO A 16 8.047 13.389 -0.464 1.00 0.00 C ATOM 0 HA PRO A 16 7.542 11.095 1.795 1.00 0.00 H new ATOM 0 HB2 PRO A 16 7.484 10.135 -0.812 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.214 11.185 -0.217 1.00 0.00 H new ATOM 0 HG2 PRO A 16 8.621 11.883 -1.886 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.966 12.433 -2.058 1.00 0.00 H new ATOM 0 HD2 PRO A 16 8.869 13.979 -0.871 1.00 0.00 H new ATOM 0 HD3 PRO A 16 7.188 14.055 -0.379 1.00 0.00 H new ATOM 208 N LYS A 17 9.187 9.254 1.371 1.00 0.00 N ATOM 209 CA LYS A 17 10.305 8.320 1.439 1.00 0.00 C ATOM 210 C LYS A 17 10.277 7.351 0.262 1.00 0.00 C ATOM 211 O LYS A 17 11.310 7.061 -0.341 1.00 0.00 O ATOM 212 CB LYS A 17 10.267 7.542 2.756 1.00 0.00 C ATOM 213 CG LYS A 17 10.517 8.405 3.980 1.00 0.00 C ATOM 214 CD LYS A 17 10.570 7.571 5.249 1.00 0.00 C ATOM 215 CE LYS A 17 11.982 7.087 5.541 1.00 0.00 C ATOM 216 NZ LYS A 17 12.085 6.453 6.884 1.00 0.00 N ATOM 0 H LYS A 17 8.302 8.876 1.709 1.00 0.00 H new ATOM 0 HA LYS A 17 11.230 8.895 1.391 1.00 0.00 H new ATOM 0 HB2 LYS A 17 9.295 7.059 2.855 1.00 0.00 H new ATOM 0 HB3 LYS A 17 11.015 6.750 2.722 1.00 0.00 H new ATOM 0 HG2 LYS A 17 11.456 8.946 3.859 1.00 0.00 H new ATOM 0 HG3 LYS A 17 9.728 9.152 4.067 1.00 0.00 H new ATOM 0 HD2 LYS A 17 10.206 8.162 6.089 1.00 0.00 H new ATOM 0 HD3 LYS A 17 9.904 6.714 5.150 1.00 0.00 H new ATOM 0 HE2 LYS A 17 12.285 6.371 4.777 1.00 0.00 H new ATOM 0 HE3 LYS A 17 12.673 7.928 5.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 13.063 6.137 7.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 11.820 7.144 7.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 11.444 5.635 6.932 1.00 0.00 H new ATOM 230 N PHE A 18 9.087 6.853 -0.060 1.00 0.00 N ATOM 231 CA PHE A 18 8.924 5.916 -1.166 1.00 0.00 C ATOM 232 C PHE A 18 8.728 6.660 -2.484 1.00 0.00 C ATOM 233 O PHE A 18 8.422 7.852 -2.496 1.00 0.00 O ATOM 234 CB PHE A 18 7.734 4.991 -0.907 1.00 0.00 C ATOM 235 CG PHE A 18 7.695 4.440 0.490 1.00 0.00 C ATOM 236 CD1 PHE A 18 7.192 5.199 1.534 1.00 0.00 C ATOM 237 CD2 PHE A 18 8.161 3.164 0.759 1.00 0.00 C ATOM 238 CE1 PHE A 18 7.156 4.695 2.821 1.00 0.00 C ATOM 239 CE2 PHE A 18 8.128 2.654 2.043 1.00 0.00 C ATOM 240 CZ PHE A 18 7.623 3.421 3.075 1.00 0.00 C ATOM 0 H PHE A 18 8.222 7.083 0.429 1.00 0.00 H new ATOM 0 HA PHE A 18 9.831 5.317 -1.239 1.00 0.00 H new ATOM 0 HB2 PHE A 18 6.811 5.538 -1.099 1.00 0.00 H new ATOM 0 HB3 PHE A 18 7.767 4.163 -1.615 1.00 0.00 H new ATOM 0 HD1 PHE A 18 6.824 6.196 1.340 1.00 0.00 H new ATOM 0 HD2 PHE A 18 8.555 2.560 -0.045 1.00 0.00 H new ATOM 0 HE1 PHE A 18 6.763 5.297 3.627 1.00 0.00 H new ATOM 0 HE2 PHE A 18 8.496 1.658 2.239 1.00 0.00 H new ATOM 0 HZ PHE A 18 7.594 3.024 4.079 1.00 0.00 H new ATOM 250 N GLN A 19 8.907 5.946 -3.591 1.00 0.00 N ATOM 251 CA GLN A 19 8.751 6.538 -4.914 1.00 0.00 C ATOM 252 C GLN A 19 7.704 5.784 -5.728 1.00 0.00 C ATOM 253 O GLN A 19 7.404 4.624 -5.447 1.00 0.00 O ATOM 254 CB GLN A 19 10.088 6.539 -5.657 1.00 0.00 C ATOM 255 CG GLN A 19 10.995 7.697 -5.275 1.00 0.00 C ATOM 256 CD GLN A 19 10.474 9.033 -5.766 1.00 0.00 C ATOM 257 OE1 GLN A 19 9.626 9.093 -6.657 1.00 0.00 O ATOM 258 NE2 GLN A 19 10.979 10.115 -5.186 1.00 0.00 N ATOM 0 H GLN A 19 9.160 4.958 -3.598 1.00 0.00 H new ATOM 0 HA GLN A 19 8.414 7.567 -4.786 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.606 5.601 -5.457 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.898 6.576 -6.730 1.00 0.00 H new ATOM 0 HG2 GLN A 19 11.100 7.729 -4.191 1.00 0.00 H new ATOM 0 HG3 GLN A 19 11.990 7.526 -5.687 1.00 0.00 H new ATOM 0 HE21 GLN A 19 11.680 10.020 -4.451 1.00 0.00 H new ATOM 0 HE22 GLN A 19 10.666 11.042 -5.475 1.00 0.00 H new ATOM 267 N GLU A 20 7.152 6.451 -6.737 1.00 0.00 N ATOM 268 CA GLU A 20 6.138 5.843 -7.590 1.00 0.00 C ATOM 269 C GLU A 20 6.744 4.744 -8.457 1.00 0.00 C ATOM 270 O GLU A 20 7.752 4.954 -9.131 1.00 0.00 O ATOM 271 CB GLU A 20 5.483 6.904 -8.477 1.00 0.00 C ATOM 272 CG GLU A 20 4.698 7.948 -7.699 1.00 0.00 C ATOM 273 CD GLU A 20 4.582 9.264 -8.442 1.00 0.00 C ATOM 274 OE1 GLU A 20 4.697 9.256 -9.686 1.00 0.00 O ATOM 275 OE2 GLU A 20 4.376 10.303 -7.780 1.00 0.00 O ATOM 0 H GLU A 20 7.390 7.412 -6.983 1.00 0.00 H new ATOM 0 HA GLU A 20 5.379 5.398 -6.947 1.00 0.00 H new ATOM 0 HB2 GLU A 20 6.255 7.404 -9.062 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.815 6.412 -9.184 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.700 7.564 -7.489 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.182 8.119 -6.738 1.00 0.00 H new ATOM 282 N GLY A 21 6.122 3.569 -8.434 1.00 0.00 N ATOM 283 CA GLY A 21 6.614 2.453 -9.221 1.00 0.00 C ATOM 284 C GLY A 21 7.358 1.434 -8.380 1.00 0.00 C ATOM 285 O GLY A 21 7.600 0.313 -8.824 1.00 0.00 O ATOM 0 H GLY A 21 5.286 3.370 -7.884 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.776 1.966 -9.719 1.00 0.00 H new ATOM 0 HA3 GLY A 21 7.275 2.827 -10.003 1.00 0.00 H new ATOM 289 N GLU A 22 7.721 1.825 -7.163 1.00 0.00 N ATOM 290 CA GLU A 22 8.443 0.937 -6.259 1.00 0.00 C ATOM 291 C GLU A 22 7.475 0.085 -5.444 1.00 0.00 C ATOM 292 O GLU A 22 6.565 0.606 -4.799 1.00 0.00 O ATOM 293 CB GLU A 22 9.341 1.747 -5.322 1.00 0.00 C ATOM 294 CG GLU A 22 9.989 0.914 -4.229 1.00 0.00 C ATOM 295 CD GLU A 22 11.286 1.518 -3.726 1.00 0.00 C ATOM 296 OE1 GLU A 22 11.432 2.756 -3.805 1.00 0.00 O ATOM 297 OE2 GLU A 22 12.153 0.754 -3.254 1.00 0.00 O ATOM 0 H GLU A 22 7.527 2.750 -6.780 1.00 0.00 H new ATOM 0 HA GLU A 22 9.064 0.274 -6.862 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.121 2.231 -5.909 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.751 2.539 -4.862 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.294 0.811 -3.396 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.183 -0.089 -4.609 1.00 0.00 H new ATOM 304 N ARG A 23 7.678 -1.228 -5.478 1.00 0.00 N ATOM 305 CA ARG A 23 6.822 -2.152 -4.744 1.00 0.00 C ATOM 306 C ARG A 23 6.790 -1.801 -3.260 1.00 0.00 C ATOM 307 O ARG A 23 7.807 -1.427 -2.677 1.00 0.00 O ATOM 308 CB ARG A 23 7.312 -3.590 -4.929 1.00 0.00 C ATOM 309 CG ARG A 23 6.220 -4.633 -4.756 1.00 0.00 C ATOM 310 CD ARG A 23 6.531 -5.900 -5.537 1.00 0.00 C ATOM 311 NE ARG A 23 6.183 -5.771 -6.949 1.00 0.00 N ATOM 312 CZ ARG A 23 4.933 -5.745 -7.399 1.00 0.00 C ATOM 313 NH1 ARG A 23 3.918 -5.838 -6.551 1.00 0.00 N ATOM 314 NH2 ARG A 23 4.697 -5.626 -8.699 1.00 0.00 N ATOM 0 H ARG A 23 8.427 -1.676 -6.006 1.00 0.00 H new ATOM 0 HA ARG A 23 5.811 -2.066 -5.142 1.00 0.00 H new ATOM 0 HB2 ARG A 23 7.746 -3.692 -5.924 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.109 -3.788 -4.212 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.110 -4.874 -3.699 1.00 0.00 H new ATOM 0 HG3 ARG A 23 5.267 -4.223 -5.091 1.00 0.00 H new ATOM 0 HD2 ARG A 23 7.592 -6.132 -5.445 1.00 0.00 H new ATOM 0 HD3 ARG A 23 5.983 -6.737 -5.104 1.00 0.00 H new ATOM 0 HE ARG A 23 6.941 -5.697 -7.627 1.00 0.00 H new ATOM 0 HH11 ARG A 23 4.096 -5.930 -5.551 1.00 0.00 H new ATOM 0 HH12 ARG A 23 2.959 -5.818 -6.899 1.00 0.00 H new ATOM 0 HH21 ARG A 23 5.475 -5.554 -9.354 1.00 0.00 H new ATOM 0 HH22 ARG A 23 3.737 -5.606 -9.043 1.00 0.00 H new ATOM 328 N VAL A 24 5.613 -1.924 -2.654 1.00 0.00 N ATOM 329 CA VAL A 24 5.447 -1.621 -1.237 1.00 0.00 C ATOM 330 C VAL A 24 4.336 -2.463 -0.621 1.00 0.00 C ATOM 331 O VAL A 24 3.552 -3.093 -1.332 1.00 0.00 O ATOM 332 CB VAL A 24 5.129 -0.130 -1.016 1.00 0.00 C ATOM 333 CG1 VAL A 24 6.313 0.735 -1.424 1.00 0.00 C ATOM 334 CG2 VAL A 24 3.878 0.267 -1.785 1.00 0.00 C ATOM 0 H VAL A 24 4.760 -2.231 -3.122 1.00 0.00 H new ATOM 0 HA VAL A 24 6.392 -1.860 -0.749 1.00 0.00 H new ATOM 0 HB VAL A 24 4.942 0.030 0.046 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.070 1.785 -1.261 1.00 0.00 H new ATOM 0 HG12 VAL A 24 7.183 0.467 -0.825 1.00 0.00 H new ATOM 0 HG13 VAL A 24 6.535 0.574 -2.479 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.668 1.323 -1.618 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.035 0.092 -2.849 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.034 -0.330 -1.440 1.00 0.00 H new ATOM 344 N LEU A 25 4.273 -2.469 0.706 1.00 0.00 N ATOM 345 CA LEU A 25 3.256 -3.234 1.420 1.00 0.00 C ATOM 346 C LEU A 25 2.317 -2.309 2.186 1.00 0.00 C ATOM 347 O LEU A 25 2.757 -1.500 3.005 1.00 0.00 O ATOM 348 CB LEU A 25 3.916 -4.222 2.384 1.00 0.00 C ATOM 349 CG LEU A 25 4.802 -5.292 1.746 1.00 0.00 C ATOM 350 CD1 LEU A 25 5.618 -6.012 2.808 1.00 0.00 C ATOM 351 CD2 LEU A 25 3.958 -6.283 0.957 1.00 0.00 C ATOM 0 H LEU A 25 4.914 -1.953 1.309 1.00 0.00 H new ATOM 0 HA LEU A 25 2.671 -3.788 0.686 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.518 -3.657 3.096 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.132 -4.720 2.955 1.00 0.00 H new ATOM 0 HG LEU A 25 5.491 -4.803 1.057 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.243 -6.770 2.335 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.251 -5.294 3.329 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.946 -6.489 3.522 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.605 -7.037 0.510 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.245 -6.766 1.625 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.418 -5.756 0.170 1.00 0.00 H new ATOM 363 N CYS A 26 1.022 -2.434 1.917 1.00 0.00 N ATOM 364 CA CYS A 26 0.020 -1.609 2.583 1.00 0.00 C ATOM 365 C CYS A 26 -0.639 -2.372 3.728 1.00 0.00 C ATOM 366 O CYS A 26 -0.845 -3.583 3.643 1.00 0.00 O ATOM 367 CB CYS A 26 -1.042 -1.153 1.581 1.00 0.00 C ATOM 368 SG CYS A 26 -2.617 -0.685 2.336 1.00 0.00 S ATOM 0 H CYS A 26 0.641 -3.098 1.243 1.00 0.00 H new ATOM 0 HA CYS A 26 0.521 -0.733 2.995 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.654 -0.304 1.019 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -1.219 -1.956 0.865 1.00 0.00 H new ATOM 0 HG CYS A 26 -3.449 -0.313 1.409 1.00 0.00 H new ATOM 374 N PHE A 27 -0.966 -1.656 4.798 1.00 0.00 N ATOM 375 CA PHE A 27 -1.598 -2.266 5.962 1.00 0.00 C ATOM 376 C PHE A 27 -3.118 -2.246 5.827 1.00 0.00 C ATOM 377 O PHE A 27 -3.760 -1.220 6.055 1.00 0.00 O ATOM 378 CB PHE A 27 -1.179 -1.535 7.239 1.00 0.00 C ATOM 379 CG PHE A 27 0.057 -2.103 7.877 1.00 0.00 C ATOM 380 CD1 PHE A 27 0.017 -3.325 8.528 1.00 0.00 C ATOM 381 CD2 PHE A 27 1.258 -1.415 7.825 1.00 0.00 C ATOM 382 CE1 PHE A 27 1.152 -3.851 9.116 1.00 0.00 C ATOM 383 CE2 PHE A 27 2.396 -1.936 8.411 1.00 0.00 C ATOM 384 CZ PHE A 27 2.343 -3.155 9.058 1.00 0.00 C ATOM 0 H PHE A 27 -0.804 -0.653 4.883 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.269 -3.303 6.021 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.008 -0.484 7.007 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.999 -1.574 7.956 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -0.912 -3.873 8.577 1.00 0.00 H new ATOM 0 HD2 PHE A 27 1.306 -0.461 7.321 1.00 0.00 H new ATOM 0 HE1 PHE A 27 1.107 -4.805 9.620 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.327 -1.390 8.363 1.00 0.00 H new ATOM 0 HZ PHE A 27 3.231 -3.563 9.518 1.00 0.00 H new ATOM 394 N HIS A 28 -3.688 -3.388 5.455 1.00 0.00 N ATOM 395 CA HIS A 28 -5.133 -3.503 5.290 1.00 0.00 C ATOM 396 C HIS A 28 -5.767 -4.172 6.506 1.00 0.00 C ATOM 397 O HIS A 28 -6.747 -4.905 6.383 1.00 0.00 O ATOM 398 CB HIS A 28 -5.461 -4.300 4.026 1.00 0.00 C ATOM 399 CG HIS A 28 -6.877 -4.139 3.568 1.00 0.00 C ATOM 400 ND1 HIS A 28 -7.463 -2.909 3.350 1.00 0.00 N ATOM 401 CD2 HIS A 28 -7.827 -5.061 3.284 1.00 0.00 C ATOM 402 CE1 HIS A 28 -8.711 -3.082 2.954 1.00 0.00 C ATOM 403 NE2 HIS A 28 -8.957 -4.379 2.905 1.00 0.00 N ATOM 0 H HIS A 28 -3.172 -4.246 5.262 1.00 0.00 H new ATOM 0 HA HIS A 28 -5.544 -2.498 5.194 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -4.791 -3.987 3.225 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -5.265 -5.356 4.211 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -7.717 -6.134 3.344 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -9.411 -2.297 2.711 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -9.842 -4.805 2.630 1.00 0.00 H new ATOM 412 N GLY A 29 -5.200 -3.914 7.680 1.00 0.00 N ATOM 413 CA GLY A 29 -5.723 -4.498 8.901 1.00 0.00 C ATOM 414 C GLY A 29 -4.706 -5.373 9.607 1.00 0.00 C ATOM 415 O GLY A 29 -3.505 -5.102 9.593 1.00 0.00 O ATOM 0 H GLY A 29 -4.387 -3.311 7.807 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -6.042 -3.702 9.574 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.607 -5.091 8.667 1.00 0.00 H new ATOM 419 N PRO A 30 -5.187 -6.451 10.244 1.00 0.00 N ATOM 420 CA PRO A 30 -4.328 -7.390 10.971 1.00 0.00 C ATOM 421 C PRO A 30 -3.448 -8.214 10.038 1.00 0.00 C ATOM 422 O PRO A 30 -2.708 -9.093 10.480 1.00 0.00 O ATOM 423 CB PRO A 30 -5.327 -8.293 11.700 1.00 0.00 C ATOM 424 CG PRO A 30 -6.568 -8.225 10.879 1.00 0.00 C ATOM 425 CD PRO A 30 -6.608 -6.836 10.303 1.00 0.00 C ATOM 0 HA PRO A 30 -3.633 -6.876 11.635 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -4.956 -9.315 11.773 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -5.506 -7.945 12.717 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -6.554 -8.975 10.088 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -7.450 -8.420 11.488 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -7.069 -6.823 9.315 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.183 -6.156 10.932 1.00 0.00 H new ATOM 433 N LEU A 31 -3.533 -7.923 8.744 1.00 0.00 N ATOM 434 CA LEU A 31 -2.743 -8.637 7.747 1.00 0.00 C ATOM 435 C LEU A 31 -2.159 -7.671 6.721 1.00 0.00 C ATOM 436 O LEU A 31 -2.590 -6.522 6.619 1.00 0.00 O ATOM 437 CB LEU A 31 -3.603 -9.688 7.043 1.00 0.00 C ATOM 438 CG LEU A 31 -4.135 -10.820 7.923 1.00 0.00 C ATOM 439 CD1 LEU A 31 -5.463 -11.333 7.389 1.00 0.00 C ATOM 440 CD2 LEU A 31 -3.120 -11.950 8.010 1.00 0.00 C ATOM 0 H LEU A 31 -4.140 -7.198 8.361 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.920 -9.134 8.260 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.452 -9.184 6.582 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.016 -10.127 6.236 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.298 -10.428 8.927 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.826 -12.138 8.028 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.190 -10.521 7.381 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.327 -11.708 6.375 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.516 -12.747 8.640 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.924 -12.341 7.011 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.192 -11.573 8.441 1.00 0.00 H new ATOM 452 N LEU A 32 -1.178 -8.145 5.961 1.00 0.00 N ATOM 453 CA LEU A 32 -0.536 -7.324 4.940 1.00 0.00 C ATOM 454 C LEU A 32 -0.839 -7.857 3.543 1.00 0.00 C ATOM 455 O LEU A 32 -1.067 -9.053 3.359 1.00 0.00 O ATOM 456 CB LEU A 32 0.976 -7.284 5.166 1.00 0.00 C ATOM 457 CG LEU A 32 1.491 -6.157 6.061 1.00 0.00 C ATOM 458 CD1 LEU A 32 2.955 -6.377 6.408 1.00 0.00 C ATOM 459 CD2 LEU A 32 1.298 -4.808 5.384 1.00 0.00 C ATOM 0 H LEU A 32 -0.810 -9.093 6.032 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.936 -6.313 5.018 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.284 -8.235 5.600 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.466 -7.203 4.196 1.00 0.00 H new ATOM 0 HG LEU A 32 0.915 -6.162 6.987 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.304 -5.565 7.046 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.066 -7.325 6.935 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.546 -6.399 5.493 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.670 -4.017 6.036 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.847 -4.791 4.443 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.238 -4.648 5.188 1.00 0.00 H new ATOM 471 N TYR A 33 -0.838 -6.962 2.561 1.00 0.00 N ATOM 472 CA TYR A 33 -1.113 -7.342 1.181 1.00 0.00 C ATOM 473 C TYR A 33 -0.093 -6.720 0.231 1.00 0.00 C ATOM 474 O TYR A 33 0.499 -5.684 0.531 1.00 0.00 O ATOM 475 CB TYR A 33 -2.525 -6.911 0.782 1.00 0.00 C ATOM 476 CG TYR A 33 -3.606 -7.484 1.671 1.00 0.00 C ATOM 477 CD1 TYR A 33 -3.661 -7.168 3.023 1.00 0.00 C ATOM 478 CD2 TYR A 33 -4.573 -8.340 1.159 1.00 0.00 C ATOM 479 CE1 TYR A 33 -4.647 -7.689 3.839 1.00 0.00 C ATOM 480 CE2 TYR A 33 -5.563 -8.865 1.967 1.00 0.00 C ATOM 481 CZ TYR A 33 -5.595 -8.537 3.306 1.00 0.00 C ATOM 482 OH TYR A 33 -6.579 -9.058 4.115 1.00 0.00 O ATOM 0 H TYR A 33 -0.650 -5.969 2.695 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.037 -8.427 1.108 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.585 -5.823 0.807 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.712 -7.217 -0.247 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -2.920 -6.504 3.443 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -4.550 -8.600 0.111 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -4.675 -7.434 4.888 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -6.308 -9.528 1.552 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.167 -9.635 3.585 1.00 0.00 H new ATOM 492 N GLU A 34 0.107 -7.362 -0.916 1.00 0.00 N ATOM 493 CA GLU A 34 1.055 -6.873 -1.909 1.00 0.00 C ATOM 494 C GLU A 34 0.479 -5.683 -2.671 1.00 0.00 C ATOM 495 O GLU A 34 -0.675 -5.705 -3.098 1.00 0.00 O ATOM 496 CB GLU A 34 1.423 -7.989 -2.889 1.00 0.00 C ATOM 497 CG GLU A 34 2.496 -7.592 -3.889 1.00 0.00 C ATOM 498 CD GLU A 34 2.662 -8.610 -5.001 1.00 0.00 C ATOM 499 OE1 GLU A 34 1.646 -9.202 -5.421 1.00 0.00 O ATOM 500 OE2 GLU A 34 3.809 -8.814 -5.450 1.00 0.00 O ATOM 0 H GLU A 34 -0.375 -8.221 -1.180 1.00 0.00 H new ATOM 0 HA GLU A 34 1.954 -6.548 -1.386 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.766 -8.857 -2.326 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.528 -8.295 -3.431 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.244 -6.624 -4.322 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.446 -7.470 -3.368 1.00 0.00 H new ATOM 507 N ALA A 35 1.292 -4.644 -2.838 1.00 0.00 N ATOM 508 CA ALA A 35 0.864 -3.446 -3.549 1.00 0.00 C ATOM 509 C ALA A 35 2.063 -2.659 -4.068 1.00 0.00 C ATOM 510 O ALA A 35 3.213 -3.042 -3.849 1.00 0.00 O ATOM 511 CB ALA A 35 0.009 -2.572 -2.644 1.00 0.00 C ATOM 0 H ALA A 35 2.250 -4.609 -2.490 1.00 0.00 H new ATOM 0 HA ALA A 35 0.266 -3.756 -4.406 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.303 -1.681 -3.188 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.871 -3.130 -2.325 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.588 -2.278 -1.769 1.00 0.00 H new ATOM 517 N LYS A 36 1.788 -1.557 -4.758 1.00 0.00 N ATOM 518 CA LYS A 36 2.843 -0.715 -5.308 1.00 0.00 C ATOM 519 C LYS A 36 2.464 0.760 -5.220 1.00 0.00 C ATOM 520 O LYS A 36 1.290 1.116 -5.330 1.00 0.00 O ATOM 521 CB LYS A 36 3.119 -1.095 -6.765 1.00 0.00 C ATOM 522 CG LYS A 36 4.199 -0.251 -7.419 1.00 0.00 C ATOM 523 CD LYS A 36 3.615 0.982 -8.088 1.00 0.00 C ATOM 524 CE LYS A 36 3.213 0.699 -9.527 1.00 0.00 C ATOM 525 NZ LYS A 36 4.317 0.060 -10.296 1.00 0.00 N ATOM 0 H LYS A 36 0.842 -1.226 -4.949 1.00 0.00 H new ATOM 0 HA LYS A 36 3.746 -0.876 -4.719 1.00 0.00 H new ATOM 0 HB2 LYS A 36 3.413 -2.144 -6.809 1.00 0.00 H new ATOM 0 HB3 LYS A 36 2.197 -0.998 -7.338 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.929 0.053 -6.669 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.732 -0.849 -8.158 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.745 1.324 -7.527 1.00 0.00 H new ATOM 0 HD3 LYS A 36 4.346 1.790 -8.066 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.338 0.048 -9.539 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.924 1.631 -10.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.436 0.550 -11.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.201 0.122 -9.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.087 -0.939 -10.469 1.00 0.00 H new ATOM 539 N CYS A 37 3.464 1.612 -5.021 1.00 0.00 N ATOM 540 CA CYS A 37 3.235 3.049 -4.919 1.00 0.00 C ATOM 541 C CYS A 37 2.817 3.630 -6.265 1.00 0.00 C ATOM 542 O CYS A 37 3.653 3.876 -7.134 1.00 0.00 O ATOM 543 CB CYS A 37 4.496 3.752 -4.415 1.00 0.00 C ATOM 544 SG CYS A 37 4.216 5.440 -3.830 1.00 0.00 S ATOM 0 H CYS A 37 4.441 1.333 -4.927 1.00 0.00 H new ATOM 0 HA CYS A 37 2.427 3.214 -4.207 1.00 0.00 H new ATOM 0 HB2 CYS A 37 4.927 3.165 -3.604 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.232 3.775 -5.218 1.00 0.00 H new ATOM 0 HG CYS A 37 5.340 5.950 -3.423 1.00 0.00 H new ATOM 550 N VAL A 38 1.516 3.846 -6.432 1.00 0.00 N ATOM 551 CA VAL A 38 0.986 4.398 -7.673 1.00 0.00 C ATOM 552 C VAL A 38 1.190 5.907 -7.735 1.00 0.00 C ATOM 553 O VAL A 38 1.577 6.451 -8.770 1.00 0.00 O ATOM 554 CB VAL A 38 -0.515 4.088 -7.830 1.00 0.00 C ATOM 555 CG1 VAL A 38 -0.973 4.371 -9.252 1.00 0.00 C ATOM 556 CG2 VAL A 38 -0.803 2.644 -7.446 1.00 0.00 C ATOM 0 H VAL A 38 0.810 3.647 -5.723 1.00 0.00 H new ATOM 0 HA VAL A 38 1.535 3.926 -8.488 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.075 4.738 -7.158 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.036 4.146 -9.344 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.803 5.422 -9.487 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.409 3.748 -9.947 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.868 2.442 -7.563 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.234 1.975 -8.092 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.514 2.479 -6.408 1.00 0.00 H new ATOM 566 N LYS A 39 0.929 6.580 -6.619 1.00 0.00 N ATOM 567 CA LYS A 39 1.086 8.028 -6.544 1.00 0.00 C ATOM 568 C LYS A 39 1.491 8.459 -5.138 1.00 0.00 C ATOM 569 O LYS A 39 1.396 7.682 -4.188 1.00 0.00 O ATOM 570 CB LYS A 39 -0.216 8.724 -6.947 1.00 0.00 C ATOM 571 CG LYS A 39 -0.655 8.417 -8.368 1.00 0.00 C ATOM 572 CD LYS A 39 -1.788 9.328 -8.810 1.00 0.00 C ATOM 573 CE LYS A 39 -2.125 9.125 -10.280 1.00 0.00 C ATOM 574 NZ LYS A 39 -1.098 9.730 -11.173 1.00 0.00 N ATOM 0 H LYS A 39 0.608 6.146 -5.754 1.00 0.00 H new ATOM 0 HA LYS A 39 1.876 8.319 -7.236 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.006 8.424 -6.259 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -0.091 9.801 -6.839 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.192 8.533 -9.045 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.976 7.377 -8.434 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.672 9.132 -8.203 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.508 10.368 -8.640 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.206 8.059 -10.490 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.098 9.567 -10.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -1.413 9.660 -12.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.965 10.730 -10.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.197 9.222 -11.060 1.00 0.00 H new ATOM 588 N VAL A 40 1.942 9.703 -5.012 1.00 0.00 N ATOM 589 CA VAL A 40 2.360 10.238 -3.722 1.00 0.00 C ATOM 590 C VAL A 40 1.843 11.658 -3.523 1.00 0.00 C ATOM 591 O VAL A 40 2.338 12.602 -4.138 1.00 0.00 O ATOM 592 CB VAL A 40 3.894 10.237 -3.583 1.00 0.00 C ATOM 593 CG1 VAL A 40 4.311 10.874 -2.267 1.00 0.00 C ATOM 594 CG2 VAL A 40 4.438 8.821 -3.697 1.00 0.00 C ATOM 0 H VAL A 40 2.027 10.359 -5.788 1.00 0.00 H new ATOM 0 HA VAL A 40 1.934 9.589 -2.957 1.00 0.00 H new ATOM 0 HB VAL A 40 4.316 10.830 -4.395 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.398 10.864 -2.186 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.954 11.903 -2.232 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.881 10.312 -1.438 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.523 8.839 -3.597 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.011 8.202 -2.908 1.00 0.00 H new ATOM 0 HG23 VAL A 40 4.170 8.406 -4.669 1.00 0.00 H new ATOM 604 N ALA A 41 0.844 11.803 -2.659 1.00 0.00 N ATOM 605 CA ALA A 41 0.261 13.109 -2.376 1.00 0.00 C ATOM 606 C ALA A 41 0.571 13.551 -0.950 1.00 0.00 C ATOM 607 O ALA A 41 0.886 12.729 -0.090 1.00 0.00 O ATOM 608 CB ALA A 41 -1.243 13.076 -2.605 1.00 0.00 C ATOM 0 H ALA A 41 0.421 11.032 -2.142 1.00 0.00 H new ATOM 0 HA ALA A 41 0.706 13.834 -3.058 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.665 14.058 -2.390 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.447 12.812 -3.643 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.695 12.334 -1.947 1.00 0.00 H new ATOM 614 N ILE A 42 0.480 14.855 -0.707 1.00 0.00 N ATOM 615 CA ILE A 42 0.751 15.405 0.615 1.00 0.00 C ATOM 616 C ILE A 42 -0.311 16.424 1.014 1.00 0.00 C ATOM 617 O ILE A 42 -0.468 17.460 0.368 1.00 0.00 O ATOM 618 CB ILE A 42 2.136 16.076 0.672 1.00 0.00 C ATOM 619 CG1 ILE A 42 3.237 15.047 0.404 1.00 0.00 C ATOM 620 CG2 ILE A 42 2.346 16.744 2.023 1.00 0.00 C ATOM 621 CD1 ILE A 42 4.580 15.668 0.088 1.00 0.00 C ATOM 0 H ILE A 42 0.221 15.549 -1.408 1.00 0.00 H new ATOM 0 HA ILE A 42 0.732 14.570 1.315 1.00 0.00 H new ATOM 0 HB ILE A 42 2.184 16.842 -0.102 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.340 14.402 1.276 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.935 14.412 -0.428 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.329 17.214 2.048 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.578 17.502 2.178 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.281 15.996 2.813 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.312 14.880 -0.091 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.492 16.291 -0.802 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.904 16.281 0.929 1.00 0.00 H new ATOM 633 N LYS A 43 -1.038 16.123 2.085 1.00 0.00 N ATOM 634 CA LYS A 43 -2.085 17.012 2.574 1.00 0.00 C ATOM 635 C LYS A 43 -2.301 16.825 4.073 1.00 0.00 C ATOM 636 O LYS A 43 -1.827 15.853 4.661 1.00 0.00 O ATOM 637 CB LYS A 43 -3.393 16.756 1.823 1.00 0.00 C ATOM 638 CG LYS A 43 -3.428 17.370 0.435 1.00 0.00 C ATOM 639 CD LYS A 43 -4.828 17.339 -0.154 1.00 0.00 C ATOM 640 CE LYS A 43 -4.795 17.397 -1.674 1.00 0.00 C ATOM 641 NZ LYS A 43 -4.332 16.113 -2.268 1.00 0.00 N ATOM 0 H LYS A 43 -0.921 15.269 2.631 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.767 18.039 2.396 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.549 15.681 1.739 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.222 17.154 2.408 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.075 18.400 0.483 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.745 16.830 -0.220 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.338 16.430 0.165 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.404 18.180 0.231 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.790 17.633 -2.050 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.134 18.203 -1.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.590 16.083 -3.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.299 16.039 -2.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.783 15.318 -1.772 1.00 0.00 H new ATOM 655 N ASP A 44 -3.020 17.760 4.683 1.00 0.00 N ATOM 656 CA ASP A 44 -3.302 17.697 6.113 1.00 0.00 C ATOM 657 C ASP A 44 -2.020 17.473 6.909 1.00 0.00 C ATOM 658 O ASP A 44 -2.027 16.798 7.939 1.00 0.00 O ATOM 659 CB ASP A 44 -4.303 16.578 6.408 1.00 0.00 C ATOM 660 CG ASP A 44 -5.152 16.869 7.629 1.00 0.00 C ATOM 661 OD1 ASP A 44 -4.576 17.059 8.722 1.00 0.00 O ATOM 662 OD2 ASP A 44 -6.393 16.908 7.493 1.00 0.00 O ATOM 0 H ASP A 44 -3.419 18.571 4.210 1.00 0.00 H new ATOM 0 HA ASP A 44 -3.735 18.650 6.416 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -4.951 16.437 5.543 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -3.764 15.643 6.558 1.00 0.00 H new ATOM 667 N LYS A 45 -0.922 18.042 6.425 1.00 0.00 N ATOM 668 CA LYS A 45 0.368 17.906 7.091 1.00 0.00 C ATOM 669 C LYS A 45 0.795 16.443 7.156 1.00 0.00 C ATOM 670 O LYS A 45 1.495 16.032 8.081 1.00 0.00 O ATOM 671 CB LYS A 45 0.301 18.491 8.504 1.00 0.00 C ATOM 672 CG LYS A 45 0.412 20.005 8.540 1.00 0.00 C ATOM 673 CD LYS A 45 -0.908 20.671 8.191 1.00 0.00 C ATOM 674 CE LYS A 45 -0.788 22.187 8.200 1.00 0.00 C ATOM 675 NZ LYS A 45 -2.096 22.845 8.471 1.00 0.00 N ATOM 0 H LYS A 45 -0.899 18.602 5.573 1.00 0.00 H new ATOM 0 HA LYS A 45 1.108 18.458 6.511 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.639 18.193 8.968 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.103 18.062 9.105 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.730 20.324 9.533 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.181 20.331 7.840 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -1.236 20.337 7.207 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -1.672 20.361 8.904 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.065 22.490 8.958 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.403 22.527 7.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.972 23.878 8.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.779 22.577 7.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.452 22.541 9.400 1.00 0.00 H new ATOM 689 N GLN A 46 0.370 15.662 6.167 1.00 0.00 N ATOM 690 CA GLN A 46 0.709 14.246 6.113 1.00 0.00 C ATOM 691 C GLN A 46 1.010 13.812 4.682 1.00 0.00 C ATOM 692 O GLN A 46 0.478 14.378 3.726 1.00 0.00 O ATOM 693 CB GLN A 46 -0.433 13.403 6.684 1.00 0.00 C ATOM 694 CG GLN A 46 -1.639 13.310 5.763 1.00 0.00 C ATOM 695 CD GLN A 46 -2.400 12.009 5.929 1.00 0.00 C ATOM 696 OE1 GLN A 46 -1.806 10.952 6.144 1.00 0.00 O ATOM 697 NE2 GLN A 46 -3.722 12.080 5.829 1.00 0.00 N ATOM 0 H GLN A 46 -0.209 15.987 5.393 1.00 0.00 H new ATOM 0 HA GLN A 46 1.603 14.090 6.717 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -0.064 12.398 6.889 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -0.746 13.828 7.637 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -2.309 14.146 5.962 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -1.310 13.405 4.728 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -4.172 12.977 5.650 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -4.287 11.237 5.931 1.00 0.00 H new ATOM 706 N VAL A 47 1.867 12.806 4.541 1.00 0.00 N ATOM 707 CA VAL A 47 2.239 12.296 3.227 1.00 0.00 C ATOM 708 C VAL A 47 1.574 10.952 2.950 1.00 0.00 C ATOM 709 O VAL A 47 1.798 9.977 3.667 1.00 0.00 O ATOM 710 CB VAL A 47 3.765 12.137 3.097 1.00 0.00 C ATOM 711 CG1 VAL A 47 4.157 11.909 1.645 1.00 0.00 C ATOM 712 CG2 VAL A 47 4.477 13.356 3.665 1.00 0.00 C ATOM 0 H VAL A 47 2.317 12.328 5.321 1.00 0.00 H new ATOM 0 HA VAL A 47 1.894 13.027 2.496 1.00 0.00 H new ATOM 0 HB VAL A 47 4.072 11.264 3.672 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.239 11.799 1.573 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.675 11.004 1.276 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.838 12.761 1.044 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.555 13.227 3.565 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.166 14.246 3.119 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.221 13.469 4.719 1.00 0.00 H new ATOM 722 N LYS A 48 0.754 10.908 1.906 1.00 0.00 N ATOM 723 CA LYS A 48 0.056 9.684 1.532 1.00 0.00 C ATOM 724 C LYS A 48 0.634 9.099 0.247 1.00 0.00 C ATOM 725 O LYS A 48 1.532 9.681 -0.362 1.00 0.00 O ATOM 726 CB LYS A 48 -1.439 9.959 1.352 1.00 0.00 C ATOM 727 CG LYS A 48 -2.162 10.263 2.653 1.00 0.00 C ATOM 728 CD LYS A 48 -3.612 9.812 2.603 1.00 0.00 C ATOM 729 CE LYS A 48 -4.522 10.916 2.087 1.00 0.00 C ATOM 730 NZ LYS A 48 -4.725 11.987 3.102 1.00 0.00 N ATOM 0 H LYS A 48 0.556 11.707 1.303 1.00 0.00 H new ATOM 0 HA LYS A 48 0.192 8.959 2.334 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.566 10.800 0.670 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.905 9.094 0.881 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.653 9.765 3.478 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.120 11.334 2.852 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.700 8.936 1.960 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.934 9.509 3.599 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.092 11.349 1.184 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.487 10.491 1.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.309 12.745 2.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.205 11.590 3.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.803 12.375 3.386 1.00 0.00 H new ATOM 744 N TYR A 49 0.113 7.947 -0.160 1.00 0.00 N ATOM 745 CA TYR A 49 0.578 7.283 -1.372 1.00 0.00 C ATOM 746 C TYR A 49 -0.519 6.406 -1.968 1.00 0.00 C ATOM 747 O TYR A 49 -1.046 5.514 -1.304 1.00 0.00 O ATOM 748 CB TYR A 49 1.816 6.437 -1.072 1.00 0.00 C ATOM 749 CG TYR A 49 2.823 7.131 -0.183 1.00 0.00 C ATOM 750 CD1 TYR A 49 2.531 7.407 1.148 1.00 0.00 C ATOM 751 CD2 TYR A 49 4.067 7.511 -0.673 1.00 0.00 C ATOM 752 CE1 TYR A 49 3.448 8.041 1.963 1.00 0.00 C ATOM 753 CE2 TYR A 49 4.990 8.144 0.136 1.00 0.00 C ATOM 754 CZ TYR A 49 4.676 8.408 1.453 1.00 0.00 C ATOM 755 OH TYR A 49 5.592 9.039 2.263 1.00 0.00 O ATOM 0 H TYR A 49 -0.632 7.453 0.332 1.00 0.00 H new ATOM 0 HA TYR A 49 0.839 8.052 -2.100 1.00 0.00 H new ATOM 0 HB2 TYR A 49 1.504 5.507 -0.596 1.00 0.00 H new ATOM 0 HB3 TYR A 49 2.298 6.168 -2.012 1.00 0.00 H new ATOM 0 HD1 TYR A 49 1.571 7.121 1.551 1.00 0.00 H new ATOM 0 HD2 TYR A 49 4.316 7.308 -1.704 1.00 0.00 H new ATOM 0 HE1 TYR A 49 3.205 8.248 2.995 1.00 0.00 H new ATOM 0 HE2 TYR A 49 5.953 8.431 -0.260 1.00 0.00 H new ATOM 0 HH TYR A 49 6.359 9.328 1.726 1.00 0.00 H new ATOM 765 N PHE A 50 -0.857 6.666 -3.227 1.00 0.00 N ATOM 766 CA PHE A 50 -1.891 5.902 -3.914 1.00 0.00 C ATOM 767 C PHE A 50 -1.443 4.461 -4.140 1.00 0.00 C ATOM 768 O PHE A 50 -0.694 4.172 -5.074 1.00 0.00 O ATOM 769 CB PHE A 50 -2.233 6.557 -5.254 1.00 0.00 C ATOM 770 CG PHE A 50 -3.407 5.927 -5.947 1.00 0.00 C ATOM 771 CD1 PHE A 50 -4.534 5.556 -5.231 1.00 0.00 C ATOM 772 CD2 PHE A 50 -3.384 5.705 -7.315 1.00 0.00 C ATOM 773 CE1 PHE A 50 -5.615 4.975 -5.866 1.00 0.00 C ATOM 774 CE2 PHE A 50 -4.462 5.125 -7.955 1.00 0.00 C ATOM 775 CZ PHE A 50 -5.580 4.760 -7.230 1.00 0.00 C ATOM 0 H PHE A 50 -0.430 7.400 -3.792 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.780 5.893 -3.284 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.443 7.614 -5.090 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.363 6.503 -5.908 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -4.568 5.723 -4.165 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.513 5.989 -7.887 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -6.487 4.689 -5.296 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -4.431 4.957 -9.021 1.00 0.00 H new ATOM 0 HZ PHE A 50 -6.425 4.308 -7.729 1.00 0.00 H new ATOM 785 N ILE A 51 -1.905 3.562 -3.277 1.00 0.00 N ATOM 786 CA ILE A 51 -1.552 2.152 -3.382 1.00 0.00 C ATOM 787 C ILE A 51 -2.460 1.431 -4.373 1.00 0.00 C ATOM 788 O ILE A 51 -3.600 1.839 -4.598 1.00 0.00 O ATOM 789 CB ILE A 51 -1.641 1.446 -2.016 1.00 0.00 C ATOM 790 CG1 ILE A 51 -0.754 2.158 -0.992 1.00 0.00 C ATOM 791 CG2 ILE A 51 -1.240 -0.015 -2.147 1.00 0.00 C ATOM 792 CD1 ILE A 51 0.724 2.062 -1.303 1.00 0.00 C ATOM 0 H ILE A 51 -2.524 3.785 -2.498 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.522 2.110 -3.738 1.00 0.00 H new ATOM 0 HB ILE A 51 -2.673 1.489 -1.668 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -1.040 3.209 -0.944 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.938 1.732 -0.006 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.308 -0.500 -1.173 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.908 -0.514 -2.848 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.215 -0.080 -2.513 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.292 2.589 -0.536 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.025 1.014 -1.322 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.921 2.514 -2.275 1.00 0.00 H new ATOM 804 N HIS A 52 -1.947 0.355 -4.962 1.00 0.00 N ATOM 805 CA HIS A 52 -2.711 -0.425 -5.928 1.00 0.00 C ATOM 806 C HIS A 52 -2.653 -1.913 -5.593 1.00 0.00 C ATOM 807 O HIS A 52 -1.691 -2.599 -5.938 1.00 0.00 O ATOM 808 CB HIS A 52 -2.180 -0.188 -7.342 1.00 0.00 C ATOM 809 CG HIS A 52 -2.752 -1.125 -8.362 1.00 0.00 C ATOM 810 ND1 HIS A 52 -4.106 -1.272 -8.573 1.00 0.00 N ATOM 811 CD2 HIS A 52 -2.143 -1.963 -9.233 1.00 0.00 C ATOM 812 CE1 HIS A 52 -4.307 -2.162 -9.528 1.00 0.00 C ATOM 813 NE2 HIS A 52 -3.131 -2.597 -9.946 1.00 0.00 N ATOM 0 H HIS A 52 -1.005 0.004 -4.787 1.00 0.00 H new ATOM 0 HA HIS A 52 -3.750 -0.100 -5.879 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -2.402 0.837 -7.638 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -1.095 -0.290 -7.335 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -1.079 -2.106 -9.346 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -5.268 -2.480 -9.903 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -2.982 -3.291 -10.679 1.00 0.00 H new ATOM 822 N TYR A 53 -3.687 -2.403 -4.919 1.00 0.00 N ATOM 823 CA TYR A 53 -3.752 -3.808 -4.535 1.00 0.00 C ATOM 824 C TYR A 53 -3.661 -4.713 -5.760 1.00 0.00 C ATOM 825 O TYR A 53 -4.568 -4.745 -6.591 1.00 0.00 O ATOM 826 CB TYR A 53 -5.048 -4.091 -3.773 1.00 0.00 C ATOM 827 CG TYR A 53 -5.014 -3.637 -2.331 1.00 0.00 C ATOM 828 CD1 TYR A 53 -4.813 -2.302 -2.007 1.00 0.00 C ATOM 829 CD2 TYR A 53 -5.185 -4.545 -1.293 1.00 0.00 C ATOM 830 CE1 TYR A 53 -4.781 -1.883 -0.691 1.00 0.00 C ATOM 831 CE2 TYR A 53 -5.155 -4.135 0.026 1.00 0.00 C ATOM 832 CZ TYR A 53 -4.953 -2.803 0.322 1.00 0.00 C ATOM 833 OH TYR A 53 -4.922 -2.390 1.634 1.00 0.00 O ATOM 0 H TYR A 53 -4.492 -1.848 -4.627 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.903 -4.020 -3.886 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -5.875 -3.595 -4.282 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -5.251 -5.161 -3.803 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.679 -1.578 -2.798 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -5.344 -5.589 -1.521 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -4.622 -0.841 -0.457 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -5.289 -4.854 0.821 1.00 0.00 H new ATOM 0 HH TYR A 53 -4.046 -1.999 1.833 1.00 0.00 H new ATOM 843 N SER A 54 -2.558 -5.448 -5.864 1.00 0.00 N ATOM 844 CA SER A 54 -2.345 -6.352 -6.988 1.00 0.00 C ATOM 845 C SER A 54 -3.663 -6.969 -7.446 1.00 0.00 C ATOM 846 O SER A 54 -3.950 -7.031 -8.641 1.00 0.00 O ATOM 847 CB SER A 54 -1.359 -7.456 -6.603 1.00 0.00 C ATOM 848 OG SER A 54 -1.132 -8.339 -7.688 1.00 0.00 O ATOM 0 H SER A 54 -1.798 -5.435 -5.183 1.00 0.00 H new ATOM 0 HA SER A 54 -1.928 -5.774 -7.813 1.00 0.00 H new ATOM 0 HB2 SER A 54 -0.415 -7.011 -6.289 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.748 -8.014 -5.751 1.00 0.00 H new ATOM 0 HG SER A 54 -0.497 -9.034 -7.416 1.00 0.00 H new ATOM 971 N GLU A 62 -6.706 2.440 -2.648 1.00 0.00 N ATOM 972 CA GLU A 62 -6.975 3.455 -1.636 1.00 0.00 C ATOM 973 C GLU A 62 -5.705 4.225 -1.285 1.00 0.00 C ATOM 974 O GLU A 62 -4.595 3.769 -1.558 1.00 0.00 O ATOM 975 CB GLU A 62 -7.557 2.809 -0.376 1.00 0.00 C ATOM 976 CG GLU A 62 -6.665 1.735 0.224 1.00 0.00 C ATOM 977 CD GLU A 62 -7.159 1.254 1.575 1.00 0.00 C ATOM 978 OE1 GLU A 62 -8.290 0.728 1.639 1.00 0.00 O ATOM 979 OE2 GLU A 62 -6.416 1.404 2.567 1.00 0.00 O ATOM 0 HA GLU A 62 -7.702 4.156 -2.046 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.733 3.583 0.371 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.526 2.372 -0.616 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.610 0.889 -0.461 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.653 2.126 0.329 1.00 0.00 H new ATOM 986 N TRP A 63 -5.878 5.395 -0.681 1.00 0.00 N ATOM 987 CA TRP A 63 -4.746 6.230 -0.294 1.00 0.00 C ATOM 988 C TRP A 63 -4.282 5.896 1.120 1.00 0.00 C ATOM 989 O TRP A 63 -5.083 5.863 2.055 1.00 0.00 O ATOM 990 CB TRP A 63 -5.123 7.709 -0.384 1.00 0.00 C ATOM 991 CG TRP A 63 -5.085 8.248 -1.782 1.00 0.00 C ATOM 992 CD1 TRP A 63 -6.136 8.361 -2.646 1.00 0.00 C ATOM 993 CD2 TRP A 63 -3.936 8.743 -2.478 1.00 0.00 C ATOM 994 NE1 TRP A 63 -5.711 8.898 -3.837 1.00 0.00 N ATOM 995 CE2 TRP A 63 -4.365 9.142 -3.760 1.00 0.00 C ATOM 996 CE3 TRP A 63 -2.587 8.891 -2.144 1.00 0.00 C ATOM 997 CZ2 TRP A 63 -3.492 9.676 -4.704 1.00 0.00 C ATOM 998 CZ3 TRP A 63 -1.722 9.421 -3.082 1.00 0.00 C ATOM 999 CH2 TRP A 63 -2.177 9.810 -4.349 1.00 0.00 C ATOM 0 H TRP A 63 -6.790 5.787 -0.449 1.00 0.00 H new ATOM 0 HA TRP A 63 -3.925 6.029 -0.983 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -6.124 7.847 0.024 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -4.442 8.289 0.240 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -7.153 8.071 -2.426 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -6.302 9.085 -4.647 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -2.227 8.596 -1.169 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -3.840 9.974 -5.682 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -0.677 9.537 -2.834 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -1.476 10.224 -5.059 1.00 0.00 H new ATOM 1010 N VAL A 64 -2.985 5.649 1.269 1.00 0.00 N ATOM 1011 CA VAL A 64 -2.414 5.319 2.570 1.00 0.00 C ATOM 1012 C VAL A 64 -1.271 6.263 2.924 1.00 0.00 C ATOM 1013 O VAL A 64 -0.571 6.784 2.055 1.00 0.00 O ATOM 1014 CB VAL A 64 -1.898 3.869 2.605 1.00 0.00 C ATOM 1015 CG1 VAL A 64 -2.894 2.931 1.941 1.00 0.00 C ATOM 1016 CG2 VAL A 64 -0.535 3.773 1.934 1.00 0.00 C ATOM 0 H VAL A 64 -2.309 5.671 0.505 1.00 0.00 H new ATOM 0 HA VAL A 64 -3.213 5.430 3.303 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.788 3.566 3.646 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -2.512 1.911 1.976 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.847 2.980 2.468 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -3.038 3.229 0.903 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.185 2.741 1.968 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.617 4.095 0.896 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.174 4.414 2.458 1.00 0.00 H new ATOM 1026 N PRO A 65 -1.074 6.490 4.231 1.00 0.00 N ATOM 1027 CA PRO A 65 -0.014 7.371 4.731 1.00 0.00 C ATOM 1028 C PRO A 65 1.377 6.782 4.523 1.00 0.00 C ATOM 1029 O PRO A 65 1.537 5.778 3.831 1.00 0.00 O ATOM 1030 CB PRO A 65 -0.327 7.490 6.225 1.00 0.00 C ATOM 1031 CG PRO A 65 -1.079 6.247 6.554 1.00 0.00 C ATOM 1032 CD PRO A 65 -1.869 5.902 5.322 1.00 0.00 C ATOM 0 HA PRO A 65 0.002 8.327 4.207 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.586 7.569 6.816 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.921 8.380 6.436 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.398 5.438 6.820 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.737 6.404 7.408 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -1.978 4.824 5.204 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -2.874 6.322 5.358 1.00 0.00 H new ATOM 1040 N GLU A 66 2.378 7.413 5.128 1.00 0.00 N ATOM 1041 CA GLU A 66 3.756 6.950 5.007 1.00 0.00 C ATOM 1042 C GLU A 66 4.074 5.907 6.075 1.00 0.00 C ATOM 1043 O GLU A 66 5.139 5.290 6.057 1.00 0.00 O ATOM 1044 CB GLU A 66 4.725 8.128 5.124 1.00 0.00 C ATOM 1045 CG GLU A 66 6.166 7.764 4.804 1.00 0.00 C ATOM 1046 CD GLU A 66 7.107 8.947 4.928 1.00 0.00 C ATOM 1047 OE1 GLU A 66 7.042 9.849 4.067 1.00 0.00 O ATOM 1048 OE2 GLU A 66 7.908 8.970 5.885 1.00 0.00 O ATOM 0 H GLU A 66 2.261 8.245 5.706 1.00 0.00 H new ATOM 0 HA GLU A 66 3.873 6.489 4.026 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.401 8.922 4.451 1.00 0.00 H new ATOM 0 HB3 GLU A 66 4.676 8.529 6.137 1.00 0.00 H new ATOM 0 HG2 GLU A 66 6.494 6.971 5.476 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.220 7.366 3.791 1.00 0.00 H new ATOM 1055 N SER A 67 3.143 5.717 7.004 1.00 0.00 N ATOM 1056 CA SER A 67 3.325 4.752 8.083 1.00 0.00 C ATOM 1057 C SER A 67 2.664 3.421 7.739 1.00 0.00 C ATOM 1058 O SER A 67 2.973 2.390 8.335 1.00 0.00 O ATOM 1059 CB SER A 67 2.747 5.301 9.389 1.00 0.00 C ATOM 1060 OG SER A 67 2.782 4.321 10.413 1.00 0.00 O ATOM 0 H SER A 67 2.255 6.218 7.032 1.00 0.00 H new ATOM 0 HA SER A 67 4.394 4.583 8.210 1.00 0.00 H new ATOM 0 HB2 SER A 67 3.314 6.178 9.701 1.00 0.00 H new ATOM 0 HB3 SER A 67 1.719 5.626 9.227 1.00 0.00 H new ATOM 0 HG SER A 67 2.409 4.696 11.238 1.00 0.00 H new ATOM 1066 N ARG A 68 1.751 3.454 6.773 1.00 0.00 N ATOM 1067 CA ARG A 68 1.044 2.251 6.350 1.00 0.00 C ATOM 1068 C ARG A 68 1.706 1.635 5.121 1.00 0.00 C ATOM 1069 O ARG A 68 1.114 0.801 4.436 1.00 0.00 O ATOM 1070 CB ARG A 68 -0.420 2.575 6.046 1.00 0.00 C ATOM 1071 CG ARG A 68 -1.303 2.620 7.282 1.00 0.00 C ATOM 1072 CD ARG A 68 -2.766 2.403 6.929 1.00 0.00 C ATOM 1073 NE ARG A 68 -3.658 2.824 8.006 1.00 0.00 N ATOM 1074 CZ ARG A 68 -4.966 2.998 7.852 1.00 0.00 C ATOM 1075 NH1 ARG A 68 -5.531 2.788 6.672 1.00 0.00 N ATOM 1076 NH2 ARG A 68 -5.711 3.383 8.881 1.00 0.00 N ATOM 0 H ARG A 68 1.484 4.300 6.269 1.00 0.00 H new ATOM 0 HA ARG A 68 1.088 1.528 7.165 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.472 3.538 5.537 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -0.813 1.828 5.356 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.981 1.855 7.989 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -1.186 3.583 7.779 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.006 2.958 6.022 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -2.934 1.348 6.711 1.00 0.00 H new ATOM 0 HE ARG A 68 -3.254 2.994 8.927 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.961 2.492 5.879 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.535 2.922 6.556 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -5.279 3.545 9.791 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -6.715 3.516 8.762 1.00 0.00 H new ATOM 1090 N VAL A 69 2.938 2.053 4.847 1.00 0.00 N ATOM 1091 CA VAL A 69 3.681 1.542 3.701 1.00 0.00 C ATOM 1092 C VAL A 69 5.070 1.068 4.114 1.00 0.00 C ATOM 1093 O VAL A 69 5.737 1.702 4.933 1.00 0.00 O ATOM 1094 CB VAL A 69 3.821 2.611 2.602 1.00 0.00 C ATOM 1095 CG1 VAL A 69 4.367 1.994 1.323 1.00 0.00 C ATOM 1096 CG2 VAL A 69 2.485 3.292 2.347 1.00 0.00 C ATOM 0 H VAL A 69 3.442 2.744 5.403 1.00 0.00 H new ATOM 0 HA VAL A 69 3.115 0.698 3.307 1.00 0.00 H new ATOM 0 HB VAL A 69 4.528 3.367 2.943 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.459 2.765 0.558 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.347 1.558 1.519 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.687 1.217 0.975 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.603 4.044 1.567 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.753 2.550 2.027 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.140 3.770 3.264 1.00 0.00 H new ATOM 1106 N LEU A 70 5.501 -0.051 3.542 1.00 0.00 N ATOM 1107 CA LEU A 70 6.812 -0.611 3.850 1.00 0.00 C ATOM 1108 C LEU A 70 7.737 -0.531 2.639 1.00 0.00 C ATOM 1109 O LEU A 70 7.281 -0.379 1.505 1.00 0.00 O ATOM 1110 CB LEU A 70 6.674 -2.065 4.304 1.00 0.00 C ATOM 1111 CG LEU A 70 5.652 -2.328 5.411 1.00 0.00 C ATOM 1112 CD1 LEU A 70 5.556 -3.817 5.706 1.00 0.00 C ATOM 1113 CD2 LEU A 70 6.019 -1.556 6.669 1.00 0.00 C ATOM 0 H LEU A 70 4.962 -0.588 2.863 1.00 0.00 H new ATOM 0 HA LEU A 70 7.249 -0.024 4.658 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.406 -2.671 3.438 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.649 -2.412 4.647 1.00 0.00 H new ATOM 0 HG LEU A 70 4.676 -1.983 5.068 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.824 -3.985 6.496 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.246 -4.347 4.805 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.529 -4.188 6.028 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.281 -1.755 7.446 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.004 -1.870 7.015 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.035 -0.489 6.449 1.00 0.00 H new ATOM 1125 N LYS A 71 9.038 -0.635 2.887 1.00 0.00 N ATOM 1126 CA LYS A 71 10.028 -0.577 1.818 1.00 0.00 C ATOM 1127 C LYS A 71 10.104 -1.907 1.074 1.00 0.00 C ATOM 1128 O LYS A 71 10.990 -2.116 0.246 1.00 0.00 O ATOM 1129 CB LYS A 71 11.403 -0.219 2.386 1.00 0.00 C ATOM 1130 CG LYS A 71 11.525 1.233 2.813 1.00 0.00 C ATOM 1131 CD LYS A 71 10.719 1.516 4.070 1.00 0.00 C ATOM 1132 CE LYS A 71 10.981 2.918 4.597 1.00 0.00 C ATOM 1133 NZ LYS A 71 11.192 3.895 3.493 1.00 0.00 N ATOM 0 H LYS A 71 9.432 -0.760 3.820 1.00 0.00 H new ATOM 0 HA LYS A 71 9.720 0.196 1.114 1.00 0.00 H new ATOM 0 HB2 LYS A 71 11.611 -0.860 3.243 1.00 0.00 H new ATOM 0 HB3 LYS A 71 12.164 -0.434 1.636 1.00 0.00 H new ATOM 0 HG2 LYS A 71 12.573 1.474 2.990 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.181 1.880 2.006 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.657 1.399 3.856 1.00 0.00 H new ATOM 0 HD3 LYS A 71 10.972 0.785 4.838 1.00 0.00 H new ATOM 0 HE2 LYS A 71 10.139 3.239 5.210 1.00 0.00 H new ATOM 0 HE3 LYS A 71 11.859 2.905 5.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 11.047 4.860 3.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 12.162 3.803 3.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 10.515 3.705 2.727 1.00 0.00 H new ATOM 1147 N TYR A 72 9.169 -2.802 1.375 1.00 0.00 N ATOM 1148 CA TYR A 72 9.131 -4.112 0.736 1.00 0.00 C ATOM 1149 C TYR A 72 10.501 -4.781 0.784 1.00 0.00 C ATOM 1150 O TYR A 72 10.973 -5.329 -0.213 1.00 0.00 O ATOM 1151 CB TYR A 72 8.665 -3.981 -0.715 1.00 0.00 C ATOM 1152 CG TYR A 72 7.913 -5.191 -1.221 1.00 0.00 C ATOM 1153 CD1 TYR A 72 8.591 -6.310 -1.689 1.00 0.00 C ATOM 1154 CD2 TYR A 72 6.524 -5.215 -1.231 1.00 0.00 C ATOM 1155 CE1 TYR A 72 7.908 -7.417 -2.152 1.00 0.00 C ATOM 1156 CE2 TYR A 72 5.832 -6.319 -1.691 1.00 0.00 C ATOM 1157 CZ TYR A 72 6.528 -7.417 -2.151 1.00 0.00 C ATOM 1158 OH TYR A 72 5.843 -8.518 -2.612 1.00 0.00 O ATOM 0 H TYR A 72 8.428 -2.644 2.057 1.00 0.00 H new ATOM 0 HA TYR A 72 8.423 -4.735 1.283 1.00 0.00 H new ATOM 0 HB2 TYR A 72 8.026 -3.103 -0.805 1.00 0.00 H new ATOM 0 HB3 TYR A 72 9.533 -3.810 -1.352 1.00 0.00 H new ATOM 0 HD1 TYR A 72 9.671 -6.314 -1.691 1.00 0.00 H new ATOM 0 HD2 TYR A 72 5.976 -4.356 -0.873 1.00 0.00 H new ATOM 0 HE1 TYR A 72 8.451 -8.278 -2.513 1.00 0.00 H new ATOM 0 HE2 TYR A 72 4.752 -6.322 -1.690 1.00 0.00 H new ATOM 0 HH TYR A 72 4.987 -8.591 -2.141 1.00 0.00 H new ATOM 1168 N VAL A 73 11.136 -4.732 1.951 1.00 0.00 N ATOM 1169 CA VAL A 73 12.452 -5.335 2.131 1.00 0.00 C ATOM 1170 C VAL A 73 12.363 -6.608 2.965 1.00 0.00 C ATOM 1171 O VAL A 73 11.380 -6.832 3.672 1.00 0.00 O ATOM 1172 CB VAL A 73 13.429 -4.356 2.809 1.00 0.00 C ATOM 1173 CG1 VAL A 73 13.761 -3.201 1.877 1.00 0.00 C ATOM 1174 CG2 VAL A 73 12.847 -3.845 4.119 1.00 0.00 C ATOM 0 H VAL A 73 10.761 -4.281 2.786 1.00 0.00 H new ATOM 0 HA VAL A 73 12.827 -5.581 1.138 1.00 0.00 H new ATOM 0 HB VAL A 73 14.354 -4.888 3.032 1.00 0.00 H new ATOM 0 HG11 VAL A 73 14.452 -2.520 2.373 1.00 0.00 H new ATOM 0 HG12 VAL A 73 14.222 -3.588 0.968 1.00 0.00 H new ATOM 0 HG13 VAL A 73 12.847 -2.666 1.620 1.00 0.00 H new ATOM 0 HG21 VAL A 73 13.550 -3.155 4.585 1.00 0.00 H new ATOM 0 HG22 VAL A 73 11.907 -3.329 3.923 1.00 0.00 H new ATOM 0 HG23 VAL A 73 12.666 -4.685 4.789 1.00 0.00 H new ATOM 1184 N ASP A 74 13.396 -7.438 2.878 1.00 0.00 N ATOM 1185 CA ASP A 74 13.437 -8.689 3.627 1.00 0.00 C ATOM 1186 C ASP A 74 12.748 -8.536 4.979 1.00 0.00 C ATOM 1187 O ASP A 74 11.757 -9.209 5.264 1.00 0.00 O ATOM 1188 CB ASP A 74 14.884 -9.143 3.826 1.00 0.00 C ATOM 1189 CG ASP A 74 14.981 -10.589 4.270 1.00 0.00 C ATOM 1190 OD1 ASP A 74 14.080 -11.379 3.921 1.00 0.00 O ATOM 1191 OD2 ASP A 74 15.960 -10.930 4.966 1.00 0.00 O ATOM 0 H ASP A 74 14.216 -7.268 2.296 1.00 0.00 H new ATOM 0 HA ASP A 74 12.904 -9.445 3.051 1.00 0.00 H new ATOM 0 HB2 ASP A 74 15.434 -9.015 2.893 1.00 0.00 H new ATOM 0 HB3 ASP A 74 15.363 -8.505 4.569 1.00 0.00 H new ATOM 1196 N THR A 75 13.280 -7.646 5.811 1.00 0.00 N ATOM 1197 CA THR A 75 12.719 -7.405 7.135 1.00 0.00 C ATOM 1198 C THR A 75 11.200 -7.290 7.075 1.00 0.00 C ATOM 1199 O THR A 75 10.485 -8.034 7.744 1.00 0.00 O ATOM 1200 CB THR A 75 13.296 -6.124 7.765 1.00 0.00 C ATOM 1201 OG1 THR A 75 14.723 -6.124 7.656 1.00 0.00 O ATOM 1202 CG2 THR A 75 12.894 -6.012 9.228 1.00 0.00 C ATOM 0 H THR A 75 14.099 -7.080 5.591 1.00 0.00 H new ATOM 0 HA THR A 75 12.992 -8.259 7.755 1.00 0.00 H new ATOM 0 HB THR A 75 12.891 -5.267 7.227 1.00 0.00 H new ATOM 0 HG1 THR A 75 15.082 -5.305 8.057 1.00 0.00 H new ATOM 0 HG21 THR A 75 13.313 -5.099 9.652 1.00 0.00 H new ATOM 0 HG22 THR A 75 11.807 -5.982 9.305 1.00 0.00 H new ATOM 0 HG23 THR A 75 13.273 -6.874 9.777 1.00 0.00 H new ATOM 1210 N ASN A 76 10.714 -6.352 6.268 1.00 0.00 N ATOM 1211 CA ASN A 76 9.279 -6.139 6.121 1.00 0.00 C ATOM 1212 C ASN A 76 8.582 -7.421 5.675 1.00 0.00 C ATOM 1213 O ASN A 76 7.501 -7.755 6.162 1.00 0.00 O ATOM 1214 CB ASN A 76 9.009 -5.020 5.113 1.00 0.00 C ATOM 1215 CG ASN A 76 9.352 -3.650 5.664 1.00 0.00 C ATOM 1216 OD1 ASN A 76 9.140 -3.372 6.844 1.00 0.00 O ATOM 1217 ND2 ASN A 76 9.886 -2.786 4.809 1.00 0.00 N ATOM 0 H ASN A 76 11.293 -5.728 5.706 1.00 0.00 H new ATOM 0 HA ASN A 76 8.878 -5.848 7.092 1.00 0.00 H new ATOM 0 HB2 ASN A 76 9.591 -5.201 4.209 1.00 0.00 H new ATOM 0 HB3 ASN A 76 7.958 -5.040 4.825 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.138 -1.849 5.122 1.00 0.00 H new ATOM 0 HD22 ASN A 76 10.044 -3.060 3.839 1.00 0.00 H new ATOM 1224 N LEU A 77 9.207 -8.135 4.745 1.00 0.00 N ATOM 1225 CA LEU A 77 8.648 -9.381 4.233 1.00 0.00 C ATOM 1226 C LEU A 77 8.439 -10.388 5.359 1.00 0.00 C ATOM 1227 O LEU A 77 7.406 -11.053 5.425 1.00 0.00 O ATOM 1228 CB LEU A 77 9.569 -9.975 3.166 1.00 0.00 C ATOM 1229 CG LEU A 77 9.697 -9.177 1.868 1.00 0.00 C ATOM 1230 CD1 LEU A 77 10.824 -9.729 1.010 1.00 0.00 C ATOM 1231 CD2 LEU A 77 8.383 -9.194 1.101 1.00 0.00 C ATOM 0 H LEU A 77 10.101 -7.872 4.330 1.00 0.00 H new ATOM 0 HA LEU A 77 7.679 -9.159 3.786 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.563 -10.091 3.597 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.210 -10.974 2.920 1.00 0.00 H new ATOM 0 HG LEU A 77 9.934 -8.144 2.121 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.899 -9.148 0.091 1.00 0.00 H new ATOM 0 HD12 LEU A 77 11.764 -9.664 1.558 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.618 -10.771 0.765 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.492 -8.621 0.180 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.116 -10.223 0.859 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.598 -8.750 1.714 1.00 0.00 H new ATOM 1243 N GLN A 78 9.426 -10.492 6.244 1.00 0.00 N ATOM 1244 CA GLN A 78 9.348 -11.417 7.368 1.00 0.00 C ATOM 1245 C GLN A 78 8.020 -11.269 8.104 1.00 0.00 C ATOM 1246 O GLN A 78 7.529 -12.217 8.718 1.00 0.00 O ATOM 1247 CB GLN A 78 10.509 -11.176 8.335 1.00 0.00 C ATOM 1248 CG GLN A 78 11.866 -11.115 7.652 1.00 0.00 C ATOM 1249 CD GLN A 78 12.991 -11.600 8.545 1.00 0.00 C ATOM 1250 OE1 GLN A 78 13.266 -11.013 9.591 1.00 0.00 O ATOM 1251 NE2 GLN A 78 13.648 -12.679 8.136 1.00 0.00 N ATOM 0 H GLN A 78 10.288 -9.948 6.204 1.00 0.00 H new ATOM 0 HA GLN A 78 9.414 -12.432 6.976 1.00 0.00 H new ATOM 0 HB2 GLN A 78 10.338 -10.242 8.869 1.00 0.00 H new ATOM 0 HB3 GLN A 78 10.522 -11.972 9.080 1.00 0.00 H new ATOM 0 HG2 GLN A 78 11.840 -11.720 6.746 1.00 0.00 H new ATOM 0 HG3 GLN A 78 12.068 -10.089 7.344 1.00 0.00 H new ATOM 0 HE21 GLN A 78 13.386 -13.134 7.262 1.00 0.00 H new ATOM 0 HE22 GLN A 78 14.414 -13.052 8.696 1.00 0.00 H new ATOM 1260 N LYS A 79 7.443 -10.075 8.038 1.00 0.00 N ATOM 1261 CA LYS A 79 6.170 -9.802 8.697 1.00 0.00 C ATOM 1262 C LYS A 79 4.999 -10.205 7.806 1.00 0.00 C ATOM 1263 O LYS A 79 4.243 -11.117 8.136 1.00 0.00 O ATOM 1264 CB LYS A 79 6.066 -8.318 9.055 1.00 0.00 C ATOM 1265 CG LYS A 79 4.684 -7.903 9.531 1.00 0.00 C ATOM 1266 CD LYS A 79 4.633 -6.422 9.869 1.00 0.00 C ATOM 1267 CE LYS A 79 3.541 -6.121 10.885 1.00 0.00 C ATOM 1268 NZ LYS A 79 3.888 -4.953 11.742 1.00 0.00 N ATOM 0 H LYS A 79 7.836 -9.280 7.535 1.00 0.00 H new ATOM 0 HA LYS A 79 6.128 -10.394 9.612 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.793 -8.089 9.834 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.335 -7.723 8.182 1.00 0.00 H new ATOM 0 HG2 LYS A 79 3.949 -8.126 8.757 1.00 0.00 H new ATOM 0 HG3 LYS A 79 4.410 -8.487 10.409 1.00 0.00 H new ATOM 0 HD2 LYS A 79 5.598 -6.104 10.265 1.00 0.00 H new ATOM 0 HD3 LYS A 79 4.456 -5.846 8.961 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.604 -5.924 10.364 1.00 0.00 H new ATOM 0 HE3 LYS A 79 3.378 -6.997 11.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 3.044 -4.642 12.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 4.631 -5.226 12.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 4.232 -4.174 11.145 1.00 0.00 H new ATOM 1282 N GLN A 80 4.858 -9.519 6.676 1.00 0.00 N ATOM 1283 CA GLN A 80 3.779 -9.807 5.739 1.00 0.00 C ATOM 1284 C GLN A 80 3.472 -11.300 5.704 1.00 0.00 C ATOM 1285 O GLN A 80 2.319 -11.703 5.551 1.00 0.00 O ATOM 1286 CB GLN A 80 4.149 -9.318 4.337 1.00 0.00 C ATOM 1287 CG GLN A 80 3.154 -9.734 3.265 1.00 0.00 C ATOM 1288 CD GLN A 80 3.762 -9.741 1.877 1.00 0.00 C ATOM 1289 OE1 GLN A 80 4.983 -9.781 1.721 1.00 0.00 O ATOM 1290 NE2 GLN A 80 2.911 -9.703 0.858 1.00 0.00 N ATOM 0 H GLN A 80 5.477 -8.761 6.388 1.00 0.00 H new ATOM 0 HA GLN A 80 2.887 -9.279 6.078 1.00 0.00 H new ATOM 0 HB2 GLN A 80 4.224 -8.231 4.349 1.00 0.00 H new ATOM 0 HB3 GLN A 80 5.135 -9.703 4.075 1.00 0.00 H new ATOM 0 HG2 GLN A 80 2.772 -10.729 3.495 1.00 0.00 H new ATOM 0 HG3 GLN A 80 2.302 -9.054 3.281 1.00 0.00 H new ATOM 0 HE21 GLN A 80 1.907 -9.671 1.033 1.00 0.00 H new ATOM 0 HE22 GLN A 80 3.262 -9.706 -0.100 1.00 0.00 H new ATOM 1299 N ARG A 81 4.511 -12.117 5.847 1.00 0.00 N ATOM 1300 CA ARG A 81 4.352 -13.566 5.830 1.00 0.00 C ATOM 1301 C ARG A 81 3.820 -14.070 7.169 1.00 0.00 C ATOM 1302 O ARG A 81 2.920 -14.908 7.213 1.00 0.00 O ATOM 1303 CB ARG A 81 5.687 -14.243 5.513 1.00 0.00 C ATOM 1304 CG ARG A 81 6.716 -14.110 6.623 1.00 0.00 C ATOM 1305 CD ARG A 81 8.010 -14.828 6.272 1.00 0.00 C ATOM 1306 NE ARG A 81 8.904 -14.938 7.421 1.00 0.00 N ATOM 1307 CZ ARG A 81 9.977 -15.722 7.445 1.00 0.00 C ATOM 1308 NH1 ARG A 81 10.287 -16.459 6.388 1.00 0.00 N ATOM 1309 NH2 ARG A 81 10.742 -15.768 8.528 1.00 0.00 N ATOM 0 H ARG A 81 5.472 -11.800 5.976 1.00 0.00 H new ATOM 0 HA ARG A 81 3.630 -13.818 5.053 1.00 0.00 H new ATOM 0 HB2 ARG A 81 5.511 -15.301 5.317 1.00 0.00 H new ATOM 0 HB3 ARG A 81 6.094 -13.813 4.598 1.00 0.00 H new ATOM 0 HG2 ARG A 81 6.922 -13.055 6.805 1.00 0.00 H new ATOM 0 HG3 ARG A 81 6.310 -14.520 7.548 1.00 0.00 H new ATOM 0 HD2 ARG A 81 7.781 -15.824 5.895 1.00 0.00 H new ATOM 0 HD3 ARG A 81 8.516 -14.292 5.469 1.00 0.00 H new ATOM 0 HE ARG A 81 8.694 -14.383 8.251 1.00 0.00 H new ATOM 0 HH11 ARG A 81 9.702 -16.425 5.553 1.00 0.00 H new ATOM 0 HH12 ARG A 81 11.111 -17.060 6.409 1.00 0.00 H new ATOM 0 HH21 ARG A 81 10.507 -15.201 9.343 1.00 0.00 H new ATOM 0 HH22 ARG A 81 11.565 -16.370 8.546 1.00 0.00 H new ATOM 1323 N GLU A 82 4.383 -13.553 8.256 1.00 0.00 N ATOM 1324 CA GLU A 82 3.965 -13.952 9.595 1.00 0.00 C ATOM 1325 C GLU A 82 2.468 -13.722 9.789 1.00 0.00 C ATOM 1326 O GLU A 82 1.791 -14.502 10.459 1.00 0.00 O ATOM 1327 CB GLU A 82 4.752 -13.175 10.652 1.00 0.00 C ATOM 1328 CG GLU A 82 4.060 -11.904 11.115 1.00 0.00 C ATOM 1329 CD GLU A 82 4.969 -11.010 11.936 1.00 0.00 C ATOM 1330 OE1 GLU A 82 6.202 -11.192 11.865 1.00 0.00 O ATOM 1331 OE2 GLU A 82 4.446 -10.129 12.651 1.00 0.00 O ATOM 0 H GLU A 82 5.129 -12.858 8.236 1.00 0.00 H new ATOM 0 HA GLU A 82 4.170 -15.016 9.709 1.00 0.00 H new ATOM 0 HB2 GLU A 82 4.922 -13.821 11.514 1.00 0.00 H new ATOM 0 HB3 GLU A 82 5.731 -12.919 10.248 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.703 -11.352 10.246 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.184 -12.167 11.708 1.00 0.00 H new ATOM 1338 N LEU A 83 1.960 -12.646 9.199 1.00 0.00 N ATOM 1339 CA LEU A 83 0.544 -12.312 9.306 1.00 0.00 C ATOM 1340 C LEU A 83 -0.291 -13.169 8.361 1.00 0.00 C ATOM 1341 O LEU A 83 -1.278 -13.780 8.771 1.00 0.00 O ATOM 1342 CB LEU A 83 0.325 -10.830 8.997 1.00 0.00 C ATOM 1343 CG LEU A 83 1.252 -9.850 9.716 1.00 0.00 C ATOM 1344 CD1 LEU A 83 1.032 -8.434 9.204 1.00 0.00 C ATOM 1345 CD2 LEU A 83 1.033 -9.915 11.220 1.00 0.00 C ATOM 0 H LEU A 83 2.507 -11.990 8.642 1.00 0.00 H new ATOM 0 HA LEU A 83 0.224 -12.515 10.328 1.00 0.00 H new ATOM 0 HB2 LEU A 83 0.437 -10.683 7.923 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.705 -10.576 9.248 1.00 0.00 H new ATOM 0 HG LEU A 83 2.283 -10.134 9.506 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.700 -7.750 9.727 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.240 -8.397 8.135 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.002 -8.139 9.383 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.701 -9.211 11.716 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -0.001 -9.657 11.449 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.242 -10.924 11.575 1.00 0.00 H new ATOM 1357 N GLN A 84 0.113 -13.212 7.095 1.00 0.00 N ATOM 1358 CA GLN A 84 -0.597 -13.997 6.093 1.00 0.00 C ATOM 1359 C GLN A 84 -0.796 -15.433 6.566 1.00 0.00 C ATOM 1360 O GLN A 84 -1.774 -16.088 6.205 1.00 0.00 O ATOM 1361 CB GLN A 84 0.168 -13.984 4.768 1.00 0.00 C ATOM 1362 CG GLN A 84 0.027 -12.682 3.997 1.00 0.00 C ATOM 1363 CD GLN A 84 0.880 -12.651 2.744 1.00 0.00 C ATOM 1364 OE1 GLN A 84 1.357 -13.686 2.278 1.00 0.00 O ATOM 1365 NE2 GLN A 84 1.078 -11.459 2.192 1.00 0.00 N ATOM 0 H GLN A 84 0.928 -12.712 6.740 1.00 0.00 H new ATOM 0 HA GLN A 84 -1.578 -13.545 5.942 1.00 0.00 H new ATOM 0 HB2 GLN A 84 1.224 -14.167 4.966 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -0.186 -14.805 4.145 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -1.018 -12.537 3.724 1.00 0.00 H new ATOM 0 HG3 GLN A 84 0.306 -11.850 4.643 1.00 0.00 H new ATOM 0 HE21 GLN A 84 0.663 -10.627 2.612 1.00 0.00 H new ATOM 0 HE22 GLN A 84 1.645 -11.376 1.348 1.00 0.00 H new ATOM 1374 N LYS A 85 0.140 -15.919 7.375 1.00 0.00 N ATOM 1375 CA LYS A 85 0.069 -17.278 7.899 1.00 0.00 C ATOM 1376 C LYS A 85 -0.611 -17.300 9.264 1.00 0.00 C ATOM 1377 O LYS A 85 -1.439 -18.167 9.542 1.00 0.00 O ATOM 1378 CB LYS A 85 1.472 -17.879 8.007 1.00 0.00 C ATOM 1379 CG LYS A 85 2.323 -17.245 9.093 1.00 0.00 C ATOM 1380 CD LYS A 85 3.775 -17.682 8.990 1.00 0.00 C ATOM 1381 CE LYS A 85 3.959 -19.117 9.458 1.00 0.00 C ATOM 1382 NZ LYS A 85 4.152 -19.200 10.932 1.00 0.00 N ATOM 0 H LYS A 85 0.957 -15.391 7.682 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.524 -17.877 7.207 1.00 0.00 H new ATOM 0 HB2 LYS A 85 1.386 -18.948 8.202 1.00 0.00 H new ATOM 0 HB3 LYS A 85 1.980 -17.769 7.049 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.263 -16.159 9.017 1.00 0.00 H new ATOM 0 HG3 LYS A 85 1.928 -17.518 10.072 1.00 0.00 H new ATOM 0 HD2 LYS A 85 4.112 -17.589 7.958 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.399 -17.020 9.590 1.00 0.00 H new ATOM 0 HE2 LYS A 85 3.088 -19.707 9.172 1.00 0.00 H new ATOM 0 HE3 LYS A 85 4.820 -19.556 8.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 4.274 -20.195 11.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 4.998 -18.659 11.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 3.319 -18.805 11.414 1.00 0.00 H new