USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=14 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= -1.75 K(o=-4.9,f=-3.9!) USER MOD Set 1.2: A 84 GLN : amide:sc= -3.2! K(o=-4.9!,f=-1.8) USER MOD Set 2.1: A 26 CYS SG : rot -170:sc= -5.05! USER MOD Set 2.2: A 28 HIS : no HD1:sc= -0.397 X(o=-5.4,f=-5.4) USER MOD Set 2.3: A 53 TYR OH : rot -50:sc= 0.0131 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= -0.0368 K(o=-0.037,f=-1.6!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -147:sc= -0.536 (180deg=-1.81!) USER MOD Single : A 37 CYS SG : rot 180:sc= -0.0977 USER MOD Single : A 39 LYS NZ :NH3+ -141:sc= 0.837 (180deg=0.115) USER MOD Single : A 43 LYS NZ :NH3+ 170:sc= -0.242 (180deg=-0.313) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ -116:sc= -0.962 (180deg=-2!) USER MOD Single : A 49 TYR OH : rot -176:sc= -1.88 USER MOD Single : A 52 HIS : no HD1:sc= -0.0539 X(o=-0.054,f=-0.017) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 150:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -6.29! C(o=-6.3!,f=-5!) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=-0.0065) USER MOD Single : A 79 LYS NZ :NH3+ 124:sc= -0.0394 (180deg=-0.93) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 158 N PRO A 14 6.759 18.537 3.453 1.00 0.00 N ATOM 159 CA PRO A 14 7.738 17.469 3.677 1.00 0.00 C ATOM 160 C PRO A 14 8.033 16.678 2.407 1.00 0.00 C ATOM 161 O PRO A 14 7.396 16.882 1.373 1.00 0.00 O ATOM 162 CB PRO A 14 7.057 16.576 4.717 1.00 0.00 C ATOM 163 CG PRO A 14 5.599 16.818 4.528 1.00 0.00 C ATOM 164 CD PRO A 14 5.469 18.255 4.106 1.00 0.00 C ATOM 0 HA PRO A 14 8.703 17.861 3.998 1.00 0.00 H new ATOM 0 HB2 PRO A 14 7.307 15.526 4.562 1.00 0.00 H new ATOM 0 HB3 PRO A 14 7.373 16.834 5.728 1.00 0.00 H new ATOM 0 HG2 PRO A 14 5.188 16.150 3.771 1.00 0.00 H new ATOM 0 HG3 PRO A 14 5.050 16.631 5.451 1.00 0.00 H new ATOM 0 HD2 PRO A 14 4.633 18.399 3.422 1.00 0.00 H new ATOM 0 HD3 PRO A 14 5.299 18.911 4.960 1.00 0.00 H new ATOM 172 N LYS A 15 9.002 15.773 2.491 1.00 0.00 N ATOM 173 CA LYS A 15 9.382 14.949 1.349 1.00 0.00 C ATOM 174 C LYS A 15 9.080 13.478 1.616 1.00 0.00 C ATOM 175 O LYS A 15 9.377 12.942 2.684 1.00 0.00 O ATOM 176 CB LYS A 15 10.869 15.128 1.037 1.00 0.00 C ATOM 177 CG LYS A 15 11.212 14.926 -0.429 1.00 0.00 C ATOM 178 CD LYS A 15 11.488 13.465 -0.741 1.00 0.00 C ATOM 179 CE LYS A 15 11.995 13.285 -2.164 1.00 0.00 C ATOM 180 NZ LYS A 15 11.736 11.911 -2.676 1.00 0.00 N ATOM 0 H LYS A 15 9.539 15.591 3.339 1.00 0.00 H new ATOM 0 HA LYS A 15 8.796 15.271 0.488 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.177 16.129 1.339 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.445 14.423 1.637 1.00 0.00 H new ATOM 0 HG2 LYS A 15 10.389 15.282 -1.049 1.00 0.00 H new ATOM 0 HG3 LYS A 15 12.086 15.525 -0.685 1.00 0.00 H new ATOM 0 HD2 LYS A 15 12.225 13.075 -0.039 1.00 0.00 H new ATOM 0 HD3 LYS A 15 10.576 12.884 -0.602 1.00 0.00 H new ATOM 0 HE2 LYS A 15 11.512 14.013 -2.816 1.00 0.00 H new ATOM 0 HE3 LYS A 15 13.065 13.489 -2.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 12.096 11.829 -3.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 12.218 11.218 -2.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 10.713 11.725 -2.669 1.00 0.00 H new ATOM 194 N PRO A 16 8.477 12.807 0.623 1.00 0.00 N ATOM 195 CA PRO A 16 8.124 11.388 0.727 1.00 0.00 C ATOM 196 C PRO A 16 9.352 10.484 0.724 1.00 0.00 C ATOM 197 O PRO A 16 10.424 10.876 0.261 1.00 0.00 O ATOM 198 CB PRO A 16 7.276 11.142 -0.523 1.00 0.00 C ATOM 199 CG PRO A 16 7.724 12.177 -1.496 1.00 0.00 C ATOM 200 CD PRO A 16 8.094 13.382 -0.677 1.00 0.00 C ATOM 0 HA PRO A 16 7.608 11.163 1.660 1.00 0.00 H new ATOM 0 HB2 PRO A 16 7.431 10.137 -0.915 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.212 11.238 -0.305 1.00 0.00 H new ATOM 0 HG2 PRO A 16 8.576 11.824 -2.077 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.931 12.415 -2.205 1.00 0.00 H new ATOM 0 HD2 PRO A 16 8.916 13.938 -1.128 1.00 0.00 H new ATOM 0 HD3 PRO A 16 7.257 14.074 -0.579 1.00 0.00 H new ATOM 208 N LYS A 17 9.190 9.271 1.242 1.00 0.00 N ATOM 209 CA LYS A 17 10.284 8.310 1.298 1.00 0.00 C ATOM 210 C LYS A 17 10.208 7.331 0.130 1.00 0.00 C ATOM 211 O LYS A 17 11.215 7.042 -0.516 1.00 0.00 O ATOM 212 CB LYS A 17 10.250 7.544 2.622 1.00 0.00 C ATOM 213 CG LYS A 17 10.417 8.432 3.843 1.00 0.00 C ATOM 214 CD LYS A 17 10.602 7.611 5.108 1.00 0.00 C ATOM 215 CE LYS A 17 12.060 7.233 5.320 1.00 0.00 C ATOM 216 NZ LYS A 17 12.229 6.286 6.456 1.00 0.00 N ATOM 0 H LYS A 17 8.310 8.930 1.629 1.00 0.00 H new ATOM 0 HA LYS A 17 11.222 8.860 1.228 1.00 0.00 H new ATOM 0 HB2 LYS A 17 9.303 7.010 2.699 1.00 0.00 H new ATOM 0 HB3 LYS A 17 11.040 6.793 2.618 1.00 0.00 H new ATOM 0 HG2 LYS A 17 11.278 9.086 3.703 1.00 0.00 H new ATOM 0 HG3 LYS A 17 9.543 9.074 3.949 1.00 0.00 H new ATOM 0 HD2 LYS A 17 10.244 8.179 5.967 1.00 0.00 H new ATOM 0 HD3 LYS A 17 9.996 6.707 5.048 1.00 0.00 H new ATOM 0 HE2 LYS A 17 12.454 6.782 4.409 1.00 0.00 H new ATOM 0 HE3 LYS A 17 12.645 8.133 5.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 13.237 6.053 6.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 11.877 6.726 7.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 11.692 5.416 6.266 1.00 0.00 H new ATOM 230 N PHE A 18 9.008 6.825 -0.135 1.00 0.00 N ATOM 231 CA PHE A 18 8.802 5.879 -1.226 1.00 0.00 C ATOM 232 C PHE A 18 8.556 6.612 -2.542 1.00 0.00 C ATOM 233 O PHE A 18 8.068 7.741 -2.553 1.00 0.00 O ATOM 234 CB PHE A 18 7.620 4.959 -0.913 1.00 0.00 C ATOM 235 CG PHE A 18 7.645 4.404 0.483 1.00 0.00 C ATOM 236 CD1 PHE A 18 7.077 5.109 1.532 1.00 0.00 C ATOM 237 CD2 PHE A 18 8.236 3.179 0.745 1.00 0.00 C ATOM 238 CE1 PHE A 18 7.099 4.601 2.817 1.00 0.00 C ATOM 239 CE2 PHE A 18 8.261 2.666 2.029 1.00 0.00 C ATOM 240 CZ PHE A 18 7.691 3.378 3.066 1.00 0.00 C ATOM 0 H PHE A 18 8.164 7.054 0.390 1.00 0.00 H new ATOM 0 HA PHE A 18 9.705 5.278 -1.329 1.00 0.00 H new ATOM 0 HB2 PHE A 18 6.692 5.511 -1.059 1.00 0.00 H new ATOM 0 HB3 PHE A 18 7.615 4.133 -1.624 1.00 0.00 H new ATOM 0 HD1 PHE A 18 6.612 6.065 1.343 1.00 0.00 H new ATOM 0 HD2 PHE A 18 8.682 2.618 -0.063 1.00 0.00 H new ATOM 0 HE1 PHE A 18 6.653 5.160 3.626 1.00 0.00 H new ATOM 0 HE2 PHE A 18 8.726 1.710 2.220 1.00 0.00 H new ATOM 0 HZ PHE A 18 7.708 2.979 4.070 1.00 0.00 H new ATOM 250 N GLN A 19 8.898 5.959 -3.648 1.00 0.00 N ATOM 251 CA GLN A 19 8.716 6.548 -4.969 1.00 0.00 C ATOM 252 C GLN A 19 7.665 5.783 -5.766 1.00 0.00 C ATOM 253 O GLN A 19 7.418 4.605 -5.514 1.00 0.00 O ATOM 254 CB GLN A 19 10.042 6.562 -5.732 1.00 0.00 C ATOM 255 CG GLN A 19 10.923 7.755 -5.399 1.00 0.00 C ATOM 256 CD GLN A 19 12.025 7.969 -6.418 1.00 0.00 C ATOM 257 OE1 GLN A 19 12.064 7.306 -7.455 1.00 0.00 O ATOM 258 NE2 GLN A 19 12.928 8.898 -6.128 1.00 0.00 N ATOM 0 H GLN A 19 9.302 5.023 -3.655 1.00 0.00 H new ATOM 0 HA GLN A 19 8.370 7.573 -4.837 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.588 5.645 -5.512 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.836 6.561 -6.802 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.307 8.652 -5.342 1.00 0.00 H new ATOM 0 HG3 GLN A 19 11.367 7.610 -4.414 1.00 0.00 H new ATOM 0 HE21 GLN A 19 12.857 9.424 -5.257 1.00 0.00 H new ATOM 0 HE22 GLN A 19 13.693 9.086 -6.776 1.00 0.00 H new ATOM 267 N GLU A 20 7.049 6.463 -6.729 1.00 0.00 N ATOM 268 CA GLU A 20 6.023 5.846 -7.562 1.00 0.00 C ATOM 269 C GLU A 20 6.615 4.729 -8.416 1.00 0.00 C ATOM 270 O GLU A 20 7.734 4.841 -8.916 1.00 0.00 O ATOM 271 CB GLU A 20 5.365 6.895 -8.460 1.00 0.00 C ATOM 272 CG GLU A 20 4.545 7.922 -7.696 1.00 0.00 C ATOM 273 CD GLU A 20 5.361 9.134 -7.290 1.00 0.00 C ATOM 274 OE1 GLU A 20 6.604 9.023 -7.240 1.00 0.00 O ATOM 275 OE2 GLU A 20 4.757 10.194 -7.023 1.00 0.00 O ATOM 0 H GLU A 20 7.242 7.440 -6.951 1.00 0.00 H new ATOM 0 HA GLU A 20 5.268 5.416 -6.904 1.00 0.00 H new ATOM 0 HB2 GLU A 20 6.138 7.411 -9.029 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.721 6.392 -9.181 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.706 8.244 -8.313 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.125 7.456 -6.805 1.00 0.00 H new ATOM 282 N GLY A 21 5.855 3.649 -8.578 1.00 0.00 N ATOM 283 CA GLY A 21 6.321 2.527 -9.371 1.00 0.00 C ATOM 284 C GLY A 21 7.101 1.520 -8.549 1.00 0.00 C ATOM 285 O GLY A 21 7.371 0.411 -9.009 1.00 0.00 O ATOM 0 H GLY A 21 4.926 3.532 -8.174 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.466 2.031 -9.831 1.00 0.00 H new ATOM 0 HA3 GLY A 21 6.950 2.895 -10.181 1.00 0.00 H new ATOM 289 N GLU A 22 7.465 1.908 -7.331 1.00 0.00 N ATOM 290 CA GLU A 22 8.221 1.031 -6.445 1.00 0.00 C ATOM 291 C GLU A 22 7.284 0.157 -5.616 1.00 0.00 C ATOM 292 O GLU A 22 6.326 0.648 -5.019 1.00 0.00 O ATOM 293 CB GLU A 22 9.120 1.854 -5.521 1.00 0.00 C ATOM 294 CG GLU A 22 9.757 1.040 -4.407 1.00 0.00 C ATOM 295 CD GLU A 22 10.943 1.743 -3.776 1.00 0.00 C ATOM 296 OE1 GLU A 22 12.064 1.611 -4.309 1.00 0.00 O ATOM 297 OE2 GLU A 22 10.749 2.426 -2.749 1.00 0.00 O ATOM 0 H GLU A 22 7.249 2.823 -6.936 1.00 0.00 H new ATOM 0 HA GLU A 22 8.844 0.383 -7.062 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.907 2.320 -6.114 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.533 2.660 -5.080 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.011 0.835 -3.640 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.079 0.077 -4.804 1.00 0.00 H new ATOM 304 N ARG A 23 7.569 -1.141 -5.584 1.00 0.00 N ATOM 305 CA ARG A 23 6.751 -2.084 -4.829 1.00 0.00 C ATOM 306 C ARG A 23 6.759 -1.742 -3.342 1.00 0.00 C ATOM 307 O ARG A 23 7.774 -1.304 -2.800 1.00 0.00 O ATOM 308 CB ARG A 23 7.259 -3.512 -5.038 1.00 0.00 C ATOM 309 CG ARG A 23 6.193 -4.574 -4.828 1.00 0.00 C ATOM 310 CD ARG A 23 6.622 -5.916 -5.401 1.00 0.00 C ATOM 311 NE ARG A 23 6.289 -6.037 -6.818 1.00 0.00 N ATOM 312 CZ ARG A 23 5.045 -6.102 -7.278 1.00 0.00 C ATOM 313 NH1 ARG A 23 4.021 -6.057 -6.437 1.00 0.00 N ATOM 314 NH2 ARG A 23 4.823 -6.211 -8.581 1.00 0.00 N ATOM 0 H ARG A 23 8.359 -1.564 -6.071 1.00 0.00 H new ATOM 0 HA ARG A 23 5.727 -2.012 -5.195 1.00 0.00 H new ATOM 0 HB2 ARG A 23 7.656 -3.603 -6.049 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.086 -3.699 -4.353 1.00 0.00 H new ATOM 0 HG2 ARG A 23 5.989 -4.681 -3.763 1.00 0.00 H new ATOM 0 HG3 ARG A 23 5.263 -4.256 -5.300 1.00 0.00 H new ATOM 0 HD2 ARG A 23 7.697 -6.040 -5.269 1.00 0.00 H new ATOM 0 HD3 ARG A 23 6.138 -6.719 -4.845 1.00 0.00 H new ATOM 0 HE ARG A 23 7.054 -6.074 -7.491 1.00 0.00 H new ATOM 0 HH11 ARG A 23 4.188 -5.972 -5.434 1.00 0.00 H new ATOM 0 HH12 ARG A 23 3.066 -6.107 -6.793 1.00 0.00 H new ATOM 0 HH21 ARG A 23 5.608 -6.245 -9.231 1.00 0.00 H new ATOM 0 HH22 ARG A 23 3.867 -6.261 -8.933 1.00 0.00 H new ATOM 328 N VAL A 24 5.620 -1.944 -2.688 1.00 0.00 N ATOM 329 CA VAL A 24 5.495 -1.658 -1.264 1.00 0.00 C ATOM 330 C VAL A 24 4.333 -2.429 -0.648 1.00 0.00 C ATOM 331 O VAL A 24 3.448 -2.911 -1.357 1.00 0.00 O ATOM 332 CB VAL A 24 5.289 -0.153 -1.010 1.00 0.00 C ATOM 333 CG1 VAL A 24 6.458 0.647 -1.567 1.00 0.00 C ATOM 334 CG2 VAL A 24 3.975 0.315 -1.616 1.00 0.00 C ATOM 0 H VAL A 24 4.770 -2.305 -3.122 1.00 0.00 H new ATOM 0 HA VAL A 24 6.427 -1.975 -0.795 1.00 0.00 H new ATOM 0 HB VAL A 24 5.245 0.014 0.066 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.295 1.708 -1.379 1.00 0.00 H new ATOM 0 HG12 VAL A 24 7.381 0.329 -1.081 1.00 0.00 H new ATOM 0 HG13 VAL A 24 6.536 0.477 -2.641 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.846 1.381 -1.427 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.986 0.136 -2.691 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.150 -0.236 -1.165 1.00 0.00 H new ATOM 344 N LEU A 25 4.340 -2.542 0.675 1.00 0.00 N ATOM 345 CA LEU A 25 3.286 -3.255 1.388 1.00 0.00 C ATOM 346 C LEU A 25 2.379 -2.281 2.134 1.00 0.00 C ATOM 347 O LEU A 25 2.852 -1.421 2.877 1.00 0.00 O ATOM 348 CB LEU A 25 3.895 -4.257 2.371 1.00 0.00 C ATOM 349 CG LEU A 25 4.834 -5.302 1.768 1.00 0.00 C ATOM 350 CD1 LEU A 25 5.613 -6.014 2.862 1.00 0.00 C ATOM 351 CD2 LEU A 25 4.051 -6.303 0.930 1.00 0.00 C ATOM 0 H LEU A 25 5.064 -2.149 1.276 1.00 0.00 H new ATOM 0 HA LEU A 25 2.686 -3.794 0.655 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.443 -3.702 3.132 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.083 -4.777 2.879 1.00 0.00 H new ATOM 0 HG LEU A 25 5.545 -4.792 1.118 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.276 -6.754 2.414 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.204 -5.287 3.419 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.918 -6.512 3.538 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.736 -7.039 0.509 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.317 -6.808 1.558 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.539 -5.780 0.122 1.00 0.00 H new ATOM 363 N CYS A 26 1.073 -2.424 1.933 1.00 0.00 N ATOM 364 CA CYS A 26 0.099 -1.558 2.587 1.00 0.00 C ATOM 365 C CYS A 26 -0.603 -2.293 3.724 1.00 0.00 C ATOM 366 O CYS A 26 -0.914 -3.479 3.613 1.00 0.00 O ATOM 367 CB CYS A 26 -0.931 -1.057 1.574 1.00 0.00 C ATOM 368 SG CYS A 26 -2.281 -0.102 2.305 1.00 0.00 S ATOM 0 H CYS A 26 0.665 -3.132 1.322 1.00 0.00 H new ATOM 0 HA CYS A 26 0.631 -0.703 3.004 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.424 -0.440 0.832 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -1.350 -1.913 1.045 1.00 0.00 H new ATOM 0 HG CYS A 26 -3.204 0.098 1.412 1.00 0.00 H new ATOM 374 N PHE A 27 -0.850 -1.580 4.819 1.00 0.00 N ATOM 375 CA PHE A 27 -1.514 -2.165 5.978 1.00 0.00 C ATOM 376 C PHE A 27 -3.030 -2.123 5.815 1.00 0.00 C ATOM 377 O PHE A 27 -3.640 -1.053 5.845 1.00 0.00 O ATOM 378 CB PHE A 27 -1.106 -1.424 7.253 1.00 0.00 C ATOM 379 CG PHE A 27 0.108 -2.004 7.921 1.00 0.00 C ATOM 380 CD1 PHE A 27 0.052 -3.246 8.532 1.00 0.00 C ATOM 381 CD2 PHE A 27 1.306 -1.307 7.938 1.00 0.00 C ATOM 382 CE1 PHE A 27 1.167 -3.783 9.147 1.00 0.00 C ATOM 383 CE2 PHE A 27 2.424 -1.839 8.551 1.00 0.00 C ATOM 384 CZ PHE A 27 2.355 -3.078 9.158 1.00 0.00 C ATOM 0 H PHE A 27 -0.600 -0.597 4.927 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.204 -3.207 6.056 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.913 -0.379 7.010 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.940 -1.439 7.955 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -0.874 -3.801 8.528 1.00 0.00 H new ATOM 0 HD2 PHE A 27 1.366 -0.337 7.467 1.00 0.00 H new ATOM 0 HE1 PHE A 27 1.110 -4.753 9.619 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.352 -1.286 8.556 1.00 0.00 H new ATOM 0 HZ PHE A 27 3.227 -3.494 9.640 1.00 0.00 H new ATOM 394 N HIS A 28 -3.634 -3.294 5.642 1.00 0.00 N ATOM 395 CA HIS A 28 -5.079 -3.393 5.475 1.00 0.00 C ATOM 396 C HIS A 28 -5.730 -3.998 6.715 1.00 0.00 C ATOM 397 O HIS A 28 -6.835 -4.536 6.648 1.00 0.00 O ATOM 398 CB HIS A 28 -5.415 -4.236 4.244 1.00 0.00 C ATOM 399 CG HIS A 28 -6.855 -4.159 3.840 1.00 0.00 C ATOM 400 ND1 HIS A 28 -7.526 -5.205 3.241 1.00 0.00 N ATOM 401 CD2 HIS A 28 -7.754 -3.154 3.954 1.00 0.00 C ATOM 402 CE1 HIS A 28 -8.774 -4.845 3.003 1.00 0.00 C ATOM 403 NE2 HIS A 28 -8.939 -3.605 3.426 1.00 0.00 N ATOM 0 H HIS A 28 -3.144 -4.188 5.614 1.00 0.00 H new ATOM 0 HA HIS A 28 -5.473 -2.387 5.335 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -4.794 -3.909 3.410 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -5.158 -5.276 4.445 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -7.573 -2.179 4.381 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -9.531 -5.461 2.541 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -9.805 -3.069 3.370 1.00 0.00 H new ATOM 412 N GLY A 29 -5.037 -3.907 7.846 1.00 0.00 N ATOM 413 CA GLY A 29 -5.563 -4.451 9.084 1.00 0.00 C ATOM 414 C GLY A 29 -4.578 -5.369 9.779 1.00 0.00 C ATOM 415 O GLY A 29 -3.371 -5.125 9.790 1.00 0.00 O ATOM 0 H GLY A 29 -4.121 -3.466 7.927 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -5.827 -3.632 9.754 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.481 -5.000 8.875 1.00 0.00 H new ATOM 419 N PRO A 30 -5.093 -6.454 10.376 1.00 0.00 N ATOM 420 CA PRO A 30 -4.267 -7.433 11.089 1.00 0.00 C ATOM 421 C PRO A 30 -3.392 -8.249 10.144 1.00 0.00 C ATOM 422 O PRO A 30 -2.681 -9.160 10.572 1.00 0.00 O ATOM 423 CB PRO A 30 -5.298 -8.333 11.775 1.00 0.00 C ATOM 424 CG PRO A 30 -6.524 -8.212 10.938 1.00 0.00 C ATOM 425 CD PRO A 30 -6.523 -6.807 10.402 1.00 0.00 C ATOM 0 HA PRO A 30 -3.572 -6.955 11.779 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -4.952 -9.366 11.823 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -5.485 -8.011 12.800 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -6.516 -8.939 10.126 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -7.420 -8.404 11.528 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -6.968 -6.755 9.408 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.092 -6.132 11.041 1.00 0.00 H new ATOM 433 N LEU A 31 -3.448 -7.919 8.859 1.00 0.00 N ATOM 434 CA LEU A 31 -2.659 -8.621 7.853 1.00 0.00 C ATOM 435 C LEU A 31 -2.089 -7.645 6.829 1.00 0.00 C ATOM 436 O LEU A 31 -2.478 -6.477 6.784 1.00 0.00 O ATOM 437 CB LEU A 31 -3.516 -9.675 7.149 1.00 0.00 C ATOM 438 CG LEU A 31 -4.027 -10.819 8.025 1.00 0.00 C ATOM 439 CD1 LEU A 31 -5.357 -11.339 7.501 1.00 0.00 C ATOM 440 CD2 LEU A 31 -3.001 -11.941 8.089 1.00 0.00 C ATOM 0 H LEU A 31 -4.032 -7.169 8.489 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.828 -9.115 8.358 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.375 -9.176 6.701 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.934 -10.102 6.332 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.182 -10.438 9.034 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.705 -12.153 8.137 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.091 -10.533 7.508 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.229 -11.704 6.482 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.382 -12.747 8.717 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.814 -12.321 7.085 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.071 -11.560 8.512 1.00 0.00 H new ATOM 452 N LEU A 32 -1.167 -8.131 6.006 1.00 0.00 N ATOM 453 CA LEU A 32 -0.544 -7.303 4.979 1.00 0.00 C ATOM 454 C LEU A 32 -0.849 -7.842 3.585 1.00 0.00 C ATOM 455 O LEU A 32 -1.083 -9.038 3.408 1.00 0.00 O ATOM 456 CB LEU A 32 0.969 -7.241 5.194 1.00 0.00 C ATOM 457 CG LEU A 32 1.475 -6.099 6.076 1.00 0.00 C ATOM 458 CD1 LEU A 32 2.904 -6.364 6.524 1.00 0.00 C ATOM 459 CD2 LEU A 32 1.383 -4.772 5.337 1.00 0.00 C ATOM 0 H LEU A 32 -0.834 -9.095 6.030 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.958 -6.298 5.058 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.292 -8.184 5.634 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.451 -7.162 4.220 1.00 0.00 H new ATOM 0 HG LEU A 32 0.842 -6.042 6.962 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.247 -5.541 7.151 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.941 -7.293 7.093 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.550 -6.448 5.650 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.747 -3.971 5.980 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.990 -4.816 4.433 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.345 -4.577 5.067 1.00 0.00 H new ATOM 471 N TYR A 33 -0.843 -6.953 2.598 1.00 0.00 N ATOM 472 CA TYR A 33 -1.119 -7.339 1.220 1.00 0.00 C ATOM 473 C TYR A 33 -0.107 -6.714 0.265 1.00 0.00 C ATOM 474 O TYR A 33 0.412 -5.627 0.519 1.00 0.00 O ATOM 475 CB TYR A 33 -2.536 -6.919 0.825 1.00 0.00 C ATOM 476 CG TYR A 33 -3.613 -7.530 1.693 1.00 0.00 C ATOM 477 CD1 TYR A 33 -3.731 -7.184 3.033 1.00 0.00 C ATOM 478 CD2 TYR A 33 -4.513 -8.452 1.172 1.00 0.00 C ATOM 479 CE1 TYR A 33 -4.713 -7.740 3.830 1.00 0.00 C ATOM 480 CE2 TYR A 33 -5.499 -9.012 1.962 1.00 0.00 C ATOM 481 CZ TYR A 33 -5.595 -8.653 3.290 1.00 0.00 C ATOM 482 OH TYR A 33 -6.575 -9.208 4.080 1.00 0.00 O ATOM 0 H TYR A 33 -0.650 -5.960 2.727 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.035 -8.424 1.150 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.612 -5.833 0.877 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.714 -7.201 -0.213 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.044 -6.468 3.459 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -4.441 -8.736 0.132 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -4.790 -7.461 4.871 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -6.191 -9.727 1.542 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.112 -9.830 3.546 1.00 0.00 H new ATOM 492 N GLU A 34 0.168 -7.409 -0.834 1.00 0.00 N ATOM 493 CA GLU A 34 1.119 -6.922 -1.827 1.00 0.00 C ATOM 494 C GLU A 34 0.542 -5.739 -2.598 1.00 0.00 C ATOM 495 O GLU A 34 -0.601 -5.779 -3.054 1.00 0.00 O ATOM 496 CB GLU A 34 1.495 -8.043 -2.798 1.00 0.00 C ATOM 497 CG GLU A 34 2.505 -7.622 -3.852 1.00 0.00 C ATOM 498 CD GLU A 34 2.687 -8.667 -4.936 1.00 0.00 C ATOM 499 OE1 GLU A 34 1.805 -8.771 -5.814 1.00 0.00 O ATOM 500 OE2 GLU A 34 3.712 -9.380 -4.906 1.00 0.00 O ATOM 0 H GLU A 34 -0.254 -8.310 -1.059 1.00 0.00 H new ATOM 0 HA GLU A 34 2.015 -6.590 -1.302 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.901 -8.881 -2.232 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.593 -8.401 -3.294 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.182 -6.685 -4.306 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.465 -7.429 -3.373 1.00 0.00 H new ATOM 507 N ALA A 35 1.341 -4.686 -2.740 1.00 0.00 N ATOM 508 CA ALA A 35 0.911 -3.492 -3.457 1.00 0.00 C ATOM 509 C ALA A 35 2.107 -2.715 -3.996 1.00 0.00 C ATOM 510 O ALA A 35 3.258 -3.091 -3.770 1.00 0.00 O ATOM 511 CB ALA A 35 0.069 -2.606 -2.550 1.00 0.00 C ATOM 0 H ALA A 35 2.289 -4.636 -2.368 1.00 0.00 H new ATOM 0 HA ALA A 35 0.303 -3.807 -4.305 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.245 -1.718 -3.099 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.811 -3.157 -2.217 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.659 -2.307 -1.684 1.00 0.00 H new ATOM 517 N LYS A 36 1.828 -1.629 -4.709 1.00 0.00 N ATOM 518 CA LYS A 36 2.881 -0.798 -5.281 1.00 0.00 C ATOM 519 C LYS A 36 2.468 0.671 -5.293 1.00 0.00 C ATOM 520 O LYS A 36 1.298 0.994 -5.497 1.00 0.00 O ATOM 521 CB LYS A 36 3.208 -1.258 -6.703 1.00 0.00 C ATOM 522 CG LYS A 36 4.250 -0.398 -7.397 1.00 0.00 C ATOM 523 CD LYS A 36 3.608 0.750 -8.158 1.00 0.00 C ATOM 524 CE LYS A 36 3.173 0.320 -9.551 1.00 0.00 C ATOM 525 NZ LYS A 36 4.251 -0.416 -10.267 1.00 0.00 N ATOM 0 H LYS A 36 0.881 -1.304 -4.905 1.00 0.00 H new ATOM 0 HA LYS A 36 3.770 -0.903 -4.659 1.00 0.00 H new ATOM 0 HB2 LYS A 36 3.563 -2.288 -6.670 1.00 0.00 H new ATOM 0 HB3 LYS A 36 2.293 -1.255 -7.296 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.947 -0.002 -6.658 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.831 -1.012 -8.085 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.745 1.118 -7.603 1.00 0.00 H new ATOM 0 HD3 LYS A 36 4.314 1.577 -8.235 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.289 -0.313 -9.476 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.887 1.199 -10.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.192 -0.214 -11.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.178 -0.111 -9.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.137 -1.438 -10.110 1.00 0.00 H new ATOM 539 N CYS A 37 3.436 1.554 -5.075 1.00 0.00 N ATOM 540 CA CYS A 37 3.173 2.989 -5.061 1.00 0.00 C ATOM 541 C CYS A 37 2.649 3.458 -6.414 1.00 0.00 C ATOM 542 O CYS A 37 3.333 3.343 -7.431 1.00 0.00 O ATOM 543 CB CYS A 37 4.444 3.758 -4.698 1.00 0.00 C ATOM 544 SG CYS A 37 4.159 5.488 -4.257 1.00 0.00 S ATOM 0 H CYS A 37 4.410 1.302 -4.906 1.00 0.00 H new ATOM 0 HA CYS A 37 2.410 3.187 -4.308 1.00 0.00 H new ATOM 0 HB2 CYS A 37 4.933 3.257 -3.862 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.133 3.718 -5.541 1.00 0.00 H new ATOM 0 HG CYS A 37 5.292 6.054 -3.964 1.00 0.00 H new ATOM 550 N VAL A 38 1.429 3.987 -6.420 1.00 0.00 N ATOM 551 CA VAL A 38 0.813 4.473 -7.648 1.00 0.00 C ATOM 552 C VAL A 38 0.883 5.994 -7.734 1.00 0.00 C ATOM 553 O VAL A 38 0.917 6.565 -8.824 1.00 0.00 O ATOM 554 CB VAL A 38 -0.660 4.032 -7.750 1.00 0.00 C ATOM 555 CG1 VAL A 38 -1.191 4.264 -9.156 1.00 0.00 C ATOM 556 CG2 VAL A 38 -0.807 2.572 -7.350 1.00 0.00 C ATOM 0 H VAL A 38 0.848 4.090 -5.588 1.00 0.00 H new ATOM 0 HA VAL A 38 1.373 4.039 -8.476 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.251 4.635 -7.061 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.232 3.947 -9.209 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.122 5.324 -9.401 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.600 3.688 -9.868 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.853 2.277 -7.428 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.205 1.951 -8.013 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.468 2.440 -6.322 1.00 0.00 H new ATOM 566 N LYS A 39 0.906 6.646 -6.576 1.00 0.00 N ATOM 567 CA LYS A 39 0.974 8.101 -6.518 1.00 0.00 C ATOM 568 C LYS A 39 1.465 8.568 -5.152 1.00 0.00 C ATOM 569 O LYS A 39 1.469 7.803 -4.187 1.00 0.00 O ATOM 570 CB LYS A 39 -0.399 8.709 -6.814 1.00 0.00 C ATOM 571 CG LYS A 39 -0.902 8.420 -8.218 1.00 0.00 C ATOM 572 CD LYS A 39 -2.176 9.190 -8.523 1.00 0.00 C ATOM 573 CE LYS A 39 -2.775 8.770 -9.856 1.00 0.00 C ATOM 574 NZ LYS A 39 -3.707 7.618 -9.708 1.00 0.00 N ATOM 0 H LYS A 39 0.879 6.189 -5.665 1.00 0.00 H new ATOM 0 HA LYS A 39 1.683 8.437 -7.274 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.120 8.325 -6.092 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -0.348 9.788 -6.670 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.133 8.686 -8.943 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.087 7.351 -8.327 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.902 9.023 -7.728 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.961 10.259 -8.540 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.307 9.613 -10.297 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -1.974 8.503 -10.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.587 6.969 -10.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.499 7.115 -8.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.687 7.965 -9.687 1.00 0.00 H new ATOM 588 N VAL A 40 1.877 9.830 -5.076 1.00 0.00 N ATOM 589 CA VAL A 40 2.368 10.400 -3.827 1.00 0.00 C ATOM 590 C VAL A 40 1.808 11.801 -3.605 1.00 0.00 C ATOM 591 O VAL A 40 2.215 12.755 -4.266 1.00 0.00 O ATOM 592 CB VAL A 40 3.906 10.465 -3.805 1.00 0.00 C ATOM 593 CG1 VAL A 40 4.400 11.005 -2.472 1.00 0.00 C ATOM 594 CG2 VAL A 40 4.501 9.094 -4.088 1.00 0.00 C ATOM 0 H VAL A 40 1.880 10.477 -5.865 1.00 0.00 H new ATOM 0 HA VAL A 40 2.029 9.744 -3.025 1.00 0.00 H new ATOM 0 HB VAL A 40 4.234 11.147 -4.589 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.489 11.043 -2.476 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.002 12.008 -2.316 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.063 10.352 -1.667 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.589 9.158 -4.069 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.166 8.388 -3.328 1.00 0.00 H new ATOM 0 HG23 VAL A 40 4.175 8.752 -5.070 1.00 0.00 H new ATOM 604 N ALA A 41 0.871 11.916 -2.669 1.00 0.00 N ATOM 605 CA ALA A 41 0.257 13.200 -2.357 1.00 0.00 C ATOM 606 C ALA A 41 0.632 13.663 -0.953 1.00 0.00 C ATOM 607 O ALA A 41 1.054 12.862 -0.118 1.00 0.00 O ATOM 608 CB ALA A 41 -1.256 13.110 -2.498 1.00 0.00 C ATOM 0 H ALA A 41 0.521 11.135 -2.114 1.00 0.00 H new ATOM 0 HA ALA A 41 0.635 13.936 -3.067 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.702 14.076 -2.262 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.510 12.833 -3.521 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.641 12.356 -1.812 1.00 0.00 H new ATOM 614 N ILE A 42 0.477 14.958 -0.701 1.00 0.00 N ATOM 615 CA ILE A 42 0.800 15.526 0.602 1.00 0.00 C ATOM 616 C ILE A 42 -0.236 16.563 1.022 1.00 0.00 C ATOM 617 O ILE A 42 -0.315 17.647 0.444 1.00 0.00 O ATOM 618 CB ILE A 42 2.194 16.180 0.602 1.00 0.00 C ATOM 619 CG1 ILE A 42 3.258 15.164 0.179 1.00 0.00 C ATOM 620 CG2 ILE A 42 2.513 16.749 1.976 1.00 0.00 C ATOM 621 CD1 ILE A 42 4.622 15.777 -0.047 1.00 0.00 C ATOM 0 H ILE A 42 0.130 15.634 -1.382 1.00 0.00 H new ATOM 0 HA ILE A 42 0.795 14.702 1.315 1.00 0.00 H new ATOM 0 HB ILE A 42 2.195 16.999 -0.117 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.338 14.393 0.945 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.934 14.671 -0.737 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.502 17.208 1.959 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.769 17.500 2.240 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.497 15.947 2.714 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.326 14.999 -0.344 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.557 16.528 -0.834 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.967 16.246 0.874 1.00 0.00 H new ATOM 633 N LYS A 43 -1.028 16.224 2.033 1.00 0.00 N ATOM 634 CA LYS A 43 -2.059 17.126 2.534 1.00 0.00 C ATOM 635 C LYS A 43 -2.274 16.928 4.031 1.00 0.00 C ATOM 636 O LYS A 43 -1.709 16.015 4.634 1.00 0.00 O ATOM 637 CB LYS A 43 -3.373 16.899 1.785 1.00 0.00 C ATOM 638 CG LYS A 43 -3.863 15.462 1.837 1.00 0.00 C ATOM 639 CD LYS A 43 -5.376 15.384 1.721 1.00 0.00 C ATOM 640 CE LYS A 43 -5.890 13.994 2.066 1.00 0.00 C ATOM 641 NZ LYS A 43 -5.809 13.720 3.528 1.00 0.00 N ATOM 0 H LYS A 43 -0.976 15.330 2.522 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.724 18.149 2.365 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.139 17.550 2.206 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.243 17.192 0.743 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.405 14.891 1.029 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.545 15.002 2.772 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.831 16.117 2.387 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.678 15.644 0.706 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.924 13.897 1.735 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.310 13.247 1.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.319 12.840 3.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.812 13.620 3.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.239 14.508 4.053 1.00 0.00 H new ATOM 655 N ASP A 44 -3.095 17.787 4.625 1.00 0.00 N ATOM 656 CA ASP A 44 -3.388 17.704 6.051 1.00 0.00 C ATOM 657 C ASP A 44 -2.107 17.517 6.858 1.00 0.00 C ATOM 658 O ASP A 44 -2.123 16.933 7.942 1.00 0.00 O ATOM 659 CB ASP A 44 -4.354 16.552 6.330 1.00 0.00 C ATOM 660 CG ASP A 44 -5.745 16.819 5.788 1.00 0.00 C ATOM 661 OD1 ASP A 44 -5.854 17.244 4.620 1.00 0.00 O ATOM 662 OD2 ASP A 44 -6.723 16.604 6.534 1.00 0.00 O ATOM 0 H ASP A 44 -3.570 18.549 4.141 1.00 0.00 H new ATOM 0 HA ASP A 44 -3.855 18.640 6.356 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -3.963 15.637 5.884 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -4.412 16.383 7.405 1.00 0.00 H new ATOM 667 N LYS A 45 -0.997 18.015 6.322 1.00 0.00 N ATOM 668 CA LYS A 45 0.293 17.903 6.991 1.00 0.00 C ATOM 669 C LYS A 45 0.731 16.445 7.089 1.00 0.00 C ATOM 670 O LYS A 45 1.292 16.023 8.100 1.00 0.00 O ATOM 671 CB LYS A 45 0.221 18.519 8.390 1.00 0.00 C ATOM 672 CG LYS A 45 -0.233 19.969 8.394 1.00 0.00 C ATOM 673 CD LYS A 45 0.803 20.879 7.756 1.00 0.00 C ATOM 674 CE LYS A 45 1.999 21.089 8.672 1.00 0.00 C ATOM 675 NZ LYS A 45 1.772 22.203 9.634 1.00 0.00 N ATOM 0 H LYS A 45 -0.966 18.500 5.425 1.00 0.00 H new ATOM 0 HA LYS A 45 1.029 18.446 6.398 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.463 17.931 9.002 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.203 18.453 8.858 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -1.177 20.057 7.856 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.419 20.290 9.419 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.137 20.447 6.813 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.349 21.842 7.522 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.201 20.170 9.222 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.883 21.302 8.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.610 22.314 10.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 1.604 23.085 9.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 0.943 21.988 10.225 1.00 0.00 H new ATOM 689 N GLN A 46 0.472 15.682 6.032 1.00 0.00 N ATOM 690 CA GLN A 46 0.840 14.272 6.000 1.00 0.00 C ATOM 691 C GLN A 46 1.116 13.814 4.571 1.00 0.00 C ATOM 692 O GLN A 46 0.524 14.324 3.620 1.00 0.00 O ATOM 693 CB GLN A 46 -0.270 13.418 6.616 1.00 0.00 C ATOM 694 CG GLN A 46 -1.393 13.088 5.647 1.00 0.00 C ATOM 695 CD GLN A 46 -2.339 12.034 6.187 1.00 0.00 C ATOM 696 OE1 GLN A 46 -2.081 10.836 6.075 1.00 0.00 O ATOM 697 NE2 GLN A 46 -3.443 12.476 6.778 1.00 0.00 N ATOM 0 H GLN A 46 0.009 16.017 5.187 1.00 0.00 H new ATOM 0 HA GLN A 46 1.751 14.147 6.585 1.00 0.00 H new ATOM 0 HB2 GLN A 46 0.162 12.489 6.988 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -0.686 13.943 7.476 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -1.955 13.995 5.425 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -0.966 12.740 4.707 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -3.617 13.479 6.849 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -4.117 11.813 7.161 1.00 0.00 H new ATOM 706 N VAL A 47 2.018 12.848 4.428 1.00 0.00 N ATOM 707 CA VAL A 47 2.372 12.321 3.116 1.00 0.00 C ATOM 708 C VAL A 47 1.675 10.991 2.852 1.00 0.00 C ATOM 709 O VAL A 47 1.923 9.999 3.538 1.00 0.00 O ATOM 710 CB VAL A 47 3.894 12.125 2.981 1.00 0.00 C ATOM 711 CG1 VAL A 47 4.257 11.726 1.559 1.00 0.00 C ATOM 712 CG2 VAL A 47 4.632 13.390 3.394 1.00 0.00 C ATOM 0 H VAL A 47 2.517 12.415 5.205 1.00 0.00 H new ATOM 0 HA VAL A 47 2.041 13.055 2.381 1.00 0.00 H new ATOM 0 HB VAL A 47 4.200 11.319 3.648 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.336 11.592 1.483 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.756 10.792 1.304 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.939 12.508 0.869 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.706 13.234 3.293 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.323 14.217 2.754 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.396 13.627 4.432 1.00 0.00 H new ATOM 722 N LYS A 48 0.800 10.976 1.852 1.00 0.00 N ATOM 723 CA LYS A 48 0.066 9.768 1.494 1.00 0.00 C ATOM 724 C LYS A 48 0.600 9.172 0.195 1.00 0.00 C ATOM 725 O LYS A 48 1.442 9.771 -0.474 1.00 0.00 O ATOM 726 CB LYS A 48 -1.426 10.076 1.351 1.00 0.00 C ATOM 727 CG LYS A 48 -2.119 10.354 2.674 1.00 0.00 C ATOM 728 CD LYS A 48 -3.577 9.929 2.639 1.00 0.00 C ATOM 729 CE LYS A 48 -4.478 11.063 2.176 1.00 0.00 C ATOM 730 NZ LYS A 48 -4.480 11.200 0.694 1.00 0.00 N ATOM 0 H LYS A 48 0.582 11.788 1.274 1.00 0.00 H new ATOM 0 HA LYS A 48 0.205 9.039 2.292 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.549 10.940 0.697 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.917 9.234 0.863 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.603 9.823 3.474 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.054 11.418 2.903 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.692 9.076 1.971 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.885 9.600 3.632 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.495 10.885 2.526 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.145 11.998 2.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.076 12.121 0.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.909 10.439 0.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.456 11.136 0.341 1.00 0.00 H new ATOM 744 N TYR A 49 0.103 7.991 -0.156 1.00 0.00 N ATOM 745 CA TYR A 49 0.531 7.314 -1.375 1.00 0.00 C ATOM 746 C TYR A 49 -0.579 6.421 -1.920 1.00 0.00 C ATOM 747 O TYR A 49 -1.115 5.571 -1.208 1.00 0.00 O ATOM 748 CB TYR A 49 1.786 6.481 -1.107 1.00 0.00 C ATOM 749 CG TYR A 49 2.832 7.208 -0.293 1.00 0.00 C ATOM 750 CD1 TYR A 49 2.592 7.558 1.030 1.00 0.00 C ATOM 751 CD2 TYR A 49 4.062 7.543 -0.846 1.00 0.00 C ATOM 752 CE1 TYR A 49 3.545 8.223 1.777 1.00 0.00 C ATOM 753 CE2 TYR A 49 5.022 8.206 -0.106 1.00 0.00 C ATOM 754 CZ TYR A 49 4.759 8.545 1.205 1.00 0.00 C ATOM 755 OH TYR A 49 5.711 9.205 1.946 1.00 0.00 O ATOM 0 H TYR A 49 -0.596 7.483 0.386 1.00 0.00 H new ATOM 0 HA TYR A 49 0.760 8.074 -2.122 1.00 0.00 H new ATOM 0 HB2 TYR A 49 1.501 5.568 -0.585 1.00 0.00 H new ATOM 0 HB3 TYR A 49 2.223 6.180 -2.059 1.00 0.00 H new ATOM 0 HD1 TYR A 49 1.644 7.306 1.482 1.00 0.00 H new ATOM 0 HD2 TYR A 49 4.271 7.280 -1.872 1.00 0.00 H new ATOM 0 HE1 TYR A 49 3.341 8.490 2.804 1.00 0.00 H new ATOM 0 HE2 TYR A 49 5.973 8.457 -0.552 1.00 0.00 H new ATOM 0 HH TYR A 49 6.482 9.412 1.378 1.00 0.00 H new ATOM 765 N PHE A 50 -0.919 6.619 -3.189 1.00 0.00 N ATOM 766 CA PHE A 50 -1.965 5.833 -3.832 1.00 0.00 C ATOM 767 C PHE A 50 -1.507 4.394 -4.052 1.00 0.00 C ATOM 768 O PHE A 50 -0.764 4.105 -4.991 1.00 0.00 O ATOM 769 CB PHE A 50 -2.359 6.465 -5.169 1.00 0.00 C ATOM 770 CG PHE A 50 -3.564 5.828 -5.801 1.00 0.00 C ATOM 771 CD1 PHE A 50 -4.666 5.485 -5.034 1.00 0.00 C ATOM 772 CD2 PHE A 50 -3.594 5.572 -7.163 1.00 0.00 C ATOM 773 CE1 PHE A 50 -5.775 4.898 -5.614 1.00 0.00 C ATOM 774 CE2 PHE A 50 -4.700 4.985 -7.748 1.00 0.00 C ATOM 775 CZ PHE A 50 -5.793 4.649 -6.972 1.00 0.00 C ATOM 0 H PHE A 50 -0.485 7.317 -3.793 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.833 5.823 -3.173 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.557 7.526 -5.016 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.517 6.394 -5.858 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -4.658 5.678 -3.971 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.743 5.834 -7.774 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -6.627 4.634 -5.005 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -4.710 4.789 -8.810 1.00 0.00 H new ATOM 0 HZ PHE A 50 -6.660 4.193 -7.427 1.00 0.00 H new ATOM 785 N ILE A 51 -1.955 3.497 -3.181 1.00 0.00 N ATOM 786 CA ILE A 51 -1.592 2.089 -3.280 1.00 0.00 C ATOM 787 C ILE A 51 -2.480 1.361 -4.283 1.00 0.00 C ATOM 788 O ILE A 51 -3.620 1.760 -4.522 1.00 0.00 O ATOM 789 CB ILE A 51 -1.694 1.384 -1.914 1.00 0.00 C ATOM 790 CG1 ILE A 51 -0.766 2.054 -0.899 1.00 0.00 C ATOM 791 CG2 ILE A 51 -1.357 -0.093 -2.054 1.00 0.00 C ATOM 792 CD1 ILE A 51 0.699 1.953 -1.260 1.00 0.00 C ATOM 0 H ILE A 51 -2.570 3.720 -2.399 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.558 2.053 -3.622 1.00 0.00 H new ATOM 0 HB ILE A 51 -2.719 1.470 -1.553 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -1.038 3.106 -0.809 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.923 1.600 0.079 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.433 -0.577 -1.081 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.055 -0.561 -2.748 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.341 -0.200 -2.434 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.297 2.450 -0.496 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.987 0.904 -1.321 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.870 2.433 -2.224 1.00 0.00 H new ATOM 804 N HIS A 52 -1.950 0.290 -4.866 1.00 0.00 N ATOM 805 CA HIS A 52 -2.696 -0.496 -5.843 1.00 0.00 C ATOM 806 C HIS A 52 -2.616 -1.984 -5.517 1.00 0.00 C ATOM 807 O HIS A 52 -1.684 -2.672 -5.936 1.00 0.00 O ATOM 808 CB HIS A 52 -2.160 -0.240 -7.251 1.00 0.00 C ATOM 809 CG HIS A 52 -2.711 -1.177 -8.281 1.00 0.00 C ATOM 810 ND1 HIS A 52 -3.995 -1.084 -8.774 1.00 0.00 N ATOM 811 CD2 HIS A 52 -2.143 -2.231 -8.913 1.00 0.00 C ATOM 812 CE1 HIS A 52 -4.194 -2.040 -9.663 1.00 0.00 C ATOM 813 NE2 HIS A 52 -3.085 -2.750 -9.767 1.00 0.00 N ATOM 0 H HIS A 52 -1.008 -0.053 -4.679 1.00 0.00 H new ATOM 0 HA HIS A 52 -3.741 -0.188 -5.800 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -2.396 0.784 -7.540 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -1.073 -0.325 -7.238 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -1.136 -2.596 -8.772 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -5.108 -2.212 -10.212 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -2.950 -3.553 -10.381 1.00 0.00 H new ATOM 822 N TYR A 53 -3.597 -2.475 -4.768 1.00 0.00 N ATOM 823 CA TYR A 53 -3.635 -3.881 -4.384 1.00 0.00 C ATOM 824 C TYR A 53 -3.587 -4.783 -5.613 1.00 0.00 C ATOM 825 O TYR A 53 -4.516 -4.799 -6.422 1.00 0.00 O ATOM 826 CB TYR A 53 -4.896 -4.175 -3.570 1.00 0.00 C ATOM 827 CG TYR A 53 -4.822 -3.689 -2.140 1.00 0.00 C ATOM 828 CD1 TYR A 53 -4.797 -2.332 -1.847 1.00 0.00 C ATOM 829 CD2 TYR A 53 -4.776 -4.589 -1.082 1.00 0.00 C ATOM 830 CE1 TYR A 53 -4.728 -1.884 -0.542 1.00 0.00 C ATOM 831 CE2 TYR A 53 -4.708 -4.150 0.226 1.00 0.00 C ATOM 832 CZ TYR A 53 -4.684 -2.797 0.491 1.00 0.00 C ATOM 833 OH TYR A 53 -4.617 -2.355 1.792 1.00 0.00 O ATOM 0 H TYR A 53 -4.377 -1.920 -4.415 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.758 -4.088 -3.770 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -5.751 -3.708 -4.059 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -5.076 -5.250 -3.570 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.832 -1.614 -2.653 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -4.794 -5.649 -1.286 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -4.709 -0.825 -0.332 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -4.674 -4.863 1.037 1.00 0.00 H new ATOM 0 HH TYR A 53 -3.903 -1.689 1.875 1.00 0.00 H new ATOM 843 N SER A 54 -2.498 -5.533 -5.747 1.00 0.00 N ATOM 844 CA SER A 54 -2.326 -6.437 -6.879 1.00 0.00 C ATOM 845 C SER A 54 -3.329 -7.585 -6.815 1.00 0.00 C ATOM 846 O SER A 54 -3.495 -8.221 -5.775 1.00 0.00 O ATOM 847 CB SER A 54 -0.901 -6.990 -6.905 1.00 0.00 C ATOM 848 OG SER A 54 -0.532 -7.390 -8.213 1.00 0.00 O ATOM 0 H SER A 54 -1.721 -5.533 -5.086 1.00 0.00 H new ATOM 0 HA SER A 54 -2.505 -5.872 -7.794 1.00 0.00 H new ATOM 0 HB2 SER A 54 -0.207 -6.231 -6.544 1.00 0.00 H new ATOM 0 HB3 SER A 54 -0.825 -7.840 -6.227 1.00 0.00 H new ATOM 0 HG SER A 54 0.384 -7.738 -8.202 1.00 0.00 H new ATOM 971 N GLU A 62 -7.150 2.596 -2.400 1.00 0.00 N ATOM 972 CA GLU A 62 -7.282 3.623 -1.373 1.00 0.00 C ATOM 973 C GLU A 62 -5.935 4.281 -1.085 1.00 0.00 C ATOM 974 O GLU A 62 -4.881 3.711 -1.367 1.00 0.00 O ATOM 975 CB GLU A 62 -7.852 3.019 -0.088 1.00 0.00 C ATOM 976 CG GLU A 62 -7.209 1.700 0.303 1.00 0.00 C ATOM 977 CD GLU A 62 -8.012 0.944 1.343 1.00 0.00 C ATOM 978 OE1 GLU A 62 -8.983 0.259 0.959 1.00 0.00 O ATOM 979 OE2 GLU A 62 -7.671 1.038 2.541 1.00 0.00 O ATOM 0 HA GLU A 62 -7.967 4.385 -1.743 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.723 3.732 0.727 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.924 2.868 -0.212 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.096 1.078 -0.585 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.208 1.889 0.690 1.00 0.00 H new ATOM 986 N TRP A 63 -5.980 5.483 -0.522 1.00 0.00 N ATOM 987 CA TRP A 63 -4.764 6.219 -0.196 1.00 0.00 C ATOM 988 C TRP A 63 -4.273 5.868 1.204 1.00 0.00 C ATOM 989 O TRP A 63 -5.068 5.732 2.135 1.00 0.00 O ATOM 990 CB TRP A 63 -5.011 7.725 -0.300 1.00 0.00 C ATOM 991 CG TRP A 63 -5.025 8.228 -1.712 1.00 0.00 C ATOM 992 CD1 TRP A 63 -6.097 8.270 -2.557 1.00 0.00 C ATOM 993 CD2 TRP A 63 -3.914 8.760 -2.443 1.00 0.00 C ATOM 994 NE1 TRP A 63 -5.720 8.796 -3.769 1.00 0.00 N ATOM 995 CE2 TRP A 63 -4.386 9.105 -3.724 1.00 0.00 C ATOM 996 CE3 TRP A 63 -2.568 8.980 -2.139 1.00 0.00 C ATOM 997 CZ2 TRP A 63 -3.558 9.655 -4.699 1.00 0.00 C ATOM 998 CZ3 TRP A 63 -1.747 9.526 -3.107 1.00 0.00 C ATOM 999 CH2 TRP A 63 -2.244 9.860 -4.374 1.00 0.00 C ATOM 0 H TRP A 63 -6.844 5.968 -0.282 1.00 0.00 H new ATOM 0 HA TRP A 63 -3.994 5.934 -0.913 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -5.964 7.963 0.173 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -4.238 8.252 0.258 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -7.094 7.938 -2.309 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -6.334 8.934 -4.572 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -2.176 8.728 -1.165 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -3.939 9.911 -5.677 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -0.705 9.698 -2.883 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -1.577 10.287 -5.108 1.00 0.00 H new ATOM 1010 N VAL A 64 -2.960 5.722 1.348 1.00 0.00 N ATOM 1011 CA VAL A 64 -2.364 5.388 2.636 1.00 0.00 C ATOM 1012 C VAL A 64 -1.214 6.331 2.970 1.00 0.00 C ATOM 1013 O VAL A 64 -0.532 6.855 2.089 1.00 0.00 O ATOM 1014 CB VAL A 64 -1.846 3.937 2.655 1.00 0.00 C ATOM 1015 CG1 VAL A 64 -2.878 2.994 2.056 1.00 0.00 C ATOM 1016 CG2 VAL A 64 -0.523 3.834 1.911 1.00 0.00 C ATOM 0 H VAL A 64 -2.288 5.830 0.588 1.00 0.00 H new ATOM 0 HA VAL A 64 -3.148 5.496 3.386 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.678 3.643 3.691 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -2.495 1.974 2.078 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.800 3.048 2.635 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -3.080 3.284 1.025 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.172 2.802 1.934 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.662 4.147 0.876 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.214 4.479 2.389 1.00 0.00 H new ATOM 1026 N PRO A 65 -0.990 6.552 4.274 1.00 0.00 N ATOM 1027 CA PRO A 65 0.079 7.432 4.756 1.00 0.00 C ATOM 1028 C PRO A 65 1.465 6.844 4.518 1.00 0.00 C ATOM 1029 O PRO A 65 1.611 5.834 3.830 1.00 0.00 O ATOM 1030 CB PRO A 65 -0.204 7.545 6.256 1.00 0.00 C ATOM 1031 CG PRO A 65 -0.949 6.300 6.596 1.00 0.00 C ATOM 1032 CD PRO A 65 -1.764 5.960 5.379 1.00 0.00 C ATOM 0 HA PRO A 65 0.084 8.390 4.236 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.720 7.622 6.829 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.794 8.433 6.482 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.263 5.490 6.845 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.590 6.453 7.464 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -1.876 4.883 5.259 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -2.768 6.381 5.437 1.00 0.00 H new ATOM 1040 N GLU A 66 2.480 7.483 5.091 1.00 0.00 N ATOM 1041 CA GLU A 66 3.855 7.021 4.940 1.00 0.00 C ATOM 1042 C GLU A 66 4.207 5.998 6.016 1.00 0.00 C ATOM 1043 O GLU A 66 5.302 5.436 6.018 1.00 0.00 O ATOM 1044 CB GLU A 66 4.824 8.204 5.009 1.00 0.00 C ATOM 1045 CG GLU A 66 6.234 7.863 4.558 1.00 0.00 C ATOM 1046 CD GLU A 66 7.192 9.028 4.707 1.00 0.00 C ATOM 1047 OE1 GLU A 66 7.137 9.952 3.868 1.00 0.00 O ATOM 1048 OE2 GLU A 66 7.997 9.018 5.662 1.00 0.00 O ATOM 0 H GLU A 66 2.376 8.321 5.663 1.00 0.00 H new ATOM 0 HA GLU A 66 3.945 6.542 3.965 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.439 9.014 4.390 1.00 0.00 H new ATOM 0 HB3 GLU A 66 4.859 8.575 6.033 1.00 0.00 H new ATOM 0 HG2 GLU A 66 6.603 7.018 5.139 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.211 7.547 3.515 1.00 0.00 H new ATOM 1055 N SER A 67 3.271 5.762 6.929 1.00 0.00 N ATOM 1056 CA SER A 67 3.483 4.811 8.014 1.00 0.00 C ATOM 1057 C SER A 67 2.816 3.474 7.701 1.00 0.00 C ATOM 1058 O SER A 67 3.179 2.441 8.263 1.00 0.00 O ATOM 1059 CB SER A 67 2.936 5.372 9.327 1.00 0.00 C ATOM 1060 OG SER A 67 3.449 6.668 9.582 1.00 0.00 O ATOM 0 H SER A 67 2.358 6.216 6.939 1.00 0.00 H new ATOM 0 HA SER A 67 4.556 4.648 8.117 1.00 0.00 H new ATOM 0 HB2 SER A 67 1.848 5.411 9.284 1.00 0.00 H new ATOM 0 HB3 SER A 67 3.199 4.705 10.148 1.00 0.00 H new ATOM 0 HG SER A 67 3.082 7.005 10.426 1.00 0.00 H new ATOM 1066 N ARG A 68 1.838 3.504 6.802 1.00 0.00 N ATOM 1067 CA ARG A 68 1.118 2.297 6.415 1.00 0.00 C ATOM 1068 C ARG A 68 1.866 1.547 5.316 1.00 0.00 C ATOM 1069 O ARG A 68 1.598 0.374 5.057 1.00 0.00 O ATOM 1070 CB ARG A 68 -0.292 2.648 5.939 1.00 0.00 C ATOM 1071 CG ARG A 68 -1.290 2.827 7.072 1.00 0.00 C ATOM 1072 CD ARG A 68 -2.701 2.468 6.633 1.00 0.00 C ATOM 1073 NE ARG A 68 -3.706 2.940 7.581 1.00 0.00 N ATOM 1074 CZ ARG A 68 -4.987 2.593 7.528 1.00 0.00 C ATOM 1075 NH1 ARG A 68 -5.417 1.774 6.578 1.00 0.00 N ATOM 1076 NH2 ARG A 68 -5.842 3.064 8.428 1.00 0.00 N ATOM 0 H ARG A 68 1.526 4.351 6.328 1.00 0.00 H new ATOM 0 HA ARG A 68 1.047 1.650 7.290 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.251 3.567 5.354 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -0.648 1.862 5.273 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -1.000 2.201 7.916 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -1.267 3.860 7.419 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -2.897 2.901 5.652 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -2.783 1.386 6.526 1.00 0.00 H new ATOM 0 HE ARG A 68 -3.408 3.571 8.325 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.763 1.409 5.885 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.401 1.509 6.540 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -5.515 3.693 9.161 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -6.825 2.797 8.386 1.00 0.00 H new ATOM 1090 N VAL A 69 2.803 2.234 4.670 1.00 0.00 N ATOM 1091 CA VAL A 69 3.590 1.634 3.599 1.00 0.00 C ATOM 1092 C VAL A 69 4.937 1.142 4.116 1.00 0.00 C ATOM 1093 O VAL A 69 5.481 1.685 5.078 1.00 0.00 O ATOM 1094 CB VAL A 69 3.827 2.632 2.450 1.00 0.00 C ATOM 1095 CG1 VAL A 69 4.356 1.913 1.219 1.00 0.00 C ATOM 1096 CG2 VAL A 69 2.546 3.387 2.128 1.00 0.00 C ATOM 0 H VAL A 69 3.036 3.207 4.870 1.00 0.00 H new ATOM 0 HA VAL A 69 3.017 0.787 3.222 1.00 0.00 H new ATOM 0 HB VAL A 69 4.577 3.355 2.769 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.517 2.634 0.418 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.299 1.423 1.461 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.631 1.166 0.894 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.732 4.088 1.314 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.772 2.680 1.829 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.215 3.935 3.010 1.00 0.00 H new ATOM 1106 N LEU A 70 5.470 0.110 3.472 1.00 0.00 N ATOM 1107 CA LEU A 70 6.755 -0.457 3.865 1.00 0.00 C ATOM 1108 C LEU A 70 7.757 -0.383 2.718 1.00 0.00 C ATOM 1109 O LEU A 70 7.391 -0.105 1.576 1.00 0.00 O ATOM 1110 CB LEU A 70 6.579 -1.909 4.311 1.00 0.00 C ATOM 1111 CG LEU A 70 5.541 -2.154 5.407 1.00 0.00 C ATOM 1112 CD1 LEU A 70 5.294 -3.644 5.585 1.00 0.00 C ATOM 1113 CD2 LEU A 70 5.992 -1.526 6.718 1.00 0.00 C ATOM 0 H LEU A 70 5.032 -0.352 2.675 1.00 0.00 H new ATOM 0 HA LEU A 70 7.142 0.128 4.699 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.306 -2.505 3.440 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.542 -2.280 4.661 1.00 0.00 H new ATOM 0 HG LEU A 70 4.604 -1.685 5.105 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.553 -3.799 6.369 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.927 -4.066 4.650 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.225 -4.136 5.864 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.241 -1.710 7.487 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.941 -1.966 7.025 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.117 -0.452 6.583 1.00 0.00 H new ATOM 1125 N LYS A 71 9.024 -0.636 3.028 1.00 0.00 N ATOM 1126 CA LYS A 71 10.080 -0.602 2.024 1.00 0.00 C ATOM 1127 C LYS A 71 10.165 -1.930 1.279 1.00 0.00 C ATOM 1128 O LYS A 71 11.079 -2.150 0.483 1.00 0.00 O ATOM 1129 CB LYS A 71 11.426 -0.286 2.679 1.00 0.00 C ATOM 1130 CG LYS A 71 11.530 1.137 3.201 1.00 0.00 C ATOM 1131 CD LYS A 71 10.677 1.338 4.443 1.00 0.00 C ATOM 1132 CE LYS A 71 10.981 2.667 5.118 1.00 0.00 C ATOM 1133 NZ LYS A 71 9.966 3.008 6.153 1.00 0.00 N ATOM 0 H LYS A 71 9.344 -0.867 3.968 1.00 0.00 H new ATOM 0 HA LYS A 71 9.839 0.183 1.307 1.00 0.00 H new ATOM 0 HB2 LYS A 71 11.591 -0.979 3.504 1.00 0.00 H new ATOM 0 HB3 LYS A 71 12.222 -0.457 1.955 1.00 0.00 H new ATOM 0 HG2 LYS A 71 12.570 1.366 3.432 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.215 1.834 2.425 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.622 1.299 4.171 1.00 0.00 H new ATOM 0 HD3 LYS A 71 10.856 0.523 5.144 1.00 0.00 H new ATOM 0 HE2 LYS A 71 11.968 2.623 5.578 1.00 0.00 H new ATOM 0 HE3 LYS A 71 11.014 3.457 4.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 10.208 3.920 6.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 9.027 3.075 5.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.952 2.267 6.883 1.00 0.00 H new ATOM 1147 N TYR A 72 9.207 -2.812 1.540 1.00 0.00 N ATOM 1148 CA TYR A 72 9.174 -4.119 0.895 1.00 0.00 C ATOM 1149 C TYR A 72 10.555 -4.769 0.911 1.00 0.00 C ATOM 1150 O TYR A 72 11.039 -5.251 -0.113 1.00 0.00 O ATOM 1151 CB TYR A 72 8.677 -3.988 -0.546 1.00 0.00 C ATOM 1152 CG TYR A 72 7.918 -5.200 -1.037 1.00 0.00 C ATOM 1153 CD1 TYR A 72 8.589 -6.343 -1.453 1.00 0.00 C ATOM 1154 CD2 TYR A 72 6.529 -5.202 -1.086 1.00 0.00 C ATOM 1155 CE1 TYR A 72 7.900 -7.453 -1.903 1.00 0.00 C ATOM 1156 CE2 TYR A 72 5.832 -6.307 -1.533 1.00 0.00 C ATOM 1157 CZ TYR A 72 6.522 -7.430 -1.941 1.00 0.00 C ATOM 1158 OH TYR A 72 5.830 -8.532 -2.389 1.00 0.00 O ATOM 0 H TYR A 72 8.442 -2.645 2.194 1.00 0.00 H new ATOM 0 HA TYR A 72 8.486 -4.754 1.453 1.00 0.00 H new ATOM 0 HB2 TYR A 72 8.033 -3.112 -0.621 1.00 0.00 H new ATOM 0 HB3 TYR A 72 9.530 -3.814 -1.201 1.00 0.00 H new ATOM 0 HD1 TYR A 72 9.668 -6.364 -1.424 1.00 0.00 H new ATOM 0 HD2 TYR A 72 5.985 -4.324 -0.769 1.00 0.00 H new ATOM 0 HE1 TYR A 72 8.438 -8.333 -2.223 1.00 0.00 H new ATOM 0 HE2 TYR A 72 4.753 -6.292 -1.563 1.00 0.00 H new ATOM 0 HH TYR A 72 4.960 -8.576 -1.940 1.00 0.00 H new ATOM 1168 N VAL A 73 11.183 -4.780 2.082 1.00 0.00 N ATOM 1169 CA VAL A 73 12.507 -5.372 2.234 1.00 0.00 C ATOM 1170 C VAL A 73 12.446 -6.647 3.069 1.00 0.00 C ATOM 1171 O VAL A 73 11.457 -6.905 3.756 1.00 0.00 O ATOM 1172 CB VAL A 73 13.490 -4.387 2.893 1.00 0.00 C ATOM 1173 CG1 VAL A 73 13.763 -3.208 1.971 1.00 0.00 C ATOM 1174 CG2 VAL A 73 12.950 -3.911 4.233 1.00 0.00 C ATOM 0 H VAL A 73 10.796 -4.386 2.940 1.00 0.00 H new ATOM 0 HA VAL A 73 12.863 -5.613 1.232 1.00 0.00 H new ATOM 0 HB VAL A 73 14.432 -4.906 3.070 1.00 0.00 H new ATOM 0 HG11 VAL A 73 14.460 -2.522 2.453 1.00 0.00 H new ATOM 0 HG12 VAL A 73 14.196 -3.568 1.038 1.00 0.00 H new ATOM 0 HG13 VAL A 73 12.829 -2.687 1.760 1.00 0.00 H new ATOM 0 HG21 VAL A 73 13.658 -3.216 4.684 1.00 0.00 H new ATOM 0 HG22 VAL A 73 11.994 -3.409 4.083 1.00 0.00 H new ATOM 0 HG23 VAL A 73 12.811 -4.767 4.894 1.00 0.00 H new ATOM 1184 N ASP A 74 13.510 -7.440 3.005 1.00 0.00 N ATOM 1185 CA ASP A 74 13.579 -8.688 3.757 1.00 0.00 C ATOM 1186 C ASP A 74 12.857 -8.558 5.094 1.00 0.00 C ATOM 1187 O ASP A 74 11.952 -9.334 5.403 1.00 0.00 O ATOM 1188 CB ASP A 74 15.037 -9.089 3.987 1.00 0.00 C ATOM 1189 CG ASP A 74 15.936 -8.691 2.833 1.00 0.00 C ATOM 1190 OD1 ASP A 74 15.755 -9.238 1.725 1.00 0.00 O ATOM 1191 OD2 ASP A 74 16.821 -7.834 3.038 1.00 0.00 O ATOM 0 H ASP A 74 14.336 -7.241 2.441 1.00 0.00 H new ATOM 0 HA ASP A 74 13.085 -9.464 3.172 1.00 0.00 H new ATOM 0 HB2 ASP A 74 15.399 -8.622 4.903 1.00 0.00 H new ATOM 0 HB3 ASP A 74 15.095 -10.167 4.134 1.00 0.00 H new ATOM 1196 N THR A 75 13.264 -7.571 5.887 1.00 0.00 N ATOM 1197 CA THR A 75 12.658 -7.340 7.192 1.00 0.00 C ATOM 1198 C THR A 75 11.139 -7.264 7.088 1.00 0.00 C ATOM 1199 O THR A 75 10.426 -8.072 7.680 1.00 0.00 O ATOM 1200 CB THR A 75 13.183 -6.041 7.833 1.00 0.00 C ATOM 1201 OG1 THR A 75 14.615 -6.042 7.840 1.00 0.00 O ATOM 1202 CG2 THR A 75 12.664 -5.892 9.256 1.00 0.00 C ATOM 0 H THR A 75 14.011 -6.919 5.648 1.00 0.00 H new ATOM 0 HA THR A 75 12.934 -8.185 7.822 1.00 0.00 H new ATOM 0 HB THR A 75 12.824 -5.199 7.242 1.00 0.00 H new ATOM 0 HG1 THR A 75 14.941 -5.212 8.247 1.00 0.00 H new ATOM 0 HG21 THR A 75 13.048 -4.968 9.688 1.00 0.00 H new ATOM 0 HG22 THR A 75 11.574 -5.862 9.245 1.00 0.00 H new ATOM 0 HG23 THR A 75 12.998 -6.739 9.856 1.00 0.00 H new ATOM 1210 N ASN A 76 10.651 -6.287 6.330 1.00 0.00 N ATOM 1211 CA ASN A 76 9.215 -6.106 6.148 1.00 0.00 C ATOM 1212 C ASN A 76 8.557 -7.404 5.690 1.00 0.00 C ATOM 1213 O ASN A 76 7.444 -7.728 6.105 1.00 0.00 O ATOM 1214 CB ASN A 76 8.945 -4.997 5.129 1.00 0.00 C ATOM 1215 CG ASN A 76 9.152 -3.612 5.714 1.00 0.00 C ATOM 1216 OD1 ASN A 76 8.727 -3.329 6.834 1.00 0.00 O ATOM 1217 ND2 ASN A 76 9.807 -2.742 4.955 1.00 0.00 N ATOM 0 H ASN A 76 11.228 -5.609 5.832 1.00 0.00 H new ATOM 0 HA ASN A 76 8.785 -5.821 7.108 1.00 0.00 H new ATOM 0 HB2 ASN A 76 9.603 -5.128 4.270 1.00 0.00 H new ATOM 0 HB3 ASN A 76 7.922 -5.085 4.763 1.00 0.00 H new ATOM 0 HD21 ASN A 76 9.976 -1.795 5.294 1.00 0.00 H new ATOM 0 HD22 ASN A 76 10.141 -3.020 4.032 1.00 0.00 H new ATOM 1224 N LEU A 77 9.252 -8.142 4.832 1.00 0.00 N ATOM 1225 CA LEU A 77 8.737 -9.406 4.318 1.00 0.00 C ATOM 1226 C LEU A 77 8.511 -10.404 5.449 1.00 0.00 C ATOM 1227 O LEU A 77 7.470 -11.056 5.515 1.00 0.00 O ATOM 1228 CB LEU A 77 9.705 -9.994 3.290 1.00 0.00 C ATOM 1229 CG LEU A 77 9.801 -9.251 1.957 1.00 0.00 C ATOM 1230 CD1 LEU A 77 10.923 -9.825 1.105 1.00 0.00 C ATOM 1231 CD2 LEU A 77 8.476 -9.318 1.212 1.00 0.00 C ATOM 0 H LEU A 77 10.174 -7.887 4.477 1.00 0.00 H new ATOM 0 HA LEU A 77 7.779 -9.209 3.836 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.699 -10.030 3.736 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.409 -11.023 3.089 1.00 0.00 H new ATOM 0 HG LEU A 77 10.027 -8.205 2.162 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.976 -9.284 0.160 1.00 0.00 H new ATOM 0 HD12 LEU A 77 11.870 -9.724 1.635 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.728 -10.879 0.909 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.563 -8.784 0.266 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.220 -10.360 1.018 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.695 -8.859 1.817 1.00 0.00 H new ATOM 1243 N GLN A 78 9.493 -10.514 6.338 1.00 0.00 N ATOM 1244 CA GLN A 78 9.400 -11.431 7.468 1.00 0.00 C ATOM 1245 C GLN A 78 8.078 -11.252 8.207 1.00 0.00 C ATOM 1246 O GLN A 78 7.638 -12.140 8.938 1.00 0.00 O ATOM 1247 CB GLN A 78 10.569 -11.209 8.430 1.00 0.00 C ATOM 1248 CG GLN A 78 11.919 -11.121 7.736 1.00 0.00 C ATOM 1249 CD GLN A 78 13.055 -11.622 8.605 1.00 0.00 C ATOM 1250 OE1 GLN A 78 13.145 -11.285 9.786 1.00 0.00 O ATOM 1251 NE2 GLN A 78 13.931 -12.434 8.024 1.00 0.00 N ATOM 0 H GLN A 78 10.361 -9.980 6.298 1.00 0.00 H new ATOM 0 HA GLN A 78 9.445 -12.449 7.081 1.00 0.00 H new ATOM 0 HB2 GLN A 78 10.398 -10.290 8.991 1.00 0.00 H new ATOM 0 HB3 GLN A 78 10.594 -12.024 9.153 1.00 0.00 H new ATOM 0 HG2 GLN A 78 11.888 -11.702 6.814 1.00 0.00 H new ATOM 0 HG3 GLN A 78 12.112 -10.086 7.454 1.00 0.00 H new ATOM 0 HE21 GLN A 78 13.818 -12.688 7.042 1.00 0.00 H new ATOM 0 HE22 GLN A 78 14.716 -12.804 8.559 1.00 0.00 H new ATOM 1260 N LYS A 79 7.448 -10.099 8.012 1.00 0.00 N ATOM 1261 CA LYS A 79 6.175 -9.803 8.658 1.00 0.00 C ATOM 1262 C LYS A 79 5.005 -10.180 7.755 1.00 0.00 C ATOM 1263 O LYS A 79 4.229 -11.081 8.074 1.00 0.00 O ATOM 1264 CB LYS A 79 6.096 -8.318 9.019 1.00 0.00 C ATOM 1265 CG LYS A 79 4.716 -7.875 9.474 1.00 0.00 C ATOM 1266 CD LYS A 79 4.681 -6.388 9.783 1.00 0.00 C ATOM 1267 CE LYS A 79 3.622 -6.059 10.825 1.00 0.00 C ATOM 1268 NZ LYS A 79 3.964 -4.832 11.595 1.00 0.00 N ATOM 0 H LYS A 79 7.799 -9.353 7.411 1.00 0.00 H new ATOM 0 HA LYS A 79 6.113 -10.397 9.570 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.815 -8.106 9.810 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.391 -7.726 8.153 1.00 0.00 H new ATOM 0 HG2 LYS A 79 3.985 -8.103 8.698 1.00 0.00 H new ATOM 0 HG3 LYS A 79 4.426 -8.439 10.361 1.00 0.00 H new ATOM 0 HD2 LYS A 79 5.659 -6.067 10.143 1.00 0.00 H new ATOM 0 HD3 LYS A 79 4.479 -5.830 8.869 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.659 -5.922 10.333 1.00 0.00 H new ATOM 0 HE3 LYS A 79 3.514 -6.899 11.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 3.186 -4.146 11.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 4.112 -5.079 12.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 4.834 -4.412 11.210 1.00 0.00 H new ATOM 1282 N GLN A 80 4.886 -9.487 6.627 1.00 0.00 N ATOM 1283 CA GLN A 80 3.811 -9.751 5.678 1.00 0.00 C ATOM 1284 C GLN A 80 3.499 -11.243 5.611 1.00 0.00 C ATOM 1285 O GLN A 80 2.352 -11.638 5.399 1.00 0.00 O ATOM 1286 CB GLN A 80 4.190 -9.235 4.289 1.00 0.00 C ATOM 1287 CG GLN A 80 3.205 -9.633 3.202 1.00 0.00 C ATOM 1288 CD GLN A 80 3.774 -9.461 1.807 1.00 0.00 C ATOM 1289 OE1 GLN A 80 4.976 -9.260 1.635 1.00 0.00 O ATOM 1290 NE2 GLN A 80 2.910 -9.538 0.802 1.00 0.00 N ATOM 0 H GLN A 80 5.521 -8.739 6.348 1.00 0.00 H new ATOM 0 HA GLN A 80 2.920 -9.226 6.022 1.00 0.00 H new ATOM 0 HB2 GLN A 80 4.262 -8.148 4.322 1.00 0.00 H new ATOM 0 HB3 GLN A 80 5.179 -9.612 4.028 1.00 0.00 H new ATOM 0 HG2 GLN A 80 2.913 -10.673 3.345 1.00 0.00 H new ATOM 0 HG3 GLN A 80 2.301 -9.032 3.298 1.00 0.00 H new ATOM 0 HE21 GLN A 80 1.922 -9.706 0.991 1.00 0.00 H new ATOM 0 HE22 GLN A 80 3.234 -9.429 -0.159 1.00 0.00 H new ATOM 1299 N ARG A 81 4.526 -12.066 5.792 1.00 0.00 N ATOM 1300 CA ARG A 81 4.361 -13.514 5.751 1.00 0.00 C ATOM 1301 C ARG A 81 3.823 -14.039 7.079 1.00 0.00 C ATOM 1302 O ARG A 81 2.938 -14.893 7.106 1.00 0.00 O ATOM 1303 CB ARG A 81 5.693 -14.192 5.425 1.00 0.00 C ATOM 1304 CG ARG A 81 6.740 -14.033 6.516 1.00 0.00 C ATOM 1305 CD ARG A 81 8.055 -14.688 6.125 1.00 0.00 C ATOM 1306 NE ARG A 81 8.625 -14.095 4.919 1.00 0.00 N ATOM 1307 CZ ARG A 81 9.657 -14.613 4.262 1.00 0.00 C ATOM 1308 NH1 ARG A 81 10.229 -15.728 4.693 1.00 0.00 N ATOM 1309 NH2 ARG A 81 10.119 -14.014 3.171 1.00 0.00 N ATOM 0 H ARG A 81 5.481 -11.755 5.968 1.00 0.00 H new ATOM 0 HA ARG A 81 3.640 -13.749 4.968 1.00 0.00 H new ATOM 0 HB2 ARG A 81 5.518 -15.254 5.253 1.00 0.00 H new ATOM 0 HB3 ARG A 81 6.084 -13.779 4.495 1.00 0.00 H new ATOM 0 HG2 ARG A 81 6.904 -12.974 6.713 1.00 0.00 H new ATOM 0 HG3 ARG A 81 6.373 -14.476 7.442 1.00 0.00 H new ATOM 0 HD2 ARG A 81 8.765 -14.593 6.946 1.00 0.00 H new ATOM 0 HD3 ARG A 81 7.895 -15.754 5.964 1.00 0.00 H new ATOM 0 HE ARG A 81 8.208 -13.236 4.561 1.00 0.00 H new ATOM 0 HH11 ARG A 81 9.877 -16.191 5.531 1.00 0.00 H new ATOM 0 HH12 ARG A 81 11.021 -16.123 4.187 1.00 0.00 H new ATOM 0 HH21 ARG A 81 9.682 -13.155 2.837 1.00 0.00 H new ATOM 0 HH22 ARG A 81 10.911 -14.412 2.667 1.00 0.00 H new ATOM 1323 N GLU A 82 4.365 -13.521 8.177 1.00 0.00 N ATOM 1324 CA GLU A 82 3.939 -13.938 9.507 1.00 0.00 C ATOM 1325 C GLU A 82 2.441 -13.718 9.694 1.00 0.00 C ATOM 1326 O GLU A 82 1.759 -14.518 10.337 1.00 0.00 O ATOM 1327 CB GLU A 82 4.715 -13.171 10.580 1.00 0.00 C ATOM 1328 CG GLU A 82 4.023 -11.899 11.039 1.00 0.00 C ATOM 1329 CD GLU A 82 4.946 -10.980 11.816 1.00 0.00 C ATOM 1330 OE1 GLU A 82 6.178 -11.094 11.646 1.00 0.00 O ATOM 1331 OE2 GLU A 82 4.436 -10.147 12.594 1.00 0.00 O ATOM 0 H GLU A 82 5.099 -12.813 8.171 1.00 0.00 H new ATOM 0 HA GLU A 82 4.148 -15.003 9.609 1.00 0.00 H new ATOM 0 HB2 GLU A 82 4.868 -13.822 11.441 1.00 0.00 H new ATOM 0 HB3 GLU A 82 5.702 -12.918 10.192 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.634 -11.368 10.170 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.167 -12.160 11.662 1.00 0.00 H new ATOM 1338 N LEU A 83 1.934 -12.629 9.127 1.00 0.00 N ATOM 1339 CA LEU A 83 0.516 -12.302 9.230 1.00 0.00 C ATOM 1340 C LEU A 83 -0.315 -13.180 8.300 1.00 0.00 C ATOM 1341 O LEU A 83 -1.255 -13.845 8.735 1.00 0.00 O ATOM 1342 CB LEU A 83 0.287 -10.827 8.896 1.00 0.00 C ATOM 1343 CG LEU A 83 1.181 -9.826 9.629 1.00 0.00 C ATOM 1344 CD1 LEU A 83 1.061 -8.445 9.003 1.00 0.00 C ATOM 1345 CD2 LEU A 83 0.825 -9.776 11.108 1.00 0.00 C ATOM 0 H LEU A 83 2.484 -11.957 8.591 1.00 0.00 H new ATOM 0 HA LEU A 83 0.199 -12.490 10.256 1.00 0.00 H new ATOM 0 HB2 LEU A 83 0.428 -10.692 7.824 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.753 -10.583 9.114 1.00 0.00 H new ATOM 0 HG LEU A 83 2.216 -10.156 9.536 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.704 -7.746 9.538 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.366 -8.492 7.958 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.027 -8.106 9.065 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.471 -9.059 11.614 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -0.215 -9.471 11.222 1.00 0.00 H new ATOM 0 HD23 LEU A 83 0.964 -10.763 11.549 1.00 0.00 H new ATOM 1357 N GLN A 84 0.041 -13.180 7.020 1.00 0.00 N ATOM 1358 CA GLN A 84 -0.671 -13.978 6.029 1.00 0.00 C ATOM 1359 C GLN A 84 -0.873 -15.406 6.524 1.00 0.00 C ATOM 1360 O GLN A 84 -1.883 -16.043 6.222 1.00 0.00 O ATOM 1361 CB GLN A 84 0.096 -13.989 4.705 1.00 0.00 C ATOM 1362 CG GLN A 84 0.004 -12.680 3.938 1.00 0.00 C ATOM 1363 CD GLN A 84 0.867 -12.671 2.692 1.00 0.00 C ATOM 1364 OE1 GLN A 84 1.302 -13.721 2.217 1.00 0.00 O ATOM 1365 NE2 GLN A 84 1.121 -11.484 2.155 1.00 0.00 N ATOM 0 H GLN A 84 0.818 -12.636 6.645 1.00 0.00 H new ATOM 0 HA GLN A 84 -1.650 -13.525 5.870 1.00 0.00 H new ATOM 0 HB2 GLN A 84 1.144 -14.211 4.904 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -0.287 -14.795 4.079 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -1.034 -12.500 3.658 1.00 0.00 H new ATOM 0 HG3 GLN A 84 0.305 -11.860 4.590 1.00 0.00 H new ATOM 0 HE21 GLN A 84 0.740 -10.639 2.581 1.00 0.00 H new ATOM 0 HE22 GLN A 84 1.697 -11.417 1.316 1.00 0.00 H new ATOM 1374 N LYS A 85 0.093 -15.905 7.287 1.00 0.00 N ATOM 1375 CA LYS A 85 0.022 -17.258 7.826 1.00 0.00 C ATOM 1376 C LYS A 85 -0.663 -17.265 9.190 1.00 0.00 C ATOM 1377 O LYS A 85 -1.481 -18.137 9.479 1.00 0.00 O ATOM 1378 CB LYS A 85 1.425 -17.856 7.946 1.00 0.00 C ATOM 1379 CG LYS A 85 2.260 -17.234 9.052 1.00 0.00 C ATOM 1380 CD LYS A 85 3.691 -17.745 9.024 1.00 0.00 C ATOM 1381 CE LYS A 85 3.855 -18.991 9.881 1.00 0.00 C ATOM 1382 NZ LYS A 85 4.047 -18.654 11.319 1.00 0.00 N ATOM 0 H LYS A 85 0.936 -15.392 7.546 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.568 -17.865 7.139 1.00 0.00 H new ATOM 0 HB2 LYS A 85 1.340 -18.928 8.126 1.00 0.00 H new ATOM 0 HB3 LYS A 85 1.946 -17.733 6.996 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.258 -16.149 8.945 1.00 0.00 H new ATOM 0 HG3 LYS A 85 1.811 -17.460 10.019 1.00 0.00 H new ATOM 0 HD2 LYS A 85 3.979 -17.968 7.997 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.364 -16.965 9.381 1.00 0.00 H new ATOM 0 HE2 LYS A 85 2.976 -19.626 9.771 1.00 0.00 H new ATOM 0 HE3 LYS A 85 4.710 -19.566 9.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 4.155 -19.530 11.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 4.900 -18.069 11.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 3.220 -18.127 11.665 1.00 0.00 H new