USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 569 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 43 HIS : no HE2:sc= 0.672 K(o=2,f=-3.4!) USER MOD Set 1.2: A 46 GLN : amide:sc= 1.33 K(o=2,f=-3.3!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 154:sc= -0.355 (180deg=-1.94) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -169:sc= 1.21 (180deg=1.13) USER MOD Single : A 25 GLN : amide:sc= 0.217 X(o=0.22,f=-0.035) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 1.23 K(o=1.2,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.434 K(o=-0.43,f=-1.5!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 141:sc= 1.08 (180deg=0.778) USER MOD Single : A 70 SER OG : rot 180:sc= 0.0057 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.0113 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 83:sc= 1.1 USER MOD Single : A 81 SER OG : rot 73:sc= 0.56 USER MOD Single : A 82 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 182 N LYS A 16 -9.759 -0.182 -5.345 1.00 0.00 N ATOM 183 CA LYS A 16 -9.861 0.139 -6.757 1.00 0.00 C ATOM 184 C LYS A 16 -8.664 -0.488 -7.467 1.00 0.00 C ATOM 185 O LYS A 16 -7.636 -0.729 -6.826 1.00 0.00 O ATOM 186 CB LYS A 16 -9.786 1.671 -6.920 1.00 0.00 C ATOM 187 CG LYS A 16 -11.111 2.400 -6.669 1.00 0.00 C ATOM 188 CD LYS A 16 -12.068 2.254 -7.854 1.00 0.00 C ATOM 189 CE LYS A 16 -13.332 3.077 -7.600 1.00 0.00 C ATOM 190 NZ LYS A 16 -14.305 2.940 -8.704 1.00 0.00 N ATOM 0 HA LYS A 16 -10.796 -0.235 -7.173 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.035 2.061 -6.233 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.445 1.901 -7.929 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -11.581 2.002 -5.770 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -10.916 3.457 -6.486 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -11.582 2.590 -8.770 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -12.328 1.205 -7.997 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -13.794 2.756 -6.666 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -13.064 4.127 -7.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -15.148 3.512 -8.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -13.873 3.270 -9.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -14.579 1.942 -8.803 1.00 0.00 H new ATOM 204 N PRO A 17 -8.768 -0.782 -8.773 1.00 0.00 N ATOM 205 CA PRO A 17 -7.657 -1.333 -9.529 1.00 0.00 C ATOM 206 C PRO A 17 -6.626 -0.202 -9.651 1.00 0.00 C ATOM 207 O PRO A 17 -6.967 0.980 -9.547 1.00 0.00 O ATOM 208 CB PRO A 17 -8.240 -1.760 -10.877 1.00 0.00 C ATOM 209 CG PRO A 17 -9.399 -0.786 -11.068 1.00 0.00 C ATOM 210 CD PRO A 17 -9.907 -0.561 -9.642 1.00 0.00 C ATOM 0 HA PRO A 17 -7.168 -2.195 -9.075 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -7.506 -1.678 -11.679 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -8.580 -2.795 -10.861 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -9.070 0.145 -11.530 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -10.174 -1.204 -11.710 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -10.299 0.449 -9.522 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -10.719 -1.248 -9.404 1.00 0.00 H new ATOM 218 N MET A 18 -5.366 -0.563 -9.868 1.00 0.00 N ATOM 219 CA MET A 18 -4.258 0.381 -9.977 1.00 0.00 C ATOM 220 C MET A 18 -3.669 0.269 -11.379 1.00 0.00 C ATOM 221 O MET A 18 -3.447 -0.852 -11.851 1.00 0.00 O ATOM 222 CB MET A 18 -3.197 0.046 -8.913 1.00 0.00 C ATOM 223 CG MET A 18 -3.764 -0.158 -7.496 1.00 0.00 C ATOM 224 SD MET A 18 -4.376 1.304 -6.626 1.00 0.00 S ATOM 225 CE MET A 18 -2.838 1.794 -5.802 1.00 0.00 C ATOM 0 H MET A 18 -5.080 -1.536 -9.975 1.00 0.00 H new ATOM 0 HA MET A 18 -4.602 1.402 -9.810 1.00 0.00 H new ATOM 0 HB2 MET A 18 -2.670 -0.859 -9.215 1.00 0.00 H new ATOM 0 HB3 MET A 18 -2.461 0.849 -8.885 1.00 0.00 H new ATOM 0 HG2 MET A 18 -4.580 -0.878 -7.560 1.00 0.00 H new ATOM 0 HG3 MET A 18 -2.985 -0.613 -6.884 1.00 0.00 H new ATOM 0 HE1 MET A 18 -2.856 2.866 -5.605 1.00 0.00 H new ATOM 0 HE2 MET A 18 -2.742 1.254 -4.860 1.00 0.00 H new ATOM 0 HE3 MET A 18 -1.990 1.557 -6.444 1.00 0.00 H new ATOM 235 N SER A 19 -3.468 1.396 -12.058 1.00 0.00 N ATOM 236 CA SER A 19 -2.897 1.417 -13.399 1.00 0.00 C ATOM 237 C SER A 19 -1.371 1.540 -13.315 1.00 0.00 C ATOM 238 O SER A 19 -0.825 1.797 -12.240 1.00 0.00 O ATOM 239 CB SER A 19 -3.527 2.561 -14.183 1.00 0.00 C ATOM 240 OG SER A 19 -4.921 2.358 -14.357 1.00 0.00 O ATOM 0 H SER A 19 -3.697 2.320 -11.692 1.00 0.00 H new ATOM 0 HA SER A 19 -3.113 0.486 -13.923 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.356 3.502 -13.659 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.045 2.647 -15.157 1.00 0.00 H new ATOM 0 HG SER A 19 -5.300 3.108 -14.862 1.00 0.00 H new ATOM 246 N TYR A 20 -0.681 1.370 -14.442 1.00 0.00 N ATOM 247 CA TYR A 20 0.770 1.445 -14.509 1.00 0.00 C ATOM 248 C TYR A 20 1.317 2.780 -14.009 1.00 0.00 C ATOM 249 O TYR A 20 2.305 2.776 -13.280 1.00 0.00 O ATOM 250 CB TYR A 20 1.226 1.168 -15.942 1.00 0.00 C ATOM 251 CG TYR A 20 2.724 1.215 -16.160 1.00 0.00 C ATOM 252 CD1 TYR A 20 3.544 0.169 -15.694 1.00 0.00 C ATOM 253 CD2 TYR A 20 3.290 2.289 -16.871 1.00 0.00 C ATOM 254 CE1 TYR A 20 4.929 0.193 -15.942 1.00 0.00 C ATOM 255 CE2 TYR A 20 4.675 2.329 -17.111 1.00 0.00 C ATOM 256 CZ TYR A 20 5.495 1.273 -16.658 1.00 0.00 C ATOM 257 OH TYR A 20 6.827 1.305 -16.927 1.00 0.00 O ATOM 0 H TYR A 20 -1.122 1.175 -15.341 1.00 0.00 H new ATOM 0 HA TYR A 20 1.174 0.685 -13.841 1.00 0.00 H new ATOM 0 HB2 TYR A 20 0.862 0.184 -16.239 1.00 0.00 H new ATOM 0 HB3 TYR A 20 0.755 1.895 -16.604 1.00 0.00 H new ATOM 0 HD1 TYR A 20 3.109 -0.653 -15.145 1.00 0.00 H new ATOM 0 HD2 TYR A 20 2.658 3.086 -17.234 1.00 0.00 H new ATOM 0 HE1 TYR A 20 5.557 -0.610 -15.587 1.00 0.00 H new ATOM 0 HE2 TYR A 20 5.110 3.164 -17.640 1.00 0.00 H new ATOM 0 HH TYR A 20 7.040 2.120 -17.428 1.00 0.00 H new ATOM 267 N GLU A 21 0.704 3.919 -14.354 1.00 0.00 N ATOM 268 CA GLU A 21 1.234 5.204 -13.890 1.00 0.00 C ATOM 269 C GLU A 21 1.164 5.297 -12.366 1.00 0.00 C ATOM 270 O GLU A 21 2.060 5.883 -11.763 1.00 0.00 O ATOM 271 CB GLU A 21 0.509 6.397 -14.532 1.00 0.00 C ATOM 272 CG GLU A 21 0.813 6.540 -16.029 1.00 0.00 C ATOM 273 CD GLU A 21 -0.207 7.404 -16.779 1.00 0.00 C ATOM 274 OE1 GLU A 21 -1.254 6.856 -17.201 1.00 0.00 O ATOM 275 OE2 GLU A 21 0.024 8.611 -17.019 1.00 0.00 O ATOM 0 H GLU A 21 -0.133 3.978 -14.934 1.00 0.00 H new ATOM 0 HA GLU A 21 2.277 5.251 -14.202 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.566 6.281 -14.393 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.800 7.313 -14.017 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.805 6.975 -16.150 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.842 5.549 -16.482 1.00 0.00 H new ATOM 282 N GLU A 22 0.138 4.705 -11.748 1.00 0.00 N ATOM 283 CA GLU A 22 -0.049 4.725 -10.301 1.00 0.00 C ATOM 284 C GLU A 22 0.983 3.825 -9.647 1.00 0.00 C ATOM 285 O GLU A 22 1.618 4.201 -8.660 1.00 0.00 O ATOM 286 CB GLU A 22 -1.471 4.265 -9.937 1.00 0.00 C ATOM 287 CG GLU A 22 -2.538 5.193 -10.524 1.00 0.00 C ATOM 288 CD GLU A 22 -2.428 6.593 -9.921 1.00 0.00 C ATOM 289 OE1 GLU A 22 -3.025 6.856 -8.852 1.00 0.00 O ATOM 290 OE2 GLU A 22 -1.706 7.447 -10.476 1.00 0.00 O ATOM 0 H GLU A 22 -0.591 4.194 -12.246 1.00 0.00 H new ATOM 0 HA GLU A 22 0.082 5.744 -9.937 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.630 3.251 -10.304 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.575 4.232 -8.853 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.423 5.248 -11.607 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.530 4.785 -10.329 1.00 0.00 H new ATOM 297 N LYS A 23 1.152 2.616 -10.186 1.00 0.00 N ATOM 298 CA LYS A 23 2.110 1.637 -9.691 1.00 0.00 C ATOM 299 C LYS A 23 3.494 2.273 -9.690 1.00 0.00 C ATOM 300 O LYS A 23 4.211 2.234 -8.693 1.00 0.00 O ATOM 301 CB LYS A 23 2.060 0.425 -10.621 1.00 0.00 C ATOM 302 CG LYS A 23 0.801 -0.402 -10.348 1.00 0.00 C ATOM 303 CD LYS A 23 0.536 -1.364 -11.499 1.00 0.00 C ATOM 304 CE LYS A 23 -0.598 -2.313 -11.101 1.00 0.00 C ATOM 305 NZ LYS A 23 -0.419 -3.651 -11.690 1.00 0.00 N ATOM 0 H LYS A 23 0.617 2.289 -10.991 1.00 0.00 H new ATOM 0 HA LYS A 23 1.876 1.319 -8.675 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.069 0.755 -11.660 1.00 0.00 H new ATOM 0 HB3 LYS A 23 2.947 -0.191 -10.475 1.00 0.00 H new ATOM 0 HG2 LYS A 23 0.920 -0.960 -9.419 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -0.055 0.260 -10.215 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.266 -0.810 -12.398 1.00 0.00 H new ATOM 0 HD3 LYS A 23 1.438 -1.931 -11.732 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.639 -2.396 -10.015 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.552 -1.897 -11.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -1.287 -4.208 -11.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.218 -3.559 -12.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 0.375 -4.133 -11.223 1.00 0.00 H new ATOM 319 N ARG A 24 3.857 2.872 -10.825 1.00 0.00 N ATOM 320 CA ARG A 24 5.131 3.537 -10.995 1.00 0.00 C ATOM 321 C ARG A 24 5.222 4.687 -10.004 1.00 0.00 C ATOM 322 O ARG A 24 6.197 4.720 -9.268 1.00 0.00 O ATOM 323 CB ARG A 24 5.309 3.979 -12.454 1.00 0.00 C ATOM 324 CG ARG A 24 5.463 2.775 -13.406 1.00 0.00 C ATOM 325 CD ARG A 24 6.833 2.093 -13.328 1.00 0.00 C ATOM 326 NE ARG A 24 7.858 2.893 -14.008 1.00 0.00 N ATOM 327 CZ ARG A 24 9.181 2.755 -13.909 1.00 0.00 C ATOM 328 NH1 ARG A 24 9.717 1.960 -12.993 1.00 0.00 N ATOM 329 NH2 ARG A 24 9.947 3.433 -14.755 1.00 0.00 N ATOM 0 H ARG A 24 3.263 2.904 -11.654 1.00 0.00 H new ATOM 0 HA ARG A 24 5.954 2.854 -10.783 1.00 0.00 H new ATOM 0 HB2 ARG A 24 4.450 4.576 -12.760 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.187 4.620 -12.534 1.00 0.00 H new ATOM 0 HG2 ARG A 24 4.690 2.042 -13.177 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.292 3.109 -14.429 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.112 1.949 -12.284 1.00 0.00 H new ATOM 0 HD3 ARG A 24 6.777 1.104 -13.783 1.00 0.00 H new ATOM 0 HE ARG A 24 7.523 3.635 -14.623 1.00 0.00 H new ATOM 0 HH11 ARG A 24 9.116 1.443 -12.351 1.00 0.00 H new ATOM 0 HH12 ARG A 24 10.731 1.865 -12.930 1.00 0.00 H new ATOM 0 HH21 ARG A 24 9.520 4.039 -15.456 1.00 0.00 H new ATOM 0 HH22 ARG A 24 10.962 3.348 -14.704 1.00 0.00 H new ATOM 343 N GLN A 25 4.245 5.597 -9.927 1.00 0.00 N ATOM 344 CA GLN A 25 4.296 6.722 -8.992 1.00 0.00 C ATOM 345 C GLN A 25 4.587 6.255 -7.560 1.00 0.00 C ATOM 346 O GLN A 25 5.396 6.875 -6.868 1.00 0.00 O ATOM 347 CB GLN A 25 3.003 7.552 -9.075 1.00 0.00 C ATOM 348 CG GLN A 25 2.969 8.722 -8.079 1.00 0.00 C ATOM 349 CD GLN A 25 4.140 9.696 -8.262 1.00 0.00 C ATOM 350 OE1 GLN A 25 4.156 10.508 -9.187 1.00 0.00 O ATOM 351 NE2 GLN A 25 5.169 9.594 -7.438 1.00 0.00 N ATOM 0 H GLN A 25 3.405 5.574 -10.506 1.00 0.00 H new ATOM 0 HA GLN A 25 5.125 7.367 -9.283 1.00 0.00 H new ATOM 0 HB2 GLN A 25 2.894 7.942 -10.087 1.00 0.00 H new ATOM 0 HB3 GLN A 25 2.149 6.901 -8.890 1.00 0.00 H new ATOM 0 HG2 GLN A 25 2.031 9.264 -8.195 1.00 0.00 H new ATOM 0 HG3 GLN A 25 2.986 8.328 -7.063 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.146 8.918 -6.675 1.00 0.00 H new ATOM 0 HE22 GLN A 25 5.986 10.191 -7.566 1.00 0.00 H new ATOM 360 N LEU A 26 3.963 5.162 -7.115 1.00 0.00 N ATOM 361 CA LEU A 26 4.182 4.635 -5.774 1.00 0.00 C ATOM 362 C LEU A 26 5.668 4.294 -5.593 1.00 0.00 C ATOM 363 O LEU A 26 6.255 4.609 -4.561 1.00 0.00 O ATOM 364 CB LEU A 26 3.262 3.426 -5.555 1.00 0.00 C ATOM 365 CG LEU A 26 2.702 3.346 -4.129 1.00 0.00 C ATOM 366 CD1 LEU A 26 1.570 2.321 -4.107 1.00 0.00 C ATOM 367 CD2 LEU A 26 3.732 2.959 -3.072 1.00 0.00 C ATOM 0 H LEU A 26 3.298 4.624 -7.671 1.00 0.00 H new ATOM 0 HA LEU A 26 3.932 5.379 -5.017 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.434 3.475 -6.262 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.815 2.512 -5.774 1.00 0.00 H new ATOM 0 HG LEU A 26 2.359 4.348 -3.874 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.161 2.252 -3.099 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.785 2.631 -4.797 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.955 1.347 -4.409 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.254 2.925 -2.093 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.145 1.978 -3.308 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.534 3.697 -3.059 1.00 0.00 H new ATOM 379 N SER A 27 6.276 3.670 -6.604 1.00 0.00 N ATOM 380 CA SER A 27 7.684 3.287 -6.614 1.00 0.00 C ATOM 381 C SER A 27 8.559 4.542 -6.470 1.00 0.00 C ATOM 382 O SER A 27 9.507 4.541 -5.682 1.00 0.00 O ATOM 383 CB SER A 27 7.994 2.521 -7.910 1.00 0.00 C ATOM 384 OG SER A 27 9.329 2.063 -7.989 1.00 0.00 O ATOM 0 H SER A 27 5.786 3.411 -7.461 1.00 0.00 H new ATOM 0 HA SER A 27 7.903 2.629 -5.773 1.00 0.00 H new ATOM 0 HB2 SER A 27 7.320 1.668 -7.988 1.00 0.00 H new ATOM 0 HB3 SER A 27 7.789 3.168 -8.763 1.00 0.00 H new ATOM 0 HG SER A 27 9.461 1.584 -8.834 1.00 0.00 H new ATOM 390 N LEU A 28 8.275 5.624 -7.208 1.00 0.00 N ATOM 391 CA LEU A 28 9.055 6.851 -7.131 1.00 0.00 C ATOM 392 C LEU A 28 9.033 7.444 -5.732 1.00 0.00 C ATOM 393 O LEU A 28 10.078 7.871 -5.242 1.00 0.00 O ATOM 394 CB LEU A 28 8.521 7.880 -8.131 1.00 0.00 C ATOM 395 CG LEU A 28 8.932 7.646 -9.585 1.00 0.00 C ATOM 396 CD1 LEU A 28 10.435 7.450 -9.749 1.00 0.00 C ATOM 397 CD2 LEU A 28 8.219 6.522 -10.317 1.00 0.00 C ATOM 0 H LEU A 28 7.500 5.666 -7.870 1.00 0.00 H new ATOM 0 HA LEU A 28 10.087 6.599 -7.377 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.433 7.888 -8.074 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.863 8.870 -7.828 1.00 0.00 H new ATOM 0 HG LEU A 28 8.610 8.575 -10.055 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.668 7.288 -10.801 1.00 0.00 H new ATOM 0 HD12 LEU A 28 10.959 8.338 -9.394 1.00 0.00 H new ATOM 0 HD13 LEU A 28 10.754 6.584 -9.169 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.597 6.455 -11.337 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.400 5.579 -9.801 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.148 6.724 -10.339 1.00 0.00 H new ATOM 409 N ASP A 29 7.863 7.480 -5.102 1.00 0.00 N ATOM 410 CA ASP A 29 7.722 8.007 -3.746 1.00 0.00 C ATOM 411 C ASP A 29 8.441 7.061 -2.776 1.00 0.00 C ATOM 412 O ASP A 29 9.095 7.522 -1.845 1.00 0.00 O ATOM 413 CB ASP A 29 6.236 8.211 -3.408 1.00 0.00 C ATOM 414 CG ASP A 29 5.774 9.660 -3.631 1.00 0.00 C ATOM 415 OD1 ASP A 29 6.324 10.376 -4.504 1.00 0.00 O ATOM 416 OD2 ASP A 29 4.800 10.081 -2.968 1.00 0.00 O ATOM 0 H ASP A 29 6.990 7.147 -5.512 1.00 0.00 H new ATOM 0 HA ASP A 29 8.188 8.988 -3.658 1.00 0.00 H new ATOM 0 HB2 ASP A 29 5.632 7.542 -4.022 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.062 7.934 -2.368 1.00 0.00 H new ATOM 421 N ILE A 30 8.405 5.743 -3.004 1.00 0.00 N ATOM 422 CA ILE A 30 9.094 4.760 -2.161 1.00 0.00 C ATOM 423 C ILE A 30 10.605 5.053 -2.210 1.00 0.00 C ATOM 424 O ILE A 30 11.296 4.963 -1.192 1.00 0.00 O ATOM 425 CB ILE A 30 8.718 3.324 -2.622 1.00 0.00 C ATOM 426 CG1 ILE A 30 7.464 2.871 -1.846 1.00 0.00 C ATOM 427 CG2 ILE A 30 9.856 2.299 -2.481 1.00 0.00 C ATOM 428 CD1 ILE A 30 6.822 1.590 -2.390 1.00 0.00 C ATOM 0 H ILE A 30 7.894 5.327 -3.783 1.00 0.00 H new ATOM 0 HA ILE A 30 8.783 4.833 -1.119 1.00 0.00 H new ATOM 0 HB ILE A 30 8.515 3.367 -3.692 1.00 0.00 H new ATOM 0 HG12 ILE A 30 7.733 2.715 -0.801 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.726 3.673 -1.869 1.00 0.00 H new ATOM 0 HG21 ILE A 30 9.511 1.323 -2.824 1.00 0.00 H new ATOM 0 HG22 ILE A 30 10.707 2.616 -3.083 1.00 0.00 H new ATOM 0 HG23 ILE A 30 10.157 2.231 -1.436 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.947 1.339 -1.791 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.520 1.746 -3.426 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.542 0.773 -2.341 1.00 0.00 H new ATOM 440 N ASN A 31 11.128 5.460 -3.374 1.00 0.00 N ATOM 441 CA ASN A 31 12.547 5.778 -3.533 1.00 0.00 C ATOM 442 C ASN A 31 12.943 6.999 -2.685 1.00 0.00 C ATOM 443 O ASN A 31 14.122 7.168 -2.363 1.00 0.00 O ATOM 444 CB ASN A 31 12.915 5.975 -5.011 1.00 0.00 C ATOM 445 CG ASN A 31 13.207 4.657 -5.718 1.00 0.00 C ATOM 446 OD1 ASN A 31 14.358 4.325 -5.975 1.00 0.00 O ATOM 447 ND2 ASN A 31 12.201 3.878 -6.065 1.00 0.00 N ATOM 0 H ASN A 31 10.580 5.577 -4.226 1.00 0.00 H new ATOM 0 HA ASN A 31 13.119 4.926 -3.167 1.00 0.00 H new ATOM 0 HB2 ASN A 31 12.098 6.484 -5.521 1.00 0.00 H new ATOM 0 HB3 ASN A 31 13.788 6.623 -5.082 1.00 0.00 H new ATOM 0 HD21 ASN A 31 12.381 2.998 -6.548 1.00 0.00 H new ATOM 0 HD22 ASN A 31 11.243 4.156 -5.850 1.00 0.00 H new ATOM 454 N LYS A 32 11.991 7.861 -2.309 1.00 0.00 N ATOM 455 CA LYS A 32 12.257 9.038 -1.485 1.00 0.00 C ATOM 456 C LYS A 32 12.433 8.675 -0.012 1.00 0.00 C ATOM 457 O LYS A 32 13.008 9.489 0.713 1.00 0.00 O ATOM 458 CB LYS A 32 11.104 10.053 -1.611 1.00 0.00 C ATOM 459 CG LYS A 32 10.931 10.643 -3.025 1.00 0.00 C ATOM 460 CD LYS A 32 12.122 11.497 -3.485 1.00 0.00 C ATOM 461 CE LYS A 32 12.231 12.732 -2.586 1.00 0.00 C ATOM 462 NZ LYS A 32 13.546 13.389 -2.658 1.00 0.00 N ATOM 0 H LYS A 32 11.011 7.758 -2.571 1.00 0.00 H new ATOM 0 HA LYS A 32 13.186 9.477 -1.849 1.00 0.00 H new ATOM 0 HB2 LYS A 32 10.174 9.567 -1.316 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.275 10.868 -0.908 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.784 9.828 -3.734 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.028 11.252 -3.047 1.00 0.00 H new ATOM 0 HD2 LYS A 32 13.042 10.915 -3.437 1.00 0.00 H new ATOM 0 HD3 LYS A 32 11.989 11.799 -4.524 1.00 0.00 H new ATOM 0 HE2 LYS A 32 11.459 13.448 -2.868 1.00 0.00 H new ATOM 0 HE3 LYS A 32 12.034 12.441 -1.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 13.556 14.216 -2.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 14.285 12.720 -2.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 13.728 13.696 -3.635 1.00 0.00 H new ATOM 476 N LEU A 33 11.932 7.518 0.431 1.00 0.00 N ATOM 477 CA LEU A 33 12.040 7.089 1.821 1.00 0.00 C ATOM 478 C LEU A 33 13.490 6.740 2.163 1.00 0.00 C ATOM 479 O LEU A 33 14.194 6.171 1.319 1.00 0.00 O ATOM 480 CB LEU A 33 11.180 5.839 2.075 1.00 0.00 C ATOM 481 CG LEU A 33 9.661 6.059 1.961 1.00 0.00 C ATOM 482 CD1 LEU A 33 8.966 4.697 1.945 1.00 0.00 C ATOM 483 CD2 LEU A 33 9.122 6.887 3.135 1.00 0.00 C ATOM 0 H LEU A 33 11.440 6.855 -0.168 1.00 0.00 H new ATOM 0 HA LEU A 33 11.693 7.913 2.444 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.474 5.065 1.366 1.00 0.00 H new ATOM 0 HB3 LEU A 33 11.403 5.460 3.072 1.00 0.00 H new ATOM 0 HG LEU A 33 9.460 6.608 1.041 1.00 0.00 H new ATOM 0 HD11 LEU A 33 7.888 4.839 1.864 1.00 0.00 H new ATOM 0 HD12 LEU A 33 9.320 4.118 1.092 1.00 0.00 H new ATOM 0 HD13 LEU A 33 9.193 4.162 2.867 1.00 0.00 H new ATOM 0 HD21 LEU A 33 8.046 7.022 3.021 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.325 6.367 4.071 1.00 0.00 H new ATOM 0 HD23 LEU A 33 9.611 7.861 3.148 1.00 0.00 H new ATOM 495 N PRO A 34 13.949 7.027 3.391 1.00 0.00 N ATOM 496 CA PRO A 34 15.302 6.705 3.813 1.00 0.00 C ATOM 497 C PRO A 34 15.425 5.192 3.990 1.00 0.00 C ATOM 498 O PRO A 34 14.431 4.509 4.261 1.00 0.00 O ATOM 499 CB PRO A 34 15.487 7.433 5.143 1.00 0.00 C ATOM 500 CG PRO A 34 14.081 7.507 5.710 1.00 0.00 C ATOM 501 CD PRO A 34 13.227 7.694 4.462 1.00 0.00 C ATOM 0 HA PRO A 34 16.059 7.008 3.090 1.00 0.00 H new ATOM 0 HB2 PRO A 34 16.159 6.889 5.807 1.00 0.00 H new ATOM 0 HB3 PRO A 34 15.914 8.426 5.000 1.00 0.00 H new ATOM 0 HG2 PRO A 34 13.814 6.599 6.251 1.00 0.00 H new ATOM 0 HG3 PRO A 34 13.968 8.338 6.406 1.00 0.00 H new ATOM 0 HD2 PRO A 34 12.236 7.260 4.596 1.00 0.00 H new ATOM 0 HD3 PRO A 34 13.084 8.751 4.239 1.00 0.00 H new ATOM 509 N GLY A 35 16.647 4.672 3.880 1.00 0.00 N ATOM 510 CA GLY A 35 16.935 3.251 4.020 1.00 0.00 C ATOM 511 C GLY A 35 16.390 2.721 5.339 1.00 0.00 C ATOM 512 O GLY A 35 15.658 1.737 5.345 1.00 0.00 O ATOM 0 H GLY A 35 17.474 5.237 3.688 1.00 0.00 H new ATOM 0 HA2 GLY A 35 16.492 2.701 3.190 1.00 0.00 H new ATOM 0 HA3 GLY A 35 18.011 3.086 3.973 1.00 0.00 H new ATOM 516 N GLU A 36 16.637 3.428 6.445 1.00 0.00 N ATOM 517 CA GLU A 36 16.188 3.044 7.785 1.00 0.00 C ATOM 518 C GLU A 36 14.661 2.895 7.937 1.00 0.00 C ATOM 519 O GLU A 36 14.214 2.183 8.844 1.00 0.00 O ATOM 520 CB GLU A 36 16.734 4.039 8.819 1.00 0.00 C ATOM 521 CG GLU A 36 16.377 5.502 8.511 1.00 0.00 C ATOM 522 CD GLU A 36 16.156 6.307 9.788 1.00 0.00 C ATOM 523 OE1 GLU A 36 17.113 6.497 10.573 1.00 0.00 O ATOM 524 OE2 GLU A 36 15.022 6.794 10.001 1.00 0.00 O ATOM 0 H GLU A 36 17.165 4.301 6.433 1.00 0.00 H new ATOM 0 HA GLU A 36 16.590 2.046 7.960 1.00 0.00 H new ATOM 0 HB2 GLU A 36 16.345 3.778 9.803 1.00 0.00 H new ATOM 0 HB3 GLU A 36 17.818 3.941 8.869 1.00 0.00 H new ATOM 0 HG2 GLU A 36 17.177 5.957 7.927 1.00 0.00 H new ATOM 0 HG3 GLU A 36 15.476 5.536 7.898 1.00 0.00 H new ATOM 531 N LYS A 37 13.852 3.553 7.091 1.00 0.00 N ATOM 532 CA LYS A 37 12.388 3.452 7.159 1.00 0.00 C ATOM 533 C LYS A 37 11.845 2.558 6.052 1.00 0.00 C ATOM 534 O LYS A 37 10.713 2.090 6.167 1.00 0.00 O ATOM 535 CB LYS A 37 11.721 4.829 7.048 1.00 0.00 C ATOM 536 CG LYS A 37 12.113 5.783 8.185 1.00 0.00 C ATOM 537 CD LYS A 37 11.447 7.157 8.004 1.00 0.00 C ATOM 538 CE LYS A 37 10.267 7.323 8.962 1.00 0.00 C ATOM 539 NZ LYS A 37 10.731 7.674 10.315 1.00 0.00 N ATOM 0 H LYS A 37 14.191 4.164 6.348 1.00 0.00 H new ATOM 0 HA LYS A 37 12.152 3.016 8.130 1.00 0.00 H new ATOM 0 HB2 LYS A 37 11.991 5.281 6.094 1.00 0.00 H new ATOM 0 HB3 LYS A 37 10.638 4.702 7.045 1.00 0.00 H new ATOM 0 HG2 LYS A 37 11.817 5.355 9.143 1.00 0.00 H new ATOM 0 HG3 LYS A 37 13.196 5.900 8.209 1.00 0.00 H new ATOM 0 HD2 LYS A 37 12.178 7.946 8.181 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.103 7.266 6.975 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.598 8.099 8.590 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.692 6.398 9.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 9.911 7.781 10.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.350 6.920 10.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.260 8.569 10.279 1.00 0.00 H new ATOM 553 N LEU A 38 12.622 2.298 4.996 1.00 0.00 N ATOM 554 CA LEU A 38 12.188 1.473 3.878 1.00 0.00 C ATOM 555 C LEU A 38 11.679 0.116 4.336 1.00 0.00 C ATOM 556 O LEU A 38 10.626 -0.289 3.857 1.00 0.00 O ATOM 557 CB LEU A 38 13.297 1.317 2.834 1.00 0.00 C ATOM 558 CG LEU A 38 12.839 0.575 1.564 1.00 0.00 C ATOM 559 CD1 LEU A 38 11.798 1.404 0.804 1.00 0.00 C ATOM 560 CD2 LEU A 38 14.039 0.285 0.663 1.00 0.00 C ATOM 0 H LEU A 38 13.571 2.658 4.898 1.00 0.00 H new ATOM 0 HA LEU A 38 11.353 1.993 3.408 1.00 0.00 H new ATOM 0 HB2 LEU A 38 13.666 2.304 2.556 1.00 0.00 H new ATOM 0 HB3 LEU A 38 14.133 0.778 3.280 1.00 0.00 H new ATOM 0 HG LEU A 38 12.382 -0.369 1.860 1.00 0.00 H new ATOM 0 HD11 LEU A 38 11.486 0.865 -0.090 1.00 0.00 H new ATOM 0 HD12 LEU A 38 10.933 1.577 1.444 1.00 0.00 H new ATOM 0 HD13 LEU A 38 12.234 2.361 0.517 1.00 0.00 H new ATOM 0 HD21 LEU A 38 13.704 -0.240 -0.232 1.00 0.00 H new ATOM 0 HD22 LEU A 38 14.514 1.223 0.377 1.00 0.00 H new ATOM 0 HD23 LEU A 38 14.756 -0.336 1.200 1.00 0.00 H new ATOM 572 N GLY A 39 12.331 -0.549 5.294 1.00 0.00 N ATOM 573 CA GLY A 39 11.910 -1.857 5.786 1.00 0.00 C ATOM 574 C GLY A 39 10.510 -1.861 6.397 1.00 0.00 C ATOM 575 O GLY A 39 9.987 -2.933 6.693 1.00 0.00 O ATOM 0 H GLY A 39 13.170 -0.190 5.750 1.00 0.00 H new ATOM 0 HA2 GLY A 39 11.940 -2.572 4.964 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.624 -2.201 6.534 1.00 0.00 H new ATOM 579 N ARG A 40 9.879 -0.709 6.665 1.00 0.00 N ATOM 580 CA ARG A 40 8.519 -0.739 7.177 1.00 0.00 C ATOM 581 C ARG A 40 7.575 -1.012 6.000 1.00 0.00 C ATOM 582 O ARG A 40 6.487 -1.547 6.207 1.00 0.00 O ATOM 583 CB ARG A 40 8.172 0.561 7.920 1.00 0.00 C ATOM 584 CG ARG A 40 6.726 0.579 8.444 1.00 0.00 C ATOM 585 CD ARG A 40 6.399 -0.608 9.366 1.00 0.00 C ATOM 586 NE ARG A 40 4.958 -0.869 9.423 1.00 0.00 N ATOM 587 CZ ARG A 40 4.046 -0.333 10.233 1.00 0.00 C ATOM 588 NH1 ARG A 40 4.376 0.554 11.162 1.00 0.00 N ATOM 589 NH2 ARG A 40 2.786 -0.705 10.074 1.00 0.00 N ATOM 0 H ARG A 40 10.279 0.221 6.539 1.00 0.00 H new ATOM 0 HA ARG A 40 8.410 -1.535 7.913 1.00 0.00 H new ATOM 0 HB2 ARG A 40 8.859 0.691 8.757 1.00 0.00 H new ATOM 0 HB3 ARG A 40 8.322 1.408 7.251 1.00 0.00 H new ATOM 0 HG2 ARG A 40 6.555 1.509 8.986 1.00 0.00 H new ATOM 0 HG3 ARG A 40 6.040 0.572 7.597 1.00 0.00 H new ATOM 0 HD2 ARG A 40 6.916 -1.499 9.010 1.00 0.00 H new ATOM 0 HD3 ARG A 40 6.772 -0.403 10.370 1.00 0.00 H new ATOM 0 HE ARG A 40 4.606 -1.553 8.753 1.00 0.00 H new ATOM 0 HH11 ARG A 40 5.349 0.842 11.270 1.00 0.00 H new ATOM 0 HH12 ARG A 40 3.657 0.948 11.769 1.00 0.00 H new ATOM 0 HH21 ARG A 40 2.541 -1.381 9.350 1.00 0.00 H new ATOM 0 HH22 ARG A 40 2.060 -0.316 10.675 1.00 0.00 H new ATOM 603 N VAL A 41 7.971 -0.651 4.778 1.00 0.00 N ATOM 604 CA VAL A 41 7.198 -0.833 3.564 1.00 0.00 C ATOM 605 C VAL A 41 6.975 -2.323 3.313 1.00 0.00 C ATOM 606 O VAL A 41 5.822 -2.736 3.221 1.00 0.00 O ATOM 607 CB VAL A 41 7.867 -0.096 2.383 1.00 0.00 C ATOM 608 CG1 VAL A 41 6.988 -0.201 1.134 1.00 0.00 C ATOM 609 CG2 VAL A 41 8.053 1.399 2.686 1.00 0.00 C ATOM 0 H VAL A 41 8.874 -0.208 4.608 1.00 0.00 H new ATOM 0 HA VAL A 41 6.211 -0.384 3.675 1.00 0.00 H new ATOM 0 HB VAL A 41 8.838 -0.564 2.223 1.00 0.00 H new ATOM 0 HG11 VAL A 41 7.468 0.322 0.306 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.853 -1.250 0.871 1.00 0.00 H new ATOM 0 HG13 VAL A 41 6.016 0.251 1.334 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.526 1.887 1.834 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.081 1.856 2.872 1.00 0.00 H new ATOM 0 HG23 VAL A 41 8.684 1.516 3.567 1.00 0.00 H new ATOM 619 N VAL A 42 8.030 -3.144 3.279 1.00 0.00 N ATOM 620 CA VAL A 42 7.924 -4.587 3.035 1.00 0.00 C ATOM 621 C VAL A 42 6.969 -5.260 4.020 1.00 0.00 C ATOM 622 O VAL A 42 6.255 -6.192 3.651 1.00 0.00 O ATOM 623 CB VAL A 42 9.329 -5.220 3.033 1.00 0.00 C ATOM 624 CG1 VAL A 42 10.074 -5.033 4.347 1.00 0.00 C ATOM 625 CG2 VAL A 42 9.338 -6.703 2.645 1.00 0.00 C ATOM 0 H VAL A 42 8.988 -2.824 3.421 1.00 0.00 H new ATOM 0 HA VAL A 42 7.487 -4.748 2.050 1.00 0.00 H new ATOM 0 HB VAL A 42 9.858 -4.669 2.256 1.00 0.00 H new ATOM 0 HG11 VAL A 42 11.056 -5.502 4.279 1.00 0.00 H new ATOM 0 HG12 VAL A 42 10.194 -3.969 4.549 1.00 0.00 H new ATOM 0 HG13 VAL A 42 9.507 -5.494 5.156 1.00 0.00 H new ATOM 0 HG21 VAL A 42 10.361 -7.078 2.666 1.00 0.00 H new ATOM 0 HG22 VAL A 42 8.730 -7.268 3.352 1.00 0.00 H new ATOM 0 HG23 VAL A 42 8.930 -6.819 1.641 1.00 0.00 H new ATOM 635 N HIS A 43 6.911 -4.780 5.266 1.00 0.00 N ATOM 636 CA HIS A 43 6.029 -5.348 6.275 1.00 0.00 C ATOM 637 C HIS A 43 4.560 -5.192 5.862 1.00 0.00 C ATOM 638 O HIS A 43 3.721 -5.989 6.284 1.00 0.00 O ATOM 639 CB HIS A 43 6.320 -4.734 7.648 1.00 0.00 C ATOM 640 CG HIS A 43 7.638 -5.169 8.247 1.00 0.00 C ATOM 641 ND1 HIS A 43 8.140 -6.453 8.264 1.00 0.00 N ATOM 642 CD2 HIS A 43 8.496 -4.385 8.972 1.00 0.00 C ATOM 643 CE1 HIS A 43 9.265 -6.438 8.998 1.00 0.00 C ATOM 644 NE2 HIS A 43 9.530 -5.199 9.444 1.00 0.00 N ATOM 0 H HIS A 43 7.471 -3.994 5.596 1.00 0.00 H new ATOM 0 HA HIS A 43 6.223 -6.418 6.354 1.00 0.00 H new ATOM 0 HB2 HIS A 43 6.314 -3.648 7.558 1.00 0.00 H new ATOM 0 HB3 HIS A 43 5.515 -5.001 8.333 1.00 0.00 H new ATOM 0 HD1 HIS A 43 7.732 -7.266 7.803 1.00 0.00 H new ATOM 0 HD2 HIS A 43 8.392 -3.325 9.148 1.00 0.00 H new ATOM 0 HE1 HIS A 43 9.875 -7.306 9.202 1.00 0.00 H new ATOM 652 N ILE A 44 4.220 -4.173 5.066 1.00 0.00 N ATOM 653 CA ILE A 44 2.859 -3.955 4.590 1.00 0.00 C ATOM 654 C ILE A 44 2.560 -5.092 3.601 1.00 0.00 C ATOM 655 O ILE A 44 1.497 -5.705 3.690 1.00 0.00 O ATOM 656 CB ILE A 44 2.705 -2.557 3.946 1.00 0.00 C ATOM 657 CG1 ILE A 44 3.100 -1.407 4.905 1.00 0.00 C ATOM 658 CG2 ILE A 44 1.256 -2.353 3.454 1.00 0.00 C ATOM 659 CD1 ILE A 44 3.274 -0.053 4.200 1.00 0.00 C ATOM 0 H ILE A 44 4.887 -3.476 4.735 1.00 0.00 H new ATOM 0 HA ILE A 44 2.143 -3.971 5.412 1.00 0.00 H new ATOM 0 HB ILE A 44 3.393 -2.523 3.101 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.337 -1.310 5.677 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.031 -1.668 5.408 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.161 -1.365 3.003 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.012 -3.115 2.714 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.570 -2.434 4.298 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.550 0.706 4.932 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.058 -0.133 3.447 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.337 0.230 3.720 1.00 0.00 H new ATOM 671 N ILE A 45 3.474 -5.401 2.666 1.00 0.00 N ATOM 672 CA ILE A 45 3.242 -6.489 1.717 1.00 0.00 C ATOM 673 C ILE A 45 3.150 -7.805 2.496 1.00 0.00 C ATOM 674 O ILE A 45 2.227 -8.574 2.237 1.00 0.00 O ATOM 675 CB ILE A 45 4.271 -6.557 0.563 1.00 0.00 C ATOM 676 CG1 ILE A 45 4.316 -5.268 -0.292 1.00 0.00 C ATOM 677 CG2 ILE A 45 3.862 -7.714 -0.366 1.00 0.00 C ATOM 678 CD1 ILE A 45 5.402 -4.295 0.164 1.00 0.00 C ATOM 0 H ILE A 45 4.365 -4.918 2.552 1.00 0.00 H new ATOM 0 HA ILE A 45 2.298 -6.293 1.208 1.00 0.00 H new ATOM 0 HB ILE A 45 5.255 -6.694 1.011 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.488 -5.535 -1.335 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.347 -4.772 -0.245 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.571 -7.786 -1.191 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.862 -8.648 0.195 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.863 -7.528 -0.761 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.387 -3.409 -0.471 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.218 -4.003 1.198 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.377 -4.777 0.091 1.00 0.00 H new ATOM 690 N GLN A 46 4.004 -8.035 3.501 1.00 0.00 N ATOM 691 CA GLN A 46 3.969 -9.260 4.303 1.00 0.00 C ATOM 692 C GLN A 46 2.598 -9.448 4.979 1.00 0.00 C ATOM 693 O GLN A 46 2.210 -10.580 5.274 1.00 0.00 O ATOM 694 CB GLN A 46 5.127 -9.273 5.310 1.00 0.00 C ATOM 695 CG GLN A 46 6.479 -9.466 4.601 1.00 0.00 C ATOM 696 CD GLN A 46 7.657 -9.480 5.569 1.00 0.00 C ATOM 697 OE1 GLN A 46 7.852 -8.542 6.344 1.00 0.00 O ATOM 698 NE2 GLN A 46 8.468 -10.525 5.543 1.00 0.00 N ATOM 0 H GLN A 46 4.735 -7.380 3.779 1.00 0.00 H new ATOM 0 HA GLN A 46 4.104 -10.115 3.640 1.00 0.00 H new ATOM 0 HB2 GLN A 46 5.137 -8.337 5.869 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.975 -10.074 6.033 1.00 0.00 H new ATOM 0 HG2 GLN A 46 6.461 -10.403 4.044 1.00 0.00 H new ATOM 0 HG3 GLN A 46 6.621 -8.666 3.875 1.00 0.00 H new ATOM 0 HE21 GLN A 46 8.291 -11.292 4.895 1.00 0.00 H new ATOM 0 HE22 GLN A 46 9.271 -10.563 6.171 1.00 0.00 H new ATOM 707 N SER A 47 1.827 -8.375 5.203 1.00 0.00 N ATOM 708 CA SER A 47 0.500 -8.478 5.797 1.00 0.00 C ATOM 709 C SER A 47 -0.441 -9.155 4.790 1.00 0.00 C ATOM 710 O SER A 47 -1.384 -9.845 5.171 1.00 0.00 O ATOM 711 CB SER A 47 -0.026 -7.071 6.130 1.00 0.00 C ATOM 712 OG SER A 47 -1.266 -7.129 6.808 1.00 0.00 O ATOM 0 H SER A 47 2.109 -7.421 4.977 1.00 0.00 H new ATOM 0 HA SER A 47 0.548 -9.067 6.713 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.703 -6.545 6.747 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.139 -6.497 5.211 1.00 0.00 H new ATOM 0 HG SER A 47 -1.573 -6.220 7.007 1.00 0.00 H new ATOM 718 N ARG A 48 -0.211 -8.948 3.492 1.00 0.00 N ATOM 719 CA ARG A 48 -1.010 -9.488 2.401 1.00 0.00 C ATOM 720 C ARG A 48 -0.473 -10.801 1.861 1.00 0.00 C ATOM 721 O ARG A 48 -1.259 -11.618 1.379 1.00 0.00 O ATOM 722 CB ARG A 48 -1.093 -8.439 1.280 1.00 0.00 C ATOM 723 CG ARG A 48 -1.561 -7.047 1.750 1.00 0.00 C ATOM 724 CD ARG A 48 -3.016 -7.006 2.243 1.00 0.00 C ATOM 725 NE ARG A 48 -3.179 -7.549 3.604 1.00 0.00 N ATOM 726 CZ ARG A 48 -4.196 -8.283 4.084 1.00 0.00 C ATOM 727 NH1 ARG A 48 -5.282 -8.545 3.362 1.00 0.00 N ATOM 728 NH2 ARG A 48 -4.104 -8.791 5.305 1.00 0.00 N ATOM 0 H ARG A 48 0.568 -8.377 3.164 1.00 0.00 H new ATOM 0 HA ARG A 48 -2.003 -9.708 2.794 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -0.112 -8.342 0.815 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -1.776 -8.799 0.511 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -0.907 -6.708 2.553 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -1.448 -6.341 0.927 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -3.371 -5.976 2.224 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -3.643 -7.572 1.554 1.00 0.00 H new ATOM 0 HE ARG A 48 -2.427 -7.342 4.262 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -5.361 -8.185 2.411 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -6.035 -9.106 3.759 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -3.269 -8.622 5.866 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -4.868 -9.351 5.683 1.00 0.00 H new ATOM 742 N GLU A 49 0.823 -11.052 2.002 1.00 0.00 N ATOM 743 CA GLU A 49 1.479 -12.250 1.511 1.00 0.00 C ATOM 744 C GLU A 49 1.973 -13.110 2.681 1.00 0.00 C ATOM 745 O GLU A 49 3.147 -13.036 3.051 1.00 0.00 O ATOM 746 CB GLU A 49 2.604 -11.872 0.535 1.00 0.00 C ATOM 747 CG GLU A 49 2.198 -10.883 -0.564 1.00 0.00 C ATOM 748 CD GLU A 49 0.862 -11.205 -1.232 1.00 0.00 C ATOM 749 OE1 GLU A 49 0.722 -12.283 -1.851 1.00 0.00 O ATOM 750 OE2 GLU A 49 -0.063 -10.364 -1.199 1.00 0.00 O ATOM 0 H GLU A 49 1.460 -10.410 2.473 1.00 0.00 H new ATOM 0 HA GLU A 49 0.763 -12.857 0.957 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.430 -11.443 1.103 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.979 -12.781 0.065 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.146 -9.882 -0.136 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.977 -10.863 -1.326 1.00 0.00 H new ATOM 757 N PRO A 50 1.125 -13.983 3.258 1.00 0.00 N ATOM 758 CA PRO A 50 1.524 -14.839 4.376 1.00 0.00 C ATOM 759 C PRO A 50 2.694 -15.760 4.017 1.00 0.00 C ATOM 760 O PRO A 50 3.462 -16.146 4.898 1.00 0.00 O ATOM 761 CB PRO A 50 0.266 -15.612 4.791 1.00 0.00 C ATOM 762 CG PRO A 50 -0.643 -15.533 3.568 1.00 0.00 C ATOM 763 CD PRO A 50 -0.281 -14.192 2.944 1.00 0.00 C ATOM 0 HA PRO A 50 1.900 -14.244 5.208 1.00 0.00 H new ATOM 0 HB2 PRO A 50 0.500 -16.645 5.047 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -0.205 -15.165 5.667 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -0.462 -16.358 2.879 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -1.696 -15.575 3.847 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -0.445 -14.204 1.866 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -0.897 -13.391 3.351 1.00 0.00 H new ATOM 771 N SER A 51 2.857 -16.080 2.730 1.00 0.00 N ATOM 772 CA SER A 51 3.912 -16.921 2.178 1.00 0.00 C ATOM 773 C SER A 51 5.276 -16.208 2.177 1.00 0.00 C ATOM 774 O SER A 51 6.319 -16.857 2.098 1.00 0.00 O ATOM 775 CB SER A 51 3.486 -17.256 0.744 1.00 0.00 C ATOM 776 OG SER A 51 4.322 -18.215 0.139 1.00 0.00 O ATOM 0 H SER A 51 2.220 -15.739 2.010 1.00 0.00 H new ATOM 0 HA SER A 51 4.038 -17.817 2.786 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.461 -17.626 0.751 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.492 -16.345 0.145 1.00 0.00 H new ATOM 0 HG SER A 51 4.008 -18.395 -0.772 1.00 0.00 H new ATOM 782 N LEU A 52 5.285 -14.874 2.241 1.00 0.00 N ATOM 783 CA LEU A 52 6.490 -14.049 2.245 1.00 0.00 C ATOM 784 C LEU A 52 6.737 -13.451 3.635 1.00 0.00 C ATOM 785 O LEU A 52 7.789 -12.864 3.890 1.00 0.00 O ATOM 786 CB LEU A 52 6.367 -12.956 1.158 1.00 0.00 C ATOM 787 CG LEU A 52 6.717 -13.372 -0.291 1.00 0.00 C ATOM 788 CD1 LEU A 52 8.039 -14.135 -0.409 1.00 0.00 C ATOM 789 CD2 LEU A 52 5.629 -14.209 -0.974 1.00 0.00 C ATOM 0 H LEU A 52 4.427 -14.325 2.293 1.00 0.00 H new ATOM 0 HA LEU A 52 7.356 -14.668 2.011 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.343 -12.582 1.166 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.013 -12.124 1.438 1.00 0.00 H new ATOM 0 HG LEU A 52 6.806 -12.414 -0.802 1.00 0.00 H new ATOM 0 HD11 LEU A 52 8.218 -14.393 -1.453 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.854 -13.509 -0.045 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.988 -15.046 0.187 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.946 -14.462 -1.986 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.464 -15.124 -0.406 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.703 -13.636 -1.017 1.00 0.00 H new ATOM 801 N LYS A 53 5.801 -13.607 4.578 1.00 0.00 N ATOM 802 CA LYS A 53 5.944 -13.068 5.930 1.00 0.00 C ATOM 803 C LYS A 53 7.140 -13.653 6.679 1.00 0.00 C ATOM 804 O LYS A 53 7.727 -12.937 7.488 1.00 0.00 O ATOM 805 CB LYS A 53 4.630 -13.248 6.709 1.00 0.00 C ATOM 806 CG LYS A 53 4.727 -12.676 8.135 1.00 0.00 C ATOM 807 CD LYS A 53 3.342 -12.521 8.767 1.00 0.00 C ATOM 808 CE LYS A 53 3.436 -12.123 10.246 1.00 0.00 C ATOM 809 NZ LYS A 53 3.659 -13.279 11.140 1.00 0.00 N ATOM 0 H LYS A 53 4.927 -14.109 4.424 1.00 0.00 H new ATOM 0 HA LYS A 53 6.152 -12.002 5.841 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.820 -12.754 6.174 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.379 -14.308 6.759 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.339 -13.334 8.752 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.227 -11.708 8.108 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.775 -11.766 8.222 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.793 -13.458 8.676 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.250 -11.409 10.374 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.517 -11.615 10.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.714 -12.950 12.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.871 -13.950 11.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.549 -13.751 10.882 1.00 0.00 H new ATOM 823 N ASN A 54 7.513 -14.911 6.430 1.00 0.00 N ATOM 824 CA ASN A 54 8.641 -15.559 7.111 1.00 0.00 C ATOM 825 C ASN A 54 9.958 -15.428 6.340 1.00 0.00 C ATOM 826 O ASN A 54 10.920 -16.119 6.683 1.00 0.00 O ATOM 827 CB ASN A 54 8.336 -17.043 7.395 1.00 0.00 C ATOM 828 CG ASN A 54 7.074 -17.236 8.219 1.00 0.00 C ATOM 829 OD1 ASN A 54 6.125 -17.880 7.780 1.00 0.00 O ATOM 830 ND2 ASN A 54 7.011 -16.699 9.424 1.00 0.00 N ATOM 0 H ASN A 54 7.043 -15.510 5.751 1.00 0.00 H new ATOM 0 HA ASN A 54 8.769 -15.032 8.057 1.00 0.00 H new ATOM 0 HB2 ASN A 54 8.232 -17.576 6.450 1.00 0.00 H new ATOM 0 HB3 ASN A 54 9.180 -17.489 7.921 1.00 0.00 H new ATOM 0 HD21 ASN A 54 6.173 -16.819 9.992 1.00 0.00 H new ATOM 0 HD22 ASN A 54 7.801 -16.165 9.786 1.00 0.00 H new ATOM 837 N SER A 55 10.010 -14.626 5.276 1.00 0.00 N ATOM 838 CA SER A 55 11.225 -14.436 4.490 1.00 0.00 C ATOM 839 C SER A 55 11.837 -13.083 4.842 1.00 0.00 C ATOM 840 O SER A 55 11.133 -12.177 5.302 1.00 0.00 O ATOM 841 CB SER A 55 10.892 -14.540 2.999 1.00 0.00 C ATOM 842 OG SER A 55 10.241 -15.775 2.753 1.00 0.00 O ATOM 0 H SER A 55 9.211 -14.091 4.937 1.00 0.00 H new ATOM 0 HA SER A 55 11.956 -15.211 4.720 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.251 -13.711 2.698 1.00 0.00 H new ATOM 0 HB3 SER A 55 11.803 -14.471 2.405 1.00 0.00 H new ATOM 0 HG SER A 55 10.024 -15.846 1.800 1.00 0.00 H new ATOM 848 N ASN A 56 13.149 -12.937 4.654 1.00 0.00 N ATOM 849 CA ASN A 56 13.853 -11.691 4.946 1.00 0.00 C ATOM 850 C ASN A 56 13.325 -10.578 4.043 1.00 0.00 C ATOM 851 O ASN A 56 12.915 -10.863 2.919 1.00 0.00 O ATOM 852 CB ASN A 56 15.369 -11.833 4.720 1.00 0.00 C ATOM 853 CG ASN A 56 16.194 -11.675 5.991 1.00 0.00 C ATOM 854 OD1 ASN A 56 15.721 -11.903 7.105 1.00 0.00 O ATOM 855 ND2 ASN A 56 17.455 -11.331 5.844 1.00 0.00 N ATOM 0 H ASN A 56 13.751 -13.678 4.296 1.00 0.00 H new ATOM 0 HA ASN A 56 13.677 -11.449 5.994 1.00 0.00 H new ATOM 0 HB2 ASN A 56 15.573 -12.811 4.284 1.00 0.00 H new ATOM 0 HB3 ASN A 56 15.691 -11.087 3.993 1.00 0.00 H new ATOM 0 HD21 ASN A 56 18.060 -11.249 6.661 1.00 0.00 H new ATOM 0 HD22 ASN A 56 17.828 -11.146 4.913 1.00 0.00 H new ATOM 862 N PRO A 57 13.412 -9.309 4.463 1.00 0.00 N ATOM 863 CA PRO A 57 12.921 -8.201 3.669 1.00 0.00 C ATOM 864 C PRO A 57 13.714 -8.041 2.381 1.00 0.00 C ATOM 865 O PRO A 57 13.123 -7.893 1.316 1.00 0.00 O ATOM 866 CB PRO A 57 13.029 -6.980 4.578 1.00 0.00 C ATOM 867 CG PRO A 57 14.129 -7.347 5.556 1.00 0.00 C ATOM 868 CD PRO A 57 13.895 -8.840 5.749 1.00 0.00 C ATOM 0 HA PRO A 57 11.893 -8.356 3.341 1.00 0.00 H new ATOM 0 HB2 PRO A 57 13.280 -6.083 4.013 1.00 0.00 H new ATOM 0 HB3 PRO A 57 12.089 -6.780 5.092 1.00 0.00 H new ATOM 0 HG2 PRO A 57 15.120 -7.138 5.153 1.00 0.00 H new ATOM 0 HG3 PRO A 57 14.043 -6.796 6.493 1.00 0.00 H new ATOM 0 HD2 PRO A 57 14.814 -9.351 6.036 1.00 0.00 H new ATOM 0 HD3 PRO A 57 13.166 -9.027 6.538 1.00 0.00 H new ATOM 876 N ASP A 58 15.043 -8.087 2.473 1.00 0.00 N ATOM 877 CA ASP A 58 15.937 -7.933 1.325 1.00 0.00 C ATOM 878 C ASP A 58 15.829 -9.112 0.357 1.00 0.00 C ATOM 879 O ASP A 58 16.400 -9.070 -0.729 1.00 0.00 O ATOM 880 CB ASP A 58 17.381 -7.737 1.802 1.00 0.00 C ATOM 881 CG ASP A 58 17.571 -6.370 2.455 1.00 0.00 C ATOM 882 OD1 ASP A 58 17.422 -5.339 1.757 1.00 0.00 O ATOM 883 OD2 ASP A 58 17.847 -6.352 3.677 1.00 0.00 O ATOM 0 H ASP A 58 15.534 -8.234 3.355 1.00 0.00 H new ATOM 0 HA ASP A 58 15.628 -7.044 0.775 1.00 0.00 H new ATOM 0 HB2 ASP A 58 17.640 -8.521 2.513 1.00 0.00 H new ATOM 0 HB3 ASP A 58 18.062 -7.836 0.956 1.00 0.00 H new ATOM 888 N GLU A 59 15.151 -10.197 0.735 1.00 0.00 N ATOM 889 CA GLU A 59 14.949 -11.366 -0.110 1.00 0.00 C ATOM 890 C GLU A 59 13.595 -11.251 -0.831 1.00 0.00 C ATOM 891 O GLU A 59 13.291 -12.076 -1.696 1.00 0.00 O ATOM 892 CB GLU A 59 15.036 -12.663 0.709 1.00 0.00 C ATOM 893 CG GLU A 59 16.359 -12.836 1.461 1.00 0.00 C ATOM 894 CD GLU A 59 17.608 -12.702 0.596 1.00 0.00 C ATOM 895 OE1 GLU A 59 17.882 -13.598 -0.238 1.00 0.00 O ATOM 896 OE2 GLU A 59 18.413 -11.780 0.862 1.00 0.00 O ATOM 0 H GLU A 59 14.720 -10.285 1.655 1.00 0.00 H new ATOM 0 HA GLU A 59 15.742 -11.404 -0.857 1.00 0.00 H new ATOM 0 HB2 GLU A 59 14.216 -12.683 1.427 1.00 0.00 H new ATOM 0 HB3 GLU A 59 14.896 -13.513 0.041 1.00 0.00 H new ATOM 0 HG2 GLU A 59 16.406 -12.096 2.260 1.00 0.00 H new ATOM 0 HG3 GLU A 59 16.366 -13.818 1.935 1.00 0.00 H new ATOM 903 N ILE A 60 12.790 -10.242 -0.487 1.00 0.00 N ATOM 904 CA ILE A 60 11.480 -9.967 -1.065 1.00 0.00 C ATOM 905 C ILE A 60 11.659 -8.815 -2.050 1.00 0.00 C ATOM 906 O ILE A 60 11.825 -7.653 -1.660 1.00 0.00 O ATOM 907 CB ILE A 60 10.444 -9.650 0.031 1.00 0.00 C ATOM 908 CG1 ILE A 60 10.260 -10.866 0.961 1.00 0.00 C ATOM 909 CG2 ILE A 60 9.082 -9.275 -0.587 1.00 0.00 C ATOM 910 CD1 ILE A 60 9.659 -10.489 2.319 1.00 0.00 C ATOM 0 H ILE A 60 13.048 -9.568 0.233 1.00 0.00 H new ATOM 0 HA ILE A 60 11.091 -10.841 -1.588 1.00 0.00 H new ATOM 0 HB ILE A 60 10.817 -8.802 0.605 1.00 0.00 H new ATOM 0 HG12 ILE A 60 9.614 -11.596 0.473 1.00 0.00 H new ATOM 0 HG13 ILE A 60 11.225 -11.348 1.117 1.00 0.00 H new ATOM 0 HG21 ILE A 60 8.369 -9.056 0.208 1.00 0.00 H new ATOM 0 HG22 ILE A 60 9.200 -8.396 -1.221 1.00 0.00 H new ATOM 0 HG23 ILE A 60 8.713 -10.107 -1.186 1.00 0.00 H new ATOM 0 HD11 ILE A 60 9.553 -11.385 2.931 1.00 0.00 H new ATOM 0 HD12 ILE A 60 10.316 -9.781 2.824 1.00 0.00 H new ATOM 0 HD13 ILE A 60 8.680 -10.033 2.170 1.00 0.00 H new ATOM 922 N GLU A 61 11.674 -9.155 -3.328 1.00 0.00 N ATOM 923 CA GLU A 61 11.819 -8.215 -4.437 1.00 0.00 C ATOM 924 C GLU A 61 10.425 -7.677 -4.771 1.00 0.00 C ATOM 925 O GLU A 61 9.470 -8.451 -4.806 1.00 0.00 O ATOM 926 CB GLU A 61 12.439 -8.952 -5.630 1.00 0.00 C ATOM 927 CG GLU A 61 13.903 -9.332 -5.356 1.00 0.00 C ATOM 928 CD GLU A 61 14.307 -10.580 -6.133 1.00 0.00 C ATOM 929 OE1 GLU A 61 14.657 -10.479 -7.327 1.00 0.00 O ATOM 930 OE2 GLU A 61 14.323 -11.690 -5.549 1.00 0.00 O ATOM 0 H GLU A 61 11.583 -10.123 -3.637 1.00 0.00 H new ATOM 0 HA GLU A 61 12.472 -7.381 -4.181 1.00 0.00 H new ATOM 0 HB2 GLU A 61 11.862 -9.852 -5.843 1.00 0.00 H new ATOM 0 HB3 GLU A 61 12.385 -8.321 -6.517 1.00 0.00 H new ATOM 0 HG2 GLU A 61 14.554 -8.503 -5.632 1.00 0.00 H new ATOM 0 HG3 GLU A 61 14.042 -9.505 -4.289 1.00 0.00 H new ATOM 937 N ILE A 62 10.286 -6.369 -4.994 1.00 0.00 N ATOM 938 CA ILE A 62 9.003 -5.742 -5.307 1.00 0.00 C ATOM 939 C ILE A 62 8.749 -5.749 -6.813 1.00 0.00 C ATOM 940 O ILE A 62 9.645 -5.445 -7.608 1.00 0.00 O ATOM 941 CB ILE A 62 8.987 -4.254 -4.867 1.00 0.00 C ATOM 942 CG1 ILE A 62 9.569 -3.981 -3.466 1.00 0.00 C ATOM 943 CG2 ILE A 62 7.554 -3.676 -4.920 1.00 0.00 C ATOM 944 CD1 ILE A 62 10.055 -2.537 -3.379 1.00 0.00 C ATOM 0 H ILE A 62 11.066 -5.712 -4.962 1.00 0.00 H new ATOM 0 HA ILE A 62 8.241 -6.313 -4.776 1.00 0.00 H new ATOM 0 HB ILE A 62 9.641 -3.759 -5.584 1.00 0.00 H new ATOM 0 HG12 ILE A 62 8.811 -4.165 -2.705 1.00 0.00 H new ATOM 0 HG13 ILE A 62 10.394 -4.664 -3.266 1.00 0.00 H new ATOM 0 HG21 ILE A 62 7.571 -2.632 -4.607 1.00 0.00 H new ATOM 0 HG22 ILE A 62 7.172 -3.743 -5.939 1.00 0.00 H new ATOM 0 HG23 ILE A 62 6.907 -4.245 -4.252 1.00 0.00 H new ATOM 0 HD11 ILE A 62 10.465 -2.350 -2.387 1.00 0.00 H new ATOM 0 HD12 ILE A 62 10.828 -2.367 -4.129 1.00 0.00 H new ATOM 0 HD13 ILE A 62 9.220 -1.860 -3.559 1.00 0.00 H new ATOM 956 N ASP A 63 7.514 -6.036 -7.210 1.00 0.00 N ATOM 957 CA ASP A 63 7.076 -6.012 -8.593 1.00 0.00 C ATOM 958 C ASP A 63 5.608 -5.643 -8.509 1.00 0.00 C ATOM 959 O ASP A 63 4.837 -6.283 -7.800 1.00 0.00 O ATOM 960 CB ASP A 63 7.359 -7.292 -9.381 1.00 0.00 C ATOM 961 CG ASP A 63 8.122 -6.943 -10.665 1.00 0.00 C ATOM 962 OD1 ASP A 63 7.784 -5.942 -11.344 1.00 0.00 O ATOM 963 OD2 ASP A 63 9.066 -7.685 -11.014 1.00 0.00 O ATOM 0 H ASP A 63 6.774 -6.298 -6.559 1.00 0.00 H new ATOM 0 HA ASP A 63 7.646 -5.290 -9.177 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.944 -7.984 -8.774 1.00 0.00 H new ATOM 0 HB3 ASP A 63 6.424 -7.795 -9.626 1.00 0.00 H new ATOM 968 N PHE A 64 5.215 -4.553 -9.155 1.00 0.00 N ATOM 969 CA PHE A 64 3.847 -4.052 -9.113 1.00 0.00 C ATOM 970 C PHE A 64 2.949 -4.808 -10.079 1.00 0.00 C ATOM 971 O PHE A 64 1.757 -4.534 -10.203 1.00 0.00 O ATOM 972 CB PHE A 64 3.877 -2.552 -9.410 1.00 0.00 C ATOM 973 CG PHE A 64 4.485 -1.703 -8.302 1.00 0.00 C ATOM 974 CD1 PHE A 64 5.881 -1.591 -8.145 1.00 0.00 C ATOM 975 CD2 PHE A 64 3.640 -1.030 -7.403 1.00 0.00 C ATOM 976 CE1 PHE A 64 6.419 -0.822 -7.097 1.00 0.00 C ATOM 977 CE2 PHE A 64 4.177 -0.259 -6.359 1.00 0.00 C ATOM 978 CZ PHE A 64 5.567 -0.149 -6.204 1.00 0.00 C ATOM 0 H PHE A 64 5.841 -3.987 -9.727 1.00 0.00 H new ATOM 0 HA PHE A 64 3.423 -4.213 -8.122 1.00 0.00 H new ATOM 0 HB2 PHE A 64 4.441 -2.387 -10.328 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.859 -2.210 -9.595 1.00 0.00 H new ATOM 0 HD1 PHE A 64 6.541 -2.098 -8.833 1.00 0.00 H new ATOM 0 HD2 PHE A 64 2.569 -1.106 -7.516 1.00 0.00 H new ATOM 0 HE1 PHE A 64 7.490 -0.748 -6.978 1.00 0.00 H new ATOM 0 HE2 PHE A 64 3.517 0.251 -5.673 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.980 0.448 -5.404 1.00 0.00 H new ATOM 988 N GLU A 65 3.528 -5.782 -10.762 1.00 0.00 N ATOM 989 CA GLU A 65 2.891 -6.613 -11.745 1.00 0.00 C ATOM 990 C GLU A 65 2.389 -7.947 -11.195 1.00 0.00 C ATOM 991 O GLU A 65 1.655 -8.643 -11.894 1.00 0.00 O ATOM 992 CB GLU A 65 3.931 -6.793 -12.837 1.00 0.00 C ATOM 993 CG GLU A 65 5.118 -7.674 -12.457 1.00 0.00 C ATOM 994 CD GLU A 65 5.999 -7.979 -13.667 1.00 0.00 C ATOM 995 OE1 GLU A 65 6.159 -7.114 -14.558 1.00 0.00 O ATOM 996 OE2 GLU A 65 6.476 -9.129 -13.767 1.00 0.00 O ATOM 0 H GLU A 65 4.511 -6.019 -10.630 1.00 0.00 H new ATOM 0 HA GLU A 65 1.980 -6.143 -12.116 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.445 -7.222 -13.714 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.305 -5.811 -13.128 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.711 -7.176 -11.690 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.756 -8.607 -12.025 1.00 0.00 H new ATOM 1003 N THR A 66 2.748 -8.299 -9.959 1.00 0.00 N ATOM 1004 CA THR A 66 2.327 -9.547 -9.327 1.00 0.00 C ATOM 1005 C THR A 66 1.563 -9.261 -8.030 1.00 0.00 C ATOM 1006 O THR A 66 0.796 -10.110 -7.572 1.00 0.00 O ATOM 1007 CB THR A 66 3.557 -10.464 -9.182 1.00 0.00 C ATOM 1008 OG1 THR A 66 3.210 -11.831 -9.011 1.00 0.00 O ATOM 1009 CG2 THR A 66 4.552 -10.002 -8.120 1.00 0.00 C ATOM 0 H THR A 66 3.343 -7.721 -9.366 1.00 0.00 H new ATOM 0 HA THR A 66 1.612 -10.090 -9.945 1.00 0.00 H new ATOM 0 HB THR A 66 4.074 -10.379 -10.138 1.00 0.00 H new ATOM 0 HG1 THR A 66 4.026 -12.367 -8.926 1.00 0.00 H new ATOM 0 HG21 THR A 66 5.389 -10.699 -8.078 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.920 -9.008 -8.374 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.058 -9.969 -7.149 1.00 0.00 H new ATOM 1017 N LEU A 67 1.727 -8.070 -7.445 1.00 0.00 N ATOM 1018 CA LEU A 67 1.035 -7.703 -6.220 1.00 0.00 C ATOM 1019 C LEU A 67 -0.414 -7.336 -6.529 1.00 0.00 C ATOM 1020 O LEU A 67 -0.733 -6.804 -7.601 1.00 0.00 O ATOM 1021 CB LEU A 67 1.729 -6.507 -5.544 1.00 0.00 C ATOM 1022 CG LEU A 67 3.137 -6.823 -5.004 1.00 0.00 C ATOM 1023 CD1 LEU A 67 3.768 -5.542 -4.445 1.00 0.00 C ATOM 1024 CD2 LEU A 67 3.108 -7.917 -3.937 1.00 0.00 C ATOM 0 H LEU A 67 2.341 -7.342 -7.810 1.00 0.00 H new ATOM 0 HA LEU A 67 1.060 -8.557 -5.544 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.801 -5.689 -6.261 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.106 -6.156 -4.721 1.00 0.00 H new ATOM 0 HG LEU A 67 3.741 -7.199 -5.829 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.764 -5.764 -4.063 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.841 -4.797 -5.237 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.148 -5.153 -3.637 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.121 -8.108 -3.584 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.488 -7.594 -3.101 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.694 -8.831 -4.364 1.00 0.00 H new ATOM 1036 N LYS A 68 -1.303 -7.624 -5.579 1.00 0.00 N ATOM 1037 CA LYS A 68 -2.721 -7.314 -5.702 1.00 0.00 C ATOM 1038 C LYS A 68 -2.869 -5.792 -5.684 1.00 0.00 C ATOM 1039 O LYS A 68 -2.113 -5.130 -4.968 1.00 0.00 O ATOM 1040 CB LYS A 68 -3.497 -7.895 -4.510 1.00 0.00 C ATOM 1041 CG LYS A 68 -3.825 -9.384 -4.665 1.00 0.00 C ATOM 1042 CD LYS A 68 -4.329 -10.021 -3.360 1.00 0.00 C ATOM 1043 CE LYS A 68 -3.239 -10.130 -2.284 1.00 0.00 C ATOM 1044 NZ LYS A 68 -2.316 -11.258 -2.511 1.00 0.00 N ATOM 0 H LYS A 68 -1.056 -8.080 -4.701 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.114 -7.742 -6.624 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.913 -7.752 -3.601 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.425 -7.337 -4.383 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.582 -9.506 -5.440 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -2.935 -9.914 -5.003 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.158 -9.430 -2.971 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -4.720 -11.016 -3.575 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -2.669 -9.201 -2.257 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -3.710 -10.244 -1.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -1.347 -10.968 -2.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -2.596 -12.062 -1.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -2.353 -11.541 -3.511 1.00 0.00 H new ATOM 1058 N PRO A 69 -3.867 -5.224 -6.378 1.00 0.00 N ATOM 1059 CA PRO A 69 -4.084 -3.782 -6.393 1.00 0.00 C ATOM 1060 C PRO A 69 -4.326 -3.269 -4.971 1.00 0.00 C ATOM 1061 O PRO A 69 -3.798 -2.230 -4.576 1.00 0.00 O ATOM 1062 CB PRO A 69 -5.281 -3.554 -7.320 1.00 0.00 C ATOM 1063 CG PRO A 69 -5.974 -4.914 -7.385 1.00 0.00 C ATOM 1064 CD PRO A 69 -4.820 -5.894 -7.241 1.00 0.00 C ATOM 0 HA PRO A 69 -3.218 -3.230 -6.758 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -5.948 -2.786 -6.927 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -4.961 -3.223 -8.308 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -6.706 -5.032 -6.586 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -6.505 -5.052 -8.327 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -5.154 -6.836 -6.805 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -4.379 -6.130 -8.209 1.00 0.00 H new ATOM 1072 N SER A 70 -5.051 -4.042 -4.157 1.00 0.00 N ATOM 1073 CA SER A 70 -5.346 -3.666 -2.784 1.00 0.00 C ATOM 1074 C SER A 70 -4.069 -3.630 -1.927 1.00 0.00 C ATOM 1075 O SER A 70 -4.037 -2.907 -0.936 1.00 0.00 O ATOM 1076 CB SER A 70 -6.436 -4.582 -2.213 1.00 0.00 C ATOM 1077 OG SER A 70 -7.432 -4.831 -3.202 1.00 0.00 O ATOM 0 H SER A 70 -5.445 -4.940 -4.436 1.00 0.00 H new ATOM 0 HA SER A 70 -5.740 -2.650 -2.766 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.996 -5.523 -1.884 1.00 0.00 H new ATOM 0 HB3 SER A 70 -6.890 -4.119 -1.337 1.00 0.00 H new ATOM 0 HG SER A 70 -8.123 -5.418 -2.830 1.00 0.00 H new ATOM 1083 N THR A 71 -3.010 -4.385 -2.260 1.00 0.00 N ATOM 1084 CA THR A 71 -1.763 -4.338 -1.497 1.00 0.00 C ATOM 1085 C THR A 71 -1.189 -2.934 -1.705 1.00 0.00 C ATOM 1086 O THR A 71 -0.838 -2.249 -0.744 1.00 0.00 O ATOM 1087 CB THR A 71 -0.791 -5.429 -1.989 1.00 0.00 C ATOM 1088 OG1 THR A 71 -1.416 -6.690 -1.850 1.00 0.00 O ATOM 1089 CG2 THR A 71 0.534 -5.445 -1.225 1.00 0.00 C ATOM 0 H THR A 71 -2.997 -5.031 -3.049 1.00 0.00 H new ATOM 0 HA THR A 71 -1.929 -4.530 -0.437 1.00 0.00 H new ATOM 0 HB THR A 71 -0.557 -5.208 -3.030 1.00 0.00 H new ATOM 0 HG1 THR A 71 -0.808 -7.393 -2.161 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.172 -6.235 -1.620 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.033 -4.483 -1.342 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.342 -5.628 -0.168 1.00 0.00 H new ATOM 1097 N LEU A 72 -1.162 -2.476 -2.963 1.00 0.00 N ATOM 1098 CA LEU A 72 -0.653 -1.163 -3.340 1.00 0.00 C ATOM 1099 C LEU A 72 -1.437 -0.067 -2.631 1.00 0.00 C ATOM 1100 O LEU A 72 -0.851 0.939 -2.254 1.00 0.00 O ATOM 1101 CB LEU A 72 -0.661 -0.973 -4.863 1.00 0.00 C ATOM 1102 CG LEU A 72 -0.069 -2.144 -5.668 1.00 0.00 C ATOM 1103 CD1 LEU A 72 -0.128 -1.813 -7.156 1.00 0.00 C ATOM 1104 CD2 LEU A 72 1.362 -2.488 -5.237 1.00 0.00 C ATOM 0 H LEU A 72 -1.500 -3.021 -3.756 1.00 0.00 H new ATOM 0 HA LEU A 72 0.387 -1.095 -3.019 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.689 -0.811 -5.188 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.104 -0.068 -5.104 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.669 -3.031 -5.466 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.290 -2.640 -7.730 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.165 -1.654 -7.452 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.448 -0.908 -7.351 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.732 -3.320 -5.836 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.005 -1.620 -5.385 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.367 -2.768 -4.184 1.00 0.00 H new ATOM 1116 N ARG A 73 -2.739 -0.249 -2.384 1.00 0.00 N ATOM 1117 CA ARG A 73 -3.523 0.763 -1.684 1.00 0.00 C ATOM 1118 C ARG A 73 -3.016 0.998 -0.261 1.00 0.00 C ATOM 1119 O ARG A 73 -3.187 2.116 0.231 1.00 0.00 O ATOM 1120 CB ARG A 73 -5.020 0.406 -1.712 1.00 0.00 C ATOM 1121 CG ARG A 73 -5.726 0.836 -3.006 1.00 0.00 C ATOM 1122 CD ARG A 73 -5.504 2.325 -3.304 1.00 0.00 C ATOM 1123 NE ARG A 73 -6.614 2.923 -4.048 1.00 0.00 N ATOM 1124 CZ ARG A 73 -7.611 3.639 -3.517 1.00 0.00 C ATOM 1125 NH1 ARG A 73 -7.734 3.764 -2.196 1.00 0.00 N ATOM 1126 NH2 ARG A 73 -8.468 4.247 -4.329 1.00 0.00 N ATOM 0 H ARG A 73 -3.264 -1.080 -2.657 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.396 1.707 -2.214 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -5.131 -0.671 -1.587 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -5.514 0.878 -0.863 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -5.355 0.239 -3.839 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -6.794 0.637 -2.922 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.369 2.863 -2.366 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -4.583 2.444 -3.875 1.00 0.00 H new ATOM 0 HE ARG A 73 -6.628 2.781 -5.058 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -7.063 3.311 -1.576 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -8.499 4.313 -1.805 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -8.360 4.164 -5.340 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -9.235 4.797 -3.942 1.00 0.00 H new ATOM 1140 N GLU A 74 -2.413 0.003 0.395 1.00 0.00 N ATOM 1141 CA GLU A 74 -1.881 0.194 1.742 1.00 0.00 C ATOM 1142 C GLU A 74 -0.501 0.862 1.639 1.00 0.00 C ATOM 1143 O GLU A 74 -0.107 1.614 2.533 1.00 0.00 O ATOM 1144 CB GLU A 74 -1.819 -1.138 2.507 1.00 0.00 C ATOM 1145 CG GLU A 74 -3.216 -1.757 2.637 1.00 0.00 C ATOM 1146 CD GLU A 74 -3.325 -2.857 3.695 1.00 0.00 C ATOM 1147 OE1 GLU A 74 -3.029 -2.603 4.885 1.00 0.00 O ATOM 1148 OE2 GLU A 74 -3.831 -3.952 3.365 1.00 0.00 O ATOM 0 H GLU A 74 -2.283 -0.935 0.017 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.545 0.845 2.311 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.156 -1.830 1.988 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.395 -0.974 3.498 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.929 -0.968 2.876 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.509 -2.169 1.671 1.00 0.00 H new ATOM 1155 N LEU A 75 0.240 0.610 0.551 1.00 0.00 N ATOM 1156 CA LEU A 75 1.558 1.198 0.320 1.00 0.00 C ATOM 1157 C LEU A 75 1.402 2.689 -0.008 1.00 0.00 C ATOM 1158 O LEU A 75 2.170 3.500 0.513 1.00 0.00 O ATOM 1159 CB LEU A 75 2.317 0.478 -0.815 1.00 0.00 C ATOM 1160 CG LEU A 75 2.506 -1.043 -0.685 1.00 0.00 C ATOM 1161 CD1 LEU A 75 3.216 -1.597 -1.925 1.00 0.00 C ATOM 1162 CD2 LEU A 75 3.302 -1.423 0.558 1.00 0.00 C ATOM 0 H LEU A 75 -0.065 -0.013 -0.197 1.00 0.00 H new ATOM 0 HA LEU A 75 2.147 1.080 1.230 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.791 0.674 -1.749 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.303 0.934 -0.903 1.00 0.00 H new ATOM 0 HG LEU A 75 1.511 -1.479 -0.595 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.344 -2.674 -1.820 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.617 -1.387 -2.811 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.193 -1.124 -2.027 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.408 -2.507 0.605 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.289 -0.963 0.512 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.779 -1.071 1.447 1.00 0.00 H new ATOM 1174 N GLU A 76 0.400 3.057 -0.820 1.00 0.00 N ATOM 1175 CA GLU A 76 0.115 4.437 -1.223 1.00 0.00 C ATOM 1176 C GLU A 76 -0.201 5.280 0.014 1.00 0.00 C ATOM 1177 O GLU A 76 0.186 6.446 0.107 1.00 0.00 O ATOM 1178 CB GLU A 76 -1.039 4.485 -2.246 1.00 0.00 C ATOM 1179 CG GLU A 76 -1.398 5.941 -2.602 1.00 0.00 C ATOM 1180 CD GLU A 76 -2.347 6.123 -3.792 1.00 0.00 C ATOM 1181 OE1 GLU A 76 -2.976 5.145 -4.249 1.00 0.00 O ATOM 1182 OE2 GLU A 76 -2.476 7.286 -4.255 1.00 0.00 O ATOM 0 H GLU A 76 -0.250 2.383 -1.224 1.00 0.00 H new ATOM 0 HA GLU A 76 0.996 4.854 -1.711 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.753 3.946 -3.149 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.914 3.980 -1.837 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.850 6.408 -1.727 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.475 6.482 -2.812 1.00 0.00 H new ATOM 1189 N ARG A 77 -0.922 4.682 0.961 1.00 0.00 N ATOM 1190 CA ARG A 77 -1.313 5.308 2.208 1.00 0.00 C ATOM 1191 C ARG A 77 -0.069 5.678 3.004 1.00 0.00 C ATOM 1192 O ARG A 77 0.045 6.819 3.459 1.00 0.00 O ATOM 1193 CB ARG A 77 -2.221 4.341 2.984 1.00 0.00 C ATOM 1194 CG ARG A 77 -3.699 4.603 2.697 1.00 0.00 C ATOM 1195 CD ARG A 77 -4.618 3.641 3.462 1.00 0.00 C ATOM 1196 NE ARG A 77 -4.487 3.742 4.924 1.00 0.00 N ATOM 1197 CZ ARG A 77 -4.980 4.706 5.709 1.00 0.00 C ATOM 1198 NH1 ARG A 77 -5.658 5.724 5.195 1.00 0.00 N ATOM 1199 NH2 ARG A 77 -4.794 4.652 7.021 1.00 0.00 N ATOM 0 H ARG A 77 -1.256 3.722 0.873 1.00 0.00 H new ATOM 0 HA ARG A 77 -1.870 6.226 2.020 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -1.974 3.314 2.715 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -2.034 4.444 4.053 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -3.944 5.630 2.969 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -3.883 4.504 1.627 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -5.653 3.841 3.183 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -4.397 2.619 3.155 1.00 0.00 H new ATOM 0 HE ARG A 77 -3.965 2.998 5.388 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -5.810 5.779 4.188 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -6.028 6.451 5.807 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -4.275 3.875 7.431 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -5.170 5.387 7.620 1.00 0.00 H new ATOM 1213 N TYR A 78 0.880 4.749 3.130 1.00 0.00 N ATOM 1214 CA TYR A 78 2.106 4.982 3.869 1.00 0.00 C ATOM 1215 C TYR A 78 2.928 6.110 3.249 1.00 0.00 C ATOM 1216 O TYR A 78 3.278 7.052 3.967 1.00 0.00 O ATOM 1217 CB TYR A 78 2.928 3.697 4.003 1.00 0.00 C ATOM 1218 CG TYR A 78 4.188 3.907 4.817 1.00 0.00 C ATOM 1219 CD1 TYR A 78 4.081 4.269 6.174 1.00 0.00 C ATOM 1220 CD2 TYR A 78 5.456 3.817 4.212 1.00 0.00 C ATOM 1221 CE1 TYR A 78 5.237 4.538 6.922 1.00 0.00 C ATOM 1222 CE2 TYR A 78 6.619 4.062 4.965 1.00 0.00 C ATOM 1223 CZ TYR A 78 6.512 4.412 6.327 1.00 0.00 C ATOM 1224 OH TYR A 78 7.631 4.630 7.067 1.00 0.00 O ATOM 0 H TYR A 78 0.813 3.817 2.720 1.00 0.00 H new ATOM 0 HA TYR A 78 1.827 5.299 4.874 1.00 0.00 H new ATOM 0 HB2 TYR A 78 2.318 2.925 4.473 1.00 0.00 H new ATOM 0 HB3 TYR A 78 3.195 3.333 3.011 1.00 0.00 H new ATOM 0 HD1 TYR A 78 3.109 4.340 6.639 1.00 0.00 H new ATOM 0 HD2 TYR A 78 5.536 3.559 3.166 1.00 0.00 H new ATOM 0 HE1 TYR A 78 5.152 4.842 7.955 1.00 0.00 H new ATOM 0 HE2 TYR A 78 7.591 3.982 4.501 1.00 0.00 H new ATOM 0 HH TYR A 78 8.424 4.501 6.506 1.00 0.00 H new ATOM 1234 N VAL A 79 3.220 6.062 1.940 1.00 0.00 N ATOM 1235 CA VAL A 79 3.999 7.130 1.317 1.00 0.00 C ATOM 1236 C VAL A 79 3.259 8.458 1.457 1.00 0.00 C ATOM 1237 O VAL A 79 3.884 9.459 1.801 1.00 0.00 O ATOM 1238 CB VAL A 79 4.403 6.824 -0.138 1.00 0.00 C ATOM 1239 CG1 VAL A 79 5.276 5.570 -0.212 1.00 0.00 C ATOM 1240 CG2 VAL A 79 3.247 6.646 -1.126 1.00 0.00 C ATOM 0 H VAL A 79 2.934 5.313 1.310 1.00 0.00 H new ATOM 0 HA VAL A 79 4.946 7.205 1.851 1.00 0.00 H new ATOM 0 HB VAL A 79 4.945 7.719 -0.442 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.547 5.376 -1.250 1.00 0.00 H new ATOM 0 HG12 VAL A 79 6.180 5.721 0.377 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.723 4.718 0.184 1.00 0.00 H new ATOM 0 HG21 VAL A 79 3.646 6.435 -2.118 1.00 0.00 H new ATOM 0 HG22 VAL A 79 2.617 5.817 -0.804 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.654 7.560 -1.160 1.00 0.00 H new ATOM 1250 N THR A 80 1.937 8.479 1.271 1.00 0.00 N ATOM 1251 CA THR A 80 1.188 9.715 1.405 1.00 0.00 C ATOM 1252 C THR A 80 1.215 10.191 2.866 1.00 0.00 C ATOM 1253 O THR A 80 1.100 11.383 3.091 1.00 0.00 O ATOM 1254 CB THR A 80 -0.244 9.533 0.870 1.00 0.00 C ATOM 1255 OG1 THR A 80 -0.206 9.107 -0.482 1.00 0.00 O ATOM 1256 CG2 THR A 80 -1.061 10.828 0.945 1.00 0.00 C ATOM 0 H THR A 80 1.376 7.662 1.031 1.00 0.00 H new ATOM 0 HA THR A 80 1.656 10.494 0.802 1.00 0.00 H new ATOM 0 HB THR A 80 -0.724 8.784 1.500 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.082 8.135 -0.515 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.063 10.649 0.556 1.00 0.00 H new ATOM 0 HG22 THR A 80 -1.127 11.157 1.982 1.00 0.00 H new ATOM 0 HG23 THR A 80 -0.574 11.600 0.350 1.00 0.00 H new ATOM 1264 N SER A 81 1.386 9.335 3.872 1.00 0.00 N ATOM 1265 CA SER A 81 1.420 9.807 5.250 1.00 0.00 C ATOM 1266 C SER A 81 2.795 10.378 5.591 1.00 0.00 C ATOM 1267 O SER A 81 2.893 11.460 6.171 1.00 0.00 O ATOM 1268 CB SER A 81 1.107 8.660 6.206 1.00 0.00 C ATOM 1269 OG SER A 81 -0.222 8.207 6.044 1.00 0.00 O ATOM 0 H SER A 81 1.501 8.328 3.760 1.00 0.00 H new ATOM 0 HA SER A 81 0.670 10.591 5.357 1.00 0.00 H new ATOM 0 HB2 SER A 81 1.799 7.836 6.029 1.00 0.00 H new ATOM 0 HB3 SER A 81 1.259 8.988 7.234 1.00 0.00 H new ATOM 0 HG SER A 81 -0.299 7.712 5.202 1.00 0.00 H new ATOM 1275 N CYS A 82 3.867 9.653 5.258 1.00 0.00 N ATOM 1276 CA CYS A 82 5.214 10.104 5.561 1.00 0.00 C ATOM 1277 C CYS A 82 5.612 11.300 4.699 1.00 0.00 C ATOM 1278 O CYS A 82 6.136 12.282 5.219 1.00 0.00 O ATOM 1279 CB CYS A 82 6.213 8.952 5.368 1.00 0.00 C ATOM 1280 SG CYS A 82 7.816 9.411 6.098 1.00 0.00 S ATOM 0 H CYS A 82 3.821 8.753 4.779 1.00 0.00 H new ATOM 0 HA CYS A 82 5.233 10.425 6.603 1.00 0.00 H new ATOM 0 HB2 CYS A 82 5.834 8.045 5.838 1.00 0.00 H new ATOM 0 HB3 CYS A 82 6.333 8.735 4.307 1.00 0.00 H new ATOM 0 HG CYS A 82 8.661 8.436 5.937 1.00 0.00 H new ATOM 1286 N LEU A 83 5.396 11.218 3.388 1.00 0.00 N ATOM 1287 CA LEU A 83 5.763 12.261 2.443 1.00 0.00 C ATOM 1288 C LEU A 83 4.679 13.319 2.328 1.00 0.00 C ATOM 1289 O LEU A 83 4.992 14.501 2.419 1.00 0.00 O ATOM 1290 CB LEU A 83 6.055 11.664 1.056 1.00 0.00 C ATOM 1291 CG LEU A 83 6.941 10.402 1.044 1.00 0.00 C ATOM 1292 CD1 LEU A 83 6.941 9.842 -0.373 1.00 0.00 C ATOM 1293 CD2 LEU A 83 8.375 10.668 1.506 1.00 0.00 C ATOM 0 H LEU A 83 4.954 10.410 2.949 1.00 0.00 H new ATOM 0 HA LEU A 83 6.666 12.737 2.825 1.00 0.00 H new ATOM 0 HB2 LEU A 83 5.106 11.424 0.577 1.00 0.00 H new ATOM 0 HB3 LEU A 83 6.535 12.429 0.446 1.00 0.00 H new ATOM 0 HG LEU A 83 6.526 9.687 1.754 1.00 0.00 H new ATOM 0 HD11 LEU A 83 7.562 8.947 -0.410 1.00 0.00 H new ATOM 0 HD12 LEU A 83 5.922 9.589 -0.664 1.00 0.00 H new ATOM 0 HD13 LEU A 83 7.340 10.589 -1.059 1.00 0.00 H new ATOM 0 HD21 LEU A 83 8.946 9.740 1.474 1.00 0.00 H new ATOM 0 HD22 LEU A 83 8.839 11.402 0.847 1.00 0.00 H new ATOM 0 HD23 LEU A 83 8.363 11.052 2.526 1.00 0.00 H new