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 37 LYS NZ :NH3+ -148:sc= 0.68 (180deg=0) USER MOD Set 1.2: A 82 CYS SG : rot 180:sc= 0.585 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 164:sc= 0 (180deg=-0.0604) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0.367 USER MOD Single : A 23 LYS NZ :NH3+ -137:sc= 0.0181 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 1.05 K(o=1.1,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 1.17 K(o=1.2,f=-0.0031) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 46 GLN : amide:sc= 0.319 X(o=0.32,f=-0.13) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0.0116 USER MOD Single : A 53 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.293) USER MOD Single : A 54 ASN : amide:sc= -0.0486 X(o=-0.049,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -2.04 K(o=-2,f=-2.7!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= -0.0066 USER MOD Single : A 71 THR OG1 : rot -172:sc= 0.0591 USER MOD Single : A 78 TYR OH : rot 130:sc= 0 USER MOD Single : A 80 THR OG1 : rot 76:sc= 0.525 USER MOD Single : A 81 SER OG : rot 77:sc= 0.564 USER MOD ----------------------------------------------------------------- ATOM 182 N LYS A 16 -9.647 0.250 -4.782 1.00 0.00 N ATOM 183 CA LYS A 16 -9.648 0.559 -6.214 1.00 0.00 C ATOM 184 C LYS A 16 -8.458 -0.157 -6.878 1.00 0.00 C ATOM 185 O LYS A 16 -7.511 -0.543 -6.187 1.00 0.00 O ATOM 186 CB LYS A 16 -9.482 2.079 -6.445 1.00 0.00 C ATOM 187 CG LYS A 16 -10.798 2.820 -6.730 1.00 0.00 C ATOM 188 CD LYS A 16 -10.537 4.138 -7.480 1.00 0.00 C ATOM 189 CE LYS A 16 -10.449 3.941 -9.006 1.00 0.00 C ATOM 190 NZ LYS A 16 -9.473 4.844 -9.648 1.00 0.00 N ATOM 0 HA LYS A 16 -10.595 0.229 -6.641 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.013 2.520 -5.565 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -8.801 2.236 -7.282 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -11.456 2.185 -7.322 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -11.314 3.027 -5.792 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -11.335 4.845 -7.254 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -9.608 4.580 -7.120 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -10.174 2.908 -9.218 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -11.433 4.106 -9.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -9.457 4.666 -10.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -9.746 5.832 -9.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -8.527 4.671 -9.252 1.00 0.00 H new ATOM 204 N PRO A 17 -8.482 -0.335 -8.210 1.00 0.00 N ATOM 205 CA PRO A 17 -7.392 -0.964 -8.942 1.00 0.00 C ATOM 206 C PRO A 17 -6.197 0.003 -8.998 1.00 0.00 C ATOM 207 O PRO A 17 -6.300 1.158 -8.581 1.00 0.00 O ATOM 208 CB PRO A 17 -7.957 -1.234 -10.338 1.00 0.00 C ATOM 209 CG PRO A 17 -8.950 -0.091 -10.528 1.00 0.00 C ATOM 210 CD PRO A 17 -9.537 0.062 -9.131 1.00 0.00 C ATOM 0 HA PRO A 17 -7.037 -1.884 -8.478 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -7.177 -1.223 -11.099 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -8.445 -2.207 -10.396 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -8.460 0.822 -10.866 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -9.714 -0.334 -11.266 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -9.848 1.091 -8.949 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -10.420 -0.565 -9.007 1.00 0.00 H new ATOM 218 N MET A 18 -5.061 -0.456 -9.525 1.00 0.00 N ATOM 219 CA MET A 18 -3.840 0.327 -9.654 1.00 0.00 C ATOM 220 C MET A 18 -3.229 0.039 -11.018 1.00 0.00 C ATOM 221 O MET A 18 -2.788 -1.083 -11.288 1.00 0.00 O ATOM 222 CB MET A 18 -2.848 -0.023 -8.545 1.00 0.00 C ATOM 223 CG MET A 18 -3.375 0.300 -7.141 1.00 0.00 C ATOM 224 SD MET A 18 -3.359 2.046 -6.651 1.00 0.00 S ATOM 225 CE MET A 18 -1.832 2.071 -5.673 1.00 0.00 C ATOM 0 H MET A 18 -4.966 -1.407 -9.882 1.00 0.00 H new ATOM 0 HA MET A 18 -4.075 1.387 -9.563 1.00 0.00 H new ATOM 0 HB2 MET A 18 -2.609 -1.085 -8.601 1.00 0.00 H new ATOM 0 HB3 MET A 18 -1.919 0.522 -8.712 1.00 0.00 H new ATOM 0 HG2 MET A 18 -4.400 -0.065 -7.069 1.00 0.00 H new ATOM 0 HG3 MET A 18 -2.785 -0.263 -6.418 1.00 0.00 H new ATOM 0 HE1 MET A 18 -1.509 3.102 -5.529 1.00 0.00 H new ATOM 0 HE2 MET A 18 -2.014 1.609 -4.703 1.00 0.00 H new ATOM 0 HE3 MET A 18 -1.054 1.517 -6.199 1.00 0.00 H new ATOM 235 N SER A 19 -3.266 1.047 -11.875 1.00 0.00 N ATOM 236 CA SER A 19 -2.746 1.024 -13.233 1.00 0.00 C ATOM 237 C SER A 19 -1.218 1.111 -13.204 1.00 0.00 C ATOM 238 O SER A 19 -0.622 1.390 -12.161 1.00 0.00 O ATOM 239 CB SER A 19 -3.359 2.210 -13.991 1.00 0.00 C ATOM 240 OG SER A 19 -3.199 2.080 -15.386 1.00 0.00 O ATOM 0 H SER A 19 -3.679 1.947 -11.631 1.00 0.00 H new ATOM 0 HA SER A 19 -3.011 0.095 -13.738 1.00 0.00 H new ATOM 0 HB2 SER A 19 -4.420 2.284 -13.752 1.00 0.00 H new ATOM 0 HB3 SER A 19 -2.891 3.136 -13.656 1.00 0.00 H new ATOM 0 HG SER A 19 -3.603 2.852 -15.835 1.00 0.00 H new ATOM 246 N TYR A 20 -0.567 0.910 -14.351 1.00 0.00 N ATOM 247 CA TYR A 20 0.888 0.978 -14.472 1.00 0.00 C ATOM 248 C TYR A 20 1.415 2.337 -14.011 1.00 0.00 C ATOM 249 O TYR A 20 2.427 2.416 -13.319 1.00 0.00 O ATOM 250 CB TYR A 20 1.283 0.742 -15.930 1.00 0.00 C ATOM 251 CG TYR A 20 2.745 0.985 -16.247 1.00 0.00 C ATOM 252 CD1 TYR A 20 3.702 0.002 -15.945 1.00 0.00 C ATOM 253 CD2 TYR A 20 3.150 2.197 -16.841 1.00 0.00 C ATOM 254 CE1 TYR A 20 5.053 0.221 -16.250 1.00 0.00 C ATOM 255 CE2 TYR A 20 4.506 2.427 -17.132 1.00 0.00 C ATOM 256 CZ TYR A 20 5.467 1.438 -16.838 1.00 0.00 C ATOM 257 OH TYR A 20 6.792 1.635 -17.107 1.00 0.00 O ATOM 0 H TYR A 20 -1.040 0.694 -15.229 1.00 0.00 H new ATOM 0 HA TYR A 20 1.326 0.209 -13.836 1.00 0.00 H new ATOM 0 HB2 TYR A 20 1.036 -0.286 -16.196 1.00 0.00 H new ATOM 0 HB3 TYR A 20 0.677 1.390 -16.564 1.00 0.00 H new ATOM 0 HD1 TYR A 20 3.397 -0.923 -15.478 1.00 0.00 H new ATOM 0 HD2 TYR A 20 2.415 2.953 -17.074 1.00 0.00 H new ATOM 0 HE1 TYR A 20 5.782 -0.546 -16.034 1.00 0.00 H new ATOM 0 HE2 TYR A 20 4.811 3.361 -17.581 1.00 0.00 H new ATOM 0 HH TYR A 20 6.916 2.519 -17.511 1.00 0.00 H new ATOM 267 N GLU A 21 0.720 3.411 -14.385 1.00 0.00 N ATOM 268 CA GLU A 21 1.098 4.774 -14.035 1.00 0.00 C ATOM 269 C GLU A 21 1.097 4.942 -12.516 1.00 0.00 C ATOM 270 O GLU A 21 1.990 5.579 -11.961 1.00 0.00 O ATOM 271 CB GLU A 21 0.117 5.751 -14.699 1.00 0.00 C ATOM 272 CG GLU A 21 0.262 5.753 -16.230 1.00 0.00 C ATOM 273 CD GLU A 21 -0.918 6.463 -16.894 1.00 0.00 C ATOM 274 OE1 GLU A 21 -1.990 5.824 -16.995 1.00 0.00 O ATOM 275 OE2 GLU A 21 -0.746 7.639 -17.304 1.00 0.00 O ATOM 0 H GLU A 21 -0.130 3.355 -14.946 1.00 0.00 H new ATOM 0 HA GLU A 21 2.105 4.986 -14.395 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.904 5.479 -14.431 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.290 6.757 -14.316 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.192 6.248 -16.510 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.325 4.727 -16.594 1.00 0.00 H new ATOM 282 N GLU A 22 0.100 4.368 -11.841 1.00 0.00 N ATOM 283 CA GLU A 22 -0.032 4.440 -10.395 1.00 0.00 C ATOM 284 C GLU A 22 1.048 3.602 -9.734 1.00 0.00 C ATOM 285 O GLU A 22 1.663 4.045 -8.765 1.00 0.00 O ATOM 286 CB GLU A 22 -1.429 3.966 -9.976 1.00 0.00 C ATOM 287 CG GLU A 22 -2.500 4.959 -10.435 1.00 0.00 C ATOM 288 CD GLU A 22 -2.311 6.348 -9.816 1.00 0.00 C ATOM 289 OE1 GLU A 22 -1.858 6.441 -8.654 1.00 0.00 O ATOM 290 OE2 GLU A 22 -2.656 7.364 -10.466 1.00 0.00 O ATOM 0 H GLU A 22 -0.644 3.836 -12.293 1.00 0.00 H new ATOM 0 HA GLU A 22 0.092 5.473 -10.070 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.629 2.984 -10.405 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.470 3.854 -8.893 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.474 5.042 -11.522 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.485 4.576 -10.168 1.00 0.00 H new ATOM 297 N LYS A 23 1.301 2.405 -10.269 1.00 0.00 N ATOM 298 CA LYS A 23 2.321 1.505 -9.753 1.00 0.00 C ATOM 299 C LYS A 23 3.682 2.193 -9.793 1.00 0.00 C ATOM 300 O LYS A 23 4.445 2.121 -8.829 1.00 0.00 O ATOM 301 CB LYS A 23 2.355 0.228 -10.598 1.00 0.00 C ATOM 302 CG LYS A 23 1.137 -0.664 -10.345 1.00 0.00 C ATOM 303 CD LYS A 23 0.950 -1.649 -11.496 1.00 0.00 C ATOM 304 CE LYS A 23 -0.007 -2.763 -11.073 1.00 0.00 C ATOM 305 NZ LYS A 23 0.033 -3.930 -11.974 1.00 0.00 N ATOM 0 H LYS A 23 0.798 2.036 -11.076 1.00 0.00 H new ATOM 0 HA LYS A 23 2.085 1.244 -8.721 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.396 0.494 -11.654 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.265 -0.330 -10.375 1.00 0.00 H new ATOM 0 HG2 LYS A 23 1.265 -1.208 -9.409 1.00 0.00 H new ATOM 0 HG3 LYS A 23 0.244 -0.049 -10.236 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.556 -1.131 -12.370 1.00 0.00 H new ATOM 0 HD3 LYS A 23 1.912 -2.073 -11.784 1.00 0.00 H new ATOM 0 HE2 LYS A 23 0.242 -3.083 -10.061 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.023 -2.369 -11.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -0.936 -4.259 -12.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 0.484 -3.660 -12.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 0.579 -4.694 -11.528 1.00 0.00 H new ATOM 319 N ARG A 24 3.996 2.835 -10.919 1.00 0.00 N ATOM 320 CA ARG A 24 5.245 3.546 -11.128 1.00 0.00 C ATOM 321 C ARG A 24 5.298 4.745 -10.191 1.00 0.00 C ATOM 322 O ARG A 24 6.328 4.926 -9.547 1.00 0.00 O ATOM 323 CB ARG A 24 5.369 3.919 -12.610 1.00 0.00 C ATOM 324 CG ARG A 24 5.684 2.686 -13.483 1.00 0.00 C ATOM 325 CD ARG A 24 7.164 2.271 -13.436 1.00 0.00 C ATOM 326 NE ARG A 24 7.412 1.037 -14.210 1.00 0.00 N ATOM 327 CZ ARG A 24 7.731 -0.173 -13.724 1.00 0.00 C ATOM 328 NH1 ARG A 24 7.981 -0.342 -12.431 1.00 0.00 N ATOM 329 NH2 ARG A 24 7.794 -1.224 -14.533 1.00 0.00 N ATOM 0 H ARG A 24 3.372 2.872 -11.725 1.00 0.00 H new ATOM 0 HA ARG A 24 6.105 2.921 -10.888 1.00 0.00 H new ATOM 0 HB2 ARG A 24 4.440 4.378 -12.949 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.156 4.663 -12.734 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.068 1.849 -13.154 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.406 2.899 -14.515 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.781 3.078 -13.831 1.00 0.00 H new ATOM 0 HD3 ARG A 24 7.466 2.117 -12.400 1.00 0.00 H new ATOM 0 HE ARG A 24 7.332 1.113 -15.224 1.00 0.00 H new ATOM 0 HH11 ARG A 24 7.932 0.453 -11.794 1.00 0.00 H new ATOM 0 HH12 ARG A 24 8.222 -1.267 -12.075 1.00 0.00 H new ATOM 0 HH21 ARG A 24 7.600 -1.114 -15.528 1.00 0.00 H new ATOM 0 HH22 ARG A 24 8.037 -2.141 -14.159 1.00 0.00 H new ATOM 343 N GLN A 25 4.226 5.536 -10.066 1.00 0.00 N ATOM 344 CA GLN A 25 4.220 6.685 -9.155 1.00 0.00 C ATOM 345 C GLN A 25 4.549 6.206 -7.733 1.00 0.00 C ATOM 346 O GLN A 25 5.269 6.904 -7.013 1.00 0.00 O ATOM 347 CB GLN A 25 2.880 7.443 -9.224 1.00 0.00 C ATOM 348 CG GLN A 25 2.660 8.510 -8.127 1.00 0.00 C ATOM 349 CD GLN A 25 3.601 9.717 -8.225 1.00 0.00 C ATOM 350 OE1 GLN A 25 3.214 10.809 -8.642 1.00 0.00 O ATOM 351 NE2 GLN A 25 4.852 9.577 -7.822 1.00 0.00 N ATOM 0 H GLN A 25 3.356 5.402 -10.582 1.00 0.00 H new ATOM 0 HA GLN A 25 4.987 7.396 -9.461 1.00 0.00 H new ATOM 0 HB2 GLN A 25 2.807 7.928 -10.197 1.00 0.00 H new ATOM 0 HB3 GLN A 25 2.069 6.717 -9.168 1.00 0.00 H new ATOM 0 HG2 GLN A 25 1.630 8.862 -8.180 1.00 0.00 H new ATOM 0 HG3 GLN A 25 2.788 8.043 -7.151 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.178 8.675 -7.476 1.00 0.00 H new ATOM 0 HE22 GLN A 25 5.491 10.371 -7.857 1.00 0.00 H new ATOM 360 N LEU A 26 4.074 5.019 -7.338 1.00 0.00 N ATOM 361 CA LEU A 26 4.352 4.454 -6.023 1.00 0.00 C ATOM 362 C LEU A 26 5.868 4.302 -5.858 1.00 0.00 C ATOM 363 O LEU A 26 6.409 4.659 -4.818 1.00 0.00 O ATOM 364 CB LEU A 26 3.669 3.081 -5.869 1.00 0.00 C ATOM 365 CG LEU A 26 2.982 2.827 -4.520 1.00 0.00 C ATOM 366 CD1 LEU A 26 3.880 3.067 -3.304 1.00 0.00 C ATOM 367 CD2 LEU A 26 1.711 3.659 -4.392 1.00 0.00 C ATOM 0 H LEU A 26 3.486 4.427 -7.925 1.00 0.00 H new ATOM 0 HA LEU A 26 3.959 5.120 -5.255 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.926 2.974 -6.660 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.417 2.304 -6.027 1.00 0.00 H new ATOM 0 HG LEU A 26 2.737 1.765 -4.520 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.319 2.865 -2.392 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.744 2.404 -3.353 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.218 4.103 -3.300 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.242 3.462 -3.428 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.960 4.718 -4.464 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.020 3.394 -5.192 1.00 0.00 H new ATOM 379 N SER A 27 6.538 3.782 -6.891 1.00 0.00 N ATOM 380 CA SER A 27 7.979 3.565 -6.933 1.00 0.00 C ATOM 381 C SER A 27 8.709 4.892 -6.720 1.00 0.00 C ATOM 382 O SER A 27 9.659 4.958 -5.935 1.00 0.00 O ATOM 383 CB SER A 27 8.366 2.916 -8.271 1.00 0.00 C ATOM 384 OG SER A 27 9.643 2.320 -8.211 1.00 0.00 O ATOM 0 H SER A 27 6.071 3.492 -7.750 1.00 0.00 H new ATOM 0 HA SER A 27 8.275 2.888 -6.132 1.00 0.00 H new ATOM 0 HB2 SER A 27 7.625 2.163 -8.538 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.353 3.670 -9.058 1.00 0.00 H new ATOM 0 HG SER A 27 9.856 1.916 -9.078 1.00 0.00 H new ATOM 390 N LEU A 28 8.270 5.970 -7.378 1.00 0.00 N ATOM 391 CA LEU A 28 8.897 7.276 -7.231 1.00 0.00 C ATOM 392 C LEU A 28 8.856 7.718 -5.769 1.00 0.00 C ATOM 393 O LEU A 28 9.884 8.158 -5.253 1.00 0.00 O ATOM 394 CB LEU A 28 8.215 8.298 -8.152 1.00 0.00 C ATOM 395 CG LEU A 28 8.785 8.377 -9.576 1.00 0.00 C ATOM 396 CD1 LEU A 28 10.178 9.015 -9.598 1.00 0.00 C ATOM 397 CD2 LEU A 28 8.825 7.045 -10.332 1.00 0.00 C ATOM 0 H LEU A 28 7.478 5.957 -8.020 1.00 0.00 H new ATOM 0 HA LEU A 28 9.944 7.209 -7.528 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.154 8.055 -8.215 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.289 9.284 -7.693 1.00 0.00 H new ATOM 0 HG LEU A 28 8.074 9.013 -10.104 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.545 9.052 -10.624 1.00 0.00 H new ATOM 0 HD12 LEU A 28 10.121 10.027 -9.196 1.00 0.00 H new ATOM 0 HD13 LEU A 28 10.860 8.421 -8.990 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.243 7.203 -11.326 1.00 0.00 H new ATOM 0 HD22 LEU A 28 9.447 6.335 -9.786 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.814 6.647 -10.422 1.00 0.00 H new ATOM 409 N ASP A 29 7.704 7.605 -5.104 1.00 0.00 N ATOM 410 CA ASP A 29 7.581 7.994 -3.693 1.00 0.00 C ATOM 411 C ASP A 29 8.338 7.016 -2.791 1.00 0.00 C ATOM 412 O ASP A 29 8.896 7.439 -1.778 1.00 0.00 O ATOM 413 CB ASP A 29 6.116 8.175 -3.270 1.00 0.00 C ATOM 414 CG ASP A 29 5.620 9.565 -3.684 1.00 0.00 C ATOM 415 OD1 ASP A 29 6.295 10.595 -3.433 1.00 0.00 O ATOM 416 OD2 ASP A 29 4.591 9.624 -4.393 1.00 0.00 O ATOM 0 H ASP A 29 6.843 7.248 -5.517 1.00 0.00 H new ATOM 0 HA ASP A 29 8.048 8.971 -3.574 1.00 0.00 H new ATOM 0 HB2 ASP A 29 5.497 7.406 -3.733 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.022 8.053 -2.191 1.00 0.00 H new ATOM 421 N ILE A 30 8.429 5.729 -3.157 1.00 0.00 N ATOM 422 CA ILE A 30 9.171 4.717 -2.399 1.00 0.00 C ATOM 423 C ILE A 30 10.625 5.216 -2.313 1.00 0.00 C ATOM 424 O ILE A 30 11.235 5.184 -1.244 1.00 0.00 O ATOM 425 CB ILE A 30 9.044 3.318 -3.086 1.00 0.00 C ATOM 426 CG1 ILE A 30 7.792 2.569 -2.586 1.00 0.00 C ATOM 427 CG2 ILE A 30 10.277 2.415 -2.890 1.00 0.00 C ATOM 428 CD1 ILE A 30 7.326 1.421 -3.494 1.00 0.00 C ATOM 0 H ILE A 30 7.984 5.360 -3.997 1.00 0.00 H new ATOM 0 HA ILE A 30 8.772 4.583 -1.393 1.00 0.00 H new ATOM 0 HB ILE A 30 8.961 3.530 -4.152 1.00 0.00 H new ATOM 0 HG12 ILE A 30 7.997 2.169 -1.593 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.976 3.284 -2.479 1.00 0.00 H new ATOM 0 HG21 ILE A 30 10.114 1.463 -3.395 1.00 0.00 H new ATOM 0 HG22 ILE A 30 11.156 2.903 -3.311 1.00 0.00 H new ATOM 0 HG23 ILE A 30 10.434 2.239 -1.826 1.00 0.00 H new ATOM 0 HD11 ILE A 30 6.441 0.953 -3.063 1.00 0.00 H new ATOM 0 HD12 ILE A 30 7.085 1.813 -4.482 1.00 0.00 H new ATOM 0 HD13 ILE A 30 8.121 0.681 -3.582 1.00 0.00 H new ATOM 440 N ASN A 31 11.163 5.729 -3.426 1.00 0.00 N ATOM 441 CA ASN A 31 12.527 6.247 -3.531 1.00 0.00 C ATOM 442 C ASN A 31 12.730 7.563 -2.763 1.00 0.00 C ATOM 443 O ASN A 31 13.866 8.033 -2.654 1.00 0.00 O ATOM 444 CB ASN A 31 12.932 6.377 -5.004 1.00 0.00 C ATOM 445 CG ASN A 31 13.303 5.020 -5.594 1.00 0.00 C ATOM 446 OD1 ASN A 31 14.473 4.693 -5.738 1.00 0.00 O ATOM 447 ND2 ASN A 31 12.335 4.228 -6.010 1.00 0.00 N ATOM 0 H ASN A 31 10.644 5.796 -4.302 1.00 0.00 H new ATOM 0 HA ASN A 31 13.187 5.524 -3.052 1.00 0.00 H new ATOM 0 HB2 ASN A 31 12.110 6.812 -5.573 1.00 0.00 H new ATOM 0 HB3 ASN A 31 13.778 7.059 -5.093 1.00 0.00 H new ATOM 0 HD21 ASN A 31 12.560 3.338 -6.454 1.00 0.00 H new ATOM 0 HD22 ASN A 31 11.361 4.505 -5.888 1.00 0.00 H new ATOM 454 N LYS A 32 11.665 8.218 -2.280 1.00 0.00 N ATOM 455 CA LYS A 32 11.799 9.449 -1.499 1.00 0.00 C ATOM 456 C LYS A 32 11.953 9.087 -0.026 1.00 0.00 C ATOM 457 O LYS A 32 12.533 9.868 0.725 1.00 0.00 O ATOM 458 CB LYS A 32 10.612 10.409 -1.695 1.00 0.00 C ATOM 459 CG LYS A 32 10.532 11.047 -3.090 1.00 0.00 C ATOM 460 CD LYS A 32 11.865 11.678 -3.515 1.00 0.00 C ATOM 461 CE LYS A 32 11.667 12.722 -4.611 1.00 0.00 C ATOM 462 NZ LYS A 32 12.958 13.316 -5.017 1.00 0.00 N ATOM 0 H LYS A 32 10.702 7.913 -2.418 1.00 0.00 H new ATOM 0 HA LYS A 32 12.684 9.977 -1.854 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.686 9.866 -1.504 1.00 0.00 H new ATOM 0 HB3 LYS A 32 10.676 11.202 -0.950 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.242 10.290 -3.818 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.753 11.809 -3.095 1.00 0.00 H new ATOM 0 HD2 LYS A 32 12.341 12.142 -2.651 1.00 0.00 H new ATOM 0 HD3 LYS A 32 12.540 10.900 -3.871 1.00 0.00 H new ATOM 0 HE2 LYS A 32 11.187 12.261 -5.474 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.998 13.506 -4.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 12.796 14.022 -5.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 13.402 13.775 -4.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 13.586 12.569 -5.378 1.00 0.00 H new ATOM 476 N LEU A 33 11.443 7.931 0.410 1.00 0.00 N ATOM 477 CA LEU A 33 11.573 7.516 1.800 1.00 0.00 C ATOM 478 C LEU A 33 13.047 7.220 2.086 1.00 0.00 C ATOM 479 O LEU A 33 13.750 6.730 1.192 1.00 0.00 O ATOM 480 CB LEU A 33 10.794 6.219 2.074 1.00 0.00 C ATOM 481 CG LEU A 33 9.265 6.344 2.055 1.00 0.00 C ATOM 482 CD1 LEU A 33 8.688 4.930 2.139 1.00 0.00 C ATOM 483 CD2 LEU A 33 8.733 7.175 3.229 1.00 0.00 C ATOM 0 H LEU A 33 10.938 7.271 -0.182 1.00 0.00 H new ATOM 0 HA LEU A 33 11.182 8.317 2.428 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.089 5.477 1.332 1.00 0.00 H new ATOM 0 HB3 LEU A 33 11.097 5.834 3.048 1.00 0.00 H new ATOM 0 HG LEU A 33 8.966 6.854 1.139 1.00 0.00 H new ATOM 0 HD11 LEU A 33 7.599 4.980 2.128 1.00 0.00 H new ATOM 0 HD12 LEU A 33 9.033 4.345 1.286 1.00 0.00 H new ATOM 0 HD13 LEU A 33 9.020 4.456 3.063 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.646 7.234 3.170 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.021 6.703 4.169 1.00 0.00 H new ATOM 0 HD23 LEU A 33 9.154 8.180 3.184 1.00 0.00 H new ATOM 495 N PRO A 34 13.526 7.478 3.310 1.00 0.00 N ATOM 496 CA PRO A 34 14.900 7.187 3.681 1.00 0.00 C ATOM 497 C PRO A 34 15.042 5.664 3.804 1.00 0.00 C ATOM 498 O PRO A 34 14.067 4.978 4.131 1.00 0.00 O ATOM 499 CB PRO A 34 15.093 7.880 5.031 1.00 0.00 C ATOM 500 CG PRO A 34 13.700 7.863 5.645 1.00 0.00 C ATOM 501 CD PRO A 34 12.801 8.059 4.430 1.00 0.00 C ATOM 0 HA PRO A 34 15.641 7.533 2.960 1.00 0.00 H new ATOM 0 HB2 PRO A 34 15.812 7.349 5.655 1.00 0.00 H new ATOM 0 HB3 PRO A 34 15.465 8.897 4.910 1.00 0.00 H new ATOM 0 HG2 PRO A 34 13.493 6.922 6.155 1.00 0.00 H new ATOM 0 HG3 PRO A 34 13.570 8.659 6.378 1.00 0.00 H new ATOM 0 HD2 PRO A 34 11.838 7.568 4.571 1.00 0.00 H new ATOM 0 HD3 PRO A 34 12.597 9.116 4.259 1.00 0.00 H new ATOM 509 N GLY A 35 16.245 5.131 3.585 1.00 0.00 N ATOM 510 CA GLY A 35 16.531 3.702 3.675 1.00 0.00 C ATOM 511 C GLY A 35 16.103 3.148 5.032 1.00 0.00 C ATOM 512 O GLY A 35 15.519 2.068 5.109 1.00 0.00 O ATOM 0 H GLY A 35 17.060 5.691 3.336 1.00 0.00 H new ATOM 0 HA2 GLY A 35 16.009 3.171 2.879 1.00 0.00 H new ATOM 0 HA3 GLY A 35 17.597 3.530 3.527 1.00 0.00 H new ATOM 516 N GLU A 36 16.301 3.921 6.103 1.00 0.00 N ATOM 517 CA GLU A 36 15.930 3.517 7.458 1.00 0.00 C ATOM 518 C GLU A 36 14.416 3.264 7.602 1.00 0.00 C ATOM 519 O GLU A 36 14.017 2.507 8.486 1.00 0.00 O ATOM 520 CB GLU A 36 16.426 4.578 8.455 1.00 0.00 C ATOM 521 CG GLU A 36 15.517 5.817 8.484 1.00 0.00 C ATOM 522 CD GLU A 36 16.109 7.040 9.173 1.00 0.00 C ATOM 523 OE1 GLU A 36 17.346 7.254 9.112 1.00 0.00 O ATOM 524 OE2 GLU A 36 15.339 7.856 9.710 1.00 0.00 O ATOM 0 H GLU A 36 16.725 4.847 6.053 1.00 0.00 H new ATOM 0 HA GLU A 36 16.412 2.564 7.678 1.00 0.00 H new ATOM 0 HB2 GLU A 36 16.475 4.142 9.453 1.00 0.00 H new ATOM 0 HB3 GLU A 36 17.439 4.879 8.189 1.00 0.00 H new ATOM 0 HG2 GLU A 36 15.263 6.085 7.459 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.586 5.553 8.985 1.00 0.00 H new ATOM 531 N LYS A 37 13.558 3.893 6.780 1.00 0.00 N ATOM 532 CA LYS A 37 12.097 3.710 6.823 1.00 0.00 C ATOM 533 C LYS A 37 11.627 2.789 5.699 1.00 0.00 C ATOM 534 O LYS A 37 10.545 2.212 5.803 1.00 0.00 O ATOM 535 CB LYS A 37 11.347 5.056 6.780 1.00 0.00 C ATOM 536 CG LYS A 37 11.662 5.915 8.014 1.00 0.00 C ATOM 537 CD LYS A 37 10.924 7.258 8.092 1.00 0.00 C ATOM 538 CE LYS A 37 9.527 7.093 8.708 1.00 0.00 C ATOM 539 NZ LYS A 37 9.010 8.371 9.247 1.00 0.00 N ATOM 0 H LYS A 37 13.862 4.549 6.060 1.00 0.00 H new ATOM 0 HA LYS A 37 11.860 3.236 7.776 1.00 0.00 H new ATOM 0 HB2 LYS A 37 11.624 5.599 5.877 1.00 0.00 H new ATOM 0 HB3 LYS A 37 10.274 4.874 6.726 1.00 0.00 H new ATOM 0 HG2 LYS A 37 11.424 5.337 8.907 1.00 0.00 H new ATOM 0 HG3 LYS A 37 12.735 6.108 8.036 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.506 7.961 8.688 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.835 7.685 7.093 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.839 6.712 7.953 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.567 6.351 9.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 8.406 8.181 10.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 9.807 8.975 9.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 8.453 8.857 8.515 1.00 0.00 H new ATOM 553 N LEU A 38 12.428 2.605 4.646 1.00 0.00 N ATOM 554 CA LEU A 38 12.091 1.743 3.520 1.00 0.00 C ATOM 555 C LEU A 38 11.834 0.316 4.002 1.00 0.00 C ATOM 556 O LEU A 38 10.871 -0.303 3.564 1.00 0.00 O ATOM 557 CB LEU A 38 13.208 1.799 2.476 1.00 0.00 C ATOM 558 CG LEU A 38 12.934 0.977 1.207 1.00 0.00 C ATOM 559 CD1 LEU A 38 11.623 1.371 0.519 1.00 0.00 C ATOM 560 CD2 LEU A 38 14.095 1.199 0.236 1.00 0.00 C ATOM 0 H LEU A 38 13.338 3.057 4.554 1.00 0.00 H new ATOM 0 HA LEU A 38 11.173 2.097 3.051 1.00 0.00 H new ATOM 0 HB2 LEU A 38 13.371 2.839 2.192 1.00 0.00 H new ATOM 0 HB3 LEU A 38 14.132 1.444 2.932 1.00 0.00 H new ATOM 0 HG LEU A 38 12.843 -0.070 1.495 1.00 0.00 H new ATOM 0 HD11 LEU A 38 11.481 0.758 -0.371 1.00 0.00 H new ATOM 0 HD12 LEU A 38 10.791 1.213 1.205 1.00 0.00 H new ATOM 0 HD13 LEU A 38 11.664 2.422 0.233 1.00 0.00 H new ATOM 0 HD21 LEU A 38 13.923 0.625 -0.674 1.00 0.00 H new ATOM 0 HD22 LEU A 38 14.165 2.258 -0.011 1.00 0.00 H new ATOM 0 HD23 LEU A 38 15.025 0.873 0.701 1.00 0.00 H new ATOM 572 N GLY A 39 12.595 -0.172 4.983 1.00 0.00 N ATOM 573 CA GLY A 39 12.425 -1.513 5.533 1.00 0.00 C ATOM 574 C GLY A 39 11.080 -1.717 6.232 1.00 0.00 C ATOM 575 O GLY A 39 10.805 -2.812 6.725 1.00 0.00 O ATOM 0 H GLY A 39 13.350 0.357 5.419 1.00 0.00 H new ATOM 0 HA2 GLY A 39 12.522 -2.242 4.729 1.00 0.00 H new ATOM 0 HA3 GLY A 39 13.228 -1.711 6.242 1.00 0.00 H new ATOM 579 N ARG A 40 10.248 -0.677 6.377 1.00 0.00 N ATOM 580 CA ARG A 40 8.932 -0.821 6.981 1.00 0.00 C ATOM 581 C ARG A 40 7.938 -1.159 5.881 1.00 0.00 C ATOM 582 O ARG A 40 7.026 -1.948 6.116 1.00 0.00 O ATOM 583 CB ARG A 40 8.518 0.440 7.759 1.00 0.00 C ATOM 584 CG ARG A 40 7.209 0.222 8.540 1.00 0.00 C ATOM 585 CD ARG A 40 7.351 -1.003 9.453 1.00 0.00 C ATOM 586 NE ARG A 40 6.277 -1.116 10.434 1.00 0.00 N ATOM 587 CZ ARG A 40 6.032 -2.209 11.157 1.00 0.00 C ATOM 588 NH1 ARG A 40 6.689 -3.342 10.938 1.00 0.00 N ATOM 589 NH2 ARG A 40 5.114 -2.173 12.106 1.00 0.00 N ATOM 0 H ARG A 40 10.471 0.273 6.081 1.00 0.00 H new ATOM 0 HA ARG A 40 8.953 -1.628 7.714 1.00 0.00 H new ATOM 0 HB2 ARG A 40 9.313 0.718 8.451 1.00 0.00 H new ATOM 0 HB3 ARG A 40 8.394 1.272 7.065 1.00 0.00 H new ATOM 0 HG2 ARG A 40 6.977 1.106 9.134 1.00 0.00 H new ATOM 0 HG3 ARG A 40 6.380 0.077 7.847 1.00 0.00 H new ATOM 0 HD2 ARG A 40 7.371 -1.904 8.840 1.00 0.00 H new ATOM 0 HD3 ARG A 40 8.307 -0.951 9.974 1.00 0.00 H new ATOM 0 HE ARG A 40 5.674 -0.306 10.576 1.00 0.00 H new ATOM 0 HH11 ARG A 40 7.397 -3.388 10.205 1.00 0.00 H new ATOM 0 HH12 ARG A 40 6.486 -4.167 11.503 1.00 0.00 H new ATOM 0 HH21 ARG A 40 4.597 -1.312 12.283 1.00 0.00 H new ATOM 0 HH22 ARG A 40 4.922 -3.006 12.662 1.00 0.00 H new ATOM 603 N VAL A 41 8.131 -0.590 4.693 1.00 0.00 N ATOM 604 CA VAL A 41 7.313 -0.779 3.508 1.00 0.00 C ATOM 605 C VAL A 41 7.133 -2.279 3.250 1.00 0.00 C ATOM 606 O VAL A 41 6.000 -2.742 3.149 1.00 0.00 O ATOM 607 CB VAL A 41 7.977 -0.032 2.327 1.00 0.00 C ATOM 608 CG1 VAL A 41 7.152 -0.093 1.037 1.00 0.00 C ATOM 609 CG2 VAL A 41 8.212 1.455 2.661 1.00 0.00 C ATOM 0 H VAL A 41 8.907 0.050 4.527 1.00 0.00 H new ATOM 0 HA VAL A 41 6.315 -0.362 3.640 1.00 0.00 H new ATOM 0 HB VAL A 41 8.925 -0.546 2.166 1.00 0.00 H new ATOM 0 HG11 VAL A 41 7.671 0.449 0.247 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.021 -1.133 0.738 1.00 0.00 H new ATOM 0 HG13 VAL A 41 6.176 0.361 1.208 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.680 1.950 1.810 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.258 1.934 2.880 1.00 0.00 H new ATOM 0 HG23 VAL A 41 8.865 1.534 3.530 1.00 0.00 H new ATOM 619 N VAL A 42 8.216 -3.060 3.269 1.00 0.00 N ATOM 620 CA VAL A 42 8.184 -4.502 3.016 1.00 0.00 C ATOM 621 C VAL A 42 7.263 -5.264 3.986 1.00 0.00 C ATOM 622 O VAL A 42 6.626 -6.248 3.606 1.00 0.00 O ATOM 623 CB VAL A 42 9.644 -5.007 2.990 1.00 0.00 C ATOM 624 CG1 VAL A 42 10.274 -4.944 4.379 1.00 0.00 C ATOM 625 CG2 VAL A 42 9.787 -6.418 2.404 1.00 0.00 C ATOM 0 H VAL A 42 9.152 -2.704 3.463 1.00 0.00 H new ATOM 0 HA VAL A 42 7.729 -4.703 2.046 1.00 0.00 H new ATOM 0 HB VAL A 42 10.181 -4.332 2.323 1.00 0.00 H new ATOM 0 HG11 VAL A 42 11.301 -5.306 4.329 1.00 0.00 H new ATOM 0 HG12 VAL A 42 10.269 -3.914 4.734 1.00 0.00 H new ATOM 0 HG13 VAL A 42 9.703 -5.568 5.066 1.00 0.00 H new ATOM 0 HG21 VAL A 42 10.837 -6.712 2.415 1.00 0.00 H new ATOM 0 HG22 VAL A 42 9.207 -7.121 3.002 1.00 0.00 H new ATOM 0 HG23 VAL A 42 9.419 -6.425 1.378 1.00 0.00 H new ATOM 635 N HIS A 43 7.160 -4.815 5.242 1.00 0.00 N ATOM 636 CA HIS A 43 6.329 -5.461 6.253 1.00 0.00 C ATOM 637 C HIS A 43 4.847 -5.297 5.920 1.00 0.00 C ATOM 638 O HIS A 43 4.007 -6.074 6.382 1.00 0.00 O ATOM 639 CB HIS A 43 6.632 -4.868 7.633 1.00 0.00 C ATOM 640 CG HIS A 43 6.326 -5.786 8.795 1.00 0.00 C ATOM 641 ND1 HIS A 43 5.075 -6.138 9.252 1.00 0.00 N ATOM 642 CD2 HIS A 43 7.245 -6.387 9.618 1.00 0.00 C ATOM 643 CE1 HIS A 43 5.233 -6.940 10.315 1.00 0.00 C ATOM 644 NE2 HIS A 43 6.538 -7.096 10.601 1.00 0.00 N ATOM 0 H HIS A 43 7.654 -3.990 5.583 1.00 0.00 H new ATOM 0 HA HIS A 43 6.560 -6.526 6.264 1.00 0.00 H new ATOM 0 HB2 HIS A 43 7.686 -4.593 7.672 1.00 0.00 H new ATOM 0 HB3 HIS A 43 6.058 -3.949 7.753 1.00 0.00 H new ATOM 0 HD2 HIS A 43 8.319 -6.325 9.526 1.00 0.00 H new ATOM 0 HE1 HIS A 43 4.424 -7.397 10.865 1.00 0.00 H new ATOM 0 HE2 HIS A 43 6.935 -7.625 11.378 1.00 0.00 H new ATOM 652 N ILE A 44 4.496 -4.263 5.152 1.00 0.00 N ATOM 653 CA ILE A 44 3.119 -4.020 4.770 1.00 0.00 C ATOM 654 C ILE A 44 2.689 -5.165 3.840 1.00 0.00 C ATOM 655 O ILE A 44 1.644 -5.780 4.081 1.00 0.00 O ATOM 656 CB ILE A 44 2.959 -2.625 4.121 1.00 0.00 C ATOM 657 CG1 ILE A 44 3.562 -1.486 4.985 1.00 0.00 C ATOM 658 CG2 ILE A 44 1.466 -2.364 3.874 1.00 0.00 C ATOM 659 CD1 ILE A 44 3.527 -0.089 4.342 1.00 0.00 C ATOM 0 H ILE A 44 5.159 -3.580 4.784 1.00 0.00 H new ATOM 0 HA ILE A 44 2.468 -4.007 5.644 1.00 0.00 H new ATOM 0 HB ILE A 44 3.512 -2.628 3.182 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.024 -1.446 5.932 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.597 -1.736 5.217 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.339 -1.383 3.416 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.068 -3.129 3.208 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.930 -2.394 4.822 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.971 0.637 5.024 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.091 -0.103 3.410 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.494 0.191 4.136 1.00 0.00 H new ATOM 671 N ILE A 45 3.515 -5.495 2.831 1.00 0.00 N ATOM 672 CA ILE A 45 3.221 -6.556 1.874 1.00 0.00 C ATOM 673 C ILE A 45 3.024 -7.868 2.621 1.00 0.00 C ATOM 674 O ILE A 45 2.069 -8.581 2.319 1.00 0.00 O ATOM 675 CB ILE A 45 4.300 -6.712 0.770 1.00 0.00 C ATOM 676 CG1 ILE A 45 4.447 -5.476 -0.147 1.00 0.00 C ATOM 677 CG2 ILE A 45 3.895 -7.892 -0.129 1.00 0.00 C ATOM 678 CD1 ILE A 45 5.515 -4.496 0.322 1.00 0.00 C ATOM 0 H ILE A 45 4.406 -5.027 2.663 1.00 0.00 H new ATOM 0 HA ILE A 45 2.305 -6.276 1.355 1.00 0.00 H new ATOM 0 HB ILE A 45 5.251 -6.858 1.283 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.688 -5.809 -1.156 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.489 -4.959 -0.203 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.639 -8.023 -0.915 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.835 -8.801 0.469 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.923 -7.689 -0.579 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.564 -3.653 -0.368 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.264 -4.134 1.319 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.482 -4.998 0.351 1.00 0.00 H new ATOM 690 N GLN A 46 3.856 -8.180 3.623 1.00 0.00 N ATOM 691 CA GLN A 46 3.719 -9.430 4.368 1.00 0.00 C ATOM 692 C GLN A 46 2.330 -9.597 5.008 1.00 0.00 C ATOM 693 O GLN A 46 1.943 -10.721 5.325 1.00 0.00 O ATOM 694 CB GLN A 46 4.839 -9.580 5.406 1.00 0.00 C ATOM 695 CG GLN A 46 6.222 -9.722 4.749 1.00 0.00 C ATOM 696 CD GLN A 46 7.288 -10.070 5.781 1.00 0.00 C ATOM 697 OE1 GLN A 46 7.370 -9.436 6.829 1.00 0.00 O ATOM 698 NE2 GLN A 46 8.099 -11.082 5.526 1.00 0.00 N ATOM 0 H GLN A 46 4.625 -7.586 3.932 1.00 0.00 H new ATOM 0 HA GLN A 46 3.818 -10.238 3.643 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.839 -8.713 6.066 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.642 -10.454 6.027 1.00 0.00 H new ATOM 0 HG2 GLN A 46 6.186 -10.497 3.983 1.00 0.00 H new ATOM 0 HG3 GLN A 46 6.487 -8.791 4.248 1.00 0.00 H new ATOM 0 HE21 GLN A 46 8.014 -11.595 4.649 1.00 0.00 H new ATOM 0 HE22 GLN A 46 8.810 -11.350 6.206 1.00 0.00 H new ATOM 707 N SER A 47 1.557 -8.521 5.214 1.00 0.00 N ATOM 708 CA SER A 47 0.216 -8.629 5.781 1.00 0.00 C ATOM 709 C SER A 47 -0.811 -8.966 4.689 1.00 0.00 C ATOM 710 O SER A 47 -1.951 -9.312 5.011 1.00 0.00 O ATOM 711 CB SER A 47 -0.164 -7.345 6.521 1.00 0.00 C ATOM 712 OG SER A 47 -0.770 -7.649 7.769 1.00 0.00 O ATOM 0 H SER A 47 1.843 -7.567 4.994 1.00 0.00 H new ATOM 0 HA SER A 47 0.214 -9.444 6.504 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.725 -6.734 6.681 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.850 -6.757 5.911 1.00 0.00 H new ATOM 0 HG SER A 47 -1.005 -6.817 8.230 1.00 0.00 H new ATOM 718 N ARG A 48 -0.467 -8.859 3.403 1.00 0.00 N ATOM 719 CA ARG A 48 -1.326 -9.163 2.260 1.00 0.00 C ATOM 720 C ARG A 48 -0.899 -10.449 1.568 1.00 0.00 C ATOM 721 O ARG A 48 -1.759 -11.188 1.099 1.00 0.00 O ATOM 722 CB ARG A 48 -1.330 -7.992 1.274 1.00 0.00 C ATOM 723 CG ARG A 48 -1.756 -6.653 1.900 1.00 0.00 C ATOM 724 CD ARG A 48 -3.241 -6.573 2.298 1.00 0.00 C ATOM 725 NE ARG A 48 -3.508 -7.313 3.541 1.00 0.00 N ATOM 726 CZ ARG A 48 -4.641 -7.378 4.246 1.00 0.00 C ATOM 727 NH1 ARG A 48 -5.738 -6.721 3.895 1.00 0.00 N ATOM 728 NH2 ARG A 48 -4.636 -8.118 5.341 1.00 0.00 N ATOM 0 H ARG A 48 0.461 -8.544 3.119 1.00 0.00 H new ATOM 0 HA ARG A 48 -2.340 -9.313 2.631 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -0.332 -7.883 0.850 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -2.002 -8.227 0.449 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -1.146 -6.471 2.785 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -1.540 -5.852 1.193 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -3.528 -5.529 2.426 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -3.856 -6.977 1.494 1.00 0.00 H new ATOM 0 HE ARG A 48 -2.724 -7.848 3.914 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -5.738 -6.138 3.058 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -6.582 -6.799 4.462 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -3.788 -8.612 5.619 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -5.480 -8.195 5.908 1.00 0.00 H new ATOM 742 N GLU A 49 0.393 -10.746 1.560 1.00 0.00 N ATOM 743 CA GLU A 49 0.963 -11.930 0.939 1.00 0.00 C ATOM 744 C GLU A 49 1.453 -12.841 2.071 1.00 0.00 C ATOM 745 O GLU A 49 2.556 -12.628 2.584 1.00 0.00 O ATOM 746 CB GLU A 49 2.093 -11.530 -0.022 1.00 0.00 C ATOM 747 CG GLU A 49 1.746 -10.405 -1.004 1.00 0.00 C ATOM 748 CD GLU A 49 0.489 -10.624 -1.851 1.00 0.00 C ATOM 749 OE1 GLU A 49 0.164 -11.793 -2.174 1.00 0.00 O ATOM 750 OE2 GLU A 49 -0.155 -9.618 -2.238 1.00 0.00 O ATOM 0 H GLU A 49 1.094 -10.150 2.000 1.00 0.00 H new ATOM 0 HA GLU A 49 0.226 -12.464 0.339 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.958 -11.223 0.567 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.392 -12.409 -0.592 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.624 -9.480 -0.440 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.593 -10.260 -1.675 1.00 0.00 H new ATOM 757 N PRO A 50 0.670 -13.844 2.510 1.00 0.00 N ATOM 758 CA PRO A 50 1.091 -14.718 3.599 1.00 0.00 C ATOM 759 C PRO A 50 2.318 -15.531 3.188 1.00 0.00 C ATOM 760 O PRO A 50 3.263 -15.654 3.957 1.00 0.00 O ATOM 761 CB PRO A 50 -0.121 -15.588 3.929 1.00 0.00 C ATOM 762 CG PRO A 50 -0.921 -15.610 2.627 1.00 0.00 C ATOM 763 CD PRO A 50 -0.641 -14.239 2.012 1.00 0.00 C ATOM 0 HA PRO A 50 1.400 -14.162 4.484 1.00 0.00 H new ATOM 0 HB2 PRO A 50 0.178 -16.592 4.232 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -0.703 -15.168 4.749 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -0.597 -16.418 1.971 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -1.985 -15.757 2.812 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -0.647 -14.290 0.923 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -1.404 -13.517 2.302 1.00 0.00 H new ATOM 771 N SER A 51 2.377 -15.986 1.938 1.00 0.00 N ATOM 772 CA SER A 51 3.482 -16.764 1.393 1.00 0.00 C ATOM 773 C SER A 51 4.832 -16.039 1.471 1.00 0.00 C ATOM 774 O SER A 51 5.874 -16.688 1.430 1.00 0.00 O ATOM 775 CB SER A 51 3.129 -17.099 -0.057 1.00 0.00 C ATOM 776 OG SER A 51 1.833 -17.676 -0.084 1.00 0.00 O ATOM 0 H SER A 51 1.635 -15.817 1.259 1.00 0.00 H new ATOM 0 HA SER A 51 3.607 -17.666 1.992 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.155 -16.199 -0.671 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.860 -17.791 -0.475 1.00 0.00 H new ATOM 0 HG SER A 51 1.592 -17.895 -1.008 1.00 0.00 H new ATOM 782 N LEU A 52 4.834 -14.713 1.612 1.00 0.00 N ATOM 783 CA LEU A 52 6.038 -13.893 1.691 1.00 0.00 C ATOM 784 C LEU A 52 6.374 -13.528 3.144 1.00 0.00 C ATOM 785 O LEU A 52 7.426 -12.946 3.415 1.00 0.00 O ATOM 786 CB LEU A 52 5.813 -12.652 0.799 1.00 0.00 C ATOM 787 CG LEU A 52 6.055 -12.861 -0.712 1.00 0.00 C ATOM 788 CD1 LEU A 52 7.506 -13.226 -1.023 1.00 0.00 C ATOM 789 CD2 LEU A 52 5.152 -13.916 -1.368 1.00 0.00 C ATOM 0 H LEU A 52 3.974 -14.168 1.676 1.00 0.00 H new ATOM 0 HA LEU A 52 6.905 -14.445 1.328 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.789 -12.307 0.940 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.469 -11.854 1.146 1.00 0.00 H new ATOM 0 HG LEU A 52 5.803 -11.890 -1.139 1.00 0.00 H new ATOM 0 HD11 LEU A 52 7.624 -13.362 -2.098 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.163 -12.425 -0.684 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.767 -14.151 -0.509 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.394 -13.994 -2.428 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.312 -14.881 -0.888 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.108 -13.623 -1.255 1.00 0.00 H new ATOM 801 N LYS A 53 5.529 -13.882 4.119 1.00 0.00 N ATOM 802 CA LYS A 53 5.752 -13.577 5.530 1.00 0.00 C ATOM 803 C LYS A 53 6.934 -14.327 6.138 1.00 0.00 C ATOM 804 O LYS A 53 7.428 -13.896 7.176 1.00 0.00 O ATOM 805 CB LYS A 53 4.465 -13.856 6.325 1.00 0.00 C ATOM 806 CG LYS A 53 4.323 -15.296 6.848 1.00 0.00 C ATOM 807 CD LYS A 53 2.915 -15.598 7.372 1.00 0.00 C ATOM 808 CE LYS A 53 2.755 -15.354 8.877 1.00 0.00 C ATOM 809 NZ LYS A 53 2.810 -13.929 9.265 1.00 0.00 N ATOM 0 H LYS A 53 4.664 -14.393 3.945 1.00 0.00 H new ATOM 0 HA LYS A 53 6.010 -12.520 5.591 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.424 -13.172 7.173 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.608 -13.630 5.691 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.566 -15.995 6.047 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.047 -15.461 7.646 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.196 -14.981 6.834 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.670 -16.637 7.153 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.803 -15.772 9.203 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.539 -15.895 9.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 2.479 -13.823 10.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 3.789 -13.587 9.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.200 -13.373 8.632 1.00 0.00 H new ATOM 823 N ASN A 54 7.381 -15.431 5.535 1.00 0.00 N ATOM 824 CA ASN A 54 8.490 -16.241 6.047 1.00 0.00 C ATOM 825 C ASN A 54 9.821 -15.934 5.352 1.00 0.00 C ATOM 826 O ASN A 54 10.816 -16.626 5.606 1.00 0.00 O ATOM 827 CB ASN A 54 8.131 -17.735 5.989 1.00 0.00 C ATOM 828 CG ASN A 54 6.862 -18.039 6.779 1.00 0.00 C ATOM 829 OD1 ASN A 54 6.839 -17.926 8.002 1.00 0.00 O ATOM 830 ND2 ASN A 54 5.773 -18.349 6.100 1.00 0.00 N ATOM 0 H ASN A 54 6.980 -15.792 4.669 1.00 0.00 H new ATOM 0 HA ASN A 54 8.641 -15.969 7.092 1.00 0.00 H new ATOM 0 HB2 ASN A 54 7.995 -18.037 4.951 1.00 0.00 H new ATOM 0 HB3 ASN A 54 8.958 -18.324 6.386 1.00 0.00 H new ATOM 0 HD21 ASN A 54 4.892 -18.499 6.591 1.00 0.00 H new ATOM 0 HD22 ASN A 54 5.813 -18.438 5.085 1.00 0.00 H new ATOM 837 N SER A 55 9.853 -14.941 4.461 1.00 0.00 N ATOM 838 CA SER A 55 11.047 -14.524 3.741 1.00 0.00 C ATOM 839 C SER A 55 11.673 -13.316 4.456 1.00 0.00 C ATOM 840 O SER A 55 10.961 -12.528 5.091 1.00 0.00 O ATOM 841 CB SER A 55 10.656 -14.178 2.293 1.00 0.00 C ATOM 842 OG SER A 55 10.116 -15.311 1.618 1.00 0.00 O ATOM 0 H SER A 55 9.027 -14.394 4.218 1.00 0.00 H new ATOM 0 HA SER A 55 11.785 -15.326 3.720 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.924 -13.370 2.295 1.00 0.00 H new ATOM 0 HB3 SER A 55 11.531 -13.814 1.755 1.00 0.00 H new ATOM 0 HG SER A 55 9.875 -15.062 0.701 1.00 0.00 H new ATOM 848 N ASN A 56 13.004 -13.187 4.419 1.00 0.00 N ATOM 849 CA ASN A 56 13.699 -12.049 5.037 1.00 0.00 C ATOM 850 C ASN A 56 13.318 -10.819 4.194 1.00 0.00 C ATOM 851 O ASN A 56 13.119 -10.988 2.992 1.00 0.00 O ATOM 852 CB ASN A 56 15.221 -12.260 4.976 1.00 0.00 C ATOM 853 CG ASN A 56 15.987 -11.442 6.008 1.00 0.00 C ATOM 854 OD1 ASN A 56 15.647 -11.416 7.186 1.00 0.00 O ATOM 855 ND2 ASN A 56 17.007 -10.705 5.606 1.00 0.00 N ATOM 0 H ASN A 56 13.624 -13.858 3.966 1.00 0.00 H new ATOM 0 HA ASN A 56 13.419 -11.932 6.084 1.00 0.00 H new ATOM 0 HB2 ASN A 56 15.440 -13.317 5.126 1.00 0.00 H new ATOM 0 HB3 ASN A 56 15.577 -11.999 3.979 1.00 0.00 H new ATOM 0 HD21 ASN A 56 17.507 -10.119 6.274 1.00 0.00 H new ATOM 0 HD22 ASN A 56 17.294 -10.722 4.628 1.00 0.00 H new ATOM 862 N PRO A 57 13.274 -9.583 4.714 1.00 0.00 N ATOM 863 CA PRO A 57 12.886 -8.437 3.897 1.00 0.00 C ATOM 864 C PRO A 57 13.848 -8.201 2.730 1.00 0.00 C ATOM 865 O PRO A 57 13.410 -7.902 1.621 1.00 0.00 O ATOM 866 CB PRO A 57 12.755 -7.271 4.871 1.00 0.00 C ATOM 867 CG PRO A 57 13.612 -7.663 6.064 1.00 0.00 C ATOM 868 CD PRO A 57 13.492 -9.182 6.087 1.00 0.00 C ATOM 0 HA PRO A 57 11.937 -8.594 3.385 1.00 0.00 H new ATOM 0 HB2 PRO A 57 13.103 -6.340 4.423 1.00 0.00 H new ATOM 0 HB3 PRO A 57 11.717 -7.115 5.164 1.00 0.00 H new ATOM 0 HG2 PRO A 57 14.646 -7.342 5.941 1.00 0.00 H new ATOM 0 HG3 PRO A 57 13.247 -7.215 6.988 1.00 0.00 H new ATOM 0 HD2 PRO A 57 14.396 -9.639 6.489 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.665 -9.499 6.723 1.00 0.00 H new ATOM 876 N ASP A 58 15.140 -8.443 2.949 1.00 0.00 N ATOM 877 CA ASP A 58 16.182 -8.277 1.938 1.00 0.00 C ATOM 878 C ASP A 58 16.085 -9.360 0.850 1.00 0.00 C ATOM 879 O ASP A 58 16.777 -9.262 -0.165 1.00 0.00 O ATOM 880 CB ASP A 58 17.569 -8.374 2.593 1.00 0.00 C ATOM 881 CG ASP A 58 18.017 -7.150 3.392 1.00 0.00 C ATOM 882 OD1 ASP A 58 17.183 -6.455 4.015 1.00 0.00 O ATOM 883 OD2 ASP A 58 19.250 -6.962 3.507 1.00 0.00 O ATOM 0 H ASP A 58 15.497 -8.765 3.849 1.00 0.00 H new ATOM 0 HA ASP A 58 16.041 -7.297 1.481 1.00 0.00 H new ATOM 0 HB2 ASP A 58 17.577 -9.239 3.256 1.00 0.00 H new ATOM 0 HB3 ASP A 58 18.306 -8.564 1.812 1.00 0.00 H new ATOM 888 N GLU A 59 15.283 -10.409 1.057 1.00 0.00 N ATOM 889 CA GLU A 59 15.079 -11.528 0.134 1.00 0.00 C ATOM 890 C GLU A 59 13.730 -11.401 -0.596 1.00 0.00 C ATOM 891 O GLU A 59 13.424 -12.216 -1.470 1.00 0.00 O ATOM 892 CB GLU A 59 15.129 -12.856 0.911 1.00 0.00 C ATOM 893 CG GLU A 59 16.455 -13.170 1.629 1.00 0.00 C ATOM 894 CD GLU A 59 17.383 -14.067 0.813 1.00 0.00 C ATOM 895 OE1 GLU A 59 17.052 -15.247 0.583 1.00 0.00 O ATOM 896 OE2 GLU A 59 18.517 -13.651 0.473 1.00 0.00 O ATOM 0 H GLU A 59 14.734 -10.505 1.911 1.00 0.00 H new ATOM 0 HA GLU A 59 15.874 -11.510 -0.611 1.00 0.00 H new ATOM 0 HB2 GLU A 59 14.330 -12.850 1.652 1.00 0.00 H new ATOM 0 HB3 GLU A 59 14.914 -13.668 0.217 1.00 0.00 H new ATOM 0 HG2 GLU A 59 16.969 -12.236 1.854 1.00 0.00 H new ATOM 0 HG3 GLU A 59 16.239 -13.653 2.582 1.00 0.00 H new ATOM 903 N ILE A 60 12.895 -10.420 -0.237 1.00 0.00 N ATOM 904 CA ILE A 60 11.603 -10.210 -0.874 1.00 0.00 C ATOM 905 C ILE A 60 11.804 -9.239 -2.034 1.00 0.00 C ATOM 906 O ILE A 60 12.099 -8.058 -1.830 1.00 0.00 O ATOM 907 CB ILE A 60 10.555 -9.709 0.143 1.00 0.00 C ATOM 908 CG1 ILE A 60 10.272 -10.816 1.183 1.00 0.00 C ATOM 909 CG2 ILE A 60 9.229 -9.303 -0.536 1.00 0.00 C ATOM 910 CD1 ILE A 60 9.552 -10.322 2.438 1.00 0.00 C ATOM 0 H ILE A 60 13.102 -9.752 0.505 1.00 0.00 H new ATOM 0 HA ILE A 60 11.211 -11.150 -1.261 1.00 0.00 H new ATOM 0 HB ILE A 60 10.968 -8.824 0.627 1.00 0.00 H new ATOM 0 HG12 ILE A 60 9.670 -11.595 0.715 1.00 0.00 H new ATOM 0 HG13 ILE A 60 11.216 -11.275 1.476 1.00 0.00 H new ATOM 0 HG21 ILE A 60 8.524 -8.958 0.220 1.00 0.00 H new ATOM 0 HG22 ILE A 60 9.417 -8.501 -1.250 1.00 0.00 H new ATOM 0 HG23 ILE A 60 8.809 -10.163 -1.058 1.00 0.00 H new ATOM 0 HD11 ILE A 60 9.390 -11.159 3.118 1.00 0.00 H new ATOM 0 HD12 ILE A 60 10.161 -9.565 2.932 1.00 0.00 H new ATOM 0 HD13 ILE A 60 8.591 -9.890 2.160 1.00 0.00 H new ATOM 922 N GLU A 61 11.683 -9.757 -3.253 1.00 0.00 N ATOM 923 CA GLU A 61 11.793 -8.976 -4.477 1.00 0.00 C ATOM 924 C GLU A 61 10.414 -8.342 -4.675 1.00 0.00 C ATOM 925 O GLU A 61 9.471 -9.058 -5.026 1.00 0.00 O ATOM 926 CB GLU A 61 12.129 -9.849 -5.695 1.00 0.00 C ATOM 927 CG GLU A 61 13.606 -10.247 -5.791 1.00 0.00 C ATOM 928 CD GLU A 61 14.007 -10.556 -7.237 1.00 0.00 C ATOM 929 OE1 GLU A 61 13.961 -9.621 -8.074 1.00 0.00 O ATOM 930 OE2 GLU A 61 14.415 -11.694 -7.547 1.00 0.00 O ATOM 0 H GLU A 61 11.503 -10.747 -3.419 1.00 0.00 H new ATOM 0 HA GLU A 61 12.596 -8.244 -4.390 1.00 0.00 H new ATOM 0 HB2 GLU A 61 11.522 -10.753 -5.659 1.00 0.00 H new ATOM 0 HB3 GLU A 61 11.849 -9.313 -6.602 1.00 0.00 H new ATOM 0 HG2 GLU A 61 14.228 -9.440 -5.403 1.00 0.00 H new ATOM 0 HG3 GLU A 61 13.791 -11.120 -5.166 1.00 0.00 H new ATOM 937 N ILE A 62 10.260 -7.048 -4.387 1.00 0.00 N ATOM 938 CA ILE A 62 8.991 -6.350 -4.548 1.00 0.00 C ATOM 939 C ILE A 62 8.764 -6.107 -6.042 1.00 0.00 C ATOM 940 O ILE A 62 9.633 -5.560 -6.728 1.00 0.00 O ATOM 941 CB ILE A 62 8.981 -4.961 -3.860 1.00 0.00 C ATOM 942 CG1 ILE A 62 9.569 -4.883 -2.438 1.00 0.00 C ATOM 943 CG2 ILE A 62 7.549 -4.385 -3.815 1.00 0.00 C ATOM 944 CD1 ILE A 62 10.263 -3.526 -2.254 1.00 0.00 C ATOM 0 H ILE A 62 11.014 -6.458 -4.036 1.00 0.00 H new ATOM 0 HA ILE A 62 8.219 -6.971 -4.093 1.00 0.00 H new ATOM 0 HB ILE A 62 9.650 -4.375 -4.490 1.00 0.00 H new ATOM 0 HG12 ILE A 62 8.779 -5.004 -1.697 1.00 0.00 H new ATOM 0 HG13 ILE A 62 10.281 -5.694 -2.281 1.00 0.00 H new ATOM 0 HG21 ILE A 62 7.564 -3.410 -3.328 1.00 0.00 H new ATOM 0 HG22 ILE A 62 7.168 -4.278 -4.831 1.00 0.00 H new ATOM 0 HG23 ILE A 62 6.903 -5.060 -3.254 1.00 0.00 H new ATOM 0 HD11 ILE A 62 10.681 -3.465 -1.249 1.00 0.00 H new ATOM 0 HD12 ILE A 62 11.063 -3.424 -2.987 1.00 0.00 H new ATOM 0 HD13 ILE A 62 9.538 -2.724 -2.395 1.00 0.00 H new ATOM 956 N ASP A 63 7.591 -6.477 -6.542 1.00 0.00 N ATOM 957 CA ASP A 63 7.192 -6.261 -7.923 1.00 0.00 C ATOM 958 C ASP A 63 5.723 -5.874 -7.869 1.00 0.00 C ATOM 959 O ASP A 63 4.994 -6.290 -6.973 1.00 0.00 O ATOM 960 CB ASP A 63 7.436 -7.452 -8.848 1.00 0.00 C ATOM 961 CG ASP A 63 7.568 -6.916 -10.276 1.00 0.00 C ATOM 962 OD1 ASP A 63 6.589 -6.315 -10.780 1.00 0.00 O ATOM 963 OD2 ASP A 63 8.672 -6.993 -10.861 1.00 0.00 O ATOM 0 H ASP A 63 6.877 -6.946 -5.984 1.00 0.00 H new ATOM 0 HA ASP A 63 7.810 -5.479 -8.364 1.00 0.00 H new ATOM 0 HB2 ASP A 63 8.341 -7.984 -8.555 1.00 0.00 H new ATOM 0 HB3 ASP A 63 6.612 -8.163 -8.781 1.00 0.00 H new ATOM 968 N PHE A 64 5.272 -5.018 -8.769 1.00 0.00 N ATOM 969 CA PHE A 64 3.900 -4.554 -8.807 1.00 0.00 C ATOM 970 C PHE A 64 3.053 -5.446 -9.705 1.00 0.00 C ATOM 971 O PHE A 64 1.823 -5.372 -9.682 1.00 0.00 O ATOM 972 CB PHE A 64 3.931 -3.076 -9.191 1.00 0.00 C ATOM 973 CG PHE A 64 4.919 -2.260 -8.357 1.00 0.00 C ATOM 974 CD1 PHE A 64 4.932 -2.372 -6.948 1.00 0.00 C ATOM 975 CD2 PHE A 64 5.860 -1.418 -8.981 1.00 0.00 C ATOM 976 CE1 PHE A 64 5.837 -1.622 -6.175 1.00 0.00 C ATOM 977 CE2 PHE A 64 6.790 -0.695 -8.208 1.00 0.00 C ATOM 978 CZ PHE A 64 6.772 -0.786 -6.804 1.00 0.00 C ATOM 0 H PHE A 64 5.858 -4.621 -9.503 1.00 0.00 H new ATOM 0 HA PHE A 64 3.410 -4.628 -7.836 1.00 0.00 H new ATOM 0 HB2 PHE A 64 4.194 -2.986 -10.245 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.932 -2.655 -9.074 1.00 0.00 H new ATOM 0 HD1 PHE A 64 4.239 -3.041 -6.459 1.00 0.00 H new ATOM 0 HD2 PHE A 64 5.869 -1.326 -10.057 1.00 0.00 H new ATOM 0 HE1 PHE A 64 5.812 -1.690 -5.097 1.00 0.00 H new ATOM 0 HE2 PHE A 64 7.521 -0.067 -8.696 1.00 0.00 H new ATOM 0 HZ PHE A 64 7.474 -0.216 -6.214 1.00 0.00 H new ATOM 988 N GLU A 65 3.699 -6.344 -10.451 1.00 0.00 N ATOM 989 CA GLU A 65 3.048 -7.273 -11.349 1.00 0.00 C ATOM 990 C GLU A 65 2.291 -8.357 -10.577 1.00 0.00 C ATOM 991 O GLU A 65 1.174 -8.724 -10.945 1.00 0.00 O ATOM 992 CB GLU A 65 4.109 -7.901 -12.284 1.00 0.00 C ATOM 993 CG GLU A 65 4.871 -9.102 -11.686 1.00 0.00 C ATOM 994 CD GLU A 65 5.842 -9.770 -12.647 1.00 0.00 C ATOM 995 OE1 GLU A 65 5.413 -10.695 -13.377 1.00 0.00 O ATOM 996 OE2 GLU A 65 7.049 -9.461 -12.610 1.00 0.00 O ATOM 0 H GLU A 65 4.714 -6.440 -10.440 1.00 0.00 H new ATOM 0 HA GLU A 65 2.313 -6.732 -11.946 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.618 -8.222 -13.203 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.831 -7.132 -12.559 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.421 -8.767 -10.807 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.148 -9.843 -11.346 1.00 0.00 H new ATOM 1003 N THR A 66 2.875 -8.827 -9.473 1.00 0.00 N ATOM 1004 CA THR A 66 2.347 -9.901 -8.641 1.00 0.00 C ATOM 1005 C THR A 66 1.542 -9.396 -7.441 1.00 0.00 C ATOM 1006 O THR A 66 0.698 -10.121 -6.904 1.00 0.00 O ATOM 1007 CB THR A 66 3.570 -10.761 -8.248 1.00 0.00 C ATOM 1008 OG1 THR A 66 3.225 -12.060 -7.813 1.00 0.00 O ATOM 1009 CG2 THR A 66 4.428 -10.086 -7.173 1.00 0.00 C ATOM 0 H THR A 66 3.759 -8.455 -9.125 1.00 0.00 H new ATOM 0 HA THR A 66 1.615 -10.497 -9.186 1.00 0.00 H new ATOM 0 HB THR A 66 4.148 -10.855 -9.167 1.00 0.00 H new ATOM 0 HG1 THR A 66 4.039 -12.554 -7.581 1.00 0.00 H new ATOM 0 HG21 THR A 66 5.275 -10.727 -6.929 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.792 -9.129 -7.546 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.827 -9.922 -6.278 1.00 0.00 H new ATOM 1017 N LEU A 67 1.776 -8.154 -7.020 1.00 0.00 N ATOM 1018 CA LEU A 67 1.084 -7.576 -5.883 1.00 0.00 C ATOM 1019 C LEU A 67 -0.246 -6.983 -6.327 1.00 0.00 C ATOM 1020 O LEU A 67 -0.306 -6.175 -7.257 1.00 0.00 O ATOM 1021 CB LEU A 67 1.984 -6.536 -5.206 1.00 0.00 C ATOM 1022 CG LEU A 67 3.240 -7.146 -4.547 1.00 0.00 C ATOM 1023 CD1 LEU A 67 4.028 -6.033 -3.853 1.00 0.00 C ATOM 1024 CD2 LEU A 67 2.939 -8.266 -3.552 1.00 0.00 C ATOM 0 H LEU A 67 2.449 -7.527 -7.460 1.00 0.00 H new ATOM 0 HA LEU A 67 0.864 -8.351 -5.149 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.293 -5.798 -5.946 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.407 -6.005 -4.449 1.00 0.00 H new ATOM 0 HG LEU A 67 3.823 -7.605 -5.345 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.917 -6.455 -3.384 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.325 -5.285 -4.588 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.404 -5.566 -3.092 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.873 -8.641 -3.133 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.310 -7.880 -2.749 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.419 -9.076 -4.063 1.00 0.00 H new ATOM 1036 N LYS A 68 -1.316 -7.391 -5.640 1.00 0.00 N ATOM 1037 CA LYS A 68 -2.675 -6.932 -5.895 1.00 0.00 C ATOM 1038 C LYS A 68 -2.758 -5.422 -5.679 1.00 0.00 C ATOM 1039 O LYS A 68 -1.984 -4.876 -4.890 1.00 0.00 O ATOM 1040 CB LYS A 68 -3.609 -7.598 -4.874 1.00 0.00 C ATOM 1041 CG LYS A 68 -4.096 -8.977 -5.323 1.00 0.00 C ATOM 1042 CD LYS A 68 -4.773 -9.712 -4.160 1.00 0.00 C ATOM 1043 CE LYS A 68 -6.079 -9.012 -3.779 1.00 0.00 C ATOM 1044 NZ LYS A 68 -6.821 -9.750 -2.743 1.00 0.00 N ATOM 0 H LYS A 68 -1.256 -8.064 -4.876 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.957 -7.182 -6.918 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.088 -7.695 -3.922 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.470 -6.952 -4.702 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.797 -8.870 -6.151 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.255 -9.564 -5.692 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.975 -10.745 -4.442 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -4.104 -9.741 -3.300 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.860 -8.006 -3.420 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -6.704 -8.905 -4.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -7.699 -9.241 -2.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.054 -10.701 -3.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.235 -9.830 -1.887 1.00 0.00 H new ATOM 1058 N PRO A 69 -3.742 -4.738 -6.291 1.00 0.00 N ATOM 1059 CA PRO A 69 -3.884 -3.310 -6.106 1.00 0.00 C ATOM 1060 C PRO A 69 -4.161 -2.985 -4.639 1.00 0.00 C ATOM 1061 O PRO A 69 -3.654 -1.968 -4.174 1.00 0.00 O ATOM 1062 CB PRO A 69 -4.958 -2.859 -7.085 1.00 0.00 C ATOM 1063 CG PRO A 69 -5.765 -4.116 -7.366 1.00 0.00 C ATOM 1064 CD PRO A 69 -4.729 -5.232 -7.238 1.00 0.00 C ATOM 0 HA PRO A 69 -2.971 -2.757 -6.325 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -5.581 -2.074 -6.657 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -4.520 -2.456 -7.998 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -6.580 -4.239 -6.653 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -6.212 -4.094 -8.360 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -5.188 -6.154 -6.882 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -4.271 -5.455 -8.202 1.00 0.00 H new ATOM 1072 N SER A 70 -4.859 -3.843 -3.880 1.00 0.00 N ATOM 1073 CA SER A 70 -5.109 -3.577 -2.468 1.00 0.00 C ATOM 1074 C SER A 70 -3.793 -3.509 -1.688 1.00 0.00 C ATOM 1075 O SER A 70 -3.678 -2.792 -0.700 1.00 0.00 O ATOM 1076 CB SER A 70 -6.011 -4.664 -1.862 1.00 0.00 C ATOM 1077 OG SER A 70 -5.439 -5.970 -1.961 1.00 0.00 O ATOM 0 H SER A 70 -5.255 -4.718 -4.223 1.00 0.00 H new ATOM 0 HA SER A 70 -5.615 -2.614 -2.394 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.199 -4.432 -0.814 1.00 0.00 H new ATOM 0 HB3 SER A 70 -6.976 -4.654 -2.369 1.00 0.00 H new ATOM 0 HG SER A 70 -6.048 -6.625 -1.561 1.00 0.00 H new ATOM 1083 N THR A 71 -2.803 -4.302 -2.100 1.00 0.00 N ATOM 1084 CA THR A 71 -1.509 -4.338 -1.449 1.00 0.00 C ATOM 1085 C THR A 71 -0.819 -3.000 -1.701 1.00 0.00 C ATOM 1086 O THR A 71 -0.274 -2.399 -0.775 1.00 0.00 O ATOM 1087 CB THR A 71 -0.720 -5.571 -1.936 1.00 0.00 C ATOM 1088 OG1 THR A 71 -1.535 -6.728 -1.792 1.00 0.00 O ATOM 1089 CG2 THR A 71 0.568 -5.740 -1.132 1.00 0.00 C ATOM 0 H THR A 71 -2.884 -4.935 -2.896 1.00 0.00 H new ATOM 0 HA THR A 71 -1.591 -4.457 -0.369 1.00 0.00 H new ATOM 0 HB THR A 71 -0.452 -5.432 -2.983 1.00 0.00 H new ATOM 0 HG1 THR A 71 -1.004 -7.528 -1.985 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.109 -6.615 -1.492 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.191 -4.854 -1.252 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.324 -5.872 -0.078 1.00 0.00 H new ATOM 1097 N LEU A 72 -0.876 -2.489 -2.932 1.00 0.00 N ATOM 1098 CA LEU A 72 -0.260 -1.212 -3.269 1.00 0.00 C ATOM 1099 C LEU A 72 -1.002 -0.061 -2.597 1.00 0.00 C ATOM 1100 O LEU A 72 -0.387 0.936 -2.244 1.00 0.00 O ATOM 1101 CB LEU A 72 -0.270 -0.984 -4.779 1.00 0.00 C ATOM 1102 CG LEU A 72 0.302 -2.141 -5.614 1.00 0.00 C ATOM 1103 CD1 LEU A 72 0.237 -1.763 -7.092 1.00 0.00 C ATOM 1104 CD2 LEU A 72 1.733 -2.525 -5.228 1.00 0.00 C ATOM 0 H LEU A 72 -1.346 -2.946 -3.714 1.00 0.00 H new ATOM 0 HA LEU A 72 0.770 -1.243 -2.913 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.296 -0.799 -5.097 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.299 -0.081 -4.999 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.309 -3.021 -5.411 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.641 -2.577 -7.694 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.800 -1.581 -7.376 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.824 -0.860 -7.263 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.072 -3.348 -5.858 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.390 -1.667 -5.368 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.757 -2.834 -4.183 1.00 0.00 H new ATOM 1116 N ARG A 73 -2.317 -0.189 -2.404 1.00 0.00 N ATOM 1117 CA ARG A 73 -3.162 0.813 -1.764 1.00 0.00 C ATOM 1118 C ARG A 73 -2.633 1.101 -0.356 1.00 0.00 C ATOM 1119 O ARG A 73 -2.575 2.257 0.064 1.00 0.00 O ATOM 1120 CB ARG A 73 -4.602 0.266 -1.724 1.00 0.00 C ATOM 1121 CG ARG A 73 -5.662 1.325 -1.432 1.00 0.00 C ATOM 1122 CD ARG A 73 -5.993 2.157 -2.673 1.00 0.00 C ATOM 1123 NE ARG A 73 -6.996 3.168 -2.330 1.00 0.00 N ATOM 1124 CZ ARG A 73 -6.750 4.271 -1.616 1.00 0.00 C ATOM 1125 NH1 ARG A 73 -5.512 4.713 -1.436 1.00 0.00 N ATOM 1126 NH2 ARG A 73 -7.759 4.935 -1.084 1.00 0.00 N ATOM 0 H ARG A 73 -2.835 -1.017 -2.698 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.151 1.750 -2.320 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.827 -0.204 -2.681 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -4.663 -0.513 -0.964 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -6.568 0.841 -1.067 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -5.309 1.982 -0.637 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.091 2.638 -3.053 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -6.368 1.512 -3.467 1.00 0.00 H new ATOM 0 HE ARG A 73 -7.950 3.020 -2.659 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -4.726 4.209 -1.846 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -5.346 5.557 -0.888 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -8.715 4.605 -1.220 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -7.583 5.778 -0.537 1.00 0.00 H new ATOM 1140 N GLU A 74 -2.183 0.056 0.342 1.00 0.00 N ATOM 1141 CA GLU A 74 -1.649 0.199 1.690 1.00 0.00 C ATOM 1142 C GLU A 74 -0.306 0.929 1.633 1.00 0.00 C ATOM 1143 O GLU A 74 0.008 1.696 2.547 1.00 0.00 O ATOM 1144 CB GLU A 74 -1.485 -1.186 2.336 1.00 0.00 C ATOM 1145 CG GLU A 74 -2.804 -1.830 2.795 1.00 0.00 C ATOM 1146 CD GLU A 74 -3.418 -1.129 4.011 1.00 0.00 C ATOM 1147 OE1 GLU A 74 -2.742 -0.311 4.680 1.00 0.00 O ATOM 1148 OE2 GLU A 74 -4.589 -1.402 4.360 1.00 0.00 O ATOM 0 H GLU A 74 -2.180 -0.901 -0.010 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.341 0.783 2.297 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.998 -1.851 1.623 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.819 -1.097 3.195 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.518 -1.810 1.972 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.626 -2.878 3.037 1.00 0.00 H new ATOM 1155 N LEU A 75 0.492 0.694 0.582 1.00 0.00 N ATOM 1156 CA LEU A 75 1.784 1.355 0.415 1.00 0.00 C ATOM 1157 C LEU A 75 1.557 2.840 0.115 1.00 0.00 C ATOM 1158 O LEU A 75 2.267 3.688 0.659 1.00 0.00 O ATOM 1159 CB LEU A 75 2.628 0.738 -0.716 1.00 0.00 C ATOM 1160 CG LEU A 75 2.899 -0.771 -0.656 1.00 0.00 C ATOM 1161 CD1 LEU A 75 3.810 -1.190 -1.814 1.00 0.00 C ATOM 1162 CD2 LEU A 75 3.522 -1.183 0.677 1.00 0.00 C ATOM 0 H LEU A 75 0.258 0.044 -0.169 1.00 0.00 H new ATOM 0 HA LEU A 75 2.337 1.222 1.345 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.131 0.953 -1.662 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.589 1.252 -0.737 1.00 0.00 H new ATOM 0 HG LEU A 75 1.940 -1.282 -0.746 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.995 -2.263 -1.761 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.327 -0.951 -2.762 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.757 -0.654 -1.744 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.698 -2.259 0.679 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.469 -0.660 0.813 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.844 -0.925 1.491 1.00 0.00 H new ATOM 1174 N GLU A 76 0.567 3.142 -0.735 1.00 0.00 N ATOM 1175 CA GLU A 76 0.173 4.487 -1.144 1.00 0.00 C ATOM 1176 C GLU A 76 -0.152 5.303 0.101 1.00 0.00 C ATOM 1177 O GLU A 76 0.317 6.424 0.256 1.00 0.00 O ATOM 1178 CB GLU A 76 -1.047 4.408 -2.089 1.00 0.00 C ATOM 1179 CG GLU A 76 -1.644 5.768 -2.480 1.00 0.00 C ATOM 1180 CD GLU A 76 -2.715 5.616 -3.569 1.00 0.00 C ATOM 1181 OE1 GLU A 76 -3.599 4.732 -3.453 1.00 0.00 O ATOM 1182 OE2 GLU A 76 -2.697 6.416 -4.537 1.00 0.00 O ATOM 0 H GLU A 76 -0.004 2.419 -1.173 1.00 0.00 H new ATOM 0 HA GLU A 76 0.987 4.972 -1.683 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.753 3.881 -2.997 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.822 3.810 -1.610 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -2.081 6.242 -1.601 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.852 6.426 -2.836 1.00 0.00 H new ATOM 1189 N ARG A 77 -0.964 4.745 0.999 1.00 0.00 N ATOM 1190 CA ARG A 77 -1.357 5.418 2.223 1.00 0.00 C ATOM 1191 C ARG A 77 -0.124 5.754 3.051 1.00 0.00 C ATOM 1192 O ARG A 77 0.019 6.895 3.478 1.00 0.00 O ATOM 1193 CB ARG A 77 -2.356 4.526 2.976 1.00 0.00 C ATOM 1194 CG ARG A 77 -3.200 5.353 3.949 1.00 0.00 C ATOM 1195 CD ARG A 77 -4.149 4.419 4.695 1.00 0.00 C ATOM 1196 NE ARG A 77 -4.952 5.035 5.763 1.00 0.00 N ATOM 1197 CZ ARG A 77 -5.925 4.366 6.407 1.00 0.00 C ATOM 1198 NH1 ARG A 77 -6.203 3.104 6.092 1.00 0.00 N ATOM 1199 NH2 ARG A 77 -6.612 4.931 7.392 1.00 0.00 N ATOM 0 H ARG A 77 -1.364 3.813 0.892 1.00 0.00 H new ATOM 0 HA ARG A 77 -1.851 6.364 2.004 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.007 4.020 2.263 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -1.818 3.751 3.522 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -2.556 5.879 4.654 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -3.765 6.111 3.407 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -4.828 3.969 3.971 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -3.563 3.609 5.129 1.00 0.00 H new ATOM 0 HE ARG A 77 -4.764 6.003 6.024 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -5.676 2.634 5.356 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -6.943 2.606 6.587 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -6.406 5.890 7.673 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -7.346 4.407 7.868 1.00 0.00 H new ATOM 1213 N TYR A 78 0.787 4.799 3.259 1.00 0.00 N ATOM 1214 CA TYR A 78 1.988 5.046 4.050 1.00 0.00 C ATOM 1215 C TYR A 78 2.837 6.175 3.447 1.00 0.00 C ATOM 1216 O TYR A 78 3.239 7.067 4.203 1.00 0.00 O ATOM 1217 CB TYR A 78 2.781 3.752 4.267 1.00 0.00 C ATOM 1218 CG TYR A 78 4.051 3.927 5.089 1.00 0.00 C ATOM 1219 CD1 TYR A 78 4.001 3.923 6.498 1.00 0.00 C ATOM 1220 CD2 TYR A 78 5.293 4.099 4.444 1.00 0.00 C ATOM 1221 CE1 TYR A 78 5.176 4.103 7.256 1.00 0.00 C ATOM 1222 CE2 TYR A 78 6.470 4.263 5.195 1.00 0.00 C ATOM 1223 CZ TYR A 78 6.421 4.277 6.605 1.00 0.00 C ATOM 1224 OH TYR A 78 7.574 4.471 7.307 1.00 0.00 O ATOM 0 H TYR A 78 0.713 3.851 2.890 1.00 0.00 H new ATOM 0 HA TYR A 78 1.681 5.392 5.037 1.00 0.00 H new ATOM 0 HB2 TYR A 78 2.138 3.024 4.763 1.00 0.00 H new ATOM 0 HB3 TYR A 78 3.045 3.334 3.296 1.00 0.00 H new ATOM 0 HD1 TYR A 78 3.056 3.781 7.000 1.00 0.00 H new ATOM 0 HD2 TYR A 78 5.340 4.105 3.365 1.00 0.00 H new ATOM 0 HE1 TYR A 78 5.126 4.108 8.335 1.00 0.00 H new ATOM 0 HE2 TYR A 78 7.417 4.379 4.690 1.00 0.00 H new ATOM 0 HH TYR A 78 8.261 3.851 6.985 1.00 0.00 H new ATOM 1234 N VAL A 79 3.103 6.195 2.129 1.00 0.00 N ATOM 1235 CA VAL A 79 3.902 7.272 1.544 1.00 0.00 C ATOM 1236 C VAL A 79 3.163 8.601 1.661 1.00 0.00 C ATOM 1237 O VAL A 79 3.772 9.592 2.067 1.00 0.00 O ATOM 1238 CB VAL A 79 4.372 6.984 0.103 1.00 0.00 C ATOM 1239 CG1 VAL A 79 5.207 5.708 0.064 1.00 0.00 C ATOM 1240 CG2 VAL A 79 3.290 6.830 -0.970 1.00 0.00 C ATOM 0 H VAL A 79 2.781 5.491 1.465 1.00 0.00 H new ATOM 0 HA VAL A 79 4.823 7.337 2.124 1.00 0.00 H new ATOM 0 HB VAL A 79 4.930 7.887 -0.147 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.532 5.517 -0.959 1.00 0.00 H new ATOM 0 HG12 VAL A 79 6.080 5.825 0.706 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.607 4.869 0.417 1.00 0.00 H new ATOM 0 HG21 VAL A 79 3.759 6.631 -1.934 1.00 0.00 H new ATOM 0 HG22 VAL A 79 2.633 6.001 -0.708 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.707 7.749 -1.033 1.00 0.00 H new ATOM 1250 N THR A 80 1.859 8.653 1.378 1.00 0.00 N ATOM 1251 CA THR A 80 1.130 9.908 1.491 1.00 0.00 C ATOM 1252 C THR A 80 1.080 10.354 2.958 1.00 0.00 C ATOM 1253 O THR A 80 1.024 11.549 3.207 1.00 0.00 O ATOM 1254 CB THR A 80 -0.265 9.766 0.855 1.00 0.00 C ATOM 1255 OG1 THR A 80 -0.172 9.245 -0.459 1.00 0.00 O ATOM 1256 CG2 THR A 80 -0.997 11.100 0.747 1.00 0.00 C ATOM 0 H THR A 80 1.300 7.855 1.075 1.00 0.00 H new ATOM 0 HA THR A 80 1.648 10.693 0.940 1.00 0.00 H new ATOM 0 HB THR A 80 -0.817 9.094 1.512 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.013 8.284 -0.417 1.00 0.00 H new ATOM 0 HG21 THR A 80 -1.975 10.943 0.292 1.00 0.00 H new ATOM 0 HG22 THR A 80 -1.124 11.527 1.742 1.00 0.00 H new ATOM 0 HG23 THR A 80 -0.416 11.785 0.130 1.00 0.00 H new ATOM 1264 N SER A 81 1.186 9.474 3.948 1.00 0.00 N ATOM 1265 CA SER A 81 1.149 9.897 5.343 1.00 0.00 C ATOM 1266 C SER A 81 2.548 10.278 5.844 1.00 0.00 C ATOM 1267 O SER A 81 2.655 10.988 6.841 1.00 0.00 O ATOM 1268 CB SER A 81 0.550 8.785 6.209 1.00 0.00 C ATOM 1269 OG SER A 81 -0.770 8.448 5.824 1.00 0.00 O ATOM 0 H SER A 81 1.298 8.469 3.812 1.00 0.00 H new ATOM 0 HA SER A 81 0.519 10.783 5.418 1.00 0.00 H new ATOM 0 HB2 SER A 81 1.181 7.899 6.144 1.00 0.00 H new ATOM 0 HB3 SER A 81 0.551 9.101 7.252 1.00 0.00 H new ATOM 0 HG SER A 81 -0.744 7.899 5.013 1.00 0.00 H new ATOM 1275 N CYS A 82 3.632 9.807 5.210 1.00 0.00 N ATOM 1276 CA CYS A 82 4.995 10.132 5.629 1.00 0.00 C ATOM 1277 C CYS A 82 5.539 11.346 4.872 1.00 0.00 C ATOM 1278 O CYS A 82 6.302 12.128 5.443 1.00 0.00 O ATOM 1279 CB CYS A 82 5.918 8.918 5.443 1.00 0.00 C ATOM 1280 SG CYS A 82 7.456 9.164 6.383 1.00 0.00 S ATOM 0 H CYS A 82 3.585 9.193 4.397 1.00 0.00 H new ATOM 0 HA CYS A 82 4.967 10.389 6.688 1.00 0.00 H new ATOM 0 HB2 CYS A 82 5.415 8.012 5.781 1.00 0.00 H new ATOM 0 HB3 CYS A 82 6.145 8.781 4.386 1.00 0.00 H new ATOM 0 HG CYS A 82 8.232 8.133 6.223 1.00 0.00 H new ATOM 1286 N LEU A 83 5.164 11.501 3.601 1.00 0.00 N ATOM 1287 CA LEU A 83 5.592 12.582 2.719 1.00 0.00 C ATOM 1288 C LEU A 83 4.507 13.650 2.617 1.00 0.00 C ATOM 1289 O LEU A 83 4.761 14.837 2.815 1.00 0.00 O ATOM 1290 CB LEU A 83 5.897 12.044 1.302 1.00 0.00 C ATOM 1291 CG LEU A 83 6.748 10.761 1.207 1.00 0.00 C ATOM 1292 CD1 LEU A 83 6.873 10.365 -0.268 1.00 0.00 C ATOM 1293 CD2 LEU A 83 8.147 10.941 1.802 1.00 0.00 C ATOM 0 H LEU A 83 4.528 10.849 3.142 1.00 0.00 H new ATOM 0 HA LEU A 83 6.496 13.018 3.144 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.948 11.859 0.799 1.00 0.00 H new ATOM 0 HB3 LEU A 83 6.406 12.830 0.744 1.00 0.00 H new ATOM 0 HG LEU A 83 6.248 9.983 1.784 1.00 0.00 H new ATOM 0 HD11 LEU A 83 7.473 9.459 -0.352 1.00 0.00 H new ATOM 0 HD12 LEU A 83 5.881 10.183 -0.681 1.00 0.00 H new ATOM 0 HD13 LEU A 83 7.355 11.171 -0.822 1.00 0.00 H new ATOM 0 HD21 LEU A 83 8.704 10.009 1.710 1.00 0.00 H new ATOM 0 HD22 LEU A 83 8.671 11.732 1.266 1.00 0.00 H new ATOM 0 HD23 LEU A 83 8.063 11.211 2.855 1.00 0.00 H new