USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 496 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 48 THR OG1 : rot 74:sc= -0.287 USER MOD Set 1.2: A 52 THR OG1 : rot -70:sc= 0.434 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 16:sc= -12.3! USER MOD Single : A 17 MET CE :methyl -117:sc= -3.89 (180deg=-10.6!) USER MOD Single : A 18 LYS NZ :NH3+ 178:sc= 1.17 (180deg=1.04) USER MOD Single : A 29 ASN : amide:sc= -0.205 X(o=-0.2,f=-0.0045) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 120:sc= 0 USER MOD Single : A 37 MET CE :methyl 136:sc= -1.36 (180deg=-3.93!) USER MOD Single : A 39 MET CE :methyl -107:sc= -2.08 (180deg=-5.64!) USER MOD Single : A 41 THR OG1 : rot 77:sc= 0.0584 USER MOD Single : A 42 LYS NZ :NH3+ -163:sc= -0.123 (180deg=-0.482) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot 47:sc= 0.919 USER MOD Single : A 47 TYR OH : rot 180:sc= -1.73 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl 153:sc= -0.0465 (180deg=-1.65) USER MOD Single : A 57 LYS NZ :NH3+ -127:sc= 1.18 (180deg=-0.671) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -1.1 X(o=-1.1,f=-0.72) USER MOD Single : A 76 THR OG1 : rot 50:sc= 1.17 USER MOD Single : A 78 CYS SG : rot 140:sc= -1.74 USER MOD Single : A 79 SER OG : rot 66:sc= 1.3 USER MOD Single : A 80 LYS NZ :NH3+ 173:sc= 0.677 (180deg=0.648) USER MOD ----------------------------------------------------------------- ATOM 158 N GLU A 12 27.160 -30.255 -22.806 1.00 0.00 N ATOM 159 CA GLU A 12 28.301 -29.318 -22.792 1.00 0.00 C ATOM 160 C GLU A 12 28.427 -28.518 -24.095 1.00 0.00 C ATOM 161 O GLU A 12 28.901 -27.385 -24.113 1.00 0.00 O ATOM 162 CB GLU A 12 29.638 -29.995 -22.472 1.00 0.00 C ATOM 163 CG GLU A 12 29.665 -30.517 -21.034 1.00 0.00 C ATOM 164 CD GLU A 12 30.083 -29.429 -20.049 1.00 0.00 C ATOM 165 OE1 GLU A 12 29.625 -28.275 -20.185 1.00 0.00 O ATOM 166 OE2 GLU A 12 30.891 -29.724 -19.144 1.00 0.00 O ATOM 0 HA GLU A 12 28.074 -28.626 -21.981 1.00 0.00 H new ATOM 0 HB2 GLU A 12 29.805 -30.820 -23.164 1.00 0.00 H new ATOM 0 HB3 GLU A 12 30.452 -29.285 -22.619 1.00 0.00 H new ATOM 0 HG2 GLU A 12 28.678 -30.893 -20.764 1.00 0.00 H new ATOM 0 HG3 GLU A 12 30.356 -31.357 -20.964 1.00 0.00 H new ATOM 173 N LYS A 13 28.002 -29.129 -25.200 1.00 0.00 N ATOM 174 CA LYS A 13 27.886 -28.380 -26.438 1.00 0.00 C ATOM 175 C LYS A 13 26.894 -27.198 -26.322 1.00 0.00 C ATOM 176 O LYS A 13 27.210 -26.059 -26.685 1.00 0.00 O ATOM 177 CB LYS A 13 27.558 -29.273 -27.645 1.00 0.00 C ATOM 178 CG LYS A 13 27.535 -28.471 -28.954 1.00 0.00 C ATOM 179 CD LYS A 13 26.159 -27.827 -29.164 1.00 0.00 C ATOM 180 CE LYS A 13 26.274 -26.387 -29.654 1.00 0.00 C ATOM 181 NZ LYS A 13 26.464 -26.351 -31.118 1.00 0.00 N ATOM 0 H LYS A 13 27.740 -30.113 -25.259 1.00 0.00 H new ATOM 0 HA LYS A 13 28.873 -27.955 -26.620 1.00 0.00 H new ATOM 0 HB2 LYS A 13 28.297 -30.070 -27.720 1.00 0.00 H new ATOM 0 HB3 LYS A 13 26.590 -29.749 -27.493 1.00 0.00 H new ATOM 0 HG2 LYS A 13 28.304 -27.699 -28.928 1.00 0.00 H new ATOM 0 HG3 LYS A 13 27.769 -29.126 -29.793 1.00 0.00 H new ATOM 0 HD2 LYS A 13 25.591 -28.412 -29.887 1.00 0.00 H new ATOM 0 HD3 LYS A 13 25.601 -27.848 -28.228 1.00 0.00 H new ATOM 0 HE2 LYS A 13 25.375 -25.832 -29.385 1.00 0.00 H new ATOM 0 HE3 LYS A 13 27.112 -25.895 -29.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 26.540 -25.363 -31.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 27.334 -26.863 -31.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 25.651 -26.802 -31.585 1.00 0.00 H new ATOM 195 N ASP A 14 25.666 -27.460 -25.841 1.00 0.00 N ATOM 196 CA ASP A 14 24.734 -26.332 -25.674 1.00 0.00 C ATOM 197 C ASP A 14 25.260 -25.317 -24.656 1.00 0.00 C ATOM 198 O ASP A 14 25.155 -24.101 -24.825 1.00 0.00 O ATOM 199 CB ASP A 14 23.310 -26.779 -25.315 1.00 0.00 C ATOM 200 CG ASP A 14 22.283 -25.701 -25.643 1.00 0.00 C ATOM 201 OD1 ASP A 14 22.022 -25.468 -26.843 1.00 0.00 O ATOM 202 OD2 ASP A 14 21.730 -25.086 -24.706 1.00 0.00 O ATOM 0 H ASP A 14 25.312 -28.379 -25.576 1.00 0.00 H new ATOM 0 HA ASP A 14 24.674 -25.844 -26.647 1.00 0.00 H new ATOM 0 HB2 ASP A 14 23.067 -27.692 -25.859 1.00 0.00 H new ATOM 0 HB3 ASP A 14 23.260 -27.018 -24.253 1.00 0.00 H new ATOM 207 N GLU A 15 25.884 -25.846 -23.612 1.00 0.00 N ATOM 208 CA GLU A 15 26.565 -24.993 -22.649 1.00 0.00 C ATOM 209 C GLU A 15 27.615 -24.082 -23.263 1.00 0.00 C ATOM 210 O GLU A 15 27.671 -22.900 -22.937 1.00 0.00 O ATOM 211 CB GLU A 15 27.197 -25.831 -21.526 1.00 0.00 C ATOM 212 CG GLU A 15 26.225 -26.008 -20.358 1.00 0.00 C ATOM 213 CD GLU A 15 26.304 -24.858 -19.359 1.00 0.00 C ATOM 214 OE1 GLU A 15 26.291 -23.684 -19.787 1.00 0.00 O ATOM 215 OE2 GLU A 15 26.367 -25.123 -18.140 1.00 0.00 O ATOM 0 H GLU A 15 25.933 -26.845 -23.412 1.00 0.00 H new ATOM 0 HA GLU A 15 25.791 -24.344 -22.240 1.00 0.00 H new ATOM 0 HB2 GLU A 15 27.485 -26.808 -21.915 1.00 0.00 H new ATOM 0 HB3 GLU A 15 28.108 -25.346 -21.175 1.00 0.00 H new ATOM 0 HG2 GLU A 15 25.208 -26.083 -20.743 1.00 0.00 H new ATOM 0 HG3 GLU A 15 26.442 -26.946 -19.847 1.00 0.00 H new ATOM 222 N CYS A 16 28.459 -24.603 -24.152 1.00 0.00 N ATOM 223 CA CYS A 16 29.531 -23.730 -24.670 1.00 0.00 C ATOM 224 C CYS A 16 28.957 -22.722 -25.673 1.00 0.00 C ATOM 225 O CYS A 16 29.452 -21.601 -25.738 1.00 0.00 O ATOM 226 CB CYS A 16 30.544 -24.628 -25.385 1.00 0.00 C ATOM 227 SG CYS A 16 29.737 -25.955 -26.310 1.00 0.00 S ATOM 0 H CYS A 16 28.437 -25.556 -24.514 1.00 0.00 H new ATOM 0 HA CYS A 16 29.996 -23.178 -23.853 1.00 0.00 H new ATOM 0 HB2 CYS A 16 31.146 -24.026 -26.065 1.00 0.00 H new ATOM 0 HB3 CYS A 16 31.227 -25.059 -24.653 1.00 0.00 H new ATOM 0 HG CYS A 16 28.473 -25.682 -26.446 1.00 0.00 H new ATOM 233 N MET A 17 27.939 -23.043 -26.482 1.00 0.00 N ATOM 234 CA MET A 17 27.364 -21.950 -27.307 1.00 0.00 C ATOM 235 C MET A 17 26.685 -20.876 -26.422 1.00 0.00 C ATOM 236 O MET A 17 26.750 -19.675 -26.694 1.00 0.00 O ATOM 237 CB MET A 17 26.509 -22.402 -28.509 1.00 0.00 C ATOM 238 CG MET A 17 26.852 -21.687 -29.850 1.00 0.00 C ATOM 239 SD MET A 17 27.932 -20.233 -29.628 1.00 0.00 S ATOM 240 CE MET A 17 29.292 -20.531 -30.815 1.00 0.00 C ATOM 0 H MET A 17 27.518 -23.966 -26.588 1.00 0.00 H new ATOM 0 HA MET A 17 28.216 -21.478 -27.796 1.00 0.00 H new ATOM 0 HB2 MET A 17 26.632 -23.477 -28.643 1.00 0.00 H new ATOM 0 HB3 MET A 17 25.458 -22.228 -28.277 1.00 0.00 H new ATOM 0 HG2 MET A 17 27.340 -22.396 -30.519 1.00 0.00 H new ATOM 0 HG3 MET A 17 25.927 -21.375 -30.336 1.00 0.00 H new ATOM 0 HE1 MET A 17 30.232 -20.637 -30.273 1.00 0.00 H new ATOM 0 HE2 MET A 17 29.092 -21.444 -31.376 1.00 0.00 H new ATOM 0 HE3 MET A 17 29.364 -19.690 -31.505 1.00 0.00 H new ATOM 250 N LYS A 18 26.080 -21.298 -25.310 1.00 0.00 N ATOM 251 CA LYS A 18 25.613 -20.321 -24.324 1.00 0.00 C ATOM 252 C LYS A 18 26.777 -19.577 -23.617 1.00 0.00 C ATOM 253 O LYS A 18 26.687 -18.389 -23.309 1.00 0.00 O ATOM 254 CB LYS A 18 24.612 -20.974 -23.357 1.00 0.00 C ATOM 255 CG LYS A 18 24.216 -20.055 -22.197 1.00 0.00 C ATOM 256 CD LYS A 18 25.040 -20.379 -20.948 1.00 0.00 C ATOM 257 CE LYS A 18 24.196 -21.085 -19.881 1.00 0.00 C ATOM 258 NZ LYS A 18 24.034 -22.507 -20.228 1.00 0.00 N ATOM 0 H LYS A 18 25.906 -22.275 -25.074 1.00 0.00 H new ATOM 0 HA LYS A 18 25.076 -19.534 -24.853 1.00 0.00 H new ATOM 0 HB2 LYS A 18 23.717 -21.261 -23.908 1.00 0.00 H new ATOM 0 HB3 LYS A 18 25.047 -21.890 -22.956 1.00 0.00 H new ATOM 0 HG2 LYS A 18 24.370 -19.014 -22.481 1.00 0.00 H new ATOM 0 HG3 LYS A 18 23.154 -20.172 -21.979 1.00 0.00 H new ATOM 0 HD2 LYS A 18 25.884 -21.012 -21.223 1.00 0.00 H new ATOM 0 HD3 LYS A 18 25.453 -19.459 -20.535 1.00 0.00 H new ATOM 0 HE2 LYS A 18 24.675 -20.992 -18.906 1.00 0.00 H new ATOM 0 HE3 LYS A 18 23.219 -20.607 -19.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 23.489 -22.986 -19.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 23.528 -22.588 -21.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 24.970 -22.952 -20.313 1.00 0.00 H new ATOM 272 N ILE A 19 27.876 -20.286 -23.357 1.00 0.00 N ATOM 273 CA ILE A 19 29.113 -19.617 -22.913 1.00 0.00 C ATOM 274 C ILE A 19 29.578 -18.577 -23.936 1.00 0.00 C ATOM 275 O ILE A 19 30.085 -17.514 -23.592 1.00 0.00 O ATOM 276 CB ILE A 19 30.229 -20.630 -22.584 1.00 0.00 C ATOM 277 CG1 ILE A 19 30.764 -20.427 -21.160 1.00 0.00 C ATOM 278 CG2 ILE A 19 31.397 -20.600 -23.571 1.00 0.00 C ATOM 279 CD1 ILE A 19 31.803 -19.315 -21.087 1.00 0.00 C ATOM 0 H ILE A 19 27.943 -21.300 -23.441 1.00 0.00 H new ATOM 0 HA ILE A 19 28.882 -19.089 -21.988 1.00 0.00 H new ATOM 0 HB ILE A 19 29.758 -21.609 -22.668 1.00 0.00 H new ATOM 0 HG12 ILE A 19 29.935 -20.191 -20.493 1.00 0.00 H new ATOM 0 HG13 ILE A 19 31.205 -21.358 -20.804 1.00 0.00 H new ATOM 0 HG21 ILE A 19 32.142 -21.339 -23.275 1.00 0.00 H new ATOM 0 HG22 ILE A 19 31.033 -20.832 -24.572 1.00 0.00 H new ATOM 0 HG23 ILE A 19 31.849 -19.608 -23.570 1.00 0.00 H new ATOM 0 HD11 ILE A 19 32.151 -19.209 -20.060 1.00 0.00 H new ATOM 0 HD12 ILE A 19 32.646 -19.562 -21.732 1.00 0.00 H new ATOM 0 HD13 ILE A 19 31.356 -18.377 -21.417 1.00 0.00 H new ATOM 291 N PHE A 20 29.475 -18.933 -25.212 1.00 0.00 N ATOM 292 CA PHE A 20 29.705 -17.945 -26.265 1.00 0.00 C ATOM 293 C PHE A 20 28.863 -16.693 -26.019 1.00 0.00 C ATOM 294 O PHE A 20 29.360 -15.579 -25.973 1.00 0.00 O ATOM 295 CB PHE A 20 29.394 -18.495 -27.666 1.00 0.00 C ATOM 296 CG PHE A 20 30.168 -17.755 -28.739 1.00 0.00 C ATOM 297 CD1 PHE A 20 29.774 -16.515 -29.131 1.00 0.00 C ATOM 298 CD2 PHE A 20 31.391 -18.210 -29.095 1.00 0.00 C ATOM 299 CE1 PHE A 20 30.668 -15.677 -29.706 1.00 0.00 C ATOM 300 CE2 PHE A 20 32.304 -17.355 -29.610 1.00 0.00 C ATOM 301 CZ PHE A 20 31.953 -16.073 -29.870 1.00 0.00 C ATOM 0 H PHE A 20 29.241 -19.870 -25.539 1.00 0.00 H new ATOM 0 HA PHE A 20 30.765 -17.695 -26.229 1.00 0.00 H new ATOM 0 HB2 PHE A 20 29.641 -19.556 -27.704 1.00 0.00 H new ATOM 0 HB3 PHE A 20 28.325 -18.409 -27.863 1.00 0.00 H new ATOM 0 HD1 PHE A 20 28.752 -16.199 -28.984 1.00 0.00 H new ATOM 0 HD2 PHE A 20 31.638 -19.254 -28.968 1.00 0.00 H new ATOM 0 HE1 PHE A 20 30.358 -14.696 -30.033 1.00 0.00 H new ATOM 0 HE2 PHE A 20 33.309 -17.693 -29.813 1.00 0.00 H new ATOM 0 HZ PHE A 20 32.697 -15.367 -30.208 1.00 0.00 H new ATOM 311 N ASP A 21 27.582 -16.902 -25.761 1.00 0.00 N ATOM 312 CA ASP A 21 26.703 -15.757 -25.461 1.00 0.00 C ATOM 313 C ASP A 21 27.101 -14.958 -24.213 1.00 0.00 C ATOM 314 O ASP A 21 27.105 -13.726 -24.214 1.00 0.00 O ATOM 315 CB ASP A 21 25.233 -16.194 -25.379 1.00 0.00 C ATOM 316 CG ASP A 21 24.271 -15.031 -25.590 1.00 0.00 C ATOM 317 OD1 ASP A 21 23.987 -14.687 -26.757 1.00 0.00 O ATOM 318 OD2 ASP A 21 23.783 -14.466 -24.587 1.00 0.00 O ATOM 0 H ASP A 21 27.129 -17.816 -25.750 1.00 0.00 H new ATOM 0 HA ASP A 21 26.832 -15.073 -26.300 1.00 0.00 H new ATOM 0 HB2 ASP A 21 25.042 -16.961 -26.129 1.00 0.00 H new ATOM 0 HB3 ASP A 21 25.045 -16.646 -24.405 1.00 0.00 H new ATOM 323 N ILE A 22 27.440 -15.655 -23.136 1.00 0.00 N ATOM 324 CA ILE A 22 27.861 -14.920 -21.923 1.00 0.00 C ATOM 325 C ILE A 22 29.255 -14.285 -22.078 1.00 0.00 C ATOM 326 O ILE A 22 29.468 -13.117 -21.753 1.00 0.00 O ATOM 327 CB ILE A 22 27.782 -15.686 -20.572 1.00 0.00 C ATOM 328 CG1 ILE A 22 26.361 -16.181 -20.260 1.00 0.00 C ATOM 329 CG2 ILE A 22 28.217 -14.757 -19.434 1.00 0.00 C ATOM 330 CD1 ILE A 22 26.403 -17.298 -19.216 1.00 0.00 C ATOM 0 H ILE A 22 27.438 -16.672 -23.063 1.00 0.00 H new ATOM 0 HA ILE A 22 27.096 -14.146 -21.854 1.00 0.00 H new ATOM 0 HB ILE A 22 28.439 -16.551 -20.658 1.00 0.00 H new ATOM 0 HG12 ILE A 22 25.753 -15.354 -19.893 1.00 0.00 H new ATOM 0 HG13 ILE A 22 25.887 -16.544 -21.172 1.00 0.00 H new ATOM 0 HG21 ILE A 22 28.162 -15.292 -18.486 1.00 0.00 H new ATOM 0 HG22 ILE A 22 29.241 -14.427 -19.605 1.00 0.00 H new ATOM 0 HG23 ILE A 22 27.557 -13.890 -19.400 1.00 0.00 H new ATOM 0 HD11 ILE A 22 25.389 -17.638 -19.006 1.00 0.00 H new ATOM 0 HD12 ILE A 22 26.993 -18.131 -19.598 1.00 0.00 H new ATOM 0 HD13 ILE A 22 26.857 -16.922 -18.299 1.00 0.00 H new ATOM 342 N PHE A 23 30.212 -15.069 -22.552 1.00 0.00 N ATOM 343 CA PHE A 23 31.589 -14.557 -22.659 1.00 0.00 C ATOM 344 C PHE A 23 31.792 -13.663 -23.888 1.00 0.00 C ATOM 345 O PHE A 23 32.649 -12.779 -23.893 1.00 0.00 O ATOM 346 CB PHE A 23 32.645 -15.674 -22.579 1.00 0.00 C ATOM 347 CG PHE A 23 32.778 -16.237 -21.160 1.00 0.00 C ATOM 348 CD1 PHE A 23 31.670 -16.384 -20.392 1.00 0.00 C ATOM 349 CD2 PHE A 23 33.958 -16.751 -20.718 1.00 0.00 C ATOM 350 CE1 PHE A 23 31.794 -16.716 -19.088 1.00 0.00 C ATOM 351 CE2 PHE A 23 34.073 -17.138 -19.423 1.00 0.00 C ATOM 352 CZ PHE A 23 32.970 -17.200 -18.635 1.00 0.00 C ATOM 0 H PHE A 23 30.079 -16.032 -22.862 1.00 0.00 H new ATOM 0 HA PHE A 23 31.739 -13.924 -21.785 1.00 0.00 H new ATOM 0 HB2 PHE A 23 32.375 -16.478 -23.264 1.00 0.00 H new ATOM 0 HB3 PHE A 23 33.609 -15.286 -22.907 1.00 0.00 H new ATOM 0 HD1 PHE A 23 30.690 -16.236 -20.822 1.00 0.00 H new ATOM 0 HD2 PHE A 23 34.796 -16.850 -21.392 1.00 0.00 H new ATOM 0 HE1 PHE A 23 30.959 -16.595 -18.414 1.00 0.00 H new ATOM 0 HE2 PHE A 23 35.041 -17.396 -19.020 1.00 0.00 H new ATOM 0 HZ PHE A 23 33.033 -17.635 -17.649 1.00 0.00 H new ATOM 362 N ASP A 24 31.009 -13.888 -24.947 1.00 0.00 N ATOM 363 CA ASP A 24 30.996 -12.898 -26.020 1.00 0.00 C ATOM 364 C ASP A 24 30.230 -11.623 -25.577 1.00 0.00 C ATOM 365 O ASP A 24 30.259 -10.594 -26.244 1.00 0.00 O ATOM 366 CB ASP A 24 30.537 -13.443 -27.383 1.00 0.00 C ATOM 367 CG ASP A 24 29.150 -12.973 -27.820 1.00 0.00 C ATOM 368 OD1 ASP A 24 29.029 -11.816 -28.279 1.00 0.00 O ATOM 369 OD2 ASP A 24 28.185 -13.760 -27.729 1.00 0.00 O ATOM 0 H ASP A 24 30.408 -14.701 -25.081 1.00 0.00 H new ATOM 0 HA ASP A 24 32.034 -12.618 -26.198 1.00 0.00 H new ATOM 0 HB2 ASP A 24 31.262 -13.147 -28.141 1.00 0.00 H new ATOM 0 HB3 ASP A 24 30.542 -14.532 -27.345 1.00 0.00 H new ATOM 437 N ASN A 29 31.890 -10.966 -29.235 1.00 0.00 N ATOM 438 CA ASN A 29 32.409 -11.921 -30.228 1.00 0.00 C ATOM 439 C ASN A 29 33.928 -12.100 -30.247 1.00 0.00 C ATOM 440 O ASN A 29 34.525 -12.349 -31.293 1.00 0.00 O ATOM 441 CB ASN A 29 31.862 -11.608 -31.634 1.00 0.00 C ATOM 442 CG ASN A 29 30.391 -12.003 -31.790 1.00 0.00 C ATOM 443 OD1 ASN A 29 30.039 -12.818 -32.640 1.00 0.00 O ATOM 444 ND2 ASN A 29 29.510 -11.427 -30.988 1.00 0.00 N ATOM 0 HA ASN A 29 32.033 -12.889 -29.898 1.00 0.00 H new ATOM 0 HB2 ASN A 29 31.972 -10.542 -31.835 1.00 0.00 H new ATOM 0 HB3 ASN A 29 32.458 -12.136 -32.378 1.00 0.00 H new ATOM 0 HD21 ASN A 29 28.520 -11.657 -31.069 1.00 0.00 H new ATOM 0 HD22 ASN A 29 29.821 -10.753 -30.289 1.00 0.00 H new ATOM 451 N ILE A 30 34.565 -11.948 -29.095 1.00 0.00 N ATOM 452 CA ILE A 30 35.984 -12.301 -29.012 1.00 0.00 C ATOM 453 C ILE A 30 36.272 -12.887 -27.624 1.00 0.00 C ATOM 454 O ILE A 30 36.102 -12.229 -26.595 1.00 0.00 O ATOM 455 CB ILE A 30 36.996 -11.200 -29.417 1.00 0.00 C ATOM 456 CG1 ILE A 30 37.131 -10.137 -28.304 1.00 0.00 C ATOM 457 CG2 ILE A 30 36.614 -10.540 -30.747 1.00 0.00 C ATOM 458 CD1 ILE A 30 37.921 -8.905 -28.753 1.00 0.00 C ATOM 0 H ILE A 30 34.147 -11.597 -28.233 1.00 0.00 H new ATOM 0 HA ILE A 30 36.152 -13.051 -29.785 1.00 0.00 H new ATOM 0 HB ILE A 30 37.963 -11.684 -29.553 1.00 0.00 H new ATOM 0 HG12 ILE A 30 36.137 -9.828 -27.981 1.00 0.00 H new ATOM 0 HG13 ILE A 30 37.623 -10.583 -27.440 1.00 0.00 H new ATOM 0 HG21 ILE A 30 37.348 -9.774 -30.997 1.00 0.00 H new ATOM 0 HG22 ILE A 30 36.594 -11.293 -31.534 1.00 0.00 H new ATOM 0 HG23 ILE A 30 35.628 -10.083 -30.657 1.00 0.00 H new ATOM 0 HD11 ILE A 30 37.983 -8.193 -27.930 1.00 0.00 H new ATOM 0 HD12 ILE A 30 38.926 -9.205 -29.050 1.00 0.00 H new ATOM 0 HD13 ILE A 30 37.417 -8.438 -29.599 1.00 0.00 H new ATOM 470 N ALA A 31 36.665 -14.150 -27.591 1.00 0.00 N ATOM 471 CA ALA A 31 36.842 -14.817 -26.293 1.00 0.00 C ATOM 472 C ALA A 31 38.307 -15.230 -26.056 1.00 0.00 C ATOM 473 O ALA A 31 38.810 -16.149 -26.703 1.00 0.00 O ATOM 474 CB ALA A 31 35.896 -16.013 -26.166 1.00 0.00 C ATOM 0 H ALA A 31 36.864 -14.724 -28.410 1.00 0.00 H new ATOM 0 HA ALA A 31 36.586 -14.099 -25.514 1.00 0.00 H new ATOM 0 HB1 ALA A 31 36.043 -16.492 -25.198 1.00 0.00 H new ATOM 0 HB2 ALA A 31 34.864 -15.671 -26.248 1.00 0.00 H new ATOM 0 HB3 ALA A 31 36.106 -16.729 -26.961 1.00 0.00 H new ATOM 480 N PRO A 32 39.005 -14.610 -25.091 1.00 0.00 N ATOM 481 CA PRO A 32 40.457 -14.835 -24.998 1.00 0.00 C ATOM 482 C PRO A 32 40.802 -16.002 -24.053 1.00 0.00 C ATOM 483 O PRO A 32 39.928 -16.628 -23.458 1.00 0.00 O ATOM 484 CB PRO A 32 41.005 -13.487 -24.502 1.00 0.00 C ATOM 485 CG PRO A 32 39.818 -12.708 -23.935 1.00 0.00 C ATOM 486 CD PRO A 32 38.571 -13.308 -24.578 1.00 0.00 C ATOM 0 HA PRO A 32 40.899 -15.132 -25.949 1.00 0.00 H new ATOM 0 HB2 PRO A 32 41.768 -13.638 -23.739 1.00 0.00 H new ATOM 0 HB3 PRO A 32 41.474 -12.937 -25.318 1.00 0.00 H new ATOM 0 HG2 PRO A 32 39.777 -12.796 -22.849 1.00 0.00 H new ATOM 0 HG3 PRO A 32 39.903 -11.646 -24.166 1.00 0.00 H new ATOM 0 HD2 PRO A 32 37.765 -13.417 -23.852 1.00 0.00 H new ATOM 0 HD3 PRO A 32 38.194 -12.672 -25.379 1.00 0.00 H new ATOM 494 N VAL A 33 42.095 -16.303 -23.923 1.00 0.00 N ATOM 495 CA VAL A 33 42.508 -17.406 -22.999 1.00 0.00 C ATOM 496 C VAL A 33 41.894 -17.283 -21.595 1.00 0.00 C ATOM 497 O VAL A 33 41.438 -18.266 -21.011 1.00 0.00 O ATOM 498 CB VAL A 33 44.042 -17.589 -22.858 1.00 0.00 C ATOM 499 CG1 VAL A 33 44.470 -18.971 -23.366 1.00 0.00 C ATOM 500 CG2 VAL A 33 44.836 -16.495 -23.582 1.00 0.00 C ATOM 0 H VAL A 33 42.857 -15.834 -24.413 1.00 0.00 H new ATOM 0 HA VAL A 33 42.110 -18.294 -23.490 1.00 0.00 H new ATOM 0 HB VAL A 33 44.270 -17.506 -21.795 1.00 0.00 H new ATOM 0 HG11 VAL A 33 45.549 -19.080 -23.259 1.00 0.00 H new ATOM 0 HG12 VAL A 33 43.968 -19.744 -22.784 1.00 0.00 H new ATOM 0 HG13 VAL A 33 44.198 -19.073 -24.417 1.00 0.00 H new ATOM 0 HG21 VAL A 33 45.903 -16.672 -23.450 1.00 0.00 H new ATOM 0 HG22 VAL A 33 44.594 -16.512 -24.645 1.00 0.00 H new ATOM 0 HG23 VAL A 33 44.576 -15.521 -23.166 1.00 0.00 H new ATOM 510 N SER A 34 41.919 -16.084 -21.022 1.00 0.00 N ATOM 511 CA SER A 34 41.287 -15.899 -19.703 1.00 0.00 C ATOM 512 C SER A 34 39.807 -16.305 -19.684 1.00 0.00 C ATOM 513 O SER A 34 39.303 -16.834 -18.693 1.00 0.00 O ATOM 514 CB SER A 34 41.463 -14.480 -19.151 1.00 0.00 C ATOM 515 OG SER A 34 40.874 -13.535 -20.035 1.00 0.00 O ATOM 0 H SER A 34 42.349 -15.251 -21.423 1.00 0.00 H new ATOM 0 HA SER A 34 41.821 -16.579 -19.040 1.00 0.00 H new ATOM 0 HB2 SER A 34 41.002 -14.405 -18.166 1.00 0.00 H new ATOM 0 HB3 SER A 34 42.523 -14.260 -19.024 1.00 0.00 H new ATOM 0 HG SER A 34 40.990 -12.632 -19.673 1.00 0.00 H new ATOM 521 N ASP A 35 39.103 -16.037 -20.779 1.00 0.00 N ATOM 522 CA ASP A 35 37.747 -16.571 -20.914 1.00 0.00 C ATOM 523 C ASP A 35 37.714 -18.113 -20.864 1.00 0.00 C ATOM 524 O ASP A 35 36.850 -18.696 -20.218 1.00 0.00 O ATOM 525 CB ASP A 35 37.003 -15.939 -22.109 1.00 0.00 C ATOM 526 CG ASP A 35 36.580 -16.933 -23.188 1.00 0.00 C ATOM 527 OD1 ASP A 35 37.454 -17.621 -23.757 1.00 0.00 O ATOM 528 OD2 ASP A 35 35.371 -17.009 -23.491 1.00 0.00 O ATOM 0 H ASP A 35 39.431 -15.473 -21.563 1.00 0.00 H new ATOM 0 HA ASP A 35 37.176 -16.267 -20.037 1.00 0.00 H new ATOM 0 HB2 ASP A 35 36.116 -15.425 -21.738 1.00 0.00 H new ATOM 0 HB3 ASP A 35 37.644 -15.182 -22.561 1.00 0.00 H new ATOM 533 N THR A 36 38.671 -18.781 -21.513 1.00 0.00 N ATOM 534 CA THR A 36 38.726 -20.249 -21.402 1.00 0.00 C ATOM 535 C THR A 36 38.982 -20.715 -19.952 1.00 0.00 C ATOM 536 O THR A 36 38.532 -21.784 -19.543 1.00 0.00 O ATOM 537 CB THR A 36 39.711 -20.888 -22.405 1.00 0.00 C ATOM 538 OG1 THR A 36 39.525 -20.302 -23.685 1.00 0.00 O ATOM 539 CG2 THR A 36 39.496 -22.400 -22.546 1.00 0.00 C ATOM 0 H THR A 36 39.391 -18.357 -22.098 1.00 0.00 H new ATOM 0 HA THR A 36 37.736 -20.612 -21.678 1.00 0.00 H new ATOM 0 HB THR A 36 40.717 -20.712 -22.024 1.00 0.00 H new ATOM 0 HG1 THR A 36 40.359 -19.875 -23.974 1.00 0.00 H new ATOM 0 HG21 THR A 36 40.212 -22.804 -23.262 1.00 0.00 H new ATOM 0 HG22 THR A 36 39.640 -22.880 -21.578 1.00 0.00 H new ATOM 0 HG23 THR A 36 38.483 -22.592 -22.899 1.00 0.00 H new ATOM 547 N MET A 37 39.678 -19.898 -19.157 1.00 0.00 N ATOM 548 CA MET A 37 39.844 -20.244 -17.735 1.00 0.00 C ATOM 549 C MET A 37 38.536 -20.088 -16.949 1.00 0.00 C ATOM 550 O MET A 37 37.998 -21.053 -16.404 1.00 0.00 O ATOM 551 CB MET A 37 40.943 -19.435 -17.023 1.00 0.00 C ATOM 552 CG MET A 37 42.272 -19.418 -17.779 1.00 0.00 C ATOM 553 SD MET A 37 42.798 -21.098 -18.142 1.00 0.00 S ATOM 554 CE MET A 37 42.834 -20.989 -19.936 1.00 0.00 C ATOM 0 H MET A 37 40.120 -19.028 -19.452 1.00 0.00 H new ATOM 0 HA MET A 37 40.149 -21.290 -17.747 1.00 0.00 H new ATOM 0 HB2 MET A 37 40.598 -18.410 -16.886 1.00 0.00 H new ATOM 0 HB3 MET A 37 41.104 -19.852 -16.029 1.00 0.00 H new ATOM 0 HG2 MET A 37 42.165 -18.854 -18.706 1.00 0.00 H new ATOM 0 HG3 MET A 37 43.032 -18.912 -17.183 1.00 0.00 H new ATOM 0 HE1 MET A 37 43.740 -21.465 -20.311 1.00 0.00 H new ATOM 0 HE2 MET A 37 41.961 -21.495 -20.349 1.00 0.00 H new ATOM 0 HE3 MET A 37 42.823 -19.941 -20.237 1.00 0.00 H new ATOM 564 N ASP A 38 38.033 -18.854 -16.867 1.00 0.00 N ATOM 565 CA ASP A 38 36.727 -18.636 -16.217 1.00 0.00 C ATOM 566 C ASP A 38 35.628 -19.558 -16.760 1.00 0.00 C ATOM 567 O ASP A 38 34.792 -20.081 -16.022 1.00 0.00 O ATOM 568 CB ASP A 38 36.268 -17.177 -16.355 1.00 0.00 C ATOM 569 CG ASP A 38 36.981 -16.256 -15.377 1.00 0.00 C ATOM 570 OD1 ASP A 38 38.125 -15.841 -15.660 1.00 0.00 O ATOM 571 OD2 ASP A 38 36.392 -15.937 -14.322 1.00 0.00 O ATOM 0 H ASP A 38 38.486 -18.014 -17.227 1.00 0.00 H new ATOM 0 HA ASP A 38 36.882 -18.875 -15.165 1.00 0.00 H new ATOM 0 HB2 ASP A 38 36.452 -16.835 -17.374 1.00 0.00 H new ATOM 0 HB3 ASP A 38 35.192 -17.119 -16.188 1.00 0.00 H new ATOM 576 N MET A 39 35.632 -19.741 -18.073 1.00 0.00 N ATOM 577 CA MET A 39 34.690 -20.666 -18.699 1.00 0.00 C ATOM 578 C MET A 39 34.818 -22.094 -18.198 1.00 0.00 C ATOM 579 O MET A 39 33.887 -22.668 -17.633 1.00 0.00 O ATOM 580 CB MET A 39 34.914 -20.714 -20.209 1.00 0.00 C ATOM 581 CG MET A 39 33.925 -21.663 -20.896 1.00 0.00 C ATOM 582 SD MET A 39 34.678 -23.293 -21.092 1.00 0.00 S ATOM 583 CE MET A 39 34.026 -23.770 -22.706 1.00 0.00 C ATOM 0 H MET A 39 36.265 -19.271 -18.719 1.00 0.00 H new ATOM 0 HA MET A 39 33.703 -20.284 -18.439 1.00 0.00 H new ATOM 0 HB2 MET A 39 34.807 -19.712 -20.625 1.00 0.00 H new ATOM 0 HB3 MET A 39 35.934 -21.038 -20.416 1.00 0.00 H new ATOM 0 HG2 MET A 39 33.013 -21.742 -20.305 1.00 0.00 H new ATOM 0 HG3 MET A 39 33.640 -21.264 -21.870 1.00 0.00 H new ATOM 0 HE1 MET A 39 33.264 -24.539 -22.578 1.00 0.00 H new ATOM 0 HE2 MET A 39 33.585 -22.900 -23.192 1.00 0.00 H new ATOM 0 HE3 MET A 39 34.835 -24.160 -23.324 1.00 0.00 H new ATOM 593 N LEU A 40 35.975 -22.689 -18.460 1.00 0.00 N ATOM 594 CA LEU A 40 36.153 -24.093 -18.109 1.00 0.00 C ATOM 595 C LEU A 40 36.014 -24.378 -16.603 1.00 0.00 C ATOM 596 O LEU A 40 35.757 -25.510 -16.199 1.00 0.00 O ATOM 597 CB LEU A 40 37.445 -24.669 -18.722 1.00 0.00 C ATOM 598 CG LEU A 40 37.277 -25.381 -20.091 1.00 0.00 C ATOM 599 CD1 LEU A 40 36.109 -26.367 -20.082 1.00 0.00 C ATOM 600 CD2 LEU A 40 37.230 -24.495 -21.316 1.00 0.00 C ATOM 0 H LEU A 40 36.779 -22.241 -18.899 1.00 0.00 H new ATOM 0 HA LEU A 40 35.320 -24.631 -18.562 1.00 0.00 H new ATOM 0 HB2 LEU A 40 38.163 -23.858 -18.840 1.00 0.00 H new ATOM 0 HB3 LEU A 40 37.877 -25.377 -18.015 1.00 0.00 H new ATOM 0 HG LEU A 40 38.215 -25.926 -20.197 1.00 0.00 H new ATOM 0 HD11 LEU A 40 36.027 -26.843 -21.059 1.00 0.00 H new ATOM 0 HD12 LEU A 40 36.281 -27.128 -19.321 1.00 0.00 H new ATOM 0 HD13 LEU A 40 35.185 -25.834 -19.859 1.00 0.00 H new ATOM 0 HD21 LEU A 40 37.110 -25.112 -22.207 1.00 0.00 H new ATOM 0 HD22 LEU A 40 36.389 -23.807 -21.235 1.00 0.00 H new ATOM 0 HD23 LEU A 40 38.157 -23.927 -21.390 1.00 0.00 H new ATOM 612 N THR A 41 36.154 -23.351 -15.765 1.00 0.00 N ATOM 613 CA THR A 41 35.824 -23.535 -14.345 1.00 0.00 C ATOM 614 C THR A 41 34.319 -23.332 -14.047 1.00 0.00 C ATOM 615 O THR A 41 33.785 -23.878 -13.081 1.00 0.00 O ATOM 616 CB THR A 41 36.688 -22.652 -13.425 1.00 0.00 C ATOM 617 OG1 THR A 41 38.060 -22.841 -13.745 1.00 0.00 O ATOM 618 CG2 THR A 41 36.485 -23.006 -11.948 1.00 0.00 C ATOM 0 H THR A 41 36.479 -22.420 -16.025 1.00 0.00 H new ATOM 0 HA THR A 41 36.059 -24.576 -14.123 1.00 0.00 H new ATOM 0 HB THR A 41 36.388 -21.616 -13.581 1.00 0.00 H new ATOM 0 HG1 THR A 41 38.273 -22.357 -14.570 1.00 0.00 H new ATOM 0 HG21 THR A 41 37.111 -22.362 -11.330 1.00 0.00 H new ATOM 0 HG22 THR A 41 35.439 -22.861 -11.680 1.00 0.00 H new ATOM 0 HG23 THR A 41 36.761 -24.047 -11.782 1.00 0.00 H new ATOM 626 N LYS A 42 33.626 -22.550 -14.875 1.00 0.00 N ATOM 627 CA LYS A 42 32.206 -22.294 -14.598 1.00 0.00 C ATOM 628 C LYS A 42 31.231 -23.238 -15.312 1.00 0.00 C ATOM 629 O LYS A 42 30.483 -23.973 -14.669 1.00 0.00 O ATOM 630 CB LYS A 42 31.822 -20.825 -14.834 1.00 0.00 C ATOM 631 CG LYS A 42 32.350 -19.907 -13.724 1.00 0.00 C ATOM 632 CD LYS A 42 31.766 -18.495 -13.860 1.00 0.00 C ATOM 633 CE LYS A 42 32.622 -17.614 -14.778 1.00 0.00 C ATOM 634 NZ LYS A 42 33.761 -17.060 -14.021 1.00 0.00 N ATOM 0 H LYS A 42 34.001 -22.098 -15.709 1.00 0.00 H new ATOM 0 HA LYS A 42 32.100 -22.513 -13.535 1.00 0.00 H new ATOM 0 HB2 LYS A 42 32.218 -20.497 -15.795 1.00 0.00 H new ATOM 0 HB3 LYS A 42 30.737 -20.739 -14.890 1.00 0.00 H new ATOM 0 HG2 LYS A 42 32.090 -20.321 -12.750 1.00 0.00 H new ATOM 0 HG3 LYS A 42 33.438 -19.861 -13.771 1.00 0.00 H new ATOM 0 HD2 LYS A 42 30.752 -18.557 -14.256 1.00 0.00 H new ATOM 0 HD3 LYS A 42 31.695 -18.034 -12.875 1.00 0.00 H new ATOM 0 HE2 LYS A 42 32.985 -18.199 -15.623 1.00 0.00 H new ATOM 0 HE3 LYS A 42 32.018 -16.805 -15.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 34.166 -16.256 -14.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 33.434 -16.739 -13.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 34.487 -17.795 -13.899 1.00 0.00 H new ATOM 648 N LEU A 43 31.189 -23.198 -16.643 1.00 0.00 N ATOM 649 CA LEU A 43 30.223 -24.059 -17.333 1.00 0.00 C ATOM 650 C LEU A 43 30.629 -25.548 -17.351 1.00 0.00 C ATOM 651 O LEU A 43 29.840 -26.417 -17.720 1.00 0.00 O ATOM 652 CB LEU A 43 29.829 -23.504 -18.723 1.00 0.00 C ATOM 653 CG LEU A 43 30.566 -24.176 -19.896 1.00 0.00 C ATOM 654 CD1 LEU A 43 30.120 -23.602 -21.237 1.00 0.00 C ATOM 655 CD2 LEU A 43 32.053 -23.955 -19.823 1.00 0.00 C ATOM 0 H LEU A 43 31.775 -22.615 -17.240 1.00 0.00 H new ATOM 0 HA LEU A 43 29.313 -24.033 -16.734 1.00 0.00 H new ATOM 0 HB2 LEU A 43 28.755 -23.629 -18.862 1.00 0.00 H new ATOM 0 HB3 LEU A 43 30.031 -22.433 -18.746 1.00 0.00 H new ATOM 0 HG LEU A 43 30.326 -25.237 -19.820 1.00 0.00 H new ATOM 0 HD11 LEU A 43 30.660 -24.099 -22.043 1.00 0.00 H new ATOM 0 HD12 LEU A 43 29.050 -23.763 -21.364 1.00 0.00 H new ATOM 0 HD13 LEU A 43 30.331 -22.533 -21.264 1.00 0.00 H new ATOM 0 HD21 LEU A 43 32.536 -24.445 -20.669 1.00 0.00 H new ATOM 0 HD22 LEU A 43 32.264 -22.886 -19.854 1.00 0.00 H new ATOM 0 HD23 LEU A 43 32.438 -24.374 -18.893 1.00 0.00 H new ATOM 667 N GLY A 44 31.859 -25.846 -16.929 1.00 0.00 N ATOM 668 CA GLY A 44 32.309 -27.249 -16.947 1.00 0.00 C ATOM 669 C GLY A 44 33.018 -27.659 -15.647 1.00 0.00 C ATOM 670 O GLY A 44 33.101 -28.845 -15.326 1.00 0.00 O ATOM 0 H GLY A 44 32.541 -25.171 -16.583 1.00 0.00 H new ATOM 0 HA2 GLY A 44 31.450 -27.900 -17.109 1.00 0.00 H new ATOM 0 HA3 GLY A 44 32.986 -27.399 -17.788 1.00 0.00 H new ATOM 674 N GLN A 45 33.537 -26.683 -14.901 1.00 0.00 N ATOM 675 CA GLN A 45 34.284 -27.006 -13.667 1.00 0.00 C ATOM 676 C GLN A 45 35.715 -27.465 -13.965 1.00 0.00 C ATOM 677 O GLN A 45 36.682 -26.763 -13.665 1.00 0.00 O ATOM 678 CB GLN A 45 33.555 -27.929 -12.673 1.00 0.00 C ATOM 679 CG GLN A 45 32.211 -27.326 -12.245 1.00 0.00 C ATOM 680 CD GLN A 45 31.642 -28.052 -11.032 1.00 0.00 C ATOM 681 OE1 GLN A 45 32.067 -27.847 -9.896 1.00 0.00 O ATOM 682 NE2 GLN A 45 30.662 -28.905 -11.257 1.00 0.00 N ATOM 0 H GLN A 45 33.462 -25.688 -15.113 1.00 0.00 H new ATOM 0 HA GLN A 45 34.346 -26.058 -13.132 1.00 0.00 H new ATOM 0 HB2 GLN A 45 33.390 -28.904 -13.131 1.00 0.00 H new ATOM 0 HB3 GLN A 45 34.181 -28.090 -11.795 1.00 0.00 H new ATOM 0 HG2 GLN A 45 32.342 -26.269 -12.011 1.00 0.00 H new ATOM 0 HG3 GLN A 45 31.503 -27.385 -13.072 1.00 0.00 H new ATOM 0 HE21 GLN A 45 30.327 -29.058 -12.208 1.00 0.00 H new ATOM 0 HE22 GLN A 45 30.239 -29.412 -10.480 1.00 0.00 H new ATOM 691 N THR A 46 35.856 -28.629 -14.586 1.00 0.00 N ATOM 692 CA THR A 46 37.187 -29.123 -14.914 1.00 0.00 C ATOM 693 C THR A 46 37.088 -30.305 -15.931 1.00 0.00 C ATOM 694 O THR A 46 36.586 -31.368 -15.557 1.00 0.00 O ATOM 695 CB THR A 46 37.958 -29.775 -13.768 1.00 0.00 C ATOM 696 OG1 THR A 46 37.112 -30.677 -13.066 1.00 0.00 O ATOM 697 CG2 THR A 46 38.533 -28.752 -12.784 1.00 0.00 C ATOM 0 H THR A 46 35.086 -29.236 -14.867 1.00 0.00 H new ATOM 0 HA THR A 46 37.691 -28.221 -15.261 1.00 0.00 H new ATOM 0 HB THR A 46 38.797 -30.308 -14.215 1.00 0.00 H new ATOM 0 HG1 THR A 46 36.627 -31.237 -13.707 1.00 0.00 H new ATOM 0 HG21 THR A 46 39.070 -29.272 -11.991 1.00 0.00 H new ATOM 0 HG22 THR A 46 39.217 -28.086 -13.310 1.00 0.00 H new ATOM 0 HG23 THR A 46 37.721 -28.169 -12.350 1.00 0.00 H new ATOM 705 N TYR A 47 37.515 -30.192 -17.199 1.00 0.00 N ATOM 706 CA TYR A 47 37.625 -31.450 -17.979 1.00 0.00 C ATOM 707 C TYR A 47 38.880 -32.257 -17.591 1.00 0.00 C ATOM 708 O TYR A 47 38.800 -33.211 -16.813 1.00 0.00 O ATOM 709 CB TYR A 47 37.500 -31.198 -19.490 1.00 0.00 C ATOM 710 CG TYR A 47 36.140 -30.633 -19.919 1.00 0.00 C ATOM 711 CD1 TYR A 47 34.983 -31.085 -19.367 1.00 0.00 C ATOM 712 CD2 TYR A 47 36.088 -29.730 -20.937 1.00 0.00 C ATOM 713 CE1 TYR A 47 33.792 -30.561 -19.762 1.00 0.00 C ATOM 714 CE2 TYR A 47 34.893 -29.242 -21.357 1.00 0.00 C ATOM 715 CZ TYR A 47 33.756 -29.610 -20.726 1.00 0.00 C ATOM 716 OH TYR A 47 32.591 -28.942 -20.989 1.00 0.00 O ATOM 0 H TYR A 47 37.771 -29.329 -17.679 1.00 0.00 H new ATOM 0 HA TYR A 47 36.776 -32.079 -17.713 1.00 0.00 H new ATOM 0 HB2 TYR A 47 38.283 -30.505 -19.798 1.00 0.00 H new ATOM 0 HB3 TYR A 47 37.676 -32.134 -20.020 1.00 0.00 H new ATOM 0 HD1 TYR A 47 35.010 -31.860 -18.615 1.00 0.00 H new ATOM 0 HD2 TYR A 47 37.001 -29.401 -21.412 1.00 0.00 H new ATOM 0 HE1 TYR A 47 32.874 -30.903 -19.307 1.00 0.00 H new ATOM 0 HE2 TYR A 47 34.851 -28.561 -22.194 1.00 0.00 H new ATOM 0 HH TYR A 47 32.741 -28.293 -21.708 1.00 0.00 H new ATOM 726 N THR A 48 40.042 -31.901 -18.132 1.00 0.00 N ATOM 727 CA THR A 48 41.255 -32.650 -17.772 1.00 0.00 C ATOM 728 C THR A 48 42.497 -31.749 -17.843 1.00 0.00 C ATOM 729 O THR A 48 42.551 -30.797 -18.622 1.00 0.00 O ATOM 730 CB THR A 48 41.449 -33.931 -18.613 1.00 0.00 C ATOM 731 OG1 THR A 48 40.181 -34.508 -18.901 1.00 0.00 O ATOM 732 CG2 THR A 48 42.292 -34.970 -17.868 1.00 0.00 C ATOM 0 H THR A 48 40.175 -31.135 -18.792 1.00 0.00 H new ATOM 0 HA THR A 48 41.120 -32.979 -16.742 1.00 0.00 H new ATOM 0 HB THR A 48 41.966 -33.649 -19.530 1.00 0.00 H new ATOM 0 HG1 THR A 48 39.725 -33.972 -19.583 1.00 0.00 H new ATOM 0 HG21 THR A 48 42.408 -35.858 -18.490 1.00 0.00 H new ATOM 0 HG22 THR A 48 43.274 -34.551 -17.647 1.00 0.00 H new ATOM 0 HG23 THR A 48 41.795 -35.241 -16.937 1.00 0.00 H new ATOM 740 N LYS A 49 43.520 -32.061 -17.050 1.00 0.00 N ATOM 741 CA LYS A 49 44.684 -31.156 -17.001 1.00 0.00 C ATOM 742 C LYS A 49 45.805 -31.461 -18.013 1.00 0.00 C ATOM 743 O LYS A 49 46.835 -30.789 -18.021 1.00 0.00 O ATOM 744 CB LYS A 49 45.253 -31.036 -15.580 1.00 0.00 C ATOM 745 CG LYS A 49 44.314 -30.230 -14.673 1.00 0.00 C ATOM 746 CD LYS A 49 45.024 -29.814 -13.384 1.00 0.00 C ATOM 747 CE LYS A 49 44.137 -28.879 -12.562 1.00 0.00 C ATOM 748 NZ LYS A 49 44.860 -28.425 -11.361 1.00 0.00 N ATOM 0 H LYS A 49 43.577 -32.889 -16.457 1.00 0.00 H new ATOM 0 HA LYS A 49 44.278 -30.193 -17.310 1.00 0.00 H new ATOM 0 HB2 LYS A 49 45.403 -32.031 -15.160 1.00 0.00 H new ATOM 0 HB3 LYS A 49 46.230 -30.554 -15.616 1.00 0.00 H new ATOM 0 HG2 LYS A 49 43.963 -29.344 -15.202 1.00 0.00 H new ATOM 0 HG3 LYS A 49 43.434 -30.827 -14.432 1.00 0.00 H new ATOM 0 HD2 LYS A 49 45.273 -30.698 -12.797 1.00 0.00 H new ATOM 0 HD3 LYS A 49 45.964 -29.316 -13.624 1.00 0.00 H new ATOM 0 HE2 LYS A 49 43.842 -28.020 -13.165 1.00 0.00 H new ATOM 0 HE3 LYS A 49 43.221 -29.394 -12.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 44.250 -27.790 -10.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 45.120 -29.248 -10.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 45.721 -27.916 -11.646 1.00 0.00 H new ATOM 762 N ARG A 50 45.665 -32.501 -18.829 1.00 0.00 N ATOM 763 CA ARG A 50 46.663 -32.695 -19.899 1.00 0.00 C ATOM 764 C ARG A 50 46.080 -32.359 -21.278 1.00 0.00 C ATOM 765 O ARG A 50 46.445 -31.369 -21.918 1.00 0.00 O ATOM 766 CB ARG A 50 47.334 -34.083 -19.924 1.00 0.00 C ATOM 767 CG ARG A 50 47.575 -34.675 -18.524 1.00 0.00 C ATOM 768 CD ARG A 50 46.420 -35.582 -18.065 1.00 0.00 C ATOM 769 NE ARG A 50 46.098 -36.608 -19.077 1.00 0.00 N ATOM 770 CZ ARG A 50 46.922 -37.634 -19.271 1.00 0.00 C ATOM 771 NH1 ARG A 50 47.805 -37.981 -18.352 1.00 0.00 N ATOM 772 NH2 ARG A 50 46.843 -38.327 -20.388 1.00 0.00 N ATOM 0 H ARG A 50 44.917 -33.193 -18.786 1.00 0.00 H new ATOM 0 HA ARG A 50 47.458 -31.991 -19.656 1.00 0.00 H new ATOM 0 HB2 ARG A 50 46.710 -34.769 -20.497 1.00 0.00 H new ATOM 0 HB3 ARG A 50 48.288 -34.007 -20.447 1.00 0.00 H new ATOM 0 HG2 ARG A 50 48.503 -35.247 -18.529 1.00 0.00 H new ATOM 0 HG3 ARG A 50 47.704 -33.864 -17.807 1.00 0.00 H new ATOM 0 HD2 ARG A 50 46.689 -36.068 -17.127 1.00 0.00 H new ATOM 0 HD3 ARG A 50 45.536 -34.975 -17.868 1.00 0.00 H new ATOM 0 HE ARG A 50 45.243 -36.530 -19.628 1.00 0.00 H new ATOM 0 HH11 ARG A 50 47.862 -37.459 -17.477 1.00 0.00 H new ATOM 0 HH12 ARG A 50 48.429 -38.771 -18.517 1.00 0.00 H new ATOM 0 HH21 ARG A 50 46.154 -38.076 -21.097 1.00 0.00 H new ATOM 0 HH22 ARG A 50 47.471 -39.115 -20.545 1.00 0.00 H new ATOM 786 N GLU A 51 45.136 -33.178 -21.725 1.00 0.00 N ATOM 787 CA GLU A 51 44.587 -32.997 -23.073 1.00 0.00 C ATOM 788 C GLU A 51 43.548 -31.863 -23.147 1.00 0.00 C ATOM 789 O GLU A 51 43.525 -31.062 -24.088 1.00 0.00 O ATOM 790 CB GLU A 51 44.061 -34.325 -23.642 1.00 0.00 C ATOM 791 CG GLU A 51 45.158 -35.403 -23.683 1.00 0.00 C ATOM 792 CD GLU A 51 45.095 -36.344 -22.480 1.00 0.00 C ATOM 793 OE1 GLU A 51 44.674 -35.912 -21.384 1.00 0.00 O ATOM 794 OE2 GLU A 51 45.490 -37.520 -22.624 1.00 0.00 O ATOM 0 H GLU A 51 44.740 -33.955 -21.195 1.00 0.00 H new ATOM 0 HA GLU A 51 45.409 -32.676 -23.714 1.00 0.00 H new ATOM 0 HB2 GLU A 51 43.228 -34.677 -23.033 1.00 0.00 H new ATOM 0 HB3 GLU A 51 43.674 -34.162 -24.648 1.00 0.00 H new ATOM 0 HG2 GLU A 51 45.059 -35.983 -24.600 1.00 0.00 H new ATOM 0 HG3 GLU A 51 46.136 -34.922 -23.714 1.00 0.00 H new ATOM 801 N THR A 52 42.680 -31.762 -22.147 1.00 0.00 N ATOM 802 CA THR A 52 41.810 -30.585 -22.109 1.00 0.00 C ATOM 803 C THR A 52 42.596 -29.310 -21.743 1.00 0.00 C ATOM 804 O THR A 52 42.176 -28.189 -22.025 1.00 0.00 O ATOM 805 CB THR A 52 40.543 -30.758 -21.263 1.00 0.00 C ATOM 806 OG1 THR A 52 40.412 -32.112 -20.858 1.00 0.00 O ATOM 807 CG2 THR A 52 39.298 -30.397 -22.076 1.00 0.00 C ATOM 0 H THR A 52 42.559 -32.436 -21.391 1.00 0.00 H new ATOM 0 HA THR A 52 41.440 -30.465 -23.127 1.00 0.00 H new ATOM 0 HB THR A 52 40.629 -30.101 -20.397 1.00 0.00 H new ATOM 0 HG1 THR A 52 40.196 -32.667 -21.636 1.00 0.00 H new ATOM 0 HG21 THR A 52 38.410 -30.526 -21.458 1.00 0.00 H new ATOM 0 HG22 THR A 52 39.365 -29.359 -22.402 1.00 0.00 H new ATOM 0 HG23 THR A 52 39.231 -31.048 -22.948 1.00 0.00 H new ATOM 815 N GLU A 53 43.736 -29.474 -21.076 1.00 0.00 N ATOM 816 CA GLU A 53 44.699 -28.358 -21.020 1.00 0.00 C ATOM 817 C GLU A 53 45.118 -27.932 -22.445 1.00 0.00 C ATOM 818 O GLU A 53 45.292 -26.750 -22.744 1.00 0.00 O ATOM 819 CB GLU A 53 45.951 -28.661 -20.187 1.00 0.00 C ATOM 820 CG GLU A 53 45.968 -27.856 -18.878 1.00 0.00 C ATOM 821 CD GLU A 53 47.349 -27.850 -18.242 1.00 0.00 C ATOM 822 OE1 GLU A 53 48.331 -27.495 -18.931 1.00 0.00 O ATOM 823 OE2 GLU A 53 47.458 -28.182 -17.043 1.00 0.00 O ATOM 0 H GLU A 53 44.015 -30.324 -20.585 1.00 0.00 H new ATOM 0 HA GLU A 53 44.177 -27.543 -20.519 1.00 0.00 H new ATOM 0 HB2 GLU A 53 45.989 -29.726 -19.960 1.00 0.00 H new ATOM 0 HB3 GLU A 53 46.842 -28.428 -20.770 1.00 0.00 H new ATOM 0 HG2 GLU A 53 45.654 -26.831 -19.076 1.00 0.00 H new ATOM 0 HG3 GLU A 53 45.247 -28.281 -18.180 1.00 0.00 H new ATOM 830 N ALA A 54 45.302 -28.923 -23.323 1.00 0.00 N ATOM 831 CA ALA A 54 45.437 -28.622 -24.765 1.00 0.00 C ATOM 832 C ALA A 54 44.326 -27.699 -25.269 1.00 0.00 C ATOM 833 O ALA A 54 44.579 -26.698 -25.942 1.00 0.00 O ATOM 834 CB ALA A 54 45.456 -29.885 -25.643 1.00 0.00 C ATOM 0 H ALA A 54 45.361 -29.912 -23.079 1.00 0.00 H new ATOM 0 HA ALA A 54 46.400 -28.118 -24.854 1.00 0.00 H new ATOM 0 HB1 ALA A 54 45.557 -29.599 -26.690 1.00 0.00 H new ATOM 0 HB2 ALA A 54 46.298 -30.515 -25.356 1.00 0.00 H new ATOM 0 HB3 ALA A 54 44.526 -30.437 -25.506 1.00 0.00 H new ATOM 840 N ILE A 55 43.081 -28.047 -24.933 1.00 0.00 N ATOM 841 CA ILE A 55 41.965 -27.105 -25.217 1.00 0.00 C ATOM 842 C ILE A 55 42.324 -25.676 -24.770 1.00 0.00 C ATOM 843 O ILE A 55 42.326 -24.710 -25.538 1.00 0.00 O ATOM 844 CB ILE A 55 40.602 -27.429 -24.529 1.00 0.00 C ATOM 845 CG1 ILE A 55 39.951 -28.668 -25.050 1.00 0.00 C ATOM 846 CG2 ILE A 55 39.648 -26.280 -24.738 1.00 0.00 C ATOM 847 CD1 ILE A 55 38.531 -28.904 -24.523 1.00 0.00 C ATOM 0 H ILE A 55 42.815 -28.925 -24.486 1.00 0.00 H new ATOM 0 HA ILE A 55 41.836 -27.207 -26.295 1.00 0.00 H new ATOM 0 HB ILE A 55 40.824 -27.588 -23.474 1.00 0.00 H new ATOM 0 HG12 ILE A 55 39.918 -28.617 -26.138 1.00 0.00 H new ATOM 0 HG13 ILE A 55 40.570 -29.527 -24.790 1.00 0.00 H new ATOM 0 HG21 ILE A 55 38.696 -26.506 -24.258 1.00 0.00 H new ATOM 0 HG22 ILE A 55 40.069 -25.374 -24.302 1.00 0.00 H new ATOM 0 HG23 ILE A 55 39.489 -26.129 -25.806 1.00 0.00 H new ATOM 0 HD11 ILE A 55 38.132 -29.824 -24.951 1.00 0.00 H new ATOM 0 HD12 ILE A 55 38.556 -28.990 -23.437 1.00 0.00 H new ATOM 0 HD13 ILE A 55 37.894 -28.066 -24.806 1.00 0.00 H new ATOM 859 N MET A 56 42.616 -25.587 -23.484 1.00 0.00 N ATOM 860 CA MET A 56 42.841 -24.289 -22.845 1.00 0.00 C ATOM 861 C MET A 56 43.989 -23.465 -23.433 1.00 0.00 C ATOM 862 O MET A 56 43.923 -22.238 -23.518 1.00 0.00 O ATOM 863 CB MET A 56 43.010 -24.506 -21.335 1.00 0.00 C ATOM 864 CG MET A 56 41.720 -25.072 -20.725 1.00 0.00 C ATOM 865 SD MET A 56 42.103 -26.193 -19.362 1.00 0.00 S ATOM 866 CE MET A 56 40.631 -27.250 -19.398 1.00 0.00 C ATOM 0 H MET A 56 42.704 -26.389 -22.860 1.00 0.00 H new ATOM 0 HA MET A 56 41.961 -23.679 -23.048 1.00 0.00 H new ATOM 0 HB2 MET A 56 43.837 -25.191 -21.151 1.00 0.00 H new ATOM 0 HB3 MET A 56 43.264 -23.562 -20.852 1.00 0.00 H new ATOM 0 HG2 MET A 56 41.092 -24.256 -20.367 1.00 0.00 H new ATOM 0 HG3 MET A 56 41.151 -25.601 -21.490 1.00 0.00 H new ATOM 0 HE1 MET A 56 40.879 -28.233 -18.998 1.00 0.00 H new ATOM 0 HE2 MET A 56 39.845 -26.799 -18.792 1.00 0.00 H new ATOM 0 HE3 MET A 56 40.283 -27.354 -20.426 1.00 0.00 H new ATOM 876 N LYS A 57 45.041 -24.146 -23.860 1.00 0.00 N ATOM 877 CA LYS A 57 46.176 -23.421 -24.446 1.00 0.00 C ATOM 878 C LYS A 57 45.959 -23.016 -25.915 1.00 0.00 C ATOM 879 O LYS A 57 46.385 -21.941 -26.343 1.00 0.00 O ATOM 880 CB LYS A 57 47.501 -24.171 -24.260 1.00 0.00 C ATOM 881 CG LYS A 57 48.007 -24.043 -22.817 1.00 0.00 C ATOM 882 CD LYS A 57 49.054 -25.113 -22.492 1.00 0.00 C ATOM 883 CE LYS A 57 48.387 -26.460 -22.199 1.00 0.00 C ATOM 884 NZ LYS A 57 49.269 -27.291 -21.360 1.00 0.00 N ATOM 0 H LYS A 57 45.141 -25.160 -23.819 1.00 0.00 H new ATOM 0 HA LYS A 57 46.241 -22.489 -23.884 1.00 0.00 H new ATOM 0 HB2 LYS A 57 47.366 -25.223 -24.510 1.00 0.00 H new ATOM 0 HB3 LYS A 57 48.248 -23.774 -24.948 1.00 0.00 H new ATOM 0 HG2 LYS A 57 48.439 -23.053 -22.668 1.00 0.00 H new ATOM 0 HG3 LYS A 57 47.168 -24.132 -22.127 1.00 0.00 H new ATOM 0 HD2 LYS A 57 49.744 -25.219 -23.330 1.00 0.00 H new ATOM 0 HD3 LYS A 57 49.644 -24.800 -21.631 1.00 0.00 H new ATOM 0 HE2 LYS A 57 47.435 -26.301 -21.693 1.00 0.00 H new ATOM 0 HE3 LYS A 57 48.168 -26.977 -23.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 49.401 -28.220 -21.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 50.192 -26.822 -21.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 48.837 -27.418 -20.422 1.00 0.00 H new ATOM 898 N GLU A 58 45.293 -23.861 -26.700 1.00 0.00 N ATOM 899 CA GLU A 58 45.052 -23.500 -28.112 1.00 0.00 C ATOM 900 C GLU A 58 43.923 -22.462 -28.324 1.00 0.00 C ATOM 901 O GLU A 58 43.877 -21.777 -29.346 1.00 0.00 O ATOM 902 CB GLU A 58 44.877 -24.739 -29.010 1.00 0.00 C ATOM 903 CG GLU A 58 43.455 -25.311 -28.939 1.00 0.00 C ATOM 904 CD GLU A 58 43.334 -26.623 -29.705 1.00 0.00 C ATOM 905 OE1 GLU A 58 44.057 -27.585 -29.370 1.00 0.00 O ATOM 906 OE2 GLU A 58 42.500 -26.703 -30.636 1.00 0.00 O ATOM 0 H GLU A 58 44.921 -24.765 -26.408 1.00 0.00 H new ATOM 0 HA GLU A 58 45.963 -22.993 -28.428 1.00 0.00 H new ATOM 0 HB2 GLU A 58 45.109 -24.474 -30.041 1.00 0.00 H new ATOM 0 HB3 GLU A 58 45.591 -25.506 -28.710 1.00 0.00 H new ATOM 0 HG2 GLU A 58 43.180 -25.472 -27.897 1.00 0.00 H new ATOM 0 HG3 GLU A 58 42.751 -24.586 -29.347 1.00 0.00 H new ATOM 913 N ALA A 59 43.011 -22.346 -27.357 1.00 0.00 N ATOM 914 CA ALA A 59 41.921 -21.365 -27.494 1.00 0.00 C ATOM 915 C ALA A 59 42.387 -19.923 -27.745 1.00 0.00 C ATOM 916 O ALA A 59 41.777 -19.189 -28.514 1.00 0.00 O ATOM 917 CB ALA A 59 40.968 -21.417 -26.300 1.00 0.00 C ATOM 0 H ALA A 59 42.998 -22.895 -26.498 1.00 0.00 H new ATOM 0 HA ALA A 59 41.388 -21.668 -28.395 1.00 0.00 H new ATOM 0 HB1 ALA A 59 40.176 -20.680 -26.434 1.00 0.00 H new ATOM 0 HB2 ALA A 59 40.529 -22.412 -26.228 1.00 0.00 H new ATOM 0 HB3 ALA A 59 41.518 -21.196 -25.385 1.00 0.00 H new ATOM 923 N ARG A 60 43.448 -19.500 -27.063 1.00 0.00 N ATOM 924 CA ARG A 60 44.047 -18.166 -27.403 1.00 0.00 C ATOM 925 C ARG A 60 44.155 -17.877 -28.921 1.00 0.00 C ATOM 926 O ARG A 60 43.520 -16.947 -29.418 1.00 0.00 O ATOM 927 CB ARG A 60 45.399 -17.978 -26.698 1.00 0.00 C ATOM 928 CG ARG A 60 45.942 -16.544 -26.839 1.00 0.00 C ATOM 929 CD ARG A 60 47.000 -16.432 -27.941 1.00 0.00 C ATOM 930 NE ARG A 60 48.296 -16.927 -27.455 1.00 0.00 N ATOM 931 CZ ARG A 60 49.352 -16.857 -28.256 1.00 0.00 C ATOM 932 NH1 ARG A 60 49.230 -17.091 -29.549 1.00 0.00 N ATOM 933 NH2 ARG A 60 50.535 -16.571 -27.754 1.00 0.00 N ATOM 0 H ARG A 60 43.907 -20.011 -26.309 1.00 0.00 H new ATOM 0 HA ARG A 60 43.342 -17.425 -27.026 1.00 0.00 H new ATOM 0 HB2 ARG A 60 45.291 -18.220 -25.641 1.00 0.00 H new ATOM 0 HB3 ARG A 60 46.122 -18.680 -27.113 1.00 0.00 H new ATOM 0 HG2 ARG A 60 45.118 -15.865 -27.058 1.00 0.00 H new ATOM 0 HG3 ARG A 60 46.373 -16.226 -25.890 1.00 0.00 H new ATOM 0 HD2 ARG A 60 46.688 -17.005 -28.814 1.00 0.00 H new ATOM 0 HD3 ARG A 60 47.095 -15.394 -28.259 1.00 0.00 H new ATOM 0 HE ARG A 60 48.382 -17.318 -26.517 1.00 0.00 H new ATOM 0 HH11 ARG A 60 48.318 -17.328 -29.941 1.00 0.00 H new ATOM 0 HH12 ARG A 60 50.047 -17.035 -30.157 1.00 0.00 H new ATOM 0 HH21 ARG A 60 50.637 -16.404 -26.753 1.00 0.00 H new ATOM 0 HH22 ARG A 60 51.349 -16.516 -28.366 1.00 0.00 H new ATOM 1031 N LYS A 67 44.489 -11.377 -29.546 1.00 0.00 N ATOM 1032 CA LYS A 67 44.494 -12.700 -28.899 1.00 0.00 C ATOM 1033 C LYS A 67 43.159 -13.122 -28.280 1.00 0.00 C ATOM 1034 O LYS A 67 43.014 -13.214 -27.061 1.00 0.00 O ATOM 1035 CB LYS A 67 45.639 -12.827 -27.876 1.00 0.00 C ATOM 1036 CG LYS A 67 45.736 -11.605 -26.953 1.00 0.00 C ATOM 1037 CD LYS A 67 46.806 -11.825 -25.877 1.00 0.00 C ATOM 1038 CE LYS A 67 47.240 -10.500 -25.245 1.00 0.00 C ATOM 1039 NZ LYS A 67 46.180 -9.985 -24.357 1.00 0.00 N ATOM 0 HA LYS A 67 44.666 -13.401 -29.716 1.00 0.00 H new ATOM 0 HB2 LYS A 67 45.487 -13.723 -27.274 1.00 0.00 H new ATOM 0 HB3 LYS A 67 46.583 -12.955 -28.405 1.00 0.00 H new ATOM 0 HG2 LYS A 67 45.979 -10.718 -27.539 1.00 0.00 H new ATOM 0 HG3 LYS A 67 44.771 -11.421 -26.481 1.00 0.00 H new ATOM 0 HD2 LYS A 67 46.417 -12.489 -25.105 1.00 0.00 H new ATOM 0 HD3 LYS A 67 47.671 -12.321 -26.317 1.00 0.00 H new ATOM 0 HE2 LYS A 67 48.160 -10.643 -24.679 1.00 0.00 H new ATOM 0 HE3 LYS A 67 47.456 -9.771 -26.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 46.487 -9.086 -23.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 45.311 -9.830 -24.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 45.993 -10.676 -23.602 1.00 0.00 H new ATOM 1053 N ASN A 68 42.178 -13.416 -29.126 1.00 0.00 N ATOM 1054 CA ASN A 68 40.905 -13.907 -28.607 1.00 0.00 C ATOM 1055 C ASN A 68 40.148 -14.626 -29.703 1.00 0.00 C ATOM 1056 O ASN A 68 40.156 -14.224 -30.867 1.00 0.00 O ATOM 1057 CB ASN A 68 39.958 -12.876 -27.962 1.00 0.00 C ATOM 1058 CG ASN A 68 40.469 -11.439 -27.961 1.00 0.00 C ATOM 1059 OD1 ASN A 68 40.630 -10.803 -26.920 1.00 0.00 O ATOM 1060 ND2 ASN A 68 40.709 -10.904 -29.139 1.00 0.00 N ATOM 0 H ASN A 68 42.233 -13.328 -30.141 1.00 0.00 H new ATOM 0 HA ASN A 68 41.205 -14.563 -27.789 1.00 0.00 H new ATOM 0 HB2 ASN A 68 39.003 -12.905 -28.487 1.00 0.00 H new ATOM 0 HB3 ASN A 68 39.765 -13.177 -26.932 1.00 0.00 H new ATOM 0 HD21 ASN A 68 41.037 -9.940 -29.204 1.00 0.00 H new ATOM 0 HD22 ASN A 68 40.567 -11.453 -29.987 1.00 0.00 H new ATOM 1067 N ILE A 69 39.460 -15.693 -29.334 1.00 0.00 N ATOM 1068 CA ILE A 69 38.691 -16.394 -30.360 1.00 0.00 C ATOM 1069 C ILE A 69 37.227 -16.000 -30.380 1.00 0.00 C ATOM 1070 O ILE A 69 36.441 -16.231 -29.463 1.00 0.00 O ATOM 1071 CB ILE A 69 38.837 -17.903 -30.401 1.00 0.00 C ATOM 1072 CG1 ILE A 69 38.542 -18.531 -29.031 1.00 0.00 C ATOM 1073 CG2 ILE A 69 40.247 -18.255 -30.881 1.00 0.00 C ATOM 1074 CD1 ILE A 69 38.592 -20.054 -29.082 1.00 0.00 C ATOM 0 H ILE A 69 39.413 -16.079 -28.391 1.00 0.00 H new ATOM 0 HA ILE A 69 39.165 -16.041 -31.275 1.00 0.00 H new ATOM 0 HB ILE A 69 38.107 -18.313 -31.099 1.00 0.00 H new ATOM 0 HG12 ILE A 69 39.266 -18.168 -28.302 1.00 0.00 H new ATOM 0 HG13 ILE A 69 37.558 -18.211 -28.689 1.00 0.00 H new ATOM 0 HG21 ILE A 69 40.360 -19.339 -30.913 1.00 0.00 H new ATOM 0 HG22 ILE A 69 40.405 -17.844 -31.878 1.00 0.00 H new ATOM 0 HG23 ILE A 69 40.981 -17.834 -30.194 1.00 0.00 H new ATOM 0 HD11 ILE A 69 38.378 -20.458 -28.093 1.00 0.00 H new ATOM 0 HD12 ILE A 69 37.850 -20.419 -29.792 1.00 0.00 H new ATOM 0 HD13 ILE A 69 39.585 -20.375 -29.398 1.00 0.00 H new ATOM 1086 N GLY A 70 36.891 -15.412 -31.496 1.00 0.00 N ATOM 1087 CA GLY A 70 35.533 -14.901 -31.670 1.00 0.00 C ATOM 1088 C GLY A 70 34.525 -15.973 -32.108 1.00 0.00 C ATOM 1089 O GLY A 70 34.644 -17.145 -31.753 1.00 0.00 O ATOM 0 H GLY A 70 37.514 -15.270 -32.291 1.00 0.00 H new ATOM 0 HA2 GLY A 70 35.197 -14.460 -30.732 1.00 0.00 H new ATOM 0 HA3 GLY A 70 35.546 -14.102 -32.411 1.00 0.00 H new ATOM 1093 N PRO A 71 33.484 -15.524 -32.827 1.00 0.00 N ATOM 1094 CA PRO A 71 32.289 -16.356 -33.082 1.00 0.00 C ATOM 1095 C PRO A 71 32.432 -17.887 -32.984 1.00 0.00 C ATOM 1096 O PRO A 71 31.741 -18.526 -32.192 1.00 0.00 O ATOM 1097 CB PRO A 71 31.798 -15.935 -34.474 1.00 0.00 C ATOM 1098 CG PRO A 71 32.640 -14.739 -34.923 1.00 0.00 C ATOM 1099 CD PRO A 71 33.722 -14.523 -33.869 1.00 0.00 C ATOM 0 HA PRO A 71 31.586 -16.167 -32.271 1.00 0.00 H new ATOM 0 HB2 PRO A 71 31.898 -16.759 -35.180 1.00 0.00 H new ATOM 0 HB3 PRO A 71 30.742 -15.668 -34.442 1.00 0.00 H new ATOM 0 HG2 PRO A 71 33.087 -14.929 -35.899 1.00 0.00 H new ATOM 0 HG3 PRO A 71 32.019 -13.849 -35.024 1.00 0.00 H new ATOM 0 HD2 PRO A 71 34.716 -14.640 -34.302 1.00 0.00 H new ATOM 0 HD3 PRO A 71 33.670 -13.514 -33.459 1.00 0.00 H new ATOM 1107 N GLU A 72 33.271 -18.496 -33.814 1.00 0.00 N ATOM 1108 CA GLU A 72 33.185 -19.966 -33.939 1.00 0.00 C ATOM 1109 C GLU A 72 34.252 -20.861 -33.265 1.00 0.00 C ATOM 1110 O GLU A 72 33.889 -21.902 -32.723 1.00 0.00 O ATOM 1111 CB GLU A 72 32.903 -20.406 -35.381 1.00 0.00 C ATOM 1112 CG GLU A 72 31.532 -21.088 -35.531 1.00 0.00 C ATOM 1113 CD GLU A 72 31.467 -22.408 -34.767 1.00 0.00 C ATOM 1114 OE1 GLU A 72 32.343 -23.275 -34.980 1.00 0.00 O ATOM 1115 OE2 GLU A 72 30.538 -22.583 -33.949 1.00 0.00 O ATOM 0 H GLU A 72 33.982 -18.038 -34.384 1.00 0.00 H new ATOM 0 HA GLU A 72 32.325 -20.163 -33.299 1.00 0.00 H new ATOM 0 HB2 GLU A 72 32.947 -19.537 -36.038 1.00 0.00 H new ATOM 0 HB3 GLU A 72 33.684 -21.092 -35.708 1.00 0.00 H new ATOM 0 HG2 GLU A 72 30.752 -20.419 -35.167 1.00 0.00 H new ATOM 0 HG3 GLU A 72 31.330 -21.269 -36.587 1.00 0.00 H new ATOM 1122 N GLU A 73 35.553 -20.536 -33.317 1.00 0.00 N ATOM 1123 CA GLU A 73 36.566 -21.487 -32.793 1.00 0.00 C ATOM 1124 C GLU A 73 36.218 -22.082 -31.422 1.00 0.00 C ATOM 1125 O GLU A 73 36.446 -23.260 -31.155 1.00 0.00 O ATOM 1126 CB GLU A 73 37.997 -20.909 -32.815 1.00 0.00 C ATOM 1127 CG GLU A 73 39.019 -21.798 -32.071 1.00 0.00 C ATOM 1128 CD GLU A 73 39.400 -23.032 -32.883 1.00 0.00 C ATOM 1129 OE1 GLU A 73 39.927 -22.875 -34.005 1.00 0.00 O ATOM 1130 OE2 GLU A 73 39.186 -24.165 -32.396 1.00 0.00 O ATOM 0 H GLU A 73 35.925 -19.665 -33.697 1.00 0.00 H new ATOM 0 HA GLU A 73 36.542 -22.322 -33.494 1.00 0.00 H new ATOM 0 HB2 GLU A 73 38.317 -20.785 -33.850 1.00 0.00 H new ATOM 0 HB3 GLU A 73 37.989 -19.917 -32.363 1.00 0.00 H new ATOM 0 HG2 GLU A 73 39.915 -21.216 -31.853 1.00 0.00 H new ATOM 0 HG3 GLU A 73 38.600 -22.109 -31.114 1.00 0.00 H new ATOM 1137 N TRP A 74 35.641 -21.269 -30.554 1.00 0.00 N ATOM 1138 CA TRP A 74 35.309 -21.767 -29.218 1.00 0.00 C ATOM 1139 C TRP A 74 34.189 -22.841 -29.229 1.00 0.00 C ATOM 1140 O TRP A 74 34.232 -23.812 -28.468 1.00 0.00 O ATOM 1141 CB TRP A 74 35.284 -20.576 -28.214 1.00 0.00 C ATOM 1142 CG TRP A 74 34.171 -20.505 -27.168 1.00 0.00 C ATOM 1143 CD1 TRP A 74 33.508 -19.270 -27.029 1.00 0.00 C ATOM 1144 CD2 TRP A 74 34.376 -20.977 -25.884 1.00 0.00 C ATOM 1145 NE1 TRP A 74 33.351 -18.923 -25.677 1.00 0.00 N ATOM 1146 CE2 TRP A 74 33.905 -20.019 -24.988 1.00 0.00 C ATOM 1147 CE3 TRP A 74 35.447 -21.763 -25.533 1.00 0.00 C ATOM 1148 CZ2 TRP A 74 34.510 -19.889 -23.772 1.00 0.00 C ATOM 1149 CZ3 TRP A 74 35.946 -21.684 -24.270 1.00 0.00 C ATOM 1150 CH2 TRP A 74 35.463 -20.789 -23.394 1.00 0.00 C ATOM 0 H TRP A 74 35.397 -20.295 -30.733 1.00 0.00 H new ATOM 0 HA TRP A 74 36.091 -22.398 -28.797 1.00 0.00 H new ATOM 0 HB2 TRP A 74 36.235 -20.576 -27.681 1.00 0.00 H new ATOM 0 HB3 TRP A 74 35.245 -19.656 -28.797 1.00 0.00 H new ATOM 0 HD1 TRP A 74 33.164 -18.667 -27.856 1.00 0.00 H new ATOM 0 HE1 TRP A 74 32.934 -18.078 -25.287 1.00 0.00 H new ATOM 0 HE3 TRP A 74 35.888 -22.437 -26.253 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 34.236 -19.079 -23.113 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 36.741 -22.350 -23.968 1.00 0.00 H new ATOM 0 HH2 TRP A 74 35.833 -20.781 -22.379 1.00 0.00 H new ATOM 1161 N LEU A 75 33.286 -22.775 -30.219 1.00 0.00 N ATOM 1162 CA LEU A 75 32.321 -23.886 -30.393 1.00 0.00 C ATOM 1163 C LEU A 75 32.812 -25.031 -31.275 1.00 0.00 C ATOM 1164 O LEU A 75 32.452 -26.185 -31.046 1.00 0.00 O ATOM 1165 CB LEU A 75 30.921 -23.442 -30.825 1.00 0.00 C ATOM 1166 CG LEU A 75 29.966 -23.415 -29.622 1.00 0.00 C ATOM 1167 CD1 LEU A 75 29.518 -24.834 -29.212 1.00 0.00 C ATOM 1168 CD2 LEU A 75 30.663 -22.697 -28.465 1.00 0.00 C ATOM 0 H LEU A 75 33.198 -22.007 -30.885 1.00 0.00 H new ATOM 0 HA LEU A 75 32.241 -24.281 -29.380 1.00 0.00 H new ATOM 0 HB2 LEU A 75 30.971 -22.452 -31.278 1.00 0.00 H new ATOM 0 HB3 LEU A 75 30.537 -24.122 -31.586 1.00 0.00 H new ATOM 0 HG LEU A 75 29.059 -22.876 -29.897 1.00 0.00 H new ATOM 0 HD11 LEU A 75 28.844 -24.770 -28.358 1.00 0.00 H new ATOM 0 HD12 LEU A 75 29.002 -25.308 -30.047 1.00 0.00 H new ATOM 0 HD13 LEU A 75 30.391 -25.427 -28.941 1.00 0.00 H new ATOM 0 HD21 LEU A 75 29.999 -22.669 -27.601 1.00 0.00 H new ATOM 0 HD22 LEU A 75 31.576 -23.231 -28.203 1.00 0.00 H new ATOM 0 HD23 LEU A 75 30.911 -21.679 -28.765 1.00 0.00 H new ATOM 1180 N THR A 76 33.593 -24.749 -32.312 1.00 0.00 N ATOM 1181 CA THR A 76 34.164 -25.876 -33.067 1.00 0.00 C ATOM 1182 C THR A 76 35.178 -26.662 -32.229 1.00 0.00 C ATOM 1183 O THR A 76 35.312 -27.876 -32.377 1.00 0.00 O ATOM 1184 CB THR A 76 34.715 -25.538 -34.458 1.00 0.00 C ATOM 1185 OG1 THR A 76 33.631 -25.312 -35.353 1.00 0.00 O ATOM 1186 CG2 THR A 76 35.614 -24.305 -34.441 1.00 0.00 C ATOM 0 H THR A 76 33.839 -23.815 -32.640 1.00 0.00 H new ATOM 0 HA THR A 76 33.307 -26.517 -33.274 1.00 0.00 H new ATOM 0 HB THR A 76 35.318 -26.385 -34.786 1.00 0.00 H new ATOM 0 HG1 THR A 76 33.000 -24.679 -34.950 1.00 0.00 H new ATOM 0 HG21 THR A 76 35.979 -24.107 -35.449 1.00 0.00 H new ATOM 0 HG22 THR A 76 35.046 -23.445 -34.085 1.00 0.00 H new ATOM 0 HG23 THR A 76 36.460 -24.481 -33.777 1.00 0.00 H new ATOM 1194 N LEU A 77 35.888 -25.983 -31.328 1.00 0.00 N ATOM 1195 CA LEU A 77 36.716 -26.720 -30.376 1.00 0.00 C ATOM 1196 C LEU A 77 35.866 -27.502 -29.370 1.00 0.00 C ATOM 1197 O LEU A 77 36.133 -28.672 -29.084 1.00 0.00 O ATOM 1198 CB LEU A 77 37.719 -25.833 -29.644 1.00 0.00 C ATOM 1199 CG LEU A 77 38.567 -26.667 -28.677 1.00 0.00 C ATOM 1200 CD1 LEU A 77 39.964 -26.101 -28.581 1.00 0.00 C ATOM 1201 CD2 LEU A 77 37.973 -26.645 -27.278 1.00 0.00 C ATOM 0 H LEU A 77 35.909 -24.967 -31.238 1.00 0.00 H new ATOM 0 HA LEU A 77 37.288 -27.429 -30.974 1.00 0.00 H new ATOM 0 HB2 LEU A 77 38.365 -25.333 -30.365 1.00 0.00 H new ATOM 0 HB3 LEU A 77 37.191 -25.053 -29.095 1.00 0.00 H new ATOM 0 HG LEU A 77 38.588 -27.686 -29.063 1.00 0.00 H new ATOM 0 HD11 LEU A 77 40.554 -26.704 -27.891 1.00 0.00 H new ATOM 0 HD12 LEU A 77 40.431 -26.115 -29.566 1.00 0.00 H new ATOM 0 HD13 LEU A 77 39.917 -25.075 -28.217 1.00 0.00 H new ATOM 0 HD21 LEU A 77 38.592 -27.244 -26.610 1.00 0.00 H new ATOM 0 HD22 LEU A 77 37.936 -25.618 -26.915 1.00 0.00 H new ATOM 0 HD23 LEU A 77 36.964 -27.057 -27.304 1.00 0.00 H new ATOM 1213 N CYS A 78 34.852 -26.847 -28.799 1.00 0.00 N ATOM 1214 CA CYS A 78 33.968 -27.576 -27.871 1.00 0.00 C ATOM 1215 C CYS A 78 33.250 -28.715 -28.634 1.00 0.00 C ATOM 1216 O CYS A 78 32.893 -29.735 -28.049 1.00 0.00 O ATOM 1217 CB CYS A 78 32.959 -26.501 -27.450 1.00 0.00 C ATOM 1218 SG CYS A 78 33.493 -25.763 -25.870 1.00 0.00 S ATOM 0 H CYS A 78 34.625 -25.864 -28.948 1.00 0.00 H new ATOM 0 HA CYS A 78 34.487 -28.033 -27.028 1.00 0.00 H new ATOM 0 HB2 CYS A 78 32.887 -25.732 -28.219 1.00 0.00 H new ATOM 0 HB3 CYS A 78 31.966 -26.939 -27.344 1.00 0.00 H new ATOM 0 HG CYS A 78 33.286 -24.480 -25.898 1.00 0.00 H new ATOM 1224 N SER A 79 33.043 -28.560 -29.942 1.00 0.00 N ATOM 1225 CA SER A 79 32.551 -29.691 -30.739 1.00 0.00 C ATOM 1226 C SER A 79 33.628 -30.770 -30.941 1.00 0.00 C ATOM 1227 O SER A 79 33.348 -31.969 -30.893 1.00 0.00 O ATOM 1228 CB SER A 79 31.975 -29.250 -32.087 1.00 0.00 C ATOM 1229 OG SER A 79 30.975 -28.259 -31.882 1.00 0.00 O ATOM 0 H SER A 79 33.201 -27.696 -30.461 1.00 0.00 H new ATOM 0 HA SER A 79 31.738 -30.131 -30.161 1.00 0.00 H new ATOM 0 HB2 SER A 79 32.769 -28.853 -32.720 1.00 0.00 H new ATOM 0 HB3 SER A 79 31.549 -30.107 -32.609 1.00 0.00 H new ATOM 0 HG SER A 79 31.388 -27.447 -31.521 1.00 0.00 H new ATOM 1235 N LYS A 80 34.871 -30.340 -31.163 1.00 0.00 N ATOM 1236 CA LYS A 80 35.981 -31.305 -31.239 1.00 0.00 C ATOM 1237 C LYS A 80 36.099 -32.187 -29.990 1.00 0.00 C ATOM 1238 O LYS A 80 36.263 -33.405 -30.078 1.00 0.00 O ATOM 1239 CB LYS A 80 37.328 -30.600 -31.473 1.00 0.00 C ATOM 1240 CG LYS A 80 37.547 -30.194 -32.939 1.00 0.00 C ATOM 1241 CD LYS A 80 38.296 -28.854 -33.068 1.00 0.00 C ATOM 1242 CE LYS A 80 39.521 -28.766 -32.145 1.00 0.00 C ATOM 1243 NZ LYS A 80 40.227 -27.486 -32.357 1.00 0.00 N ATOM 0 H LYS A 80 35.135 -29.363 -31.290 1.00 0.00 H new ATOM 0 HA LYS A 80 35.744 -31.946 -32.088 1.00 0.00 H new ATOM 0 HB2 LYS A 80 37.381 -29.711 -30.844 1.00 0.00 H new ATOM 0 HB3 LYS A 80 38.137 -31.261 -31.160 1.00 0.00 H new ATOM 0 HG2 LYS A 80 38.112 -30.974 -33.449 1.00 0.00 H new ATOM 0 HG3 LYS A 80 36.582 -30.119 -33.441 1.00 0.00 H new ATOM 0 HD2 LYS A 80 38.615 -28.719 -34.102 1.00 0.00 H new ATOM 0 HD3 LYS A 80 37.613 -28.037 -32.836 1.00 0.00 H new ATOM 0 HE2 LYS A 80 39.208 -28.849 -31.104 1.00 0.00 H new ATOM 0 HE3 LYS A 80 40.195 -29.599 -32.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 40.981 -27.384 -31.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 40.643 -27.473 -33.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 39.554 -26.699 -32.262 1.00 0.00 H new ATOM 1257 N TRP A 81 36.026 -31.568 -28.819 1.00 0.00 N ATOM 1258 CA TRP A 81 36.138 -32.350 -27.580 1.00 0.00 C ATOM 1259 C TRP A 81 34.820 -32.994 -27.133 1.00 0.00 C ATOM 1260 O TRP A 81 34.790 -34.118 -26.633 1.00 0.00 O ATOM 1261 CB TRP A 81 36.731 -31.519 -26.431 1.00 0.00 C ATOM 1262 CG TRP A 81 38.227 -31.699 -26.347 1.00 0.00 C ATOM 1263 CD1 TRP A 81 39.173 -31.064 -27.141 1.00 0.00 C ATOM 1264 CD2 TRP A 81 38.834 -32.724 -25.692 1.00 0.00 C ATOM 1265 NE1 TRP A 81 40.436 -31.656 -26.943 1.00 0.00 N ATOM 1266 CE2 TRP A 81 40.182 -32.701 -26.038 1.00 0.00 C ATOM 1267 CE3 TRP A 81 38.456 -33.096 -24.435 1.00 0.00 C ATOM 1268 CZ2 TRP A 81 41.106 -33.095 -25.128 1.00 0.00 C ATOM 1269 CZ3 TRP A 81 39.384 -33.606 -23.592 1.00 0.00 C ATOM 1270 CH2 TRP A 81 40.702 -33.579 -23.922 1.00 0.00 C ATOM 0 H TRP A 81 35.895 -30.564 -28.694 1.00 0.00 H new ATOM 0 HA TRP A 81 36.822 -33.163 -27.824 1.00 0.00 H new ATOM 0 HB2 TRP A 81 36.496 -30.465 -26.581 1.00 0.00 H new ATOM 0 HB3 TRP A 81 36.272 -31.817 -25.488 1.00 0.00 H new ATOM 0 HD1 TRP A 81 38.971 -30.240 -27.810 1.00 0.00 H new ATOM 0 HE1 TRP A 81 41.328 -31.388 -27.360 1.00 0.00 H new ATOM 0 HE3 TRP A 81 37.430 -32.985 -24.117 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 42.159 -33.025 -25.359 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 39.075 -34.037 -22.651 1.00 0.00 H new ATOM 0 HH2 TRP A 81 41.436 -33.945 -23.220 1.00 0.00 H new ATOM 1281 N VAL A 82 33.722 -32.270 -27.296 1.00 0.00 N ATOM 1282 CA VAL A 82 32.431 -32.799 -26.819 1.00 0.00 C ATOM 1283 C VAL A 82 31.691 -33.625 -27.880 1.00 0.00 C ATOM 1284 O VAL A 82 31.351 -34.787 -27.655 1.00 0.00 O ATOM 1285 CB VAL A 82 31.518 -31.704 -26.223 1.00 0.00 C ATOM 1286 CG1 VAL A 82 30.216 -32.303 -25.681 1.00 0.00 C ATOM 1287 CG2 VAL A 82 32.228 -30.963 -25.084 1.00 0.00 C ATOM 0 H VAL A 82 33.685 -31.350 -27.735 1.00 0.00 H new ATOM 0 HA VAL A 82 32.686 -33.481 -26.008 1.00 0.00 H new ATOM 0 HB VAL A 82 31.287 -31.006 -27.028 1.00 0.00 H new ATOM 0 HG11 VAL A 82 29.594 -31.509 -25.268 1.00 0.00 H new ATOM 0 HG12 VAL A 82 29.680 -32.800 -26.489 1.00 0.00 H new ATOM 0 HG13 VAL A 82 30.446 -33.027 -24.899 1.00 0.00 H new ATOM 0 HG21 VAL A 82 31.566 -30.197 -24.680 1.00 0.00 H new ATOM 0 HG22 VAL A 82 32.488 -31.670 -24.296 1.00 0.00 H new ATOM 0 HG23 VAL A 82 33.135 -30.494 -25.465 1.00 0.00 H new