USER MOD reduce.3.24.130724 H: found=0, std=0, add=546, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 545 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 30 GLN : amide:sc= -2.51 K(o=-2.7,f=-11!) USER MOD Set 1.2: A 73 ASN : amide:sc= -0.227 K(o=-2.7,f=-0.17) USER MOD Single : A 14 SER OG : rot 47:sc= 0.0564 USER MOD Single : A 15 HIS : no HD1:sc= -0.515 X(o=-0.51,f=-0.051) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -159:sc= -0.0664 (180deg=-0.677) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 CYS SG : rot 160:sc= -0.358 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 42 SER OG : rot 180:sc= -0.22 USER MOD Single : A 44 ASN : amide:sc= -0.49 K(o=-0.49,f=-1.1) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 160:sc= -0.0592 (180deg=-0.435) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HE2:sc= 0.161 K(o=0.16,f=-3.6!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.045 X(o=-0.045,f=-0.045) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.48 X(o=-0.48,f=-0.4) USER MOD Single : A 61 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.483) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot -170:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 197 N VAL A 10 0.913 -21.004 -23.725 1.00 0.00 N ATOM 198 CA VAL A 10 1.483 -19.684 -23.969 1.00 0.00 C ATOM 199 C VAL A 10 2.624 -19.391 -23.003 1.00 0.00 C ATOM 200 O VAL A 10 2.708 -19.956 -21.912 1.00 0.00 O ATOM 201 CB VAL A 10 0.417 -18.580 -23.838 1.00 0.00 C ATOM 202 CG1 VAL A 10 -0.460 -18.533 -25.080 1.00 0.00 C ATOM 203 CG2 VAL A 10 -0.424 -18.797 -22.589 1.00 0.00 C ATOM 0 HA VAL A 10 1.867 -19.689 -24.989 1.00 0.00 H new ATOM 0 HB VAL A 10 0.924 -17.620 -23.745 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.207 -17.747 -24.968 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.158 -18.325 -25.954 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.960 -19.493 -25.209 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.172 -18.008 -22.512 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.922 -19.765 -22.649 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.219 -18.774 -21.709 1.00 0.00 H new ATOM 213 N PRO A 11 3.526 -18.485 -23.409 1.00 0.00 N ATOM 214 CA PRO A 11 4.680 -18.095 -22.593 1.00 0.00 C ATOM 215 C PRO A 11 4.275 -17.285 -21.367 1.00 0.00 C ATOM 216 O PRO A 11 4.883 -17.405 -20.303 1.00 0.00 O ATOM 217 CB PRO A 11 5.516 -17.239 -23.548 1.00 0.00 C ATOM 218 CG PRO A 11 4.536 -16.705 -24.535 1.00 0.00 C ATOM 219 CD PRO A 11 3.489 -17.772 -24.697 1.00 0.00 C ATOM 0 HA PRO A 11 5.212 -18.961 -22.198 1.00 0.00 H new ATOM 0 HB2 PRO A 11 6.022 -16.433 -23.017 1.00 0.00 H new ATOM 0 HB3 PRO A 11 6.288 -17.832 -24.038 1.00 0.00 H new ATOM 0 HG2 PRO A 11 4.093 -15.774 -24.181 1.00 0.00 H new ATOM 0 HG3 PRO A 11 5.020 -16.486 -25.487 1.00 0.00 H new ATOM 0 HD2 PRO A 11 2.506 -17.344 -24.891 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.718 -18.436 -25.531 1.00 0.00 H new ATOM 227 N ARG A 12 3.244 -16.460 -21.522 1.00 0.00 N ATOM 228 CA ARG A 12 2.758 -15.630 -20.427 1.00 0.00 C ATOM 229 C ARG A 12 1.551 -16.273 -19.750 1.00 0.00 C ATOM 230 O ARG A 12 0.697 -16.862 -20.412 1.00 0.00 O ATOM 231 CB ARG A 12 2.386 -14.238 -20.940 1.00 0.00 C ATOM 232 CG ARG A 12 3.558 -13.271 -20.982 1.00 0.00 C ATOM 233 CD ARG A 12 3.791 -12.619 -19.628 1.00 0.00 C ATOM 234 NE ARG A 12 4.861 -11.626 -19.675 1.00 0.00 N ATOM 235 CZ ARG A 12 5.099 -10.755 -18.701 1.00 0.00 C ATOM 236 NH1 ARG A 12 4.346 -10.754 -17.610 1.00 0.00 N ATOM 237 NH2 ARG A 12 6.091 -9.882 -18.817 1.00 0.00 N ATOM 0 H ARG A 12 2.729 -16.349 -22.396 1.00 0.00 H new ATOM 0 HA ARG A 12 3.558 -15.538 -19.693 1.00 0.00 H new ATOM 0 HB2 ARG A 12 1.965 -14.330 -21.941 1.00 0.00 H new ATOM 0 HB3 ARG A 12 1.605 -13.822 -20.303 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.458 -13.802 -21.291 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.369 -12.501 -21.730 1.00 0.00 H new ATOM 0 HD2 ARG A 12 2.870 -12.143 -19.291 1.00 0.00 H new ATOM 0 HD3 ARG A 12 4.040 -13.386 -18.895 1.00 0.00 H new ATOM 0 HE ARG A 12 5.458 -11.600 -20.501 1.00 0.00 H new ATOM 0 HH11 ARG A 12 3.582 -11.423 -17.517 1.00 0.00 H new ATOM 0 HH12 ARG A 12 4.531 -10.084 -16.863 1.00 0.00 H new ATOM 0 HH21 ARG A 12 6.672 -9.879 -19.655 1.00 0.00 H new ATOM 0 HH22 ARG A 12 6.272 -9.214 -18.068 1.00 0.00 H new ATOM 251 N GLY A 13 1.489 -16.157 -18.427 1.00 0.00 N ATOM 252 CA GLY A 13 0.384 -16.732 -17.683 1.00 0.00 C ATOM 253 C GLY A 13 -0.777 -15.769 -17.531 1.00 0.00 C ATOM 254 O GLY A 13 -1.851 -15.987 -18.092 1.00 0.00 O ATOM 0 H GLY A 13 2.184 -15.675 -17.857 1.00 0.00 H new ATOM 0 HA2 GLY A 13 0.040 -17.634 -18.189 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.733 -17.034 -16.696 1.00 0.00 H new ATOM 258 N SER A 14 -0.561 -14.701 -16.769 1.00 0.00 N ATOM 259 CA SER A 14 -1.600 -13.704 -16.540 1.00 0.00 C ATOM 260 C SER A 14 -1.467 -12.545 -17.523 1.00 0.00 C ATOM 261 O SER A 14 -0.503 -11.781 -17.472 1.00 0.00 O ATOM 262 CB SER A 14 -1.526 -13.181 -15.104 1.00 0.00 C ATOM 263 OG SER A 14 -0.184 -12.950 -14.714 1.00 0.00 O ATOM 0 H SER A 14 0.323 -14.504 -16.300 1.00 0.00 H new ATOM 0 HA SER A 14 -2.568 -14.181 -16.696 1.00 0.00 H new ATOM 0 HB2 SER A 14 -2.097 -12.256 -15.021 1.00 0.00 H new ATOM 0 HB3 SER A 14 -1.986 -13.901 -14.427 1.00 0.00 H new ATOM 0 HG SER A 14 0.280 -12.450 -15.418 1.00 0.00 H new ATOM 269 N HIS A 15 -2.442 -12.421 -18.417 1.00 0.00 N ATOM 270 CA HIS A 15 -2.435 -11.355 -19.413 1.00 0.00 C ATOM 271 C HIS A 15 -3.765 -11.300 -20.159 1.00 0.00 C ATOM 272 O HIS A 15 -4.658 -12.111 -19.916 1.00 0.00 O ATOM 273 CB HIS A 15 -1.289 -11.561 -20.404 1.00 0.00 C ATOM 274 CG HIS A 15 -1.520 -12.691 -21.360 1.00 0.00 C ATOM 275 ND1 HIS A 15 -0.957 -12.739 -22.618 1.00 0.00 N ATOM 276 CD2 HIS A 15 -2.256 -13.820 -21.235 1.00 0.00 C ATOM 277 CE1 HIS A 15 -1.339 -13.848 -23.226 1.00 0.00 C ATOM 278 NE2 HIS A 15 -2.127 -14.522 -22.408 1.00 0.00 N ATOM 0 H HIS A 15 -3.247 -13.045 -18.473 1.00 0.00 H new ATOM 0 HA HIS A 15 -2.290 -10.408 -18.894 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -1.139 -10.642 -20.970 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -0.369 -11.747 -19.850 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -2.837 -14.114 -20.373 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -1.055 -14.152 -24.223 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -2.568 -15.418 -22.614 1.00 0.00 H new ATOM 286 N MET A 16 -3.889 -10.338 -21.068 1.00 0.00 N ATOM 287 CA MET A 16 -5.109 -10.178 -21.849 1.00 0.00 C ATOM 288 C MET A 16 -4.948 -10.784 -23.239 1.00 0.00 C ATOM 289 O MET A 16 -3.916 -11.378 -23.552 1.00 0.00 O ATOM 290 CB MET A 16 -5.475 -8.697 -21.966 1.00 0.00 C ATOM 291 CG MET A 16 -6.054 -8.111 -20.688 1.00 0.00 C ATOM 292 SD MET A 16 -7.182 -6.740 -21.001 1.00 0.00 S ATOM 293 CE MET A 16 -8.693 -7.371 -20.275 1.00 0.00 C ATOM 0 H MET A 16 -3.159 -9.658 -21.281 1.00 0.00 H new ATOM 0 HA MET A 16 -5.912 -10.704 -21.333 1.00 0.00 H new ATOM 0 HB2 MET A 16 -4.585 -8.132 -22.244 1.00 0.00 H new ATOM 0 HB3 MET A 16 -6.197 -8.572 -22.773 1.00 0.00 H new ATOM 0 HG2 MET A 16 -6.581 -8.893 -20.141 1.00 0.00 H new ATOM 0 HG3 MET A 16 -5.240 -7.768 -20.049 1.00 0.00 H new ATOM 0 HE1 MET A 16 -9.487 -6.633 -20.390 1.00 0.00 H new ATOM 0 HE2 MET A 16 -8.980 -8.295 -20.778 1.00 0.00 H new ATOM 0 HE3 MET A 16 -8.532 -7.569 -19.215 1.00 0.00 H new ATOM 303 N SER A 17 -5.975 -10.632 -24.070 1.00 0.00 N ATOM 304 CA SER A 17 -5.948 -11.168 -25.425 1.00 0.00 C ATOM 305 C SER A 17 -6.227 -10.072 -26.449 1.00 0.00 C ATOM 306 O SER A 17 -6.334 -8.896 -26.103 1.00 0.00 O ATOM 307 CB SER A 17 -6.976 -12.292 -25.571 1.00 0.00 C ATOM 308 OG SER A 17 -6.930 -13.173 -24.462 1.00 0.00 O ATOM 0 H SER A 17 -6.836 -10.142 -23.828 1.00 0.00 H new ATOM 0 HA SER A 17 -4.952 -11.569 -25.611 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.975 -11.866 -25.659 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.784 -12.848 -26.489 1.00 0.00 H new ATOM 0 HG SER A 17 -7.597 -13.881 -24.579 1.00 0.00 H new ATOM 314 N VAL A 18 -6.344 -10.468 -27.713 1.00 0.00 N ATOM 315 CA VAL A 18 -6.612 -9.521 -28.789 1.00 0.00 C ATOM 316 C VAL A 18 -8.018 -8.942 -28.675 1.00 0.00 C ATOM 317 O VAL A 18 -8.354 -7.965 -29.343 1.00 0.00 O ATOM 318 CB VAL A 18 -6.450 -10.181 -30.171 1.00 0.00 C ATOM 319 CG1 VAL A 18 -7.501 -11.262 -30.372 1.00 0.00 C ATOM 320 CG2 VAL A 18 -6.531 -9.135 -31.273 1.00 0.00 C ATOM 0 H VAL A 18 -6.257 -11.438 -28.017 1.00 0.00 H new ATOM 0 HA VAL A 18 -5.883 -8.717 -28.691 1.00 0.00 H new ATOM 0 HB VAL A 18 -5.467 -10.650 -30.218 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -7.371 -11.717 -31.354 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -7.391 -12.024 -29.601 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -8.495 -10.820 -30.306 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -6.415 -9.619 -32.243 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -7.499 -8.636 -31.230 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.738 -8.400 -31.136 1.00 0.00 H new ATOM 330 N ASP A 19 -8.835 -9.553 -27.824 1.00 0.00 N ATOM 331 CA ASP A 19 -10.206 -9.098 -27.621 1.00 0.00 C ATOM 332 C ASP A 19 -10.234 -7.640 -27.173 1.00 0.00 C ATOM 333 O ASP A 19 -11.219 -6.933 -27.388 1.00 0.00 O ATOM 334 CB ASP A 19 -10.909 -9.976 -26.585 1.00 0.00 C ATOM 335 CG ASP A 19 -12.414 -9.792 -26.595 1.00 0.00 C ATOM 336 OD1 ASP A 19 -13.022 -9.937 -27.677 1.00 0.00 O ATOM 337 OD2 ASP A 19 -12.984 -9.505 -25.522 1.00 0.00 O ATOM 0 H ASP A 19 -8.572 -10.364 -27.264 1.00 0.00 H new ATOM 0 HA ASP A 19 -10.734 -9.178 -28.571 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -10.673 -11.022 -26.779 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -10.524 -9.741 -25.593 1.00 0.00 H new ATOM 342 N ASP A 20 -9.148 -7.197 -26.549 1.00 0.00 N ATOM 343 CA ASP A 20 -9.047 -5.823 -26.071 1.00 0.00 C ATOM 344 C ASP A 20 -8.199 -4.979 -27.017 1.00 0.00 C ATOM 345 O ASP A 20 -7.712 -3.911 -26.645 1.00 0.00 O ATOM 346 CB ASP A 20 -8.448 -5.792 -24.664 1.00 0.00 C ATOM 347 CG ASP A 20 -9.388 -6.367 -23.622 1.00 0.00 C ATOM 348 OD1 ASP A 20 -10.245 -5.613 -23.116 1.00 0.00 O ATOM 349 OD2 ASP A 20 -9.266 -7.571 -23.314 1.00 0.00 O ATOM 0 H ASP A 20 -8.325 -7.770 -26.362 1.00 0.00 H new ATOM 0 HA ASP A 20 -10.052 -5.401 -26.039 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -7.515 -6.355 -24.657 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.202 -4.764 -24.399 1.00 0.00 H new ATOM 354 N ILE A 21 -8.026 -5.465 -28.242 1.00 0.00 N ATOM 355 CA ILE A 21 -7.236 -4.756 -29.241 1.00 0.00 C ATOM 356 C ILE A 21 -7.987 -4.656 -30.564 1.00 0.00 C ATOM 357 O ILE A 21 -8.697 -5.581 -30.958 1.00 0.00 O ATOM 358 CB ILE A 21 -5.881 -5.446 -29.482 1.00 0.00 C ATOM 359 CG1 ILE A 21 -5.077 -5.510 -28.182 1.00 0.00 C ATOM 360 CG2 ILE A 21 -5.098 -4.713 -30.561 1.00 0.00 C ATOM 361 CD1 ILE A 21 -3.816 -6.338 -28.291 1.00 0.00 C ATOM 0 H ILE A 21 -8.423 -6.347 -28.566 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.058 -3.754 -28.850 1.00 0.00 H new ATOM 0 HB ILE A 21 -6.065 -6.465 -29.823 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -4.812 -4.497 -27.878 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -5.707 -5.924 -27.395 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -4.142 -5.213 -30.720 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -5.668 -4.716 -31.490 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -4.922 -3.684 -30.247 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -3.297 -6.339 -27.332 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -4.075 -7.361 -28.564 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -3.166 -5.912 -29.055 1.00 0.00 H new ATOM 373 N ILE A 22 -7.822 -3.528 -31.247 1.00 0.00 N ATOM 374 CA ILE A 22 -8.482 -3.308 -32.529 1.00 0.00 C ATOM 375 C ILE A 22 -7.465 -3.019 -33.628 1.00 0.00 C ATOM 376 O ILE A 22 -6.256 -3.108 -33.408 1.00 0.00 O ATOM 377 CB ILE A 22 -9.485 -2.142 -32.453 1.00 0.00 C ATOM 378 CG1 ILE A 22 -8.748 -0.820 -32.233 1.00 0.00 C ATOM 379 CG2 ILE A 22 -10.495 -2.384 -31.341 1.00 0.00 C ATOM 380 CD1 ILE A 22 -9.667 0.379 -32.161 1.00 0.00 C ATOM 0 H ILE A 22 -7.237 -2.753 -30.935 1.00 0.00 H new ATOM 0 HA ILE A 22 -9.021 -4.225 -32.768 1.00 0.00 H new ATOM 0 HB ILE A 22 -10.023 -2.083 -33.399 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -8.173 -0.883 -31.309 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -8.034 -0.672 -33.043 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -11.197 -1.551 -31.300 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -11.039 -3.308 -31.538 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -9.973 -2.466 -30.387 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -9.076 1.281 -32.004 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -10.223 0.468 -33.094 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -10.365 0.253 -31.333 1.00 0.00 H new ATOM 392 N ILE A 23 -7.962 -2.670 -34.809 1.00 0.00 N ATOM 393 CA ILE A 23 -7.097 -2.365 -35.942 1.00 0.00 C ATOM 394 C ILE A 23 -6.765 -0.877 -35.994 1.00 0.00 C ATOM 395 O ILE A 23 -7.556 -0.037 -35.565 1.00 0.00 O ATOM 396 CB ILE A 23 -7.746 -2.781 -37.275 1.00 0.00 C ATOM 397 CG1 ILE A 23 -8.293 -4.207 -37.178 1.00 0.00 C ATOM 398 CG2 ILE A 23 -6.740 -2.670 -38.411 1.00 0.00 C ATOM 399 CD1 ILE A 23 -7.232 -5.241 -36.873 1.00 0.00 C ATOM 0 H ILE A 23 -8.960 -2.591 -35.007 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.179 -2.936 -35.801 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.577 -2.107 -37.484 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.057 -4.242 -36.402 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.781 -4.465 -38.118 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.213 -2.967 -39.347 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.394 -1.640 -38.491 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.891 -3.323 -38.210 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.691 -6.228 -36.819 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.479 -5.234 -37.661 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.760 -5.007 -35.919 1.00 0.00 H new ATOM 411 N LYS A 24 -5.589 -0.557 -36.524 1.00 0.00 N ATOM 412 CA LYS A 24 -5.151 0.829 -36.636 1.00 0.00 C ATOM 413 C LYS A 24 -5.069 1.486 -35.262 1.00 0.00 C ATOM 414 O LYS A 24 -5.243 2.698 -35.132 1.00 0.00 O ATOM 415 CB LYS A 24 -6.108 1.617 -37.533 1.00 0.00 C ATOM 416 CG LYS A 24 -6.238 1.045 -38.934 1.00 0.00 C ATOM 417 CD LYS A 24 -7.656 1.181 -39.463 1.00 0.00 C ATOM 418 CE LYS A 24 -7.886 2.547 -40.093 1.00 0.00 C ATOM 419 NZ LYS A 24 -8.033 3.614 -39.065 1.00 0.00 N ATOM 0 H LYS A 24 -4.922 -1.240 -36.883 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.157 0.835 -37.082 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.093 1.641 -37.067 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.762 2.648 -37.601 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.548 1.559 -39.603 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -5.951 -0.006 -38.927 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.847 0.402 -40.201 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.365 1.030 -38.649 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.051 2.789 -40.751 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.782 2.515 -40.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.527 4.430 -39.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.582 3.248 -38.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.092 3.910 -38.735 1.00 0.00 H new ATOM 433 N CYS A 25 -4.801 0.680 -34.240 1.00 0.00 N ATOM 434 CA CYS A 25 -4.695 1.184 -32.876 1.00 0.00 C ATOM 435 C CYS A 25 -3.243 1.482 -32.518 1.00 0.00 C ATOM 436 O CYS A 25 -2.328 0.803 -32.982 1.00 0.00 O ATOM 437 CB CYS A 25 -5.278 0.171 -31.889 1.00 0.00 C ATOM 438 SG CYS A 25 -5.731 0.878 -30.288 1.00 0.00 S ATOM 0 H CYS A 25 -4.653 -0.325 -34.331 1.00 0.00 H new ATOM 0 HA CYS A 25 -5.264 2.112 -32.813 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -6.161 -0.288 -32.334 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -4.551 -0.625 -31.730 1.00 0.00 H new ATOM 0 HG CYS A 25 -6.216 -0.055 -29.523 1.00 0.00 H new ATOM 444 N GLN A 26 -3.040 2.504 -31.692 1.00 0.00 N ATOM 445 CA GLN A 26 -1.699 2.893 -31.274 1.00 0.00 C ATOM 446 C GLN A 26 -1.297 2.172 -29.992 1.00 0.00 C ATOM 447 O GLN A 26 -1.976 2.277 -28.970 1.00 0.00 O ATOM 448 CB GLN A 26 -1.626 4.407 -31.066 1.00 0.00 C ATOM 449 CG GLN A 26 -2.578 4.920 -29.998 1.00 0.00 C ATOM 450 CD GLN A 26 -3.166 6.275 -30.342 1.00 0.00 C ATOM 451 OE1 GLN A 26 -4.384 6.435 -30.417 1.00 0.00 O ATOM 452 NE2 GLN A 26 -2.300 7.259 -30.554 1.00 0.00 N ATOM 0 H GLN A 26 -3.787 3.077 -31.300 1.00 0.00 H new ATOM 0 HA GLN A 26 -1.003 2.607 -32.063 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.606 4.679 -30.793 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -1.848 4.906 -32.009 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -3.386 4.201 -29.862 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -2.049 4.989 -29.048 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -1.298 7.081 -30.481 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -2.637 8.193 -30.790 1.00 0.00 H new ATOM 461 N CYS A 27 -0.190 1.440 -30.053 1.00 0.00 N ATOM 462 CA CYS A 27 0.302 0.699 -28.897 1.00 0.00 C ATOM 463 C CYS A 27 1.750 1.068 -28.591 1.00 0.00 C ATOM 464 O CYS A 27 2.560 1.250 -29.501 1.00 0.00 O ATOM 465 CB CYS A 27 0.187 -0.806 -29.142 1.00 0.00 C ATOM 466 SG CYS A 27 -0.387 -1.746 -27.708 1.00 0.00 S ATOM 0 H CYS A 27 0.384 1.344 -30.891 1.00 0.00 H new ATOM 0 HA CYS A 27 -0.312 0.967 -28.037 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.498 -0.977 -29.973 1.00 0.00 H new ATOM 0 HB3 CYS A 27 1.161 -1.189 -29.448 1.00 0.00 H new ATOM 0 HG CYS A 27 -0.855 -2.894 -28.100 1.00 0.00 H new ATOM 472 N TRP A 28 2.069 1.177 -27.307 1.00 0.00 N ATOM 473 CA TRP A 28 3.420 1.526 -26.881 1.00 0.00 C ATOM 474 C TRP A 28 4.287 0.279 -26.747 1.00 0.00 C ATOM 475 O TRP A 28 3.891 -0.699 -26.113 1.00 0.00 O ATOM 476 CB TRP A 28 3.379 2.280 -25.551 1.00 0.00 C ATOM 477 CG TRP A 28 3.187 3.758 -25.712 1.00 0.00 C ATOM 478 CD1 TRP A 28 1.999 4.428 -25.776 1.00 0.00 C ATOM 479 CD2 TRP A 28 4.215 4.747 -25.830 1.00 0.00 C ATOM 480 NE1 TRP A 28 2.227 5.774 -25.927 1.00 0.00 N ATOM 481 CE2 TRP A 28 3.578 5.996 -25.962 1.00 0.00 C ATOM 482 CE3 TRP A 28 5.612 4.700 -25.834 1.00 0.00 C ATOM 483 CZ2 TRP A 28 4.291 7.185 -26.099 1.00 0.00 C ATOM 484 CZ3 TRP A 28 6.318 5.880 -25.970 1.00 0.00 C ATOM 485 CH2 TRP A 28 5.657 7.109 -26.100 1.00 0.00 C ATOM 0 H TRP A 28 1.411 1.029 -26.542 1.00 0.00 H new ATOM 0 HA TRP A 28 3.859 2.171 -27.642 1.00 0.00 H new ATOM 0 HB2 TRP A 28 2.570 1.880 -24.940 1.00 0.00 H new ATOM 0 HB3 TRP A 28 4.307 2.098 -25.010 1.00 0.00 H new ATOM 0 HD1 TRP A 28 1.024 3.968 -25.717 1.00 0.00 H new ATOM 0 HE1 TRP A 28 1.507 6.492 -26.001 1.00 0.00 H new ATOM 0 HE3 TRP A 28 6.130 3.758 -25.733 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 3.784 8.133 -26.201 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 7.398 5.855 -25.976 1.00 0.00 H new ATOM 0 HH2 TRP A 28 6.237 8.014 -26.203 1.00 0.00 H new ATOM 496 N VAL A 29 5.473 0.320 -27.347 1.00 0.00 N ATOM 497 CA VAL A 29 6.397 -0.806 -27.292 1.00 0.00 C ATOM 498 C VAL A 29 7.477 -0.580 -26.241 1.00 0.00 C ATOM 499 O VAL A 29 8.330 0.295 -26.392 1.00 0.00 O ATOM 500 CB VAL A 29 7.067 -1.049 -28.658 1.00 0.00 C ATOM 501 CG1 VAL A 29 8.020 -2.232 -28.582 1.00 0.00 C ATOM 502 CG2 VAL A 29 6.015 -1.269 -29.735 1.00 0.00 C ATOM 0 H VAL A 29 5.816 1.121 -27.877 1.00 0.00 H new ATOM 0 HA VAL A 29 5.810 -1.684 -27.022 1.00 0.00 H new ATOM 0 HB VAL A 29 7.645 -0.164 -28.923 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.484 -2.389 -29.556 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.793 -2.030 -27.840 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.467 -3.127 -28.295 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.506 -1.439 -30.693 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.408 -2.137 -29.479 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.377 -0.388 -29.805 1.00 0.00 H new ATOM 512 N GLN A 30 7.435 -1.375 -25.177 1.00 0.00 N ATOM 513 CA GLN A 30 8.412 -1.260 -24.100 1.00 0.00 C ATOM 514 C GLN A 30 9.764 -1.820 -24.529 1.00 0.00 C ATOM 515 O GLN A 30 9.836 -2.758 -25.323 1.00 0.00 O ATOM 516 CB GLN A 30 7.916 -1.995 -22.853 1.00 0.00 C ATOM 517 CG GLN A 30 7.751 -3.492 -23.054 1.00 0.00 C ATOM 518 CD GLN A 30 6.340 -3.875 -23.457 1.00 0.00 C ATOM 519 OE1 GLN A 30 5.378 -3.181 -23.127 1.00 0.00 O ATOM 520 NE2 GLN A 30 6.210 -4.985 -24.175 1.00 0.00 N ATOM 0 H GLN A 30 6.736 -2.105 -25.037 1.00 0.00 H new ATOM 0 HA GLN A 30 8.535 -0.202 -23.866 1.00 0.00 H new ATOM 0 HB2 GLN A 30 8.617 -1.822 -22.037 1.00 0.00 H new ATOM 0 HB3 GLN A 30 6.960 -1.570 -22.548 1.00 0.00 H new ATOM 0 HG2 GLN A 30 8.448 -3.831 -23.820 1.00 0.00 H new ATOM 0 HG3 GLN A 30 8.015 -4.010 -22.132 1.00 0.00 H new ATOM 0 HE21 GLN A 30 7.035 -5.530 -24.426 1.00 0.00 H new ATOM 0 HE22 GLN A 30 5.285 -5.293 -24.475 1.00 0.00 H new ATOM 529 N LYS A 31 10.835 -1.237 -24.000 1.00 0.00 N ATOM 530 CA LYS A 31 12.186 -1.677 -24.327 1.00 0.00 C ATOM 531 C LYS A 31 13.013 -1.882 -23.062 1.00 0.00 C ATOM 532 O LYS A 31 12.632 -1.433 -21.982 1.00 0.00 O ATOM 533 CB LYS A 31 12.871 -0.655 -25.237 1.00 0.00 C ATOM 534 CG LYS A 31 13.763 -1.282 -26.294 1.00 0.00 C ATOM 535 CD LYS A 31 15.233 -1.143 -25.936 1.00 0.00 C ATOM 536 CE LYS A 31 16.083 -0.868 -27.168 1.00 0.00 C ATOM 537 NZ LYS A 31 16.346 -2.108 -27.949 1.00 0.00 N ATOM 0 H LYS A 31 10.793 -0.458 -23.343 1.00 0.00 H new ATOM 0 HA LYS A 31 12.114 -2.630 -24.851 1.00 0.00 H new ATOM 0 HB2 LYS A 31 12.109 -0.051 -25.729 1.00 0.00 H new ATOM 0 HB3 LYS A 31 13.468 0.021 -24.625 1.00 0.00 H new ATOM 0 HG2 LYS A 31 13.512 -2.337 -26.404 1.00 0.00 H new ATOM 0 HG3 LYS A 31 13.576 -0.808 -27.257 1.00 0.00 H new ATOM 0 HD2 LYS A 31 15.359 -0.333 -25.218 1.00 0.00 H new ATOM 0 HD3 LYS A 31 15.578 -2.056 -25.451 1.00 0.00 H new ATOM 0 HE2 LYS A 31 15.578 -0.140 -27.802 1.00 0.00 H new ATOM 0 HE3 LYS A 31 17.030 -0.423 -26.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 16.928 -1.878 -28.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 16.851 -2.794 -27.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 15.443 -2.519 -28.262 1.00 0.00 H new ATOM 551 N ASN A 32 14.146 -2.562 -23.205 1.00 0.00 N ATOM 552 CA ASN A 32 15.027 -2.825 -22.073 1.00 0.00 C ATOM 553 C ASN A 32 15.330 -1.540 -21.309 1.00 0.00 C ATOM 554 O ASN A 32 14.978 -1.404 -20.137 1.00 0.00 O ATOM 555 CB ASN A 32 16.331 -3.466 -22.553 1.00 0.00 C ATOM 556 CG ASN A 32 16.144 -4.911 -22.973 1.00 0.00 C ATOM 557 OD1 ASN A 32 15.525 -5.701 -22.260 1.00 0.00 O ATOM 558 ND2 ASN A 32 16.681 -5.263 -24.135 1.00 0.00 N ATOM 0 H ASN A 32 14.475 -2.941 -24.093 1.00 0.00 H new ATOM 0 HA ASN A 32 14.517 -3.515 -21.400 1.00 0.00 H new ATOM 0 HB2 ASN A 32 16.726 -2.894 -23.393 1.00 0.00 H new ATOM 0 HB3 ASN A 32 17.073 -3.415 -21.756 1.00 0.00 H new ATOM 0 HD21 ASN A 32 16.589 -6.222 -24.470 1.00 0.00 H new ATOM 0 HD22 ASN A 32 17.186 -4.574 -24.693 1.00 0.00 H new ATOM 565 N ASP A 33 15.984 -0.599 -21.981 1.00 0.00 N ATOM 566 CA ASP A 33 16.334 0.677 -21.367 1.00 0.00 C ATOM 567 C ASP A 33 15.842 1.843 -22.219 1.00 0.00 C ATOM 568 O ASP A 33 16.344 2.961 -22.106 1.00 0.00 O ATOM 569 CB ASP A 33 17.848 0.775 -21.171 1.00 0.00 C ATOM 570 CG ASP A 33 18.382 -0.296 -20.241 1.00 0.00 C ATOM 571 OD1 ASP A 33 17.661 -0.672 -19.293 1.00 0.00 O ATOM 572 OD2 ASP A 33 19.520 -0.759 -20.461 1.00 0.00 O ATOM 0 H ASP A 33 16.283 -0.696 -22.951 1.00 0.00 H new ATOM 0 HA ASP A 33 15.846 0.730 -20.394 1.00 0.00 H new ATOM 0 HB2 ASP A 33 18.343 0.691 -22.139 1.00 0.00 H new ATOM 0 HB3 ASP A 33 18.097 1.757 -20.770 1.00 0.00 H new ATOM 577 N GLU A 34 14.858 1.573 -23.071 1.00 0.00 N ATOM 578 CA GLU A 34 14.301 2.600 -23.943 1.00 0.00 C ATOM 579 C GLU A 34 12.785 2.458 -24.051 1.00 0.00 C ATOM 580 O GLU A 34 12.195 1.546 -23.473 1.00 0.00 O ATOM 581 CB GLU A 34 14.932 2.517 -25.335 1.00 0.00 C ATOM 582 CG GLU A 34 16.450 2.478 -25.313 1.00 0.00 C ATOM 583 CD GLU A 34 17.052 2.420 -26.703 1.00 0.00 C ATOM 584 OE1 GLU A 34 16.421 2.945 -27.645 1.00 0.00 O ATOM 585 OE2 GLU A 34 18.154 1.851 -26.850 1.00 0.00 O ATOM 0 H GLU A 34 14.431 0.653 -23.176 1.00 0.00 H new ATOM 0 HA GLU A 34 14.528 3.573 -23.507 1.00 0.00 H new ATOM 0 HB2 GLU A 34 14.561 1.625 -25.840 1.00 0.00 H new ATOM 0 HB3 GLU A 34 14.607 3.375 -25.924 1.00 0.00 H new ATOM 0 HG2 GLU A 34 16.825 3.361 -24.795 1.00 0.00 H new ATOM 0 HG3 GLU A 34 16.779 1.610 -24.742 1.00 0.00 H new ATOM 592 N GLU A 35 12.163 3.368 -24.794 1.00 0.00 N ATOM 593 CA GLU A 35 10.716 3.345 -24.976 1.00 0.00 C ATOM 594 C GLU A 35 10.343 3.691 -26.414 1.00 0.00 C ATOM 595 O GLU A 35 10.631 4.788 -26.895 1.00 0.00 O ATOM 596 CB GLU A 35 10.043 4.325 -24.013 1.00 0.00 C ATOM 597 CG GLU A 35 9.653 3.701 -22.683 1.00 0.00 C ATOM 598 CD GLU A 35 10.738 3.841 -21.633 1.00 0.00 C ATOM 599 OE1 GLU A 35 11.416 4.889 -21.616 1.00 0.00 O ATOM 600 OE2 GLU A 35 10.908 2.902 -20.827 1.00 0.00 O ATOM 0 H GLU A 35 12.638 4.129 -25.279 1.00 0.00 H new ATOM 0 HA GLU A 35 10.365 2.336 -24.761 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.718 5.161 -23.829 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.151 4.734 -24.488 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.739 4.170 -22.320 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.431 2.644 -22.833 1.00 0.00 H new ATOM 607 N ARG A 36 9.701 2.748 -27.097 1.00 0.00 N ATOM 608 CA ARG A 36 9.290 2.952 -28.480 1.00 0.00 C ATOM 609 C ARG A 36 7.770 2.920 -28.606 1.00 0.00 C ATOM 610 O ARG A 36 7.066 2.537 -27.670 1.00 0.00 O ATOM 611 CB ARG A 36 9.910 1.883 -29.382 1.00 0.00 C ATOM 612 CG ARG A 36 10.059 2.320 -30.830 1.00 0.00 C ATOM 613 CD ARG A 36 11.170 1.554 -31.531 1.00 0.00 C ATOM 614 NE ARG A 36 12.485 1.869 -30.978 1.00 0.00 N ATOM 615 CZ ARG A 36 13.614 1.319 -31.410 1.00 0.00 C ATOM 616 NH1 ARG A 36 13.590 0.433 -32.396 1.00 0.00 N ATOM 617 NH2 ARG A 36 14.772 1.657 -30.856 1.00 0.00 N ATOM 0 H ARG A 36 9.455 1.835 -26.714 1.00 0.00 H new ATOM 0 HA ARG A 36 9.643 3.934 -28.796 1.00 0.00 H new ATOM 0 HB2 ARG A 36 10.891 1.613 -28.990 1.00 0.00 H new ATOM 0 HB3 ARG A 36 9.293 0.985 -29.344 1.00 0.00 H new ATOM 0 HG2 ARG A 36 9.118 2.163 -31.357 1.00 0.00 H new ATOM 0 HG3 ARG A 36 10.271 3.388 -30.869 1.00 0.00 H new ATOM 0 HD2 ARG A 36 10.985 0.484 -31.440 1.00 0.00 H new ATOM 0 HD3 ARG A 36 11.158 1.790 -32.595 1.00 0.00 H new ATOM 0 HE ARG A 36 12.539 2.548 -30.219 1.00 0.00 H new ATOM 0 HH11 ARG A 36 12.702 0.172 -32.825 1.00 0.00 H new ATOM 0 HH12 ARG A 36 14.459 0.013 -32.725 1.00 0.00 H new ATOM 0 HH21 ARG A 36 14.795 2.339 -30.098 1.00 0.00 H new ATOM 0 HH22 ARG A 36 15.639 1.234 -31.188 1.00 0.00 H new ATOM 631 N LEU A 37 7.269 3.324 -29.768 1.00 0.00 N ATOM 632 CA LEU A 37 5.831 3.342 -30.017 1.00 0.00 C ATOM 633 C LEU A 37 5.518 2.874 -31.434 1.00 0.00 C ATOM 634 O LEU A 37 6.157 3.302 -32.395 1.00 0.00 O ATOM 635 CB LEU A 37 5.273 4.750 -29.798 1.00 0.00 C ATOM 636 CG LEU A 37 3.882 5.017 -30.374 1.00 0.00 C ATOM 637 CD1 LEU A 37 2.842 4.152 -29.679 1.00 0.00 C ATOM 638 CD2 LEU A 37 3.525 6.491 -30.243 1.00 0.00 C ATOM 0 H LEU A 37 7.837 3.644 -30.553 1.00 0.00 H new ATOM 0 HA LEU A 37 5.357 2.656 -29.315 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.244 4.945 -28.726 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.969 5.467 -30.234 1.00 0.00 H new ATOM 0 HG LEU A 37 3.892 4.758 -31.433 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.858 4.355 -30.102 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.088 3.100 -29.823 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.833 4.380 -28.613 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.532 6.663 -30.658 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.533 6.775 -29.191 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.254 7.092 -30.786 1.00 0.00 H new ATOM 650 N ALA A 38 4.530 1.993 -31.556 1.00 0.00 N ATOM 651 CA ALA A 38 4.130 1.470 -32.856 1.00 0.00 C ATOM 652 C ALA A 38 2.612 1.356 -32.959 1.00 0.00 C ATOM 653 O ALA A 38 1.896 1.600 -31.988 1.00 0.00 O ATOM 654 CB ALA A 38 4.780 0.116 -33.103 1.00 0.00 C ATOM 0 H ALA A 38 3.992 1.627 -30.770 1.00 0.00 H new ATOM 0 HA ALA A 38 4.469 2.169 -33.621 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.472 -0.263 -34.078 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.864 0.224 -33.081 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.469 -0.584 -32.327 1.00 0.00 H new ATOM 660 N GLU A 39 2.129 0.985 -34.140 1.00 0.00 N ATOM 661 CA GLU A 39 0.696 0.842 -34.368 1.00 0.00 C ATOM 662 C GLU A 39 0.358 -0.572 -34.832 1.00 0.00 C ATOM 663 O GLU A 39 1.227 -1.306 -35.305 1.00 0.00 O ATOM 664 CB GLU A 39 0.218 1.859 -35.406 1.00 0.00 C ATOM 665 CG GLU A 39 -1.233 2.273 -35.229 1.00 0.00 C ATOM 666 CD GLU A 39 -1.686 3.273 -36.275 1.00 0.00 C ATOM 667 OE1 GLU A 39 -0.815 3.878 -36.933 1.00 0.00 O ATOM 668 OE2 GLU A 39 -2.912 3.450 -36.435 1.00 0.00 O ATOM 0 H GLU A 39 2.709 0.778 -34.953 1.00 0.00 H new ATOM 0 HA GLU A 39 0.183 1.029 -33.424 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.849 2.746 -35.351 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.348 1.437 -36.403 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.868 1.388 -35.278 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.365 2.705 -34.237 1.00 0.00 H new ATOM 675 N ILE A 40 -0.909 -0.947 -34.693 1.00 0.00 N ATOM 676 CA ILE A 40 -1.362 -2.272 -35.098 1.00 0.00 C ATOM 677 C ILE A 40 -2.051 -2.226 -36.457 1.00 0.00 C ATOM 678 O ILE A 40 -3.010 -1.479 -36.654 1.00 0.00 O ATOM 679 CB ILE A 40 -2.331 -2.876 -34.064 1.00 0.00 C ATOM 680 CG1 ILE A 40 -1.667 -2.941 -32.687 1.00 0.00 C ATOM 681 CG2 ILE A 40 -2.783 -4.259 -34.507 1.00 0.00 C ATOM 682 CD1 ILE A 40 -0.436 -3.821 -32.651 1.00 0.00 C ATOM 0 H ILE A 40 -1.640 -0.352 -34.303 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.475 -2.902 -35.164 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.209 -2.234 -33.992 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.392 -1.933 -32.377 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.390 -3.312 -31.961 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.467 -4.673 -33.766 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.291 -4.185 -35.469 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.915 -4.912 -34.604 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.017 -3.820 -31.645 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -0.708 -4.839 -32.930 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.305 -3.438 -33.353 1.00 0.00 H new ATOM 694 N LEU A 41 -1.557 -3.030 -37.392 1.00 0.00 N ATOM 695 CA LEU A 41 -2.126 -3.083 -38.734 1.00 0.00 C ATOM 696 C LEU A 41 -3.046 -4.289 -38.888 1.00 0.00 C ATOM 697 O LEU A 41 -4.261 -4.143 -39.021 1.00 0.00 O ATOM 698 CB LEU A 41 -1.011 -3.141 -39.780 1.00 0.00 C ATOM 699 CG LEU A 41 -0.101 -1.915 -39.860 1.00 0.00 C ATOM 700 CD1 LEU A 41 1.013 -2.142 -40.870 1.00 0.00 C ATOM 701 CD2 LEU A 41 -0.907 -0.676 -40.222 1.00 0.00 C ATOM 0 H LEU A 41 -0.764 -3.654 -37.246 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.714 -2.178 -38.888 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.393 -4.015 -39.574 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.466 -3.295 -40.758 1.00 0.00 H new ATOM 0 HG LEU A 41 0.351 -1.757 -38.881 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.650 -1.259 -40.913 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.608 -3.004 -40.568 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.581 -2.326 -41.854 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.243 0.187 -40.275 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.387 -0.824 -41.189 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.669 -0.502 -39.462 1.00 0.00 H new ATOM 713 N SER A 42 -2.459 -5.482 -38.867 1.00 0.00 N ATOM 714 CA SER A 42 -3.226 -6.714 -39.005 1.00 0.00 C ATOM 715 C SER A 42 -2.985 -7.641 -37.818 1.00 0.00 C ATOM 716 O SER A 42 -2.081 -7.413 -37.012 1.00 0.00 O ATOM 717 CB SER A 42 -2.855 -7.427 -40.307 1.00 0.00 C ATOM 718 OG SER A 42 -3.601 -8.622 -40.465 1.00 0.00 O ATOM 0 H SER A 42 -1.455 -5.621 -38.756 1.00 0.00 H new ATOM 0 HA SER A 42 -4.284 -6.453 -39.030 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.039 -6.765 -41.153 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.790 -7.657 -40.308 1.00 0.00 H new ATOM 0 HG SER A 42 -3.347 -9.058 -41.305 1.00 0.00 H new ATOM 724 N ILE A 43 -3.798 -8.687 -37.717 1.00 0.00 N ATOM 725 CA ILE A 43 -3.673 -9.649 -36.629 1.00 0.00 C ATOM 726 C ILE A 43 -3.880 -11.074 -37.129 1.00 0.00 C ATOM 727 O ILE A 43 -4.831 -11.355 -37.857 1.00 0.00 O ATOM 728 CB ILE A 43 -4.682 -9.360 -35.502 1.00 0.00 C ATOM 729 CG1 ILE A 43 -4.509 -7.930 -34.987 1.00 0.00 C ATOM 730 CG2 ILE A 43 -4.513 -10.361 -34.369 1.00 0.00 C ATOM 731 CD1 ILE A 43 -5.493 -7.555 -33.901 1.00 0.00 C ATOM 0 H ILE A 43 -4.550 -8.890 -38.375 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.662 -9.548 -36.234 1.00 0.00 H new ATOM 0 HB ILE A 43 -5.690 -9.462 -35.903 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -3.495 -7.810 -34.604 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.619 -7.237 -35.821 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -5.233 -10.143 -33.580 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -4.682 -11.370 -34.746 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -3.502 -10.289 -33.967 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -5.311 -6.528 -33.584 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.509 -7.642 -34.285 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.368 -8.225 -33.050 1.00 0.00 H new ATOM 743 N ASN A 44 -2.984 -11.972 -36.731 1.00 0.00 N ATOM 744 CA ASN A 44 -3.070 -13.370 -37.138 1.00 0.00 C ATOM 745 C ASN A 44 -3.410 -14.263 -35.949 1.00 0.00 C ATOM 746 O ASN A 44 -2.765 -14.194 -34.902 1.00 0.00 O ATOM 747 CB ASN A 44 -1.751 -13.821 -37.769 1.00 0.00 C ATOM 748 CG ASN A 44 -1.824 -15.233 -38.315 1.00 0.00 C ATOM 749 OD1 ASN A 44 -0.951 -16.060 -38.050 1.00 0.00 O ATOM 750 ND2 ASN A 44 -2.870 -15.517 -39.083 1.00 0.00 N ATOM 0 H ASN A 44 -2.191 -11.756 -36.127 1.00 0.00 H new ATOM 0 HA ASN A 44 -3.867 -13.459 -37.876 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -1.484 -13.137 -38.574 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.957 -13.763 -37.025 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -2.973 -16.451 -39.479 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -3.570 -14.801 -39.277 1.00 0.00 H new ATOM 757 N THR A 45 -4.427 -15.102 -36.117 1.00 0.00 N ATOM 758 CA THR A 45 -4.853 -16.008 -35.059 1.00 0.00 C ATOM 759 C THR A 45 -4.634 -17.463 -35.459 1.00 0.00 C ATOM 760 O THR A 45 -5.471 -18.324 -35.189 1.00 0.00 O ATOM 761 CB THR A 45 -6.339 -15.803 -34.708 1.00 0.00 C ATOM 762 OG1 THR A 45 -7.127 -15.788 -35.904 1.00 0.00 O ATOM 763 CG2 THR A 45 -6.541 -14.502 -33.946 1.00 0.00 C ATOM 0 H THR A 45 -4.971 -15.173 -36.977 1.00 0.00 H new ATOM 0 HA THR A 45 -4.245 -15.779 -34.184 1.00 0.00 H new ATOM 0 HB THR A 45 -6.657 -16.630 -34.074 1.00 0.00 H new ATOM 0 HG1 THR A 45 -8.070 -15.659 -35.673 1.00 0.00 H new ATOM 0 HG21 THR A 45 -7.598 -14.379 -33.709 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.963 -14.528 -33.022 1.00 0.00 H new ATOM 0 HG23 THR A 45 -6.207 -13.665 -34.560 1.00 0.00 H new ATOM 771 N ARG A 46 -3.502 -17.730 -36.103 1.00 0.00 N ATOM 772 CA ARG A 46 -3.173 -19.082 -36.540 1.00 0.00 C ATOM 773 C ARG A 46 -2.244 -19.765 -35.541 1.00 0.00 C ATOM 774 O ARG A 46 -2.232 -20.991 -35.427 1.00 0.00 O ATOM 775 CB ARG A 46 -2.517 -19.048 -37.922 1.00 0.00 C ATOM 776 CG ARG A 46 -3.209 -19.932 -38.946 1.00 0.00 C ATOM 777 CD ARG A 46 -2.344 -20.136 -40.180 1.00 0.00 C ATOM 778 NE ARG A 46 -3.089 -20.754 -41.274 1.00 0.00 N ATOM 779 CZ ARG A 46 -2.512 -21.349 -42.312 1.00 0.00 C ATOM 780 NH1 ARG A 46 -1.190 -21.407 -42.397 1.00 0.00 N ATOM 781 NH2 ARG A 46 -3.257 -21.888 -43.268 1.00 0.00 N ATOM 0 H ARG A 46 -2.798 -17.029 -36.333 1.00 0.00 H new ATOM 0 HA ARG A 46 -4.099 -19.654 -36.598 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -2.510 -18.021 -38.287 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -1.477 -19.360 -37.829 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -3.439 -20.899 -38.498 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -4.158 -19.481 -39.236 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -1.948 -19.175 -40.508 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -1.489 -20.762 -39.924 1.00 0.00 H new ATOM 0 HE ARG A 46 -4.108 -20.727 -41.239 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -0.613 -20.994 -41.664 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -0.750 -21.865 -43.195 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -4.274 -21.846 -43.207 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -2.813 -22.345 -44.065 1.00 0.00 H new ATOM 795 N LYS A 47 -1.467 -18.965 -34.820 1.00 0.00 N ATOM 796 CA LYS A 47 -0.535 -19.491 -33.830 1.00 0.00 C ATOM 797 C LYS A 47 -1.036 -19.223 -32.415 1.00 0.00 C ATOM 798 O LYS A 47 -2.025 -18.518 -32.219 1.00 0.00 O ATOM 799 CB LYS A 47 0.849 -18.865 -34.019 1.00 0.00 C ATOM 800 CG LYS A 47 1.572 -19.354 -35.263 1.00 0.00 C ATOM 801 CD LYS A 47 1.897 -20.835 -35.173 1.00 0.00 C ATOM 802 CE LYS A 47 2.812 -21.275 -36.306 1.00 0.00 C ATOM 803 NZ LYS A 47 4.135 -20.595 -36.246 1.00 0.00 N ATOM 0 H LYS A 47 -1.464 -17.948 -34.903 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.462 -20.569 -33.973 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.744 -17.781 -34.072 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.460 -19.084 -33.144 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.953 -19.169 -36.141 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.493 -18.786 -35.397 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.374 -21.046 -34.216 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.974 -21.414 -35.204 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.956 -22.354 -36.258 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.336 -21.059 -37.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.831 -21.140 -36.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.052 -19.638 -36.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.448 -20.531 -35.256 1.00 0.00 H new ATOM 817 N ALA A 48 -0.346 -19.790 -31.430 1.00 0.00 N ATOM 818 CA ALA A 48 -0.719 -19.609 -30.033 1.00 0.00 C ATOM 819 C ALA A 48 0.512 -19.399 -29.158 1.00 0.00 C ATOM 820 O ALA A 48 1.331 -20.299 -28.970 1.00 0.00 O ATOM 821 CB ALA A 48 -1.520 -20.805 -29.541 1.00 0.00 C ATOM 0 H ALA A 48 0.474 -20.379 -31.574 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.340 -18.716 -29.962 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.792 -20.656 -28.496 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.425 -20.908 -30.140 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.918 -21.709 -29.634 1.00 0.00 H new ATOM 827 N PRO A 49 0.650 -18.182 -28.610 1.00 0.00 N ATOM 828 CA PRO A 49 -0.318 -17.103 -28.827 1.00 0.00 C ATOM 829 C PRO A 49 -0.282 -16.571 -30.256 1.00 0.00 C ATOM 830 O PRO A 49 0.628 -16.865 -31.031 1.00 0.00 O ATOM 831 CB PRO A 49 0.131 -16.021 -27.843 1.00 0.00 C ATOM 832 CG PRO A 49 1.584 -16.277 -27.635 1.00 0.00 C ATOM 833 CD PRO A 49 1.760 -17.767 -27.737 1.00 0.00 C ATOM 0 HA PRO A 49 -1.344 -17.439 -28.674 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.041 -15.023 -28.246 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.421 -16.085 -26.905 1.00 0.00 H new ATOM 0 HG2 PRO A 49 2.183 -15.761 -28.386 1.00 0.00 H new ATOM 0 HG3 PRO A 49 1.909 -15.911 -26.661 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.728 -18.029 -28.165 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.703 -18.246 -26.760 1.00 0.00 H new ATOM 841 N PRO A 50 -1.295 -15.768 -30.615 1.00 0.00 N ATOM 842 CA PRO A 50 -1.402 -15.178 -31.952 1.00 0.00 C ATOM 843 C PRO A 50 -0.340 -14.112 -32.202 1.00 0.00 C ATOM 844 O PRO A 50 0.337 -13.666 -31.275 1.00 0.00 O ATOM 845 CB PRO A 50 -2.798 -14.551 -31.953 1.00 0.00 C ATOM 846 CG PRO A 50 -3.093 -14.280 -30.518 1.00 0.00 C ATOM 847 CD PRO A 50 -2.415 -15.375 -29.742 1.00 0.00 C ATOM 0 HA PRO A 50 -1.252 -15.919 -32.737 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -2.820 -13.634 -32.542 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -3.535 -15.226 -32.388 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -2.718 -13.301 -30.221 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -4.167 -14.279 -30.334 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -2.064 -15.022 -28.772 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -3.089 -16.210 -29.553 1.00 0.00 H new ATOM 855 N LYS A 51 -0.199 -13.707 -33.459 1.00 0.00 N ATOM 856 CA LYS A 51 0.780 -12.692 -33.831 1.00 0.00 C ATOM 857 C LYS A 51 0.095 -11.367 -34.149 1.00 0.00 C ATOM 858 O LYS A 51 -1.125 -11.308 -34.303 1.00 0.00 O ATOM 859 CB LYS A 51 1.596 -13.159 -35.039 1.00 0.00 C ATOM 860 CG LYS A 51 2.634 -14.215 -34.700 1.00 0.00 C ATOM 861 CD LYS A 51 3.570 -14.472 -35.869 1.00 0.00 C ATOM 862 CE LYS A 51 2.814 -14.978 -37.088 1.00 0.00 C ATOM 863 NZ LYS A 51 3.737 -15.378 -38.186 1.00 0.00 N ATOM 0 H LYS A 51 -0.751 -14.066 -34.238 1.00 0.00 H new ATOM 0 HA LYS A 51 1.450 -12.541 -32.984 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.917 -13.557 -35.793 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.097 -12.299 -35.483 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.212 -13.893 -33.834 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.133 -15.143 -34.423 1.00 0.00 H new ATOM 0 HD2 LYS A 51 4.098 -13.553 -36.123 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.325 -15.203 -35.578 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.196 -15.830 -36.804 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.139 -14.200 -37.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.184 -15.717 -38.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.309 -14.559 -38.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.364 -16.138 -37.853 1.00 0.00 H new ATOM 877 N PHE A 52 0.888 -10.305 -34.248 1.00 0.00 N ATOM 878 CA PHE A 52 0.358 -8.980 -34.548 1.00 0.00 C ATOM 879 C PHE A 52 1.345 -8.177 -35.391 1.00 0.00 C ATOM 880 O PHE A 52 2.549 -8.184 -35.131 1.00 0.00 O ATOM 881 CB PHE A 52 0.045 -8.227 -33.254 1.00 0.00 C ATOM 882 CG PHE A 52 -0.701 -9.053 -32.245 1.00 0.00 C ATOM 883 CD1 PHE A 52 -0.018 -9.876 -31.364 1.00 0.00 C ATOM 884 CD2 PHE A 52 -2.084 -9.007 -32.178 1.00 0.00 C ATOM 885 CE1 PHE A 52 -0.702 -10.638 -30.435 1.00 0.00 C ATOM 886 CE2 PHE A 52 -2.773 -9.766 -31.251 1.00 0.00 C ATOM 887 CZ PHE A 52 -2.081 -10.582 -30.378 1.00 0.00 C ATOM 0 H PHE A 52 1.900 -10.336 -34.125 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.562 -9.105 -35.119 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.978 -7.881 -32.810 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.543 -7.341 -33.492 1.00 0.00 H new ATOM 0 HD1 PHE A 52 1.060 -9.923 -31.403 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.630 -8.370 -32.858 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.159 -11.277 -29.754 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.851 -9.721 -31.209 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.617 -11.175 -29.652 1.00 0.00 H new ATOM 897 N TYR A 53 0.827 -7.488 -36.401 1.00 0.00 N ATOM 898 CA TYR A 53 1.662 -6.682 -37.284 1.00 0.00 C ATOM 899 C TYR A 53 1.839 -5.272 -36.730 1.00 0.00 C ATOM 900 O TYR A 53 0.869 -4.532 -36.564 1.00 0.00 O ATOM 901 CB TYR A 53 1.049 -6.620 -38.684 1.00 0.00 C ATOM 902 CG TYR A 53 2.071 -6.673 -39.796 1.00 0.00 C ATOM 903 CD1 TYR A 53 3.265 -5.968 -39.704 1.00 0.00 C ATOM 904 CD2 TYR A 53 1.844 -7.429 -40.939 1.00 0.00 C ATOM 905 CE1 TYR A 53 4.201 -6.013 -40.718 1.00 0.00 C ATOM 906 CE2 TYR A 53 2.776 -7.482 -41.958 1.00 0.00 C ATOM 907 CZ TYR A 53 3.952 -6.771 -41.843 1.00 0.00 C ATOM 908 OH TYR A 53 4.883 -6.820 -42.855 1.00 0.00 O ATOM 0 H TYR A 53 -0.167 -7.471 -36.629 1.00 0.00 H new ATOM 0 HA TYR A 53 2.643 -7.154 -37.345 1.00 0.00 H new ATOM 0 HB2 TYR A 53 0.352 -7.449 -38.803 1.00 0.00 H new ATOM 0 HB3 TYR A 53 0.470 -5.701 -38.778 1.00 0.00 H new ATOM 0 HD1 TYR A 53 3.464 -5.375 -38.824 1.00 0.00 H new ATOM 0 HD2 TYR A 53 0.923 -7.985 -41.033 1.00 0.00 H new ATOM 0 HE1 TYR A 53 5.123 -5.458 -40.631 1.00 0.00 H new ATOM 0 HE2 TYR A 53 2.585 -8.077 -42.839 1.00 0.00 H new ATOM 0 HH TYR A 53 4.554 -7.399 -43.574 1.00 0.00 H new ATOM 918 N VAL A 54 3.085 -4.905 -36.448 1.00 0.00 N ATOM 919 CA VAL A 54 3.391 -3.583 -35.915 1.00 0.00 C ATOM 920 C VAL A 54 3.782 -2.619 -37.029 1.00 0.00 C ATOM 921 O VAL A 54 4.305 -3.030 -38.065 1.00 0.00 O ATOM 922 CB VAL A 54 4.530 -3.645 -34.880 1.00 0.00 C ATOM 923 CG1 VAL A 54 4.067 -4.356 -33.618 1.00 0.00 C ATOM 924 CG2 VAL A 54 5.750 -4.333 -35.472 1.00 0.00 C ATOM 0 H VAL A 54 3.899 -5.505 -36.580 1.00 0.00 H new ATOM 0 HA VAL A 54 2.486 -3.221 -35.426 1.00 0.00 H new ATOM 0 HB VAL A 54 4.810 -2.626 -34.612 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.885 -4.390 -32.899 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.225 -3.816 -33.185 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.759 -5.372 -33.865 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.545 -4.368 -34.727 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.487 -5.348 -35.770 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.094 -3.777 -36.344 1.00 0.00 H new ATOM 934 N HIS A 55 3.526 -1.333 -36.808 1.00 0.00 N ATOM 935 CA HIS A 55 3.854 -0.308 -37.793 1.00 0.00 C ATOM 936 C HIS A 55 4.514 0.895 -37.127 1.00 0.00 C ATOM 937 O HIS A 55 4.361 1.113 -35.925 1.00 0.00 O ATOM 938 CB HIS A 55 2.594 0.134 -38.537 1.00 0.00 C ATOM 939 CG HIS A 55 2.871 1.029 -39.706 1.00 0.00 C ATOM 940 ND1 HIS A 55 3.657 0.651 -40.774 1.00 0.00 N ATOM 941 CD2 HIS A 55 2.462 2.292 -39.971 1.00 0.00 C ATOM 942 CE1 HIS A 55 3.720 1.642 -41.645 1.00 0.00 C ATOM 943 NE2 HIS A 55 3.002 2.650 -41.181 1.00 0.00 N ATOM 0 H HIS A 55 3.093 -0.976 -35.956 1.00 0.00 H new ATOM 0 HA HIS A 55 4.558 -0.736 -38.507 1.00 0.00 H new ATOM 0 HB2 HIS A 55 2.059 -0.750 -38.885 1.00 0.00 H new ATOM 0 HB3 HIS A 55 1.934 0.653 -37.841 1.00 0.00 H new ATOM 0 HD1 HIS A 55 4.118 -0.253 -40.876 1.00 0.00 H new ATOM 0 HD2 HIS A 55 1.828 2.904 -39.346 1.00 0.00 H new ATOM 0 HE1 HIS A 55 4.265 1.631 -42.577 1.00 0.00 H new ATOM 951 N TYR A 56 5.249 1.672 -37.914 1.00 0.00 N ATOM 952 CA TYR A 56 5.936 2.851 -37.400 1.00 0.00 C ATOM 953 C TYR A 56 5.150 4.120 -37.717 1.00 0.00 C ATOM 954 O TYR A 56 4.075 4.066 -38.314 1.00 0.00 O ATOM 955 CB TYR A 56 7.342 2.947 -37.993 1.00 0.00 C ATOM 956 CG TYR A 56 7.360 3.378 -39.442 1.00 0.00 C ATOM 957 CD1 TYR A 56 7.031 2.488 -40.457 1.00 0.00 C ATOM 958 CD2 TYR A 56 7.707 4.676 -39.797 1.00 0.00 C ATOM 959 CE1 TYR A 56 7.047 2.877 -41.782 1.00 0.00 C ATOM 960 CE2 TYR A 56 7.724 5.075 -41.120 1.00 0.00 C ATOM 961 CZ TYR A 56 7.393 4.171 -42.108 1.00 0.00 C ATOM 962 OH TYR A 56 7.410 4.564 -43.427 1.00 0.00 O ATOM 0 H TYR A 56 5.385 1.507 -38.911 1.00 0.00 H new ATOM 0 HA TYR A 56 6.012 2.753 -36.317 1.00 0.00 H new ATOM 0 HB2 TYR A 56 7.928 3.654 -37.405 1.00 0.00 H new ATOM 0 HB3 TYR A 56 7.831 1.977 -37.905 1.00 0.00 H new ATOM 0 HD1 TYR A 56 6.758 1.474 -40.205 1.00 0.00 H new ATOM 0 HD2 TYR A 56 7.968 5.385 -39.026 1.00 0.00 H new ATOM 0 HE1 TYR A 56 6.790 2.172 -42.558 1.00 0.00 H new ATOM 0 HE2 TYR A 56 7.995 6.088 -41.379 1.00 0.00 H new ATOM 0 HH TYR A 56 7.674 5.506 -43.484 1.00 0.00 H new ATOM 972 N VAL A 57 5.696 5.262 -37.311 1.00 0.00 N ATOM 973 CA VAL A 57 5.049 6.546 -37.552 1.00 0.00 C ATOM 974 C VAL A 57 6.011 7.533 -38.204 1.00 0.00 C ATOM 975 O VAL A 57 5.627 8.299 -39.087 1.00 0.00 O ATOM 976 CB VAL A 57 4.511 7.158 -36.245 1.00 0.00 C ATOM 977 CG1 VAL A 57 3.263 6.419 -35.784 1.00 0.00 C ATOM 978 CG2 VAL A 57 5.583 7.136 -35.166 1.00 0.00 C ATOM 0 H VAL A 57 6.584 5.324 -36.814 1.00 0.00 H new ATOM 0 HA VAL A 57 4.214 6.357 -38.227 1.00 0.00 H new ATOM 0 HB VAL A 57 4.240 8.197 -36.434 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.897 6.865 -34.859 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.493 6.492 -36.552 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.504 5.370 -35.610 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.186 7.572 -34.249 1.00 0.00 H new ATOM 0 HG22 VAL A 57 5.887 6.107 -34.976 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.446 7.713 -35.498 1.00 0.00 H new ATOM 988 N ASN A 58 7.264 7.508 -37.762 1.00 0.00 N ATOM 989 CA ASN A 58 8.283 8.401 -38.302 1.00 0.00 C ATOM 990 C ASN A 58 9.560 7.634 -38.630 1.00 0.00 C ATOM 991 O ASN A 58 9.905 7.453 -39.798 1.00 0.00 O ATOM 992 CB ASN A 58 8.590 9.521 -37.305 1.00 0.00 C ATOM 993 CG ASN A 58 9.854 10.279 -37.659 1.00 0.00 C ATOM 994 OD1 ASN A 58 10.784 10.367 -36.856 1.00 0.00 O ATOM 995 ND2 ASN A 58 9.895 10.832 -38.866 1.00 0.00 N ATOM 0 H ASN A 58 7.598 6.879 -37.032 1.00 0.00 H new ATOM 0 HA ASN A 58 7.896 8.838 -39.222 1.00 0.00 H new ATOM 0 HB2 ASN A 58 7.750 10.215 -37.273 1.00 0.00 H new ATOM 0 HB3 ASN A 58 8.692 9.097 -36.306 1.00 0.00 H new ATOM 0 HD21 ASN A 58 10.720 11.355 -39.160 1.00 0.00 H new ATOM 0 HD22 ASN A 58 9.101 10.734 -39.499 1.00 0.00 H new ATOM 1002 N TYR A 59 10.257 7.184 -37.593 1.00 0.00 N ATOM 1003 CA TYR A 59 11.497 6.438 -37.770 1.00 0.00 C ATOM 1004 C TYR A 59 11.301 4.965 -37.424 1.00 0.00 C ATOM 1005 O TYR A 59 10.231 4.560 -36.971 1.00 0.00 O ATOM 1006 CB TYR A 59 12.605 7.034 -36.901 1.00 0.00 C ATOM 1007 CG TYR A 59 13.983 6.917 -37.511 1.00 0.00 C ATOM 1008 CD1 TYR A 59 14.240 7.393 -38.791 1.00 0.00 C ATOM 1009 CD2 TYR A 59 15.028 6.329 -36.809 1.00 0.00 C ATOM 1010 CE1 TYR A 59 15.498 7.288 -39.354 1.00 0.00 C ATOM 1011 CE2 TYR A 59 16.289 6.221 -37.363 1.00 0.00 C ATOM 1012 CZ TYR A 59 16.519 6.701 -38.635 1.00 0.00 C ATOM 1013 OH TYR A 59 17.773 6.593 -39.191 1.00 0.00 O ATOM 0 H TYR A 59 9.984 7.323 -36.620 1.00 0.00 H new ATOM 0 HA TYR A 59 11.788 6.511 -38.818 1.00 0.00 H new ATOM 0 HB2 TYR A 59 12.386 8.086 -36.719 1.00 0.00 H new ATOM 0 HB3 TYR A 59 12.603 6.535 -35.932 1.00 0.00 H new ATOM 0 HD1 TYR A 59 13.443 7.853 -39.356 1.00 0.00 H new ATOM 0 HD2 TYR A 59 14.851 5.950 -35.813 1.00 0.00 H new ATOM 0 HE1 TYR A 59 15.681 7.663 -40.350 1.00 0.00 H new ATOM 0 HE2 TYR A 59 17.091 5.763 -36.803 1.00 0.00 H new ATOM 0 HH TYR A 59 18.377 6.157 -38.554 1.00 0.00 H new ATOM 1023 N ASN A 60 12.343 4.169 -37.642 1.00 0.00 N ATOM 1024 CA ASN A 60 12.286 2.741 -37.353 1.00 0.00 C ATOM 1025 C ASN A 60 11.244 2.050 -38.227 1.00 0.00 C ATOM 1026 O ASN A 60 10.290 1.456 -37.723 1.00 0.00 O ATOM 1027 CB ASN A 60 11.963 2.510 -35.875 1.00 0.00 C ATOM 1028 CG ASN A 60 12.599 3.551 -34.975 1.00 0.00 C ATOM 1029 OD1 ASN A 60 13.821 3.603 -34.834 1.00 0.00 O ATOM 1030 ND2 ASN A 60 11.771 4.388 -34.360 1.00 0.00 N ATOM 0 H ASN A 60 13.236 4.488 -38.017 1.00 0.00 H new ATOM 0 HA ASN A 60 13.263 2.312 -37.575 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.882 2.525 -35.736 1.00 0.00 H new ATOM 0 HB3 ASN A 60 12.309 1.519 -35.581 1.00 0.00 H new ATOM 0 HD21 ASN A 60 12.142 5.110 -33.742 1.00 0.00 H new ATOM 0 HD22 ASN A 60 10.765 4.309 -34.506 1.00 0.00 H new ATOM 1037 N LYS A 61 11.433 2.131 -39.539 1.00 0.00 N ATOM 1038 CA LYS A 61 10.511 1.512 -40.485 1.00 0.00 C ATOM 1039 C LYS A 61 10.722 0.003 -40.543 1.00 0.00 C ATOM 1040 O LYS A 61 9.792 -0.753 -40.822 1.00 0.00 O ATOM 1041 CB LYS A 61 10.696 2.117 -41.879 1.00 0.00 C ATOM 1042 CG LYS A 61 12.131 2.073 -42.376 1.00 0.00 C ATOM 1043 CD LYS A 61 12.196 2.103 -43.893 1.00 0.00 C ATOM 1044 CE LYS A 61 12.188 3.528 -44.424 1.00 0.00 C ATOM 1045 NZ LYS A 61 10.809 4.086 -44.495 1.00 0.00 N ATOM 0 H LYS A 61 12.217 2.619 -39.972 1.00 0.00 H new ATOM 0 HA LYS A 61 9.495 1.706 -40.143 1.00 0.00 H new ATOM 0 HB2 LYS A 61 10.059 1.583 -42.585 1.00 0.00 H new ATOM 0 HB3 LYS A 61 10.357 3.153 -41.864 1.00 0.00 H new ATOM 0 HG2 LYS A 61 12.684 2.920 -41.970 1.00 0.00 H new ATOM 0 HG3 LYS A 61 12.617 1.170 -42.008 1.00 0.00 H new ATOM 0 HD2 LYS A 61 13.099 1.593 -44.229 1.00 0.00 H new ATOM 0 HD3 LYS A 61 11.349 1.555 -44.305 1.00 0.00 H new ATOM 0 HE2 LYS A 61 12.802 4.159 -43.781 1.00 0.00 H new ATOM 0 HE3 LYS A 61 12.640 3.548 -45.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.778 4.847 -45.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 10.144 3.334 -44.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 10.541 4.468 -43.565 1.00 0.00 H new ATOM 1059 N ARG A 62 11.950 -0.429 -40.275 1.00 0.00 N ATOM 1060 CA ARG A 62 12.283 -1.849 -40.296 1.00 0.00 C ATOM 1061 C ARG A 62 11.530 -2.599 -39.202 1.00 0.00 C ATOM 1062 O ARG A 62 11.330 -3.812 -39.290 1.00 0.00 O ATOM 1063 CB ARG A 62 13.790 -2.044 -40.120 1.00 0.00 C ATOM 1064 CG ARG A 62 14.274 -1.796 -38.701 1.00 0.00 C ATOM 1065 CD ARG A 62 15.687 -1.234 -38.685 1.00 0.00 C ATOM 1066 NE ARG A 62 16.671 -2.215 -39.137 1.00 0.00 N ATOM 1067 CZ ARG A 62 17.932 -1.911 -39.425 1.00 0.00 C ATOM 1068 NH1 ARG A 62 18.360 -0.662 -39.307 1.00 0.00 N ATOM 1069 NH2 ARG A 62 18.767 -2.859 -39.831 1.00 0.00 N ATOM 0 H ARG A 62 12.731 0.184 -40.041 1.00 0.00 H new ATOM 0 HA ARG A 62 11.983 -2.253 -41.263 1.00 0.00 H new ATOM 0 HB2 ARG A 62 14.053 -3.061 -40.412 1.00 0.00 H new ATOM 0 HB3 ARG A 62 14.316 -1.372 -40.797 1.00 0.00 H new ATOM 0 HG2 ARG A 62 13.599 -1.101 -38.201 1.00 0.00 H new ATOM 0 HG3 ARG A 62 14.246 -2.729 -38.137 1.00 0.00 H new ATOM 0 HD2 ARG A 62 15.734 -0.352 -39.324 1.00 0.00 H new ATOM 0 HD3 ARG A 62 15.937 -0.909 -37.675 1.00 0.00 H new ATOM 0 HE ARG A 62 16.374 -3.186 -39.237 1.00 0.00 H new ATOM 0 HH11 ARG A 62 17.721 0.069 -38.994 1.00 0.00 H new ATOM 0 HH12 ARG A 62 19.329 -0.432 -39.529 1.00 0.00 H new ATOM 0 HH21 ARG A 62 18.441 -3.821 -39.922 1.00 0.00 H new ATOM 0 HH22 ARG A 62 19.735 -2.626 -40.052 1.00 0.00 H new ATOM 1083 N LEU A 63 11.115 -1.872 -38.170 1.00 0.00 N ATOM 1084 CA LEU A 63 10.385 -2.469 -37.057 1.00 0.00 C ATOM 1085 C LEU A 63 8.978 -2.874 -37.485 1.00 0.00 C ATOM 1086 O LEU A 63 8.272 -3.568 -36.752 1.00 0.00 O ATOM 1087 CB LEU A 63 10.312 -1.488 -35.886 1.00 0.00 C ATOM 1088 CG LEU A 63 11.516 -1.477 -34.944 1.00 0.00 C ATOM 1089 CD1 LEU A 63 11.661 -2.820 -34.246 1.00 0.00 C ATOM 1090 CD2 LEU A 63 12.786 -1.130 -35.707 1.00 0.00 C ATOM 0 H LEU A 63 11.272 -0.868 -38.081 1.00 0.00 H new ATOM 0 HA LEU A 63 10.920 -3.364 -36.740 1.00 0.00 H new ATOM 0 HB2 LEU A 63 10.181 -0.483 -36.287 1.00 0.00 H new ATOM 0 HB3 LEU A 63 9.421 -1.717 -35.302 1.00 0.00 H new ATOM 0 HG LEU A 63 11.352 -0.713 -34.184 1.00 0.00 H new ATOM 0 HD11 LEU A 63 12.523 -2.793 -33.580 1.00 0.00 H new ATOM 0 HD12 LEU A 63 10.761 -3.028 -33.667 1.00 0.00 H new ATOM 0 HD13 LEU A 63 11.802 -3.604 -34.990 1.00 0.00 H new ATOM 0 HD21 LEU A 63 13.633 -1.127 -35.021 1.00 0.00 H new ATOM 0 HD22 LEU A 63 12.955 -1.871 -36.489 1.00 0.00 H new ATOM 0 HD23 LEU A 63 12.681 -0.144 -36.159 1.00 0.00 H new ATOM 1102 N ASP A 64 8.578 -2.440 -38.675 1.00 0.00 N ATOM 1103 CA ASP A 64 7.257 -2.760 -39.201 1.00 0.00 C ATOM 1104 C ASP A 64 7.192 -4.214 -39.659 1.00 0.00 C ATOM 1105 O ASP A 64 7.202 -4.498 -40.856 1.00 0.00 O ATOM 1106 CB ASP A 64 6.909 -1.830 -40.365 1.00 0.00 C ATOM 1107 CG ASP A 64 5.605 -2.210 -41.039 1.00 0.00 C ATOM 1108 OD1 ASP A 64 4.536 -1.989 -40.432 1.00 0.00 O ATOM 1109 OD2 ASP A 64 5.654 -2.726 -42.175 1.00 0.00 O ATOM 0 H ASP A 64 9.150 -1.865 -39.294 1.00 0.00 H new ATOM 0 HA ASP A 64 6.530 -2.617 -38.401 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.841 -0.805 -40.000 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.715 -1.854 -41.099 1.00 0.00 H new ATOM 1114 N GLU A 65 7.127 -5.130 -38.698 1.00 0.00 N ATOM 1115 CA GLU A 65 7.064 -6.554 -39.003 1.00 0.00 C ATOM 1116 C GLU A 65 6.096 -7.269 -38.065 1.00 0.00 C ATOM 1117 O GLU A 65 5.356 -6.631 -37.316 1.00 0.00 O ATOM 1118 CB GLU A 65 8.454 -7.184 -38.896 1.00 0.00 C ATOM 1119 CG GLU A 65 9.013 -7.189 -37.484 1.00 0.00 C ATOM 1120 CD GLU A 65 10.249 -8.056 -37.348 1.00 0.00 C ATOM 1121 OE1 GLU A 65 10.722 -8.580 -38.379 1.00 0.00 O ATOM 1122 OE2 GLU A 65 10.745 -8.211 -36.213 1.00 0.00 O ATOM 0 H GLU A 65 7.117 -4.911 -37.702 1.00 0.00 H new ATOM 0 HA GLU A 65 6.701 -6.664 -40.025 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.408 -8.209 -39.263 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.140 -6.643 -39.547 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.256 -6.168 -37.190 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.247 -7.545 -36.795 1.00 0.00 H new ATOM 1129 N TRP A 66 6.107 -8.596 -38.112 1.00 0.00 N ATOM 1130 CA TRP A 66 5.230 -9.398 -37.267 1.00 0.00 C ATOM 1131 C TRP A 66 5.852 -9.620 -35.893 1.00 0.00 C ATOM 1132 O TRP A 66 7.067 -9.773 -35.769 1.00 0.00 O ATOM 1133 CB TRP A 66 4.939 -10.745 -37.932 1.00 0.00 C ATOM 1134 CG TRP A 66 4.002 -10.642 -39.097 1.00 0.00 C ATOM 1135 CD1 TRP A 66 4.339 -10.441 -40.405 1.00 0.00 C ATOM 1136 CD2 TRP A 66 2.573 -10.734 -39.058 1.00 0.00 C ATOM 1137 NE1 TRP A 66 3.206 -10.402 -41.181 1.00 0.00 N ATOM 1138 CE2 TRP A 66 2.110 -10.580 -40.379 1.00 0.00 C ATOM 1139 CE3 TRP A 66 1.641 -10.933 -38.036 1.00 0.00 C ATOM 1140 CZ2 TRP A 66 0.756 -10.618 -40.702 1.00 0.00 C ATOM 1141 CZ3 TRP A 66 0.298 -10.970 -38.359 1.00 0.00 C ATOM 1142 CH2 TRP A 66 -0.135 -10.814 -39.682 1.00 0.00 C ATOM 0 H TRP A 66 6.713 -9.139 -38.726 1.00 0.00 H new ATOM 0 HA TRP A 66 4.294 -8.854 -37.138 1.00 0.00 H new ATOM 0 HB2 TRP A 66 5.877 -11.187 -38.268 1.00 0.00 H new ATOM 0 HB3 TRP A 66 4.514 -11.423 -37.192 1.00 0.00 H new ATOM 0 HD1 TRP A 66 5.348 -10.329 -40.775 1.00 0.00 H new ATOM 0 HE1 TRP A 66 3.184 -10.263 -42.191 1.00 0.00 H new ATOM 0 HE3 TRP A 66 1.964 -11.056 -37.013 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 0.421 -10.497 -41.722 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -0.431 -11.122 -37.577 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -1.192 -10.849 -39.901 1.00 0.00 H new ATOM 1153 N ILE A 67 5.012 -9.635 -34.863 1.00 0.00 N ATOM 1154 CA ILE A 67 5.480 -9.839 -33.498 1.00 0.00 C ATOM 1155 C ILE A 67 4.413 -10.517 -32.646 1.00 0.00 C ATOM 1156 O ILE A 67 3.341 -10.871 -33.139 1.00 0.00 O ATOM 1157 CB ILE A 67 5.881 -8.508 -32.836 1.00 0.00 C ATOM 1158 CG1 ILE A 67 4.692 -7.545 -32.816 1.00 0.00 C ATOM 1159 CG2 ILE A 67 7.061 -7.886 -33.567 1.00 0.00 C ATOM 1160 CD1 ILE A 67 4.590 -6.737 -31.541 1.00 0.00 C ATOM 0 H ILE A 67 4.004 -9.508 -34.948 1.00 0.00 H new ATOM 0 HA ILE A 67 6.357 -10.484 -33.558 1.00 0.00 H new ATOM 0 HB ILE A 67 6.181 -8.707 -31.807 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.772 -6.864 -33.663 1.00 0.00 H new ATOM 0 HG13 ILE A 67 3.772 -8.114 -32.951 1.00 0.00 H new ATOM 0 HG21 ILE A 67 7.332 -6.946 -33.087 1.00 0.00 H new ATOM 0 HG22 ILE A 67 7.910 -8.568 -33.534 1.00 0.00 H new ATOM 0 HG23 ILE A 67 6.787 -7.697 -34.605 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.725 -6.076 -31.597 1.00 0.00 H new ATOM 0 HD12 ILE A 67 4.478 -7.411 -30.691 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.494 -6.141 -31.415 1.00 0.00 H new ATOM 1172 N THR A 68 4.712 -10.694 -31.363 1.00 0.00 N ATOM 1173 CA THR A 68 3.778 -11.329 -30.441 1.00 0.00 C ATOM 1174 C THR A 68 3.464 -10.416 -29.261 1.00 0.00 C ATOM 1175 O THR A 68 4.119 -9.392 -29.063 1.00 0.00 O ATOM 1176 CB THR A 68 4.334 -12.664 -29.910 1.00 0.00 C ATOM 1177 OG1 THR A 68 5.595 -12.449 -29.268 1.00 0.00 O ATOM 1178 CG2 THR A 68 4.499 -13.669 -31.039 1.00 0.00 C ATOM 0 H THR A 68 5.594 -10.407 -30.939 1.00 0.00 H new ATOM 0 HA THR A 68 2.863 -11.522 -31.000 1.00 0.00 H new ATOM 0 HB THR A 68 3.623 -13.066 -29.188 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.941 -13.302 -28.932 1.00 0.00 H new ATOM 0 HG21 THR A 68 4.893 -14.604 -30.640 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.532 -13.853 -31.506 1.00 0.00 H new ATOM 0 HG23 THR A 68 5.191 -13.272 -31.782 1.00 0.00 H new ATOM 1186 N THR A 69 2.459 -10.795 -28.477 1.00 0.00 N ATOM 1187 CA THR A 69 2.058 -10.010 -27.316 1.00 0.00 C ATOM 1188 C THR A 69 3.233 -9.788 -26.371 1.00 0.00 C ATOM 1189 O THR A 69 3.285 -8.788 -25.655 1.00 0.00 O ATOM 1190 CB THR A 69 0.914 -10.694 -26.544 1.00 0.00 C ATOM 1191 OG1 THR A 69 0.396 -9.805 -25.548 1.00 0.00 O ATOM 1192 CG2 THR A 69 1.398 -11.976 -25.884 1.00 0.00 C ATOM 0 H THR A 69 1.908 -11.641 -28.625 1.00 0.00 H new ATOM 0 HA THR A 69 1.709 -9.047 -27.690 1.00 0.00 H new ATOM 0 HB THR A 69 0.125 -10.945 -27.253 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.217 -10.294 -24.960 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.573 -12.441 -25.345 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.765 -12.662 -26.647 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.203 -11.745 -25.186 1.00 0.00 H new ATOM 1200 N ASP A 70 4.174 -10.725 -26.373 1.00 0.00 N ATOM 1201 CA ASP A 70 5.350 -10.631 -25.516 1.00 0.00 C ATOM 1202 C ASP A 70 6.102 -9.327 -25.766 1.00 0.00 C ATOM 1203 O ASP A 70 6.796 -8.820 -24.885 1.00 0.00 O ATOM 1204 CB ASP A 70 6.278 -11.823 -25.754 1.00 0.00 C ATOM 1205 CG ASP A 70 7.431 -11.864 -24.771 1.00 0.00 C ATOM 1206 OD1 ASP A 70 7.338 -11.197 -23.720 1.00 0.00 O ATOM 1207 OD2 ASP A 70 8.427 -12.564 -25.052 1.00 0.00 O ATOM 0 H ASP A 70 4.145 -11.559 -26.959 1.00 0.00 H new ATOM 0 HA ASP A 70 5.015 -10.643 -24.479 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.705 -12.747 -25.676 1.00 0.00 H new ATOM 0 HB3 ASP A 70 6.671 -11.776 -26.769 1.00 0.00 H new ATOM 1212 N ARG A 71 5.958 -8.790 -26.973 1.00 0.00 N ATOM 1213 CA ARG A 71 6.625 -7.546 -27.340 1.00 0.00 C ATOM 1214 C ARG A 71 5.686 -6.356 -27.173 1.00 0.00 C ATOM 1215 O ARG A 71 6.122 -5.204 -27.170 1.00 0.00 O ATOM 1216 CB ARG A 71 7.124 -7.617 -28.785 1.00 0.00 C ATOM 1217 CG ARG A 71 8.085 -8.766 -29.041 1.00 0.00 C ATOM 1218 CD ARG A 71 9.438 -8.517 -28.392 1.00 0.00 C ATOM 1219 NE ARG A 71 9.458 -8.932 -26.992 1.00 0.00 N ATOM 1220 CZ ARG A 71 10.555 -8.940 -26.244 1.00 0.00 C ATOM 1221 NH1 ARG A 71 11.715 -8.557 -26.758 1.00 0.00 N ATOM 1222 NH2 ARG A 71 10.493 -9.331 -24.977 1.00 0.00 N ATOM 0 H ARG A 71 5.386 -9.196 -27.713 1.00 0.00 H new ATOM 0 HA ARG A 71 7.478 -7.410 -26.675 1.00 0.00 H new ATOM 0 HB2 ARG A 71 6.267 -7.715 -29.452 1.00 0.00 H new ATOM 0 HB3 ARG A 71 7.618 -6.678 -29.037 1.00 0.00 H new ATOM 0 HG2 ARG A 71 7.659 -9.691 -28.653 1.00 0.00 H new ATOM 0 HG3 ARG A 71 8.215 -8.901 -30.115 1.00 0.00 H new ATOM 0 HD2 ARG A 71 10.209 -9.058 -28.941 1.00 0.00 H new ATOM 0 HD3 ARG A 71 9.683 -7.457 -28.459 1.00 0.00 H new ATOM 0 HE ARG A 71 8.581 -9.232 -26.565 1.00 0.00 H new ATOM 0 HH11 ARG A 71 11.767 -8.255 -27.731 1.00 0.00 H new ATOM 0 HH12 ARG A 71 12.556 -8.564 -26.181 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.602 -9.626 -24.577 1.00 0.00 H new ATOM 0 HH22 ARG A 71 11.336 -9.337 -24.403 1.00 0.00 H new ATOM 1236 N ILE A 72 4.396 -6.641 -27.035 1.00 0.00 N ATOM 1237 CA ILE A 72 3.396 -5.594 -26.867 1.00 0.00 C ATOM 1238 C ILE A 72 3.007 -5.435 -25.401 1.00 0.00 C ATOM 1239 O ILE A 72 2.932 -6.413 -24.659 1.00 0.00 O ATOM 1240 CB ILE A 72 2.129 -5.888 -27.693 1.00 0.00 C ATOM 1241 CG1 ILE A 72 2.479 -6.009 -29.178 1.00 0.00 C ATOM 1242 CG2 ILE A 72 1.090 -4.798 -27.475 1.00 0.00 C ATOM 1243 CD1 ILE A 72 1.290 -6.339 -30.053 1.00 0.00 C ATOM 0 H ILE A 72 4.018 -7.589 -27.036 1.00 0.00 H new ATOM 0 HA ILE A 72 3.846 -4.668 -27.224 1.00 0.00 H new ATOM 0 HB ILE A 72 1.707 -6.836 -27.360 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.920 -5.072 -29.517 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.237 -6.782 -29.303 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.201 -5.020 -28.065 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.823 -4.755 -26.419 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.501 -3.837 -27.785 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.611 -6.409 -31.092 1.00 0.00 H new ATOM 0 HD12 ILE A 72 0.861 -7.291 -29.740 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.539 -5.554 -29.958 1.00 0.00 H new ATOM 1255 N ASN A 73 2.760 -4.195 -24.991 1.00 0.00 N ATOM 1256 CA ASN A 73 2.378 -3.908 -23.613 1.00 0.00 C ATOM 1257 C ASN A 73 0.929 -4.308 -23.356 1.00 0.00 C ATOM 1258 O ASN A 73 0.047 -3.454 -23.249 1.00 0.00 O ATOM 1259 CB ASN A 73 2.570 -2.420 -23.309 1.00 0.00 C ATOM 1260 CG ASN A 73 2.696 -2.146 -21.823 1.00 0.00 C ATOM 1261 OD1 ASN A 73 3.692 -2.507 -21.196 1.00 0.00 O ATOM 1262 ND2 ASN A 73 1.683 -1.505 -21.252 1.00 0.00 N ATOM 0 H ASN A 73 2.817 -3.373 -25.593 1.00 0.00 H new ATOM 0 HA ASN A 73 3.020 -4.493 -22.954 1.00 0.00 H new ATOM 0 HB2 ASN A 73 3.463 -2.060 -23.819 1.00 0.00 H new ATOM 0 HB3 ASN A 73 1.726 -1.858 -23.709 1.00 0.00 H new ATOM 0 HD21 ASN A 73 1.711 -1.293 -20.255 1.00 0.00 H new ATOM 0 HD22 ASN A 73 0.877 -1.225 -21.811 1.00 0.00 H new ATOM 1269 N LEU A 74 0.689 -5.611 -23.258 1.00 0.00 N ATOM 1270 CA LEU A 74 -0.654 -6.126 -23.012 1.00 0.00 C ATOM 1271 C LEU A 74 -0.778 -6.666 -21.592 1.00 0.00 C ATOM 1272 O LEU A 74 -0.783 -7.878 -21.376 1.00 0.00 O ATOM 1273 CB LEU A 74 -0.992 -7.225 -24.020 1.00 0.00 C ATOM 1274 CG LEU A 74 -2.475 -7.567 -24.169 1.00 0.00 C ATOM 1275 CD1 LEU A 74 -3.179 -6.527 -25.026 1.00 0.00 C ATOM 1276 CD2 LEU A 74 -2.645 -8.957 -24.765 1.00 0.00 C ATOM 0 H LEU A 74 1.407 -6.330 -23.345 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.360 -5.304 -23.131 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -0.609 -6.926 -24.996 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -0.458 -8.131 -23.732 1.00 0.00 H new ATOM 0 HG LEU A 74 -2.931 -7.560 -23.179 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.233 -6.787 -25.121 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.088 -5.547 -24.557 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.721 -6.500 -26.015 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.707 -9.183 -24.864 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.174 -8.992 -25.747 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.176 -9.693 -24.112 1.00 0.00 H new