USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 590 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 19 MET CE :methyl -145:sc= -0.927 (180deg=-3.39!) USER MOD Set 1.2: A 53 GLN : amide:sc= -1.02 X(o=-1.9,f=-2.2) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot 28:sc= -2.34 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -95:sc= 0.139 USER MOD Single : A 51 SER OG : rot 23:sc= 0.418 USER MOD Single : A 65 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0647) USER MOD Single : A 66 ASN : amide:sc= -1.91 X(o=-1.9,f=-1.8) USER MOD Single : A 67 ASN : amide:sc= -0.346 X(o=-0.35,f=-0.027) USER MOD Single : A 69 SER OG : rot 180:sc= 0.0356 USER MOD Single : A 74 GLN :FLIP amide:sc= -1.43 F(o=-4.2,f=-1.4) USER MOD Single : A 75 TYR OH : rot -15:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 CYS SG : rot -122:sc= -2.12 USER MOD Single : A 81 LYS NZ :NH3+ 148:sc= -0.343 (180deg=-1.16!) USER MOD Single : A 82 TYR OH : rot 180:sc= -0.111 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 228 N MET A 19 12.128 -8.055 3.745 1.00 0.00 N ATOM 229 CA MET A 19 11.913 -7.012 2.749 1.00 0.00 C ATOM 230 C MET A 19 11.952 -5.630 3.392 1.00 0.00 C ATOM 231 O MET A 19 12.667 -4.740 2.930 1.00 0.00 O ATOM 232 CB MET A 19 10.572 -7.221 2.043 1.00 0.00 C ATOM 233 CG MET A 19 10.497 -8.517 1.252 1.00 0.00 C ATOM 234 SD MET A 19 10.890 -8.288 -0.493 1.00 0.00 S ATOM 235 CE MET A 19 9.663 -7.071 -0.960 1.00 0.00 C ATOM 0 HA MET A 19 12.716 -7.074 2.015 1.00 0.00 H new ATOM 0 HB2 MET A 19 9.774 -7.212 2.786 1.00 0.00 H new ATOM 0 HB3 MET A 19 10.391 -6.383 1.370 1.00 0.00 H new ATOM 0 HG2 MET A 19 11.187 -9.242 1.684 1.00 0.00 H new ATOM 0 HG3 MET A 19 9.495 -8.936 1.343 1.00 0.00 H new ATOM 0 HE1 MET A 19 9.337 -7.257 -1.983 1.00 0.00 H new ATOM 0 HE2 MET A 19 8.808 -7.140 -0.288 1.00 0.00 H new ATOM 0 HE3 MET A 19 10.097 -6.073 -0.894 1.00 0.00 H new ATOM 245 N LEU A 20 11.180 -5.458 4.460 1.00 0.00 N ATOM 246 CA LEU A 20 11.127 -4.184 5.167 1.00 0.00 C ATOM 247 C LEU A 20 12.367 -3.991 6.034 1.00 0.00 C ATOM 248 O LEU A 20 12.818 -2.865 6.248 1.00 0.00 O ATOM 249 CB LEU A 20 9.868 -4.111 6.033 1.00 0.00 C ATOM 250 CG LEU A 20 8.549 -4.215 5.267 1.00 0.00 C ATOM 251 CD1 LEU A 20 7.487 -4.889 6.122 1.00 0.00 C ATOM 252 CD2 LEU A 20 8.083 -2.836 4.823 1.00 0.00 C ATOM 0 H LEU A 20 10.583 -6.185 4.855 1.00 0.00 H new ATOM 0 HA LEU A 20 11.097 -3.386 4.426 1.00 0.00 H new ATOM 0 HB2 LEU A 20 9.906 -4.912 6.771 1.00 0.00 H new ATOM 0 HB3 LEU A 20 9.878 -3.170 6.583 1.00 0.00 H new ATOM 0 HG LEU A 20 8.712 -4.826 4.379 1.00 0.00 H new ATOM 0 HD11 LEU A 20 6.555 -4.954 5.560 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.819 -5.892 6.392 1.00 0.00 H new ATOM 0 HD13 LEU A 20 7.324 -4.305 7.028 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.143 -2.927 4.279 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.936 -2.202 5.698 1.00 0.00 H new ATOM 0 HD23 LEU A 20 8.836 -2.389 4.174 1.00 0.00 H new ATOM 264 N THR A 21 12.913 -5.096 6.532 1.00 0.00 N ATOM 265 CA THR A 21 14.101 -5.047 7.376 1.00 0.00 C ATOM 266 C THR A 21 15.368 -4.985 6.530 1.00 0.00 C ATOM 267 O THR A 21 16.322 -4.287 6.873 1.00 0.00 O ATOM 268 CB THR A 21 14.148 -6.269 8.296 1.00 0.00 C ATOM 269 OG1 THR A 21 12.843 -6.654 8.686 1.00 0.00 O ATOM 270 CG2 THR A 21 14.954 -6.037 9.557 1.00 0.00 C ATOM 0 H THR A 21 12.552 -6.035 6.366 1.00 0.00 H new ATOM 0 HA THR A 21 14.047 -4.144 7.984 1.00 0.00 H new ATOM 0 HB THR A 21 14.632 -7.052 7.712 1.00 0.00 H new ATOM 0 HG1 THR A 21 12.895 -7.438 9.272 1.00 0.00 H new ATOM 0 HG21 THR A 21 14.947 -6.942 10.165 1.00 0.00 H new ATOM 0 HG22 THR A 21 15.981 -5.786 9.291 1.00 0.00 H new ATOM 0 HG23 THR A 21 14.515 -5.216 10.124 1.00 0.00 H new ATOM 278 N SER A 22 15.370 -5.720 5.422 1.00 0.00 N ATOM 279 CA SER A 22 16.520 -5.747 4.526 1.00 0.00 C ATOM 280 C SER A 22 16.674 -4.417 3.797 1.00 0.00 C ATOM 281 O SER A 22 17.789 -3.986 3.499 1.00 0.00 O ATOM 282 CB SER A 22 16.377 -6.885 3.514 1.00 0.00 C ATOM 283 OG SER A 22 17.619 -7.529 3.288 1.00 0.00 O ATOM 0 H SER A 22 14.589 -6.304 5.124 1.00 0.00 H new ATOM 0 HA SER A 22 17.414 -5.915 5.127 1.00 0.00 H new ATOM 0 HB2 SER A 22 15.649 -7.610 3.879 1.00 0.00 H new ATOM 0 HB3 SER A 22 15.992 -6.492 2.573 1.00 0.00 H new ATOM 0 HG SER A 22 17.499 -8.253 2.639 1.00 0.00 H new ATOM 289 N LEU A 23 15.549 -3.770 3.512 1.00 0.00 N ATOM 290 CA LEU A 23 15.559 -2.488 2.818 1.00 0.00 C ATOM 291 C LEU A 23 15.679 -1.334 3.808 1.00 0.00 C ATOM 292 O LEU A 23 16.249 -0.289 3.491 1.00 0.00 O ATOM 293 CB LEU A 23 14.288 -2.328 1.982 1.00 0.00 C ATOM 294 CG LEU A 23 14.147 -3.315 0.822 1.00 0.00 C ATOM 295 CD1 LEU A 23 12.734 -3.283 0.262 1.00 0.00 C ATOM 296 CD2 LEU A 23 15.162 -3.006 -0.267 1.00 0.00 C ATOM 0 H LEU A 23 14.619 -4.113 3.751 1.00 0.00 H new ATOM 0 HA LEU A 23 16.426 -2.467 2.157 1.00 0.00 H new ATOM 0 HB2 LEU A 23 13.424 -2.436 2.638 1.00 0.00 H new ATOM 0 HB3 LEU A 23 14.260 -1.314 1.582 1.00 0.00 H new ATOM 0 HG LEU A 23 14.343 -4.319 1.199 1.00 0.00 H new ATOM 0 HD11 LEU A 23 12.653 -3.992 -0.562 1.00 0.00 H new ATOM 0 HD12 LEU A 23 12.026 -3.555 1.045 1.00 0.00 H new ATOM 0 HD13 LEU A 23 12.508 -2.280 -0.099 1.00 0.00 H new ATOM 0 HD21 LEU A 23 15.047 -3.718 -1.084 1.00 0.00 H new ATOM 0 HD22 LEU A 23 14.998 -1.995 -0.641 1.00 0.00 H new ATOM 0 HD23 LEU A 23 16.169 -3.083 0.142 1.00 0.00 H new ATOM 308 N GLY A 24 15.138 -1.528 5.006 1.00 0.00 N ATOM 309 CA GLY A 24 15.195 -0.494 6.022 1.00 0.00 C ATOM 310 C GLY A 24 13.978 0.408 6.001 1.00 0.00 C ATOM 311 O GLY A 24 14.091 1.619 6.193 1.00 0.00 O ATOM 0 H GLY A 24 14.661 -2.383 5.291 1.00 0.00 H new ATOM 0 HA2 GLY A 24 15.282 -0.959 7.004 1.00 0.00 H new ATOM 0 HA3 GLY A 24 16.092 0.108 5.874 1.00 0.00 H new ATOM 315 N LEU A 25 12.811 -0.181 5.764 1.00 0.00 N ATOM 316 CA LEU A 25 11.565 0.577 5.718 1.00 0.00 C ATOM 317 C LEU A 25 10.542 0.000 6.691 1.00 0.00 C ATOM 318 O LEU A 25 10.661 -1.145 7.125 1.00 0.00 O ATOM 319 CB LEU A 25 10.994 0.573 4.298 1.00 0.00 C ATOM 320 CG LEU A 25 11.831 1.326 3.262 1.00 0.00 C ATOM 321 CD1 LEU A 25 11.875 0.559 1.949 1.00 0.00 C ATOM 322 CD2 LEU A 25 11.275 2.726 3.045 1.00 0.00 C ATOM 0 H LEU A 25 12.701 -1.182 5.601 1.00 0.00 H new ATOM 0 HA LEU A 25 11.782 1.604 6.013 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.882 -0.461 3.971 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.996 1.009 4.323 1.00 0.00 H new ATOM 0 HG LEU A 25 12.849 1.414 3.641 1.00 0.00 H new ATOM 0 HD11 LEU A 25 12.475 1.111 1.225 1.00 0.00 H new ATOM 0 HD12 LEU A 25 12.319 -0.422 2.116 1.00 0.00 H new ATOM 0 HD13 LEU A 25 10.862 0.438 1.564 1.00 0.00 H new ATOM 0 HD21 LEU A 25 11.882 3.248 2.305 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.247 2.658 2.688 1.00 0.00 H new ATOM 0 HD23 LEU A 25 11.297 3.276 3.986 1.00 0.00 H new ATOM 334 N LYS A 26 9.537 0.802 7.030 1.00 0.00 N ATOM 335 CA LYS A 26 8.492 0.370 7.952 1.00 0.00 C ATOM 336 C LYS A 26 7.230 1.207 7.774 1.00 0.00 C ATOM 337 O LYS A 26 7.205 2.152 6.986 1.00 0.00 O ATOM 338 CB LYS A 26 8.988 0.467 9.398 1.00 0.00 C ATOM 339 CG LYS A 26 9.446 -0.863 9.974 1.00 0.00 C ATOM 340 CD LYS A 26 10.557 -0.676 10.996 1.00 0.00 C ATOM 341 CE LYS A 26 10.072 -0.969 12.407 1.00 0.00 C ATOM 342 NZ LYS A 26 10.904 -0.284 13.434 1.00 0.00 N ATOM 0 H LYS A 26 9.424 1.754 6.680 1.00 0.00 H new ATOM 0 HA LYS A 26 8.249 -0.669 7.729 1.00 0.00 H new ATOM 0 HB2 LYS A 26 9.814 1.177 9.443 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.189 0.868 10.021 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.601 -1.368 10.442 1.00 0.00 H new ATOM 0 HG3 LYS A 26 9.796 -1.508 9.168 1.00 0.00 H new ATOM 0 HD2 LYS A 26 11.391 -1.334 10.753 1.00 0.00 H new ATOM 0 HD3 LYS A 26 10.932 0.346 10.944 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.035 -0.649 12.508 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.092 -2.045 12.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.541 -0.509 14.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 11.889 -0.608 13.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 10.864 0.744 13.284 1.00 0.00 H new ATOM 356 N LEU A 27 6.183 0.853 8.513 1.00 0.00 N ATOM 357 CA LEU A 27 4.917 1.572 8.437 1.00 0.00 C ATOM 358 C LEU A 27 5.058 2.984 8.995 1.00 0.00 C ATOM 359 O LEU A 27 5.363 3.169 10.173 1.00 0.00 O ATOM 360 CB LEU A 27 3.829 0.816 9.203 1.00 0.00 C ATOM 361 CG LEU A 27 3.658 -0.652 8.805 1.00 0.00 C ATOM 362 CD1 LEU A 27 3.240 -1.484 10.007 1.00 0.00 C ATOM 363 CD2 LEU A 27 2.640 -0.783 7.683 1.00 0.00 C ATOM 0 H LEU A 27 6.187 0.073 9.171 1.00 0.00 H new ATOM 0 HA LEU A 27 4.631 1.642 7.387 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.056 0.864 10.268 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.879 1.330 9.056 1.00 0.00 H new ATOM 0 HG LEU A 27 4.616 -1.027 8.445 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.123 -2.525 9.706 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.004 -1.414 10.781 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.293 -1.110 10.397 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.530 -1.833 7.412 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.679 -0.392 8.016 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.980 -0.218 6.815 1.00 0.00 H new ATOM 375 N GLY A 28 4.834 3.979 8.141 1.00 0.00 N ATOM 376 CA GLY A 28 4.942 5.361 8.568 1.00 0.00 C ATOM 377 C GLY A 28 5.855 6.174 7.672 1.00 0.00 C ATOM 378 O GLY A 28 5.503 7.276 7.252 1.00 0.00 O ATOM 0 H GLY A 28 4.580 3.852 7.161 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.950 5.814 8.578 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.318 5.394 9.591 1.00 0.00 H new ATOM 382 N ASP A 29 7.032 5.630 7.380 1.00 0.00 N ATOM 383 CA ASP A 29 8.000 6.313 6.528 1.00 0.00 C ATOM 384 C ASP A 29 7.440 6.515 5.123 1.00 0.00 C ATOM 385 O ASP A 29 6.450 5.890 4.742 1.00 0.00 O ATOM 386 CB ASP A 29 9.303 5.514 6.460 1.00 0.00 C ATOM 387 CG ASP A 29 10.291 5.927 7.534 1.00 0.00 C ATOM 388 OD1 ASP A 29 10.231 7.093 7.980 1.00 0.00 O ATOM 389 OD2 ASP A 29 11.122 5.084 7.932 1.00 0.00 O ATOM 0 H ASP A 29 7.339 4.719 7.720 1.00 0.00 H new ATOM 0 HA ASP A 29 8.204 7.291 6.963 1.00 0.00 H new ATOM 0 HB2 ASP A 29 9.081 4.452 6.564 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.759 5.650 5.479 1.00 0.00 H new ATOM 394 N ARG A 30 8.081 7.392 4.358 1.00 0.00 N ATOM 395 CA ARG A 30 7.647 7.677 2.995 1.00 0.00 C ATOM 396 C ARG A 30 8.255 6.682 2.012 1.00 0.00 C ATOM 397 O ARG A 30 9.433 6.337 2.110 1.00 0.00 O ATOM 398 CB ARG A 30 8.038 9.104 2.602 1.00 0.00 C ATOM 399 CG ARG A 30 7.007 10.148 3.000 1.00 0.00 C ATOM 400 CD ARG A 30 6.065 10.466 1.851 1.00 0.00 C ATOM 401 NE ARG A 30 5.608 11.853 1.885 1.00 0.00 N ATOM 402 CZ ARG A 30 4.557 12.305 1.204 1.00 0.00 C ATOM 403 NH1 ARG A 30 3.851 11.483 0.437 1.00 0.00 N ATOM 404 NH2 ARG A 30 4.210 13.582 1.291 1.00 0.00 N ATOM 0 H ARG A 30 8.902 7.917 4.658 1.00 0.00 H new ATOM 0 HA ARG A 30 6.562 7.581 2.957 1.00 0.00 H new ATOM 0 HB2 ARG A 30 8.992 9.352 3.067 1.00 0.00 H new ATOM 0 HB3 ARG A 30 8.189 9.147 1.523 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.433 9.787 3.853 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.514 11.059 3.319 1.00 0.00 H new ATOM 0 HD2 ARG A 30 6.570 10.274 0.904 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.204 9.799 1.893 1.00 0.00 H new ATOM 0 HE ARG A 30 6.125 12.514 2.465 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.113 10.500 0.367 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.047 11.835 -0.082 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.748 14.218 1.880 1.00 0.00 H new ATOM 0 HH22 ARG A 30 3.405 13.928 0.769 1.00 0.00 H new ATOM 418 N VAL A 31 7.444 6.224 1.064 1.00 0.00 N ATOM 419 CA VAL A 31 7.902 5.268 0.062 1.00 0.00 C ATOM 420 C VAL A 31 7.541 5.730 -1.344 1.00 0.00 C ATOM 421 O VAL A 31 6.720 6.631 -1.522 1.00 0.00 O ATOM 422 CB VAL A 31 7.298 3.872 0.302 1.00 0.00 C ATOM 423 CG1 VAL A 31 7.805 3.286 1.611 1.00 0.00 C ATOM 424 CG2 VAL A 31 5.779 3.938 0.291 1.00 0.00 C ATOM 0 H VAL A 31 6.467 6.499 0.968 1.00 0.00 H new ATOM 0 HA VAL A 31 8.986 5.208 0.154 1.00 0.00 H new ATOM 0 HB VAL A 31 7.616 3.216 -0.508 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.367 2.300 1.762 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.891 3.199 1.574 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.521 3.939 2.436 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.370 2.942 0.462 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.438 4.610 1.078 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.438 4.309 -0.676 1.00 0.00 H new ATOM 434 N VAL A 32 8.158 5.107 -2.343 1.00 0.00 N ATOM 435 CA VAL A 32 7.902 5.453 -3.736 1.00 0.00 C ATOM 436 C VAL A 32 7.565 4.212 -4.556 1.00 0.00 C ATOM 437 O VAL A 32 8.323 3.243 -4.575 1.00 0.00 O ATOM 438 CB VAL A 32 9.112 6.169 -4.370 1.00 0.00 C ATOM 439 CG1 VAL A 32 10.332 5.259 -4.377 1.00 0.00 C ATOM 440 CG2 VAL A 32 8.779 6.638 -5.778 1.00 0.00 C ATOM 0 H VAL A 32 8.839 4.359 -2.213 1.00 0.00 H new ATOM 0 HA VAL A 32 7.048 6.131 -3.744 1.00 0.00 H new ATOM 0 HB VAL A 32 9.347 7.046 -3.766 1.00 0.00 H new ATOM 0 HG11 VAL A 32 11.174 5.783 -4.828 1.00 0.00 H new ATOM 0 HG12 VAL A 32 10.584 4.981 -3.354 1.00 0.00 H new ATOM 0 HG13 VAL A 32 10.112 4.361 -4.954 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.645 7.141 -6.208 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.514 5.779 -6.395 1.00 0.00 H new ATOM 0 HG23 VAL A 32 7.938 7.331 -5.741 1.00 0.00 H new ATOM 450 N ILE A 33 6.421 4.249 -5.233 1.00 0.00 N ATOM 451 CA ILE A 33 5.983 3.127 -6.055 1.00 0.00 C ATOM 452 C ILE A 33 6.763 3.068 -7.364 1.00 0.00 C ATOM 453 O ILE A 33 6.611 3.932 -8.228 1.00 0.00 O ATOM 454 CB ILE A 33 4.478 3.215 -6.372 1.00 0.00 C ATOM 455 CG1 ILE A 33 3.678 3.461 -5.091 1.00 0.00 C ATOM 456 CG2 ILE A 33 4.006 1.944 -7.062 1.00 0.00 C ATOM 457 CD1 ILE A 33 2.285 3.992 -5.342 1.00 0.00 C ATOM 0 H ILE A 33 5.781 5.043 -5.228 1.00 0.00 H new ATOM 0 HA ILE A 33 6.173 2.221 -5.479 1.00 0.00 H new ATOM 0 HB ILE A 33 4.313 4.054 -7.048 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.607 2.528 -4.532 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.220 4.168 -4.464 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.941 2.022 -7.279 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.557 1.809 -7.993 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.181 1.089 -6.409 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.776 4.143 -4.390 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.348 4.941 -5.874 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.725 3.275 -5.943 1.00 0.00 H new ATOM 469 N ALA A 34 7.598 2.043 -7.504 1.00 0.00 N ATOM 470 CA ALA A 34 8.402 1.870 -8.707 1.00 0.00 C ATOM 471 C ALA A 34 9.285 3.088 -8.960 1.00 0.00 C ATOM 472 O ALA A 34 9.623 3.395 -10.103 1.00 0.00 O ATOM 473 CB ALA A 34 7.506 1.609 -9.907 1.00 0.00 C ATOM 0 H ALA A 34 7.735 1.320 -6.798 1.00 0.00 H new ATOM 0 HA ALA A 34 9.052 1.008 -8.557 1.00 0.00 H new ATOM 0 HB1 ALA A 34 8.120 1.482 -10.799 1.00 0.00 H new ATOM 0 HB2 ALA A 34 6.923 0.704 -9.736 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.832 2.454 -10.048 1.00 0.00 H new ATOM 479 N GLY A 35 9.655 3.780 -7.887 1.00 0.00 N ATOM 480 CA GLY A 35 10.495 4.956 -8.016 1.00 0.00 C ATOM 481 C GLY A 35 9.865 6.026 -8.887 1.00 0.00 C ATOM 482 O GLY A 35 10.566 6.756 -9.587 1.00 0.00 O ATOM 0 H GLY A 35 9.388 3.547 -6.931 1.00 0.00 H new ATOM 0 HA2 GLY A 35 10.693 5.368 -7.026 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.457 4.667 -8.439 1.00 0.00 H new ATOM 486 N GLN A 36 8.540 6.117 -8.845 1.00 0.00 N ATOM 487 CA GLN A 36 7.818 7.104 -9.639 1.00 0.00 C ATOM 488 C GLN A 36 6.772 7.824 -8.794 1.00 0.00 C ATOM 489 O GLN A 36 6.882 9.023 -8.541 1.00 0.00 O ATOM 490 CB GLN A 36 7.146 6.432 -10.838 1.00 0.00 C ATOM 491 CG GLN A 36 6.993 7.348 -12.042 1.00 0.00 C ATOM 492 CD GLN A 36 5.543 7.665 -12.355 1.00 0.00 C ATOM 493 OE1 GLN A 36 4.930 8.518 -11.713 1.00 0.00 O ATOM 494 NE2 GLN A 36 4.988 6.977 -13.346 1.00 0.00 N ATOM 0 H GLN A 36 7.945 5.520 -8.270 1.00 0.00 H new ATOM 0 HA GLN A 36 8.537 7.840 -9.999 1.00 0.00 H new ATOM 0 HB2 GLN A 36 7.729 5.558 -11.128 1.00 0.00 H new ATOM 0 HB3 GLN A 36 6.162 6.073 -10.538 1.00 0.00 H new ATOM 0 HG2 GLN A 36 7.532 8.277 -11.857 1.00 0.00 H new ATOM 0 HG3 GLN A 36 7.454 6.879 -12.911 1.00 0.00 H new ATOM 0 HE21 GLN A 36 5.534 6.279 -13.851 1.00 0.00 H new ATOM 0 HE22 GLN A 36 4.015 7.146 -13.602 1.00 0.00 H new ATOM 503 N LYS A 37 5.755 7.084 -8.361 1.00 0.00 N ATOM 504 CA LYS A 37 4.688 7.652 -7.546 1.00 0.00 C ATOM 505 C LYS A 37 5.178 7.939 -6.130 1.00 0.00 C ATOM 506 O LYS A 37 5.914 7.145 -5.544 1.00 0.00 O ATOM 507 CB LYS A 37 3.489 6.701 -7.498 1.00 0.00 C ATOM 508 CG LYS A 37 3.159 6.069 -8.841 1.00 0.00 C ATOM 509 CD LYS A 37 1.843 5.308 -8.790 1.00 0.00 C ATOM 510 CE LYS A 37 0.714 6.100 -9.430 1.00 0.00 C ATOM 511 NZ LYS A 37 -0.301 5.211 -10.058 1.00 0.00 N ATOM 0 H LYS A 37 5.648 6.090 -8.562 1.00 0.00 H new ATOM 0 HA LYS A 37 4.379 8.592 -8.004 1.00 0.00 H new ATOM 0 HB2 LYS A 37 3.691 5.911 -6.774 1.00 0.00 H new ATOM 0 HB3 LYS A 37 2.617 7.247 -7.139 1.00 0.00 H new ATOM 0 HG2 LYS A 37 3.103 6.844 -9.605 1.00 0.00 H new ATOM 0 HG3 LYS A 37 3.961 5.391 -9.133 1.00 0.00 H new ATOM 0 HD2 LYS A 37 1.954 4.353 -9.303 1.00 0.00 H new ATOM 0 HD3 LYS A 37 1.590 5.086 -7.753 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.234 6.723 -8.675 1.00 0.00 H new ATOM 0 HE3 LYS A 37 1.124 6.772 -10.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -1.054 5.789 -10.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.151 4.635 -10.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.711 4.587 -9.334 1.00 0.00 H new ATOM 525 N VAL A 38 4.765 9.079 -5.586 1.00 0.00 N ATOM 526 CA VAL A 38 5.162 9.471 -4.240 1.00 0.00 C ATOM 527 C VAL A 38 3.988 9.379 -3.272 1.00 0.00 C ATOM 528 O VAL A 38 2.917 9.932 -3.524 1.00 0.00 O ATOM 529 CB VAL A 38 5.723 10.905 -4.213 1.00 0.00 C ATOM 530 CG1 VAL A 38 6.315 11.223 -2.848 1.00 0.00 C ATOM 531 CG2 VAL A 38 6.761 11.093 -5.309 1.00 0.00 C ATOM 0 H VAL A 38 4.155 9.747 -6.057 1.00 0.00 H new ATOM 0 HA VAL A 38 5.943 8.778 -3.928 1.00 0.00 H new ATOM 0 HB VAL A 38 4.903 11.599 -4.398 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.706 12.240 -2.849 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.541 11.133 -2.086 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.123 10.524 -2.630 1.00 0.00 H new ATOM 0 HG21 VAL A 38 7.146 12.112 -5.274 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.580 10.390 -5.159 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.301 10.912 -6.281 1.00 0.00 H new ATOM 541 N GLY A 39 4.195 8.675 -2.163 1.00 0.00 N ATOM 542 CA GLY A 39 3.145 8.523 -1.174 1.00 0.00 C ATOM 543 C GLY A 39 3.674 8.063 0.170 1.00 0.00 C ATOM 544 O GLY A 39 4.842 7.691 0.289 1.00 0.00 O ATOM 0 H GLY A 39 5.072 8.207 -1.932 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.627 9.474 -1.050 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.410 7.804 -1.537 1.00 0.00 H new ATOM 548 N THR A 40 2.816 8.088 1.183 1.00 0.00 N ATOM 549 CA THR A 40 3.205 7.670 2.525 1.00 0.00 C ATOM 550 C THR A 40 2.817 6.217 2.777 1.00 0.00 C ATOM 551 O THR A 40 1.647 5.847 2.669 1.00 0.00 O ATOM 552 CB THR A 40 2.550 8.572 3.572 1.00 0.00 C ATOM 553 OG1 THR A 40 2.315 9.866 3.044 1.00 0.00 O ATOM 554 CG2 THR A 40 3.381 8.733 4.827 1.00 0.00 C ATOM 0 H THR A 40 1.846 8.393 1.101 1.00 0.00 H new ATOM 0 HA THR A 40 4.289 7.757 2.605 1.00 0.00 H new ATOM 0 HB THR A 40 1.615 8.077 3.835 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.894 10.427 3.728 1.00 0.00 H new ATOM 0 HG21 THR A 40 2.859 9.384 5.528 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.539 7.757 5.287 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.345 9.173 4.571 1.00 0.00 H new ATOM 562 N LEU A 41 3.807 5.396 3.111 1.00 0.00 N ATOM 563 CA LEU A 41 3.571 3.982 3.378 1.00 0.00 C ATOM 564 C LEU A 41 2.708 3.799 4.623 1.00 0.00 C ATOM 565 O LEU A 41 3.111 4.163 5.728 1.00 0.00 O ATOM 566 CB LEU A 41 4.901 3.245 3.552 1.00 0.00 C ATOM 567 CG LEU A 41 4.800 1.720 3.560 1.00 0.00 C ATOM 568 CD1 LEU A 41 4.452 1.201 2.174 1.00 0.00 C ATOM 569 CD2 LEU A 41 6.101 1.102 4.052 1.00 0.00 C ATOM 0 H LEU A 41 4.781 5.686 3.203 1.00 0.00 H new ATOM 0 HA LEU A 41 3.039 3.561 2.525 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.573 3.545 2.748 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.358 3.568 4.487 1.00 0.00 H new ATOM 0 HG LEU A 41 4.002 1.431 4.244 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.384 0.113 2.199 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.495 1.617 1.859 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.227 1.500 1.468 1.00 0.00 H new ATOM 0 HD21 LEU A 41 6.011 0.016 4.051 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.917 1.399 3.393 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.308 1.448 5.065 1.00 0.00 H new ATOM 581 N ARG A 42 1.521 3.232 4.436 1.00 0.00 N ATOM 582 CA ARG A 42 0.602 3.000 5.544 1.00 0.00 C ATOM 583 C ARG A 42 0.503 1.512 5.867 1.00 0.00 C ATOM 584 O ARG A 42 0.293 1.129 7.017 1.00 0.00 O ATOM 585 CB ARG A 42 -0.784 3.554 5.210 1.00 0.00 C ATOM 586 CG ARG A 42 -0.751 4.949 4.607 1.00 0.00 C ATOM 587 CD ARG A 42 -0.169 5.963 5.579 1.00 0.00 C ATOM 588 NE ARG A 42 -1.205 6.622 6.369 1.00 0.00 N ATOM 589 CZ ARG A 42 -0.957 7.353 7.454 1.00 0.00 C ATOM 590 NH1 ARG A 42 0.289 7.522 7.879 1.00 0.00 N ATOM 591 NH2 ARG A 42 -1.959 7.918 8.115 1.00 0.00 N ATOM 0 H ARG A 42 1.173 2.925 3.528 1.00 0.00 H new ATOM 0 HA ARG A 42 0.991 3.519 6.420 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -1.279 2.877 4.513 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.387 3.573 6.118 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.157 4.937 3.693 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -1.761 5.250 4.327 1.00 0.00 H new ATOM 0 HD2 ARG A 42 0.533 5.463 6.247 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.396 6.713 5.025 1.00 0.00 H new ATOM 0 HE ARG A 42 -2.175 6.516 6.073 1.00 0.00 H new ATOM 0 HH11 ARG A 42 1.063 7.091 7.374 1.00 0.00 H new ATOM 0 HH12 ARG A 42 0.472 8.083 8.711 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -2.918 7.792 7.792 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -1.770 8.478 8.946 1.00 0.00 H new ATOM 605 N PHE A 43 0.653 0.678 4.842 1.00 0.00 N ATOM 606 CA PHE A 43 0.579 -0.767 5.017 1.00 0.00 C ATOM 607 C PHE A 43 1.744 -1.459 4.314 1.00 0.00 C ATOM 608 O PHE A 43 2.243 -0.977 3.298 1.00 0.00 O ATOM 609 CB PHE A 43 -0.748 -1.300 4.475 1.00 0.00 C ATOM 610 CG PHE A 43 -0.923 -2.781 4.662 1.00 0.00 C ATOM 611 CD1 PHE A 43 -0.908 -3.339 5.931 1.00 0.00 C ATOM 612 CD2 PHE A 43 -1.102 -3.613 3.569 1.00 0.00 C ATOM 613 CE1 PHE A 43 -1.069 -4.700 6.105 1.00 0.00 C ATOM 614 CE2 PHE A 43 -1.263 -4.976 3.738 1.00 0.00 C ATOM 615 CZ PHE A 43 -1.246 -5.520 5.008 1.00 0.00 C ATOM 0 H PHE A 43 0.826 0.979 3.883 1.00 0.00 H new ATOM 0 HA PHE A 43 0.640 -0.983 6.084 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.568 -0.780 4.970 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.817 -1.066 3.413 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -0.769 -2.703 6.793 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -1.116 -3.193 2.574 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -1.056 -5.123 7.099 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.402 -5.615 2.878 1.00 0.00 H new ATOM 0 HZ PHE A 43 -1.371 -6.584 5.142 1.00 0.00 H new ATOM 625 N CYS A 44 2.170 -2.592 4.863 1.00 0.00 N ATOM 626 CA CYS A 44 3.275 -3.350 4.288 1.00 0.00 C ATOM 627 C CYS A 44 3.130 -4.838 4.595 1.00 0.00 C ATOM 628 O CYS A 44 2.866 -5.226 5.731 1.00 0.00 O ATOM 629 CB CYS A 44 4.609 -2.835 4.828 1.00 0.00 C ATOM 630 SG CYS A 44 4.810 -3.034 6.615 1.00 0.00 S ATOM 0 H CYS A 44 1.767 -3.005 5.704 1.00 0.00 H new ATOM 0 HA CYS A 44 3.252 -3.215 3.207 1.00 0.00 H new ATOM 0 HB2 CYS A 44 5.420 -3.359 4.322 1.00 0.00 H new ATOM 0 HB3 CYS A 44 4.706 -1.779 4.578 1.00 0.00 H new ATOM 0 HG CYS A 44 4.102 -4.046 7.021 1.00 0.00 H new ATOM 636 N GLY A 45 3.306 -5.667 3.570 1.00 0.00 N ATOM 637 CA GLY A 45 3.192 -7.102 3.749 1.00 0.00 C ATOM 638 C GLY A 45 2.466 -7.774 2.601 1.00 0.00 C ATOM 639 O GLY A 45 2.799 -7.559 1.435 1.00 0.00 O ATOM 0 H GLY A 45 3.525 -5.370 2.619 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.188 -7.533 3.847 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.663 -7.308 4.680 1.00 0.00 H new ATOM 643 N THR A 46 1.470 -8.592 2.931 1.00 0.00 N ATOM 644 CA THR A 46 0.694 -9.298 1.918 1.00 0.00 C ATOM 645 C THR A 46 -0.756 -8.824 1.914 1.00 0.00 C ATOM 646 O THR A 46 -1.179 -8.084 2.802 1.00 0.00 O ATOM 647 CB THR A 46 0.748 -10.807 2.165 1.00 0.00 C ATOM 648 OG1 THR A 46 0.162 -11.131 3.413 1.00 0.00 O ATOM 649 CG2 THR A 46 2.155 -11.365 2.160 1.00 0.00 C ATOM 0 H THR A 46 1.182 -8.782 3.891 1.00 0.00 H new ATOM 0 HA THR A 46 1.131 -9.079 0.944 1.00 0.00 H new ATOM 0 HB THR A 46 0.194 -11.255 1.340 1.00 0.00 H new ATOM 0 HG1 THR A 46 0.204 -12.100 3.552 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.121 -12.439 2.341 1.00 0.00 H new ATOM 0 HG22 THR A 46 2.619 -11.175 1.192 1.00 0.00 H new ATOM 0 HG23 THR A 46 2.740 -10.884 2.943 1.00 0.00 H new ATOM 657 N THR A 47 -1.511 -9.255 0.909 1.00 0.00 N ATOM 658 CA THR A 47 -2.914 -8.875 0.789 1.00 0.00 C ATOM 659 C THR A 47 -3.810 -10.108 0.752 1.00 0.00 C ATOM 660 O THR A 47 -3.326 -11.240 0.753 1.00 0.00 O ATOM 661 CB THR A 47 -3.129 -8.035 -0.471 1.00 0.00 C ATOM 662 OG1 THR A 47 -2.795 -8.777 -1.631 1.00 0.00 O ATOM 663 CG2 THR A 47 -2.313 -6.762 -0.489 1.00 0.00 C ATOM 0 H THR A 47 -1.175 -9.868 0.166 1.00 0.00 H new ATOM 0 HA THR A 47 -3.181 -8.281 1.663 1.00 0.00 H new ATOM 0 HB THR A 47 -4.186 -7.768 -0.463 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.874 -8.574 -1.895 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.513 -6.214 -1.410 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.584 -6.144 0.367 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.253 -7.009 -0.437 1.00 0.00 H new ATOM 671 N GLU A 48 -5.120 -9.882 0.718 1.00 0.00 N ATOM 672 CA GLU A 48 -6.083 -10.976 0.680 1.00 0.00 C ATOM 673 C GLU A 48 -6.767 -11.068 -0.684 1.00 0.00 C ATOM 674 O GLU A 48 -7.768 -11.767 -0.838 1.00 0.00 O ATOM 675 CB GLU A 48 -7.134 -10.792 1.776 1.00 0.00 C ATOM 676 CG GLU A 48 -6.699 -11.327 3.131 1.00 0.00 C ATOM 677 CD GLU A 48 -7.619 -12.414 3.654 1.00 0.00 C ATOM 678 OE1 GLU A 48 -7.623 -13.518 3.072 1.00 0.00 O ATOM 679 OE2 GLU A 48 -8.335 -12.158 4.645 1.00 0.00 O ATOM 0 H GLU A 48 -5.538 -8.952 0.716 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.540 -11.905 0.852 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -7.366 -9.731 1.871 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -8.053 -11.294 1.474 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.686 -11.721 3.053 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -6.668 -10.507 3.848 1.00 0.00 H new ATOM 686 N PHE A 49 -6.221 -10.362 -1.672 1.00 0.00 N ATOM 687 CA PHE A 49 -6.783 -10.372 -3.018 1.00 0.00 C ATOM 688 C PHE A 49 -5.759 -10.876 -4.030 1.00 0.00 C ATOM 689 O PHE A 49 -6.095 -11.628 -4.946 1.00 0.00 O ATOM 690 CB PHE A 49 -7.258 -8.971 -3.408 1.00 0.00 C ATOM 691 CG PHE A 49 -6.156 -7.951 -3.449 1.00 0.00 C ATOM 692 CD1 PHE A 49 -5.399 -7.775 -4.596 1.00 0.00 C ATOM 693 CD2 PHE A 49 -5.877 -7.168 -2.341 1.00 0.00 C ATOM 694 CE1 PHE A 49 -4.385 -6.837 -4.638 1.00 0.00 C ATOM 695 CE2 PHE A 49 -4.865 -6.228 -2.376 1.00 0.00 C ATOM 696 CZ PHE A 49 -4.118 -6.062 -3.527 1.00 0.00 C ATOM 0 H PHE A 49 -5.392 -9.778 -1.565 1.00 0.00 H new ATOM 0 HA PHE A 49 -7.637 -11.050 -3.023 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -7.735 -9.018 -4.387 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -8.018 -8.644 -2.699 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.604 -8.378 -5.468 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -6.457 -7.294 -1.439 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -3.802 -6.710 -5.538 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -4.658 -5.624 -1.505 1.00 0.00 H new ATOM 0 HZ PHE A 49 -3.327 -5.327 -3.557 1.00 0.00 H new ATOM 706 N ALA A 50 -4.509 -10.459 -3.857 1.00 0.00 N ATOM 707 CA ALA A 50 -3.436 -10.870 -4.754 1.00 0.00 C ATOM 708 C ALA A 50 -2.409 -11.726 -4.021 1.00 0.00 C ATOM 709 O ALA A 50 -2.496 -11.914 -2.807 1.00 0.00 O ATOM 710 CB ALA A 50 -2.766 -9.650 -5.368 1.00 0.00 C ATOM 0 H ALA A 50 -4.215 -9.837 -3.104 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.871 -11.472 -5.552 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.967 -9.971 -6.036 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.501 -9.076 -5.932 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.349 -9.027 -4.577 1.00 0.00 H new ATOM 716 N SER A 51 -1.436 -12.245 -4.764 1.00 0.00 N ATOM 717 CA SER A 51 -0.393 -13.081 -4.183 1.00 0.00 C ATOM 718 C SER A 51 0.981 -12.444 -4.364 1.00 0.00 C ATOM 719 O SER A 51 1.389 -12.133 -5.483 1.00 0.00 O ATOM 720 CB SER A 51 -0.410 -14.472 -4.820 1.00 0.00 C ATOM 721 OG SER A 51 -0.147 -14.399 -6.211 1.00 0.00 O ATOM 0 H SER A 51 -1.349 -12.101 -5.770 1.00 0.00 H new ATOM 0 HA SER A 51 -0.592 -13.175 -3.115 1.00 0.00 H new ATOM 0 HB2 SER A 51 0.335 -15.105 -4.338 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.381 -14.940 -4.654 1.00 0.00 H new ATOM 0 HG SER A 51 0.341 -13.572 -6.409 1.00 0.00 H new ATOM 727 N GLY A 52 1.689 -12.251 -3.255 1.00 0.00 N ATOM 728 CA GLY A 52 3.008 -11.651 -3.313 1.00 0.00 C ATOM 729 C GLY A 52 3.186 -10.541 -2.297 1.00 0.00 C ATOM 730 O GLY A 52 2.305 -10.298 -1.472 1.00 0.00 O ATOM 0 H GLY A 52 1.372 -12.500 -2.318 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.761 -12.420 -3.142 1.00 0.00 H new ATOM 0 HA3 GLY A 52 3.179 -11.254 -4.314 1.00 0.00 H new ATOM 734 N GLN A 53 4.328 -9.864 -2.354 1.00 0.00 N ATOM 735 CA GLN A 53 4.619 -8.773 -1.431 1.00 0.00 C ATOM 736 C GLN A 53 3.926 -7.488 -1.871 1.00 0.00 C ATOM 737 O GLN A 53 4.296 -6.886 -2.879 1.00 0.00 O ATOM 738 CB GLN A 53 6.130 -8.544 -1.337 1.00 0.00 C ATOM 739 CG GLN A 53 6.800 -9.350 -0.237 1.00 0.00 C ATOM 740 CD GLN A 53 6.318 -8.963 1.147 1.00 0.00 C ATOM 741 OE1 GLN A 53 6.879 -8.072 1.786 1.00 0.00 O ATOM 742 NE2 GLN A 53 5.273 -9.633 1.619 1.00 0.00 N ATOM 0 H GLN A 53 5.068 -10.052 -3.030 1.00 0.00 H new ATOM 0 HA GLN A 53 4.239 -9.052 -0.448 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.588 -8.799 -2.293 1.00 0.00 H new ATOM 0 HB3 GLN A 53 6.318 -7.484 -1.166 1.00 0.00 H new ATOM 0 HG2 GLN A 53 6.608 -10.410 -0.401 1.00 0.00 H new ATOM 0 HG3 GLN A 53 7.879 -9.209 -0.294 1.00 0.00 H new ATOM 0 HE21 GLN A 53 4.839 -10.364 1.055 1.00 0.00 H new ATOM 0 HE22 GLN A 53 4.905 -9.417 2.545 1.00 0.00 H new ATOM 751 N TRP A 54 2.919 -7.074 -1.110 1.00 0.00 N ATOM 752 CA TRP A 54 2.174 -5.859 -1.422 1.00 0.00 C ATOM 753 C TRP A 54 2.270 -4.854 -0.279 1.00 0.00 C ATOM 754 O TRP A 54 2.899 -5.120 0.744 1.00 0.00 O ATOM 755 CB TRP A 54 0.707 -6.193 -1.701 1.00 0.00 C ATOM 756 CG TRP A 54 0.512 -7.031 -2.927 1.00 0.00 C ATOM 757 CD1 TRP A 54 0.451 -8.394 -2.988 1.00 0.00 C ATOM 758 CD2 TRP A 54 0.353 -6.561 -4.271 1.00 0.00 C ATOM 759 NE1 TRP A 54 0.263 -8.800 -4.287 1.00 0.00 N ATOM 760 CE2 TRP A 54 0.200 -7.694 -5.092 1.00 0.00 C ATOM 761 CE3 TRP A 54 0.324 -5.293 -4.858 1.00 0.00 C ATOM 762 CZ2 TRP A 54 0.021 -7.595 -6.470 1.00 0.00 C ATOM 763 CZ3 TRP A 54 0.145 -5.196 -6.226 1.00 0.00 C ATOM 764 CH2 TRP A 54 -0.004 -6.342 -7.019 1.00 0.00 C ATOM 0 H TRP A 54 2.600 -7.561 -0.273 1.00 0.00 H new ATOM 0 HA TRP A 54 2.614 -5.412 -2.313 1.00 0.00 H new ATOM 0 HB2 TRP A 54 0.291 -6.718 -0.841 1.00 0.00 H new ATOM 0 HB3 TRP A 54 0.145 -5.265 -1.810 1.00 0.00 H new ATOM 0 HD1 TRP A 54 0.538 -9.056 -2.139 1.00 0.00 H new ATOM 0 HE1 TRP A 54 0.183 -9.767 -4.601 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.439 -4.405 -4.254 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.094 -8.476 -7.083 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 0.120 -4.221 -6.691 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.141 -6.234 -8.085 1.00 0.00 H new ATOM 775 N ALA A 55 1.641 -3.697 -0.462 1.00 0.00 N ATOM 776 CA ALA A 55 1.656 -2.650 0.554 1.00 0.00 C ATOM 777 C ALA A 55 0.508 -1.669 0.346 1.00 0.00 C ATOM 778 O ALA A 55 -0.261 -1.789 -0.607 1.00 0.00 O ATOM 779 CB ALA A 55 2.989 -1.917 0.536 1.00 0.00 C ATOM 0 H ALA A 55 1.115 -3.461 -1.303 1.00 0.00 H new ATOM 0 HA ALA A 55 1.526 -3.120 1.529 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.986 -1.139 1.299 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.795 -2.622 0.740 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.142 -1.464 -0.444 1.00 0.00 H new ATOM 785 N GLY A 56 0.398 -0.696 1.246 1.00 0.00 N ATOM 786 CA GLY A 56 -0.659 0.292 1.145 1.00 0.00 C ATOM 787 C GLY A 56 -0.146 1.709 1.311 1.00 0.00 C ATOM 788 O GLY A 56 0.143 2.145 2.426 1.00 0.00 O ATOM 0 H GLY A 56 1.023 -0.575 2.043 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.149 0.197 0.176 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.414 0.091 1.905 1.00 0.00 H new ATOM 792 N ILE A 57 -0.031 2.429 0.201 1.00 0.00 N ATOM 793 CA ILE A 57 0.452 3.805 0.229 1.00 0.00 C ATOM 794 C ILE A 57 -0.681 4.789 -0.044 1.00 0.00 C ATOM 795 O ILE A 57 -1.678 4.444 -0.676 1.00 0.00 O ATOM 796 CB ILE A 57 1.572 4.028 -0.805 1.00 0.00 C ATOM 797 CG1 ILE A 57 2.639 2.940 -0.678 1.00 0.00 C ATOM 798 CG2 ILE A 57 2.190 5.407 -0.626 1.00 0.00 C ATOM 799 CD1 ILE A 57 3.516 2.807 -1.903 1.00 0.00 C ATOM 0 H ILE A 57 -0.265 2.083 -0.729 1.00 0.00 H new ATOM 0 HA ILE A 57 0.851 3.981 1.228 1.00 0.00 H new ATOM 0 HB ILE A 57 1.140 3.971 -1.804 1.00 0.00 H new ATOM 0 HG12 ILE A 57 3.267 3.157 0.186 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.151 1.985 -0.485 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.980 5.550 -1.363 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.423 6.170 -0.762 1.00 0.00 H new ATOM 0 HG23 ILE A 57 2.610 5.490 0.376 1.00 0.00 H new ATOM 0 HD11 ILE A 57 4.249 2.017 -1.741 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.899 2.559 -2.767 1.00 0.00 H new ATOM 0 HD13 ILE A 57 4.032 3.750 -2.085 1.00 0.00 H new ATOM 811 N GLU A 58 -0.518 6.018 0.435 1.00 0.00 N ATOM 812 CA GLU A 58 -1.526 7.054 0.243 1.00 0.00 C ATOM 813 C GLU A 58 -0.946 8.242 -0.517 1.00 0.00 C ATOM 814 O GLU A 58 -0.248 9.079 0.057 1.00 0.00 O ATOM 815 CB GLU A 58 -2.076 7.517 1.593 1.00 0.00 C ATOM 816 CG GLU A 58 -3.212 8.520 1.475 1.00 0.00 C ATOM 817 CD GLU A 58 -3.328 9.415 2.694 1.00 0.00 C ATOM 818 OE1 GLU A 58 -2.619 10.441 2.746 1.00 0.00 O ATOM 819 OE2 GLU A 58 -4.128 9.088 3.596 1.00 0.00 O ATOM 0 H GLU A 58 0.303 6.321 0.959 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.339 6.630 -0.346 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.426 6.648 2.151 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.267 7.963 2.172 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.057 9.136 0.590 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -4.151 7.985 1.331 1.00 0.00 H new ATOM 826 N LEU A 59 -1.239 8.311 -1.811 1.00 0.00 N ATOM 827 CA LEU A 59 -0.746 9.396 -2.651 1.00 0.00 C ATOM 828 C LEU A 59 -1.361 10.729 -2.234 1.00 0.00 C ATOM 829 O LEU A 59 -2.544 10.800 -1.902 1.00 0.00 O ATOM 830 CB LEU A 59 -1.060 9.114 -4.122 1.00 0.00 C ATOM 831 CG LEU A 59 -0.601 7.748 -4.631 1.00 0.00 C ATOM 832 CD1 LEU A 59 -1.410 7.334 -5.851 1.00 0.00 C ATOM 833 CD2 LEU A 59 0.885 7.774 -4.959 1.00 0.00 C ATOM 0 H LEU A 59 -1.816 7.628 -2.301 1.00 0.00 H new ATOM 0 HA LEU A 59 0.335 9.459 -2.523 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.137 9.197 -4.270 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.594 9.888 -4.732 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.767 7.013 -3.843 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -1.069 6.359 -6.200 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.465 7.276 -5.585 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -1.276 8.070 -6.644 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.195 6.793 -5.320 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.074 8.521 -5.730 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.451 8.026 -4.062 1.00 0.00 H new ATOM 845 N ASP A 60 -0.550 11.781 -2.255 1.00 0.00 N ATOM 846 CA ASP A 60 -1.017 13.111 -1.881 1.00 0.00 C ATOM 847 C ASP A 60 -2.095 13.601 -2.841 1.00 0.00 C ATOM 848 O ASP A 60 -2.997 14.343 -2.453 1.00 0.00 O ATOM 849 CB ASP A 60 0.153 14.098 -1.863 1.00 0.00 C ATOM 850 CG ASP A 60 0.040 15.109 -0.740 1.00 0.00 C ATOM 851 OD1 ASP A 60 -0.481 14.745 0.337 1.00 0.00 O ATOM 852 OD2 ASP A 60 0.472 16.264 -0.935 1.00 0.00 O ATOM 0 H ASP A 60 0.432 11.739 -2.527 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.448 13.049 -0.882 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.088 13.547 -1.759 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.197 14.623 -2.817 1.00 0.00 H new ATOM 857 N GLU A 61 -1.996 13.178 -4.098 1.00 0.00 N ATOM 858 CA GLU A 61 -2.964 13.573 -5.115 1.00 0.00 C ATOM 859 C GLU A 61 -3.917 12.424 -5.434 1.00 0.00 C ATOM 860 O GLU A 61 -3.572 11.254 -5.263 1.00 0.00 O ATOM 861 CB GLU A 61 -2.243 14.021 -6.388 1.00 0.00 C ATOM 862 CG GLU A 61 -1.161 15.059 -6.141 1.00 0.00 C ATOM 863 CD GLU A 61 -0.016 14.953 -7.127 1.00 0.00 C ATOM 864 OE1 GLU A 61 0.565 13.853 -7.247 1.00 0.00 O ATOM 865 OE2 GLU A 61 0.303 15.969 -7.781 1.00 0.00 O ATOM 0 H GLU A 61 -1.256 12.563 -4.436 1.00 0.00 H new ATOM 0 HA GLU A 61 -3.547 14.407 -4.723 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.797 13.150 -6.868 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.974 14.430 -7.085 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -1.598 16.056 -6.203 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.775 14.943 -5.128 1.00 0.00 H new ATOM 872 N PRO A 62 -5.135 12.743 -5.904 1.00 0.00 N ATOM 873 CA PRO A 62 -6.140 11.730 -6.246 1.00 0.00 C ATOM 874 C PRO A 62 -5.742 10.912 -7.470 1.00 0.00 C ATOM 875 O PRO A 62 -6.028 11.294 -8.605 1.00 0.00 O ATOM 876 CB PRO A 62 -7.395 12.556 -6.541 1.00 0.00 C ATOM 877 CG PRO A 62 -6.884 13.898 -6.935 1.00 0.00 C ATOM 878 CD PRO A 62 -5.629 14.113 -6.138 1.00 0.00 C ATOM 0 HA PRO A 62 -6.273 11.002 -5.446 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -7.985 12.107 -7.340 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -8.041 12.620 -5.665 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -6.679 13.939 -8.005 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -7.619 14.674 -6.722 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -4.903 14.714 -6.686 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -5.832 14.633 -5.202 1.00 0.00 H new ATOM 886 N GLU A 63 -5.081 9.785 -7.232 1.00 0.00 N ATOM 887 CA GLU A 63 -4.643 8.911 -8.316 1.00 0.00 C ATOM 888 C GLU A 63 -4.581 7.458 -7.853 1.00 0.00 C ATOM 889 O GLU A 63 -3.763 6.677 -8.338 1.00 0.00 O ATOM 890 CB GLU A 63 -3.274 9.354 -8.834 1.00 0.00 C ATOM 891 CG GLU A 63 -3.350 10.322 -10.004 1.00 0.00 C ATOM 892 CD GLU A 63 -2.089 11.150 -10.158 1.00 0.00 C ATOM 893 OE1 GLU A 63 -0.990 10.557 -10.197 1.00 0.00 O ATOM 894 OE2 GLU A 63 -2.201 12.391 -10.241 1.00 0.00 O ATOM 0 H GLU A 63 -4.836 9.454 -6.299 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.370 8.984 -9.125 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.721 9.823 -8.020 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.707 8.474 -9.138 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.528 9.763 -10.923 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.202 10.987 -9.866 1.00 0.00 H new ATOM 901 N GLY A 64 -5.450 7.104 -6.912 1.00 0.00 N ATOM 902 CA GLY A 64 -5.476 5.746 -6.400 1.00 0.00 C ATOM 903 C GLY A 64 -6.624 4.935 -6.967 1.00 0.00 C ATOM 904 O GLY A 64 -7.406 5.434 -7.776 1.00 0.00 O ATOM 0 H GLY A 64 -6.136 7.733 -6.495 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.534 5.253 -6.639 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -5.555 5.772 -5.313 1.00 0.00 H new ATOM 908 N LYS A 65 -6.727 3.680 -6.541 1.00 0.00 N ATOM 909 CA LYS A 65 -7.788 2.798 -7.012 1.00 0.00 C ATOM 910 C LYS A 65 -8.524 2.154 -5.840 1.00 0.00 C ATOM 911 O LYS A 65 -9.097 1.073 -5.976 1.00 0.00 O ATOM 912 CB LYS A 65 -7.213 1.714 -7.924 1.00 0.00 C ATOM 913 CG LYS A 65 -7.160 2.115 -9.389 1.00 0.00 C ATOM 914 CD LYS A 65 -6.696 0.963 -10.266 1.00 0.00 C ATOM 915 CE LYS A 65 -6.882 1.276 -11.741 1.00 0.00 C ATOM 916 NZ LYS A 65 -8.316 1.226 -12.142 1.00 0.00 N ATOM 0 H LYS A 65 -6.089 3.251 -5.871 1.00 0.00 H new ATOM 0 HA LYS A 65 -8.499 3.400 -7.578 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.207 1.465 -7.588 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -7.815 0.811 -7.825 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.147 2.445 -9.713 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.484 2.962 -9.511 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.645 0.753 -10.067 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -7.254 0.062 -10.011 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -6.479 2.266 -11.956 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -6.313 0.564 -12.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.389 1.276 -13.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -8.739 0.337 -11.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -8.823 2.030 -11.720 1.00 0.00 H new ATOM 930 N ASN A 66 -8.505 2.822 -4.691 1.00 0.00 N ATOM 931 CA ASN A 66 -9.172 2.312 -3.498 1.00 0.00 C ATOM 932 C ASN A 66 -9.292 3.398 -2.434 1.00 0.00 C ATOM 933 O ASN A 66 -8.633 4.435 -2.515 1.00 0.00 O ATOM 934 CB ASN A 66 -8.407 1.113 -2.934 1.00 0.00 C ATOM 935 CG ASN A 66 -8.837 -0.197 -3.565 1.00 0.00 C ATOM 936 OD1 ASN A 66 -9.971 -0.642 -3.388 1.00 0.00 O ATOM 937 ND2 ASN A 66 -7.931 -0.822 -4.307 1.00 0.00 N ATOM 0 H ASN A 66 -8.035 3.718 -4.561 1.00 0.00 H new ATOM 0 HA ASN A 66 -10.175 1.994 -3.782 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -7.339 1.258 -3.097 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -8.561 1.062 -1.856 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -8.163 -1.707 -4.757 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -7.003 -0.417 -4.427 1.00 0.00 H new ATOM 944 N ASN A 67 -10.135 3.152 -1.437 1.00 0.00 N ATOM 945 CA ASN A 67 -10.341 4.108 -0.355 1.00 0.00 C ATOM 946 C ASN A 67 -9.804 3.562 0.964 1.00 0.00 C ATOM 947 O ASN A 67 -10.323 3.877 2.034 1.00 0.00 O ATOM 948 CB ASN A 67 -11.829 4.439 -0.216 1.00 0.00 C ATOM 949 CG ASN A 67 -12.662 3.221 0.131 1.00 0.00 C ATOM 950 OD1 ASN A 67 -13.001 2.997 1.294 1.00 0.00 O ATOM 951 ND2 ASN A 67 -12.997 2.426 -0.879 1.00 0.00 N ATOM 0 H ASN A 67 -10.687 2.298 -1.356 1.00 0.00 H new ATOM 0 HA ASN A 67 -9.794 5.019 -0.599 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -11.959 5.197 0.556 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -12.191 4.870 -1.149 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -13.557 1.591 -0.707 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -12.694 2.650 -1.827 1.00 0.00 H new ATOM 958 N GLY A 68 -8.761 2.741 0.878 1.00 0.00 N ATOM 959 CA GLY A 68 -8.172 2.165 2.071 1.00 0.00 C ATOM 960 C GLY A 68 -8.431 0.675 2.187 1.00 0.00 C ATOM 961 O GLY A 68 -7.496 -0.116 2.315 1.00 0.00 O ATOM 0 H GLY A 68 -8.314 2.465 0.003 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -7.097 2.344 2.064 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -8.573 2.670 2.950 1.00 0.00 H new ATOM 965 N SER A 69 -9.703 0.292 2.145 1.00 0.00 N ATOM 966 CA SER A 69 -10.081 -1.113 2.247 1.00 0.00 C ATOM 967 C SER A 69 -10.353 -1.708 0.869 1.00 0.00 C ATOM 968 O SER A 69 -10.827 -1.017 -0.033 1.00 0.00 O ATOM 969 CB SER A 69 -11.318 -1.265 3.135 1.00 0.00 C ATOM 970 OG SER A 69 -12.122 -0.099 3.095 1.00 0.00 O ATOM 0 H SER A 69 -10.489 0.934 2.041 1.00 0.00 H new ATOM 0 HA SER A 69 -9.249 -1.655 2.696 1.00 0.00 H new ATOM 0 HB2 SER A 69 -11.902 -2.124 2.806 1.00 0.00 H new ATOM 0 HB3 SER A 69 -11.010 -1.463 4.162 1.00 0.00 H new ATOM 0 HG SER A 69 -12.906 -0.223 3.669 1.00 0.00 H new ATOM 976 N VAL A 70 -10.050 -2.991 0.715 1.00 0.00 N ATOM 977 CA VAL A 70 -10.262 -3.682 -0.552 1.00 0.00 C ATOM 978 C VAL A 70 -11.166 -4.897 -0.368 1.00 0.00 C ATOM 979 O VAL A 70 -10.728 -5.942 0.112 1.00 0.00 O ATOM 980 CB VAL A 70 -8.928 -4.137 -1.175 1.00 0.00 C ATOM 981 CG1 VAL A 70 -9.156 -4.711 -2.565 1.00 0.00 C ATOM 982 CG2 VAL A 70 -7.937 -2.984 -1.223 1.00 0.00 C ATOM 0 H VAL A 70 -9.656 -3.575 1.452 1.00 0.00 H new ATOM 0 HA VAL A 70 -10.743 -2.972 -1.224 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.505 -4.921 -0.547 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.203 -5.027 -2.989 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.826 -5.568 -2.499 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -9.603 -3.950 -3.204 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.002 -3.326 -1.666 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -8.349 -2.175 -1.826 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.749 -2.624 -0.212 1.00 0.00 H new ATOM 992 N GLY A 71 -12.430 -4.751 -0.753 1.00 0.00 N ATOM 993 CA GLY A 71 -13.375 -5.845 -0.621 1.00 0.00 C ATOM 994 C GLY A 71 -13.804 -6.070 0.814 1.00 0.00 C ATOM 995 O GLY A 71 -14.486 -5.231 1.403 1.00 0.00 O ATOM 0 H GLY A 71 -12.816 -3.896 -1.153 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -14.254 -5.637 -1.231 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -12.925 -6.758 -1.010 1.00 0.00 H new ATOM 999 N ARG A 72 -13.404 -7.204 1.379 1.00 0.00 N ATOM 1000 CA ARG A 72 -13.752 -7.536 2.757 1.00 0.00 C ATOM 1001 C ARG A 72 -12.523 -7.471 3.663 1.00 0.00 C ATOM 1002 O ARG A 72 -12.505 -8.070 4.739 1.00 0.00 O ATOM 1003 CB ARG A 72 -14.379 -8.930 2.822 1.00 0.00 C ATOM 1004 CG ARG A 72 -15.689 -8.972 3.591 1.00 0.00 C ATOM 1005 CD ARG A 72 -16.212 -10.392 3.727 1.00 0.00 C ATOM 1006 NE ARG A 72 -15.955 -10.947 5.054 1.00 0.00 N ATOM 1007 CZ ARG A 72 -15.983 -12.248 5.332 1.00 0.00 C ATOM 1008 NH1 ARG A 72 -16.256 -13.132 4.380 1.00 0.00 N ATOM 1009 NH2 ARG A 72 -15.737 -12.668 6.565 1.00 0.00 N ATOM 0 H ARG A 72 -12.839 -7.909 0.905 1.00 0.00 H new ATOM 0 HA ARG A 72 -14.476 -6.802 3.110 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -14.551 -9.290 1.808 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -13.672 -9.616 3.288 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -15.544 -8.540 4.581 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -16.431 -8.358 3.081 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -17.284 -10.403 3.531 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -15.743 -11.024 2.973 1.00 0.00 H new ATOM 0 HE ARG A 72 -15.742 -10.299 5.812 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -16.446 -12.815 3.429 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -16.276 -14.128 4.599 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -15.526 -11.994 7.301 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -15.759 -13.665 6.778 1.00 0.00 H new ATOM 1023 N VAL A 73 -11.501 -6.743 3.225 1.00 0.00 N ATOM 1024 CA VAL A 73 -10.273 -6.603 3.998 1.00 0.00 C ATOM 1025 C VAL A 73 -9.882 -5.137 4.144 1.00 0.00 C ATOM 1026 O VAL A 73 -9.781 -4.410 3.156 1.00 0.00 O ATOM 1027 CB VAL A 73 -9.106 -7.372 3.348 1.00 0.00 C ATOM 1028 CG1 VAL A 73 -7.880 -7.345 4.248 1.00 0.00 C ATOM 1029 CG2 VAL A 73 -9.514 -8.803 3.032 1.00 0.00 C ATOM 0 H VAL A 73 -11.499 -6.240 2.337 1.00 0.00 H new ATOM 0 HA VAL A 73 -10.470 -7.025 4.983 1.00 0.00 H new ATOM 0 HB VAL A 73 -8.851 -6.878 2.410 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -7.067 -7.893 3.772 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -7.573 -6.312 4.414 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -8.120 -7.810 5.204 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -8.676 -9.328 2.574 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -9.801 -9.311 3.953 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -10.358 -8.797 2.343 1.00 0.00 H new ATOM 1039 N GLN A 74 -9.663 -4.707 5.382 1.00 0.00 N ATOM 1040 CA GLN A 74 -9.282 -3.325 5.656 1.00 0.00 C ATOM 1041 C GLN A 74 -7.813 -3.235 6.056 1.00 0.00 C ATOM 1042 O GLN A 74 -7.366 -3.921 6.976 1.00 0.00 O ATOM 1043 CB GLN A 74 -10.160 -2.741 6.763 1.00 0.00 C ATOM 1044 CG GLN A 74 -10.103 -1.225 6.850 1.00 0.00 C ATOM 1045 CD GLN A 74 -8.915 -0.731 7.653 1.00 0.00 C ATOM 1046 OE1 GLN A 74 -8.075 0.084 7.026 1.00 0.00 O flip ATOM 1047 NE2 GLN A 74 -8.755 -1.078 8.824 1.00 0.00 N flip ATOM 0 H GLN A 74 -9.743 -5.295 6.212 1.00 0.00 H new ATOM 0 HA GLN A 74 -9.428 -2.747 4.744 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -11.192 -3.048 6.596 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -9.852 -3.163 7.720 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -10.055 -0.809 5.844 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -11.023 -0.856 7.304 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -9.426 -1.706 9.266 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -7.951 -0.737 9.352 1.00 0.00 H new ATOM 1056 N TYR A 75 -7.067 -2.385 5.359 1.00 0.00 N ATOM 1057 CA TYR A 75 -5.647 -2.203 5.642 1.00 0.00 C ATOM 1058 C TYR A 75 -5.398 -0.865 6.331 1.00 0.00 C ATOM 1059 O TYR A 75 -4.931 -0.819 7.468 1.00 0.00 O ATOM 1060 CB TYR A 75 -4.833 -2.284 4.349 1.00 0.00 C ATOM 1061 CG TYR A 75 -5.254 -3.414 3.436 1.00 0.00 C ATOM 1062 CD1 TYR A 75 -6.336 -3.271 2.577 1.00 0.00 C ATOM 1063 CD2 TYR A 75 -4.569 -4.623 3.435 1.00 0.00 C ATOM 1064 CE1 TYR A 75 -6.724 -4.301 1.742 1.00 0.00 C ATOM 1065 CE2 TYR A 75 -4.951 -5.658 2.603 1.00 0.00 C ATOM 1066 CZ TYR A 75 -6.029 -5.492 1.758 1.00 0.00 C ATOM 1067 OH TYR A 75 -6.413 -6.520 0.928 1.00 0.00 O ATOM 0 H TYR A 75 -7.421 -1.811 4.594 1.00 0.00 H new ATOM 0 HA TYR A 75 -5.330 -3.002 6.313 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -4.926 -1.340 3.812 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -3.779 -2.405 4.600 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -6.883 -2.340 2.562 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -3.725 -4.756 4.095 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -7.568 -4.174 1.080 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -4.409 -6.592 2.614 1.00 0.00 H new ATOM 0 HH TYR A 75 -7.312 -6.342 0.581 1.00 0.00 H new ATOM 1077 N PHE A 76 -5.716 0.220 5.633 1.00 0.00 N ATOM 1078 CA PHE A 76 -5.529 1.560 6.177 1.00 0.00 C ATOM 1079 C PHE A 76 -6.692 2.468 5.795 1.00 0.00 C ATOM 1080 O PHE A 76 -7.308 2.294 4.743 1.00 0.00 O ATOM 1081 CB PHE A 76 -4.214 2.160 5.676 1.00 0.00 C ATOM 1082 CG PHE A 76 -4.117 2.224 4.178 1.00 0.00 C ATOM 1083 CD1 PHE A 76 -3.742 1.109 3.446 1.00 0.00 C ATOM 1084 CD2 PHE A 76 -4.402 3.400 3.502 1.00 0.00 C ATOM 1085 CE1 PHE A 76 -3.653 1.165 2.068 1.00 0.00 C ATOM 1086 CE2 PHE A 76 -4.314 3.462 2.125 1.00 0.00 C ATOM 1087 CZ PHE A 76 -3.939 2.343 1.406 1.00 0.00 C ATOM 0 H PHE A 76 -6.104 0.198 4.690 1.00 0.00 H new ATOM 0 HA PHE A 76 -5.493 1.481 7.264 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -4.104 3.165 6.083 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -3.384 1.568 6.061 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -3.517 0.185 3.958 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -4.696 4.278 4.058 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -3.360 0.288 1.509 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -4.538 4.385 1.610 1.00 0.00 H new ATOM 0 HZ PHE A 76 -3.870 2.389 0.329 1.00 0.00 H new ATOM 1097 N LYS A 77 -6.988 3.436 6.655 1.00 0.00 N ATOM 1098 CA LYS A 77 -8.078 4.371 6.406 1.00 0.00 C ATOM 1099 C LYS A 77 -7.578 5.600 5.654 1.00 0.00 C ATOM 1100 O LYS A 77 -6.680 6.303 6.118 1.00 0.00 O ATOM 1101 CB LYS A 77 -8.724 4.794 7.727 1.00 0.00 C ATOM 1102 CG LYS A 77 -9.876 5.771 7.555 1.00 0.00 C ATOM 1103 CD LYS A 77 -9.391 7.211 7.598 1.00 0.00 C ATOM 1104 CE LYS A 77 -10.106 8.071 6.567 1.00 0.00 C ATOM 1105 NZ LYS A 77 -11.445 8.514 7.044 1.00 0.00 N ATOM 0 H LYS A 77 -6.488 3.593 7.530 1.00 0.00 H new ATOM 0 HA LYS A 77 -8.823 3.868 5.789 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -9.086 3.906 8.246 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -7.965 5.248 8.364 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -10.377 5.582 6.606 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -10.613 5.610 8.342 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -9.556 7.622 8.594 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -8.317 7.240 7.415 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -9.496 8.944 6.337 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -10.219 7.508 5.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -11.899 9.097 6.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -12.037 7.681 7.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -11.336 9.073 7.914 1.00 0.00 H new ATOM 1119 N CYS A 78 -8.165 5.855 4.490 1.00 0.00 N ATOM 1120 CA CYS A 78 -7.780 7.000 3.672 1.00 0.00 C ATOM 1121 C CYS A 78 -8.983 7.562 2.920 1.00 0.00 C ATOM 1122 O CYS A 78 -10.113 7.116 3.116 1.00 0.00 O ATOM 1123 CB CYS A 78 -6.686 6.599 2.680 1.00 0.00 C ATOM 1124 SG CYS A 78 -7.195 5.335 1.491 1.00 0.00 S ATOM 0 H CYS A 78 -8.910 5.284 4.091 1.00 0.00 H new ATOM 0 HA CYS A 78 -7.395 7.775 4.335 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -6.362 7.486 2.135 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -5.823 6.233 3.236 1.00 0.00 H new ATOM 0 HG CYS A 78 -6.402 4.309 1.582 1.00 0.00 H new ATOM 1130 N ALA A 79 -8.730 8.543 2.059 1.00 0.00 N ATOM 1131 CA ALA A 79 -9.792 9.166 1.280 1.00 0.00 C ATOM 1132 C ALA A 79 -10.109 8.348 0.029 1.00 0.00 C ATOM 1133 O ALA A 79 -9.305 7.522 -0.402 1.00 0.00 O ATOM 1134 CB ALA A 79 -9.401 10.586 0.897 1.00 0.00 C ATOM 0 H ALA A 79 -7.800 8.923 1.884 1.00 0.00 H new ATOM 0 HA ALA A 79 -10.689 9.200 1.898 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.203 11.040 0.315 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.231 11.173 1.800 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.489 10.564 0.301 1.00 0.00 H new ATOM 1140 N PRO A 80 -11.293 8.567 -0.569 1.00 0.00 N ATOM 1141 CA PRO A 80 -11.715 7.846 -1.775 1.00 0.00 C ATOM 1142 C PRO A 80 -10.813 8.137 -2.969 1.00 0.00 C ATOM 1143 O PRO A 80 -10.441 9.285 -3.214 1.00 0.00 O ATOM 1144 CB PRO A 80 -13.135 8.369 -2.040 1.00 0.00 C ATOM 1145 CG PRO A 80 -13.564 9.007 -0.762 1.00 0.00 C ATOM 1146 CD PRO A 80 -12.311 9.528 -0.121 1.00 0.00 C ATOM 0 HA PRO A 80 -11.668 6.766 -1.634 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -13.143 9.087 -2.860 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -13.807 7.558 -2.320 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -14.273 9.814 -0.947 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -14.064 8.287 -0.114 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -12.081 10.542 -0.447 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -12.393 9.554 0.966 1.00 0.00 H new ATOM 1154 N LYS A 81 -10.467 7.090 -3.712 1.00 0.00 N ATOM 1155 CA LYS A 81 -9.610 7.234 -4.884 1.00 0.00 C ATOM 1156 C LYS A 81 -8.261 7.837 -4.508 1.00 0.00 C ATOM 1157 O LYS A 81 -7.724 8.682 -5.225 1.00 0.00 O ATOM 1158 CB LYS A 81 -10.297 8.106 -5.938 1.00 0.00 C ATOM 1159 CG LYS A 81 -11.722 7.677 -6.247 1.00 0.00 C ATOM 1160 CD LYS A 81 -12.199 8.244 -7.574 1.00 0.00 C ATOM 1161 CE LYS A 81 -12.097 7.215 -8.690 1.00 0.00 C ATOM 1162 NZ LYS A 81 -12.846 5.969 -8.367 1.00 0.00 N ATOM 0 H LYS A 81 -10.767 6.133 -3.523 1.00 0.00 H new ATOM 0 HA LYS A 81 -9.436 6.241 -5.298 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.304 9.140 -5.593 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.711 8.080 -6.857 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -11.778 6.589 -6.274 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -12.385 8.010 -5.448 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -13.233 8.577 -7.478 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -11.604 9.121 -7.831 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -12.485 7.643 -9.614 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -11.049 6.973 -8.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -13.218 5.551 -9.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -12.208 5.291 -7.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -13.635 6.194 -7.728 1.00 0.00 H new ATOM 1176 N TYR A 82 -7.715 7.397 -3.379 1.00 0.00 N ATOM 1177 CA TYR A 82 -6.427 7.893 -2.909 1.00 0.00 C ATOM 1178 C TYR A 82 -5.517 6.738 -2.499 1.00 0.00 C ATOM 1179 O TYR A 82 -4.341 6.704 -2.861 1.00 0.00 O ATOM 1180 CB TYR A 82 -6.621 8.848 -1.730 1.00 0.00 C ATOM 1181 CG TYR A 82 -6.805 10.291 -2.143 1.00 0.00 C ATOM 1182 CD1 TYR A 82 -5.717 11.072 -2.513 1.00 0.00 C ATOM 1183 CD2 TYR A 82 -8.067 10.872 -2.162 1.00 0.00 C ATOM 1184 CE1 TYR A 82 -5.882 12.391 -2.889 1.00 0.00 C ATOM 1185 CE2 TYR A 82 -8.239 12.190 -2.538 1.00 0.00 C ATOM 1186 CZ TYR A 82 -7.145 12.946 -2.901 1.00 0.00 C ATOM 1187 OH TYR A 82 -7.312 14.259 -3.275 1.00 0.00 O ATOM 0 H TYR A 82 -8.144 6.698 -2.773 1.00 0.00 H new ATOM 0 HA TYR A 82 -5.954 8.433 -3.729 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -7.491 8.530 -1.155 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -5.758 8.775 -1.069 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -4.727 10.641 -2.507 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -8.927 10.284 -1.878 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -5.026 12.985 -3.172 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -9.227 12.626 -2.548 1.00 0.00 H new ATOM 0 HH TYR A 82 -8.262 14.494 -3.230 1.00 0.00 H new ATOM 1197 N GLY A 83 -6.070 5.796 -1.743 1.00 0.00 N ATOM 1198 CA GLY A 83 -5.295 4.653 -1.297 1.00 0.00 C ATOM 1199 C GLY A 83 -5.035 3.659 -2.413 1.00 0.00 C ATOM 1200 O GLY A 83 -5.962 3.233 -3.102 1.00 0.00 O ATOM 0 H GLY A 83 -7.041 5.803 -1.431 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.343 4.998 -0.893 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.824 4.153 -0.485 1.00 0.00 H new ATOM 1204 N ILE A 84 -3.771 3.289 -2.591 1.00 0.00 N ATOM 1205 CA ILE A 84 -3.392 2.341 -3.631 1.00 0.00 C ATOM 1206 C ILE A 84 -2.415 1.300 -3.094 1.00 0.00 C ATOM 1207 O ILE A 84 -1.705 1.545 -2.118 1.00 0.00 O ATOM 1208 CB ILE A 84 -2.758 3.059 -4.840 1.00 0.00 C ATOM 1209 CG1 ILE A 84 -2.458 2.060 -5.960 1.00 0.00 C ATOM 1210 CG2 ILE A 84 -1.492 3.791 -4.420 1.00 0.00 C ATOM 1211 CD1 ILE A 84 -2.211 2.714 -7.302 1.00 0.00 C ATOM 0 H ILE A 84 -2.992 3.632 -2.028 1.00 0.00 H new ATOM 0 HA ILE A 84 -4.305 1.841 -3.956 1.00 0.00 H new ATOM 0 HB ILE A 84 -3.469 3.793 -5.218 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.583 1.470 -5.686 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.294 1.366 -6.051 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.057 4.292 -5.285 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -1.735 4.530 -3.657 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -0.775 3.076 -4.017 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -2.005 1.947 -8.048 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -3.094 3.281 -7.598 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.356 3.386 -7.227 1.00 0.00 H new ATOM 1223 N PHE A 85 -2.384 0.137 -3.738 1.00 0.00 N ATOM 1224 CA PHE A 85 -1.493 -0.942 -3.325 1.00 0.00 C ATOM 1225 C PHE A 85 -0.550 -1.335 -4.458 1.00 0.00 C ATOM 1226 O PHE A 85 -0.988 -1.617 -5.574 1.00 0.00 O ATOM 1227 CB PHE A 85 -2.307 -2.159 -2.878 1.00 0.00 C ATOM 1228 CG PHE A 85 -3.216 -1.878 -1.716 1.00 0.00 C ATOM 1229 CD1 PHE A 85 -4.271 -0.990 -1.844 1.00 0.00 C ATOM 1230 CD2 PHE A 85 -3.015 -2.504 -0.496 1.00 0.00 C ATOM 1231 CE1 PHE A 85 -5.109 -0.730 -0.775 1.00 0.00 C ATOM 1232 CE2 PHE A 85 -3.850 -2.249 0.575 1.00 0.00 C ATOM 1233 CZ PHE A 85 -4.899 -1.361 0.436 1.00 0.00 C ATOM 0 H PHE A 85 -2.965 -0.082 -4.547 1.00 0.00 H new ATOM 0 HA PHE A 85 -0.894 -0.585 -2.487 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -2.904 -2.515 -3.718 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -1.624 -2.964 -2.608 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -4.441 -0.495 -2.789 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -2.196 -3.199 -0.381 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -5.927 -0.034 -0.887 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -3.683 -2.744 1.520 1.00 0.00 H new ATOM 0 HZ PHE A 85 -5.553 -1.161 1.272 1.00 0.00 H new ATOM 1243 N ALA A 86 0.746 -1.350 -4.163 1.00 0.00 N ATOM 1244 CA ALA A 86 1.751 -1.710 -5.155 1.00 0.00 C ATOM 1245 C ALA A 86 2.739 -2.727 -4.592 1.00 0.00 C ATOM 1246 O ALA A 86 2.980 -2.768 -3.385 1.00 0.00 O ATOM 1247 CB ALA A 86 2.486 -0.468 -5.635 1.00 0.00 C ATOM 0 H ALA A 86 1.124 -1.117 -3.245 1.00 0.00 H new ATOM 0 HA ALA A 86 1.242 -2.168 -6.003 1.00 0.00 H new ATOM 0 HB1 ALA A 86 3.234 -0.751 -6.376 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.775 0.225 -6.084 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.977 0.014 -4.789 1.00 0.00 H new ATOM 1253 N PRO A 87 3.327 -3.569 -5.461 1.00 0.00 N ATOM 1254 CA PRO A 87 4.292 -4.591 -5.042 1.00 0.00 C ATOM 1255 C PRO A 87 5.461 -3.998 -4.263 1.00 0.00 C ATOM 1256 O PRO A 87 6.213 -3.176 -4.782 1.00 0.00 O ATOM 1257 CB PRO A 87 4.779 -5.193 -6.364 1.00 0.00 C ATOM 1258 CG PRO A 87 3.692 -4.903 -7.340 1.00 0.00 C ATOM 1259 CD PRO A 87 3.096 -3.590 -6.917 1.00 0.00 C ATOM 0 HA PRO A 87 3.842 -5.321 -4.370 1.00 0.00 H new ATOM 0 HB2 PRO A 87 5.722 -4.746 -6.678 1.00 0.00 H new ATOM 0 HB3 PRO A 87 4.950 -6.265 -6.271 1.00 0.00 H new ATOM 0 HG2 PRO A 87 4.084 -4.844 -8.355 1.00 0.00 H new ATOM 0 HG3 PRO A 87 2.941 -5.693 -7.334 1.00 0.00 H new ATOM 0 HD2 PRO A 87 3.580 -2.749 -7.414 1.00 0.00 H new ATOM 0 HD3 PRO A 87 2.034 -3.534 -7.157 1.00 0.00 H new ATOM 1267 N LEU A 88 5.603 -4.422 -3.007 1.00 0.00 N ATOM 1268 CA LEU A 88 6.681 -3.935 -2.154 1.00 0.00 C ATOM 1269 C LEU A 88 8.007 -4.013 -2.892 1.00 0.00 C ATOM 1270 O LEU A 88 8.789 -3.062 -2.899 1.00 0.00 O ATOM 1271 CB LEU A 88 6.749 -4.750 -0.861 1.00 0.00 C ATOM 1272 CG LEU A 88 7.274 -3.988 0.357 1.00 0.00 C ATOM 1273 CD1 LEU A 88 6.372 -2.804 0.673 1.00 0.00 C ATOM 1274 CD2 LEU A 88 7.382 -4.914 1.559 1.00 0.00 C ATOM 0 H LEU A 88 4.985 -5.100 -2.561 1.00 0.00 H new ATOM 0 HA LEU A 88 6.479 -2.895 -1.899 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.751 -5.126 -0.633 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.386 -5.618 -1.030 1.00 0.00 H new ATOM 0 HG LEU A 88 8.270 -3.610 0.125 1.00 0.00 H new ATOM 0 HD11 LEU A 88 6.760 -2.273 1.542 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.345 -2.129 -0.182 1.00 0.00 H new ATOM 0 HD13 LEU A 88 5.364 -3.161 0.886 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.757 -4.355 2.416 1.00 0.00 H new ATOM 0 HD22 LEU A 88 6.399 -5.322 1.794 1.00 0.00 H new ATOM 0 HD23 LEU A 88 8.068 -5.730 1.329 1.00 0.00 H new ATOM 1286 N SER A 89 8.238 -5.152 -3.535 1.00 0.00 N ATOM 1287 CA SER A 89 9.453 -5.359 -4.306 1.00 0.00 C ATOM 1288 C SER A 89 9.593 -4.262 -5.353 1.00 0.00 C ATOM 1289 O SER A 89 10.698 -3.946 -5.794 1.00 0.00 O ATOM 1290 CB SER A 89 9.431 -6.732 -4.980 1.00 0.00 C ATOM 1291 OG SER A 89 10.716 -7.329 -4.961 1.00 0.00 O ATOM 0 H SER A 89 7.597 -5.946 -3.536 1.00 0.00 H new ATOM 0 HA SER A 89 10.308 -5.320 -3.632 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.718 -7.380 -4.470 1.00 0.00 H new ATOM 0 HB3 SER A 89 9.089 -6.630 -6.010 1.00 0.00 H new ATOM 0 HG SER A 89 10.676 -8.206 -5.396 1.00 0.00 H new ATOM 1297 N LYS A 90 8.461 -3.670 -5.734 1.00 0.00 N ATOM 1298 CA LYS A 90 8.459 -2.593 -6.714 1.00 0.00 C ATOM 1299 C LYS A 90 8.521 -1.235 -6.019 1.00 0.00 C ATOM 1300 O LYS A 90 8.757 -0.212 -6.661 1.00 0.00 O ATOM 1301 CB LYS A 90 7.211 -2.673 -7.596 1.00 0.00 C ATOM 1302 CG LYS A 90 7.300 -3.734 -8.682 1.00 0.00 C ATOM 1303 CD LYS A 90 6.735 -3.230 -10.001 1.00 0.00 C ATOM 1304 CE LYS A 90 6.609 -4.353 -11.018 1.00 0.00 C ATOM 1305 NZ LYS A 90 5.567 -4.062 -12.040 1.00 0.00 N ATOM 0 H LYS A 90 7.538 -3.920 -5.378 1.00 0.00 H new ATOM 0 HA LYS A 90 9.342 -2.704 -7.344 1.00 0.00 H new ATOM 0 HB2 LYS A 90 6.345 -2.880 -6.968 1.00 0.00 H new ATOM 0 HB3 LYS A 90 7.042 -1.702 -8.061 1.00 0.00 H new ATOM 0 HG2 LYS A 90 8.340 -4.029 -8.820 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.755 -4.624 -8.368 1.00 0.00 H new ATOM 0 HD2 LYS A 90 5.757 -2.780 -9.831 1.00 0.00 H new ATOM 0 HD3 LYS A 90 7.381 -2.447 -10.399 1.00 0.00 H new ATOM 0 HE2 LYS A 90 7.569 -4.505 -11.511 1.00 0.00 H new ATOM 0 HE3 LYS A 90 6.364 -5.282 -10.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 5.512 -4.852 -12.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 4.646 -3.942 -11.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 5.814 -3.189 -12.548 1.00 0.00 H new ATOM 1319 N ILE A 91 8.309 -1.230 -4.703 1.00 0.00 N ATOM 1320 CA ILE A 91 8.344 0.005 -3.930 1.00 0.00 C ATOM 1321 C ILE A 91 9.670 0.152 -3.191 1.00 0.00 C ATOM 1322 O ILE A 91 10.195 -0.817 -2.639 1.00 0.00 O ATOM 1323 CB ILE A 91 7.190 0.064 -2.910 1.00 0.00 C ATOM 1324 CG1 ILE A 91 5.852 -0.193 -3.605 1.00 0.00 C ATOM 1325 CG2 ILE A 91 7.173 1.412 -2.202 1.00 0.00 C ATOM 1326 CD1 ILE A 91 4.737 -0.566 -2.652 1.00 0.00 C ATOM 0 H ILE A 91 8.112 -2.067 -4.154 1.00 0.00 H new ATOM 0 HA ILE A 91 8.233 0.825 -4.639 1.00 0.00 H new ATOM 0 HB ILE A 91 7.347 -0.714 -2.163 1.00 0.00 H new ATOM 0 HG12 ILE A 91 5.562 0.700 -4.159 1.00 0.00 H new ATOM 0 HG13 ILE A 91 5.978 -0.993 -4.334 1.00 0.00 H new ATOM 0 HG21 ILE A 91 6.352 1.436 -1.485 1.00 0.00 H new ATOM 0 HG22 ILE A 91 8.117 1.559 -1.677 1.00 0.00 H new ATOM 0 HG23 ILE A 91 7.038 2.207 -2.936 1.00 0.00 H new ATOM 0 HD11 ILE A 91 3.818 -0.734 -3.214 1.00 0.00 H new ATOM 0 HD12 ILE A 91 5.006 -1.476 -2.116 1.00 0.00 H new ATOM 0 HD13 ILE A 91 4.583 0.243 -1.938 1.00 0.00 H new ATOM 1338 N SER A 92 10.209 1.366 -3.186 1.00 0.00 N ATOM 1339 CA SER A 92 11.476 1.638 -2.516 1.00 0.00 C ATOM 1340 C SER A 92 11.375 2.884 -1.642 1.00 0.00 C ATOM 1341 O SER A 92 10.324 3.521 -1.569 1.00 0.00 O ATOM 1342 CB SER A 92 12.593 1.811 -3.545 1.00 0.00 C ATOM 1343 OG SER A 92 13.800 1.221 -3.093 1.00 0.00 O ATOM 0 H SER A 92 9.789 2.178 -3.638 1.00 0.00 H new ATOM 0 HA SER A 92 11.709 0.787 -1.876 1.00 0.00 H new ATOM 0 HB2 SER A 92 12.294 1.357 -4.490 1.00 0.00 H new ATOM 0 HB3 SER A 92 12.753 2.872 -3.737 1.00 0.00 H new ATOM 0 HG SER A 92 14.498 1.344 -3.770 1.00 0.00 H new ATOM 1349 N LYS A 93 12.477 3.227 -0.982 1.00 0.00 N ATOM 1350 CA LYS A 93 12.516 4.397 -0.114 1.00 0.00 C ATOM 1351 C LYS A 93 12.455 5.684 -0.931 1.00 0.00 C ATOM 1352 O LYS A 93 12.684 5.674 -2.140 1.00 0.00 O ATOM 1353 CB LYS A 93 13.786 4.381 0.740 1.00 0.00 C ATOM 1354 CG LYS A 93 13.571 4.872 2.163 1.00 0.00 C ATOM 1355 CD LYS A 93 14.780 5.638 2.678 1.00 0.00 C ATOM 1356 CE LYS A 93 15.239 5.116 4.031 1.00 0.00 C ATOM 1357 NZ LYS A 93 16.468 4.283 3.919 1.00 0.00 N ATOM 0 H LYS A 93 13.355 2.710 -1.032 1.00 0.00 H new ATOM 0 HA LYS A 93 11.645 4.362 0.540 1.00 0.00 H new ATOM 0 HB2 LYS A 93 14.180 3.365 0.771 1.00 0.00 H new ATOM 0 HB3 LYS A 93 14.543 5.002 0.261 1.00 0.00 H new ATOM 0 HG2 LYS A 93 12.691 5.514 2.198 1.00 0.00 H new ATOM 0 HG3 LYS A 93 13.372 4.022 2.816 1.00 0.00 H new ATOM 0 HD2 LYS A 93 15.596 5.556 1.960 1.00 0.00 H new ATOM 0 HD3 LYS A 93 14.533 6.696 2.761 1.00 0.00 H new ATOM 0 HE2 LYS A 93 15.430 5.957 4.698 1.00 0.00 H new ATOM 0 HE3 LYS A 93 14.441 4.526 4.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 16.747 3.947 4.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 16.279 3.467 3.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 17.238 4.852 3.513 1.00 0.00 H new ATOM 1371 N LEU A 94 12.144 6.790 -0.263 1.00 0.00 N ATOM 1372 CA LEU A 94 12.053 8.085 -0.927 1.00 0.00 C ATOM 1373 C LEU A 94 13.277 8.942 -0.619 1.00 0.00 C ATOM 1374 O LEU A 94 13.705 9.039 0.530 1.00 0.00 O ATOM 1375 CB LEU A 94 10.781 8.817 -0.492 1.00 0.00 C ATOM 1376 CG LEU A 94 10.288 9.891 -1.463 1.00 0.00 C ATOM 1377 CD1 LEU A 94 9.501 9.261 -2.602 1.00 0.00 C ATOM 1378 CD2 LEU A 94 9.438 10.919 -0.732 1.00 0.00 C ATOM 0 H LEU A 94 11.951 6.815 0.738 1.00 0.00 H new ATOM 0 HA LEU A 94 12.014 7.912 -2.002 1.00 0.00 H new ATOM 0 HB2 LEU A 94 9.987 8.083 -0.353 1.00 0.00 H new ATOM 0 HB3 LEU A 94 10.961 9.281 0.478 1.00 0.00 H new ATOM 0 HG LEU A 94 11.156 10.398 -1.885 1.00 0.00 H new ATOM 0 HD11 LEU A 94 9.158 10.041 -3.282 1.00 0.00 H new ATOM 0 HD12 LEU A 94 10.140 8.562 -3.143 1.00 0.00 H new ATOM 0 HD13 LEU A 94 8.640 8.728 -2.198 1.00 0.00 H new ATOM 0 HD21 LEU A 94 9.095 11.676 -1.438 1.00 0.00 H new ATOM 0 HD22 LEU A 94 8.576 10.425 -0.283 1.00 0.00 H new ATOM 0 HD23 LEU A 94 10.032 11.393 0.049 1.00 0.00 H new