USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 620 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 Single : 1 23 TYR OH : rot 100:sc= -1.74 USER MOD Single : 1 25 HIS : no HD1:sc= -0.345 X(o=-0.35,f=-0.12) USER MOD Single : 1 27 THR OG1 : rot 60:sc= 0.0398 USER MOD Single : 1 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 32 ASN : amide:sc= -2.25 K(o=-2.2,f=-0.25) USER MOD Single : 1 33 ASN : amide:sc= -0.0511 K(o=-0.051,f=-1.7!) USER MOD Single : 1 37 CYS SG : rot 180:sc= -0.145 USER MOD Single : 1 40 SER OG : rot 111:sc= 0.377 USER MOD Single : 1 50 LYS NZ :NH3+ -151:sc= -1.03 (180deg=-1.67) USER MOD Single : 1 53 GLN : amide:sc= -11.3! C(o=-11!,f=-16!) USER MOD Single : 1 58 THR OG1 : rot -34:sc= 0 USER MOD Single : 2 23 TYR OH : rot -130:sc= -1.55 USER MOD Single : 2 25 HIS : no HD1:sc= -0.201 X(o=-0.2,f=0) USER MOD Single : 2 27 THR OG1 : rot 63:sc= 0.00419 USER MOD Single : 2 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 2 32 ASN : amide:sc= -1.34 K(o=-1.3,f=-0.15) USER MOD Single : 2 33 ASN : amide:sc= -0.0348 X(o=-0.035,f=-0.2) USER MOD Single : 2 37 CYS SG : rot 180:sc= -0.0225 USER MOD Single : 2 40 SER OG : rot 180:sc= 0 USER MOD Single : 2 50 LYS NZ :NH3+ 146:sc= 0.469 (180deg=0.0328) USER MOD Single : 2 53 GLN : amide:sc= -11.9! C(o=-12!,f=-18!) USER MOD Single : 2 58 THR OG1 : rot 180:sc= -1.25 USER MOD ----------------------------------------------------------------- ATOM 228 N ASP 1 17 1.827 -16.377 -2.524 1.00 0.00 N ATOM 229 CA ASP 1 17 0.790 -15.611 -3.195 1.00 0.00 C ATOM 230 C ASP 1 17 1.126 -14.120 -3.107 1.00 0.00 C ATOM 231 O ASP 1 17 0.722 -13.337 -3.965 1.00 0.00 O ATOM 232 CB ASP 1 17 -0.571 -15.829 -2.534 1.00 0.00 C ATOM 233 CG ASP 1 17 -1.773 -15.367 -3.360 1.00 0.00 C ATOM 234 OD1 ASP 1 17 -1.743 -15.606 -4.587 1.00 0.00 O ATOM 235 OD2 ASP 1 17 -2.695 -14.787 -2.747 1.00 0.00 O ATOM 0 HA ASP 1 17 0.744 -15.943 -4.232 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 -0.686 -16.891 -2.316 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 -0.582 -15.304 -1.579 1.00 0.00 H new ATOM 240 N ARG 1 18 1.862 -13.774 -2.060 1.00 0.00 N ATOM 241 CA ARG 1 18 2.256 -12.391 -1.849 1.00 0.00 C ATOM 242 C ARG 1 18 2.845 -11.805 -3.134 1.00 0.00 C ATOM 243 O ARG 1 18 3.013 -12.514 -4.125 1.00 0.00 O ATOM 244 CB ARG 1 18 3.289 -12.279 -0.725 1.00 0.00 C ATOM 245 CG ARG 1 18 2.775 -12.934 0.558 1.00 0.00 C ATOM 246 CD ARG 1 18 3.907 -13.646 1.301 1.00 0.00 C ATOM 247 NE ARG 1 18 3.433 -14.107 2.625 1.00 0.00 N ATOM 248 CZ ARG 1 18 4.231 -14.305 3.682 1.00 0.00 C ATOM 249 NH1 ARG 1 18 5.548 -14.082 3.578 1.00 0.00 N ATOM 250 NH2 ARG 1 18 3.713 -14.724 4.845 1.00 0.00 N ATOM 0 H ARG 1 18 2.195 -14.426 -1.350 1.00 0.00 H new ATOM 0 HA ARG 1 18 1.365 -11.831 -1.566 1.00 0.00 H new ATOM 0 HB2 ARG 1 18 4.220 -12.755 -1.033 1.00 0.00 H new ATOM 0 HB3 ARG 1 18 3.515 -11.229 -0.537 1.00 0.00 H new ATOM 0 HG2 ARG 1 18 2.331 -12.177 1.204 1.00 0.00 H new ATOM 0 HG3 ARG 1 18 1.988 -13.648 0.316 1.00 0.00 H new ATOM 0 HD2 ARG 1 18 4.259 -14.495 0.716 1.00 0.00 H new ATOM 0 HD3 ARG 1 18 4.754 -12.971 1.424 1.00 0.00 H new ATOM 0 HE ARG 1 18 2.435 -14.285 2.740 1.00 0.00 H new ATOM 0 HH11 ARG 1 18 5.943 -13.761 2.694 1.00 0.00 H new ATOM 0 HH12 ARG 1 18 6.156 -14.233 4.383 1.00 0.00 H new ATOM 0 HH21 ARG 1 18 2.710 -14.892 4.925 1.00 0.00 H new ATOM 0 HH22 ARG 1 18 4.322 -14.875 5.650 1.00 0.00 H new ATOM 264 N VAL 1 19 3.143 -10.515 -3.075 1.00 0.00 N ATOM 265 CA VAL 1 19 3.709 -9.825 -4.221 1.00 0.00 C ATOM 266 C VAL 1 19 5.183 -9.516 -3.948 1.00 0.00 C ATOM 267 O VAL 1 19 5.777 -8.667 -4.613 1.00 0.00 O ATOM 268 CB VAL 1 19 2.885 -8.575 -4.539 1.00 0.00 C ATOM 269 CG1 VAL 1 19 3.498 -7.797 -5.706 1.00 0.00 C ATOM 270 CG2 VAL 1 19 1.427 -8.938 -4.827 1.00 0.00 C ATOM 0 H VAL 1 19 3.003 -9.930 -2.251 1.00 0.00 H new ATOM 0 HA VAL 1 19 3.668 -10.459 -5.107 1.00 0.00 H new ATOM 0 HB VAL 1 19 2.902 -7.930 -3.661 1.00 0.00 H new ATOM 0 HG11 VAL 1 19 2.894 -6.914 -5.912 1.00 0.00 H new ATOM 0 HG12 VAL 1 19 4.512 -7.491 -5.447 1.00 0.00 H new ATOM 0 HG13 VAL 1 19 3.526 -8.432 -6.592 1.00 0.00 H new ATOM 0 HG21 VAL 1 19 0.864 -8.032 -5.050 1.00 0.00 H new ATOM 0 HG22 VAL 1 19 1.382 -9.613 -5.682 1.00 0.00 H new ATOM 0 HG23 VAL 1 19 0.995 -9.428 -3.955 1.00 0.00 H new ATOM 280 N ASP 1 20 5.731 -10.221 -2.970 1.00 0.00 N ATOM 281 CA ASP 1 20 7.123 -10.032 -2.600 1.00 0.00 C ATOM 282 C ASP 1 20 7.501 -8.561 -2.785 1.00 0.00 C ATOM 283 O ASP 1 20 7.975 -8.168 -3.851 1.00 0.00 O ATOM 284 CB ASP 1 20 8.046 -10.873 -3.486 1.00 0.00 C ATOM 285 CG ASP 1 20 9.463 -10.321 -3.649 1.00 0.00 C ATOM 286 OD1 ASP 1 20 10.164 -10.241 -2.616 1.00 0.00 O ATOM 287 OD2 ASP 1 20 9.815 -9.992 -4.803 1.00 0.00 O ATOM 0 H ASP 1 20 5.236 -10.925 -2.422 1.00 0.00 H new ATOM 0 HA ASP 1 20 7.241 -10.339 -1.561 1.00 0.00 H new ATOM 0 HB2 ASP 1 20 8.109 -11.878 -3.069 1.00 0.00 H new ATOM 0 HB3 ASP 1 20 7.592 -10.966 -4.473 1.00 0.00 H new ATOM 292 N CYS 1 21 7.278 -7.790 -1.732 1.00 0.00 N ATOM 293 CA CYS 1 21 7.589 -6.371 -1.764 1.00 0.00 C ATOM 294 C CYS 1 21 9.022 -6.205 -2.277 1.00 0.00 C ATOM 295 O CYS 1 21 9.319 -5.258 -3.005 1.00 0.00 O ATOM 296 CB CYS 1 21 7.393 -5.717 -0.396 1.00 0.00 C ATOM 297 SG CYS 1 21 6.699 -4.025 -0.445 1.00 0.00 S ATOM 0 H CYS 1 21 6.885 -8.121 -0.851 1.00 0.00 H new ATOM 0 HA CYS 1 21 6.901 -5.861 -2.438 1.00 0.00 H new ATOM 0 HB2 CYS 1 21 6.734 -6.347 0.201 1.00 0.00 H new ATOM 0 HB3 CYS 1 21 8.354 -5.685 0.117 1.00 0.00 H new ATOM 302 N GLY 1 22 9.871 -7.139 -1.878 1.00 0.00 N ATOM 303 CA GLY 1 22 11.265 -7.109 -2.287 1.00 0.00 C ATOM 304 C GLY 1 22 11.886 -5.737 -2.015 1.00 0.00 C ATOM 305 O GLY 1 22 12.322 -5.055 -2.942 1.00 0.00 O ATOM 0 H GLY 1 22 9.621 -7.923 -1.275 1.00 0.00 H new ATOM 0 HA2 GLY 1 22 11.822 -7.877 -1.750 1.00 0.00 H new ATOM 0 HA3 GLY 1 22 11.341 -7.343 -3.349 1.00 0.00 H new ATOM 309 N TYR 1 23 11.906 -5.374 -0.742 1.00 0.00 N ATOM 310 CA TYR 1 23 12.466 -4.095 -0.336 1.00 0.00 C ATOM 311 C TYR 1 23 13.945 -4.237 0.029 1.00 0.00 C ATOM 312 O TYR 1 23 14.347 -5.228 0.635 1.00 0.00 O ATOM 313 CB TYR 1 23 11.685 -3.668 0.908 1.00 0.00 C ATOM 314 CG TYR 1 23 10.797 -2.440 0.693 1.00 0.00 C ATOM 315 CD1 TYR 1 23 11.340 -1.174 0.774 1.00 0.00 C ATOM 316 CD2 TYR 1 23 9.454 -2.599 0.419 1.00 0.00 C ATOM 317 CE1 TYR 1 23 10.505 -0.018 0.572 1.00 0.00 C ATOM 318 CE2 TYR 1 23 8.618 -1.443 0.218 1.00 0.00 C ATOM 319 CZ TYR 1 23 9.185 -0.209 0.304 1.00 0.00 C ATOM 320 OH TYR 1 23 8.397 0.881 0.114 1.00 0.00 O ATOM 0 H TYR 1 23 11.543 -5.943 0.023 1.00 0.00 H new ATOM 0 HA TYR 1 23 12.392 -3.369 -1.145 1.00 0.00 H new ATOM 0 HB2 TYR 1 23 11.063 -4.500 1.238 1.00 0.00 H new ATOM 0 HB3 TYR 1 23 12.390 -3.458 1.713 1.00 0.00 H new ATOM 0 HD1 TYR 1 23 12.391 -1.050 0.989 1.00 0.00 H new ATOM 0 HD2 TYR 1 23 9.030 -3.590 0.355 1.00 0.00 H new ATOM 0 HE1 TYR 1 23 10.918 0.978 0.632 1.00 0.00 H new ATOM 0 HE2 TYR 1 23 7.565 -1.553 0.004 1.00 0.00 H new ATOM 0 HH TYR 1 23 8.265 1.026 -0.846 1.00 0.00 H new ATOM 330 N PRO 1 24 14.735 -3.203 -0.366 1.00 0.00 N ATOM 331 CA PRO 1 24 16.161 -3.202 -0.087 1.00 0.00 C ATOM 332 C PRO 1 24 16.431 -2.891 1.387 1.00 0.00 C ATOM 333 O PRO 1 24 17.578 -2.913 1.830 1.00 0.00 O ATOM 334 CB PRO 1 24 16.746 -2.162 -1.029 1.00 0.00 C ATOM 335 CG PRO 1 24 15.578 -1.294 -1.468 1.00 0.00 C ATOM 336 CD PRO 1 24 14.294 -2.011 -1.085 1.00 0.00 C ATOM 0 HA PRO 1 24 16.622 -4.175 -0.253 1.00 0.00 H new ATOM 0 HB2 PRO 1 24 17.509 -1.566 -0.528 1.00 0.00 H new ATOM 0 HB3 PRO 1 24 17.224 -2.636 -1.886 1.00 0.00 H new ATOM 0 HG2 PRO 1 24 15.627 -0.317 -0.988 1.00 0.00 H new ATOM 0 HG3 PRO 1 24 15.613 -1.123 -2.544 1.00 0.00 H new ATOM 0 HD2 PRO 1 24 13.661 -1.382 -0.459 1.00 0.00 H new ATOM 0 HD3 PRO 1 24 13.709 -2.274 -1.967 1.00 0.00 H new ATOM 344 N HIS 1 25 15.355 -2.608 2.106 1.00 0.00 N ATOM 345 CA HIS 1 25 15.461 -2.294 3.521 1.00 0.00 C ATOM 346 C HIS 1 25 14.506 -3.186 4.318 1.00 0.00 C ATOM 347 O HIS 1 25 14.184 -2.886 5.466 1.00 0.00 O ATOM 348 CB HIS 1 25 15.222 -0.802 3.765 1.00 0.00 C ATOM 349 CG HIS 1 25 16.400 -0.084 4.378 1.00 0.00 C ATOM 350 ND1 HIS 1 25 16.678 1.249 4.130 1.00 0.00 N ATOM 351 CD2 HIS 1 25 17.369 -0.526 5.231 1.00 0.00 C ATOM 352 CE1 HIS 1 25 17.767 1.583 4.807 1.00 0.00 C ATOM 353 NE2 HIS 1 25 18.193 0.482 5.488 1.00 0.00 N ATOM 0 H HIS 1 25 14.405 -2.590 1.735 1.00 0.00 H new ATOM 0 HA HIS 1 25 16.473 -2.503 3.869 1.00 0.00 H new ATOM 0 HB2 HIS 1 25 14.972 -0.325 2.817 1.00 0.00 H new ATOM 0 HB3 HIS 1 25 14.358 -0.685 4.419 1.00 0.00 H new ATOM 0 HD2 HIS 1 25 17.451 -1.526 5.629 1.00 0.00 H new ATOM 0 HE1 HIS 1 25 18.235 2.556 4.817 1.00 0.00 H new ATOM 0 HE2 HIS 1 25 19.011 0.440 6.096 1.00 0.00 H new ATOM 362 N VAL 1 26 14.081 -4.264 3.677 1.00 0.00 N ATOM 363 CA VAL 1 26 13.170 -5.202 4.312 1.00 0.00 C ATOM 364 C VAL 1 26 13.600 -5.420 5.763 1.00 0.00 C ATOM 365 O VAL 1 26 14.764 -5.717 6.031 1.00 0.00 O ATOM 366 CB VAL 1 26 13.109 -6.499 3.504 1.00 0.00 C ATOM 367 CG1 VAL 1 26 14.506 -6.937 3.062 1.00 0.00 C ATOM 368 CG2 VAL 1 26 12.413 -7.606 4.298 1.00 0.00 C ATOM 0 H VAL 1 26 14.350 -4.509 2.724 1.00 0.00 H new ATOM 0 HA VAL 1 26 12.157 -4.799 4.331 1.00 0.00 H new ATOM 0 HB VAL 1 26 12.520 -6.308 2.607 1.00 0.00 H new ATOM 0 HG11 VAL 1 26 14.433 -7.862 2.489 1.00 0.00 H new ATOM 0 HG12 VAL 1 26 14.952 -6.160 2.441 1.00 0.00 H new ATOM 0 HG13 VAL 1 26 15.130 -7.102 3.940 1.00 0.00 H new ATOM 0 HG21 VAL 1 26 12.383 -8.518 3.701 1.00 0.00 H new ATOM 0 HG22 VAL 1 26 12.964 -7.794 5.220 1.00 0.00 H new ATOM 0 HG23 VAL 1 26 11.396 -7.296 4.539 1.00 0.00 H new ATOM 378 N THR 1 27 12.639 -5.265 6.662 1.00 0.00 N ATOM 379 CA THR 1 27 12.904 -5.442 8.079 1.00 0.00 C ATOM 380 C THR 1 27 11.591 -5.530 8.861 1.00 0.00 C ATOM 381 O THR 1 27 10.571 -4.996 8.428 1.00 0.00 O ATOM 382 CB THR 1 27 13.809 -4.297 8.538 1.00 0.00 C ATOM 383 OG1 THR 1 27 15.001 -4.947 8.970 1.00 0.00 O ATOM 384 CG2 THR 1 27 13.284 -3.605 9.798 1.00 0.00 C ATOM 0 H THR 1 27 11.675 -5.019 6.436 1.00 0.00 H new ATOM 0 HA THR 1 27 13.423 -6.382 8.269 1.00 0.00 H new ATOM 0 HB THR 1 27 13.904 -3.566 7.735 1.00 0.00 H new ATOM 0 HG1 THR 1 27 15.393 -5.443 8.221 1.00 0.00 H new ATOM 0 HG21 THR 1 27 13.963 -2.801 10.081 1.00 0.00 H new ATOM 0 HG22 THR 1 27 12.295 -3.192 9.601 1.00 0.00 H new ATOM 0 HG23 THR 1 27 13.220 -4.329 10.611 1.00 0.00 H new ATOM 392 N PRO 1 28 11.662 -6.225 10.027 1.00 0.00 N ATOM 393 CA PRO 1 28 10.492 -6.389 10.872 1.00 0.00 C ATOM 394 C PRO 1 28 10.171 -5.095 11.623 1.00 0.00 C ATOM 395 O PRO 1 28 10.026 -5.100 12.844 1.00 0.00 O ATOM 396 CB PRO 1 28 10.836 -7.544 11.799 1.00 0.00 C ATOM 397 CG PRO 1 28 12.349 -7.678 11.755 1.00 0.00 C ATOM 398 CD PRO 1 28 12.854 -6.869 10.571 1.00 0.00 C ATOM 0 HA PRO 1 28 9.589 -6.608 10.302 1.00 0.00 H new ATOM 0 HB2 PRO 1 28 10.491 -7.346 12.814 1.00 0.00 H new ATOM 0 HB3 PRO 1 28 10.353 -8.465 11.472 1.00 0.00 H new ATOM 0 HG2 PRO 1 28 12.792 -7.315 12.682 1.00 0.00 H new ATOM 0 HG3 PRO 1 28 12.637 -8.724 11.653 1.00 0.00 H new ATOM 0 HD2 PRO 1 28 13.595 -6.133 10.882 1.00 0.00 H new ATOM 0 HD3 PRO 1 28 13.332 -7.509 9.829 1.00 0.00 H new ATOM 406 N LYS 1 29 10.069 -4.016 10.860 1.00 0.00 N ATOM 407 CA LYS 1 29 9.768 -2.717 11.437 1.00 0.00 C ATOM 408 C LYS 1 29 9.789 -1.656 10.334 1.00 0.00 C ATOM 409 O LYS 1 29 9.206 -0.585 10.489 1.00 0.00 O ATOM 410 CB LYS 1 29 10.717 -2.415 12.598 1.00 0.00 C ATOM 411 CG LYS 1 29 10.009 -1.604 13.686 1.00 0.00 C ATOM 412 CD LYS 1 29 10.013 -2.355 15.020 1.00 0.00 C ATOM 413 CE LYS 1 29 8.748 -3.201 15.175 1.00 0.00 C ATOM 414 NZ LYS 1 29 8.548 -3.577 16.593 1.00 0.00 N ATOM 0 H LYS 1 29 10.190 -4.015 9.847 1.00 0.00 H new ATOM 0 HA LYS 1 29 8.765 -2.713 11.865 1.00 0.00 H new ATOM 0 HB2 LYS 1 29 11.091 -3.348 13.020 1.00 0.00 H new ATOM 0 HB3 LYS 1 29 11.582 -1.862 12.231 1.00 0.00 H new ATOM 0 HG2 LYS 1 29 10.503 -0.640 13.806 1.00 0.00 H new ATOM 0 HG3 LYS 1 29 8.982 -1.400 13.382 1.00 0.00 H new ATOM 0 HD2 LYS 1 29 10.893 -2.996 15.078 1.00 0.00 H new ATOM 0 HD3 LYS 1 29 10.082 -1.643 15.842 1.00 0.00 H new ATOM 0 HE2 LYS 1 29 7.884 -2.643 14.815 1.00 0.00 H new ATOM 0 HE3 LYS 1 29 8.826 -4.099 14.562 1.00 0.00 H new ATOM 0 HZ1 LYS 1 29 7.685 -4.151 16.682 1.00 0.00 H new ATOM 0 HZ2 LYS 1 29 9.366 -4.127 16.925 1.00 0.00 H new ATOM 0 HZ3 LYS 1 29 8.452 -2.717 17.170 1.00 0.00 H new ATOM 428 N GLU 1 30 10.466 -1.993 9.246 1.00 0.00 N ATOM 429 CA GLU 1 30 10.569 -1.084 8.118 1.00 0.00 C ATOM 430 C GLU 1 30 9.515 -1.425 7.062 1.00 0.00 C ATOM 431 O GLU 1 30 8.860 -0.533 6.524 1.00 0.00 O ATOM 432 CB GLU 1 30 11.975 -1.114 7.517 1.00 0.00 C ATOM 433 CG GLU 1 30 12.747 0.162 7.863 1.00 0.00 C ATOM 434 CD GLU 1 30 13.209 0.146 9.321 1.00 0.00 C ATOM 435 OE1 GLU 1 30 12.377 0.503 10.183 1.00 0.00 O ATOM 436 OE2 GLU 1 30 14.382 -0.223 9.541 1.00 0.00 O ATOM 0 H GLU 1 30 10.948 -2.883 9.122 1.00 0.00 H new ATOM 0 HA GLU 1 30 10.383 -0.071 8.475 1.00 0.00 H new ATOM 0 HB2 GLU 1 30 12.516 -1.983 7.891 1.00 0.00 H new ATOM 0 HB3 GLU 1 30 11.909 -1.221 6.434 1.00 0.00 H new ATOM 0 HG2 GLU 1 30 13.611 0.258 7.205 1.00 0.00 H new ATOM 0 HG3 GLU 1 30 12.115 1.032 7.688 1.00 0.00 H new ATOM 443 N CYS 1 31 9.383 -2.716 6.800 1.00 0.00 N ATOM 444 CA CYS 1 31 8.419 -3.186 5.818 1.00 0.00 C ATOM 445 C CYS 1 31 7.035 -2.674 6.222 1.00 0.00 C ATOM 446 O CYS 1 31 6.328 -2.080 5.410 1.00 0.00 O ATOM 447 CB CYS 1 31 8.448 -4.709 5.681 1.00 0.00 C ATOM 448 SG CYS 1 31 9.869 -5.367 4.734 1.00 0.00 S ATOM 0 H CYS 1 31 9.927 -3.452 7.250 1.00 0.00 H new ATOM 0 HA CYS 1 31 8.677 -2.795 4.834 1.00 0.00 H new ATOM 0 HB2 CYS 1 31 8.459 -5.149 6.678 1.00 0.00 H new ATOM 0 HB3 CYS 1 31 7.526 -5.034 5.199 1.00 0.00 H new ATOM 453 N ASN 1 32 6.690 -2.924 7.477 1.00 0.00 N ATOM 454 CA ASN 1 32 5.403 -2.498 7.998 1.00 0.00 C ATOM 455 C ASN 1 32 5.379 -0.970 8.096 1.00 0.00 C ATOM 456 O ASN 1 32 4.362 -0.385 8.467 1.00 0.00 O ATOM 457 CB ASN 1 32 5.160 -3.065 9.398 1.00 0.00 C ATOM 458 CG ASN 1 32 4.318 -4.341 9.334 1.00 0.00 C ATOM 459 OD1 ASN 1 32 3.245 -4.437 9.907 1.00 0.00 O ATOM 460 ND2 ASN 1 32 4.863 -5.312 8.607 1.00 0.00 N ATOM 0 H ASN 1 32 7.280 -3.416 8.148 1.00 0.00 H new ATOM 0 HA ASN 1 32 4.628 -2.861 7.323 1.00 0.00 H new ATOM 0 HB2 ASN 1 32 6.115 -3.279 9.878 1.00 0.00 H new ATOM 0 HB3 ASN 1 32 4.653 -2.321 10.013 1.00 0.00 H new ATOM 0 HD21 ASN 1 32 4.379 -6.204 8.503 1.00 0.00 H new ATOM 0 HD22 ASN 1 32 5.765 -5.165 8.154 1.00 0.00 H new ATOM 467 N ASN 1 33 6.510 -0.369 7.757 1.00 0.00 N ATOM 468 CA ASN 1 33 6.631 1.078 7.801 1.00 0.00 C ATOM 469 C ASN 1 33 6.578 1.635 6.378 1.00 0.00 C ATOM 470 O ASN 1 33 6.145 2.766 6.165 1.00 0.00 O ATOM 471 CB ASN 1 33 7.963 1.500 8.425 1.00 0.00 C ATOM 472 CG ASN 1 33 7.896 2.940 8.938 1.00 0.00 C ATOM 473 OD1 ASN 1 33 6.854 3.573 8.953 1.00 0.00 O ATOM 474 ND2 ASN 1 33 9.064 3.420 9.355 1.00 0.00 N ATOM 0 H ASN 1 33 7.351 -0.858 7.451 1.00 0.00 H new ATOM 0 HA ASN 1 33 5.810 1.466 8.404 1.00 0.00 H new ATOM 0 HB2 ASN 1 33 8.213 0.829 9.247 1.00 0.00 H new ATOM 0 HB3 ASN 1 33 8.760 1.410 7.686 1.00 0.00 H new ATOM 0 HD21 ASN 1 33 9.125 4.372 9.715 1.00 0.00 H new ATOM 0 HD22 ASN 1 33 9.899 2.836 9.315 1.00 0.00 H new ATOM 481 N ARG 1 34 7.025 0.813 5.439 1.00 0.00 N ATOM 482 CA ARG 1 34 7.033 1.209 4.040 1.00 0.00 C ATOM 483 C ARG 1 34 5.665 0.951 3.407 1.00 0.00 C ATOM 484 O ARG 1 34 5.301 1.596 2.424 1.00 0.00 O ATOM 485 CB ARG 1 34 8.103 0.443 3.258 1.00 0.00 C ATOM 486 CG ARG 1 34 9.381 0.288 4.084 1.00 0.00 C ATOM 487 CD ARG 1 34 10.606 0.746 3.289 1.00 0.00 C ATOM 488 NE ARG 1 34 11.548 1.461 4.179 1.00 0.00 N ATOM 489 CZ ARG 1 34 12.476 2.327 3.750 1.00 0.00 C ATOM 490 NH1 ARG 1 34 12.591 2.592 2.441 1.00 0.00 N ATOM 491 NH2 ARG 1 34 13.288 2.929 4.628 1.00 0.00 N ATOM 0 H ARG 1 34 7.384 -0.125 5.619 1.00 0.00 H new ATOM 0 HA ARG 1 34 7.260 2.274 3.998 1.00 0.00 H new ATOM 0 HB2 ARG 1 34 7.723 -0.541 2.982 1.00 0.00 H new ATOM 0 HB3 ARG 1 34 8.327 0.970 2.330 1.00 0.00 H new ATOM 0 HG2 ARG 1 34 9.299 0.872 5.001 1.00 0.00 H new ATOM 0 HG3 ARG 1 34 9.503 -0.754 4.379 1.00 0.00 H new ATOM 0 HD2 ARG 1 34 11.100 -0.115 2.839 1.00 0.00 H new ATOM 0 HD3 ARG 1 34 10.297 1.399 2.473 1.00 0.00 H new ATOM 0 HE ARG 1 34 11.487 1.283 5.182 1.00 0.00 H new ATOM 0 HH11 ARG 1 34 11.972 2.134 1.772 1.00 0.00 H new ATOM 0 HH12 ARG 1 34 13.297 3.251 2.114 1.00 0.00 H new ATOM 0 HH21 ARG 1 34 13.200 2.728 5.624 1.00 0.00 H new ATOM 0 HH22 ARG 1 34 13.994 3.588 4.301 1.00 0.00 H new ATOM 505 N GLY 1 35 4.944 0.008 3.995 1.00 0.00 N ATOM 506 CA GLY 1 35 3.624 -0.342 3.501 1.00 0.00 C ATOM 507 C GLY 1 35 3.564 -1.817 3.095 1.00 0.00 C ATOM 508 O GLY 1 35 2.746 -2.202 2.262 1.00 0.00 O ATOM 0 H GLY 1 35 5.250 -0.525 4.809 1.00 0.00 H new ATOM 0 HA2 GLY 1 35 2.879 -0.142 4.271 1.00 0.00 H new ATOM 0 HA3 GLY 1 35 3.374 0.285 2.645 1.00 0.00 H new ATOM 512 N CYS 1 36 4.440 -2.601 3.705 1.00 0.00 N ATOM 513 CA CYS 1 36 4.498 -4.025 3.417 1.00 0.00 C ATOM 514 C CYS 1 36 4.238 -4.788 4.718 1.00 0.00 C ATOM 515 O CYS 1 36 4.019 -4.180 5.765 1.00 0.00 O ATOM 516 CB CYS 1 36 5.831 -4.419 2.780 1.00 0.00 C ATOM 517 SG CYS 1 36 6.344 -3.378 1.365 1.00 0.00 S ATOM 0 H CYS 1 36 5.116 -2.278 4.398 1.00 0.00 H new ATOM 0 HA CYS 1 36 3.732 -4.283 2.686 1.00 0.00 H new ATOM 0 HB2 CYS 1 36 6.608 -4.378 3.543 1.00 0.00 H new ATOM 0 HB3 CYS 1 36 5.766 -5.455 2.446 1.00 0.00 H new ATOM 522 N CYS 1 37 4.273 -6.108 4.608 1.00 0.00 N ATOM 523 CA CYS 1 37 4.045 -6.960 5.763 1.00 0.00 C ATOM 524 C CYS 1 37 5.233 -7.915 5.897 1.00 0.00 C ATOM 525 O CYS 1 37 5.570 -8.628 4.954 1.00 0.00 O ATOM 526 CB CYS 1 37 2.717 -7.713 5.657 1.00 0.00 C ATOM 527 SG CYS 1 37 2.006 -8.245 7.257 1.00 0.00 S ATOM 0 H CYS 1 37 4.456 -6.608 3.738 1.00 0.00 H new ATOM 0 HA CYS 1 37 3.969 -6.347 6.661 1.00 0.00 H new ATOM 0 HB2 CYS 1 37 1.994 -7.076 5.148 1.00 0.00 H new ATOM 0 HB3 CYS 1 37 2.863 -8.593 5.030 1.00 0.00 H new ATOM 0 HG CYS 1 37 0.885 -8.869 7.048 1.00 0.00 H new ATOM 532 N PHE 1 38 5.834 -7.898 7.077 1.00 0.00 N ATOM 533 CA PHE 1 38 6.977 -8.753 7.347 1.00 0.00 C ATOM 534 C PHE 1 38 6.532 -10.091 7.943 1.00 0.00 C ATOM 535 O PHE 1 38 5.889 -10.126 8.990 1.00 0.00 O ATOM 536 CB PHE 1 38 7.853 -8.021 8.367 1.00 0.00 C ATOM 537 CG PHE 1 38 9.198 -8.702 8.633 1.00 0.00 C ATOM 538 CD1 PHE 1 38 10.261 -8.446 7.826 1.00 0.00 C ATOM 539 CD2 PHE 1 38 9.329 -9.561 9.679 1.00 0.00 C ATOM 540 CE1 PHE 1 38 11.508 -9.077 8.073 1.00 0.00 C ATOM 541 CE2 PHE 1 38 10.577 -10.192 9.927 1.00 0.00 C ATOM 542 CZ PHE 1 38 11.640 -9.936 9.119 1.00 0.00 C ATOM 0 H PHE 1 38 5.551 -7.305 7.857 1.00 0.00 H new ATOM 0 HA PHE 1 38 7.515 -8.958 6.421 1.00 0.00 H new ATOM 0 HB2 PHE 1 38 8.035 -7.006 8.013 1.00 0.00 H new ATOM 0 HB3 PHE 1 38 7.307 -7.938 9.307 1.00 0.00 H new ATOM 0 HD1 PHE 1 38 10.157 -7.762 6.997 1.00 0.00 H new ATOM 0 HD2 PHE 1 38 8.484 -9.763 10.321 1.00 0.00 H new ATOM 0 HE1 PHE 1 38 12.352 -8.875 7.430 1.00 0.00 H new ATOM 0 HE2 PHE 1 38 10.682 -10.875 10.757 1.00 0.00 H new ATOM 0 HZ PHE 1 38 12.589 -10.415 9.308 1.00 0.00 H new ATOM 552 N ASP 1 39 6.893 -11.160 7.248 1.00 0.00 N ATOM 553 CA ASP 1 39 6.539 -12.496 7.695 1.00 0.00 C ATOM 554 C ASP 1 39 7.649 -13.039 8.597 1.00 0.00 C ATOM 555 O ASP 1 39 7.548 -12.971 9.821 1.00 0.00 O ATOM 556 CB ASP 1 39 6.386 -13.451 6.508 1.00 0.00 C ATOM 557 CG ASP 1 39 6.223 -14.926 6.882 1.00 0.00 C ATOM 558 OD1 ASP 1 39 5.162 -15.252 7.456 1.00 0.00 O ATOM 559 OD2 ASP 1 39 7.163 -15.694 6.585 1.00 0.00 O ATOM 0 H ASP 1 39 7.427 -11.128 6.379 1.00 0.00 H new ATOM 0 HA ASP 1 39 5.593 -12.432 8.232 1.00 0.00 H new ATOM 0 HB2 ASP 1 39 5.520 -13.142 5.922 1.00 0.00 H new ATOM 0 HB3 ASP 1 39 7.260 -13.349 5.864 1.00 0.00 H new ATOM 564 N SER 1 40 8.683 -13.565 7.958 1.00 0.00 N ATOM 565 CA SER 1 40 9.811 -14.119 8.688 1.00 0.00 C ATOM 566 C SER 1 40 9.559 -15.596 8.998 1.00 0.00 C ATOM 567 O SER 1 40 10.490 -16.334 9.319 1.00 0.00 O ATOM 568 CB SER 1 40 10.066 -13.342 9.980 1.00 0.00 C ATOM 569 OG SER 1 40 11.456 -13.245 10.281 1.00 0.00 O ATOM 0 H SER 1 40 8.764 -13.619 6.943 1.00 0.00 H new ATOM 0 HA SER 1 40 10.699 -14.032 8.062 1.00 0.00 H new ATOM 0 HB2 SER 1 40 9.644 -12.341 9.890 1.00 0.00 H new ATOM 0 HB3 SER 1 40 9.550 -13.832 10.805 1.00 0.00 H new ATOM 0 HG SER 1 40 11.751 -12.317 10.170 1.00 0.00 H new ATOM 575 N ARG 1 41 8.297 -15.983 8.893 1.00 0.00 N ATOM 576 CA ARG 1 41 7.911 -17.359 9.158 1.00 0.00 C ATOM 577 C ARG 1 41 8.637 -18.308 8.201 1.00 0.00 C ATOM 578 O ARG 1 41 9.146 -19.346 8.618 1.00 0.00 O ATOM 579 CB ARG 1 41 6.401 -17.547 9.004 1.00 0.00 C ATOM 580 CG ARG 1 41 5.638 -16.726 10.046 1.00 0.00 C ATOM 581 CD ARG 1 41 4.440 -17.510 10.590 1.00 0.00 C ATOM 582 NE ARG 1 41 4.789 -18.128 11.889 1.00 0.00 N ATOM 583 CZ ARG 1 41 3.935 -18.844 12.632 1.00 0.00 C ATOM 584 NH1 ARG 1 41 2.677 -19.035 12.212 1.00 0.00 N ATOM 585 NH2 ARG 1 41 4.339 -19.369 13.797 1.00 0.00 N ATOM 0 H ARG 1 41 7.528 -15.368 8.628 1.00 0.00 H new ATOM 0 HA ARG 1 41 8.191 -17.590 10.186 1.00 0.00 H new ATOM 0 HB2 ARG 1 41 6.094 -17.246 8.002 1.00 0.00 H new ATOM 0 HB3 ARG 1 41 6.149 -18.602 9.111 1.00 0.00 H new ATOM 0 HG2 ARG 1 41 6.306 -16.460 10.865 1.00 0.00 H new ATOM 0 HG3 ARG 1 41 5.294 -15.793 9.599 1.00 0.00 H new ATOM 0 HD2 ARG 1 41 3.585 -16.845 10.712 1.00 0.00 H new ATOM 0 HD3 ARG 1 41 4.146 -18.281 9.878 1.00 0.00 H new ATOM 0 HE ARG 1 41 5.738 -18.001 12.240 1.00 0.00 H new ATOM 0 HH11 ARG 1 41 2.369 -18.635 11.326 1.00 0.00 H new ATOM 0 HH12 ARG 1 41 2.027 -19.580 12.779 1.00 0.00 H new ATOM 0 HH21 ARG 1 41 5.296 -19.223 14.117 1.00 0.00 H new ATOM 0 HH22 ARG 1 41 3.689 -19.914 14.363 1.00 0.00 H new ATOM 599 N ILE 1 42 8.660 -17.916 6.935 1.00 0.00 N ATOM 600 CA ILE 1 42 9.315 -18.719 5.916 1.00 0.00 C ATOM 601 C ILE 1 42 10.423 -17.894 5.259 1.00 0.00 C ATOM 602 O ILE 1 42 10.158 -16.852 4.662 1.00 0.00 O ATOM 603 CB ILE 1 42 8.287 -19.267 4.925 1.00 0.00 C ATOM 604 CG1 ILE 1 42 6.911 -19.407 5.581 1.00 0.00 C ATOM 605 CG2 ILE 1 42 8.765 -20.585 4.312 1.00 0.00 C ATOM 606 CD1 ILE 1 42 5.946 -20.174 4.675 1.00 0.00 C ATOM 0 H ILE 1 42 8.236 -17.054 6.592 1.00 0.00 H new ATOM 0 HA ILE 1 42 9.789 -19.592 6.364 1.00 0.00 H new ATOM 0 HB ILE 1 42 8.184 -18.550 4.110 1.00 0.00 H new ATOM 0 HG12 ILE 1 42 7.010 -19.926 6.534 1.00 0.00 H new ATOM 0 HG13 ILE 1 42 6.505 -18.419 5.797 1.00 0.00 H new ATOM 0 HG21 ILE 1 42 8.016 -20.953 3.611 1.00 0.00 H new ATOM 0 HG22 ILE 1 42 9.705 -20.421 3.785 1.00 0.00 H new ATOM 0 HG23 ILE 1 42 8.915 -21.321 5.102 1.00 0.00 H new ATOM 0 HD11 ILE 1 42 4.976 -20.259 5.165 1.00 0.00 H new ATOM 0 HD12 ILE 1 42 5.830 -19.640 3.732 1.00 0.00 H new ATOM 0 HD13 ILE 1 42 6.343 -21.170 4.481 1.00 0.00 H new ATOM 618 N PRO 1 43 11.676 -18.406 5.393 1.00 0.00 N ATOM 619 CA PRO 1 43 12.827 -17.730 4.819 1.00 0.00 C ATOM 620 C PRO 1 43 12.875 -17.921 3.302 1.00 0.00 C ATOM 621 O PRO 1 43 13.624 -17.234 2.610 1.00 0.00 O ATOM 622 CB PRO 1 43 14.030 -18.327 5.531 1.00 0.00 C ATOM 623 CG PRO 1 43 13.549 -19.636 6.137 1.00 0.00 C ATOM 624 CD PRO 1 43 12.029 -19.639 6.093 1.00 0.00 C ATOM 0 HA PRO 1 43 12.793 -16.650 4.960 1.00 0.00 H new ATOM 0 HB2 PRO 1 43 14.851 -18.498 4.835 1.00 0.00 H new ATOM 0 HB3 PRO 1 43 14.401 -17.653 6.303 1.00 0.00 H new ATOM 0 HG2 PRO 1 43 13.949 -20.484 5.581 1.00 0.00 H new ATOM 0 HG3 PRO 1 43 13.901 -19.734 7.164 1.00 0.00 H new ATOM 0 HD2 PRO 1 43 11.650 -20.515 5.567 1.00 0.00 H new ATOM 0 HD3 PRO 1 43 11.604 -19.660 7.096 1.00 0.00 H new ATOM 632 N GLY 1 44 12.065 -18.857 2.829 1.00 0.00 N ATOM 633 CA GLY 1 44 12.006 -19.146 1.407 1.00 0.00 C ATOM 634 C GLY 1 44 10.939 -18.293 0.717 1.00 0.00 C ATOM 635 O GLY 1 44 10.862 -18.260 -0.510 1.00 0.00 O ATOM 0 H GLY 1 44 11.444 -19.425 3.406 1.00 0.00 H new ATOM 0 HA2 GLY 1 44 12.978 -18.955 0.953 1.00 0.00 H new ATOM 0 HA3 GLY 1 44 11.785 -20.203 1.256 1.00 0.00 H new ATOM 639 N VAL 1 45 10.143 -17.621 1.538 1.00 0.00 N ATOM 640 CA VAL 1 45 9.084 -16.769 1.022 1.00 0.00 C ATOM 641 C VAL 1 45 9.450 -15.304 1.268 1.00 0.00 C ATOM 642 O VAL 1 45 10.438 -15.011 1.940 1.00 0.00 O ATOM 643 CB VAL 1 45 7.745 -17.165 1.645 1.00 0.00 C ATOM 644 CG1 VAL 1 45 7.246 -16.083 2.606 1.00 0.00 C ATOM 645 CG2 VAL 1 45 6.703 -17.460 0.565 1.00 0.00 C ATOM 0 H VAL 1 45 10.210 -17.649 2.555 1.00 0.00 H new ATOM 0 HA VAL 1 45 8.977 -16.900 -0.055 1.00 0.00 H new ATOM 0 HB VAL 1 45 7.900 -18.078 2.219 1.00 0.00 H new ATOM 0 HG11 VAL 1 45 6.292 -16.389 3.035 1.00 0.00 H new ATOM 0 HG12 VAL 1 45 7.974 -15.941 3.404 1.00 0.00 H new ATOM 0 HG13 VAL 1 45 7.116 -15.147 2.064 1.00 0.00 H new ATOM 0 HG21 VAL 1 45 5.760 -17.739 1.036 1.00 0.00 H new ATOM 0 HG22 VAL 1 45 6.553 -16.572 -0.049 1.00 0.00 H new ATOM 0 HG23 VAL 1 45 7.052 -18.280 -0.063 1.00 0.00 H new ATOM 655 N PRO 1 46 8.611 -14.399 0.697 1.00 0.00 N ATOM 656 CA PRO 1 46 8.836 -12.972 0.848 1.00 0.00 C ATOM 657 C PRO 1 46 8.445 -12.500 2.250 1.00 0.00 C ATOM 658 O PRO 1 46 7.271 -12.543 2.618 1.00 0.00 O ATOM 659 CB PRO 1 46 8.007 -12.324 -0.249 1.00 0.00 C ATOM 660 CG PRO 1 46 6.990 -13.371 -0.676 1.00 0.00 C ATOM 661 CD PRO 1 46 7.432 -14.709 -0.105 1.00 0.00 C ATOM 0 HA PRO 1 46 9.887 -12.700 0.748 1.00 0.00 H new ATOM 0 HB2 PRO 1 46 7.512 -11.424 0.116 1.00 0.00 H new ATOM 0 HB3 PRO 1 46 8.635 -12.024 -1.088 1.00 0.00 H new ATOM 0 HG2 PRO 1 46 5.997 -13.110 -0.311 1.00 0.00 H new ATOM 0 HG3 PRO 1 46 6.927 -13.422 -1.763 1.00 0.00 H new ATOM 0 HD2 PRO 1 46 6.647 -15.159 0.503 1.00 0.00 H new ATOM 0 HD3 PRO 1 46 7.668 -15.419 -0.898 1.00 0.00 H new ATOM 669 N TRP 1 47 9.450 -12.061 2.993 1.00 0.00 N ATOM 670 CA TRP 1 47 9.225 -11.582 4.347 1.00 0.00 C ATOM 671 C TRP 1 47 8.914 -10.086 4.273 1.00 0.00 C ATOM 672 O TRP 1 47 9.216 -9.339 5.203 1.00 0.00 O ATOM 673 CB TRP 1 47 10.421 -11.900 5.247 1.00 0.00 C ATOM 674 CG TRP 1 47 11.494 -12.761 4.575 1.00 0.00 C ATOM 675 CD1 TRP 1 47 11.508 -14.092 4.426 1.00 0.00 C ATOM 676 CD2 TRP 1 47 12.714 -12.292 3.963 1.00 0.00 C ATOM 677 NE1 TRP 1 47 12.645 -14.514 3.767 1.00 0.00 N ATOM 678 CE2 TRP 1 47 13.401 -13.384 3.476 1.00 0.00 C ATOM 679 CE3 TRP 1 47 13.220 -10.987 3.826 1.00 0.00 C ATOM 680 CZ2 TRP 1 47 14.634 -13.285 2.819 1.00 0.00 C ATOM 681 CZ3 TRP 1 47 14.453 -10.904 3.168 1.00 0.00 C ATOM 682 CH2 TRP 1 47 15.157 -11.995 2.671 1.00 0.00 C ATOM 0 H TRP 1 47 10.421 -12.027 2.684 1.00 0.00 H new ATOM 0 HA TRP 1 47 8.376 -12.093 4.801 1.00 0.00 H new ATOM 0 HB2 TRP 1 47 10.874 -10.965 5.576 1.00 0.00 H new ATOM 0 HB3 TRP 1 47 10.064 -12.413 6.140 1.00 0.00 H new ATOM 0 HD1 TRP 1 47 10.728 -14.752 4.777 1.00 0.00 H new ATOM 0 HE1 TRP 1 47 12.886 -15.478 3.536 1.00 0.00 H new ATOM 0 HE3 TRP 1 47 12.699 -10.118 4.199 1.00 0.00 H new ATOM 0 HZ2 TRP 1 47 15.153 -14.156 2.447 1.00 0.00 H new ATOM 0 HZ3 TRP 1 47 14.888 -9.924 3.037 1.00 0.00 H new ATOM 0 HH2 TRP 1 47 16.104 -11.848 2.173 1.00 0.00 H new ATOM 693 N CYS 1 48 8.312 -9.693 3.160 1.00 0.00 N ATOM 694 CA CYS 1 48 7.956 -8.300 2.954 1.00 0.00 C ATOM 695 C CYS 1 48 7.063 -8.211 1.715 1.00 0.00 C ATOM 696 O CYS 1 48 7.548 -8.301 0.587 1.00 0.00 O ATOM 697 CB CYS 1 48 9.196 -7.412 2.828 1.00 0.00 C ATOM 698 SG CYS 1 48 8.867 -5.614 2.935 1.00 0.00 S ATOM 0 H CYS 1 48 8.062 -10.315 2.392 1.00 0.00 H new ATOM 0 HA CYS 1 48 7.411 -7.929 3.822 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 9.902 -7.685 3.612 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 9.681 -7.622 1.875 1.00 0.00 H new ATOM 703 N PHE 1 49 5.774 -8.036 1.965 1.00 0.00 N ATOM 704 CA PHE 1 49 4.809 -7.933 0.883 1.00 0.00 C ATOM 705 C PHE 1 49 3.693 -6.946 1.235 1.00 0.00 C ATOM 706 O PHE 1 49 3.780 -6.238 2.237 1.00 0.00 O ATOM 707 CB PHE 1 49 4.200 -9.324 0.694 1.00 0.00 C ATOM 708 CG PHE 1 49 4.122 -10.150 1.981 1.00 0.00 C ATOM 709 CD1 PHE 1 49 5.262 -10.592 2.575 1.00 0.00 C ATOM 710 CD2 PHE 1 49 2.912 -10.440 2.529 1.00 0.00 C ATOM 711 CE1 PHE 1 49 5.190 -11.358 3.768 1.00 0.00 C ATOM 712 CE2 PHE 1 49 2.839 -11.207 3.722 1.00 0.00 C ATOM 713 CZ PHE 1 49 3.979 -11.649 4.316 1.00 0.00 C ATOM 0 H PHE 1 49 5.375 -7.963 2.901 1.00 0.00 H new ATOM 0 HA PHE 1 49 5.301 -7.577 -0.022 1.00 0.00 H new ATOM 0 HB2 PHE 1 49 3.197 -9.217 0.282 1.00 0.00 H new ATOM 0 HB3 PHE 1 49 4.790 -9.871 -0.041 1.00 0.00 H new ATOM 0 HD1 PHE 1 49 6.223 -10.360 2.139 1.00 0.00 H new ATOM 0 HD2 PHE 1 49 2.007 -10.087 2.057 1.00 0.00 H new ATOM 0 HE1 PHE 1 49 6.095 -11.709 4.240 1.00 0.00 H new ATOM 0 HE2 PHE 1 49 1.878 -11.439 4.157 1.00 0.00 H new ATOM 0 HZ PHE 1 49 3.924 -12.232 5.224 1.00 0.00 H new ATOM 723 N LYS 1 50 2.673 -6.929 0.390 1.00 0.00 N ATOM 724 CA LYS 1 50 1.543 -6.041 0.600 1.00 0.00 C ATOM 725 C LYS 1 50 0.267 -6.871 0.747 1.00 0.00 C ATOM 726 O LYS 1 50 -0.589 -6.864 -0.136 1.00 0.00 O ATOM 727 CB LYS 1 50 1.471 -4.995 -0.515 1.00 0.00 C ATOM 728 CG LYS 1 50 2.429 -5.343 -1.656 1.00 0.00 C ATOM 729 CD LYS 1 50 3.824 -4.771 -1.393 1.00 0.00 C ATOM 730 CE LYS 1 50 3.749 -3.287 -1.032 1.00 0.00 C ATOM 731 NZ LYS 1 50 2.732 -2.602 -1.860 1.00 0.00 N ATOM 0 H LYS 1 50 2.606 -7.516 -0.441 1.00 0.00 H new ATOM 0 HA LYS 1 50 1.666 -5.480 1.526 1.00 0.00 H new ATOM 0 HB2 LYS 1 50 0.452 -4.935 -0.897 1.00 0.00 H new ATOM 0 HB3 LYS 1 50 1.720 -4.013 -0.114 1.00 0.00 H new ATOM 0 HG2 LYS 1 50 2.491 -6.426 -1.767 1.00 0.00 H new ATOM 0 HG3 LYS 1 50 2.041 -4.948 -2.595 1.00 0.00 H new ATOM 0 HD2 LYS 1 50 4.300 -5.322 -0.582 1.00 0.00 H new ATOM 0 HD3 LYS 1 50 4.448 -4.903 -2.277 1.00 0.00 H new ATOM 0 HE2 LYS 1 50 3.502 -3.176 0.024 1.00 0.00 H new ATOM 0 HE3 LYS 1 50 4.723 -2.821 -1.182 1.00 0.00 H new ATOM 0 HZ1 LYS 1 50 3.001 -1.605 -1.985 1.00 0.00 H new ATOM 0 HZ2 LYS 1 50 2.673 -3.064 -2.790 1.00 0.00 H new ATOM 0 HZ3 LYS 1 50 1.807 -2.655 -1.388 1.00 0.00 H new ATOM 745 N PRO 1 51 0.177 -7.586 1.900 1.00 0.00 N ATOM 746 CA PRO 1 51 -0.981 -8.420 2.175 1.00 0.00 C ATOM 747 C PRO 1 51 -2.189 -7.569 2.568 1.00 0.00 C ATOM 748 O PRO 1 51 -2.892 -7.045 1.704 1.00 0.00 O ATOM 749 CB PRO 1 51 -0.533 -9.363 3.282 1.00 0.00 C ATOM 750 CG PRO 1 51 0.696 -8.719 3.904 1.00 0.00 C ATOM 751 CD PRO 1 51 1.170 -7.619 2.970 1.00 0.00 C ATOM 0 HA PRO 1 51 -1.312 -8.981 1.301 1.00 0.00 H new ATOM 0 HB2 PRO 1 51 -1.321 -9.498 4.023 1.00 0.00 H new ATOM 0 HB3 PRO 1 51 -0.298 -10.350 2.883 1.00 0.00 H new ATOM 0 HG2 PRO 1 51 0.457 -8.309 4.885 1.00 0.00 H new ATOM 0 HG3 PRO 1 51 1.482 -9.460 4.051 1.00 0.00 H new ATOM 0 HD2 PRO 1 51 1.229 -6.660 3.485 1.00 0.00 H new ATOM 0 HD3 PRO 1 51 2.165 -7.833 2.580 1.00 0.00 H new ATOM 759 N LEU 1 52 -2.395 -7.456 3.872 1.00 0.00 N ATOM 760 CA LEU 1 52 -3.507 -6.677 4.391 1.00 0.00 C ATOM 761 C LEU 1 52 -3.037 -5.248 4.667 1.00 0.00 C ATOM 762 O LEU 1 52 -3.518 -4.602 5.597 1.00 0.00 O ATOM 763 CB LEU 1 52 -4.125 -7.368 5.607 1.00 0.00 C ATOM 764 CG LEU 1 52 -3.437 -7.105 6.949 1.00 0.00 C ATOM 765 CD1 LEU 1 52 -4.409 -6.479 7.950 1.00 0.00 C ATOM 766 CD2 LEU 1 52 -2.795 -8.382 7.495 1.00 0.00 C ATOM 0 H LEU 1 52 -1.810 -7.891 4.585 1.00 0.00 H new ATOM 0 HA LEU 1 52 -4.305 -6.613 3.652 1.00 0.00 H new ATOM 0 HB2 LEU 1 52 -5.166 -7.056 5.688 1.00 0.00 H new ATOM 0 HB3 LEU 1 52 -4.128 -8.443 5.427 1.00 0.00 H new ATOM 0 HG LEU 1 52 -2.635 -6.385 6.787 1.00 0.00 H new ATOM 0 HD11 LEU 1 52 -3.895 -6.303 8.895 1.00 0.00 H new ATOM 0 HD12 LEU 1 52 -4.778 -5.532 7.555 1.00 0.00 H new ATOM 0 HD13 LEU 1 52 -5.248 -7.155 8.114 1.00 0.00 H new ATOM 0 HD21 LEU 1 52 -2.313 -8.168 8.449 1.00 0.00 H new ATOM 0 HD22 LEU 1 52 -3.563 -9.142 7.639 1.00 0.00 H new ATOM 0 HD23 LEU 1 52 -2.051 -8.747 6.787 1.00 0.00 H new ATOM 778 N GLN 1 53 -2.103 -4.796 3.842 1.00 0.00 N ATOM 779 CA GLN 1 53 -1.563 -3.454 3.987 1.00 0.00 C ATOM 780 C GLN 1 53 -2.693 -2.423 3.975 1.00 0.00 C ATOM 781 O GLN 1 53 -2.521 -1.303 4.452 1.00 0.00 O ATOM 782 CB GLN 1 53 -0.537 -3.156 2.893 1.00 0.00 C ATOM 783 CG GLN 1 53 0.645 -4.125 2.971 1.00 0.00 C ATOM 784 CD GLN 1 53 1.282 -4.103 4.362 1.00 0.00 C ATOM 785 OE1 GLN 1 53 2.096 -3.254 4.686 1.00 0.00 O ATOM 786 NE2 GLN 1 53 0.868 -5.081 5.162 1.00 0.00 N ATOM 0 H GLN 1 53 -1.707 -5.335 3.072 1.00 0.00 H new ATOM 0 HA GLN 1 53 -1.051 -3.391 4.947 1.00 0.00 H new ATOM 0 HB2 GLN 1 53 -1.011 -3.233 1.914 1.00 0.00 H new ATOM 0 HB3 GLN 1 53 -0.179 -2.131 2.994 1.00 0.00 H new ATOM 0 HG2 GLN 1 53 0.308 -5.135 2.738 1.00 0.00 H new ATOM 0 HG3 GLN 1 53 1.390 -3.857 2.222 1.00 0.00 H new ATOM 0 HE21 GLN 1 53 0.184 -5.759 4.827 1.00 0.00 H new ATOM 0 HE22 GLN 1 53 1.235 -5.153 6.111 1.00 0.00 H new ATOM 795 N GLU 1 54 -3.825 -2.839 3.424 1.00 0.00 N ATOM 796 CA GLU 1 54 -4.982 -1.965 3.343 1.00 0.00 C ATOM 797 C GLU 1 54 -5.136 -1.165 4.639 1.00 0.00 C ATOM 798 O GLU 1 54 -5.700 -0.072 4.635 1.00 0.00 O ATOM 799 CB GLU 1 54 -6.252 -2.763 3.038 1.00 0.00 C ATOM 800 CG GLU 1 54 -6.861 -3.334 4.320 1.00 0.00 C ATOM 801 CD GLU 1 54 -8.014 -2.459 4.816 1.00 0.00 C ATOM 802 OE1 GLU 1 54 -7.846 -1.221 4.773 1.00 0.00 O ATOM 803 OE2 GLU 1 54 -9.038 -3.048 5.227 1.00 0.00 O ATOM 0 H GLU 1 54 -3.965 -3.769 3.030 1.00 0.00 H new ATOM 0 HA GLU 1 54 -4.826 -1.264 2.523 1.00 0.00 H new ATOM 0 HB2 GLU 1 54 -6.979 -2.121 2.540 1.00 0.00 H new ATOM 0 HB3 GLU 1 54 -6.019 -3.575 2.349 1.00 0.00 H new ATOM 0 HG2 GLU 1 54 -7.221 -4.346 4.136 1.00 0.00 H new ATOM 0 HG3 GLU 1 54 -6.094 -3.403 5.092 1.00 0.00 H new ATOM 810 N ALA 1 55 -4.624 -1.741 5.716 1.00 0.00 N ATOM 811 CA ALA 1 55 -4.697 -1.096 7.016 1.00 0.00 C ATOM 812 C ALA 1 55 -4.488 0.410 6.846 1.00 0.00 C ATOM 813 O ALA 1 55 -5.423 1.192 7.006 1.00 0.00 O ATOM 814 CB ALA 1 55 -3.667 -1.726 7.957 1.00 0.00 C ATOM 0 H ALA 1 55 -4.157 -2.648 5.715 1.00 0.00 H new ATOM 0 HA ALA 1 55 -5.680 -1.243 7.463 1.00 0.00 H new ATOM 0 HB1 ALA 1 55 -3.721 -1.242 8.932 1.00 0.00 H new ATOM 0 HB2 ALA 1 55 -3.878 -2.790 8.067 1.00 0.00 H new ATOM 0 HB3 ALA 1 55 -2.667 -1.595 7.542 1.00 0.00 H new ATOM 820 N GLU 1 56 -3.254 0.771 6.524 1.00 0.00 N ATOM 821 CA GLU 1 56 -2.910 2.169 6.330 1.00 0.00 C ATOM 822 C GLU 1 56 -2.203 2.360 4.987 1.00 0.00 C ATOM 823 O GLU 1 56 -1.455 3.322 4.806 1.00 0.00 O ATOM 824 CB GLU 1 56 -2.047 2.686 7.482 1.00 0.00 C ATOM 825 CG GLU 1 56 -2.829 2.683 8.798 1.00 0.00 C ATOM 826 CD GLU 1 56 -1.891 2.850 9.994 1.00 0.00 C ATOM 827 OE1 GLU 1 56 -1.071 3.793 9.945 1.00 0.00 O ATOM 828 OE2 GLU 1 56 -2.014 2.032 10.931 1.00 0.00 O ATOM 0 H GLU 1 56 -2.480 0.119 6.393 1.00 0.00 H new ATOM 0 HA GLU 1 56 -3.831 2.752 6.320 1.00 0.00 H new ATOM 0 HB2 GLU 1 56 -1.157 2.064 7.582 1.00 0.00 H new ATOM 0 HB3 GLU 1 56 -1.706 3.697 7.260 1.00 0.00 H new ATOM 0 HG2 GLU 1 56 -3.562 3.489 8.791 1.00 0.00 H new ATOM 0 HG3 GLU 1 56 -3.383 1.749 8.894 1.00 0.00 H new ATOM 835 N CYS 1 57 -2.463 1.431 4.079 1.00 0.00 N ATOM 836 CA CYS 1 57 -1.861 1.486 2.759 1.00 0.00 C ATOM 837 C CYS 1 57 -2.922 1.964 1.765 1.00 0.00 C ATOM 838 O CYS 1 57 -2.716 2.946 1.056 1.00 0.00 O ATOM 839 CB CYS 1 57 -1.266 0.136 2.351 1.00 0.00 C ATOM 840 SG CYS 1 57 0.053 0.229 1.087 1.00 0.00 S ATOM 0 H CYS 1 57 -3.083 0.636 4.232 1.00 0.00 H new ATOM 0 HA CYS 1 57 -1.028 2.189 2.767 1.00 0.00 H new ATOM 0 HB2 CYS 1 57 -0.865 -0.352 3.239 1.00 0.00 H new ATOM 0 HB3 CYS 1 57 -2.067 -0.499 1.973 1.00 0.00 H new ATOM 845 N THR 1 58 -4.036 1.246 1.748 1.00 0.00 N ATOM 846 CA THR 1 58 -5.130 1.584 0.854 1.00 0.00 C ATOM 847 C THR 1 58 -6.047 2.622 1.503 1.00 0.00 C ATOM 848 O THR 1 58 -6.553 3.517 0.828 1.00 0.00 O ATOM 849 CB THR 1 58 -5.851 0.287 0.477 1.00 0.00 C ATOM 850 OG1 THR 1 58 -6.391 0.553 -0.815 1.00 0.00 O ATOM 851 CG2 THR 1 58 -7.080 0.025 1.349 1.00 0.00 C ATOM 0 H THR 1 58 -4.204 0.432 2.339 1.00 0.00 H new ATOM 0 HA THR 1 58 -4.764 2.047 -0.062 1.00 0.00 H new ATOM 0 HB THR 1 58 -5.160 -0.551 0.565 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -6.655 1.495 -0.871 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -7.554 -0.907 1.040 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -6.776 -0.052 2.393 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -7.788 0.847 1.237 1.00 0.00 H new ATOM 859 N PHE 1 59 -6.234 2.467 2.806 1.00 0.00 N ATOM 860 CA PHE 1 59 -7.082 3.380 3.553 1.00 0.00 C ATOM 861 C PHE 1 59 -6.961 4.807 3.014 1.00 0.00 C ATOM 862 O PHE 1 59 -7.359 5.762 3.680 1.00 0.00 O ATOM 863 CB PHE 1 59 -6.597 3.353 5.005 1.00 0.00 C ATOM 864 CG PHE 1 59 -7.727 3.365 6.037 1.00 0.00 C ATOM 865 CD1 PHE 1 59 -8.440 2.233 6.279 1.00 0.00 C ATOM 866 CD2 PHE 1 59 -8.017 4.508 6.715 1.00 0.00 C ATOM 867 CE1 PHE 1 59 -9.487 2.244 7.237 1.00 0.00 C ATOM 868 CE2 PHE 1 59 -9.063 4.519 7.674 1.00 0.00 C ATOM 869 CZ PHE 1 59 -9.777 3.387 7.915 1.00 0.00 C ATOM 0 H PHE 1 59 -5.813 1.723 3.363 1.00 0.00 H new ATOM 0 HA PHE 1 59 -8.125 3.075 3.466 1.00 0.00 H new ATOM 0 HB2 PHE 1 59 -5.988 2.462 5.158 1.00 0.00 H new ATOM 0 HB3 PHE 1 59 -5.951 4.214 5.178 1.00 0.00 H new ATOM 0 HD1 PHE 1 59 -8.209 1.325 5.742 1.00 0.00 H new ATOM 0 HD2 PHE 1 59 -7.451 5.408 6.523 1.00 0.00 H new ATOM 0 HE1 PHE 1 59 -10.054 1.345 7.428 1.00 0.00 H new ATOM 0 HE2 PHE 1 59 -9.292 5.427 8.213 1.00 0.00 H new ATOM 0 HZ PHE 1 59 -10.574 3.396 8.644 1.00 0.00 H new ATOM 1107 N ASP 2 17 -9.194 14.991 -1.017 1.00 0.00 N ATOM 1108 CA ASP 2 17 -9.933 13.877 -0.449 1.00 0.00 C ATOM 1109 C ASP 2 17 -8.953 12.765 -0.065 1.00 0.00 C ATOM 1110 O ASP 2 17 -9.367 11.648 0.240 1.00 0.00 O ATOM 1111 CB ASP 2 17 -10.925 13.302 -1.462 1.00 0.00 C ATOM 1112 CG ASP 2 17 -11.840 12.203 -0.917 1.00 0.00 C ATOM 1113 OD1 ASP 2 17 -11.883 12.064 0.324 1.00 0.00 O ATOM 1114 OD2 ASP 2 17 -12.476 11.527 -1.755 1.00 0.00 O ATOM 0 HA ASP 2 17 -10.477 14.241 0.423 1.00 0.00 H new ATOM 0 HB2 ASP 2 17 -11.544 14.114 -1.843 1.00 0.00 H new ATOM 0 HB3 ASP 2 17 -10.367 12.903 -2.309 1.00 0.00 H new ATOM 1119 N ARG 2 18 -7.675 13.111 -0.090 1.00 0.00 N ATOM 1120 CA ARG 2 18 -6.635 12.157 0.253 1.00 0.00 C ATOM 1121 C ARG 2 18 -6.318 12.231 1.748 1.00 0.00 C ATOM 1122 O ARG 2 18 -6.889 13.050 2.468 1.00 0.00 O ATOM 1123 CB ARG 2 18 -5.357 12.424 -0.546 1.00 0.00 C ATOM 1124 CG ARG 2 18 -5.668 12.601 -2.033 1.00 0.00 C ATOM 1125 CD ARG 2 18 -4.787 13.688 -2.652 1.00 0.00 C ATOM 1126 NE ARG 2 18 -5.147 13.882 -4.074 1.00 0.00 N ATOM 1127 CZ ARG 2 18 -4.254 14.070 -5.056 1.00 0.00 C ATOM 1128 NH1 ARG 2 18 -2.944 14.089 -4.776 1.00 0.00 N ATOM 1129 NH2 ARG 2 18 -4.673 14.238 -6.318 1.00 0.00 N ATOM 0 H ARG 2 18 -7.336 14.039 -0.343 1.00 0.00 H new ATOM 0 HA ARG 2 18 -7.004 11.162 0.005 1.00 0.00 H new ATOM 0 HB2 ARG 2 18 -4.865 13.319 -0.164 1.00 0.00 H new ATOM 0 HB3 ARG 2 18 -4.661 11.596 -0.412 1.00 0.00 H new ATOM 0 HG2 ARG 2 18 -5.510 11.658 -2.556 1.00 0.00 H new ATOM 0 HG3 ARG 2 18 -6.718 12.863 -2.160 1.00 0.00 H new ATOM 0 HD2 ARG 2 18 -4.911 14.623 -2.106 1.00 0.00 H new ATOM 0 HD3 ARG 2 18 -3.737 13.408 -2.569 1.00 0.00 H new ATOM 0 HE ARG 2 18 -6.136 13.872 -4.323 1.00 0.00 H new ATOM 0 HH11 ARG 2 18 -2.626 13.960 -3.815 1.00 0.00 H new ATOM 0 HH12 ARG 2 18 -2.265 14.232 -5.523 1.00 0.00 H new ATOM 0 HH21 ARG 2 18 -5.671 14.223 -6.530 1.00 0.00 H new ATOM 0 HH22 ARG 2 18 -3.994 14.381 -7.066 1.00 0.00 H new ATOM 1143 N VAL 2 19 -5.409 11.366 2.172 1.00 0.00 N ATOM 1144 CA VAL 2 19 -5.009 11.324 3.569 1.00 0.00 C ATOM 1145 C VAL 2 19 -3.553 11.776 3.692 1.00 0.00 C ATOM 1146 O VAL 2 19 -2.868 11.421 4.651 1.00 0.00 O ATOM 1147 CB VAL 2 19 -5.251 9.925 4.139 1.00 0.00 C ATOM 1148 CG1 VAL 2 19 -5.064 9.913 5.659 1.00 0.00 C ATOM 1149 CG2 VAL 2 19 -6.639 9.408 3.755 1.00 0.00 C ATOM 0 H VAL 2 19 -4.938 10.688 1.573 1.00 0.00 H new ATOM 0 HA VAL 2 19 -5.613 12.011 4.161 1.00 0.00 H new ATOM 0 HB VAL 2 19 -4.511 9.254 3.703 1.00 0.00 H new ATOM 0 HG11 VAL 2 19 -5.242 8.907 6.040 1.00 0.00 H new ATOM 0 HG12 VAL 2 19 -4.047 10.219 5.903 1.00 0.00 H new ATOM 0 HG13 VAL 2 19 -5.771 10.605 6.118 1.00 0.00 H new ATOM 0 HG21 VAL 2 19 -6.785 8.412 4.173 1.00 0.00 H new ATOM 0 HG22 VAL 2 19 -7.400 10.082 4.149 1.00 0.00 H new ATOM 0 HG23 VAL 2 19 -6.722 9.362 2.669 1.00 0.00 H new ATOM 1159 N ASP 2 20 -3.122 12.552 2.709 1.00 0.00 N ATOM 1160 CA ASP 2 20 -1.759 13.056 2.695 1.00 0.00 C ATOM 1161 C ASP 2 20 -0.838 12.043 3.378 1.00 0.00 C ATOM 1162 O ASP 2 20 -0.588 12.138 4.578 1.00 0.00 O ATOM 1163 CB ASP 2 20 -1.655 14.380 3.456 1.00 0.00 C ATOM 1164 CG ASP 2 20 -0.293 14.648 4.101 1.00 0.00 C ATOM 1165 OD1 ASP 2 20 0.650 14.941 3.335 1.00 0.00 O ATOM 1166 OD2 ASP 2 20 -0.226 14.554 5.346 1.00 0.00 O ATOM 0 H ASP 2 20 -3.693 12.844 1.916 1.00 0.00 H new ATOM 0 HA ASP 2 20 -1.467 13.213 1.657 1.00 0.00 H new ATOM 0 HB2 ASP 2 20 -1.882 15.196 2.769 1.00 0.00 H new ATOM 0 HB3 ASP 2 20 -2.418 14.396 4.234 1.00 0.00 H new ATOM 1171 N CYS 2 21 -0.360 11.097 2.584 1.00 0.00 N ATOM 1172 CA CYS 2 21 0.528 10.068 3.097 1.00 0.00 C ATOM 1173 C CYS 2 21 1.632 10.747 3.908 1.00 0.00 C ATOM 1174 O CYS 2 21 2.096 10.203 4.909 1.00 0.00 O ATOM 1175 CB CYS 2 21 1.097 9.200 1.973 1.00 0.00 C ATOM 1176 SG CYS 2 21 1.469 7.473 2.450 1.00 0.00 S ATOM 0 H CYS 2 21 -0.571 11.021 1.589 1.00 0.00 H new ATOM 0 HA CYS 2 21 -0.031 9.391 3.742 1.00 0.00 H new ATOM 0 HB2 CYS 2 21 0.386 9.189 1.147 1.00 0.00 H new ATOM 0 HB3 CYS 2 21 2.011 9.664 1.602 1.00 0.00 H new ATOM 1181 N GLY 2 22 2.023 11.926 3.446 1.00 0.00 N ATOM 1182 CA GLY 2 22 3.064 12.685 4.117 1.00 0.00 C ATOM 1183 C GLY 2 22 4.346 11.860 4.248 1.00 0.00 C ATOM 1184 O GLY 2 22 4.847 11.655 5.353 1.00 0.00 O ATOM 0 H GLY 2 22 1.637 12.374 2.615 1.00 0.00 H new ATOM 0 HA2 GLY 2 22 3.270 13.598 3.559 1.00 0.00 H new ATOM 0 HA3 GLY 2 22 2.719 12.987 5.106 1.00 0.00 H new ATOM 1188 N TYR 2 23 4.841 11.408 3.105 1.00 0.00 N ATOM 1189 CA TYR 2 23 6.055 10.609 3.078 1.00 0.00 C ATOM 1190 C TYR 2 23 7.292 11.497 2.932 1.00 0.00 C ATOM 1191 O TYR 2 23 7.288 12.451 2.153 1.00 0.00 O ATOM 1192 CB TYR 2 23 5.939 9.708 1.847 1.00 0.00 C ATOM 1193 CG TYR 2 23 6.354 8.256 2.098 1.00 0.00 C ATOM 1194 CD1 TYR 2 23 5.983 7.625 3.267 1.00 0.00 C ATOM 1195 CD2 TYR 2 23 7.100 7.580 1.154 1.00 0.00 C ATOM 1196 CE1 TYR 2 23 6.374 6.259 3.502 1.00 0.00 C ATOM 1197 CE2 TYR 2 23 7.491 6.214 1.389 1.00 0.00 C ATOM 1198 CZ TYR 2 23 7.108 5.621 2.552 1.00 0.00 C ATOM 1199 OH TYR 2 23 7.477 4.331 2.774 1.00 0.00 O ATOM 0 H TYR 2 23 4.423 11.580 2.190 1.00 0.00 H new ATOM 0 HA TYR 2 23 6.162 10.041 4.002 1.00 0.00 H new ATOM 0 HB2 TYR 2 23 4.908 9.725 1.493 1.00 0.00 H new ATOM 0 HB3 TYR 2 23 6.557 10.119 1.049 1.00 0.00 H new ATOM 0 HD1 TYR 2 23 5.400 8.155 4.006 1.00 0.00 H new ATOM 0 HD2 TYR 2 23 7.390 8.075 0.239 1.00 0.00 H new ATOM 0 HE1 TYR 2 23 6.090 5.753 4.413 1.00 0.00 H new ATOM 0 HE2 TYR 2 23 8.075 5.673 0.659 1.00 0.00 H new ATOM 0 HH TYR 2 23 8.438 4.233 2.611 1.00 0.00 H new ATOM 1209 N PRO 2 24 8.348 11.144 3.711 1.00 0.00 N ATOM 1210 CA PRO 2 24 9.590 11.899 3.676 1.00 0.00 C ATOM 1211 C PRO 2 24 10.382 11.590 2.404 1.00 0.00 C ATOM 1212 O PRO 2 24 11.419 12.202 2.151 1.00 0.00 O ATOM 1213 CB PRO 2 24 10.328 11.503 4.945 1.00 0.00 C ATOM 1214 CG PRO 2 24 9.691 10.202 5.408 1.00 0.00 C ATOM 1215 CD PRO 2 24 8.390 10.022 4.644 1.00 0.00 C ATOM 0 HA PRO 2 24 9.427 12.976 3.646 1.00 0.00 H new ATOM 0 HB2 PRO 2 24 11.393 11.370 4.752 1.00 0.00 H new ATOM 0 HB3 PRO 2 24 10.236 12.276 5.708 1.00 0.00 H new ATOM 0 HG2 PRO 2 24 10.361 9.362 5.224 1.00 0.00 H new ATOM 0 HG3 PRO 2 24 9.503 10.230 6.481 1.00 0.00 H new ATOM 0 HD2 PRO 2 24 8.369 9.068 4.117 1.00 0.00 H new ATOM 0 HD3 PRO 2 24 7.532 10.034 5.316 1.00 0.00 H new ATOM 1223 N HIS 2 25 9.863 10.643 1.636 1.00 0.00 N ATOM 1224 CA HIS 2 25 10.509 10.247 0.396 1.00 0.00 C ATOM 1225 C HIS 2 25 9.523 10.389 -0.764 1.00 0.00 C ATOM 1226 O HIS 2 25 9.709 9.785 -1.820 1.00 0.00 O ATOM 1227 CB HIS 2 25 11.089 8.836 0.513 1.00 0.00 C ATOM 1228 CG HIS 2 25 12.582 8.766 0.303 1.00 0.00 C ATOM 1229 ND1 HIS 2 25 13.413 7.975 1.078 1.00 0.00 N ATOM 1230 CD2 HIS 2 25 13.385 9.395 -0.603 1.00 0.00 C ATOM 1231 CE1 HIS 2 25 14.657 8.130 0.650 1.00 0.00 C ATOM 1232 NE2 HIS 2 25 14.638 9.011 -0.391 1.00 0.00 N ATOM 0 H HIS 2 25 9.002 10.138 1.849 1.00 0.00 H new ATOM 0 HA HIS 2 25 11.352 10.908 0.193 1.00 0.00 H new ATOM 0 HB2 HIS 2 25 10.852 8.438 1.500 1.00 0.00 H new ATOM 0 HB3 HIS 2 25 10.599 8.191 -0.217 1.00 0.00 H new ATOM 0 HD2 HIS 2 25 13.057 10.088 -1.364 1.00 0.00 H new ATOM 0 HE1 HIS 2 25 15.533 7.644 1.054 1.00 0.00 H new ATOM 0 HE2 HIS 2 25 15.452 9.323 -0.920 1.00 0.00 H new ATOM 1241 N VAL 2 26 8.494 11.191 -0.530 1.00 0.00 N ATOM 1242 CA VAL 2 26 7.478 11.420 -1.543 1.00 0.00 C ATOM 1243 C VAL 2 26 8.152 11.588 -2.906 1.00 0.00 C ATOM 1244 O VAL 2 26 8.991 12.469 -3.084 1.00 0.00 O ATOM 1245 CB VAL 2 26 6.612 12.619 -1.153 1.00 0.00 C ATOM 1246 CG1 VAL 2 26 7.474 13.780 -0.653 1.00 0.00 C ATOM 1247 CG2 VAL 2 26 5.724 13.057 -2.320 1.00 0.00 C ATOM 0 H VAL 2 26 8.342 11.690 0.347 1.00 0.00 H new ATOM 0 HA VAL 2 26 6.809 10.562 -1.614 1.00 0.00 H new ATOM 0 HB VAL 2 26 5.961 12.310 -0.335 1.00 0.00 H new ATOM 0 HG11 VAL 2 26 6.833 14.619 -0.383 1.00 0.00 H new ATOM 0 HG12 VAL 2 26 8.042 13.461 0.221 1.00 0.00 H new ATOM 0 HG13 VAL 2 26 8.162 14.088 -1.441 1.00 0.00 H new ATOM 0 HG21 VAL 2 26 5.119 13.911 -2.016 1.00 0.00 H new ATOM 0 HG22 VAL 2 26 6.349 13.339 -3.167 1.00 0.00 H new ATOM 0 HG23 VAL 2 26 5.071 12.234 -2.609 1.00 0.00 H new ATOM 1257 N THR 2 27 7.759 10.727 -3.834 1.00 0.00 N ATOM 1258 CA THR 2 27 8.314 10.769 -5.176 1.00 0.00 C ATOM 1259 C THR 2 27 7.512 9.865 -6.114 1.00 0.00 C ATOM 1260 O THR 2 27 6.876 8.910 -5.669 1.00 0.00 O ATOM 1261 CB THR 2 27 9.795 10.391 -5.087 1.00 0.00 C ATOM 1262 OG1 THR 2 27 10.475 11.526 -5.614 1.00 0.00 O ATOM 1263 CG2 THR 2 27 10.167 9.256 -6.044 1.00 0.00 C ATOM 0 H THR 2 27 7.063 9.997 -3.683 1.00 0.00 H new ATOM 0 HA THR 2 27 8.244 11.770 -5.602 1.00 0.00 H new ATOM 0 HB THR 2 27 10.034 10.098 -4.065 1.00 0.00 H new ATOM 0 HG1 THR 2 27 10.298 12.306 -5.047 1.00 0.00 H new ATOM 0 HG21 THR 2 27 11.228 9.027 -5.941 1.00 0.00 H new ATOM 0 HG22 THR 2 27 9.579 8.370 -5.804 1.00 0.00 H new ATOM 0 HG23 THR 2 27 9.959 9.562 -7.069 1.00 0.00 H new ATOM 1271 N PRO 2 28 7.567 10.207 -7.429 1.00 0.00 N ATOM 1272 CA PRO 2 28 6.853 9.438 -8.434 1.00 0.00 C ATOM 1273 C PRO 2 28 7.561 8.111 -8.713 1.00 0.00 C ATOM 1274 O PRO 2 28 7.788 7.756 -9.869 1.00 0.00 O ATOM 1275 CB PRO 2 28 6.789 10.345 -9.651 1.00 0.00 C ATOM 1276 CG PRO 2 28 7.866 11.398 -9.445 1.00 0.00 C ATOM 1277 CD PRO 2 28 8.309 11.332 -7.993 1.00 0.00 C ATOM 0 HA PRO 2 28 5.851 9.154 -8.113 1.00 0.00 H new ATOM 0 HB2 PRO 2 28 6.964 9.781 -10.567 1.00 0.00 H new ATOM 0 HB3 PRO 2 28 5.805 10.806 -9.743 1.00 0.00 H new ATOM 0 HG2 PRO 2 28 8.710 11.216 -10.110 1.00 0.00 H new ATOM 0 HG3 PRO 2 28 7.481 12.390 -9.682 1.00 0.00 H new ATOM 0 HD2 PRO 2 28 9.385 11.176 -7.914 1.00 0.00 H new ATOM 0 HD3 PRO 2 28 8.082 12.259 -7.467 1.00 0.00 H new ATOM 1285 N LYS 2 29 7.888 7.413 -7.636 1.00 0.00 N ATOM 1286 CA LYS 2 29 8.565 6.133 -7.750 1.00 0.00 C ATOM 1287 C LYS 2 29 8.728 5.520 -6.358 1.00 0.00 C ATOM 1288 O LYS 2 29 8.954 4.317 -6.227 1.00 0.00 O ATOM 1289 CB LYS 2 29 9.884 6.289 -8.511 1.00 0.00 C ATOM 1290 CG LYS 2 29 10.471 4.925 -8.879 1.00 0.00 C ATOM 1291 CD LYS 2 29 10.773 4.844 -10.376 1.00 0.00 C ATOM 1292 CE LYS 2 29 10.884 3.389 -10.835 1.00 0.00 C ATOM 1293 NZ LYS 2 29 9.821 3.072 -11.814 1.00 0.00 N ATOM 0 H LYS 2 29 7.696 7.710 -6.679 1.00 0.00 H new ATOM 0 HA LYS 2 29 7.965 5.437 -8.337 1.00 0.00 H new ATOM 0 HB2 LYS 2 29 9.719 6.874 -9.416 1.00 0.00 H new ATOM 0 HB3 LYS 2 29 10.597 6.843 -7.900 1.00 0.00 H new ATOM 0 HG2 LYS 2 29 11.385 4.753 -8.310 1.00 0.00 H new ATOM 0 HG3 LYS 2 29 9.770 4.137 -8.603 1.00 0.00 H new ATOM 0 HD2 LYS 2 29 9.986 5.347 -10.937 1.00 0.00 H new ATOM 0 HD3 LYS 2 29 11.703 5.369 -10.592 1.00 0.00 H new ATOM 0 HE2 LYS 2 29 11.863 3.217 -11.283 1.00 0.00 H new ATOM 0 HE3 LYS 2 29 10.805 2.723 -9.975 1.00 0.00 H new ATOM 0 HZ1 LYS 2 29 9.911 2.081 -12.115 1.00 0.00 H new ATOM 0 HZ2 LYS 2 29 8.890 3.217 -11.374 1.00 0.00 H new ATOM 0 HZ3 LYS 2 29 9.914 3.695 -12.642 1.00 0.00 H new ATOM 1307 N GLU 2 30 8.607 6.375 -5.353 1.00 0.00 N ATOM 1308 CA GLU 2 30 8.738 5.932 -3.975 1.00 0.00 C ATOM 1309 C GLU 2 30 7.357 5.746 -3.344 1.00 0.00 C ATOM 1310 O GLU 2 30 7.113 4.756 -2.655 1.00 0.00 O ATOM 1311 CB GLU 2 30 9.584 6.914 -3.162 1.00 0.00 C ATOM 1312 CG GLU 2 30 10.986 6.353 -2.912 1.00 0.00 C ATOM 1313 CD GLU 2 30 11.898 6.599 -4.115 1.00 0.00 C ATOM 1314 OE1 GLU 2 30 12.111 7.789 -4.433 1.00 0.00 O ATOM 1315 OE2 GLU 2 30 12.362 5.591 -4.691 1.00 0.00 O ATOM 0 H GLU 2 30 8.420 7.371 -5.465 1.00 0.00 H new ATOM 0 HA GLU 2 30 9.251 4.970 -3.970 1.00 0.00 H new ATOM 0 HB2 GLU 2 30 9.657 7.863 -3.693 1.00 0.00 H new ATOM 0 HB3 GLU 2 30 9.095 7.119 -2.210 1.00 0.00 H new ATOM 0 HG2 GLU 2 30 11.415 6.819 -2.025 1.00 0.00 H new ATOM 0 HG3 GLU 2 30 10.923 5.283 -2.712 1.00 0.00 H new ATOM 1322 N CYS 2 31 6.489 6.714 -3.600 1.00 0.00 N ATOM 1323 CA CYS 2 31 5.139 6.669 -3.066 1.00 0.00 C ATOM 1324 C CYS 2 31 4.441 5.428 -3.626 1.00 0.00 C ATOM 1325 O CYS 2 31 3.971 4.581 -2.869 1.00 0.00 O ATOM 1326 CB CYS 2 31 4.363 7.950 -3.379 1.00 0.00 C ATOM 1327 SG CYS 2 31 4.918 9.429 -2.454 1.00 0.00 S ATOM 0 H CYS 2 31 6.695 7.534 -4.170 1.00 0.00 H new ATOM 0 HA CYS 2 31 5.178 6.603 -1.979 1.00 0.00 H new ATOM 0 HB2 CYS 2 31 4.443 8.155 -4.447 1.00 0.00 H new ATOM 0 HB3 CYS 2 31 3.308 7.780 -3.166 1.00 0.00 H new ATOM 1332 N ASN 2 32 4.396 5.361 -4.949 1.00 0.00 N ATOM 1333 CA ASN 2 32 3.764 4.237 -5.619 1.00 0.00 C ATOM 1334 C ASN 2 32 4.559 2.963 -5.329 1.00 0.00 C ATOM 1335 O ASN 2 32 4.167 1.873 -5.747 1.00 0.00 O ATOM 1336 CB ASN 2 32 3.739 4.443 -7.135 1.00 0.00 C ATOM 1337 CG ASN 2 32 2.430 5.101 -7.577 1.00 0.00 C ATOM 1338 OD1 ASN 2 32 1.712 4.602 -8.428 1.00 0.00 O ATOM 1339 ND2 ASN 2 32 2.161 6.244 -6.953 1.00 0.00 N ATOM 0 H ASN 2 32 4.786 6.066 -5.574 1.00 0.00 H new ATOM 0 HA ASN 2 32 2.742 4.155 -5.249 1.00 0.00 H new ATOM 0 HB2 ASN 2 32 4.582 5.065 -7.435 1.00 0.00 H new ATOM 0 HB3 ASN 2 32 3.856 3.483 -7.638 1.00 0.00 H new ATOM 0 HD21 ASN 2 32 1.310 6.759 -7.177 1.00 0.00 H new ATOM 0 HD22 ASN 2 32 2.806 6.605 -6.250 1.00 0.00 H new ATOM 1346 N ASN 2 33 5.660 3.140 -4.614 1.00 0.00 N ATOM 1347 CA ASN 2 33 6.514 2.016 -4.264 1.00 0.00 C ATOM 1348 C ASN 2 33 6.284 1.646 -2.797 1.00 0.00 C ATOM 1349 O ASN 2 33 6.432 0.486 -2.416 1.00 0.00 O ATOM 1350 CB ASN 2 33 7.991 2.374 -4.435 1.00 0.00 C ATOM 1351 CG ASN 2 33 8.890 1.297 -3.825 1.00 0.00 C ATOM 1352 OD1 ASN 2 33 8.714 0.109 -4.042 1.00 0.00 O ATOM 1353 ND2 ASN 2 33 9.860 1.775 -3.051 1.00 0.00 N ATOM 0 H ASN 2 33 5.981 4.044 -4.267 1.00 0.00 H new ATOM 0 HA ASN 2 33 6.266 1.184 -4.923 1.00 0.00 H new ATOM 0 HB2 ASN 2 33 8.221 2.488 -5.494 1.00 0.00 H new ATOM 0 HB3 ASN 2 33 8.194 3.334 -3.960 1.00 0.00 H new ATOM 0 HD21 ASN 2 33 10.512 1.135 -2.597 1.00 0.00 H new ATOM 0 HD22 ASN 2 33 9.952 2.781 -2.911 1.00 0.00 H new ATOM 1360 N ARG 2 34 5.926 2.654 -2.014 1.00 0.00 N ATOM 1361 CA ARG 2 34 5.675 2.448 -0.598 1.00 0.00 C ATOM 1362 C ARG 2 34 4.215 2.051 -0.370 1.00 0.00 C ATOM 1363 O ARG 2 34 3.910 1.296 0.553 1.00 0.00 O ATOM 1364 CB ARG 2 34 5.982 3.713 0.205 1.00 0.00 C ATOM 1365 CG ARG 2 34 4.777 4.657 0.226 1.00 0.00 C ATOM 1366 CD ARG 2 34 3.788 4.259 1.322 1.00 0.00 C ATOM 1367 NE ARG 2 34 3.840 5.238 2.431 1.00 0.00 N ATOM 1368 CZ ARG 2 34 3.287 5.040 3.636 1.00 0.00 C ATOM 1369 NH1 ARG 2 34 2.638 3.896 3.895 1.00 0.00 N ATOM 1370 NH2 ARG 2 34 3.384 5.985 4.581 1.00 0.00 N ATOM 0 H ARG 2 34 5.804 3.615 -2.334 1.00 0.00 H new ATOM 0 HA ARG 2 34 6.331 1.647 -0.258 1.00 0.00 H new ATOM 0 HB2 ARG 2 34 6.254 3.443 1.225 1.00 0.00 H new ATOM 0 HB3 ARG 2 34 6.841 4.224 -0.230 1.00 0.00 H new ATOM 0 HG2 ARG 2 34 5.115 5.680 0.390 1.00 0.00 H new ATOM 0 HG3 ARG 2 34 4.278 4.638 -0.743 1.00 0.00 H new ATOM 0 HD2 ARG 2 34 2.779 4.213 0.913 1.00 0.00 H new ATOM 0 HD3 ARG 2 34 4.026 3.263 1.694 1.00 0.00 H new ATOM 0 HE ARG 2 34 4.327 6.119 2.268 1.00 0.00 H new ATOM 0 HH11 ARG 2 34 2.565 3.177 3.175 1.00 0.00 H new ATOM 0 HH12 ARG 2 34 2.217 3.745 4.812 1.00 0.00 H new ATOM 0 HH21 ARG 2 34 3.879 6.855 4.383 1.00 0.00 H new ATOM 0 HH22 ARG 2 34 2.963 5.834 5.498 1.00 0.00 H new ATOM 1384 N GLY 2 35 3.352 2.575 -1.227 1.00 0.00 N ATOM 1385 CA GLY 2 35 1.931 2.283 -1.132 1.00 0.00 C ATOM 1386 C GLY 2 35 1.105 3.571 -1.140 1.00 0.00 C ATOM 1387 O GLY 2 35 -0.016 3.598 -0.635 1.00 0.00 O ATOM 0 H GLY 2 35 3.609 3.200 -1.991 1.00 0.00 H new ATOM 0 HA2 GLY 2 35 1.630 1.648 -1.966 1.00 0.00 H new ATOM 0 HA3 GLY 2 35 1.731 1.724 -0.218 1.00 0.00 H new ATOM 1391 N CYS 2 36 1.692 4.609 -1.720 1.00 0.00 N ATOM 1392 CA CYS 2 36 1.024 5.896 -1.801 1.00 0.00 C ATOM 1393 C CYS 2 36 0.887 6.275 -3.277 1.00 0.00 C ATOM 1394 O CYS 2 36 1.477 5.631 -4.144 1.00 0.00 O ATOM 1395 CB CYS 2 36 1.767 6.970 -1.004 1.00 0.00 C ATOM 1396 SG CYS 2 36 1.912 6.633 0.789 1.00 0.00 S ATOM 0 H CYS 2 36 2.622 4.584 -2.138 1.00 0.00 H new ATOM 0 HA CYS 2 36 0.033 5.823 -1.352 1.00 0.00 H new ATOM 0 HB2 CYS 2 36 2.768 7.084 -1.420 1.00 0.00 H new ATOM 0 HB3 CYS 2 36 1.255 7.923 -1.140 1.00 0.00 H new ATOM 1401 N CYS 2 37 0.106 7.317 -3.518 1.00 0.00 N ATOM 1402 CA CYS 2 37 -0.117 7.788 -4.874 1.00 0.00 C ATOM 1403 C CYS 2 37 0.550 9.158 -5.022 1.00 0.00 C ATOM 1404 O CYS 2 37 0.396 10.022 -4.161 1.00 0.00 O ATOM 1405 CB CYS 2 37 -1.607 7.839 -5.218 1.00 0.00 C ATOM 1406 SG CYS 2 37 -2.021 7.290 -6.914 1.00 0.00 S ATOM 0 H CYS 2 37 -0.381 7.849 -2.797 1.00 0.00 H new ATOM 0 HA CYS 2 37 0.328 7.089 -5.582 1.00 0.00 H new ATOM 0 HB2 CYS 2 37 -2.151 7.218 -4.507 1.00 0.00 H new ATOM 0 HB3 CYS 2 37 -1.962 8.861 -5.085 1.00 0.00 H new ATOM 0 HG CYS 2 37 -3.306 7.372 -7.095 1.00 0.00 H new ATOM 1411 N PHE 2 38 1.275 9.311 -6.119 1.00 0.00 N ATOM 1412 CA PHE 2 38 1.966 10.560 -6.391 1.00 0.00 C ATOM 1413 C PHE 2 38 1.064 11.530 -7.157 1.00 0.00 C ATOM 1414 O PHE 2 38 0.550 11.195 -8.223 1.00 0.00 O ATOM 1415 CB PHE 2 38 3.182 10.220 -7.258 1.00 0.00 C ATOM 1416 CG PHE 2 38 4.195 11.360 -7.382 1.00 0.00 C ATOM 1417 CD1 PHE 2 38 5.014 11.658 -6.338 1.00 0.00 C ATOM 1418 CD2 PHE 2 38 4.277 12.073 -8.537 1.00 0.00 C ATOM 1419 CE1 PHE 2 38 5.954 12.716 -6.453 1.00 0.00 C ATOM 1420 CE2 PHE 2 38 5.218 13.131 -8.653 1.00 0.00 C ATOM 1421 CZ PHE 2 38 6.037 13.429 -7.608 1.00 0.00 C ATOM 0 H PHE 2 38 1.399 8.591 -6.831 1.00 0.00 H new ATOM 0 HA PHE 2 38 2.255 11.037 -5.454 1.00 0.00 H new ATOM 0 HB2 PHE 2 38 3.682 9.347 -6.838 1.00 0.00 H new ATOM 0 HB3 PHE 2 38 2.839 9.942 -8.255 1.00 0.00 H new ATOM 0 HD1 PHE 2 38 4.949 11.090 -5.422 1.00 0.00 H new ATOM 0 HD2 PHE 2 38 3.627 11.835 -9.366 1.00 0.00 H new ATOM 0 HE1 PHE 2 38 6.603 12.954 -5.623 1.00 0.00 H new ATOM 0 HE2 PHE 2 38 5.283 13.698 -9.570 1.00 0.00 H new ATOM 0 HZ PHE 2 38 6.753 14.232 -7.696 1.00 0.00 H new ATOM 1431 N ASP 2 39 0.900 12.713 -6.583 1.00 0.00 N ATOM 1432 CA ASP 2 39 0.069 13.734 -7.199 1.00 0.00 C ATOM 1433 C ASP 2 39 0.653 14.107 -8.563 1.00 0.00 C ATOM 1434 O ASP 2 39 0.437 13.404 -9.548 1.00 0.00 O ATOM 1435 CB ASP 2 39 0.025 15.000 -6.340 1.00 0.00 C ATOM 1436 CG ASP 2 39 -0.556 16.233 -7.035 1.00 0.00 C ATOM 1437 OD1 ASP 2 39 -1.729 16.146 -7.457 1.00 0.00 O ATOM 1438 OD2 ASP 2 39 0.187 17.234 -7.129 1.00 0.00 O ATOM 0 H ASP 2 39 1.328 12.987 -5.699 1.00 0.00 H new ATOM 0 HA ASP 2 39 -0.939 13.332 -7.301 1.00 0.00 H new ATOM 0 HB2 ASP 2 39 -0.564 14.794 -5.446 1.00 0.00 H new ATOM 0 HB3 ASP 2 39 1.037 15.231 -6.009 1.00 0.00 H new ATOM 1443 N SER 2 40 1.382 15.214 -8.576 1.00 0.00 N ATOM 1444 CA SER 2 40 1.998 15.689 -9.802 1.00 0.00 C ATOM 1445 C SER 2 40 1.048 16.641 -10.531 1.00 0.00 C ATOM 1446 O SER 2 40 1.433 17.280 -11.509 1.00 0.00 O ATOM 1447 CB SER 2 40 2.385 14.522 -10.713 1.00 0.00 C ATOM 1448 OG SER 2 40 3.456 14.860 -11.589 1.00 0.00 O ATOM 0 H SER 2 40 1.559 15.795 -7.757 1.00 0.00 H new ATOM 0 HA SER 2 40 2.909 16.227 -9.540 1.00 0.00 H new ATOM 0 HB2 SER 2 40 2.673 13.666 -10.103 1.00 0.00 H new ATOM 0 HB3 SER 2 40 1.519 14.218 -11.300 1.00 0.00 H new ATOM 0 HG SER 2 40 3.674 14.088 -12.152 1.00 0.00 H new ATOM 1454 N ARG 2 41 -0.176 16.702 -10.029 1.00 0.00 N ATOM 1455 CA ARG 2 41 -1.186 17.564 -10.620 1.00 0.00 C ATOM 1456 C ARG 2 41 -1.171 18.938 -9.948 1.00 0.00 C ATOM 1457 O ARG 2 41 -0.980 19.957 -10.612 1.00 0.00 O ATOM 1458 CB ARG 2 41 -2.581 16.953 -10.485 1.00 0.00 C ATOM 1459 CG ARG 2 41 -2.590 15.496 -10.953 1.00 0.00 C ATOM 1460 CD ARG 2 41 -3.826 15.202 -11.806 1.00 0.00 C ATOM 1461 NE ARG 2 41 -3.493 15.337 -13.242 1.00 0.00 N ATOM 1462 CZ ARG 2 41 -4.264 14.877 -14.237 1.00 0.00 C ATOM 1463 NH1 ARG 2 41 -5.416 14.252 -13.959 1.00 0.00 N ATOM 1464 NH2 ARG 2 41 -3.882 15.044 -15.511 1.00 0.00 N ATOM 0 H ARG 2 41 -0.492 16.168 -9.219 1.00 0.00 H new ATOM 0 HA ARG 2 41 -0.951 17.671 -11.679 1.00 0.00 H new ATOM 0 HB2 ARG 2 41 -2.906 17.007 -9.446 1.00 0.00 H new ATOM 0 HB3 ARG 2 41 -3.294 17.532 -11.073 1.00 0.00 H new ATOM 0 HG2 ARG 2 41 -1.688 15.290 -11.530 1.00 0.00 H new ATOM 0 HG3 ARG 2 41 -2.574 14.832 -10.088 1.00 0.00 H new ATOM 0 HD2 ARG 2 41 -4.188 14.195 -11.601 1.00 0.00 H new ATOM 0 HD3 ARG 2 41 -4.631 15.889 -11.544 1.00 0.00 H new ATOM 0 HE ARG 2 41 -2.623 15.809 -13.489 1.00 0.00 H new ATOM 0 HH11 ARG 2 41 -5.707 14.126 -12.989 1.00 0.00 H new ATOM 0 HH12 ARG 2 41 -6.002 13.902 -14.717 1.00 0.00 H new ATOM 0 HH21 ARG 2 41 -3.005 15.521 -15.722 1.00 0.00 H new ATOM 0 HH22 ARG 2 41 -4.468 14.694 -16.269 1.00 0.00 H new ATOM 1478 N ILE 2 42 -1.373 18.924 -8.639 1.00 0.00 N ATOM 1479 CA ILE 2 42 -1.384 20.156 -7.870 1.00 0.00 C ATOM 1480 C ILE 2 42 -0.276 20.105 -6.817 1.00 0.00 C ATOM 1481 O ILE 2 42 -0.206 19.165 -6.028 1.00 0.00 O ATOM 1482 CB ILE 2 42 -2.776 20.410 -7.285 1.00 0.00 C ATOM 1483 CG1 ILE 2 42 -3.855 19.718 -8.121 1.00 0.00 C ATOM 1484 CG2 ILE 2 42 -3.041 21.908 -7.133 1.00 0.00 C ATOM 1485 CD1 ILE 2 42 -5.254 20.068 -7.607 1.00 0.00 C ATOM 0 H ILE 2 42 -1.530 18.078 -8.091 1.00 0.00 H new ATOM 0 HA ILE 2 42 -1.173 21.009 -8.515 1.00 0.00 H new ATOM 0 HB ILE 2 42 -2.813 19.974 -6.287 1.00 0.00 H new ATOM 0 HG12 ILE 2 42 -3.761 20.019 -9.164 1.00 0.00 H new ATOM 0 HG13 ILE 2 42 -3.710 18.638 -8.087 1.00 0.00 H new ATOM 0 HG21 ILE 2 42 -4.036 22.061 -6.716 1.00 0.00 H new ATOM 0 HG22 ILE 2 42 -2.297 22.343 -6.466 1.00 0.00 H new ATOM 0 HG23 ILE 2 42 -2.979 22.389 -8.109 1.00 0.00 H new ATOM 0 HD11 ILE 2 42 -6.003 19.564 -8.218 1.00 0.00 H new ATOM 0 HD12 ILE 2 42 -5.353 19.744 -6.571 1.00 0.00 H new ATOM 0 HD13 ILE 2 42 -5.404 21.146 -7.666 1.00 0.00 H new ATOM 1497 N PRO 2 43 0.587 21.157 -6.839 1.00 0.00 N ATOM 1498 CA PRO 2 43 1.689 21.242 -5.896 1.00 0.00 C ATOM 1499 C PRO 2 43 1.191 21.634 -4.504 1.00 0.00 C ATOM 1500 O PRO 2 43 1.953 21.611 -3.538 1.00 0.00 O ATOM 1501 CB PRO 2 43 2.642 22.262 -6.496 1.00 0.00 C ATOM 1502 CG PRO 2 43 1.827 23.050 -7.508 1.00 0.00 C ATOM 1503 CD PRO 2 43 0.535 22.290 -7.759 1.00 0.00 C ATOM 0 HA PRO 2 43 2.192 20.286 -5.749 1.00 0.00 H new ATOM 0 HB2 PRO 2 43 3.047 22.918 -5.726 1.00 0.00 H new ATOM 0 HB3 PRO 2 43 3.489 21.771 -6.975 1.00 0.00 H new ATOM 0 HG2 PRO 2 43 1.614 24.050 -7.131 1.00 0.00 H new ATOM 0 HG3 PRO 2 43 2.385 23.171 -8.436 1.00 0.00 H new ATOM 0 HD2 PRO 2 43 -0.336 22.916 -7.567 1.00 0.00 H new ATOM 0 HD3 PRO 2 43 0.466 21.957 -8.794 1.00 0.00 H new ATOM 1511 N GLY 2 44 -0.085 21.986 -4.444 1.00 0.00 N ATOM 1512 CA GLY 2 44 -0.694 22.383 -3.186 1.00 0.00 C ATOM 1513 C GLY 2 44 -1.374 21.194 -2.506 1.00 0.00 C ATOM 1514 O GLY 2 44 -1.822 21.299 -1.365 1.00 0.00 O ATOM 0 H GLY 2 44 -0.714 22.004 -5.247 1.00 0.00 H new ATOM 0 HA2 GLY 2 44 0.067 22.798 -2.525 1.00 0.00 H new ATOM 0 HA3 GLY 2 44 -1.425 23.171 -3.365 1.00 0.00 H new ATOM 1518 N VAL 2 45 -1.429 20.089 -3.235 1.00 0.00 N ATOM 1519 CA VAL 2 45 -2.047 18.880 -2.716 1.00 0.00 C ATOM 1520 C VAL 2 45 -0.955 17.890 -2.306 1.00 0.00 C ATOM 1521 O VAL 2 45 0.226 18.121 -2.564 1.00 0.00 O ATOM 1522 CB VAL 2 45 -3.018 18.304 -3.748 1.00 0.00 C ATOM 1523 CG1 VAL 2 45 -2.488 16.992 -4.328 1.00 0.00 C ATOM 1524 CG2 VAL 2 45 -4.411 18.114 -3.143 1.00 0.00 C ATOM 0 H VAL 2 45 -1.056 20.005 -4.181 1.00 0.00 H new ATOM 0 HA VAL 2 45 -2.635 19.104 -1.826 1.00 0.00 H new ATOM 0 HB VAL 2 45 -3.102 19.020 -4.565 1.00 0.00 H new ATOM 0 HG11 VAL 2 45 -3.198 16.604 -5.059 1.00 0.00 H new ATOM 0 HG12 VAL 2 45 -1.528 17.170 -4.813 1.00 0.00 H new ATOM 0 HG13 VAL 2 45 -2.360 16.265 -3.526 1.00 0.00 H new ATOM 0 HG21 VAL 2 45 -5.082 17.703 -3.897 1.00 0.00 H new ATOM 0 HG22 VAL 2 45 -4.350 17.427 -2.299 1.00 0.00 H new ATOM 0 HG23 VAL 2 45 -4.794 19.076 -2.802 1.00 0.00 H new ATOM 1534 N PRO 2 46 -1.399 16.780 -1.656 1.00 0.00 N ATOM 1535 CA PRO 2 46 -0.472 15.755 -1.209 1.00 0.00 C ATOM 1536 C PRO 2 46 0.023 14.911 -2.385 1.00 0.00 C ATOM 1537 O PRO 2 46 -0.762 14.214 -3.027 1.00 0.00 O ATOM 1538 CB PRO 2 46 -1.247 14.946 -0.182 1.00 0.00 C ATOM 1539 CG PRO 2 46 -2.716 15.254 -0.431 1.00 0.00 C ATOM 1540 CD PRO 2 46 -2.789 16.474 -1.334 1.00 0.00 C ATOM 0 HA PRO 2 46 0.434 16.171 -0.769 1.00 0.00 H new ATOM 0 HB2 PRO 2 46 -1.047 13.880 -0.293 1.00 0.00 H new ATOM 0 HB3 PRO 2 46 -0.957 15.221 0.832 1.00 0.00 H new ATOM 0 HG2 PRO 2 46 -3.211 14.403 -0.899 1.00 0.00 H new ATOM 0 HG3 PRO 2 46 -3.231 15.444 0.511 1.00 0.00 H new ATOM 0 HD2 PRO 2 46 -3.368 16.266 -2.234 1.00 0.00 H new ATOM 0 HD3 PRO 2 46 -3.272 17.311 -0.830 1.00 0.00 H new ATOM 1548 N TRP 2 47 1.321 15.001 -2.633 1.00 0.00 N ATOM 1549 CA TRP 2 47 1.929 14.254 -3.720 1.00 0.00 C ATOM 1550 C TRP 2 47 2.308 12.870 -3.190 1.00 0.00 C ATOM 1551 O TRP 2 47 3.285 12.275 -3.641 1.00 0.00 O ATOM 1552 CB TRP 2 47 3.119 15.015 -4.309 1.00 0.00 C ATOM 1553 CG TRP 2 47 3.175 16.490 -3.907 1.00 0.00 C ATOM 1554 CD1 TRP 2 47 2.479 17.513 -4.424 1.00 0.00 C ATOM 1555 CD2 TRP 2 47 4.004 17.071 -2.878 1.00 0.00 C ATOM 1556 NE1 TRP 2 47 2.797 18.705 -3.804 1.00 0.00 N ATOM 1557 CE2 TRP 2 47 3.754 18.427 -2.834 1.00 0.00 C ATOM 1558 CE3 TRP 2 47 4.934 16.469 -2.012 1.00 0.00 C ATOM 1559 CZ2 TRP 2 47 4.394 19.296 -1.943 1.00 0.00 C ATOM 1560 CZ3 TRP 2 47 5.565 17.351 -1.126 1.00 0.00 C ATOM 1561 CH2 TRP 2 47 5.324 18.719 -1.071 1.00 0.00 C ATOM 0 H TRP 2 47 1.969 15.580 -2.099 1.00 0.00 H new ATOM 0 HA TRP 2 47 1.226 14.130 -4.543 1.00 0.00 H new ATOM 0 HB2 TRP 2 47 4.041 14.528 -3.993 1.00 0.00 H new ATOM 0 HB3 TRP 2 47 3.079 14.947 -5.396 1.00 0.00 H new ATOM 0 HD1 TRP 2 47 1.760 17.417 -5.224 1.00 0.00 H new ATOM 0 HE1 TRP 2 47 2.403 19.621 -4.018 1.00 0.00 H new ATOM 0 HE3 TRP 2 47 5.145 15.410 -2.029 1.00 0.00 H new ATOM 0 HZ2 TRP 2 47 4.182 20.355 -1.929 1.00 0.00 H new ATOM 0 HZ3 TRP 2 47 6.289 16.940 -0.438 1.00 0.00 H new ATOM 0 HH2 TRP 2 47 5.853 19.334 -0.358 1.00 0.00 H new ATOM 1572 N CYS 2 48 1.514 12.399 -2.239 1.00 0.00 N ATOM 1573 CA CYS 2 48 1.755 11.095 -1.643 1.00 0.00 C ATOM 1574 C CYS 2 48 0.590 10.776 -0.704 1.00 0.00 C ATOM 1575 O CYS 2 48 0.581 11.206 0.449 1.00 0.00 O ATOM 1576 CB CYS 2 48 3.102 11.043 -0.920 1.00 0.00 C ATOM 1577 SG CYS 2 48 3.846 9.375 -0.804 1.00 0.00 S ATOM 0 H CYS 2 48 0.705 12.896 -1.867 1.00 0.00 H new ATOM 0 HA CYS 2 48 1.809 10.338 -2.425 1.00 0.00 H new ATOM 0 HB2 CYS 2 48 3.801 11.702 -1.435 1.00 0.00 H new ATOM 0 HB3 CYS 2 48 2.973 11.439 0.087 1.00 0.00 H new ATOM 1582 N PHE 2 49 -0.365 10.024 -1.231 1.00 0.00 N ATOM 1583 CA PHE 2 49 -1.532 9.641 -0.453 1.00 0.00 C ATOM 1584 C PHE 2 49 -1.865 8.161 -0.657 1.00 0.00 C ATOM 1585 O PHE 2 49 -1.136 7.446 -1.343 1.00 0.00 O ATOM 1586 CB PHE 2 49 -2.702 10.489 -0.956 1.00 0.00 C ATOM 1587 CG PHE 2 49 -2.607 10.865 -2.437 1.00 0.00 C ATOM 1588 CD1 PHE 2 49 -1.564 11.616 -2.881 1.00 0.00 C ATOM 1589 CD2 PHE 2 49 -3.565 10.448 -3.306 1.00 0.00 C ATOM 1590 CE1 PHE 2 49 -1.476 11.966 -4.255 1.00 0.00 C ATOM 1591 CE2 PHE 2 49 -3.478 10.797 -4.680 1.00 0.00 C ATOM 1592 CZ PHE 2 49 -2.435 11.548 -5.126 1.00 0.00 C ATOM 0 H PHE 2 49 -0.355 9.669 -2.187 1.00 0.00 H new ATOM 0 HA PHE 2 49 -1.341 9.800 0.608 1.00 0.00 H new ATOM 0 HB2 PHE 2 49 -3.631 9.944 -0.789 1.00 0.00 H new ATOM 0 HB3 PHE 2 49 -2.757 11.402 -0.363 1.00 0.00 H new ATOM 0 HD1 PHE 2 49 -0.803 11.946 -2.189 1.00 0.00 H new ATOM 0 HD2 PHE 2 49 -4.393 9.851 -2.952 1.00 0.00 H new ATOM 0 HE1 PHE 2 49 -0.649 12.563 -4.608 1.00 0.00 H new ATOM 0 HE2 PHE 2 49 -4.240 10.466 -5.371 1.00 0.00 H new ATOM 0 HZ PHE 2 49 -2.368 11.813 -6.171 1.00 0.00 H new ATOM 1602 N LYS 2 50 -2.966 7.747 -0.049 1.00 0.00 N ATOM 1603 CA LYS 2 50 -3.406 6.366 -0.154 1.00 0.00 C ATOM 1604 C LYS 2 50 -4.826 6.329 -0.724 1.00 0.00 C ATOM 1605 O LYS 2 50 -5.774 5.992 -0.015 1.00 0.00 O ATOM 1606 CB LYS 2 50 -3.264 5.653 1.192 1.00 0.00 C ATOM 1607 CG LYS 2 50 -3.693 6.567 2.343 1.00 0.00 C ATOM 1608 CD LYS 2 50 -2.478 7.200 3.023 1.00 0.00 C ATOM 1609 CE LYS 2 50 -1.671 6.151 3.792 1.00 0.00 C ATOM 1610 NZ LYS 2 50 -2.111 6.092 5.204 1.00 0.00 N ATOM 0 H LYS 2 50 -3.567 8.344 0.519 1.00 0.00 H new ATOM 0 HA LYS 2 50 -2.770 5.816 -0.847 1.00 0.00 H new ATOM 0 HB2 LYS 2 50 -3.872 4.748 1.195 1.00 0.00 H new ATOM 0 HB3 LYS 2 50 -2.229 5.342 1.336 1.00 0.00 H new ATOM 0 HG2 LYS 2 50 -4.351 7.349 1.965 1.00 0.00 H new ATOM 0 HG3 LYS 2 50 -4.265 5.994 3.073 1.00 0.00 H new ATOM 0 HD2 LYS 2 50 -1.844 7.675 2.274 1.00 0.00 H new ATOM 0 HD3 LYS 2 50 -2.806 7.984 3.706 1.00 0.00 H new ATOM 0 HE2 LYS 2 50 -1.795 5.174 3.325 1.00 0.00 H new ATOM 0 HE3 LYS 2 50 -0.609 6.394 3.745 1.00 0.00 H new ATOM 0 HZ1 LYS 2 50 -2.037 5.114 5.550 1.00 0.00 H new ATOM 0 HZ2 LYS 2 50 -1.507 6.710 5.782 1.00 0.00 H new ATOM 0 HZ3 LYS 2 50 -3.099 6.410 5.273 1.00 0.00 H new ATOM 1624 N PRO 2 51 -4.931 6.690 -2.031 1.00 0.00 N ATOM 1625 CA PRO 2 51 -6.219 6.701 -2.703 1.00 0.00 C ATOM 1626 C PRO 2 51 -6.684 5.279 -3.022 1.00 0.00 C ATOM 1627 O PRO 2 51 -7.190 4.577 -2.149 1.00 0.00 O ATOM 1628 CB PRO 2 51 -6.007 7.550 -3.946 1.00 0.00 C ATOM 1629 CG PRO 2 51 -4.504 7.596 -4.167 1.00 0.00 C ATOM 1630 CD PRO 2 51 -3.831 7.095 -2.900 1.00 0.00 C ATOM 0 HA PRO 2 51 -7.013 7.117 -2.083 1.00 0.00 H new ATOM 0 HB2 PRO 2 51 -6.515 7.116 -4.807 1.00 0.00 H new ATOM 0 HB3 PRO 2 51 -6.413 8.552 -3.808 1.00 0.00 H new ATOM 0 HG2 PRO 2 51 -4.224 6.976 -5.019 1.00 0.00 H new ATOM 0 HG3 PRO 2 51 -4.182 8.613 -4.394 1.00 0.00 H new ATOM 0 HD2 PRO 2 51 -3.164 6.259 -3.110 1.00 0.00 H new ATOM 0 HD3 PRO 2 51 -3.227 7.876 -2.437 1.00 0.00 H new ATOM 1638 N LEU 2 52 -6.493 4.896 -4.276 1.00 0.00 N ATOM 1639 CA LEU 2 52 -6.886 3.570 -4.722 1.00 0.00 C ATOM 1640 C LEU 2 52 -5.655 2.661 -4.750 1.00 0.00 C ATOM 1641 O LEU 2 52 -5.528 1.811 -5.630 1.00 0.00 O ATOM 1642 CB LEU 2 52 -7.622 3.652 -6.061 1.00 0.00 C ATOM 1643 CG LEU 2 52 -6.754 3.514 -7.313 1.00 0.00 C ATOM 1644 CD1 LEU 2 52 -5.342 4.045 -7.062 1.00 0.00 C ATOM 1645 CD2 LEU 2 52 -6.741 2.068 -7.815 1.00 0.00 C ATOM 0 H LEU 2 52 -6.071 5.481 -4.997 1.00 0.00 H new ATOM 0 HA LEU 2 52 -7.594 3.126 -4.022 1.00 0.00 H new ATOM 0 HB2 LEU 2 52 -8.383 2.872 -6.083 1.00 0.00 H new ATOM 0 HB3 LEU 2 52 -8.144 4.608 -6.108 1.00 0.00 H new ATOM 0 HG LEU 2 52 -7.193 4.125 -8.102 1.00 0.00 H new ATOM 0 HD11 LEU 2 52 -4.746 3.935 -7.968 1.00 0.00 H new ATOM 0 HD12 LEU 2 52 -5.393 5.098 -6.787 1.00 0.00 H new ATOM 0 HD13 LEU 2 52 -4.880 3.480 -6.252 1.00 0.00 H new ATOM 0 HD21 LEU 2 52 -6.117 1.998 -8.706 1.00 0.00 H new ATOM 0 HD22 LEU 2 52 -6.340 1.417 -7.038 1.00 0.00 H new ATOM 0 HD23 LEU 2 52 -7.757 1.758 -8.059 1.00 0.00 H new ATOM 1657 N GLN 2 53 -4.781 2.872 -3.778 1.00 0.00 N ATOM 1658 CA GLN 2 53 -3.565 2.081 -3.681 1.00 0.00 C ATOM 1659 C GLN 2 53 -3.886 0.594 -3.835 1.00 0.00 C ATOM 1660 O GLN 2 53 -3.016 -0.197 -4.200 1.00 0.00 O ATOM 1661 CB GLN 2 53 -2.840 2.353 -2.361 1.00 0.00 C ATOM 1662 CG GLN 2 53 -2.446 3.826 -2.244 1.00 0.00 C ATOM 1663 CD GLN 2 53 -1.470 4.223 -3.355 1.00 0.00 C ATOM 1664 OE1 GLN 2 53 -0.267 4.052 -3.250 1.00 0.00 O ATOM 1665 NE2 GLN 2 53 -2.056 4.761 -4.422 1.00 0.00 N ATOM 0 H GLN 2 53 -4.890 3.579 -3.051 1.00 0.00 H new ATOM 0 HA GLN 2 53 -2.897 2.373 -4.491 1.00 0.00 H new ATOM 0 HB2 GLN 2 53 -3.484 2.078 -1.525 1.00 0.00 H new ATOM 0 HB3 GLN 2 53 -1.949 1.729 -2.296 1.00 0.00 H new ATOM 0 HG2 GLN 2 53 -3.338 4.450 -2.299 1.00 0.00 H new ATOM 0 HG3 GLN 2 53 -1.989 4.008 -1.271 1.00 0.00 H new ATOM 0 HE21 GLN 2 53 -3.069 4.875 -4.444 1.00 0.00 H new ATOM 0 HE22 GLN 2 53 -1.492 5.059 -5.218 1.00 0.00 H new ATOM 1674 N GLU 2 54 -5.135 0.257 -3.551 1.00 0.00 N ATOM 1675 CA GLU 2 54 -5.581 -1.122 -3.653 1.00 0.00 C ATOM 1676 C GLU 2 54 -4.894 -1.815 -4.832 1.00 0.00 C ATOM 1677 O GLU 2 54 -4.706 -3.030 -4.818 1.00 0.00 O ATOM 1678 CB GLU 2 54 -7.103 -1.198 -3.783 1.00 0.00 C ATOM 1679 CG GLU 2 54 -7.583 -0.475 -5.043 1.00 0.00 C ATOM 1680 CD GLU 2 54 -8.627 -1.308 -5.788 1.00 0.00 C ATOM 1681 OE1 GLU 2 54 -8.437 -2.543 -5.841 1.00 0.00 O ATOM 1682 OE2 GLU 2 54 -9.593 -0.693 -6.289 1.00 0.00 O ATOM 0 H GLU 2 54 -5.853 0.916 -3.250 1.00 0.00 H new ATOM 0 HA GLU 2 54 -5.302 -1.643 -2.737 1.00 0.00 H new ATOM 0 HB2 GLU 2 54 -7.417 -2.241 -3.816 1.00 0.00 H new ATOM 0 HB3 GLU 2 54 -7.569 -0.753 -2.904 1.00 0.00 H new ATOM 0 HG2 GLU 2 54 -8.009 0.491 -4.772 1.00 0.00 H new ATOM 0 HG3 GLU 2 54 -6.735 -0.277 -5.699 1.00 0.00 H new ATOM 1689 N ALA 2 55 -4.541 -1.012 -5.825 1.00 0.00 N ATOM 1690 CA ALA 2 55 -3.879 -1.533 -7.010 1.00 0.00 C ATOM 1691 C ALA 2 55 -3.024 -2.740 -6.622 1.00 0.00 C ATOM 1692 O ALA 2 55 -3.251 -3.847 -7.106 1.00 0.00 O ATOM 1693 CB ALA 2 55 -3.057 -0.422 -7.665 1.00 0.00 C ATOM 0 H ALA 2 55 -4.701 -0.005 -5.834 1.00 0.00 H new ATOM 0 HA ALA 2 55 -4.612 -1.871 -7.742 1.00 0.00 H new ATOM 0 HB1 ALA 2 55 -2.561 -0.812 -8.553 1.00 0.00 H new ATOM 0 HB2 ALA 2 55 -3.716 0.399 -7.948 1.00 0.00 H new ATOM 0 HB3 ALA 2 55 -2.308 -0.060 -6.961 1.00 0.00 H new ATOM 1699 N GLU 2 56 -2.058 -2.486 -5.752 1.00 0.00 N ATOM 1700 CA GLU 2 56 -1.167 -3.538 -5.294 1.00 0.00 C ATOM 1701 C GLU 2 56 -0.814 -3.330 -3.820 1.00 0.00 C ATOM 1702 O GLU 2 56 0.135 -3.927 -3.314 1.00 0.00 O ATOM 1703 CB GLU 2 56 0.096 -3.601 -6.155 1.00 0.00 C ATOM 1704 CG GLU 2 56 0.942 -2.339 -5.982 1.00 0.00 C ATOM 1705 CD GLU 2 56 0.854 -1.445 -7.220 1.00 0.00 C ATOM 1706 OE1 GLU 2 56 1.296 -1.914 -8.292 1.00 0.00 O ATOM 1707 OE2 GLU 2 56 0.349 -0.313 -7.068 1.00 0.00 O ATOM 0 H GLU 2 56 -1.873 -1.566 -5.352 1.00 0.00 H new ATOM 0 HA GLU 2 56 -1.683 -4.493 -5.394 1.00 0.00 H new ATOM 0 HB2 GLU 2 56 0.684 -4.477 -5.881 1.00 0.00 H new ATOM 0 HB3 GLU 2 56 -0.180 -3.717 -7.203 1.00 0.00 H new ATOM 0 HG2 GLU 2 56 0.603 -1.787 -5.106 1.00 0.00 H new ATOM 0 HG3 GLU 2 56 1.981 -2.615 -5.802 1.00 0.00 H new ATOM 1714 N CYS 2 57 -1.598 -2.481 -3.170 1.00 0.00 N ATOM 1715 CA CYS 2 57 -1.380 -2.187 -1.765 1.00 0.00 C ATOM 1716 C CYS 2 57 -2.189 -3.186 -0.933 1.00 0.00 C ATOM 1717 O CYS 2 57 -1.629 -3.921 -0.122 1.00 0.00 O ATOM 1718 CB CYS 2 57 -1.742 -0.739 -1.426 1.00 0.00 C ATOM 1719 SG CYS 2 57 -0.377 0.245 -0.706 1.00 0.00 S ATOM 0 H CYS 2 57 -2.385 -1.988 -3.592 1.00 0.00 H new ATOM 0 HA CYS 2 57 -0.321 -2.293 -1.530 1.00 0.00 H new ATOM 0 HB2 CYS 2 57 -2.089 -0.244 -2.333 1.00 0.00 H new ATOM 0 HB3 CYS 2 57 -2.577 -0.743 -0.726 1.00 0.00 H new ATOM 1724 N THR 2 58 -3.494 -3.180 -1.166 1.00 0.00 N ATOM 1725 CA THR 2 58 -4.385 -4.076 -0.450 1.00 0.00 C ATOM 1726 C THR 2 58 -4.183 -5.519 -0.921 1.00 0.00 C ATOM 1727 O THR 2 58 -4.259 -6.451 -0.124 1.00 0.00 O ATOM 1728 CB THR 2 58 -5.817 -3.570 -0.639 1.00 0.00 C ATOM 1729 OG1 THR 2 58 -6.566 -4.273 0.348 1.00 0.00 O ATOM 1730 CG2 THR 2 58 -6.428 -4.026 -1.966 1.00 0.00 C ATOM 0 H THR 2 58 -3.955 -2.569 -1.840 1.00 0.00 H new ATOM 0 HA THR 2 58 -4.165 -4.082 0.618 1.00 0.00 H new ATOM 0 HB THR 2 58 -5.827 -2.481 -0.590 1.00 0.00 H new ATOM 0 HG1 THR 2 58 -7.507 -4.004 0.298 1.00 0.00 H new ATOM 0 HG21 THR 2 58 -7.444 -3.640 -2.050 1.00 0.00 H new ATOM 0 HG22 THR 2 58 -5.826 -3.648 -2.793 1.00 0.00 H new ATOM 0 HG23 THR 2 58 -6.449 -5.115 -2.001 1.00 0.00 H new ATOM 1738 N PHE 2 59 -3.929 -5.654 -2.214 1.00 0.00 N ATOM 1739 CA PHE 2 59 -3.715 -6.967 -2.801 1.00 0.00 C ATOM 1740 C PHE 2 59 -2.615 -7.726 -2.059 1.00 0.00 C ATOM 1741 O PHE 2 59 -2.290 -8.859 -2.413 1.00 0.00 O ATOM 1742 CB PHE 2 59 -3.277 -6.743 -4.249 1.00 0.00 C ATOM 1743 CG PHE 2 59 -4.416 -6.845 -5.266 1.00 0.00 C ATOM 1744 CD1 PHE 2 59 -5.420 -5.929 -5.258 1.00 0.00 C ATOM 1745 CD2 PHE 2 59 -4.421 -7.853 -6.180 1.00 0.00 C ATOM 1746 CE1 PHE 2 59 -6.476 -6.025 -6.202 1.00 0.00 C ATOM 1747 CE2 PHE 2 59 -5.478 -7.948 -7.124 1.00 0.00 C ATOM 1748 CZ PHE 2 59 -6.483 -7.032 -7.116 1.00 0.00 C ATOM 0 H PHE 2 59 -3.866 -4.877 -2.872 1.00 0.00 H new ATOM 0 HA PHE 2 59 -4.630 -7.556 -2.739 1.00 0.00 H new ATOM 0 HB2 PHE 2 59 -2.818 -5.758 -4.331 1.00 0.00 H new ATOM 0 HB3 PHE 2 59 -2.510 -7.474 -4.503 1.00 0.00 H new ATOM 0 HD1 PHE 2 59 -5.414 -5.128 -4.534 1.00 0.00 H new ATOM 0 HD2 PHE 2 59 -3.622 -8.580 -6.188 1.00 0.00 H new ATOM 0 HE1 PHE 2 59 -7.274 -5.298 -6.194 1.00 0.00 H new ATOM 0 HE2 PHE 2 59 -5.484 -8.749 -7.849 1.00 0.00 H new ATOM 0 HZ PHE 2 59 -7.286 -7.104 -7.835 1.00 0.00 H new