USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=15 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 -15:sc= 0.826 USER MOD Single : 1 25 HIS : no HD1:sc= -0.388 X(o=-0.39,f=-0.097) USER MOD Single : 1 27 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 32 ASN :FLIP amide:sc= -0.294 F(o=-2.3,f=-0.29) USER MOD Single : 1 33 ASN : amide:sc= -0.131 K(o=-0.13,f=-2.3!) USER MOD Single : 1 37 CYS SG : rot 180:sc= -0.236 USER MOD Single : 1 40 SER OG : rot -174:sc= -0.324 USER MOD Single : 1 50 LYS NZ :NH3+ -150:sc= -1.11 (180deg=-1.94!) USER MOD Single : 1 53 GLN : amide:sc= -11.5! C(o=-11!,f=-17!) USER MOD Single : 1 58 THR OG1 : rot 180:sc= 0 USER MOD Single : 2 23 TYR OH : rot 180:sc= -0.296 USER MOD Single : 2 25 HIS : no HD1:sc= -0.016 X(o=-0.016,f=0) USER MOD Single : 2 27 THR OG1 : rot 180:sc= -0.114 USER MOD Single : 2 29 LYS NZ :NH3+ -117:sc= 0.00603 (180deg=0) USER MOD Single : 2 32 ASN :FLIP amide:sc= -0.0813 F(o=-1.8,f=-0.081) USER MOD Single : 2 33 ASN : amide:sc= -0.31 K(o=-0.31,f=-2.6!) USER MOD Single : 2 37 CYS SG : rot 180:sc=-0.00831 USER MOD Single : 2 40 SER OG : rot 84:sc= 0.382 USER MOD Single : 2 50 LYS NZ :NH3+ -154:sc= -0.506 (180deg=-2.27!) USER MOD Single : 2 53 GLN : amide:sc= -13.6! C(o=-14!,f=-20!) USER MOD Single : 2 58 THR OG1 : rot 180:sc= -1.31 USER MOD ----------------------------------------------------------------- ATOM 228 N ASP 1 17 1.195 -16.209 -2.099 1.00 0.00 N ATOM 229 CA ASP 1 17 0.118 -15.435 -2.693 1.00 0.00 C ATOM 230 C ASP 1 17 0.409 -13.943 -2.518 1.00 0.00 C ATOM 231 O ASP 1 17 -0.457 -13.105 -2.760 1.00 0.00 O ATOM 232 CB ASP 1 17 -1.219 -15.738 -2.013 1.00 0.00 C ATOM 233 CG ASP 1 17 -2.458 -15.340 -2.815 1.00 0.00 C ATOM 234 OD1 ASP 1 17 -2.877 -16.164 -3.658 1.00 0.00 O ATOM 235 OD2 ASP 1 17 -2.960 -14.222 -2.567 1.00 0.00 O ATOM 0 HA ASP 1 17 0.055 -15.702 -3.748 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 -1.269 -16.806 -1.803 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 -1.246 -15.223 -1.053 1.00 0.00 H new ATOM 240 N ARG 1 18 1.633 -13.658 -2.098 1.00 0.00 N ATOM 241 CA ARG 1 18 2.050 -12.282 -1.888 1.00 0.00 C ATOM 242 C ARG 1 18 2.685 -11.720 -3.161 1.00 0.00 C ATOM 243 O ARG 1 18 2.846 -12.436 -4.148 1.00 0.00 O ATOM 244 CB ARG 1 18 3.053 -12.180 -0.738 1.00 0.00 C ATOM 245 CG ARG 1 18 2.582 -12.988 0.473 1.00 0.00 C ATOM 246 CD ARG 1 18 3.754 -13.712 1.139 1.00 0.00 C ATOM 247 NE ARG 1 18 3.335 -14.254 2.452 1.00 0.00 N ATOM 248 CZ ARG 1 18 4.175 -14.504 3.464 1.00 0.00 C ATOM 249 NH1 ARG 1 18 5.485 -14.262 3.322 1.00 0.00 N ATOM 250 NH2 ARG 1 18 3.706 -14.996 4.619 1.00 0.00 N ATOM 0 H ARG 1 18 2.349 -14.356 -1.898 1.00 0.00 H new ATOM 0 HA ARG 1 18 1.163 -11.702 -1.634 1.00 0.00 H new ATOM 0 HB2 ARG 1 18 4.027 -12.544 -1.066 1.00 0.00 H new ATOM 0 HB3 ARG 1 18 3.182 -11.135 -0.455 1.00 0.00 H new ATOM 0 HG2 ARG 1 18 2.103 -12.325 1.193 1.00 0.00 H new ATOM 0 HG3 ARG 1 18 1.832 -13.714 0.161 1.00 0.00 H new ATOM 0 HD2 ARG 1 18 4.104 -14.521 0.498 1.00 0.00 H new ATOM 0 HD3 ARG 1 18 4.590 -13.024 1.270 1.00 0.00 H new ATOM 0 HE ARG 1 18 2.344 -14.449 2.594 1.00 0.00 H new ATOM 0 HH11 ARG 1 18 5.842 -13.887 2.443 1.00 0.00 H new ATOM 0 HH12 ARG 1 18 6.125 -14.452 4.093 1.00 0.00 H new ATOM 0 HH21 ARG 1 18 2.709 -15.180 4.727 1.00 0.00 H new ATOM 0 HH22 ARG 1 18 4.346 -15.186 5.390 1.00 0.00 H new ATOM 264 N VAL 1 19 3.030 -10.442 -3.098 1.00 0.00 N ATOM 265 CA VAL 1 19 3.645 -9.775 -4.232 1.00 0.00 C ATOM 266 C VAL 1 19 5.136 -9.573 -3.953 1.00 0.00 C ATOM 267 O VAL 1 19 5.776 -8.721 -4.568 1.00 0.00 O ATOM 268 CB VAL 1 19 2.911 -8.467 -4.532 1.00 0.00 C ATOM 269 CG1 VAL 1 19 3.252 -7.955 -5.933 1.00 0.00 C ATOM 270 CG2 VAL 1 19 1.399 -8.637 -4.363 1.00 0.00 C ATOM 0 H VAL 1 19 2.895 -9.851 -2.278 1.00 0.00 H new ATOM 0 HA VAL 1 19 3.562 -10.391 -5.127 1.00 0.00 H new ATOM 0 HB VAL 1 19 3.248 -7.721 -3.812 1.00 0.00 H new ATOM 0 HG11 VAL 1 19 2.717 -7.024 -6.120 1.00 0.00 H new ATOM 0 HG12 VAL 1 19 4.325 -7.777 -6.004 1.00 0.00 H new ATOM 0 HG13 VAL 1 19 2.957 -8.698 -6.674 1.00 0.00 H new ATOM 0 HG21 VAL 1 19 0.900 -7.693 -4.582 1.00 0.00 H new ATOM 0 HG22 VAL 1 19 1.040 -9.405 -5.049 1.00 0.00 H new ATOM 0 HG23 VAL 1 19 1.179 -8.935 -3.338 1.00 0.00 H new ATOM 280 N ASP 1 20 5.646 -10.370 -3.027 1.00 0.00 N ATOM 281 CA ASP 1 20 7.049 -10.290 -2.659 1.00 0.00 C ATOM 282 C ASP 1 20 7.529 -8.845 -2.812 1.00 0.00 C ATOM 283 O ASP 1 20 8.059 -8.470 -3.857 1.00 0.00 O ATOM 284 CB ASP 1 20 7.907 -11.172 -3.566 1.00 0.00 C ATOM 285 CG ASP 1 20 9.348 -10.692 -3.760 1.00 0.00 C ATOM 286 OD1 ASP 1 20 10.140 -10.878 -2.810 1.00 0.00 O ATOM 287 OD2 ASP 1 20 9.624 -10.152 -4.853 1.00 0.00 O ATOM 0 H ASP 1 20 5.112 -11.076 -2.520 1.00 0.00 H new ATOM 0 HA ASP 1 20 7.148 -10.630 -1.628 1.00 0.00 H new ATOM 0 HB2 ASP 1 20 7.928 -12.180 -3.152 1.00 0.00 H new ATOM 0 HB3 ASP 1 20 7.427 -11.238 -4.543 1.00 0.00 H new ATOM 292 N CYS 1 21 7.328 -8.073 -1.755 1.00 0.00 N ATOM 293 CA CYS 1 21 7.734 -6.678 -1.759 1.00 0.00 C ATOM 294 C CYS 1 21 9.187 -6.602 -2.230 1.00 0.00 C ATOM 295 O CYS 1 21 9.571 -5.659 -2.922 1.00 0.00 O ATOM 296 CB CYS 1 21 7.545 -6.029 -0.385 1.00 0.00 C ATOM 297 SG CYS 1 21 6.937 -4.304 -0.427 1.00 0.00 S ATOM 0 H CYS 1 21 6.889 -8.387 -0.889 1.00 0.00 H new ATOM 0 HA CYS 1 21 7.101 -6.115 -2.444 1.00 0.00 H new ATOM 0 HB2 CYS 1 21 6.844 -6.632 0.193 1.00 0.00 H new ATOM 0 HB3 CYS 1 21 8.497 -6.051 0.145 1.00 0.00 H new ATOM 302 N GLY 1 22 9.957 -7.606 -1.837 1.00 0.00 N ATOM 303 CA GLY 1 22 11.360 -7.665 -2.212 1.00 0.00 C ATOM 304 C GLY 1 22 12.022 -6.292 -2.074 1.00 0.00 C ATOM 305 O GLY 1 22 12.480 -5.719 -3.061 1.00 0.00 O ATOM 0 H GLY 1 22 9.636 -8.385 -1.263 1.00 0.00 H new ATOM 0 HA2 GLY 1 22 11.879 -8.388 -1.582 1.00 0.00 H new ATOM 0 HA3 GLY 1 22 11.451 -8.015 -3.240 1.00 0.00 H new ATOM 309 N TYR 1 23 12.051 -5.805 -0.842 1.00 0.00 N ATOM 310 CA TYR 1 23 12.649 -4.510 -0.564 1.00 0.00 C ATOM 311 C TYR 1 23 14.128 -4.657 -0.199 1.00 0.00 C ATOM 312 O TYR 1 23 14.536 -5.675 0.358 1.00 0.00 O ATOM 313 CB TYR 1 23 11.893 -3.947 0.640 1.00 0.00 C ATOM 314 CG TYR 1 23 10.995 -2.753 0.309 1.00 0.00 C ATOM 315 CD1 TYR 1 23 9.765 -2.957 -0.280 1.00 0.00 C ATOM 316 CD2 TYR 1 23 11.417 -1.471 0.599 1.00 0.00 C ATOM 317 CE1 TYR 1 23 8.921 -1.834 -0.593 1.00 0.00 C ATOM 318 CE2 TYR 1 23 10.573 -0.347 0.286 1.00 0.00 C ATOM 319 CZ TYR 1 23 9.366 -0.584 -0.294 1.00 0.00 C ATOM 320 OH TYR 1 23 8.569 0.477 -0.588 1.00 0.00 O ATOM 0 H TYR 1 23 11.670 -6.284 -0.026 1.00 0.00 H new ATOM 0 HA TYR 1 23 12.586 -3.862 -1.438 1.00 0.00 H new ATOM 0 HB2 TYR 1 23 11.282 -4.738 1.075 1.00 0.00 H new ATOM 0 HB3 TYR 1 23 12.614 -3.646 1.400 1.00 0.00 H new ATOM 0 HD1 TYR 1 23 9.435 -3.960 -0.507 1.00 0.00 H new ATOM 0 HD2 TYR 1 23 12.380 -1.311 1.061 1.00 0.00 H new ATOM 0 HE1 TYR 1 23 7.956 -1.981 -1.055 1.00 0.00 H new ATOM 0 HE2 TYR 1 23 10.891 0.661 0.507 1.00 0.00 H new ATOM 0 HH TYR 1 23 7.861 0.194 -1.204 1.00 0.00 H new ATOM 330 N PRO 1 24 14.911 -3.598 -0.538 1.00 0.00 N ATOM 331 CA PRO 1 24 16.336 -3.599 -0.251 1.00 0.00 C ATOM 332 C PRO 1 24 16.597 -3.360 1.237 1.00 0.00 C ATOM 333 O PRO 1 24 17.724 -3.507 1.705 1.00 0.00 O ATOM 334 CB PRO 1 24 16.915 -2.509 -1.138 1.00 0.00 C ATOM 335 CG PRO 1 24 15.742 -1.629 -1.539 1.00 0.00 C ATOM 336 CD PRO 1 24 14.463 -2.377 -1.199 1.00 0.00 C ATOM 0 HA PRO 1 24 16.807 -4.559 -0.462 1.00 0.00 H new ATOM 0 HB2 PRO 1 24 17.671 -1.933 -0.605 1.00 0.00 H new ATOM 0 HB3 PRO 1 24 17.400 -2.936 -2.015 1.00 0.00 H new ATOM 0 HG2 PRO 1 24 15.780 -0.677 -1.010 1.00 0.00 H new ATOM 0 HG3 PRO 1 24 15.781 -1.403 -2.605 1.00 0.00 H new ATOM 0 HD2 PRO 1 24 13.821 -1.786 -0.546 1.00 0.00 H new ATOM 0 HD3 PRO 1 24 13.886 -2.601 -2.096 1.00 0.00 H new ATOM 344 N HIS 1 25 15.535 -2.996 1.940 1.00 0.00 N ATOM 345 CA HIS 1 25 15.634 -2.735 3.366 1.00 0.00 C ATOM 346 C HIS 1 25 14.655 -3.636 4.122 1.00 0.00 C ATOM 347 O HIS 1 25 14.316 -3.363 5.272 1.00 0.00 O ATOM 348 CB HIS 1 25 15.423 -1.249 3.663 1.00 0.00 C ATOM 349 CG HIS 1 25 16.597 -0.585 4.342 1.00 0.00 C ATOM 350 ND1 HIS 1 25 16.896 0.756 4.179 1.00 0.00 N ATOM 351 CD2 HIS 1 25 17.542 -1.091 5.185 1.00 0.00 C ATOM 352 CE1 HIS 1 25 17.975 1.034 4.897 1.00 0.00 C ATOM 353 NE2 HIS 1 25 18.374 -0.112 5.518 1.00 0.00 N ATOM 0 H HIS 1 25 14.601 -2.876 1.548 1.00 0.00 H new ATOM 0 HA HIS 1 25 16.638 -2.976 3.714 1.00 0.00 H new ATOM 0 HB2 HIS 1 25 15.215 -0.728 2.728 1.00 0.00 H new ATOM 0 HB3 HIS 1 25 14.541 -1.137 4.293 1.00 0.00 H new ATOM 0 HD2 HIS 1 25 17.603 -2.115 5.524 1.00 0.00 H new ATOM 0 HE1 HIS 1 25 18.454 1.999 4.976 1.00 0.00 H new ATOM 0 HE2 HIS 1 25 19.180 -0.202 6.137 1.00 0.00 H new ATOM 362 N VAL 1 26 14.229 -4.692 3.445 1.00 0.00 N ATOM 363 CA VAL 1 26 13.295 -5.634 4.038 1.00 0.00 C ATOM 364 C VAL 1 26 13.741 -5.957 5.465 1.00 0.00 C ATOM 365 O VAL 1 26 14.851 -6.445 5.678 1.00 0.00 O ATOM 366 CB VAL 1 26 13.175 -6.878 3.154 1.00 0.00 C ATOM 367 CG1 VAL 1 26 14.551 -7.349 2.680 1.00 0.00 C ATOM 368 CG2 VAL 1 26 12.432 -7.998 3.883 1.00 0.00 C ATOM 0 H VAL 1 26 14.513 -4.916 2.491 1.00 0.00 H new ATOM 0 HA VAL 1 26 12.298 -5.197 4.099 1.00 0.00 H new ATOM 0 HB VAL 1 26 12.593 -6.608 2.273 1.00 0.00 H new ATOM 0 HG11 VAL 1 26 14.437 -8.234 2.054 1.00 0.00 H new ATOM 0 HG12 VAL 1 26 15.028 -6.556 2.104 1.00 0.00 H new ATOM 0 HG13 VAL 1 26 15.170 -7.593 3.544 1.00 0.00 H new ATOM 0 HG21 VAL 1 26 12.360 -8.870 3.233 1.00 0.00 H new ATOM 0 HG22 VAL 1 26 12.975 -8.265 4.790 1.00 0.00 H new ATOM 0 HG23 VAL 1 26 11.430 -7.659 4.147 1.00 0.00 H new ATOM 378 N THR 1 27 12.855 -5.672 6.407 1.00 0.00 N ATOM 379 CA THR 1 27 13.143 -5.926 7.808 1.00 0.00 C ATOM 380 C THR 1 27 11.852 -5.913 8.630 1.00 0.00 C ATOM 381 O THR 1 27 10.870 -5.285 8.239 1.00 0.00 O ATOM 382 CB THR 1 27 14.170 -4.892 8.275 1.00 0.00 C ATOM 383 OG1 THR 1 27 15.286 -5.675 8.692 1.00 0.00 O ATOM 384 CG2 THR 1 27 13.731 -4.162 9.546 1.00 0.00 C ATOM 0 H THR 1 27 11.936 -5.267 6.227 1.00 0.00 H new ATOM 0 HA THR 1 27 13.571 -6.918 7.949 1.00 0.00 H new ATOM 0 HB THR 1 27 14.340 -4.166 7.480 1.00 0.00 H new ATOM 0 HG1 THR 1 27 16.000 -5.084 9.009 1.00 0.00 H new ATOM 0 HG21 THR 1 27 14.496 -3.440 9.834 1.00 0.00 H new ATOM 0 HG22 THR 1 27 12.792 -3.641 9.360 1.00 0.00 H new ATOM 0 HG23 THR 1 27 13.593 -4.884 10.351 1.00 0.00 H new ATOM 392 N PRO 1 28 11.897 -6.633 9.782 1.00 0.00 N ATOM 393 CA PRO 1 28 10.744 -6.710 10.663 1.00 0.00 C ATOM 394 C PRO 1 28 10.560 -5.406 11.442 1.00 0.00 C ATOM 395 O PRO 1 28 10.515 -5.416 12.672 1.00 0.00 O ATOM 396 CB PRO 1 28 11.011 -7.906 11.560 1.00 0.00 C ATOM 397 CG PRO 1 28 12.506 -8.172 11.465 1.00 0.00 C ATOM 398 CD PRO 1 28 13.043 -7.390 10.278 1.00 0.00 C ATOM 0 HA PRO 1 28 9.808 -6.840 10.119 1.00 0.00 H new ATOM 0 HB2 PRO 1 28 10.716 -7.697 12.588 1.00 0.00 H new ATOM 0 HB3 PRO 1 28 10.438 -8.774 11.234 1.00 0.00 H new ATOM 0 HG2 PRO 1 28 13.008 -7.865 12.383 1.00 0.00 H new ATOM 0 HG3 PRO 1 28 12.697 -9.238 11.338 1.00 0.00 H new ATOM 0 HD2 PRO 1 28 13.856 -6.728 10.576 1.00 0.00 H new ATOM 0 HD3 PRO 1 28 13.439 -8.056 9.512 1.00 0.00 H new ATOM 406 N LYS 1 29 10.461 -4.316 10.696 1.00 0.00 N ATOM 407 CA LYS 1 29 10.285 -3.007 11.302 1.00 0.00 C ATOM 408 C LYS 1 29 10.289 -1.938 10.208 1.00 0.00 C ATOM 409 O LYS 1 29 9.782 -0.836 10.411 1.00 0.00 O ATOM 410 CB LYS 1 29 11.334 -2.776 12.392 1.00 0.00 C ATOM 411 CG LYS 1 29 10.726 -2.044 13.591 1.00 0.00 C ATOM 412 CD LYS 1 29 10.760 -2.922 14.844 1.00 0.00 C ATOM 413 CE LYS 1 29 9.805 -2.389 15.913 1.00 0.00 C ATOM 414 NZ LYS 1 29 10.367 -1.178 16.553 1.00 0.00 N ATOM 0 H LYS 1 29 10.499 -4.312 9.677 1.00 0.00 H new ATOM 0 HA LYS 1 29 9.319 -2.946 11.803 1.00 0.00 H new ATOM 0 HB2 LYS 1 29 11.745 -3.733 12.715 1.00 0.00 H new ATOM 0 HB3 LYS 1 29 12.162 -2.194 11.988 1.00 0.00 H new ATOM 0 HG2 LYS 1 29 11.275 -1.121 13.775 1.00 0.00 H new ATOM 0 HG3 LYS 1 29 9.697 -1.764 13.367 1.00 0.00 H new ATOM 0 HD2 LYS 1 29 10.486 -3.944 14.584 1.00 0.00 H new ATOM 0 HD3 LYS 1 29 11.774 -2.955 15.242 1.00 0.00 H new ATOM 0 HE2 LYS 1 29 8.840 -2.155 15.463 1.00 0.00 H new ATOM 0 HE3 LYS 1 29 9.628 -3.157 16.666 1.00 0.00 H new ATOM 0 HZ1 LYS 1 29 9.706 -0.829 17.276 1.00 0.00 H new ATOM 0 HZ2 LYS 1 29 11.277 -1.412 16.999 1.00 0.00 H new ATOM 0 HZ3 LYS 1 29 10.513 -0.441 15.834 1.00 0.00 H new ATOM 428 N GLU 1 30 10.867 -2.301 9.073 1.00 0.00 N ATOM 429 CA GLU 1 30 10.944 -1.387 7.946 1.00 0.00 C ATOM 430 C GLU 1 30 9.846 -1.705 6.929 1.00 0.00 C ATOM 431 O GLU 1 30 9.193 -0.800 6.410 1.00 0.00 O ATOM 432 CB GLU 1 30 12.326 -1.436 7.294 1.00 0.00 C ATOM 433 CG GLU 1 30 13.136 -0.181 7.627 1.00 0.00 C ATOM 434 CD GLU 1 30 13.789 -0.300 9.006 1.00 0.00 C ATOM 435 OE1 GLU 1 30 13.133 -0.882 9.896 1.00 0.00 O ATOM 436 OE2 GLU 1 30 14.929 0.194 9.137 1.00 0.00 O ATOM 0 H GLU 1 30 11.287 -3.216 8.909 1.00 0.00 H new ATOM 0 HA GLU 1 30 10.788 -0.373 8.314 1.00 0.00 H new ATOM 0 HB2 GLU 1 30 12.862 -2.321 7.637 1.00 0.00 H new ATOM 0 HB3 GLU 1 30 12.219 -1.527 6.213 1.00 0.00 H new ATOM 0 HG2 GLU 1 30 13.904 -0.028 6.869 1.00 0.00 H new ATOM 0 HG3 GLU 1 30 12.485 0.693 7.603 1.00 0.00 H new ATOM 443 N CYS 1 31 9.675 -2.993 6.673 1.00 0.00 N ATOM 444 CA CYS 1 31 8.668 -3.442 5.727 1.00 0.00 C ATOM 445 C CYS 1 31 7.310 -2.898 6.177 1.00 0.00 C ATOM 446 O CYS 1 31 6.598 -2.271 5.394 1.00 0.00 O ATOM 447 CB CYS 1 31 8.655 -4.966 5.594 1.00 0.00 C ATOM 448 SG CYS 1 31 10.040 -5.663 4.622 1.00 0.00 S ATOM 0 H CYS 1 31 10.218 -3.741 7.105 1.00 0.00 H new ATOM 0 HA CYS 1 31 8.902 -3.058 4.734 1.00 0.00 H new ATOM 0 HB2 CYS 1 31 8.673 -5.404 6.592 1.00 0.00 H new ATOM 0 HB3 CYS 1 31 7.716 -5.268 5.130 1.00 0.00 H new ATOM 453 N ASN 1 32 6.993 -3.156 7.437 1.00 0.00 N ATOM 454 CA ASN 1 32 5.734 -2.699 8.001 1.00 0.00 C ATOM 455 C ASN 1 32 5.756 -1.174 8.117 1.00 0.00 C ATOM 456 O ASN 1 32 4.770 -0.565 8.532 1.00 0.00 O ATOM 457 CB ASN 1 32 5.516 -3.277 9.401 1.00 0.00 C ATOM 458 CG ASN 1 32 4.596 -4.498 9.352 1.00 0.00 C ATOM 459 OD1 ASN 1 32 5.042 -5.481 8.576 1.00 0.00 O flip ATOM 460 ND2 ASN 1 32 3.549 -4.544 9.978 1.00 0.00 N flip ATOM 0 H ASN 1 32 7.586 -3.676 8.084 1.00 0.00 H new ATOM 0 HA ASN 1 32 4.930 -3.031 7.344 1.00 0.00 H new ATOM 0 HB2 ASN 1 32 6.475 -3.557 9.836 1.00 0.00 H new ATOM 0 HB3 ASN 1 32 5.082 -2.516 10.049 1.00 0.00 H new ATOM 0 HD21 ASN 1 32 3.265 -3.753 10.556 1.00 0.00 H new ATOM 0 HD22 ASN 1 32 2.958 -5.374 9.923 1.00 0.00 H new ATOM 467 N ASN 1 33 6.889 -0.600 7.742 1.00 0.00 N ATOM 468 CA ASN 1 33 7.052 0.844 7.798 1.00 0.00 C ATOM 469 C ASN 1 33 6.970 1.418 6.383 1.00 0.00 C ATOM 470 O ASN 1 33 6.553 2.560 6.196 1.00 0.00 O ATOM 471 CB ASN 1 33 8.414 1.222 8.384 1.00 0.00 C ATOM 472 CG ASN 1 33 8.357 2.591 9.065 1.00 0.00 C ATOM 473 OD1 ASN 1 33 7.300 3.157 9.292 1.00 0.00 O ATOM 474 ND2 ASN 1 33 9.550 3.089 9.377 1.00 0.00 N ATOM 0 H ASN 1 33 7.704 -1.108 7.398 1.00 0.00 H new ATOM 0 HA ASN 1 33 6.262 1.248 8.431 1.00 0.00 H new ATOM 0 HB2 ASN 1 33 8.726 0.466 9.105 1.00 0.00 H new ATOM 0 HB3 ASN 1 33 9.163 1.237 7.592 1.00 0.00 H new ATOM 0 HD21 ASN 1 33 9.619 3.998 9.835 1.00 0.00 H new ATOM 0 HD22 ASN 1 33 10.396 2.562 9.158 1.00 0.00 H new ATOM 481 N ARG 1 34 7.372 0.599 5.423 1.00 0.00 N ATOM 482 CA ARG 1 34 7.349 1.011 4.029 1.00 0.00 C ATOM 483 C ARG 1 34 5.959 0.783 3.432 1.00 0.00 C ATOM 484 O ARG 1 34 5.580 1.442 2.464 1.00 0.00 O ATOM 485 CB ARG 1 34 8.383 0.238 3.209 1.00 0.00 C ATOM 486 CG ARG 1 34 9.673 0.033 4.006 1.00 0.00 C ATOM 487 CD ARG 1 34 10.898 0.416 3.174 1.00 0.00 C ATOM 488 NE ARG 1 34 11.955 0.965 4.053 1.00 0.00 N ATOM 489 CZ ARG 1 34 12.981 1.710 3.619 1.00 0.00 C ATOM 490 NH1 ARG 1 34 13.095 2.001 2.316 1.00 0.00 N ATOM 491 NH2 ARG 1 34 13.893 2.166 4.489 1.00 0.00 N ATOM 0 H ARG 1 34 7.716 -0.348 5.582 1.00 0.00 H new ATOM 0 HA ARG 1 34 7.594 2.072 3.992 1.00 0.00 H new ATOM 0 HB2 ARG 1 34 7.973 -0.729 2.919 1.00 0.00 H new ATOM 0 HB3 ARG 1 34 8.602 0.780 2.289 1.00 0.00 H new ATOM 0 HG2 ARG 1 34 9.643 0.635 4.914 1.00 0.00 H new ATOM 0 HG3 ARG 1 34 9.751 -1.009 4.317 1.00 0.00 H new ATOM 0 HD2 ARG 1 34 11.274 -0.458 2.641 1.00 0.00 H new ATOM 0 HD3 ARG 1 34 10.620 1.153 2.421 1.00 0.00 H new ATOM 0 HE ARG 1 34 11.899 0.764 5.051 1.00 0.00 H new ATOM 0 HH11 ARG 1 34 12.401 1.655 1.654 1.00 0.00 H new ATOM 0 HH12 ARG 1 34 13.876 2.568 1.987 1.00 0.00 H new ATOM 0 HH21 ARG 1 34 13.806 1.946 5.481 1.00 0.00 H new ATOM 0 HH22 ARG 1 34 14.674 2.733 4.159 1.00 0.00 H new ATOM 505 N GLY 1 35 5.237 -0.152 4.031 1.00 0.00 N ATOM 506 CA GLY 1 35 3.898 -0.475 3.570 1.00 0.00 C ATOM 507 C GLY 1 35 3.800 -1.946 3.160 1.00 0.00 C ATOM 508 O GLY 1 35 2.945 -2.314 2.357 1.00 0.00 O ATOM 0 H GLY 1 35 5.555 -0.697 4.833 1.00 0.00 H new ATOM 0 HA2 GLY 1 35 3.177 -0.265 4.360 1.00 0.00 H new ATOM 0 HA3 GLY 1 35 3.638 0.160 2.724 1.00 0.00 H new ATOM 512 N CYS 1 36 4.687 -2.747 3.732 1.00 0.00 N ATOM 513 CA CYS 1 36 4.710 -4.170 3.436 1.00 0.00 C ATOM 514 C CYS 1 36 4.423 -4.934 4.730 1.00 0.00 C ATOM 515 O CYS 1 36 4.229 -4.328 5.783 1.00 0.00 O ATOM 516 CB CYS 1 36 6.038 -4.595 2.805 1.00 0.00 C ATOM 517 SG CYS 1 36 6.526 -3.636 1.325 1.00 0.00 S ATOM 0 H CYS 1 36 5.395 -2.438 4.398 1.00 0.00 H new ATOM 0 HA CYS 1 36 3.942 -4.403 2.699 1.00 0.00 H new ATOM 0 HB2 CYS 1 36 6.825 -4.506 3.554 1.00 0.00 H new ATOM 0 HB3 CYS 1 36 5.974 -5.649 2.533 1.00 0.00 H new ATOM 522 N CYS 1 37 4.405 -6.253 4.608 1.00 0.00 N ATOM 523 CA CYS 1 37 4.144 -7.107 5.755 1.00 0.00 C ATOM 524 C CYS 1 37 5.298 -8.105 5.884 1.00 0.00 C ATOM 525 O CYS 1 37 5.623 -8.808 4.930 1.00 0.00 O ATOM 526 CB CYS 1 37 2.791 -7.812 5.641 1.00 0.00 C ATOM 527 SG CYS 1 37 2.084 -8.378 7.230 1.00 0.00 S ATOM 0 H CYS 1 37 4.567 -6.751 3.733 1.00 0.00 H new ATOM 0 HA CYS 1 37 4.087 -6.499 6.658 1.00 0.00 H new ATOM 0 HB2 CYS 1 37 2.083 -7.134 5.166 1.00 0.00 H new ATOM 0 HB3 CYS 1 37 2.900 -8.673 4.981 1.00 0.00 H new ATOM 0 HG CYS 1 37 0.940 -8.957 7.014 1.00 0.00 H new ATOM 532 N PHE 1 38 5.884 -8.132 7.072 1.00 0.00 N ATOM 533 CA PHE 1 38 6.994 -9.032 7.337 1.00 0.00 C ATOM 534 C PHE 1 38 6.493 -10.386 7.842 1.00 0.00 C ATOM 535 O PHE 1 38 5.811 -10.459 8.863 1.00 0.00 O ATOM 536 CB PHE 1 38 7.847 -8.379 8.426 1.00 0.00 C ATOM 537 CG PHE 1 38 9.210 -9.046 8.633 1.00 0.00 C ATOM 538 CD1 PHE 1 38 10.268 -8.681 7.861 1.00 0.00 C ATOM 539 CD2 PHE 1 38 9.360 -10.001 9.588 1.00 0.00 C ATOM 540 CE1 PHE 1 38 11.532 -9.300 8.053 1.00 0.00 C ATOM 541 CE2 PHE 1 38 10.625 -10.621 9.779 1.00 0.00 C ATOM 542 CZ PHE 1 38 11.684 -10.257 9.008 1.00 0.00 C ATOM 0 H PHE 1 38 5.612 -7.546 7.861 1.00 0.00 H new ATOM 0 HA PHE 1 38 7.562 -9.203 6.422 1.00 0.00 H new ATOM 0 HB2 PHE 1 38 8.002 -7.330 8.172 1.00 0.00 H new ATOM 0 HB3 PHE 1 38 7.297 -8.401 9.367 1.00 0.00 H new ATOM 0 HD1 PHE 1 38 10.148 -7.921 7.103 1.00 0.00 H new ATOM 0 HD2 PHE 1 38 8.519 -10.289 10.201 1.00 0.00 H new ATOM 0 HE1 PHE 1 38 12.373 -9.011 7.440 1.00 0.00 H new ATOM 0 HE2 PHE 1 38 10.745 -11.381 10.537 1.00 0.00 H new ATOM 0 HZ PHE 1 38 12.645 -10.727 9.154 1.00 0.00 H new ATOM 552 N ASP 1 39 6.852 -11.426 7.103 1.00 0.00 N ATOM 553 CA ASP 1 39 6.448 -12.774 7.463 1.00 0.00 C ATOM 554 C ASP 1 39 7.424 -13.335 8.499 1.00 0.00 C ATOM 555 O ASP 1 39 7.166 -13.269 9.700 1.00 0.00 O ATOM 556 CB ASP 1 39 6.469 -13.700 6.244 1.00 0.00 C ATOM 557 CG ASP 1 39 6.834 -15.155 6.543 1.00 0.00 C ATOM 558 OD1 ASP 1 39 6.010 -15.822 7.205 1.00 0.00 O ATOM 559 OD2 ASP 1 39 7.928 -15.567 6.102 1.00 0.00 O ATOM 0 H ASP 1 39 7.418 -11.362 6.257 1.00 0.00 H new ATOM 0 HA ASP 1 39 5.435 -12.727 7.863 1.00 0.00 H new ATOM 0 HB2 ASP 1 39 5.487 -13.677 5.772 1.00 0.00 H new ATOM 0 HB3 ASP 1 39 7.180 -13.305 5.519 1.00 0.00 H new ATOM 564 N SER 1 40 8.525 -13.875 7.996 1.00 0.00 N ATOM 565 CA SER 1 40 9.540 -14.448 8.863 1.00 0.00 C ATOM 566 C SER 1 40 9.192 -15.903 9.188 1.00 0.00 C ATOM 567 O SER 1 40 10.070 -16.693 9.531 1.00 0.00 O ATOM 568 CB SER 1 40 9.686 -13.636 10.152 1.00 0.00 C ATOM 569 OG SER 1 40 11.042 -13.558 10.583 1.00 0.00 O ATOM 0 H SER 1 40 8.736 -13.928 6.999 1.00 0.00 H new ATOM 0 HA SER 1 40 10.494 -14.419 8.337 1.00 0.00 H new ATOM 0 HB2 SER 1 40 9.298 -12.630 9.993 1.00 0.00 H new ATOM 0 HB3 SER 1 40 9.082 -14.090 10.937 1.00 0.00 H new ATOM 0 HG SER 1 40 11.083 -13.114 11.455 1.00 0.00 H new ATOM 575 N ARG 1 41 7.909 -16.211 9.070 1.00 0.00 N ATOM 576 CA ARG 1 41 7.433 -17.556 9.348 1.00 0.00 C ATOM 577 C ARG 1 41 8.020 -18.544 8.337 1.00 0.00 C ATOM 578 O ARG 1 41 8.458 -19.631 8.710 1.00 0.00 O ATOM 579 CB ARG 1 41 5.907 -17.623 9.290 1.00 0.00 C ATOM 580 CG ARG 1 41 5.278 -16.383 9.930 1.00 0.00 C ATOM 581 CD ARG 1 41 4.076 -16.762 10.796 1.00 0.00 C ATOM 582 NE ARG 1 41 4.537 -17.372 12.063 1.00 0.00 N ATOM 583 CZ ARG 1 41 4.583 -18.692 12.288 1.00 0.00 C ATOM 584 NH1 ARG 1 41 4.196 -19.549 11.334 1.00 0.00 N ATOM 585 NH2 ARG 1 41 5.016 -19.156 13.468 1.00 0.00 N ATOM 0 H ARG 1 41 7.184 -15.552 8.786 1.00 0.00 H new ATOM 0 HA ARG 1 41 7.758 -17.823 10.354 1.00 0.00 H new ATOM 0 HB2 ARG 1 41 5.582 -17.705 8.253 1.00 0.00 H new ATOM 0 HB3 ARG 1 41 5.559 -18.518 9.805 1.00 0.00 H new ATOM 0 HG2 ARG 1 41 6.021 -15.867 10.539 1.00 0.00 H new ATOM 0 HG3 ARG 1 41 4.965 -15.687 9.152 1.00 0.00 H new ATOM 0 HD2 ARG 1 41 3.475 -15.877 11.006 1.00 0.00 H new ATOM 0 HD3 ARG 1 41 3.436 -17.461 10.258 1.00 0.00 H new ATOM 0 HE ARG 1 41 4.839 -16.749 12.812 1.00 0.00 H new ATOM 0 HH11 ARG 1 41 3.866 -19.197 10.435 1.00 0.00 H new ATOM 0 HH12 ARG 1 41 4.231 -20.554 11.506 1.00 0.00 H new ATOM 0 HH21 ARG 1 41 5.311 -18.504 14.195 1.00 0.00 H new ATOM 0 HH22 ARG 1 41 5.051 -20.161 13.639 1.00 0.00 H new ATOM 599 N ILE 1 42 8.008 -18.131 7.078 1.00 0.00 N ATOM 600 CA ILE 1 42 8.532 -18.967 6.012 1.00 0.00 C ATOM 601 C ILE 1 42 9.671 -18.230 5.305 1.00 0.00 C ATOM 602 O ILE 1 42 9.433 -17.280 4.560 1.00 0.00 O ATOM 603 CB ILE 1 42 7.407 -19.405 5.072 1.00 0.00 C ATOM 604 CG1 ILE 1 42 6.083 -19.543 5.828 1.00 0.00 C ATOM 605 CG2 ILE 1 42 7.780 -20.689 4.330 1.00 0.00 C ATOM 606 CD1 ILE 1 42 5.111 -20.449 5.069 1.00 0.00 C ATOM 0 H ILE 1 42 7.644 -17.229 6.773 1.00 0.00 H new ATOM 0 HA ILE 1 42 8.951 -19.886 6.421 1.00 0.00 H new ATOM 0 HB ILE 1 42 7.269 -18.628 4.320 1.00 0.00 H new ATOM 0 HG12 ILE 1 42 6.268 -19.953 6.821 1.00 0.00 H new ATOM 0 HG13 ILE 1 42 5.635 -18.559 5.968 1.00 0.00 H new ATOM 0 HG21 ILE 1 42 6.963 -20.978 3.669 1.00 0.00 H new ATOM 0 HG22 ILE 1 42 8.681 -20.520 3.741 1.00 0.00 H new ATOM 0 HG23 ILE 1 42 7.962 -21.486 5.051 1.00 0.00 H new ATOM 0 HD11 ILE 1 42 4.178 -20.531 5.627 1.00 0.00 H new ATOM 0 HD12 ILE 1 42 4.909 -20.024 4.086 1.00 0.00 H new ATOM 0 HD13 ILE 1 42 5.552 -21.439 4.953 1.00 0.00 H new ATOM 618 N PRO 1 43 10.917 -18.707 5.570 1.00 0.00 N ATOM 619 CA PRO 1 43 12.094 -18.103 4.968 1.00 0.00 C ATOM 620 C PRO 1 43 12.218 -18.496 3.495 1.00 0.00 C ATOM 621 O PRO 1 43 13.123 -18.035 2.800 1.00 0.00 O ATOM 622 CB PRO 1 43 13.260 -18.587 5.814 1.00 0.00 C ATOM 623 CG PRO 1 43 12.751 -19.806 6.566 1.00 0.00 C ATOM 624 CD PRO 1 43 11.236 -19.830 6.447 1.00 0.00 C ATOM 0 HA PRO 1 43 12.052 -17.014 4.959 1.00 0.00 H new ATOM 0 HB2 PRO 1 43 14.116 -18.843 5.190 1.00 0.00 H new ATOM 0 HB3 PRO 1 43 13.590 -17.811 6.505 1.00 0.00 H new ATOM 0 HG2 PRO 1 43 13.181 -20.717 6.150 1.00 0.00 H new ATOM 0 HG3 PRO 1 43 13.051 -19.761 7.613 1.00 0.00 H new ATOM 0 HD2 PRO 1 43 10.886 -20.773 6.027 1.00 0.00 H new ATOM 0 HD3 PRO 1 43 10.760 -19.720 7.421 1.00 0.00 H new ATOM 632 N GLY 1 44 11.298 -19.346 3.062 1.00 0.00 N ATOM 633 CA GLY 1 44 11.294 -19.806 1.684 1.00 0.00 C ATOM 634 C GLY 1 44 10.423 -18.905 0.807 1.00 0.00 C ATOM 635 O GLY 1 44 10.389 -19.063 -0.412 1.00 0.00 O ATOM 0 H GLY 1 44 10.550 -19.728 3.641 1.00 0.00 H new ATOM 0 HA2 GLY 1 44 12.313 -19.819 1.298 1.00 0.00 H new ATOM 0 HA3 GLY 1 44 10.924 -20.830 1.640 1.00 0.00 H new ATOM 639 N VAL 1 45 9.740 -17.977 1.461 1.00 0.00 N ATOM 640 CA VAL 1 45 8.871 -17.049 0.757 1.00 0.00 C ATOM 641 C VAL 1 45 9.325 -15.616 1.041 1.00 0.00 C ATOM 642 O VAL 1 45 10.339 -15.401 1.703 1.00 0.00 O ATOM 643 CB VAL 1 45 7.412 -17.303 1.142 1.00 0.00 C ATOM 644 CG1 VAL 1 45 7.176 -18.783 1.446 1.00 0.00 C ATOM 645 CG2 VAL 1 45 6.998 -16.427 2.325 1.00 0.00 C ATOM 0 H VAL 1 45 9.771 -17.848 2.472 1.00 0.00 H new ATOM 0 HA VAL 1 45 8.940 -17.203 -0.320 1.00 0.00 H new ATOM 0 HB VAL 1 45 6.788 -17.033 0.290 1.00 0.00 H new ATOM 0 HG11 VAL 1 45 6.131 -18.937 1.717 1.00 0.00 H new ATOM 0 HG12 VAL 1 45 7.413 -19.378 0.564 1.00 0.00 H new ATOM 0 HG13 VAL 1 45 7.815 -19.091 2.274 1.00 0.00 H new ATOM 0 HG21 VAL 1 45 5.957 -16.627 2.579 1.00 0.00 H new ATOM 0 HG22 VAL 1 45 7.631 -16.652 3.184 1.00 0.00 H new ATOM 0 HG23 VAL 1 45 7.111 -15.377 2.057 1.00 0.00 H new ATOM 655 N PRO 1 46 8.529 -14.647 0.515 1.00 0.00 N ATOM 656 CA PRO 1 46 8.838 -13.240 0.706 1.00 0.00 C ATOM 657 C PRO 1 46 8.500 -12.793 2.130 1.00 0.00 C ATOM 658 O PRO 1 46 7.346 -12.859 2.548 1.00 0.00 O ATOM 659 CB PRO 1 46 8.028 -12.511 -0.354 1.00 0.00 C ATOM 660 CG PRO 1 46 6.945 -13.485 -0.792 1.00 0.00 C ATOM 661 CD PRO 1 46 7.320 -14.864 -0.273 1.00 0.00 C ATOM 0 HA PRO 1 46 9.900 -13.024 0.594 1.00 0.00 H new ATOM 0 HB2 PRO 1 46 7.592 -11.596 0.048 1.00 0.00 H new ATOM 0 HB3 PRO 1 46 8.657 -12.221 -1.196 1.00 0.00 H new ATOM 0 HG2 PRO 1 46 5.975 -13.180 -0.399 1.00 0.00 H new ATOM 0 HG3 PRO 1 46 6.859 -13.497 -1.879 1.00 0.00 H new ATOM 0 HD2 PRO 1 46 6.522 -15.289 0.336 1.00 0.00 H new ATOM 0 HD3 PRO 1 46 7.501 -15.560 -1.092 1.00 0.00 H new ATOM 669 N TRP 1 47 9.528 -12.347 2.836 1.00 0.00 N ATOM 670 CA TRP 1 47 9.355 -11.889 4.203 1.00 0.00 C ATOM 671 C TRP 1 47 9.029 -10.395 4.164 1.00 0.00 C ATOM 672 O TRP 1 47 9.336 -9.663 5.104 1.00 0.00 O ATOM 673 CB TRP 1 47 10.589 -12.208 5.050 1.00 0.00 C ATOM 674 CG TRP 1 47 11.537 -13.225 4.410 1.00 0.00 C ATOM 675 CD1 TRP 1 47 11.405 -14.557 4.358 1.00 0.00 C ATOM 676 CD2 TRP 1 47 12.775 -12.935 3.726 1.00 0.00 C ATOM 677 NE1 TRP 1 47 12.463 -15.146 3.695 1.00 0.00 N ATOM 678 CE2 TRP 1 47 13.323 -14.128 3.299 1.00 0.00 C ATOM 679 CE3 TRP 1 47 13.411 -11.706 3.478 1.00 0.00 C ATOM 680 CZ2 TRP 1 47 14.531 -14.208 2.597 1.00 0.00 C ATOM 681 CZ3 TRP 1 47 14.618 -11.804 2.776 1.00 0.00 C ATOM 682 CH2 TRP 1 47 15.183 -12.997 2.339 1.00 0.00 C ATOM 0 H TRP 1 47 10.485 -12.293 2.486 1.00 0.00 H new ATOM 0 HA TRP 1 47 8.529 -12.414 4.682 1.00 0.00 H new ATOM 0 HB2 TRP 1 47 11.137 -11.284 5.238 1.00 0.00 H new ATOM 0 HB3 TRP 1 47 10.264 -12.589 6.018 1.00 0.00 H new ATOM 0 HD1 TRP 1 47 10.575 -15.102 4.782 1.00 0.00 H new ATOM 0 HE1 TRP 1 47 12.590 -16.144 3.527 1.00 0.00 H new ATOM 0 HE3 TRP 1 47 13.001 -10.761 3.803 1.00 0.00 H new ATOM 0 HZ2 TRP 1 47 14.938 -15.154 2.272 1.00 0.00 H new ATOM 0 HZ3 TRP 1 47 15.148 -10.888 2.558 1.00 0.00 H new ATOM 0 HH2 TRP 1 47 16.121 -12.989 1.803 1.00 0.00 H new ATOM 693 N CYS 1 48 8.408 -9.986 3.067 1.00 0.00 N ATOM 694 CA CYS 1 48 8.036 -8.592 2.892 1.00 0.00 C ATOM 695 C CYS 1 48 7.118 -8.490 1.673 1.00 0.00 C ATOM 696 O CYS 1 48 7.569 -8.642 0.538 1.00 0.00 O ATOM 697 CB CYS 1 48 9.265 -7.691 2.760 1.00 0.00 C ATOM 698 SG CYS 1 48 8.917 -5.898 2.873 1.00 0.00 S ATOM 0 H CYS 1 48 8.153 -10.596 2.290 1.00 0.00 H new ATOM 0 HA CYS 1 48 7.504 -8.240 3.776 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 9.979 -7.958 3.539 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 9.746 -7.894 1.803 1.00 0.00 H new ATOM 703 N PHE 1 49 5.848 -8.231 1.948 1.00 0.00 N ATOM 704 CA PHE 1 49 4.863 -8.105 0.887 1.00 0.00 C ATOM 705 C PHE 1 49 3.806 -7.059 1.241 1.00 0.00 C ATOM 706 O PHE 1 49 3.953 -6.329 2.220 1.00 0.00 O ATOM 707 CB PHE 1 49 4.185 -9.470 0.743 1.00 0.00 C ATOM 708 CG PHE 1 49 4.158 -10.291 2.033 1.00 0.00 C ATOM 709 CD1 PHE 1 49 5.314 -10.792 2.545 1.00 0.00 C ATOM 710 CD2 PHE 1 49 2.977 -10.520 2.668 1.00 0.00 C ATOM 711 CE1 PHE 1 49 5.289 -11.553 3.743 1.00 0.00 C ATOM 712 CE2 PHE 1 49 2.952 -11.282 3.865 1.00 0.00 C ATOM 713 CZ PHE 1 49 4.108 -11.782 4.378 1.00 0.00 C ATOM 0 H PHE 1 49 5.478 -8.105 2.890 1.00 0.00 H new ATOM 0 HA PHE 1 49 5.349 -7.792 -0.037 1.00 0.00 H new ATOM 0 HB2 PHE 1 49 3.162 -9.321 0.398 1.00 0.00 H new ATOM 0 HB3 PHE 1 49 4.702 -10.041 -0.028 1.00 0.00 H new ATOM 0 HD1 PHE 1 49 6.251 -10.611 2.040 1.00 0.00 H new ATOM 0 HD2 PHE 1 49 2.059 -10.122 2.261 1.00 0.00 H new ATOM 0 HE1 PHE 1 49 6.207 -11.950 4.150 1.00 0.00 H new ATOM 0 HE2 PHE 1 49 2.014 -11.465 4.369 1.00 0.00 H new ATOM 0 HZ PHE 1 49 4.088 -12.361 5.290 1.00 0.00 H new ATOM 723 N LYS 1 50 2.761 -7.019 0.426 1.00 0.00 N ATOM 724 CA LYS 1 50 1.679 -6.073 0.642 1.00 0.00 C ATOM 725 C LYS 1 50 0.363 -6.838 0.799 1.00 0.00 C ATOM 726 O LYS 1 50 -0.500 -6.781 -0.074 1.00 0.00 O ATOM 727 CB LYS 1 50 1.652 -5.026 -0.473 1.00 0.00 C ATOM 728 CG LYS 1 50 2.545 -5.447 -1.642 1.00 0.00 C ATOM 729 CD LYS 1 50 3.982 -4.961 -1.437 1.00 0.00 C ATOM 730 CE LYS 1 50 4.013 -3.471 -1.092 1.00 0.00 C ATOM 731 NZ LYS 1 50 2.997 -2.736 -1.879 1.00 0.00 N ATOM 0 H LYS 1 50 2.641 -7.626 -0.385 1.00 0.00 H new ATOM 0 HA LYS 1 50 1.838 -5.517 1.566 1.00 0.00 H new ATOM 0 HB2 LYS 1 50 0.629 -4.889 -0.823 1.00 0.00 H new ATOM 0 HB3 LYS 1 50 1.987 -4.065 -0.083 1.00 0.00 H new ATOM 0 HG2 LYS 1 50 2.535 -6.533 -1.739 1.00 0.00 H new ATOM 0 HG3 LYS 1 50 2.149 -5.040 -2.572 1.00 0.00 H new ATOM 0 HD2 LYS 1 50 4.452 -5.533 -0.637 1.00 0.00 H new ATOM 0 HD3 LYS 1 50 4.563 -5.141 -2.342 1.00 0.00 H new ATOM 0 HE2 LYS 1 50 3.826 -3.334 -0.027 1.00 0.00 H new ATOM 0 HE3 LYS 1 50 5.004 -3.065 -1.296 1.00 0.00 H new ATOM 0 HZ1 LYS 1 50 3.324 -1.763 -2.046 1.00 0.00 H new ATOM 0 HZ2 LYS 1 50 2.852 -3.214 -2.791 1.00 0.00 H new ATOM 0 HZ3 LYS 1 50 2.100 -2.714 -1.353 1.00 0.00 H new ATOM 745 N PRO 1 51 0.249 -7.557 1.948 1.00 0.00 N ATOM 746 CA PRO 1 51 -0.947 -8.332 2.231 1.00 0.00 C ATOM 747 C PRO 1 51 -2.105 -7.423 2.644 1.00 0.00 C ATOM 748 O PRO 1 51 -2.770 -6.834 1.792 1.00 0.00 O ATOM 749 CB PRO 1 51 -0.535 -9.304 3.325 1.00 0.00 C ATOM 750 CG PRO 1 51 0.731 -8.731 3.938 1.00 0.00 C ATOM 751 CD PRO 1 51 1.252 -7.649 3.005 1.00 0.00 C ATOM 0 HA PRO 1 51 -1.317 -8.869 1.358 1.00 0.00 H new ATOM 0 HB2 PRO 1 51 -1.320 -9.404 4.074 1.00 0.00 H new ATOM 0 HB3 PRO 1 51 -0.355 -10.298 2.916 1.00 0.00 H new ATOM 0 HG2 PRO 1 51 0.524 -8.317 4.925 1.00 0.00 H new ATOM 0 HG3 PRO 1 51 1.479 -9.513 4.071 1.00 0.00 H new ATOM 0 HD2 PRO 1 51 1.367 -6.698 3.526 1.00 0.00 H new ATOM 0 HD3 PRO 1 51 2.230 -7.911 2.601 1.00 0.00 H new ATOM 759 N LEU 1 52 -2.311 -7.336 3.949 1.00 0.00 N ATOM 760 CA LEU 1 52 -3.378 -6.508 4.485 1.00 0.00 C ATOM 761 C LEU 1 52 -2.844 -5.096 4.737 1.00 0.00 C ATOM 762 O LEU 1 52 -3.282 -4.419 5.667 1.00 0.00 O ATOM 763 CB LEU 1 52 -3.994 -7.162 5.723 1.00 0.00 C ATOM 764 CG LEU 1 52 -3.330 -6.826 7.061 1.00 0.00 C ATOM 765 CD1 LEU 1 52 -4.353 -6.280 8.058 1.00 0.00 C ATOM 766 CD2 LEU 1 52 -2.576 -8.035 7.618 1.00 0.00 C ATOM 0 H LEU 1 52 -1.757 -7.825 4.652 1.00 0.00 H new ATOM 0 HA LEU 1 52 -4.190 -6.419 3.763 1.00 0.00 H new ATOM 0 HB2 LEU 1 52 -5.043 -6.872 5.778 1.00 0.00 H new ATOM 0 HB3 LEU 1 52 -3.968 -8.243 5.589 1.00 0.00 H new ATOM 0 HG LEU 1 52 -2.595 -6.039 6.890 1.00 0.00 H new ATOM 0 HD11 LEU 1 52 -3.856 -6.049 9.000 1.00 0.00 H new ATOM 0 HD12 LEU 1 52 -4.806 -5.374 7.655 1.00 0.00 H new ATOM 0 HD13 LEU 1 52 -5.128 -7.027 8.230 1.00 0.00 H new ATOM 0 HD21 LEU 1 52 -2.114 -7.769 8.569 1.00 0.00 H new ATOM 0 HD22 LEU 1 52 -3.273 -8.859 7.771 1.00 0.00 H new ATOM 0 HD23 LEU 1 52 -1.804 -8.339 6.912 1.00 0.00 H new ATOM 778 N GLN 1 53 -1.907 -4.693 3.893 1.00 0.00 N ATOM 779 CA GLN 1 53 -1.308 -3.375 4.012 1.00 0.00 C ATOM 780 C GLN 1 53 -2.395 -2.296 4.015 1.00 0.00 C ATOM 781 O GLN 1 53 -2.166 -1.180 4.478 1.00 0.00 O ATOM 782 CB GLN 1 53 -0.295 -3.128 2.893 1.00 0.00 C ATOM 783 CG GLN 1 53 0.867 -4.120 2.978 1.00 0.00 C ATOM 784 CD GLN 1 53 1.566 -4.030 4.336 1.00 0.00 C ATOM 785 OE1 GLN 1 53 1.858 -5.025 4.979 1.00 0.00 O ATOM 786 NE2 GLN 1 53 1.819 -2.786 4.733 1.00 0.00 N ATOM 0 H GLN 1 53 -1.547 -5.257 3.123 1.00 0.00 H new ATOM 0 HA GLN 1 53 -0.771 -3.327 4.959 1.00 0.00 H new ATOM 0 HB2 GLN 1 53 -0.787 -3.221 1.925 1.00 0.00 H new ATOM 0 HB3 GLN 1 53 0.086 -2.109 2.961 1.00 0.00 H new ATOM 0 HG2 GLN 1 53 0.497 -5.133 2.822 1.00 0.00 H new ATOM 0 HG3 GLN 1 53 1.583 -3.916 2.182 1.00 0.00 H new ATOM 0 HE21 GLN 1 53 1.547 -1.998 4.145 1.00 0.00 H new ATOM 0 HE22 GLN 1 53 2.285 -2.620 5.625 1.00 0.00 H new ATOM 795 N GLU 1 54 -3.554 -2.669 3.493 1.00 0.00 N ATOM 796 CA GLU 1 54 -4.677 -1.749 3.429 1.00 0.00 C ATOM 797 C GLU 1 54 -4.780 -0.947 4.727 1.00 0.00 C ATOM 798 O GLU 1 54 -5.292 0.172 4.731 1.00 0.00 O ATOM 799 CB GLU 1 54 -5.981 -2.494 3.140 1.00 0.00 C ATOM 800 CG GLU 1 54 -6.400 -3.351 4.336 1.00 0.00 C ATOM 801 CD GLU 1 54 -7.918 -3.540 4.371 1.00 0.00 C ATOM 802 OE1 GLU 1 54 -8.621 -2.541 4.101 1.00 0.00 O ATOM 803 OE2 GLU 1 54 -8.341 -4.678 4.666 1.00 0.00 O ATOM 0 H GLU 1 54 -3.740 -3.596 3.110 1.00 0.00 H new ATOM 0 HA GLU 1 54 -4.505 -1.054 2.607 1.00 0.00 H new ATOM 0 HB2 GLU 1 54 -6.769 -1.778 2.907 1.00 0.00 H new ATOM 0 HB3 GLU 1 54 -5.855 -3.126 2.261 1.00 0.00 H new ATOM 0 HG2 GLU 1 54 -5.910 -4.323 4.281 1.00 0.00 H new ATOM 0 HG3 GLU 1 54 -6.067 -2.879 5.260 1.00 0.00 H new ATOM 810 N ALA 1 55 -4.286 -1.550 5.799 1.00 0.00 N ATOM 811 CA ALA 1 55 -4.316 -0.905 7.101 1.00 0.00 C ATOM 812 C ALA 1 55 -4.011 0.584 6.935 1.00 0.00 C ATOM 813 O ALA 1 55 -4.903 1.422 7.060 1.00 0.00 O ATOM 814 CB ALA 1 55 -3.328 -1.602 8.039 1.00 0.00 C ATOM 0 H ALA 1 55 -3.863 -2.478 5.792 1.00 0.00 H new ATOM 0 HA ALA 1 55 -5.306 -0.990 7.549 1.00 0.00 H new ATOM 0 HB1 ALA 1 55 -3.350 -1.118 9.016 1.00 0.00 H new ATOM 0 HB2 ALA 1 55 -3.606 -2.650 8.147 1.00 0.00 H new ATOM 0 HB3 ALA 1 55 -2.322 -1.534 7.624 1.00 0.00 H new ATOM 820 N GLU 1 56 -2.747 0.870 6.655 1.00 0.00 N ATOM 821 CA GLU 1 56 -2.314 2.243 6.470 1.00 0.00 C ATOM 822 C GLU 1 56 -1.617 2.403 5.118 1.00 0.00 C ATOM 823 O GLU 1 56 -0.791 3.298 4.943 1.00 0.00 O ATOM 824 CB GLU 1 56 -1.400 2.688 7.614 1.00 0.00 C ATOM 825 CG GLU 1 56 -2.198 3.397 8.710 1.00 0.00 C ATOM 826 CD GLU 1 56 -2.087 2.648 10.039 1.00 0.00 C ATOM 827 OE1 GLU 1 56 -2.644 1.532 10.111 1.00 0.00 O ATOM 828 OE2 GLU 1 56 -1.449 3.210 10.956 1.00 0.00 O ATOM 0 H GLU 1 56 -2.010 0.173 6.552 1.00 0.00 H new ATOM 0 HA GLU 1 56 -3.195 2.885 6.480 1.00 0.00 H new ATOM 0 HB2 GLU 1 56 -0.889 1.822 8.034 1.00 0.00 H new ATOM 0 HB3 GLU 1 56 -0.630 3.357 7.230 1.00 0.00 H new ATOM 0 HG2 GLU 1 56 -1.831 4.416 8.831 1.00 0.00 H new ATOM 0 HG3 GLU 1 56 -3.245 3.468 8.415 1.00 0.00 H new ATOM 835 N CYS 1 57 -1.975 1.521 4.196 1.00 0.00 N ATOM 836 CA CYS 1 57 -1.394 1.553 2.864 1.00 0.00 C ATOM 837 C CYS 1 57 -2.443 2.104 1.896 1.00 0.00 C ATOM 838 O CYS 1 57 -2.194 3.086 1.199 1.00 0.00 O ATOM 839 CB CYS 1 57 -0.888 0.174 2.435 1.00 0.00 C ATOM 840 SG CYS 1 57 0.387 0.199 1.123 1.00 0.00 S ATOM 0 H CYS 1 57 -2.660 0.780 4.345 1.00 0.00 H new ATOM 0 HA CYS 1 57 -0.520 2.205 2.860 1.00 0.00 H new ATOM 0 HB2 CYS 1 57 -0.481 -0.336 3.308 1.00 0.00 H new ATOM 0 HB3 CYS 1 57 -1.736 -0.417 2.087 1.00 0.00 H new ATOM 845 N THR 1 58 -3.593 1.447 1.884 1.00 0.00 N ATOM 846 CA THR 1 58 -4.681 1.858 1.011 1.00 0.00 C ATOM 847 C THR 1 58 -5.585 2.864 1.726 1.00 0.00 C ATOM 848 O THR 1 58 -6.173 3.736 1.089 1.00 0.00 O ATOM 849 CB THR 1 58 -5.418 0.599 0.550 1.00 0.00 C ATOM 850 OG1 THR 1 58 -5.924 0.946 -0.737 1.00 0.00 O ATOM 851 CG2 THR 1 58 -6.672 0.318 1.379 1.00 0.00 C ATOM 0 H THR 1 58 -3.796 0.633 2.464 1.00 0.00 H new ATOM 0 HA THR 1 58 -4.307 2.375 0.127 1.00 0.00 H new ATOM 0 HB THR 1 58 -4.746 -0.257 0.607 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -6.415 0.185 -1.111 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -7.157 -0.586 1.010 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -6.394 0.180 2.424 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -7.360 1.159 1.295 1.00 0.00 H new ATOM 859 N PHE 1 59 -5.668 2.708 3.039 1.00 0.00 N ATOM 860 CA PHE 1 59 -6.491 3.593 3.847 1.00 0.00 C ATOM 861 C PHE 1 59 -6.474 5.018 3.289 1.00 0.00 C ATOM 862 O PHE 1 59 -6.573 5.985 4.045 1.00 0.00 O ATOM 863 CB PHE 1 59 -5.890 3.601 5.254 1.00 0.00 C ATOM 864 CG PHE 1 59 -6.928 3.509 6.374 1.00 0.00 C ATOM 865 CD1 PHE 1 59 -7.831 2.492 6.382 1.00 0.00 C ATOM 866 CD2 PHE 1 59 -6.947 4.443 7.362 1.00 0.00 C ATOM 867 CE1 PHE 1 59 -8.794 2.406 7.422 1.00 0.00 C ATOM 868 CE2 PHE 1 59 -7.911 4.358 8.402 1.00 0.00 C ATOM 869 CZ PHE 1 59 -8.814 3.341 8.410 1.00 0.00 C ATOM 0 H PHE 1 59 -5.179 1.982 3.564 1.00 0.00 H new ATOM 0 HA PHE 1 59 -7.524 3.244 3.848 1.00 0.00 H new ATOM 0 HB2 PHE 1 59 -5.196 2.766 5.346 1.00 0.00 H new ATOM 0 HB3 PHE 1 59 -5.309 4.514 5.385 1.00 0.00 H new ATOM 0 HD1 PHE 1 59 -7.816 1.750 5.597 1.00 0.00 H new ATOM 0 HD2 PHE 1 59 -6.229 5.250 7.356 1.00 0.00 H new ATOM 0 HE1 PHE 1 59 -9.511 1.598 7.429 1.00 0.00 H new ATOM 0 HE2 PHE 1 59 -7.927 5.101 9.186 1.00 0.00 H new ATOM 0 HZ PHE 1 59 -9.547 3.276 9.201 1.00 0.00 H new ATOM 1107 N ASP 2 17 -9.407 15.251 -1.096 1.00 0.00 N ATOM 1108 CA ASP 2 17 -10.110 14.180 -0.411 1.00 0.00 C ATOM 1109 C ASP 2 17 -9.125 13.058 -0.079 1.00 0.00 C ATOM 1110 O ASP 2 17 -9.533 11.953 0.274 1.00 0.00 O ATOM 1111 CB ASP 2 17 -11.215 13.595 -1.292 1.00 0.00 C ATOM 1112 CG ASP 2 17 -12.303 12.827 -0.541 1.00 0.00 C ATOM 1113 OD1 ASP 2 17 -12.019 11.672 -0.155 1.00 0.00 O ATOM 1114 OD2 ASP 2 17 -13.395 13.411 -0.367 1.00 0.00 O ATOM 0 HA ASP 2 17 -10.552 14.593 0.495 1.00 0.00 H new ATOM 0 HB2 ASP 2 17 -11.683 14.407 -1.848 1.00 0.00 H new ATOM 0 HB3 ASP 2 17 -10.760 12.928 -2.024 1.00 0.00 H new ATOM 1119 N ARG 2 18 -7.846 13.381 -0.207 1.00 0.00 N ATOM 1120 CA ARG 2 18 -6.799 12.413 0.073 1.00 0.00 C ATOM 1121 C ARG 2 18 -6.433 12.443 1.559 1.00 0.00 C ATOM 1122 O ARG 2 18 -6.921 13.290 2.305 1.00 0.00 O ATOM 1123 CB ARG 2 18 -5.547 12.699 -0.759 1.00 0.00 C ATOM 1124 CG ARG 2 18 -5.900 12.867 -2.238 1.00 0.00 C ATOM 1125 CD ARG 2 18 -5.065 13.979 -2.877 1.00 0.00 C ATOM 1126 NE ARG 2 18 -5.213 13.940 -4.349 1.00 0.00 N ATOM 1127 CZ ARG 2 18 -4.354 14.511 -5.205 1.00 0.00 C ATOM 1128 NH1 ARG 2 18 -3.283 15.168 -4.741 1.00 0.00 N ATOM 1129 NH2 ARG 2 18 -4.568 14.426 -6.525 1.00 0.00 N ATOM 0 H ARG 2 18 -7.511 14.299 -0.501 1.00 0.00 H new ATOM 0 HA ARG 2 18 -7.180 11.427 -0.192 1.00 0.00 H new ATOM 0 HB2 ARG 2 18 -5.061 13.603 -0.392 1.00 0.00 H new ATOM 0 HB3 ARG 2 18 -4.834 11.883 -0.642 1.00 0.00 H new ATOM 0 HG2 ARG 2 18 -5.728 11.929 -2.766 1.00 0.00 H new ATOM 0 HG3 ARG 2 18 -6.960 13.100 -2.339 1.00 0.00 H new ATOM 0 HD2 ARG 2 18 -5.384 14.949 -2.497 1.00 0.00 H new ATOM 0 HD3 ARG 2 18 -4.016 13.860 -2.605 1.00 0.00 H new ATOM 0 HE ARG 2 18 -6.018 13.448 -4.736 1.00 0.00 H new ATOM 0 HH11 ARG 2 18 -3.121 15.234 -3.736 1.00 0.00 H new ATOM 0 HH12 ARG 2 18 -2.629 15.602 -5.393 1.00 0.00 H new ATOM 0 HH21 ARG 2 18 -5.384 13.927 -6.878 1.00 0.00 H new ATOM 0 HH22 ARG 2 18 -3.915 14.860 -7.177 1.00 0.00 H new ATOM 1143 N VAL 2 19 -5.577 11.507 1.943 1.00 0.00 N ATOM 1144 CA VAL 2 19 -5.141 11.416 3.327 1.00 0.00 C ATOM 1145 C VAL 2 19 -3.726 11.986 3.449 1.00 0.00 C ATOM 1146 O VAL 2 19 -3.020 11.703 4.415 1.00 0.00 O ATOM 1147 CB VAL 2 19 -5.245 9.969 3.813 1.00 0.00 C ATOM 1148 CG1 VAL 2 19 -4.846 9.856 5.287 1.00 0.00 C ATOM 1149 CG2 VAL 2 19 -6.651 9.412 3.582 1.00 0.00 C ATOM 0 H VAL 2 19 -5.174 10.806 1.321 1.00 0.00 H new ATOM 0 HA VAL 2 19 -5.789 12.010 3.972 1.00 0.00 H new ATOM 0 HB VAL 2 19 -4.547 9.369 3.229 1.00 0.00 H new ATOM 0 HG11 VAL 2 19 -4.929 8.818 5.608 1.00 0.00 H new ATOM 0 HG12 VAL 2 19 -3.817 10.194 5.412 1.00 0.00 H new ATOM 0 HG13 VAL 2 19 -5.508 10.476 5.892 1.00 0.00 H new ATOM 0 HG21 VAL 2 19 -6.697 8.382 3.936 1.00 0.00 H new ATOM 0 HG22 VAL 2 19 -7.376 10.016 4.127 1.00 0.00 H new ATOM 0 HG23 VAL 2 19 -6.883 9.440 2.517 1.00 0.00 H new ATOM 1159 N ASP 2 20 -3.356 12.782 2.457 1.00 0.00 N ATOM 1160 CA ASP 2 20 -2.039 13.396 2.440 1.00 0.00 C ATOM 1161 C ASP 2 20 -1.043 12.474 3.147 1.00 0.00 C ATOM 1162 O ASP 2 20 -0.773 12.640 4.336 1.00 0.00 O ATOM 1163 CB ASP 2 20 -2.047 14.736 3.178 1.00 0.00 C ATOM 1164 CG ASP 2 20 -0.701 15.157 3.769 1.00 0.00 C ATOM 1165 OD1 ASP 2 20 0.260 15.259 2.977 1.00 0.00 O ATOM 1166 OD2 ASP 2 20 -0.662 15.369 5.001 1.00 0.00 O ATOM 0 H ASP 2 20 -3.946 13.016 1.658 1.00 0.00 H new ATOM 0 HA ASP 2 20 -1.755 13.558 1.400 1.00 0.00 H new ATOM 0 HB2 ASP 2 20 -2.382 15.511 2.489 1.00 0.00 H new ATOM 0 HB3 ASP 2 20 -2.780 14.686 3.983 1.00 0.00 H new ATOM 1171 N CYS 2 21 -0.524 11.522 2.386 1.00 0.00 N ATOM 1172 CA CYS 2 21 0.436 10.574 2.924 1.00 0.00 C ATOM 1173 C CYS 2 21 1.510 11.356 3.684 1.00 0.00 C ATOM 1174 O CYS 2 21 2.029 10.883 4.693 1.00 0.00 O ATOM 1175 CB CYS 2 21 1.040 9.695 1.826 1.00 0.00 C ATOM 1176 SG CYS 2 21 1.130 7.913 2.233 1.00 0.00 S ATOM 0 H CYS 2 21 -0.750 11.387 1.401 1.00 0.00 H new ATOM 0 HA CYS 2 21 -0.068 9.892 3.608 1.00 0.00 H new ATOM 0 HB2 CYS 2 21 0.450 9.817 0.917 1.00 0.00 H new ATOM 0 HB3 CYS 2 21 2.045 10.054 1.604 1.00 0.00 H new ATOM 1181 N GLY 2 22 1.811 12.539 3.168 1.00 0.00 N ATOM 1182 CA GLY 2 22 2.813 13.390 3.786 1.00 0.00 C ATOM 1183 C GLY 2 22 4.081 12.599 4.110 1.00 0.00 C ATOM 1184 O GLY 2 22 4.489 12.520 5.269 1.00 0.00 O ATOM 0 H GLY 2 22 1.379 12.928 2.330 1.00 0.00 H new ATOM 0 HA2 GLY 2 22 3.056 14.216 3.117 1.00 0.00 H new ATOM 0 HA3 GLY 2 22 2.410 13.828 4.699 1.00 0.00 H new ATOM 1188 N TYR 2 23 4.669 12.032 3.067 1.00 0.00 N ATOM 1189 CA TYR 2 23 5.883 11.250 3.226 1.00 0.00 C ATOM 1190 C TYR 2 23 7.126 12.124 3.059 1.00 0.00 C ATOM 1191 O TYR 2 23 7.136 13.047 2.245 1.00 0.00 O ATOM 1192 CB TYR 2 23 5.858 10.201 2.113 1.00 0.00 C ATOM 1193 CG TYR 2 23 5.608 8.774 2.607 1.00 0.00 C ATOM 1194 CD1 TYR 2 23 6.663 8.003 3.048 1.00 0.00 C ATOM 1195 CD2 TYR 2 23 4.328 8.260 2.611 1.00 0.00 C ATOM 1196 CE1 TYR 2 23 6.428 6.659 3.513 1.00 0.00 C ATOM 1197 CE2 TYR 2 23 4.092 6.918 3.075 1.00 0.00 C ATOM 1198 CZ TYR 2 23 5.154 6.183 3.503 1.00 0.00 C ATOM 1199 OH TYR 2 23 4.932 4.915 3.943 1.00 0.00 O ATOM 0 H TYR 2 23 4.327 12.099 2.108 1.00 0.00 H new ATOM 0 HA TYR 2 23 5.924 10.804 4.220 1.00 0.00 H new ATOM 0 HB2 TYR 2 23 5.082 10.467 1.395 1.00 0.00 H new ATOM 0 HB3 TYR 2 23 6.809 10.229 1.580 1.00 0.00 H new ATOM 0 HD1 TYR 2 23 7.665 8.406 3.045 1.00 0.00 H new ATOM 0 HD2 TYR 2 23 3.502 8.865 2.266 1.00 0.00 H new ATOM 0 HE1 TYR 2 23 7.245 6.044 3.861 1.00 0.00 H new ATOM 0 HE2 TYR 2 23 3.095 6.504 3.083 1.00 0.00 H new ATOM 0 HH TYR 2 23 3.976 4.710 3.880 1.00 0.00 H new ATOM 1209 N PRO 2 24 8.173 11.797 3.863 1.00 0.00 N ATOM 1210 CA PRO 2 24 9.420 12.542 3.810 1.00 0.00 C ATOM 1211 C PRO 2 24 10.222 12.182 2.559 1.00 0.00 C ATOM 1212 O PRO 2 24 11.275 12.765 2.303 1.00 0.00 O ATOM 1213 CB PRO 2 24 10.142 12.193 5.101 1.00 0.00 C ATOM 1214 CG PRO 2 24 9.494 10.913 5.607 1.00 0.00 C ATOM 1215 CD PRO 2 24 8.198 10.712 4.838 1.00 0.00 C ATOM 0 HA PRO 2 24 9.264 13.618 3.735 1.00 0.00 H new ATOM 0 HB2 PRO 2 24 11.208 12.048 4.926 1.00 0.00 H new ATOM 0 HB3 PRO 2 24 10.045 12.996 5.832 1.00 0.00 H new ATOM 0 HG2 PRO 2 24 10.161 10.063 5.460 1.00 0.00 H new ATOM 0 HG3 PRO 2 24 9.297 10.982 6.677 1.00 0.00 H new ATOM 0 HD2 PRO 2 24 8.175 9.739 4.348 1.00 0.00 H new ATOM 0 HD3 PRO 2 24 7.334 10.755 5.501 1.00 0.00 H new ATOM 1223 N HIS 2 25 9.694 11.224 1.811 1.00 0.00 N ATOM 1224 CA HIS 2 25 10.349 10.779 0.593 1.00 0.00 C ATOM 1225 C HIS 2 25 9.381 10.910 -0.586 1.00 0.00 C ATOM 1226 O HIS 2 25 9.649 10.400 -1.673 1.00 0.00 O ATOM 1227 CB HIS 2 25 10.895 9.359 0.757 1.00 0.00 C ATOM 1228 CG HIS 2 25 12.386 9.298 0.986 1.00 0.00 C ATOM 1229 ND1 HIS 2 25 13.208 8.394 0.337 1.00 0.00 N ATOM 1230 CD2 HIS 2 25 13.195 10.039 1.798 1.00 0.00 C ATOM 1231 CE1 HIS 2 25 14.453 8.589 0.748 1.00 0.00 C ATOM 1232 NE2 HIS 2 25 14.442 9.609 1.653 1.00 0.00 N ATOM 0 H HIS 2 25 8.820 10.744 2.025 1.00 0.00 H new ATOM 0 HA HIS 2 25 11.210 11.414 0.385 1.00 0.00 H new ATOM 0 HB2 HIS 2 25 10.389 8.881 1.596 1.00 0.00 H new ATOM 0 HB3 HIS 2 25 10.651 8.781 -0.134 1.00 0.00 H new ATOM 0 HD2 HIS 2 25 12.875 10.840 2.448 1.00 0.00 H new ATOM 0 HE1 HIS 2 25 15.323 8.037 0.423 1.00 0.00 H new ATOM 0 HE2 HIS 2 25 15.258 9.980 2.139 1.00 0.00 H new ATOM 1241 N VAL 2 26 8.278 11.596 -0.331 1.00 0.00 N ATOM 1242 CA VAL 2 26 7.270 11.801 -1.357 1.00 0.00 C ATOM 1243 C VAL 2 26 7.959 12.053 -2.700 1.00 0.00 C ATOM 1244 O VAL 2 26 8.740 12.995 -2.833 1.00 0.00 O ATOM 1245 CB VAL 2 26 6.327 12.933 -0.946 1.00 0.00 C ATOM 1246 CG1 VAL 2 26 7.108 14.117 -0.373 1.00 0.00 C ATOM 1247 CG2 VAL 2 26 5.452 13.372 -2.123 1.00 0.00 C ATOM 0 H VAL 2 26 8.059 12.018 0.572 1.00 0.00 H new ATOM 0 HA VAL 2 26 6.654 10.909 -1.471 1.00 0.00 H new ATOM 0 HB VAL 2 26 5.671 12.554 -0.163 1.00 0.00 H new ATOM 0 HG11 VAL 2 26 6.414 14.908 -0.089 1.00 0.00 H new ATOM 0 HG12 VAL 2 26 7.668 13.793 0.504 1.00 0.00 H new ATOM 0 HG13 VAL 2 26 7.800 14.495 -1.126 1.00 0.00 H new ATOM 0 HG21 VAL 2 26 4.791 14.178 -1.804 1.00 0.00 H new ATOM 0 HG22 VAL 2 26 6.086 13.724 -2.937 1.00 0.00 H new ATOM 0 HG23 VAL 2 26 4.855 12.528 -2.467 1.00 0.00 H new ATOM 1257 N THR 2 27 7.645 11.197 -3.661 1.00 0.00 N ATOM 1258 CA THR 2 27 8.224 11.317 -4.988 1.00 0.00 C ATOM 1259 C THR 2 27 7.472 10.427 -5.979 1.00 0.00 C ATOM 1260 O THR 2 27 6.802 9.475 -5.581 1.00 0.00 O ATOM 1261 CB THR 2 27 9.714 10.986 -4.885 1.00 0.00 C ATOM 1262 OG1 THR 2 27 10.362 12.144 -5.403 1.00 0.00 O ATOM 1263 CG2 THR 2 27 10.134 9.866 -5.839 1.00 0.00 C ATOM 0 H THR 2 27 6.997 10.417 -3.547 1.00 0.00 H new ATOM 0 HA THR 2 27 8.127 12.333 -5.372 1.00 0.00 H new ATOM 0 HB THR 2 27 9.951 10.697 -3.861 1.00 0.00 H new ATOM 0 HG1 THR 2 27 11.333 12.017 -5.372 1.00 0.00 H new ATOM 0 HG21 THR 2 27 11.200 9.672 -5.725 1.00 0.00 H new ATOM 0 HG22 THR 2 27 9.573 8.961 -5.607 1.00 0.00 H new ATOM 0 HG23 THR 2 27 9.928 10.167 -6.866 1.00 0.00 H new ATOM 1271 N PRO 2 28 7.612 10.776 -7.287 1.00 0.00 N ATOM 1272 CA PRO 2 28 6.954 10.020 -8.338 1.00 0.00 C ATOM 1273 C PRO 2 28 7.665 8.688 -8.583 1.00 0.00 C ATOM 1274 O PRO 2 28 7.961 8.339 -9.725 1.00 0.00 O ATOM 1275 CB PRO 2 28 6.973 10.936 -9.552 1.00 0.00 C ATOM 1276 CG PRO 2 28 8.045 11.976 -9.272 1.00 0.00 C ATOM 1277 CD PRO 2 28 8.397 11.897 -7.795 1.00 0.00 C ATOM 0 HA PRO 2 28 5.932 9.743 -8.080 1.00 0.00 H new ATOM 0 HB2 PRO 2 28 7.199 10.377 -10.460 1.00 0.00 H new ATOM 0 HB3 PRO 2 28 6.001 11.407 -9.701 1.00 0.00 H new ATOM 0 HG2 PRO 2 28 8.927 11.790 -9.885 1.00 0.00 H new ATOM 0 HG3 PRO 2 28 7.685 12.973 -9.526 1.00 0.00 H new ATOM 0 HD2 PRO 2 28 9.465 11.731 -7.651 1.00 0.00 H new ATOM 0 HD3 PRO 2 28 8.146 12.823 -7.278 1.00 0.00 H new ATOM 1285 N LYS 2 29 7.918 7.980 -7.492 1.00 0.00 N ATOM 1286 CA LYS 2 29 8.590 6.694 -7.574 1.00 0.00 C ATOM 1287 C LYS 2 29 8.762 6.123 -6.165 1.00 0.00 C ATOM 1288 O LYS 2 29 9.017 4.931 -6.001 1.00 0.00 O ATOM 1289 CB LYS 2 29 9.902 6.823 -8.350 1.00 0.00 C ATOM 1290 CG LYS 2 29 10.106 5.627 -9.283 1.00 0.00 C ATOM 1291 CD LYS 2 29 10.440 6.091 -10.703 1.00 0.00 C ATOM 1292 CE LYS 2 29 9.687 5.259 -11.743 1.00 0.00 C ATOM 1293 NZ LYS 2 29 8.278 5.703 -11.842 1.00 0.00 N ATOM 0 H LYS 2 29 7.670 8.272 -6.547 1.00 0.00 H new ATOM 0 HA LYS 2 29 7.984 5.983 -8.135 1.00 0.00 H new ATOM 0 HB2 LYS 2 29 9.896 7.745 -8.931 1.00 0.00 H new ATOM 0 HB3 LYS 2 29 10.737 6.891 -7.652 1.00 0.00 H new ATOM 0 HG2 LYS 2 29 10.911 4.998 -8.903 1.00 0.00 H new ATOM 0 HG3 LYS 2 29 9.204 5.015 -9.299 1.00 0.00 H new ATOM 0 HD2 LYS 2 29 10.180 7.143 -10.816 1.00 0.00 H new ATOM 0 HD3 LYS 2 29 11.513 6.008 -10.874 1.00 0.00 H new ATOM 0 HE2 LYS 2 29 10.173 5.353 -12.714 1.00 0.00 H new ATOM 0 HE3 LYS 2 29 9.724 4.205 -11.469 1.00 0.00 H new ATOM 0 HZ1 LYS 2 29 7.648 4.926 -11.557 1.00 0.00 H new ATOM 0 HZ2 LYS 2 29 8.126 6.519 -11.216 1.00 0.00 H new ATOM 0 HZ3 LYS 2 29 8.068 5.976 -12.823 1.00 0.00 H new ATOM 1307 N GLU 2 30 8.617 7.001 -5.184 1.00 0.00 N ATOM 1308 CA GLU 2 30 8.753 6.599 -3.794 1.00 0.00 C ATOM 1309 C GLU 2 30 7.375 6.367 -3.170 1.00 0.00 C ATOM 1310 O GLU 2 30 7.159 5.368 -2.486 1.00 0.00 O ATOM 1311 CB GLU 2 30 9.547 7.637 -2.999 1.00 0.00 C ATOM 1312 CG GLU 2 30 11.005 7.204 -2.836 1.00 0.00 C ATOM 1313 CD GLU 2 30 11.792 7.428 -4.129 1.00 0.00 C ATOM 1314 OE1 GLU 2 30 12.213 8.586 -4.344 1.00 0.00 O ATOM 1315 OE2 GLU 2 30 11.955 6.438 -4.873 1.00 0.00 O ATOM 0 H GLU 2 30 8.407 7.989 -5.324 1.00 0.00 H new ATOM 0 HA GLU 2 30 9.307 5.661 -3.760 1.00 0.00 H new ATOM 0 HB2 GLU 2 30 9.505 8.600 -3.507 1.00 0.00 H new ATOM 0 HB3 GLU 2 30 9.093 7.774 -2.018 1.00 0.00 H new ATOM 0 HG2 GLU 2 30 11.466 7.766 -2.024 1.00 0.00 H new ATOM 0 HG3 GLU 2 30 11.046 6.151 -2.559 1.00 0.00 H new ATOM 1322 N CYS 2 31 6.478 7.308 -3.429 1.00 0.00 N ATOM 1323 CA CYS 2 31 5.127 7.220 -2.902 1.00 0.00 C ATOM 1324 C CYS 2 31 4.533 5.875 -3.326 1.00 0.00 C ATOM 1325 O CYS 2 31 4.104 5.087 -2.484 1.00 0.00 O ATOM 1326 CB CYS 2 31 4.262 8.395 -3.361 1.00 0.00 C ATOM 1327 SG CYS 2 31 4.707 10.009 -2.622 1.00 0.00 S ATOM 0 H CYS 2 31 6.661 8.135 -3.997 1.00 0.00 H new ATOM 0 HA CYS 2 31 5.155 7.278 -1.814 1.00 0.00 H new ATOM 0 HB2 CYS 2 31 4.330 8.477 -4.446 1.00 0.00 H new ATOM 0 HB3 CYS 2 31 3.221 8.177 -3.123 1.00 0.00 H new ATOM 1332 N ASN 2 32 4.527 5.652 -4.633 1.00 0.00 N ATOM 1333 CA ASN 2 32 3.992 4.417 -5.179 1.00 0.00 C ATOM 1334 C ASN 2 32 4.811 3.236 -4.653 1.00 0.00 C ATOM 1335 O ASN 2 32 4.417 2.082 -4.814 1.00 0.00 O ATOM 1336 CB ASN 2 32 4.076 4.408 -6.706 1.00 0.00 C ATOM 1337 CG ASN 2 32 2.784 4.939 -7.330 1.00 0.00 C ATOM 1338 OD1 ASN 2 32 2.314 6.038 -6.747 1.00 0.00 O flip ATOM 1339 ND2 ASN 2 32 2.250 4.387 -8.278 1.00 0.00 N flip ATOM 0 H ASN 2 32 4.884 6.306 -5.329 1.00 0.00 H new ATOM 0 HA ASN 2 32 2.948 4.338 -4.875 1.00 0.00 H new ATOM 0 HB2 ASN 2 32 4.918 5.019 -7.031 1.00 0.00 H new ATOM 0 HB3 ASN 2 32 4.263 3.393 -7.057 1.00 0.00 H new ATOM 0 HD21 ASN 2 32 2.665 3.545 -8.678 1.00 0.00 H new ATOM 0 HD22 ASN 2 32 1.389 4.767 -8.671 1.00 0.00 H new ATOM 1346 N ASN 2 33 5.936 3.566 -4.035 1.00 0.00 N ATOM 1347 CA ASN 2 33 6.814 2.547 -3.485 1.00 0.00 C ATOM 1348 C ASN 2 33 6.412 2.262 -2.037 1.00 0.00 C ATOM 1349 O ASN 2 33 6.489 1.122 -1.580 1.00 0.00 O ATOM 1350 CB ASN 2 33 8.271 3.013 -3.489 1.00 0.00 C ATOM 1351 CG ASN 2 33 9.214 1.865 -3.852 1.00 0.00 C ATOM 1352 OD1 ASN 2 33 8.818 0.853 -4.406 1.00 0.00 O ATOM 1353 ND2 ASN 2 33 10.482 2.077 -3.509 1.00 0.00 N ATOM 0 H ASN 2 33 6.259 4.524 -3.903 1.00 0.00 H new ATOM 0 HA ASN 2 33 6.721 1.653 -4.102 1.00 0.00 H new ATOM 0 HB2 ASN 2 33 8.394 3.828 -4.202 1.00 0.00 H new ATOM 0 HB3 ASN 2 33 8.533 3.407 -2.507 1.00 0.00 H new ATOM 0 HD21 ASN 2 33 11.189 1.369 -3.708 1.00 0.00 H new ATOM 0 HD22 ASN 2 33 10.747 2.947 -3.047 1.00 0.00 H new ATOM 1360 N ARG 2 34 5.994 3.318 -1.354 1.00 0.00 N ATOM 1361 CA ARG 2 34 5.580 3.195 0.034 1.00 0.00 C ATOM 1362 C ARG 2 34 4.129 2.715 0.115 1.00 0.00 C ATOM 1363 O ARG 2 34 3.727 2.111 1.107 1.00 0.00 O ATOM 1364 CB ARG 2 34 5.710 4.532 0.766 1.00 0.00 C ATOM 1365 CG ARG 2 34 6.960 5.288 0.311 1.00 0.00 C ATOM 1366 CD ARG 2 34 7.943 5.469 1.470 1.00 0.00 C ATOM 1367 NE ARG 2 34 9.296 5.031 1.057 1.00 0.00 N ATOM 1368 CZ ARG 2 34 10.380 5.103 1.841 1.00 0.00 C ATOM 1369 NH1 ARG 2 34 10.277 5.595 3.082 1.00 0.00 N ATOM 1370 NH2 ARG 2 34 11.566 4.683 1.383 1.00 0.00 N ATOM 0 H ARG 2 34 5.933 4.262 -1.735 1.00 0.00 H new ATOM 0 HA ARG 2 34 6.234 2.466 0.513 1.00 0.00 H new ATOM 0 HB2 ARG 2 34 4.825 5.140 0.579 1.00 0.00 H new ATOM 0 HB3 ARG 2 34 5.757 4.359 1.841 1.00 0.00 H new ATOM 0 HG2 ARG 2 34 7.444 4.743 -0.500 1.00 0.00 H new ATOM 0 HG3 ARG 2 34 6.676 6.263 -0.085 1.00 0.00 H new ATOM 0 HD2 ARG 2 34 7.968 6.515 1.777 1.00 0.00 H new ATOM 0 HD3 ARG 2 34 7.612 4.891 2.333 1.00 0.00 H new ATOM 0 HE ARG 2 34 9.410 4.651 0.117 1.00 0.00 H new ATOM 0 HH11 ARG 2 34 9.373 5.915 3.430 1.00 0.00 H new ATOM 0 HH12 ARG 2 34 11.102 5.650 3.679 1.00 0.00 H new ATOM 0 HH21 ARG 2 34 11.644 4.308 0.437 1.00 0.00 H new ATOM 0 HH22 ARG 2 34 12.392 4.738 1.980 1.00 0.00 H new ATOM 1384 N GLY 2 35 3.384 3.003 -0.941 1.00 0.00 N ATOM 1385 CA GLY 2 35 1.986 2.609 -1.003 1.00 0.00 C ATOM 1386 C GLY 2 35 1.076 3.834 -1.106 1.00 0.00 C ATOM 1387 O GLY 2 35 -0.082 3.787 -0.692 1.00 0.00 O ATOM 0 H GLY 2 35 3.722 3.505 -1.762 1.00 0.00 H new ATOM 0 HA2 GLY 2 35 1.825 1.959 -1.863 1.00 0.00 H new ATOM 0 HA3 GLY 2 35 1.727 2.033 -0.115 1.00 0.00 H new ATOM 1391 N CYS 2 36 1.632 4.901 -1.659 1.00 0.00 N ATOM 1392 CA CYS 2 36 0.883 6.136 -1.822 1.00 0.00 C ATOM 1393 C CYS 2 36 0.820 6.466 -3.315 1.00 0.00 C ATOM 1394 O CYS 2 36 1.510 5.844 -4.121 1.00 0.00 O ATOM 1395 CB CYS 2 36 1.495 7.279 -1.009 1.00 0.00 C ATOM 1396 SG CYS 2 36 1.749 6.910 0.764 1.00 0.00 S ATOM 0 H CYS 2 36 2.593 4.937 -2.000 1.00 0.00 H new ATOM 0 HA CYS 2 36 -0.129 6.005 -1.438 1.00 0.00 H new ATOM 0 HB2 CYS 2 36 2.455 7.547 -1.451 1.00 0.00 H new ATOM 0 HB3 CYS 2 36 0.850 8.153 -1.095 1.00 0.00 H new ATOM 1401 N CYS 2 37 -0.012 7.446 -3.637 1.00 0.00 N ATOM 1402 CA CYS 2 37 -0.174 7.866 -5.018 1.00 0.00 C ATOM 1403 C CYS 2 37 0.369 9.290 -5.153 1.00 0.00 C ATOM 1404 O CYS 2 37 0.060 10.156 -4.335 1.00 0.00 O ATOM 1405 CB CYS 2 37 -1.631 7.765 -5.473 1.00 0.00 C ATOM 1406 SG CYS 2 37 -1.855 7.371 -7.246 1.00 0.00 S ATOM 0 H CYS 2 37 -0.581 7.961 -2.965 1.00 0.00 H new ATOM 0 HA CYS 2 37 0.389 7.200 -5.672 1.00 0.00 H new ATOM 0 HB2 CYS 2 37 -2.130 6.999 -4.879 1.00 0.00 H new ATOM 0 HB3 CYS 2 37 -2.130 8.710 -5.259 1.00 0.00 H new ATOM 0 HG CYS 2 37 -3.124 7.308 -7.520 1.00 0.00 H new ATOM 1411 N PHE 2 38 1.168 9.489 -6.191 1.00 0.00 N ATOM 1412 CA PHE 2 38 1.757 10.793 -6.444 1.00 0.00 C ATOM 1413 C PHE 2 38 0.921 11.587 -7.449 1.00 0.00 C ATOM 1414 O PHE 2 38 0.781 11.181 -8.602 1.00 0.00 O ATOM 1415 CB PHE 2 38 3.147 10.549 -7.033 1.00 0.00 C ATOM 1416 CG PHE 2 38 4.013 11.808 -7.125 1.00 0.00 C ATOM 1417 CD1 PHE 2 38 4.588 12.320 -6.004 1.00 0.00 C ATOM 1418 CD2 PHE 2 38 4.209 12.413 -8.327 1.00 0.00 C ATOM 1419 CE1 PHE 2 38 5.391 13.488 -6.089 1.00 0.00 C ATOM 1420 CE2 PHE 2 38 5.014 13.580 -8.412 1.00 0.00 C ATOM 1421 CZ PHE 2 38 5.587 14.093 -7.291 1.00 0.00 C ATOM 0 H PHE 2 38 1.421 8.768 -6.867 1.00 0.00 H new ATOM 0 HA PHE 2 38 1.803 11.367 -5.518 1.00 0.00 H new ATOM 0 HB2 PHE 2 38 3.664 9.808 -6.423 1.00 0.00 H new ATOM 0 HB3 PHE 2 38 3.038 10.121 -8.030 1.00 0.00 H new ATOM 0 HD1 PHE 2 38 4.434 11.839 -5.050 1.00 0.00 H new ATOM 0 HD2 PHE 2 38 3.752 12.006 -9.217 1.00 0.00 H new ATOM 0 HE1 PHE 2 38 5.846 13.896 -5.199 1.00 0.00 H new ATOM 0 HE2 PHE 2 38 5.171 14.060 -9.367 1.00 0.00 H new ATOM 0 HZ PHE 2 38 6.198 14.981 -7.355 1.00 0.00 H new ATOM 1431 N ASP 2 39 0.387 12.703 -6.977 1.00 0.00 N ATOM 1432 CA ASP 2 39 -0.432 13.556 -7.820 1.00 0.00 C ATOM 1433 C ASP 2 39 0.473 14.353 -8.764 1.00 0.00 C ATOM 1434 O ASP 2 39 0.685 13.957 -9.908 1.00 0.00 O ATOM 1435 CB ASP 2 39 -1.235 14.553 -6.982 1.00 0.00 C ATOM 1436 CG ASP 2 39 -1.481 15.908 -7.648 1.00 0.00 C ATOM 1437 OD1 ASP 2 39 -2.231 15.921 -8.647 1.00 0.00 O ATOM 1438 OD2 ASP 2 39 -0.914 16.901 -7.142 1.00 0.00 O ATOM 0 H ASP 2 39 0.506 13.037 -6.020 1.00 0.00 H new ATOM 0 HA ASP 2 39 -1.119 12.919 -8.378 1.00 0.00 H new ATOM 0 HB2 ASP 2 39 -2.198 14.106 -6.737 1.00 0.00 H new ATOM 0 HB3 ASP 2 39 -0.711 14.718 -6.040 1.00 0.00 H new ATOM 1443 N SER 2 40 0.980 15.463 -8.247 1.00 0.00 N ATOM 1444 CA SER 2 40 1.857 16.319 -9.028 1.00 0.00 C ATOM 1445 C SER 2 40 1.027 17.307 -9.850 1.00 0.00 C ATOM 1446 O SER 2 40 1.517 18.369 -10.230 1.00 0.00 O ATOM 1447 CB SER 2 40 2.759 15.491 -9.946 1.00 0.00 C ATOM 1448 OG SER 2 40 4.072 16.039 -10.040 1.00 0.00 O ATOM 0 H SER 2 40 0.800 15.789 -7.297 1.00 0.00 H new ATOM 0 HA SER 2 40 2.495 16.874 -8.340 1.00 0.00 H new ATOM 0 HB2 SER 2 40 2.818 14.469 -9.571 1.00 0.00 H new ATOM 0 HB3 SER 2 40 2.315 15.440 -10.940 1.00 0.00 H new ATOM 0 HG SER 2 40 4.611 15.728 -9.283 1.00 0.00 H new ATOM 1454 N ARG 2 41 -0.216 16.923 -10.100 1.00 0.00 N ATOM 1455 CA ARG 2 41 -1.118 17.762 -10.870 1.00 0.00 C ATOM 1456 C ARG 2 41 -1.421 19.053 -10.107 1.00 0.00 C ATOM 1457 O ARG 2 41 -1.463 20.131 -10.697 1.00 0.00 O ATOM 1458 CB ARG 2 41 -2.430 17.032 -11.166 1.00 0.00 C ATOM 1459 CG ARG 2 41 -2.173 15.571 -11.538 1.00 0.00 C ATOM 1460 CD ARG 2 41 -3.110 15.116 -12.658 1.00 0.00 C ATOM 1461 NE ARG 2 41 -2.597 15.578 -13.967 1.00 0.00 N ATOM 1462 CZ ARG 2 41 -3.189 15.316 -15.141 1.00 0.00 C ATOM 1463 NH1 ARG 2 41 -4.318 14.596 -15.176 1.00 0.00 N ATOM 1464 NH2 ARG 2 41 -2.652 15.776 -16.279 1.00 0.00 N ATOM 0 H ARG 2 41 -0.620 16.042 -9.783 1.00 0.00 H new ATOM 0 HA ARG 2 41 -0.627 18.000 -11.814 1.00 0.00 H new ATOM 0 HB2 ARG 2 41 -3.081 17.080 -10.293 1.00 0.00 H new ATOM 0 HB3 ARG 2 41 -2.952 17.532 -11.982 1.00 0.00 H new ATOM 0 HG2 ARG 2 41 -1.137 15.450 -11.854 1.00 0.00 H new ATOM 0 HG3 ARG 2 41 -2.315 14.939 -10.661 1.00 0.00 H new ATOM 0 HD2 ARG 2 41 -3.194 14.029 -12.654 1.00 0.00 H new ATOM 0 HD3 ARG 2 41 -4.111 15.513 -12.490 1.00 0.00 H new ATOM 0 HE ARG 2 41 -1.739 16.130 -13.977 1.00 0.00 H new ATOM 0 HH11 ARG 2 41 -4.727 14.247 -14.309 1.00 0.00 H new ATOM 0 HH12 ARG 2 41 -4.768 14.397 -16.069 1.00 0.00 H new ATOM 0 HH21 ARG 2 41 -1.793 16.325 -16.252 1.00 0.00 H new ATOM 0 HH22 ARG 2 41 -3.102 15.577 -17.172 1.00 0.00 H new ATOM 1478 N ILE 2 42 -1.627 18.901 -8.807 1.00 0.00 N ATOM 1479 CA ILE 2 42 -1.926 20.041 -7.958 1.00 0.00 C ATOM 1480 C ILE 2 42 -0.860 20.152 -6.866 1.00 0.00 C ATOM 1481 O ILE 2 42 -0.839 19.353 -5.931 1.00 0.00 O ATOM 1482 CB ILE 2 42 -3.353 19.946 -7.416 1.00 0.00 C ATOM 1483 CG1 ILE 2 42 -4.296 19.338 -8.457 1.00 0.00 C ATOM 1484 CG2 ILE 2 42 -3.845 21.310 -6.926 1.00 0.00 C ATOM 1485 CD1 ILE 2 42 -5.756 19.645 -8.121 1.00 0.00 C ATOM 0 H ILE 2 42 -1.593 18.005 -8.321 1.00 0.00 H new ATOM 0 HA ILE 2 42 -1.890 20.965 -8.535 1.00 0.00 H new ATOM 0 HB ILE 2 42 -3.348 19.277 -6.556 1.00 0.00 H new ATOM 0 HG12 ILE 2 42 -4.056 19.732 -9.444 1.00 0.00 H new ATOM 0 HG13 ILE 2 42 -4.148 18.259 -8.500 1.00 0.00 H new ATOM 0 HG21 ILE 2 42 -4.862 21.215 -6.546 1.00 0.00 H new ATOM 0 HG22 ILE 2 42 -3.192 21.668 -6.130 1.00 0.00 H new ATOM 0 HG23 ILE 2 42 -3.832 22.020 -7.753 1.00 0.00 H new ATOM 0 HD11 ILE 2 42 -6.404 19.201 -8.877 1.00 0.00 H new ATOM 0 HD12 ILE 2 42 -6.000 19.228 -7.144 1.00 0.00 H new ATOM 0 HD13 ILE 2 42 -5.906 20.724 -8.103 1.00 0.00 H new ATOM 1497 N PRO 2 43 0.022 21.174 -7.025 1.00 0.00 N ATOM 1498 CA PRO 2 43 1.088 21.399 -6.064 1.00 0.00 C ATOM 1499 C PRO 2 43 0.544 22.023 -4.778 1.00 0.00 C ATOM 1500 O PRO 2 43 1.282 22.202 -3.809 1.00 0.00 O ATOM 1501 CB PRO 2 43 2.084 22.296 -6.783 1.00 0.00 C ATOM 1502 CG PRO 2 43 1.324 22.915 -7.944 1.00 0.00 C ATOM 1503 CD PRO 2 43 0.028 22.140 -8.120 1.00 0.00 C ATOM 0 HA PRO 2 43 1.565 20.474 -5.742 1.00 0.00 H new ATOM 0 HB2 PRO 2 43 2.470 23.065 -6.114 1.00 0.00 H new ATOM 0 HB3 PRO 2 43 2.940 21.723 -7.138 1.00 0.00 H new ATOM 0 HG2 PRO 2 43 1.116 23.967 -7.747 1.00 0.00 H new ATOM 0 HG3 PRO 2 43 1.920 22.874 -8.856 1.00 0.00 H new ATOM 0 HD2 PRO 2 43 -0.838 22.800 -8.070 1.00 0.00 H new ATOM 0 HD3 PRO 2 43 -0.007 21.641 -9.088 1.00 0.00 H new ATOM 1511 N GLY 2 44 -0.743 22.338 -4.809 1.00 0.00 N ATOM 1512 CA GLY 2 44 -1.394 22.938 -3.657 1.00 0.00 C ATOM 1513 C GLY 2 44 -2.015 21.866 -2.758 1.00 0.00 C ATOM 1514 O GLY 2 44 -2.517 22.172 -1.677 1.00 0.00 O ATOM 0 H GLY 2 44 -1.352 22.189 -5.614 1.00 0.00 H new ATOM 0 HA2 GLY 2 44 -0.669 23.520 -3.088 1.00 0.00 H new ATOM 0 HA3 GLY 2 44 -2.167 23.630 -3.991 1.00 0.00 H new ATOM 1518 N VAL 2 45 -1.962 20.633 -3.239 1.00 0.00 N ATOM 1519 CA VAL 2 45 -2.513 19.515 -2.492 1.00 0.00 C ATOM 1520 C VAL 2 45 -1.405 18.497 -2.215 1.00 0.00 C ATOM 1521 O VAL 2 45 -0.245 18.729 -2.553 1.00 0.00 O ATOM 1522 CB VAL 2 45 -3.700 18.914 -3.248 1.00 0.00 C ATOM 1523 CG1 VAL 2 45 -4.485 20.001 -3.988 1.00 0.00 C ATOM 1524 CG2 VAL 2 45 -3.240 17.818 -4.211 1.00 0.00 C ATOM 0 H VAL 2 45 -1.546 20.383 -4.136 1.00 0.00 H new ATOM 0 HA VAL 2 45 -2.895 19.852 -1.528 1.00 0.00 H new ATOM 0 HB VAL 2 45 -4.367 18.457 -2.516 1.00 0.00 H new ATOM 0 HG11 VAL 2 45 -5.323 19.548 -4.517 1.00 0.00 H new ATOM 0 HG12 VAL 2 45 -4.860 20.731 -3.271 1.00 0.00 H new ATOM 0 HG13 VAL 2 45 -3.831 20.499 -4.703 1.00 0.00 H new ATOM 0 HG21 VAL 2 45 -4.103 17.408 -4.735 1.00 0.00 H new ATOM 0 HG22 VAL 2 45 -2.542 18.239 -4.935 1.00 0.00 H new ATOM 0 HG23 VAL 2 45 -2.746 17.025 -3.650 1.00 0.00 H new ATOM 1534 N PRO 2 46 -1.812 17.361 -1.586 1.00 0.00 N ATOM 1535 CA PRO 2 46 -0.866 16.307 -1.259 1.00 0.00 C ATOM 1536 C PRO 2 46 -0.474 15.516 -2.509 1.00 0.00 C ATOM 1537 O PRO 2 46 -1.329 14.922 -3.165 1.00 0.00 O ATOM 1538 CB PRO 2 46 -1.570 15.457 -0.215 1.00 0.00 C ATOM 1539 CG PRO 2 46 -3.049 15.789 -0.335 1.00 0.00 C ATOM 1540 CD PRO 2 46 -3.176 17.052 -1.171 1.00 0.00 C ATOM 0 HA PRO 2 46 0.076 16.693 -0.870 1.00 0.00 H new ATOM 0 HB2 PRO 2 46 -1.392 14.396 -0.391 1.00 0.00 H new ATOM 0 HB3 PRO 2 46 -1.199 15.681 0.785 1.00 0.00 H new ATOM 0 HG2 PRO 2 46 -3.588 14.966 -0.803 1.00 0.00 H new ATOM 0 HG3 PRO 2 46 -3.488 15.938 0.651 1.00 0.00 H new ATOM 0 HD2 PRO 2 46 -3.825 16.893 -2.032 1.00 0.00 H new ATOM 0 HD3 PRO 2 46 -3.608 17.868 -0.592 1.00 0.00 H new ATOM 1548 N TRP 2 47 0.818 15.533 -2.801 1.00 0.00 N ATOM 1549 CA TRP 2 47 1.334 14.824 -3.960 1.00 0.00 C ATOM 1550 C TRP 2 47 1.746 13.422 -3.511 1.00 0.00 C ATOM 1551 O TRP 2 47 2.641 12.816 -4.099 1.00 0.00 O ATOM 1552 CB TRP 2 47 2.476 15.602 -4.615 1.00 0.00 C ATOM 1553 CG TRP 2 47 2.589 17.055 -4.146 1.00 0.00 C ATOM 1554 CD1 TRP 2 47 1.836 18.102 -4.511 1.00 0.00 C ATOM 1555 CD2 TRP 2 47 3.547 17.582 -3.202 1.00 0.00 C ATOM 1556 NE1 TRP 2 47 2.236 19.259 -3.876 1.00 0.00 N ATOM 1557 CE2 TRP 2 47 3.309 18.933 -3.055 1.00 0.00 C ATOM 1558 CE3 TRP 2 47 4.578 16.937 -2.497 1.00 0.00 C ATOM 1559 CZ2 TRP 2 47 4.063 19.756 -2.208 1.00 0.00 C ATOM 1560 CZ3 TRP 2 47 5.322 17.774 -1.656 1.00 0.00 C ATOM 1561 CH2 TRP 2 47 5.096 19.135 -1.496 1.00 0.00 C ATOM 0 H TRP 2 47 1.524 16.027 -2.255 1.00 0.00 H new ATOM 0 HA TRP 2 47 0.567 14.732 -4.729 1.00 0.00 H new ATOM 0 HB2 TRP 2 47 3.416 15.090 -4.408 1.00 0.00 H new ATOM 0 HB3 TRP 2 47 2.337 15.590 -5.696 1.00 0.00 H new ATOM 0 HD1 TRP 2 47 1.018 18.047 -5.214 1.00 0.00 H new ATOM 0 HE1 TRP 2 47 1.821 20.184 -3.988 1.00 0.00 H new ATOM 0 HE3 TRP 2 47 4.780 15.881 -2.596 1.00 0.00 H new ATOM 0 HZ2 TRP 2 47 3.858 20.812 -2.110 1.00 0.00 H new ATOM 0 HZ3 TRP 2 47 6.129 17.330 -1.092 1.00 0.00 H new ATOM 0 HH2 TRP 2 47 5.715 19.712 -0.825 1.00 0.00 H new ATOM 1572 N CYS 2 48 1.075 12.944 -2.473 1.00 0.00 N ATOM 1573 CA CYS 2 48 1.360 11.624 -1.938 1.00 0.00 C ATOM 1574 C CYS 2 48 0.235 11.242 -0.975 1.00 0.00 C ATOM 1575 O CYS 2 48 0.111 11.823 0.102 1.00 0.00 O ATOM 1576 CB CYS 2 48 2.732 11.572 -1.263 1.00 0.00 C ATOM 1577 SG CYS 2 48 3.388 9.885 -0.988 1.00 0.00 S ATOM 0 H CYS 2 48 0.333 13.449 -1.988 1.00 0.00 H new ATOM 0 HA CYS 2 48 1.401 10.900 -2.752 1.00 0.00 H new ATOM 0 HB2 CYS 2 48 3.443 12.128 -1.874 1.00 0.00 H new ATOM 0 HB3 CYS 2 48 2.668 12.083 -0.302 1.00 0.00 H new ATOM 1582 N PHE 2 49 -0.557 10.267 -1.397 1.00 0.00 N ATOM 1583 CA PHE 2 49 -1.668 9.801 -0.585 1.00 0.00 C ATOM 1584 C PHE 2 49 -1.956 8.322 -0.847 1.00 0.00 C ATOM 1585 O PHE 2 49 -1.187 7.647 -1.531 1.00 0.00 O ATOM 1586 CB PHE 2 49 -2.892 10.626 -0.986 1.00 0.00 C ATOM 1587 CG PHE 2 49 -2.884 11.082 -2.446 1.00 0.00 C ATOM 1588 CD1 PHE 2 49 -2.017 12.049 -2.851 1.00 0.00 C ATOM 1589 CD2 PHE 2 49 -3.743 10.522 -3.339 1.00 0.00 C ATOM 1590 CE1 PHE 2 49 -2.010 12.474 -4.206 1.00 0.00 C ATOM 1591 CE2 PHE 2 49 -3.736 10.946 -4.694 1.00 0.00 C ATOM 1592 CZ PHE 2 49 -2.869 11.913 -5.099 1.00 0.00 C ATOM 0 H PHE 2 49 -0.451 9.787 -2.291 1.00 0.00 H new ATOM 0 HA PHE 2 49 -1.429 9.915 0.472 1.00 0.00 H new ATOM 0 HB2 PHE 2 49 -3.790 10.036 -0.805 1.00 0.00 H new ATOM 0 HB3 PHE 2 49 -2.953 11.504 -0.342 1.00 0.00 H new ATOM 0 HD1 PHE 2 49 -1.334 12.493 -2.142 1.00 0.00 H new ATOM 0 HD2 PHE 2 49 -4.431 9.754 -3.017 1.00 0.00 H new ATOM 0 HE1 PHE 2 49 -1.323 13.243 -4.527 1.00 0.00 H new ATOM 0 HE2 PHE 2 49 -4.419 10.501 -5.403 1.00 0.00 H new ATOM 0 HZ PHE 2 49 -2.863 12.235 -6.130 1.00 0.00 H new ATOM 1602 N LYS 2 50 -3.066 7.860 -0.291 1.00 0.00 N ATOM 1603 CA LYS 2 50 -3.465 6.472 -0.456 1.00 0.00 C ATOM 1604 C LYS 2 50 -4.860 6.419 -1.083 1.00 0.00 C ATOM 1605 O LYS 2 50 -5.834 6.084 -0.411 1.00 0.00 O ATOM 1606 CB LYS 2 50 -3.359 5.722 0.873 1.00 0.00 C ATOM 1607 CG LYS 2 50 -3.497 6.681 2.056 1.00 0.00 C ATOM 1608 CD LYS 2 50 -2.127 7.193 2.510 1.00 0.00 C ATOM 1609 CE LYS 2 50 -1.165 6.031 2.762 1.00 0.00 C ATOM 1610 NZ LYS 2 50 -1.882 4.882 3.359 1.00 0.00 N ATOM 0 H LYS 2 50 -3.702 8.422 0.275 1.00 0.00 H new ATOM 0 HA LYS 2 50 -2.788 5.959 -1.139 1.00 0.00 H new ATOM 0 HB2 LYS 2 50 -4.135 4.959 0.927 1.00 0.00 H new ATOM 0 HB3 LYS 2 50 -2.400 5.206 0.928 1.00 0.00 H new ATOM 0 HG2 LYS 2 50 -4.129 7.523 1.774 1.00 0.00 H new ATOM 0 HG3 LYS 2 50 -3.992 6.174 2.884 1.00 0.00 H new ATOM 0 HD2 LYS 2 50 -1.712 7.855 1.750 1.00 0.00 H new ATOM 0 HD3 LYS 2 50 -2.238 7.782 3.420 1.00 0.00 H new ATOM 0 HE2 LYS 2 50 -0.698 5.728 1.825 1.00 0.00 H new ATOM 0 HE3 LYS 2 50 -0.364 6.353 3.428 1.00 0.00 H new ATOM 0 HZ1 LYS 2 50 -1.216 4.307 3.914 1.00 0.00 H new ATOM 0 HZ2 LYS 2 50 -2.640 5.230 3.980 1.00 0.00 H new ATOM 0 HZ3 LYS 2 50 -2.295 4.300 2.603 1.00 0.00 H new ATOM 1624 N PRO 2 51 -4.913 6.762 -2.398 1.00 0.00 N ATOM 1625 CA PRO 2 51 -6.173 6.756 -3.123 1.00 0.00 C ATOM 1626 C PRO 2 51 -6.615 5.327 -3.442 1.00 0.00 C ATOM 1627 O PRO 2 51 -7.216 4.657 -2.603 1.00 0.00 O ATOM 1628 CB PRO 2 51 -5.914 7.590 -4.367 1.00 0.00 C ATOM 1629 CG PRO 2 51 -4.404 7.643 -4.527 1.00 0.00 C ATOM 1630 CD PRO 2 51 -3.780 7.163 -3.227 1.00 0.00 C ATOM 0 HA PRO 2 51 -6.995 7.175 -2.543 1.00 0.00 H new ATOM 0 HB2 PRO 2 51 -6.384 7.142 -5.242 1.00 0.00 H new ATOM 0 HB3 PRO 2 51 -6.331 8.591 -4.259 1.00 0.00 H new ATOM 0 HG2 PRO 2 51 -4.086 7.014 -5.358 1.00 0.00 H new ATOM 0 HG3 PRO 2 51 -4.080 8.659 -4.754 1.00 0.00 H new ATOM 0 HD2 PRO 2 51 -3.100 6.329 -3.399 1.00 0.00 H new ATOM 0 HD3 PRO 2 51 -3.201 7.954 -2.750 1.00 0.00 H new ATOM 1638 N LEU 2 52 -6.301 4.901 -4.658 1.00 0.00 N ATOM 1639 CA LEU 2 52 -6.658 3.564 -5.098 1.00 0.00 C ATOM 1640 C LEU 2 52 -5.427 2.659 -5.016 1.00 0.00 C ATOM 1641 O LEU 2 52 -5.207 1.823 -5.891 1.00 0.00 O ATOM 1642 CB LEU 2 52 -7.295 3.610 -6.488 1.00 0.00 C ATOM 1643 CG LEU 2 52 -6.337 3.452 -7.670 1.00 0.00 C ATOM 1644 CD1 LEU 2 52 -6.543 2.105 -8.367 1.00 0.00 C ATOM 1645 CD2 LEU 2 52 -6.468 4.626 -8.643 1.00 0.00 C ATOM 0 H LEU 2 52 -5.803 5.459 -5.351 1.00 0.00 H new ATOM 0 HA LEU 2 52 -7.414 3.136 -4.440 1.00 0.00 H new ATOM 0 HB2 LEU 2 52 -8.047 2.823 -6.548 1.00 0.00 H new ATOM 0 HB3 LEU 2 52 -7.819 4.560 -6.595 1.00 0.00 H new ATOM 0 HG LEU 2 52 -5.317 3.464 -7.286 1.00 0.00 H new ATOM 0 HD11 LEU 2 52 -5.850 2.018 -9.204 1.00 0.00 H new ATOM 0 HD12 LEU 2 52 -6.360 1.297 -7.659 1.00 0.00 H new ATOM 0 HD13 LEU 2 52 -7.567 2.039 -8.736 1.00 0.00 H new ATOM 0 HD21 LEU 2 52 -5.776 4.489 -9.474 1.00 0.00 H new ATOM 0 HD22 LEU 2 52 -7.488 4.671 -9.024 1.00 0.00 H new ATOM 0 HD23 LEU 2 52 -6.233 5.556 -8.125 1.00 0.00 H new ATOM 1657 N GLN 2 53 -4.658 2.855 -3.955 1.00 0.00 N ATOM 1658 CA GLN 2 53 -3.455 2.067 -3.747 1.00 0.00 C ATOM 1659 C GLN 2 53 -3.774 0.574 -3.845 1.00 0.00 C ATOM 1660 O GLN 2 53 -2.879 -0.244 -4.049 1.00 0.00 O ATOM 1661 CB GLN 2 53 -2.807 2.401 -2.402 1.00 0.00 C ATOM 1662 CG GLN 2 53 -2.467 3.890 -2.312 1.00 0.00 C ATOM 1663 CD GLN 2 53 -1.466 4.292 -3.398 1.00 0.00 C ATOM 1664 OE1 GLN 2 53 -0.261 4.207 -3.231 1.00 0.00 O ATOM 1665 NE2 GLN 2 53 -2.033 4.731 -4.519 1.00 0.00 N ATOM 0 H GLN 2 53 -4.845 3.548 -3.230 1.00 0.00 H new ATOM 0 HA GLN 2 53 -2.740 2.318 -4.531 1.00 0.00 H new ATOM 0 HB2 GLN 2 53 -3.483 2.129 -1.591 1.00 0.00 H new ATOM 0 HB3 GLN 2 53 -1.901 1.809 -2.274 1.00 0.00 H new ATOM 0 HG2 GLN 2 53 -3.377 4.481 -2.415 1.00 0.00 H new ATOM 0 HG3 GLN 2 53 -2.051 4.113 -1.329 1.00 0.00 H new ATOM 0 HE21 GLN 2 53 -3.049 4.777 -4.592 1.00 0.00 H new ATOM 0 HE22 GLN 2 53 -1.451 5.022 -5.305 1.00 0.00 H new ATOM 1674 N GLU 2 54 -5.054 0.265 -3.695 1.00 0.00 N ATOM 1675 CA GLU 2 54 -5.504 -1.116 -3.765 1.00 0.00 C ATOM 1676 C GLU 2 54 -4.798 -1.846 -4.908 1.00 0.00 C ATOM 1677 O GLU 2 54 -4.682 -3.071 -4.890 1.00 0.00 O ATOM 1678 CB GLU 2 54 -7.024 -1.190 -3.921 1.00 0.00 C ATOM 1679 CG GLU 2 54 -7.443 -0.882 -5.360 1.00 0.00 C ATOM 1680 CD GLU 2 54 -8.154 -2.080 -5.991 1.00 0.00 C ATOM 1681 OE1 GLU 2 54 -9.005 -2.670 -5.291 1.00 0.00 O ATOM 1682 OE2 GLU 2 54 -7.832 -2.380 -7.161 1.00 0.00 O ATOM 0 H GLU 2 54 -5.794 0.947 -3.525 1.00 0.00 H new ATOM 0 HA GLU 2 54 -5.244 -1.611 -2.829 1.00 0.00 H new ATOM 0 HB2 GLU 2 54 -7.374 -2.184 -3.641 1.00 0.00 H new ATOM 0 HB3 GLU 2 54 -7.498 -0.482 -3.241 1.00 0.00 H new ATOM 0 HG2 GLU 2 54 -8.103 -0.015 -5.373 1.00 0.00 H new ATOM 0 HG3 GLU 2 54 -6.565 -0.623 -5.951 1.00 0.00 H new ATOM 1689 N ALA 2 55 -4.347 -1.064 -5.878 1.00 0.00 N ATOM 1690 CA ALA 2 55 -3.656 -1.622 -7.029 1.00 0.00 C ATOM 1691 C ALA 2 55 -2.861 -2.854 -6.594 1.00 0.00 C ATOM 1692 O ALA 2 55 -3.161 -3.971 -7.013 1.00 0.00 O ATOM 1693 CB ALA 2 55 -2.768 -0.549 -7.660 1.00 0.00 C ATOM 0 H ALA 2 55 -4.446 -0.049 -5.891 1.00 0.00 H new ATOM 0 HA ALA 2 55 -4.371 -1.942 -7.787 1.00 0.00 H new ATOM 0 HB1 ALA 2 55 -2.250 -0.967 -8.523 1.00 0.00 H new ATOM 0 HB2 ALA 2 55 -3.384 0.292 -7.979 1.00 0.00 H new ATOM 0 HB3 ALA 2 55 -2.036 -0.206 -6.929 1.00 0.00 H new ATOM 1699 N GLU 2 56 -1.863 -2.610 -5.757 1.00 0.00 N ATOM 1700 CA GLU 2 56 -1.022 -3.686 -5.259 1.00 0.00 C ATOM 1701 C GLU 2 56 -0.625 -3.421 -3.807 1.00 0.00 C ATOM 1702 O GLU 2 56 0.358 -3.975 -3.317 1.00 0.00 O ATOM 1703 CB GLU 2 56 0.214 -3.869 -6.141 1.00 0.00 C ATOM 1704 CG GLU 2 56 -0.028 -4.933 -7.213 1.00 0.00 C ATOM 1705 CD GLU 2 56 1.098 -4.937 -8.248 1.00 0.00 C ATOM 1706 OE1 GLU 2 56 1.027 -4.094 -9.168 1.00 0.00 O ATOM 1707 OE2 GLU 2 56 2.005 -5.783 -8.096 1.00 0.00 O ATOM 0 H GLU 2 56 -1.618 -1.682 -5.411 1.00 0.00 H new ATOM 0 HA GLU 2 56 -1.594 -4.613 -5.295 1.00 0.00 H new ATOM 0 HB2 GLU 2 56 0.470 -2.922 -6.616 1.00 0.00 H new ATOM 0 HB3 GLU 2 56 1.066 -4.157 -5.524 1.00 0.00 H new ATOM 0 HG2 GLU 2 56 -0.100 -5.915 -6.746 1.00 0.00 H new ATOM 0 HG3 GLU 2 56 -0.981 -4.745 -7.708 1.00 0.00 H new ATOM 1714 N CYS 2 57 -1.411 -2.575 -3.157 1.00 0.00 N ATOM 1715 CA CYS 2 57 -1.153 -2.230 -1.769 1.00 0.00 C ATOM 1716 C CYS 2 57 -2.095 -3.053 -0.886 1.00 0.00 C ATOM 1717 O CYS 2 57 -1.646 -3.761 0.014 1.00 0.00 O ATOM 1718 CB CYS 2 57 -1.307 -0.727 -1.521 1.00 0.00 C ATOM 1719 SG CYS 2 57 0.075 0.044 -0.603 1.00 0.00 S ATOM 0 H CYS 2 57 -2.226 -2.118 -3.566 1.00 0.00 H new ATOM 0 HA CYS 2 57 -0.119 -2.469 -1.519 1.00 0.00 H new ATOM 0 HB2 CYS 2 57 -1.412 -0.223 -2.482 1.00 0.00 H new ATOM 0 HB3 CYS 2 57 -2.231 -0.557 -0.969 1.00 0.00 H new ATOM 1724 N THR 2 58 -3.382 -2.931 -1.175 1.00 0.00 N ATOM 1725 CA THR 2 58 -4.390 -3.655 -0.419 1.00 0.00 C ATOM 1726 C THR 2 58 -4.255 -5.161 -0.656 1.00 0.00 C ATOM 1727 O THR 2 58 -4.327 -5.949 0.284 1.00 0.00 O ATOM 1728 CB THR 2 58 -5.761 -3.099 -0.807 1.00 0.00 C ATOM 1729 OG1 THR 2 58 -6.617 -3.513 0.256 1.00 0.00 O ATOM 1730 CG2 THR 2 58 -6.343 -3.785 -2.044 1.00 0.00 C ATOM 0 H THR 2 58 -3.750 -2.342 -1.922 1.00 0.00 H new ATOM 0 HA THR 2 58 -4.258 -3.514 0.654 1.00 0.00 H new ATOM 0 HB THR 2 58 -5.679 -2.028 -0.992 1.00 0.00 H new ATOM 0 HG1 THR 2 58 -7.528 -3.193 0.086 1.00 0.00 H new ATOM 0 HG21 THR 2 58 -7.316 -3.353 -2.276 1.00 0.00 H new ATOM 0 HG22 THR 2 58 -5.671 -3.641 -2.890 1.00 0.00 H new ATOM 0 HG23 THR 2 58 -6.457 -4.851 -1.849 1.00 0.00 H new ATOM 1738 N PHE 2 59 -4.063 -5.513 -1.918 1.00 0.00 N ATOM 1739 CA PHE 2 59 -3.918 -6.910 -2.292 1.00 0.00 C ATOM 1740 C PHE 2 59 -2.703 -7.538 -1.605 1.00 0.00 C ATOM 1741 O PHE 2 59 -2.086 -8.455 -2.143 1.00 0.00 O ATOM 1742 CB PHE 2 59 -3.708 -6.950 -3.806 1.00 0.00 C ATOM 1743 CG PHE 2 59 -5.004 -7.067 -4.611 1.00 0.00 C ATOM 1744 CD1 PHE 2 59 -5.941 -6.083 -4.538 1.00 0.00 C ATOM 1745 CD2 PHE 2 59 -5.219 -8.154 -5.399 1.00 0.00 C ATOM 1746 CE1 PHE 2 59 -7.143 -6.192 -5.286 1.00 0.00 C ATOM 1747 CE2 PHE 2 59 -6.421 -8.263 -6.147 1.00 0.00 C ATOM 1748 CZ PHE 2 59 -7.358 -7.279 -6.074 1.00 0.00 C ATOM 0 H PHE 2 59 -4.004 -4.855 -2.695 1.00 0.00 H new ATOM 0 HA PHE 2 59 -4.804 -7.469 -1.989 1.00 0.00 H new ATOM 0 HB2 PHE 2 59 -3.182 -6.046 -4.113 1.00 0.00 H new ATOM 0 HB3 PHE 2 59 -3.063 -7.794 -4.051 1.00 0.00 H new ATOM 0 HD1 PHE 2 59 -5.771 -5.220 -3.912 1.00 0.00 H new ATOM 0 HD2 PHE 2 59 -4.475 -8.935 -5.456 1.00 0.00 H new ATOM 0 HE1 PHE 2 59 -7.887 -5.411 -5.229 1.00 0.00 H new ATOM 0 HE2 PHE 2 59 -6.591 -9.126 -6.773 1.00 0.00 H new ATOM 0 HZ PHE 2 59 -8.273 -7.361 -6.642 1.00 0.00 H new