USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=14 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 180:sc= -0.674 USER MOD Single : 1 25 HIS : no HD1:sc= 0.065 K(o=0.065,f=-0.72) USER MOD Single : 1 27 THR OG1 : rot 180:sc=-0.00973 USER MOD Single : 1 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 32 ASN :FLIP amide:sc= -0.305 F(o=-2.2,f=-0.3) USER MOD Single : 1 33 ASN : amide:sc= -0.013 K(o=-0.013,f=-1.5) USER MOD Single : 1 37 CYS SG : rot 180:sc= -0.101 USER MOD Single : 1 40 SER OG : rot 117:sc= 0.242 USER MOD Single : 1 50 LYS NZ :NH3+ -153:sc= -1.01 (180deg=-1.83) USER MOD Single : 1 53 GLN : amide:sc= -11! C(o=-11!,f=-16!) USER MOD Single : 1 58 THR OG1 : rot -116:sc= -1.36 USER MOD Single : 2 23 TYR OH : rot -130:sc= -1.34 USER MOD Single : 2 25 HIS : no HD1:sc= -0.62 X(o=-0.62,f=-1) USER MOD Single : 2 27 THR OG1 : rot 180:sc= -0.0114 USER MOD Single : 2 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 2 32 ASN :FLIP amide:sc= -0.208 F(o=-1.6,f=-0.21) USER MOD Single : 2 33 ASN : amide:sc= -0.025 X(o=-0.025,f=-0.045) USER MOD Single : 2 37 CYS SG : rot 180:sc= -0.169 USER MOD Single : 2 40 SER OG : rot 180:sc= 0 USER MOD Single : 2 50 LYS NZ :NH3+ 157:sc= 1.26 (180deg=0.863) USER MOD Single : 2 53 GLN : amide:sc= -12.5! C(o=-13!,f=-19!) USER MOD Single : 2 58 THR OG1 : rot 180:sc= -2.32 USER MOD ----------------------------------------------------------------- ATOM 228 N ASP 1 17 1.822 -16.767 -1.790 1.00 0.00 N ATOM 229 CA ASP 1 17 0.837 -16.072 -2.602 1.00 0.00 C ATOM 230 C ASP 1 17 1.022 -14.563 -2.440 1.00 0.00 C ATOM 231 O ASP 1 17 0.132 -13.784 -2.780 1.00 0.00 O ATOM 232 CB ASP 1 17 -0.586 -16.424 -2.163 1.00 0.00 C ATOM 233 CG ASP 1 17 -1.680 -16.071 -3.173 1.00 0.00 C ATOM 234 OD1 ASP 1 17 -2.018 -14.870 -3.247 1.00 0.00 O ATOM 235 OD2 ASP 1 17 -2.154 -17.011 -3.848 1.00 0.00 O ATOM 0 HA ASP 1 17 0.980 -16.376 -3.639 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 -0.633 -17.494 -1.958 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 -0.798 -15.910 -1.225 1.00 0.00 H new ATOM 240 N ARG 1 18 2.184 -14.193 -1.921 1.00 0.00 N ATOM 241 CA ARG 1 18 2.497 -12.790 -1.709 1.00 0.00 C ATOM 242 C ARG 1 18 3.125 -12.191 -2.969 1.00 0.00 C ATOM 243 O ARG 1 18 3.415 -12.909 -3.924 1.00 0.00 O ATOM 244 CB ARG 1 18 3.459 -12.612 -0.533 1.00 0.00 C ATOM 245 CG ARG 1 18 2.914 -13.285 0.729 1.00 0.00 C ATOM 246 CD ARG 1 18 4.046 -13.892 1.559 1.00 0.00 C ATOM 247 NE ARG 1 18 3.546 -14.267 2.900 1.00 0.00 N ATOM 248 CZ ARG 1 18 4.334 -14.490 3.961 1.00 0.00 C ATOM 249 NH1 ARG 1 18 5.663 -14.376 3.844 1.00 0.00 N ATOM 250 NH2 ARG 1 18 3.792 -14.826 5.139 1.00 0.00 N ATOM 0 H ARG 1 18 2.920 -14.841 -1.641 1.00 0.00 H new ATOM 0 HA ARG 1 18 1.565 -12.272 -1.482 1.00 0.00 H new ATOM 0 HB2 ARG 1 18 4.430 -13.037 -0.786 1.00 0.00 H new ATOM 0 HB3 ARG 1 18 3.616 -11.550 -0.344 1.00 0.00 H new ATOM 0 HG2 ARG 1 18 2.370 -12.555 1.328 1.00 0.00 H new ATOM 0 HG3 ARG 1 18 2.203 -14.064 0.452 1.00 0.00 H new ATOM 0 HD2 ARG 1 18 4.448 -14.770 1.053 1.00 0.00 H new ATOM 0 HD3 ARG 1 18 4.863 -13.176 1.653 1.00 0.00 H new ATOM 0 HE ARG 1 18 2.538 -14.362 3.025 1.00 0.00 H new ATOM 0 HH11 ARG 1 18 6.076 -14.119 2.947 1.00 0.00 H new ATOM 0 HH12 ARG 1 18 6.262 -14.546 4.652 1.00 0.00 H new ATOM 0 HH21 ARG 1 18 2.780 -14.912 5.229 1.00 0.00 H new ATOM 0 HH22 ARG 1 18 4.392 -14.996 5.946 1.00 0.00 H new ATOM 264 N VAL 1 19 3.317 -10.881 -2.929 1.00 0.00 N ATOM 265 CA VAL 1 19 3.906 -10.176 -4.056 1.00 0.00 C ATOM 266 C VAL 1 19 5.378 -9.884 -3.756 1.00 0.00 C ATOM 267 O VAL 1 19 5.979 -9.007 -4.375 1.00 0.00 O ATOM 268 CB VAL 1 19 3.098 -8.915 -4.365 1.00 0.00 C ATOM 269 CG1 VAL 1 19 3.492 -8.330 -5.723 1.00 0.00 C ATOM 270 CG2 VAL 1 19 1.595 -9.198 -4.305 1.00 0.00 C ATOM 0 H VAL 1 19 3.075 -10.289 -2.134 1.00 0.00 H new ATOM 0 HA VAL 1 19 3.873 -10.795 -4.953 1.00 0.00 H new ATOM 0 HB VAL 1 19 3.330 -8.173 -3.601 1.00 0.00 H new ATOM 0 HG11 VAL 1 19 2.902 -7.434 -5.918 1.00 0.00 H new ATOM 0 HG12 VAL 1 19 4.551 -8.073 -5.715 1.00 0.00 H new ATOM 0 HG13 VAL 1 19 3.303 -9.066 -6.505 1.00 0.00 H new ATOM 0 HG21 VAL 1 19 1.044 -8.285 -4.529 1.00 0.00 H new ATOM 0 HG22 VAL 1 19 1.340 -9.964 -5.037 1.00 0.00 H new ATOM 0 HG23 VAL 1 19 1.330 -9.547 -3.307 1.00 0.00 H new ATOM 280 N ASP 1 20 5.916 -10.637 -2.808 1.00 0.00 N ATOM 281 CA ASP 1 20 7.307 -10.471 -2.419 1.00 0.00 C ATOM 282 C ASP 1 20 7.720 -9.013 -2.634 1.00 0.00 C ATOM 283 O ASP 1 20 8.254 -8.664 -3.685 1.00 0.00 O ATOM 284 CB ASP 1 20 8.226 -11.352 -3.268 1.00 0.00 C ATOM 285 CG ASP 1 20 9.653 -10.827 -3.434 1.00 0.00 C ATOM 286 OD1 ASP 1 20 10.394 -10.869 -2.428 1.00 0.00 O ATOM 287 OD2 ASP 1 20 9.970 -10.395 -4.562 1.00 0.00 O ATOM 0 H ASP 1 20 5.414 -11.364 -2.298 1.00 0.00 H new ATOM 0 HA ASP 1 20 7.401 -10.757 -1.371 1.00 0.00 H new ATOM 0 HB2 ASP 1 20 8.270 -12.344 -2.819 1.00 0.00 H new ATOM 0 HB3 ASP 1 20 7.781 -11.469 -4.256 1.00 0.00 H new ATOM 292 N CYS 1 21 7.458 -8.202 -1.620 1.00 0.00 N ATOM 293 CA CYS 1 21 7.796 -6.790 -1.683 1.00 0.00 C ATOM 294 C CYS 1 21 9.254 -6.666 -2.130 1.00 0.00 C ATOM 295 O CYS 1 21 9.606 -5.741 -2.862 1.00 0.00 O ATOM 296 CB CYS 1 21 7.547 -6.088 -0.347 1.00 0.00 C ATOM 297 SG CYS 1 21 6.747 -4.447 -0.481 1.00 0.00 S ATOM 0 H CYS 1 21 7.015 -8.496 -0.749 1.00 0.00 H new ATOM 0 HA CYS 1 21 7.151 -6.291 -2.406 1.00 0.00 H new ATOM 0 HB2 CYS 1 21 6.924 -6.731 0.275 1.00 0.00 H new ATOM 0 HB3 CYS 1 21 8.500 -5.971 0.169 1.00 0.00 H new ATOM 302 N GLY 1 22 10.063 -7.609 -1.671 1.00 0.00 N ATOM 303 CA GLY 1 22 11.475 -7.616 -2.015 1.00 0.00 C ATOM 304 C GLY 1 22 12.083 -6.220 -1.865 1.00 0.00 C ATOM 305 O GLY 1 22 12.580 -5.649 -2.834 1.00 0.00 O ATOM 0 H GLY 1 22 9.768 -8.374 -1.064 1.00 0.00 H new ATOM 0 HA2 GLY 1 22 12.006 -8.319 -1.373 1.00 0.00 H new ATOM 0 HA3 GLY 1 22 11.601 -7.963 -3.040 1.00 0.00 H new ATOM 309 N TYR 1 23 12.022 -5.711 -0.644 1.00 0.00 N ATOM 310 CA TYR 1 23 12.560 -4.392 -0.355 1.00 0.00 C ATOM 311 C TYR 1 23 14.025 -4.481 0.078 1.00 0.00 C ATOM 312 O TYR 1 23 14.428 -5.447 0.724 1.00 0.00 O ATOM 313 CB TYR 1 23 11.731 -3.843 0.806 1.00 0.00 C ATOM 314 CG TYR 1 23 10.863 -2.638 0.437 1.00 0.00 C ATOM 315 CD1 TYR 1 23 9.579 -2.829 -0.030 1.00 0.00 C ATOM 316 CD2 TYR 1 23 11.365 -1.359 0.570 1.00 0.00 C ATOM 317 CE1 TYR 1 23 8.762 -1.695 -0.379 1.00 0.00 C ATOM 318 CE2 TYR 1 23 10.548 -0.225 0.221 1.00 0.00 C ATOM 319 CZ TYR 1 23 9.288 -0.449 -0.236 1.00 0.00 C ATOM 320 OH TYR 1 23 8.517 0.622 -0.565 1.00 0.00 O ATOM 0 H TYR 1 23 11.608 -6.188 0.157 1.00 0.00 H new ATOM 0 HA TYR 1 23 12.513 -3.756 -1.239 1.00 0.00 H new ATOM 0 HB2 TYR 1 23 11.089 -4.637 1.188 1.00 0.00 H new ATOM 0 HB3 TYR 1 23 12.403 -3.559 1.616 1.00 0.00 H new ATOM 0 HD1 TYR 1 23 9.186 -3.830 -0.134 1.00 0.00 H new ATOM 0 HD2 TYR 1 23 12.370 -1.209 0.936 1.00 0.00 H new ATOM 0 HE1 TYR 1 23 7.755 -1.831 -0.746 1.00 0.00 H new ATOM 0 HE2 TYR 1 23 10.928 0.781 0.320 1.00 0.00 H new ATOM 0 HH TYR 1 23 9.022 1.448 -0.411 1.00 0.00 H new ATOM 330 N PRO 1 24 14.802 -3.432 -0.306 1.00 0.00 N ATOM 331 CA PRO 1 24 16.214 -3.383 0.036 1.00 0.00 C ATOM 332 C PRO 1 24 16.408 -3.031 1.511 1.00 0.00 C ATOM 333 O PRO 1 24 17.524 -3.091 2.025 1.00 0.00 O ATOM 334 CB PRO 1 24 16.810 -2.348 -0.905 1.00 0.00 C ATOM 335 CG PRO 1 24 15.639 -1.525 -1.416 1.00 0.00 C ATOM 336 CD PRO 1 24 14.359 -2.271 -1.072 1.00 0.00 C ATOM 0 HA PRO 1 24 16.711 -4.346 -0.085 1.00 0.00 H new ATOM 0 HB2 PRO 1 24 17.533 -1.718 -0.386 1.00 0.00 H new ATOM 0 HB3 PRO 1 24 17.339 -2.828 -1.729 1.00 0.00 H new ATOM 0 HG2 PRO 1 24 15.639 -0.536 -0.958 1.00 0.00 H new ATOM 0 HG3 PRO 1 24 15.717 -1.378 -2.493 1.00 0.00 H new ATOM 0 HD2 PRO 1 24 13.681 -1.647 -0.489 1.00 0.00 H new ATOM 0 HD3 PRO 1 24 13.822 -2.571 -1.972 1.00 0.00 H new ATOM 344 N HIS 1 25 15.306 -2.672 2.152 1.00 0.00 N ATOM 345 CA HIS 1 25 15.341 -2.311 3.559 1.00 0.00 C ATOM 346 C HIS 1 25 14.295 -3.124 4.324 1.00 0.00 C ATOM 347 O HIS 1 25 13.763 -2.664 5.335 1.00 0.00 O ATOM 348 CB HIS 1 25 15.166 -0.801 3.737 1.00 0.00 C ATOM 349 CG HIS 1 25 16.285 0.020 3.143 1.00 0.00 C ATOM 350 ND1 HIS 1 25 16.209 0.590 1.884 1.00 0.00 N ATOM 351 CD2 HIS 1 25 17.505 0.362 3.648 1.00 0.00 C ATOM 352 CE1 HIS 1 25 17.338 1.244 1.653 1.00 0.00 C ATOM 353 NE2 HIS 1 25 18.140 1.101 2.747 1.00 0.00 N ATOM 0 H HIS 1 25 14.382 -2.623 1.723 1.00 0.00 H new ATOM 0 HA HIS 1 25 16.317 -2.556 3.977 1.00 0.00 H new ATOM 0 HB2 HIS 1 25 14.224 -0.498 3.279 1.00 0.00 H new ATOM 0 HB3 HIS 1 25 15.090 -0.577 4.801 1.00 0.00 H new ATOM 0 HD2 HIS 1 25 17.889 0.079 4.617 1.00 0.00 H new ATOM 0 HE1 HIS 1 25 17.581 1.794 0.756 1.00 0.00 H new ATOM 0 HE2 HIS 1 25 19.074 1.497 2.855 1.00 0.00 H new ATOM 362 N VAL 1 26 14.029 -4.316 3.813 1.00 0.00 N ATOM 363 CA VAL 1 26 13.056 -5.198 4.435 1.00 0.00 C ATOM 364 C VAL 1 26 13.414 -5.385 5.911 1.00 0.00 C ATOM 365 O VAL 1 26 14.545 -5.742 6.239 1.00 0.00 O ATOM 366 CB VAL 1 26 12.978 -6.518 3.666 1.00 0.00 C ATOM 367 CG1 VAL 1 26 14.376 -7.033 3.318 1.00 0.00 C ATOM 368 CG2 VAL 1 26 12.188 -7.566 4.455 1.00 0.00 C ATOM 0 H VAL 1 26 14.471 -4.693 2.974 1.00 0.00 H new ATOM 0 HA VAL 1 26 12.060 -4.756 4.396 1.00 0.00 H new ATOM 0 HB VAL 1 26 12.448 -6.331 2.732 1.00 0.00 H new ATOM 0 HG11 VAL 1 26 14.292 -7.972 2.772 1.00 0.00 H new ATOM 0 HG12 VAL 1 26 14.891 -6.298 2.699 1.00 0.00 H new ATOM 0 HG13 VAL 1 26 14.942 -7.196 4.235 1.00 0.00 H new ATOM 0 HG21 VAL 1 26 12.147 -8.495 3.886 1.00 0.00 H new ATOM 0 HG22 VAL 1 26 12.678 -7.747 5.411 1.00 0.00 H new ATOM 0 HG23 VAL 1 26 11.175 -7.203 4.630 1.00 0.00 H new ATOM 378 N THR 1 27 12.428 -5.137 6.762 1.00 0.00 N ATOM 379 CA THR 1 27 12.626 -5.274 8.195 1.00 0.00 C ATOM 380 C THR 1 27 11.284 -5.208 8.926 1.00 0.00 C ATOM 381 O THR 1 27 10.326 -4.627 8.421 1.00 0.00 O ATOM 382 CB THR 1 27 13.615 -4.196 8.642 1.00 0.00 C ATOM 383 OG1 THR 1 27 14.682 -4.929 9.237 1.00 0.00 O ATOM 384 CG2 THR 1 27 13.070 -3.338 9.784 1.00 0.00 C ATOM 0 H THR 1 27 11.491 -4.842 6.487 1.00 0.00 H new ATOM 0 HA THR 1 27 13.050 -6.247 8.445 1.00 0.00 H new ATOM 0 HB THR 1 27 13.862 -3.557 7.794 1.00 0.00 H new ATOM 0 HG1 THR 1 27 15.370 -4.307 9.553 1.00 0.00 H new ATOM 0 HG21 THR 1 27 13.812 -2.589 10.062 1.00 0.00 H new ATOM 0 HG22 THR 1 27 12.156 -2.841 9.461 1.00 0.00 H new ATOM 0 HG23 THR 1 27 12.854 -3.972 10.644 1.00 0.00 H new ATOM 392 N PRO 1 28 11.258 -5.827 10.138 1.00 0.00 N ATOM 393 CA PRO 1 28 10.050 -5.844 10.944 1.00 0.00 C ATOM 394 C PRO 1 28 9.807 -4.481 11.597 1.00 0.00 C ATOM 395 O PRO 1 28 9.669 -4.389 12.816 1.00 0.00 O ATOM 396 CB PRO 1 28 10.267 -6.957 11.956 1.00 0.00 C ATOM 397 CG PRO 1 28 11.766 -7.211 11.981 1.00 0.00 C ATOM 398 CD PRO 1 28 12.375 -6.524 10.768 1.00 0.00 C ATOM 0 HA PRO 1 28 9.153 -6.031 10.353 1.00 0.00 H new ATOM 0 HB2 PRO 1 28 9.904 -6.665 12.941 1.00 0.00 H new ATOM 0 HB3 PRO 1 28 9.723 -7.857 11.669 1.00 0.00 H new ATOM 0 HG2 PRO 1 28 12.204 -6.822 12.900 1.00 0.00 H new ATOM 0 HG3 PRO 1 28 11.972 -8.281 11.958 1.00 0.00 H new ATOM 0 HD2 PRO 1 28 13.162 -5.828 11.060 1.00 0.00 H new ATOM 0 HD3 PRO 1 28 12.825 -7.247 10.088 1.00 0.00 H new ATOM 406 N LYS 1 29 9.763 -3.458 10.757 1.00 0.00 N ATOM 407 CA LYS 1 29 9.540 -2.104 11.236 1.00 0.00 C ATOM 408 C LYS 1 29 9.590 -1.134 10.054 1.00 0.00 C ATOM 409 O LYS 1 29 9.052 -0.031 10.129 1.00 0.00 O ATOM 410 CB LYS 1 29 10.527 -1.763 12.355 1.00 0.00 C ATOM 411 CG LYS 1 29 9.889 -0.826 13.383 1.00 0.00 C ATOM 412 CD LYS 1 29 9.880 -1.463 14.774 1.00 0.00 C ATOM 413 CE LYS 1 29 10.969 -0.855 15.661 1.00 0.00 C ATOM 414 NZ LYS 1 29 10.638 -1.045 17.091 1.00 0.00 N ATOM 0 H LYS 1 29 9.878 -3.539 9.747 1.00 0.00 H new ATOM 0 HA LYS 1 29 8.548 -2.015 11.679 1.00 0.00 H new ATOM 0 HB2 LYS 1 29 10.855 -2.679 12.847 1.00 0.00 H new ATOM 0 HB3 LYS 1 29 11.415 -1.293 11.931 1.00 0.00 H new ATOM 0 HG2 LYS 1 29 10.439 0.115 13.413 1.00 0.00 H new ATOM 0 HG3 LYS 1 29 8.869 -0.589 13.081 1.00 0.00 H new ATOM 0 HD2 LYS 1 29 8.905 -1.318 15.238 1.00 0.00 H new ATOM 0 HD3 LYS 1 29 10.035 -2.538 14.687 1.00 0.00 H new ATOM 0 HE2 LYS 1 29 11.929 -1.320 15.439 1.00 0.00 H new ATOM 0 HE3 LYS 1 29 11.072 0.208 15.444 1.00 0.00 H new ATOM 0 HZ1 LYS 1 29 11.387 -0.627 17.679 1.00 0.00 H new ATOM 0 HZ2 LYS 1 29 9.732 -0.580 17.302 1.00 0.00 H new ATOM 0 HZ3 LYS 1 29 10.562 -2.061 17.298 1.00 0.00 H new ATOM 428 N GLU 1 30 10.242 -1.580 8.991 1.00 0.00 N ATOM 429 CA GLU 1 30 10.369 -0.765 7.795 1.00 0.00 C ATOM 430 C GLU 1 30 9.330 -1.186 6.753 1.00 0.00 C ATOM 431 O GLU 1 30 8.646 -0.341 6.178 1.00 0.00 O ATOM 432 CB GLU 1 30 11.785 -0.849 7.222 1.00 0.00 C ATOM 433 CG GLU 1 30 12.620 0.362 7.644 1.00 0.00 C ATOM 434 CD GLU 1 30 13.383 0.078 8.940 1.00 0.00 C ATOM 435 OE1 GLU 1 30 14.056 -0.975 8.982 1.00 0.00 O ATOM 436 OE2 GLU 1 30 13.275 0.920 9.858 1.00 0.00 O ATOM 0 H GLU 1 30 10.688 -2.495 8.933 1.00 0.00 H new ATOM 0 HA GLU 1 30 10.183 0.274 8.066 1.00 0.00 H new ATOM 0 HB2 GLU 1 30 12.266 -1.765 7.565 1.00 0.00 H new ATOM 0 HB3 GLU 1 30 11.738 -0.902 6.134 1.00 0.00 H new ATOM 0 HG2 GLU 1 30 13.324 0.617 6.852 1.00 0.00 H new ATOM 0 HG3 GLU 1 30 11.970 1.226 7.782 1.00 0.00 H new ATOM 443 N CYS 1 31 9.247 -2.491 6.542 1.00 0.00 N ATOM 444 CA CYS 1 31 8.304 -3.034 5.578 1.00 0.00 C ATOM 445 C CYS 1 31 6.902 -2.551 5.954 1.00 0.00 C ATOM 446 O CYS 1 31 6.189 -1.996 5.120 1.00 0.00 O ATOM 447 CB CYS 1 31 8.382 -4.561 5.509 1.00 0.00 C ATOM 448 SG CYS 1 31 9.706 -5.213 4.428 1.00 0.00 S ATOM 0 H CYS 1 31 9.817 -3.188 7.021 1.00 0.00 H new ATOM 0 HA CYS 1 31 8.555 -2.677 4.579 1.00 0.00 H new ATOM 0 HB2 CYS 1 31 8.531 -4.949 6.517 1.00 0.00 H new ATOM 0 HB3 CYS 1 31 7.424 -4.944 5.158 1.00 0.00 H new ATOM 453 N ASN 1 32 6.549 -2.778 7.211 1.00 0.00 N ATOM 454 CA ASN 1 32 5.245 -2.374 7.708 1.00 0.00 C ATOM 455 C ASN 1 32 5.158 -0.846 7.711 1.00 0.00 C ATOM 456 O ASN 1 32 4.113 -0.281 8.031 1.00 0.00 O ATOM 457 CB ASN 1 32 5.025 -2.863 9.140 1.00 0.00 C ATOM 458 CG ASN 1 32 4.233 -4.173 9.156 1.00 0.00 C ATOM 459 OD1 ASN 1 32 4.811 -5.162 8.480 1.00 0.00 O flip ATOM 460 ND2 ASN 1 32 3.170 -4.279 9.745 1.00 0.00 N flip ATOM 0 H ASN 1 32 7.144 -3.237 7.900 1.00 0.00 H new ATOM 0 HA ASN 1 32 4.486 -2.810 7.059 1.00 0.00 H new ATOM 0 HB2 ASN 1 32 5.988 -3.010 9.630 1.00 0.00 H new ATOM 0 HB3 ASN 1 32 4.490 -2.103 9.710 1.00 0.00 H new ATOM 0 HD21 ASN 1 32 2.782 -3.479 10.245 1.00 0.00 H new ATOM 0 HD22 ASN 1 32 2.669 -5.168 9.737 1.00 0.00 H new ATOM 467 N ASN 1 33 6.269 -0.221 7.353 1.00 0.00 N ATOM 468 CA ASN 1 33 6.331 1.230 7.312 1.00 0.00 C ATOM 469 C ASN 1 33 6.305 1.695 5.854 1.00 0.00 C ATOM 470 O ASN 1 33 5.845 2.798 5.559 1.00 0.00 O ATOM 471 CB ASN 1 33 7.624 1.745 7.948 1.00 0.00 C ATOM 472 CG ASN 1 33 7.540 3.248 8.222 1.00 0.00 C ATOM 473 OD1 ASN 1 33 6.524 3.889 8.007 1.00 0.00 O ATOM 474 ND2 ASN 1 33 8.661 3.772 8.709 1.00 0.00 N ATOM 0 H ASN 1 33 7.134 -0.693 7.089 1.00 0.00 H new ATOM 0 HA ASN 1 33 5.477 1.620 7.865 1.00 0.00 H new ATOM 0 HB2 ASN 1 33 7.812 1.212 8.880 1.00 0.00 H new ATOM 0 HB3 ASN 1 33 8.466 1.539 7.287 1.00 0.00 H new ATOM 0 HD21 ASN 1 33 8.706 4.768 8.926 1.00 0.00 H new ATOM 0 HD22 ASN 1 33 9.476 3.178 8.865 1.00 0.00 H new ATOM 481 N ARG 1 34 6.802 0.832 4.981 1.00 0.00 N ATOM 482 CA ARG 1 34 6.841 1.141 3.562 1.00 0.00 C ATOM 483 C ARG 1 34 5.501 0.798 2.907 1.00 0.00 C ATOM 484 O ARG 1 34 5.164 1.336 1.854 1.00 0.00 O ATOM 485 CB ARG 1 34 7.958 0.366 2.860 1.00 0.00 C ATOM 486 CG ARG 1 34 9.217 0.313 3.727 1.00 0.00 C ATOM 487 CD ARG 1 34 10.453 0.722 2.923 1.00 0.00 C ATOM 488 NE ARG 1 34 11.359 1.535 3.767 1.00 0.00 N ATOM 489 CZ ARG 1 34 12.612 1.861 3.425 1.00 0.00 C ATOM 490 NH1 ARG 1 34 13.117 1.447 2.255 1.00 0.00 N ATOM 491 NH2 ARG 1 34 13.362 2.602 4.253 1.00 0.00 N ATOM 0 H ARG 1 34 7.181 -0.082 5.229 1.00 0.00 H new ATOM 0 HA ARG 1 34 7.036 2.209 3.460 1.00 0.00 H new ATOM 0 HB2 ARG 1 34 7.620 -0.647 2.641 1.00 0.00 H new ATOM 0 HB3 ARG 1 34 8.189 0.839 1.905 1.00 0.00 H new ATOM 0 HG2 ARG 1 34 9.101 0.976 4.585 1.00 0.00 H new ATOM 0 HG3 ARG 1 34 9.351 -0.695 4.119 1.00 0.00 H new ATOM 0 HD2 ARG 1 34 10.975 -0.166 2.565 1.00 0.00 H new ATOM 0 HD3 ARG 1 34 10.153 1.292 2.043 1.00 0.00 H new ATOM 0 HE ARG 1 34 11.006 1.867 4.665 1.00 0.00 H new ATOM 0 HH11 ARG 1 34 12.547 0.883 1.624 1.00 0.00 H new ATOM 0 HH12 ARG 1 34 14.071 1.696 1.995 1.00 0.00 H new ATOM 0 HH21 ARG 1 34 12.978 2.918 5.144 1.00 0.00 H new ATOM 0 HH22 ARG 1 34 14.316 2.850 3.992 1.00 0.00 H new ATOM 505 N GLY 1 35 4.774 -0.099 3.558 1.00 0.00 N ATOM 506 CA GLY 1 35 3.479 -0.521 3.051 1.00 0.00 C ATOM 507 C GLY 1 35 3.475 -2.018 2.735 1.00 0.00 C ATOM 508 O GLY 1 35 2.699 -2.478 1.898 1.00 0.00 O ATOM 0 H GLY 1 35 5.057 -0.545 4.431 1.00 0.00 H new ATOM 0 HA2 GLY 1 35 2.706 -0.299 3.787 1.00 0.00 H new ATOM 0 HA3 GLY 1 35 3.235 0.045 2.152 1.00 0.00 H new ATOM 512 N CYS 1 36 4.351 -2.737 3.421 1.00 0.00 N ATOM 513 CA CYS 1 36 4.458 -4.173 3.225 1.00 0.00 C ATOM 514 C CYS 1 36 4.179 -4.864 4.560 1.00 0.00 C ATOM 515 O CYS 1 36 3.882 -4.203 5.555 1.00 0.00 O ATOM 516 CB CYS 1 36 5.823 -4.565 2.653 1.00 0.00 C ATOM 517 SG CYS 1 36 6.354 -3.594 1.197 1.00 0.00 S ATOM 0 H CYS 1 36 4.993 -2.352 4.113 1.00 0.00 H new ATOM 0 HA CYS 1 36 3.722 -4.498 2.490 1.00 0.00 H new ATOM 0 HB2 CYS 1 36 6.573 -4.458 3.436 1.00 0.00 H new ATOM 0 HB3 CYS 1 36 5.797 -5.620 2.379 1.00 0.00 H new ATOM 522 N CYS 1 37 4.283 -6.185 4.541 1.00 0.00 N ATOM 523 CA CYS 1 37 4.045 -6.972 5.738 1.00 0.00 C ATOM 524 C CYS 1 37 5.228 -7.923 5.931 1.00 0.00 C ATOM 525 O CYS 1 37 5.541 -8.718 5.046 1.00 0.00 O ATOM 526 CB CYS 1 37 2.714 -7.723 5.666 1.00 0.00 C ATOM 527 SG CYS 1 37 1.952 -8.093 7.288 1.00 0.00 S ATOM 0 H CYS 1 37 4.529 -6.730 3.715 1.00 0.00 H new ATOM 0 HA CYS 1 37 3.967 -6.311 6.601 1.00 0.00 H new ATOM 0 HB2 CYS 1 37 2.012 -7.133 5.077 1.00 0.00 H new ATOM 0 HB3 CYS 1 37 2.870 -8.660 5.132 1.00 0.00 H new ATOM 0 HG CYS 1 37 0.832 -8.727 7.107 1.00 0.00 H new ATOM 532 N PHE 1 38 5.853 -7.810 7.093 1.00 0.00 N ATOM 533 CA PHE 1 38 6.995 -8.650 7.413 1.00 0.00 C ATOM 534 C PHE 1 38 6.546 -9.967 8.051 1.00 0.00 C ATOM 535 O PHE 1 38 5.875 -9.964 9.083 1.00 0.00 O ATOM 536 CB PHE 1 38 7.852 -7.878 8.418 1.00 0.00 C ATOM 537 CG PHE 1 38 9.179 -8.560 8.759 1.00 0.00 C ATOM 538 CD1 PHE 1 38 10.249 -8.417 7.933 1.00 0.00 C ATOM 539 CD2 PHE 1 38 9.285 -9.309 9.890 1.00 0.00 C ATOM 540 CE1 PHE 1 38 11.480 -9.050 8.251 1.00 0.00 C ATOM 541 CE2 PHE 1 38 10.517 -9.943 10.207 1.00 0.00 C ATOM 542 CZ PHE 1 38 11.587 -9.800 9.381 1.00 0.00 C ATOM 0 H PHE 1 38 5.591 -7.150 7.825 1.00 0.00 H new ATOM 0 HA PHE 1 38 7.548 -8.887 6.504 1.00 0.00 H new ATOM 0 HB2 PHE 1 38 8.058 -6.886 8.017 1.00 0.00 H new ATOM 0 HB3 PHE 1 38 7.281 -7.739 9.336 1.00 0.00 H new ATOM 0 HD1 PHE 1 38 10.163 -7.822 7.035 1.00 0.00 H new ATOM 0 HD2 PHE 1 38 8.434 -9.422 10.546 1.00 0.00 H new ATOM 0 HE1 PHE 1 38 12.331 -8.936 7.596 1.00 0.00 H new ATOM 0 HE2 PHE 1 38 10.603 -10.538 11.104 1.00 0.00 H new ATOM 0 HZ PHE 1 38 12.523 -10.282 9.622 1.00 0.00 H new ATOM 552 N ASP 1 39 6.933 -11.060 7.411 1.00 0.00 N ATOM 553 CA ASP 1 39 6.579 -12.381 7.904 1.00 0.00 C ATOM 554 C ASP 1 39 7.679 -12.884 8.839 1.00 0.00 C ATOM 555 O ASP 1 39 7.573 -12.750 10.057 1.00 0.00 O ATOM 556 CB ASP 1 39 6.443 -13.379 6.753 1.00 0.00 C ATOM 557 CG ASP 1 39 6.266 -14.838 7.179 1.00 0.00 C ATOM 558 OD1 ASP 1 39 5.187 -15.140 7.733 1.00 0.00 O ATOM 559 OD2 ASP 1 39 7.213 -15.618 6.943 1.00 0.00 O ATOM 0 H ASP 1 39 7.488 -11.059 6.555 1.00 0.00 H new ATOM 0 HA ASP 1 39 5.626 -12.302 8.427 1.00 0.00 H new ATOM 0 HB2 ASP 1 39 5.590 -13.089 6.140 1.00 0.00 H new ATOM 0 HB3 ASP 1 39 7.329 -13.305 6.122 1.00 0.00 H new ATOM 564 N SER 1 40 8.712 -13.452 8.235 1.00 0.00 N ATOM 565 CA SER 1 40 9.832 -13.976 8.999 1.00 0.00 C ATOM 566 C SER 1 40 9.565 -15.432 9.386 1.00 0.00 C ATOM 567 O SER 1 40 10.487 -16.159 9.753 1.00 0.00 O ATOM 568 CB SER 1 40 10.088 -13.133 10.249 1.00 0.00 C ATOM 569 OG SER 1 40 11.475 -13.058 10.568 1.00 0.00 O ATOM 0 H SER 1 40 8.797 -13.561 7.224 1.00 0.00 H new ATOM 0 HA SER 1 40 10.724 -13.930 8.374 1.00 0.00 H new ATOM 0 HB2 SER 1 40 9.697 -12.127 10.094 1.00 0.00 H new ATOM 0 HB3 SER 1 40 9.545 -13.560 11.092 1.00 0.00 H new ATOM 0 HG SER 1 40 11.777 -12.129 10.496 1.00 0.00 H new ATOM 575 N ARG 1 41 8.300 -15.814 9.292 1.00 0.00 N ATOM 576 CA ARG 1 41 7.900 -17.170 9.628 1.00 0.00 C ATOM 577 C ARG 1 41 8.615 -18.173 8.721 1.00 0.00 C ATOM 578 O ARG 1 41 9.102 -19.201 9.189 1.00 0.00 O ATOM 579 CB ARG 1 41 6.388 -17.349 9.485 1.00 0.00 C ATOM 580 CG ARG 1 41 5.633 -16.431 10.447 1.00 0.00 C ATOM 581 CD ARG 1 41 4.381 -17.120 10.995 1.00 0.00 C ATOM 582 NE ARG 1 41 4.755 -18.079 12.058 1.00 0.00 N ATOM 583 CZ ARG 1 41 5.049 -17.727 13.318 1.00 0.00 C ATOM 584 NH1 ARG 1 41 5.015 -16.437 13.678 1.00 0.00 N ATOM 585 NH2 ARG 1 41 5.379 -18.666 14.216 1.00 0.00 N ATOM 0 H ARG 1 41 7.538 -15.208 8.988 1.00 0.00 H new ATOM 0 HA ARG 1 41 8.178 -17.351 10.666 1.00 0.00 H new ATOM 0 HB2 ARG 1 41 6.088 -17.132 8.460 1.00 0.00 H new ATOM 0 HB3 ARG 1 41 6.121 -18.387 9.683 1.00 0.00 H new ATOM 0 HG2 ARG 1 41 6.286 -16.147 11.272 1.00 0.00 H new ATOM 0 HG3 ARG 1 41 5.351 -15.512 9.933 1.00 0.00 H new ATOM 0 HD2 ARG 1 41 3.691 -16.376 11.392 1.00 0.00 H new ATOM 0 HD3 ARG 1 41 3.861 -17.640 10.191 1.00 0.00 H new ATOM 0 HE ARG 1 41 4.791 -19.070 11.817 1.00 0.00 H new ATOM 0 HH11 ARG 1 41 4.765 -15.723 12.994 1.00 0.00 H new ATOM 0 HH12 ARG 1 41 5.239 -16.169 14.636 1.00 0.00 H new ATOM 0 HH21 ARG 1 41 5.406 -19.648 13.941 1.00 0.00 H new ATOM 0 HH22 ARG 1 41 5.603 -18.399 15.175 1.00 0.00 H new ATOM 599 N ILE 1 42 8.653 -17.841 7.439 1.00 0.00 N ATOM 600 CA ILE 1 42 9.300 -18.701 6.462 1.00 0.00 C ATOM 601 C ILE 1 42 10.420 -17.924 5.767 1.00 0.00 C ATOM 602 O ILE 1 42 10.157 -16.975 5.031 1.00 0.00 O ATOM 603 CB ILE 1 42 8.267 -19.287 5.497 1.00 0.00 C ATOM 604 CG1 ILE 1 42 6.880 -19.336 6.142 1.00 0.00 C ATOM 605 CG2 ILE 1 42 8.711 -20.658 4.985 1.00 0.00 C ATOM 606 CD1 ILE 1 42 5.907 -20.150 5.286 1.00 0.00 C ATOM 0 H ILE 1 42 8.246 -16.988 7.054 1.00 0.00 H new ATOM 0 HA ILE 1 42 9.763 -19.556 6.954 1.00 0.00 H new ATOM 0 HB ILE 1 42 8.196 -18.629 4.631 1.00 0.00 H new ATOM 0 HG12 ILE 1 42 6.952 -19.777 7.136 1.00 0.00 H new ATOM 0 HG13 ILE 1 42 6.498 -18.323 6.270 1.00 0.00 H new ATOM 0 HG21 ILE 1 42 7.959 -21.052 4.301 1.00 0.00 H new ATOM 0 HG22 ILE 1 42 9.662 -20.560 4.461 1.00 0.00 H new ATOM 0 HG23 ILE 1 42 8.829 -21.340 5.827 1.00 0.00 H new ATOM 0 HD11 ILE 1 42 4.929 -20.170 5.766 1.00 0.00 H new ATOM 0 HD12 ILE 1 42 5.819 -19.692 4.301 1.00 0.00 H new ATOM 0 HD13 ILE 1 42 6.280 -21.169 5.181 1.00 0.00 H new ATOM 618 N PRO 1 43 11.678 -18.369 6.034 1.00 0.00 N ATOM 619 CA PRO 1 43 12.839 -17.726 5.442 1.00 0.00 C ATOM 620 C PRO 1 43 12.981 -18.102 3.966 1.00 0.00 C ATOM 621 O PRO 1 43 13.829 -17.555 3.261 1.00 0.00 O ATOM 622 CB PRO 1 43 14.016 -18.184 6.288 1.00 0.00 C ATOM 623 CG PRO 1 43 13.540 -19.424 7.026 1.00 0.00 C ATOM 624 CD PRO 1 43 12.026 -19.490 6.901 1.00 0.00 C ATOM 0 HA PRO 1 43 12.764 -16.639 5.443 1.00 0.00 H new ATOM 0 HB2 PRO 1 43 14.881 -18.409 5.664 1.00 0.00 H new ATOM 0 HB3 PRO 1 43 14.321 -17.406 6.988 1.00 0.00 H new ATOM 0 HG2 PRO 1 43 13.997 -20.319 6.603 1.00 0.00 H new ATOM 0 HG3 PRO 1 43 13.835 -19.381 8.074 1.00 0.00 H new ATOM 0 HD2 PRO 1 43 11.705 -20.438 6.470 1.00 0.00 H new ATOM 0 HD3 PRO 1 43 11.544 -19.402 7.875 1.00 0.00 H new ATOM 632 N GLY 1 44 12.139 -19.031 3.541 1.00 0.00 N ATOM 633 CA GLY 1 44 12.160 -19.486 2.161 1.00 0.00 C ATOM 634 C GLY 1 44 11.158 -18.703 1.310 1.00 0.00 C ATOM 635 O GLY 1 44 11.095 -18.884 0.095 1.00 0.00 O ATOM 0 H GLY 1 44 11.437 -19.482 4.128 1.00 0.00 H new ATOM 0 HA2 GLY 1 44 13.163 -19.367 1.750 1.00 0.00 H new ATOM 0 HA3 GLY 1 44 11.924 -20.549 2.121 1.00 0.00 H new ATOM 639 N VAL 1 45 10.399 -17.849 1.982 1.00 0.00 N ATOM 640 CA VAL 1 45 9.404 -17.038 1.303 1.00 0.00 C ATOM 641 C VAL 1 45 9.720 -15.557 1.526 1.00 0.00 C ATOM 642 O VAL 1 45 10.709 -15.221 2.176 1.00 0.00 O ATOM 643 CB VAL 1 45 8.001 -17.427 1.774 1.00 0.00 C ATOM 644 CG1 VAL 1 45 7.902 -18.935 2.011 1.00 0.00 C ATOM 645 CG2 VAL 1 45 7.608 -16.647 3.029 1.00 0.00 C ATOM 0 H VAL 1 45 10.454 -17.702 2.990 1.00 0.00 H new ATOM 0 HA VAL 1 45 9.433 -17.219 0.228 1.00 0.00 H new ATOM 0 HB VAL 1 45 7.297 -17.165 0.984 1.00 0.00 H new ATOM 0 HG11 VAL 1 45 6.895 -19.185 2.345 1.00 0.00 H new ATOM 0 HG12 VAL 1 45 8.119 -19.464 1.083 1.00 0.00 H new ATOM 0 HG13 VAL 1 45 8.622 -19.231 2.774 1.00 0.00 H new ATOM 0 HG21 VAL 1 45 6.607 -16.943 3.342 1.00 0.00 H new ATOM 0 HG22 VAL 1 45 8.317 -16.863 3.828 1.00 0.00 H new ATOM 0 HG23 VAL 1 45 7.620 -15.579 2.812 1.00 0.00 H new ATOM 655 N PRO 1 46 8.839 -14.689 0.960 1.00 0.00 N ATOM 656 CA PRO 1 46 9.013 -13.253 1.091 1.00 0.00 C ATOM 657 C PRO 1 46 8.632 -12.780 2.495 1.00 0.00 C ATOM 658 O PRO 1 46 7.477 -12.901 2.901 1.00 0.00 O ATOM 659 CB PRO 1 46 8.141 -12.650 0.002 1.00 0.00 C ATOM 660 CG PRO 1 46 7.156 -13.738 -0.393 1.00 0.00 C ATOM 661 CD PRO 1 46 7.657 -15.052 0.183 1.00 0.00 C ATOM 0 HA PRO 1 46 10.050 -12.942 0.969 1.00 0.00 H new ATOM 0 HB2 PRO 1 46 7.620 -11.764 0.365 1.00 0.00 H new ATOM 0 HB3 PRO 1 46 8.742 -12.339 -0.852 1.00 0.00 H new ATOM 0 HG2 PRO 1 46 6.161 -13.509 -0.012 1.00 0.00 H new ATOM 0 HG3 PRO 1 46 7.074 -13.803 -1.478 1.00 0.00 H new ATOM 0 HD2 PRO 1 46 6.900 -15.524 0.810 1.00 0.00 H new ATOM 0 HD3 PRO 1 46 7.905 -15.762 -0.606 1.00 0.00 H new ATOM 669 N TRP 1 47 9.623 -12.252 3.197 1.00 0.00 N ATOM 670 CA TRP 1 47 9.405 -11.760 4.547 1.00 0.00 C ATOM 671 C TRP 1 47 9.016 -10.283 4.455 1.00 0.00 C ATOM 672 O TRP 1 47 9.266 -9.513 5.380 1.00 0.00 O ATOM 673 CB TRP 1 47 10.635 -12.000 5.423 1.00 0.00 C ATOM 674 CG TRP 1 47 11.679 -12.924 4.791 1.00 0.00 C ATOM 675 CD1 TRP 1 47 11.642 -14.259 4.687 1.00 0.00 C ATOM 676 CD2 TRP 1 47 12.923 -12.524 4.178 1.00 0.00 C ATOM 677 NE1 TRP 1 47 12.768 -14.748 4.053 1.00 0.00 N ATOM 678 CE2 TRP 1 47 13.569 -13.658 3.733 1.00 0.00 C ATOM 679 CE3 TRP 1 47 13.481 -11.246 4.004 1.00 0.00 C ATOM 680 CZ2 TRP 1 47 14.811 -13.629 3.086 1.00 0.00 C ATOM 681 CZ3 TRP 1 47 14.721 -11.233 3.356 1.00 0.00 C ATOM 682 CH2 TRP 1 47 15.387 -12.366 2.902 1.00 0.00 C ATOM 0 H TRP 1 47 10.580 -12.154 2.857 1.00 0.00 H new ATOM 0 HA TRP 1 47 8.593 -12.305 5.029 1.00 0.00 H new ATOM 0 HB2 TRP 1 47 11.102 -11.041 5.647 1.00 0.00 H new ATOM 0 HB3 TRP 1 47 10.314 -12.427 6.373 1.00 0.00 H new ATOM 0 HD1 TRP 1 47 10.834 -14.875 5.053 1.00 0.00 H new ATOM 0 HE1 TRP 1 47 12.973 -15.728 3.856 1.00 0.00 H new ATOM 0 HE3 TRP 1 47 12.991 -10.345 4.344 1.00 0.00 H new ATOM 0 HZ2 TRP 1 47 15.298 -14.532 2.747 1.00 0.00 H new ATOM 0 HZ3 TRP 1 47 15.194 -10.275 3.197 1.00 0.00 H new ATOM 0 HH2 TRP 1 47 16.344 -12.272 2.410 1.00 0.00 H new ATOM 693 N CYS 1 48 8.410 -9.932 3.330 1.00 0.00 N ATOM 694 CA CYS 1 48 7.984 -8.562 3.105 1.00 0.00 C ATOM 695 C CYS 1 48 7.129 -8.526 1.837 1.00 0.00 C ATOM 696 O CYS 1 48 7.641 -8.714 0.734 1.00 0.00 O ATOM 697 CB CYS 1 48 9.176 -7.606 3.016 1.00 0.00 C ATOM 698 SG CYS 1 48 8.732 -5.838 2.857 1.00 0.00 S ATOM 0 H CYS 1 48 8.204 -10.574 2.564 1.00 0.00 H new ATOM 0 HA CYS 1 48 7.390 -8.220 3.953 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 9.792 -7.733 3.906 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 9.789 -7.891 2.161 1.00 0.00 H new ATOM 703 N PHE 1 49 5.842 -8.283 2.036 1.00 0.00 N ATOM 704 CA PHE 1 49 4.910 -8.221 0.922 1.00 0.00 C ATOM 705 C PHE 1 49 3.771 -7.243 1.215 1.00 0.00 C ATOM 706 O PHE 1 49 3.819 -6.504 2.197 1.00 0.00 O ATOM 707 CB PHE 1 49 4.330 -9.625 0.745 1.00 0.00 C ATOM 708 CG PHE 1 49 4.213 -10.419 2.048 1.00 0.00 C ATOM 709 CD1 PHE 1 49 5.335 -10.879 2.666 1.00 0.00 C ATOM 710 CD2 PHE 1 49 2.990 -10.665 2.588 1.00 0.00 C ATOM 711 CE1 PHE 1 49 5.227 -11.616 3.875 1.00 0.00 C ATOM 712 CE2 PHE 1 49 2.882 -11.402 3.797 1.00 0.00 C ATOM 713 CZ PHE 1 49 4.004 -11.862 4.415 1.00 0.00 C ATOM 0 H PHE 1 49 5.422 -8.127 2.952 1.00 0.00 H new ATOM 0 HA PHE 1 49 5.425 -7.878 0.024 1.00 0.00 H new ATOM 0 HB2 PHE 1 49 3.342 -9.544 0.291 1.00 0.00 H new ATOM 0 HB3 PHE 1 49 4.957 -10.181 0.048 1.00 0.00 H new ATOM 0 HD1 PHE 1 49 6.307 -10.684 2.237 1.00 0.00 H new ATOM 0 HD2 PHE 1 49 2.100 -10.300 2.097 1.00 0.00 H new ATOM 0 HE1 PHE 1 49 6.117 -11.981 4.366 1.00 0.00 H new ATOM 0 HE2 PHE 1 49 1.910 -11.597 4.226 1.00 0.00 H new ATOM 0 HZ PHE 1 49 3.923 -12.423 5.335 1.00 0.00 H new ATOM 723 N LYS 1 50 2.772 -7.271 0.345 1.00 0.00 N ATOM 724 CA LYS 1 50 1.622 -6.397 0.497 1.00 0.00 C ATOM 725 C LYS 1 50 0.358 -7.246 0.655 1.00 0.00 C ATOM 726 O LYS 1 50 -0.467 -7.311 -0.254 1.00 0.00 O ATOM 727 CB LYS 1 50 1.551 -5.397 -0.659 1.00 0.00 C ATOM 728 CG LYS 1 50 2.477 -5.817 -1.803 1.00 0.00 C ATOM 729 CD LYS 1 50 3.888 -5.262 -1.596 1.00 0.00 C ATOM 730 CE LYS 1 50 3.853 -3.754 -1.339 1.00 0.00 C ATOM 731 NZ LYS 1 50 2.813 -3.111 -2.173 1.00 0.00 N ATOM 0 H LYS 1 50 2.736 -7.886 -0.468 1.00 0.00 H new ATOM 0 HA LYS 1 50 1.718 -5.796 1.401 1.00 0.00 H new ATOM 0 HB2 LYS 1 50 0.526 -5.328 -1.023 1.00 0.00 H new ATOM 0 HB3 LYS 1 50 1.831 -4.405 -0.305 1.00 0.00 H new ATOM 0 HG2 LYS 1 50 2.515 -6.905 -1.864 1.00 0.00 H new ATOM 0 HG3 LYS 1 50 2.076 -5.458 -2.751 1.00 0.00 H new ATOM 0 HD2 LYS 1 50 4.361 -5.767 -0.754 1.00 0.00 H new ATOM 0 HD3 LYS 1 50 4.497 -5.470 -2.476 1.00 0.00 H new ATOM 0 HE2 LYS 1 50 3.652 -3.563 -0.285 1.00 0.00 H new ATOM 0 HE3 LYS 1 50 4.827 -3.318 -1.562 1.00 0.00 H new ATOM 0 HZ1 LYS 1 50 3.075 -2.121 -2.353 1.00 0.00 H new ATOM 0 HZ2 LYS 1 50 2.732 -3.617 -3.078 1.00 0.00 H new ATOM 0 HZ3 LYS 1 50 1.900 -3.143 -1.675 1.00 0.00 H new ATOM 745 N PRO 1 51 0.245 -7.892 1.847 1.00 0.00 N ATOM 746 CA PRO 1 51 -0.903 -8.734 2.135 1.00 0.00 C ATOM 747 C PRO 1 51 -2.142 -7.888 2.436 1.00 0.00 C ATOM 748 O PRO 1 51 -2.825 -7.432 1.521 1.00 0.00 O ATOM 749 CB PRO 1 51 -0.473 -9.597 3.310 1.00 0.00 C ATOM 750 CG PRO 1 51 0.720 -8.890 3.931 1.00 0.00 C ATOM 751 CD PRO 1 51 1.203 -7.837 2.946 1.00 0.00 C ATOM 0 HA PRO 1 51 -1.193 -9.355 1.287 1.00 0.00 H new ATOM 0 HB2 PRO 1 51 -1.282 -9.705 4.032 1.00 0.00 H new ATOM 0 HB3 PRO 1 51 -0.204 -10.600 2.980 1.00 0.00 H new ATOM 0 HG2 PRO 1 51 0.439 -8.427 4.877 1.00 0.00 H new ATOM 0 HG3 PRO 1 51 1.515 -9.603 4.148 1.00 0.00 H new ATOM 0 HD2 PRO 1 51 1.225 -6.848 3.403 1.00 0.00 H new ATOM 0 HD3 PRO 1 51 2.214 -8.052 2.601 1.00 0.00 H new ATOM 759 N LEU 1 52 -2.393 -7.702 3.724 1.00 0.00 N ATOM 760 CA LEU 1 52 -3.537 -6.918 4.158 1.00 0.00 C ATOM 761 C LEU 1 52 -3.103 -5.468 4.377 1.00 0.00 C ATOM 762 O LEU 1 52 -3.638 -4.780 5.246 1.00 0.00 O ATOM 763 CB LEU 1 52 -4.190 -7.558 5.385 1.00 0.00 C ATOM 764 CG LEU 1 52 -3.690 -7.065 6.744 1.00 0.00 C ATOM 765 CD1 LEU 1 52 -4.794 -6.325 7.500 1.00 0.00 C ATOM 766 CD2 LEU 1 52 -3.106 -8.217 7.564 1.00 0.00 C ATOM 0 H LEU 1 52 -1.824 -8.081 4.481 1.00 0.00 H new ATOM 0 HA LEU 1 52 -4.306 -6.907 3.386 1.00 0.00 H new ATOM 0 HB2 LEU 1 52 -5.265 -7.386 5.331 1.00 0.00 H new ATOM 0 HB3 LEU 1 52 -4.037 -8.636 5.333 1.00 0.00 H new ATOM 0 HG LEU 1 52 -2.884 -6.351 6.573 1.00 0.00 H new ATOM 0 HD11 LEU 1 52 -4.411 -5.986 8.462 1.00 0.00 H new ATOM 0 HD12 LEU 1 52 -5.121 -5.465 6.916 1.00 0.00 H new ATOM 0 HD13 LEU 1 52 -5.637 -6.996 7.661 1.00 0.00 H new ATOM 0 HD21 LEU 1 52 -2.758 -7.839 8.525 1.00 0.00 H new ATOM 0 HD22 LEU 1 52 -3.874 -8.973 7.728 1.00 0.00 H new ATOM 0 HD23 LEU 1 52 -2.269 -8.661 7.024 1.00 0.00 H new ATOM 778 N GLN 1 53 -2.137 -5.045 3.575 1.00 0.00 N ATOM 779 CA GLN 1 53 -1.624 -3.689 3.672 1.00 0.00 C ATOM 780 C GLN 1 53 -2.771 -2.681 3.577 1.00 0.00 C ATOM 781 O GLN 1 53 -2.629 -1.533 3.997 1.00 0.00 O ATOM 782 CB GLN 1 53 -0.571 -3.423 2.594 1.00 0.00 C ATOM 783 CG GLN 1 53 0.633 -4.352 2.765 1.00 0.00 C ATOM 784 CD GLN 1 53 1.249 -4.202 4.158 1.00 0.00 C ATOM 785 OE1 GLN 1 53 2.005 -3.287 4.436 1.00 0.00 O ATOM 786 NE2 GLN 1 53 0.882 -5.150 5.015 1.00 0.00 N ATOM 0 H GLN 1 53 -1.696 -5.617 2.855 1.00 0.00 H new ATOM 0 HA GLN 1 53 -1.141 -3.572 4.642 1.00 0.00 H new ATOM 0 HB2 GLN 1 53 -1.010 -3.569 1.607 1.00 0.00 H new ATOM 0 HB3 GLN 1 53 -0.244 -2.384 2.647 1.00 0.00 H new ATOM 0 HG2 GLN 1 53 0.324 -5.386 2.610 1.00 0.00 H new ATOM 0 HG3 GLN 1 53 1.382 -4.126 2.006 1.00 0.00 H new ATOM 0 HE21 GLN 1 53 0.245 -5.888 4.716 1.00 0.00 H new ATOM 0 HE22 GLN 1 53 1.238 -5.139 5.971 1.00 0.00 H new ATOM 795 N GLU 1 54 -3.881 -3.145 3.022 1.00 0.00 N ATOM 796 CA GLU 1 54 -5.052 -2.297 2.867 1.00 0.00 C ATOM 797 C GLU 1 54 -5.250 -1.434 4.114 1.00 0.00 C ATOM 798 O GLU 1 54 -5.829 -0.350 4.038 1.00 0.00 O ATOM 799 CB GLU 1 54 -6.299 -3.134 2.577 1.00 0.00 C ATOM 800 CG GLU 1 54 -6.979 -3.575 3.874 1.00 0.00 C ATOM 801 CD GLU 1 54 -8.139 -2.642 4.229 1.00 0.00 C ATOM 802 OE1 GLU 1 54 -7.962 -1.420 4.040 1.00 0.00 O ATOM 803 OE2 GLU 1 54 -9.176 -3.174 4.682 1.00 0.00 O ATOM 0 H GLU 1 54 -3.995 -4.097 2.674 1.00 0.00 H new ATOM 0 HA GLU 1 54 -4.890 -1.638 2.014 1.00 0.00 H new ATOM 0 HB2 GLU 1 54 -6.998 -2.554 1.975 1.00 0.00 H new ATOM 0 HB3 GLU 1 54 -6.024 -4.011 1.990 1.00 0.00 H new ATOM 0 HG2 GLU 1 54 -7.348 -4.595 3.767 1.00 0.00 H new ATOM 0 HG3 GLU 1 54 -6.252 -3.582 4.686 1.00 0.00 H new ATOM 810 N ALA 1 55 -4.757 -1.943 5.233 1.00 0.00 N ATOM 811 CA ALA 1 55 -4.874 -1.232 6.495 1.00 0.00 C ATOM 812 C ALA 1 55 -4.689 0.267 6.249 1.00 0.00 C ATOM 813 O ALA 1 55 -5.655 1.028 6.284 1.00 0.00 O ATOM 814 CB ALA 1 55 -3.855 -1.788 7.491 1.00 0.00 C ATOM 0 H ALA 1 55 -4.275 -2.840 5.292 1.00 0.00 H new ATOM 0 HA ALA 1 55 -5.864 -1.377 6.927 1.00 0.00 H new ATOM 0 HB1 ALA 1 55 -3.943 -1.255 8.437 1.00 0.00 H new ATOM 0 HB2 ALA 1 55 -4.046 -2.849 7.653 1.00 0.00 H new ATOM 0 HB3 ALA 1 55 -2.849 -1.657 7.093 1.00 0.00 H new ATOM 820 N GLU 1 56 -3.444 0.645 6.004 1.00 0.00 N ATOM 821 CA GLU 1 56 -3.120 2.040 5.751 1.00 0.00 C ATOM 822 C GLU 1 56 -2.368 2.179 4.427 1.00 0.00 C ATOM 823 O GLU 1 56 -1.630 3.143 4.226 1.00 0.00 O ATOM 824 CB GLU 1 56 -2.313 2.634 6.907 1.00 0.00 C ATOM 825 CG GLU 1 56 -2.904 3.970 7.360 1.00 0.00 C ATOM 826 CD GLU 1 56 -3.350 3.905 8.822 1.00 0.00 C ATOM 827 OE1 GLU 1 56 -2.555 3.387 9.636 1.00 0.00 O ATOM 828 OE2 GLU 1 56 -4.476 4.374 9.093 1.00 0.00 O ATOM 0 H GLU 1 56 -2.646 0.010 5.975 1.00 0.00 H new ATOM 0 HA GLU 1 56 -4.051 2.601 5.677 1.00 0.00 H new ATOM 0 HB2 GLU 1 56 -2.301 1.935 7.744 1.00 0.00 H new ATOM 0 HB3 GLU 1 56 -1.278 2.777 6.597 1.00 0.00 H new ATOM 0 HG2 GLU 1 56 -2.163 4.760 7.237 1.00 0.00 H new ATOM 0 HG3 GLU 1 56 -3.754 4.229 6.728 1.00 0.00 H new ATOM 835 N CYS 1 57 -2.579 1.202 3.557 1.00 0.00 N ATOM 836 CA CYS 1 57 -1.928 1.203 2.258 1.00 0.00 C ATOM 837 C CYS 1 57 -2.970 1.569 1.200 1.00 0.00 C ATOM 838 O CYS 1 57 -2.746 2.465 0.387 1.00 0.00 O ATOM 839 CB CYS 1 57 -1.258 -0.140 1.960 1.00 0.00 C ATOM 840 SG CYS 1 57 0.217 -0.039 0.882 1.00 0.00 S ATOM 0 H CYS 1 57 -3.192 0.404 3.726 1.00 0.00 H new ATOM 0 HA CYS 1 57 -1.128 1.943 2.249 1.00 0.00 H new ATOM 0 HB2 CYS 1 57 -0.970 -0.604 2.903 1.00 0.00 H new ATOM 0 HB3 CYS 1 57 -1.989 -0.799 1.491 1.00 0.00 H new ATOM 845 N THR 1 58 -4.087 0.858 1.244 1.00 0.00 N ATOM 846 CA THR 1 58 -5.164 1.097 0.299 1.00 0.00 C ATOM 847 C THR 1 58 -6.068 2.227 0.796 1.00 0.00 C ATOM 848 O THR 1 58 -6.545 3.039 0.003 1.00 0.00 O ATOM 849 CB THR 1 58 -5.906 -0.223 0.084 1.00 0.00 C ATOM 850 OG1 THR 1 58 -6.485 -0.090 -1.212 1.00 0.00 O ATOM 851 CG2 THR 1 58 -7.110 -0.378 1.015 1.00 0.00 C ATOM 0 H THR 1 58 -4.269 0.116 1.920 1.00 0.00 H new ATOM 0 HA THR 1 58 -4.778 1.431 -0.664 1.00 0.00 H new ATOM 0 HB THR 1 58 -5.218 -1.054 0.239 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -7.462 -0.102 -1.137 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -7.600 -1.332 0.820 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -6.775 -0.347 2.052 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -7.814 0.435 0.837 1.00 0.00 H new ATOM 859 N PHE 1 59 -6.277 2.245 2.104 1.00 0.00 N ATOM 860 CA PHE 1 59 -7.114 3.262 2.715 1.00 0.00 C ATOM 861 C PHE 1 59 -7.001 4.590 1.963 1.00 0.00 C ATOM 862 O PHE 1 59 -7.989 5.090 1.427 1.00 0.00 O ATOM 863 CB PHE 1 59 -6.611 3.456 4.146 1.00 0.00 C ATOM 864 CG PHE 1 59 -7.651 4.054 5.096 1.00 0.00 C ATOM 865 CD1 PHE 1 59 -8.901 3.522 5.157 1.00 0.00 C ATOM 866 CD2 PHE 1 59 -7.324 5.115 5.880 1.00 0.00 C ATOM 867 CE1 PHE 1 59 -9.866 4.078 6.039 1.00 0.00 C ATOM 868 CE2 PHE 1 59 -8.289 5.671 6.762 1.00 0.00 C ATOM 869 CZ PHE 1 59 -9.540 5.140 6.823 1.00 0.00 C ATOM 0 H PHE 1 59 -5.880 1.570 2.758 1.00 0.00 H new ATOM 0 HA PHE 1 59 -8.158 2.948 2.690 1.00 0.00 H new ATOM 0 HB2 PHE 1 59 -6.286 2.493 4.540 1.00 0.00 H new ATOM 0 HB3 PHE 1 59 -5.735 4.105 4.128 1.00 0.00 H new ATOM 0 HD1 PHE 1 59 -9.160 2.678 4.535 1.00 0.00 H new ATOM 0 HD2 PHE 1 59 -6.330 5.535 5.832 1.00 0.00 H new ATOM 0 HE1 PHE 1 59 -10.859 3.657 6.087 1.00 0.00 H new ATOM 0 HE2 PHE 1 59 -8.030 6.515 7.384 1.00 0.00 H new ATOM 0 HZ PHE 1 59 -10.274 5.562 7.494 1.00 0.00 H new ATOM 1107 N ASP 2 17 -9.132 14.957 -0.316 1.00 0.00 N ATOM 1108 CA ASP 2 17 -9.873 13.822 0.204 1.00 0.00 C ATOM 1109 C ASP 2 17 -8.912 12.654 0.440 1.00 0.00 C ATOM 1110 O ASP 2 17 -9.344 11.526 0.668 1.00 0.00 O ATOM 1111 CB ASP 2 17 -10.942 13.360 -0.789 1.00 0.00 C ATOM 1112 CG ASP 2 17 -12.023 12.452 -0.200 1.00 0.00 C ATOM 1113 OD1 ASP 2 17 -12.930 13.003 0.460 1.00 0.00 O ATOM 1114 OD2 ASP 2 17 -11.918 11.227 -0.423 1.00 0.00 O ATOM 0 HA ASP 2 17 -10.352 14.130 1.133 1.00 0.00 H new ATOM 0 HB2 ASP 2 17 -11.422 14.240 -1.218 1.00 0.00 H new ATOM 0 HB3 ASP 2 17 -10.452 12.833 -1.608 1.00 0.00 H new ATOM 1119 N ARG 2 18 -7.626 12.967 0.375 1.00 0.00 N ATOM 1120 CA ARG 2 18 -6.600 11.959 0.578 1.00 0.00 C ATOM 1121 C ARG 2 18 -6.209 11.889 2.056 1.00 0.00 C ATOM 1122 O ARG 2 18 -6.731 12.643 2.876 1.00 0.00 O ATOM 1123 CB ARG 2 18 -5.354 12.263 -0.257 1.00 0.00 C ATOM 1124 CG ARG 2 18 -5.731 12.565 -1.709 1.00 0.00 C ATOM 1125 CD ARG 2 18 -4.878 13.706 -2.270 1.00 0.00 C ATOM 1126 NE ARG 2 18 -5.076 13.815 -3.732 1.00 0.00 N ATOM 1127 CZ ARG 2 18 -4.224 14.432 -4.563 1.00 0.00 C ATOM 1128 NH1 ARG 2 18 -3.111 14.998 -4.080 1.00 0.00 N ATOM 1129 NH2 ARG 2 18 -4.486 14.481 -5.875 1.00 0.00 N ATOM 0 H ARG 2 18 -7.272 13.904 0.185 1.00 0.00 H new ATOM 0 HA ARG 2 18 -7.011 11.001 0.261 1.00 0.00 H new ATOM 0 HB2 ARG 2 18 -4.824 13.114 0.170 1.00 0.00 H new ATOM 0 HB3 ARG 2 18 -4.672 11.413 -0.223 1.00 0.00 H new ATOM 0 HG2 ARG 2 18 -5.595 11.671 -2.318 1.00 0.00 H new ATOM 0 HG3 ARG 2 18 -6.786 12.832 -1.767 1.00 0.00 H new ATOM 0 HD2 ARG 2 18 -5.149 14.645 -1.787 1.00 0.00 H new ATOM 0 HD3 ARG 2 18 -3.826 13.526 -2.050 1.00 0.00 H new ATOM 0 HE ARG 2 18 -5.914 13.394 -4.133 1.00 0.00 H new ATOM 0 HH11 ARG 2 18 -2.912 14.960 -3.080 1.00 0.00 H new ATOM 0 HH12 ARG 2 18 -2.462 15.468 -4.712 1.00 0.00 H new ATOM 0 HH21 ARG 2 18 -5.334 14.049 -6.242 1.00 0.00 H new ATOM 0 HH22 ARG 2 18 -3.838 14.950 -6.507 1.00 0.00 H new ATOM 1143 N VAL 2 19 -5.294 10.978 2.351 1.00 0.00 N ATOM 1144 CA VAL 2 19 -4.827 10.801 3.716 1.00 0.00 C ATOM 1145 C VAL 2 19 -3.379 11.281 3.822 1.00 0.00 C ATOM 1146 O VAL 2 19 -2.653 10.884 4.732 1.00 0.00 O ATOM 1147 CB VAL 2 19 -5.005 9.342 4.144 1.00 0.00 C ATOM 1148 CG1 VAL 2 19 -4.949 9.207 5.667 1.00 0.00 C ATOM 1149 CG2 VAL 2 19 -6.309 8.763 3.590 1.00 0.00 C ATOM 0 H VAL 2 19 -4.863 10.354 1.668 1.00 0.00 H new ATOM 0 HA VAL 2 19 -5.420 11.404 4.404 1.00 0.00 H new ATOM 0 HB VAL 2 19 -4.179 8.767 3.726 1.00 0.00 H new ATOM 0 HG11 VAL 2 19 -5.078 8.161 5.945 1.00 0.00 H new ATOM 0 HG12 VAL 2 19 -3.984 9.562 6.028 1.00 0.00 H new ATOM 0 HG13 VAL 2 19 -5.745 9.802 6.115 1.00 0.00 H new ATOM 0 HG21 VAL 2 19 -6.411 7.726 3.909 1.00 0.00 H new ATOM 0 HG22 VAL 2 19 -7.153 9.342 3.965 1.00 0.00 H new ATOM 0 HG23 VAL 2 19 -6.293 8.808 2.501 1.00 0.00 H new ATOM 1159 N ASP 2 20 -3.000 12.130 2.877 1.00 0.00 N ATOM 1160 CA ASP 2 20 -1.651 12.668 2.852 1.00 0.00 C ATOM 1161 C ASP 2 20 -0.678 11.623 3.400 1.00 0.00 C ATOM 1162 O ASP 2 20 -0.388 11.606 4.595 1.00 0.00 O ATOM 1163 CB ASP 2 20 -1.542 13.919 3.727 1.00 0.00 C ATOM 1164 CG ASP 2 20 -0.153 14.181 4.311 1.00 0.00 C ATOM 1165 OD1 ASP 2 20 0.828 13.918 3.583 1.00 0.00 O ATOM 1166 OD2 ASP 2 20 -0.103 14.638 5.474 1.00 0.00 O ATOM 0 H ASP 2 20 -3.604 12.458 2.123 1.00 0.00 H new ATOM 0 HA ASP 2 20 -1.410 12.925 1.821 1.00 0.00 H new ATOM 0 HB2 ASP 2 20 -1.840 14.785 3.136 1.00 0.00 H new ATOM 0 HB3 ASP 2 20 -2.254 13.833 4.548 1.00 0.00 H new ATOM 1171 N CYS 2 21 -0.201 10.777 2.500 1.00 0.00 N ATOM 1172 CA CYS 2 21 0.733 9.730 2.878 1.00 0.00 C ATOM 1173 C CYS 2 21 1.853 10.362 3.708 1.00 0.00 C ATOM 1174 O CYS 2 21 2.342 9.755 4.660 1.00 0.00 O ATOM 1175 CB CYS 2 21 1.279 8.989 1.655 1.00 0.00 C ATOM 1176 SG CYS 2 21 2.015 7.353 2.014 1.00 0.00 S ATOM 0 H CYS 2 21 -0.444 10.795 1.509 1.00 0.00 H new ATOM 0 HA CYS 2 21 0.217 8.979 3.476 1.00 0.00 H new ATOM 0 HB2 CYS 2 21 0.470 8.858 0.936 1.00 0.00 H new ATOM 0 HB3 CYS 2 21 2.033 9.614 1.176 1.00 0.00 H new ATOM 1181 N GLY 2 22 2.224 11.573 3.318 1.00 0.00 N ATOM 1182 CA GLY 2 22 3.276 12.293 4.014 1.00 0.00 C ATOM 1183 C GLY 2 22 4.585 11.500 4.001 1.00 0.00 C ATOM 1184 O GLY 2 22 5.183 11.264 5.050 1.00 0.00 O ATOM 0 H GLY 2 22 1.815 12.073 2.529 1.00 0.00 H new ATOM 0 HA2 GLY 2 22 3.430 13.264 3.543 1.00 0.00 H new ATOM 0 HA3 GLY 2 22 2.972 12.483 5.043 1.00 0.00 H new ATOM 1188 N TYR 2 23 4.992 11.112 2.802 1.00 0.00 N ATOM 1189 CA TYR 2 23 6.219 10.351 2.638 1.00 0.00 C ATOM 1190 C TYR 2 23 7.422 11.281 2.467 1.00 0.00 C ATOM 1191 O TYR 2 23 7.335 12.295 1.778 1.00 0.00 O ATOM 1192 CB TYR 2 23 6.039 9.530 1.359 1.00 0.00 C ATOM 1193 CG TYR 2 23 6.508 8.080 1.481 1.00 0.00 C ATOM 1194 CD1 TYR 2 23 6.282 7.376 2.646 1.00 0.00 C ATOM 1195 CD2 TYR 2 23 7.157 7.473 0.424 1.00 0.00 C ATOM 1196 CE1 TYR 2 23 6.723 6.011 2.760 1.00 0.00 C ATOM 1197 CE2 TYR 2 23 7.598 6.106 0.538 1.00 0.00 C ATOM 1198 CZ TYR 2 23 7.359 5.443 1.701 1.00 0.00 C ATOM 1199 OH TYR 2 23 7.776 4.153 1.808 1.00 0.00 O ATOM 0 H TYR 2 23 4.494 11.310 1.934 1.00 0.00 H new ATOM 0 HA TYR 2 23 6.403 9.727 3.513 1.00 0.00 H new ATOM 0 HB2 TYR 2 23 4.986 9.538 1.079 1.00 0.00 H new ATOM 0 HB3 TYR 2 23 6.588 10.012 0.550 1.00 0.00 H new ATOM 0 HD1 TYR 2 23 5.774 7.850 3.473 1.00 0.00 H new ATOM 0 HD2 TYR 2 23 7.334 8.023 -0.488 1.00 0.00 H new ATOM 0 HE1 TYR 2 23 6.553 5.450 3.667 1.00 0.00 H new ATOM 0 HE2 TYR 2 23 8.107 5.619 -0.281 1.00 0.00 H new ATOM 0 HH TYR 2 23 8.715 4.089 1.535 1.00 0.00 H new ATOM 1209 N PRO 2 24 8.547 10.892 3.125 1.00 0.00 N ATOM 1210 CA PRO 2 24 9.767 11.678 3.053 1.00 0.00 C ATOM 1211 C PRO 2 24 10.455 11.501 1.698 1.00 0.00 C ATOM 1212 O PRO 2 24 11.393 12.227 1.374 1.00 0.00 O ATOM 1213 CB PRO 2 24 10.615 11.197 4.217 1.00 0.00 C ATOM 1214 CG PRO 2 24 10.046 9.845 4.618 1.00 0.00 C ATOM 1215 CD PRO 2 24 8.688 9.696 3.951 1.00 0.00 C ATOM 0 HA PRO 2 24 9.581 12.749 3.129 1.00 0.00 H new ATOM 0 HB2 PRO 2 24 11.662 11.109 3.927 1.00 0.00 H new ATOM 0 HB3 PRO 2 24 10.572 11.901 5.048 1.00 0.00 H new ATOM 0 HG2 PRO 2 24 10.714 9.042 4.307 1.00 0.00 H new ATOM 0 HG3 PRO 2 24 9.949 9.778 5.702 1.00 0.00 H new ATOM 0 HD2 PRO 2 24 8.641 8.790 3.347 1.00 0.00 H new ATOM 0 HD3 PRO 2 24 7.889 9.629 4.690 1.00 0.00 H new ATOM 1223 N HIS 2 25 9.962 10.531 0.943 1.00 0.00 N ATOM 1224 CA HIS 2 25 10.518 10.248 -0.370 1.00 0.00 C ATOM 1225 C HIS 2 25 9.418 10.354 -1.427 1.00 0.00 C ATOM 1226 O HIS 2 25 9.460 9.664 -2.445 1.00 0.00 O ATOM 1227 CB HIS 2 25 11.222 8.889 -0.381 1.00 0.00 C ATOM 1228 CG HIS 2 25 12.566 8.900 -1.069 1.00 0.00 C ATOM 1229 ND1 HIS 2 25 13.288 7.746 -1.321 1.00 0.00 N ATOM 1230 CD2 HIS 2 25 13.310 9.934 -1.557 1.00 0.00 C ATOM 1231 CE1 HIS 2 25 14.414 8.083 -1.932 1.00 0.00 C ATOM 1232 NE2 HIS 2 25 14.426 9.439 -2.077 1.00 0.00 N ATOM 0 H HIS 2 25 9.183 9.931 1.215 1.00 0.00 H new ATOM 0 HA HIS 2 25 11.280 10.989 -0.613 1.00 0.00 H new ATOM 0 HB2 HIS 2 25 11.354 8.551 0.647 1.00 0.00 H new ATOM 0 HB3 HIS 2 25 10.578 8.162 -0.875 1.00 0.00 H new ATOM 0 HD2 HIS 2 25 13.037 10.978 -1.525 1.00 0.00 H new ATOM 0 HE1 HIS 2 25 15.187 7.403 -2.258 1.00 0.00 H new ATOM 0 HE2 HIS 2 25 15.170 9.983 -2.513 1.00 0.00 H new ATOM 1241 N VAL 2 26 8.456 11.223 -1.149 1.00 0.00 N ATOM 1242 CA VAL 2 26 7.346 11.427 -2.064 1.00 0.00 C ATOM 1243 C VAL 2 26 7.889 11.669 -3.473 1.00 0.00 C ATOM 1244 O VAL 2 26 8.640 12.617 -3.699 1.00 0.00 O ATOM 1245 CB VAL 2 26 6.458 12.568 -1.562 1.00 0.00 C ATOM 1246 CG1 VAL 2 26 7.302 13.701 -0.976 1.00 0.00 C ATOM 1247 CG2 VAL 2 26 5.545 13.083 -2.676 1.00 0.00 C ATOM 0 H VAL 2 26 8.423 11.793 -0.304 1.00 0.00 H new ATOM 0 HA VAL 2 26 6.718 10.537 -2.106 1.00 0.00 H new ATOM 0 HB VAL 2 26 5.825 12.175 -0.766 1.00 0.00 H new ATOM 0 HG11 VAL 2 26 6.647 14.499 -0.627 1.00 0.00 H new ATOM 0 HG12 VAL 2 26 7.890 13.322 -0.140 1.00 0.00 H new ATOM 0 HG13 VAL 2 26 7.971 14.090 -1.743 1.00 0.00 H new ATOM 0 HG21 VAL 2 26 4.925 13.893 -2.293 1.00 0.00 H new ATOM 0 HG22 VAL 2 26 6.152 13.451 -3.503 1.00 0.00 H new ATOM 0 HG23 VAL 2 26 4.907 12.272 -3.027 1.00 0.00 H new ATOM 1257 N THR 2 27 7.488 10.795 -4.385 1.00 0.00 N ATOM 1258 CA THR 2 27 7.927 10.901 -5.767 1.00 0.00 C ATOM 1259 C THR 2 27 7.115 9.959 -6.657 1.00 0.00 C ATOM 1260 O THR 2 27 6.603 8.944 -6.189 1.00 0.00 O ATOM 1261 CB THR 2 27 9.432 10.631 -5.808 1.00 0.00 C ATOM 1262 OG1 THR 2 27 9.978 11.801 -6.412 1.00 0.00 O ATOM 1263 CG2 THR 2 27 9.798 9.506 -6.777 1.00 0.00 C ATOM 0 H THR 2 27 6.864 10.011 -4.194 1.00 0.00 H new ATOM 0 HA THR 2 27 7.752 11.902 -6.162 1.00 0.00 H new ATOM 0 HB THR 2 27 9.783 10.377 -4.808 1.00 0.00 H new ATOM 0 HG1 THR 2 27 10.952 11.712 -6.476 1.00 0.00 H new ATOM 0 HG21 THR 2 27 10.877 9.355 -6.768 1.00 0.00 H new ATOM 0 HG22 THR 2 27 9.300 8.586 -6.471 1.00 0.00 H new ATOM 0 HG23 THR 2 27 9.478 9.774 -7.784 1.00 0.00 H new ATOM 1271 N PRO 2 28 7.022 10.337 -7.961 1.00 0.00 N ATOM 1272 CA PRO 2 28 6.281 9.537 -8.921 1.00 0.00 C ATOM 1273 C PRO 2 28 7.064 8.280 -9.306 1.00 0.00 C ATOM 1274 O PRO 2 28 7.250 7.998 -10.489 1.00 0.00 O ATOM 1275 CB PRO 2 28 6.032 10.466 -10.099 1.00 0.00 C ATOM 1276 CG PRO 2 28 7.037 11.598 -9.955 1.00 0.00 C ATOM 1277 CD PRO 2 28 7.616 11.533 -8.552 1.00 0.00 C ATOM 0 HA PRO 2 28 5.339 9.164 -8.520 1.00 0.00 H new ATOM 0 HB2 PRO 2 28 6.167 9.942 -11.045 1.00 0.00 H new ATOM 0 HB3 PRO 2 28 5.011 10.846 -10.088 1.00 0.00 H new ATOM 0 HG2 PRO 2 28 7.828 11.503 -10.699 1.00 0.00 H new ATOM 0 HG3 PRO 2 28 6.554 12.561 -10.124 1.00 0.00 H new ATOM 0 HD2 PRO 2 28 8.704 11.465 -8.575 1.00 0.00 H new ATOM 0 HD3 PRO 2 28 7.365 12.425 -7.978 1.00 0.00 H new ATOM 1285 N LYS 2 29 7.502 7.558 -8.285 1.00 0.00 N ATOM 1286 CA LYS 2 29 8.261 6.338 -8.502 1.00 0.00 C ATOM 1287 C LYS 2 29 8.518 5.656 -7.157 1.00 0.00 C ATOM 1288 O LYS 2 29 8.750 4.450 -7.103 1.00 0.00 O ATOM 1289 CB LYS 2 29 9.535 6.633 -9.296 1.00 0.00 C ATOM 1290 CG LYS 2 29 10.254 5.339 -9.679 1.00 0.00 C ATOM 1291 CD LYS 2 29 10.583 5.316 -11.173 1.00 0.00 C ATOM 1292 CE LYS 2 29 11.697 4.310 -11.474 1.00 0.00 C ATOM 1293 NZ LYS 2 29 11.676 3.926 -12.904 1.00 0.00 N ATOM 0 H LYS 2 29 7.346 7.794 -7.305 1.00 0.00 H new ATOM 0 HA LYS 2 29 7.689 5.637 -9.111 1.00 0.00 H new ATOM 0 HB2 LYS 2 29 9.285 7.194 -10.196 1.00 0.00 H new ATOM 0 HB3 LYS 2 29 10.200 7.261 -8.703 1.00 0.00 H new ATOM 0 HG2 LYS 2 29 11.172 5.244 -9.099 1.00 0.00 H new ATOM 0 HG3 LYS 2 29 9.628 4.483 -9.428 1.00 0.00 H new ATOM 0 HD2 LYS 2 29 9.690 5.056 -11.742 1.00 0.00 H new ATOM 0 HD3 LYS 2 29 10.889 6.311 -11.497 1.00 0.00 H new ATOM 0 HE2 LYS 2 29 12.665 4.744 -11.222 1.00 0.00 H new ATOM 0 HE3 LYS 2 29 11.573 3.424 -10.851 1.00 0.00 H new ATOM 0 HZ1 LYS 2 29 12.438 3.243 -13.091 1.00 0.00 H new ATOM 0 HZ2 LYS 2 29 10.759 3.493 -13.134 1.00 0.00 H new ATOM 0 HZ3 LYS 2 29 11.817 4.772 -13.493 1.00 0.00 H new ATOM 1307 N GLU 2 30 8.467 6.459 -6.104 1.00 0.00 N ATOM 1308 CA GLU 2 30 8.693 5.948 -4.762 1.00 0.00 C ATOM 1309 C GLU 2 30 7.357 5.690 -4.062 1.00 0.00 C ATOM 1310 O GLU 2 30 7.170 4.645 -3.440 1.00 0.00 O ATOM 1311 CB GLU 2 30 9.561 6.910 -3.949 1.00 0.00 C ATOM 1312 CG GLU 2 30 10.999 6.396 -3.846 1.00 0.00 C ATOM 1313 CD GLU 2 30 11.787 6.712 -5.118 1.00 0.00 C ATOM 1314 OE1 GLU 2 30 11.470 6.085 -6.152 1.00 0.00 O ATOM 1315 OE2 GLU 2 30 12.688 7.573 -5.030 1.00 0.00 O ATOM 0 H GLU 2 30 8.273 7.459 -6.153 1.00 0.00 H new ATOM 0 HA GLU 2 30 9.230 5.003 -4.839 1.00 0.00 H new ATOM 0 HB2 GLU 2 30 9.555 7.895 -4.417 1.00 0.00 H new ATOM 0 HB3 GLU 2 30 9.141 7.029 -2.950 1.00 0.00 H new ATOM 0 HG2 GLU 2 30 11.491 6.852 -2.987 1.00 0.00 H new ATOM 0 HG3 GLU 2 30 10.993 5.319 -3.676 1.00 0.00 H new ATOM 1322 N CYS 2 31 6.462 6.659 -4.186 1.00 0.00 N ATOM 1323 CA CYS 2 31 5.150 6.549 -3.574 1.00 0.00 C ATOM 1324 C CYS 2 31 4.419 5.367 -4.212 1.00 0.00 C ATOM 1325 O CYS 2 31 3.976 4.455 -3.514 1.00 0.00 O ATOM 1326 CB CYS 2 31 4.354 7.850 -3.704 1.00 0.00 C ATOM 1327 SG CYS 2 31 4.789 9.141 -2.482 1.00 0.00 S ATOM 0 H CYS 2 31 6.620 7.525 -4.702 1.00 0.00 H new ATOM 0 HA CYS 2 31 5.259 6.372 -2.504 1.00 0.00 H new ATOM 0 HB2 CYS 2 31 4.504 8.253 -4.706 1.00 0.00 H new ATOM 0 HB3 CYS 2 31 3.293 7.621 -3.608 1.00 0.00 H new ATOM 1332 N ASN 2 32 4.315 5.419 -5.531 1.00 0.00 N ATOM 1333 CA ASN 2 32 3.644 4.363 -6.272 1.00 0.00 C ATOM 1334 C ASN 2 32 4.416 3.054 -6.096 1.00 0.00 C ATOM 1335 O ASN 2 32 3.975 2.002 -6.555 1.00 0.00 O ATOM 1336 CB ASN 2 32 3.596 4.685 -7.767 1.00 0.00 C ATOM 1337 CG ASN 2 32 2.305 5.423 -8.126 1.00 0.00 C ATOM 1338 OD1 ASN 2 32 2.072 6.500 -7.381 1.00 0.00 O flip ATOM 1339 ND2 ASN 2 32 1.569 5.041 -9.022 1.00 0.00 N flip ATOM 0 H ASN 2 32 4.684 6.176 -6.107 1.00 0.00 H new ATOM 0 HA ASN 2 32 2.627 4.275 -5.889 1.00 0.00 H new ATOM 0 HB2 ASN 2 32 4.457 5.296 -8.039 1.00 0.00 H new ATOM 0 HB3 ASN 2 32 3.665 3.763 -8.344 1.00 0.00 H new ATOM 0 HD21 ASN 2 32 1.807 4.205 -9.556 1.00 0.00 H new ATOM 0 HD22 ASN 2 32 0.716 5.558 -9.237 1.00 0.00 H new ATOM 1346 N ASN 2 33 5.556 3.161 -5.427 1.00 0.00 N ATOM 1347 CA ASN 2 33 6.393 1.998 -5.184 1.00 0.00 C ATOM 1348 C ASN 2 33 6.248 1.568 -3.723 1.00 0.00 C ATOM 1349 O ASN 2 33 6.393 0.389 -3.402 1.00 0.00 O ATOM 1350 CB ASN 2 33 7.867 2.319 -5.438 1.00 0.00 C ATOM 1351 CG ASN 2 33 8.764 1.164 -4.986 1.00 0.00 C ATOM 1352 OD1 ASN 2 33 8.544 0.009 -5.309 1.00 0.00 O ATOM 1353 ND2 ASN 2 33 9.786 1.542 -4.222 1.00 0.00 N ATOM 0 H ASN 2 33 5.919 4.035 -5.046 1.00 0.00 H new ATOM 0 HA ASN 2 33 6.074 1.205 -5.860 1.00 0.00 H new ATOM 0 HB2 ASN 2 33 8.023 2.512 -6.499 1.00 0.00 H new ATOM 0 HB3 ASN 2 33 8.142 3.229 -4.904 1.00 0.00 H new ATOM 0 HD21 ASN 2 33 10.443 0.847 -3.869 1.00 0.00 H new ATOM 0 HD22 ASN 2 33 9.912 2.527 -3.989 1.00 0.00 H new ATOM 1360 N ARG 2 34 5.964 2.547 -2.876 1.00 0.00 N ATOM 1361 CA ARG 2 34 5.799 2.284 -1.456 1.00 0.00 C ATOM 1362 C ARG 2 34 4.354 1.881 -1.157 1.00 0.00 C ATOM 1363 O ARG 2 34 4.101 1.091 -0.248 1.00 0.00 O ATOM 1364 CB ARG 2 34 6.162 3.514 -0.623 1.00 0.00 C ATOM 1365 CG ARG 2 34 4.981 4.484 -0.536 1.00 0.00 C ATOM 1366 CD ARG 2 34 4.022 4.082 0.587 1.00 0.00 C ATOM 1367 NE ARG 2 34 4.138 5.031 1.717 1.00 0.00 N ATOM 1368 CZ ARG 2 34 3.741 4.763 2.967 1.00 0.00 C ATOM 1369 NH1 ARG 2 34 3.199 3.571 3.257 1.00 0.00 N ATOM 1370 NH2 ARG 2 34 3.885 5.683 3.929 1.00 0.00 N ATOM 0 H ARG 2 34 5.844 3.523 -3.146 1.00 0.00 H new ATOM 0 HA ARG 2 34 6.470 1.468 -1.188 1.00 0.00 H new ATOM 0 HB2 ARG 2 34 6.458 3.205 0.379 1.00 0.00 H new ATOM 0 HB3 ARG 2 34 7.020 4.019 -1.067 1.00 0.00 H new ATOM 0 HG2 ARG 2 34 5.349 5.495 -0.361 1.00 0.00 H new ATOM 0 HG3 ARG 2 34 4.448 4.499 -1.486 1.00 0.00 H new ATOM 0 HD2 ARG 2 34 2.998 4.071 0.215 1.00 0.00 H new ATOM 0 HD3 ARG 2 34 4.249 3.071 0.926 1.00 0.00 H new ATOM 0 HE ARG 2 34 4.546 5.947 1.531 1.00 0.00 H new ATOM 0 HH11 ARG 2 34 3.089 2.869 2.525 1.00 0.00 H new ATOM 0 HH12 ARG 2 34 2.896 3.366 4.209 1.00 0.00 H new ATOM 0 HH21 ARG 2 34 4.298 6.590 3.710 1.00 0.00 H new ATOM 0 HH22 ARG 2 34 3.582 5.477 4.881 1.00 0.00 H new ATOM 1384 N GLY 2 35 3.443 2.440 -1.939 1.00 0.00 N ATOM 1385 CA GLY 2 35 2.029 2.148 -1.769 1.00 0.00 C ATOM 1386 C GLY 2 35 1.211 3.438 -1.667 1.00 0.00 C ATOM 1387 O GLY 2 35 0.129 3.446 -1.082 1.00 0.00 O ATOM 0 H GLY 2 35 3.656 3.094 -2.692 1.00 0.00 H new ATOM 0 HA2 GLY 2 35 1.673 1.553 -2.610 1.00 0.00 H new ATOM 0 HA3 GLY 2 35 1.883 1.549 -0.870 1.00 0.00 H new ATOM 1391 N CYS 2 36 1.761 4.496 -2.244 1.00 0.00 N ATOM 1392 CA CYS 2 36 1.097 5.788 -2.226 1.00 0.00 C ATOM 1393 C CYS 2 36 0.901 6.249 -3.671 1.00 0.00 C ATOM 1394 O CYS 2 36 1.461 5.662 -4.595 1.00 0.00 O ATOM 1395 CB CYS 2 36 1.877 6.814 -1.401 1.00 0.00 C ATOM 1396 SG CYS 2 36 1.997 6.432 0.385 1.00 0.00 S ATOM 0 H CYS 2 36 2.659 4.485 -2.727 1.00 0.00 H new ATOM 0 HA CYS 2 36 0.125 5.692 -1.742 1.00 0.00 H new ATOM 0 HB2 CYS 2 36 2.884 6.897 -1.809 1.00 0.00 H new ATOM 0 HB3 CYS 2 36 1.404 7.789 -1.519 1.00 0.00 H new ATOM 1401 N CYS 2 37 0.101 7.295 -3.822 1.00 0.00 N ATOM 1402 CA CYS 2 37 -0.176 7.840 -5.140 1.00 0.00 C ATOM 1403 C CYS 2 37 0.400 9.257 -5.204 1.00 0.00 C ATOM 1404 O CYS 2 37 0.145 10.075 -4.321 1.00 0.00 O ATOM 1405 CB CYS 2 37 -1.673 7.818 -5.458 1.00 0.00 C ATOM 1406 SG CYS 2 37 -2.077 7.740 -7.240 1.00 0.00 S ATOM 0 H CYS 2 37 -0.364 7.779 -3.054 1.00 0.00 H new ATOM 0 HA CYS 2 37 0.299 7.220 -5.900 1.00 0.00 H new ATOM 0 HB2 CYS 2 37 -2.123 6.960 -4.960 1.00 0.00 H new ATOM 0 HB3 CYS 2 37 -2.133 8.710 -5.034 1.00 0.00 H new ATOM 0 HG CYS 2 37 -3.368 7.724 -7.392 1.00 0.00 H new ATOM 1411 N PHE 2 38 1.165 9.503 -6.258 1.00 0.00 N ATOM 1412 CA PHE 2 38 1.779 10.806 -6.448 1.00 0.00 C ATOM 1413 C PHE 2 38 0.916 11.692 -7.350 1.00 0.00 C ATOM 1414 O PHE 2 38 0.662 11.349 -8.504 1.00 0.00 O ATOM 1415 CB PHE 2 38 3.129 10.569 -7.128 1.00 0.00 C ATOM 1416 CG PHE 2 38 4.041 11.797 -7.143 1.00 0.00 C ATOM 1417 CD1 PHE 2 38 4.750 12.131 -6.032 1.00 0.00 C ATOM 1418 CD2 PHE 2 38 4.144 12.554 -8.269 1.00 0.00 C ATOM 1419 CE1 PHE 2 38 5.598 13.271 -6.046 1.00 0.00 C ATOM 1420 CE2 PHE 2 38 4.992 13.693 -8.282 1.00 0.00 C ATOM 1421 CZ PHE 2 38 5.699 14.028 -7.171 1.00 0.00 C ATOM 0 H PHE 2 38 1.373 8.822 -6.989 1.00 0.00 H new ATOM 0 HA PHE 2 38 1.890 11.309 -5.487 1.00 0.00 H new ATOM 0 HB2 PHE 2 38 3.643 9.754 -6.619 1.00 0.00 H new ATOM 0 HB3 PHE 2 38 2.956 10.245 -8.154 1.00 0.00 H new ATOM 0 HD1 PHE 2 38 4.669 11.530 -5.139 1.00 0.00 H new ATOM 0 HD2 PHE 2 38 3.581 12.289 -9.152 1.00 0.00 H new ATOM 0 HE1 PHE 2 38 6.162 13.536 -5.164 1.00 0.00 H new ATOM 0 HE2 PHE 2 38 5.075 14.294 -9.176 1.00 0.00 H new ATOM 0 HZ PHE 2 38 6.342 14.896 -7.182 1.00 0.00 H new ATOM 1431 N ASP 2 39 0.489 12.813 -6.789 1.00 0.00 N ATOM 1432 CA ASP 2 39 -0.340 13.751 -7.528 1.00 0.00 C ATOM 1433 C ASP 2 39 0.547 14.604 -8.436 1.00 0.00 C ATOM 1434 O ASP 2 39 0.698 14.307 -9.619 1.00 0.00 O ATOM 1435 CB ASP 2 39 -1.090 14.690 -6.580 1.00 0.00 C ATOM 1436 CG ASP 2 39 -1.326 16.101 -7.121 1.00 0.00 C ATOM 1437 OD1 ASP 2 39 -2.114 16.215 -8.084 1.00 0.00 O ATOM 1438 OD2 ASP 2 39 -0.712 17.035 -6.560 1.00 0.00 O ATOM 0 H ASP 2 39 0.701 13.094 -5.832 1.00 0.00 H new ATOM 0 HA ASP 2 39 -1.061 13.177 -8.111 1.00 0.00 H new ATOM 0 HB2 ASP 2 39 -2.055 14.244 -6.339 1.00 0.00 H new ATOM 0 HB3 ASP 2 39 -0.530 14.763 -5.648 1.00 0.00 H new ATOM 1443 N SER 2 40 1.111 15.648 -7.846 1.00 0.00 N ATOM 1444 CA SER 2 40 1.979 16.547 -8.587 1.00 0.00 C ATOM 1445 C SER 2 40 1.146 17.626 -9.282 1.00 0.00 C ATOM 1446 O SER 2 40 1.649 18.710 -9.576 1.00 0.00 O ATOM 1447 CB SER 2 40 2.818 15.781 -9.614 1.00 0.00 C ATOM 1448 OG SER 2 40 4.067 16.419 -9.863 1.00 0.00 O ATOM 0 H SER 2 40 0.984 15.891 -6.864 1.00 0.00 H new ATOM 0 HA SER 2 40 2.661 17.022 -7.881 1.00 0.00 H new ATOM 0 HB2 SER 2 40 2.994 14.767 -9.255 1.00 0.00 H new ATOM 0 HB3 SER 2 40 2.261 15.697 -10.547 1.00 0.00 H new ATOM 0 HG SER 2 40 4.574 15.900 -10.522 1.00 0.00 H new ATOM 1454 N ARG 2 41 -0.113 17.293 -9.523 1.00 0.00 N ATOM 1455 CA ARG 2 41 -1.021 18.219 -10.177 1.00 0.00 C ATOM 1456 C ARG 2 41 -1.264 19.440 -9.288 1.00 0.00 C ATOM 1457 O ARG 2 41 -1.268 20.572 -9.769 1.00 0.00 O ATOM 1458 CB ARG 2 41 -2.361 17.549 -10.491 1.00 0.00 C ATOM 1459 CG ARG 2 41 -2.155 16.113 -10.974 1.00 0.00 C ATOM 1460 CD ARG 2 41 -3.152 15.759 -12.081 1.00 0.00 C ATOM 1461 NE ARG 2 41 -2.510 15.904 -13.406 1.00 0.00 N ATOM 1462 CZ ARG 2 41 -3.179 15.927 -14.566 1.00 0.00 C ATOM 1463 NH1 ARG 2 41 -4.514 15.813 -14.572 1.00 0.00 N ATOM 1464 NH2 ARG 2 41 -2.514 16.064 -15.721 1.00 0.00 N ATOM 0 H ARG 2 41 -0.526 16.394 -9.277 1.00 0.00 H new ATOM 0 HA ARG 2 41 -0.558 18.533 -11.112 1.00 0.00 H new ATOM 0 HB2 ARG 2 41 -2.990 17.550 -9.601 1.00 0.00 H new ATOM 0 HB3 ARG 2 41 -2.888 18.121 -11.254 1.00 0.00 H new ATOM 0 HG2 ARG 2 41 -1.137 15.992 -11.344 1.00 0.00 H new ATOM 0 HG3 ARG 2 41 -2.274 15.424 -10.138 1.00 0.00 H new ATOM 0 HD2 ARG 2 41 -3.506 14.737 -11.949 1.00 0.00 H new ATOM 0 HD3 ARG 2 41 -4.025 16.409 -12.017 1.00 0.00 H new ATOM 0 HE ARG 2 41 -1.494 15.992 -13.438 1.00 0.00 H new ATOM 0 HH11 ARG 2 41 -5.021 15.709 -13.693 1.00 0.00 H new ATOM 0 HH12 ARG 2 41 -5.023 15.831 -15.456 1.00 0.00 H new ATOM 0 HH21 ARG 2 41 -1.498 16.151 -15.717 1.00 0.00 H new ATOM 0 HH22 ARG 2 41 -3.024 16.081 -16.604 1.00 0.00 H new ATOM 1478 N ILE 2 42 -1.461 19.169 -8.006 1.00 0.00 N ATOM 1479 CA ILE 2 42 -1.706 20.231 -7.045 1.00 0.00 C ATOM 1480 C ILE 2 42 -0.630 20.185 -5.957 1.00 0.00 C ATOM 1481 O ILE 2 42 -0.643 19.299 -5.104 1.00 0.00 O ATOM 1482 CB ILE 2 42 -3.133 20.146 -6.504 1.00 0.00 C ATOM 1483 CG1 ILE 2 42 -4.086 19.577 -7.557 1.00 0.00 C ATOM 1484 CG2 ILE 2 42 -3.603 21.505 -5.981 1.00 0.00 C ATOM 1485 CD1 ILE 2 42 -5.545 19.806 -7.156 1.00 0.00 C ATOM 0 H ILE 2 42 -1.456 18.229 -7.610 1.00 0.00 H new ATOM 0 HA ILE 2 42 -1.632 21.206 -7.527 1.00 0.00 H new ATOM 0 HB ILE 2 42 -3.137 19.457 -5.660 1.00 0.00 H new ATOM 0 HG12 ILE 2 42 -3.892 20.048 -8.521 1.00 0.00 H new ATOM 0 HG13 ILE 2 42 -3.902 18.510 -7.680 1.00 0.00 H new ATOM 0 HG21 ILE 2 42 -4.621 21.417 -5.602 1.00 0.00 H new ATOM 0 HG22 ILE 2 42 -2.944 21.833 -5.177 1.00 0.00 H new ATOM 0 HG23 ILE 2 42 -3.579 22.234 -6.791 1.00 0.00 H new ATOM 0 HD11 ILE 2 42 -6.202 19.392 -7.921 1.00 0.00 H new ATOM 0 HD12 ILE 2 42 -5.742 19.314 -6.204 1.00 0.00 H new ATOM 0 HD13 ILE 2 42 -5.732 20.875 -7.057 1.00 0.00 H new ATOM 1497 N PRO 2 43 0.297 21.177 -6.023 1.00 0.00 N ATOM 1498 CA PRO 2 43 1.377 21.257 -5.054 1.00 0.00 C ATOM 1499 C PRO 2 43 0.867 21.777 -3.708 1.00 0.00 C ATOM 1500 O PRO 2 43 1.625 21.858 -2.742 1.00 0.00 O ATOM 1501 CB PRO 2 43 2.410 22.171 -5.691 1.00 0.00 C ATOM 1502 CG PRO 2 43 1.675 22.937 -6.779 1.00 0.00 C ATOM 1503 CD PRO 2 43 0.344 22.243 -7.019 1.00 0.00 C ATOM 0 HA PRO 2 43 1.812 20.284 -4.827 1.00 0.00 H new ATOM 0 HB2 PRO 2 43 2.836 22.852 -4.954 1.00 0.00 H new ATOM 0 HB3 PRO 2 43 3.236 21.595 -6.109 1.00 0.00 H new ATOM 0 HG2 PRO 2 43 1.517 23.972 -6.477 1.00 0.00 H new ATOM 0 HG3 PRO 2 43 2.265 22.959 -7.695 1.00 0.00 H new ATOM 0 HD2 PRO 2 43 -0.490 22.934 -6.899 1.00 0.00 H new ATOM 0 HD3 PRO 2 43 0.283 21.842 -8.031 1.00 0.00 H new ATOM 1511 N GLY 2 44 -0.414 22.116 -3.687 1.00 0.00 N ATOM 1512 CA GLY 2 44 -1.033 22.625 -2.475 1.00 0.00 C ATOM 1513 C GLY 2 44 -1.635 21.488 -1.648 1.00 0.00 C ATOM 1514 O GLY 2 44 -2.095 21.706 -0.528 1.00 0.00 O ATOM 0 H GLY 2 44 -1.040 22.048 -4.490 1.00 0.00 H new ATOM 0 HA2 GLY 2 44 -0.292 23.159 -1.880 1.00 0.00 H new ATOM 0 HA3 GLY 2 44 -1.811 23.343 -2.734 1.00 0.00 H new ATOM 1518 N VAL 2 45 -1.613 20.298 -2.231 1.00 0.00 N ATOM 1519 CA VAL 2 45 -2.151 19.127 -1.561 1.00 0.00 C ATOM 1520 C VAL 2 45 -1.050 18.073 -1.423 1.00 0.00 C ATOM 1521 O VAL 2 45 0.101 18.322 -1.778 1.00 0.00 O ATOM 1522 CB VAL 2 45 -3.380 18.612 -2.314 1.00 0.00 C ATOM 1523 CG1 VAL 2 45 -4.169 19.768 -2.929 1.00 0.00 C ATOM 1524 CG2 VAL 2 45 -2.982 17.591 -3.381 1.00 0.00 C ATOM 0 H VAL 2 45 -1.231 20.120 -3.160 1.00 0.00 H new ATOM 0 HA VAL 2 45 -2.485 19.382 -0.555 1.00 0.00 H new ATOM 0 HB VAL 2 45 -4.027 18.109 -1.595 1.00 0.00 H new ATOM 0 HG11 VAL 2 45 -5.037 19.375 -3.458 1.00 0.00 H new ATOM 0 HG12 VAL 2 45 -4.500 20.443 -2.140 1.00 0.00 H new ATOM 0 HG13 VAL 2 45 -3.533 20.311 -3.628 1.00 0.00 H new ATOM 0 HG21 VAL 2 45 -3.874 17.241 -3.901 1.00 0.00 H new ATOM 0 HG22 VAL 2 45 -2.305 18.058 -4.096 1.00 0.00 H new ATOM 0 HG23 VAL 2 45 -2.483 16.745 -2.907 1.00 0.00 H new ATOM 1534 N PRO 2 46 -1.453 16.887 -0.892 1.00 0.00 N ATOM 1535 CA PRO 2 46 -0.513 15.795 -0.702 1.00 0.00 C ATOM 1536 C PRO 2 46 -0.178 15.123 -2.035 1.00 0.00 C ATOM 1537 O PRO 2 46 -1.066 14.626 -2.725 1.00 0.00 O ATOM 1538 CB PRO 2 46 -1.195 14.857 0.281 1.00 0.00 C ATOM 1539 CG PRO 2 46 -2.671 15.217 0.247 1.00 0.00 C ATOM 1540 CD PRO 2 46 -2.807 16.557 -0.459 1.00 0.00 C ATOM 0 HA PRO 2 46 0.448 16.129 -0.312 1.00 0.00 H new ATOM 0 HB2 PRO 2 46 -1.041 13.816 -0.002 1.00 0.00 H new ATOM 0 HB3 PRO 2 46 -0.787 14.979 1.284 1.00 0.00 H new ATOM 0 HG2 PRO 2 46 -3.239 14.449 -0.278 1.00 0.00 H new ATOM 0 HG3 PRO 2 46 -3.073 15.276 1.258 1.00 0.00 H new ATOM 0 HD2 PRO 2 46 -3.489 16.490 -1.307 1.00 0.00 H new ATOM 0 HD3 PRO 2 46 -3.205 17.319 0.211 1.00 0.00 H new ATOM 1548 N TRP 2 47 1.108 15.130 -2.356 1.00 0.00 N ATOM 1549 CA TRP 2 47 1.572 14.527 -3.595 1.00 0.00 C ATOM 1550 C TRP 2 47 1.971 13.082 -3.296 1.00 0.00 C ATOM 1551 O TRP 2 47 2.823 12.515 -3.979 1.00 0.00 O ATOM 1552 CB TRP 2 47 2.709 15.346 -4.211 1.00 0.00 C ATOM 1553 CG TRP 2 47 2.859 16.748 -3.616 1.00 0.00 C ATOM 1554 CD1 TRP 2 47 2.100 17.828 -3.847 1.00 0.00 C ATOM 1555 CD2 TRP 2 47 3.865 17.180 -2.676 1.00 0.00 C ATOM 1556 NE1 TRP 2 47 2.542 18.919 -3.127 1.00 0.00 N ATOM 1557 CE2 TRP 2 47 3.650 18.513 -2.393 1.00 0.00 C ATOM 1558 CE3 TRP 2 47 4.924 16.467 -2.085 1.00 0.00 C ATOM 1559 CZ2 TRP 2 47 4.450 19.249 -1.512 1.00 0.00 C ATOM 1560 CZ3 TRP 2 47 5.715 17.217 -1.206 1.00 0.00 C ATOM 1561 CH2 TRP 2 47 5.510 18.560 -0.911 1.00 0.00 C ATOM 0 H TRP 2 47 1.842 15.543 -1.781 1.00 0.00 H new ATOM 0 HA TRP 2 47 0.779 14.522 -4.343 1.00 0.00 H new ATOM 0 HB2 TRP 2 47 3.646 14.804 -4.079 1.00 0.00 H new ATOM 0 HB3 TRP 2 47 2.540 15.434 -5.284 1.00 0.00 H new ATOM 0 HD1 TRP 2 47 1.250 17.843 -4.513 1.00 0.00 H new ATOM 0 HE1 TRP 2 47 2.131 19.852 -3.133 1.00 0.00 H new ATOM 0 HE3 TRP 2 47 5.112 15.424 -2.293 1.00 0.00 H new ATOM 0 HZ2 TRP 2 47 4.260 20.292 -1.307 1.00 0.00 H new ATOM 0 HZ3 TRP 2 47 6.542 16.717 -0.724 1.00 0.00 H new ATOM 0 HH2 TRP 2 47 6.166 19.070 -0.221 1.00 0.00 H new ATOM 1572 N CYS 2 48 1.338 12.524 -2.273 1.00 0.00 N ATOM 1573 CA CYS 2 48 1.616 11.156 -1.876 1.00 0.00 C ATOM 1574 C CYS 2 48 0.544 10.718 -0.876 1.00 0.00 C ATOM 1575 O CYS 2 48 0.603 11.076 0.299 1.00 0.00 O ATOM 1576 CB CYS 2 48 3.026 11.008 -1.302 1.00 0.00 C ATOM 1577 SG CYS 2 48 3.578 9.281 -1.052 1.00 0.00 S ATOM 0 H CYS 2 48 0.633 12.997 -1.708 1.00 0.00 H new ATOM 0 HA CYS 2 48 1.582 10.507 -2.751 1.00 0.00 H new ATOM 0 HB2 CYS 2 48 3.729 11.506 -1.970 1.00 0.00 H new ATOM 0 HB3 CYS 2 48 3.070 11.530 -0.346 1.00 0.00 H new ATOM 1582 N PHE 2 49 -0.412 9.950 -1.379 1.00 0.00 N ATOM 1583 CA PHE 2 49 -1.496 9.460 -0.544 1.00 0.00 C ATOM 1584 C PHE 2 49 -1.798 7.991 -0.846 1.00 0.00 C ATOM 1585 O PHE 2 49 -1.034 7.326 -1.543 1.00 0.00 O ATOM 1586 CB PHE 2 49 -2.730 10.301 -0.875 1.00 0.00 C ATOM 1587 CG PHE 2 49 -2.727 10.882 -2.290 1.00 0.00 C ATOM 1588 CD1 PHE 2 49 -1.784 11.795 -2.649 1.00 0.00 C ATOM 1589 CD2 PHE 2 49 -3.666 10.484 -3.190 1.00 0.00 C ATOM 1590 CE1 PHE 2 49 -1.782 12.333 -3.964 1.00 0.00 C ATOM 1591 CE2 PHE 2 49 -3.663 11.022 -4.504 1.00 0.00 C ATOM 1592 CZ PHE 2 49 -2.722 11.936 -4.863 1.00 0.00 C ATOM 0 H PHE 2 49 -0.458 9.655 -2.354 1.00 0.00 H new ATOM 0 HA PHE 2 49 -1.221 9.538 0.508 1.00 0.00 H new ATOM 0 HB2 PHE 2 49 -3.621 9.686 -0.748 1.00 0.00 H new ATOM 0 HB3 PHE 2 49 -2.803 11.119 -0.158 1.00 0.00 H new ATOM 0 HD1 PHE 2 49 -1.038 12.110 -1.935 1.00 0.00 H new ATOM 0 HD2 PHE 2 49 -4.414 9.759 -2.905 1.00 0.00 H new ATOM 0 HE1 PHE 2 49 -1.034 13.057 -4.250 1.00 0.00 H new ATOM 0 HE2 PHE 2 49 -4.408 10.705 -5.219 1.00 0.00 H new ATOM 0 HZ PHE 2 49 -2.721 12.346 -5.862 1.00 0.00 H new ATOM 1602 N LYS 2 50 -2.915 7.528 -0.305 1.00 0.00 N ATOM 1603 CA LYS 2 50 -3.330 6.150 -0.506 1.00 0.00 C ATOM 1604 C LYS 2 50 -4.734 6.127 -1.115 1.00 0.00 C ATOM 1605 O LYS 2 50 -5.690 5.715 -0.460 1.00 0.00 O ATOM 1606 CB LYS 2 50 -3.211 5.357 0.797 1.00 0.00 C ATOM 1607 CG LYS 2 50 -3.865 6.110 1.957 1.00 0.00 C ATOM 1608 CD LYS 2 50 -2.876 6.310 3.108 1.00 0.00 C ATOM 1609 CE LYS 2 50 -1.550 6.879 2.599 1.00 0.00 C ATOM 1610 NZ LYS 2 50 -0.436 5.956 2.912 1.00 0.00 N ATOM 0 H LYS 2 50 -3.546 8.083 0.273 1.00 0.00 H new ATOM 0 HA LYS 2 50 -2.667 5.653 -1.215 1.00 0.00 H new ATOM 0 HB2 LYS 2 50 -3.684 4.382 0.678 1.00 0.00 H new ATOM 0 HB3 LYS 2 50 -2.160 5.176 1.022 1.00 0.00 H new ATOM 0 HG2 LYS 2 50 -4.225 7.078 1.610 1.00 0.00 H new ATOM 0 HG3 LYS 2 50 -4.734 5.555 2.312 1.00 0.00 H new ATOM 0 HD2 LYS 2 50 -3.305 6.985 3.848 1.00 0.00 H new ATOM 0 HD3 LYS 2 50 -2.699 5.359 3.610 1.00 0.00 H new ATOM 0 HE2 LYS 2 50 -1.606 7.039 1.522 1.00 0.00 H new ATOM 0 HE3 LYS 2 50 -1.365 7.851 3.057 1.00 0.00 H new ATOM 0 HZ1 LYS 2 50 0.354 6.131 2.258 1.00 0.00 H new ATOM 0 HZ2 LYS 2 50 -0.118 6.115 3.889 1.00 0.00 H new ATOM 0 HZ3 LYS 2 50 -0.760 4.973 2.809 1.00 0.00 H new ATOM 1624 N PRO 2 51 -4.815 6.587 -2.392 1.00 0.00 N ATOM 1625 CA PRO 2 51 -6.086 6.623 -3.095 1.00 0.00 C ATOM 1626 C PRO 2 51 -6.509 5.221 -3.536 1.00 0.00 C ATOM 1627 O PRO 2 51 -7.051 4.454 -2.743 1.00 0.00 O ATOM 1628 CB PRO 2 51 -5.862 7.572 -4.262 1.00 0.00 C ATOM 1629 CG PRO 2 51 -4.356 7.667 -4.439 1.00 0.00 C ATOM 1630 CD PRO 2 51 -3.702 7.083 -3.197 1.00 0.00 C ATOM 0 HA PRO 2 51 -6.905 6.972 -2.466 1.00 0.00 H new ATOM 0 HB2 PRO 2 51 -6.339 7.197 -5.168 1.00 0.00 H new ATOM 0 HB3 PRO 2 51 -6.294 8.552 -4.057 1.00 0.00 H new ATOM 0 HG2 PRO 2 51 -4.041 7.121 -5.328 1.00 0.00 H new ATOM 0 HG3 PRO 2 51 -4.053 8.705 -4.578 1.00 0.00 H new ATOM 0 HD2 PRO 2 51 -3.010 6.281 -3.454 1.00 0.00 H new ATOM 0 HD3 PRO 2 51 -3.129 7.838 -2.659 1.00 0.00 H new ATOM 1638 N LEU 2 52 -6.244 4.929 -4.801 1.00 0.00 N ATOM 1639 CA LEU 2 52 -6.590 3.632 -5.359 1.00 0.00 C ATOM 1640 C LEU 2 52 -5.375 2.707 -5.278 1.00 0.00 C ATOM 1641 O LEU 2 52 -5.154 1.887 -6.168 1.00 0.00 O ATOM 1642 CB LEU 2 52 -7.151 3.788 -6.773 1.00 0.00 C ATOM 1643 CG LEU 2 52 -6.174 3.512 -7.917 1.00 0.00 C ATOM 1644 CD1 LEU 2 52 -6.700 4.078 -9.236 1.00 0.00 C ATOM 1645 CD2 LEU 2 52 -4.776 4.038 -7.583 1.00 0.00 C ATOM 0 H LEU 2 52 -5.794 5.568 -5.456 1.00 0.00 H new ATOM 0 HA LEU 2 52 -7.385 3.167 -4.776 1.00 0.00 H new ATOM 0 HB2 LEU 2 52 -8.004 3.117 -6.880 1.00 0.00 H new ATOM 0 HB3 LEU 2 52 -7.529 4.804 -6.882 1.00 0.00 H new ATOM 0 HG LEU 2 52 -6.090 2.432 -8.042 1.00 0.00 H new ATOM 0 HD11 LEU 2 52 -5.986 3.868 -10.033 1.00 0.00 H new ATOM 0 HD12 LEU 2 52 -7.657 3.614 -9.475 1.00 0.00 H new ATOM 0 HD13 LEU 2 52 -6.832 5.156 -9.142 1.00 0.00 H new ATOM 0 HD21 LEU 2 52 -4.101 3.829 -8.413 1.00 0.00 H new ATOM 0 HD22 LEU 2 52 -4.823 5.114 -7.415 1.00 0.00 H new ATOM 0 HD23 LEU 2 52 -4.408 3.546 -6.683 1.00 0.00 H new ATOM 1657 N GLN 2 53 -4.618 2.868 -4.203 1.00 0.00 N ATOM 1658 CA GLN 2 53 -3.430 2.058 -3.995 1.00 0.00 C ATOM 1659 C GLN 2 53 -3.780 0.570 -4.083 1.00 0.00 C ATOM 1660 O GLN 2 53 -2.902 -0.267 -4.291 1.00 0.00 O ATOM 1661 CB GLN 2 53 -2.770 2.386 -2.655 1.00 0.00 C ATOM 1662 CG GLN 2 53 -2.313 3.846 -2.612 1.00 0.00 C ATOM 1663 CD GLN 2 53 -1.387 4.165 -3.787 1.00 0.00 C ATOM 1664 OE1 GLN 2 53 -0.188 3.942 -3.746 1.00 0.00 O ATOM 1665 NE2 GLN 2 53 -2.009 4.698 -4.835 1.00 0.00 N ATOM 0 H GLN 2 53 -4.804 3.548 -3.466 1.00 0.00 H new ATOM 0 HA GLN 2 53 -2.713 2.291 -4.783 1.00 0.00 H new ATOM 0 HB2 GLN 2 53 -3.473 2.197 -1.843 1.00 0.00 H new ATOM 0 HB3 GLN 2 53 -1.915 1.729 -2.496 1.00 0.00 H new ATOM 0 HG2 GLN 2 53 -3.182 4.504 -2.640 1.00 0.00 H new ATOM 0 HG3 GLN 2 53 -1.795 4.041 -1.673 1.00 0.00 H new ATOM 0 HE21 GLN 2 53 -3.016 4.858 -4.803 1.00 0.00 H new ATOM 0 HE22 GLN 2 53 -1.479 4.946 -5.670 1.00 0.00 H new ATOM 1674 N GLU 2 54 -5.064 0.288 -3.922 1.00 0.00 N ATOM 1675 CA GLU 2 54 -5.541 -1.084 -3.982 1.00 0.00 C ATOM 1676 C GLU 2 54 -4.912 -1.815 -5.170 1.00 0.00 C ATOM 1677 O GLU 2 54 -4.878 -3.043 -5.201 1.00 0.00 O ATOM 1678 CB GLU 2 54 -7.069 -1.130 -4.056 1.00 0.00 C ATOM 1679 CG GLU 2 54 -7.574 -0.475 -5.343 1.00 0.00 C ATOM 1680 CD GLU 2 54 -8.581 -1.377 -6.060 1.00 0.00 C ATOM 1681 OE1 GLU 2 54 -8.116 -2.250 -6.824 1.00 0.00 O ATOM 1682 OE2 GLU 2 54 -9.792 -1.173 -5.828 1.00 0.00 O ATOM 0 H GLU 2 54 -5.789 0.985 -3.750 1.00 0.00 H new ATOM 0 HA GLU 2 54 -5.238 -1.593 -3.067 1.00 0.00 H new ATOM 0 HB2 GLU 2 54 -7.408 -2.165 -4.013 1.00 0.00 H new ATOM 0 HB3 GLU 2 54 -7.494 -0.619 -3.192 1.00 0.00 H new ATOM 0 HG2 GLU 2 54 -8.040 0.482 -5.109 1.00 0.00 H new ATOM 0 HG3 GLU 2 54 -6.732 -0.267 -6.004 1.00 0.00 H new ATOM 1689 N ALA 2 55 -4.427 -1.027 -6.118 1.00 0.00 N ATOM 1690 CA ALA 2 55 -3.801 -1.583 -7.306 1.00 0.00 C ATOM 1691 C ALA 2 55 -3.066 -2.872 -6.932 1.00 0.00 C ATOM 1692 O ALA 2 55 -3.411 -3.950 -7.416 1.00 0.00 O ATOM 1693 CB ALA 2 55 -2.870 -0.539 -7.928 1.00 0.00 C ATOM 0 H ALA 2 55 -4.455 -0.008 -6.088 1.00 0.00 H new ATOM 0 HA ALA 2 55 -4.552 -1.837 -8.054 1.00 0.00 H new ATOM 0 HB1 ALA 2 55 -2.400 -0.955 -8.819 1.00 0.00 H new ATOM 0 HB2 ALA 2 55 -3.446 0.345 -8.201 1.00 0.00 H new ATOM 0 HB3 ALA 2 55 -2.100 -0.263 -7.207 1.00 0.00 H new ATOM 1699 N GLU 2 56 -2.067 -2.719 -6.076 1.00 0.00 N ATOM 1700 CA GLU 2 56 -1.280 -3.857 -5.632 1.00 0.00 C ATOM 1701 C GLU 2 56 -0.867 -3.680 -4.170 1.00 0.00 C ATOM 1702 O GLU 2 56 0.035 -4.362 -3.688 1.00 0.00 O ATOM 1703 CB GLU 2 56 -0.056 -4.059 -6.526 1.00 0.00 C ATOM 1704 CG GLU 2 56 -0.364 -5.034 -7.665 1.00 0.00 C ATOM 1705 CD GLU 2 56 0.630 -4.863 -8.817 1.00 0.00 C ATOM 1706 OE1 GLU 2 56 0.766 -3.712 -9.283 1.00 0.00 O ATOM 1707 OE2 GLU 2 56 1.231 -5.889 -9.204 1.00 0.00 O ATOM 0 H GLU 2 56 -1.784 -1.824 -5.678 1.00 0.00 H new ATOM 0 HA GLU 2 56 -1.897 -4.752 -5.709 1.00 0.00 H new ATOM 0 HB2 GLU 2 56 0.260 -3.101 -6.938 1.00 0.00 H new ATOM 0 HB3 GLU 2 56 0.774 -4.439 -5.931 1.00 0.00 H new ATOM 0 HG2 GLU 2 56 -0.323 -6.058 -7.293 1.00 0.00 H new ATOM 0 HG3 GLU 2 56 -1.378 -4.867 -8.027 1.00 0.00 H new ATOM 1714 N CYS 2 57 -1.549 -2.759 -3.504 1.00 0.00 N ATOM 1715 CA CYS 2 57 -1.265 -2.484 -2.105 1.00 0.00 C ATOM 1716 C CYS 2 57 -2.218 -3.317 -1.248 1.00 0.00 C ATOM 1717 O CYS 2 57 -1.780 -4.078 -0.385 1.00 0.00 O ATOM 1718 CB CYS 2 57 -1.372 -0.990 -1.790 1.00 0.00 C ATOM 1719 SG CYS 2 57 0.064 -0.291 -0.896 1.00 0.00 S ATOM 0 H CYS 2 57 -2.297 -2.194 -3.907 1.00 0.00 H new ATOM 0 HA CYS 2 57 -0.236 -2.764 -1.878 1.00 0.00 H new ATOM 0 HB2 CYS 2 57 -1.502 -0.444 -2.725 1.00 0.00 H new ATOM 0 HB3 CYS 2 57 -2.270 -0.822 -1.195 1.00 0.00 H new ATOM 1724 N THR 2 58 -3.505 -3.148 -1.513 1.00 0.00 N ATOM 1725 CA THR 2 58 -4.524 -3.876 -0.777 1.00 0.00 C ATOM 1726 C THR 2 58 -4.412 -5.375 -1.052 1.00 0.00 C ATOM 1727 O THR 2 58 -4.605 -6.192 -0.152 1.00 0.00 O ATOM 1728 CB THR 2 58 -5.887 -3.289 -1.151 1.00 0.00 C ATOM 1729 OG1 THR 2 58 -6.735 -3.664 -0.069 1.00 0.00 O ATOM 1730 CG2 THR 2 58 -6.507 -3.979 -2.367 1.00 0.00 C ATOM 0 H THR 2 58 -3.866 -2.517 -2.228 1.00 0.00 H new ATOM 0 HA THR 2 58 -4.390 -3.765 0.299 1.00 0.00 H new ATOM 0 HB THR 2 58 -5.780 -2.223 -1.354 1.00 0.00 H new ATOM 0 HG1 THR 2 58 -7.640 -3.322 -0.229 1.00 0.00 H new ATOM 0 HG21 THR 2 58 -7.472 -3.525 -2.590 1.00 0.00 H new ATOM 0 HG22 THR 2 58 -5.846 -3.866 -3.226 1.00 0.00 H new ATOM 0 HG23 THR 2 58 -6.645 -5.039 -2.153 1.00 0.00 H new ATOM 1738 N PHE 2 59 -4.101 -5.694 -2.300 1.00 0.00 N ATOM 1739 CA PHE 2 59 -3.961 -7.083 -2.706 1.00 0.00 C ATOM 1740 C PHE 2 59 -3.428 -7.939 -1.555 1.00 0.00 C ATOM 1741 O PHE 2 59 -2.480 -8.703 -1.733 1.00 0.00 O ATOM 1742 CB PHE 2 59 -2.955 -7.113 -3.858 1.00 0.00 C ATOM 1743 CG PHE 2 59 -3.373 -8.008 -5.026 1.00 0.00 C ATOM 1744 CD1 PHE 2 59 -3.330 -9.361 -4.895 1.00 0.00 C ATOM 1745 CD2 PHE 2 59 -3.787 -7.451 -6.195 1.00 0.00 C ATOM 1746 CE1 PHE 2 59 -3.718 -10.192 -5.979 1.00 0.00 C ATOM 1747 CE2 PHE 2 59 -4.176 -8.281 -7.279 1.00 0.00 C ATOM 1748 CZ PHE 2 59 -4.132 -9.635 -7.149 1.00 0.00 C ATOM 0 H PHE 2 59 -3.942 -5.014 -3.044 1.00 0.00 H new ATOM 0 HA PHE 2 59 -4.930 -7.484 -3.003 1.00 0.00 H new ATOM 0 HB2 PHE 2 59 -2.809 -6.097 -4.226 1.00 0.00 H new ATOM 0 HB3 PHE 2 59 -1.993 -7.455 -3.478 1.00 0.00 H new ATOM 0 HD1 PHE 2 59 -3.001 -9.803 -3.966 1.00 0.00 H new ATOM 0 HD2 PHE 2 59 -3.820 -6.377 -6.299 1.00 0.00 H new ATOM 0 HE1 PHE 2 59 -3.684 -11.266 -5.875 1.00 0.00 H new ATOM 0 HE2 PHE 2 59 -4.507 -7.838 -8.207 1.00 0.00 H new ATOM 0 HZ PHE 2 59 -4.426 -10.267 -7.974 1.00 0.00 H new