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 Set 1.1: 1 23 TYR OH : rot -150:sc= -1.93 USER MOD Set 1.2: 2 23 TYR OH : rot -177:sc= -1.93 USER MOD Single : 1 25 HIS : no HD1:sc= -0.243 X(o=-0.24,f=-0.16) USER MOD Single : 1 27 THR OG1 : rot 59:sc= 0.00496 USER MOD Single : 1 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 32 ASN :FLIP amide:sc= -0.311 F(o=-2.2,f=-0.31) USER MOD Single : 1 33 ASN : amide:sc= -0.0751 K(o=-0.075,f=-1.7!) USER MOD Single : 1 37 CYS SG : rot 180:sc= -0.12 USER MOD Single : 1 40 SER OG : rot 114:sc= 0.904 USER MOD Single : 1 50 LYS NZ :NH3+ -157:sc= -1.12 (180deg=-1.91) USER MOD Single : 1 53 GLN : amide:sc= -11.7! C(o=-12!,f=-18!) USER MOD Single : 1 58 THR OG1 : rot 180:sc= -1.28 USER MOD Single : 2 25 HIS : no HD1:sc= -0.471 X(o=-0.47,f=-0.5) USER MOD Single : 2 27 THR OG1 : rot 58:sc= 0.0138 USER MOD Single : 2 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 2 32 ASN :FLIP amide:sc= -0.119 F(o=-1.5,f=-0.12) USER MOD Single : 2 33 ASN : amide:sc= -0.24 K(o=-0.24,f=-2.5!) USER MOD Single : 2 37 CYS SG : rot 180:sc= -0.131 USER MOD Single : 2 40 SER OG : rot -170:sc= -0.139 USER MOD Single : 2 50 LYS NZ :NH3+ -156:sc= -1.76 (180deg=-2.35!) USER MOD Single : 2 53 GLN : amide:sc= -12.4! C(o=-12!,f=-19!) USER MOD Single : 2 58 THR OG1 : rot 180:sc= -1.07 USER MOD ----------------------------------------------------------------- ATOM 228 N ASP 1 17 2.267 -16.741 -1.677 1.00 0.00 N ATOM 229 CA ASP 1 17 1.245 -16.113 -2.497 1.00 0.00 C ATOM 230 C ASP 1 17 1.349 -14.593 -2.360 1.00 0.00 C ATOM 231 O ASP 1 17 0.422 -13.868 -2.721 1.00 0.00 O ATOM 232 CB ASP 1 17 -0.157 -16.533 -2.049 1.00 0.00 C ATOM 233 CG ASP 1 17 -1.262 -16.307 -3.083 1.00 0.00 C ATOM 234 OD1 ASP 1 17 -0.901 -16.056 -4.253 1.00 0.00 O ATOM 235 OD2 ASP 1 17 -2.441 -16.389 -2.680 1.00 0.00 O ATOM 0 HA ASP 1 17 1.403 -16.426 -3.529 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 -0.136 -17.591 -1.787 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 -0.412 -15.985 -1.142 1.00 0.00 H new ATOM 240 N ARG 1 18 2.484 -14.155 -1.837 1.00 0.00 N ATOM 241 CA ARG 1 18 2.723 -12.734 -1.647 1.00 0.00 C ATOM 242 C ARG 1 18 3.381 -12.135 -2.891 1.00 0.00 C ATOM 243 O ARG 1 18 3.762 -12.862 -3.807 1.00 0.00 O ATOM 244 CB ARG 1 18 3.618 -12.483 -0.433 1.00 0.00 C ATOM 245 CG ARG 1 18 3.088 -13.214 0.802 1.00 0.00 C ATOM 246 CD ARG 1 18 4.233 -13.831 1.608 1.00 0.00 C ATOM 247 NE ARG 1 18 3.720 -14.368 2.887 1.00 0.00 N ATOM 248 CZ ARG 1 18 4.492 -14.666 3.941 1.00 0.00 C ATOM 249 NH1 ARG 1 18 5.818 -14.482 3.873 1.00 0.00 N ATOM 250 NH2 ARG 1 18 3.939 -15.148 5.063 1.00 0.00 N ATOM 0 H ARG 1 18 3.249 -14.759 -1.538 1.00 0.00 H new ATOM 0 HA ARG 1 18 1.758 -12.256 -1.477 1.00 0.00 H new ATOM 0 HB2 ARG 1 18 4.633 -12.817 -0.650 1.00 0.00 H new ATOM 0 HB3 ARG 1 18 3.671 -11.413 -0.231 1.00 0.00 H new ATOM 0 HG2 ARG 1 18 2.531 -12.518 1.429 1.00 0.00 H new ATOM 0 HG3 ARG 1 18 2.392 -13.995 0.496 1.00 0.00 H new ATOM 0 HD2 ARG 1 18 4.705 -14.628 1.033 1.00 0.00 H new ATOM 0 HD3 ARG 1 18 4.999 -13.080 1.801 1.00 0.00 H new ATOM 0 HE ARG 1 18 2.715 -14.521 2.972 1.00 0.00 H new ATOM 0 HH11 ARG 1 18 6.239 -14.115 3.019 1.00 0.00 H new ATOM 0 HH12 ARG 1 18 6.406 -14.709 4.675 1.00 0.00 H new ATOM 0 HH21 ARG 1 18 2.930 -15.288 5.115 1.00 0.00 H new ATOM 0 HH22 ARG 1 18 4.527 -15.375 5.865 1.00 0.00 H new ATOM 264 N VAL 1 19 3.494 -10.815 -2.884 1.00 0.00 N ATOM 265 CA VAL 1 19 4.100 -10.110 -4.001 1.00 0.00 C ATOM 266 C VAL 1 19 5.534 -9.722 -3.636 1.00 0.00 C ATOM 267 O VAL 1 19 6.124 -8.847 -4.269 1.00 0.00 O ATOM 268 CB VAL 1 19 3.236 -8.910 -4.393 1.00 0.00 C ATOM 269 CG1 VAL 1 19 3.624 -8.383 -5.776 1.00 0.00 C ATOM 270 CG2 VAL 1 19 1.749 -9.263 -4.337 1.00 0.00 C ATOM 0 H VAL 1 19 3.176 -10.215 -2.123 1.00 0.00 H new ATOM 0 HA VAL 1 19 4.152 -10.756 -4.878 1.00 0.00 H new ATOM 0 HB VAL 1 19 3.418 -8.116 -3.669 1.00 0.00 H new ATOM 0 HG11 VAL 1 19 2.994 -7.530 -6.030 1.00 0.00 H new ATOM 0 HG12 VAL 1 19 4.669 -8.073 -5.767 1.00 0.00 H new ATOM 0 HG13 VAL 1 19 3.485 -9.170 -6.517 1.00 0.00 H new ATOM 0 HG21 VAL 1 19 1.157 -8.392 -4.620 1.00 0.00 H new ATOM 0 HG22 VAL 1 19 1.543 -10.082 -5.027 1.00 0.00 H new ATOM 0 HG23 VAL 1 19 1.485 -9.567 -3.324 1.00 0.00 H new ATOM 280 N ASP 1 20 6.053 -10.389 -2.617 1.00 0.00 N ATOM 281 CA ASP 1 20 7.407 -10.125 -2.159 1.00 0.00 C ATOM 282 C ASP 1 20 7.729 -8.643 -2.366 1.00 0.00 C ATOM 283 O ASP 1 20 8.269 -8.260 -3.403 1.00 0.00 O ATOM 284 CB ASP 1 20 8.426 -10.946 -2.952 1.00 0.00 C ATOM 285 CG ASP 1 20 9.820 -10.325 -3.050 1.00 0.00 C ATOM 286 OD1 ASP 1 20 10.564 -10.439 -2.052 1.00 0.00 O ATOM 287 OD2 ASP 1 20 10.112 -9.750 -4.121 1.00 0.00 O ATOM 0 H ASP 1 20 5.560 -11.113 -2.094 1.00 0.00 H new ATOM 0 HA ASP 1 20 7.467 -10.397 -1.105 1.00 0.00 H new ATOM 0 HB2 ASP 1 20 8.515 -11.930 -2.492 1.00 0.00 H new ATOM 0 HB3 ASP 1 20 8.041 -11.099 -3.960 1.00 0.00 H new ATOM 292 N CYS 1 21 7.386 -7.851 -1.362 1.00 0.00 N ATOM 293 CA CYS 1 21 7.632 -6.420 -1.420 1.00 0.00 C ATOM 294 C CYS 1 21 9.088 -6.200 -1.835 1.00 0.00 C ATOM 295 O CYS 1 21 9.392 -5.268 -2.577 1.00 0.00 O ATOM 296 CB CYS 1 21 7.307 -5.735 -0.091 1.00 0.00 C ATOM 297 SG CYS 1 21 6.436 -4.134 -0.245 1.00 0.00 S ATOM 0 H CYS 1 21 6.940 -8.173 -0.503 1.00 0.00 H new ATOM 0 HA CYS 1 21 6.972 -5.965 -2.158 1.00 0.00 H new ATOM 0 HB2 CYS 1 21 6.695 -6.409 0.509 1.00 0.00 H new ATOM 0 HB3 CYS 1 21 8.236 -5.576 0.456 1.00 0.00 H new ATOM 302 N GLY 1 22 9.950 -7.073 -1.336 1.00 0.00 N ATOM 303 CA GLY 1 22 11.367 -6.986 -1.645 1.00 0.00 C ATOM 304 C GLY 1 22 11.878 -5.554 -1.474 1.00 0.00 C ATOM 305 O GLY 1 22 12.319 -4.930 -2.438 1.00 0.00 O ATOM 0 H GLY 1 22 9.695 -7.844 -0.720 1.00 0.00 H new ATOM 0 HA2 GLY 1 22 11.927 -7.656 -0.993 1.00 0.00 H new ATOM 0 HA3 GLY 1 22 11.541 -7.318 -2.668 1.00 0.00 H new ATOM 309 N TYR 1 23 11.804 -5.075 -0.241 1.00 0.00 N ATOM 310 CA TYR 1 23 12.253 -3.729 0.068 1.00 0.00 C ATOM 311 C TYR 1 23 13.716 -3.729 0.516 1.00 0.00 C ATOM 312 O TYR 1 23 14.167 -4.664 1.177 1.00 0.00 O ATOM 313 CB TYR 1 23 11.377 -3.247 1.226 1.00 0.00 C ATOM 314 CG TYR 1 23 10.396 -2.137 0.845 1.00 0.00 C ATOM 315 CD1 TYR 1 23 10.799 -0.817 0.885 1.00 0.00 C ATOM 316 CD2 TYR 1 23 9.110 -2.455 0.461 1.00 0.00 C ATOM 317 CE1 TYR 1 23 9.875 0.228 0.526 1.00 0.00 C ATOM 318 CE2 TYR 1 23 8.186 -1.410 0.101 1.00 0.00 C ATOM 319 CZ TYR 1 23 8.615 -0.120 0.151 1.00 0.00 C ATOM 320 OH TYR 1 23 7.743 0.867 -0.187 1.00 0.00 O ATOM 0 H TYR 1 23 11.439 -5.596 0.556 1.00 0.00 H new ATOM 0 HA TYR 1 23 12.175 -3.087 -0.810 1.00 0.00 H new ATOM 0 HB2 TYR 1 23 10.816 -4.094 1.620 1.00 0.00 H new ATOM 0 HB3 TYR 1 23 12.020 -2.889 2.030 1.00 0.00 H new ATOM 0 HD1 TYR 1 23 11.806 -0.568 1.185 1.00 0.00 H new ATOM 0 HD2 TYR 1 23 8.796 -3.488 0.430 1.00 0.00 H new ATOM 0 HE1 TYR 1 23 10.176 1.265 0.554 1.00 0.00 H new ATOM 0 HE2 TYR 1 23 7.176 -1.645 -0.202 1.00 0.00 H new ATOM 0 HH TYR 1 23 6.830 0.585 0.029 1.00 0.00 H new ATOM 330 N PRO 1 24 14.435 -2.642 0.130 1.00 0.00 N ATOM 331 CA PRO 1 24 15.838 -2.507 0.485 1.00 0.00 C ATOM 332 C PRO 1 24 15.996 -2.131 1.959 1.00 0.00 C ATOM 333 O PRO 1 24 17.109 -2.116 2.484 1.00 0.00 O ATOM 334 CB PRO 1 24 16.383 -1.448 -0.461 1.00 0.00 C ATOM 335 CG PRO 1 24 15.172 -0.699 -0.991 1.00 0.00 C ATOM 336 CD PRO 1 24 13.934 -1.515 -0.652 1.00 0.00 C ATOM 0 HA PRO 1 24 16.391 -3.440 0.378 1.00 0.00 H new ATOM 0 HB2 PRO 1 24 17.063 -0.773 0.059 1.00 0.00 H new ATOM 0 HB3 PRO 1 24 16.947 -1.904 -1.275 1.00 0.00 H new ATOM 0 HG2 PRO 1 24 15.110 0.293 -0.543 1.00 0.00 H new ATOM 0 HG3 PRO 1 24 15.252 -0.557 -2.069 1.00 0.00 H new ATOM 0 HD2 PRO 1 24 13.215 -0.926 -0.082 1.00 0.00 H new ATOM 0 HD3 PRO 1 24 13.424 -1.854 -1.554 1.00 0.00 H new ATOM 344 N HIS 1 25 14.867 -1.836 2.587 1.00 0.00 N ATOM 345 CA HIS 1 25 14.867 -1.461 3.990 1.00 0.00 C ATOM 346 C HIS 1 25 13.932 -2.388 4.770 1.00 0.00 C ATOM 347 O HIS 1 25 13.540 -2.078 5.894 1.00 0.00 O ATOM 348 CB HIS 1 25 14.512 0.017 4.158 1.00 0.00 C ATOM 349 CG HIS 1 25 15.349 0.739 5.186 1.00 0.00 C ATOM 350 ND1 HIS 1 25 15.453 2.118 5.235 1.00 0.00 N ATOM 351 CD2 HIS 1 25 16.121 0.258 6.203 1.00 0.00 C ATOM 352 CE1 HIS 1 25 16.254 2.442 6.239 1.00 0.00 C ATOM 353 NE2 HIS 1 25 16.667 1.288 6.838 1.00 0.00 N ATOM 0 H HIS 1 25 13.946 -1.849 2.149 1.00 0.00 H new ATOM 0 HA HIS 1 25 15.869 -1.583 4.402 1.00 0.00 H new ATOM 0 HB2 HIS 1 25 14.625 0.518 3.197 1.00 0.00 H new ATOM 0 HB3 HIS 1 25 13.462 0.098 4.439 1.00 0.00 H new ATOM 0 HD2 HIS 1 25 16.264 -0.784 6.450 1.00 0.00 H new ATOM 0 HE1 HIS 1 25 16.531 3.444 6.532 1.00 0.00 H new ATOM 0 HE2 HIS 1 25 17.292 1.227 7.641 1.00 0.00 H new ATOM 362 N VAL 1 26 13.601 -3.506 4.140 1.00 0.00 N ATOM 363 CA VAL 1 26 12.719 -4.480 4.760 1.00 0.00 C ATOM 364 C VAL 1 26 13.050 -4.586 6.250 1.00 0.00 C ATOM 365 O VAL 1 26 14.205 -4.793 6.619 1.00 0.00 O ATOM 366 CB VAL 1 26 12.821 -5.820 4.028 1.00 0.00 C ATOM 367 CG1 VAL 1 26 14.282 -6.202 3.785 1.00 0.00 C ATOM 368 CG2 VAL 1 26 12.086 -6.921 4.794 1.00 0.00 C ATOM 0 H VAL 1 26 13.928 -3.759 3.207 1.00 0.00 H new ATOM 0 HA VAL 1 26 11.680 -4.160 4.680 1.00 0.00 H new ATOM 0 HB VAL 1 26 12.338 -5.709 3.057 1.00 0.00 H new ATOM 0 HG11 VAL 1 26 14.326 -7.158 3.263 1.00 0.00 H new ATOM 0 HG12 VAL 1 26 14.763 -5.435 3.178 1.00 0.00 H new ATOM 0 HG13 VAL 1 26 14.800 -6.286 4.740 1.00 0.00 H new ATOM 0 HG21 VAL 1 26 12.174 -7.863 4.252 1.00 0.00 H new ATOM 0 HG22 VAL 1 26 12.526 -7.030 5.785 1.00 0.00 H new ATOM 0 HG23 VAL 1 26 11.033 -6.656 4.891 1.00 0.00 H new ATOM 378 N THR 1 27 12.017 -4.440 7.066 1.00 0.00 N ATOM 379 CA THR 1 27 12.184 -4.518 8.507 1.00 0.00 C ATOM 380 C THR 1 27 10.822 -4.631 9.196 1.00 0.00 C ATOM 381 O THR 1 27 9.811 -4.180 8.660 1.00 0.00 O ATOM 382 CB THR 1 27 12.993 -3.299 8.955 1.00 0.00 C ATOM 383 OG1 THR 1 27 14.155 -3.858 9.561 1.00 0.00 O ATOM 384 CG2 THR 1 27 12.314 -2.531 10.091 1.00 0.00 C ATOM 0 H THR 1 27 11.060 -4.268 6.756 1.00 0.00 H new ATOM 0 HA THR 1 27 12.734 -5.414 8.794 1.00 0.00 H new ATOM 0 HB THR 1 27 13.145 -2.632 8.106 1.00 0.00 H new ATOM 0 HG1 THR 1 27 14.633 -4.408 8.906 1.00 0.00 H new ATOM 0 HG21 THR 1 27 12.929 -1.676 10.371 1.00 0.00 H new ATOM 0 HG22 THR 1 27 11.336 -2.181 9.760 1.00 0.00 H new ATOM 0 HG23 THR 1 27 12.192 -3.188 10.952 1.00 0.00 H new ATOM 392 N PRO 1 28 10.841 -5.250 10.407 1.00 0.00 N ATOM 393 CA PRO 1 28 9.621 -5.428 11.176 1.00 0.00 C ATOM 394 C PRO 1 28 9.180 -4.111 11.817 1.00 0.00 C ATOM 395 O PRO 1 28 8.929 -4.055 13.021 1.00 0.00 O ATOM 396 CB PRO 1 28 9.952 -6.505 12.196 1.00 0.00 C ATOM 397 CG PRO 1 28 11.469 -6.559 12.267 1.00 0.00 C ATOM 398 CD PRO 1 28 12.019 -5.797 11.074 1.00 0.00 C ATOM 0 HA PRO 1 28 8.775 -5.730 10.559 1.00 0.00 H new ATOM 0 HB2 PRO 1 28 9.524 -6.266 13.169 1.00 0.00 H new ATOM 0 HB3 PRO 1 28 9.541 -7.468 11.895 1.00 0.00 H new ATOM 0 HG2 PRO 1 28 11.823 -6.117 13.198 1.00 0.00 H new ATOM 0 HG3 PRO 1 28 11.815 -7.592 12.252 1.00 0.00 H new ATOM 0 HD2 PRO 1 28 12.699 -5.005 11.389 1.00 0.00 H new ATOM 0 HD3 PRO 1 28 12.581 -6.454 10.410 1.00 0.00 H new ATOM 406 N LYS 1 29 9.101 -3.082 10.986 1.00 0.00 N ATOM 407 CA LYS 1 29 8.696 -1.769 11.459 1.00 0.00 C ATOM 408 C LYS 1 29 8.694 -0.788 10.285 1.00 0.00 C ATOM 409 O LYS 1 29 8.012 0.235 10.326 1.00 0.00 O ATOM 410 CB LYS 1 29 9.574 -1.325 12.630 1.00 0.00 C ATOM 411 CG LYS 1 29 8.853 -0.289 13.494 1.00 0.00 C ATOM 412 CD LYS 1 29 8.512 -0.864 14.870 1.00 0.00 C ATOM 413 CE LYS 1 29 8.779 0.160 15.974 1.00 0.00 C ATOM 414 NZ LYS 1 29 7.509 0.747 16.456 1.00 0.00 N ATOM 0 H LYS 1 29 9.310 -3.131 9.989 1.00 0.00 H new ATOM 0 HA LYS 1 29 7.679 -1.802 11.850 1.00 0.00 H new ATOM 0 HB2 LYS 1 29 9.840 -2.190 13.238 1.00 0.00 H new ATOM 0 HB3 LYS 1 29 10.505 -0.903 12.252 1.00 0.00 H new ATOM 0 HG2 LYS 1 29 9.482 0.594 13.610 1.00 0.00 H new ATOM 0 HG3 LYS 1 29 7.940 0.034 12.994 1.00 0.00 H new ATOM 0 HD2 LYS 1 29 7.464 -1.164 14.893 1.00 0.00 H new ATOM 0 HD3 LYS 1 29 9.104 -1.761 15.050 1.00 0.00 H new ATOM 0 HE2 LYS 1 29 9.303 -0.318 16.802 1.00 0.00 H new ATOM 0 HE3 LYS 1 29 9.431 0.948 15.597 1.00 0.00 H new ATOM 0 HZ1 LYS 1 29 7.709 1.440 17.205 1.00 0.00 H new ATOM 0 HZ2 LYS 1 29 7.024 1.220 15.667 1.00 0.00 H new ATOM 0 HZ3 LYS 1 29 6.900 -0.006 16.835 1.00 0.00 H new ATOM 428 N GLU 1 30 9.466 -1.134 9.264 1.00 0.00 N ATOM 429 CA GLU 1 30 9.563 -0.296 8.081 1.00 0.00 C ATOM 430 C GLU 1 30 8.599 -0.791 7.001 1.00 0.00 C ATOM 431 O GLU 1 30 7.900 0.005 6.376 1.00 0.00 O ATOM 432 CB GLU 1 30 11.000 -0.253 7.556 1.00 0.00 C ATOM 433 CG GLU 1 30 11.681 1.064 7.930 1.00 0.00 C ATOM 434 CD GLU 1 30 12.534 0.901 9.190 1.00 0.00 C ATOM 435 OE1 GLU 1 30 13.690 0.449 9.039 1.00 0.00 O ATOM 436 OE2 GLU 1 30 12.012 1.234 10.276 1.00 0.00 O ATOM 0 H GLU 1 30 10.030 -1.983 9.232 1.00 0.00 H new ATOM 0 HA GLU 1 30 9.281 0.721 8.355 1.00 0.00 H new ATOM 0 HB2 GLU 1 30 11.566 -1.089 7.967 1.00 0.00 H new ATOM 0 HB3 GLU 1 30 10.999 -0.371 6.472 1.00 0.00 H new ATOM 0 HG2 GLU 1 30 12.307 1.401 7.104 1.00 0.00 H new ATOM 0 HG3 GLU 1 30 10.927 1.834 8.094 1.00 0.00 H new ATOM 443 N CYS 1 31 8.591 -2.103 6.814 1.00 0.00 N ATOM 444 CA CYS 1 31 7.724 -2.712 5.820 1.00 0.00 C ATOM 445 C CYS 1 31 6.283 -2.299 6.122 1.00 0.00 C ATOM 446 O CYS 1 31 5.572 -1.821 5.240 1.00 0.00 O ATOM 447 CB CYS 1 31 7.887 -4.233 5.785 1.00 0.00 C ATOM 448 SG CYS 1 31 9.367 -4.827 4.887 1.00 0.00 S ATOM 0 H CYS 1 31 9.171 -2.761 7.334 1.00 0.00 H new ATOM 0 HA CYS 1 31 8.001 -2.359 4.826 1.00 0.00 H new ATOM 0 HB2 CYS 1 31 7.928 -4.603 6.809 1.00 0.00 H new ATOM 0 HB3 CYS 1 31 7.001 -4.669 5.324 1.00 0.00 H new ATOM 453 N ASN 1 32 5.893 -2.498 7.373 1.00 0.00 N ATOM 454 CA ASN 1 32 4.550 -2.152 7.803 1.00 0.00 C ATOM 455 C ASN 1 32 4.394 -0.630 7.802 1.00 0.00 C ATOM 456 O ASN 1 32 3.323 -0.111 8.111 1.00 0.00 O ATOM 457 CB ASN 1 32 4.279 -2.653 9.222 1.00 0.00 C ATOM 458 CG ASN 1 32 3.479 -3.958 9.200 1.00 0.00 C ATOM 459 OD1 ASN 1 32 4.093 -4.958 8.575 1.00 0.00 O flip ATOM 460 ND2 ASN 1 32 2.377 -4.049 9.717 1.00 0.00 N flip ATOM 0 H ASN 1 32 6.485 -2.895 8.103 1.00 0.00 H new ATOM 0 HA ASN 1 32 3.846 -2.620 7.115 1.00 0.00 H new ATOM 0 HB2 ASN 1 32 5.224 -2.810 9.743 1.00 0.00 H new ATOM 0 HB3 ASN 1 32 3.730 -1.895 9.780 1.00 0.00 H new ATOM 0 HD21 ASN 1 32 1.963 -3.241 10.181 1.00 0.00 H new ATOM 0 HD22 ASN 1 32 1.870 -4.933 9.685 1.00 0.00 H new ATOM 467 N ASN 1 33 5.480 0.044 7.449 1.00 0.00 N ATOM 468 CA ASN 1 33 5.477 1.496 7.403 1.00 0.00 C ATOM 469 C ASN 1 33 5.460 1.955 5.944 1.00 0.00 C ATOM 470 O ASN 1 33 4.935 3.023 5.632 1.00 0.00 O ATOM 471 CB ASN 1 33 6.732 2.070 8.065 1.00 0.00 C ATOM 472 CG ASN 1 33 6.522 3.532 8.463 1.00 0.00 C ATOM 473 OD1 ASN 1 33 5.408 4.009 8.609 1.00 0.00 O ATOM 474 ND2 ASN 1 33 7.651 4.215 8.629 1.00 0.00 N ATOM 0 H ASN 1 33 6.367 -0.389 7.192 1.00 0.00 H new ATOM 0 HA ASN 1 33 4.594 1.849 7.936 1.00 0.00 H new ATOM 0 HB2 ASN 1 33 6.983 1.482 8.947 1.00 0.00 H new ATOM 0 HB3 ASN 1 33 7.576 1.994 7.380 1.00 0.00 H new ATOM 0 HD21 ASN 1 33 7.617 5.199 8.894 1.00 0.00 H new ATOM 0 HD22 ASN 1 33 8.551 3.755 8.491 1.00 0.00 H new ATOM 481 N ARG 1 34 6.042 1.127 5.089 1.00 0.00 N ATOM 482 CA ARG 1 34 6.100 1.435 3.670 1.00 0.00 C ATOM 483 C ARG 1 34 4.795 1.025 2.983 1.00 0.00 C ATOM 484 O ARG 1 34 4.443 1.568 1.938 1.00 0.00 O ATOM 485 CB ARG 1 34 7.270 0.716 2.998 1.00 0.00 C ATOM 486 CG ARG 1 34 8.490 0.672 3.920 1.00 0.00 C ATOM 487 CD ARG 1 34 9.745 1.165 3.196 1.00 0.00 C ATOM 488 NE ARG 1 34 10.540 2.031 4.093 1.00 0.00 N ATOM 489 CZ ARG 1 34 11.739 2.540 3.779 1.00 0.00 C ATOM 490 NH1 ARG 1 34 12.288 2.272 2.586 1.00 0.00 N ATOM 491 NH2 ARG 1 34 12.389 3.316 4.656 1.00 0.00 N ATOM 0 H ARG 1 34 6.478 0.243 5.352 1.00 0.00 H new ATOM 0 HA ARG 1 34 6.244 2.511 3.570 1.00 0.00 H new ATOM 0 HB2 ARG 1 34 6.974 -0.299 2.733 1.00 0.00 H new ATOM 0 HB3 ARG 1 34 7.530 1.225 2.070 1.00 0.00 H new ATOM 0 HG2 ARG 1 34 8.308 1.289 4.800 1.00 0.00 H new ATOM 0 HG3 ARG 1 34 8.647 -0.347 4.273 1.00 0.00 H new ATOM 0 HD2 ARG 1 34 10.345 0.315 2.872 1.00 0.00 H new ATOM 0 HD3 ARG 1 34 9.464 1.717 2.299 1.00 0.00 H new ATOM 0 HE ARG 1 34 10.151 2.255 5.009 1.00 0.00 H new ATOM 0 HH11 ARG 1 34 11.793 1.681 1.918 1.00 0.00 H new ATOM 0 HH12 ARG 1 34 13.201 2.659 2.346 1.00 0.00 H new ATOM 0 HH21 ARG 1 34 11.971 3.520 5.564 1.00 0.00 H new ATOM 0 HH22 ARG 1 34 13.302 3.703 4.416 1.00 0.00 H new ATOM 505 N GLY 1 35 4.115 0.070 3.600 1.00 0.00 N ATOM 506 CA GLY 1 35 2.857 -0.420 3.061 1.00 0.00 C ATOM 507 C GLY 1 35 2.937 -1.917 2.758 1.00 0.00 C ATOM 508 O GLY 1 35 2.219 -2.417 1.893 1.00 0.00 O ATOM 0 H GLY 1 35 4.411 -0.378 4.468 1.00 0.00 H new ATOM 0 HA2 GLY 1 35 2.054 -0.232 3.774 1.00 0.00 H new ATOM 0 HA3 GLY 1 35 2.610 0.126 2.151 1.00 0.00 H new ATOM 512 N CYS 1 36 3.816 -2.590 3.486 1.00 0.00 N ATOM 513 CA CYS 1 36 3.999 -4.021 3.305 1.00 0.00 C ATOM 514 C CYS 1 36 3.679 -4.717 4.629 1.00 0.00 C ATOM 515 O CYS 1 36 3.299 -4.065 5.602 1.00 0.00 O ATOM 516 CB CYS 1 36 5.407 -4.352 2.811 1.00 0.00 C ATOM 517 SG CYS 1 36 6.005 -3.306 1.434 1.00 0.00 S ATOM 0 H CYS 1 36 4.409 -2.171 4.202 1.00 0.00 H new ATOM 0 HA CYS 1 36 3.320 -4.383 2.533 1.00 0.00 H new ATOM 0 HB2 CYS 1 36 6.101 -4.259 3.647 1.00 0.00 H new ATOM 0 HB3 CYS 1 36 5.429 -5.394 2.493 1.00 0.00 H new ATOM 522 N CYS 1 37 3.844 -6.031 4.625 1.00 0.00 N ATOM 523 CA CYS 1 37 3.579 -6.823 5.814 1.00 0.00 C ATOM 524 C CYS 1 37 4.802 -7.697 6.092 1.00 0.00 C ATOM 525 O CYS 1 37 5.242 -8.450 5.223 1.00 0.00 O ATOM 526 CB CYS 1 37 2.303 -7.655 5.666 1.00 0.00 C ATOM 527 SG CYS 1 37 1.466 -8.064 7.242 1.00 0.00 S ATOM 0 H CYS 1 37 4.158 -6.568 3.817 1.00 0.00 H new ATOM 0 HA CYS 1 37 3.407 -6.162 6.664 1.00 0.00 H new ATOM 0 HB2 CYS 1 37 1.604 -7.112 5.030 1.00 0.00 H new ATOM 0 HB3 CYS 1 37 2.549 -8.583 5.150 1.00 0.00 H new ATOM 0 HG CYS 1 37 0.400 -8.766 6.998 1.00 0.00 H new ATOM 532 N PHE 1 38 5.317 -7.572 7.307 1.00 0.00 N ATOM 533 CA PHE 1 38 6.481 -8.342 7.710 1.00 0.00 C ATOM 534 C PHE 1 38 6.067 -9.689 8.308 1.00 0.00 C ATOM 535 O PHE 1 38 5.361 -9.734 9.314 1.00 0.00 O ATOM 536 CB PHE 1 38 7.210 -7.524 8.778 1.00 0.00 C ATOM 537 CG PHE 1 38 8.536 -8.138 9.234 1.00 0.00 C ATOM 538 CD1 PHE 1 38 9.674 -7.892 8.533 1.00 0.00 C ATOM 539 CD2 PHE 1 38 8.575 -8.928 10.339 1.00 0.00 C ATOM 540 CE1 PHE 1 38 10.905 -8.461 8.955 1.00 0.00 C ATOM 541 CE2 PHE 1 38 9.806 -9.497 10.762 1.00 0.00 C ATOM 542 CZ PHE 1 38 10.945 -9.251 10.061 1.00 0.00 C ATOM 0 H PHE 1 38 4.949 -6.948 8.025 1.00 0.00 H new ATOM 0 HA PHE 1 38 7.115 -8.539 6.846 1.00 0.00 H new ATOM 0 HB2 PHE 1 38 7.399 -6.524 8.389 1.00 0.00 H new ATOM 0 HB3 PHE 1 38 6.557 -7.411 9.643 1.00 0.00 H new ATOM 0 HD1 PHE 1 38 9.642 -7.264 7.655 1.00 0.00 H new ATOM 0 HD2 PHE 1 38 7.670 -9.123 10.896 1.00 0.00 H new ATOM 0 HE1 PHE 1 38 11.809 -8.266 8.397 1.00 0.00 H new ATOM 0 HE2 PHE 1 38 9.837 -10.125 11.640 1.00 0.00 H new ATOM 0 HZ PHE 1 38 11.881 -9.683 10.383 1.00 0.00 H new ATOM 552 N ASP 1 39 6.525 -10.752 7.665 1.00 0.00 N ATOM 553 CA ASP 1 39 6.212 -12.095 8.121 1.00 0.00 C ATOM 554 C ASP 1 39 7.275 -12.549 9.124 1.00 0.00 C ATOM 555 O ASP 1 39 7.072 -12.454 10.334 1.00 0.00 O ATOM 556 CB ASP 1 39 6.208 -13.085 6.955 1.00 0.00 C ATOM 557 CG ASP 1 39 6.035 -14.553 7.353 1.00 0.00 C ATOM 558 OD1 ASP 1 39 4.919 -14.891 7.804 1.00 0.00 O ATOM 559 OD2 ASP 1 39 7.023 -15.304 7.200 1.00 0.00 O ATOM 0 H ASP 1 39 7.111 -10.711 6.831 1.00 0.00 H new ATOM 0 HA ASP 1 39 5.223 -12.074 8.580 1.00 0.00 H new ATOM 0 HB2 ASP 1 39 5.405 -12.813 6.270 1.00 0.00 H new ATOM 0 HB3 ASP 1 39 7.144 -12.981 6.406 1.00 0.00 H new ATOM 564 N SER 1 40 8.383 -13.033 8.583 1.00 0.00 N ATOM 565 CA SER 1 40 9.478 -13.502 9.416 1.00 0.00 C ATOM 566 C SER 1 40 9.257 -14.970 9.793 1.00 0.00 C ATOM 567 O SER 1 40 10.185 -15.647 10.233 1.00 0.00 O ATOM 568 CB SER 1 40 9.617 -12.647 10.676 1.00 0.00 C ATOM 569 OG SER 1 40 10.982 -12.393 11.001 1.00 0.00 O ATOM 0 H SER 1 40 8.546 -13.111 7.579 1.00 0.00 H new ATOM 0 HA SER 1 40 10.403 -13.414 8.846 1.00 0.00 H new ATOM 0 HB2 SER 1 40 9.097 -11.700 10.531 1.00 0.00 H new ATOM 0 HB3 SER 1 40 9.133 -13.152 11.512 1.00 0.00 H new ATOM 0 HG SER 1 40 11.171 -11.437 10.894 1.00 0.00 H new ATOM 575 N ARG 1 41 8.024 -15.416 9.607 1.00 0.00 N ATOM 576 CA ARG 1 41 7.670 -16.789 9.921 1.00 0.00 C ATOM 577 C ARG 1 41 8.468 -17.757 9.045 1.00 0.00 C ATOM 578 O ARG 1 41 8.961 -18.775 9.528 1.00 0.00 O ATOM 579 CB ARG 1 41 6.175 -17.036 9.710 1.00 0.00 C ATOM 580 CG ARG 1 41 5.337 -16.124 10.608 1.00 0.00 C ATOM 581 CD ARG 1 41 4.135 -16.877 11.184 1.00 0.00 C ATOM 582 NE ARG 1 41 4.597 -17.944 12.099 1.00 0.00 N ATOM 583 CZ ARG 1 41 3.779 -18.723 12.819 1.00 0.00 C ATOM 584 NH1 ARG 1 41 2.451 -18.557 12.736 1.00 0.00 N ATOM 585 NH2 ARG 1 41 4.287 -19.666 13.623 1.00 0.00 N ATOM 0 H ARG 1 41 7.257 -14.850 9.243 1.00 0.00 H new ATOM 0 HA ARG 1 41 7.910 -16.960 10.970 1.00 0.00 H new ATOM 0 HB2 ARG 1 41 5.918 -16.860 8.666 1.00 0.00 H new ATOM 0 HB3 ARG 1 41 5.941 -18.079 9.925 1.00 0.00 H new ATOM 0 HG2 ARG 1 41 5.954 -15.741 11.421 1.00 0.00 H new ATOM 0 HG3 ARG 1 41 4.991 -15.263 10.037 1.00 0.00 H new ATOM 0 HD2 ARG 1 41 3.484 -16.185 11.718 1.00 0.00 H new ATOM 0 HD3 ARG 1 41 3.545 -17.310 10.376 1.00 0.00 H new ATOM 0 HE ARG 1 41 5.602 -18.096 12.187 1.00 0.00 H new ATOM 0 HH11 ARG 1 41 2.064 -17.838 12.125 1.00 0.00 H new ATOM 0 HH12 ARG 1 41 1.828 -19.150 13.284 1.00 0.00 H new ATOM 0 HH21 ARG 1 41 5.297 -19.791 13.687 1.00 0.00 H new ATOM 0 HH22 ARG 1 41 3.664 -20.259 14.171 1.00 0.00 H new ATOM 599 N ILE 1 42 8.570 -17.406 7.772 1.00 0.00 N ATOM 600 CA ILE 1 42 9.300 -18.230 6.824 1.00 0.00 C ATOM 601 C ILE 1 42 10.420 -17.402 6.190 1.00 0.00 C ATOM 602 O ILE 1 42 10.157 -16.493 5.405 1.00 0.00 O ATOM 603 CB ILE 1 42 8.342 -18.850 5.805 1.00 0.00 C ATOM 604 CG1 ILE 1 42 6.978 -19.134 6.436 1.00 0.00 C ATOM 605 CG2 ILE 1 42 8.951 -20.101 5.169 1.00 0.00 C ATOM 606 CD1 ILE 1 42 6.183 -20.136 5.596 1.00 0.00 C ATOM 0 H ILE 1 42 8.159 -16.561 7.374 1.00 0.00 H new ATOM 0 HA ILE 1 42 9.773 -19.069 7.334 1.00 0.00 H new ATOM 0 HB ILE 1 42 8.182 -18.128 5.005 1.00 0.00 H new ATOM 0 HG12 ILE 1 42 7.114 -19.526 7.444 1.00 0.00 H new ATOM 0 HG13 ILE 1 42 6.416 -18.205 6.529 1.00 0.00 H new ATOM 0 HG21 ILE 1 42 8.249 -20.521 4.449 1.00 0.00 H new ATOM 0 HG22 ILE 1 42 9.878 -19.836 4.660 1.00 0.00 H new ATOM 0 HG23 ILE 1 42 9.161 -20.838 5.944 1.00 0.00 H new ATOM 0 HD11 ILE 1 42 5.217 -20.320 6.067 1.00 0.00 H new ATOM 0 HD12 ILE 1 42 6.028 -19.730 4.596 1.00 0.00 H new ATOM 0 HD13 ILE 1 42 6.737 -21.072 5.526 1.00 0.00 H new ATOM 618 N PRO 1 43 11.678 -17.757 6.565 1.00 0.00 N ATOM 619 CA PRO 1 43 12.840 -17.057 6.043 1.00 0.00 C ATOM 620 C PRO 1 43 13.119 -17.464 4.595 1.00 0.00 C ATOM 621 O PRO 1 43 14.003 -16.903 3.949 1.00 0.00 O ATOM 622 CB PRO 1 43 13.973 -17.415 6.990 1.00 0.00 C ATOM 623 CG PRO 1 43 13.520 -18.662 7.731 1.00 0.00 C ATOM 624 CD PRO 1 43 12.028 -18.829 7.493 1.00 0.00 C ATOM 0 HA PRO 1 43 12.699 -15.977 6.004 1.00 0.00 H new ATOM 0 HB2 PRO 1 43 14.896 -17.601 6.441 1.00 0.00 H new ATOM 0 HB3 PRO 1 43 14.174 -16.599 7.685 1.00 0.00 H new ATOM 0 HG2 PRO 1 43 14.064 -19.537 7.374 1.00 0.00 H new ATOM 0 HG3 PRO 1 43 13.729 -18.570 8.797 1.00 0.00 H new ATOM 0 HD2 PRO 1 43 11.802 -19.808 7.071 1.00 0.00 H new ATOM 0 HD3 PRO 1 43 11.467 -18.746 8.424 1.00 0.00 H new ATOM 632 N GLY 1 44 12.349 -18.435 4.127 1.00 0.00 N ATOM 633 CA GLY 1 44 12.503 -18.923 2.768 1.00 0.00 C ATOM 634 C GLY 1 44 11.560 -18.190 1.811 1.00 0.00 C ATOM 635 O GLY 1 44 11.626 -18.383 0.598 1.00 0.00 O ATOM 0 H GLY 1 44 11.616 -18.897 4.665 1.00 0.00 H new ATOM 0 HA2 GLY 1 44 13.535 -18.786 2.443 1.00 0.00 H new ATOM 0 HA3 GLY 1 44 12.298 -19.993 2.737 1.00 0.00 H new ATOM 639 N VAL 1 45 10.704 -17.364 2.395 1.00 0.00 N ATOM 640 CA VAL 1 45 9.748 -16.600 1.610 1.00 0.00 C ATOM 641 C VAL 1 45 9.957 -15.107 1.872 1.00 0.00 C ATOM 642 O VAL 1 45 10.873 -14.723 2.597 1.00 0.00 O ATOM 643 CB VAL 1 45 8.325 -17.069 1.919 1.00 0.00 C ATOM 644 CG1 VAL 1 45 8.295 -18.567 2.228 1.00 0.00 C ATOM 645 CG2 VAL 1 45 7.718 -16.259 3.068 1.00 0.00 C ATOM 0 H VAL 1 45 10.652 -17.207 3.402 1.00 0.00 H new ATOM 0 HA VAL 1 45 9.907 -16.768 0.545 1.00 0.00 H new ATOM 0 HB VAL 1 45 7.716 -16.899 1.031 1.00 0.00 H new ATOM 0 HG11 VAL 1 45 7.272 -18.874 2.444 1.00 0.00 H new ATOM 0 HG12 VAL 1 45 8.667 -19.124 1.368 1.00 0.00 H new ATOM 0 HG13 VAL 1 45 8.926 -18.773 3.093 1.00 0.00 H new ATOM 0 HG21 VAL 1 45 6.706 -16.612 3.268 1.00 0.00 H new ATOM 0 HG22 VAL 1 45 8.329 -16.382 3.962 1.00 0.00 H new ATOM 0 HG23 VAL 1 45 7.686 -15.205 2.793 1.00 0.00 H new ATOM 655 N PRO 1 46 9.068 -14.286 1.253 1.00 0.00 N ATOM 656 CA PRO 1 46 9.146 -12.843 1.411 1.00 0.00 C ATOM 657 C PRO 1 46 8.633 -12.415 2.788 1.00 0.00 C ATOM 658 O PRO 1 46 7.464 -12.620 3.111 1.00 0.00 O ATOM 659 CB PRO 1 46 8.320 -12.276 0.268 1.00 0.00 C ATOM 660 CG PRO 1 46 7.434 -13.415 -0.212 1.00 0.00 C ATOM 661 CD PRO 1 46 7.971 -14.705 0.386 1.00 0.00 C ATOM 0 HA PRO 1 46 10.169 -12.470 1.368 1.00 0.00 H new ATOM 0 HB2 PRO 1 46 7.721 -11.429 0.602 1.00 0.00 H new ATOM 0 HB3 PRO 1 46 8.962 -11.915 -0.536 1.00 0.00 H new ATOM 0 HG2 PRO 1 46 6.401 -13.252 0.096 1.00 0.00 H new ATOM 0 HG3 PRO 1 46 7.437 -13.468 -1.301 1.00 0.00 H new ATOM 0 HD2 PRO 1 46 7.200 -15.231 0.950 1.00 0.00 H new ATOM 0 HD3 PRO 1 46 8.319 -15.386 -0.391 1.00 0.00 H new ATOM 669 N TRP 1 47 9.534 -11.827 3.562 1.00 0.00 N ATOM 670 CA TRP 1 47 9.188 -11.369 4.897 1.00 0.00 C ATOM 671 C TRP 1 47 8.741 -9.909 4.794 1.00 0.00 C ATOM 672 O TRP 1 47 8.880 -9.145 5.748 1.00 0.00 O ATOM 673 CB TRP 1 47 10.354 -11.570 5.865 1.00 0.00 C ATOM 674 CG TRP 1 47 11.498 -12.412 5.296 1.00 0.00 C ATOM 675 CD1 TRP 1 47 11.580 -13.747 5.217 1.00 0.00 C ATOM 676 CD2 TRP 1 47 12.728 -11.916 4.726 1.00 0.00 C ATOM 677 NE1 TRP 1 47 12.768 -14.147 4.639 1.00 0.00 N ATOM 678 CE2 TRP 1 47 13.488 -12.999 4.331 1.00 0.00 C ATOM 679 CE3 TRP 1 47 13.183 -10.598 4.549 1.00 0.00 C ATOM 680 CZ2 TRP 1 47 14.748 -12.873 3.735 1.00 0.00 C ATOM 681 CZ3 TRP 1 47 14.444 -10.490 3.951 1.00 0.00 C ATOM 682 CH2 TRP 1 47 15.223 -11.569 3.549 1.00 0.00 C ATOM 0 H TRP 1 47 10.502 -11.657 3.290 1.00 0.00 H new ATOM 0 HA TRP 1 47 8.366 -11.957 5.306 1.00 0.00 H new ATOM 0 HB2 TRP 1 47 10.744 -10.594 6.155 1.00 0.00 H new ATOM 0 HB3 TRP 1 47 9.982 -12.047 6.772 1.00 0.00 H new ATOM 0 HD1 TRP 1 47 10.813 -14.425 5.562 1.00 0.00 H new ATOM 0 HE1 TRP 1 47 13.063 -15.108 4.469 1.00 0.00 H new ATOM 0 HE3 TRP 1 47 12.605 -9.737 4.851 1.00 0.00 H new ATOM 0 HZ2 TRP 1 47 15.324 -13.736 3.434 1.00 0.00 H new ATOM 0 HZ3 TRP 1 47 14.840 -9.498 3.791 1.00 0.00 H new ATOM 0 HH2 TRP 1 47 16.189 -11.402 3.096 1.00 0.00 H new ATOM 693 N CYS 1 48 8.217 -9.564 3.627 1.00 0.00 N ATOM 694 CA CYS 1 48 7.749 -8.209 3.387 1.00 0.00 C ATOM 695 C CYS 1 48 6.961 -8.198 2.076 1.00 0.00 C ATOM 696 O CYS 1 48 7.539 -8.334 0.998 1.00 0.00 O ATOM 697 CB CYS 1 48 8.906 -7.208 3.366 1.00 0.00 C ATOM 698 SG CYS 1 48 8.403 -5.459 3.180 1.00 0.00 S ATOM 0 H CYS 1 48 8.106 -10.200 2.837 1.00 0.00 H new ATOM 0 HA CYS 1 48 7.098 -7.896 4.203 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 9.475 -7.312 4.290 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 9.578 -7.467 2.548 1.00 0.00 H new ATOM 703 N PHE 1 49 5.653 -8.035 2.212 1.00 0.00 N ATOM 704 CA PHE 1 49 4.779 -8.005 1.050 1.00 0.00 C ATOM 705 C PHE 1 49 3.581 -7.083 1.291 1.00 0.00 C ATOM 706 O PHE 1 49 3.540 -6.359 2.284 1.00 0.00 O ATOM 707 CB PHE 1 49 4.274 -9.432 0.834 1.00 0.00 C ATOM 708 CG PHE 1 49 4.132 -10.245 2.123 1.00 0.00 C ATOM 709 CD1 PHE 1 49 5.242 -10.661 2.789 1.00 0.00 C ATOM 710 CD2 PHE 1 49 2.897 -10.553 2.601 1.00 0.00 C ATOM 711 CE1 PHE 1 49 5.111 -11.415 3.986 1.00 0.00 C ATOM 712 CE2 PHE 1 49 2.765 -11.307 3.796 1.00 0.00 C ATOM 713 CZ PHE 1 49 3.875 -11.722 4.463 1.00 0.00 C ATOM 0 H PHE 1 49 5.177 -7.922 3.107 1.00 0.00 H new ATOM 0 HA PHE 1 49 5.323 -7.631 0.183 1.00 0.00 H new ATOM 0 HB2 PHE 1 49 3.306 -9.392 0.334 1.00 0.00 H new ATOM 0 HB3 PHE 1 49 4.959 -9.951 0.163 1.00 0.00 H new ATOM 0 HD1 PHE 1 49 6.223 -10.418 2.408 1.00 0.00 H new ATOM 0 HD2 PHE 1 49 2.016 -10.224 2.071 1.00 0.00 H new ATOM 0 HE1 PHE 1 49 5.992 -11.744 4.517 1.00 0.00 H new ATOM 0 HE2 PHE 1 49 1.784 -11.551 4.175 1.00 0.00 H new ATOM 0 HZ PHE 1 49 3.775 -12.296 5.372 1.00 0.00 H new ATOM 723 N LYS 1 50 2.636 -7.141 0.364 1.00 0.00 N ATOM 724 CA LYS 1 50 1.441 -6.320 0.462 1.00 0.00 C ATOM 725 C LYS 1 50 0.212 -7.227 0.553 1.00 0.00 C ATOM 726 O LYS 1 50 -0.566 -7.321 -0.395 1.00 0.00 O ATOM 727 CB LYS 1 50 1.383 -5.318 -0.692 1.00 0.00 C ATOM 728 CG LYS 1 50 2.198 -5.813 -1.889 1.00 0.00 C ATOM 729 CD LYS 1 50 3.659 -5.374 -1.776 1.00 0.00 C ATOM 730 CE LYS 1 50 3.763 -3.859 -1.587 1.00 0.00 C ATOM 731 NZ LYS 1 50 2.700 -3.166 -2.350 1.00 0.00 N ATOM 0 H LYS 1 50 2.674 -7.744 -0.458 1.00 0.00 H new ATOM 0 HA LYS 1 50 1.463 -5.720 1.372 1.00 0.00 H new ATOM 0 HB2 LYS 1 50 0.347 -5.163 -0.992 1.00 0.00 H new ATOM 0 HB3 LYS 1 50 1.766 -4.353 -0.360 1.00 0.00 H new ATOM 0 HG2 LYS 1 50 2.144 -6.900 -1.945 1.00 0.00 H new ATOM 0 HG3 LYS 1 50 1.768 -5.424 -2.812 1.00 0.00 H new ATOM 0 HD2 LYS 1 50 4.131 -5.882 -0.935 1.00 0.00 H new ATOM 0 HD3 LYS 1 50 4.202 -5.670 -2.673 1.00 0.00 H new ATOM 0 HE2 LYS 1 50 3.679 -3.612 -0.529 1.00 0.00 H new ATOM 0 HE3 LYS 1 50 4.742 -3.512 -1.918 1.00 0.00 H new ATOM 0 HZ1 LYS 1 50 2.991 -2.186 -2.539 1.00 0.00 H new ATOM 0 HZ2 LYS 1 50 2.541 -3.660 -3.251 1.00 0.00 H new ATOM 0 HZ3 LYS 1 50 1.820 -3.165 -1.796 1.00 0.00 H new ATOM 745 N PRO 1 51 0.071 -7.888 1.733 1.00 0.00 N ATOM 746 CA PRO 1 51 -1.051 -8.784 1.960 1.00 0.00 C ATOM 747 C PRO 1 51 -2.339 -7.997 2.207 1.00 0.00 C ATOM 748 O PRO 1 51 -2.997 -7.562 1.263 1.00 0.00 O ATOM 749 CB PRO 1 51 -0.638 -9.638 3.148 1.00 0.00 C ATOM 750 CG PRO 1 51 0.491 -8.883 3.831 1.00 0.00 C ATOM 751 CD PRO 1 51 0.972 -7.801 2.878 1.00 0.00 C ATOM 0 HA PRO 1 51 -1.272 -9.410 1.095 1.00 0.00 H new ATOM 0 HB2 PRO 1 51 -1.475 -9.790 3.830 1.00 0.00 H new ATOM 0 HB3 PRO 1 51 -0.308 -10.625 2.824 1.00 0.00 H new ATOM 0 HG2 PRO 1 51 0.145 -8.442 4.766 1.00 0.00 H new ATOM 0 HG3 PRO 1 51 1.307 -9.561 4.082 1.00 0.00 H new ATOM 0 HD2 PRO 1 51 0.928 -6.816 3.343 1.00 0.00 H new ATOM 0 HD3 PRO 1 51 2.007 -7.967 2.581 1.00 0.00 H new ATOM 759 N LEU 1 52 -2.661 -7.837 3.483 1.00 0.00 N ATOM 760 CA LEU 1 52 -3.859 -7.110 3.867 1.00 0.00 C ATOM 761 C LEU 1 52 -3.505 -5.640 4.102 1.00 0.00 C ATOM 762 O LEU 1 52 -4.100 -4.984 4.956 1.00 0.00 O ATOM 763 CB LEU 1 52 -4.531 -7.781 5.067 1.00 0.00 C ATOM 764 CG LEU 1 52 -4.006 -7.372 6.445 1.00 0.00 C ATOM 765 CD1 LEU 1 52 -4.964 -6.396 7.130 1.00 0.00 C ATOM 766 CD2 LEU 1 52 -3.723 -8.602 7.311 1.00 0.00 C ATOM 0 H LEU 1 52 -2.113 -8.198 4.264 1.00 0.00 H new ATOM 0 HA LEU 1 52 -4.595 -7.136 3.063 1.00 0.00 H new ATOM 0 HB2 LEU 1 52 -5.599 -7.565 5.028 1.00 0.00 H new ATOM 0 HB3 LEU 1 52 -4.420 -8.860 4.964 1.00 0.00 H new ATOM 0 HG LEU 1 52 -3.059 -6.850 6.308 1.00 0.00 H new ATOM 0 HD11 LEU 1 52 -4.567 -6.122 8.107 1.00 0.00 H new ATOM 0 HD12 LEU 1 52 -5.071 -5.501 6.517 1.00 0.00 H new ATOM 0 HD13 LEU 1 52 -5.938 -6.869 7.254 1.00 0.00 H new ATOM 0 HD21 LEU 1 52 -3.351 -8.284 8.285 1.00 0.00 H new ATOM 0 HD22 LEU 1 52 -4.642 -9.173 7.443 1.00 0.00 H new ATOM 0 HD23 LEU 1 52 -2.974 -9.226 6.823 1.00 0.00 H new ATOM 778 N GLN 1 53 -2.538 -5.167 3.331 1.00 0.00 N ATOM 779 CA GLN 1 53 -2.098 -3.787 3.444 1.00 0.00 C ATOM 780 C GLN 1 53 -3.295 -2.839 3.354 1.00 0.00 C ATOM 781 O GLN 1 53 -3.248 -1.723 3.870 1.00 0.00 O ATOM 782 CB GLN 1 53 -1.054 -3.455 2.376 1.00 0.00 C ATOM 783 CG GLN 1 53 0.201 -4.313 2.550 1.00 0.00 C ATOM 784 CD GLN 1 53 0.813 -4.115 3.938 1.00 0.00 C ATOM 785 OE1 GLN 1 53 1.171 -5.056 4.627 1.00 0.00 O ATOM 786 NE2 GLN 1 53 0.911 -2.841 4.309 1.00 0.00 N ATOM 0 H GLN 1 53 -2.046 -5.715 2.625 1.00 0.00 H new ATOM 0 HA GLN 1 53 -1.628 -3.655 4.418 1.00 0.00 H new ATOM 0 HB2 GLN 1 53 -1.477 -3.620 1.385 1.00 0.00 H new ATOM 0 HB3 GLN 1 53 -0.789 -2.400 2.438 1.00 0.00 H new ATOM 0 HG2 GLN 1 53 -0.050 -5.364 2.406 1.00 0.00 H new ATOM 0 HG3 GLN 1 53 0.933 -4.052 1.785 1.00 0.00 H new ATOM 0 HE21 GLN 1 53 0.592 -2.102 3.683 1.00 0.00 H new ATOM 0 HE22 GLN 1 53 1.305 -2.604 5.219 1.00 0.00 H new ATOM 795 N GLU 1 54 -4.341 -3.318 2.696 1.00 0.00 N ATOM 796 CA GLU 1 54 -5.548 -2.527 2.533 1.00 0.00 C ATOM 797 C GLU 1 54 -5.812 -1.694 3.790 1.00 0.00 C ATOM 798 O GLU 1 54 -6.423 -0.629 3.716 1.00 0.00 O ATOM 799 CB GLU 1 54 -6.747 -3.419 2.204 1.00 0.00 C ATOM 800 CG GLU 1 54 -7.292 -4.092 3.465 1.00 0.00 C ATOM 801 CD GLU 1 54 -8.520 -3.350 3.996 1.00 0.00 C ATOM 802 OE1 GLU 1 54 -9.620 -3.621 3.468 1.00 0.00 O ATOM 803 OE2 GLU 1 54 -8.331 -2.528 4.919 1.00 0.00 O ATOM 0 H GLU 1 54 -4.377 -4.244 2.270 1.00 0.00 H new ATOM 0 HA GLU 1 54 -5.402 -1.846 1.695 1.00 0.00 H new ATOM 0 HB2 GLU 1 54 -7.531 -2.823 1.738 1.00 0.00 H new ATOM 0 HB3 GLU 1 54 -6.452 -4.179 1.481 1.00 0.00 H new ATOM 0 HG2 GLU 1 54 -7.555 -5.127 3.244 1.00 0.00 H new ATOM 0 HG3 GLU 1 54 -6.518 -4.116 4.232 1.00 0.00 H new ATOM 810 N ALA 1 55 -5.340 -2.213 4.914 1.00 0.00 N ATOM 811 CA ALA 1 55 -5.517 -1.530 6.184 1.00 0.00 C ATOM 812 C ALA 1 55 -5.443 -0.019 5.962 1.00 0.00 C ATOM 813 O ALA 1 55 -6.422 0.692 6.178 1.00 0.00 O ATOM 814 CB ALA 1 55 -4.466 -2.026 7.180 1.00 0.00 C ATOM 0 H ALA 1 55 -4.836 -3.098 4.972 1.00 0.00 H new ATOM 0 HA ALA 1 55 -6.497 -1.752 6.606 1.00 0.00 H new ATOM 0 HB1 ALA 1 55 -4.598 -1.514 8.133 1.00 0.00 H new ATOM 0 HB2 ALA 1 55 -4.581 -3.100 7.326 1.00 0.00 H new ATOM 0 HB3 ALA 1 55 -3.469 -1.818 6.791 1.00 0.00 H new ATOM 820 N GLU 1 56 -4.271 0.427 5.532 1.00 0.00 N ATOM 821 CA GLU 1 56 -4.057 1.842 5.278 1.00 0.00 C ATOM 822 C GLU 1 56 -3.572 2.055 3.842 1.00 0.00 C ATOM 823 O GLU 1 56 -3.088 3.133 3.501 1.00 0.00 O ATOM 824 CB GLU 1 56 -3.069 2.436 6.285 1.00 0.00 C ATOM 825 CG GLU 1 56 -3.727 3.546 7.107 1.00 0.00 C ATOM 826 CD GLU 1 56 -2.672 4.426 7.781 1.00 0.00 C ATOM 827 OE1 GLU 1 56 -2.229 5.389 7.118 1.00 0.00 O ATOM 828 OE2 GLU 1 56 -2.334 4.116 8.944 1.00 0.00 O ATOM 0 H GLU 1 56 -3.461 -0.166 5.353 1.00 0.00 H new ATOM 0 HA GLU 1 56 -5.007 2.362 5.401 1.00 0.00 H new ATOM 0 HB2 GLU 1 56 -2.706 1.652 6.950 1.00 0.00 H new ATOM 0 HB3 GLU 1 56 -2.202 2.834 5.758 1.00 0.00 H new ATOM 0 HG2 GLU 1 56 -4.357 4.157 6.461 1.00 0.00 H new ATOM 0 HG3 GLU 1 56 -4.377 3.107 7.864 1.00 0.00 H new ATOM 835 N CYS 1 57 -3.717 1.010 3.041 1.00 0.00 N ATOM 836 CA CYS 1 57 -3.301 1.070 1.651 1.00 0.00 C ATOM 837 C CYS 1 57 -4.512 1.464 0.802 1.00 0.00 C ATOM 838 O CYS 1 57 -4.737 2.646 0.546 1.00 0.00 O ATOM 839 CB CYS 1 57 -2.685 -0.252 1.187 1.00 0.00 C ATOM 840 SG CYS 1 57 -0.870 -0.212 0.950 1.00 0.00 S ATOM 0 H CYS 1 57 -4.117 0.117 3.328 1.00 0.00 H new ATOM 0 HA CYS 1 57 -2.519 1.820 1.536 1.00 0.00 H new ATOM 0 HB2 CYS 1 57 -2.925 -1.025 1.917 1.00 0.00 H new ATOM 0 HB3 CYS 1 57 -3.154 -0.545 0.248 1.00 0.00 H new ATOM 845 N THR 1 58 -5.259 0.451 0.389 1.00 0.00 N ATOM 846 CA THR 1 58 -6.442 0.676 -0.425 1.00 0.00 C ATOM 847 C THR 1 58 -7.216 1.893 0.086 1.00 0.00 C ATOM 848 O THR 1 58 -7.663 2.723 -0.704 1.00 0.00 O ATOM 849 CB THR 1 58 -7.267 -0.613 -0.427 1.00 0.00 C ATOM 850 OG1 THR 1 58 -8.088 -0.497 -1.585 1.00 0.00 O ATOM 851 CG2 THR 1 58 -8.263 -0.671 0.733 1.00 0.00 C ATOM 0 H THR 1 58 -5.068 -0.528 0.603 1.00 0.00 H new ATOM 0 HA THR 1 58 -6.175 0.909 -1.456 1.00 0.00 H new ATOM 0 HB THR 1 58 -6.599 -1.473 -0.375 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -8.655 -1.292 -1.665 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -8.823 -1.605 0.686 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -7.724 -0.619 1.679 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -8.953 0.170 0.662 1.00 0.00 H new ATOM 859 N PHE 1 59 -7.351 1.959 1.402 1.00 0.00 N ATOM 860 CA PHE 1 59 -8.063 3.062 2.026 1.00 0.00 C ATOM 861 C PHE 1 59 -7.786 4.377 1.297 1.00 0.00 C ATOM 862 O PHE 1 59 -8.591 4.819 0.479 1.00 0.00 O ATOM 863 CB PHE 1 59 -7.549 3.170 3.463 1.00 0.00 C ATOM 864 CG PHE 1 59 -8.396 4.072 4.361 1.00 0.00 C ATOM 865 CD1 PHE 1 59 -9.691 3.750 4.621 1.00 0.00 C ATOM 866 CD2 PHE 1 59 -7.855 5.198 4.899 1.00 0.00 C ATOM 867 CE1 PHE 1 59 -10.479 4.588 5.455 1.00 0.00 C ATOM 868 CE2 PHE 1 59 -8.641 6.036 5.733 1.00 0.00 C ATOM 869 CZ PHE 1 59 -9.937 5.713 5.993 1.00 0.00 C ATOM 0 H PHE 1 59 -6.980 1.267 2.053 1.00 0.00 H new ATOM 0 HA PHE 1 59 -9.137 2.879 1.991 1.00 0.00 H new ATOM 0 HB2 PHE 1 59 -7.511 2.172 3.900 1.00 0.00 H new ATOM 0 HB3 PHE 1 59 -6.527 3.549 3.445 1.00 0.00 H new ATOM 0 HD1 PHE 1 59 -10.121 2.856 4.193 1.00 0.00 H new ATOM 0 HD2 PHE 1 59 -6.827 5.455 4.692 1.00 0.00 H new ATOM 0 HE1 PHE 1 59 -11.508 4.332 5.661 1.00 0.00 H new ATOM 0 HE2 PHE 1 59 -8.211 6.929 6.161 1.00 0.00 H new ATOM 0 HZ PHE 1 59 -10.535 6.350 6.627 1.00 0.00 H new ATOM 1107 N ASP 2 17 -8.375 14.476 0.918 1.00 0.00 N ATOM 1108 CA ASP 2 17 -9.034 13.307 1.478 1.00 0.00 C ATOM 1109 C ASP 2 17 -8.050 12.136 1.502 1.00 0.00 C ATOM 1110 O ASP 2 17 -8.447 10.992 1.722 1.00 0.00 O ATOM 1111 CB ASP 2 17 -10.239 12.896 0.632 1.00 0.00 C ATOM 1112 CG ASP 2 17 -11.263 12.014 1.350 1.00 0.00 C ATOM 1113 OD1 ASP 2 17 -11.457 12.244 2.563 1.00 0.00 O ATOM 1114 OD2 ASP 2 17 -11.829 11.132 0.669 1.00 0.00 O ATOM 0 HA ASP 2 17 -9.370 13.558 2.484 1.00 0.00 H new ATOM 0 HB2 ASP 2 17 -10.741 13.797 0.280 1.00 0.00 H new ATOM 0 HB3 ASP 2 17 -9.881 12.366 -0.250 1.00 0.00 H new ATOM 1119 N ARG 2 18 -6.786 12.461 1.275 1.00 0.00 N ATOM 1120 CA ARG 2 18 -5.743 11.449 1.268 1.00 0.00 C ATOM 1121 C ARG 2 18 -5.142 11.296 2.667 1.00 0.00 C ATOM 1122 O ARG 2 18 -5.513 12.022 3.587 1.00 0.00 O ATOM 1123 CB ARG 2 18 -4.631 11.811 0.280 1.00 0.00 C ATOM 1124 CG ARG 2 18 -5.213 12.218 -1.076 1.00 0.00 C ATOM 1125 CD ARG 2 18 -4.480 13.434 -1.644 1.00 0.00 C ATOM 1126 NE ARG 2 18 -4.860 13.638 -3.060 1.00 0.00 N ATOM 1127 CZ ARG 2 18 -4.105 14.291 -3.954 1.00 0.00 C ATOM 1128 NH1 ARG 2 18 -2.925 14.807 -3.585 1.00 0.00 N ATOM 1129 NH2 ARG 2 18 -4.530 14.427 -5.218 1.00 0.00 N ATOM 0 H ARG 2 18 -6.460 13.411 1.095 1.00 0.00 H new ATOM 0 HA ARG 2 18 -6.197 10.507 0.959 1.00 0.00 H new ATOM 0 HB2 ARG 2 18 -4.033 12.628 0.683 1.00 0.00 H new ATOM 0 HB3 ARG 2 18 -3.962 10.960 0.152 1.00 0.00 H new ATOM 0 HG2 ARG 2 18 -5.136 11.384 -1.774 1.00 0.00 H new ATOM 0 HG3 ARG 2 18 -6.273 12.446 -0.967 1.00 0.00 H new ATOM 0 HD2 ARG 2 18 -4.726 14.322 -1.061 1.00 0.00 H new ATOM 0 HD3 ARG 2 18 -3.403 13.289 -1.565 1.00 0.00 H new ATOM 0 HE ARG 2 18 -5.752 13.258 -3.375 1.00 0.00 H new ATOM 0 HH11 ARG 2 18 -2.601 14.703 -2.623 1.00 0.00 H new ATOM 0 HH12 ARG 2 18 -2.350 15.304 -4.266 1.00 0.00 H new ATOM 0 HH21 ARG 2 18 -5.428 14.033 -5.499 1.00 0.00 H new ATOM 0 HH22 ARG 2 18 -3.955 14.924 -5.899 1.00 0.00 H new ATOM 1143 N VAL 2 19 -4.225 10.347 2.781 1.00 0.00 N ATOM 1144 CA VAL 2 19 -3.569 10.090 4.052 1.00 0.00 C ATOM 1145 C VAL 2 19 -2.133 10.615 3.996 1.00 0.00 C ATOM 1146 O VAL 2 19 -1.282 10.190 4.775 1.00 0.00 O ATOM 1147 CB VAL 2 19 -3.648 8.599 4.389 1.00 0.00 C ATOM 1148 CG1 VAL 2 19 -3.118 8.327 5.798 1.00 0.00 C ATOM 1149 CG2 VAL 2 19 -5.077 8.076 4.229 1.00 0.00 C ATOM 0 H VAL 2 19 -3.921 9.747 2.015 1.00 0.00 H new ATOM 0 HA VAL 2 19 -4.077 10.620 4.858 1.00 0.00 H new ATOM 0 HB VAL 2 19 -3.014 8.061 3.684 1.00 0.00 H new ATOM 0 HG11 VAL 2 19 -3.185 7.260 6.012 1.00 0.00 H new ATOM 0 HG12 VAL 2 19 -2.078 8.645 5.863 1.00 0.00 H new ATOM 0 HG13 VAL 2 19 -3.713 8.881 6.524 1.00 0.00 H new ATOM 0 HG21 VAL 2 19 -5.106 7.014 4.474 1.00 0.00 H new ATOM 0 HG22 VAL 2 19 -5.741 8.621 4.899 1.00 0.00 H new ATOM 0 HG23 VAL 2 19 -5.404 8.219 3.199 1.00 0.00 H new ATOM 1159 N ASP 2 20 -1.909 11.533 3.067 1.00 0.00 N ATOM 1160 CA ASP 2 20 -0.591 12.121 2.899 1.00 0.00 C ATOM 1161 C ASP 2 20 0.474 11.097 3.299 1.00 0.00 C ATOM 1162 O ASP 2 20 0.927 11.081 4.442 1.00 0.00 O ATOM 1163 CB ASP 2 20 -0.420 13.353 3.790 1.00 0.00 C ATOM 1164 CG ASP 2 20 1.020 13.651 4.214 1.00 0.00 C ATOM 1165 OD1 ASP 2 20 1.768 14.170 3.357 1.00 0.00 O ATOM 1166 OD2 ASP 2 20 1.341 13.351 5.384 1.00 0.00 O ATOM 0 H ASP 2 20 -2.618 11.884 2.423 1.00 0.00 H new ATOM 0 HA ASP 2 20 -0.483 12.413 1.855 1.00 0.00 H new ATOM 0 HB2 ASP 2 20 -0.814 14.222 3.263 1.00 0.00 H new ATOM 0 HB3 ASP 2 20 -1.027 13.222 4.686 1.00 0.00 H new ATOM 1171 N CYS 2 21 0.843 10.268 2.334 1.00 0.00 N ATOM 1172 CA CYS 2 21 1.846 9.244 2.571 1.00 0.00 C ATOM 1173 C CYS 2 21 3.056 9.901 3.237 1.00 0.00 C ATOM 1174 O CYS 2 21 3.703 9.298 4.091 1.00 0.00 O ATOM 1175 CB CYS 2 21 2.229 8.518 1.279 1.00 0.00 C ATOM 1176 SG CYS 2 21 2.511 6.719 1.464 1.00 0.00 S ATOM 0 H CYS 2 21 0.466 10.284 1.387 1.00 0.00 H new ATOM 0 HA CYS 2 21 1.440 8.480 3.233 1.00 0.00 H new ATOM 0 HB2 CYS 2 21 1.440 8.674 0.544 1.00 0.00 H new ATOM 0 HB3 CYS 2 21 3.134 8.974 0.877 1.00 0.00 H new ATOM 1181 N GLY 2 22 3.326 11.129 2.818 1.00 0.00 N ATOM 1182 CA GLY 2 22 4.448 11.875 3.363 1.00 0.00 C ATOM 1183 C GLY 2 22 5.738 11.056 3.291 1.00 0.00 C ATOM 1184 O GLY 2 22 6.365 10.788 4.316 1.00 0.00 O ATOM 0 H GLY 2 22 2.788 11.626 2.108 1.00 0.00 H new ATOM 0 HA2 GLY 2 22 4.573 12.806 2.810 1.00 0.00 H new ATOM 0 HA3 GLY 2 22 4.241 12.144 4.399 1.00 0.00 H new ATOM 1188 N TYR 2 23 6.097 10.681 2.072 1.00 0.00 N ATOM 1189 CA TYR 2 23 7.300 9.898 1.853 1.00 0.00 C ATOM 1190 C TYR 2 23 8.503 10.805 1.585 1.00 0.00 C ATOM 1191 O TYR 2 23 8.381 11.816 0.897 1.00 0.00 O ATOM 1192 CB TYR 2 23 7.030 9.048 0.610 1.00 0.00 C ATOM 1193 CG TYR 2 23 6.896 7.551 0.897 1.00 0.00 C ATOM 1194 CD1 TYR 2 23 8.026 6.776 1.060 1.00 0.00 C ATOM 1195 CD2 TYR 2 23 5.646 6.977 0.993 1.00 0.00 C ATOM 1196 CE1 TYR 2 23 7.900 5.366 1.329 1.00 0.00 C ATOM 1197 CE2 TYR 2 23 5.519 5.568 1.263 1.00 0.00 C ATOM 1198 CZ TYR 2 23 6.652 4.832 1.418 1.00 0.00 C ATOM 1199 OH TYR 2 23 6.534 3.502 1.673 1.00 0.00 O ATOM 0 H TYR 2 23 5.575 10.906 1.225 1.00 0.00 H new ATOM 0 HA TYR 2 23 7.530 9.294 2.731 1.00 0.00 H new ATOM 0 HB2 TYR 2 23 6.115 9.400 0.134 1.00 0.00 H new ATOM 0 HB3 TYR 2 23 7.839 9.200 -0.104 1.00 0.00 H new ATOM 0 HD1 TYR 2 23 9.005 7.226 0.986 1.00 0.00 H new ATOM 0 HD2 TYR 2 23 4.762 7.584 0.866 1.00 0.00 H new ATOM 0 HE1 TYR 2 23 8.776 4.747 1.457 1.00 0.00 H new ATOM 0 HE2 TYR 2 23 4.546 5.106 1.341 1.00 0.00 H new ATOM 0 HH TYR 2 23 5.587 3.250 1.663 1.00 0.00 H new ATOM 1209 N PRO 2 24 9.668 10.399 2.158 1.00 0.00 N ATOM 1210 CA PRO 2 24 10.891 11.164 1.988 1.00 0.00 C ATOM 1211 C PRO 2 24 11.472 10.965 0.586 1.00 0.00 C ATOM 1212 O PRO 2 24 12.460 11.602 0.223 1.00 0.00 O ATOM 1213 CB PRO 2 24 11.818 10.674 3.089 1.00 0.00 C ATOM 1214 CG PRO 2 24 11.257 9.335 3.541 1.00 0.00 C ATOM 1215 CD PRO 2 24 9.850 9.206 2.981 1.00 0.00 C ATOM 0 HA PRO 2 24 10.729 12.239 2.070 1.00 0.00 H new ATOM 0 HB2 PRO 2 24 12.838 10.566 2.721 1.00 0.00 H new ATOM 0 HB3 PRO 2 24 11.851 11.383 3.916 1.00 0.00 H new ATOM 0 HG2 PRO 2 24 11.886 8.518 3.186 1.00 0.00 H new ATOM 0 HG3 PRO 2 24 11.242 9.275 4.629 1.00 0.00 H new ATOM 0 HD2 PRO 2 24 9.741 8.297 2.390 1.00 0.00 H new ATOM 0 HD3 PRO 2 24 9.109 9.158 3.779 1.00 0.00 H new ATOM 1223 N HIS 2 25 10.834 10.079 -0.164 1.00 0.00 N ATOM 1224 CA HIS 2 25 11.274 9.788 -1.517 1.00 0.00 C ATOM 1225 C HIS 2 25 10.121 10.027 -2.495 1.00 0.00 C ATOM 1226 O HIS 2 25 10.191 9.623 -3.654 1.00 0.00 O ATOM 1227 CB HIS 2 25 11.845 8.372 -1.611 1.00 0.00 C ATOM 1228 CG HIS 2 25 13.243 8.310 -2.178 1.00 0.00 C ATOM 1229 ND1 HIS 2 25 14.031 7.174 -2.106 1.00 0.00 N ATOM 1230 CD2 HIS 2 25 13.985 9.253 -2.826 1.00 0.00 C ATOM 1231 CE1 HIS 2 25 15.194 7.434 -2.687 1.00 0.00 C ATOM 1232 NE2 HIS 2 25 15.163 8.723 -3.132 1.00 0.00 N ATOM 0 H HIS 2 25 10.015 9.553 0.140 1.00 0.00 H new ATOM 0 HA HIS 2 25 12.084 10.463 -1.791 1.00 0.00 H new ATOM 0 HB2 HIS 2 25 11.847 7.925 -0.617 1.00 0.00 H new ATOM 0 HB3 HIS 2 25 11.185 7.766 -2.231 1.00 0.00 H new ATOM 0 HD2 HIS 2 25 13.668 10.260 -3.052 1.00 0.00 H new ATOM 0 HE1 HIS 2 25 16.020 6.746 -2.790 1.00 0.00 H new ATOM 0 HE2 HIS 2 25 15.921 9.201 -3.620 1.00 0.00 H new ATOM 1241 N VAL 2 26 9.088 10.685 -1.990 1.00 0.00 N ATOM 1242 CA VAL 2 26 7.922 10.984 -2.804 1.00 0.00 C ATOM 1243 C VAL 2 26 8.373 11.353 -4.219 1.00 0.00 C ATOM 1244 O VAL 2 26 9.190 12.254 -4.397 1.00 0.00 O ATOM 1245 CB VAL 2 26 7.085 12.079 -2.139 1.00 0.00 C ATOM 1246 CG1 VAL 2 26 7.978 13.198 -1.598 1.00 0.00 C ATOM 1247 CG2 VAL 2 26 6.038 12.633 -3.106 1.00 0.00 C ATOM 0 H VAL 2 26 9.034 11.019 -1.028 1.00 0.00 H new ATOM 0 HA VAL 2 26 7.280 10.107 -2.886 1.00 0.00 H new ATOM 0 HB VAL 2 26 6.558 11.632 -1.296 1.00 0.00 H new ATOM 0 HG11 VAL 2 26 7.359 13.964 -1.130 1.00 0.00 H new ATOM 0 HG12 VAL 2 26 8.668 12.788 -0.860 1.00 0.00 H new ATOM 0 HG13 VAL 2 26 8.544 13.640 -2.418 1.00 0.00 H new ATOM 0 HG21 VAL 2 26 5.457 13.409 -2.608 1.00 0.00 H new ATOM 0 HG22 VAL 2 26 6.536 13.056 -3.978 1.00 0.00 H new ATOM 0 HG23 VAL 2 26 5.373 11.829 -3.422 1.00 0.00 H new ATOM 1257 N THR 2 27 7.821 10.637 -5.187 1.00 0.00 N ATOM 1258 CA THR 2 27 8.157 10.878 -6.581 1.00 0.00 C ATOM 1259 C THR 2 27 7.139 10.201 -7.499 1.00 0.00 C ATOM 1260 O THR 2 27 6.492 9.231 -7.107 1.00 0.00 O ATOM 1261 CB THR 2 27 9.593 10.402 -6.809 1.00 0.00 C ATOM 1262 OG1 THR 2 27 10.291 11.580 -7.203 1.00 0.00 O ATOM 1263 CG2 THR 2 27 9.716 9.474 -8.019 1.00 0.00 C ATOM 0 H THR 2 27 7.144 9.890 -5.034 1.00 0.00 H new ATOM 0 HA THR 2 27 8.109 11.940 -6.823 1.00 0.00 H new ATOM 0 HB THR 2 27 9.950 9.886 -5.918 1.00 0.00 H new ATOM 0 HG1 THR 2 27 10.211 12.258 -6.500 1.00 0.00 H new ATOM 0 HG21 THR 2 27 10.755 9.165 -8.137 1.00 0.00 H new ATOM 0 HG22 THR 2 27 9.091 8.594 -7.868 1.00 0.00 H new ATOM 0 HG23 THR 2 27 9.390 10.001 -8.916 1.00 0.00 H new ATOM 1271 N PRO 2 28 7.025 10.752 -8.737 1.00 0.00 N ATOM 1272 CA PRO 2 28 6.096 10.212 -9.715 1.00 0.00 C ATOM 1273 C PRO 2 28 6.624 8.904 -10.308 1.00 0.00 C ATOM 1274 O PRO 2 28 6.611 8.720 -11.524 1.00 0.00 O ATOM 1275 CB PRO 2 28 5.932 11.311 -10.751 1.00 0.00 C ATOM 1276 CG PRO 2 28 7.123 12.238 -10.567 1.00 0.00 C ATOM 1277 CD PRO 2 28 7.774 11.901 -9.236 1.00 0.00 C ATOM 0 HA PRO 2 28 5.132 9.948 -9.279 1.00 0.00 H new ATOM 0 HB2 PRO 2 28 5.911 10.897 -11.759 1.00 0.00 H new ATOM 0 HB3 PRO 2 28 4.994 11.847 -10.607 1.00 0.00 H new ATOM 0 HG2 PRO 2 28 7.835 12.112 -11.383 1.00 0.00 H new ATOM 0 HG3 PRO 2 28 6.802 13.280 -10.582 1.00 0.00 H new ATOM 0 HD2 PRO 2 28 8.830 11.661 -9.361 1.00 0.00 H new ATOM 0 HD3 PRO 2 28 7.718 12.741 -8.544 1.00 0.00 H new ATOM 1285 N LYS 2 29 7.077 8.029 -9.422 1.00 0.00 N ATOM 1286 CA LYS 2 29 7.607 6.744 -9.843 1.00 0.00 C ATOM 1287 C LYS 2 29 8.039 5.947 -8.611 1.00 0.00 C ATOM 1288 O LYS 2 29 8.162 4.725 -8.668 1.00 0.00 O ATOM 1289 CB LYS 2 29 8.723 6.937 -10.872 1.00 0.00 C ATOM 1290 CG LYS 2 29 8.731 5.796 -11.893 1.00 0.00 C ATOM 1291 CD LYS 2 29 8.687 6.338 -13.322 1.00 0.00 C ATOM 1292 CE LYS 2 29 9.206 5.299 -14.319 1.00 0.00 C ATOM 1293 NZ LYS 2 29 9.195 5.849 -15.693 1.00 0.00 N ATOM 0 H LYS 2 29 7.088 8.185 -8.414 1.00 0.00 H new ATOM 0 HA LYS 2 29 6.836 6.160 -10.347 1.00 0.00 H new ATOM 0 HB2 LYS 2 29 8.588 7.889 -11.386 1.00 0.00 H new ATOM 0 HB3 LYS 2 29 9.687 6.983 -10.365 1.00 0.00 H new ATOM 0 HG2 LYS 2 29 9.626 5.189 -11.758 1.00 0.00 H new ATOM 0 HG3 LYS 2 29 7.875 5.144 -11.721 1.00 0.00 H new ATOM 0 HD2 LYS 2 29 7.664 6.614 -13.579 1.00 0.00 H new ATOM 0 HD3 LYS 2 29 9.289 7.244 -13.390 1.00 0.00 H new ATOM 0 HE2 LYS 2 29 10.219 5.001 -14.048 1.00 0.00 H new ATOM 0 HE3 LYS 2 29 8.587 4.403 -14.275 1.00 0.00 H new ATOM 0 HZ1 LYS 2 29 9.550 5.132 -16.357 1.00 0.00 H new ATOM 0 HZ2 LYS 2 29 8.223 6.112 -15.954 1.00 0.00 H new ATOM 0 HZ3 LYS 2 29 9.804 6.691 -15.735 1.00 0.00 H new ATOM 1307 N GLU 2 30 8.258 6.672 -7.524 1.00 0.00 N ATOM 1308 CA GLU 2 30 8.675 6.049 -6.279 1.00 0.00 C ATOM 1309 C GLU 2 30 7.457 5.758 -5.399 1.00 0.00 C ATOM 1310 O GLU 2 30 7.342 4.672 -4.832 1.00 0.00 O ATOM 1311 CB GLU 2 30 9.690 6.923 -5.540 1.00 0.00 C ATOM 1312 CG GLU 2 30 11.108 6.368 -5.696 1.00 0.00 C ATOM 1313 CD GLU 2 30 11.862 7.101 -6.807 1.00 0.00 C ATOM 1314 OE1 GLU 2 30 12.268 8.256 -6.551 1.00 0.00 O ATOM 1315 OE2 GLU 2 30 12.017 6.491 -7.887 1.00 0.00 O ATOM 0 H GLU 2 30 8.154 7.686 -7.479 1.00 0.00 H new ATOM 0 HA GLU 2 30 9.164 5.104 -6.514 1.00 0.00 H new ATOM 0 HB2 GLU 2 30 9.649 7.941 -5.928 1.00 0.00 H new ATOM 0 HB3 GLU 2 30 9.430 6.974 -4.483 1.00 0.00 H new ATOM 0 HG2 GLU 2 30 11.649 6.471 -4.755 1.00 0.00 H new ATOM 0 HG3 GLU 2 30 11.063 5.303 -5.923 1.00 0.00 H new ATOM 1322 N CYS 2 31 6.581 6.748 -5.311 1.00 0.00 N ATOM 1323 CA CYS 2 31 5.376 6.611 -4.509 1.00 0.00 C ATOM 1324 C CYS 2 31 4.629 5.359 -4.972 1.00 0.00 C ATOM 1325 O CYS 2 31 4.353 4.465 -4.173 1.00 0.00 O ATOM 1326 CB CYS 2 31 4.498 7.862 -4.590 1.00 0.00 C ATOM 1327 SG CYS 2 31 5.140 9.310 -3.673 1.00 0.00 S ATOM 0 H CYS 2 31 6.681 7.648 -5.781 1.00 0.00 H new ATOM 0 HA CYS 2 31 5.646 6.503 -3.459 1.00 0.00 H new ATOM 0 HB2 CYS 2 31 4.378 8.137 -5.638 1.00 0.00 H new ATOM 0 HB3 CYS 2 31 3.506 7.618 -4.209 1.00 0.00 H new ATOM 1332 N ASN 2 32 4.324 5.334 -6.261 1.00 0.00 N ATOM 1333 CA ASN 2 32 3.614 4.206 -6.840 1.00 0.00 C ATOM 1334 C ASN 2 32 4.441 2.934 -6.645 1.00 0.00 C ATOM 1335 O ASN 2 32 3.934 1.826 -6.817 1.00 0.00 O ATOM 1336 CB ASN 2 32 3.398 4.403 -8.343 1.00 0.00 C ATOM 1337 CG ASN 2 32 2.041 5.053 -8.621 1.00 0.00 C ATOM 1338 OD1 ASN 2 32 1.783 6.112 -7.859 1.00 0.00 O flip ATOM 1339 ND2 ASN 2 32 1.280 4.621 -9.470 1.00 0.00 N flip ATOM 0 H ASN 2 32 4.555 6.077 -6.921 1.00 0.00 H new ATOM 0 HA ASN 2 32 2.647 4.126 -6.344 1.00 0.00 H new ATOM 0 HB2 ASN 2 32 4.194 5.026 -8.750 1.00 0.00 H new ATOM 0 HB3 ASN 2 32 3.455 3.441 -8.852 1.00 0.00 H new ATOM 0 HD21 ASN 2 32 1.541 3.803 -10.020 1.00 0.00 H new ATOM 0 HD22 ASN 2 32 0.382 5.078 -9.630 1.00 0.00 H new ATOM 1346 N ASN 2 33 5.702 3.135 -6.287 1.00 0.00 N ATOM 1347 CA ASN 2 33 6.604 2.018 -6.067 1.00 0.00 C ATOM 1348 C ASN 2 33 6.533 1.593 -4.598 1.00 0.00 C ATOM 1349 O ASN 2 33 6.688 0.415 -4.281 1.00 0.00 O ATOM 1350 CB ASN 2 33 8.050 2.409 -6.377 1.00 0.00 C ATOM 1351 CG ASN 2 33 8.827 1.222 -6.952 1.00 0.00 C ATOM 1352 OD1 ASN 2 33 8.266 0.216 -7.355 1.00 0.00 O ATOM 1353 ND2 ASN 2 33 10.146 1.395 -6.967 1.00 0.00 N ATOM 0 H ASN 2 33 6.119 4.055 -6.144 1.00 0.00 H new ATOM 0 HA ASN 2 33 6.301 1.204 -6.726 1.00 0.00 H new ATOM 0 HB2 ASN 2 33 8.063 3.235 -7.088 1.00 0.00 H new ATOM 0 HB3 ASN 2 33 8.538 2.762 -5.469 1.00 0.00 H new ATOM 0 HD21 ASN 2 33 10.753 0.660 -7.331 1.00 0.00 H new ATOM 0 HD22 ASN 2 33 10.551 2.262 -6.614 1.00 0.00 H new ATOM 1360 N ARG 2 34 6.300 2.577 -3.742 1.00 0.00 N ATOM 1361 CA ARG 2 34 6.208 2.320 -2.315 1.00 0.00 C ATOM 1362 C ARG 2 34 4.799 1.848 -1.951 1.00 0.00 C ATOM 1363 O ARG 2 34 4.610 1.159 -0.950 1.00 0.00 O ATOM 1364 CB ARG 2 34 6.544 3.575 -1.507 1.00 0.00 C ATOM 1365 CG ARG 2 34 7.715 4.334 -2.133 1.00 0.00 C ATOM 1366 CD ARG 2 34 8.868 4.481 -1.139 1.00 0.00 C ATOM 1367 NE ARG 2 34 10.149 4.138 -1.796 1.00 0.00 N ATOM 1368 CZ ARG 2 34 11.352 4.518 -1.342 1.00 0.00 C ATOM 1369 NH1 ARG 2 34 11.445 5.256 -0.227 1.00 0.00 N ATOM 1370 NH2 ARG 2 34 12.461 4.159 -2.002 1.00 0.00 N ATOM 0 H ARG 2 34 6.172 3.553 -4.009 1.00 0.00 H new ATOM 0 HA ARG 2 34 6.930 1.541 -2.070 1.00 0.00 H new ATOM 0 HB2 ARG 2 34 5.670 4.225 -1.458 1.00 0.00 H new ATOM 0 HB3 ARG 2 34 6.793 3.297 -0.483 1.00 0.00 H new ATOM 0 HG2 ARG 2 34 8.061 3.806 -3.022 1.00 0.00 H new ATOM 0 HG3 ARG 2 34 7.382 5.320 -2.457 1.00 0.00 H new ATOM 0 HD2 ARG 2 34 8.906 5.503 -0.761 1.00 0.00 H new ATOM 0 HD3 ARG 2 34 8.704 3.830 -0.280 1.00 0.00 H new ATOM 0 HE ARG 2 34 10.115 3.577 -2.647 1.00 0.00 H new ATOM 0 HH11 ARG 2 34 10.601 5.529 0.276 1.00 0.00 H new ATOM 0 HH12 ARG 2 34 12.360 5.545 0.118 1.00 0.00 H new ATOM 0 HH21 ARG 2 34 12.390 3.597 -2.850 1.00 0.00 H new ATOM 0 HH22 ARG 2 34 13.376 4.448 -1.657 1.00 0.00 H new ATOM 1384 N GLY 2 35 3.845 2.240 -2.784 1.00 0.00 N ATOM 1385 CA GLY 2 35 2.458 1.866 -2.561 1.00 0.00 C ATOM 1386 C GLY 2 35 1.587 3.103 -2.337 1.00 0.00 C ATOM 1387 O GLY 2 35 0.527 3.016 -1.720 1.00 0.00 O ATOM 0 H GLY 2 35 4.005 2.812 -3.613 1.00 0.00 H new ATOM 0 HA2 GLY 2 35 2.086 1.305 -3.419 1.00 0.00 H new ATOM 0 HA3 GLY 2 35 2.390 1.207 -1.695 1.00 0.00 H new ATOM 1391 N CYS 2 36 2.065 4.226 -2.851 1.00 0.00 N ATOM 1392 CA CYS 2 36 1.343 5.480 -2.714 1.00 0.00 C ATOM 1393 C CYS 2 36 0.995 5.989 -4.115 1.00 0.00 C ATOM 1394 O CYS 2 36 1.423 5.412 -5.113 1.00 0.00 O ATOM 1395 CB CYS 2 36 2.142 6.509 -1.914 1.00 0.00 C ATOM 1396 SG CYS 2 36 2.658 5.955 -0.249 1.00 0.00 S ATOM 0 H CYS 2 36 2.944 4.294 -3.364 1.00 0.00 H new ATOM 0 HA CYS 2 36 0.425 5.314 -2.150 1.00 0.00 H new ATOM 0 HB2 CYS 2 36 3.031 6.780 -2.483 1.00 0.00 H new ATOM 0 HB3 CYS 2 36 1.542 7.413 -1.811 1.00 0.00 H new ATOM 1401 N CYS 2 37 0.223 7.065 -4.143 1.00 0.00 N ATOM 1402 CA CYS 2 37 -0.187 7.659 -5.405 1.00 0.00 C ATOM 1403 C CYS 2 37 0.379 9.078 -5.474 1.00 0.00 C ATOM 1404 O CYS 2 37 0.237 9.853 -4.529 1.00 0.00 O ATOM 1405 CB CYS 2 37 -1.708 7.641 -5.570 1.00 0.00 C ATOM 1406 SG CYS 2 37 -2.291 7.672 -7.306 1.00 0.00 S ATOM 0 H CYS 2 37 -0.130 7.541 -3.313 1.00 0.00 H new ATOM 0 HA CYS 2 37 0.209 7.071 -6.233 1.00 0.00 H new ATOM 0 HB2 CYS 2 37 -2.102 6.748 -5.085 1.00 0.00 H new ATOM 0 HB3 CYS 2 37 -2.127 8.500 -5.045 1.00 0.00 H new ATOM 0 HG CYS 2 37 -3.591 7.652 -7.328 1.00 0.00 H new ATOM 1411 N PHE 2 38 1.008 9.376 -6.601 1.00 0.00 N ATOM 1412 CA PHE 2 38 1.595 10.690 -6.806 1.00 0.00 C ATOM 1413 C PHE 2 38 0.628 11.614 -7.548 1.00 0.00 C ATOM 1414 O PHE 2 38 0.224 11.322 -8.673 1.00 0.00 O ATOM 1415 CB PHE 2 38 2.849 10.491 -7.661 1.00 0.00 C ATOM 1416 CG PHE 2 38 3.742 11.729 -7.753 1.00 0.00 C ATOM 1417 CD1 PHE 2 38 4.623 12.009 -6.757 1.00 0.00 C ATOM 1418 CD2 PHE 2 38 3.653 12.552 -8.833 1.00 0.00 C ATOM 1419 CE1 PHE 2 38 5.452 13.158 -6.844 1.00 0.00 C ATOM 1420 CE2 PHE 2 38 4.482 13.701 -8.919 1.00 0.00 C ATOM 1421 CZ PHE 2 38 5.365 13.981 -7.923 1.00 0.00 C ATOM 0 H PHE 2 38 1.124 8.730 -7.382 1.00 0.00 H new ATOM 0 HA PHE 2 38 1.826 11.148 -5.844 1.00 0.00 H new ATOM 0 HB2 PHE 2 38 3.430 9.666 -7.249 1.00 0.00 H new ATOM 0 HB3 PHE 2 38 2.548 10.197 -8.667 1.00 0.00 H new ATOM 0 HD1 PHE 2 38 4.692 11.357 -5.899 1.00 0.00 H new ATOM 0 HD2 PHE 2 38 2.952 12.331 -9.624 1.00 0.00 H new ATOM 0 HE1 PHE 2 38 6.153 13.379 -6.052 1.00 0.00 H new ATOM 0 HE2 PHE 2 38 4.412 14.354 -9.776 1.00 0.00 H new ATOM 0 HZ PHE 2 38 5.996 14.855 -7.989 1.00 0.00 H new ATOM 1431 N ASP 2 39 0.285 12.710 -6.888 1.00 0.00 N ATOM 1432 CA ASP 2 39 -0.628 13.679 -7.471 1.00 0.00 C ATOM 1433 C ASP 2 39 0.147 14.596 -8.420 1.00 0.00 C ATOM 1434 O ASP 2 39 0.166 14.371 -9.629 1.00 0.00 O ATOM 1435 CB ASP 2 39 -1.270 14.551 -6.390 1.00 0.00 C ATOM 1436 CG ASP 2 39 -1.544 15.999 -6.804 1.00 0.00 C ATOM 1437 OD1 ASP 2 39 -2.483 16.191 -7.605 1.00 0.00 O ATOM 1438 OD2 ASP 2 39 -0.807 16.879 -6.310 1.00 0.00 O ATOM 0 H ASP 2 39 0.622 12.949 -5.956 1.00 0.00 H new ATOM 0 HA ASP 2 39 -1.407 13.132 -8.002 1.00 0.00 H new ATOM 0 HB2 ASP 2 39 -2.211 14.092 -6.086 1.00 0.00 H new ATOM 0 HB3 ASP 2 39 -0.620 14.556 -5.515 1.00 0.00 H new ATOM 1443 N SER 2 40 0.767 15.612 -7.835 1.00 0.00 N ATOM 1444 CA SER 2 40 1.540 16.564 -8.613 1.00 0.00 C ATOM 1445 C SER 2 40 0.628 17.673 -9.140 1.00 0.00 C ATOM 1446 O SER 2 40 1.089 18.778 -9.424 1.00 0.00 O ATOM 1447 CB SER 2 40 2.260 15.872 -9.773 1.00 0.00 C ATOM 1448 OG SER 2 40 3.542 16.442 -10.023 1.00 0.00 O ATOM 0 H SER 2 40 0.749 15.796 -6.832 1.00 0.00 H new ATOM 0 HA SER 2 40 2.296 17.003 -7.962 1.00 0.00 H new ATOM 0 HB2 SER 2 40 2.373 14.811 -9.548 1.00 0.00 H new ATOM 0 HB3 SER 2 40 1.650 15.944 -10.673 1.00 0.00 H new ATOM 0 HG SER 2 40 3.901 16.084 -10.862 1.00 0.00 H new ATOM 1454 N ARG 2 41 -0.649 17.341 -9.255 1.00 0.00 N ATOM 1455 CA ARG 2 41 -1.630 18.296 -9.743 1.00 0.00 C ATOM 1456 C ARG 2 41 -1.750 19.474 -8.775 1.00 0.00 C ATOM 1457 O ARG 2 41 -1.798 20.628 -9.199 1.00 0.00 O ATOM 1458 CB ARG 2 41 -3.002 17.639 -9.910 1.00 0.00 C ATOM 1459 CG ARG 2 41 -2.868 16.229 -10.487 1.00 0.00 C ATOM 1460 CD ARG 2 41 -4.038 15.905 -11.419 1.00 0.00 C ATOM 1461 NE ARG 2 41 -4.026 16.818 -12.583 1.00 0.00 N ATOM 1462 CZ ARG 2 41 -5.064 16.992 -13.412 1.00 0.00 C ATOM 1463 NH1 ARG 2 41 -6.203 16.315 -13.211 1.00 0.00 N ATOM 1464 NH2 ARG 2 41 -4.963 17.841 -14.444 1.00 0.00 N ATOM 0 H ARG 2 41 -1.028 16.424 -9.019 1.00 0.00 H new ATOM 0 HA ARG 2 41 -1.291 18.654 -10.715 1.00 0.00 H new ATOM 0 HB2 ARG 2 41 -3.508 17.594 -8.945 1.00 0.00 H new ATOM 0 HB3 ARG 2 41 -3.623 18.247 -10.568 1.00 0.00 H new ATOM 0 HG2 ARG 2 41 -1.929 16.143 -11.033 1.00 0.00 H new ATOM 0 HG3 ARG 2 41 -2.832 15.502 -9.676 1.00 0.00 H new ATOM 0 HD2 ARG 2 41 -3.969 14.871 -11.757 1.00 0.00 H new ATOM 0 HD3 ARG 2 41 -4.980 16.002 -10.880 1.00 0.00 H new ATOM 0 HE ARG 2 41 -3.174 17.348 -12.766 1.00 0.00 H new ATOM 0 HH11 ARG 2 41 -6.280 15.667 -12.427 1.00 0.00 H new ATOM 0 HH12 ARG 2 41 -6.993 16.448 -13.842 1.00 0.00 H new ATOM 0 HH21 ARG 2 41 -4.096 18.355 -14.599 1.00 0.00 H new ATOM 0 HH22 ARG 2 41 -5.753 17.973 -15.075 1.00 0.00 H new ATOM 1478 N ILE 2 42 -1.795 19.144 -7.493 1.00 0.00 N ATOM 1479 CA ILE 2 42 -1.909 20.161 -6.461 1.00 0.00 C ATOM 1480 C ILE 2 42 -0.702 20.069 -5.525 1.00 0.00 C ATOM 1481 O ILE 2 42 -0.608 19.146 -4.718 1.00 0.00 O ATOM 1482 CB ILE 2 42 -3.255 20.047 -5.743 1.00 0.00 C ATOM 1483 CG1 ILE 2 42 -4.342 19.538 -6.692 1.00 0.00 C ATOM 1484 CG2 ILE 2 42 -3.641 21.375 -5.089 1.00 0.00 C ATOM 1485 CD1 ILE 2 42 -5.736 19.773 -6.106 1.00 0.00 C ATOM 0 H ILE 2 42 -1.755 18.186 -7.145 1.00 0.00 H new ATOM 0 HA ILE 2 42 -1.894 21.157 -6.904 1.00 0.00 H new ATOM 0 HB ILE 2 42 -3.155 19.312 -4.945 1.00 0.00 H new ATOM 0 HG12 ILE 2 42 -4.257 20.045 -7.653 1.00 0.00 H new ATOM 0 HG13 ILE 2 42 -4.197 18.474 -6.879 1.00 0.00 H new ATOM 0 HG21 ILE 2 42 -4.602 21.267 -4.585 1.00 0.00 H new ATOM 0 HG22 ILE 2 42 -2.880 21.657 -4.362 1.00 0.00 H new ATOM 0 HG23 ILE 2 42 -3.717 22.148 -5.853 1.00 0.00 H new ATOM 0 HD11 ILE 2 42 -6.490 19.402 -6.800 1.00 0.00 H new ATOM 0 HD12 ILE 2 42 -5.826 19.244 -5.157 1.00 0.00 H new ATOM 0 HD13 ILE 2 42 -5.887 20.840 -5.943 1.00 0.00 H new ATOM 1497 N PRO 2 43 0.214 21.064 -5.669 1.00 0.00 N ATOM 1498 CA PRO 2 43 1.410 21.104 -4.846 1.00 0.00 C ATOM 1499 C PRO 2 43 1.083 21.565 -3.424 1.00 0.00 C ATOM 1500 O PRO 2 43 1.961 21.609 -2.564 1.00 0.00 O ATOM 1501 CB PRO 2 43 2.356 22.047 -5.572 1.00 0.00 C ATOM 1502 CG PRO 2 43 1.488 22.858 -6.522 1.00 0.00 C ATOM 1503 CD PRO 2 43 0.135 22.174 -6.615 1.00 0.00 C ATOM 0 HA PRO 2 43 1.866 20.122 -4.720 1.00 0.00 H new ATOM 0 HB2 PRO 2 43 2.877 22.696 -4.868 1.00 0.00 H new ATOM 0 HB3 PRO 2 43 3.119 21.492 -6.118 1.00 0.00 H new ATOM 0 HG2 PRO 2 43 1.375 23.879 -6.158 1.00 0.00 H new ATOM 0 HG3 PRO 2 43 1.953 22.919 -7.506 1.00 0.00 H new ATOM 0 HD2 PRO 2 43 -0.673 22.858 -6.356 1.00 0.00 H new ATOM 0 HD3 PRO 2 43 -0.060 21.819 -7.627 1.00 0.00 H new ATOM 1511 N GLY 2 44 -0.184 21.895 -3.220 1.00 0.00 N ATOM 1512 CA GLY 2 44 -0.639 22.349 -1.917 1.00 0.00 C ATOM 1513 C GLY 2 44 -1.130 21.176 -1.067 1.00 0.00 C ATOM 1514 O GLY 2 44 -1.430 21.343 0.113 1.00 0.00 O ATOM 0 H GLY 2 44 -0.910 21.857 -3.936 1.00 0.00 H new ATOM 0 HA2 GLY 2 44 0.174 22.860 -1.402 1.00 0.00 H new ATOM 0 HA3 GLY 2 44 -1.443 23.074 -2.041 1.00 0.00 H new ATOM 1518 N VAL 2 45 -1.196 20.014 -1.702 1.00 0.00 N ATOM 1519 CA VAL 2 45 -1.646 18.813 -1.020 1.00 0.00 C ATOM 1520 C VAL 2 45 -0.544 17.753 -1.083 1.00 0.00 C ATOM 1521 O VAL 2 45 0.544 18.014 -1.593 1.00 0.00 O ATOM 1522 CB VAL 2 45 -2.971 18.336 -1.618 1.00 0.00 C ATOM 1523 CG1 VAL 2 45 -3.825 19.521 -2.075 1.00 0.00 C ATOM 1524 CG2 VAL 2 45 -2.731 17.356 -2.769 1.00 0.00 C ATOM 0 H VAL 2 45 -0.945 19.880 -2.681 1.00 0.00 H new ATOM 0 HA VAL 2 45 -1.837 19.020 0.033 1.00 0.00 H new ATOM 0 HB VAL 2 45 -3.521 17.809 -0.838 1.00 0.00 H new ATOM 0 HG11 VAL 2 45 -4.761 19.154 -2.496 1.00 0.00 H new ATOM 0 HG12 VAL 2 45 -4.039 20.166 -1.222 1.00 0.00 H new ATOM 0 HG13 VAL 2 45 -3.284 20.088 -2.832 1.00 0.00 H new ATOM 0 HG21 VAL 2 45 -3.689 17.032 -3.177 1.00 0.00 H new ATOM 0 HG22 VAL 2 45 -2.152 17.848 -3.551 1.00 0.00 H new ATOM 0 HG23 VAL 2 45 -2.182 16.490 -2.401 1.00 0.00 H new ATOM 1534 N PRO 2 46 -0.874 16.548 -0.544 1.00 0.00 N ATOM 1535 CA PRO 2 46 0.074 15.448 -0.535 1.00 0.00 C ATOM 1536 C PRO 2 46 0.208 14.828 -1.928 1.00 0.00 C ATOM 1537 O PRO 2 46 -0.767 14.319 -2.481 1.00 0.00 O ATOM 1538 CB PRO 2 46 -0.464 14.474 0.500 1.00 0.00 C ATOM 1539 CG PRO 2 46 -1.926 14.838 0.695 1.00 0.00 C ATOM 1540 CD PRO 2 46 -2.154 16.204 0.068 1.00 0.00 C ATOM 0 HA PRO 2 46 1.084 15.765 -0.277 1.00 0.00 H new ATOM 0 HB2 PRO 2 46 -0.360 13.444 0.158 1.00 0.00 H new ATOM 0 HB3 PRO 2 46 0.087 14.556 1.437 1.00 0.00 H new ATOM 0 HG2 PRO 2 46 -2.570 14.092 0.230 1.00 0.00 H new ATOM 0 HG3 PRO 2 46 -2.176 14.858 1.756 1.00 0.00 H new ATOM 0 HD2 PRO 2 46 -2.952 16.171 -0.674 1.00 0.00 H new ATOM 0 HD3 PRO 2 46 -2.446 16.940 0.817 1.00 0.00 H new ATOM 1548 N TRP 2 47 1.422 14.890 -2.455 1.00 0.00 N ATOM 1549 CA TRP 2 47 1.695 14.341 -3.772 1.00 0.00 C ATOM 1550 C TRP 2 47 2.142 12.889 -3.594 1.00 0.00 C ATOM 1551 O TRP 2 47 2.896 12.364 -4.413 1.00 0.00 O ATOM 1552 CB TRP 2 47 2.720 15.195 -4.520 1.00 0.00 C ATOM 1553 CG TRP 2 47 2.982 16.559 -3.877 1.00 0.00 C ATOM 1554 CD1 TRP 2 47 2.203 17.649 -3.909 1.00 0.00 C ATOM 1555 CD2 TRP 2 47 4.138 16.936 -3.102 1.00 0.00 C ATOM 1556 NE1 TRP 2 47 2.771 18.696 -3.213 1.00 0.00 N ATOM 1557 CE2 TRP 2 47 3.984 18.249 -2.706 1.00 0.00 C ATOM 1558 CE3 TRP 2 47 5.277 16.192 -2.744 1.00 0.00 C ATOM 1559 CZ2 TRP 2 47 4.931 18.933 -1.934 1.00 0.00 C ATOM 1560 CZ3 TRP 2 47 6.213 16.890 -1.973 1.00 0.00 C ATOM 1561 CH2 TRP 2 47 6.074 18.212 -1.567 1.00 0.00 C ATOM 0 H TRP 2 47 2.228 15.312 -1.994 1.00 0.00 H new ATOM 0 HA TRP 2 47 0.798 14.356 -4.391 1.00 0.00 H new ATOM 0 HB2 TRP 2 47 3.660 14.647 -4.580 1.00 0.00 H new ATOM 0 HB3 TRP 2 47 2.374 15.347 -5.542 1.00 0.00 H new ATOM 0 HD1 TRP 2 47 1.251 17.701 -4.416 1.00 0.00 H new ATOM 0 HE1 TRP 2 47 2.373 19.627 -3.093 1.00 0.00 H new ATOM 0 HE3 TRP 2 47 5.418 15.163 -3.041 1.00 0.00 H new ATOM 0 HZ2 TRP 2 47 4.788 19.962 -1.637 1.00 0.00 H new ATOM 0 HZ3 TRP 2 47 7.107 16.364 -1.672 1.00 0.00 H new ATOM 0 HH2 TRP 2 47 6.844 18.681 -0.972 1.00 0.00 H new ATOM 1572 N CYS 2 48 1.659 12.280 -2.522 1.00 0.00 N ATOM 1573 CA CYS 2 48 1.999 10.899 -2.227 1.00 0.00 C ATOM 1574 C CYS 2 48 1.058 10.396 -1.130 1.00 0.00 C ATOM 1575 O CYS 2 48 1.210 10.753 0.036 1.00 0.00 O ATOM 1576 CB CYS 2 48 3.469 10.751 -1.829 1.00 0.00 C ATOM 1577 SG CYS 2 48 4.103 9.035 -1.859 1.00 0.00 S ATOM 0 H CYS 2 48 1.034 12.718 -1.846 1.00 0.00 H new ATOM 0 HA CYS 2 48 1.870 10.291 -3.122 1.00 0.00 H new ATOM 0 HB2 CYS 2 48 4.076 11.359 -2.500 1.00 0.00 H new ATOM 0 HB3 CYS 2 48 3.602 11.155 -0.825 1.00 0.00 H new ATOM 1582 N PHE 2 49 0.105 9.573 -1.544 1.00 0.00 N ATOM 1583 CA PHE 2 49 -0.860 9.017 -0.612 1.00 0.00 C ATOM 1584 C PHE 2 49 -1.215 7.576 -0.984 1.00 0.00 C ATOM 1585 O PHE 2 49 -0.566 6.974 -1.839 1.00 0.00 O ATOM 1586 CB PHE 2 49 -2.121 9.879 -0.706 1.00 0.00 C ATOM 1587 CG PHE 2 49 -2.326 10.535 -2.073 1.00 0.00 C ATOM 1588 CD1 PHE 2 49 -1.467 11.500 -2.499 1.00 0.00 C ATOM 1589 CD2 PHE 2 49 -3.366 10.154 -2.861 1.00 0.00 C ATOM 1590 CE1 PHE 2 49 -1.657 12.110 -3.769 1.00 0.00 C ATOM 1591 CE2 PHE 2 49 -3.556 10.764 -4.129 1.00 0.00 C ATOM 1592 CZ PHE 2 49 -2.698 11.728 -4.556 1.00 0.00 C ATOM 0 H PHE 2 49 -0.019 9.278 -2.513 1.00 0.00 H new ATOM 0 HA PHE 2 49 -0.443 9.012 0.395 1.00 0.00 H new ATOM 0 HB2 PHE 2 49 -2.989 9.261 -0.477 1.00 0.00 H new ATOM 0 HB3 PHE 2 49 -2.074 10.657 0.056 1.00 0.00 H new ATOM 0 HD1 PHE 2 49 -0.641 11.803 -1.873 1.00 0.00 H new ATOM 0 HD2 PHE 2 49 -4.048 9.388 -2.523 1.00 0.00 H new ATOM 0 HE1 PHE 2 49 -0.975 12.876 -4.108 1.00 0.00 H new ATOM 0 HE2 PHE 2 49 -4.383 10.462 -4.755 1.00 0.00 H new ATOM 0 HZ PHE 2 49 -2.843 12.191 -5.521 1.00 0.00 H new ATOM 1602 N LYS 2 50 -2.242 7.063 -0.323 1.00 0.00 N ATOM 1603 CA LYS 2 50 -2.691 5.704 -0.574 1.00 0.00 C ATOM 1604 C LYS 2 50 -4.166 5.724 -0.980 1.00 0.00 C ATOM 1605 O LYS 2 50 -5.028 5.279 -0.224 1.00 0.00 O ATOM 1606 CB LYS 2 50 -2.398 4.812 0.635 1.00 0.00 C ATOM 1607 CG LYS 2 50 -2.016 5.651 1.855 1.00 0.00 C ATOM 1608 CD LYS 2 50 -0.508 5.912 1.892 1.00 0.00 C ATOM 1609 CE LYS 2 50 0.277 4.610 1.722 1.00 0.00 C ATOM 1610 NZ LYS 2 50 -0.391 3.503 2.441 1.00 0.00 N ATOM 0 H LYS 2 50 -2.776 7.564 0.387 1.00 0.00 H new ATOM 0 HA LYS 2 50 -2.138 5.268 -1.406 1.00 0.00 H new ATOM 0 HB2 LYS 2 50 -3.274 4.206 0.866 1.00 0.00 H new ATOM 0 HB3 LYS 2 50 -1.588 4.123 0.395 1.00 0.00 H new ATOM 0 HG2 LYS 2 50 -2.552 6.600 1.831 1.00 0.00 H new ATOM 0 HG3 LYS 2 50 -2.322 5.135 2.765 1.00 0.00 H new ATOM 0 HD2 LYS 2 50 -0.237 6.611 1.101 1.00 0.00 H new ATOM 0 HD3 LYS 2 50 -0.240 6.382 2.838 1.00 0.00 H new ATOM 0 HE2 LYS 2 50 0.361 4.365 0.663 1.00 0.00 H new ATOM 0 HE3 LYS 2 50 1.291 4.738 2.101 1.00 0.00 H new ATOM 0 HZ1 LYS 2 50 0.306 2.765 2.667 1.00 0.00 H new ATOM 0 HZ2 LYS 2 50 -0.811 3.864 3.321 1.00 0.00 H new ATOM 0 HZ3 LYS 2 50 -1.138 3.100 1.841 1.00 0.00 H new ATOM 1624 N PRO 2 51 -4.417 6.259 -2.205 1.00 0.00 N ATOM 1625 CA PRO 2 51 -5.772 6.343 -2.721 1.00 0.00 C ATOM 1626 C PRO 2 51 -6.271 4.971 -3.180 1.00 0.00 C ATOM 1627 O PRO 2 51 -6.703 4.159 -2.363 1.00 0.00 O ATOM 1628 CB PRO 2 51 -5.701 7.358 -3.851 1.00 0.00 C ATOM 1629 CG PRO 2 51 -4.233 7.456 -4.231 1.00 0.00 C ATOM 1630 CD PRO 2 51 -3.421 6.796 -3.127 1.00 0.00 C ATOM 0 HA PRO 2 51 -6.491 6.658 -1.965 1.00 0.00 H new ATOM 0 HB2 PRO 2 51 -6.304 7.039 -4.701 1.00 0.00 H new ATOM 0 HB3 PRO 2 51 -6.087 8.326 -3.532 1.00 0.00 H new ATOM 0 HG2 PRO 2 51 -4.052 6.962 -5.186 1.00 0.00 H new ATOM 0 HG3 PRO 2 51 -3.938 8.499 -4.351 1.00 0.00 H new ATOM 0 HD2 PRO 2 51 -2.782 6.007 -3.523 1.00 0.00 H new ATOM 0 HD3 PRO 2 51 -2.769 7.515 -2.631 1.00 0.00 H new ATOM 1638 N LEU 2 52 -6.193 4.755 -4.484 1.00 0.00 N ATOM 1639 CA LEU 2 52 -6.631 3.496 -5.061 1.00 0.00 C ATOM 1640 C LEU 2 52 -5.440 2.540 -5.154 1.00 0.00 C ATOM 1641 O LEU 2 52 -5.344 1.750 -6.092 1.00 0.00 O ATOM 1642 CB LEU 2 52 -7.333 3.735 -6.399 1.00 0.00 C ATOM 1643 CG LEU 2 52 -6.428 3.786 -7.632 1.00 0.00 C ATOM 1644 CD1 LEU 2 52 -6.685 2.593 -8.553 1.00 0.00 C ATOM 1645 CD2 LEU 2 52 -6.580 5.120 -8.368 1.00 0.00 C ATOM 0 H LEU 2 52 -5.833 5.431 -5.158 1.00 0.00 H new ATOM 0 HA LEU 2 52 -7.372 3.021 -4.419 1.00 0.00 H new ATOM 0 HB2 LEU 2 52 -8.070 2.945 -6.546 1.00 0.00 H new ATOM 0 HB3 LEU 2 52 -7.881 4.675 -6.336 1.00 0.00 H new ATOM 0 HG LEU 2 52 -5.393 3.717 -7.298 1.00 0.00 H new ATOM 0 HD11 LEU 2 52 -6.028 2.655 -9.421 1.00 0.00 H new ATOM 0 HD12 LEU 2 52 -6.486 1.667 -8.013 1.00 0.00 H new ATOM 0 HD13 LEU 2 52 -7.724 2.605 -8.883 1.00 0.00 H new ATOM 0 HD21 LEU 2 52 -5.926 5.131 -9.240 1.00 0.00 H new ATOM 0 HD22 LEU 2 52 -7.615 5.243 -8.688 1.00 0.00 H new ATOM 0 HD23 LEU 2 52 -6.307 5.937 -7.700 1.00 0.00 H new ATOM 1657 N GLN 2 53 -4.560 2.644 -4.168 1.00 0.00 N ATOM 1658 CA GLN 2 53 -3.379 1.800 -4.126 1.00 0.00 C ATOM 1659 C GLN 2 53 -3.770 0.331 -4.305 1.00 0.00 C ATOM 1660 O GLN 2 53 -2.932 -0.500 -4.650 1.00 0.00 O ATOM 1661 CB GLN 2 53 -2.602 2.007 -2.825 1.00 0.00 C ATOM 1662 CG GLN 2 53 -2.085 3.443 -2.717 1.00 0.00 C ATOM 1663 CD GLN 2 53 -1.184 3.792 -3.903 1.00 0.00 C ATOM 1664 OE1 GLN 2 53 -1.271 4.857 -4.492 1.00 0.00 O ATOM 1665 NE2 GLN 2 53 -0.314 2.837 -4.220 1.00 0.00 N ATOM 0 H GLN 2 53 -4.642 3.301 -3.392 1.00 0.00 H new ATOM 0 HA GLN 2 53 -2.724 2.084 -4.950 1.00 0.00 H new ATOM 0 HB2 GLN 2 53 -3.245 1.783 -1.974 1.00 0.00 H new ATOM 0 HB3 GLN 2 53 -1.764 1.311 -2.783 1.00 0.00 H new ATOM 0 HG2 GLN 2 53 -2.927 4.134 -2.679 1.00 0.00 H new ATOM 0 HG3 GLN 2 53 -1.531 3.565 -1.786 1.00 0.00 H new ATOM 0 HE21 GLN 2 53 -0.293 1.968 -3.686 1.00 0.00 H new ATOM 0 HE22 GLN 2 53 0.332 2.973 -4.997 1.00 0.00 H new ATOM 1674 N GLU 2 54 -5.042 0.057 -4.060 1.00 0.00 N ATOM 1675 CA GLU 2 54 -5.554 -1.296 -4.189 1.00 0.00 C ATOM 1676 C GLU 2 54 -4.940 -1.982 -5.411 1.00 0.00 C ATOM 1677 O GLU 2 54 -4.838 -3.208 -5.454 1.00 0.00 O ATOM 1678 CB GLU 2 54 -7.082 -1.300 -4.268 1.00 0.00 C ATOM 1679 CG GLU 2 54 -7.556 -1.192 -5.719 1.00 0.00 C ATOM 1680 CD GLU 2 54 -7.866 -2.573 -6.299 1.00 0.00 C ATOM 1681 OE1 GLU 2 54 -6.923 -3.183 -6.847 1.00 0.00 O ATOM 1682 OE2 GLU 2 54 -9.040 -2.987 -6.181 1.00 0.00 O ATOM 0 H GLU 2 54 -5.734 0.749 -3.773 1.00 0.00 H new ATOM 0 HA GLU 2 54 -5.268 -1.857 -3.300 1.00 0.00 H new ATOM 0 HB2 GLU 2 54 -7.470 -2.216 -3.822 1.00 0.00 H new ATOM 0 HB3 GLU 2 54 -7.482 -0.468 -3.688 1.00 0.00 H new ATOM 0 HG2 GLU 2 54 -8.446 -0.565 -5.769 1.00 0.00 H new ATOM 0 HG3 GLU 2 54 -6.789 -0.705 -6.321 1.00 0.00 H new ATOM 1689 N ALA 2 55 -4.548 -1.163 -6.375 1.00 0.00 N ATOM 1690 CA ALA 2 55 -3.947 -1.675 -7.594 1.00 0.00 C ATOM 1691 C ALA 2 55 -3.134 -2.929 -7.270 1.00 0.00 C ATOM 1692 O ALA 2 55 -3.417 -4.008 -7.787 1.00 0.00 O ATOM 1693 CB ALA 2 55 -3.097 -0.581 -8.243 1.00 0.00 C ATOM 0 H ALA 2 55 -4.635 -0.147 -6.337 1.00 0.00 H new ATOM 0 HA ALA 2 55 -4.717 -1.958 -8.311 1.00 0.00 H new ATOM 0 HB1 ALA 2 55 -2.646 -0.965 -9.158 1.00 0.00 H new ATOM 0 HB2 ALA 2 55 -3.727 0.276 -8.481 1.00 0.00 H new ATOM 0 HB3 ALA 2 55 -2.312 -0.273 -7.553 1.00 0.00 H new ATOM 1699 N GLU 2 56 -2.139 -2.746 -6.414 1.00 0.00 N ATOM 1700 CA GLU 2 56 -1.284 -3.849 -6.013 1.00 0.00 C ATOM 1701 C GLU 2 56 -0.907 -3.720 -4.536 1.00 0.00 C ATOM 1702 O GLU 2 56 0.047 -4.348 -4.077 1.00 0.00 O ATOM 1703 CB GLU 2 56 -0.034 -3.921 -6.892 1.00 0.00 C ATOM 1704 CG GLU 2 56 0.242 -5.359 -7.337 1.00 0.00 C ATOM 1705 CD GLU 2 56 1.589 -5.461 -8.057 1.00 0.00 C ATOM 1706 OE1 GLU 2 56 1.737 -4.767 -9.086 1.00 0.00 O ATOM 1707 OE2 GLU 2 56 2.440 -6.233 -7.561 1.00 0.00 O ATOM 0 H GLU 2 56 -1.906 -1.849 -5.987 1.00 0.00 H new ATOM 0 HA GLU 2 56 -1.838 -4.778 -6.147 1.00 0.00 H new ATOM 0 HB2 GLU 2 56 -0.163 -3.284 -7.767 1.00 0.00 H new ATOM 0 HB3 GLU 2 56 0.824 -3.536 -6.342 1.00 0.00 H new ATOM 0 HG2 GLU 2 56 0.238 -6.019 -6.470 1.00 0.00 H new ATOM 0 HG3 GLU 2 56 -0.555 -5.698 -7.999 1.00 0.00 H new ATOM 1714 N CYS 2 57 -1.676 -2.903 -3.831 1.00 0.00 N ATOM 1715 CA CYS 2 57 -1.435 -2.683 -2.415 1.00 0.00 C ATOM 1716 C CYS 2 57 -2.351 -3.618 -1.621 1.00 0.00 C ATOM 1717 O CYS 2 57 -1.890 -4.344 -0.743 1.00 0.00 O ATOM 1718 CB CYS 2 57 -1.641 -1.217 -2.028 1.00 0.00 C ATOM 1719 SG CYS 2 57 -0.383 -0.542 -0.883 1.00 0.00 S ATOM 0 H CYS 2 57 -2.467 -2.385 -4.214 1.00 0.00 H new ATOM 0 HA CYS 2 57 -0.395 -2.910 -2.180 1.00 0.00 H new ATOM 0 HB2 CYS 2 57 -1.647 -0.614 -2.936 1.00 0.00 H new ATOM 0 HB3 CYS 2 57 -2.624 -1.112 -1.569 1.00 0.00 H new ATOM 1724 N THR 2 58 -3.630 -3.568 -1.961 1.00 0.00 N ATOM 1725 CA THR 2 58 -4.614 -4.402 -1.291 1.00 0.00 C ATOM 1726 C THR 2 58 -4.384 -5.876 -1.629 1.00 0.00 C ATOM 1727 O THR 2 58 -4.408 -6.731 -0.745 1.00 0.00 O ATOM 1728 CB THR 2 58 -6.005 -3.898 -1.682 1.00 0.00 C ATOM 1729 OG1 THR 2 58 -6.864 -4.444 -0.685 1.00 0.00 O ATOM 1730 CG2 THR 2 58 -6.506 -4.519 -2.987 1.00 0.00 C ATOM 0 H THR 2 58 -4.008 -2.964 -2.691 1.00 0.00 H new ATOM 0 HA THR 2 58 -4.520 -4.332 -0.207 1.00 0.00 H new ATOM 0 HB THR 2 58 -5.984 -2.813 -1.781 1.00 0.00 H new ATOM 0 HG1 THR 2 58 -7.787 -4.166 -0.860 1.00 0.00 H new ATOM 0 HG21 THR 2 58 -7.497 -4.128 -3.219 1.00 0.00 H new ATOM 0 HG22 THR 2 58 -5.819 -4.270 -3.796 1.00 0.00 H new ATOM 0 HG23 THR 2 58 -6.560 -5.602 -2.877 1.00 0.00 H new ATOM 1738 N PHE 2 59 -4.167 -6.129 -2.912 1.00 0.00 N ATOM 1739 CA PHE 2 59 -3.932 -7.485 -3.378 1.00 0.00 C ATOM 1740 C PHE 2 59 -3.162 -8.298 -2.335 1.00 0.00 C ATOM 1741 O PHE 2 59 -2.595 -9.342 -2.652 1.00 0.00 O ATOM 1742 CB PHE 2 59 -3.088 -7.380 -4.651 1.00 0.00 C ATOM 1743 CG PHE 2 59 -3.817 -7.830 -5.918 1.00 0.00 C ATOM 1744 CD1 PHE 2 59 -4.429 -9.044 -5.957 1.00 0.00 C ATOM 1745 CD2 PHE 2 59 -3.852 -7.017 -7.008 1.00 0.00 C ATOM 1746 CE1 PHE 2 59 -5.105 -9.462 -7.133 1.00 0.00 C ATOM 1747 CE2 PHE 2 59 -4.528 -7.434 -8.184 1.00 0.00 C ATOM 1748 CZ PHE 2 59 -5.139 -8.649 -8.223 1.00 0.00 C ATOM 0 H PHE 2 59 -4.149 -5.418 -3.643 1.00 0.00 H new ATOM 0 HA PHE 2 59 -4.883 -7.986 -3.560 1.00 0.00 H new ATOM 0 HB2 PHE 2 59 -2.766 -6.346 -4.777 1.00 0.00 H new ATOM 0 HB3 PHE 2 59 -2.188 -7.982 -4.529 1.00 0.00 H new ATOM 0 HD1 PHE 2 59 -4.401 -9.691 -5.092 1.00 0.00 H new ATOM 0 HD2 PHE 2 59 -3.365 -6.053 -6.978 1.00 0.00 H new ATOM 0 HE1 PHE 2 59 -5.592 -10.425 -7.162 1.00 0.00 H new ATOM 0 HE2 PHE 2 59 -4.557 -6.787 -9.048 1.00 0.00 H new ATOM 0 HZ PHE 2 59 -5.651 -8.968 -9.119 1.00 0.00 H new