USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=13 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 -153:sc= -3.87! USER MOD Set 1.2: 2 23 TYR OH : rot 34:sc= -1.34! USER MOD Single : 1 25 HIS : no HD1:sc= -0.223 X(o=-0.22,f=-0.029) USER MOD Single : 1 27 THR OG1 : rot 59:sc= 0.0416 USER MOD Single : 1 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 32 ASN :FLIP amide:sc= -0.232 F(o=-2.3,f=-0.23) USER MOD Single : 1 33 ASN : amide:sc= -0.0435 K(o=-0.043,f=-1.6!) USER MOD Single : 1 37 CYS SG : rot 180:sc= -0.0691 USER MOD Single : 1 40 SER OG : rot 110:sc= 0.406 USER MOD Single : 1 50 LYS NZ :NH3+ -145:sc= -1.75 (180deg=-2.68!) USER MOD Single : 1 53 GLN : amide:sc= -11.5! C(o=-11!,f=-17!) USER MOD Single : 1 58 THR OG1 : rot -110:sc= -1.82 USER MOD Single : 2 25 HIS : no HD1:sc= -0.26 X(o=-0.26,f=0) USER MOD Single : 2 27 THR OG1 : rot 180:sc= -0.0587 USER MOD Single : 2 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 2 32 ASN :FLIP amide:sc= -0.187 F(o=-1.6,f=-0.19) USER MOD Single : 2 33 ASN : amide:sc= -0.0558 X(o=-0.056,f=-0.19) USER MOD Single : 2 37 CYS SG : rot 180:sc= -0.109 USER MOD Single : 2 40 SER OG : rot 180:sc=-0.000258 USER MOD Single : 2 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 2 53 GLN : amide:sc= -17! C(o=-17!,f=-26!) USER MOD Single : 2 58 THR OG1 : rot 180:sc= -1.91 USER MOD ----------------------------------------------------------------- ATOM 228 N ASP 1 17 2.498 -16.735 -2.396 1.00 0.00 N ATOM 229 CA ASP 1 17 1.439 -16.064 -3.130 1.00 0.00 C ATOM 230 C ASP 1 17 1.652 -14.551 -3.055 1.00 0.00 C ATOM 231 O ASP 1 17 1.202 -13.813 -3.931 1.00 0.00 O ATOM 232 CB ASP 1 17 0.068 -16.379 -2.528 1.00 0.00 C ATOM 233 CG ASP 1 17 -1.124 -16.074 -3.439 1.00 0.00 C ATOM 234 OD1 ASP 1 17 -0.868 -15.612 -4.572 1.00 0.00 O ATOM 235 OD2 ASP 1 17 -2.263 -16.308 -2.981 1.00 0.00 O ATOM 0 HA ASP 1 17 1.469 -16.414 -4.162 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 0.040 -17.435 -2.259 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 -0.045 -15.812 -1.604 1.00 0.00 H new ATOM 240 N ARG 1 18 2.337 -14.132 -2.001 1.00 0.00 N ATOM 241 CA ARG 1 18 2.614 -12.721 -1.801 1.00 0.00 C ATOM 242 C ARG 1 18 3.198 -12.109 -3.076 1.00 0.00 C ATOM 243 O ARG 1 18 3.354 -12.796 -4.084 1.00 0.00 O ATOM 244 CB ARG 1 18 3.597 -12.511 -0.648 1.00 0.00 C ATOM 245 CG ARG 1 18 3.099 -13.193 0.628 1.00 0.00 C ATOM 246 CD ARG 1 18 4.261 -13.809 1.409 1.00 0.00 C ATOM 247 NE ARG 1 18 3.779 -14.324 2.712 1.00 0.00 N ATOM 248 CZ ARG 1 18 4.557 -14.484 3.790 1.00 0.00 C ATOM 249 NH1 ARG 1 18 5.859 -14.171 3.730 1.00 0.00 N ATOM 250 NH2 ARG 1 18 4.034 -14.957 4.930 1.00 0.00 N ATOM 0 H ARG 1 18 2.708 -14.746 -1.276 1.00 0.00 H new ATOM 0 HA ARG 1 18 1.672 -12.230 -1.556 1.00 0.00 H new ATOM 0 HB2 ARG 1 18 4.574 -12.911 -0.921 1.00 0.00 H new ATOM 0 HB3 ARG 1 18 3.728 -11.444 -0.467 1.00 0.00 H new ATOM 0 HG2 ARG 1 18 2.580 -12.467 1.254 1.00 0.00 H new ATOM 0 HG3 ARG 1 18 2.377 -13.968 0.372 1.00 0.00 H new ATOM 0 HD2 ARG 1 18 4.709 -14.618 0.832 1.00 0.00 H new ATOM 0 HD3 ARG 1 18 5.039 -13.062 1.569 1.00 0.00 H new ATOM 0 HE ARG 1 18 2.793 -14.572 2.793 1.00 0.00 H new ATOM 0 HH11 ARG 1 18 6.257 -13.811 2.863 1.00 0.00 H new ATOM 0 HH12 ARG 1 18 6.451 -14.293 4.551 1.00 0.00 H new ATOM 0 HH21 ARG 1 18 3.043 -15.195 4.976 1.00 0.00 H new ATOM 0 HH22 ARG 1 18 4.627 -15.079 5.751 1.00 0.00 H new ATOM 264 N VAL 1 19 3.504 -10.822 -2.991 1.00 0.00 N ATOM 265 CA VAL 1 19 4.066 -10.110 -4.125 1.00 0.00 C ATOM 266 C VAL 1 19 5.490 -9.664 -3.788 1.00 0.00 C ATOM 267 O VAL 1 19 6.027 -8.757 -4.421 1.00 0.00 O ATOM 268 CB VAL 1 19 3.152 -8.946 -4.517 1.00 0.00 C ATOM 269 CG1 VAL 1 19 3.617 -8.300 -5.824 1.00 0.00 C ATOM 270 CG2 VAL 1 19 1.695 -9.402 -4.619 1.00 0.00 C ATOM 0 H VAL 1 19 3.373 -10.255 -2.154 1.00 0.00 H new ATOM 0 HA VAL 1 19 4.128 -10.765 -4.994 1.00 0.00 H new ATOM 0 HB VAL 1 19 3.213 -8.194 -3.731 1.00 0.00 H new ATOM 0 HG11 VAL 1 19 2.951 -7.476 -6.080 1.00 0.00 H new ATOM 0 HG12 VAL 1 19 4.632 -7.921 -5.702 1.00 0.00 H new ATOM 0 HG13 VAL 1 19 3.600 -9.042 -6.623 1.00 0.00 H new ATOM 0 HG21 VAL 1 19 1.068 -8.556 -4.899 1.00 0.00 H new ATOM 0 HG22 VAL 1 19 1.610 -10.182 -5.375 1.00 0.00 H new ATOM 0 HG23 VAL 1 19 1.368 -9.793 -3.656 1.00 0.00 H new ATOM 280 N ASP 1 20 6.060 -10.323 -2.789 1.00 0.00 N ATOM 281 CA ASP 1 20 7.412 -10.006 -2.359 1.00 0.00 C ATOM 282 C ASP 1 20 7.662 -8.507 -2.540 1.00 0.00 C ATOM 283 O ASP 1 20 8.157 -8.077 -3.580 1.00 0.00 O ATOM 284 CB ASP 1 20 8.447 -10.761 -3.195 1.00 0.00 C ATOM 285 CG ASP 1 20 9.802 -10.063 -3.332 1.00 0.00 C ATOM 286 OD1 ASP 1 20 10.315 -9.611 -2.287 1.00 0.00 O ATOM 287 OD2 ASP 1 20 10.292 -9.996 -4.481 1.00 0.00 O ATOM 0 H ASP 1 20 5.611 -11.074 -2.265 1.00 0.00 H new ATOM 0 HA ASP 1 20 7.510 -10.298 -1.313 1.00 0.00 H new ATOM 0 HB2 ASP 1 20 8.605 -11.743 -2.750 1.00 0.00 H new ATOM 0 HB3 ASP 1 20 8.037 -10.925 -4.192 1.00 0.00 H new ATOM 292 N CYS 1 21 7.306 -7.753 -1.509 1.00 0.00 N ATOM 293 CA CYS 1 21 7.486 -6.311 -1.541 1.00 0.00 C ATOM 294 C CYS 1 21 8.917 -6.015 -1.995 1.00 0.00 C ATOM 295 O CYS 1 21 9.156 -5.041 -2.707 1.00 0.00 O ATOM 296 CB CYS 1 21 7.173 -5.673 -0.187 1.00 0.00 C ATOM 297 SG CYS 1 21 6.345 -4.043 -0.279 1.00 0.00 S ATOM 0 H CYS 1 21 6.895 -8.113 -0.648 1.00 0.00 H new ATOM 0 HA CYS 1 21 6.784 -5.869 -2.248 1.00 0.00 H new ATOM 0 HB2 CYS 1 21 6.541 -6.354 0.382 1.00 0.00 H new ATOM 0 HB3 CYS 1 21 8.103 -5.561 0.370 1.00 0.00 H new ATOM 302 N GLY 1 22 9.829 -6.873 -1.565 1.00 0.00 N ATOM 303 CA GLY 1 22 11.230 -6.715 -1.918 1.00 0.00 C ATOM 304 C GLY 1 22 11.718 -5.299 -1.607 1.00 0.00 C ATOM 305 O GLY 1 22 12.145 -4.574 -2.505 1.00 0.00 O ATOM 0 H GLY 1 22 9.626 -7.680 -0.975 1.00 0.00 H new ATOM 0 HA2 GLY 1 22 11.831 -7.439 -1.368 1.00 0.00 H new ATOM 0 HA3 GLY 1 22 11.367 -6.926 -2.979 1.00 0.00 H new ATOM 309 N TYR 1 23 11.639 -4.946 -0.333 1.00 0.00 N ATOM 310 CA TYR 1 23 12.067 -3.629 0.108 1.00 0.00 C ATOM 311 C TYR 1 23 13.531 -3.648 0.551 1.00 0.00 C ATOM 312 O TYR 1 23 13.978 -4.602 1.188 1.00 0.00 O ATOM 313 CB TYR 1 23 11.188 -3.280 1.311 1.00 0.00 C ATOM 314 CG TYR 1 23 10.232 -2.111 1.065 1.00 0.00 C ATOM 315 CD1 TYR 1 23 10.689 -0.813 1.165 1.00 0.00 C ATOM 316 CD2 TYR 1 23 8.912 -2.355 0.741 1.00 0.00 C ATOM 317 CE1 TYR 1 23 9.790 0.288 0.934 1.00 0.00 C ATOM 318 CE2 TYR 1 23 8.013 -1.254 0.509 1.00 0.00 C ATOM 319 CZ TYR 1 23 8.496 0.013 0.617 1.00 0.00 C ATOM 320 OH TYR 1 23 7.647 1.052 0.398 1.00 0.00 O ATOM 0 H TYR 1 23 11.285 -5.549 0.409 1.00 0.00 H new ATOM 0 HA TYR 1 23 11.975 -2.905 -0.702 1.00 0.00 H new ATOM 0 HB2 TYR 1 23 10.607 -4.159 1.590 1.00 0.00 H new ATOM 0 HB3 TYR 1 23 11.829 -3.039 2.159 1.00 0.00 H new ATOM 0 HD1 TYR 1 23 11.722 -0.623 1.417 1.00 0.00 H new ATOM 0 HD2 TYR 1 23 8.554 -3.371 0.662 1.00 0.00 H new ATOM 0 HE1 TYR 1 23 10.135 1.308 1.011 1.00 0.00 H new ATOM 0 HE2 TYR 1 23 6.978 -1.430 0.255 1.00 0.00 H new ATOM 0 HH TYR 1 23 6.730 0.775 0.605 1.00 0.00 H new ATOM 330 N PRO 1 24 14.256 -2.556 0.188 1.00 0.00 N ATOM 331 CA PRO 1 24 15.660 -2.440 0.541 1.00 0.00 C ATOM 332 C PRO 1 24 15.827 -2.099 2.024 1.00 0.00 C ATOM 333 O PRO 1 24 16.944 -2.081 2.538 1.00 0.00 O ATOM 334 CB PRO 1 24 16.209 -1.363 -0.381 1.00 0.00 C ATOM 335 CG PRO 1 24 15.001 -0.593 -0.889 1.00 0.00 C ATOM 336 CD PRO 1 24 13.760 -1.409 -0.565 1.00 0.00 C ATOM 0 HA PRO 1 24 16.205 -3.375 0.410 1.00 0.00 H new ATOM 0 HB2 PRO 1 24 16.895 -0.705 0.152 1.00 0.00 H new ATOM 0 HB3 PRO 1 24 16.767 -1.804 -1.207 1.00 0.00 H new ATOM 0 HG2 PRO 1 24 14.947 0.388 -0.417 1.00 0.00 H new ATOM 0 HG3 PRO 1 24 15.079 -0.426 -1.963 1.00 0.00 H new ATOM 0 HD2 PRO 1 24 13.047 -0.829 0.021 1.00 0.00 H new ATOM 0 HD3 PRO 1 24 13.245 -1.724 -1.473 1.00 0.00 H new ATOM 344 N HIS 1 25 14.699 -1.837 2.667 1.00 0.00 N ATOM 345 CA HIS 1 25 14.706 -1.499 4.081 1.00 0.00 C ATOM 346 C HIS 1 25 13.834 -2.493 4.850 1.00 0.00 C ATOM 347 O HIS 1 25 13.501 -2.263 6.012 1.00 0.00 O ATOM 348 CB HIS 1 25 14.276 -0.046 4.293 1.00 0.00 C ATOM 349 CG HIS 1 25 15.278 0.784 5.060 1.00 0.00 C ATOM 350 ND1 HIS 1 25 15.502 2.124 4.793 1.00 0.00 N ATOM 351 CD2 HIS 1 25 16.110 0.451 6.088 1.00 0.00 C ATOM 352 CE1 HIS 1 25 16.431 2.566 5.629 1.00 0.00 C ATOM 353 NE2 HIS 1 25 16.806 1.528 6.430 1.00 0.00 N ATOM 0 H HIS 1 25 13.775 -1.852 2.236 1.00 0.00 H new ATOM 0 HA HIS 1 25 15.720 -1.579 4.473 1.00 0.00 H new ATOM 0 HB2 HIS 1 25 14.104 0.417 3.321 1.00 0.00 H new ATOM 0 HB3 HIS 1 25 13.325 -0.033 4.825 1.00 0.00 H new ATOM 0 HD2 HIS 1 25 16.189 -0.524 6.546 1.00 0.00 H new ATOM 0 HE1 HIS 1 25 16.822 3.572 5.669 1.00 0.00 H new ATOM 0 HE2 HIS 1 25 17.506 1.572 7.170 1.00 0.00 H new ATOM 362 N VAL 1 26 13.489 -3.577 4.172 1.00 0.00 N ATOM 363 CA VAL 1 26 12.662 -4.608 4.778 1.00 0.00 C ATOM 364 C VAL 1 26 13.042 -4.759 6.253 1.00 0.00 C ATOM 365 O VAL 1 26 14.216 -4.926 6.581 1.00 0.00 O ATOM 366 CB VAL 1 26 12.792 -5.913 3.990 1.00 0.00 C ATOM 367 CG1 VAL 1 26 14.259 -6.227 3.687 1.00 0.00 C ATOM 368 CG2 VAL 1 26 12.127 -7.072 4.736 1.00 0.00 C ATOM 0 H VAL 1 26 13.767 -3.765 3.209 1.00 0.00 H new ATOM 0 HA VAL 1 26 11.610 -4.325 4.741 1.00 0.00 H new ATOM 0 HB VAL 1 26 12.274 -5.784 3.040 1.00 0.00 H new ATOM 0 HG11 VAL 1 26 14.323 -7.159 3.126 1.00 0.00 H new ATOM 0 HG12 VAL 1 26 14.690 -5.418 3.097 1.00 0.00 H new ATOM 0 HG13 VAL 1 26 14.810 -6.327 4.622 1.00 0.00 H new ATOM 0 HG21 VAL 1 26 12.234 -7.988 4.155 1.00 0.00 H new ATOM 0 HG22 VAL 1 26 12.604 -7.201 5.707 1.00 0.00 H new ATOM 0 HG23 VAL 1 26 11.069 -6.854 4.878 1.00 0.00 H new ATOM 378 N THR 1 27 12.027 -4.694 7.101 1.00 0.00 N ATOM 379 CA THR 1 27 12.240 -4.823 8.534 1.00 0.00 C ATOM 380 C THR 1 27 10.908 -5.034 9.254 1.00 0.00 C ATOM 381 O THR 1 27 9.860 -4.609 8.768 1.00 0.00 O ATOM 382 CB THR 1 27 12.999 -3.582 9.011 1.00 0.00 C ATOM 383 OG1 THR 1 27 14.229 -4.098 9.509 1.00 0.00 O ATOM 384 CG2 THR 1 27 12.347 -2.930 10.232 1.00 0.00 C ATOM 0 H THR 1 27 11.055 -4.554 6.825 1.00 0.00 H new ATOM 0 HA THR 1 27 12.842 -5.701 8.768 1.00 0.00 H new ATOM 0 HB THR 1 27 13.055 -2.857 8.199 1.00 0.00 H new ATOM 0 HG1 THR 1 27 14.698 -4.574 8.792 1.00 0.00 H new ATOM 0 HG21 THR 1 27 12.925 -2.055 10.529 1.00 0.00 H new ATOM 0 HG22 THR 1 27 11.330 -2.626 9.983 1.00 0.00 H new ATOM 0 HG23 THR 1 27 12.321 -3.644 11.055 1.00 0.00 H new ATOM 392 N PRO 1 28 10.992 -5.710 10.432 1.00 0.00 N ATOM 393 CA PRO 1 28 9.805 -5.983 11.223 1.00 0.00 C ATOM 394 C PRO 1 28 9.322 -4.722 11.943 1.00 0.00 C ATOM 395 O PRO 1 28 9.114 -4.735 13.154 1.00 0.00 O ATOM 396 CB PRO 1 28 10.218 -7.091 12.180 1.00 0.00 C ATOM 397 CG PRO 1 28 11.737 -7.074 12.207 1.00 0.00 C ATOM 398 CD PRO 1 28 12.215 -6.228 11.037 1.00 0.00 C ATOM 0 HA PRO 1 28 8.956 -6.294 10.614 1.00 0.00 H new ATOM 0 HB2 PRO 1 28 9.808 -6.920 13.175 1.00 0.00 H new ATOM 0 HB3 PRO 1 28 9.844 -8.058 11.843 1.00 0.00 H new ATOM 0 HG2 PRO 1 28 12.097 -6.661 13.149 1.00 0.00 H new ATOM 0 HG3 PRO 1 28 12.131 -8.087 12.132 1.00 0.00 H new ATOM 0 HD2 PRO 1 28 12.865 -5.419 11.372 1.00 0.00 H new ATOM 0 HD3 PRO 1 28 12.788 -6.823 10.326 1.00 0.00 H new ATOM 406 N LYS 1 29 9.160 -3.662 11.164 1.00 0.00 N ATOM 407 CA LYS 1 29 8.706 -2.395 11.711 1.00 0.00 C ATOM 408 C LYS 1 29 8.679 -1.345 10.599 1.00 0.00 C ATOM 409 O LYS 1 29 7.992 -0.330 10.714 1.00 0.00 O ATOM 410 CB LYS 1 29 9.562 -1.993 12.914 1.00 0.00 C ATOM 411 CG LYS 1 29 8.715 -1.296 13.981 1.00 0.00 C ATOM 412 CD LYS 1 29 8.693 -2.106 15.280 1.00 0.00 C ATOM 413 CE LYS 1 29 7.663 -1.542 16.261 1.00 0.00 C ATOM 414 NZ LYS 1 29 8.219 -1.506 17.631 1.00 0.00 N ATOM 0 H LYS 1 29 9.335 -3.655 10.159 1.00 0.00 H new ATOM 0 HA LYS 1 29 7.688 -2.487 12.089 1.00 0.00 H new ATOM 0 HB2 LYS 1 29 10.035 -2.878 13.340 1.00 0.00 H new ATOM 0 HB3 LYS 1 29 10.363 -1.329 12.589 1.00 0.00 H new ATOM 0 HG2 LYS 1 29 9.115 -0.301 14.175 1.00 0.00 H new ATOM 0 HG3 LYS 1 29 7.697 -1.164 13.613 1.00 0.00 H new ATOM 0 HD2 LYS 1 29 8.458 -3.147 15.059 1.00 0.00 H new ATOM 0 HD3 LYS 1 29 9.682 -2.092 15.738 1.00 0.00 H new ATOM 0 HE2 LYS 1 29 7.371 -0.538 15.954 1.00 0.00 H new ATOM 0 HE3 LYS 1 29 6.762 -2.155 16.244 1.00 0.00 H new ATOM 0 HZ1 LYS 1 29 7.507 -1.121 18.284 1.00 0.00 H new ATOM 0 HZ2 LYS 1 29 8.475 -2.469 17.927 1.00 0.00 H new ATOM 0 HZ3 LYS 1 29 9.066 -0.902 17.646 1.00 0.00 H new ATOM 428 N GLU 1 30 9.434 -1.624 9.546 1.00 0.00 N ATOM 429 CA GLU 1 30 9.504 -0.716 8.414 1.00 0.00 C ATOM 430 C GLU 1 30 8.533 -1.158 7.318 1.00 0.00 C ATOM 431 O GLU 1 30 7.819 -0.335 6.747 1.00 0.00 O ATOM 432 CB GLU 1 30 10.934 -0.622 7.875 1.00 0.00 C ATOM 433 CG GLU 1 30 11.592 0.694 8.294 1.00 0.00 C ATOM 434 CD GLU 1 30 12.974 0.446 8.903 1.00 0.00 C ATOM 435 OE1 GLU 1 30 13.874 0.056 8.129 1.00 0.00 O ATOM 436 OE2 GLU 1 30 13.099 0.652 10.129 1.00 0.00 O ATOM 0 H GLU 1 30 10.002 -2.466 9.453 1.00 0.00 H new ATOM 0 HA GLU 1 30 9.211 0.278 8.752 1.00 0.00 H new ATOM 0 HB2 GLU 1 30 11.522 -1.461 8.246 1.00 0.00 H new ATOM 0 HB3 GLU 1 30 10.922 -0.697 6.788 1.00 0.00 H new ATOM 0 HG2 GLU 1 30 11.684 1.350 7.429 1.00 0.00 H new ATOM 0 HG3 GLU 1 30 10.959 1.207 9.017 1.00 0.00 H new ATOM 443 N CYS 1 31 8.537 -2.457 7.057 1.00 0.00 N ATOM 444 CA CYS 1 31 7.665 -3.018 6.039 1.00 0.00 C ATOM 445 C CYS 1 31 6.223 -2.632 6.375 1.00 0.00 C ATOM 446 O CYS 1 31 5.501 -2.114 5.524 1.00 0.00 O ATOM 447 CB CYS 1 31 7.836 -4.534 5.919 1.00 0.00 C ATOM 448 SG CYS 1 31 9.362 -5.068 5.062 1.00 0.00 S ATOM 0 H CYS 1 31 9.130 -3.137 7.533 1.00 0.00 H new ATOM 0 HA CYS 1 31 7.932 -2.610 5.064 1.00 0.00 H new ATOM 0 HB2 CYS 1 31 7.827 -4.967 6.919 1.00 0.00 H new ATOM 0 HB3 CYS 1 31 6.976 -4.942 5.388 1.00 0.00 H new ATOM 453 N ASN 1 32 5.848 -2.898 7.618 1.00 0.00 N ATOM 454 CA ASN 1 32 4.505 -2.585 8.076 1.00 0.00 C ATOM 455 C ASN 1 32 4.343 -1.066 8.168 1.00 0.00 C ATOM 456 O ASN 1 32 3.270 -0.571 8.508 1.00 0.00 O ATOM 457 CB ASN 1 32 4.247 -3.172 9.465 1.00 0.00 C ATOM 458 CG ASN 1 32 3.510 -4.509 9.367 1.00 0.00 C ATOM 459 OD1 ASN 1 32 4.161 -5.436 8.670 1.00 0.00 O flip ATOM 460 ND2 ASN 1 32 2.422 -4.687 9.889 1.00 0.00 N flip ATOM 0 H ASN 1 32 6.450 -3.326 8.321 1.00 0.00 H new ATOM 0 HA ASN 1 32 3.798 -3.013 7.366 1.00 0.00 H new ATOM 0 HB2 ASN 1 32 5.194 -3.312 9.986 1.00 0.00 H new ATOM 0 HB3 ASN 1 32 3.658 -2.471 10.056 1.00 0.00 H new ATOM 0 HD21 ASN 1 32 1.977 -3.932 10.411 1.00 0.00 H new ATOM 0 HD22 ASN 1 32 1.957 -5.591 9.804 1.00 0.00 H new ATOM 467 N ASN 1 33 5.427 -0.368 7.858 1.00 0.00 N ATOM 468 CA ASN 1 33 5.418 1.084 7.902 1.00 0.00 C ATOM 469 C ASN 1 33 5.374 1.633 6.474 1.00 0.00 C ATOM 470 O ASN 1 33 4.845 2.717 6.238 1.00 0.00 O ATOM 471 CB ASN 1 33 6.682 1.622 8.576 1.00 0.00 C ATOM 472 CG ASN 1 33 6.473 3.056 9.068 1.00 0.00 C ATOM 473 OD1 ASN 1 33 5.392 3.616 8.988 1.00 0.00 O ATOM 474 ND2 ASN 1 33 7.565 3.617 9.580 1.00 0.00 N ATOM 0 H ASN 1 33 6.316 -0.781 7.576 1.00 0.00 H new ATOM 0 HA ASN 1 33 4.543 1.399 8.471 1.00 0.00 H new ATOM 0 HB2 ASN 1 33 6.952 0.981 9.416 1.00 0.00 H new ATOM 0 HB3 ASN 1 33 7.514 1.593 7.873 1.00 0.00 H new ATOM 0 HD21 ASN 1 33 7.529 4.572 9.936 1.00 0.00 H new ATOM 0 HD22 ASN 1 33 8.439 3.092 9.617 1.00 0.00 H new ATOM 481 N ARG 1 34 5.937 0.858 5.559 1.00 0.00 N ATOM 482 CA ARG 1 34 5.970 1.252 4.161 1.00 0.00 C ATOM 483 C ARG 1 34 4.661 0.862 3.470 1.00 0.00 C ATOM 484 O ARG 1 34 4.281 1.465 2.468 1.00 0.00 O ATOM 485 CB ARG 1 34 7.140 0.593 3.429 1.00 0.00 C ATOM 486 CG ARG 1 34 8.368 0.494 4.337 1.00 0.00 C ATOM 487 CD ARG 1 34 9.617 1.023 3.630 1.00 0.00 C ATOM 488 NE ARG 1 34 10.442 1.806 4.577 1.00 0.00 N ATOM 489 CZ ARG 1 34 10.078 2.989 5.090 1.00 0.00 C ATOM 490 NH1 ARG 1 34 8.903 3.533 4.751 1.00 0.00 N ATOM 491 NH2 ARG 1 34 10.891 3.628 5.943 1.00 0.00 N ATOM 0 H ARG 1 34 6.374 -0.042 5.759 1.00 0.00 H new ATOM 0 HA ARG 1 34 6.098 2.334 4.125 1.00 0.00 H new ATOM 0 HB2 ARG 1 34 6.850 -0.403 3.094 1.00 0.00 H new ATOM 0 HB3 ARG 1 34 7.388 1.170 2.538 1.00 0.00 H new ATOM 0 HG2 ARG 1 34 8.195 1.062 5.251 1.00 0.00 H new ATOM 0 HG3 ARG 1 34 8.524 -0.544 4.631 1.00 0.00 H new ATOM 0 HD2 ARG 1 34 10.198 0.192 3.230 1.00 0.00 H new ATOM 0 HD3 ARG 1 34 9.329 1.647 2.784 1.00 0.00 H new ATOM 0 HE ARG 1 34 11.344 1.421 4.857 1.00 0.00 H new ATOM 0 HH11 ARG 1 34 8.284 3.047 4.102 1.00 0.00 H new ATOM 0 HH12 ARG 1 34 8.626 4.434 5.142 1.00 0.00 H new ATOM 0 HH21 ARG 1 34 11.787 3.214 6.201 1.00 0.00 H new ATOM 0 HH22 ARG 1 34 10.614 4.529 6.334 1.00 0.00 H new ATOM 505 N GLY 1 35 4.009 -0.144 4.033 1.00 0.00 N ATOM 506 CA GLY 1 35 2.751 -0.621 3.484 1.00 0.00 C ATOM 507 C GLY 1 35 2.850 -2.096 3.087 1.00 0.00 C ATOM 508 O GLY 1 35 2.114 -2.560 2.219 1.00 0.00 O ATOM 0 H GLY 1 35 4.328 -0.642 4.864 1.00 0.00 H new ATOM 0 HA2 GLY 1 35 1.957 -0.491 4.219 1.00 0.00 H new ATOM 0 HA3 GLY 1 35 2.480 -0.024 2.613 1.00 0.00 H new ATOM 512 N CYS 1 36 3.766 -2.792 3.745 1.00 0.00 N ATOM 513 CA CYS 1 36 3.972 -4.204 3.472 1.00 0.00 C ATOM 514 C CYS 1 36 3.709 -4.985 4.761 1.00 0.00 C ATOM 515 O CYS 1 36 3.386 -4.398 5.792 1.00 0.00 O ATOM 516 CB CYS 1 36 5.371 -4.476 2.915 1.00 0.00 C ATOM 517 SG CYS 1 36 5.852 -3.420 1.500 1.00 0.00 S ATOM 0 H CYS 1 36 4.374 -2.404 4.466 1.00 0.00 H new ATOM 0 HA CYS 1 36 3.276 -4.533 2.700 1.00 0.00 H new ATOM 0 HB2 CYS 1 36 6.098 -4.340 3.715 1.00 0.00 H new ATOM 0 HB3 CYS 1 36 5.427 -5.520 2.607 1.00 0.00 H new ATOM 522 N CYS 1 37 3.856 -6.298 4.660 1.00 0.00 N ATOM 523 CA CYS 1 37 3.639 -7.165 5.805 1.00 0.00 C ATOM 524 C CYS 1 37 4.895 -8.016 6.008 1.00 0.00 C ATOM 525 O CYS 1 37 5.330 -8.717 5.095 1.00 0.00 O ATOM 526 CB CYS 1 37 2.388 -8.029 5.631 1.00 0.00 C ATOM 527 SG CYS 1 37 1.636 -8.614 7.193 1.00 0.00 S ATOM 0 H CYS 1 37 4.123 -6.782 3.803 1.00 0.00 H new ATOM 0 HA CYS 1 37 3.463 -6.560 6.694 1.00 0.00 H new ATOM 0 HB2 CYS 1 37 1.643 -7.458 5.077 1.00 0.00 H new ATOM 0 HB3 CYS 1 37 2.644 -8.895 5.021 1.00 0.00 H new ATOM 0 HG CYS 1 37 0.585 -9.332 6.927 1.00 0.00 H new ATOM 532 N PHE 1 38 5.443 -7.927 7.211 1.00 0.00 N ATOM 533 CA PHE 1 38 6.639 -8.680 7.547 1.00 0.00 C ATOM 534 C PHE 1 38 6.282 -10.056 8.109 1.00 0.00 C ATOM 535 O PHE 1 38 5.573 -10.156 9.110 1.00 0.00 O ATOM 536 CB PHE 1 38 7.385 -7.881 8.618 1.00 0.00 C ATOM 537 CG PHE 1 38 8.765 -8.441 8.963 1.00 0.00 C ATOM 538 CD1 PHE 1 38 9.847 -8.096 8.213 1.00 0.00 C ATOM 539 CD2 PHE 1 38 8.913 -9.283 10.020 1.00 0.00 C ATOM 540 CE1 PHE 1 38 11.128 -8.616 8.533 1.00 0.00 C ATOM 541 CE2 PHE 1 38 10.195 -9.803 10.341 1.00 0.00 C ATOM 542 CZ PHE 1 38 11.276 -9.459 9.590 1.00 0.00 C ATOM 0 H PHE 1 38 5.080 -7.344 7.966 1.00 0.00 H new ATOM 0 HA PHE 1 38 7.247 -8.830 6.655 1.00 0.00 H new ATOM 0 HB2 PHE 1 38 7.497 -6.852 8.277 1.00 0.00 H new ATOM 0 HB3 PHE 1 38 6.779 -7.853 9.524 1.00 0.00 H new ATOM 0 HD1 PHE 1 38 9.731 -7.426 7.374 1.00 0.00 H new ATOM 0 HD2 PHE 1 38 8.055 -9.557 10.616 1.00 0.00 H new ATOM 0 HE1 PHE 1 38 11.986 -8.342 7.937 1.00 0.00 H new ATOM 0 HE2 PHE 1 38 10.312 -10.471 11.181 1.00 0.00 H new ATOM 0 HZ PHE 1 38 12.251 -9.855 9.833 1.00 0.00 H new ATOM 552 N ASP 1 39 6.789 -11.083 7.443 1.00 0.00 N ATOM 553 CA ASP 1 39 6.531 -12.450 7.865 1.00 0.00 C ATOM 554 C ASP 1 39 7.622 -12.890 8.843 1.00 0.00 C ATOM 555 O ASP 1 39 7.434 -12.829 10.057 1.00 0.00 O ATOM 556 CB ASP 1 39 6.551 -13.408 6.672 1.00 0.00 C ATOM 557 CG ASP 1 39 6.472 -14.892 7.032 1.00 0.00 C ATOM 558 OD1 ASP 1 39 5.392 -15.302 7.510 1.00 0.00 O ATOM 559 OD2 ASP 1 39 7.493 -15.583 6.823 1.00 0.00 O ATOM 0 H ASP 1 39 7.377 -10.996 6.614 1.00 0.00 H new ATOM 0 HA ASP 1 39 5.547 -12.479 8.334 1.00 0.00 H new ATOM 0 HB2 ASP 1 39 5.716 -13.164 6.016 1.00 0.00 H new ATOM 0 HB3 ASP 1 39 7.464 -13.236 6.103 1.00 0.00 H new ATOM 564 N SER 1 40 8.739 -13.326 8.279 1.00 0.00 N ATOM 565 CA SER 1 40 9.859 -13.777 9.086 1.00 0.00 C ATOM 566 C SER 1 40 9.716 -15.269 9.391 1.00 0.00 C ATOM 567 O SER 1 40 10.683 -15.920 9.787 1.00 0.00 O ATOM 568 CB SER 1 40 9.958 -12.977 10.386 1.00 0.00 C ATOM 569 OG SER 1 40 11.311 -12.756 10.775 1.00 0.00 O ATOM 0 H SER 1 40 8.892 -13.376 7.272 1.00 0.00 H new ATOM 0 HA SER 1 40 10.776 -13.614 8.520 1.00 0.00 H new ATOM 0 HB2 SER 1 40 9.456 -12.018 10.261 1.00 0.00 H new ATOM 0 HB3 SER 1 40 9.435 -13.510 11.180 1.00 0.00 H new ATOM 0 HG SER 1 40 11.535 -11.809 10.657 1.00 0.00 H new ATOM 575 N ARG 1 41 8.505 -15.768 9.196 1.00 0.00 N ATOM 576 CA ARG 1 41 8.224 -17.172 9.445 1.00 0.00 C ATOM 577 C ARG 1 41 9.128 -18.056 8.584 1.00 0.00 C ATOM 578 O ARG 1 41 9.755 -18.985 9.089 1.00 0.00 O ATOM 579 CB ARG 1 41 6.761 -17.503 9.143 1.00 0.00 C ATOM 580 CG ARG 1 41 5.823 -16.783 10.114 1.00 0.00 C ATOM 581 CD ARG 1 41 4.770 -17.742 10.672 1.00 0.00 C ATOM 582 NE ARG 1 41 5.375 -18.613 11.704 1.00 0.00 N ATOM 583 CZ ARG 1 41 5.504 -18.271 12.993 1.00 0.00 C ATOM 584 NH1 ARG 1 41 5.073 -17.075 13.416 1.00 0.00 N ATOM 585 NH2 ARG 1 41 6.066 -19.126 13.859 1.00 0.00 N ATOM 0 H ARG 1 41 7.706 -15.225 8.868 1.00 0.00 H new ATOM 0 HA ARG 1 41 8.419 -17.367 10.500 1.00 0.00 H new ATOM 0 HB2 ARG 1 41 6.523 -17.213 8.120 1.00 0.00 H new ATOM 0 HB3 ARG 1 41 6.606 -18.580 9.213 1.00 0.00 H new ATOM 0 HG2 ARG 1 41 6.401 -16.355 10.933 1.00 0.00 H new ATOM 0 HG3 ARG 1 41 5.332 -15.955 9.604 1.00 0.00 H new ATOM 0 HD2 ARG 1 41 3.942 -17.177 11.101 1.00 0.00 H new ATOM 0 HD3 ARG 1 41 4.357 -18.350 9.867 1.00 0.00 H new ATOM 0 HE ARG 1 41 5.715 -19.531 11.416 1.00 0.00 H new ATOM 0 HH11 ARG 1 41 4.646 -16.424 12.757 1.00 0.00 H new ATOM 0 HH12 ARG 1 41 5.172 -16.815 14.397 1.00 0.00 H new ATOM 0 HH21 ARG 1 41 6.395 -20.036 13.536 1.00 0.00 H new ATOM 0 HH22 ARG 1 41 6.165 -18.867 14.841 1.00 0.00 H new ATOM 599 N ILE 1 42 9.169 -17.732 7.300 1.00 0.00 N ATOM 600 CA ILE 1 42 9.986 -18.485 6.364 1.00 0.00 C ATOM 601 C ILE 1 42 11.020 -17.552 5.732 1.00 0.00 C ATOM 602 O ILE 1 42 10.665 -16.528 5.151 1.00 0.00 O ATOM 603 CB ILE 1 42 9.105 -19.208 5.344 1.00 0.00 C ATOM 604 CG1 ILE 1 42 7.668 -19.337 5.854 1.00 0.00 C ATOM 605 CG2 ILE 1 42 9.702 -20.564 4.965 1.00 0.00 C ATOM 606 CD1 ILE 1 42 6.804 -20.121 4.864 1.00 0.00 C ATOM 0 H ILE 1 42 8.650 -16.958 6.886 1.00 0.00 H new ATOM 0 HA ILE 1 42 10.538 -19.268 6.884 1.00 0.00 H new ATOM 0 HB ILE 1 42 9.072 -18.606 4.436 1.00 0.00 H new ATOM 0 HG12 ILE 1 42 7.665 -19.839 6.822 1.00 0.00 H new ATOM 0 HG13 ILE 1 42 7.242 -18.345 6.008 1.00 0.00 H new ATOM 0 HG21 ILE 1 42 9.055 -21.056 4.239 1.00 0.00 H new ATOM 0 HG22 ILE 1 42 10.691 -20.417 4.530 1.00 0.00 H new ATOM 0 HG23 ILE 1 42 9.786 -21.186 5.856 1.00 0.00 H new ATOM 0 HD11 ILE 1 42 5.788 -20.198 5.250 1.00 0.00 H new ATOM 0 HD12 ILE 1 42 6.789 -19.604 3.905 1.00 0.00 H new ATOM 0 HD13 ILE 1 42 7.219 -21.120 4.731 1.00 0.00 H new ATOM 618 N PRO 1 43 12.313 -17.950 5.870 1.00 0.00 N ATOM 619 CA PRO 1 43 13.402 -17.160 5.319 1.00 0.00 C ATOM 620 C PRO 1 43 13.479 -17.319 3.799 1.00 0.00 C ATOM 621 O PRO 1 43 14.160 -16.546 3.125 1.00 0.00 O ATOM 622 CB PRO 1 43 14.649 -17.658 6.032 1.00 0.00 C ATOM 623 CG PRO 1 43 14.285 -19.016 6.611 1.00 0.00 C ATOM 624 CD PRO 1 43 12.772 -19.157 6.552 1.00 0.00 C ATOM 0 HA PRO 1 43 13.269 -16.090 5.479 1.00 0.00 H new ATOM 0 HB2 PRO 1 43 15.487 -17.741 5.340 1.00 0.00 H new ATOM 0 HB3 PRO 1 43 14.951 -16.967 6.819 1.00 0.00 H new ATOM 0 HG2 PRO 1 43 14.765 -19.814 6.044 1.00 0.00 H new ATOM 0 HG3 PRO 1 43 14.636 -19.099 7.639 1.00 0.00 H new ATOM 0 HD2 PRO 1 43 12.479 -20.055 6.008 1.00 0.00 H new ATOM 0 HD3 PRO 1 43 12.342 -19.235 7.551 1.00 0.00 H new ATOM 632 N GLY 1 44 12.773 -18.324 3.305 1.00 0.00 N ATOM 633 CA GLY 1 44 12.754 -18.593 1.876 1.00 0.00 C ATOM 634 C GLY 1 44 11.620 -17.829 1.191 1.00 0.00 C ATOM 635 O GLY 1 44 11.554 -17.779 -0.037 1.00 0.00 O ATOM 0 H GLY 1 44 12.210 -18.962 3.867 1.00 0.00 H new ATOM 0 HA2 GLY 1 44 13.709 -18.306 1.435 1.00 0.00 H new ATOM 0 HA3 GLY 1 44 12.632 -19.663 1.705 1.00 0.00 H new ATOM 639 N VAL 1 45 10.756 -17.251 2.013 1.00 0.00 N ATOM 640 CA VAL 1 45 9.629 -16.491 1.500 1.00 0.00 C ATOM 641 C VAL 1 45 9.881 -14.999 1.723 1.00 0.00 C ATOM 642 O VAL 1 45 10.824 -14.622 2.418 1.00 0.00 O ATOM 643 CB VAL 1 45 8.330 -16.981 2.146 1.00 0.00 C ATOM 644 CG1 VAL 1 45 7.787 -15.948 3.135 1.00 0.00 C ATOM 645 CG2 VAL 1 45 7.286 -17.326 1.084 1.00 0.00 C ATOM 0 H VAL 1 45 10.814 -17.294 3.030 1.00 0.00 H new ATOM 0 HA VAL 1 45 9.522 -16.645 0.426 1.00 0.00 H new ATOM 0 HB VAL 1 45 8.554 -17.891 2.702 1.00 0.00 H new ATOM 0 HG11 VAL 1 45 6.864 -16.320 3.580 1.00 0.00 H new ATOM 0 HG12 VAL 1 45 8.523 -15.773 3.919 1.00 0.00 H new ATOM 0 HG13 VAL 1 45 7.586 -15.013 2.611 1.00 0.00 H new ATOM 0 HG21 VAL 1 45 6.373 -17.671 1.570 1.00 0.00 H new ATOM 0 HG22 VAL 1 45 7.067 -16.440 0.488 1.00 0.00 H new ATOM 0 HG23 VAL 1 45 7.672 -18.113 0.436 1.00 0.00 H new ATOM 655 N PRO 1 46 9.000 -14.168 1.104 1.00 0.00 N ATOM 656 CA PRO 1 46 9.118 -12.726 1.228 1.00 0.00 C ATOM 657 C PRO 1 46 8.650 -12.253 2.606 1.00 0.00 C ATOM 658 O PRO 1 46 7.467 -12.346 2.929 1.00 0.00 O ATOM 659 CB PRO 1 46 8.280 -12.163 0.091 1.00 0.00 C ATOM 660 CG PRO 1 46 7.354 -13.288 -0.341 1.00 0.00 C ATOM 661 CD PRO 1 46 7.871 -14.579 0.274 1.00 0.00 C ATOM 0 HA PRO 1 46 10.149 -12.381 1.154 1.00 0.00 H new ATOM 0 HB2 PRO 1 46 7.711 -11.293 0.419 1.00 0.00 H new ATOM 0 HB3 PRO 1 46 8.912 -11.838 -0.736 1.00 0.00 H new ATOM 0 HG2 PRO 1 46 6.334 -13.090 -0.012 1.00 0.00 H new ATOM 0 HG3 PRO 1 46 7.329 -13.366 -1.428 1.00 0.00 H new ATOM 0 HD2 PRO 1 46 7.101 -15.071 0.868 1.00 0.00 H new ATOM 0 HD3 PRO 1 46 8.181 -15.287 -0.494 1.00 0.00 H new ATOM 669 N TRP 1 47 9.603 -11.756 3.381 1.00 0.00 N ATOM 670 CA TRP 1 47 9.302 -11.269 4.717 1.00 0.00 C ATOM 671 C TRP 1 47 8.866 -9.807 4.600 1.00 0.00 C ATOM 672 O TRP 1 47 9.071 -9.019 5.522 1.00 0.00 O ATOM 673 CB TRP 1 47 10.497 -11.464 5.652 1.00 0.00 C ATOM 674 CG TRP 1 47 11.648 -12.261 5.035 1.00 0.00 C ATOM 675 CD1 TRP 1 47 11.746 -13.591 4.891 1.00 0.00 C ATOM 676 CD2 TRP 1 47 12.867 -11.724 4.482 1.00 0.00 C ATOM 677 NE1 TRP 1 47 12.935 -13.946 4.287 1.00 0.00 N ATOM 678 CE2 TRP 1 47 13.638 -12.776 4.031 1.00 0.00 C ATOM 679 CE3 TRP 1 47 13.304 -10.393 4.367 1.00 0.00 C ATOM 680 CZ2 TRP 1 47 14.893 -12.605 3.434 1.00 0.00 C ATOM 681 CZ3 TRP 1 47 14.560 -10.239 3.767 1.00 0.00 C ATOM 682 CH2 TRP 1 47 15.349 -11.287 3.308 1.00 0.00 C ATOM 0 H TRP 1 47 10.583 -11.680 3.110 1.00 0.00 H new ATOM 0 HA TRP 1 47 8.487 -11.840 5.162 1.00 0.00 H new ATOM 0 HB2 TRP 1 47 10.869 -10.486 5.958 1.00 0.00 H new ATOM 0 HB3 TRP 1 47 10.159 -11.973 6.555 1.00 0.00 H new ATOM 0 HD1 TRP 1 47 10.990 -14.295 5.208 1.00 0.00 H new ATOM 0 HE1 TRP 1 47 13.241 -14.894 4.069 1.00 0.00 H new ATOM 0 HE3 TRP 1 47 12.717 -9.555 4.714 1.00 0.00 H new ATOM 0 HZ2 TRP 1 47 15.478 -13.445 3.089 1.00 0.00 H new ATOM 0 HZ3 TRP 1 47 14.942 -9.235 3.653 1.00 0.00 H new ATOM 0 HH2 TRP 1 47 16.309 -11.086 2.856 1.00 0.00 H new ATOM 693 N CYS 1 48 8.274 -9.489 3.459 1.00 0.00 N ATOM 694 CA CYS 1 48 7.807 -8.136 3.210 1.00 0.00 C ATOM 695 C CYS 1 48 6.963 -8.146 1.933 1.00 0.00 C ATOM 696 O CYS 1 48 7.501 -8.196 0.828 1.00 0.00 O ATOM 697 CB CYS 1 48 8.970 -7.145 3.116 1.00 0.00 C ATOM 698 SG CYS 1 48 8.484 -5.382 3.198 1.00 0.00 S ATOM 0 H CYS 1 48 8.107 -10.145 2.696 1.00 0.00 H new ATOM 0 HA CYS 1 48 7.195 -7.800 4.047 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 9.672 -7.352 3.924 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 9.502 -7.318 2.180 1.00 0.00 H new ATOM 703 N PHE 1 49 5.654 -8.097 2.128 1.00 0.00 N ATOM 704 CA PHE 1 49 4.729 -8.100 1.008 1.00 0.00 C ATOM 705 C PHE 1 49 3.530 -7.189 1.283 1.00 0.00 C ATOM 706 O PHE 1 49 3.515 -6.460 2.273 1.00 0.00 O ATOM 707 CB PHE 1 49 4.235 -9.538 0.840 1.00 0.00 C ATOM 708 CG PHE 1 49 4.172 -10.331 2.146 1.00 0.00 C ATOM 709 CD1 PHE 1 49 5.318 -10.657 2.800 1.00 0.00 C ATOM 710 CD2 PHE 1 49 2.968 -10.710 2.654 1.00 0.00 C ATOM 711 CE1 PHE 1 49 5.260 -11.393 4.013 1.00 0.00 C ATOM 712 CE2 PHE 1 49 2.910 -11.446 3.867 1.00 0.00 C ATOM 713 CZ PHE 1 49 4.057 -11.773 4.521 1.00 0.00 C ATOM 0 H PHE 1 49 5.211 -8.055 3.046 1.00 0.00 H new ATOM 0 HA PHE 1 49 5.230 -7.734 0.111 1.00 0.00 H new ATOM 0 HB2 PHE 1 49 3.243 -9.520 0.390 1.00 0.00 H new ATOM 0 HB3 PHE 1 49 4.892 -10.058 0.143 1.00 0.00 H new ATOM 0 HD1 PHE 1 49 6.274 -10.356 2.397 1.00 0.00 H new ATOM 0 HD2 PHE 1 49 2.057 -10.451 2.135 1.00 0.00 H new ATOM 0 HE1 PHE 1 49 6.171 -11.651 4.532 1.00 0.00 H new ATOM 0 HE2 PHE 1 49 1.954 -11.746 4.271 1.00 0.00 H new ATOM 0 HZ PHE 1 49 4.012 -12.334 5.443 1.00 0.00 H new ATOM 723 N LYS 1 50 2.555 -7.263 0.389 1.00 0.00 N ATOM 724 CA LYS 1 50 1.355 -6.454 0.523 1.00 0.00 C ATOM 725 C LYS 1 50 0.132 -7.372 0.590 1.00 0.00 C ATOM 726 O LYS 1 50 -0.659 -7.426 -0.350 1.00 0.00 O ATOM 727 CB LYS 1 50 1.283 -5.413 -0.595 1.00 0.00 C ATOM 728 CG LYS 1 50 2.249 -5.759 -1.731 1.00 0.00 C ATOM 729 CD LYS 1 50 3.615 -5.108 -1.505 1.00 0.00 C ATOM 730 CE LYS 1 50 3.467 -3.616 -1.201 1.00 0.00 C ATOM 731 NZ LYS 1 50 2.376 -3.028 -2.010 1.00 0.00 N ATOM 0 H LYS 1 50 2.571 -7.870 -0.430 1.00 0.00 H new ATOM 0 HA LYS 1 50 1.379 -5.886 1.453 1.00 0.00 H new ATOM 0 HB2 LYS 1 50 0.265 -5.360 -0.982 1.00 0.00 H new ATOM 0 HB3 LYS 1 50 1.524 -4.428 -0.195 1.00 0.00 H new ATOM 0 HG2 LYS 1 50 2.364 -6.841 -1.799 1.00 0.00 H new ATOM 0 HG3 LYS 1 50 1.834 -5.423 -2.681 1.00 0.00 H new ATOM 0 HD2 LYS 1 50 4.125 -5.602 -0.678 1.00 0.00 H new ATOM 0 HD3 LYS 1 50 4.237 -5.243 -2.390 1.00 0.00 H new ATOM 0 HE2 LYS 1 50 3.259 -3.474 -0.141 1.00 0.00 H new ATOM 0 HE3 LYS 1 50 4.404 -3.101 -1.414 1.00 0.00 H new ATOM 0 HZ1 LYS 1 50 2.626 -2.054 -2.274 1.00 0.00 H new ATOM 0 HZ2 LYS 1 50 2.238 -3.595 -2.871 1.00 0.00 H new ATOM 0 HZ3 LYS 1 50 1.497 -3.022 -1.455 1.00 0.00 H new ATOM 745 N PRO 1 51 0.014 -8.088 1.740 1.00 0.00 N ATOM 746 CA PRO 1 51 -1.099 -9.000 1.942 1.00 0.00 C ATOM 747 C PRO 1 51 -2.388 -8.234 2.245 1.00 0.00 C ATOM 748 O PRO 1 51 -3.059 -7.754 1.331 1.00 0.00 O ATOM 749 CB PRO 1 51 -0.665 -9.905 3.083 1.00 0.00 C ATOM 750 CG PRO 1 51 0.471 -9.176 3.784 1.00 0.00 C ATOM 751 CD PRO 1 51 0.932 -8.049 2.874 1.00 0.00 C ATOM 0 HA PRO 1 51 -1.329 -9.586 1.052 1.00 0.00 H new ATOM 0 HB2 PRO 1 51 -1.491 -10.092 3.769 1.00 0.00 H new ATOM 0 HB3 PRO 1 51 -0.335 -10.874 2.709 1.00 0.00 H new ATOM 0 HG2 PRO 1 51 0.137 -8.780 4.743 1.00 0.00 H new ATOM 0 HG3 PRO 1 51 1.294 -9.860 3.991 1.00 0.00 H new ATOM 0 HD2 PRO 1 51 0.891 -7.086 3.384 1.00 0.00 H new ATOM 0 HD3 PRO 1 51 1.963 -8.196 2.554 1.00 0.00 H new ATOM 759 N LEU 1 52 -2.697 -8.142 3.530 1.00 0.00 N ATOM 760 CA LEU 1 52 -3.894 -7.442 3.965 1.00 0.00 C ATOM 761 C LEU 1 52 -3.539 -5.991 4.294 1.00 0.00 C ATOM 762 O LEU 1 52 -4.118 -5.398 5.204 1.00 0.00 O ATOM 763 CB LEU 1 52 -4.562 -8.191 5.120 1.00 0.00 C ATOM 764 CG LEU 1 52 -4.026 -7.879 6.519 1.00 0.00 C ATOM 765 CD1 LEU 1 52 -5.085 -7.169 7.366 1.00 0.00 C ATOM 766 CD2 LEU 1 52 -3.503 -9.145 7.200 1.00 0.00 C ATOM 0 H LEU 1 52 -2.139 -8.541 4.285 1.00 0.00 H new ATOM 0 HA LEU 1 52 -4.633 -7.415 3.164 1.00 0.00 H new ATOM 0 HB2 LEU 1 52 -5.629 -7.968 5.103 1.00 0.00 H new ATOM 0 HB3 LEU 1 52 -4.457 -9.261 4.942 1.00 0.00 H new ATOM 0 HG LEU 1 52 -3.183 -7.196 6.417 1.00 0.00 H new ATOM 0 HD11 LEU 1 52 -4.679 -6.959 8.355 1.00 0.00 H new ATOM 0 HD12 LEU 1 52 -5.369 -6.234 6.884 1.00 0.00 H new ATOM 0 HD13 LEU 1 52 -5.962 -7.809 7.463 1.00 0.00 H new ATOM 0 HD21 LEU 1 52 -3.128 -8.896 8.193 1.00 0.00 H new ATOM 0 HD22 LEU 1 52 -4.311 -9.871 7.289 1.00 0.00 H new ATOM 0 HD23 LEU 1 52 -2.696 -9.572 6.604 1.00 0.00 H new ATOM 778 N GLN 1 53 -2.590 -5.461 3.538 1.00 0.00 N ATOM 779 CA GLN 1 53 -2.152 -4.090 3.739 1.00 0.00 C ATOM 780 C GLN 1 53 -3.345 -3.135 3.666 1.00 0.00 C ATOM 781 O GLN 1 53 -3.296 -2.033 4.211 1.00 0.00 O ATOM 782 CB GLN 1 53 -1.077 -3.703 2.721 1.00 0.00 C ATOM 783 CG GLN 1 53 0.151 -4.607 2.849 1.00 0.00 C ATOM 784 CD GLN 1 53 0.726 -4.552 4.266 1.00 0.00 C ATOM 785 OE1 GLN 1 53 1.465 -3.652 4.629 1.00 0.00 O ATOM 786 NE2 GLN 1 53 0.347 -5.562 5.044 1.00 0.00 N ATOM 0 H GLN 1 53 -2.112 -5.956 2.785 1.00 0.00 H new ATOM 0 HA GLN 1 53 -1.710 -4.013 4.732 1.00 0.00 H new ATOM 0 HB2 GLN 1 53 -1.483 -3.776 1.712 1.00 0.00 H new ATOM 0 HB3 GLN 1 53 -0.785 -2.664 2.872 1.00 0.00 H new ATOM 0 HG2 GLN 1 53 -0.121 -5.633 2.603 1.00 0.00 H new ATOM 0 HG3 GLN 1 53 0.911 -4.298 2.132 1.00 0.00 H new ATOM 0 HE21 GLN 1 53 -0.274 -6.283 4.677 1.00 0.00 H new ATOM 0 HE22 GLN 1 53 0.677 -5.615 6.008 1.00 0.00 H new ATOM 795 N GLU 1 54 -4.388 -3.592 2.989 1.00 0.00 N ATOM 796 CA GLU 1 54 -5.591 -2.792 2.838 1.00 0.00 C ATOM 797 C GLU 1 54 -5.917 -2.073 4.148 1.00 0.00 C ATOM 798 O GLU 1 54 -6.546 -1.016 4.140 1.00 0.00 O ATOM 799 CB GLU 1 54 -6.768 -3.654 2.377 1.00 0.00 C ATOM 800 CG GLU 1 54 -7.668 -4.028 3.556 1.00 0.00 C ATOM 801 CD GLU 1 54 -8.593 -2.867 3.930 1.00 0.00 C ATOM 802 OE1 GLU 1 54 -9.175 -2.282 2.992 1.00 0.00 O ATOM 803 OE2 GLU 1 54 -8.696 -2.593 5.145 1.00 0.00 O ATOM 0 H GLU 1 54 -4.425 -4.507 2.539 1.00 0.00 H new ATOM 0 HA GLU 1 54 -5.411 -2.041 2.069 1.00 0.00 H new ATOM 0 HB2 GLU 1 54 -7.348 -3.114 1.629 1.00 0.00 H new ATOM 0 HB3 GLU 1 54 -6.395 -4.559 1.898 1.00 0.00 H new ATOM 0 HG2 GLU 1 54 -8.264 -4.904 3.300 1.00 0.00 H new ATOM 0 HG3 GLU 1 54 -7.054 -4.300 4.415 1.00 0.00 H new ATOM 810 N ALA 1 55 -5.477 -2.675 5.242 1.00 0.00 N ATOM 811 CA ALA 1 55 -5.714 -2.106 6.558 1.00 0.00 C ATOM 812 C ALA 1 55 -5.587 -0.583 6.480 1.00 0.00 C ATOM 813 O ALA 1 55 -6.583 0.133 6.578 1.00 0.00 O ATOM 814 CB ALA 1 55 -4.741 -2.721 7.565 1.00 0.00 C ATOM 0 H ALA 1 55 -4.957 -3.552 5.245 1.00 0.00 H new ATOM 0 HA ALA 1 55 -6.723 -2.337 6.899 1.00 0.00 H new ATOM 0 HB1 ALA 1 55 -4.920 -2.293 8.552 1.00 0.00 H new ATOM 0 HB2 ALA 1 55 -4.892 -3.800 7.604 1.00 0.00 H new ATOM 0 HB3 ALA 1 55 -3.717 -2.509 7.258 1.00 0.00 H new ATOM 820 N GLU 1 56 -4.354 -0.132 6.305 1.00 0.00 N ATOM 821 CA GLU 1 56 -4.084 1.293 6.213 1.00 0.00 C ATOM 822 C GLU 1 56 -3.216 1.591 4.989 1.00 0.00 C ATOM 823 O GLU 1 56 -2.471 2.570 4.974 1.00 0.00 O ATOM 824 CB GLU 1 56 -3.423 1.810 7.493 1.00 0.00 C ATOM 825 CG GLU 1 56 -2.058 1.153 7.708 1.00 0.00 C ATOM 826 CD GLU 1 56 -2.060 0.285 8.968 1.00 0.00 C ATOM 827 OE1 GLU 1 56 -2.488 -0.884 8.852 1.00 0.00 O ATOM 828 OE2 GLU 1 56 -1.634 0.810 10.020 1.00 0.00 O ATOM 0 H GLU 1 56 -3.530 -0.728 6.224 1.00 0.00 H new ATOM 0 HA GLU 1 56 -5.033 1.816 6.097 1.00 0.00 H new ATOM 0 HB2 GLU 1 56 -3.305 2.892 7.434 1.00 0.00 H new ATOM 0 HB3 GLU 1 56 -4.068 1.606 8.348 1.00 0.00 H new ATOM 0 HG2 GLU 1 56 -1.804 0.542 6.842 1.00 0.00 H new ATOM 0 HG3 GLU 1 56 -1.290 1.922 7.793 1.00 0.00 H new ATOM 835 N CYS 1 57 -3.341 0.728 3.990 1.00 0.00 N ATOM 836 CA CYS 1 57 -2.577 0.886 2.765 1.00 0.00 C ATOM 837 C CYS 1 57 -3.524 1.379 1.669 1.00 0.00 C ATOM 838 O CYS 1 57 -3.299 2.434 1.079 1.00 0.00 O ATOM 839 CB CYS 1 57 -1.869 -0.412 2.367 1.00 0.00 C ATOM 840 SG CYS 1 57 -0.376 -0.186 1.334 1.00 0.00 S ATOM 0 H CYS 1 57 -3.960 -0.082 4.005 1.00 0.00 H new ATOM 0 HA CYS 1 57 -1.787 1.621 2.919 1.00 0.00 H new ATOM 0 HB2 CYS 1 57 -1.589 -0.949 3.273 1.00 0.00 H new ATOM 0 HB3 CYS 1 57 -2.575 -1.044 1.827 1.00 0.00 H new ATOM 845 N THR 1 58 -4.562 0.591 1.430 1.00 0.00 N ATOM 846 CA THR 1 58 -5.544 0.935 0.415 1.00 0.00 C ATOM 847 C THR 1 58 -6.404 2.111 0.881 1.00 0.00 C ATOM 848 O THR 1 58 -6.585 3.081 0.147 1.00 0.00 O ATOM 849 CB THR 1 58 -6.355 -0.323 0.099 1.00 0.00 C ATOM 850 OG1 THR 1 58 -6.705 -0.173 -1.274 1.00 0.00 O ATOM 851 CG2 THR 1 58 -7.701 -0.351 0.825 1.00 0.00 C ATOM 0 H THR 1 58 -4.745 -0.284 1.921 1.00 0.00 H new ATOM 0 HA THR 1 58 -5.063 1.270 -0.504 1.00 0.00 H new ATOM 0 HB THR 1 58 -5.777 -1.206 0.373 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -7.667 -0.005 -1.350 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -8.236 -1.265 0.565 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -7.534 -0.322 1.902 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -8.294 0.513 0.526 1.00 0.00 H new ATOM 859 N PHE 1 59 -6.909 1.987 2.100 1.00 0.00 N ATOM 860 CA PHE 1 59 -7.745 3.028 2.673 1.00 0.00 C ATOM 861 C PHE 1 59 -7.298 4.412 2.200 1.00 0.00 C ATOM 862 O PHE 1 59 -8.127 5.293 1.973 1.00 0.00 O ATOM 863 CB PHE 1 59 -7.584 2.945 4.192 1.00 0.00 C ATOM 864 CG PHE 1 59 -6.555 3.921 4.764 1.00 0.00 C ATOM 865 CD1 PHE 1 59 -5.241 3.794 4.436 1.00 0.00 C ATOM 866 CD2 PHE 1 59 -6.954 4.918 5.598 1.00 0.00 C ATOM 867 CE1 PHE 1 59 -4.286 4.701 4.966 1.00 0.00 C ATOM 868 CE2 PHE 1 59 -5.998 5.825 6.129 1.00 0.00 C ATOM 869 CZ PHE 1 59 -4.684 5.697 5.802 1.00 0.00 C ATOM 0 H PHE 1 59 -6.755 1.181 2.706 1.00 0.00 H new ATOM 0 HA PHE 1 59 -8.781 2.885 2.365 1.00 0.00 H new ATOM 0 HB2 PHE 1 59 -8.550 3.136 4.660 1.00 0.00 H new ATOM 0 HB3 PHE 1 59 -7.295 1.929 4.461 1.00 0.00 H new ATOM 0 HD1 PHE 1 59 -4.924 3.003 3.772 1.00 0.00 H new ATOM 0 HD2 PHE 1 59 -7.998 5.020 5.857 1.00 0.00 H new ATOM 0 HE1 PHE 1 59 -3.243 4.600 4.705 1.00 0.00 H new ATOM 0 HE2 PHE 1 59 -6.315 6.616 6.792 1.00 0.00 H new ATOM 0 HZ PHE 1 59 -3.957 6.386 6.206 1.00 0.00 H new ATOM 1107 N ASP 2 17 -8.609 15.252 0.037 1.00 0.00 N ATOM 1108 CA ASP 2 17 -9.331 14.151 0.651 1.00 0.00 C ATOM 1109 C ASP 2 17 -8.381 12.965 0.837 1.00 0.00 C ATOM 1110 O ASP 2 17 -8.821 11.850 1.113 1.00 0.00 O ATOM 1111 CB ASP 2 17 -10.492 13.693 -0.232 1.00 0.00 C ATOM 1112 CG ASP 2 17 -11.534 12.819 0.471 1.00 0.00 C ATOM 1113 OD1 ASP 2 17 -12.450 13.410 1.083 1.00 0.00 O ATOM 1114 OD2 ASP 2 17 -11.389 11.581 0.381 1.00 0.00 O ATOM 0 HA ASP 2 17 -9.721 14.496 1.609 1.00 0.00 H new ATOM 0 HB2 ASP 2 17 -10.991 14.574 -0.635 1.00 0.00 H new ATOM 0 HB3 ASP 2 17 -10.088 13.140 -1.080 1.00 0.00 H new ATOM 1119 N ARG 2 18 -7.096 13.247 0.678 1.00 0.00 N ATOM 1120 CA ARG 2 18 -6.081 12.217 0.825 1.00 0.00 C ATOM 1121 C ARG 2 18 -5.605 12.145 2.277 1.00 0.00 C ATOM 1122 O ARG 2 18 -6.087 12.888 3.130 1.00 0.00 O ATOM 1123 CB ARG 2 18 -4.882 12.493 -0.085 1.00 0.00 C ATOM 1124 CG ARG 2 18 -5.334 12.761 -1.521 1.00 0.00 C ATOM 1125 CD ARG 2 18 -4.507 13.882 -2.157 1.00 0.00 C ATOM 1126 NE ARG 2 18 -4.795 13.963 -3.607 1.00 0.00 N ATOM 1127 CZ ARG 2 18 -3.986 14.547 -4.501 1.00 0.00 C ATOM 1128 NH1 ARG 2 18 -2.834 15.103 -4.100 1.00 0.00 N ATOM 1129 NH2 ARG 2 18 -4.328 14.573 -5.797 1.00 0.00 N ATOM 0 H ARG 2 18 -6.735 14.173 0.449 1.00 0.00 H new ATOM 0 HA ARG 2 18 -6.529 11.265 0.539 1.00 0.00 H new ATOM 0 HB2 ARG 2 18 -4.326 13.352 0.291 1.00 0.00 H new ATOM 0 HB3 ARG 2 18 -4.203 11.640 -0.067 1.00 0.00 H new ATOM 0 HG2 ARG 2 18 -5.235 11.851 -2.113 1.00 0.00 H new ATOM 0 HG3 ARG 2 18 -6.389 13.034 -1.529 1.00 0.00 H new ATOM 0 HD2 ARG 2 18 -4.739 14.833 -1.678 1.00 0.00 H new ATOM 0 HD3 ARG 2 18 -3.445 13.696 -1.999 1.00 0.00 H new ATOM 0 HE ARG 2 18 -5.663 13.549 -3.946 1.00 0.00 H new ATOM 0 HH11 ARG 2 18 -2.573 15.081 -3.114 1.00 0.00 H new ATOM 0 HH12 ARG 2 18 -2.218 15.548 -4.781 1.00 0.00 H new ATOM 0 HH21 ARG 2 18 -5.204 14.148 -6.102 1.00 0.00 H new ATOM 0 HH22 ARG 2 18 -3.712 15.018 -6.478 1.00 0.00 H new ATOM 1143 N VAL 2 19 -4.664 11.242 2.513 1.00 0.00 N ATOM 1144 CA VAL 2 19 -4.118 11.063 3.847 1.00 0.00 C ATOM 1145 C VAL 2 19 -2.655 11.513 3.860 1.00 0.00 C ATOM 1146 O VAL 2 19 -1.888 11.120 4.737 1.00 0.00 O ATOM 1147 CB VAL 2 19 -4.300 9.611 4.296 1.00 0.00 C ATOM 1148 CG1 VAL 2 19 -3.881 9.433 5.757 1.00 0.00 C ATOM 1149 CG2 VAL 2 19 -5.742 9.148 4.079 1.00 0.00 C ATOM 0 H VAL 2 19 -4.266 10.627 1.803 1.00 0.00 H new ATOM 0 HA VAL 2 19 -4.655 11.682 4.565 1.00 0.00 H new ATOM 0 HB VAL 2 19 -3.651 8.986 3.683 1.00 0.00 H new ATOM 0 HG11 VAL 2 19 -4.020 8.393 6.051 1.00 0.00 H new ATOM 0 HG12 VAL 2 19 -2.832 9.705 5.870 1.00 0.00 H new ATOM 0 HG13 VAL 2 19 -4.493 10.074 6.392 1.00 0.00 H new ATOM 0 HG21 VAL 2 19 -5.845 8.113 4.406 1.00 0.00 H new ATOM 0 HG22 VAL 2 19 -6.418 9.780 4.656 1.00 0.00 H new ATOM 0 HG23 VAL 2 19 -5.992 9.221 3.021 1.00 0.00 H new ATOM 1159 N ASP 2 20 -2.313 12.331 2.875 1.00 0.00 N ATOM 1160 CA ASP 2 20 -0.956 12.838 2.761 1.00 0.00 C ATOM 1161 C ASP 2 20 0.023 11.789 3.294 1.00 0.00 C ATOM 1162 O ASP 2 20 0.362 11.797 4.476 1.00 0.00 O ATOM 1163 CB ASP 2 20 -0.775 14.115 3.584 1.00 0.00 C ATOM 1164 CG ASP 2 20 0.647 14.361 4.093 1.00 0.00 C ATOM 1165 OD1 ASP 2 20 1.570 14.288 3.252 1.00 0.00 O ATOM 1166 OD2 ASP 2 20 0.778 14.615 5.309 1.00 0.00 O ATOM 0 H ASP 2 20 -2.952 12.655 2.149 1.00 0.00 H new ATOM 0 HA ASP 2 20 -0.764 13.055 1.710 1.00 0.00 H new ATOM 0 HB2 ASP 2 20 -1.080 14.967 2.976 1.00 0.00 H new ATOM 0 HB3 ASP 2 20 -1.449 14.076 4.440 1.00 0.00 H new ATOM 1171 N CYS 2 21 0.448 10.913 2.396 1.00 0.00 N ATOM 1172 CA CYS 2 21 1.380 9.860 2.762 1.00 0.00 C ATOM 1173 C CYS 2 21 2.589 10.504 3.442 1.00 0.00 C ATOM 1174 O CYS 2 21 3.174 9.925 4.355 1.00 0.00 O ATOM 1175 CB CYS 2 21 1.788 9.020 1.550 1.00 0.00 C ATOM 1176 SG CYS 2 21 1.905 7.222 1.867 1.00 0.00 S ATOM 0 H CYS 2 21 0.164 10.911 1.416 1.00 0.00 H new ATOM 0 HA CYS 2 21 0.899 9.170 3.455 1.00 0.00 H new ATOM 0 HB2 CYS 2 21 1.067 9.187 0.750 1.00 0.00 H new ATOM 0 HB3 CYS 2 21 2.753 9.374 1.188 1.00 0.00 H new ATOM 1181 N GLY 2 22 2.929 11.696 2.971 1.00 0.00 N ATOM 1182 CA GLY 2 22 4.058 12.426 3.522 1.00 0.00 C ATOM 1183 C GLY 2 22 5.337 11.588 3.457 1.00 0.00 C ATOM 1184 O GLY 2 22 5.982 11.352 4.478 1.00 0.00 O ATOM 0 H GLY 2 22 2.441 12.174 2.213 1.00 0.00 H new ATOM 0 HA2 GLY 2 22 4.199 13.355 2.970 1.00 0.00 H new ATOM 0 HA3 GLY 2 22 3.850 12.698 4.557 1.00 0.00 H new ATOM 1188 N TYR 2 23 5.665 11.160 2.247 1.00 0.00 N ATOM 1189 CA TYR 2 23 6.855 10.353 2.035 1.00 0.00 C ATOM 1190 C TYR 2 23 8.072 11.236 1.750 1.00 0.00 C ATOM 1191 O TYR 2 23 7.960 12.253 1.068 1.00 0.00 O ATOM 1192 CB TYR 2 23 6.567 9.491 0.806 1.00 0.00 C ATOM 1193 CG TYR 2 23 7.009 8.033 0.950 1.00 0.00 C ATOM 1194 CD1 TYR 2 23 6.827 7.373 2.148 1.00 0.00 C ATOM 1195 CD2 TYR 2 23 7.588 7.379 -0.118 1.00 0.00 C ATOM 1196 CE1 TYR 2 23 7.243 6.001 2.285 1.00 0.00 C ATOM 1197 CE2 TYR 2 23 8.004 6.007 0.019 1.00 0.00 C ATOM 1198 CZ TYR 2 23 7.812 5.386 1.212 1.00 0.00 C ATOM 1199 OH TYR 2 23 8.204 4.090 1.341 1.00 0.00 O ATOM 0 H TYR 2 23 5.127 11.357 1.403 1.00 0.00 H new ATOM 0 HA TYR 2 23 7.077 9.757 2.920 1.00 0.00 H new ATOM 0 HB2 TYR 2 23 5.497 9.517 0.600 1.00 0.00 H new ATOM 0 HB3 TYR 2 23 7.069 9.928 -0.057 1.00 0.00 H new ATOM 0 HD1 TYR 2 23 6.373 7.885 2.983 1.00 0.00 H new ATOM 0 HD2 TYR 2 23 7.729 7.895 -1.056 1.00 0.00 H new ATOM 0 HE1 TYR 2 23 7.107 5.473 3.217 1.00 0.00 H new ATOM 0 HE2 TYR 2 23 8.459 5.483 -0.809 1.00 0.00 H new ATOM 0 HH TYR 2 23 7.588 3.620 1.941 1.00 0.00 H new ATOM 1209 N PRO 2 24 9.237 10.803 2.301 1.00 0.00 N ATOM 1210 CA PRO 2 24 10.474 11.543 2.114 1.00 0.00 C ATOM 1211 C PRO 2 24 11.026 11.338 0.701 1.00 0.00 C ATOM 1212 O PRO 2 24 11.945 12.040 0.283 1.00 0.00 O ATOM 1213 CB PRO 2 24 11.408 11.029 3.197 1.00 0.00 C ATOM 1214 CG PRO 2 24 10.827 9.700 3.653 1.00 0.00 C ATOM 1215 CD PRO 2 24 9.408 9.604 3.115 1.00 0.00 C ATOM 0 HA PRO 2 24 10.338 12.621 2.204 1.00 0.00 H new ATOM 0 HB2 PRO 2 24 12.420 10.901 2.812 1.00 0.00 H new ATOM 0 HB3 PRO 2 24 11.469 11.734 4.026 1.00 0.00 H new ATOM 0 HG2 PRO 2 24 11.432 8.872 3.284 1.00 0.00 H new ATOM 0 HG3 PRO 2 24 10.828 9.636 4.741 1.00 0.00 H new ATOM 0 HD2 PRO 2 24 9.270 8.700 2.522 1.00 0.00 H new ATOM 0 HD3 PRO 2 24 8.679 9.568 3.925 1.00 0.00 H new ATOM 1223 N HIS 2 25 10.441 10.374 0.006 1.00 0.00 N ATOM 1224 CA HIS 2 25 10.863 10.068 -1.351 1.00 0.00 C ATOM 1225 C HIS 2 25 9.666 10.179 -2.297 1.00 0.00 C ATOM 1226 O HIS 2 25 9.602 9.479 -3.307 1.00 0.00 O ATOM 1227 CB HIS 2 25 11.543 8.699 -1.413 1.00 0.00 C ATOM 1228 CG HIS 2 25 12.880 8.645 -0.711 1.00 0.00 C ATOM 1229 ND1 HIS 2 25 14.050 8.281 -1.354 1.00 0.00 N ATOM 1230 CD2 HIS 2 25 13.218 8.914 0.584 1.00 0.00 C ATOM 1231 CE1 HIS 2 25 15.042 8.332 -0.476 1.00 0.00 C ATOM 1232 NE2 HIS 2 25 14.524 8.723 0.723 1.00 0.00 N ATOM 0 H HIS 2 25 9.678 9.794 0.357 1.00 0.00 H new ATOM 0 HA HIS 2 25 11.608 10.794 -1.677 1.00 0.00 H new ATOM 0 HB2 HIS 2 25 10.881 7.955 -0.969 1.00 0.00 H new ATOM 0 HB3 HIS 2 25 11.681 8.420 -2.458 1.00 0.00 H new ATOM 0 HD2 HIS 2 25 12.539 9.229 1.362 1.00 0.00 H new ATOM 0 HE1 HIS 2 25 16.079 8.104 -0.676 1.00 0.00 H new ATOM 0 HE2 HIS 2 25 15.054 8.848 1.586 1.00 0.00 H new ATOM 1241 N VAL 2 26 8.748 11.062 -1.937 1.00 0.00 N ATOM 1242 CA VAL 2 26 7.556 11.274 -2.742 1.00 0.00 C ATOM 1243 C VAL 2 26 7.962 11.473 -4.204 1.00 0.00 C ATOM 1244 O VAL 2 26 8.653 12.435 -4.535 1.00 0.00 O ATOM 1245 CB VAL 2 26 6.747 12.445 -2.182 1.00 0.00 C ATOM 1246 CG1 VAL 2 26 7.669 13.574 -1.715 1.00 0.00 C ATOM 1247 CG2 VAL 2 26 5.735 12.954 -3.210 1.00 0.00 C ATOM 0 H VAL 2 26 8.804 11.640 -1.098 1.00 0.00 H new ATOM 0 HA VAL 2 26 6.907 10.399 -2.701 1.00 0.00 H new ATOM 0 HB VAL 2 26 6.192 12.085 -1.316 1.00 0.00 H new ATOM 0 HG11 VAL 2 26 7.069 14.394 -1.321 1.00 0.00 H new ATOM 0 HG12 VAL 2 26 8.333 13.202 -0.934 1.00 0.00 H new ATOM 0 HG13 VAL 2 26 8.263 13.930 -2.557 1.00 0.00 H new ATOM 0 HG21 VAL 2 26 5.173 13.786 -2.786 1.00 0.00 H new ATOM 0 HG22 VAL 2 26 6.261 13.289 -4.104 1.00 0.00 H new ATOM 0 HG23 VAL 2 26 5.048 12.150 -3.474 1.00 0.00 H new ATOM 1257 N THR 2 27 7.516 10.547 -5.039 1.00 0.00 N ATOM 1258 CA THR 2 27 7.824 10.608 -6.459 1.00 0.00 C ATOM 1259 C THR 2 27 6.942 9.631 -7.239 1.00 0.00 C ATOM 1260 O THR 2 27 6.470 8.638 -6.686 1.00 0.00 O ATOM 1261 CB THR 2 27 9.321 10.344 -6.629 1.00 0.00 C ATOM 1262 OG1 THR 2 27 9.794 11.478 -7.351 1.00 0.00 O ATOM 1263 CG2 THR 2 27 9.605 9.163 -7.561 1.00 0.00 C ATOM 0 H THR 2 27 6.944 9.750 -4.761 1.00 0.00 H new ATOM 0 HA THR 2 27 7.604 11.593 -6.870 1.00 0.00 H new ATOM 0 HB THR 2 27 9.769 10.153 -5.654 1.00 0.00 H new ATOM 0 HG1 THR 2 27 10.758 11.390 -7.503 1.00 0.00 H new ATOM 0 HG21 THR 2 27 10.682 9.018 -7.647 1.00 0.00 H new ATOM 0 HG22 THR 2 27 9.149 8.260 -7.154 1.00 0.00 H new ATOM 0 HG23 THR 2 27 9.186 9.368 -8.546 1.00 0.00 H new ATOM 1271 N PRO 2 28 6.741 9.955 -8.544 1.00 0.00 N ATOM 1272 CA PRO 2 28 5.923 9.118 -9.406 1.00 0.00 C ATOM 1273 C PRO 2 28 6.672 7.843 -9.801 1.00 0.00 C ATOM 1274 O PRO 2 28 6.744 7.501 -10.981 1.00 0.00 O ATOM 1275 CB PRO 2 28 5.578 9.997 -10.596 1.00 0.00 C ATOM 1276 CG PRO 2 28 6.590 11.131 -10.584 1.00 0.00 C ATOM 1277 CD PRO 2 28 7.285 11.122 -9.232 1.00 0.00 C ATOM 0 HA PRO 2 28 5.017 8.765 -8.914 1.00 0.00 H new ATOM 0 HB2 PRO 2 28 5.634 9.433 -11.527 1.00 0.00 H new ATOM 0 HB3 PRO 2 28 4.561 10.380 -10.516 1.00 0.00 H new ATOM 0 HG2 PRO 2 28 7.316 11.003 -11.387 1.00 0.00 H new ATOM 0 HG3 PRO 2 28 6.094 12.087 -10.752 1.00 0.00 H new ATOM 0 HD2 PRO 2 28 8.367 11.048 -9.343 1.00 0.00 H new ATOM 0 HD3 PRO 2 28 7.084 12.038 -8.677 1.00 0.00 H new ATOM 1285 N LYS 2 29 7.211 7.174 -8.792 1.00 0.00 N ATOM 1286 CA LYS 2 29 7.951 5.944 -9.020 1.00 0.00 C ATOM 1287 C LYS 2 29 8.297 5.306 -7.673 1.00 0.00 C ATOM 1288 O LYS 2 29 8.528 4.100 -7.595 1.00 0.00 O ATOM 1289 CB LYS 2 29 9.170 6.209 -9.906 1.00 0.00 C ATOM 1290 CG LYS 2 29 9.883 4.903 -10.261 1.00 0.00 C ATOM 1291 CD LYS 2 29 10.089 4.783 -11.772 1.00 0.00 C ATOM 1292 CE LYS 2 29 9.768 3.369 -12.259 1.00 0.00 C ATOM 1293 NZ LYS 2 29 8.759 3.410 -13.341 1.00 0.00 N ATOM 0 H LYS 2 29 7.150 7.460 -7.815 1.00 0.00 H new ATOM 0 HA LYS 2 29 7.339 5.226 -9.566 1.00 0.00 H new ATOM 0 HB2 LYS 2 29 8.857 6.717 -10.819 1.00 0.00 H new ATOM 0 HB3 LYS 2 29 9.861 6.876 -9.391 1.00 0.00 H new ATOM 0 HG2 LYS 2 29 10.847 4.862 -9.755 1.00 0.00 H new ATOM 0 HG3 LYS 2 29 9.298 4.056 -9.902 1.00 0.00 H new ATOM 0 HD2 LYS 2 29 9.452 5.502 -12.288 1.00 0.00 H new ATOM 0 HD3 LYS 2 29 11.120 5.032 -12.023 1.00 0.00 H new ATOM 0 HE2 LYS 2 29 10.677 2.887 -12.619 1.00 0.00 H new ATOM 0 HE3 LYS 2 29 9.396 2.768 -11.429 1.00 0.00 H new ATOM 0 HZ1 LYS 2 29 8.553 2.442 -13.660 1.00 0.00 H new ATOM 0 HZ2 LYS 2 29 7.887 3.851 -12.986 1.00 0.00 H new ATOM 0 HZ3 LYS 2 29 9.128 3.966 -14.139 1.00 0.00 H new ATOM 1307 N GLU 2 30 8.322 6.144 -6.646 1.00 0.00 N ATOM 1308 CA GLU 2 30 8.637 5.676 -5.306 1.00 0.00 C ATOM 1309 C GLU 2 30 7.351 5.470 -4.502 1.00 0.00 C ATOM 1310 O GLU 2 30 7.195 4.456 -3.823 1.00 0.00 O ATOM 1311 CB GLU 2 30 9.580 6.646 -4.595 1.00 0.00 C ATOM 1312 CG GLU 2 30 11.003 6.086 -4.540 1.00 0.00 C ATOM 1313 CD GLU 2 30 11.423 5.795 -3.097 1.00 0.00 C ATOM 1314 OE1 GLU 2 30 10.509 5.564 -2.276 1.00 0.00 O ATOM 1315 OE2 GLU 2 30 12.647 5.812 -2.848 1.00 0.00 O ATOM 0 H GLU 2 30 8.129 7.143 -6.715 1.00 0.00 H new ATOM 0 HA GLU 2 30 9.150 4.718 -5.386 1.00 0.00 H new ATOM 0 HB2 GLU 2 30 9.582 7.604 -5.115 1.00 0.00 H new ATOM 0 HB3 GLU 2 30 9.220 6.833 -3.583 1.00 0.00 H new ATOM 0 HG2 GLU 2 30 11.061 5.172 -5.131 1.00 0.00 H new ATOM 0 HG3 GLU 2 30 11.696 6.799 -4.987 1.00 0.00 H new ATOM 1322 N CYS 2 31 6.464 6.449 -4.603 1.00 0.00 N ATOM 1323 CA CYS 2 31 5.199 6.388 -3.893 1.00 0.00 C ATOM 1324 C CYS 2 31 4.411 5.186 -4.416 1.00 0.00 C ATOM 1325 O CYS 2 31 4.015 4.315 -3.644 1.00 0.00 O ATOM 1326 CB CYS 2 31 4.409 7.692 -4.032 1.00 0.00 C ATOM 1327 SG CYS 2 31 4.912 9.021 -2.879 1.00 0.00 S ATOM 0 H CYS 2 31 6.597 7.289 -5.166 1.00 0.00 H new ATOM 0 HA CYS 2 31 5.384 6.263 -2.826 1.00 0.00 H new ATOM 0 HB2 CYS 2 31 4.515 8.057 -5.054 1.00 0.00 H new ATOM 0 HB3 CYS 2 31 3.351 7.478 -3.878 1.00 0.00 H new ATOM 1332 N ASN 2 32 4.207 5.177 -5.726 1.00 0.00 N ATOM 1333 CA ASN 2 32 3.474 4.095 -6.361 1.00 0.00 C ATOM 1334 C ASN 2 32 4.247 2.787 -6.183 1.00 0.00 C ATOM 1335 O ASN 2 32 3.755 1.717 -6.538 1.00 0.00 O ATOM 1336 CB ASN 2 32 3.310 4.347 -7.861 1.00 0.00 C ATOM 1337 CG ASN 2 32 2.015 5.109 -8.151 1.00 0.00 C ATOM 1338 OD1 ASN 2 32 1.878 6.231 -7.449 1.00 0.00 O flip ATOM 1339 ND2 ASN 2 32 1.194 4.705 -8.958 1.00 0.00 N flip ATOM 0 H ASN 2 32 4.536 5.901 -6.364 1.00 0.00 H new ATOM 0 HA ASN 2 32 2.490 4.036 -5.895 1.00 0.00 H new ATOM 0 HB2 ASN 2 32 4.162 4.916 -8.233 1.00 0.00 H new ATOM 0 HB3 ASN 2 32 3.304 3.397 -8.395 1.00 0.00 H new ATOM 0 HD21 ASN 2 32 1.361 3.835 -9.464 1.00 0.00 H new ATOM 0 HD22 ASN 2 32 0.340 5.237 -9.127 1.00 0.00 H new ATOM 1346 N ASN 2 33 5.447 2.916 -5.636 1.00 0.00 N ATOM 1347 CA ASN 2 33 6.294 1.757 -5.408 1.00 0.00 C ATOM 1348 C ASN 2 33 6.230 1.368 -3.929 1.00 0.00 C ATOM 1349 O ASN 2 33 6.385 0.197 -3.584 1.00 0.00 O ATOM 1350 CB ASN 2 33 7.753 2.063 -5.754 1.00 0.00 C ATOM 1351 CG ASN 2 33 8.677 0.944 -5.272 1.00 0.00 C ATOM 1352 OD1 ASN 2 33 8.431 -0.232 -5.481 1.00 0.00 O ATOM 1353 ND2 ASN 2 33 9.751 1.374 -4.618 1.00 0.00 N ATOM 0 H ASN 2 33 5.853 3.805 -5.344 1.00 0.00 H new ATOM 0 HA ASN 2 33 5.936 0.947 -6.044 1.00 0.00 H new ATOM 0 HB2 ASN 2 33 7.857 2.186 -6.832 1.00 0.00 H new ATOM 0 HB3 ASN 2 33 8.049 3.007 -5.296 1.00 0.00 H new ATOM 0 HD21 ASN 2 33 10.430 0.704 -4.256 1.00 0.00 H new ATOM 0 HD22 ASN 2 33 9.896 2.374 -4.478 1.00 0.00 H new ATOM 1360 N ARG 2 34 6.002 2.373 -3.096 1.00 0.00 N ATOM 1361 CA ARG 2 34 5.916 2.150 -1.662 1.00 0.00 C ATOM 1362 C ARG 2 34 4.483 1.795 -1.265 1.00 0.00 C ATOM 1363 O ARG 2 34 4.266 1.039 -0.318 1.00 0.00 O ATOM 1364 CB ARG 2 34 6.361 3.391 -0.885 1.00 0.00 C ATOM 1365 CG ARG 2 34 5.197 4.367 -0.697 1.00 0.00 C ATOM 1366 CD ARG 2 34 4.380 4.013 0.546 1.00 0.00 C ATOM 1367 NE ARG 2 34 4.615 5.017 1.608 1.00 0.00 N ATOM 1368 CZ ARG 2 34 4.213 4.874 2.878 1.00 0.00 C ATOM 1369 NH1 ARG 2 34 3.553 3.770 3.253 1.00 0.00 N ATOM 1370 NH2 ARG 2 34 4.471 5.836 3.775 1.00 0.00 N ATOM 0 H ARG 2 34 5.874 3.343 -3.386 1.00 0.00 H new ATOM 0 HA ARG 2 34 6.580 1.322 -1.414 1.00 0.00 H new ATOM 0 HB2 ARG 2 34 6.752 3.094 0.088 1.00 0.00 H new ATOM 0 HB3 ARG 2 34 7.173 3.886 -1.418 1.00 0.00 H new ATOM 0 HG2 ARG 2 34 5.581 5.383 -0.607 1.00 0.00 H new ATOM 0 HG3 ARG 2 34 4.554 4.346 -1.577 1.00 0.00 H new ATOM 0 HD2 ARG 2 34 3.320 3.977 0.296 1.00 0.00 H new ATOM 0 HD3 ARG 2 34 4.657 3.021 0.904 1.00 0.00 H new ATOM 0 HE ARG 2 34 5.114 5.871 1.357 1.00 0.00 H new ATOM 0 HH11 ARG 2 34 3.356 3.037 2.571 1.00 0.00 H new ATOM 0 HH12 ARG 2 34 3.247 3.662 4.220 1.00 0.00 H new ATOM 0 HH21 ARG 2 34 4.973 6.677 3.491 1.00 0.00 H new ATOM 0 HH22 ARG 2 34 4.165 5.727 4.742 1.00 0.00 H new ATOM 1384 N GLY 2 35 3.541 2.355 -2.009 1.00 0.00 N ATOM 1385 CA GLY 2 35 2.133 2.106 -1.747 1.00 0.00 C ATOM 1386 C GLY 2 35 1.355 3.418 -1.634 1.00 0.00 C ATOM 1387 O GLY 2 35 0.299 3.467 -1.005 1.00 0.00 O ATOM 0 H GLY 2 35 3.725 2.981 -2.793 1.00 0.00 H new ATOM 0 HA2 GLY 2 35 1.713 1.498 -2.548 1.00 0.00 H new ATOM 0 HA3 GLY 2 35 2.027 1.536 -0.824 1.00 0.00 H new ATOM 1391 N CYS 2 36 1.907 4.451 -2.255 1.00 0.00 N ATOM 1392 CA CYS 2 36 1.279 5.761 -2.233 1.00 0.00 C ATOM 1393 C CYS 2 36 0.988 6.179 -3.675 1.00 0.00 C ATOM 1394 O CYS 2 36 1.493 5.567 -4.617 1.00 0.00 O ATOM 1395 CB CYS 2 36 2.144 6.791 -1.504 1.00 0.00 C ATOM 1396 SG CYS 2 36 2.472 6.410 0.256 1.00 0.00 S ATOM 0 H CYS 2 36 2.783 4.407 -2.776 1.00 0.00 H new ATOM 0 HA CYS 2 36 0.344 5.709 -1.675 1.00 0.00 H new ATOM 0 HB2 CYS 2 36 3.097 6.879 -2.026 1.00 0.00 H new ATOM 0 HB3 CYS 2 36 1.656 7.764 -1.566 1.00 0.00 H new ATOM 1401 N CYS 2 37 0.176 7.217 -3.805 1.00 0.00 N ATOM 1402 CA CYS 2 37 -0.188 7.723 -5.117 1.00 0.00 C ATOM 1403 C CYS 2 37 0.405 9.125 -5.273 1.00 0.00 C ATOM 1404 O CYS 2 37 0.216 9.982 -4.411 1.00 0.00 O ATOM 1405 CB CYS 2 37 -1.704 7.719 -5.324 1.00 0.00 C ATOM 1406 SG CYS 2 37 -2.240 7.646 -7.073 1.00 0.00 S ATOM 0 H CYS 2 37 -0.241 7.722 -3.023 1.00 0.00 H new ATOM 0 HA CYS 2 37 0.220 7.069 -5.888 1.00 0.00 H new ATOM 0 HB2 CYS 2 37 -2.127 6.866 -4.793 1.00 0.00 H new ATOM 0 HB3 CYS 2 37 -2.121 8.617 -4.868 1.00 0.00 H new ATOM 0 HG CYS 2 37 -3.539 7.645 -7.129 1.00 0.00 H new ATOM 1411 N PHE 2 38 1.110 9.314 -6.378 1.00 0.00 N ATOM 1412 CA PHE 2 38 1.733 10.597 -6.658 1.00 0.00 C ATOM 1413 C PHE 2 38 0.823 11.470 -7.525 1.00 0.00 C ATOM 1414 O PHE 2 38 0.464 11.086 -8.636 1.00 0.00 O ATOM 1415 CB PHE 2 38 3.026 10.310 -7.424 1.00 0.00 C ATOM 1416 CG PHE 2 38 3.959 11.516 -7.542 1.00 0.00 C ATOM 1417 CD1 PHE 2 38 4.785 11.840 -6.512 1.00 0.00 C ATOM 1418 CD2 PHE 2 38 3.965 12.262 -8.679 1.00 0.00 C ATOM 1419 CE1 PHE 2 38 5.651 12.960 -6.622 1.00 0.00 C ATOM 1420 CE2 PHE 2 38 4.833 13.380 -8.789 1.00 0.00 C ATOM 1421 CZ PHE 2 38 5.657 13.706 -7.759 1.00 0.00 C ATOM 0 H PHE 2 38 1.264 8.600 -7.090 1.00 0.00 H new ATOM 0 HA PHE 2 38 1.923 11.130 -5.726 1.00 0.00 H new ATOM 0 HB2 PHE 2 38 3.558 9.499 -6.927 1.00 0.00 H new ATOM 0 HB3 PHE 2 38 2.773 9.960 -8.425 1.00 0.00 H new ATOM 0 HD1 PHE 2 38 4.783 11.246 -5.610 1.00 0.00 H new ATOM 0 HD2 PHE 2 38 3.310 12.004 -9.498 1.00 0.00 H new ATOM 0 HE1 PHE 2 38 6.305 13.219 -5.803 1.00 0.00 H new ATOM 0 HE2 PHE 2 38 4.838 13.972 -9.692 1.00 0.00 H new ATOM 0 HZ PHE 2 38 6.316 14.557 -7.843 1.00 0.00 H new ATOM 1431 N ASP 2 39 0.478 12.629 -6.983 1.00 0.00 N ATOM 1432 CA ASP 2 39 -0.383 13.560 -7.693 1.00 0.00 C ATOM 1433 C ASP 2 39 0.460 14.384 -8.668 1.00 0.00 C ATOM 1434 O ASP 2 39 0.535 14.064 -9.854 1.00 0.00 O ATOM 1435 CB ASP 2 39 -1.067 14.527 -6.724 1.00 0.00 C ATOM 1436 CG ASP 2 39 -1.285 15.940 -7.268 1.00 0.00 C ATOM 1437 OD1 ASP 2 39 -2.173 16.083 -8.137 1.00 0.00 O ATOM 1438 OD2 ASP 2 39 -0.559 16.845 -6.804 1.00 0.00 O ATOM 0 H ASP 2 39 0.779 12.944 -6.061 1.00 0.00 H new ATOM 0 HA ASP 2 39 -1.142 12.983 -8.221 1.00 0.00 H new ATOM 0 HB2 ASP 2 39 -2.033 14.110 -6.440 1.00 0.00 H new ATOM 0 HB3 ASP 2 39 -0.468 14.592 -5.816 1.00 0.00 H new ATOM 1443 N SER 2 40 1.072 15.431 -8.133 1.00 0.00 N ATOM 1444 CA SER 2 40 1.906 16.303 -8.941 1.00 0.00 C ATOM 1445 C SER 2 40 1.045 17.371 -9.618 1.00 0.00 C ATOM 1446 O SER 2 40 1.544 18.432 -9.990 1.00 0.00 O ATOM 1447 CB SER 2 40 2.685 15.506 -9.990 1.00 0.00 C ATOM 1448 OG SER 2 40 3.938 16.110 -10.298 1.00 0.00 O ATOM 0 H SER 2 40 1.006 15.694 -7.150 1.00 0.00 H new ATOM 0 HA SER 2 40 2.628 16.789 -8.284 1.00 0.00 H new ATOM 0 HB2 SER 2 40 2.851 14.492 -9.625 1.00 0.00 H new ATOM 0 HB3 SER 2 40 2.089 15.424 -10.899 1.00 0.00 H new ATOM 0 HG SER 2 40 4.405 15.570 -10.970 1.00 0.00 H new ATOM 1454 N ARG 2 41 -0.234 17.053 -9.757 1.00 0.00 N ATOM 1455 CA ARG 2 41 -1.169 17.973 -10.383 1.00 0.00 C ATOM 1456 C ARG 2 41 -1.327 19.232 -9.529 1.00 0.00 C ATOM 1457 O ARG 2 41 -1.357 20.344 -10.055 1.00 0.00 O ATOM 1458 CB ARG 2 41 -2.539 17.319 -10.573 1.00 0.00 C ATOM 1459 CG ARG 2 41 -2.395 15.859 -11.012 1.00 0.00 C ATOM 1460 CD ARG 2 41 -3.501 15.470 -11.994 1.00 0.00 C ATOM 1461 NE ARG 2 41 -3.161 15.947 -13.354 1.00 0.00 N ATOM 1462 CZ ARG 2 41 -2.343 15.299 -14.195 1.00 0.00 C ATOM 1463 NH1 ARG 2 41 -1.777 14.143 -13.822 1.00 0.00 N ATOM 1464 NH2 ARG 2 41 -2.093 15.807 -15.409 1.00 0.00 N ATOM 0 H ARG 2 41 -0.644 16.172 -9.447 1.00 0.00 H new ATOM 0 HA ARG 2 41 -0.767 18.241 -11.360 1.00 0.00 H new ATOM 0 HB2 ARG 2 41 -3.102 17.368 -9.641 1.00 0.00 H new ATOM 0 HB3 ARG 2 41 -3.109 17.872 -11.319 1.00 0.00 H new ATOM 0 HG2 ARG 2 41 -1.421 15.710 -11.478 1.00 0.00 H new ATOM 0 HG3 ARG 2 41 -2.433 15.208 -10.139 1.00 0.00 H new ATOM 0 HD2 ARG 2 41 -3.629 14.388 -12.001 1.00 0.00 H new ATOM 0 HD3 ARG 2 41 -4.450 15.901 -11.675 1.00 0.00 H new ATOM 0 HE ARG 2 41 -3.575 16.824 -13.671 1.00 0.00 H new ATOM 0 HH11 ARG 2 41 -1.969 13.756 -12.898 1.00 0.00 H new ATOM 0 HH12 ARG 2 41 -1.155 13.650 -14.462 1.00 0.00 H new ATOM 0 HH21 ARG 2 41 -2.525 16.686 -15.693 1.00 0.00 H new ATOM 0 HH22 ARG 2 41 -1.471 15.314 -16.050 1.00 0.00 H new ATOM 1478 N ILE 2 42 -1.426 19.016 -8.226 1.00 0.00 N ATOM 1479 CA ILE 2 42 -1.580 20.120 -7.294 1.00 0.00 C ATOM 1480 C ILE 2 42 -0.419 20.107 -6.297 1.00 0.00 C ATOM 1481 O ILE 2 42 -0.367 19.255 -5.410 1.00 0.00 O ATOM 1482 CB ILE 2 42 -2.959 20.074 -6.633 1.00 0.00 C ATOM 1483 CG1 ILE 2 42 -4.016 19.547 -7.605 1.00 0.00 C ATOM 1484 CG2 ILE 2 42 -3.338 21.442 -6.060 1.00 0.00 C ATOM 1485 CD1 ILE 2 42 -5.423 19.935 -7.148 1.00 0.00 C ATOM 0 H ILE 2 42 -1.403 18.093 -7.793 1.00 0.00 H new ATOM 0 HA ILE 2 42 -1.536 21.073 -7.822 1.00 0.00 H new ATOM 0 HB ILE 2 42 -2.914 19.376 -5.797 1.00 0.00 H new ATOM 0 HG12 ILE 2 42 -3.830 19.947 -8.602 1.00 0.00 H new ATOM 0 HG13 ILE 2 42 -3.940 18.462 -7.678 1.00 0.00 H new ATOM 0 HG21 ILE 2 42 -4.322 21.382 -5.596 1.00 0.00 H new ATOM 0 HG22 ILE 2 42 -2.602 21.740 -5.313 1.00 0.00 H new ATOM 0 HG23 ILE 2 42 -3.360 22.179 -6.863 1.00 0.00 H new ATOM 0 HD11 ILE 2 42 -6.155 19.548 -7.857 1.00 0.00 H new ATOM 0 HD12 ILE 2 42 -5.614 19.513 -6.161 1.00 0.00 H new ATOM 0 HD13 ILE 2 42 -5.503 21.021 -7.100 1.00 0.00 H new ATOM 1497 N PRO 2 43 0.507 21.085 -6.480 1.00 0.00 N ATOM 1498 CA PRO 2 43 1.663 21.194 -5.607 1.00 0.00 C ATOM 1499 C PRO 2 43 1.271 21.773 -4.247 1.00 0.00 C ATOM 1500 O PRO 2 43 2.106 21.879 -3.349 1.00 0.00 O ATOM 1501 CB PRO 2 43 2.647 22.071 -6.365 1.00 0.00 C ATOM 1502 CG PRO 2 43 1.829 22.799 -7.419 1.00 0.00 C ATOM 1503 CD PRO 2 43 0.479 22.111 -7.519 1.00 0.00 C ATOM 0 HA PRO 2 43 2.108 20.226 -5.376 1.00 0.00 H new ATOM 0 HB2 PRO 2 43 3.138 22.777 -5.695 1.00 0.00 H new ATOM 0 HB3 PRO 2 43 3.431 21.470 -6.825 1.00 0.00 H new ATOM 0 HG2 PRO 2 43 1.704 23.847 -7.148 1.00 0.00 H new ATOM 0 HG3 PRO 2 43 2.341 22.777 -8.381 1.00 0.00 H new ATOM 0 HD2 PRO 2 43 -0.337 22.815 -7.358 1.00 0.00 H new ATOM 0 HD3 PRO 2 43 0.331 21.672 -8.505 1.00 0.00 H new ATOM 1511 N GLY 2 44 0.001 22.131 -4.135 1.00 0.00 N ATOM 1512 CA GLY 2 44 -0.513 22.697 -2.899 1.00 0.00 C ATOM 1513 C GLY 2 44 -1.086 21.604 -1.993 1.00 0.00 C ATOM 1514 O GLY 2 44 -1.463 21.872 -0.854 1.00 0.00 O ATOM 0 H GLY 2 44 -0.689 22.040 -4.881 1.00 0.00 H new ATOM 0 HA2 GLY 2 44 0.285 23.226 -2.377 1.00 0.00 H new ATOM 0 HA3 GLY 2 44 -1.287 23.430 -3.125 1.00 0.00 H new ATOM 1518 N VAL 2 45 -1.134 20.396 -2.535 1.00 0.00 N ATOM 1519 CA VAL 2 45 -1.655 19.262 -1.791 1.00 0.00 C ATOM 1520 C VAL 2 45 -0.578 18.180 -1.698 1.00 0.00 C ATOM 1521 O VAL 2 45 0.549 18.381 -2.146 1.00 0.00 O ATOM 1522 CB VAL 2 45 -2.950 18.763 -2.436 1.00 0.00 C ATOM 1523 CG1 VAL 2 45 -3.751 19.925 -3.029 1.00 0.00 C ATOM 1524 CG2 VAL 2 45 -2.660 17.699 -3.496 1.00 0.00 C ATOM 0 H VAL 2 45 -0.821 20.178 -3.481 1.00 0.00 H new ATOM 0 HA VAL 2 45 -1.908 19.557 -0.773 1.00 0.00 H new ATOM 0 HB VAL 2 45 -3.556 18.302 -1.656 1.00 0.00 H new ATOM 0 HG11 VAL 2 45 -4.666 19.543 -3.481 1.00 0.00 H new ATOM 0 HG12 VAL 2 45 -4.004 20.633 -2.240 1.00 0.00 H new ATOM 0 HG13 VAL 2 45 -3.154 20.428 -3.789 1.00 0.00 H new ATOM 0 HG21 VAL 2 45 -3.597 17.361 -3.939 1.00 0.00 H new ATOM 0 HG22 VAL 2 45 -2.024 18.123 -4.273 1.00 0.00 H new ATOM 0 HG23 VAL 2 45 -2.152 16.853 -3.033 1.00 0.00 H new ATOM 1534 N PRO 2 46 -0.974 17.025 -1.098 1.00 0.00 N ATOM 1535 CA PRO 2 46 -0.054 15.911 -0.940 1.00 0.00 C ATOM 1536 C PRO 2 46 0.161 15.186 -2.271 1.00 0.00 C ATOM 1537 O PRO 2 46 -0.784 14.656 -2.853 1.00 0.00 O ATOM 1538 CB PRO 2 46 -0.686 15.027 0.123 1.00 0.00 C ATOM 1539 CG PRO 2 46 -2.150 15.433 0.185 1.00 0.00 C ATOM 1540 CD PRO 2 46 -2.301 16.752 -0.555 1.00 0.00 C ATOM 0 HA PRO 2 46 0.943 16.228 -0.634 1.00 0.00 H new ATOM 0 HB2 PRO 2 46 -0.583 13.973 -0.134 1.00 0.00 H new ATOM 0 HB3 PRO 2 46 -0.200 15.168 1.088 1.00 0.00 H new ATOM 0 HG2 PRO 2 46 -2.778 14.667 -0.269 1.00 0.00 H new ATOM 0 HG3 PRO 2 46 -2.473 15.537 1.221 1.00 0.00 H new ATOM 0 HD2 PRO 2 46 -3.046 16.679 -1.347 1.00 0.00 H new ATOM 0 HD3 PRO 2 46 -2.626 17.548 0.116 1.00 0.00 H new ATOM 1548 N TRP 2 47 1.410 15.187 -2.712 1.00 0.00 N ATOM 1549 CA TRP 2 47 1.762 14.535 -3.963 1.00 0.00 C ATOM 1550 C TRP 2 47 2.158 13.092 -3.649 1.00 0.00 C ATOM 1551 O TRP 2 47 2.945 12.488 -4.377 1.00 0.00 O ATOM 1552 CB TRP 2 47 2.859 15.311 -4.695 1.00 0.00 C ATOM 1553 CG TRP 2 47 3.098 16.719 -4.146 1.00 0.00 C ATOM 1554 CD1 TRP 2 47 2.341 17.812 -4.319 1.00 0.00 C ATOM 1555 CD2 TRP 2 47 4.204 17.145 -3.323 1.00 0.00 C ATOM 1556 NE1 TRP 2 47 2.876 18.906 -3.671 1.00 0.00 N ATOM 1557 CE2 TRP 2 47 4.045 18.487 -3.046 1.00 0.00 C ATOM 1558 CE3 TRP 2 47 5.303 16.420 -2.829 1.00 0.00 C ATOM 1559 CZ2 TRP 2 47 4.947 19.221 -2.265 1.00 0.00 C ATOM 1560 CZ3 TRP 2 47 6.195 17.168 -2.051 1.00 0.00 C ATOM 1561 CH2 TRP 2 47 6.049 18.519 -1.763 1.00 0.00 C ATOM 0 H TRP 2 47 2.191 15.628 -2.226 1.00 0.00 H new ATOM 0 HA TRP 2 47 0.911 14.521 -4.644 1.00 0.00 H new ATOM 0 HB2 TRP 2 47 3.790 14.747 -4.636 1.00 0.00 H new ATOM 0 HB3 TRP 2 47 2.596 15.383 -5.750 1.00 0.00 H new ATOM 0 HD1 TRP 2 47 1.427 17.833 -4.894 1.00 0.00 H new ATOM 0 HE1 TRP 2 47 2.486 19.848 -3.654 1.00 0.00 H new ATOM 0 HE3 TRP 2 47 5.448 15.369 -3.034 1.00 0.00 H new ATOM 0 HZ2 TRP 2 47 4.800 20.271 -2.061 1.00 0.00 H new ATOM 0 HZ3 TRP 2 47 7.057 16.659 -1.646 1.00 0.00 H new ATOM 0 HH2 TRP 2 47 6.783 19.026 -1.154 1.00 0.00 H new ATOM 1572 N CYS 2 48 1.595 12.579 -2.564 1.00 0.00 N ATOM 1573 CA CYS 2 48 1.881 11.218 -2.145 1.00 0.00 C ATOM 1574 C CYS 2 48 0.876 10.829 -1.059 1.00 0.00 C ATOM 1575 O CYS 2 48 0.993 11.267 0.085 1.00 0.00 O ATOM 1576 CB CYS 2 48 3.325 11.063 -1.667 1.00 0.00 C ATOM 1577 SG CYS 2 48 3.864 9.336 -1.393 1.00 0.00 S ATOM 0 H CYS 2 48 0.942 13.082 -1.963 1.00 0.00 H new ATOM 0 HA CYS 2 48 1.776 10.544 -2.995 1.00 0.00 H new ATOM 0 HB2 CYS 2 48 3.987 11.523 -2.401 1.00 0.00 H new ATOM 0 HB3 CYS 2 48 3.446 11.618 -0.737 1.00 0.00 H new ATOM 1582 N PHE 2 49 -0.090 10.012 -1.455 1.00 0.00 N ATOM 1583 CA PHE 2 49 -1.114 9.559 -0.530 1.00 0.00 C ATOM 1584 C PHE 2 49 -1.452 8.086 -0.763 1.00 0.00 C ATOM 1585 O PHE 2 49 -0.739 7.389 -1.484 1.00 0.00 O ATOM 1586 CB PHE 2 49 -2.362 10.405 -0.795 1.00 0.00 C ATOM 1587 CG PHE 2 49 -2.453 10.948 -2.223 1.00 0.00 C ATOM 1588 CD1 PHE 2 49 -1.523 11.831 -2.675 1.00 0.00 C ATOM 1589 CD2 PHE 2 49 -3.463 10.547 -3.040 1.00 0.00 C ATOM 1590 CE1 PHE 2 49 -1.606 12.335 -4.000 1.00 0.00 C ATOM 1591 CE2 PHE 2 49 -3.548 11.051 -4.365 1.00 0.00 C ATOM 1592 CZ PHE 2 49 -2.618 11.935 -4.817 1.00 0.00 C ATOM 0 H PHE 2 49 -0.184 9.652 -2.405 1.00 0.00 H new ATOM 0 HA PHE 2 49 -0.761 9.664 0.496 1.00 0.00 H new ATOM 0 HB2 PHE 2 49 -3.247 9.803 -0.589 1.00 0.00 H new ATOM 0 HB3 PHE 2 49 -2.376 11.242 -0.097 1.00 0.00 H new ATOM 0 HD1 PHE 2 49 -0.721 12.149 -2.026 1.00 0.00 H new ATOM 0 HD2 PHE 2 49 -4.201 9.845 -2.681 1.00 0.00 H new ATOM 0 HE1 PHE 2 49 -0.866 13.035 -4.359 1.00 0.00 H new ATOM 0 HE2 PHE 2 49 -4.351 10.733 -5.014 1.00 0.00 H new ATOM 0 HZ PHE 2 49 -2.683 12.319 -5.824 1.00 0.00 H new ATOM 1602 N LYS 2 50 -2.538 7.654 -0.139 1.00 0.00 N ATOM 1603 CA LYS 2 50 -2.978 6.276 -0.270 1.00 0.00 C ATOM 1604 C LYS 2 50 -4.437 6.253 -0.732 1.00 0.00 C ATOM 1605 O LYS 2 50 -5.325 5.862 0.024 1.00 0.00 O ATOM 1606 CB LYS 2 50 -2.733 5.510 1.032 1.00 0.00 C ATOM 1607 CG LYS 2 50 -3.185 6.327 2.243 1.00 0.00 C ATOM 1608 CD LYS 2 50 -1.983 6.882 3.010 1.00 0.00 C ATOM 1609 CE LYS 2 50 -1.029 5.759 3.419 1.00 0.00 C ATOM 1610 NZ LYS 2 50 -0.508 5.992 4.785 1.00 0.00 N ATOM 0 H LYS 2 50 -3.126 8.234 0.459 1.00 0.00 H new ATOM 0 HA LYS 2 50 -2.394 5.760 -1.032 1.00 0.00 H new ATOM 0 HB2 LYS 2 50 -3.271 4.562 1.007 1.00 0.00 H new ATOM 0 HB3 LYS 2 50 -1.673 5.273 1.124 1.00 0.00 H new ATOM 0 HG2 LYS 2 50 -3.822 7.148 1.915 1.00 0.00 H new ATOM 0 HG3 LYS 2 50 -3.786 5.702 2.904 1.00 0.00 H new ATOM 0 HD2 LYS 2 50 -1.454 7.606 2.390 1.00 0.00 H new ATOM 0 HD3 LYS 2 50 -2.327 7.413 3.897 1.00 0.00 H new ATOM 0 HE2 LYS 2 50 -1.548 4.801 3.380 1.00 0.00 H new ATOM 0 HE3 LYS 2 50 -0.201 5.702 2.713 1.00 0.00 H new ATOM 0 HZ1 LYS 2 50 0.138 5.220 5.047 1.00 0.00 H new ATOM 0 HZ2 LYS 2 50 0.005 6.896 4.811 1.00 0.00 H new ATOM 0 HZ3 LYS 2 50 -1.300 6.023 5.458 1.00 0.00 H new ATOM 1624 N PRO 2 51 -4.645 6.689 -2.003 1.00 0.00 N ATOM 1625 CA PRO 2 51 -5.980 6.723 -2.575 1.00 0.00 C ATOM 1626 C PRO 2 51 -6.453 5.315 -2.943 1.00 0.00 C ATOM 1627 O PRO 2 51 -6.971 4.588 -2.096 1.00 0.00 O ATOM 1628 CB PRO 2 51 -5.871 7.646 -3.776 1.00 0.00 C ATOM 1629 CG PRO 2 51 -4.390 7.727 -4.107 1.00 0.00 C ATOM 1630 CD PRO 2 51 -3.616 7.160 -2.927 1.00 0.00 C ATOM 0 HA PRO 2 51 -6.729 7.092 -1.874 1.00 0.00 H new ATOM 0 HB2 PRO 2 51 -6.439 7.256 -4.621 1.00 0.00 H new ATOM 0 HB3 PRO 2 51 -6.275 8.633 -3.548 1.00 0.00 H new ATOM 0 HG2 PRO 2 51 -4.170 7.163 -5.014 1.00 0.00 H new ATOM 0 HG3 PRO 2 51 -4.097 8.760 -4.295 1.00 0.00 H new ATOM 0 HD2 PRO 2 51 -2.960 6.347 -3.237 1.00 0.00 H new ATOM 0 HD3 PRO 2 51 -2.986 7.920 -2.465 1.00 0.00 H new ATOM 1638 N LEU 2 52 -6.260 4.973 -4.209 1.00 0.00 N ATOM 1639 CA LEU 2 52 -6.661 3.665 -4.700 1.00 0.00 C ATOM 1640 C LEU 2 52 -5.443 2.739 -4.723 1.00 0.00 C ATOM 1641 O LEU 2 52 -5.286 1.938 -5.644 1.00 0.00 O ATOM 1642 CB LEU 2 52 -7.363 3.793 -6.053 1.00 0.00 C ATOM 1643 CG LEU 2 52 -6.464 3.690 -7.287 1.00 0.00 C ATOM 1644 CD1 LEU 2 52 -6.687 2.365 -8.018 1.00 0.00 C ATOM 1645 CD2 LEU 2 52 -6.661 4.894 -8.210 1.00 0.00 C ATOM 0 H LEU 2 52 -5.832 5.579 -4.909 1.00 0.00 H new ATOM 0 HA LEU 2 52 -7.392 3.213 -4.030 1.00 0.00 H new ATOM 0 HB2 LEU 2 52 -8.127 3.018 -6.119 1.00 0.00 H new ATOM 0 HB3 LEU 2 52 -7.879 4.753 -6.083 1.00 0.00 H new ATOM 0 HG LEU 2 52 -5.426 3.704 -6.956 1.00 0.00 H new ATOM 0 HD11 LEU 2 52 -6.036 2.317 -8.891 1.00 0.00 H new ATOM 0 HD12 LEU 2 52 -6.457 1.537 -7.348 1.00 0.00 H new ATOM 0 HD13 LEU 2 52 -7.727 2.296 -8.337 1.00 0.00 H new ATOM 0 HD21 LEU 2 52 -6.011 4.796 -9.079 1.00 0.00 H new ATOM 0 HD22 LEU 2 52 -7.700 4.936 -8.537 1.00 0.00 H new ATOM 0 HD23 LEU 2 52 -6.413 5.809 -7.672 1.00 0.00 H new ATOM 1657 N GLN 2 53 -4.613 2.879 -3.701 1.00 0.00 N ATOM 1658 CA GLN 2 53 -3.414 2.064 -3.592 1.00 0.00 C ATOM 1659 C GLN 2 53 -3.747 0.593 -3.847 1.00 0.00 C ATOM 1660 O GLN 2 53 -2.865 -0.199 -4.174 1.00 0.00 O ATOM 1661 CB GLN 2 53 -2.748 2.247 -2.227 1.00 0.00 C ATOM 1662 CG GLN 2 53 -2.301 3.696 -2.025 1.00 0.00 C ATOM 1663 CD GLN 2 53 -1.318 4.124 -3.118 1.00 0.00 C ATOM 1664 OE1 GLN 2 53 -1.317 5.253 -3.580 1.00 0.00 O ATOM 1665 NE2 GLN 2 53 -0.484 3.161 -3.502 1.00 0.00 N ATOM 0 H GLN 2 53 -4.746 3.545 -2.940 1.00 0.00 H new ATOM 0 HA GLN 2 53 -2.705 2.393 -4.352 1.00 0.00 H new ATOM 0 HB2 GLN 2 53 -3.444 1.964 -1.438 1.00 0.00 H new ATOM 0 HB3 GLN 2 53 -1.888 1.583 -2.146 1.00 0.00 H new ATOM 0 HG2 GLN 2 53 -3.170 4.353 -2.035 1.00 0.00 H new ATOM 0 HG3 GLN 2 53 -1.832 3.803 -1.047 1.00 0.00 H new ATOM 0 HE21 GLN 2 53 -0.539 2.237 -3.073 1.00 0.00 H new ATOM 0 HE22 GLN 2 53 0.211 3.347 -4.225 1.00 0.00 H new ATOM 1674 N GLU 2 54 -5.023 0.272 -3.689 1.00 0.00 N ATOM 1675 CA GLU 2 54 -5.484 -1.090 -3.898 1.00 0.00 C ATOM 1676 C GLU 2 54 -4.738 -1.729 -5.071 1.00 0.00 C ATOM 1677 O GLU 2 54 -4.575 -2.947 -5.118 1.00 0.00 O ATOM 1678 CB GLU 2 54 -6.997 -1.129 -4.124 1.00 0.00 C ATOM 1679 CG GLU 2 54 -7.367 -0.493 -5.465 1.00 0.00 C ATOM 1680 CD GLU 2 54 -8.018 -1.519 -6.396 1.00 0.00 C ATOM 1681 OE1 GLU 2 54 -9.062 -2.072 -5.989 1.00 0.00 O ATOM 1682 OE2 GLU 2 54 -7.456 -1.725 -7.495 1.00 0.00 O ATOM 0 H GLU 2 54 -5.752 0.932 -3.419 1.00 0.00 H new ATOM 0 HA GLU 2 54 -5.269 -1.667 -2.998 1.00 0.00 H new ATOM 0 HB2 GLU 2 54 -7.346 -2.161 -4.098 1.00 0.00 H new ATOM 0 HB3 GLU 2 54 -7.503 -0.602 -3.315 1.00 0.00 H new ATOM 0 HG2 GLU 2 54 -8.051 0.340 -5.301 1.00 0.00 H new ATOM 0 HG3 GLU 2 54 -6.474 -0.084 -5.937 1.00 0.00 H new ATOM 1689 N ALA 2 55 -4.303 -0.877 -5.988 1.00 0.00 N ATOM 1690 CA ALA 2 55 -3.579 -1.343 -7.158 1.00 0.00 C ATOM 1691 C ALA 2 55 -2.763 -2.583 -6.787 1.00 0.00 C ATOM 1692 O ALA 2 55 -3.085 -3.693 -7.210 1.00 0.00 O ATOM 1693 CB ALA 2 55 -2.704 -0.212 -7.701 1.00 0.00 C ATOM 0 H ALA 2 55 -4.438 0.133 -5.944 1.00 0.00 H new ATOM 0 HA ALA 2 55 -4.272 -1.628 -7.949 1.00 0.00 H new ATOM 0 HB1 ALA 2 55 -2.161 -0.562 -8.579 1.00 0.00 H new ATOM 0 HB2 ALA 2 55 -3.333 0.634 -7.977 1.00 0.00 H new ATOM 0 HB3 ALA 2 55 -1.994 0.098 -6.935 1.00 0.00 H new ATOM 1699 N GLU 2 56 -1.723 -2.355 -5.999 1.00 0.00 N ATOM 1700 CA GLU 2 56 -0.859 -3.440 -5.565 1.00 0.00 C ATOM 1701 C GLU 2 56 -0.630 -3.365 -4.055 1.00 0.00 C ATOM 1702 O GLU 2 56 0.309 -3.967 -3.535 1.00 0.00 O ATOM 1703 CB GLU 2 56 0.470 -3.418 -6.323 1.00 0.00 C ATOM 1704 CG GLU 2 56 0.511 -4.514 -7.390 1.00 0.00 C ATOM 1705 CD GLU 2 56 -0.432 -4.187 -8.550 1.00 0.00 C ATOM 1706 OE1 GLU 2 56 -0.322 -3.055 -9.067 1.00 0.00 O ATOM 1707 OE2 GLU 2 56 -1.241 -5.076 -8.892 1.00 0.00 O ATOM 0 H GLU 2 56 -1.459 -1.434 -5.649 1.00 0.00 H new ATOM 0 HA GLU 2 56 -1.353 -4.385 -5.791 1.00 0.00 H new ATOM 0 HB2 GLU 2 56 0.609 -2.444 -6.792 1.00 0.00 H new ATOM 0 HB3 GLU 2 56 1.294 -3.556 -5.623 1.00 0.00 H new ATOM 0 HG2 GLU 2 56 1.529 -4.624 -7.764 1.00 0.00 H new ATOM 0 HG3 GLU 2 56 0.230 -5.469 -6.946 1.00 0.00 H new ATOM 1714 N CYS 2 57 -1.504 -2.621 -3.392 1.00 0.00 N ATOM 1715 CA CYS 2 57 -1.408 -2.460 -1.951 1.00 0.00 C ATOM 1716 C CYS 2 57 -2.391 -3.431 -1.293 1.00 0.00 C ATOM 1717 O CYS 2 57 -1.989 -4.475 -0.781 1.00 0.00 O ATOM 1718 CB CYS 2 57 -1.664 -1.013 -1.526 1.00 0.00 C ATOM 1719 SG CYS 2 57 -0.388 -0.299 -0.425 1.00 0.00 S ATOM 0 H CYS 2 57 -2.281 -2.123 -3.826 1.00 0.00 H new ATOM 0 HA CYS 2 57 -0.395 -2.692 -1.623 1.00 0.00 H new ATOM 0 HB2 CYS 2 57 -1.739 -0.394 -2.420 1.00 0.00 H new ATOM 0 HB3 CYS 2 57 -2.629 -0.963 -1.021 1.00 0.00 H new ATOM 1724 N THR 2 58 -3.660 -3.052 -1.327 1.00 0.00 N ATOM 1725 CA THR 2 58 -4.703 -3.876 -0.740 1.00 0.00 C ATOM 1726 C THR 2 58 -4.446 -5.354 -1.037 1.00 0.00 C ATOM 1727 O THR 2 58 -4.624 -6.206 -0.168 1.00 0.00 O ATOM 1728 CB THR 2 58 -6.051 -3.376 -1.266 1.00 0.00 C ATOM 1729 OG1 THR 2 58 -7.004 -3.955 -0.378 1.00 0.00 O ATOM 1730 CG2 THR 2 58 -6.405 -3.971 -2.630 1.00 0.00 C ATOM 0 H THR 2 58 -3.990 -2.185 -1.752 1.00 0.00 H new ATOM 0 HA THR 2 58 -4.709 -3.792 0.347 1.00 0.00 H new ATOM 0 HB THR 2 58 -6.032 -2.289 -1.339 1.00 0.00 H new ATOM 0 HG1 THR 2 58 -7.907 -3.682 -0.644 1.00 0.00 H new ATOM 0 HG21 THR 2 58 -7.370 -3.583 -2.957 1.00 0.00 H new ATOM 0 HG22 THR 2 58 -5.639 -3.697 -3.356 1.00 0.00 H new ATOM 0 HG23 THR 2 58 -6.458 -5.057 -2.551 1.00 0.00 H new ATOM 1738 N PHE 2 59 -4.029 -5.614 -2.268 1.00 0.00 N ATOM 1739 CA PHE 2 59 -3.744 -6.975 -2.691 1.00 0.00 C ATOM 1740 C PHE 2 59 -2.906 -7.710 -1.643 1.00 0.00 C ATOM 1741 O PHE 2 59 -2.256 -8.707 -1.951 1.00 0.00 O ATOM 1742 CB PHE 2 59 -2.946 -6.882 -3.992 1.00 0.00 C ATOM 1743 CG PHE 2 59 -3.798 -7.011 -5.256 1.00 0.00 C ATOM 1744 CD1 PHE 2 59 -4.925 -6.262 -5.396 1.00 0.00 C ATOM 1745 CD2 PHE 2 59 -3.430 -7.875 -6.239 1.00 0.00 C ATOM 1746 CE1 PHE 2 59 -5.716 -6.382 -6.569 1.00 0.00 C ATOM 1747 CE2 PHE 2 59 -4.220 -7.995 -7.412 1.00 0.00 C ATOM 1748 CZ PHE 2 59 -5.347 -7.246 -7.552 1.00 0.00 C ATOM 0 H PHE 2 59 -3.882 -4.905 -2.986 1.00 0.00 H new ATOM 0 HA PHE 2 59 -4.675 -7.526 -2.824 1.00 0.00 H new ATOM 0 HB2 PHE 2 59 -2.421 -5.927 -4.016 1.00 0.00 H new ATOM 0 HB3 PHE 2 59 -2.187 -7.664 -3.997 1.00 0.00 H new ATOM 0 HD1 PHE 2 59 -5.218 -5.576 -4.615 1.00 0.00 H new ATOM 0 HD2 PHE 2 59 -2.536 -8.470 -6.127 1.00 0.00 H new ATOM 0 HE1 PHE 2 59 -6.611 -5.787 -6.680 1.00 0.00 H new ATOM 0 HE2 PHE 2 59 -3.927 -8.681 -8.193 1.00 0.00 H new ATOM 0 HZ PHE 2 59 -5.949 -7.338 -8.444 1.00 0.00 H new