USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 620 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: 1 23 TYR OH : rot 121:sc= -3.96! USER MOD Set 1.2: 2 23 TYR OH : rot 0:sc= 0.835 USER MOD Single : 1 25 HIS : no HD1:sc= -0.227 K(o=-0.23,f=-0.91) USER MOD Single : 1 27 THR OG1 : rot 57:sc= 0.178 USER MOD Single : 1 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 32 ASN :FLIP amide:sc= -0.409 F(o=-2.8,f=-0.41) USER MOD Single : 1 33 ASN : amide:sc= -0.0406 K(o=-0.041,f=-1.8!) USER MOD Single : 1 37 CYS SG : rot 180:sc= -0.192 USER MOD Single : 1 40 SER OG : rot 180:sc= 0 USER MOD Single : 1 50 LYS NZ :NH3+ -147:sc= -3! (180deg=-4.95!) USER MOD Single : 1 53 GLN :FLIP amide:sc= -8.2! C(o=-8.8!,f=-8.2!) USER MOD Single : 1 58 THR OG1 : rot 180:sc= 0 USER MOD Single : 2 25 HIS : no HD1:sc= 0 X(o=0,f=-0.094) USER MOD Single : 2 27 THR OG1 : rot 59:sc= 0.0446 USER MOD Single : 2 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 2 32 ASN :FLIP amide:sc= -0.133 F(o=-1.2,f=-0.13) USER MOD Single : 2 33 ASN : amide:sc=-0.000664 K(o=-0.00066,f=-1.4) USER MOD Single : 2 37 CYS SG : rot 180:sc= -0.101 USER MOD Single : 2 40 SER OG : rot 102:sc= 0.127 USER MOD Single : 2 50 LYS NZ :NH3+ -152:sc= -0.911 (180deg=-1.72) USER MOD Single : 2 53 GLN : amide:sc= -9.51! C(o=-9.5!,f=-12!) USER MOD Single : 2 58 THR OG1 : rot 180:sc= -2.49! USER MOD ----------------------------------------------------------------- ATOM 228 N ASP 1 17 2.879 -15.087 -3.013 1.00 0.00 N ATOM 229 CA ASP 1 17 1.790 -14.384 -3.670 1.00 0.00 C ATOM 230 C ASP 1 17 1.952 -12.879 -3.444 1.00 0.00 C ATOM 231 O ASP 1 17 1.482 -12.074 -4.247 1.00 0.00 O ATOM 232 CB ASP 1 17 0.436 -14.806 -3.097 1.00 0.00 C ATOM 233 CG ASP 1 17 -0.779 -14.349 -3.906 1.00 0.00 C ATOM 234 OD1 ASP 1 17 -0.557 -13.650 -4.919 1.00 0.00 O ATOM 235 OD2 ASP 1 17 -1.903 -14.707 -3.494 1.00 0.00 O ATOM 0 HA ASP 1 17 1.823 -14.628 -4.732 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 0.414 -15.893 -3.020 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 0.348 -14.412 -2.084 1.00 0.00 H new ATOM 240 N ARG 1 18 2.617 -12.545 -2.348 1.00 0.00 N ATOM 241 CA ARG 1 18 2.845 -11.151 -2.007 1.00 0.00 C ATOM 242 C ARG 1 18 3.490 -10.416 -3.184 1.00 0.00 C ATOM 243 O ARG 1 18 3.778 -11.020 -4.215 1.00 0.00 O ATOM 244 CB ARG 1 18 3.750 -11.026 -0.779 1.00 0.00 C ATOM 245 CG ARG 1 18 3.184 -11.817 0.401 1.00 0.00 C ATOM 246 CD ARG 1 18 4.304 -12.485 1.202 1.00 0.00 C ATOM 247 NE ARG 1 18 3.730 -13.425 2.191 1.00 0.00 N ATOM 248 CZ ARG 1 18 4.284 -13.694 3.380 1.00 0.00 C ATOM 249 NH1 ARG 1 18 5.429 -13.098 3.737 1.00 0.00 N ATOM 250 NH2 ARG 1 18 3.692 -14.561 4.214 1.00 0.00 N ATOM 0 H ARG 1 18 3.005 -13.216 -1.685 1.00 0.00 H new ATOM 0 HA ARG 1 18 1.878 -10.702 -1.779 1.00 0.00 H new ATOM 0 HB2 ARG 1 18 4.749 -11.390 -1.020 1.00 0.00 H new ATOM 0 HB3 ARG 1 18 3.852 -9.976 -0.503 1.00 0.00 H new ATOM 0 HG2 ARG 1 18 2.615 -11.151 1.050 1.00 0.00 H new ATOM 0 HG3 ARG 1 18 2.491 -12.575 0.036 1.00 0.00 H new ATOM 0 HD2 ARG 1 18 4.975 -13.018 0.529 1.00 0.00 H new ATOM 0 HD3 ARG 1 18 4.899 -11.727 1.712 1.00 0.00 H new ATOM 0 HE ARG 1 18 2.858 -13.897 1.952 1.00 0.00 H new ATOM 0 HH11 ARG 1 18 5.880 -12.438 3.103 1.00 0.00 H new ATOM 0 HH12 ARG 1 18 5.850 -13.304 4.643 1.00 0.00 H new ATOM 0 HH21 ARG 1 18 2.820 -15.015 3.943 1.00 0.00 H new ATOM 0 HH22 ARG 1 18 4.114 -14.766 5.120 1.00 0.00 H new ATOM 264 N VAL 1 19 3.698 -9.121 -2.989 1.00 0.00 N ATOM 265 CA VAL 1 19 4.302 -8.297 -4.022 1.00 0.00 C ATOM 266 C VAL 1 19 5.695 -7.857 -3.565 1.00 0.00 C ATOM 267 O VAL 1 19 6.246 -6.890 -4.089 1.00 0.00 O ATOM 268 CB VAL 1 19 3.383 -7.121 -4.357 1.00 0.00 C ATOM 269 CG1 VAL 1 19 3.692 -6.564 -5.748 1.00 0.00 C ATOM 270 CG2 VAL 1 19 1.911 -7.525 -4.242 1.00 0.00 C ATOM 0 H VAL 1 19 3.459 -8.623 -2.131 1.00 0.00 H new ATOM 0 HA VAL 1 19 4.426 -8.867 -4.943 1.00 0.00 H new ATOM 0 HB VAL 1 19 3.571 -6.331 -3.630 1.00 0.00 H new ATOM 0 HG11 VAL 1 19 3.025 -5.729 -5.962 1.00 0.00 H new ATOM 0 HG12 VAL 1 19 4.726 -6.220 -5.781 1.00 0.00 H new ATOM 0 HG13 VAL 1 19 3.546 -7.345 -6.494 1.00 0.00 H new ATOM 0 HG21 VAL 1 19 1.279 -6.671 -4.485 1.00 0.00 H new ATOM 0 HG22 VAL 1 19 1.702 -8.340 -4.935 1.00 0.00 H new ATOM 0 HG23 VAL 1 19 1.702 -7.852 -3.224 1.00 0.00 H new ATOM 280 N ASP 1 20 6.222 -8.587 -2.594 1.00 0.00 N ATOM 281 CA ASP 1 20 7.540 -8.283 -2.061 1.00 0.00 C ATOM 282 C ASP 1 20 7.756 -6.768 -2.079 1.00 0.00 C ATOM 283 O ASP 1 20 8.301 -6.227 -3.039 1.00 0.00 O ATOM 284 CB ASP 1 20 8.639 -8.928 -2.910 1.00 0.00 C ATOM 285 CG ASP 1 20 9.975 -8.182 -2.910 1.00 0.00 C ATOM 286 OD1 ASP 1 20 10.536 -8.021 -1.805 1.00 0.00 O ATOM 287 OD2 ASP 1 20 10.406 -7.790 -4.017 1.00 0.00 O ATOM 0 H ASP 1 20 5.761 -9.388 -2.162 1.00 0.00 H new ATOM 0 HA ASP 1 20 7.592 -8.675 -1.045 1.00 0.00 H new ATOM 0 HB2 ASP 1 20 8.807 -9.943 -2.551 1.00 0.00 H new ATOM 0 HB3 ASP 1 20 8.284 -9.008 -3.938 1.00 0.00 H new ATOM 292 N CYS 1 21 7.317 -6.128 -1.005 1.00 0.00 N ATOM 293 CA CYS 1 21 7.455 -4.687 -0.885 1.00 0.00 C ATOM 294 C CYS 1 21 8.901 -4.313 -1.219 1.00 0.00 C ATOM 295 O CYS 1 21 9.157 -3.254 -1.789 1.00 0.00 O ATOM 296 CB CYS 1 21 7.045 -4.193 0.504 1.00 0.00 C ATOM 297 SG CYS 1 21 6.278 -2.531 0.532 1.00 0.00 S ATOM 0 H CYS 1 21 6.866 -6.581 -0.210 1.00 0.00 H new ATOM 0 HA CYS 1 21 6.782 -4.195 -1.587 1.00 0.00 H new ATOM 0 HB2 CYS 1 21 6.345 -4.908 0.937 1.00 0.00 H new ATOM 0 HB3 CYS 1 21 7.926 -4.182 1.145 1.00 0.00 H new ATOM 302 N GLY 1 22 9.809 -5.204 -0.849 1.00 0.00 N ATOM 303 CA GLY 1 22 11.223 -4.982 -1.103 1.00 0.00 C ATOM 304 C GLY 1 22 11.642 -3.575 -0.673 1.00 0.00 C ATOM 305 O GLY 1 22 12.112 -2.786 -1.490 1.00 0.00 O ATOM 0 H GLY 1 22 9.593 -6.081 -0.375 1.00 0.00 H new ATOM 0 HA2 GLY 1 22 11.814 -5.722 -0.563 1.00 0.00 H new ATOM 0 HA3 GLY 1 22 11.432 -5.119 -2.164 1.00 0.00 H new ATOM 309 N TYR 1 23 11.456 -3.303 0.611 1.00 0.00 N ATOM 310 CA TYR 1 23 11.809 -2.005 1.160 1.00 0.00 C ATOM 311 C TYR 1 23 13.232 -2.015 1.721 1.00 0.00 C ATOM 312 O TYR 1 23 13.670 -3.011 2.296 1.00 0.00 O ATOM 313 CB TYR 1 23 10.825 -1.749 2.302 1.00 0.00 C ATOM 314 CG TYR 1 23 9.791 -0.663 2.002 1.00 0.00 C ATOM 315 CD1 TYR 1 23 8.762 -0.915 1.118 1.00 0.00 C ATOM 316 CD2 TYR 1 23 9.887 0.571 2.615 1.00 0.00 C ATOM 317 CE1 TYR 1 23 7.789 0.108 0.835 1.00 0.00 C ATOM 318 CE2 TYR 1 23 8.914 1.594 2.332 1.00 0.00 C ATOM 319 CZ TYR 1 23 7.913 1.312 1.455 1.00 0.00 C ATOM 320 OH TYR 1 23 6.994 2.278 1.188 1.00 0.00 O ATOM 0 H TYR 1 23 11.065 -3.960 1.287 1.00 0.00 H new ATOM 0 HA TYR 1 23 11.763 -1.237 0.388 1.00 0.00 H new ATOM 0 HB2 TYR 1 23 10.304 -2.678 2.534 1.00 0.00 H new ATOM 0 HB3 TYR 1 23 11.385 -1.467 3.194 1.00 0.00 H new ATOM 0 HD1 TYR 1 23 8.686 -1.880 0.638 1.00 0.00 H new ATOM 0 HD2 TYR 1 23 10.692 0.769 3.307 1.00 0.00 H new ATOM 0 HE1 TYR 1 23 6.979 -0.077 0.146 1.00 0.00 H new ATOM 0 HE2 TYR 1 23 8.977 2.563 2.805 1.00 0.00 H new ATOM 0 HH TYR 1 23 6.549 2.545 2.019 1.00 0.00 H new ATOM 330 N PRO 1 24 13.934 -0.867 1.528 1.00 0.00 N ATOM 331 CA PRO 1 24 15.300 -0.735 2.008 1.00 0.00 C ATOM 332 C PRO 1 24 15.331 -0.540 3.526 1.00 0.00 C ATOM 333 O PRO 1 24 16.399 -0.555 4.135 1.00 0.00 O ATOM 334 CB PRO 1 24 15.872 0.450 1.246 1.00 0.00 C ATOM 335 CG PRO 1 24 14.675 1.221 0.715 1.00 0.00 C ATOM 336 CD PRO 1 24 13.449 0.333 0.852 1.00 0.00 C ATOM 0 HA PRO 1 24 15.896 -1.630 1.832 1.00 0.00 H new ATOM 0 HB2 PRO 1 24 16.482 1.076 1.898 1.00 0.00 H new ATOM 0 HB3 PRO 1 24 16.515 0.117 0.431 1.00 0.00 H new ATOM 0 HG2 PRO 1 24 14.540 2.147 1.273 1.00 0.00 H new ATOM 0 HG3 PRO 1 24 14.831 1.497 -0.328 1.00 0.00 H new ATOM 0 HD2 PRO 1 24 12.667 0.824 1.430 1.00 0.00 H new ATOM 0 HD3 PRO 1 24 13.023 0.094 -0.122 1.00 0.00 H new ATOM 344 N HIS 1 25 14.146 -0.363 4.092 1.00 0.00 N ATOM 345 CA HIS 1 25 14.025 -0.166 5.527 1.00 0.00 C ATOM 346 C HIS 1 25 13.123 -1.251 6.118 1.00 0.00 C ATOM 347 O HIS 1 25 12.588 -1.089 7.214 1.00 0.00 O ATOM 348 CB HIS 1 25 13.535 1.249 5.841 1.00 0.00 C ATOM 349 CG HIS 1 25 14.286 1.924 6.963 1.00 0.00 C ATOM 350 ND1 HIS 1 25 13.990 1.711 8.298 1.00 0.00 N ATOM 351 CD2 HIS 1 25 15.326 2.807 6.935 1.00 0.00 C ATOM 352 CE1 HIS 1 25 14.819 2.440 9.032 1.00 0.00 C ATOM 353 NE2 HIS 1 25 15.645 3.118 8.185 1.00 0.00 N ATOM 0 H HIS 1 25 13.262 -0.352 3.583 1.00 0.00 H new ATOM 0 HA HIS 1 25 15.004 -0.261 5.996 1.00 0.00 H new ATOM 0 HB2 HIS 1 25 13.620 1.860 4.942 1.00 0.00 H new ATOM 0 HB3 HIS 1 25 12.477 1.207 6.099 1.00 0.00 H new ATOM 0 HD2 HIS 1 25 15.808 3.188 6.047 1.00 0.00 H new ATOM 0 HE1 HIS 1 25 14.837 2.488 10.111 1.00 0.00 H new ATOM 0 HE2 HIS 1 25 16.387 3.759 8.466 1.00 0.00 H new ATOM 362 N VAL 1 26 12.982 -2.333 5.367 1.00 0.00 N ATOM 363 CA VAL 1 26 12.154 -3.444 5.804 1.00 0.00 C ATOM 364 C VAL 1 26 12.486 -3.781 7.259 1.00 0.00 C ATOM 365 O VAL 1 26 13.649 -3.976 7.606 1.00 0.00 O ATOM 366 CB VAL 1 26 12.335 -4.635 4.859 1.00 0.00 C ATOM 367 CG1 VAL 1 26 13.813 -4.850 4.526 1.00 0.00 C ATOM 368 CG2 VAL 1 26 11.715 -5.902 5.450 1.00 0.00 C ATOM 0 H VAL 1 26 13.427 -2.464 4.459 1.00 0.00 H new ATOM 0 HA VAL 1 26 11.099 -3.172 5.766 1.00 0.00 H new ATOM 0 HB VAL 1 26 11.812 -4.409 3.930 1.00 0.00 H new ATOM 0 HG11 VAL 1 26 13.914 -5.702 3.853 1.00 0.00 H new ATOM 0 HG12 VAL 1 26 14.211 -3.957 4.043 1.00 0.00 H new ATOM 0 HG13 VAL 1 26 14.368 -5.044 5.444 1.00 0.00 H new ATOM 0 HG21 VAL 1 26 11.857 -6.733 4.759 1.00 0.00 H new ATOM 0 HG22 VAL 1 26 12.196 -6.134 6.400 1.00 0.00 H new ATOM 0 HG23 VAL 1 26 10.649 -5.744 5.612 1.00 0.00 H new ATOM 378 N THR 1 27 11.440 -3.838 8.072 1.00 0.00 N ATOM 379 CA THR 1 27 11.606 -4.147 9.482 1.00 0.00 C ATOM 380 C THR 1 27 10.258 -4.501 10.112 1.00 0.00 C ATOM 381 O THR 1 27 9.214 -4.035 9.658 1.00 0.00 O ATOM 382 CB THR 1 27 12.294 -2.955 10.150 1.00 0.00 C ATOM 383 OG1 THR 1 27 13.572 -3.460 10.530 1.00 0.00 O ATOM 384 CG2 THR 1 27 11.637 -2.567 11.476 1.00 0.00 C ATOM 0 H THR 1 27 10.476 -3.676 7.781 1.00 0.00 H new ATOM 0 HA THR 1 27 12.236 -5.025 9.623 1.00 0.00 H new ATOM 0 HB THR 1 27 12.277 -2.101 9.473 1.00 0.00 H new ATOM 0 HG1 THR 1 27 14.032 -3.814 9.740 1.00 0.00 H new ATOM 0 HG21 THR 1 27 12.164 -1.716 11.908 1.00 0.00 H new ATOM 0 HG22 THR 1 27 10.595 -2.298 11.301 1.00 0.00 H new ATOM 0 HG23 THR 1 27 11.683 -3.410 12.165 1.00 0.00 H new ATOM 392 N PRO 1 28 10.324 -5.346 11.177 1.00 0.00 N ATOM 393 CA PRO 1 28 9.122 -5.767 11.874 1.00 0.00 C ATOM 394 C PRO 1 28 8.576 -4.644 12.756 1.00 0.00 C ATOM 395 O PRO 1 28 8.352 -4.840 13.950 1.00 0.00 O ATOM 396 CB PRO 1 28 9.538 -6.996 12.667 1.00 0.00 C ATOM 397 CG PRO 1 28 11.054 -6.944 12.752 1.00 0.00 C ATOM 398 CD PRO 1 28 11.543 -5.919 11.742 1.00 0.00 C ATOM 0 HA PRO 1 28 8.304 -6.005 11.194 1.00 0.00 H new ATOM 0 HB2 PRO 1 28 9.091 -6.989 13.661 1.00 0.00 H new ATOM 0 HB3 PRO 1 28 9.206 -7.910 12.174 1.00 0.00 H new ATOM 0 HG2 PRO 1 28 11.371 -6.669 13.758 1.00 0.00 H new ATOM 0 HG3 PRO 1 28 11.482 -7.924 12.539 1.00 0.00 H new ATOM 0 HD2 PRO 1 28 12.156 -5.154 12.219 1.00 0.00 H new ATOM 0 HD3 PRO 1 28 12.157 -6.384 10.971 1.00 0.00 H new ATOM 406 N LYS 1 29 8.378 -3.491 12.135 1.00 0.00 N ATOM 407 CA LYS 1 29 7.862 -2.335 12.849 1.00 0.00 C ATOM 408 C LYS 1 29 7.824 -1.132 11.904 1.00 0.00 C ATOM 409 O LYS 1 29 7.120 -0.157 12.162 1.00 0.00 O ATOM 410 CB LYS 1 29 8.671 -2.088 14.124 1.00 0.00 C ATOM 411 CG LYS 1 29 7.779 -1.549 15.244 1.00 0.00 C ATOM 412 CD LYS 1 29 7.776 -2.496 16.446 1.00 0.00 C ATOM 413 CE LYS 1 29 7.661 -1.717 17.757 1.00 0.00 C ATOM 414 NZ LYS 1 29 6.262 -1.719 18.240 1.00 0.00 N ATOM 0 H LYS 1 29 8.566 -3.332 11.145 1.00 0.00 H new ATOM 0 HA LYS 1 29 6.839 -2.516 13.177 1.00 0.00 H new ATOM 0 HB2 LYS 1 29 9.143 -3.017 14.445 1.00 0.00 H new ATOM 0 HB3 LYS 1 29 9.472 -1.378 13.919 1.00 0.00 H new ATOM 0 HG2 LYS 1 29 8.131 -0.565 15.553 1.00 0.00 H new ATOM 0 HG3 LYS 1 29 6.762 -1.422 14.874 1.00 0.00 H new ATOM 0 HD2 LYS 1 29 6.944 -3.196 16.360 1.00 0.00 H new ATOM 0 HD3 LYS 1 29 8.691 -3.088 16.450 1.00 0.00 H new ATOM 0 HE2 LYS 1 29 8.312 -2.162 18.509 1.00 0.00 H new ATOM 0 HE3 LYS 1 29 7.999 -0.692 17.608 1.00 0.00 H new ATOM 0 HZ1 LYS 1 29 6.202 -1.186 19.131 1.00 0.00 H new ATOM 0 HZ2 LYS 1 29 5.648 -1.274 17.528 1.00 0.00 H new ATOM 0 HZ3 LYS 1 29 5.952 -2.698 18.401 1.00 0.00 H new ATOM 428 N GLU 1 30 8.589 -1.241 10.827 1.00 0.00 N ATOM 429 CA GLU 1 30 8.650 -0.175 9.841 1.00 0.00 C ATOM 430 C GLU 1 30 7.754 -0.505 8.646 1.00 0.00 C ATOM 431 O GLU 1 30 7.001 0.347 8.178 1.00 0.00 O ATOM 432 CB GLU 1 30 10.092 0.075 9.394 1.00 0.00 C ATOM 433 CG GLU 1 30 10.665 1.325 10.065 1.00 0.00 C ATOM 434 CD GLU 1 30 10.986 1.059 11.537 1.00 0.00 C ATOM 435 OE1 GLU 1 30 12.085 0.524 11.791 1.00 0.00 O ATOM 436 OE2 GLU 1 30 10.122 1.398 12.375 1.00 0.00 O ATOM 0 H GLU 1 30 9.172 -2.051 10.616 1.00 0.00 H new ATOM 0 HA GLU 1 30 8.283 0.742 10.302 1.00 0.00 H new ATOM 0 HB2 GLU 1 30 10.708 -0.790 9.641 1.00 0.00 H new ATOM 0 HB3 GLU 1 30 10.126 0.191 8.311 1.00 0.00 H new ATOM 0 HG2 GLU 1 30 11.569 1.640 9.543 1.00 0.00 H new ATOM 0 HG3 GLU 1 30 9.950 2.144 9.987 1.00 0.00 H new ATOM 443 N CYS 1 31 7.866 -1.742 8.187 1.00 0.00 N ATOM 444 CA CYS 1 31 7.075 -2.194 7.055 1.00 0.00 C ATOM 445 C CYS 1 31 5.599 -1.943 7.369 1.00 0.00 C ATOM 446 O CYS 1 31 4.889 -1.326 6.576 1.00 0.00 O ATOM 447 CB CYS 1 31 7.347 -3.665 6.727 1.00 0.00 C ATOM 448 SG CYS 1 31 8.840 -3.962 5.712 1.00 0.00 S ATOM 0 H CYS 1 31 8.492 -2.446 8.578 1.00 0.00 H new ATOM 0 HA CYS 1 31 7.356 -1.632 6.164 1.00 0.00 H new ATOM 0 HB2 CYS 1 31 7.444 -4.219 7.661 1.00 0.00 H new ATOM 0 HB3 CYS 1 31 6.482 -4.072 6.203 1.00 0.00 H new ATOM 453 N ASN 1 32 5.182 -2.434 8.527 1.00 0.00 N ATOM 454 CA ASN 1 32 3.803 -2.269 8.955 1.00 0.00 C ATOM 455 C ASN 1 32 3.533 -0.790 9.237 1.00 0.00 C ATOM 456 O ASN 1 32 2.405 -0.408 9.541 1.00 0.00 O ATOM 457 CB ASN 1 32 3.528 -3.053 10.239 1.00 0.00 C ATOM 458 CG ASN 1 32 2.833 -4.381 9.933 1.00 0.00 C ATOM 459 OD1 ASN 1 32 3.552 -5.206 9.177 1.00 0.00 O flip ATOM 460 ND2 ASN 1 32 1.718 -4.640 10.357 1.00 0.00 N flip ATOM 0 H ASN 1 32 5.774 -2.946 9.181 1.00 0.00 H new ATOM 0 HA ASN 1 32 3.157 -2.641 8.160 1.00 0.00 H new ATOM 0 HB2 ASN 1 32 4.466 -3.241 10.762 1.00 0.00 H new ATOM 0 HB3 ASN 1 32 2.905 -2.458 10.906 1.00 0.00 H new ATOM 0 HD21 ASN 1 32 1.221 -3.961 10.933 1.00 0.00 H new ATOM 0 HD22 ASN 1 32 1.284 -5.536 10.136 1.00 0.00 H new ATOM 467 N ASN 1 33 4.590 0.003 9.125 1.00 0.00 N ATOM 468 CA ASN 1 33 4.481 1.432 9.365 1.00 0.00 C ATOM 469 C ASN 1 33 4.482 2.170 8.025 1.00 0.00 C ATOM 470 O ASN 1 33 3.901 3.248 7.906 1.00 0.00 O ATOM 471 CB ASN 1 33 5.666 1.944 10.187 1.00 0.00 C ATOM 472 CG ASN 1 33 5.321 3.263 10.882 1.00 0.00 C ATOM 473 OD1 ASN 1 33 4.192 3.726 10.868 1.00 0.00 O ATOM 474 ND2 ASN 1 33 6.355 3.840 11.488 1.00 0.00 N ATOM 0 H ASN 1 33 5.525 -0.317 8.872 1.00 0.00 H new ATOM 0 HA ASN 1 33 3.556 1.613 9.913 1.00 0.00 H new ATOM 0 HB2 ASN 1 33 5.946 1.199 10.931 1.00 0.00 H new ATOM 0 HB3 ASN 1 33 6.530 2.086 9.537 1.00 0.00 H new ATOM 0 HD21 ASN 1 33 6.229 4.725 11.980 1.00 0.00 H new ATOM 0 HD22 ASN 1 33 7.274 3.398 11.461 1.00 0.00 H new ATOM 481 N ARG 1 34 5.141 1.561 7.050 1.00 0.00 N ATOM 482 CA ARG 1 34 5.225 2.147 5.723 1.00 0.00 C ATOM 483 C ARG 1 34 3.975 1.800 4.910 1.00 0.00 C ATOM 484 O ARG 1 34 3.558 2.571 4.047 1.00 0.00 O ATOM 485 CB ARG 1 34 6.464 1.649 4.978 1.00 0.00 C ATOM 486 CG ARG 1 34 7.634 1.438 5.941 1.00 0.00 C ATOM 487 CD ARG 1 34 8.928 2.022 5.371 1.00 0.00 C ATOM 488 NE ARG 1 34 9.810 2.468 6.471 1.00 0.00 N ATOM 489 CZ ARG 1 34 10.923 3.193 6.295 1.00 0.00 C ATOM 490 NH1 ARG 1 34 11.296 3.558 5.061 1.00 0.00 N ATOM 491 NH2 ARG 1 34 11.664 3.552 7.352 1.00 0.00 N ATOM 0 H ARG 1 34 5.622 0.667 7.153 1.00 0.00 H new ATOM 0 HA ARG 1 34 5.297 3.228 5.842 1.00 0.00 H new ATOM 0 HB2 ARG 1 34 6.235 0.713 4.468 1.00 0.00 H new ATOM 0 HB3 ARG 1 34 6.745 2.370 4.210 1.00 0.00 H new ATOM 0 HG2 ARG 1 34 7.410 1.908 6.899 1.00 0.00 H new ATOM 0 HG3 ARG 1 34 7.765 0.373 6.131 1.00 0.00 H new ATOM 0 HD2 ARG 1 34 9.439 1.273 4.765 1.00 0.00 H new ATOM 0 HD3 ARG 1 34 8.699 2.861 4.714 1.00 0.00 H new ATOM 0 HE ARG 1 34 9.555 2.207 7.424 1.00 0.00 H new ATOM 0 HH11 ARG 1 34 10.733 3.284 4.256 1.00 0.00 H new ATOM 0 HH12 ARG 1 34 12.143 4.110 4.927 1.00 0.00 H new ATOM 0 HH21 ARG 1 34 11.381 3.273 8.292 1.00 0.00 H new ATOM 0 HH22 ARG 1 34 12.511 4.104 7.217 1.00 0.00 H new ATOM 505 N GLY 1 35 3.414 0.639 5.214 1.00 0.00 N ATOM 506 CA GLY 1 35 2.222 0.180 4.521 1.00 0.00 C ATOM 507 C GLY 1 35 2.421 -1.229 3.960 1.00 0.00 C ATOM 508 O GLY 1 35 1.773 -1.611 2.987 1.00 0.00 O ATOM 0 H GLY 1 35 3.763 0.002 5.931 1.00 0.00 H new ATOM 0 HA2 GLY 1 35 1.374 0.186 5.206 1.00 0.00 H new ATOM 0 HA3 GLY 1 35 1.981 0.867 3.710 1.00 0.00 H new ATOM 512 N CYS 1 36 3.321 -1.963 4.599 1.00 0.00 N ATOM 513 CA CYS 1 36 3.613 -3.322 4.175 1.00 0.00 C ATOM 514 C CYS 1 36 3.312 -4.265 5.341 1.00 0.00 C ATOM 515 O CYS 1 36 2.854 -3.826 6.396 1.00 0.00 O ATOM 516 CB CYS 1 36 5.056 -3.463 3.686 1.00 0.00 C ATOM 517 SG CYS 1 36 5.530 -2.307 2.349 1.00 0.00 S ATOM 0 H CYS 1 36 3.857 -1.643 5.406 1.00 0.00 H new ATOM 0 HA CYS 1 36 2.982 -3.584 3.325 1.00 0.00 H new ATOM 0 HB2 CYS 1 36 5.727 -3.313 4.531 1.00 0.00 H new ATOM 0 HB3 CYS 1 36 5.208 -4.484 3.335 1.00 0.00 H new ATOM 522 N CYS 1 37 3.579 -5.542 5.113 1.00 0.00 N ATOM 523 CA CYS 1 37 3.342 -6.550 6.132 1.00 0.00 C ATOM 524 C CYS 1 37 4.633 -7.347 6.330 1.00 0.00 C ATOM 525 O CYS 1 37 5.200 -7.864 5.368 1.00 0.00 O ATOM 526 CB CYS 1 37 2.162 -7.455 5.769 1.00 0.00 C ATOM 527 SG CYS 1 37 1.437 -8.372 7.177 1.00 0.00 S ATOM 0 H CYS 1 37 3.957 -5.902 4.237 1.00 0.00 H new ATOM 0 HA CYS 1 37 3.069 -6.065 7.069 1.00 0.00 H new ATOM 0 HB2 CYS 1 37 1.383 -6.846 5.310 1.00 0.00 H new ATOM 0 HB3 CYS 1 37 2.490 -8.172 5.017 1.00 0.00 H new ATOM 0 HG CYS 1 37 0.447 -9.102 6.756 1.00 0.00 H new ATOM 532 N PHE 1 38 5.059 -7.422 7.582 1.00 0.00 N ATOM 533 CA PHE 1 38 6.272 -8.148 7.917 1.00 0.00 C ATOM 534 C PHE 1 38 6.002 -9.651 8.017 1.00 0.00 C ATOM 535 O PHE 1 38 5.074 -10.074 8.703 1.00 0.00 O ATOM 536 CB PHE 1 38 6.737 -7.634 9.282 1.00 0.00 C ATOM 537 CG PHE 1 38 8.127 -8.125 9.690 1.00 0.00 C ATOM 538 CD1 PHE 1 38 9.233 -7.421 9.324 1.00 0.00 C ATOM 539 CD2 PHE 1 38 8.258 -9.265 10.420 1.00 0.00 C ATOM 540 CE1 PHE 1 38 10.523 -7.878 9.703 1.00 0.00 C ATOM 541 CE2 PHE 1 38 9.549 -9.721 10.799 1.00 0.00 C ATOM 542 CZ PHE 1 38 10.653 -9.017 10.432 1.00 0.00 C ATOM 0 H PHE 1 38 4.586 -6.992 8.377 1.00 0.00 H new ATOM 0 HA PHE 1 38 7.025 -7.992 7.144 1.00 0.00 H new ATOM 0 HB2 PHE 1 38 6.737 -6.544 9.268 1.00 0.00 H new ATOM 0 HB3 PHE 1 38 6.017 -7.943 10.040 1.00 0.00 H new ATOM 0 HD1 PHE 1 38 9.129 -6.515 8.745 1.00 0.00 H new ATOM 0 HD2 PHE 1 38 7.381 -9.823 10.712 1.00 0.00 H new ATOM 0 HE1 PHE 1 38 11.401 -7.320 9.412 1.00 0.00 H new ATOM 0 HE2 PHE 1 38 9.654 -10.626 11.378 1.00 0.00 H new ATOM 0 HZ PHE 1 38 11.634 -9.364 10.720 1.00 0.00 H new ATOM 552 N ASP 1 39 6.832 -10.415 7.321 1.00 0.00 N ATOM 553 CA ASP 1 39 6.694 -11.862 7.323 1.00 0.00 C ATOM 554 C ASP 1 39 7.112 -12.408 8.689 1.00 0.00 C ATOM 555 O ASP 1 39 6.335 -12.369 9.641 1.00 0.00 O ATOM 556 CB ASP 1 39 7.594 -12.501 6.264 1.00 0.00 C ATOM 557 CG ASP 1 39 7.736 -14.021 6.367 1.00 0.00 C ATOM 558 OD1 ASP 1 39 6.682 -14.692 6.349 1.00 0.00 O ATOM 559 OD2 ASP 1 39 8.896 -14.477 6.464 1.00 0.00 O ATOM 0 H ASP 1 39 7.601 -10.060 6.753 1.00 0.00 H new ATOM 0 HA ASP 1 39 5.653 -12.102 7.106 1.00 0.00 H new ATOM 0 HB2 ASP 1 39 7.201 -12.254 5.278 1.00 0.00 H new ATOM 0 HB3 ASP 1 39 8.585 -12.053 6.333 1.00 0.00 H new ATOM 564 N SER 1 40 8.339 -12.906 8.743 1.00 0.00 N ATOM 565 CA SER 1 40 8.869 -13.459 9.978 1.00 0.00 C ATOM 566 C SER 1 40 8.595 -14.963 10.036 1.00 0.00 C ATOM 567 O SER 1 40 9.103 -15.657 10.916 1.00 0.00 O ATOM 568 CB SER 1 40 8.266 -12.761 11.197 1.00 0.00 C ATOM 569 OG SER 1 40 9.150 -12.781 12.315 1.00 0.00 O ATOM 0 H SER 1 40 8.981 -12.938 7.951 1.00 0.00 H new ATOM 0 HA SER 1 40 9.946 -13.291 9.995 1.00 0.00 H new ATOM 0 HB2 SER 1 40 8.027 -11.729 10.942 1.00 0.00 H new ATOM 0 HB3 SER 1 40 7.329 -13.248 11.467 1.00 0.00 H new ATOM 0 HG SER 1 40 8.729 -12.324 13.073 1.00 0.00 H new ATOM 575 N ARG 1 41 7.791 -15.424 9.088 1.00 0.00 N ATOM 576 CA ARG 1 41 7.443 -16.832 9.022 1.00 0.00 C ATOM 577 C ARG 1 41 8.431 -17.582 8.126 1.00 0.00 C ATOM 578 O ARG 1 41 9.037 -18.565 8.549 1.00 0.00 O ATOM 579 CB ARG 1 41 6.026 -17.025 8.478 1.00 0.00 C ATOM 580 CG ARG 1 41 5.054 -16.034 9.121 1.00 0.00 C ATOM 581 CD ARG 1 41 3.712 -16.703 9.429 1.00 0.00 C ATOM 582 NE ARG 1 41 3.745 -17.305 10.781 1.00 0.00 N ATOM 583 CZ ARG 1 41 2.717 -17.959 11.337 1.00 0.00 C ATOM 584 NH1 ARG 1 41 1.569 -18.101 10.661 1.00 0.00 N ATOM 585 NH2 ARG 1 41 2.837 -18.472 12.569 1.00 0.00 N ATOM 0 H ARG 1 41 7.371 -14.846 8.360 1.00 0.00 H new ATOM 0 HA ARG 1 41 7.489 -17.232 10.035 1.00 0.00 H new ATOM 0 HB2 ARG 1 41 6.026 -16.890 7.396 1.00 0.00 H new ATOM 0 HB3 ARG 1 41 5.693 -18.045 8.672 1.00 0.00 H new ATOM 0 HG2 ARG 1 41 5.487 -15.639 10.040 1.00 0.00 H new ATOM 0 HG3 ARG 1 41 4.897 -15.187 8.453 1.00 0.00 H new ATOM 0 HD2 ARG 1 41 2.908 -15.969 9.368 1.00 0.00 H new ATOM 0 HD3 ARG 1 41 3.500 -17.471 8.685 1.00 0.00 H new ATOM 0 HE ARG 1 41 4.604 -17.216 11.323 1.00 0.00 H new ATOM 0 HH11 ARG 1 41 1.478 -17.711 9.723 1.00 0.00 H new ATOM 0 HH12 ARG 1 41 0.786 -18.599 11.084 1.00 0.00 H new ATOM 0 HH21 ARG 1 41 3.711 -18.364 13.083 1.00 0.00 H new ATOM 0 HH22 ARG 1 41 2.054 -18.970 12.993 1.00 0.00 H new ATOM 599 N ILE 1 42 8.564 -17.088 6.904 1.00 0.00 N ATOM 600 CA ILE 1 42 9.468 -17.699 5.944 1.00 0.00 C ATOM 601 C ILE 1 42 10.554 -16.691 5.561 1.00 0.00 C ATOM 602 O ILE 1 42 10.252 -15.601 5.078 1.00 0.00 O ATOM 603 CB ILE 1 42 8.689 -18.247 4.747 1.00 0.00 C ATOM 604 CG1 ILE 1 42 7.283 -18.685 5.162 1.00 0.00 C ATOM 605 CG2 ILE 1 42 9.461 -19.377 4.061 1.00 0.00 C ATOM 606 CD1 ILE 1 42 6.644 -19.567 4.088 1.00 0.00 C ATOM 0 H ILE 1 42 8.061 -16.272 6.556 1.00 0.00 H new ATOM 0 HA ILE 1 42 9.971 -18.558 6.388 1.00 0.00 H new ATOM 0 HB ILE 1 42 8.575 -17.445 4.018 1.00 0.00 H new ATOM 0 HG12 ILE 1 42 7.332 -19.231 6.104 1.00 0.00 H new ATOM 0 HG13 ILE 1 42 6.661 -17.807 5.334 1.00 0.00 H new ATOM 0 HG21 ILE 1 42 8.885 -19.749 3.213 1.00 0.00 H new ATOM 0 HG22 ILE 1 42 10.422 -19.000 3.710 1.00 0.00 H new ATOM 0 HG23 ILE 1 42 9.627 -20.188 4.771 1.00 0.00 H new ATOM 0 HD11 ILE 1 42 5.645 -19.864 4.408 1.00 0.00 H new ATOM 0 HD12 ILE 1 42 6.575 -19.010 3.154 1.00 0.00 H new ATOM 0 HD13 ILE 1 42 7.256 -20.456 3.936 1.00 0.00 H new ATOM 618 N PRO 1 43 11.829 -17.102 5.797 1.00 0.00 N ATOM 619 CA PRO 1 43 12.961 -16.248 5.483 1.00 0.00 C ATOM 620 C PRO 1 43 13.217 -16.210 3.974 1.00 0.00 C ATOM 621 O PRO 1 43 13.968 -15.365 3.490 1.00 0.00 O ATOM 622 CB PRO 1 43 14.125 -16.832 6.267 1.00 0.00 C ATOM 623 CG PRO 1 43 13.717 -18.253 6.622 1.00 0.00 C ATOM 624 CD PRO 1 43 12.225 -18.386 6.368 1.00 0.00 C ATOM 0 HA PRO 1 43 12.792 -15.208 5.762 1.00 0.00 H new ATOM 0 HB2 PRO 1 43 15.039 -16.825 5.673 1.00 0.00 H new ATOM 0 HB3 PRO 1 43 14.324 -16.247 7.165 1.00 0.00 H new ATOM 0 HG2 PRO 1 43 14.272 -18.972 6.019 1.00 0.00 H new ATOM 0 HG3 PRO 1 43 13.947 -18.467 7.666 1.00 0.00 H new ATOM 0 HD2 PRO 1 43 12.012 -19.206 5.683 1.00 0.00 H new ATOM 0 HD3 PRO 1 43 11.683 -18.593 7.291 1.00 0.00 H new ATOM 632 N GLY 1 44 12.578 -17.135 3.275 1.00 0.00 N ATOM 633 CA GLY 1 44 12.725 -17.218 1.832 1.00 0.00 C ATOM 634 C GLY 1 44 11.685 -16.348 1.123 1.00 0.00 C ATOM 635 O GLY 1 44 11.735 -16.183 -0.095 1.00 0.00 O ATOM 0 H GLY 1 44 11.956 -17.834 3.681 1.00 0.00 H new ATOM 0 HA2 GLY 1 44 13.727 -16.898 1.546 1.00 0.00 H new ATOM 0 HA3 GLY 1 44 12.617 -18.254 1.511 1.00 0.00 H new ATOM 639 N VAL 1 45 10.767 -15.815 1.915 1.00 0.00 N ATOM 640 CA VAL 1 45 9.717 -14.967 1.379 1.00 0.00 C ATOM 641 C VAL 1 45 10.004 -13.511 1.751 1.00 0.00 C ATOM 642 O VAL 1 45 10.903 -13.234 2.542 1.00 0.00 O ATOM 643 CB VAL 1 45 8.351 -15.451 1.869 1.00 0.00 C ATOM 644 CG1 VAL 1 45 7.767 -14.488 2.905 1.00 0.00 C ATOM 645 CG2 VAL 1 45 7.386 -15.650 0.699 1.00 0.00 C ATOM 0 H VAL 1 45 10.729 -15.954 2.925 1.00 0.00 H new ATOM 0 HA VAL 1 45 9.696 -15.027 0.291 1.00 0.00 H new ATOM 0 HB VAL 1 45 8.493 -16.417 2.353 1.00 0.00 H new ATOM 0 HG11 VAL 1 45 6.796 -14.856 3.237 1.00 0.00 H new ATOM 0 HG12 VAL 1 45 8.441 -14.420 3.759 1.00 0.00 H new ATOM 0 HG13 VAL 1 45 7.648 -13.501 2.458 1.00 0.00 H new ATOM 0 HG21 VAL 1 45 6.423 -15.994 1.076 1.00 0.00 H new ATOM 0 HG22 VAL 1 45 7.253 -14.705 0.173 1.00 0.00 H new ATOM 0 HG23 VAL 1 45 7.794 -16.393 0.013 1.00 0.00 H new ATOM 655 N PRO 1 46 9.200 -12.595 1.147 1.00 0.00 N ATOM 656 CA PRO 1 46 9.358 -11.174 1.407 1.00 0.00 C ATOM 657 C PRO 1 46 8.804 -10.803 2.784 1.00 0.00 C ATOM 658 O PRO 1 46 7.609 -10.952 3.036 1.00 0.00 O ATOM 659 CB PRO 1 46 8.629 -10.482 0.267 1.00 0.00 C ATOM 660 CG PRO 1 46 7.700 -11.527 -0.329 1.00 0.00 C ATOM 661 CD PRO 1 46 8.124 -12.886 0.204 1.00 0.00 C ATOM 0 HA PRO 1 46 10.403 -10.866 1.439 1.00 0.00 H new ATOM 0 HB2 PRO 1 46 8.067 -9.621 0.628 1.00 0.00 H new ATOM 0 HB3 PRO 1 46 9.332 -10.113 -0.480 1.00 0.00 H new ATOM 0 HG2 PRO 1 46 6.665 -11.317 -0.058 1.00 0.00 H new ATOM 0 HG3 PRO 1 46 7.755 -11.510 -1.418 1.00 0.00 H new ATOM 0 HD2 PRO 1 46 7.295 -13.395 0.695 1.00 0.00 H new ATOM 0 HD3 PRO 1 46 8.467 -13.537 -0.600 1.00 0.00 H new ATOM 669 N TRP 1 47 9.698 -10.328 3.638 1.00 0.00 N ATOM 670 CA TRP 1 47 9.314 -9.935 4.983 1.00 0.00 C ATOM 671 C TRP 1 47 8.828 -8.485 4.931 1.00 0.00 C ATOM 672 O TRP 1 47 8.967 -7.744 5.903 1.00 0.00 O ATOM 673 CB TRP 1 47 10.467 -10.144 5.966 1.00 0.00 C ATOM 674 CG TRP 1 47 11.592 -11.029 5.427 1.00 0.00 C ATOM 675 CD1 TRP 1 47 11.627 -12.367 5.357 1.00 0.00 C ATOM 676 CD2 TRP 1 47 12.851 -10.583 4.881 1.00 0.00 C ATOM 677 NE1 TRP 1 47 12.813 -12.814 4.808 1.00 0.00 N ATOM 678 CE2 TRP 1 47 13.581 -11.694 4.509 1.00 0.00 C ATOM 679 CE3 TRP 1 47 13.358 -9.283 4.707 1.00 0.00 C ATOM 680 CZ2 TRP 1 47 14.858 -11.619 3.941 1.00 0.00 C ATOM 681 CZ3 TRP 1 47 14.636 -9.224 4.138 1.00 0.00 C ATOM 682 CH2 TRP 1 47 15.382 -10.334 3.759 1.00 0.00 C ATOM 0 H TRP 1 47 10.688 -10.206 3.425 1.00 0.00 H new ATOM 0 HA TRP 1 47 8.502 -10.562 5.351 1.00 0.00 H new ATOM 0 HB2 TRP 1 47 10.881 -9.173 6.236 1.00 0.00 H new ATOM 0 HB3 TRP 1 47 10.075 -10.589 6.880 1.00 0.00 H new ATOM 0 HD1 TRP 1 47 10.828 -13.014 5.688 1.00 0.00 H new ATOM 0 HE1 TRP 1 47 13.077 -13.787 4.651 1.00 0.00 H new ATOM 0 HE3 TRP 1 47 12.805 -8.399 4.990 1.00 0.00 H new ATOM 0 HZ2 TRP 1 47 15.409 -12.504 3.659 1.00 0.00 H new ATOM 0 HZ3 TRP 1 47 15.072 -8.248 3.983 1.00 0.00 H new ATOM 0 HH2 TRP 1 47 16.363 -10.205 3.326 1.00 0.00 H new ATOM 693 N CYS 1 48 8.267 -8.123 3.786 1.00 0.00 N ATOM 694 CA CYS 1 48 7.760 -6.775 3.595 1.00 0.00 C ATOM 695 C CYS 1 48 6.924 -6.754 2.313 1.00 0.00 C ATOM 696 O CYS 1 48 7.468 -6.637 1.215 1.00 0.00 O ATOM 697 CB CYS 1 48 8.891 -5.744 3.556 1.00 0.00 C ATOM 698 SG CYS 1 48 8.359 -4.011 3.808 1.00 0.00 S ATOM 0 H CYS 1 48 8.153 -8.740 2.982 1.00 0.00 H new ATOM 0 HA CYS 1 48 7.133 -6.496 4.442 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 9.623 -6.000 4.322 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 9.398 -5.817 2.594 1.00 0.00 H new ATOM 703 N PHE 1 49 5.617 -6.867 2.495 1.00 0.00 N ATOM 704 CA PHE 1 49 4.701 -6.863 1.367 1.00 0.00 C ATOM 705 C PHE 1 49 3.431 -6.075 1.695 1.00 0.00 C ATOM 706 O PHE 1 49 3.336 -5.459 2.755 1.00 0.00 O ATOM 707 CB PHE 1 49 4.326 -8.320 1.090 1.00 0.00 C ATOM 708 CG PHE 1 49 4.305 -9.205 2.337 1.00 0.00 C ATOM 709 CD1 PHE 1 49 5.457 -9.449 3.017 1.00 0.00 C ATOM 710 CD2 PHE 1 49 3.134 -9.749 2.766 1.00 0.00 C ATOM 711 CE1 PHE 1 49 5.437 -10.272 4.175 1.00 0.00 C ATOM 712 CE2 PHE 1 49 3.114 -10.571 3.924 1.00 0.00 C ATOM 713 CZ PHE 1 49 4.267 -10.815 4.604 1.00 0.00 C ATOM 0 H PHE 1 49 5.170 -6.962 3.407 1.00 0.00 H new ATOM 0 HA PHE 1 49 5.175 -6.394 0.505 1.00 0.00 H new ATOM 0 HB2 PHE 1 49 3.343 -8.348 0.620 1.00 0.00 H new ATOM 0 HB3 PHE 1 49 5.034 -8.737 0.373 1.00 0.00 H new ATOM 0 HD1 PHE 1 49 6.387 -9.017 2.677 1.00 0.00 H new ATOM 0 HD2 PHE 1 49 2.219 -9.556 2.226 1.00 0.00 H new ATOM 0 HE1 PHE 1 49 6.352 -10.466 4.715 1.00 0.00 H new ATOM 0 HE2 PHE 1 49 2.184 -11.002 4.265 1.00 0.00 H new ATOM 0 HZ PHE 1 49 4.253 -11.440 5.485 1.00 0.00 H new ATOM 723 N LYS 1 50 2.487 -6.122 0.767 1.00 0.00 N ATOM 724 CA LYS 1 50 1.228 -5.421 0.944 1.00 0.00 C ATOM 725 C LYS 1 50 0.073 -6.416 0.821 1.00 0.00 C ATOM 726 O LYS 1 50 -0.668 -6.396 -0.161 1.00 0.00 O ATOM 727 CB LYS 1 50 1.129 -4.243 -0.028 1.00 0.00 C ATOM 728 CG LYS 1 50 2.138 -4.387 -1.169 1.00 0.00 C ATOM 729 CD LYS 1 50 3.466 -3.715 -0.814 1.00 0.00 C ATOM 730 CE LYS 1 50 3.242 -2.288 -0.312 1.00 0.00 C ATOM 731 NZ LYS 1 50 2.168 -1.628 -1.086 1.00 0.00 N ATOM 0 H LYS 1 50 2.569 -6.635 -0.111 1.00 0.00 H new ATOM 0 HA LYS 1 50 1.172 -4.987 1.942 1.00 0.00 H new ATOM 0 HB2 LYS 1 50 0.120 -4.187 -0.435 1.00 0.00 H new ATOM 0 HB3 LYS 1 50 1.309 -3.310 0.506 1.00 0.00 H new ATOM 0 HG2 LYS 1 50 2.306 -5.443 -1.380 1.00 0.00 H new ATOM 0 HG3 LYS 1 50 1.732 -3.941 -2.077 1.00 0.00 H new ATOM 0 HD2 LYS 1 50 3.979 -4.297 -0.048 1.00 0.00 H new ATOM 0 HD3 LYS 1 50 4.115 -3.698 -1.690 1.00 0.00 H new ATOM 0 HE2 LYS 1 50 2.978 -2.306 0.745 1.00 0.00 H new ATOM 0 HE3 LYS 1 50 4.166 -1.716 -0.400 1.00 0.00 H new ATOM 0 HZ1 LYS 1 50 2.373 -0.612 -1.167 1.00 0.00 H new ATOM 0 HZ2 LYS 1 50 2.116 -2.048 -2.036 1.00 0.00 H new ATOM 0 HZ3 LYS 1 50 1.258 -1.760 -0.600 1.00 0.00 H new ATOM 745 N PRO 1 51 -0.049 -7.287 1.859 1.00 0.00 N ATOM 746 CA PRO 1 51 -1.101 -8.288 1.877 1.00 0.00 C ATOM 747 C PRO 1 51 -2.455 -7.655 2.205 1.00 0.00 C ATOM 748 O PRO 1 51 -3.169 -7.210 1.308 1.00 0.00 O ATOM 749 CB PRO 1 51 -0.656 -9.307 2.914 1.00 0.00 C ATOM 750 CG PRO 1 51 0.389 -8.606 3.766 1.00 0.00 C ATOM 751 CD PRO 1 51 0.809 -7.339 3.039 1.00 0.00 C ATOM 0 HA PRO 1 51 -1.246 -8.763 0.907 1.00 0.00 H new ATOM 0 HB2 PRO 1 51 -1.498 -9.638 3.522 1.00 0.00 H new ATOM 0 HB3 PRO 1 51 -0.240 -10.194 2.436 1.00 0.00 H new ATOM 0 HG2 PRO 1 51 -0.018 -8.366 4.748 1.00 0.00 H new ATOM 0 HG3 PRO 1 51 1.249 -9.256 3.928 1.00 0.00 H new ATOM 0 HD2 PRO 1 51 0.673 -6.458 3.667 1.00 0.00 H new ATOM 0 HD3 PRO 1 51 1.863 -7.372 2.761 1.00 0.00 H new ATOM 759 N LEU 1 52 -2.768 -7.636 3.492 1.00 0.00 N ATOM 760 CA LEU 1 52 -4.023 -7.064 3.948 1.00 0.00 C ATOM 761 C LEU 1 52 -3.841 -5.563 4.181 1.00 0.00 C ATOM 762 O LEU 1 52 -4.667 -4.929 4.835 1.00 0.00 O ATOM 763 CB LEU 1 52 -4.541 -7.819 5.176 1.00 0.00 C ATOM 764 CG LEU 1 52 -3.974 -7.372 6.525 1.00 0.00 C ATOM 765 CD1 LEU 1 52 -5.097 -7.100 7.528 1.00 0.00 C ATOM 766 CD2 LEU 1 52 -2.963 -8.389 7.059 1.00 0.00 C ATOM 0 H LEU 1 52 -2.174 -8.008 4.233 1.00 0.00 H new ATOM 0 HA LEU 1 52 -4.792 -7.177 3.184 1.00 0.00 H new ATOM 0 HB2 LEU 1 52 -5.626 -7.719 5.209 1.00 0.00 H new ATOM 0 HB3 LEU 1 52 -4.323 -8.879 5.045 1.00 0.00 H new ATOM 0 HG LEU 1 52 -3.439 -6.434 6.377 1.00 0.00 H new ATOM 0 HD11 LEU 1 52 -4.667 -6.784 8.479 1.00 0.00 H new ATOM 0 HD12 LEU 1 52 -5.746 -6.313 7.143 1.00 0.00 H new ATOM 0 HD13 LEU 1 52 -5.679 -8.009 7.678 1.00 0.00 H new ATOM 0 HD21 LEU 1 52 -2.575 -8.047 8.019 1.00 0.00 H new ATOM 0 HD22 LEU 1 52 -3.452 -9.355 7.188 1.00 0.00 H new ATOM 0 HD23 LEU 1 52 -2.141 -8.491 6.351 1.00 0.00 H new ATOM 778 N GLN 1 53 -2.755 -5.039 3.633 1.00 0.00 N ATOM 779 CA GLN 1 53 -2.454 -3.624 3.772 1.00 0.00 C ATOM 780 C GLN 1 53 -3.682 -2.783 3.419 1.00 0.00 C ATOM 781 O GLN 1 53 -3.805 -1.642 3.861 1.00 0.00 O ATOM 782 CB GLN 1 53 -1.253 -3.232 2.909 1.00 0.00 C ATOM 783 CG GLN 1 53 0.051 -3.756 3.512 1.00 0.00 C ATOM 784 CD GLN 1 53 0.259 -3.211 4.927 1.00 0.00 C ATOM 785 OE1 GLN 1 53 0.072 -1.898 5.034 1.00 0.00 O flip ATOM 786 NE2 GLN 1 53 0.567 -3.934 5.860 1.00 0.00 N flip ATOM 0 H GLN 1 53 -2.072 -5.569 3.092 1.00 0.00 H new ATOM 0 HA GLN 1 53 -2.191 -3.428 4.812 1.00 0.00 H new ATOM 0 HB2 GLN 1 53 -1.378 -3.631 1.903 1.00 0.00 H new ATOM 0 HB3 GLN 1 53 -1.205 -2.147 2.818 1.00 0.00 H new ATOM 0 HG2 GLN 1 53 0.032 -4.846 3.537 1.00 0.00 H new ATOM 0 HG3 GLN 1 53 0.890 -3.466 2.880 1.00 0.00 H new ATOM 0 HE21 GLN 1 53 0.695 -4.935 5.709 1.00 0.00 H new ATOM 0 HE22 GLN 1 53 0.696 -3.538 6.791 1.00 0.00 H new ATOM 795 N GLU 1 54 -4.561 -3.380 2.626 1.00 0.00 N ATOM 796 CA GLU 1 54 -5.775 -2.699 2.209 1.00 0.00 C ATOM 797 C GLU 1 54 -6.372 -1.914 3.379 1.00 0.00 C ATOM 798 O GLU 1 54 -7.086 -0.934 3.172 1.00 0.00 O ATOM 799 CB GLU 1 54 -6.791 -3.692 1.640 1.00 0.00 C ATOM 800 CG GLU 1 54 -7.781 -4.141 2.716 1.00 0.00 C ATOM 801 CD GLU 1 54 -8.991 -3.207 2.772 1.00 0.00 C ATOM 802 OE1 GLU 1 54 -9.784 -3.246 1.806 1.00 0.00 O ATOM 803 OE2 GLU 1 54 -9.097 -2.475 3.780 1.00 0.00 O ATOM 0 H GLU 1 54 -4.456 -4.327 2.262 1.00 0.00 H new ATOM 0 HA GLU 1 54 -5.520 -1.995 1.417 1.00 0.00 H new ATOM 0 HB2 GLU 1 54 -7.331 -3.231 0.813 1.00 0.00 H new ATOM 0 HB3 GLU 1 54 -6.270 -4.560 1.236 1.00 0.00 H new ATOM 0 HG2 GLU 1 54 -8.112 -5.159 2.509 1.00 0.00 H new ATOM 0 HG3 GLU 1 54 -7.285 -4.158 3.687 1.00 0.00 H new ATOM 810 N ALA 1 55 -6.058 -2.374 4.581 1.00 0.00 N ATOM 811 CA ALA 1 55 -6.555 -1.727 5.783 1.00 0.00 C ATOM 812 C ALA 1 55 -6.136 -0.255 5.774 1.00 0.00 C ATOM 813 O ALA 1 55 -6.894 0.607 5.334 1.00 0.00 O ATOM 814 CB ALA 1 55 -6.038 -2.473 7.016 1.00 0.00 C ATOM 0 H ALA 1 55 -5.465 -3.187 4.748 1.00 0.00 H new ATOM 0 HA ALA 1 55 -7.644 -1.760 5.815 1.00 0.00 H new ATOM 0 HB1 ALA 1 55 -6.411 -1.988 7.918 1.00 0.00 H new ATOM 0 HB2 ALA 1 55 -6.386 -3.505 6.989 1.00 0.00 H new ATOM 0 HB3 ALA 1 55 -4.948 -2.458 7.020 1.00 0.00 H new ATOM 820 N GLU 1 56 -4.931 -0.013 6.268 1.00 0.00 N ATOM 821 CA GLU 1 56 -4.402 1.339 6.322 1.00 0.00 C ATOM 822 C GLU 1 56 -3.891 1.766 4.945 1.00 0.00 C ATOM 823 O GLU 1 56 -3.350 2.859 4.791 1.00 0.00 O ATOM 824 CB GLU 1 56 -3.298 1.454 7.376 1.00 0.00 C ATOM 825 CG GLU 1 56 -3.889 1.732 8.760 1.00 0.00 C ATOM 826 CD GLU 1 56 -2.787 2.053 9.772 1.00 0.00 C ATOM 827 OE1 GLU 1 56 -2.108 3.081 9.566 1.00 0.00 O ATOM 828 OE2 GLU 1 56 -2.648 1.260 10.729 1.00 0.00 O ATOM 0 H GLU 1 56 -4.306 -0.731 6.635 1.00 0.00 H new ATOM 0 HA GLU 1 56 -5.209 2.012 6.612 1.00 0.00 H new ATOM 0 HB2 GLU 1 56 -2.718 0.531 7.403 1.00 0.00 H new ATOM 0 HB3 GLU 1 56 -2.611 2.255 7.102 1.00 0.00 H new ATOM 0 HG2 GLU 1 56 -4.587 2.567 8.700 1.00 0.00 H new ATOM 0 HG3 GLU 1 56 -4.457 0.865 9.098 1.00 0.00 H new ATOM 835 N CYS 1 57 -4.081 0.880 3.977 1.00 0.00 N ATOM 836 CA CYS 1 57 -3.647 1.151 2.618 1.00 0.00 C ATOM 837 C CYS 1 57 -4.858 1.621 1.811 1.00 0.00 C ATOM 838 O CYS 1 57 -4.975 2.803 1.493 1.00 0.00 O ATOM 839 CB CYS 1 57 -2.977 -0.070 1.984 1.00 0.00 C ATOM 840 SG CYS 1 57 -2.105 0.263 0.411 1.00 0.00 S ATOM 0 H CYS 1 57 -4.530 -0.026 4.108 1.00 0.00 H new ATOM 0 HA CYS 1 57 -2.890 1.936 2.625 1.00 0.00 H new ATOM 0 HB2 CYS 1 57 -2.265 -0.487 2.696 1.00 0.00 H new ATOM 0 HB3 CYS 1 57 -3.736 -0.833 1.808 1.00 0.00 H new ATOM 845 N THR 1 58 -5.729 0.670 1.504 1.00 0.00 N ATOM 846 CA THR 1 58 -6.928 0.973 0.740 1.00 0.00 C ATOM 847 C THR 1 58 -7.605 2.230 1.286 1.00 0.00 C ATOM 848 O THR 1 58 -8.100 3.056 0.521 1.00 0.00 O ATOM 849 CB THR 1 58 -7.828 -0.264 0.766 1.00 0.00 C ATOM 850 OG1 THR 1 58 -8.393 -0.310 -0.542 1.00 0.00 O ATOM 851 CG2 THR 1 58 -9.037 -0.088 1.687 1.00 0.00 C ATOM 0 H THR 1 58 -5.628 -0.310 1.770 1.00 0.00 H new ATOM 0 HA THR 1 58 -6.690 1.198 -0.300 1.00 0.00 H new ATOM 0 HB THR 1 58 -7.248 -1.128 1.089 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -8.990 -1.084 -0.614 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -9.643 -0.994 1.669 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -8.695 0.100 2.705 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -9.636 0.756 1.344 1.00 0.00 H new ATOM 859 N PHE 1 59 -7.606 2.337 2.607 1.00 0.00 N ATOM 860 CA PHE 1 59 -8.215 3.480 3.266 1.00 0.00 C ATOM 861 C PHE 1 59 -8.043 4.750 2.430 1.00 0.00 C ATOM 862 O PHE 1 59 -8.293 5.853 2.913 1.00 0.00 O ATOM 863 CB PHE 1 59 -7.496 3.662 4.603 1.00 0.00 C ATOM 864 CG PHE 1 59 -8.425 4.008 5.768 1.00 0.00 C ATOM 865 CD1 PHE 1 59 -9.117 3.022 6.400 1.00 0.00 C ATOM 866 CD2 PHE 1 59 -8.558 5.300 6.172 1.00 0.00 C ATOM 867 CE1 PHE 1 59 -9.981 3.344 7.482 1.00 0.00 C ATOM 868 CE2 PHE 1 59 -9.421 5.620 7.253 1.00 0.00 C ATOM 869 CZ PHE 1 59 -10.114 4.635 7.885 1.00 0.00 C ATOM 0 H PHE 1 59 -7.194 1.650 3.239 1.00 0.00 H new ATOM 0 HA PHE 1 59 -9.283 3.307 3.400 1.00 0.00 H new ATOM 0 HB2 PHE 1 59 -6.957 2.745 4.842 1.00 0.00 H new ATOM 0 HB3 PHE 1 59 -6.752 4.451 4.499 1.00 0.00 H new ATOM 0 HD1 PHE 1 59 -9.010 1.996 6.080 1.00 0.00 H new ATOM 0 HD2 PHE 1 59 -8.007 6.082 5.671 1.00 0.00 H new ATOM 0 HE1 PHE 1 59 -10.532 2.562 7.984 1.00 0.00 H new ATOM 0 HE2 PHE 1 59 -9.527 6.646 7.574 1.00 0.00 H new ATOM 0 HZ PHE 1 59 -10.770 4.879 8.707 1.00 0.00 H new ATOM 1107 N ASP 2 17 -7.598 14.507 1.254 1.00 0.00 N ATOM 1108 CA ASP 2 17 -8.266 13.371 1.867 1.00 0.00 C ATOM 1109 C ASP 2 17 -7.347 12.149 1.800 1.00 0.00 C ATOM 1110 O ASP 2 17 -7.782 11.027 2.056 1.00 0.00 O ATOM 1111 CB ASP 2 17 -9.561 13.030 1.129 1.00 0.00 C ATOM 1112 CG ASP 2 17 -10.549 12.169 1.919 1.00 0.00 C ATOM 1113 OD1 ASP 2 17 -10.340 12.048 3.146 1.00 0.00 O ATOM 1114 OD2 ASP 2 17 -11.491 11.653 1.280 1.00 0.00 O ATOM 0 HA ASP 2 17 -8.498 13.632 2.899 1.00 0.00 H new ATOM 0 HB2 ASP 2 17 -10.056 13.959 0.848 1.00 0.00 H new ATOM 0 HB3 ASP 2 17 -9.309 12.511 0.204 1.00 0.00 H new ATOM 1119 N ARG 2 18 -6.095 12.408 1.456 1.00 0.00 N ATOM 1120 CA ARG 2 18 -5.112 11.343 1.353 1.00 0.00 C ATOM 1121 C ARG 2 18 -4.384 11.162 2.687 1.00 0.00 C ATOM 1122 O ARG 2 18 -4.580 11.942 3.616 1.00 0.00 O ATOM 1123 CB ARG 2 18 -4.087 11.643 0.257 1.00 0.00 C ATOM 1124 CG ARG 2 18 -4.778 12.096 -1.030 1.00 0.00 C ATOM 1125 CD ARG 2 18 -3.964 13.179 -1.739 1.00 0.00 C ATOM 1126 NE ARG 2 18 -4.464 13.368 -3.120 1.00 0.00 N ATOM 1127 CZ ARG 2 18 -3.726 13.856 -4.126 1.00 0.00 C ATOM 1128 NH1 ARG 2 18 -2.451 14.209 -3.912 1.00 0.00 N ATOM 1129 NH2 ARG 2 18 -4.263 13.992 -5.345 1.00 0.00 N ATOM 0 H ARG 2 18 -5.738 13.340 1.245 1.00 0.00 H new ATOM 0 HA ARG 2 18 -5.642 10.426 1.097 1.00 0.00 H new ATOM 0 HB2 ARG 2 18 -3.401 12.418 0.598 1.00 0.00 H new ATOM 0 HB3 ARG 2 18 -3.489 10.753 0.059 1.00 0.00 H new ATOM 0 HG2 ARG 2 18 -4.911 11.243 -1.695 1.00 0.00 H new ATOM 0 HG3 ARG 2 18 -5.772 12.477 -0.798 1.00 0.00 H new ATOM 0 HD2 ARG 2 18 -4.033 14.117 -1.187 1.00 0.00 H new ATOM 0 HD3 ARG 2 18 -2.911 12.898 -1.760 1.00 0.00 H new ATOM 0 HE ARG 2 18 -5.431 13.110 -3.318 1.00 0.00 H new ATOM 0 HH11 ARG 2 18 -2.042 14.106 -2.983 1.00 0.00 H new ATOM 0 HH12 ARG 2 18 -1.889 14.581 -4.678 1.00 0.00 H new ATOM 0 HH21 ARG 2 18 -5.234 13.724 -5.507 1.00 0.00 H new ATOM 0 HH22 ARG 2 18 -3.701 14.364 -6.111 1.00 0.00 H new ATOM 1143 N VAL 2 19 -3.557 10.127 2.737 1.00 0.00 N ATOM 1144 CA VAL 2 19 -2.799 9.834 3.942 1.00 0.00 C ATOM 1145 C VAL 2 19 -1.343 10.258 3.738 1.00 0.00 C ATOM 1146 O VAL 2 19 -0.453 9.797 4.450 1.00 0.00 O ATOM 1147 CB VAL 2 19 -2.945 8.355 4.304 1.00 0.00 C ATOM 1148 CG1 VAL 2 19 -2.586 8.113 5.772 1.00 0.00 C ATOM 1149 CG2 VAL 2 19 -4.357 7.852 3.995 1.00 0.00 C ATOM 0 H VAL 2 19 -3.396 9.482 1.964 1.00 0.00 H new ATOM 0 HA VAL 2 19 -3.188 10.402 4.787 1.00 0.00 H new ATOM 0 HB VAL 2 19 -2.245 7.788 3.689 1.00 0.00 H new ATOM 0 HG11 VAL 2 19 -2.698 7.054 6.004 1.00 0.00 H new ATOM 0 HG12 VAL 2 19 -1.554 8.416 5.949 1.00 0.00 H new ATOM 0 HG13 VAL 2 19 -3.250 8.696 6.410 1.00 0.00 H new ATOM 0 HG21 VAL 2 19 -4.434 6.798 4.261 1.00 0.00 H new ATOM 0 HG22 VAL 2 19 -5.082 8.426 4.572 1.00 0.00 H new ATOM 0 HG23 VAL 2 19 -4.562 7.973 2.931 1.00 0.00 H new ATOM 1159 N ASP 2 20 -1.146 11.132 2.762 1.00 0.00 N ATOM 1160 CA ASP 2 20 0.187 11.624 2.456 1.00 0.00 C ATOM 1161 C ASP 2 20 1.209 10.520 2.733 1.00 0.00 C ATOM 1162 O ASP 2 20 1.785 10.461 3.819 1.00 0.00 O ATOM 1163 CB ASP 2 20 0.543 12.829 3.330 1.00 0.00 C ATOM 1164 CG ASP 2 20 2.040 13.029 3.574 1.00 0.00 C ATOM 1165 OD1 ASP 2 20 2.776 13.100 2.567 1.00 0.00 O ATOM 1166 OD2 ASP 2 20 2.415 13.107 4.764 1.00 0.00 O ATOM 0 H ASP 2 20 -1.887 11.512 2.173 1.00 0.00 H new ATOM 0 HA ASP 2 20 0.205 11.921 1.407 1.00 0.00 H new ATOM 0 HB2 ASP 2 20 0.143 13.729 2.863 1.00 0.00 H new ATOM 0 HB3 ASP 2 20 0.044 12.721 4.293 1.00 0.00 H new ATOM 1171 N CYS 2 21 1.404 9.674 1.733 1.00 0.00 N ATOM 1172 CA CYS 2 21 2.347 8.575 1.855 1.00 0.00 C ATOM 1173 C CYS 2 21 3.654 9.125 2.432 1.00 0.00 C ATOM 1174 O CYS 2 21 4.329 8.447 3.205 1.00 0.00 O ATOM 1175 CB CYS 2 21 2.568 7.867 0.517 1.00 0.00 C ATOM 1176 SG CYS 2 21 3.138 6.133 0.651 1.00 0.00 S ATOM 0 H CYS 2 21 0.925 9.727 0.834 1.00 0.00 H new ATOM 0 HA CYS 2 21 1.943 7.819 2.528 1.00 0.00 H new ATOM 0 HB2 CYS 2 21 1.635 7.885 -0.046 1.00 0.00 H new ATOM 0 HB3 CYS 2 21 3.300 8.432 -0.060 1.00 0.00 H new ATOM 1181 N GLY 2 22 3.969 10.348 2.034 1.00 0.00 N ATOM 1182 CA GLY 2 22 5.183 10.997 2.503 1.00 0.00 C ATOM 1183 C GLY 2 22 6.355 10.015 2.526 1.00 0.00 C ATOM 1184 O GLY 2 22 6.969 9.800 3.570 1.00 0.00 O ATOM 0 H GLY 2 22 3.406 10.907 1.393 1.00 0.00 H new ATOM 0 HA2 GLY 2 22 5.423 11.840 1.855 1.00 0.00 H new ATOM 0 HA3 GLY 2 22 5.021 11.400 3.503 1.00 0.00 H new ATOM 1188 N TYR 2 23 6.632 9.445 1.362 1.00 0.00 N ATOM 1189 CA TYR 2 23 7.721 8.491 1.236 1.00 0.00 C ATOM 1190 C TYR 2 23 9.021 9.192 0.841 1.00 0.00 C ATOM 1191 O TYR 2 23 9.000 10.182 0.111 1.00 0.00 O ATOM 1192 CB TYR 2 23 7.311 7.531 0.118 1.00 0.00 C ATOM 1193 CG TYR 2 23 6.527 6.309 0.601 1.00 0.00 C ATOM 1194 CD1 TYR 2 23 6.040 6.269 1.891 1.00 0.00 C ATOM 1195 CD2 TYR 2 23 6.307 5.249 -0.254 1.00 0.00 C ATOM 1196 CE1 TYR 2 23 5.301 5.119 2.346 1.00 0.00 C ATOM 1197 CE2 TYR 2 23 5.568 4.099 0.202 1.00 0.00 C ATOM 1198 CZ TYR 2 23 5.102 4.091 1.479 1.00 0.00 C ATOM 1199 OH TYR 2 23 4.404 3.006 1.908 1.00 0.00 O ATOM 0 H TYR 2 23 6.121 9.626 0.498 1.00 0.00 H new ATOM 0 HA TYR 2 23 7.896 7.980 2.183 1.00 0.00 H new ATOM 0 HB2 TYR 2 23 6.706 8.073 -0.609 1.00 0.00 H new ATOM 0 HB3 TYR 2 23 8.207 7.192 -0.402 1.00 0.00 H new ATOM 0 HD1 TYR 2 23 6.213 7.099 2.560 1.00 0.00 H new ATOM 0 HD2 TYR 2 23 6.688 5.281 -1.264 1.00 0.00 H new ATOM 0 HE1 TYR 2 23 4.914 5.075 3.353 1.00 0.00 H new ATOM 0 HE2 TYR 2 23 5.388 3.262 -0.456 1.00 0.00 H new ATOM 0 HH TYR 2 23 4.132 3.139 2.840 1.00 0.00 H new ATOM 1209 N PRO 2 24 10.152 8.636 1.353 1.00 0.00 N ATOM 1210 CA PRO 2 24 11.460 9.199 1.061 1.00 0.00 C ATOM 1211 C PRO 2 24 11.897 8.857 -0.366 1.00 0.00 C ATOM 1212 O PRO 2 24 12.950 9.304 -0.820 1.00 0.00 O ATOM 1213 CB PRO 2 24 12.383 8.617 2.120 1.00 0.00 C ATOM 1214 CG PRO 2 24 11.664 7.399 2.676 1.00 0.00 C ATOM 1215 CD PRO 2 24 10.216 7.464 2.220 1.00 0.00 C ATOM 0 HA PRO 2 24 11.468 10.288 1.099 1.00 0.00 H new ATOM 0 HB2 PRO 2 24 13.345 8.340 1.690 1.00 0.00 H new ATOM 0 HB3 PRO 2 24 12.583 9.345 2.906 1.00 0.00 H new ATOM 0 HG2 PRO 2 24 12.135 6.483 2.321 1.00 0.00 H new ATOM 0 HG3 PRO 2 24 11.721 7.386 3.764 1.00 0.00 H new ATOM 0 HD2 PRO 2 24 9.929 6.559 1.684 1.00 0.00 H new ATOM 0 HD3 PRO 2 24 9.538 7.561 3.068 1.00 0.00 H new ATOM 1223 N HIS 2 25 11.067 8.069 -1.032 1.00 0.00 N ATOM 1224 CA HIS 2 25 11.354 7.664 -2.397 1.00 0.00 C ATOM 1225 C HIS 2 25 10.200 8.080 -3.311 1.00 0.00 C ATOM 1226 O HIS 2 25 10.134 7.660 -4.465 1.00 0.00 O ATOM 1227 CB HIS 2 25 11.653 6.164 -2.467 1.00 0.00 C ATOM 1228 CG HIS 2 25 13.117 5.837 -2.644 1.00 0.00 C ATOM 1229 ND1 HIS 2 25 13.844 6.231 -3.754 1.00 0.00 N ATOM 1230 CD2 HIS 2 25 13.981 5.153 -1.840 1.00 0.00 C ATOM 1231 CE1 HIS 2 25 15.087 5.795 -3.614 1.00 0.00 C ATOM 1232 NE2 HIS 2 25 15.170 5.127 -2.428 1.00 0.00 N ATOM 0 H HIS 2 25 10.195 7.700 -0.652 1.00 0.00 H new ATOM 0 HA HIS 2 25 12.252 8.173 -2.749 1.00 0.00 H new ATOM 0 HB2 HIS 2 25 11.293 5.689 -1.554 1.00 0.00 H new ATOM 0 HB3 HIS 2 25 11.092 5.730 -3.295 1.00 0.00 H new ATOM 0 HD2 HIS 2 25 13.738 4.708 -0.886 1.00 0.00 H new ATOM 0 HE1 HIS 2 25 15.894 5.943 -4.317 1.00 0.00 H new ATOM 0 HE2 HIS 2 25 16.008 4.681 -2.055 1.00 0.00 H new ATOM 1241 N VAL 2 26 9.318 8.902 -2.759 1.00 0.00 N ATOM 1242 CA VAL 2 26 8.171 9.381 -3.510 1.00 0.00 C ATOM 1243 C VAL 2 26 8.606 9.727 -4.935 1.00 0.00 C ATOM 1244 O VAL 2 26 9.525 10.521 -5.132 1.00 0.00 O ATOM 1245 CB VAL 2 26 7.523 10.559 -2.780 1.00 0.00 C ATOM 1246 CG1 VAL 2 26 8.583 11.543 -2.278 1.00 0.00 C ATOM 1247 CG2 VAL 2 26 6.500 11.263 -3.675 1.00 0.00 C ATOM 0 H VAL 2 26 9.375 9.248 -1.801 1.00 0.00 H new ATOM 0 HA VAL 2 26 7.411 8.603 -3.583 1.00 0.00 H new ATOM 0 HB VAL 2 26 6.994 10.166 -1.912 1.00 0.00 H new ATOM 0 HG11 VAL 2 26 8.096 12.371 -1.763 1.00 0.00 H new ATOM 0 HG12 VAL 2 26 9.256 11.033 -1.589 1.00 0.00 H new ATOM 0 HG13 VAL 2 26 9.153 11.927 -3.124 1.00 0.00 H new ATOM 0 HG21 VAL 2 26 6.054 12.096 -3.132 1.00 0.00 H new ATOM 0 HG22 VAL 2 26 6.996 11.637 -4.570 1.00 0.00 H new ATOM 0 HG23 VAL 2 26 5.720 10.557 -3.961 1.00 0.00 H new ATOM 1257 N THR 2 27 7.926 9.114 -5.893 1.00 0.00 N ATOM 1258 CA THR 2 27 8.231 9.347 -7.294 1.00 0.00 C ATOM 1259 C THR 2 27 7.094 8.835 -8.180 1.00 0.00 C ATOM 1260 O THR 2 27 6.357 7.932 -7.789 1.00 0.00 O ATOM 1261 CB THR 2 27 9.580 8.693 -7.598 1.00 0.00 C ATOM 1262 OG1 THR 2 27 10.425 9.786 -7.951 1.00 0.00 O ATOM 1263 CG2 THR 2 27 9.541 7.831 -8.862 1.00 0.00 C ATOM 0 H THR 2 27 7.165 8.456 -5.726 1.00 0.00 H new ATOM 0 HA THR 2 27 8.313 10.412 -7.509 1.00 0.00 H new ATOM 0 HB THR 2 27 9.885 8.081 -6.749 1.00 0.00 H new ATOM 0 HG1 THR 2 27 10.461 10.425 -7.209 1.00 0.00 H new ATOM 0 HG21 THR 2 27 10.523 7.390 -9.032 1.00 0.00 H new ATOM 0 HG22 THR 2 27 8.804 7.038 -8.739 1.00 0.00 H new ATOM 0 HG23 THR 2 27 9.268 8.450 -9.716 1.00 0.00 H new ATOM 1271 N PRO 2 28 6.985 9.451 -9.388 1.00 0.00 N ATOM 1272 CA PRO 2 28 5.950 9.067 -10.332 1.00 0.00 C ATOM 1273 C PRO 2 28 6.288 7.734 -11.003 1.00 0.00 C ATOM 1274 O PRO 2 28 6.189 7.607 -12.224 1.00 0.00 O ATOM 1275 CB PRO 2 28 5.867 10.223 -11.316 1.00 0.00 C ATOM 1276 CG PRO 2 28 7.167 10.994 -11.163 1.00 0.00 C ATOM 1277 CD PRO 2 28 7.841 10.524 -9.884 1.00 0.00 C ATOM 0 HA PRO 2 28 4.985 8.898 -9.854 1.00 0.00 H new ATOM 0 HB2 PRO 2 28 5.746 9.859 -12.336 1.00 0.00 H new ATOM 0 HB3 PRO 2 28 5.008 10.859 -11.100 1.00 0.00 H new ATOM 0 HG2 PRO 2 28 7.816 10.822 -12.022 1.00 0.00 H new ATOM 0 HG3 PRO 2 28 6.972 12.066 -11.120 1.00 0.00 H new ATOM 0 HD2 PRO 2 28 8.852 10.167 -10.077 1.00 0.00 H new ATOM 0 HD3 PRO 2 28 7.922 11.333 -9.158 1.00 0.00 H new ATOM 1285 N LYS 2 29 6.676 6.773 -10.177 1.00 0.00 N ATOM 1286 CA LYS 2 29 7.028 5.455 -10.675 1.00 0.00 C ATOM 1287 C LYS 2 29 7.408 4.555 -9.499 1.00 0.00 C ATOM 1288 O LYS 2 29 7.371 3.331 -9.612 1.00 0.00 O ATOM 1289 CB LYS 2 29 8.116 5.560 -11.746 1.00 0.00 C ATOM 1290 CG LYS 2 29 8.068 4.361 -12.695 1.00 0.00 C ATOM 1291 CD LYS 2 29 8.417 4.779 -14.125 1.00 0.00 C ATOM 1292 CE LYS 2 29 8.231 3.614 -15.099 1.00 0.00 C ATOM 1293 NZ LYS 2 29 8.749 3.970 -16.439 1.00 0.00 N ATOM 0 H LYS 2 29 6.754 6.882 -9.166 1.00 0.00 H new ATOM 0 HA LYS 2 29 6.172 4.993 -11.167 1.00 0.00 H new ATOM 0 HB2 LYS 2 29 7.986 6.482 -12.312 1.00 0.00 H new ATOM 0 HB3 LYS 2 29 9.095 5.613 -11.271 1.00 0.00 H new ATOM 0 HG2 LYS 2 29 8.766 3.596 -12.355 1.00 0.00 H new ATOM 0 HG3 LYS 2 29 7.073 3.916 -12.675 1.00 0.00 H new ATOM 0 HD2 LYS 2 29 7.786 5.615 -14.427 1.00 0.00 H new ATOM 0 HD3 LYS 2 29 9.449 5.129 -14.164 1.00 0.00 H new ATOM 0 HE2 LYS 2 29 8.751 2.732 -14.724 1.00 0.00 H new ATOM 0 HE3 LYS 2 29 7.174 3.355 -15.168 1.00 0.00 H new ATOM 0 HZ1 LYS 2 29 8.615 3.168 -17.087 1.00 0.00 H new ATOM 0 HZ2 LYS 2 29 8.235 4.798 -16.801 1.00 0.00 H new ATOM 0 HZ3 LYS 2 29 9.762 4.194 -16.371 1.00 0.00 H new ATOM 1307 N GLU 2 30 7.766 5.196 -8.396 1.00 0.00 N ATOM 1308 CA GLU 2 30 8.154 4.468 -7.199 1.00 0.00 C ATOM 1309 C GLU 2 30 6.952 4.308 -6.264 1.00 0.00 C ATOM 1310 O GLU 2 30 6.722 3.228 -5.724 1.00 0.00 O ATOM 1311 CB GLU 2 30 9.314 5.164 -6.487 1.00 0.00 C ATOM 1312 CG GLU 2 30 10.625 4.404 -6.703 1.00 0.00 C ATOM 1313 CD GLU 2 30 11.748 5.356 -7.119 1.00 0.00 C ATOM 1314 OE1 GLU 2 30 11.635 6.552 -6.774 1.00 0.00 O ATOM 1315 OE2 GLU 2 30 12.693 4.867 -7.775 1.00 0.00 O ATOM 0 H GLU 2 30 7.796 6.212 -8.306 1.00 0.00 H new ATOM 0 HA GLU 2 30 8.496 3.476 -7.494 1.00 0.00 H new ATOM 0 HB2 GLU 2 30 9.415 6.183 -6.859 1.00 0.00 H new ATOM 0 HB3 GLU 2 30 9.101 5.234 -5.420 1.00 0.00 H new ATOM 0 HG2 GLU 2 30 10.904 3.885 -5.786 1.00 0.00 H new ATOM 0 HG3 GLU 2 30 10.486 3.642 -7.470 1.00 0.00 H new ATOM 1322 N CYS 2 31 6.220 5.400 -6.101 1.00 0.00 N ATOM 1323 CA CYS 2 31 5.049 5.394 -5.241 1.00 0.00 C ATOM 1324 C CYS 2 31 4.115 4.276 -5.708 1.00 0.00 C ATOM 1325 O CYS 2 31 3.755 3.396 -4.927 1.00 0.00 O ATOM 1326 CB CYS 2 31 4.349 6.755 -5.229 1.00 0.00 C ATOM 1327 SG CYS 2 31 5.190 8.042 -4.237 1.00 0.00 S ATOM 0 H CYS 2 31 6.415 6.295 -6.550 1.00 0.00 H new ATOM 0 HA CYS 2 31 5.352 5.206 -4.211 1.00 0.00 H new ATOM 0 HB2 CYS 2 31 4.257 7.110 -6.256 1.00 0.00 H new ATOM 0 HB3 CYS 2 31 3.337 6.624 -4.845 1.00 0.00 H new ATOM 1332 N ASN 2 32 3.749 4.346 -6.980 1.00 0.00 N ATOM 1333 CA ASN 2 32 2.865 3.350 -7.560 1.00 0.00 C ATOM 1334 C ASN 2 32 3.527 1.974 -7.474 1.00 0.00 C ATOM 1335 O ASN 2 32 2.872 0.953 -7.680 1.00 0.00 O ATOM 1336 CB ASN 2 32 2.589 3.651 -9.035 1.00 0.00 C ATOM 1337 CG ASN 2 32 1.312 4.477 -9.197 1.00 0.00 C ATOM 1338 OD1 ASN 2 32 1.255 5.547 -8.409 1.00 0.00 O flip ATOM 1339 ND2 ASN 2 32 0.435 4.164 -9.985 1.00 0.00 N flip ATOM 0 H ASN 2 32 4.049 5.077 -7.625 1.00 0.00 H new ATOM 0 HA ASN 2 32 1.926 3.369 -7.006 1.00 0.00 H new ATOM 0 HB2 ASN 2 32 3.433 4.192 -9.463 1.00 0.00 H new ATOM 0 HB3 ASN 2 32 2.495 2.717 -9.589 1.00 0.00 H new ATOM 0 HD21 ASN 2 32 0.541 3.329 -10.561 1.00 0.00 H new ATOM 0 HD22 ASN 2 32 -0.405 4.737 -10.068 1.00 0.00 H new ATOM 1346 N ASN 2 33 4.816 1.991 -7.169 1.00 0.00 N ATOM 1347 CA ASN 2 33 5.574 0.756 -7.053 1.00 0.00 C ATOM 1348 C ASN 2 33 5.597 0.313 -5.589 1.00 0.00 C ATOM 1349 O ASN 2 33 5.703 -0.877 -5.298 1.00 0.00 O ATOM 1350 CB ASN 2 33 7.020 0.952 -7.511 1.00 0.00 C ATOM 1351 CG ASN 2 33 7.704 -0.393 -7.761 1.00 0.00 C ATOM 1352 OD1 ASN 2 33 7.111 -1.452 -7.639 1.00 0.00 O ATOM 1353 ND2 ASN 2 33 8.980 -0.293 -8.119 1.00 0.00 N ATOM 0 H ASN 2 33 5.355 2.840 -6.999 1.00 0.00 H new ATOM 0 HA ASN 2 33 5.095 0.006 -7.683 1.00 0.00 H new ATOM 0 HB2 ASN 2 33 7.038 1.548 -8.423 1.00 0.00 H new ATOM 0 HB3 ASN 2 33 7.572 1.510 -6.755 1.00 0.00 H new ATOM 0 HD21 ASN 2 33 9.523 -1.135 -8.310 1.00 0.00 H new ATOM 0 HD22 ASN 2 33 9.416 0.625 -8.203 1.00 0.00 H new ATOM 1360 N ARG 2 34 5.498 1.295 -4.705 1.00 0.00 N ATOM 1361 CA ARG 2 34 5.506 1.021 -3.278 1.00 0.00 C ATOM 1362 C ARG 2 34 4.091 0.702 -2.790 1.00 0.00 C ATOM 1363 O ARG 2 34 3.918 -0.015 -1.806 1.00 0.00 O ATOM 1364 CB ARG 2 34 6.052 2.215 -2.492 1.00 0.00 C ATOM 1365 CG ARG 2 34 7.256 2.835 -3.203 1.00 0.00 C ATOM 1366 CD ARG 2 34 8.419 3.044 -2.231 1.00 0.00 C ATOM 1367 NE ARG 2 34 9.626 2.348 -2.728 1.00 0.00 N ATOM 1368 CZ ARG 2 34 10.656 1.983 -1.953 1.00 0.00 C ATOM 1369 NH1 ARG 2 34 10.633 2.246 -0.640 1.00 0.00 N ATOM 1370 NH2 ARG 2 34 11.712 1.355 -2.493 1.00 0.00 N ATOM 0 H ARG 2 34 5.412 2.282 -4.949 1.00 0.00 H new ATOM 0 HA ARG 2 34 6.154 0.161 -3.109 1.00 0.00 H new ATOM 0 HB2 ARG 2 34 5.270 2.965 -2.373 1.00 0.00 H new ATOM 0 HB3 ARG 2 34 6.342 1.894 -1.491 1.00 0.00 H new ATOM 0 HG2 ARG 2 34 7.573 2.188 -4.021 1.00 0.00 H new ATOM 0 HG3 ARG 2 34 6.970 3.790 -3.644 1.00 0.00 H new ATOM 0 HD2 ARG 2 34 8.623 4.109 -2.119 1.00 0.00 H new ATOM 0 HD3 ARG 2 34 8.151 2.666 -1.244 1.00 0.00 H new ATOM 0 HE ARG 2 34 9.677 2.132 -3.724 1.00 0.00 H new ATOM 0 HH11 ARG 2 34 9.831 2.724 -0.230 1.00 0.00 H new ATOM 0 HH12 ARG 2 34 11.417 1.968 -0.050 1.00 0.00 H new ATOM 0 HH21 ARG 2 34 11.730 1.156 -3.493 1.00 0.00 H new ATOM 0 HH22 ARG 2 34 12.496 1.077 -1.903 1.00 0.00 H new ATOM 1384 N GLY 2 35 3.117 1.250 -3.501 1.00 0.00 N ATOM 1385 CA GLY 2 35 1.723 1.032 -3.153 1.00 0.00 C ATOM 1386 C GLY 2 35 1.017 2.358 -2.863 1.00 0.00 C ATOM 1387 O GLY 2 35 0.016 2.390 -2.148 1.00 0.00 O ATOM 0 H GLY 2 35 3.265 1.845 -4.316 1.00 0.00 H new ATOM 0 HA2 GLY 2 35 1.217 0.517 -3.970 1.00 0.00 H new ATOM 0 HA3 GLY 2 35 1.660 0.383 -2.279 1.00 0.00 H new ATOM 1391 N CYS 2 36 1.566 3.422 -3.432 1.00 0.00 N ATOM 1392 CA CYS 2 36 1.002 4.747 -3.243 1.00 0.00 C ATOM 1393 C CYS 2 36 0.572 5.285 -4.610 1.00 0.00 C ATOM 1394 O CYS 2 36 0.773 4.629 -5.630 1.00 0.00 O ATOM 1395 CB CYS 2 36 1.986 5.686 -2.544 1.00 0.00 C ATOM 1396 SG CYS 2 36 2.427 5.202 -0.834 1.00 0.00 S ATOM 0 H CYS 2 36 2.396 3.393 -4.024 1.00 0.00 H new ATOM 0 HA CYS 2 36 0.133 4.685 -2.588 1.00 0.00 H new ATOM 0 HB2 CYS 2 36 2.898 5.741 -3.138 1.00 0.00 H new ATOM 0 HB3 CYS 2 36 1.558 6.688 -2.524 1.00 0.00 H new ATOM 1401 N CYS 2 37 -0.012 6.474 -4.585 1.00 0.00 N ATOM 1402 CA CYS 2 37 -0.471 7.108 -5.809 1.00 0.00 C ATOM 1403 C CYS 2 37 0.187 8.485 -5.914 1.00 0.00 C ATOM 1404 O CYS 2 37 0.122 9.280 -4.978 1.00 0.00 O ATOM 1405 CB CYS 2 37 -1.998 7.200 -5.859 1.00 0.00 C ATOM 1406 SG CYS 2 37 -2.704 7.314 -7.544 1.00 0.00 S ATOM 0 H CYS 2 37 -0.178 7.015 -3.736 1.00 0.00 H new ATOM 0 HA CYS 2 37 -0.180 6.502 -6.667 1.00 0.00 H new ATOM 0 HB2 CYS 2 37 -2.417 6.325 -5.363 1.00 0.00 H new ATOM 0 HB3 CYS 2 37 -2.315 8.073 -5.288 1.00 0.00 H new ATOM 0 HG CYS 2 37 -4.000 7.385 -7.468 1.00 0.00 H new ATOM 1411 N PHE 2 38 0.805 8.724 -7.061 1.00 0.00 N ATOM 1412 CA PHE 2 38 1.475 9.991 -7.300 1.00 0.00 C ATOM 1413 C PHE 2 38 0.539 10.983 -7.994 1.00 0.00 C ATOM 1414 O PHE 2 38 0.003 10.693 -9.062 1.00 0.00 O ATOM 1415 CB PHE 2 38 2.664 9.702 -8.218 1.00 0.00 C ATOM 1416 CG PHE 2 38 3.613 10.889 -8.399 1.00 0.00 C ATOM 1417 CD1 PHE 2 38 4.577 11.136 -7.473 1.00 0.00 C ATOM 1418 CD2 PHE 2 38 3.491 11.696 -9.488 1.00 0.00 C ATOM 1419 CE1 PHE 2 38 5.457 12.239 -7.641 1.00 0.00 C ATOM 1420 CE2 PHE 2 38 4.372 12.797 -9.656 1.00 0.00 C ATOM 1421 CZ PHE 2 38 5.336 13.046 -8.730 1.00 0.00 C ATOM 0 H PHE 2 38 0.856 8.062 -7.835 1.00 0.00 H new ATOM 0 HA PHE 2 38 1.790 10.430 -6.353 1.00 0.00 H new ATOM 0 HB2 PHE 2 38 3.225 8.859 -7.814 1.00 0.00 H new ATOM 0 HB3 PHE 2 38 2.290 9.397 -9.195 1.00 0.00 H new ATOM 0 HD1 PHE 2 38 4.674 10.494 -6.610 1.00 0.00 H new ATOM 0 HD2 PHE 2 38 2.725 11.499 -10.224 1.00 0.00 H new ATOM 0 HE1 PHE 2 38 6.222 12.437 -6.905 1.00 0.00 H new ATOM 0 HE2 PHE 2 38 4.276 13.437 -10.520 1.00 0.00 H new ATOM 0 HZ PHE 2 38 6.005 13.884 -8.859 1.00 0.00 H new ATOM 1431 N ASP 2 39 0.372 12.134 -7.358 1.00 0.00 N ATOM 1432 CA ASP 2 39 -0.490 13.170 -7.901 1.00 0.00 C ATOM 1433 C ASP 2 39 0.339 14.104 -8.786 1.00 0.00 C ATOM 1434 O ASP 2 39 0.364 13.949 -10.006 1.00 0.00 O ATOM 1435 CB ASP 2 39 -1.114 14.008 -6.784 1.00 0.00 C ATOM 1436 CG ASP 2 39 -1.908 15.227 -7.257 1.00 0.00 C ATOM 1437 OD1 ASP 2 39 -2.961 15.007 -7.893 1.00 0.00 O ATOM 1438 OD2 ASP 2 39 -1.444 16.353 -6.971 1.00 0.00 O ATOM 0 H ASP 2 39 0.819 12.371 -6.472 1.00 0.00 H new ATOM 0 HA ASP 2 39 -1.281 12.686 -8.473 1.00 0.00 H new ATOM 0 HB2 ASP 2 39 -1.773 13.369 -6.196 1.00 0.00 H new ATOM 0 HB3 ASP 2 39 -0.321 14.346 -6.117 1.00 0.00 H new ATOM 1443 N SER 2 40 0.997 15.054 -8.136 1.00 0.00 N ATOM 1444 CA SER 2 40 1.824 16.012 -8.849 1.00 0.00 C ATOM 1445 C SER 2 40 0.982 17.218 -9.271 1.00 0.00 C ATOM 1446 O SER 2 40 1.524 18.265 -9.622 1.00 0.00 O ATOM 1447 CB SER 2 40 2.482 15.370 -10.073 1.00 0.00 C ATOM 1448 OG SER 2 40 3.759 15.937 -10.351 1.00 0.00 O ATOM 0 H SER 2 40 0.974 15.180 -7.124 1.00 0.00 H new ATOM 0 HA SER 2 40 2.616 16.346 -8.178 1.00 0.00 H new ATOM 0 HB2 SER 2 40 2.590 14.298 -9.906 1.00 0.00 H new ATOM 0 HB3 SER 2 40 1.834 15.494 -10.940 1.00 0.00 H new ATOM 0 HG SER 2 40 4.462 15.331 -10.037 1.00 0.00 H new ATOM 1454 N ARG 2 41 -0.328 17.031 -9.222 1.00 0.00 N ATOM 1455 CA ARG 2 41 -1.251 18.091 -9.594 1.00 0.00 C ATOM 1456 C ARG 2 41 -1.046 19.311 -8.695 1.00 0.00 C ATOM 1457 O ARG 2 41 -0.888 20.428 -9.185 1.00 0.00 O ATOM 1458 CB ARG 2 41 -2.702 17.621 -9.484 1.00 0.00 C ATOM 1459 CG ARG 2 41 -3.003 16.523 -10.507 1.00 0.00 C ATOM 1460 CD ARG 2 41 -4.376 16.733 -11.148 1.00 0.00 C ATOM 1461 NE ARG 2 41 -4.273 17.709 -12.255 1.00 0.00 N ATOM 1462 CZ ARG 2 41 -3.737 17.436 -13.452 1.00 0.00 C ATOM 1463 NH1 ARG 2 41 -3.252 16.212 -13.705 1.00 0.00 N ATOM 1464 NH2 ARG 2 41 -3.686 18.384 -14.398 1.00 0.00 N ATOM 0 H ARG 2 41 -0.773 16.161 -8.930 1.00 0.00 H new ATOM 0 HA ARG 2 41 -1.047 18.361 -10.630 1.00 0.00 H new ATOM 0 HB2 ARG 2 41 -2.891 17.247 -8.478 1.00 0.00 H new ATOM 0 HB3 ARG 2 41 -3.374 18.464 -9.642 1.00 0.00 H new ATOM 0 HG2 ARG 2 41 -2.234 16.520 -11.279 1.00 0.00 H new ATOM 0 HG3 ARG 2 41 -2.970 15.548 -10.020 1.00 0.00 H new ATOM 0 HD2 ARG 2 41 -4.760 15.784 -11.523 1.00 0.00 H new ATOM 0 HD3 ARG 2 41 -5.084 17.091 -10.401 1.00 0.00 H new ATOM 0 HE ARG 2 41 -4.633 18.650 -12.097 1.00 0.00 H new ATOM 0 HH11 ARG 2 41 -3.291 15.489 -12.986 1.00 0.00 H new ATOM 0 HH12 ARG 2 41 -2.844 16.003 -14.616 1.00 0.00 H new ATOM 0 HH21 ARG 2 41 -4.056 19.315 -14.207 1.00 0.00 H new ATOM 0 HH22 ARG 2 41 -3.277 18.174 -15.309 1.00 0.00 H new ATOM 1478 N ILE 2 42 -1.057 19.057 -7.394 1.00 0.00 N ATOM 1479 CA ILE 2 42 -0.876 20.122 -6.423 1.00 0.00 C ATOM 1480 C ILE 2 42 0.399 19.860 -5.619 1.00 0.00 C ATOM 1481 O ILE 2 42 0.558 18.792 -5.029 1.00 0.00 O ATOM 1482 CB ILE 2 42 -2.128 20.276 -5.557 1.00 0.00 C ATOM 1483 CG1 ILE 2 42 -3.344 19.641 -6.233 1.00 0.00 C ATOM 1484 CG2 ILE 2 42 -2.371 21.744 -5.201 1.00 0.00 C ATOM 1485 CD1 ILE 2 42 -4.609 19.852 -5.399 1.00 0.00 C ATOM 0 H ILE 2 42 -1.188 18.129 -6.991 1.00 0.00 H new ATOM 0 HA ILE 2 42 -0.746 21.080 -6.927 1.00 0.00 H new ATOM 0 HB ILE 2 42 -1.964 19.741 -4.622 1.00 0.00 H new ATOM 0 HG12 ILE 2 42 -3.481 20.074 -7.224 1.00 0.00 H new ATOM 0 HG13 ILE 2 42 -3.171 18.574 -6.373 1.00 0.00 H new ATOM 0 HG21 ILE 2 42 -3.267 21.826 -4.585 1.00 0.00 H new ATOM 0 HG22 ILE 2 42 -1.515 22.131 -4.649 1.00 0.00 H new ATOM 0 HG23 ILE 2 42 -2.505 22.323 -6.115 1.00 0.00 H new ATOM 0 HD11 ILE 2 42 -5.458 19.391 -5.903 1.00 0.00 H new ATOM 0 HD12 ILE 2 42 -4.478 19.396 -4.418 1.00 0.00 H new ATOM 0 HD13 ILE 2 42 -4.793 20.920 -5.281 1.00 0.00 H new ATOM 1497 N PRO 2 43 1.299 20.880 -5.620 1.00 0.00 N ATOM 1498 CA PRO 2 43 2.556 20.771 -4.899 1.00 0.00 C ATOM 1499 C PRO 2 43 2.337 20.921 -3.392 1.00 0.00 C ATOM 1500 O PRO 2 43 3.212 20.581 -2.597 1.00 0.00 O ATOM 1501 CB PRO 2 43 3.440 21.861 -5.482 1.00 0.00 C ATOM 1502 CG PRO 2 43 2.501 22.834 -6.175 1.00 0.00 C ATOM 1503 CD PRO 2 43 1.146 22.159 -6.308 1.00 0.00 C ATOM 0 HA PRO 2 43 3.024 19.793 -5.014 1.00 0.00 H new ATOM 0 HB2 PRO 2 43 4.012 22.360 -4.700 1.00 0.00 H new ATOM 0 HB3 PRO 2 43 4.160 21.445 -6.186 1.00 0.00 H new ATOM 0 HG2 PRO 2 43 2.414 23.756 -5.600 1.00 0.00 H new ATOM 0 HG3 PRO 2 43 2.890 23.107 -7.156 1.00 0.00 H new ATOM 0 HD2 PRO 2 43 0.358 22.760 -5.855 1.00 0.00 H new ATOM 0 HD3 PRO 2 43 0.876 22.016 -7.354 1.00 0.00 H new ATOM 1511 N GLY 2 44 1.164 21.430 -3.044 1.00 0.00 N ATOM 1512 CA GLY 2 44 0.820 21.628 -1.647 1.00 0.00 C ATOM 1513 C GLY 2 44 0.173 20.373 -1.057 1.00 0.00 C ATOM 1514 O GLY 2 44 -0.017 20.279 0.154 1.00 0.00 O ATOM 0 H GLY 2 44 0.440 21.711 -3.706 1.00 0.00 H new ATOM 0 HA2 GLY 2 44 1.717 21.880 -1.080 1.00 0.00 H new ATOM 0 HA3 GLY 2 44 0.136 22.472 -1.553 1.00 0.00 H new ATOM 1518 N VAL 2 45 -0.149 19.442 -1.942 1.00 0.00 N ATOM 1519 CA VAL 2 45 -0.771 18.196 -1.525 1.00 0.00 C ATOM 1520 C VAL 2 45 0.250 17.061 -1.631 1.00 0.00 C ATOM 1521 O VAL 2 45 1.327 17.241 -2.195 1.00 0.00 O ATOM 1522 CB VAL 2 45 -2.036 17.941 -2.347 1.00 0.00 C ATOM 1523 CG1 VAL 2 45 -1.827 16.788 -3.331 1.00 0.00 C ATOM 1524 CG2 VAL 2 45 -3.237 17.677 -1.437 1.00 0.00 C ATOM 0 H VAL 2 45 0.009 19.525 -2.946 1.00 0.00 H new ATOM 0 HA VAL 2 45 -1.084 18.256 -0.483 1.00 0.00 H new ATOM 0 HB VAL 2 45 -2.247 18.840 -2.926 1.00 0.00 H new ATOM 0 HG11 VAL 2 45 -2.741 16.627 -3.903 1.00 0.00 H new ATOM 0 HG12 VAL 2 45 -1.012 17.034 -4.012 1.00 0.00 H new ATOM 0 HG13 VAL 2 45 -1.579 15.880 -2.781 1.00 0.00 H new ATOM 0 HG21 VAL 2 45 -4.123 17.499 -2.046 1.00 0.00 H new ATOM 0 HG22 VAL 2 45 -3.040 16.801 -0.819 1.00 0.00 H new ATOM 0 HG23 VAL 2 45 -3.405 18.543 -0.796 1.00 0.00 H new ATOM 1534 N PRO 2 46 -0.136 15.887 -1.064 1.00 0.00 N ATOM 1535 CA PRO 2 46 0.733 14.723 -1.090 1.00 0.00 C ATOM 1536 C PRO 2 46 0.754 14.084 -2.481 1.00 0.00 C ATOM 1537 O PRO 2 46 -0.257 13.556 -2.940 1.00 0.00 O ATOM 1538 CB PRO 2 46 0.180 13.795 -0.020 1.00 0.00 C ATOM 1539 CG PRO 2 46 -1.243 14.262 0.243 1.00 0.00 C ATOM 1540 CD PRO 2 46 -1.406 15.637 -0.387 1.00 0.00 C ATOM 0 HA PRO 2 46 1.774 14.972 -0.885 1.00 0.00 H new ATOM 0 HB2 PRO 2 46 0.195 12.758 -0.357 1.00 0.00 H new ATOM 0 HB3 PRO 2 46 0.781 13.844 0.888 1.00 0.00 H new ATOM 0 HG2 PRO 2 46 -1.960 13.560 -0.182 1.00 0.00 H new ATOM 0 HG3 PRO 2 46 -1.438 14.307 1.314 1.00 0.00 H new ATOM 0 HD2 PRO 2 46 -2.239 15.655 -1.089 1.00 0.00 H new ATOM 0 HD3 PRO 2 46 -1.609 16.397 0.368 1.00 0.00 H new ATOM 1548 N TRP 2 47 1.918 14.155 -3.111 1.00 0.00 N ATOM 1549 CA TRP 2 47 2.084 13.591 -4.439 1.00 0.00 C ATOM 1550 C TRP 2 47 2.444 12.112 -4.284 1.00 0.00 C ATOM 1551 O TRP 2 47 3.142 11.547 -5.125 1.00 0.00 O ATOM 1552 CB TRP 2 47 3.121 14.377 -5.243 1.00 0.00 C ATOM 1553 CG TRP 2 47 3.610 15.651 -4.550 1.00 0.00 C ATOM 1554 CD1 TRP 2 47 3.012 16.849 -4.508 1.00 0.00 C ATOM 1555 CD2 TRP 2 47 4.831 15.804 -3.796 1.00 0.00 C ATOM 1556 NE1 TRP 2 47 3.755 17.760 -3.786 1.00 0.00 N ATOM 1557 CE2 TRP 2 47 4.896 17.105 -3.339 1.00 0.00 C ATOM 1558 CE3 TRP 2 47 5.847 14.875 -3.509 1.00 0.00 C ATOM 1559 CZ2 TRP 2 47 5.957 17.595 -2.568 1.00 0.00 C ATOM 1560 CZ3 TRP 2 47 6.901 15.380 -2.738 1.00 0.00 C ATOM 1561 CH2 TRP 2 47 6.981 16.686 -2.271 1.00 0.00 C ATOM 0 H TRP 2 47 2.754 14.594 -2.726 1.00 0.00 H new ATOM 0 HA TRP 2 47 1.157 13.666 -5.008 1.00 0.00 H new ATOM 0 HB2 TRP 2 47 3.977 13.732 -5.441 1.00 0.00 H new ATOM 0 HB3 TRP 2 47 2.692 14.643 -6.209 1.00 0.00 H new ATOM 0 HD1 TRP 2 47 2.067 17.073 -4.980 1.00 0.00 H new ATOM 0 HE1 TRP 2 47 3.512 18.735 -3.612 1.00 0.00 H new ATOM 0 HE3 TRP 2 47 5.817 13.853 -3.856 1.00 0.00 H new ATOM 0 HZ2 TRP 2 47 5.985 18.617 -2.221 1.00 0.00 H new ATOM 0 HZ3 TRP 2 47 7.708 14.707 -2.489 1.00 0.00 H new ATOM 0 HH2 TRP 2 47 7.830 16.999 -1.681 1.00 0.00 H new ATOM 1572 N CYS 2 48 1.953 11.527 -3.201 1.00 0.00 N ATOM 1573 CA CYS 2 48 2.214 10.125 -2.924 1.00 0.00 C ATOM 1574 C CYS 2 48 1.348 9.700 -1.736 1.00 0.00 C ATOM 1575 O CYS 2 48 1.682 9.986 -0.587 1.00 0.00 O ATOM 1576 CB CYS 2 48 3.700 9.866 -2.670 1.00 0.00 C ATOM 1577 SG CYS 2 48 4.165 8.099 -2.569 1.00 0.00 S ATOM 0 H CYS 2 48 1.376 11.999 -2.505 1.00 0.00 H new ATOM 0 HA CYS 2 48 1.952 9.525 -3.795 1.00 0.00 H new ATOM 0 HB2 CYS 2 48 4.277 10.334 -3.467 1.00 0.00 H new ATOM 0 HB3 CYS 2 48 3.986 10.356 -1.739 1.00 0.00 H new ATOM 1582 N PHE 2 49 0.254 9.024 -2.053 1.00 0.00 N ATOM 1583 CA PHE 2 49 -0.661 8.558 -1.026 1.00 0.00 C ATOM 1584 C PHE 2 49 -1.137 7.133 -1.321 1.00 0.00 C ATOM 1585 O PHE 2 49 -0.586 6.459 -2.189 1.00 0.00 O ATOM 1586 CB PHE 2 49 -1.868 9.498 -1.041 1.00 0.00 C ATOM 1587 CG PHE 2 49 -2.134 10.148 -2.401 1.00 0.00 C ATOM 1588 CD1 PHE 2 49 -1.211 10.984 -2.947 1.00 0.00 C ATOM 1589 CD2 PHE 2 49 -3.293 9.888 -3.062 1.00 0.00 C ATOM 1590 CE1 PHE 2 49 -1.458 11.587 -4.209 1.00 0.00 C ATOM 1591 CE2 PHE 2 49 -3.540 10.491 -4.325 1.00 0.00 C ATOM 1592 CZ PHE 2 49 -2.617 11.327 -4.871 1.00 0.00 C ATOM 0 H PHE 2 49 -0.019 8.788 -3.007 1.00 0.00 H new ATOM 0 HA PHE 2 49 -0.161 8.553 -0.058 1.00 0.00 H new ATOM 0 HB2 PHE 2 49 -2.754 8.940 -0.737 1.00 0.00 H new ATOM 0 HB3 PHE 2 49 -1.715 10.282 -0.299 1.00 0.00 H new ATOM 0 HD1 PHE 2 49 -0.290 11.189 -2.421 1.00 0.00 H new ATOM 0 HD2 PHE 2 49 -4.026 9.224 -2.628 1.00 0.00 H new ATOM 0 HE1 PHE 2 49 -0.726 12.252 -4.643 1.00 0.00 H new ATOM 0 HE2 PHE 2 49 -4.461 10.285 -4.851 1.00 0.00 H new ATOM 0 HZ PHE 2 49 -2.805 11.785 -5.831 1.00 0.00 H new ATOM 1602 N LYS 2 50 -2.154 6.718 -0.581 1.00 0.00 N ATOM 1603 CA LYS 2 50 -2.710 5.386 -0.752 1.00 0.00 C ATOM 1604 C LYS 2 50 -4.202 5.498 -1.070 1.00 0.00 C ATOM 1605 O LYS 2 50 -5.043 5.094 -0.268 1.00 0.00 O ATOM 1606 CB LYS 2 50 -2.404 4.517 0.469 1.00 0.00 C ATOM 1607 CG LYS 2 50 -1.894 5.368 1.634 1.00 0.00 C ATOM 1608 CD LYS 2 50 -0.390 5.624 1.507 1.00 0.00 C ATOM 1609 CE LYS 2 50 0.370 4.318 1.261 1.00 0.00 C ATOM 1610 NZ LYS 2 50 -0.175 3.234 2.108 1.00 0.00 N ATOM 0 H LYS 2 50 -2.608 7.280 0.139 1.00 0.00 H new ATOM 0 HA LYS 2 50 -2.241 4.883 -1.597 1.00 0.00 H new ATOM 0 HB2 LYS 2 50 -3.303 3.980 0.772 1.00 0.00 H new ATOM 0 HB3 LYS 2 50 -1.658 3.767 0.208 1.00 0.00 H new ATOM 0 HG2 LYS 2 50 -2.428 6.318 1.656 1.00 0.00 H new ATOM 0 HG3 LYS 2 50 -2.102 4.863 2.577 1.00 0.00 H new ATOM 0 HD2 LYS 2 50 -0.204 6.317 0.687 1.00 0.00 H new ATOM 0 HD3 LYS 2 50 -0.020 6.098 2.416 1.00 0.00 H new ATOM 0 HE2 LYS 2 50 0.295 4.039 0.210 1.00 0.00 H new ATOM 0 HE3 LYS 2 50 1.429 4.460 1.478 1.00 0.00 H new ATOM 0 HZ1 LYS 2 50 0.573 2.539 2.306 1.00 0.00 H new ATOM 0 HZ2 LYS 2 50 -0.522 3.634 3.003 1.00 0.00 H new ATOM 0 HZ3 LYS 2 50 -0.960 2.766 1.611 1.00 0.00 H new ATOM 1624 N PRO 2 51 -4.493 6.064 -2.272 1.00 0.00 N ATOM 1625 CA PRO 2 51 -5.870 6.234 -2.706 1.00 0.00 C ATOM 1626 C PRO 2 51 -6.474 4.899 -3.148 1.00 0.00 C ATOM 1627 O PRO 2 51 -7.075 4.190 -2.343 1.00 0.00 O ATOM 1628 CB PRO 2 51 -5.805 7.257 -3.827 1.00 0.00 C ATOM 1629 CG PRO 2 51 -4.358 7.276 -4.292 1.00 0.00 C ATOM 1630 CD PRO 2 51 -3.523 6.555 -3.246 1.00 0.00 C ATOM 0 HA PRO 2 51 -6.524 6.581 -1.906 1.00 0.00 H new ATOM 0 HB2 PRO 2 51 -6.474 6.984 -4.643 1.00 0.00 H new ATOM 0 HB3 PRO 2 51 -6.115 8.241 -3.476 1.00 0.00 H new ATOM 0 HG2 PRO 2 51 -4.262 6.786 -5.261 1.00 0.00 H new ATOM 0 HG3 PRO 2 51 -4.011 8.302 -4.417 1.00 0.00 H new ATOM 0 HD2 PRO 2 51 -2.956 5.736 -3.688 1.00 0.00 H new ATOM 0 HD3 PRO 2 51 -2.802 7.228 -2.782 1.00 0.00 H new ATOM 1638 N LEU 2 52 -6.294 4.599 -4.425 1.00 0.00 N ATOM 1639 CA LEU 2 52 -6.813 3.363 -4.984 1.00 0.00 C ATOM 1640 C LEU 2 52 -5.666 2.369 -5.167 1.00 0.00 C ATOM 1641 O LEU 2 52 -5.724 1.500 -6.036 1.00 0.00 O ATOM 1642 CB LEU 2 52 -7.596 3.643 -6.269 1.00 0.00 C ATOM 1643 CG LEU 2 52 -6.864 3.344 -7.579 1.00 0.00 C ATOM 1644 CD1 LEU 2 52 -7.555 4.022 -8.762 1.00 0.00 C ATOM 1645 CD2 LEU 2 52 -5.386 3.730 -7.481 1.00 0.00 C ATOM 0 H LEU 2 52 -5.795 5.191 -5.089 1.00 0.00 H new ATOM 0 HA LEU 2 52 -7.525 2.905 -4.298 1.00 0.00 H new ATOM 0 HB2 LEU 2 52 -8.514 3.056 -6.247 1.00 0.00 H new ATOM 0 HB3 LEU 2 52 -7.889 4.693 -6.271 1.00 0.00 H new ATOM 0 HG LEU 2 52 -6.906 2.269 -7.755 1.00 0.00 H new ATOM 0 HD11 LEU 2 52 -7.014 3.793 -9.680 1.00 0.00 H new ATOM 0 HD12 LEU 2 52 -8.579 3.657 -8.844 1.00 0.00 H new ATOM 0 HD13 LEU 2 52 -7.566 5.101 -8.607 1.00 0.00 H new ATOM 0 HD21 LEU 2 52 -4.888 3.507 -8.425 1.00 0.00 H new ATOM 0 HD22 LEU 2 52 -5.302 4.796 -7.269 1.00 0.00 H new ATOM 0 HD23 LEU 2 52 -4.914 3.162 -6.679 1.00 0.00 H new ATOM 1657 N GLN 2 53 -4.648 2.528 -4.334 1.00 0.00 N ATOM 1658 CA GLN 2 53 -3.489 1.656 -4.393 1.00 0.00 C ATOM 1659 C GLN 2 53 -3.929 0.191 -4.439 1.00 0.00 C ATOM 1660 O GLN 2 53 -3.149 -0.684 -4.814 1.00 0.00 O ATOM 1661 CB GLN 2 53 -2.552 1.909 -3.210 1.00 0.00 C ATOM 1662 CG GLN 2 53 -3.228 2.779 -2.150 1.00 0.00 C ATOM 1663 CD GLN 2 53 -4.506 2.116 -1.630 1.00 0.00 C ATOM 1664 OE1 GLN 2 53 -5.519 2.756 -1.402 1.00 0.00 O ATOM 1665 NE2 GLN 2 53 -4.402 0.802 -1.457 1.00 0.00 N ATOM 0 H GLN 2 53 -4.603 3.249 -3.614 1.00 0.00 H new ATOM 0 HA GLN 2 53 -2.937 1.879 -5.306 1.00 0.00 H new ATOM 0 HB2 GLN 2 53 -2.254 0.958 -2.768 1.00 0.00 H new ATOM 0 HB3 GLN 2 53 -1.643 2.397 -3.560 1.00 0.00 H new ATOM 0 HG2 GLN 2 53 -2.540 2.950 -1.322 1.00 0.00 H new ATOM 0 HG3 GLN 2 53 -3.466 3.755 -2.573 1.00 0.00 H new ATOM 0 HE21 GLN 2 53 -3.524 0.328 -1.667 1.00 0.00 H new ATOM 0 HE22 GLN 2 53 -5.200 0.268 -1.114 1.00 0.00 H new ATOM 1674 N GLU 2 54 -5.177 -0.032 -4.055 1.00 0.00 N ATOM 1675 CA GLU 2 54 -5.730 -1.376 -4.049 1.00 0.00 C ATOM 1676 C GLU 2 54 -5.274 -2.143 -5.291 1.00 0.00 C ATOM 1677 O GLU 2 54 -5.218 -3.372 -5.281 1.00 0.00 O ATOM 1678 CB GLU 2 54 -7.257 -1.340 -3.956 1.00 0.00 C ATOM 1679 CG GLU 2 54 -7.888 -1.225 -5.345 1.00 0.00 C ATOM 1680 CD GLU 2 54 -8.382 -2.587 -5.836 1.00 0.00 C ATOM 1681 OE1 GLU 2 54 -7.546 -3.515 -5.872 1.00 0.00 O ATOM 1682 OE2 GLU 2 54 -9.586 -2.669 -6.166 1.00 0.00 O ATOM 0 H GLU 2 54 -5.821 0.696 -3.746 1.00 0.00 H new ATOM 0 HA GLU 2 54 -5.357 -1.897 -3.167 1.00 0.00 H new ATOM 0 HB2 GLU 2 54 -7.616 -2.243 -3.463 1.00 0.00 H new ATOM 0 HB3 GLU 2 54 -7.568 -0.496 -3.340 1.00 0.00 H new ATOM 0 HG2 GLU 2 54 -8.720 -0.522 -5.313 1.00 0.00 H new ATOM 0 HG3 GLU 2 54 -7.158 -0.824 -6.048 1.00 0.00 H new ATOM 1689 N ALA 2 55 -4.959 -1.386 -6.333 1.00 0.00 N ATOM 1690 CA ALA 2 55 -4.509 -1.981 -7.580 1.00 0.00 C ATOM 1691 C ALA 2 55 -3.675 -3.225 -7.276 1.00 0.00 C ATOM 1692 O ALA 2 55 -4.064 -4.339 -7.622 1.00 0.00 O ATOM 1693 CB ALA 2 55 -3.732 -0.940 -8.390 1.00 0.00 C ATOM 0 H ALA 2 55 -5.007 -0.367 -6.339 1.00 0.00 H new ATOM 0 HA ALA 2 55 -5.360 -2.296 -8.184 1.00 0.00 H new ATOM 0 HB1 ALA 2 55 -3.394 -1.385 -9.326 1.00 0.00 H new ATOM 0 HB2 ALA 2 55 -4.379 -0.090 -8.606 1.00 0.00 H new ATOM 0 HB3 ALA 2 55 -2.869 -0.603 -7.816 1.00 0.00 H new ATOM 1699 N GLU 2 56 -2.540 -2.995 -6.631 1.00 0.00 N ATOM 1700 CA GLU 2 56 -1.646 -4.085 -6.276 1.00 0.00 C ATOM 1701 C GLU 2 56 -1.286 -4.013 -4.791 1.00 0.00 C ATOM 1702 O GLU 2 56 -0.332 -4.652 -4.348 1.00 0.00 O ATOM 1703 CB GLU 2 56 -0.389 -4.068 -7.148 1.00 0.00 C ATOM 1704 CG GLU 2 56 -0.447 -5.161 -8.216 1.00 0.00 C ATOM 1705 CD GLU 2 56 0.385 -4.775 -9.441 1.00 0.00 C ATOM 1706 OE1 GLU 2 56 -0.137 -3.987 -10.258 1.00 0.00 O ATOM 1707 OE2 GLU 2 56 1.527 -5.279 -9.531 1.00 0.00 O ATOM 0 H GLU 2 56 -2.219 -2.070 -6.345 1.00 0.00 H new ATOM 0 HA GLU 2 56 -2.162 -5.028 -6.459 1.00 0.00 H new ATOM 0 HB2 GLU 2 56 -0.287 -3.093 -7.625 1.00 0.00 H new ATOM 0 HB3 GLU 2 56 0.493 -4.211 -6.524 1.00 0.00 H new ATOM 0 HG2 GLU 2 56 -0.078 -6.099 -7.802 1.00 0.00 H new ATOM 0 HG3 GLU 2 56 -1.482 -5.330 -8.513 1.00 0.00 H new ATOM 1714 N CYS 2 57 -2.067 -3.230 -4.062 1.00 0.00 N ATOM 1715 CA CYS 2 57 -1.842 -3.066 -2.636 1.00 0.00 C ATOM 1716 C CYS 2 57 -2.696 -4.096 -1.894 1.00 0.00 C ATOM 1717 O CYS 2 57 -2.193 -5.136 -1.472 1.00 0.00 O ATOM 1718 CB CYS 2 57 -2.142 -1.638 -2.176 1.00 0.00 C ATOM 1719 SG CYS 2 57 -1.630 -1.260 -0.460 1.00 0.00 S ATOM 0 H CYS 2 57 -2.857 -2.702 -4.432 1.00 0.00 H new ATOM 0 HA CYS 2 57 -0.790 -3.236 -2.409 1.00 0.00 H new ATOM 0 HB2 CYS 2 57 -1.643 -0.942 -2.851 1.00 0.00 H new ATOM 0 HB3 CYS 2 57 -3.213 -1.459 -2.268 1.00 0.00 H new ATOM 1724 N THR 2 58 -3.973 -3.771 -1.757 1.00 0.00 N ATOM 1725 CA THR 2 58 -4.901 -4.654 -1.073 1.00 0.00 C ATOM 1726 C THR 2 58 -4.666 -6.105 -1.496 1.00 0.00 C ATOM 1727 O THR 2 58 -4.742 -7.016 -0.672 1.00 0.00 O ATOM 1728 CB THR 2 58 -6.321 -4.162 -1.359 1.00 0.00 C ATOM 1729 OG1 THR 2 58 -7.155 -5.068 -0.640 1.00 0.00 O ATOM 1730 CG2 THR 2 58 -6.727 -4.361 -2.820 1.00 0.00 C ATOM 0 H THR 2 58 -4.387 -2.907 -2.109 1.00 0.00 H new ATOM 0 HA THR 2 58 -4.745 -4.632 0.005 1.00 0.00 H new ATOM 0 HB THR 2 58 -6.397 -3.105 -1.102 1.00 0.00 H new ATOM 0 HG1 THR 2 58 -8.094 -4.821 -0.769 1.00 0.00 H new ATOM 0 HG21 THR 2 58 -7.743 -3.995 -2.968 1.00 0.00 H new ATOM 0 HG22 THR 2 58 -6.044 -3.809 -3.466 1.00 0.00 H new ATOM 0 HG23 THR 2 58 -6.683 -5.421 -3.069 1.00 0.00 H new ATOM 1738 N PHE 2 59 -4.383 -6.276 -2.779 1.00 0.00 N ATOM 1739 CA PHE 2 59 -4.135 -7.602 -3.320 1.00 0.00 C ATOM 1740 C PHE 2 59 -3.267 -8.429 -2.371 1.00 0.00 C ATOM 1741 O PHE 2 59 -2.542 -9.322 -2.806 1.00 0.00 O ATOM 1742 CB PHE 2 59 -3.386 -7.412 -4.641 1.00 0.00 C ATOM 1743 CG PHE 2 59 -4.263 -7.584 -5.884 1.00 0.00 C ATOM 1744 CD1 PHE 2 59 -5.361 -6.801 -6.054 1.00 0.00 C ATOM 1745 CD2 PHE 2 59 -3.943 -8.521 -6.817 1.00 0.00 C ATOM 1746 CE1 PHE 2 59 -6.175 -6.961 -7.207 1.00 0.00 C ATOM 1747 CE2 PHE 2 59 -4.757 -8.680 -7.971 1.00 0.00 C ATOM 1748 CZ PHE 2 59 -5.856 -7.897 -8.141 1.00 0.00 C ATOM 0 H PHE 2 59 -4.320 -5.519 -3.460 1.00 0.00 H new ATOM 0 HA PHE 2 59 -5.079 -8.130 -3.458 1.00 0.00 H new ATOM 0 HB2 PHE 2 59 -2.944 -6.416 -4.656 1.00 0.00 H new ATOM 0 HB3 PHE 2 59 -2.564 -8.127 -4.687 1.00 0.00 H new ATOM 0 HD1 PHE 2 59 -5.614 -6.058 -5.313 1.00 0.00 H new ATOM 0 HD2 PHE 2 59 -3.071 -9.144 -6.681 1.00 0.00 H new ATOM 0 HE1 PHE 2 59 -7.048 -6.339 -7.342 1.00 0.00 H new ATOM 0 HE2 PHE 2 59 -4.503 -9.423 -8.713 1.00 0.00 H new ATOM 0 HZ PHE 2 59 -6.475 -8.018 -9.017 1.00 0.00 H new