USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 601 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: A 104 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 107 GLN : amide:sc= -0.914 K(o=-0.91,f=-2.8!) USER MOD Set 2.1: A 93 GLN : amide:sc= -1.9! C(o=-5.4!,f=-9.4!) USER MOD Set 2.2: A 97 GLN : amide:sc= -3.54! C(o=-5.4!,f=-6!) USER MOD Set 3.1: A 33 MET CE :methyl -130:sc= -1.43 (180deg=-2.31!) USER MOD Set 3.2: A 94 MET CE :methyl -126:sc= -13.1! (180deg=-17.4!) USER MOD Set 4.1: A 31 HIS :FLIP no HE2:sc= -2.61 F(o=-16,f=-12) USER MOD Set 4.2: A 57 GLN :FLIP amide:sc= -9.05! C(o=-16!,f=-12!) USER MOD Set 5.1: A 24 ASN :FLIP amide:sc= -1.33! F(o=-9,f=-5.6!) USER MOD Set 5.2: A 80 GLN : amide:sc= -4.25! C(o=-5.6!,f=-7.3!) USER MOD Single : A 15 SER OG : rot 29:sc= 0.141 USER MOD Single : A 19 GLN : amide:sc= -0.06 X(o=-0.06,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 34 GLN : amide:sc= -0.0311 K(o=-0.031,f=-1.9!) USER MOD Single : A 37 MET CE :methyl -155:sc= -0.345 (180deg=-1.98!) USER MOD Single : A 56 GLN : amide:sc= -1.87! C(o=-1.9!,f=-6.6!) USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 65 ASN : amide:sc= -0.483 K(o=-0.48,f=-1.9!) USER MOD Single : A 70 THR OG1 : rot 170:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 74 MET CE :methyl -134:sc= -0.012 (180deg=-0.218) USER MOD Single : A 75 CYS SG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 82 MET CE :methyl 152:sc= -0.21 (180deg=-1.1) USER MOD Single : A 84 ASN : amide:sc=-0.00484 K(o=-0.0048,f=-0.87) USER MOD Single : A 85 GLN : amide:sc= -0.263 X(o=-0.26,f=-0.28) USER MOD Single : A 86 CYS SG : rot 180:sc= -3.86! USER MOD Single : A 90 GLN : amide:sc= -3.7! C(o=-3.7!,f=-5.7!) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 MET CE :methyl -142:sc= -0.22 (180deg=-1.21) USER MOD Single : A 108 GLN : amide:sc= -0.316 X(o=-0.32,f=-0.49) USER MOD Single : A 110 ASN : amide:sc= -0.311 X(o=-0.31,f=-0.56) USER MOD ----------------------------------------------------------------- ATOM 217 N SER A 15 -39.086 -12.944 15.355 1.00 0.00 N ATOM 218 CA SER A 15 -40.148 -13.935 15.687 1.00 0.00 C ATOM 219 C SER A 15 -41.250 -13.875 14.629 1.00 0.00 C ATOM 220 O SER A 15 -41.967 -14.831 14.410 1.00 0.00 O ATOM 221 CB SER A 15 -40.740 -13.606 17.059 1.00 0.00 C ATOM 222 OG SER A 15 -39.707 -13.621 18.035 1.00 0.00 O ATOM 0 HA SER A 15 -39.718 -14.936 15.707 1.00 0.00 H new ATOM 0 HB2 SER A 15 -41.219 -12.627 17.035 1.00 0.00 H new ATOM 0 HB3 SER A 15 -41.511 -14.332 17.318 1.00 0.00 H new ATOM 0 HG SER A 15 -38.856 -13.378 17.614 1.00 0.00 H new ATOM 228 N CYS A 16 -41.392 -12.758 13.968 1.00 0.00 N ATOM 229 CA CYS A 16 -42.449 -12.639 12.925 1.00 0.00 C ATOM 230 C CYS A 16 -42.022 -13.414 11.677 1.00 0.00 C ATOM 231 O CYS A 16 -42.839 -13.974 10.973 1.00 0.00 O ATOM 232 CB CYS A 16 -42.647 -11.164 12.566 1.00 0.00 C ATOM 233 SG CYS A 16 -43.749 -11.034 11.135 1.00 0.00 S ATOM 0 H CYS A 16 -40.822 -11.924 14.106 1.00 0.00 H new ATOM 0 HA CYS A 16 -43.384 -13.049 13.306 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -43.070 -10.626 13.414 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -41.686 -10.701 12.342 1.00 0.00 H new ATOM 238 N GLU A 17 -40.748 -13.454 11.397 1.00 0.00 N ATOM 239 CA GLU A 17 -40.272 -14.195 10.196 1.00 0.00 C ATOM 240 C GLU A 17 -40.625 -15.677 10.339 1.00 0.00 C ATOM 241 O GLU A 17 -40.708 -16.402 9.368 1.00 0.00 O ATOM 242 CB GLU A 17 -38.755 -14.042 10.069 1.00 0.00 C ATOM 243 CG GLU A 17 -38.277 -14.725 8.786 1.00 0.00 C ATOM 244 CD GLU A 17 -36.748 -14.788 8.781 1.00 0.00 C ATOM 245 OE1 GLU A 17 -36.155 -14.370 9.762 1.00 0.00 O ATOM 246 OE2 GLU A 17 -36.197 -15.252 7.797 1.00 0.00 O ATOM 0 H GLU A 17 -40.017 -13.005 11.948 1.00 0.00 H new ATOM 0 HA GLU A 17 -40.753 -13.791 9.305 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -38.486 -12.986 10.053 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -38.261 -14.484 10.934 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -38.693 -15.730 8.720 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -38.632 -14.175 7.914 1.00 0.00 H new ATOM 253 N ARG A 18 -40.836 -16.132 11.544 1.00 0.00 N ATOM 254 CA ARG A 18 -41.187 -17.565 11.747 1.00 0.00 C ATOM 255 C ARG A 18 -42.696 -17.744 11.582 1.00 0.00 C ATOM 256 O ARG A 18 -43.170 -18.795 11.197 1.00 0.00 O ATOM 257 CB ARG A 18 -40.771 -18.000 13.153 1.00 0.00 C ATOM 258 CG ARG A 18 -39.244 -18.035 13.246 1.00 0.00 C ATOM 259 CD ARG A 18 -38.827 -18.673 14.572 1.00 0.00 C ATOM 260 NE ARG A 18 -37.367 -18.463 14.784 1.00 0.00 N ATOM 261 CZ ARG A 18 -36.775 -18.995 15.819 1.00 0.00 C ATOM 262 NH1 ARG A 18 -36.967 -20.253 16.106 1.00 0.00 N ATOM 263 NH2 ARG A 18 -35.989 -18.267 16.565 1.00 0.00 N ATOM 0 H ARG A 18 -40.780 -15.573 12.396 1.00 0.00 H new ATOM 0 HA ARG A 18 -40.664 -18.176 11.011 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -41.175 -17.310 13.893 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -41.182 -18.984 13.377 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -38.831 -18.602 12.412 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -38.842 -17.025 13.174 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -39.392 -18.233 15.394 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -39.055 -19.739 14.563 1.00 0.00 H new ATOM 0 HE ARG A 18 -36.830 -17.904 14.121 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -37.580 -20.822 15.522 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -36.504 -20.668 16.915 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -35.838 -17.284 16.339 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -35.526 -18.681 17.374 1.00 0.00 H new ATOM 277 N GLN A 19 -43.456 -16.722 11.868 1.00 0.00 N ATOM 278 CA GLN A 19 -44.934 -16.831 11.723 1.00 0.00 C ATOM 279 C GLN A 19 -45.311 -16.661 10.251 1.00 0.00 C ATOM 280 O GLN A 19 -46.365 -17.079 9.817 1.00 0.00 O ATOM 281 CB GLN A 19 -45.611 -15.740 12.554 1.00 0.00 C ATOM 282 CG GLN A 19 -45.309 -15.965 14.037 1.00 0.00 C ATOM 283 CD GLN A 19 -46.085 -14.950 14.877 1.00 0.00 C ATOM 284 OE1 GLN A 19 -47.227 -15.177 15.225 1.00 0.00 O ATOM 285 NE2 GLN A 19 -45.510 -13.829 15.220 1.00 0.00 N ATOM 0 H GLN A 19 -43.117 -15.817 12.195 1.00 0.00 H new ATOM 0 HA GLN A 19 -45.264 -17.809 12.074 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -45.254 -14.758 12.244 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -46.688 -15.755 12.385 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -45.586 -16.979 14.325 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -44.239 -15.863 14.221 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -44.552 -13.637 14.928 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -46.019 -13.145 15.779 1.00 0.00 H new ATOM 294 N VAL A 20 -44.453 -16.052 9.478 1.00 0.00 N ATOM 295 CA VAL A 20 -44.759 -15.856 8.033 1.00 0.00 C ATOM 296 C VAL A 20 -44.553 -17.177 7.287 1.00 0.00 C ATOM 297 O VAL A 20 -45.233 -17.470 6.324 1.00 0.00 O ATOM 298 CB VAL A 20 -43.828 -14.790 7.453 1.00 0.00 C ATOM 299 CG1 VAL A 20 -42.372 -15.219 7.643 1.00 0.00 C ATOM 300 CG2 VAL A 20 -44.116 -14.617 5.960 1.00 0.00 C ATOM 0 H VAL A 20 -43.554 -15.682 9.785 1.00 0.00 H new ATOM 0 HA VAL A 20 -45.793 -15.532 7.920 1.00 0.00 H new ATOM 0 HB VAL A 20 -43.997 -13.845 7.969 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -41.711 -14.457 7.229 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -42.164 -15.340 8.706 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -42.202 -16.165 7.130 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -43.452 -13.857 5.547 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -43.949 -15.563 5.445 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -45.152 -14.307 5.823 1.00 0.00 H new ATOM 310 N ASP A 21 -43.619 -17.977 7.726 1.00 0.00 N ATOM 311 CA ASP A 21 -43.369 -19.277 7.042 1.00 0.00 C ATOM 312 C ASP A 21 -44.611 -20.163 7.162 1.00 0.00 C ATOM 313 O ASP A 21 -44.783 -21.109 6.419 1.00 0.00 O ATOM 314 CB ASP A 21 -42.177 -19.976 7.698 1.00 0.00 C ATOM 315 CG ASP A 21 -40.907 -19.159 7.450 1.00 0.00 C ATOM 316 OD1 ASP A 21 -40.954 -18.264 6.622 1.00 0.00 O ATOM 317 OD2 ASP A 21 -39.910 -19.443 8.093 1.00 0.00 O ATOM 0 H ASP A 21 -43.019 -17.786 8.528 1.00 0.00 H new ATOM 0 HA ASP A 21 -43.151 -19.099 5.989 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -42.349 -20.084 8.769 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -42.061 -20.980 7.291 1.00 0.00 H new ATOM 322 N ARG A 22 -45.477 -19.865 8.091 1.00 0.00 N ATOM 323 CA ARG A 22 -46.705 -20.691 8.256 1.00 0.00 C ATOM 324 C ARG A 22 -47.821 -20.129 7.372 1.00 0.00 C ATOM 325 O ARG A 22 -48.828 -20.770 7.144 1.00 0.00 O ATOM 326 CB ARG A 22 -47.151 -20.655 9.720 1.00 0.00 C ATOM 327 CG ARG A 22 -46.108 -21.360 10.589 1.00 0.00 C ATOM 328 CD ARG A 22 -46.602 -21.414 12.036 1.00 0.00 C ATOM 329 NE ARG A 22 -45.485 -21.833 12.928 1.00 0.00 N ATOM 330 CZ ARG A 22 -45.527 -22.993 13.525 1.00 0.00 C ATOM 331 NH1 ARG A 22 -46.645 -23.420 14.044 1.00 0.00 N ATOM 332 NH2 ARG A 22 -44.449 -23.726 13.603 1.00 0.00 N ATOM 0 H ARG A 22 -45.387 -19.085 8.743 1.00 0.00 H new ATOM 0 HA ARG A 22 -46.492 -21.719 7.964 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -47.275 -19.623 10.048 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -48.120 -21.143 9.828 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -45.930 -22.369 10.216 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -45.157 -20.829 10.538 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -46.977 -20.437 12.340 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -47.432 -22.115 12.122 1.00 0.00 H new ATOM 0 HE ARG A 22 -44.688 -21.214 13.072 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -47.487 -22.847 13.983 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -46.677 -24.327 14.510 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -43.575 -23.392 13.198 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -44.481 -24.633 14.069 1.00 0.00 H new ATOM 346 N VAL A 23 -47.651 -18.936 6.871 1.00 0.00 N ATOM 347 CA VAL A 23 -48.703 -18.336 6.004 1.00 0.00 C ATOM 348 C VAL A 23 -48.373 -18.610 4.534 1.00 0.00 C ATOM 349 O VAL A 23 -48.323 -17.708 3.722 1.00 0.00 O ATOM 350 CB VAL A 23 -48.761 -16.825 6.242 1.00 0.00 C ATOM 351 CG1 VAL A 23 -47.517 -16.164 5.642 1.00 0.00 C ATOM 352 CG2 VAL A 23 -50.014 -16.251 5.578 1.00 0.00 C ATOM 0 H VAL A 23 -46.829 -18.352 7.025 1.00 0.00 H new ATOM 0 HA VAL A 23 -49.669 -18.779 6.247 1.00 0.00 H new ATOM 0 HB VAL A 23 -48.795 -16.628 7.314 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -47.559 -15.088 5.812 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -46.624 -16.572 6.116 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -47.481 -16.361 4.571 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -50.055 -15.175 5.748 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -49.981 -16.448 4.507 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -50.900 -16.720 6.006 1.00 0.00 H new ATOM 362 N ASN A 24 -48.150 -19.848 4.187 1.00 0.00 N ATOM 363 CA ASN A 24 -47.828 -20.176 2.769 1.00 0.00 C ATOM 364 C ASN A 24 -49.126 -20.337 1.977 1.00 0.00 C ATOM 365 O ASN A 24 -49.978 -21.134 2.318 1.00 0.00 O ATOM 366 CB ASN A 24 -47.031 -21.482 2.716 1.00 0.00 C ATOM 367 CG ASN A 24 -45.765 -21.343 3.564 1.00 0.00 C ATOM 368 OD1 ASN A 24 -45.085 -20.230 3.522 1.00 0.00 O flip ATOM 369 ND2 ASN A 24 -45.390 -22.257 4.271 1.00 0.00 N flip ATOM 0 H ASN A 24 -48.177 -20.645 4.823 1.00 0.00 H new ATOM 0 HA ASN A 24 -47.235 -19.371 2.335 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -47.640 -22.307 3.085 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -46.767 -21.717 1.685 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -45.921 -23.127 4.304 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -44.544 -22.154 4.831 1.00 0.00 H new ATOM 376 N LEU A 25 -49.287 -19.585 0.924 1.00 0.00 N ATOM 377 CA LEU A 25 -50.532 -19.694 0.114 1.00 0.00 C ATOM 378 C LEU A 25 -50.169 -19.847 -1.365 1.00 0.00 C ATOM 379 O LEU A 25 -50.254 -18.912 -2.139 1.00 0.00 O ATOM 380 CB LEU A 25 -51.380 -18.434 0.303 1.00 0.00 C ATOM 381 CG LEU A 25 -51.868 -18.356 1.752 1.00 0.00 C ATOM 382 CD1 LEU A 25 -52.508 -19.689 2.148 1.00 0.00 C ATOM 383 CD2 LEU A 25 -50.684 -18.063 2.677 1.00 0.00 C ATOM 0 H LEU A 25 -48.610 -18.899 0.589 1.00 0.00 H new ATOM 0 HA LEU A 25 -51.100 -20.565 0.441 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -50.793 -17.549 0.058 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -52.231 -18.451 -0.378 1.00 0.00 H new ATOM 0 HG LEU A 25 -52.605 -17.558 1.843 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -52.855 -19.634 3.180 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -53.353 -19.896 1.491 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -51.772 -20.488 2.055 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -51.033 -18.008 3.708 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -49.945 -18.859 2.586 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -50.229 -17.113 2.396 1.00 0.00 H new ATOM 395 N LYS A 26 -49.766 -21.022 -1.763 1.00 0.00 N ATOM 396 CA LYS A 26 -49.397 -21.247 -3.188 1.00 0.00 C ATOM 397 C LYS A 26 -50.618 -21.037 -4.092 1.00 0.00 C ATOM 398 O LYS A 26 -50.507 -20.485 -5.168 1.00 0.00 O ATOM 399 CB LYS A 26 -48.880 -22.676 -3.357 1.00 0.00 C ATOM 400 CG LYS A 26 -47.846 -22.975 -2.270 1.00 0.00 C ATOM 401 CD LYS A 26 -46.737 -23.857 -2.848 1.00 0.00 C ATOM 402 CE LYS A 26 -45.474 -23.714 -1.995 1.00 0.00 C ATOM 403 NZ LYS A 26 -44.491 -24.765 -2.384 1.00 0.00 N ATOM 0 H LYS A 26 -49.676 -21.839 -1.159 1.00 0.00 H new ATOM 0 HA LYS A 26 -48.621 -20.536 -3.471 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -49.707 -23.383 -3.292 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -48.432 -22.798 -4.343 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -47.424 -22.045 -1.889 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -48.323 -23.477 -1.428 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -47.059 -24.898 -2.868 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -46.528 -23.568 -3.878 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -45.039 -22.724 -2.134 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -45.723 -23.807 -0.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -43.632 -24.669 -1.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -44.909 -25.705 -2.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -44.245 -24.656 -3.389 1.00 0.00 H new ATOM 417 N PRO A 27 -51.809 -21.491 -3.656 1.00 0.00 N ATOM 418 CA PRO A 27 -53.039 -21.348 -4.447 1.00 0.00 C ATOM 419 C PRO A 27 -53.463 -19.884 -4.586 1.00 0.00 C ATOM 420 O PRO A 27 -54.114 -19.506 -5.540 1.00 0.00 O ATOM 421 CB PRO A 27 -54.078 -22.131 -3.644 1.00 0.00 C ATOM 422 CG PRO A 27 -53.555 -22.121 -2.249 1.00 0.00 C ATOM 423 CD PRO A 27 -52.059 -22.170 -2.370 1.00 0.00 C ATOM 0 HA PRO A 27 -52.914 -21.712 -5.467 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -55.061 -21.663 -3.703 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -54.186 -23.148 -4.020 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -53.875 -21.224 -1.718 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -53.929 -22.975 -1.685 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -51.570 -21.658 -1.541 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -51.688 -23.195 -2.375 1.00 0.00 H new ATOM 431 N CYS A 28 -53.092 -19.052 -3.651 1.00 0.00 N ATOM 432 CA CYS A 28 -53.469 -17.615 -3.749 1.00 0.00 C ATOM 433 C CYS A 28 -52.594 -16.948 -4.810 1.00 0.00 C ATOM 434 O CYS A 28 -53.082 -16.313 -5.725 1.00 0.00 O ATOM 435 CB CYS A 28 -53.248 -16.929 -2.400 1.00 0.00 C ATOM 436 SG CYS A 28 -54.831 -16.775 -1.535 1.00 0.00 S ATOM 0 H CYS A 28 -52.546 -19.305 -2.827 1.00 0.00 H new ATOM 0 HA CYS A 28 -54.520 -17.528 -4.024 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -52.547 -17.506 -1.797 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -52.805 -15.944 -2.549 1.00 0.00 H new ATOM 441 N GLU A 29 -51.302 -17.097 -4.699 1.00 0.00 N ATOM 442 CA GLU A 29 -50.395 -16.482 -5.707 1.00 0.00 C ATOM 443 C GLU A 29 -50.668 -17.112 -7.074 1.00 0.00 C ATOM 444 O GLU A 29 -50.693 -16.441 -8.085 1.00 0.00 O ATOM 445 CB GLU A 29 -48.940 -16.738 -5.309 1.00 0.00 C ATOM 446 CG GLU A 29 -48.039 -15.693 -5.970 1.00 0.00 C ATOM 447 CD GLU A 29 -46.573 -16.071 -5.749 1.00 0.00 C ATOM 448 OE1 GLU A 29 -46.324 -16.954 -4.945 1.00 0.00 O ATOM 449 OE2 GLU A 29 -45.724 -15.472 -6.388 1.00 0.00 O ATOM 0 H GLU A 29 -50.837 -17.617 -3.955 1.00 0.00 H new ATOM 0 HA GLU A 29 -50.572 -15.407 -5.754 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -48.835 -16.691 -4.225 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -48.639 -17.740 -5.616 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -48.254 -15.635 -7.037 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -48.239 -14.707 -5.550 1.00 0.00 H new ATOM 456 N GLN A 30 -50.875 -18.400 -7.107 1.00 0.00 N ATOM 457 CA GLN A 30 -51.150 -19.079 -8.405 1.00 0.00 C ATOM 458 C GLN A 30 -52.518 -18.643 -8.929 1.00 0.00 C ATOM 459 O GLN A 30 -52.796 -18.725 -10.109 1.00 0.00 O ATOM 460 CB GLN A 30 -51.141 -20.595 -8.198 1.00 0.00 C ATOM 461 CG GLN A 30 -51.370 -21.294 -9.539 1.00 0.00 C ATOM 462 CD GLN A 30 -51.643 -22.781 -9.301 1.00 0.00 C ATOM 463 OE1 GLN A 30 -52.565 -23.135 -8.593 1.00 0.00 O ATOM 464 NE2 GLN A 30 -50.875 -23.672 -9.865 1.00 0.00 N ATOM 0 H GLN A 30 -50.866 -19.012 -6.291 1.00 0.00 H new ATOM 0 HA GLN A 30 -50.382 -18.806 -9.128 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -50.189 -20.909 -7.770 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -51.918 -20.881 -7.489 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -52.212 -20.838 -10.060 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -50.496 -21.172 -10.179 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -50.101 -23.375 -10.459 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -51.049 -24.665 -9.712 1.00 0.00 H new ATOM 473 N HIS A 31 -53.378 -18.180 -8.062 1.00 0.00 N ATOM 474 CA HIS A 31 -54.726 -17.739 -8.516 1.00 0.00 C ATOM 475 C HIS A 31 -54.577 -16.428 -9.287 1.00 0.00 C ATOM 476 O HIS A 31 -55.188 -16.225 -10.316 1.00 0.00 O ATOM 477 CB HIS A 31 -55.633 -17.538 -7.292 1.00 0.00 C ATOM 478 CG HIS A 31 -56.284 -16.180 -7.337 1.00 0.00 C ATOM 479 ND1 HIS A 31 -55.908 -14.965 -6.821 1.00 0.00 N flip ATOM 480 CD2 HIS A 31 -57.490 -15.960 -7.985 1.00 0.00 C flip ATOM 481 CE1 HIS A 31 -56.864 -14.005 -7.139 1.00 0.00 C flip ATOM 482 NE2 HIS A 31 -57.795 -14.658 -7.840 1.00 0.00 N flip ATOM 0 H HIS A 31 -53.205 -18.089 -7.061 1.00 0.00 H new ATOM 0 HA HIS A 31 -55.174 -18.492 -9.165 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -56.398 -18.314 -7.267 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -55.048 -17.638 -6.378 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -55.057 -14.792 -6.286 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -58.077 -16.699 -8.510 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -56.855 -12.958 -6.876 1.00 0.00 H new ATOM 490 N ILE A 32 -53.759 -15.544 -8.794 1.00 0.00 N ATOM 491 CA ILE A 32 -53.553 -14.247 -9.490 1.00 0.00 C ATOM 492 C ILE A 32 -52.767 -14.495 -10.782 1.00 0.00 C ATOM 493 O ILE A 32 -53.030 -13.895 -11.805 1.00 0.00 O ATOM 494 CB ILE A 32 -52.771 -13.306 -8.565 1.00 0.00 C ATOM 495 CG1 ILE A 32 -53.646 -12.111 -8.194 1.00 0.00 C ATOM 496 CG2 ILE A 32 -51.502 -12.811 -9.260 1.00 0.00 C ATOM 497 CD1 ILE A 32 -53.785 -12.043 -6.674 1.00 0.00 C ATOM 0 H ILE A 32 -53.222 -15.665 -7.935 1.00 0.00 H new ATOM 0 HA ILE A 32 -54.511 -13.791 -9.737 1.00 0.00 H new ATOM 0 HB ILE A 32 -52.491 -13.851 -7.664 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -53.203 -11.190 -8.572 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -54.628 -12.206 -8.657 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -50.957 -12.144 -8.591 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -50.872 -13.663 -9.516 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -51.771 -12.273 -10.169 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -54.409 -11.191 -6.403 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -54.246 -12.961 -6.309 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -52.799 -11.928 -6.223 1.00 0.00 H new ATOM 509 N MET A 33 -51.802 -15.371 -10.737 1.00 0.00 N ATOM 510 CA MET A 33 -50.995 -15.657 -11.955 1.00 0.00 C ATOM 511 C MET A 33 -51.909 -16.163 -13.073 1.00 0.00 C ATOM 512 O MET A 33 -51.753 -15.807 -14.224 1.00 0.00 O ATOM 513 CB MET A 33 -49.948 -16.725 -11.634 1.00 0.00 C ATOM 514 CG MET A 33 -48.937 -16.167 -10.631 1.00 0.00 C ATOM 515 SD MET A 33 -47.378 -17.076 -10.777 1.00 0.00 S ATOM 516 CE MET A 33 -46.420 -16.071 -9.618 1.00 0.00 C ATOM 0 H MET A 33 -51.537 -15.902 -9.907 1.00 0.00 H new ATOM 0 HA MET A 33 -50.498 -14.743 -12.280 1.00 0.00 H new ATOM 0 HB2 MET A 33 -50.432 -17.611 -11.223 1.00 0.00 H new ATOM 0 HB3 MET A 33 -49.438 -17.034 -12.546 1.00 0.00 H new ATOM 0 HG2 MET A 33 -48.771 -15.106 -10.818 1.00 0.00 H new ATOM 0 HG3 MET A 33 -49.328 -16.255 -9.617 1.00 0.00 H new ATOM 0 HE1 MET A 33 -45.479 -15.778 -10.083 1.00 0.00 H new ATOM 0 HE2 MET A 33 -46.988 -15.179 -9.354 1.00 0.00 H new ATOM 0 HE3 MET A 33 -46.215 -16.650 -8.717 1.00 0.00 H new ATOM 526 N GLN A 34 -52.856 -16.998 -12.744 1.00 0.00 N ATOM 527 CA GLN A 34 -53.774 -17.536 -13.788 1.00 0.00 C ATOM 528 C GLN A 34 -54.661 -16.413 -14.332 1.00 0.00 C ATOM 529 O GLN A 34 -54.807 -16.251 -15.526 1.00 0.00 O ATOM 530 CB GLN A 34 -54.651 -18.629 -13.177 1.00 0.00 C ATOM 531 CG GLN A 34 -53.787 -19.845 -12.838 1.00 0.00 C ATOM 532 CD GLN A 34 -54.596 -20.828 -11.991 1.00 0.00 C ATOM 533 OE1 GLN A 34 -55.650 -20.492 -11.489 1.00 0.00 O ATOM 534 NE2 GLN A 34 -54.145 -22.039 -11.810 1.00 0.00 N ATOM 0 H GLN A 34 -53.034 -17.331 -11.797 1.00 0.00 H new ATOM 0 HA GLN A 34 -53.185 -17.952 -14.605 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -55.142 -18.256 -12.278 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -55.438 -18.912 -13.876 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -53.449 -20.330 -13.754 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -52.895 -19.531 -12.296 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -53.260 -22.322 -12.231 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -54.677 -22.703 -11.247 1.00 0.00 H new ATOM 543 N ARG A 35 -55.262 -15.641 -13.469 1.00 0.00 N ATOM 544 CA ARG A 35 -56.143 -14.538 -13.946 1.00 0.00 C ATOM 545 C ARG A 35 -55.394 -13.679 -14.969 1.00 0.00 C ATOM 546 O ARG A 35 -55.812 -13.538 -16.100 1.00 0.00 O ATOM 547 CB ARG A 35 -56.556 -13.667 -12.757 1.00 0.00 C ATOM 548 CG ARG A 35 -57.629 -14.392 -11.943 1.00 0.00 C ATOM 549 CD ARG A 35 -58.138 -13.471 -10.833 1.00 0.00 C ATOM 550 NE ARG A 35 -59.061 -12.456 -11.413 1.00 0.00 N ATOM 551 CZ ARG A 35 -60.045 -11.985 -10.697 1.00 0.00 C ATOM 552 NH1 ARG A 35 -60.949 -12.796 -10.217 1.00 0.00 N ATOM 553 NH2 ARG A 35 -60.127 -10.705 -10.462 1.00 0.00 N ATOM 0 H ARG A 35 -55.181 -15.726 -12.456 1.00 0.00 H new ATOM 0 HA ARG A 35 -57.030 -14.964 -14.415 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -55.690 -13.455 -12.130 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -56.937 -12.709 -13.109 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -58.454 -14.688 -12.591 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -57.218 -15.305 -11.512 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -58.655 -14.054 -10.071 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -57.299 -12.977 -10.343 1.00 0.00 H new ATOM 0 HE ARG A 35 -58.924 -12.129 -12.369 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -60.886 -13.797 -10.402 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -61.718 -12.428 -9.657 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -59.422 -10.071 -10.838 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -60.896 -10.338 -9.902 1.00 0.00 H new ATOM 567 N ILE A 36 -54.294 -13.097 -14.577 1.00 0.00 N ATOM 568 CA ILE A 36 -53.523 -12.241 -15.522 1.00 0.00 C ATOM 569 C ILE A 36 -53.309 -12.984 -16.844 1.00 0.00 C ATOM 570 O ILE A 36 -53.158 -12.378 -17.887 1.00 0.00 O ATOM 571 CB ILE A 36 -52.166 -11.896 -14.907 1.00 0.00 C ATOM 572 CG1 ILE A 36 -51.494 -13.171 -14.398 1.00 0.00 C ATOM 573 CG2 ILE A 36 -52.368 -10.927 -13.741 1.00 0.00 C ATOM 574 CD1 ILE A 36 -50.295 -12.799 -13.523 1.00 0.00 C ATOM 0 H ILE A 36 -53.895 -13.178 -13.642 1.00 0.00 H new ATOM 0 HA ILE A 36 -54.083 -11.325 -15.712 1.00 0.00 H new ATOM 0 HB ILE A 36 -51.534 -11.431 -15.663 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -52.205 -13.766 -13.825 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -51.169 -13.784 -15.238 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -51.402 -10.680 -13.301 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -52.845 -10.016 -14.103 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -53.001 -11.393 -12.986 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -49.814 -13.707 -13.159 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -49.581 -12.221 -14.110 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -50.634 -12.203 -12.675 1.00 0.00 H new ATOM 586 N MET A 37 -53.291 -14.288 -16.813 1.00 0.00 N ATOM 587 CA MET A 37 -53.082 -15.059 -18.072 1.00 0.00 C ATOM 588 C MET A 37 -53.922 -14.443 -19.195 1.00 0.00 C ATOM 589 O MET A 37 -53.584 -14.539 -20.358 1.00 0.00 O ATOM 590 CB MET A 37 -53.505 -16.514 -17.861 1.00 0.00 C ATOM 591 CG MET A 37 -52.626 -17.150 -16.783 1.00 0.00 C ATOM 592 SD MET A 37 -50.888 -17.027 -17.273 1.00 0.00 S ATOM 593 CE MET A 37 -51.043 -17.876 -18.864 1.00 0.00 C ATOM 0 H MET A 37 -53.412 -14.853 -15.972 1.00 0.00 H new ATOM 0 HA MET A 37 -52.027 -15.024 -18.344 1.00 0.00 H new ATOM 0 HB2 MET A 37 -54.553 -16.560 -17.564 1.00 0.00 H new ATOM 0 HB3 MET A 37 -53.413 -17.069 -18.794 1.00 0.00 H new ATOM 0 HG2 MET A 37 -52.782 -16.648 -15.828 1.00 0.00 H new ATOM 0 HG3 MET A 37 -52.902 -18.195 -16.643 1.00 0.00 H new ATOM 0 HE1 MET A 37 -50.081 -18.308 -19.141 1.00 0.00 H new ATOM 0 HE2 MET A 37 -51.787 -18.669 -18.783 1.00 0.00 H new ATOM 0 HE3 MET A 37 -51.354 -17.163 -19.628 1.00 0.00 H new ATOM 603 N GLY A 38 -55.013 -13.814 -18.856 1.00 0.00 N ATOM 604 CA GLY A 38 -55.871 -13.194 -19.905 1.00 0.00 C ATOM 605 C GLY A 38 -56.726 -14.277 -20.568 1.00 0.00 C ATOM 606 O GLY A 38 -57.932 -14.300 -20.430 1.00 0.00 O ATOM 0 H GLY A 38 -55.348 -13.702 -17.899 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -56.511 -12.430 -19.463 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -55.251 -12.697 -20.651 1.00 0.00 H new ATOM 865 N ASP A 55 -62.427 -18.094 -5.776 1.00 0.00 N ATOM 866 CA ASP A 55 -62.710 -19.165 -4.780 1.00 0.00 C ATOM 867 C ASP A 55 -61.404 -19.607 -4.119 1.00 0.00 C ATOM 868 O ASP A 55 -61.388 -20.048 -2.987 1.00 0.00 O ATOM 869 CB ASP A 55 -63.355 -20.360 -5.486 1.00 0.00 C ATOM 870 CG ASP A 55 -64.775 -19.991 -5.921 1.00 0.00 C ATOM 871 OD1 ASP A 55 -65.239 -18.936 -5.522 1.00 0.00 O ATOM 872 OD2 ASP A 55 -65.372 -20.769 -6.646 1.00 0.00 O ATOM 0 HA ASP A 55 -63.390 -18.782 -4.019 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -62.761 -20.647 -6.353 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -63.380 -21.221 -4.818 1.00 0.00 H new ATOM 877 N GLN A 56 -60.306 -19.491 -4.815 1.00 0.00 N ATOM 878 CA GLN A 56 -59.002 -19.905 -4.225 1.00 0.00 C ATOM 879 C GLN A 56 -58.580 -18.891 -3.161 1.00 0.00 C ATOM 880 O GLN A 56 -58.116 -19.249 -2.098 1.00 0.00 O ATOM 881 CB GLN A 56 -57.941 -19.966 -5.325 1.00 0.00 C ATOM 882 CG GLN A 56 -58.204 -21.180 -6.218 1.00 0.00 C ATOM 883 CD GLN A 56 -57.096 -21.291 -7.268 1.00 0.00 C ATOM 884 OE1 GLN A 56 -56.268 -20.409 -7.390 1.00 0.00 O ATOM 885 NE2 GLN A 56 -57.044 -22.346 -8.034 1.00 0.00 N ATOM 0 H GLN A 56 -60.256 -19.127 -5.767 1.00 0.00 H new ATOM 0 HA GLN A 56 -59.105 -20.889 -3.767 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -57.964 -19.052 -5.919 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -56.947 -20.034 -4.883 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -58.240 -22.087 -5.615 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -59.174 -21.083 -6.706 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -57.739 -23.086 -7.931 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -56.308 -22.431 -8.736 1.00 0.00 H new ATOM 894 N GLN A 57 -58.740 -17.626 -3.439 1.00 0.00 N ATOM 895 CA GLN A 57 -58.349 -16.590 -2.442 1.00 0.00 C ATOM 896 C GLN A 57 -59.203 -16.753 -1.182 1.00 0.00 C ATOM 897 O GLN A 57 -58.763 -16.482 -0.083 1.00 0.00 O ATOM 898 CB GLN A 57 -58.576 -15.198 -3.034 1.00 0.00 C ATOM 899 CG GLN A 57 -57.617 -14.980 -4.206 1.00 0.00 C ATOM 900 CD GLN A 57 -56.206 -14.730 -3.669 1.00 0.00 C ATOM 901 OE1 GLN A 57 -55.208 -15.421 -4.148 1.00 0.00 O flip ATOM 902 NE2 GLN A 57 -56.011 -13.897 -2.806 1.00 0.00 N flip ATOM 0 H GLN A 57 -59.124 -17.266 -4.312 1.00 0.00 H new ATOM 0 HA GLN A 57 -57.295 -16.708 -2.189 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -59.608 -15.098 -3.371 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -58.415 -14.436 -2.271 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -57.620 -15.852 -4.860 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -57.945 -14.131 -4.806 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -56.792 -13.357 -2.432 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -55.067 -13.737 -2.455 1.00 0.00 H new ATOM 911 N GLN A 58 -60.421 -17.197 -1.334 1.00 0.00 N ATOM 912 CA GLN A 58 -61.299 -17.379 -0.146 1.00 0.00 C ATOM 913 C GLN A 58 -60.566 -18.214 0.903 1.00 0.00 C ATOM 914 O GLN A 58 -60.795 -18.080 2.089 1.00 0.00 O ATOM 915 CB GLN A 58 -62.583 -18.098 -0.566 1.00 0.00 C ATOM 916 CG GLN A 58 -63.479 -17.132 -1.342 1.00 0.00 C ATOM 917 CD GLN A 58 -64.844 -17.782 -1.581 1.00 0.00 C ATOM 918 OE1 GLN A 58 -65.017 -18.961 -1.346 1.00 0.00 O ATOM 919 NE2 GLN A 58 -65.827 -17.057 -2.039 1.00 0.00 N ATOM 0 H GLN A 58 -60.845 -17.441 -2.229 1.00 0.00 H new ATOM 0 HA GLN A 58 -61.550 -16.405 0.275 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -62.342 -18.963 -1.184 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -63.108 -18.471 0.314 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -63.599 -16.203 -0.784 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -63.015 -16.874 -2.294 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -65.682 -16.067 -2.236 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -66.741 -17.480 -2.200 1.00 0.00 H new ATOM 928 N ARG A 59 -59.683 -19.077 0.478 1.00 0.00 N ATOM 929 CA ARG A 59 -58.935 -19.919 1.452 1.00 0.00 C ATOM 930 C ARG A 59 -58.011 -19.033 2.286 1.00 0.00 C ATOM 931 O ARG A 59 -58.206 -18.857 3.472 1.00 0.00 O ATOM 932 CB ARG A 59 -58.105 -20.960 0.699 1.00 0.00 C ATOM 933 CG ARG A 59 -59.041 -21.948 0.000 1.00 0.00 C ATOM 934 CD ARG A 59 -58.214 -23.036 -0.689 1.00 0.00 C ATOM 935 NE ARG A 59 -57.759 -24.030 0.324 1.00 0.00 N ATOM 936 CZ ARG A 59 -58.519 -25.046 0.626 1.00 0.00 C ATOM 937 NH1 ARG A 59 -58.400 -26.169 -0.029 1.00 0.00 N ATOM 938 NH2 ARG A 59 -59.399 -24.940 1.584 1.00 0.00 N ATOM 0 H ARG A 59 -59.448 -19.234 -0.502 1.00 0.00 H new ATOM 0 HA ARG A 59 -59.641 -20.427 2.109 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -57.464 -20.469 -0.033 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -57.451 -21.490 1.391 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -59.720 -22.397 0.725 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -59.657 -21.426 -0.732 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -58.810 -23.530 -1.456 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -57.354 -22.592 -1.190 1.00 0.00 H new ATOM 0 HE ARG A 59 -56.854 -23.916 0.781 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -57.712 -26.252 -0.778 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -58.995 -26.963 0.208 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -59.492 -24.063 2.096 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -59.994 -25.734 1.821 1.00 0.00 H new ATOM 952 N CYS A 60 -57.010 -18.470 1.676 1.00 0.00 N ATOM 953 CA CYS A 60 -56.081 -17.590 2.437 1.00 0.00 C ATOM 954 C CYS A 60 -56.903 -16.662 3.328 1.00 0.00 C ATOM 955 O CYS A 60 -56.862 -16.745 4.539 1.00 0.00 O ATOM 956 CB CYS A 60 -55.246 -16.757 1.461 1.00 0.00 C ATOM 957 SG CYS A 60 -54.573 -17.831 0.168 1.00 0.00 S ATOM 0 H CYS A 60 -56.794 -18.580 0.685 1.00 0.00 H new ATOM 0 HA CYS A 60 -55.413 -18.197 3.048 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -55.861 -15.976 1.015 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -54.435 -16.259 1.993 1.00 0.00 H new ATOM 962 N CYS A 61 -57.654 -15.783 2.731 1.00 0.00 N ATOM 963 CA CYS A 61 -58.489 -14.849 3.533 1.00 0.00 C ATOM 964 C CYS A 61 -59.257 -15.640 4.593 1.00 0.00 C ATOM 965 O CYS A 61 -59.383 -15.219 5.726 1.00 0.00 O ATOM 966 CB CYS A 61 -59.480 -14.130 2.615 1.00 0.00 C ATOM 967 SG CYS A 61 -60.292 -12.797 3.531 1.00 0.00 S ATOM 0 H CYS A 61 -57.726 -15.670 1.720 1.00 0.00 H new ATOM 0 HA CYS A 61 -57.848 -14.113 4.019 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -58.960 -13.725 1.747 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -60.223 -14.834 2.241 1.00 0.00 H new ATOM 972 N ASP A 62 -59.768 -16.785 4.235 1.00 0.00 N ATOM 973 CA ASP A 62 -60.525 -17.602 5.224 1.00 0.00 C ATOM 974 C ASP A 62 -59.669 -17.794 6.474 1.00 0.00 C ATOM 975 O ASP A 62 -60.149 -17.709 7.587 1.00 0.00 O ATOM 976 CB ASP A 62 -60.864 -18.965 4.619 1.00 0.00 C ATOM 977 CG ASP A 62 -62.320 -18.966 4.147 1.00 0.00 C ATOM 978 OD1 ASP A 62 -62.981 -17.957 4.330 1.00 0.00 O ATOM 979 OD2 ASP A 62 -62.748 -19.975 3.610 1.00 0.00 O ATOM 0 H ASP A 62 -59.694 -17.190 3.302 1.00 0.00 H new ATOM 0 HA ASP A 62 -61.451 -17.090 5.487 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -60.199 -19.179 3.782 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -60.710 -19.751 5.358 1.00 0.00 H new ATOM 984 N GLU A 63 -58.403 -18.044 6.300 1.00 0.00 N ATOM 985 CA GLU A 63 -57.513 -18.230 7.479 1.00 0.00 C ATOM 986 C GLU A 63 -57.414 -16.906 8.234 1.00 0.00 C ATOM 987 O GLU A 63 -57.570 -16.852 9.437 1.00 0.00 O ATOM 988 CB GLU A 63 -56.122 -18.661 7.011 1.00 0.00 C ATOM 989 CG GLU A 63 -56.204 -20.051 6.379 1.00 0.00 C ATOM 990 CD GLU A 63 -56.784 -21.040 7.393 1.00 0.00 C ATOM 991 OE1 GLU A 63 -56.714 -20.752 8.577 1.00 0.00 O ATOM 992 OE2 GLU A 63 -57.288 -22.066 6.968 1.00 0.00 O ATOM 0 H GLU A 63 -57.945 -18.128 5.392 1.00 0.00 H new ATOM 0 HA GLU A 63 -57.921 -19.000 8.134 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -55.731 -17.944 6.289 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -55.431 -18.673 7.854 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -56.829 -20.020 5.487 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -55.213 -20.377 6.063 1.00 0.00 H new ATOM 999 N LEU A 64 -57.164 -15.833 7.533 1.00 0.00 N ATOM 1000 CA LEU A 64 -57.065 -14.511 8.208 1.00 0.00 C ATOM 1001 C LEU A 64 -58.377 -14.220 8.936 1.00 0.00 C ATOM 1002 O LEU A 64 -58.447 -13.356 9.788 1.00 0.00 O ATOM 1003 CB LEU A 64 -56.809 -13.423 7.164 1.00 0.00 C ATOM 1004 CG LEU A 64 -55.598 -13.807 6.313 1.00 0.00 C ATOM 1005 CD1 LEU A 64 -55.235 -12.644 5.388 1.00 0.00 C ATOM 1006 CD2 LEU A 64 -54.412 -14.121 7.228 1.00 0.00 C ATOM 0 H LEU A 64 -57.024 -15.817 6.523 1.00 0.00 H new ATOM 0 HA LEU A 64 -56.243 -14.525 8.924 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -57.687 -13.298 6.530 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -56.632 -12.466 7.656 1.00 0.00 H new ATOM 0 HG LEU A 64 -55.838 -14.686 5.714 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -54.372 -12.917 4.781 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -56.080 -12.420 4.737 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -54.994 -11.765 5.986 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -53.548 -14.395 6.623 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -54.172 -13.242 7.827 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -54.670 -14.950 7.887 1.00 0.00 H new ATOM 1018 N ASN A 65 -59.418 -14.941 8.613 1.00 0.00 N ATOM 1019 CA ASN A 65 -60.721 -14.708 9.295 1.00 0.00 C ATOM 1020 C ASN A 65 -60.595 -15.120 10.762 1.00 0.00 C ATOM 1021 O ASN A 65 -61.167 -14.507 11.642 1.00 0.00 O ATOM 1022 CB ASN A 65 -61.809 -15.544 8.619 1.00 0.00 C ATOM 1023 CG ASN A 65 -63.175 -15.167 9.199 1.00 0.00 C ATOM 1024 OD1 ASN A 65 -63.267 -14.325 10.069 1.00 0.00 O ATOM 1025 ND2 ASN A 65 -64.246 -15.761 8.750 1.00 0.00 N ATOM 0 H ASN A 65 -59.421 -15.679 7.908 1.00 0.00 H new ATOM 0 HA ASN A 65 -60.988 -13.653 9.230 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -61.799 -15.372 7.543 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -61.616 -16.606 8.774 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -65.161 -15.518 9.130 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -64.168 -16.468 8.019 1.00 0.00 H new ATOM 1032 N GLU A 66 -59.843 -16.151 11.030 1.00 0.00 N ATOM 1033 CA GLU A 66 -59.670 -16.601 12.440 1.00 0.00 C ATOM 1034 C GLU A 66 -58.585 -15.756 13.108 1.00 0.00 C ATOM 1035 O GLU A 66 -58.723 -15.328 14.238 1.00 0.00 O ATOM 1036 CB GLU A 66 -59.257 -18.074 12.460 1.00 0.00 C ATOM 1037 CG GLU A 66 -59.029 -18.520 13.906 1.00 0.00 C ATOM 1038 CD GLU A 66 -58.396 -19.913 13.916 1.00 0.00 C ATOM 1039 OE1 GLU A 66 -58.092 -20.412 12.846 1.00 0.00 O ATOM 1040 OE2 GLU A 66 -58.228 -20.457 14.995 1.00 0.00 O ATOM 0 H GLU A 66 -59.341 -16.702 10.334 1.00 0.00 H new ATOM 0 HA GLU A 66 -60.610 -16.483 12.980 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -60.031 -18.686 11.997 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -58.347 -18.216 11.877 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -58.380 -17.810 14.419 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -59.975 -18.535 14.447 1.00 0.00 H new ATOM 1093 N THR A 70 -54.257 -10.770 12.935 1.00 0.00 N ATOM 1094 CA THR A 70 -53.136 -10.889 11.960 1.00 0.00 C ATOM 1095 C THR A 70 -52.843 -9.517 11.350 1.00 0.00 C ATOM 1096 O THR A 70 -53.139 -9.262 10.200 1.00 0.00 O ATOM 1097 CB THR A 70 -53.527 -11.869 10.850 1.00 0.00 C ATOM 1098 OG1 THR A 70 -52.427 -12.046 9.969 1.00 0.00 O ATOM 1099 CG2 THR A 70 -54.721 -11.311 10.073 1.00 0.00 C ATOM 0 HA THR A 70 -52.246 -11.256 12.472 1.00 0.00 H new ATOM 0 HB THR A 70 -53.799 -12.829 11.290 1.00 0.00 H new ATOM 0 HG1 THR A 70 -52.615 -12.787 9.356 1.00 0.00 H new ATOM 0 HG21 THR A 70 -54.999 -12.009 9.283 1.00 0.00 H new ATOM 0 HG22 THR A 70 -55.564 -11.175 10.750 1.00 0.00 H new ATOM 0 HG23 THR A 70 -54.452 -10.352 9.631 1.00 0.00 H new ATOM 1107 N GLN A 71 -52.265 -8.630 12.114 1.00 0.00 N ATOM 1108 CA GLN A 71 -51.953 -7.275 11.577 1.00 0.00 C ATOM 1109 C GLN A 71 -50.465 -6.981 11.769 1.00 0.00 C ATOM 1110 O GLN A 71 -49.811 -7.561 12.613 1.00 0.00 O ATOM 1111 CB GLN A 71 -52.780 -6.228 12.326 1.00 0.00 C ATOM 1112 CG GLN A 71 -54.257 -6.388 11.962 1.00 0.00 C ATOM 1113 CD GLN A 71 -55.085 -5.345 12.715 1.00 0.00 C ATOM 1114 OE1 GLN A 71 -54.605 -4.727 13.644 1.00 0.00 O ATOM 1115 NE2 GLN A 71 -56.317 -5.120 12.349 1.00 0.00 N ATOM 0 H GLN A 71 -51.996 -8.785 13.086 1.00 0.00 H new ATOM 0 HA GLN A 71 -52.196 -7.240 10.515 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -52.645 -6.344 13.401 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -52.437 -5.226 12.068 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -54.392 -6.268 10.887 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -54.598 -7.391 12.216 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -56.720 -5.639 11.569 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -56.877 -4.425 12.843 1.00 0.00 H new ATOM 1124 N GLY A 72 -49.922 -6.085 10.990 1.00 0.00 N ATOM 1125 CA GLY A 72 -48.476 -5.754 11.129 1.00 0.00 C ATOM 1126 C GLY A 72 -47.655 -6.682 10.231 1.00 0.00 C ATOM 1127 O GLY A 72 -47.153 -6.279 9.200 1.00 0.00 O ATOM 0 H GLY A 72 -50.418 -5.568 10.264 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -48.301 -4.714 10.853 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -48.164 -5.865 12.168 1.00 0.00 H new ATOM 1131 N CYS A 73 -47.511 -7.921 10.615 1.00 0.00 N ATOM 1132 CA CYS A 73 -46.721 -8.871 9.784 1.00 0.00 C ATOM 1133 C CYS A 73 -47.431 -9.090 8.445 1.00 0.00 C ATOM 1134 O CYS A 73 -46.884 -9.673 7.531 1.00 0.00 O ATOM 1135 CB CYS A 73 -46.593 -10.207 10.519 1.00 0.00 C ATOM 1136 SG CYS A 73 -45.367 -10.053 11.842 1.00 0.00 S ATOM 0 H CYS A 73 -47.907 -8.316 11.468 1.00 0.00 H new ATOM 0 HA CYS A 73 -45.728 -8.459 9.605 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -47.557 -10.499 10.935 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -46.295 -10.991 9.822 1.00 0.00 H new ATOM 1141 N MET A 74 -48.645 -8.626 8.324 1.00 0.00 N ATOM 1142 CA MET A 74 -49.387 -8.808 7.044 1.00 0.00 C ATOM 1143 C MET A 74 -48.453 -8.513 5.868 1.00 0.00 C ATOM 1144 O MET A 74 -48.320 -9.305 4.956 1.00 0.00 O ATOM 1145 CB MET A 74 -50.577 -7.846 7.003 1.00 0.00 C ATOM 1146 CG MET A 74 -51.592 -8.243 8.077 1.00 0.00 C ATOM 1147 SD MET A 74 -53.144 -7.354 7.797 1.00 0.00 S ATOM 1148 CE MET A 74 -53.798 -8.440 6.505 1.00 0.00 C ATOM 0 H MET A 74 -49.154 -8.129 9.055 1.00 0.00 H new ATOM 0 HA MET A 74 -49.747 -9.835 6.975 1.00 0.00 H new ATOM 0 HB2 MET A 74 -50.237 -6.824 7.169 1.00 0.00 H new ATOM 0 HB3 MET A 74 -51.045 -7.871 6.019 1.00 0.00 H new ATOM 0 HG2 MET A 74 -51.766 -9.319 8.048 1.00 0.00 H new ATOM 0 HG3 MET A 74 -51.200 -8.010 9.067 1.00 0.00 H new ATOM 0 HE1 MET A 74 -54.183 -7.837 5.683 1.00 0.00 H new ATOM 0 HE2 MET A 74 -53.003 -9.088 6.137 1.00 0.00 H new ATOM 0 HE3 MET A 74 -54.603 -9.050 6.915 1.00 0.00 H new ATOM 1158 N CYS A 75 -47.805 -7.381 5.883 1.00 0.00 N ATOM 1159 CA CYS A 75 -46.879 -7.036 4.767 1.00 0.00 C ATOM 1160 C CYS A 75 -45.926 -8.207 4.518 1.00 0.00 C ATOM 1161 O CYS A 75 -45.728 -8.631 3.396 1.00 0.00 O ATOM 1162 CB CYS A 75 -46.074 -5.791 5.139 1.00 0.00 C ATOM 1163 SG CYS A 75 -47.093 -4.317 4.891 1.00 0.00 S ATOM 0 H CYS A 75 -47.877 -6.679 6.620 1.00 0.00 H new ATOM 0 HA CYS A 75 -47.455 -6.837 3.863 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -45.750 -5.851 6.178 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -45.174 -5.731 4.527 1.00 0.00 H new ATOM 0 HG CYS A 75 -46.409 -3.258 5.210 1.00 0.00 H new ATOM 1168 N GLU A 76 -45.335 -8.734 5.555 1.00 0.00 N ATOM 1169 CA GLU A 76 -44.398 -9.879 5.375 1.00 0.00 C ATOM 1170 C GLU A 76 -45.159 -11.064 4.780 1.00 0.00 C ATOM 1171 O GLU A 76 -44.575 -11.979 4.232 1.00 0.00 O ATOM 1172 CB GLU A 76 -43.812 -10.276 6.732 1.00 0.00 C ATOM 1173 CG GLU A 76 -42.990 -9.115 7.292 1.00 0.00 C ATOM 1174 CD GLU A 76 -42.197 -9.590 8.512 1.00 0.00 C ATOM 1175 OE1 GLU A 76 -42.256 -10.773 8.807 1.00 0.00 O ATOM 1176 OE2 GLU A 76 -41.546 -8.765 9.130 1.00 0.00 O ATOM 0 H GLU A 76 -45.460 -8.422 6.518 1.00 0.00 H new ATOM 0 HA GLU A 76 -43.590 -9.590 4.703 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -44.613 -10.535 7.424 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -43.185 -11.161 6.624 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -42.310 -8.736 6.529 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -43.648 -8.292 7.571 1.00 0.00 H new ATOM 1183 N ALA A 77 -46.460 -11.051 4.876 1.00 0.00 N ATOM 1184 CA ALA A 77 -47.259 -12.173 4.310 1.00 0.00 C ATOM 1185 C ALA A 77 -47.342 -12.012 2.793 1.00 0.00 C ATOM 1186 O ALA A 77 -47.012 -12.910 2.044 1.00 0.00 O ATOM 1187 CB ALA A 77 -48.667 -12.150 4.907 1.00 0.00 C ATOM 0 H ALA A 77 -47.004 -10.312 5.322 1.00 0.00 H new ATOM 0 HA ALA A 77 -46.782 -13.123 4.552 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -49.251 -12.971 4.492 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -48.605 -12.259 5.990 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -49.149 -11.203 4.665 1.00 0.00 H new ATOM 1193 N LEU A 78 -47.773 -10.870 2.332 1.00 0.00 N ATOM 1194 CA LEU A 78 -47.865 -10.653 0.861 1.00 0.00 C ATOM 1195 C LEU A 78 -46.468 -10.777 0.253 1.00 0.00 C ATOM 1196 O LEU A 78 -46.283 -11.369 -0.793 1.00 0.00 O ATOM 1197 CB LEU A 78 -48.424 -9.257 0.582 1.00 0.00 C ATOM 1198 CG LEU A 78 -48.912 -9.183 -0.867 1.00 0.00 C ATOM 1199 CD1 LEU A 78 -47.717 -9.321 -1.812 1.00 0.00 C ATOM 1200 CD2 LEU A 78 -49.905 -10.316 -1.129 1.00 0.00 C ATOM 0 H LEU A 78 -48.064 -10.080 2.908 1.00 0.00 H new ATOM 0 HA LEU A 78 -48.527 -11.397 0.419 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -49.245 -9.039 1.265 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -47.655 -8.504 0.757 1.00 0.00 H new ATOM 0 HG LEU A 78 -49.403 -8.225 -1.039 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -48.062 -9.269 -2.845 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -47.010 -8.513 -1.624 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -47.227 -10.280 -1.641 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -50.253 -10.264 -2.161 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -49.416 -11.275 -0.959 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -50.755 -10.218 -0.454 1.00 0.00 H new ATOM 1212 N GLN A 79 -45.480 -10.226 0.904 1.00 0.00 N ATOM 1213 CA GLN A 79 -44.094 -10.315 0.369 1.00 0.00 C ATOM 1214 C GLN A 79 -43.704 -11.786 0.225 1.00 0.00 C ATOM 1215 O GLN A 79 -43.072 -12.180 -0.735 1.00 0.00 O ATOM 1216 CB GLN A 79 -43.127 -9.623 1.333 1.00 0.00 C ATOM 1217 CG GLN A 79 -43.459 -8.131 1.404 1.00 0.00 C ATOM 1218 CD GLN A 79 -42.511 -7.444 2.387 1.00 0.00 C ATOM 1219 OE1 GLN A 79 -41.848 -8.098 3.169 1.00 0.00 O ATOM 1220 NE2 GLN A 79 -42.416 -6.142 2.383 1.00 0.00 N ATOM 0 H GLN A 79 -45.574 -9.718 1.784 1.00 0.00 H new ATOM 0 HA GLN A 79 -44.046 -9.825 -0.604 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -43.202 -10.071 2.324 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -42.100 -9.762 0.997 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -43.366 -7.679 0.416 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -44.492 -7.992 1.722 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -42.971 -5.592 1.728 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -41.786 -5.675 3.035 1.00 0.00 H new ATOM 1229 N GLN A 80 -44.083 -12.602 1.169 1.00 0.00 N ATOM 1230 CA GLN A 80 -43.740 -14.048 1.083 1.00 0.00 C ATOM 1231 C GLN A 80 -44.341 -14.630 -0.196 1.00 0.00 C ATOM 1232 O GLN A 80 -43.685 -15.335 -0.937 1.00 0.00 O ATOM 1233 CB GLN A 80 -44.311 -14.783 2.297 1.00 0.00 C ATOM 1234 CG GLN A 80 -43.873 -16.249 2.259 1.00 0.00 C ATOM 1235 CD GLN A 80 -44.689 -17.051 3.275 1.00 0.00 C ATOM 1236 OE1 GLN A 80 -45.903 -17.015 3.262 1.00 0.00 O ATOM 1237 NE2 GLN A 80 -44.067 -17.781 4.160 1.00 0.00 N ATOM 0 H GLN A 80 -44.615 -12.330 1.996 1.00 0.00 H new ATOM 0 HA GLN A 80 -42.657 -14.168 1.067 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -43.964 -14.312 3.217 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -45.399 -14.717 2.297 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -44.016 -16.657 1.258 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -42.810 -16.328 2.486 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -43.047 -17.811 4.171 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -44.600 -18.322 4.841 1.00 0.00 H new ATOM 1246 N ILE A 81 -45.583 -14.336 -0.466 1.00 0.00 N ATOM 1247 CA ILE A 81 -46.222 -14.866 -1.702 1.00 0.00 C ATOM 1248 C ILE A 81 -45.332 -14.542 -2.903 1.00 0.00 C ATOM 1249 O ILE A 81 -44.844 -15.422 -3.585 1.00 0.00 O ATOM 1250 CB ILE A 81 -47.594 -14.215 -1.889 1.00 0.00 C ATOM 1251 CG1 ILE A 81 -48.507 -14.603 -0.724 1.00 0.00 C ATOM 1252 CG2 ILE A 81 -48.211 -14.695 -3.202 1.00 0.00 C ATOM 1253 CD1 ILE A 81 -49.946 -14.193 -1.048 1.00 0.00 C ATOM 0 H ILE A 81 -46.183 -13.751 0.116 1.00 0.00 H new ATOM 0 HA ILE A 81 -46.346 -15.946 -1.618 1.00 0.00 H new ATOM 0 HB ILE A 81 -47.481 -13.131 -1.916 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -48.454 -15.677 -0.548 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -48.175 -14.113 0.192 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -49.188 -14.231 -3.336 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -47.561 -14.418 -4.032 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -48.324 -15.779 -3.176 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -50.598 -14.469 -0.219 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -49.991 -13.115 -1.202 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -50.275 -14.703 -1.953 1.00 0.00 H new ATOM 1265 N MET A 82 -45.111 -13.282 -3.163 1.00 0.00 N ATOM 1266 CA MET A 82 -44.247 -12.902 -4.314 1.00 0.00 C ATOM 1267 C MET A 82 -42.933 -13.678 -4.229 1.00 0.00 C ATOM 1268 O MET A 82 -42.486 -14.272 -5.190 1.00 0.00 O ATOM 1269 CB MET A 82 -43.960 -11.400 -4.264 1.00 0.00 C ATOM 1270 CG MET A 82 -45.261 -10.624 -4.470 1.00 0.00 C ATOM 1271 SD MET A 82 -44.897 -8.855 -4.578 1.00 0.00 S ATOM 1272 CE MET A 82 -44.101 -8.887 -6.203 1.00 0.00 C ATOM 0 H MET A 82 -45.491 -12.501 -2.628 1.00 0.00 H new ATOM 0 HA MET A 82 -44.754 -13.139 -5.249 1.00 0.00 H new ATOM 0 HB2 MET A 82 -43.515 -11.136 -3.305 1.00 0.00 H new ATOM 0 HB3 MET A 82 -43.238 -11.131 -5.035 1.00 0.00 H new ATOM 0 HG2 MET A 82 -45.757 -10.960 -5.380 1.00 0.00 H new ATOM 0 HG3 MET A 82 -45.946 -10.816 -3.644 1.00 0.00 H new ATOM 0 HE1 MET A 82 -44.235 -7.922 -6.693 1.00 0.00 H new ATOM 0 HE2 MET A 82 -43.037 -9.089 -6.083 1.00 0.00 H new ATOM 0 HE3 MET A 82 -44.552 -9.669 -6.814 1.00 0.00 H new ATOM 1282 N GLU A 83 -42.317 -13.685 -3.083 1.00 0.00 N ATOM 1283 CA GLU A 83 -41.036 -14.430 -2.931 1.00 0.00 C ATOM 1284 C GLU A 83 -41.323 -15.930 -2.974 1.00 0.00 C ATOM 1285 O GLU A 83 -40.423 -16.744 -3.060 1.00 0.00 O ATOM 1286 CB GLU A 83 -40.390 -14.070 -1.592 1.00 0.00 C ATOM 1287 CG GLU A 83 -40.026 -12.583 -1.586 1.00 0.00 C ATOM 1288 CD GLU A 83 -38.939 -12.319 -2.629 1.00 0.00 C ATOM 1289 OE1 GLU A 83 -38.410 -13.281 -3.161 1.00 0.00 O ATOM 1290 OE2 GLU A 83 -38.653 -11.160 -2.877 1.00 0.00 O ATOM 0 H GLU A 83 -42.644 -13.207 -2.243 1.00 0.00 H new ATOM 0 HA GLU A 83 -40.357 -14.162 -3.740 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -41.076 -14.291 -0.774 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -39.497 -14.675 -1.432 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -40.908 -11.981 -1.804 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -39.675 -12.288 -0.597 1.00 0.00 H new ATOM 1297 N ASN A 84 -42.571 -16.304 -2.918 1.00 0.00 N ATOM 1298 CA ASN A 84 -42.920 -17.749 -2.959 1.00 0.00 C ATOM 1299 C ASN A 84 -42.923 -18.229 -4.410 1.00 0.00 C ATOM 1300 O ASN A 84 -42.692 -19.390 -4.689 1.00 0.00 O ATOM 1301 CB ASN A 84 -44.307 -17.957 -2.350 1.00 0.00 C ATOM 1302 CG ASN A 84 -44.627 -19.453 -2.307 1.00 0.00 C ATOM 1303 OD1 ASN A 84 -44.053 -20.187 -1.528 1.00 0.00 O ATOM 1304 ND2 ASN A 84 -45.527 -19.938 -3.118 1.00 0.00 N ATOM 0 H ASN A 84 -43.365 -15.668 -2.845 1.00 0.00 H new ATOM 0 HA ASN A 84 -42.185 -18.317 -2.389 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -44.341 -17.538 -1.344 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -45.057 -17.431 -2.940 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -45.748 -20.933 -3.098 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -46.009 -19.322 -3.772 1.00 0.00 H new ATOM 1311 N GLN A 85 -43.185 -17.350 -5.340 1.00 0.00 N ATOM 1312 CA GLN A 85 -43.202 -17.772 -6.770 1.00 0.00 C ATOM 1313 C GLN A 85 -42.841 -16.590 -7.677 1.00 0.00 C ATOM 1314 O GLN A 85 -43.494 -16.343 -8.671 1.00 0.00 O ATOM 1315 CB GLN A 85 -44.599 -18.279 -7.133 1.00 0.00 C ATOM 1316 CG GLN A 85 -44.554 -18.966 -8.499 1.00 0.00 C ATOM 1317 CD GLN A 85 -43.662 -20.206 -8.416 1.00 0.00 C ATOM 1318 OE1 GLN A 85 -43.905 -21.091 -7.620 1.00 0.00 O ATOM 1319 NE2 GLN A 85 -42.633 -20.309 -9.211 1.00 0.00 N ATOM 0 H GLN A 85 -43.387 -16.364 -5.173 1.00 0.00 H new ATOM 0 HA GLN A 85 -42.470 -18.566 -6.913 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -44.952 -18.977 -6.374 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -45.304 -17.448 -7.155 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -45.560 -19.248 -8.809 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -44.170 -18.278 -9.252 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -42.429 -19.566 -9.879 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -42.033 -21.132 -9.164 1.00 0.00 H new ATOM 1328 N CYS A 86 -41.804 -15.863 -7.353 1.00 0.00 N ATOM 1329 CA CYS A 86 -41.412 -14.711 -8.217 1.00 0.00 C ATOM 1330 C CYS A 86 -40.092 -15.030 -8.922 1.00 0.00 C ATOM 1331 O CYS A 86 -39.723 -14.388 -9.886 1.00 0.00 O ATOM 1332 CB CYS A 86 -41.237 -13.455 -7.361 1.00 0.00 C ATOM 1333 SG CYS A 86 -39.934 -13.735 -6.138 1.00 0.00 S ATOM 0 H CYS A 86 -41.216 -16.015 -6.534 1.00 0.00 H new ATOM 0 HA CYS A 86 -42.193 -14.537 -8.957 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -40.981 -12.604 -7.993 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -42.174 -13.210 -6.860 1.00 0.00 H new ATOM 0 HG CYS A 86 -39.784 -12.668 -5.411 1.00 0.00 H new ATOM 1338 N ASP A 87 -39.378 -16.016 -8.451 1.00 0.00 N ATOM 1339 CA ASP A 87 -38.083 -16.373 -9.097 1.00 0.00 C ATOM 1340 C ASP A 87 -38.249 -16.344 -10.618 1.00 0.00 C ATOM 1341 O ASP A 87 -37.474 -15.729 -11.324 1.00 0.00 O ATOM 1342 CB ASP A 87 -37.664 -17.777 -8.656 1.00 0.00 C ATOM 1343 CG ASP A 87 -37.174 -17.731 -7.208 1.00 0.00 C ATOM 1344 OD1 ASP A 87 -37.071 -16.639 -6.672 1.00 0.00 O ATOM 1345 OD2 ASP A 87 -36.910 -18.788 -6.659 1.00 0.00 O ATOM 0 H ASP A 87 -39.635 -16.589 -7.648 1.00 0.00 H new ATOM 0 HA ASP A 87 -37.318 -15.656 -8.801 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -38.506 -18.464 -8.745 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -36.875 -18.154 -9.307 1.00 0.00 H new ATOM 1350 N ARG A 88 -39.253 -17.002 -11.127 1.00 0.00 N ATOM 1351 CA ARG A 88 -39.468 -17.009 -12.601 1.00 0.00 C ATOM 1352 C ARG A 88 -40.603 -16.044 -12.952 1.00 0.00 C ATOM 1353 O ARG A 88 -41.475 -16.356 -13.737 1.00 0.00 O ATOM 1354 CB ARG A 88 -39.842 -18.421 -13.057 1.00 0.00 C ATOM 1355 CG ARG A 88 -38.690 -19.378 -12.745 1.00 0.00 C ATOM 1356 CD ARG A 88 -39.037 -20.778 -13.257 1.00 0.00 C ATOM 1357 NE ARG A 88 -39.004 -20.785 -14.747 1.00 0.00 N ATOM 1358 CZ ARG A 88 -37.907 -21.114 -15.374 1.00 0.00 C ATOM 1359 NH1 ARG A 88 -36.746 -20.832 -14.850 1.00 0.00 N ATOM 1360 NH2 ARG A 88 -37.973 -21.726 -16.524 1.00 0.00 N ATOM 0 H ARG A 88 -39.934 -17.535 -10.586 1.00 0.00 H new ATOM 0 HA ARG A 88 -38.553 -16.696 -13.104 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -40.750 -18.750 -12.551 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -40.054 -18.426 -14.126 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -37.772 -19.025 -13.215 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -38.508 -19.407 -11.671 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -38.328 -21.507 -12.864 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -40.025 -21.072 -12.903 1.00 0.00 H new ATOM 0 HE ARG A 88 -39.838 -20.533 -15.277 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -36.695 -20.354 -13.950 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -35.889 -21.089 -15.340 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -38.881 -21.947 -16.933 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -37.117 -21.983 -17.015 1.00 0.00 H new ATOM 1374 N LEU A 89 -40.598 -14.874 -12.373 1.00 0.00 N ATOM 1375 CA LEU A 89 -41.678 -13.891 -12.672 1.00 0.00 C ATOM 1376 C LEU A 89 -41.912 -13.833 -14.182 1.00 0.00 C ATOM 1377 O LEU A 89 -42.979 -13.480 -14.641 1.00 0.00 O ATOM 1378 CB LEU A 89 -41.265 -12.508 -12.165 1.00 0.00 C ATOM 1379 CG LEU A 89 -42.420 -11.894 -11.370 1.00 0.00 C ATOM 1380 CD1 LEU A 89 -42.092 -10.436 -11.038 1.00 0.00 C ATOM 1381 CD2 LEU A 89 -43.701 -11.950 -12.206 1.00 0.00 C ATOM 0 H LEU A 89 -39.894 -14.557 -11.707 1.00 0.00 H new ATOM 0 HA LEU A 89 -42.597 -14.200 -12.174 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -40.378 -12.589 -11.536 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -41.003 -11.864 -13.004 1.00 0.00 H new ATOM 0 HG LEU A 89 -42.564 -12.454 -10.446 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -42.914 -9.998 -10.472 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -41.179 -10.395 -10.443 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -41.949 -9.876 -11.962 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -44.524 -11.513 -11.640 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -43.557 -11.389 -13.130 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -43.935 -12.988 -12.444 1.00 0.00 H new ATOM 1393 N GLN A 90 -40.922 -14.175 -14.961 1.00 0.00 N ATOM 1394 CA GLN A 90 -41.097 -14.137 -16.438 1.00 0.00 C ATOM 1395 C GLN A 90 -41.193 -12.683 -16.901 1.00 0.00 C ATOM 1396 O GLN A 90 -42.221 -12.047 -16.775 1.00 0.00 O ATOM 1397 CB GLN A 90 -42.378 -14.880 -16.820 1.00 0.00 C ATOM 1398 CG GLN A 90 -42.301 -15.310 -18.286 1.00 0.00 C ATOM 1399 CD GLN A 90 -43.680 -15.779 -18.753 1.00 0.00 C ATOM 1400 OE1 GLN A 90 -44.668 -15.101 -18.545 1.00 0.00 O ATOM 1401 NE2 GLN A 90 -43.791 -16.916 -19.382 1.00 0.00 N ATOM 0 H GLN A 90 -40.003 -14.478 -14.638 1.00 0.00 H new ATOM 0 HA GLN A 90 -40.244 -14.616 -16.918 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -42.509 -15.753 -16.180 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -43.244 -14.237 -16.664 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -41.960 -14.478 -18.903 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -41.573 -16.113 -18.403 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -42.963 -17.485 -19.557 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -44.706 -17.236 -19.699 1.00 0.00 H new ATOM 1410 N ASP A 91 -40.130 -12.153 -17.438 1.00 0.00 N ATOM 1411 CA ASP A 91 -40.159 -10.739 -17.911 1.00 0.00 C ATOM 1412 C ASP A 91 -41.449 -10.486 -18.695 1.00 0.00 C ATOM 1413 O ASP A 91 -41.894 -9.364 -18.828 1.00 0.00 O ATOM 1414 CB ASP A 91 -38.954 -10.482 -18.818 1.00 0.00 C ATOM 1415 CG ASP A 91 -37.665 -10.586 -17.999 1.00 0.00 C ATOM 1416 OD1 ASP A 91 -37.759 -10.598 -16.783 1.00 0.00 O ATOM 1417 OD2 ASP A 91 -36.607 -10.655 -18.602 1.00 0.00 O ATOM 0 H ASP A 91 -39.242 -12.637 -17.570 1.00 0.00 H new ATOM 0 HA ASP A 91 -40.120 -10.069 -17.052 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -38.938 -11.205 -19.633 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -39.031 -9.493 -19.271 1.00 0.00 H new ATOM 1422 N ARG A 92 -42.050 -11.521 -19.219 1.00 0.00 N ATOM 1423 CA ARG A 92 -43.309 -11.340 -19.998 1.00 0.00 C ATOM 1424 C ARG A 92 -44.279 -10.447 -19.218 1.00 0.00 C ATOM 1425 O ARG A 92 -43.989 -10.001 -18.126 1.00 0.00 O ATOM 1426 CB ARG A 92 -43.956 -12.704 -20.241 1.00 0.00 C ATOM 1427 CG ARG A 92 -43.101 -13.504 -21.228 1.00 0.00 C ATOM 1428 CD ARG A 92 -43.925 -14.661 -21.795 1.00 0.00 C ATOM 1429 NE ARG A 92 -43.015 -15.658 -22.424 1.00 0.00 N ATOM 1430 CZ ARG A 92 -42.962 -15.766 -23.723 1.00 0.00 C ATOM 1431 NH1 ARG A 92 -42.858 -14.695 -24.463 1.00 0.00 N ATOM 1432 NH2 ARG A 92 -43.014 -16.943 -24.283 1.00 0.00 N ATOM 0 H ARG A 92 -41.723 -12.484 -19.141 1.00 0.00 H new ATOM 0 HA ARG A 92 -43.077 -10.869 -20.953 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -44.050 -13.247 -19.301 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -44.964 -12.576 -20.637 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -42.758 -12.857 -22.036 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -42.212 -13.888 -20.728 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -44.505 -15.132 -21.001 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -44.637 -14.288 -22.531 1.00 0.00 H new ATOM 0 HE ARG A 92 -42.433 -16.257 -21.839 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -42.818 -13.775 -24.025 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -42.817 -14.779 -25.479 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -43.096 -17.780 -23.705 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -42.973 -17.027 -25.299 1.00 0.00 H new ATOM 1446 N GLN A 93 -45.428 -10.182 -19.777 1.00 0.00 N ATOM 1447 CA GLN A 93 -46.423 -9.315 -19.081 1.00 0.00 C ATOM 1448 C GLN A 93 -46.556 -9.742 -17.617 1.00 0.00 C ATOM 1449 O GLN A 93 -46.777 -8.926 -16.744 1.00 0.00 O ATOM 1450 CB GLN A 93 -47.781 -9.445 -19.770 1.00 0.00 C ATOM 1451 CG GLN A 93 -47.705 -8.835 -21.171 1.00 0.00 C ATOM 1452 CD GLN A 93 -49.070 -8.954 -21.853 1.00 0.00 C ATOM 1453 OE1 GLN A 93 -49.902 -9.738 -21.439 1.00 0.00 O ATOM 1454 NE2 GLN A 93 -49.337 -8.205 -22.887 1.00 0.00 N ATOM 0 H GLN A 93 -45.722 -10.530 -20.690 1.00 0.00 H new ATOM 0 HA GLN A 93 -46.085 -8.280 -19.124 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -48.069 -10.494 -19.834 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -48.548 -8.939 -19.183 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -47.408 -7.788 -21.108 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -46.945 -9.347 -21.762 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -48.639 -7.547 -23.234 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -50.244 -8.277 -23.348 1.00 0.00 H new ATOM 1463 N MET A 94 -46.436 -11.015 -17.342 1.00 0.00 N ATOM 1464 CA MET A 94 -46.565 -11.504 -15.936 1.00 0.00 C ATOM 1465 C MET A 94 -46.031 -10.453 -14.959 1.00 0.00 C ATOM 1466 O MET A 94 -46.725 -10.021 -14.059 1.00 0.00 O ATOM 1467 CB MET A 94 -45.763 -12.797 -15.777 1.00 0.00 C ATOM 1468 CG MET A 94 -45.786 -13.238 -14.312 1.00 0.00 C ATOM 1469 SD MET A 94 -47.283 -14.202 -13.996 1.00 0.00 S ATOM 1470 CE MET A 94 -47.390 -13.868 -12.221 1.00 0.00 C ATOM 0 H MET A 94 -46.253 -11.741 -18.035 1.00 0.00 H new ATOM 0 HA MET A 94 -47.617 -11.689 -15.718 1.00 0.00 H new ATOM 0 HB2 MET A 94 -46.185 -13.578 -16.409 1.00 0.00 H new ATOM 0 HB3 MET A 94 -44.735 -12.642 -16.105 1.00 0.00 H new ATOM 0 HG2 MET A 94 -44.902 -13.835 -14.087 1.00 0.00 H new ATOM 0 HG3 MET A 94 -45.757 -12.366 -13.658 1.00 0.00 H new ATOM 0 HE1 MET A 94 -47.446 -14.810 -11.676 1.00 0.00 H new ATOM 0 HE2 MET A 94 -46.507 -13.315 -11.901 1.00 0.00 H new ATOM 0 HE3 MET A 94 -48.282 -13.277 -12.015 1.00 0.00 H new ATOM 1480 N VAL A 95 -44.805 -10.041 -15.122 1.00 0.00 N ATOM 1481 CA VAL A 95 -44.230 -9.025 -14.195 1.00 0.00 C ATOM 1482 C VAL A 95 -45.250 -7.914 -13.944 1.00 0.00 C ATOM 1483 O VAL A 95 -45.506 -7.534 -12.818 1.00 0.00 O ATOM 1484 CB VAL A 95 -42.966 -8.426 -14.816 1.00 0.00 C ATOM 1485 CG1 VAL A 95 -43.298 -7.854 -16.196 1.00 0.00 C ATOM 1486 CG2 VAL A 95 -42.437 -7.310 -13.915 1.00 0.00 C ATOM 0 H VAL A 95 -44.176 -10.363 -15.857 1.00 0.00 H new ATOM 0 HA VAL A 95 -43.981 -9.504 -13.248 1.00 0.00 H new ATOM 0 HB VAL A 95 -42.207 -9.202 -14.918 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -42.398 -7.427 -16.639 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -43.676 -8.649 -16.838 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -44.056 -7.077 -16.095 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -41.537 -6.882 -14.356 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -43.195 -6.534 -13.814 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -42.201 -7.717 -12.932 1.00 0.00 H new ATOM 1496 N GLN A 96 -45.830 -7.387 -14.983 1.00 0.00 N ATOM 1497 CA GLN A 96 -46.829 -6.295 -14.808 1.00 0.00 C ATOM 1498 C GLN A 96 -48.165 -6.879 -14.349 1.00 0.00 C ATOM 1499 O GLN A 96 -48.580 -6.696 -13.223 1.00 0.00 O ATOM 1500 CB GLN A 96 -47.023 -5.565 -16.137 1.00 0.00 C ATOM 1501 CG GLN A 96 -45.679 -5.005 -16.612 1.00 0.00 C ATOM 1502 CD GLN A 96 -45.904 -4.096 -17.822 1.00 0.00 C ATOM 1503 OE1 GLN A 96 -46.570 -3.084 -17.721 1.00 0.00 O ATOM 1504 NE2 GLN A 96 -45.372 -4.414 -18.970 1.00 0.00 N ATOM 0 H GLN A 96 -45.656 -7.665 -15.949 1.00 0.00 H new ATOM 0 HA GLN A 96 -46.466 -5.596 -14.055 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -47.429 -6.248 -16.883 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -47.745 -4.757 -16.018 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -45.201 -4.446 -15.808 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -45.006 -5.821 -16.877 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -44.813 -5.263 -19.055 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -45.515 -3.814 -19.782 1.00 0.00 H new ATOM 1513 N GLN A 97 -48.841 -7.573 -15.219 1.00 0.00 N ATOM 1514 CA GLN A 97 -50.158 -8.168 -14.847 1.00 0.00 C ATOM 1515 C GLN A 97 -50.102 -8.695 -13.410 1.00 0.00 C ATOM 1516 O GLN A 97 -51.003 -8.476 -12.626 1.00 0.00 O ATOM 1517 CB GLN A 97 -50.484 -9.320 -15.800 1.00 0.00 C ATOM 1518 CG GLN A 97 -50.213 -8.880 -17.240 1.00 0.00 C ATOM 1519 CD GLN A 97 -50.896 -9.851 -18.206 1.00 0.00 C ATOM 1520 OE1 GLN A 97 -51.062 -11.015 -17.899 1.00 0.00 O ATOM 1521 NE2 GLN A 97 -51.302 -9.419 -19.368 1.00 0.00 N ATOM 0 H GLN A 97 -48.539 -7.756 -16.176 1.00 0.00 H new ATOM 0 HA GLN A 97 -50.931 -7.403 -14.919 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -49.878 -10.192 -15.554 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -51.527 -9.615 -15.688 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -50.587 -7.868 -17.399 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -49.140 -8.857 -17.429 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -51.163 -8.442 -19.626 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -51.759 -10.058 -20.019 1.00 0.00 H new ATOM 1530 N PHE A 98 -49.054 -9.390 -13.059 1.00 0.00 N ATOM 1531 CA PHE A 98 -48.957 -9.923 -11.670 1.00 0.00 C ATOM 1532 C PHE A 98 -48.964 -8.758 -10.684 1.00 0.00 C ATOM 1533 O PHE A 98 -49.774 -8.700 -9.780 1.00 0.00 O ATOM 1534 CB PHE A 98 -47.665 -10.728 -11.506 1.00 0.00 C ATOM 1535 CG PHE A 98 -47.649 -11.389 -10.145 1.00 0.00 C ATOM 1536 CD1 PHE A 98 -48.854 -11.670 -9.486 1.00 0.00 C ATOM 1537 CD2 PHE A 98 -46.430 -11.721 -9.540 1.00 0.00 C ATOM 1538 CE1 PHE A 98 -48.839 -12.282 -8.226 1.00 0.00 C ATOM 1539 CE2 PHE A 98 -46.416 -12.334 -8.281 1.00 0.00 C ATOM 1540 CZ PHE A 98 -47.620 -12.613 -7.624 1.00 0.00 C ATOM 0 H PHE A 98 -48.266 -9.611 -13.669 1.00 0.00 H new ATOM 0 HA PHE A 98 -49.807 -10.576 -11.474 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -47.593 -11.483 -12.289 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -46.800 -10.073 -11.614 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -49.795 -11.414 -9.950 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -45.500 -11.504 -10.045 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -49.768 -12.498 -7.719 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -45.476 -12.592 -7.817 1.00 0.00 H new ATOM 0 HZ PHE A 98 -47.608 -13.084 -6.652 1.00 0.00 H new ATOM 1550 N LYS A 99 -48.073 -7.824 -10.856 1.00 0.00 N ATOM 1551 CA LYS A 99 -48.035 -6.658 -9.933 1.00 0.00 C ATOM 1552 C LYS A 99 -49.397 -5.963 -9.956 1.00 0.00 C ATOM 1553 O LYS A 99 -49.880 -5.480 -8.950 1.00 0.00 O ATOM 1554 CB LYS A 99 -46.952 -5.678 -10.389 1.00 0.00 C ATOM 1555 CG LYS A 99 -46.862 -4.518 -9.396 1.00 0.00 C ATOM 1556 CD LYS A 99 -46.131 -4.983 -8.134 1.00 0.00 C ATOM 1557 CE LYS A 99 -45.965 -3.802 -7.176 1.00 0.00 C ATOM 1558 NZ LYS A 99 -44.596 -3.828 -6.589 1.00 0.00 N ATOM 0 H LYS A 99 -47.370 -7.817 -11.595 1.00 0.00 H new ATOM 0 HA LYS A 99 -47.809 -6.995 -8.921 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -45.991 -6.188 -10.457 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -47.184 -5.301 -11.385 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -46.333 -3.679 -9.847 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -47.861 -4.165 -9.141 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -46.692 -5.782 -7.649 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -45.155 -5.392 -8.396 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -46.127 -2.864 -7.707 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -46.713 -3.854 -6.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -44.482 -3.025 -5.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -44.458 -4.718 -6.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -43.891 -3.759 -7.350 1.00 0.00 H new ATOM 1572 N ARG A 100 -50.023 -5.918 -11.100 1.00 0.00 N ATOM 1573 CA ARG A 100 -51.356 -5.263 -11.196 1.00 0.00 C ATOM 1574 C ARG A 100 -52.364 -6.048 -10.356 1.00 0.00 C ATOM 1575 O ARG A 100 -53.021 -5.503 -9.492 1.00 0.00 O ATOM 1576 CB ARG A 100 -51.811 -5.240 -12.657 1.00 0.00 C ATOM 1577 CG ARG A 100 -50.981 -4.216 -13.434 1.00 0.00 C ATOM 1578 CD ARG A 100 -51.589 -4.014 -14.823 1.00 0.00 C ATOM 1579 NE ARG A 100 -50.606 -3.316 -15.699 1.00 0.00 N ATOM 1580 CZ ARG A 100 -50.886 -2.136 -16.182 1.00 0.00 C ATOM 1581 NH1 ARG A 100 -52.071 -1.897 -16.672 1.00 0.00 N ATOM 1582 NH2 ARG A 100 -49.980 -1.197 -16.177 1.00 0.00 N ATOM 0 H ARG A 100 -49.667 -6.307 -11.973 1.00 0.00 H new ATOM 0 HA ARG A 100 -51.290 -4.240 -10.825 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -51.696 -6.229 -13.100 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -52.869 -4.986 -12.715 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -50.956 -3.269 -12.895 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -49.950 -4.560 -13.523 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -51.859 -4.977 -15.257 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -52.506 -3.429 -14.749 1.00 0.00 H new ATOM 0 HE ARG A 100 -49.715 -3.760 -15.921 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -52.778 -2.632 -16.678 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -52.290 -0.975 -17.050 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -49.053 -1.385 -15.796 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -50.199 -0.275 -16.554 1.00 0.00 H new ATOM 1596 N GLU A 101 -52.486 -7.326 -10.593 1.00 0.00 N ATOM 1597 CA GLU A 101 -53.446 -8.133 -9.792 1.00 0.00 C ATOM 1598 C GLU A 101 -52.983 -8.138 -8.335 1.00 0.00 C ATOM 1599 O GLU A 101 -53.779 -8.083 -7.418 1.00 0.00 O ATOM 1600 CB GLU A 101 -53.489 -9.566 -10.325 1.00 0.00 C ATOM 1601 CG GLU A 101 -54.001 -9.559 -11.768 1.00 0.00 C ATOM 1602 CD GLU A 101 -55.225 -8.646 -11.873 1.00 0.00 C ATOM 1603 OE1 GLU A 101 -56.031 -8.662 -10.958 1.00 0.00 O ATOM 1604 OE2 GLU A 101 -55.334 -7.946 -12.867 1.00 0.00 O ATOM 0 H GLU A 101 -51.965 -7.842 -11.302 1.00 0.00 H new ATOM 0 HA GLU A 101 -54.444 -7.701 -9.864 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -52.495 -10.011 -10.283 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -54.139 -10.178 -9.700 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -53.217 -9.212 -12.441 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -54.262 -10.571 -12.077 1.00 0.00 H new ATOM 1611 N LEU A 102 -51.698 -8.194 -8.117 1.00 0.00 N ATOM 1612 CA LEU A 102 -51.178 -8.189 -6.722 1.00 0.00 C ATOM 1613 C LEU A 102 -51.595 -6.887 -6.039 1.00 0.00 C ATOM 1614 O LEU A 102 -51.663 -6.803 -4.829 1.00 0.00 O ATOM 1615 CB LEU A 102 -49.652 -8.289 -6.745 1.00 0.00 C ATOM 1616 CG LEU A 102 -49.240 -9.727 -7.067 1.00 0.00 C ATOM 1617 CD1 LEU A 102 -47.715 -9.842 -7.023 1.00 0.00 C ATOM 1618 CD2 LEU A 102 -49.854 -10.677 -6.037 1.00 0.00 C ATOM 0 H LEU A 102 -50.986 -8.243 -8.846 1.00 0.00 H new ATOM 0 HA LEU A 102 -51.585 -9.039 -6.174 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -49.243 -7.607 -7.490 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -49.243 -7.989 -5.780 1.00 0.00 H new ATOM 0 HG LEU A 102 -49.596 -9.993 -8.062 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -47.421 -10.866 -7.252 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -47.278 -9.166 -7.758 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -47.359 -9.576 -6.028 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -49.561 -11.701 -6.266 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -49.499 -10.412 -5.041 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -50.940 -10.595 -6.069 1.00 0.00 H new ATOM 1630 N MET A 103 -51.883 -5.870 -6.806 1.00 0.00 N ATOM 1631 CA MET A 103 -52.305 -4.578 -6.196 1.00 0.00 C ATOM 1632 C MET A 103 -53.715 -4.734 -5.623 1.00 0.00 C ATOM 1633 O MET A 103 -54.005 -4.295 -4.528 1.00 0.00 O ATOM 1634 CB MET A 103 -52.305 -3.482 -7.264 1.00 0.00 C ATOM 1635 CG MET A 103 -50.891 -2.920 -7.419 1.00 0.00 C ATOM 1636 SD MET A 103 -50.389 -2.116 -5.877 1.00 0.00 S ATOM 1637 CE MET A 103 -51.528 -0.712 -5.972 1.00 0.00 C ATOM 0 H MET A 103 -51.844 -5.878 -7.825 1.00 0.00 H new ATOM 0 HA MET A 103 -51.612 -4.303 -5.401 1.00 0.00 H new ATOM 0 HB2 MET A 103 -52.653 -3.886 -8.215 1.00 0.00 H new ATOM 0 HB3 MET A 103 -52.995 -2.686 -6.984 1.00 0.00 H new ATOM 0 HG2 MET A 103 -50.195 -3.721 -7.667 1.00 0.00 H new ATOM 0 HG3 MET A 103 -50.860 -2.205 -8.241 1.00 0.00 H new ATOM 0 HE1 MET A 103 -51.030 0.186 -5.606 1.00 0.00 H new ATOM 0 HE2 MET A 103 -51.834 -0.561 -7.007 1.00 0.00 H new ATOM 0 HE3 MET A 103 -52.407 -0.915 -5.360 1.00 0.00 H new ATOM 1647 N SER A 104 -54.594 -5.363 -6.357 1.00 0.00 N ATOM 1648 CA SER A 104 -55.985 -5.556 -5.857 1.00 0.00 C ATOM 1649 C SER A 104 -56.019 -6.752 -4.902 1.00 0.00 C ATOM 1650 O SER A 104 -56.884 -6.858 -4.055 1.00 0.00 O ATOM 1651 CB SER A 104 -56.916 -5.824 -7.041 1.00 0.00 C ATOM 1652 OG SER A 104 -56.928 -4.692 -7.900 1.00 0.00 O ATOM 0 H SER A 104 -54.408 -5.751 -7.282 1.00 0.00 H new ATOM 0 HA SER A 104 -56.313 -4.660 -5.331 1.00 0.00 H new ATOM 0 HB2 SER A 104 -56.582 -6.705 -7.588 1.00 0.00 H new ATOM 0 HB3 SER A 104 -57.924 -6.034 -6.684 1.00 0.00 H new ATOM 0 HG SER A 104 -57.523 -4.864 -8.659 1.00 0.00 H new ATOM 1658 N LEU A 105 -55.083 -7.652 -5.034 1.00 0.00 N ATOM 1659 CA LEU A 105 -55.055 -8.842 -4.138 1.00 0.00 C ATOM 1660 C LEU A 105 -55.313 -8.412 -2.692 1.00 0.00 C ATOM 1661 O LEU A 105 -56.134 -8.990 -2.008 1.00 0.00 O ATOM 1662 CB LEU A 105 -53.686 -9.522 -4.239 1.00 0.00 C ATOM 1663 CG LEU A 105 -53.762 -10.935 -3.654 1.00 0.00 C ATOM 1664 CD1 LEU A 105 -55.001 -11.651 -4.196 1.00 0.00 C ATOM 1665 CD2 LEU A 105 -52.507 -11.718 -4.054 1.00 0.00 C ATOM 0 H LEU A 105 -54.335 -7.614 -5.726 1.00 0.00 H new ATOM 0 HA LEU A 105 -55.833 -9.542 -4.444 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -53.368 -9.567 -5.281 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -52.939 -8.937 -3.703 1.00 0.00 H new ATOM 0 HG LEU A 105 -53.826 -10.874 -2.568 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -55.052 -12.656 -3.778 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -55.895 -11.095 -3.914 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -54.939 -11.713 -5.283 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -52.558 -12.725 -3.639 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -52.446 -11.776 -5.141 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -51.623 -11.211 -3.667 1.00 0.00 H new ATOM 1677 N PRO A 106 -54.606 -7.374 -2.216 1.00 0.00 N ATOM 1678 CA PRO A 106 -54.775 -6.872 -0.848 1.00 0.00 C ATOM 1679 C PRO A 106 -56.158 -6.250 -0.650 1.00 0.00 C ATOM 1680 O PRO A 106 -56.529 -5.864 0.440 1.00 0.00 O ATOM 1681 CB PRO A 106 -53.686 -5.806 -0.718 1.00 0.00 C ATOM 1682 CG PRO A 106 -53.423 -5.375 -2.121 1.00 0.00 C ATOM 1683 CD PRO A 106 -53.593 -6.606 -2.964 1.00 0.00 C ATOM 0 HA PRO A 106 -54.695 -7.663 -0.102 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -54.018 -4.971 -0.101 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -52.788 -6.210 -0.251 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -54.117 -4.592 -2.427 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -52.418 -4.967 -2.223 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -53.931 -6.363 -3.971 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -52.659 -7.159 -3.066 1.00 0.00 H new ATOM 1691 N GLN A 107 -56.927 -6.160 -1.702 1.00 0.00 N ATOM 1692 CA GLN A 107 -58.290 -5.577 -1.582 1.00 0.00 C ATOM 1693 C GLN A 107 -59.293 -6.701 -1.318 1.00 0.00 C ATOM 1694 O GLN A 107 -60.203 -6.562 -0.527 1.00 0.00 O ATOM 1695 CB GLN A 107 -58.659 -4.862 -2.884 1.00 0.00 C ATOM 1696 CG GLN A 107 -57.756 -3.640 -3.071 1.00 0.00 C ATOM 1697 CD GLN A 107 -58.049 -2.993 -4.427 1.00 0.00 C ATOM 1698 OE1 GLN A 107 -58.531 -3.645 -5.331 1.00 0.00 O ATOM 1699 NE2 GLN A 107 -57.776 -1.731 -4.607 1.00 0.00 N ATOM 0 H GLN A 107 -56.668 -6.466 -2.640 1.00 0.00 H new ATOM 0 HA GLN A 107 -58.311 -4.862 -0.760 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -58.548 -5.542 -3.729 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -59.704 -4.554 -2.858 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -57.927 -2.922 -2.269 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -56.709 -3.936 -3.016 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -57.371 -1.183 -3.848 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -57.967 -1.291 -5.507 1.00 0.00 H new ATOM 1708 N GLN A 108 -59.130 -7.813 -1.982 1.00 0.00 N ATOM 1709 CA GLN A 108 -60.070 -8.954 -1.781 1.00 0.00 C ATOM 1710 C GLN A 108 -60.458 -9.050 -0.303 1.00 0.00 C ATOM 1711 O GLN A 108 -61.541 -9.484 0.038 1.00 0.00 O ATOM 1712 CB GLN A 108 -59.391 -10.255 -2.214 1.00 0.00 C ATOM 1713 CG GLN A 108 -59.097 -10.201 -3.714 1.00 0.00 C ATOM 1714 CD GLN A 108 -60.408 -10.035 -4.484 1.00 0.00 C ATOM 1715 OE1 GLN A 108 -61.362 -10.749 -4.243 1.00 0.00 O ATOM 1716 NE2 GLN A 108 -60.498 -9.117 -5.406 1.00 0.00 N ATOM 0 H GLN A 108 -58.384 -7.981 -2.657 1.00 0.00 H new ATOM 0 HA GLN A 108 -60.967 -8.792 -2.379 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -58.466 -10.398 -1.656 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -60.034 -11.106 -1.989 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -58.426 -9.371 -3.934 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -58.590 -11.113 -4.029 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -59.698 -8.518 -5.609 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -61.368 -8.998 -5.924 1.00 0.00 H new ATOM 1725 N CYS A 109 -59.583 -8.649 0.578 1.00 0.00 N ATOM 1726 CA CYS A 109 -59.905 -8.717 2.031 1.00 0.00 C ATOM 1727 C CYS A 109 -59.208 -7.569 2.763 1.00 0.00 C ATOM 1728 O CYS A 109 -58.820 -7.694 3.908 1.00 0.00 O ATOM 1729 CB CYS A 109 -59.422 -10.054 2.597 1.00 0.00 C ATOM 1730 SG CYS A 109 -60.594 -11.357 2.147 1.00 0.00 S ATOM 0 H CYS A 109 -58.660 -8.278 0.354 1.00 0.00 H new ATOM 0 HA CYS A 109 -60.983 -8.632 2.169 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -58.432 -10.290 2.207 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -59.331 -9.991 3.681 1.00 0.00 H new ATOM 1735 N ASN A 110 -59.045 -6.450 2.112 1.00 0.00 N ATOM 1736 CA ASN A 110 -58.374 -5.295 2.772 1.00 0.00 C ATOM 1737 C ASN A 110 -57.098 -5.776 3.467 1.00 0.00 C ATOM 1738 O ASN A 110 -56.859 -5.479 4.620 1.00 0.00 O ATOM 1739 CB ASN A 110 -59.318 -4.679 3.807 1.00 0.00 C ATOM 1740 CG ASN A 110 -58.746 -3.346 4.292 1.00 0.00 C ATOM 1741 OD1 ASN A 110 -58.270 -3.244 5.404 1.00 0.00 O ATOM 1742 ND2 ASN A 110 -58.772 -2.311 3.497 1.00 0.00 N ATOM 0 H ASN A 110 -59.347 -6.286 1.152 1.00 0.00 H new ATOM 0 HA ASN A 110 -58.119 -4.546 2.022 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -60.304 -4.525 3.369 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -59.445 -5.360 4.649 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -58.393 -1.418 3.810 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -59.172 -2.396 2.562 1.00 0.00 H new