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 80 GLN : amide:sc= -0.106 K(o=-6.7,f=-10!) USER MOD Set 1.2: A 84 ASN : amide:sc= -6.59! C(o=-6.7!,f=-13!) USER MOD Set 2.1: A 33 MET CE :methyl -120:sc= -3.89! (180deg=-5.62!) USER MOD Set 2.2: A 94 MET CE :methyl -149:sc= -20.7! (180deg=-19.9!) USER MOD Set 3.1: A 30 GLN : amide:sc= -0.0446 K(o=-7.8,f=-17) USER MOD Set 3.2: A 31 HIS : no HE2:sc= -1.11! C(o=-7.8!,f=-23!) USER MOD Set 3.3: A 34 GLN : amide:sc= -4.04! C(o=-7.8!,f=-17!) USER MOD Set 3.4: A 57 GLN : amide:sc= -3.86! C(o=-7.8!,f=-16!) USER MOD Set 3.5: A 108 GLN : amide:sc= 1.22 K(o=-7.8,f=-12!) USER MOD Single : A 15 SER OG : rot -23:sc= 0.593 USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 24 ASN : amide:sc= -0.115 K(o=-0.12,f=-0.69) USER MOD Single : A 26 LYS NZ :NH3+ 165:sc= -0.0162 (180deg=-0.198) USER MOD Single : A 37 MET CE :methyl -159:sc= -7.44! (180deg=-8.32!) USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 65 ASN : amide:sc= -2.33! C(o=-2.3!,f=-3.7!) USER MOD Single : A 70 THR OG1 : rot -40:sc= -2.34! USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 MET CE :methyl 155:sc= -1.49 (180deg=-3.24!) USER MOD Single : A 75 CYS SG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 82 MET CE :methyl 134:sc= -0.354 (180deg=-1.85!) USER MOD Single : A 85 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 86 CYS SG : rot 180:sc= -2.17! USER MOD Single : A 90 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 93 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 96 GLN : amide:sc=-0.00032 K(o=-0.00032,f=-1.5!) USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 99 LYS NZ :NH3+ 163:sc=-0.00168 (180deg=-0.203) USER MOD Single : A 103 MET CE :methyl -166:sc= -1.35 (180deg=-2.01) USER MOD Single : A 104 SER OG : rot 76:sc= 0.0469 USER MOD Single : A 107 GLN : amide:sc= -0.634 K(o=-0.63,f=-3!) USER MOD Single : A 110 ASN : amide:sc= -0.138 X(o=-0.14,f=-0.09) USER MOD ----------------------------------------------------------------- ATOM 217 N SER A 15 -39.566 -11.337 16.314 1.00 0.00 N ATOM 218 CA SER A 15 -39.447 -12.541 15.444 1.00 0.00 C ATOM 219 C SER A 15 -40.681 -12.644 14.545 1.00 0.00 C ATOM 220 O SER A 15 -41.132 -13.722 14.213 1.00 0.00 O ATOM 221 CB SER A 15 -39.347 -13.794 16.317 1.00 0.00 C ATOM 222 OG SER A 15 -40.142 -13.624 17.482 1.00 0.00 O ATOM 0 HA SER A 15 -38.553 -12.456 14.827 1.00 0.00 H new ATOM 0 HB2 SER A 15 -39.684 -14.667 15.758 1.00 0.00 H new ATOM 0 HB3 SER A 15 -38.309 -13.974 16.595 1.00 0.00 H new ATOM 0 HG SER A 15 -40.266 -12.668 17.657 1.00 0.00 H new ATOM 228 N CYS A 16 -41.231 -11.528 14.147 1.00 0.00 N ATOM 229 CA CYS A 16 -42.435 -11.563 13.270 1.00 0.00 C ATOM 230 C CYS A 16 -42.133 -12.399 12.025 1.00 0.00 C ATOM 231 O CYS A 16 -42.980 -13.107 11.519 1.00 0.00 O ATOM 232 CB CYS A 16 -42.800 -10.139 12.850 1.00 0.00 C ATOM 233 SG CYS A 16 -44.462 -10.130 12.130 1.00 0.00 S ATOM 0 H CYS A 16 -40.898 -10.595 14.391 1.00 0.00 H new ATOM 0 HA CYS A 16 -43.269 -12.007 13.814 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -42.762 -9.473 13.712 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -42.076 -9.765 12.126 1.00 0.00 H new ATOM 238 N GLU A 17 -40.928 -12.324 11.527 1.00 0.00 N ATOM 239 CA GLU A 17 -40.572 -13.114 10.316 1.00 0.00 C ATOM 240 C GLU A 17 -40.933 -14.583 10.541 1.00 0.00 C ATOM 241 O GLU A 17 -41.356 -15.275 9.636 1.00 0.00 O ATOM 242 CB GLU A 17 -39.070 -12.991 10.052 1.00 0.00 C ATOM 243 CG GLU A 17 -38.733 -13.638 8.707 1.00 0.00 C ATOM 244 CD GLU A 17 -37.220 -13.592 8.483 1.00 0.00 C ATOM 245 OE1 GLU A 17 -36.528 -13.088 9.352 1.00 0.00 O ATOM 246 OE2 GLU A 17 -36.780 -14.063 7.448 1.00 0.00 O ATOM 0 H GLU A 17 -40.176 -11.750 11.907 1.00 0.00 H new ATOM 0 HA GLU A 17 -41.124 -12.733 9.457 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -38.776 -11.941 10.046 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -38.509 -13.475 10.851 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -39.083 -14.670 8.690 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -39.247 -13.114 7.901 1.00 0.00 H new ATOM 253 N ARG A 18 -40.773 -15.065 11.743 1.00 0.00 N ATOM 254 CA ARG A 18 -41.108 -16.489 12.027 1.00 0.00 C ATOM 255 C ARG A 18 -42.566 -16.754 11.647 1.00 0.00 C ATOM 256 O ARG A 18 -42.961 -17.877 11.402 1.00 0.00 O ATOM 257 CB ARG A 18 -40.908 -16.773 13.516 1.00 0.00 C ATOM 258 CG ARG A 18 -39.422 -16.655 13.861 1.00 0.00 C ATOM 259 CD ARG A 18 -39.198 -17.092 15.309 1.00 0.00 C ATOM 260 NE ARG A 18 -37.782 -16.832 15.693 1.00 0.00 N ATOM 261 CZ ARG A 18 -37.071 -17.777 16.246 1.00 0.00 C ATOM 262 NH1 ARG A 18 -36.313 -18.540 15.507 1.00 0.00 N ATOM 263 NH2 ARG A 18 -37.119 -17.958 17.537 1.00 0.00 N ATOM 0 H ARG A 18 -40.425 -14.534 12.541 1.00 0.00 H new ATOM 0 HA ARG A 18 -40.456 -17.140 11.444 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -41.488 -16.069 14.113 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -41.271 -17.772 13.759 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -38.831 -17.275 13.187 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -39.087 -15.627 13.724 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -39.871 -16.549 15.972 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -39.427 -18.152 15.420 1.00 0.00 H new ATOM 0 HE ARG A 18 -37.368 -15.915 15.524 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -36.276 -18.398 14.498 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -35.757 -19.278 15.939 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -37.712 -17.361 18.114 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -36.564 -18.696 17.969 1.00 0.00 H new ATOM 277 N GLN A 19 -43.370 -15.727 11.594 1.00 0.00 N ATOM 278 CA GLN A 19 -44.802 -15.920 11.229 1.00 0.00 C ATOM 279 C GLN A 19 -44.920 -16.098 9.715 1.00 0.00 C ATOM 280 O GLN A 19 -45.844 -16.716 9.224 1.00 0.00 O ATOM 281 CB GLN A 19 -45.607 -14.694 11.662 1.00 0.00 C ATOM 282 CG GLN A 19 -45.655 -14.627 13.190 1.00 0.00 C ATOM 283 CD GLN A 19 -46.462 -13.401 13.621 1.00 0.00 C ATOM 284 OE1 GLN A 19 -46.749 -12.536 12.819 1.00 0.00 O ATOM 285 NE2 GLN A 19 -46.843 -13.290 14.865 1.00 0.00 N ATOM 0 H GLN A 19 -43.097 -14.763 11.788 1.00 0.00 H new ATOM 0 HA GLN A 19 -45.190 -16.806 11.731 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -45.152 -13.788 11.262 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -46.618 -14.749 11.258 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -46.109 -15.534 13.590 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -44.644 -14.571 13.594 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -46.602 -14.017 15.539 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -47.382 -12.477 15.163 1.00 0.00 H new ATOM 294 N VAL A 20 -43.991 -15.562 8.971 1.00 0.00 N ATOM 295 CA VAL A 20 -44.052 -15.702 7.489 1.00 0.00 C ATOM 296 C VAL A 20 -43.761 -17.153 7.103 1.00 0.00 C ATOM 297 O VAL A 20 -44.349 -17.690 6.186 1.00 0.00 O ATOM 298 CB VAL A 20 -43.010 -14.784 6.847 1.00 0.00 C ATOM 299 CG1 VAL A 20 -43.202 -14.782 5.329 1.00 0.00 C ATOM 300 CG2 VAL A 20 -43.183 -13.362 7.385 1.00 0.00 C ATOM 0 H VAL A 20 -43.193 -15.034 9.325 1.00 0.00 H new ATOM 0 HA VAL A 20 -45.046 -15.425 7.137 1.00 0.00 H new ATOM 0 HB VAL A 20 -42.009 -15.144 7.087 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -42.461 -14.128 4.869 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -43.080 -15.795 4.946 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -44.202 -14.421 5.089 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -42.441 -12.707 6.928 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -44.183 -13.001 7.144 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -43.049 -13.363 8.467 1.00 0.00 H new ATOM 310 N ASP A 21 -42.857 -17.792 7.795 1.00 0.00 N ATOM 311 CA ASP A 21 -42.531 -19.207 7.464 1.00 0.00 C ATOM 312 C ASP A 21 -43.804 -20.053 7.549 1.00 0.00 C ATOM 313 O ASP A 21 -43.902 -21.108 6.953 1.00 0.00 O ATOM 314 CB ASP A 21 -41.498 -19.740 8.459 1.00 0.00 C ATOM 315 CG ASP A 21 -41.087 -21.158 8.057 1.00 0.00 C ATOM 316 OD1 ASP A 21 -40.160 -21.285 7.274 1.00 0.00 O ATOM 317 OD2 ASP A 21 -41.707 -22.092 8.537 1.00 0.00 O ATOM 0 H ASP A 21 -42.331 -17.395 8.574 1.00 0.00 H new ATOM 0 HA ASP A 21 -42.123 -19.260 6.455 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -40.625 -19.088 8.477 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -41.915 -19.742 9.466 1.00 0.00 H new ATOM 322 N ARG A 22 -44.781 -19.597 8.283 1.00 0.00 N ATOM 323 CA ARG A 22 -46.047 -20.372 8.405 1.00 0.00 C ATOM 324 C ARG A 22 -47.158 -19.658 7.632 1.00 0.00 C ATOM 325 O ARG A 22 -48.310 -20.039 7.687 1.00 0.00 O ATOM 326 CB ARG A 22 -46.440 -20.479 9.880 1.00 0.00 C ATOM 327 CG ARG A 22 -45.486 -21.438 10.594 1.00 0.00 C ATOM 328 CD ARG A 22 -45.931 -21.611 12.048 1.00 0.00 C ATOM 329 NE ARG A 22 -47.161 -22.449 12.095 1.00 0.00 N ATOM 330 CZ ARG A 22 -47.535 -22.997 13.219 1.00 0.00 C ATOM 331 NH1 ARG A 22 -48.490 -22.454 13.924 1.00 0.00 N ATOM 332 NH2 ARG A 22 -46.955 -24.088 13.638 1.00 0.00 N ATOM 0 H ARG A 22 -44.757 -18.720 8.804 1.00 0.00 H new ATOM 0 HA ARG A 22 -45.902 -21.371 7.994 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -46.403 -19.496 10.349 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -47.466 -20.836 9.969 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -45.477 -22.403 10.088 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -44.468 -21.050 10.558 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -45.137 -22.079 12.629 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -46.124 -20.637 12.499 1.00 0.00 H new ATOM 0 HE ARG A 22 -47.711 -22.595 11.249 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -48.944 -21.601 13.596 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -48.782 -22.882 14.802 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -46.209 -24.513 13.087 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -47.247 -24.516 14.516 1.00 0.00 H new ATOM 346 N VAL A 23 -46.821 -18.623 6.911 1.00 0.00 N ATOM 347 CA VAL A 23 -47.858 -17.886 6.136 1.00 0.00 C ATOM 348 C VAL A 23 -48.579 -18.857 5.201 1.00 0.00 C ATOM 349 O VAL A 23 -49.781 -18.797 5.036 1.00 0.00 O ATOM 350 CB VAL A 23 -47.192 -16.780 5.314 1.00 0.00 C ATOM 351 CG1 VAL A 23 -46.224 -17.403 4.308 1.00 0.00 C ATOM 352 CG2 VAL A 23 -48.262 -15.985 4.563 1.00 0.00 C ATOM 0 H VAL A 23 -45.873 -18.257 6.826 1.00 0.00 H new ATOM 0 HA VAL A 23 -48.578 -17.441 6.822 1.00 0.00 H new ATOM 0 HB VAL A 23 -46.645 -16.114 5.981 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -45.750 -16.615 3.723 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -45.460 -17.969 4.841 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -46.771 -18.070 3.642 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -47.787 -15.198 3.978 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -48.810 -16.651 3.897 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -48.953 -15.539 5.278 1.00 0.00 H new ATOM 362 N ASN A 24 -47.852 -19.751 4.591 1.00 0.00 N ATOM 363 CA ASN A 24 -48.488 -20.732 3.664 1.00 0.00 C ATOM 364 C ASN A 24 -49.588 -20.035 2.860 1.00 0.00 C ATOM 365 O ASN A 24 -50.761 -20.193 3.130 1.00 0.00 O ATOM 366 CB ASN A 24 -49.097 -21.878 4.474 1.00 0.00 C ATOM 367 CG ASN A 24 -48.048 -22.440 5.434 1.00 0.00 C ATOM 368 OD1 ASN A 24 -48.273 -22.512 6.626 1.00 0.00 O ATOM 369 ND2 ASN A 24 -46.899 -22.844 4.963 1.00 0.00 N ATOM 0 H ASN A 24 -46.842 -19.846 4.694 1.00 0.00 H new ATOM 0 HA ASN A 24 -47.735 -21.128 2.982 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -49.963 -21.522 5.033 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -49.450 -22.663 3.805 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -46.192 -23.219 5.595 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -46.708 -22.784 3.963 1.00 0.00 H new ATOM 376 N LEU A 25 -49.219 -19.262 1.875 1.00 0.00 N ATOM 377 CA LEU A 25 -50.246 -18.555 1.061 1.00 0.00 C ATOM 378 C LEU A 25 -50.119 -18.973 -0.406 1.00 0.00 C ATOM 379 O LEU A 25 -50.166 -18.151 -1.301 1.00 0.00 O ATOM 380 CB LEU A 25 -50.040 -17.044 1.182 1.00 0.00 C ATOM 381 CG LEU A 25 -51.218 -16.429 1.941 1.00 0.00 C ATOM 382 CD1 LEU A 25 -51.291 -17.034 3.345 1.00 0.00 C ATOM 383 CD2 LEU A 25 -51.021 -14.916 2.049 1.00 0.00 C ATOM 0 H LEU A 25 -48.252 -19.090 1.600 1.00 0.00 H new ATOM 0 HA LEU A 25 -51.239 -18.818 1.425 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -49.107 -16.834 1.705 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -49.958 -16.597 0.191 1.00 0.00 H new ATOM 0 HG LEU A 25 -52.144 -16.638 1.406 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -52.130 -16.597 3.887 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -51.430 -18.112 3.270 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -50.365 -16.824 3.880 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -51.860 -14.478 2.590 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -50.095 -14.707 2.585 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -50.968 -14.484 1.050 1.00 0.00 H new ATOM 395 N LYS A 26 -49.966 -20.244 -0.663 1.00 0.00 N ATOM 396 CA LYS A 26 -49.842 -20.711 -2.070 1.00 0.00 C ATOM 397 C LYS A 26 -51.185 -20.572 -2.798 1.00 0.00 C ATOM 398 O LYS A 26 -51.220 -20.285 -3.979 1.00 0.00 O ATOM 399 CB LYS A 26 -49.410 -22.178 -2.081 1.00 0.00 C ATOM 400 CG LYS A 26 -47.958 -22.279 -2.551 1.00 0.00 C ATOM 401 CD LYS A 26 -47.893 -23.104 -3.838 1.00 0.00 C ATOM 402 CE LYS A 26 -47.424 -24.523 -3.511 1.00 0.00 C ATOM 403 NZ LYS A 26 -48.397 -25.166 -2.584 1.00 0.00 N ATOM 0 H LYS A 26 -49.922 -20.979 0.043 1.00 0.00 H new ATOM 0 HA LYS A 26 -49.097 -20.100 -2.581 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -49.511 -22.605 -1.083 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -50.058 -22.754 -2.742 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -47.551 -21.283 -2.724 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -47.346 -22.743 -1.778 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -48.873 -23.134 -4.313 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -47.209 -22.638 -4.547 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -47.336 -25.108 -4.426 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -46.435 -24.494 -3.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -48.228 -26.192 -2.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -48.278 -24.773 -1.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -49.366 -24.983 -2.915 1.00 0.00 H new ATOM 417 N PRO A 27 -52.317 -20.775 -2.094 1.00 0.00 N ATOM 418 CA PRO A 27 -53.646 -20.664 -2.709 1.00 0.00 C ATOM 419 C PRO A 27 -53.932 -19.231 -3.161 1.00 0.00 C ATOM 420 O PRO A 27 -54.638 -19.003 -4.123 1.00 0.00 O ATOM 421 CB PRO A 27 -54.601 -21.081 -1.590 1.00 0.00 C ATOM 422 CG PRO A 27 -53.842 -20.810 -0.339 1.00 0.00 C ATOM 423 CD PRO A 27 -52.408 -21.119 -0.661 1.00 0.00 C ATOM 0 HA PRO A 27 -53.744 -21.280 -3.603 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -55.528 -20.509 -1.625 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -54.873 -22.134 -1.670 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -53.959 -19.772 -0.027 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -54.202 -21.432 0.481 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -51.720 -20.526 -0.058 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -52.169 -22.167 -0.480 1.00 0.00 H new ATOM 431 N CYS A 28 -53.372 -18.264 -2.487 1.00 0.00 N ATOM 432 CA CYS A 28 -53.596 -16.852 -2.897 1.00 0.00 C ATOM 433 C CYS A 28 -52.738 -16.570 -4.131 1.00 0.00 C ATOM 434 O CYS A 28 -53.208 -16.053 -5.127 1.00 0.00 O ATOM 435 CB CYS A 28 -53.188 -15.915 -1.759 1.00 0.00 C ATOM 436 SG CYS A 28 -54.662 -15.399 -0.843 1.00 0.00 S ATOM 0 H CYS A 28 -52.771 -18.392 -1.673 1.00 0.00 H new ATOM 0 HA CYS A 28 -54.649 -16.688 -3.126 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -52.490 -16.420 -1.091 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -52.672 -15.042 -2.160 1.00 0.00 H new ATOM 441 N GLU A 29 -51.482 -16.924 -4.076 1.00 0.00 N ATOM 442 CA GLU A 29 -50.595 -16.696 -5.249 1.00 0.00 C ATOM 443 C GLU A 29 -51.252 -17.301 -6.489 1.00 0.00 C ATOM 444 O GLU A 29 -51.195 -16.750 -7.570 1.00 0.00 O ATOM 445 CB GLU A 29 -49.246 -17.374 -5.008 1.00 0.00 C ATOM 446 CG GLU A 29 -48.191 -16.752 -5.926 1.00 0.00 C ATOM 447 CD GLU A 29 -46.831 -17.395 -5.651 1.00 0.00 C ATOM 448 OE1 GLU A 29 -46.792 -18.354 -4.899 1.00 0.00 O ATOM 449 OE2 GLU A 29 -45.849 -16.916 -6.196 1.00 0.00 O ATOM 0 H GLU A 29 -51.034 -17.360 -3.270 1.00 0.00 H new ATOM 0 HA GLU A 29 -50.440 -15.627 -5.394 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -48.950 -17.258 -3.965 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -49.325 -18.444 -5.200 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -48.470 -16.899 -6.969 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -48.137 -15.676 -5.759 1.00 0.00 H new ATOM 456 N GLN A 30 -51.879 -18.435 -6.337 1.00 0.00 N ATOM 457 CA GLN A 30 -52.543 -19.082 -7.501 1.00 0.00 C ATOM 458 C GLN A 30 -53.726 -18.225 -7.954 1.00 0.00 C ATOM 459 O GLN A 30 -54.098 -18.229 -9.110 1.00 0.00 O ATOM 460 CB GLN A 30 -53.046 -20.470 -7.095 1.00 0.00 C ATOM 461 CG GLN A 30 -51.850 -21.382 -6.814 1.00 0.00 C ATOM 462 CD GLN A 30 -50.913 -21.383 -8.024 1.00 0.00 C ATOM 463 OE1 GLN A 30 -51.350 -21.552 -9.145 1.00 0.00 O ATOM 464 NE2 GLN A 30 -49.633 -21.201 -7.843 1.00 0.00 N ATOM 0 H GLN A 30 -51.960 -18.941 -5.455 1.00 0.00 H new ATOM 0 HA GLN A 30 -51.829 -19.178 -8.319 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -53.677 -20.396 -6.209 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -53.661 -20.893 -7.889 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -51.317 -21.037 -5.928 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -52.193 -22.395 -6.606 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -49.266 -21.059 -6.902 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -49.000 -21.201 -8.643 1.00 0.00 H new ATOM 473 N HIS A 31 -54.320 -17.485 -7.055 1.00 0.00 N ATOM 474 CA HIS A 31 -55.474 -16.629 -7.440 1.00 0.00 C ATOM 475 C HIS A 31 -54.953 -15.417 -8.209 1.00 0.00 C ATOM 476 O HIS A 31 -55.674 -14.776 -8.946 1.00 0.00 O ATOM 477 CB HIS A 31 -56.197 -16.166 -6.173 1.00 0.00 C ATOM 478 CG HIS A 31 -57.248 -15.151 -6.525 1.00 0.00 C ATOM 479 ND1 HIS A 31 -58.358 -15.471 -7.290 1.00 0.00 N ATOM 480 CD2 HIS A 31 -57.377 -13.819 -6.214 1.00 0.00 C ATOM 481 CE1 HIS A 31 -59.101 -14.355 -7.413 1.00 0.00 C ATOM 482 NE2 HIS A 31 -58.548 -13.319 -6.776 1.00 0.00 N ATOM 0 H HIS A 31 -54.054 -17.438 -6.071 1.00 0.00 H new ATOM 0 HA HIS A 31 -56.167 -17.189 -8.067 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -56.656 -17.019 -5.674 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -55.482 -15.734 -5.473 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -58.573 -16.385 -7.688 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -56.677 -13.247 -5.623 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -60.031 -14.304 -7.960 1.00 0.00 H new ATOM 490 N ILE A 32 -53.698 -15.103 -8.043 1.00 0.00 N ATOM 491 CA ILE A 32 -53.118 -13.936 -8.765 1.00 0.00 C ATOM 492 C ILE A 32 -52.317 -14.430 -9.970 1.00 0.00 C ATOM 493 O ILE A 32 -52.470 -13.938 -11.071 1.00 0.00 O ATOM 494 CB ILE A 32 -52.198 -13.147 -7.827 1.00 0.00 C ATOM 495 CG1 ILE A 32 -51.932 -13.957 -6.555 1.00 0.00 C ATOM 496 CG2 ILE A 32 -52.873 -11.827 -7.457 1.00 0.00 C ATOM 497 CD1 ILE A 32 -51.163 -13.101 -5.548 1.00 0.00 C ATOM 0 H ILE A 32 -53.048 -15.605 -7.438 1.00 0.00 H new ATOM 0 HA ILE A 32 -53.925 -13.286 -9.104 1.00 0.00 H new ATOM 0 HB ILE A 32 -51.251 -12.951 -8.330 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -52.875 -14.288 -6.120 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -51.360 -14.853 -6.796 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -52.223 -11.261 -6.790 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -53.058 -11.247 -8.361 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -53.819 -12.030 -6.956 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -50.976 -13.682 -4.645 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -50.213 -12.792 -5.984 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -51.751 -12.218 -5.297 1.00 0.00 H new ATOM 509 N MET A 33 -51.467 -15.399 -9.775 1.00 0.00 N ATOM 510 CA MET A 33 -50.663 -15.921 -10.914 1.00 0.00 C ATOM 511 C MET A 33 -51.603 -16.524 -11.961 1.00 0.00 C ATOM 512 O MET A 33 -51.454 -16.302 -13.145 1.00 0.00 O ATOM 513 CB MET A 33 -49.704 -17.001 -10.410 1.00 0.00 C ATOM 514 CG MET A 33 -48.508 -16.340 -9.721 1.00 0.00 C ATOM 515 SD MET A 33 -47.041 -17.380 -9.934 1.00 0.00 S ATOM 516 CE MET A 33 -45.812 -16.134 -9.470 1.00 0.00 C ATOM 0 H MET A 33 -51.295 -15.851 -8.877 1.00 0.00 H new ATOM 0 HA MET A 33 -50.091 -15.108 -11.360 1.00 0.00 H new ATOM 0 HB2 MET A 33 -50.218 -17.663 -9.713 1.00 0.00 H new ATOM 0 HB3 MET A 33 -49.363 -17.617 -11.242 1.00 0.00 H new ATOM 0 HG2 MET A 33 -48.331 -15.351 -10.144 1.00 0.00 H new ATOM 0 HG3 MET A 33 -48.717 -16.200 -8.660 1.00 0.00 H new ATOM 0 HE1 MET A 33 -45.130 -15.967 -10.304 1.00 0.00 H new ATOM 0 HE2 MET A 33 -46.316 -15.200 -9.222 1.00 0.00 H new ATOM 0 HE3 MET A 33 -45.249 -16.483 -8.605 1.00 0.00 H new ATOM 526 N GLN A 34 -52.569 -17.289 -11.530 1.00 0.00 N ATOM 527 CA GLN A 34 -53.517 -17.911 -12.497 1.00 0.00 C ATOM 528 C GLN A 34 -54.347 -16.822 -13.181 1.00 0.00 C ATOM 529 O GLN A 34 -54.590 -16.870 -14.369 1.00 0.00 O ATOM 530 CB GLN A 34 -54.447 -18.869 -11.750 1.00 0.00 C ATOM 531 CG GLN A 34 -53.614 -19.936 -11.038 1.00 0.00 C ATOM 532 CD GLN A 34 -54.543 -20.876 -10.266 1.00 0.00 C ATOM 533 OE1 GLN A 34 -55.717 -20.602 -10.117 1.00 0.00 O ATOM 534 NE2 GLN A 34 -54.063 -21.981 -9.764 1.00 0.00 N ATOM 0 H GLN A 34 -52.742 -17.510 -10.549 1.00 0.00 H new ATOM 0 HA GLN A 34 -52.955 -18.461 -13.252 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -55.048 -18.319 -11.026 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -55.140 -19.339 -12.448 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -53.029 -20.501 -11.764 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -52.906 -19.465 -10.356 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -53.077 -22.212 -9.889 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -54.674 -22.614 -9.247 1.00 0.00 H new ATOM 543 N ARG A 35 -54.793 -15.843 -12.441 1.00 0.00 N ATOM 544 CA ARG A 35 -55.612 -14.761 -13.058 1.00 0.00 C ATOM 545 C ARG A 35 -54.781 -14.011 -14.101 1.00 0.00 C ATOM 546 O ARG A 35 -55.247 -13.712 -15.182 1.00 0.00 O ATOM 547 CB ARG A 35 -56.063 -13.784 -11.972 1.00 0.00 C ATOM 548 CG ARG A 35 -57.327 -14.320 -11.299 1.00 0.00 C ATOM 549 CD ARG A 35 -57.857 -13.279 -10.310 1.00 0.00 C ATOM 550 NE ARG A 35 -58.750 -12.324 -11.023 1.00 0.00 N ATOM 551 CZ ARG A 35 -60.041 -12.516 -11.022 1.00 0.00 C ATOM 552 NH1 ARG A 35 -60.627 -13.009 -12.079 1.00 0.00 N ATOM 553 NH2 ARG A 35 -60.745 -12.214 -9.966 1.00 0.00 N ATOM 0 H ARG A 35 -54.626 -15.746 -11.439 1.00 0.00 H new ATOM 0 HA ARG A 35 -56.484 -15.202 -13.542 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -55.272 -13.654 -11.233 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -56.257 -12.804 -12.407 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -58.085 -14.544 -12.050 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -57.108 -15.253 -10.779 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -58.403 -13.772 -9.505 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -57.027 -12.743 -9.851 1.00 0.00 H new ATOM 0 HE ARG A 35 -58.353 -11.521 -11.511 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -60.076 -13.244 -12.905 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -61.636 -13.159 -12.079 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -60.287 -11.828 -9.141 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -61.754 -12.364 -9.966 1.00 0.00 H new ATOM 567 N ILE A 36 -53.555 -13.698 -13.782 1.00 0.00 N ATOM 568 CA ILE A 36 -52.698 -12.960 -14.752 1.00 0.00 C ATOM 569 C ILE A 36 -52.268 -13.894 -15.886 1.00 0.00 C ATOM 570 O ILE A 36 -51.586 -13.489 -16.807 1.00 0.00 O ATOM 571 CB ILE A 36 -51.457 -12.431 -14.031 1.00 0.00 C ATOM 572 CG1 ILE A 36 -50.698 -13.598 -13.396 1.00 0.00 C ATOM 573 CG2 ILE A 36 -51.884 -11.446 -12.940 1.00 0.00 C ATOM 574 CD1 ILE A 36 -49.649 -13.056 -12.426 1.00 0.00 C ATOM 0 H ILE A 36 -53.110 -13.921 -12.892 1.00 0.00 H new ATOM 0 HA ILE A 36 -53.264 -12.128 -15.170 1.00 0.00 H new ATOM 0 HB ILE A 36 -50.809 -11.924 -14.746 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -51.392 -14.253 -12.869 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -50.218 -14.198 -14.170 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -51.001 -11.068 -12.425 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -52.424 -10.614 -13.392 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -52.531 -11.953 -12.225 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -49.108 -13.887 -11.973 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -48.949 -12.419 -12.966 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -50.141 -12.475 -11.646 1.00 0.00 H new ATOM 586 N MET A 37 -52.658 -15.138 -15.834 1.00 0.00 N ATOM 587 CA MET A 37 -52.263 -16.082 -16.918 1.00 0.00 C ATOM 588 C MET A 37 -52.793 -15.564 -18.258 1.00 0.00 C ATOM 589 O MET A 37 -52.231 -15.829 -19.302 1.00 0.00 O ATOM 590 CB MET A 37 -52.852 -17.466 -16.636 1.00 0.00 C ATOM 591 CG MET A 37 -51.967 -18.198 -15.624 1.00 0.00 C ATOM 592 SD MET A 37 -52.521 -19.914 -15.466 1.00 0.00 S ATOM 593 CE MET A 37 -54.285 -19.566 -15.267 1.00 0.00 C ATOM 0 H MET A 37 -53.230 -15.540 -15.092 1.00 0.00 H new ATOM 0 HA MET A 37 -51.176 -16.155 -16.958 1.00 0.00 H new ATOM 0 HB2 MET A 37 -53.866 -17.370 -16.247 1.00 0.00 H new ATOM 0 HB3 MET A 37 -52.919 -18.040 -17.560 1.00 0.00 H new ATOM 0 HG2 MET A 37 -50.926 -18.169 -15.947 1.00 0.00 H new ATOM 0 HG3 MET A 37 -52.014 -17.699 -14.656 1.00 0.00 H new ATOM 0 HE1 MET A 37 -54.772 -20.417 -14.791 1.00 0.00 H new ATOM 0 HE2 MET A 37 -54.413 -18.680 -14.645 1.00 0.00 H new ATOM 0 HE3 MET A 37 -54.734 -19.391 -16.245 1.00 0.00 H new ATOM 603 N GLY A 38 -53.868 -14.824 -18.234 1.00 0.00 N ATOM 604 CA GLY A 38 -54.431 -14.286 -19.504 1.00 0.00 C ATOM 605 C GLY A 38 -54.850 -15.443 -20.413 1.00 0.00 C ATOM 606 O GLY A 38 -55.431 -16.414 -19.971 1.00 0.00 O ATOM 0 H GLY A 38 -54.380 -14.569 -17.390 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -55.289 -13.649 -19.291 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -53.690 -13.665 -20.007 1.00 0.00 H new ATOM 865 N ASP A 55 -63.366 -20.670 -7.284 1.00 0.00 N ATOM 866 CA ASP A 55 -64.131 -20.633 -6.006 1.00 0.00 C ATOM 867 C ASP A 55 -63.227 -21.091 -4.859 1.00 0.00 C ATOM 868 O ASP A 55 -63.400 -20.697 -3.724 1.00 0.00 O ATOM 869 CB ASP A 55 -65.338 -21.568 -6.108 1.00 0.00 C ATOM 870 CG ASP A 55 -66.252 -21.353 -4.899 1.00 0.00 C ATOM 871 OD1 ASP A 55 -65.996 -20.430 -4.144 1.00 0.00 O ATOM 872 OD2 ASP A 55 -67.193 -22.115 -4.751 1.00 0.00 O ATOM 0 HA ASP A 55 -64.474 -19.616 -5.816 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -65.885 -21.374 -7.030 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -65.006 -22.605 -6.147 1.00 0.00 H new ATOM 877 N GLN A 56 -62.261 -21.921 -5.149 1.00 0.00 N ATOM 878 CA GLN A 56 -61.347 -22.403 -4.077 1.00 0.00 C ATOM 879 C GLN A 56 -60.370 -21.286 -3.702 1.00 0.00 C ATOM 880 O GLN A 56 -59.939 -21.179 -2.572 1.00 0.00 O ATOM 881 CB GLN A 56 -60.565 -23.617 -4.581 1.00 0.00 C ATOM 882 CG GLN A 56 -61.535 -24.765 -4.864 1.00 0.00 C ATOM 883 CD GLN A 56 -60.767 -25.946 -5.462 1.00 0.00 C ATOM 884 OE1 GLN A 56 -59.652 -25.792 -5.919 1.00 0.00 O ATOM 885 NE2 GLN A 56 -61.322 -27.127 -5.477 1.00 0.00 N ATOM 0 H GLN A 56 -62.067 -22.285 -6.082 1.00 0.00 H new ATOM 0 HA GLN A 56 -61.930 -22.686 -3.201 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -60.016 -23.359 -5.486 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -59.829 -23.923 -3.838 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -62.033 -25.070 -3.944 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -62.313 -24.437 -5.553 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -62.258 -27.255 -5.093 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -60.820 -27.922 -5.873 1.00 0.00 H new ATOM 894 N GLN A 57 -60.018 -20.453 -4.643 1.00 0.00 N ATOM 895 CA GLN A 57 -59.071 -19.345 -4.340 1.00 0.00 C ATOM 896 C GLN A 57 -59.671 -18.447 -3.256 1.00 0.00 C ATOM 897 O GLN A 57 -58.991 -18.020 -2.343 1.00 0.00 O ATOM 898 CB GLN A 57 -58.826 -18.522 -5.606 1.00 0.00 C ATOM 899 CG GLN A 57 -57.861 -19.275 -6.524 1.00 0.00 C ATOM 900 CD GLN A 57 -58.001 -18.748 -7.954 1.00 0.00 C ATOM 901 OE1 GLN A 57 -58.950 -18.059 -8.270 1.00 0.00 O ATOM 902 NE2 GLN A 57 -57.086 -19.044 -8.838 1.00 0.00 N ATOM 0 H GLN A 57 -60.346 -20.493 -5.608 1.00 0.00 H new ATOM 0 HA GLN A 57 -58.126 -19.759 -3.989 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -59.768 -18.340 -6.122 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -58.412 -17.548 -5.345 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -56.836 -19.146 -6.176 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -58.075 -20.343 -6.496 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -56.289 -19.623 -8.573 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -57.169 -18.697 -9.793 1.00 0.00 H new ATOM 911 N GLN A 58 -60.940 -18.159 -3.347 1.00 0.00 N ATOM 912 CA GLN A 58 -61.583 -17.291 -2.321 1.00 0.00 C ATOM 913 C GLN A 58 -61.324 -17.871 -0.930 1.00 0.00 C ATOM 914 O GLN A 58 -61.395 -17.178 0.065 1.00 0.00 O ATOM 915 CB GLN A 58 -63.091 -17.229 -2.577 1.00 0.00 C ATOM 916 CG GLN A 58 -63.357 -16.488 -3.888 1.00 0.00 C ATOM 917 CD GLN A 58 -64.866 -16.412 -4.131 1.00 0.00 C ATOM 918 OE1 GLN A 58 -65.631 -17.114 -3.501 1.00 0.00 O ATOM 919 NE2 GLN A 58 -65.330 -15.581 -5.025 1.00 0.00 N ATOM 0 H GLN A 58 -61.560 -18.487 -4.088 1.00 0.00 H new ATOM 0 HA GLN A 58 -61.164 -16.286 -2.380 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -63.504 -18.237 -2.627 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -63.590 -16.720 -1.752 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -62.934 -15.485 -3.844 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -62.870 -17.004 -4.715 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -64.688 -14.991 -5.555 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -66.334 -15.522 -5.194 1.00 0.00 H new ATOM 928 N ARG A 59 -61.025 -19.139 -0.852 1.00 0.00 N ATOM 929 CA ARG A 59 -60.762 -19.762 0.475 1.00 0.00 C ATOM 930 C ARG A 59 -59.554 -19.088 1.123 1.00 0.00 C ATOM 931 O ARG A 59 -59.576 -18.732 2.285 1.00 0.00 O ATOM 932 CB ARG A 59 -60.479 -21.255 0.293 1.00 0.00 C ATOM 933 CG ARG A 59 -60.551 -21.957 1.650 1.00 0.00 C ATOM 934 CD ARG A 59 -60.596 -23.472 1.439 1.00 0.00 C ATOM 935 NE ARG A 59 -60.525 -24.159 2.759 1.00 0.00 N ATOM 936 CZ ARG A 59 -61.554 -24.827 3.203 1.00 0.00 C ATOM 937 NH1 ARG A 59 -62.231 -24.379 4.225 1.00 0.00 N ATOM 938 NH2 ARG A 59 -61.904 -25.944 2.626 1.00 0.00 N ATOM 0 H ARG A 59 -60.952 -19.770 -1.650 1.00 0.00 H new ATOM 0 HA ARG A 59 -61.635 -19.635 1.115 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -61.204 -21.692 -0.394 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -59.494 -21.398 -0.150 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -59.686 -21.689 2.256 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -61.436 -21.629 2.195 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -61.513 -23.751 0.921 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -59.765 -23.787 0.808 1.00 0.00 H new ATOM 0 HE ARG A 59 -59.672 -24.107 3.316 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -61.956 -23.507 4.676 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -63.036 -24.901 4.572 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -61.373 -26.294 1.829 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -62.708 -26.467 2.973 1.00 0.00 H new ATOM 952 N CYS A 60 -58.502 -18.906 0.379 1.00 0.00 N ATOM 953 CA CYS A 60 -57.292 -18.251 0.948 1.00 0.00 C ATOM 954 C CYS A 60 -57.719 -17.031 1.762 1.00 0.00 C ATOM 955 O CYS A 60 -57.767 -17.064 2.976 1.00 0.00 O ATOM 956 CB CYS A 60 -56.369 -17.809 -0.191 1.00 0.00 C ATOM 957 SG CYS A 60 -54.968 -16.887 0.488 1.00 0.00 S ATOM 0 H CYS A 60 -58.426 -19.182 -0.600 1.00 0.00 H new ATOM 0 HA CYS A 60 -56.761 -18.953 1.591 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -56.012 -18.679 -0.742 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -56.919 -17.187 -0.898 1.00 0.00 H new ATOM 962 N CYS A 61 -58.031 -15.954 1.101 1.00 0.00 N ATOM 963 CA CYS A 61 -58.459 -14.728 1.829 1.00 0.00 C ATOM 964 C CYS A 61 -59.454 -15.112 2.926 1.00 0.00 C ATOM 965 O CYS A 61 -59.413 -14.594 4.025 1.00 0.00 O ATOM 966 CB CYS A 61 -59.125 -13.758 0.851 1.00 0.00 C ATOM 967 SG CYS A 61 -59.530 -12.218 1.712 1.00 0.00 S ATOM 0 H CYS A 61 -58.008 -15.869 0.085 1.00 0.00 H new ATOM 0 HA CYS A 61 -57.589 -14.248 2.277 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -58.458 -13.554 0.013 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -60.029 -14.205 0.438 1.00 0.00 H new ATOM 972 N ASP A 62 -60.345 -16.018 2.636 1.00 0.00 N ATOM 973 CA ASP A 62 -61.341 -16.438 3.662 1.00 0.00 C ATOM 974 C ASP A 62 -60.609 -16.945 4.904 1.00 0.00 C ATOM 975 O ASP A 62 -61.024 -16.710 6.022 1.00 0.00 O ATOM 976 CB ASP A 62 -62.222 -17.554 3.096 1.00 0.00 C ATOM 977 CG ASP A 62 -63.147 -16.978 2.023 1.00 0.00 C ATOM 978 OD1 ASP A 62 -63.193 -15.766 1.895 1.00 0.00 O ATOM 979 OD2 ASP A 62 -63.796 -17.760 1.347 1.00 0.00 O ATOM 0 H ASP A 62 -60.427 -16.486 1.733 1.00 0.00 H new ATOM 0 HA ASP A 62 -61.966 -15.586 3.930 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -61.601 -18.342 2.671 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -62.811 -18.007 3.894 1.00 0.00 H new ATOM 984 N GLU A 63 -59.517 -17.631 4.717 1.00 0.00 N ATOM 985 CA GLU A 63 -58.754 -18.148 5.887 1.00 0.00 C ATOM 986 C GLU A 63 -58.198 -16.966 6.682 1.00 0.00 C ATOM 987 O GLU A 63 -58.309 -16.909 7.890 1.00 0.00 O ATOM 988 CB GLU A 63 -57.599 -19.025 5.399 1.00 0.00 C ATOM 989 CG GLU A 63 -58.156 -20.341 4.852 1.00 0.00 C ATOM 990 CD GLU A 63 -57.000 -21.282 4.508 1.00 0.00 C ATOM 991 OE1 GLU A 63 -55.863 -20.856 4.626 1.00 0.00 O ATOM 992 OE2 GLU A 63 -57.272 -22.410 4.135 1.00 0.00 O ATOM 0 H GLU A 63 -59.120 -17.856 3.805 1.00 0.00 H new ATOM 0 HA GLU A 63 -59.412 -18.742 6.522 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -57.036 -18.506 4.624 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -56.907 -19.223 6.218 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -58.810 -20.806 5.590 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -58.761 -20.151 3.965 1.00 0.00 H new ATOM 999 N LEU A 64 -57.607 -16.016 6.009 1.00 0.00 N ATOM 1000 CA LEU A 64 -57.050 -14.833 6.723 1.00 0.00 C ATOM 1001 C LEU A 64 -58.192 -14.049 7.374 1.00 0.00 C ATOM 1002 O LEU A 64 -57.970 -13.129 8.135 1.00 0.00 O ATOM 1003 CB LEU A 64 -56.315 -13.934 5.728 1.00 0.00 C ATOM 1004 CG LEU A 64 -55.526 -12.870 6.492 1.00 0.00 C ATOM 1005 CD1 LEU A 64 -54.110 -13.382 6.765 1.00 0.00 C ATOM 1006 CD2 LEU A 64 -55.453 -11.590 5.656 1.00 0.00 C ATOM 0 H LEU A 64 -57.486 -16.009 4.996 1.00 0.00 H new ATOM 0 HA LEU A 64 -56.353 -15.167 7.491 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -55.641 -14.529 5.112 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -57.028 -13.460 5.054 1.00 0.00 H new ATOM 0 HG LEU A 64 -56.024 -12.658 7.438 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -53.548 -12.624 7.310 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -54.161 -14.293 7.361 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -53.611 -13.594 5.819 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -54.891 -10.831 6.200 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -54.955 -11.801 4.710 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -56.461 -11.224 5.462 1.00 0.00 H new ATOM 1018 N ASN A 65 -59.414 -14.410 7.086 1.00 0.00 N ATOM 1019 CA ASN A 65 -60.566 -13.688 7.694 1.00 0.00 C ATOM 1020 C ASN A 65 -60.810 -14.231 9.103 1.00 0.00 C ATOM 1021 O ASN A 65 -61.328 -13.545 9.962 1.00 0.00 O ATOM 1022 CB ASN A 65 -61.815 -13.904 6.839 1.00 0.00 C ATOM 1023 CG ASN A 65 -61.610 -13.267 5.463 1.00 0.00 C ATOM 1024 OD1 ASN A 65 -60.635 -12.575 5.240 1.00 0.00 O ATOM 1025 ND2 ASN A 65 -62.492 -13.472 4.524 1.00 0.00 N ATOM 0 H ASN A 65 -59.663 -15.173 6.456 1.00 0.00 H new ATOM 0 HA ASN A 65 -60.345 -12.622 7.744 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -62.015 -14.970 6.731 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -62.684 -13.465 7.329 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -62.364 -13.052 3.603 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -63.310 -14.052 4.710 1.00 0.00 H new ATOM 1032 N GLU A 66 -60.441 -15.459 9.347 1.00 0.00 N ATOM 1033 CA GLU A 66 -60.650 -16.046 10.701 1.00 0.00 C ATOM 1034 C GLU A 66 -59.345 -15.968 11.497 1.00 0.00 C ATOM 1035 O GLU A 66 -59.350 -15.821 12.702 1.00 0.00 O ATOM 1036 CB GLU A 66 -61.077 -17.509 10.561 1.00 0.00 C ATOM 1037 CG GLU A 66 -62.510 -17.574 10.030 1.00 0.00 C ATOM 1038 CD GLU A 66 -63.475 -17.071 11.105 1.00 0.00 C ATOM 1039 OE1 GLU A 66 -63.044 -16.914 12.235 1.00 0.00 O ATOM 1040 OE2 GLU A 66 -64.631 -16.851 10.778 1.00 0.00 O ATOM 0 H GLU A 66 -60.004 -16.081 8.667 1.00 0.00 H new ATOM 0 HA GLU A 66 -61.428 -15.489 11.224 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -60.403 -18.032 9.883 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -61.012 -18.012 11.526 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -62.603 -16.967 9.129 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -62.760 -18.598 9.752 1.00 0.00 H new ATOM 1093 N THR A 70 -53.207 -13.276 11.914 1.00 0.00 N ATOM 1094 CA THR A 70 -52.357 -13.013 10.718 1.00 0.00 C ATOM 1095 C THR A 70 -52.123 -11.507 10.576 1.00 0.00 C ATOM 1096 O THR A 70 -51.239 -11.072 9.865 1.00 0.00 O ATOM 1097 CB THR A 70 -53.063 -13.540 9.467 1.00 0.00 C ATOM 1098 OG1 THR A 70 -54.324 -12.900 9.332 1.00 0.00 O ATOM 1099 CG2 THR A 70 -53.266 -15.051 9.591 1.00 0.00 C ATOM 0 HA THR A 70 -51.398 -13.518 10.836 1.00 0.00 H new ATOM 0 HB THR A 70 -52.452 -13.329 8.589 1.00 0.00 H new ATOM 0 HG1 THR A 70 -54.744 -12.815 10.213 1.00 0.00 H new ATOM 0 HG21 THR A 70 -53.769 -15.425 8.699 1.00 0.00 H new ATOM 0 HG22 THR A 70 -52.298 -15.541 9.694 1.00 0.00 H new ATOM 0 HG23 THR A 70 -53.876 -15.265 10.468 1.00 0.00 H new ATOM 1107 N GLN A 71 -52.908 -10.708 11.246 1.00 0.00 N ATOM 1108 CA GLN A 71 -52.727 -9.232 11.146 1.00 0.00 C ATOM 1109 C GLN A 71 -51.286 -8.867 11.507 1.00 0.00 C ATOM 1110 O GLN A 71 -50.760 -9.295 12.516 1.00 0.00 O ATOM 1111 CB GLN A 71 -53.687 -8.535 12.113 1.00 0.00 C ATOM 1112 CG GLN A 71 -55.117 -8.648 11.582 1.00 0.00 C ATOM 1113 CD GLN A 71 -56.046 -7.775 12.429 1.00 0.00 C ATOM 1114 OE1 GLN A 71 -56.659 -6.854 11.926 1.00 0.00 O ATOM 1115 NE2 GLN A 71 -56.177 -8.026 13.703 1.00 0.00 N ATOM 0 H GLN A 71 -53.666 -11.013 11.857 1.00 0.00 H new ATOM 0 HA GLN A 71 -52.938 -8.909 10.127 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -53.618 -8.989 13.101 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -53.411 -7.486 12.224 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -55.155 -8.333 10.539 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -55.447 -9.686 11.614 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -55.663 -8.799 14.126 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -56.793 -7.449 14.276 1.00 0.00 H new ATOM 1124 N GLY A 72 -50.641 -8.080 10.690 1.00 0.00 N ATOM 1125 CA GLY A 72 -49.235 -7.687 10.987 1.00 0.00 C ATOM 1126 C GLY A 72 -48.284 -8.447 10.058 1.00 0.00 C ATOM 1127 O GLY A 72 -48.497 -9.601 9.745 1.00 0.00 O ATOM 0 H GLY A 72 -51.027 -7.692 9.829 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -49.110 -6.613 10.852 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -48.997 -7.907 12.028 1.00 0.00 H new ATOM 1131 N CYS A 73 -47.236 -7.807 9.616 1.00 0.00 N ATOM 1132 CA CYS A 73 -46.272 -8.492 8.709 1.00 0.00 C ATOM 1133 C CYS A 73 -46.985 -8.904 7.420 1.00 0.00 C ATOM 1134 O CYS A 73 -46.514 -9.746 6.681 1.00 0.00 O ATOM 1135 CB CYS A 73 -45.715 -9.736 9.404 1.00 0.00 C ATOM 1136 SG CYS A 73 -44.207 -9.301 10.305 1.00 0.00 S ATOM 0 H CYS A 73 -47.006 -6.840 9.844 1.00 0.00 H new ATOM 0 HA CYS A 73 -45.455 -7.812 8.469 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -46.456 -10.144 10.091 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -45.501 -10.511 8.668 1.00 0.00 H new ATOM 1141 N MET A 74 -48.117 -8.318 7.142 1.00 0.00 N ATOM 1142 CA MET A 74 -48.857 -8.677 5.900 1.00 0.00 C ATOM 1143 C MET A 74 -47.907 -8.614 4.702 1.00 0.00 C ATOM 1144 O MET A 74 -47.885 -9.495 3.866 1.00 0.00 O ATOM 1145 CB MET A 74 -50.009 -7.693 5.689 1.00 0.00 C ATOM 1146 CG MET A 74 -51.013 -7.831 6.836 1.00 0.00 C ATOM 1147 SD MET A 74 -51.573 -9.549 6.944 1.00 0.00 S ATOM 1148 CE MET A 74 -52.808 -9.468 5.624 1.00 0.00 C ATOM 0 H MET A 74 -48.561 -7.606 7.722 1.00 0.00 H new ATOM 0 HA MET A 74 -49.255 -9.687 5.995 1.00 0.00 H new ATOM 0 HB2 MET A 74 -49.627 -6.673 5.646 1.00 0.00 H new ATOM 0 HB3 MET A 74 -50.500 -7.890 4.736 1.00 0.00 H new ATOM 0 HG2 MET A 74 -50.552 -7.528 7.776 1.00 0.00 H new ATOM 0 HG3 MET A 74 -51.864 -7.170 6.671 1.00 0.00 H new ATOM 0 HE1 MET A 74 -52.965 -10.464 5.211 1.00 0.00 H new ATOM 0 HE2 MET A 74 -53.748 -9.091 6.028 1.00 0.00 H new ATOM 0 HE3 MET A 74 -52.457 -8.800 4.838 1.00 0.00 H new ATOM 1158 N CYS A 75 -47.120 -7.576 4.611 1.00 0.00 N ATOM 1159 CA CYS A 75 -46.173 -7.458 3.467 1.00 0.00 C ATOM 1160 C CYS A 75 -45.208 -8.644 3.481 1.00 0.00 C ATOM 1161 O CYS A 75 -44.849 -9.176 2.448 1.00 0.00 O ATOM 1162 CB CYS A 75 -45.383 -6.154 3.591 1.00 0.00 C ATOM 1163 SG CYS A 75 -46.467 -4.753 3.217 1.00 0.00 S ATOM 0 H CYS A 75 -47.092 -6.806 5.279 1.00 0.00 H new ATOM 0 HA CYS A 75 -46.731 -7.455 2.531 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -44.979 -6.056 4.598 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -44.535 -6.164 2.907 1.00 0.00 H new ATOM 0 HG CYS A 75 -45.796 -3.645 3.325 1.00 0.00 H new ATOM 1168 N GLU A 76 -44.786 -9.066 4.641 1.00 0.00 N ATOM 1169 CA GLU A 76 -43.848 -10.221 4.715 1.00 0.00 C ATOM 1170 C GLU A 76 -44.551 -11.473 4.188 1.00 0.00 C ATOM 1171 O GLU A 76 -43.921 -12.406 3.728 1.00 0.00 O ATOM 1172 CB GLU A 76 -43.426 -10.444 6.168 1.00 0.00 C ATOM 1173 CG GLU A 76 -42.709 -9.197 6.689 1.00 0.00 C ATOM 1174 CD GLU A 76 -41.487 -8.909 5.816 1.00 0.00 C ATOM 1175 OE1 GLU A 76 -41.050 -9.816 5.126 1.00 0.00 O ATOM 1176 OE2 GLU A 76 -41.008 -7.787 5.851 1.00 0.00 O ATOM 0 H GLU A 76 -45.050 -8.662 5.540 1.00 0.00 H new ATOM 0 HA GLU A 76 -42.964 -10.016 4.111 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -44.300 -10.657 6.783 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -42.768 -11.310 6.238 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -43.387 -8.343 6.677 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -42.402 -9.347 7.724 1.00 0.00 H new ATOM 1183 N ALA A 77 -45.853 -11.493 4.240 1.00 0.00 N ATOM 1184 CA ALA A 77 -46.598 -12.678 3.732 1.00 0.00 C ATOM 1185 C ALA A 77 -46.685 -12.592 2.210 1.00 0.00 C ATOM 1186 O ALA A 77 -46.223 -13.466 1.502 1.00 0.00 O ATOM 1187 CB ALA A 77 -48.008 -12.695 4.328 1.00 0.00 C ATOM 0 H ALA A 77 -46.433 -10.741 4.612 1.00 0.00 H new ATOM 0 HA ALA A 77 -46.079 -13.592 4.021 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -48.551 -13.563 3.954 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -47.943 -12.748 5.415 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -48.536 -11.786 4.040 1.00 0.00 H new ATOM 1193 N LEU A 78 -47.262 -11.541 1.696 1.00 0.00 N ATOM 1194 CA LEU A 78 -47.358 -11.401 0.219 1.00 0.00 C ATOM 1195 C LEU A 78 -45.947 -11.427 -0.365 1.00 0.00 C ATOM 1196 O LEU A 78 -45.669 -12.127 -1.319 1.00 0.00 O ATOM 1197 CB LEU A 78 -48.034 -10.074 -0.131 1.00 0.00 C ATOM 1198 CG LEU A 78 -48.412 -10.073 -1.613 1.00 0.00 C ATOM 1199 CD1 LEU A 78 -49.528 -11.092 -1.854 1.00 0.00 C ATOM 1200 CD2 LEU A 78 -48.898 -8.680 -2.016 1.00 0.00 C ATOM 0 H LEU A 78 -47.669 -10.776 2.234 1.00 0.00 H new ATOM 0 HA LEU A 78 -47.949 -12.218 -0.194 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -48.924 -9.933 0.483 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -47.363 -9.243 0.085 1.00 0.00 H new ATOM 0 HG LEU A 78 -47.540 -10.339 -2.210 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -49.799 -11.092 -2.910 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -49.182 -12.085 -1.568 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -50.400 -10.825 -1.256 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -49.167 -8.680 -3.072 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -49.770 -8.412 -1.419 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -48.104 -7.954 -1.844 1.00 0.00 H new ATOM 1212 N GLN A 79 -45.049 -10.672 0.209 1.00 0.00 N ATOM 1213 CA GLN A 79 -43.652 -10.656 -0.302 1.00 0.00 C ATOM 1214 C GLN A 79 -43.118 -12.086 -0.346 1.00 0.00 C ATOM 1215 O GLN A 79 -42.444 -12.480 -1.277 1.00 0.00 O ATOM 1216 CB GLN A 79 -42.777 -9.809 0.623 1.00 0.00 C ATOM 1217 CG GLN A 79 -41.403 -9.607 -0.018 1.00 0.00 C ATOM 1218 CD GLN A 79 -40.528 -8.760 0.908 1.00 0.00 C ATOM 1219 OE1 GLN A 79 -40.991 -8.265 1.916 1.00 0.00 O ATOM 1220 NE2 GLN A 79 -39.273 -8.570 0.605 1.00 0.00 N ATOM 0 H GLN A 79 -45.225 -10.066 1.010 1.00 0.00 H new ATOM 0 HA GLN A 79 -43.633 -10.227 -1.304 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -43.250 -8.844 0.806 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -42.670 -10.300 1.590 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -40.930 -10.572 -0.201 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -41.510 -9.116 -0.985 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -38.884 -8.986 -0.241 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -38.681 -8.006 1.215 1.00 0.00 H new ATOM 1229 N GLN A 80 -43.420 -12.871 0.651 1.00 0.00 N ATOM 1230 CA GLN A 80 -42.932 -14.278 0.658 1.00 0.00 C ATOM 1231 C GLN A 80 -43.524 -15.018 -0.541 1.00 0.00 C ATOM 1232 O GLN A 80 -42.845 -15.760 -1.222 1.00 0.00 O ATOM 1233 CB GLN A 80 -43.369 -14.967 1.953 1.00 0.00 C ATOM 1234 CG GLN A 80 -42.673 -16.325 2.068 1.00 0.00 C ATOM 1235 CD GLN A 80 -41.184 -16.112 2.349 1.00 0.00 C ATOM 1236 OE1 GLN A 80 -40.819 -15.514 3.342 1.00 0.00 O ATOM 1237 NE2 GLN A 80 -40.300 -16.580 1.510 1.00 0.00 N ATOM 0 H GLN A 80 -43.982 -12.600 1.458 1.00 0.00 H new ATOM 0 HA GLN A 80 -41.844 -14.289 0.596 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -43.118 -14.344 2.812 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -44.451 -15.099 1.960 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -43.125 -16.911 2.868 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -42.803 -16.892 1.146 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -40.604 -17.082 0.676 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -39.305 -16.443 1.689 1.00 0.00 H new ATOM 1246 N ILE A 81 -44.785 -14.815 -0.811 1.00 0.00 N ATOM 1247 CA ILE A 81 -45.415 -15.500 -1.972 1.00 0.00 C ATOM 1248 C ILE A 81 -44.563 -15.250 -3.217 1.00 0.00 C ATOM 1249 O ILE A 81 -44.004 -16.162 -3.797 1.00 0.00 O ATOM 1250 CB ILE A 81 -46.821 -14.941 -2.193 1.00 0.00 C ATOM 1251 CG1 ILE A 81 -47.691 -15.244 -0.972 1.00 0.00 C ATOM 1252 CG2 ILE A 81 -47.440 -15.592 -3.431 1.00 0.00 C ATOM 1253 CD1 ILE A 81 -49.061 -14.585 -1.144 1.00 0.00 C ATOM 0 H ILE A 81 -45.404 -14.205 -0.278 1.00 0.00 H new ATOM 0 HA ILE A 81 -45.481 -16.571 -1.779 1.00 0.00 H new ATOM 0 HB ILE A 81 -46.762 -13.862 -2.338 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -47.806 -16.321 -0.853 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -47.209 -14.873 -0.068 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -48.442 -15.194 -3.589 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -46.822 -15.376 -4.303 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -47.497 -16.671 -3.285 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -49.681 -14.801 -0.274 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -48.936 -13.507 -1.242 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -49.544 -14.977 -2.039 1.00 0.00 H new ATOM 1265 N MET A 82 -44.450 -14.017 -3.630 1.00 0.00 N ATOM 1266 CA MET A 82 -43.627 -13.713 -4.831 1.00 0.00 C ATOM 1267 C MET A 82 -42.298 -14.459 -4.728 1.00 0.00 C ATOM 1268 O MET A 82 -41.892 -15.158 -5.634 1.00 0.00 O ATOM 1269 CB MET A 82 -43.364 -12.207 -4.902 1.00 0.00 C ATOM 1270 CG MET A 82 -44.684 -11.470 -5.139 1.00 0.00 C ATOM 1271 SD MET A 82 -44.349 -9.717 -5.445 1.00 0.00 S ATOM 1272 CE MET A 82 -43.513 -9.922 -7.038 1.00 0.00 C ATOM 0 H MET A 82 -44.891 -13.210 -3.188 1.00 0.00 H new ATOM 0 HA MET A 82 -44.157 -14.029 -5.730 1.00 0.00 H new ATOM 0 HB2 MET A 82 -42.904 -11.863 -3.975 1.00 0.00 H new ATOM 0 HB3 MET A 82 -42.663 -11.987 -5.707 1.00 0.00 H new ATOM 0 HG2 MET A 82 -45.208 -11.905 -5.990 1.00 0.00 H new ATOM 0 HG3 MET A 82 -45.336 -11.581 -4.272 1.00 0.00 H new ATOM 0 HE1 MET A 82 -43.902 -9.194 -7.749 1.00 0.00 H new ATOM 0 HE2 MET A 82 -42.442 -9.767 -6.909 1.00 0.00 H new ATOM 0 HE3 MET A 82 -43.691 -10.929 -7.416 1.00 0.00 H new ATOM 1282 N GLU A 83 -41.623 -14.328 -3.623 1.00 0.00 N ATOM 1283 CA GLU A 83 -40.326 -15.036 -3.459 1.00 0.00 C ATOM 1284 C GLU A 83 -40.580 -16.544 -3.434 1.00 0.00 C ATOM 1285 O GLU A 83 -39.690 -17.338 -3.665 1.00 0.00 O ATOM 1286 CB GLU A 83 -39.669 -14.605 -2.145 1.00 0.00 C ATOM 1287 CG GLU A 83 -39.297 -13.123 -2.227 1.00 0.00 C ATOM 1288 CD GLU A 83 -38.738 -12.662 -0.879 1.00 0.00 C ATOM 1289 OE1 GLU A 83 -38.466 -13.515 -0.051 1.00 0.00 O ATOM 1290 OE2 GLU A 83 -38.592 -11.464 -0.698 1.00 0.00 O ATOM 0 H GLU A 83 -41.913 -13.761 -2.826 1.00 0.00 H new ATOM 0 HA GLU A 83 -39.664 -14.788 -4.289 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -40.351 -14.775 -1.312 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -38.779 -15.205 -1.956 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -38.558 -12.966 -3.012 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -40.173 -12.531 -2.491 1.00 0.00 H new ATOM 1297 N ASN A 84 -41.792 -16.942 -3.160 1.00 0.00 N ATOM 1298 CA ASN A 84 -42.107 -18.396 -3.126 1.00 0.00 C ATOM 1299 C ASN A 84 -42.192 -18.927 -4.557 1.00 0.00 C ATOM 1300 O ASN A 84 -42.077 -20.113 -4.794 1.00 0.00 O ATOM 1301 CB ASN A 84 -43.446 -18.618 -2.418 1.00 0.00 C ATOM 1302 CG ASN A 84 -43.304 -18.272 -0.935 1.00 0.00 C ATOM 1303 OD1 ASN A 84 -42.206 -18.133 -0.433 1.00 0.00 O ATOM 1304 ND2 ASN A 84 -44.377 -18.127 -0.206 1.00 0.00 N ATOM 0 H ASN A 84 -42.577 -16.323 -2.958 1.00 0.00 H new ATOM 0 HA ASN A 84 -41.323 -18.925 -2.584 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -44.218 -17.998 -2.874 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -43.762 -19.655 -2.532 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -44.294 -17.897 0.784 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -45.299 -18.243 -0.627 1.00 0.00 H new ATOM 1311 N GLN A 85 -42.389 -18.062 -5.517 1.00 0.00 N ATOM 1312 CA GLN A 85 -42.473 -18.533 -6.929 1.00 0.00 C ATOM 1313 C GLN A 85 -42.545 -17.333 -7.881 1.00 0.00 C ATOM 1314 O GLN A 85 -43.422 -17.247 -8.717 1.00 0.00 O ATOM 1315 CB GLN A 85 -43.727 -19.393 -7.105 1.00 0.00 C ATOM 1316 CG GLN A 85 -43.708 -20.041 -8.492 1.00 0.00 C ATOM 1317 CD GLN A 85 -44.977 -20.874 -8.683 1.00 0.00 C ATOM 1318 OE1 GLN A 85 -45.706 -21.119 -7.741 1.00 0.00 O ATOM 1319 NE2 GLN A 85 -45.275 -21.324 -9.871 1.00 0.00 N ATOM 0 H GLN A 85 -42.495 -17.056 -5.385 1.00 0.00 H new ATOM 0 HA GLN A 85 -41.585 -19.121 -7.161 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -43.766 -20.161 -6.333 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -44.621 -18.780 -6.990 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -43.645 -19.273 -9.263 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -42.826 -20.673 -8.598 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -44.664 -21.119 -10.662 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -46.119 -21.881 -10.009 1.00 0.00 H new ATOM 1328 N CYS A 86 -41.626 -16.410 -7.772 1.00 0.00 N ATOM 1329 CA CYS A 86 -41.647 -15.228 -8.685 1.00 0.00 C ATOM 1330 C CYS A 86 -40.430 -15.280 -9.611 1.00 0.00 C ATOM 1331 O CYS A 86 -40.132 -14.333 -10.313 1.00 0.00 O ATOM 1332 CB CYS A 86 -41.606 -13.935 -7.866 1.00 0.00 C ATOM 1333 SG CYS A 86 -40.008 -13.801 -7.024 1.00 0.00 S ATOM 0 H CYS A 86 -40.865 -16.422 -7.093 1.00 0.00 H new ATOM 0 HA CYS A 86 -42.562 -15.249 -9.277 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -41.759 -13.075 -8.518 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -42.415 -13.929 -7.136 1.00 0.00 H new ATOM 0 HG CYS A 86 -39.974 -12.702 -6.330 1.00 0.00 H new ATOM 1338 N ASP A 87 -39.724 -16.377 -9.617 1.00 0.00 N ATOM 1339 CA ASP A 87 -38.525 -16.486 -10.496 1.00 0.00 C ATOM 1340 C ASP A 87 -38.871 -15.982 -11.899 1.00 0.00 C ATOM 1341 O ASP A 87 -38.073 -15.337 -12.550 1.00 0.00 O ATOM 1342 CB ASP A 87 -38.083 -17.949 -10.576 1.00 0.00 C ATOM 1343 CG ASP A 87 -36.732 -18.035 -11.290 1.00 0.00 C ATOM 1344 OD1 ASP A 87 -35.723 -17.854 -10.630 1.00 0.00 O ATOM 1345 OD2 ASP A 87 -36.731 -18.281 -12.484 1.00 0.00 O ATOM 0 H ASP A 87 -39.925 -17.202 -9.052 1.00 0.00 H new ATOM 0 HA ASP A 87 -37.717 -15.883 -10.083 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -38.005 -18.372 -9.574 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -38.828 -18.536 -11.113 1.00 0.00 H new ATOM 1350 N ARG A 88 -40.052 -16.273 -12.372 1.00 0.00 N ATOM 1351 CA ARG A 88 -40.442 -15.810 -13.734 1.00 0.00 C ATOM 1352 C ARG A 88 -41.100 -14.432 -13.638 1.00 0.00 C ATOM 1353 O ARG A 88 -41.274 -13.748 -14.627 1.00 0.00 O ATOM 1354 CB ARG A 88 -41.430 -16.805 -14.347 1.00 0.00 C ATOM 1355 CG ARG A 88 -41.612 -16.489 -15.833 1.00 0.00 C ATOM 1356 CD ARG A 88 -42.595 -17.487 -16.449 1.00 0.00 C ATOM 1357 NE ARG A 88 -43.978 -17.158 -16.007 1.00 0.00 N ATOM 1358 CZ ARG A 88 -44.827 -16.637 -16.852 1.00 0.00 C ATOM 1359 NH1 ARG A 88 -44.971 -15.342 -16.917 1.00 0.00 N ATOM 1360 NH2 ARG A 88 -45.530 -17.413 -17.632 1.00 0.00 N ATOM 0 H ARG A 88 -40.763 -16.810 -11.875 1.00 0.00 H new ATOM 0 HA ARG A 88 -39.554 -15.744 -14.362 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -41.062 -17.823 -14.223 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -42.389 -16.747 -13.831 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -41.984 -15.472 -15.957 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -40.653 -16.542 -16.347 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -42.531 -17.452 -17.537 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -42.337 -18.502 -16.147 1.00 0.00 H new ATOM 0 HE ARG A 88 -44.263 -17.339 -15.044 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -44.421 -14.736 -16.308 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -45.634 -14.935 -17.577 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -45.416 -18.425 -17.581 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -46.193 -17.007 -18.292 1.00 0.00 H new ATOM 1374 N LEU A 89 -41.463 -14.017 -12.456 1.00 0.00 N ATOM 1375 CA LEU A 89 -42.108 -12.683 -12.301 1.00 0.00 C ATOM 1376 C LEU A 89 -41.129 -11.593 -12.744 1.00 0.00 C ATOM 1377 O LEU A 89 -41.524 -10.534 -13.191 1.00 0.00 O ATOM 1378 CB LEU A 89 -42.486 -12.467 -10.833 1.00 0.00 C ATOM 1379 CG LEU A 89 -43.408 -11.250 -10.711 1.00 0.00 C ATOM 1380 CD1 LEU A 89 -42.597 -9.971 -10.927 1.00 0.00 C ATOM 1381 CD2 LEU A 89 -44.514 -11.336 -11.764 1.00 0.00 C ATOM 0 H LEU A 89 -41.341 -14.544 -11.591 1.00 0.00 H new ATOM 0 HA LEU A 89 -43.007 -12.637 -12.916 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -42.985 -13.354 -10.442 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -41.588 -12.316 -10.235 1.00 0.00 H new ATOM 0 HG LEU A 89 -43.855 -11.234 -9.717 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -43.253 -9.105 -10.840 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -41.811 -9.907 -10.175 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -42.148 -9.988 -11.920 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -45.169 -10.469 -11.675 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -44.069 -11.354 -12.759 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -45.094 -12.246 -11.609 1.00 0.00 H new ATOM 1393 N GLN A 90 -39.854 -11.844 -12.626 1.00 0.00 N ATOM 1394 CA GLN A 90 -38.850 -10.825 -13.041 1.00 0.00 C ATOM 1395 C GLN A 90 -39.038 -10.498 -14.525 1.00 0.00 C ATOM 1396 O GLN A 90 -38.693 -9.428 -14.982 1.00 0.00 O ATOM 1397 CB GLN A 90 -37.440 -11.375 -12.815 1.00 0.00 C ATOM 1398 CG GLN A 90 -37.208 -11.585 -11.318 1.00 0.00 C ATOM 1399 CD GLN A 90 -35.817 -12.182 -11.094 1.00 0.00 C ATOM 1400 OE1 GLN A 90 -35.215 -12.708 -12.009 1.00 0.00 O ATOM 1401 NE2 GLN A 90 -35.279 -12.124 -9.907 1.00 0.00 N ATOM 0 H GLN A 90 -39.464 -12.712 -12.259 1.00 0.00 H new ATOM 0 HA GLN A 90 -38.986 -9.920 -12.449 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -37.316 -12.317 -13.349 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -36.700 -10.682 -13.215 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -37.297 -10.636 -10.789 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -37.970 -12.250 -10.911 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -35.784 -11.682 -9.139 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -34.353 -12.520 -9.747 1.00 0.00 H new ATOM 1410 N ASP A 91 -39.584 -11.413 -15.279 1.00 0.00 N ATOM 1411 CA ASP A 91 -39.794 -11.153 -16.730 1.00 0.00 C ATOM 1412 C ASP A 91 -40.858 -10.068 -16.903 1.00 0.00 C ATOM 1413 O ASP A 91 -41.820 -10.006 -16.164 1.00 0.00 O ATOM 1414 CB ASP A 91 -40.259 -12.438 -17.418 1.00 0.00 C ATOM 1415 CG ASP A 91 -39.123 -13.463 -17.408 1.00 0.00 C ATOM 1416 OD1 ASP A 91 -38.006 -13.076 -17.104 1.00 0.00 O ATOM 1417 OD2 ASP A 91 -39.389 -14.616 -17.705 1.00 0.00 O ATOM 0 H ASP A 91 -39.893 -12.328 -14.952 1.00 0.00 H new ATOM 0 HA ASP A 91 -38.858 -10.820 -17.179 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -41.132 -12.842 -16.905 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -40.562 -12.225 -18.443 1.00 0.00 H new ATOM 1422 N ARG A 92 -40.694 -9.212 -17.874 1.00 0.00 N ATOM 1423 CA ARG A 92 -41.697 -8.131 -18.092 1.00 0.00 C ATOM 1424 C ARG A 92 -43.101 -8.739 -18.126 1.00 0.00 C ATOM 1425 O ARG A 92 -44.085 -8.065 -17.898 1.00 0.00 O ATOM 1426 CB ARG A 92 -41.412 -7.432 -19.423 1.00 0.00 C ATOM 1427 CG ARG A 92 -40.044 -6.749 -19.356 1.00 0.00 C ATOM 1428 CD ARG A 92 -39.811 -5.947 -20.639 1.00 0.00 C ATOM 1429 NE ARG A 92 -38.420 -5.414 -20.644 1.00 0.00 N ATOM 1430 CZ ARG A 92 -37.414 -6.214 -20.416 1.00 0.00 C ATOM 1431 NH1 ARG A 92 -36.713 -6.681 -21.413 1.00 0.00 N ATOM 1432 NH2 ARG A 92 -37.109 -6.546 -19.192 1.00 0.00 N ATOM 0 H ARG A 92 -39.909 -9.214 -18.526 1.00 0.00 H new ATOM 0 HA ARG A 92 -41.634 -7.406 -17.280 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -41.430 -8.156 -20.238 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -42.188 -6.696 -19.633 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -39.997 -6.090 -18.489 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -39.259 -7.495 -19.233 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -39.973 -6.580 -21.511 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -40.526 -5.127 -20.703 1.00 0.00 H new ATOM 0 HE ARG A 92 -38.254 -4.424 -20.826 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -36.951 -6.421 -22.370 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -35.927 -7.306 -21.235 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -37.657 -6.181 -18.413 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -36.323 -7.171 -19.014 1.00 0.00 H new ATOM 1446 N GLN A 93 -43.201 -10.009 -18.408 1.00 0.00 N ATOM 1447 CA GLN A 93 -44.541 -10.660 -18.457 1.00 0.00 C ATOM 1448 C GLN A 93 -44.986 -11.022 -17.039 1.00 0.00 C ATOM 1449 O GLN A 93 -44.209 -11.502 -16.237 1.00 0.00 O ATOM 1450 CB GLN A 93 -44.457 -11.930 -19.307 1.00 0.00 C ATOM 1451 CG GLN A 93 -44.137 -11.554 -20.754 1.00 0.00 C ATOM 1452 CD GLN A 93 -44.021 -12.826 -21.598 1.00 0.00 C ATOM 1453 OE1 GLN A 93 -43.898 -13.912 -21.067 1.00 0.00 O ATOM 1454 NE2 GLN A 93 -44.059 -12.736 -22.899 1.00 0.00 N ATOM 0 H GLN A 93 -42.412 -10.624 -18.607 1.00 0.00 H new ATOM 0 HA GLN A 93 -45.264 -9.974 -18.898 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -43.687 -12.594 -18.914 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -45.400 -12.474 -19.261 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -44.919 -10.909 -21.155 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -43.205 -10.990 -20.797 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -44.162 -11.824 -23.344 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -43.985 -13.577 -23.471 1.00 0.00 H new ATOM 1463 N MET A 94 -46.233 -10.800 -16.724 1.00 0.00 N ATOM 1464 CA MET A 94 -46.730 -11.134 -15.360 1.00 0.00 C ATOM 1465 C MET A 94 -46.264 -10.067 -14.368 1.00 0.00 C ATOM 1466 O MET A 94 -46.557 -10.130 -13.190 1.00 0.00 O ATOM 1467 CB MET A 94 -46.181 -12.498 -14.938 1.00 0.00 C ATOM 1468 CG MET A 94 -47.119 -13.130 -13.908 1.00 0.00 C ATOM 1469 SD MET A 94 -46.176 -14.234 -12.826 1.00 0.00 S ATOM 1470 CE MET A 94 -46.652 -13.471 -11.255 1.00 0.00 C ATOM 0 H MET A 94 -46.929 -10.401 -17.354 1.00 0.00 H new ATOM 0 HA MET A 94 -47.819 -11.167 -15.370 1.00 0.00 H new ATOM 0 HB2 MET A 94 -46.087 -13.149 -15.807 1.00 0.00 H new ATOM 0 HB3 MET A 94 -45.183 -12.385 -14.515 1.00 0.00 H new ATOM 0 HG2 MET A 94 -47.604 -12.353 -13.318 1.00 0.00 H new ATOM 0 HG3 MET A 94 -47.909 -13.686 -14.413 1.00 0.00 H new ATOM 0 HE1 MET A 94 -45.840 -13.581 -10.536 1.00 0.00 H new ATOM 0 HE2 MET A 94 -46.857 -12.412 -11.412 1.00 0.00 H new ATOM 0 HE3 MET A 94 -47.546 -13.960 -10.869 1.00 0.00 H new ATOM 1480 N VAL A 95 -45.538 -9.085 -14.832 1.00 0.00 N ATOM 1481 CA VAL A 95 -45.055 -8.017 -13.912 1.00 0.00 C ATOM 1482 C VAL A 95 -46.206 -7.065 -13.582 1.00 0.00 C ATOM 1483 O VAL A 95 -46.950 -7.276 -12.644 1.00 0.00 O ATOM 1484 CB VAL A 95 -43.925 -7.236 -14.584 1.00 0.00 C ATOM 1485 CG1 VAL A 95 -43.626 -5.973 -13.774 1.00 0.00 C ATOM 1486 CG2 VAL A 95 -42.671 -8.109 -14.651 1.00 0.00 C ATOM 0 H VAL A 95 -45.259 -8.977 -15.807 1.00 0.00 H new ATOM 0 HA VAL A 95 -44.686 -8.472 -12.993 1.00 0.00 H new ATOM 0 HB VAL A 95 -44.227 -6.957 -15.593 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -42.821 -5.416 -14.253 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -44.520 -5.351 -13.727 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -43.324 -6.251 -12.764 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -41.865 -7.552 -15.130 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -42.368 -8.389 -13.642 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -42.884 -9.008 -15.229 1.00 0.00 H new ATOM 1496 N GLN A 96 -46.357 -6.016 -14.343 1.00 0.00 N ATOM 1497 CA GLN A 96 -47.459 -5.049 -14.070 1.00 0.00 C ATOM 1498 C GLN A 96 -48.753 -5.815 -13.802 1.00 0.00 C ATOM 1499 O GLN A 96 -49.479 -5.521 -12.872 1.00 0.00 O ATOM 1500 CB GLN A 96 -47.649 -4.134 -15.282 1.00 0.00 C ATOM 1501 CG GLN A 96 -46.341 -3.394 -15.573 1.00 0.00 C ATOM 1502 CD GLN A 96 -46.497 -2.564 -16.849 1.00 0.00 C ATOM 1503 OE1 GLN A 96 -47.380 -2.813 -17.645 1.00 0.00 O ATOM 1504 NE2 GLN A 96 -45.670 -1.580 -17.077 1.00 0.00 N ATOM 0 H GLN A 96 -45.766 -5.786 -15.142 1.00 0.00 H new ATOM 0 HA GLN A 96 -47.205 -4.447 -13.198 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -47.948 -4.721 -16.151 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -48.449 -3.419 -15.089 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -46.083 -2.747 -14.735 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -45.525 -4.107 -15.688 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -44.929 -1.371 -16.408 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -45.765 -1.020 -17.924 1.00 0.00 H new ATOM 1513 N GLN A 97 -49.045 -6.796 -14.606 1.00 0.00 N ATOM 1514 CA GLN A 97 -50.292 -7.584 -14.397 1.00 0.00 C ATOM 1515 C GLN A 97 -50.300 -8.146 -12.974 1.00 0.00 C ATOM 1516 O GLN A 97 -51.158 -7.828 -12.175 1.00 0.00 O ATOM 1517 CB GLN A 97 -50.343 -8.736 -15.402 1.00 0.00 C ATOM 1518 CG GLN A 97 -50.622 -8.180 -16.801 1.00 0.00 C ATOM 1519 CD GLN A 97 -50.783 -9.338 -17.787 1.00 0.00 C ATOM 1520 OE1 GLN A 97 -50.491 -10.472 -17.463 1.00 0.00 O ATOM 1521 NE2 GLN A 97 -51.241 -9.100 -18.986 1.00 0.00 N ATOM 0 H GLN A 97 -48.475 -7.088 -15.400 1.00 0.00 H new ATOM 0 HA GLN A 97 -51.160 -6.941 -14.541 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -49.398 -9.280 -15.397 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -51.121 -9.446 -15.119 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -51.526 -7.571 -16.788 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -49.805 -7.531 -17.116 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -51.486 -8.148 -19.259 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -51.354 -9.866 -19.650 1.00 0.00 H new ATOM 1530 N PHE A 98 -49.350 -8.980 -12.651 1.00 0.00 N ATOM 1531 CA PHE A 98 -49.310 -9.557 -11.279 1.00 0.00 C ATOM 1532 C PHE A 98 -49.306 -8.421 -10.257 1.00 0.00 C ATOM 1533 O PHE A 98 -49.939 -8.500 -9.224 1.00 0.00 O ATOM 1534 CB PHE A 98 -48.048 -10.404 -11.099 1.00 0.00 C ATOM 1535 CG PHE A 98 -48.078 -11.069 -9.740 1.00 0.00 C ATOM 1536 CD1 PHE A 98 -49.285 -11.164 -9.031 1.00 0.00 C ATOM 1537 CD2 PHE A 98 -46.902 -11.593 -9.188 1.00 0.00 C ATOM 1538 CE1 PHE A 98 -49.313 -11.779 -7.775 1.00 0.00 C ATOM 1539 CE2 PHE A 98 -46.932 -12.207 -7.930 1.00 0.00 C ATOM 1540 CZ PHE A 98 -48.137 -12.300 -7.224 1.00 0.00 C ATOM 0 H PHE A 98 -48.603 -9.285 -13.275 1.00 0.00 H new ATOM 0 HA PHE A 98 -50.186 -10.189 -11.131 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -47.988 -11.158 -11.884 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -47.160 -9.778 -11.190 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -50.193 -10.762 -9.455 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -45.972 -11.523 -9.733 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -50.243 -11.852 -7.230 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -46.025 -12.609 -7.504 1.00 0.00 H new ATOM 0 HZ PHE A 98 -48.159 -12.774 -6.254 1.00 0.00 H new ATOM 1550 N LYS A 99 -48.598 -7.365 -10.539 1.00 0.00 N ATOM 1551 CA LYS A 99 -48.556 -6.222 -9.585 1.00 0.00 C ATOM 1552 C LYS A 99 -49.967 -5.667 -9.402 1.00 0.00 C ATOM 1553 O LYS A 99 -50.388 -5.356 -8.305 1.00 0.00 O ATOM 1554 CB LYS A 99 -47.641 -5.127 -10.135 1.00 0.00 C ATOM 1555 CG LYS A 99 -47.398 -4.075 -9.052 1.00 0.00 C ATOM 1556 CD LYS A 99 -46.478 -2.982 -9.599 1.00 0.00 C ATOM 1557 CE LYS A 99 -46.122 -2.007 -8.475 1.00 0.00 C ATOM 1558 NZ LYS A 99 -45.145 -2.649 -7.551 1.00 0.00 N ATOM 0 H LYS A 99 -48.046 -7.243 -11.388 1.00 0.00 H new ATOM 0 HA LYS A 99 -48.170 -6.563 -8.624 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -46.693 -5.558 -10.458 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -48.095 -4.664 -11.011 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -48.346 -3.641 -8.732 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -46.948 -4.539 -8.174 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -45.572 -3.426 -10.010 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -46.970 -2.451 -10.414 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -45.698 -1.094 -8.892 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -47.021 -1.721 -7.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -44.687 -1.919 -6.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -45.642 -3.323 -6.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -44.423 -3.153 -8.105 1.00 0.00 H new ATOM 1572 N ARG A 100 -50.703 -5.546 -10.470 1.00 0.00 N ATOM 1573 CA ARG A 100 -52.091 -5.017 -10.360 1.00 0.00 C ATOM 1574 C ARG A 100 -52.918 -5.973 -9.502 1.00 0.00 C ATOM 1575 O ARG A 100 -53.525 -5.579 -8.526 1.00 0.00 O ATOM 1576 CB ARG A 100 -52.710 -4.912 -11.756 1.00 0.00 C ATOM 1577 CG ARG A 100 -54.047 -4.175 -11.666 1.00 0.00 C ATOM 1578 CD ARG A 100 -54.608 -3.968 -13.074 1.00 0.00 C ATOM 1579 NE ARG A 100 -55.830 -3.118 -13.004 1.00 0.00 N ATOM 1580 CZ ARG A 100 -56.635 -3.048 -14.028 1.00 0.00 C ATOM 1581 NH1 ARG A 100 -56.528 -2.060 -14.875 1.00 0.00 N ATOM 1582 NH2 ARG A 100 -57.548 -3.964 -14.206 1.00 0.00 N ATOM 0 H ARG A 100 -50.404 -5.790 -11.414 1.00 0.00 H new ATOM 0 HA ARG A 100 -52.076 -4.029 -9.900 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -52.034 -4.381 -12.426 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -52.858 -5.907 -12.176 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -54.751 -4.748 -11.063 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -53.912 -3.213 -11.171 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -53.859 -3.495 -13.709 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -54.847 -4.930 -13.526 1.00 0.00 H new ATOM 0 HE ARG A 100 -56.037 -2.591 -12.156 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -55.815 -1.344 -14.736 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -57.157 -2.005 -15.676 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -57.632 -4.735 -13.544 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -58.177 -3.908 -15.007 1.00 0.00 H new ATOM 1596 N GLU A 101 -52.938 -7.229 -9.851 1.00 0.00 N ATOM 1597 CA GLU A 101 -53.716 -8.208 -9.045 1.00 0.00 C ATOM 1598 C GLU A 101 -53.081 -8.320 -7.659 1.00 0.00 C ATOM 1599 O GLU A 101 -53.762 -8.388 -6.655 1.00 0.00 O ATOM 1600 CB GLU A 101 -53.689 -9.575 -9.733 1.00 0.00 C ATOM 1601 CG GLU A 101 -54.300 -9.453 -11.131 1.00 0.00 C ATOM 1602 CD GLU A 101 -54.585 -10.850 -11.685 1.00 0.00 C ATOM 1603 OE1 GLU A 101 -54.110 -11.808 -11.098 1.00 0.00 O ATOM 1604 OE2 GLU A 101 -55.275 -10.939 -12.688 1.00 0.00 O ATOM 0 H GLU A 101 -52.450 -7.618 -10.658 1.00 0.00 H new ATOM 0 HA GLU A 101 -54.750 -7.875 -8.954 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -52.664 -9.939 -9.803 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -54.246 -10.302 -9.143 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -55.221 -8.872 -11.088 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -53.618 -8.920 -11.793 1.00 0.00 H new ATOM 1611 N LEU A 102 -51.777 -8.331 -7.598 1.00 0.00 N ATOM 1612 CA LEU A 102 -51.095 -8.430 -6.278 1.00 0.00 C ATOM 1613 C LEU A 102 -51.471 -7.216 -5.429 1.00 0.00 C ATOM 1614 O LEU A 102 -51.552 -7.292 -4.220 1.00 0.00 O ATOM 1615 CB LEU A 102 -49.579 -8.460 -6.487 1.00 0.00 C ATOM 1616 CG LEU A 102 -48.899 -8.994 -5.225 1.00 0.00 C ATOM 1617 CD1 LEU A 102 -49.522 -10.338 -4.840 1.00 0.00 C ATOM 1618 CD2 LEU A 102 -47.405 -9.185 -5.493 1.00 0.00 C ATOM 0 H LEU A 102 -51.156 -8.276 -8.405 1.00 0.00 H new ATOM 0 HA LEU A 102 -51.406 -9.343 -5.770 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -49.332 -9.091 -7.341 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -49.213 -7.459 -6.714 1.00 0.00 H new ATOM 0 HG LEU A 102 -49.035 -8.283 -4.410 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -49.038 -10.719 -3.941 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -50.587 -10.204 -4.650 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -49.385 -11.049 -5.655 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -46.920 -9.565 -4.594 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -47.270 -9.897 -6.307 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -46.960 -8.229 -5.769 1.00 0.00 H new ATOM 1630 N MET A 103 -51.708 -6.094 -6.055 1.00 0.00 N ATOM 1631 CA MET A 103 -52.085 -4.877 -5.284 1.00 0.00 C ATOM 1632 C MET A 103 -53.503 -5.049 -4.735 1.00 0.00 C ATOM 1633 O MET A 103 -53.828 -4.567 -3.668 1.00 0.00 O ATOM 1634 CB MET A 103 -52.039 -3.655 -6.204 1.00 0.00 C ATOM 1635 CG MET A 103 -50.629 -3.060 -6.194 1.00 0.00 C ATOM 1636 SD MET A 103 -50.666 -1.406 -6.927 1.00 0.00 S ATOM 1637 CE MET A 103 -51.405 -1.875 -8.511 1.00 0.00 C ATOM 0 H MET A 103 -51.657 -5.969 -7.066 1.00 0.00 H new ATOM 0 HA MET A 103 -51.387 -4.735 -4.459 1.00 0.00 H new ATOM 0 HB2 MET A 103 -52.318 -3.940 -7.219 1.00 0.00 H new ATOM 0 HB3 MET A 103 -52.762 -2.910 -5.872 1.00 0.00 H new ATOM 0 HG2 MET A 103 -50.252 -3.008 -5.173 1.00 0.00 H new ATOM 0 HG3 MET A 103 -49.948 -3.702 -6.753 1.00 0.00 H new ATOM 0 HE1 MET A 103 -51.296 -1.055 -9.221 1.00 0.00 H new ATOM 0 HE2 MET A 103 -50.902 -2.760 -8.899 1.00 0.00 H new ATOM 0 HE3 MET A 103 -52.464 -2.093 -8.368 1.00 0.00 H new ATOM 1647 N SER A 104 -54.347 -5.731 -5.458 1.00 0.00 N ATOM 1648 CA SER A 104 -55.743 -5.937 -4.980 1.00 0.00 C ATOM 1649 C SER A 104 -55.776 -7.087 -3.972 1.00 0.00 C ATOM 1650 O SER A 104 -56.599 -7.118 -3.079 1.00 0.00 O ATOM 1651 CB SER A 104 -56.644 -6.276 -6.169 1.00 0.00 C ATOM 1652 OG SER A 104 -56.476 -5.299 -7.186 1.00 0.00 O ATOM 0 H SER A 104 -54.130 -6.155 -6.360 1.00 0.00 H new ATOM 0 HA SER A 104 -56.099 -5.025 -4.501 1.00 0.00 H new ATOM 0 HB2 SER A 104 -56.397 -7.265 -6.556 1.00 0.00 H new ATOM 0 HB3 SER A 104 -57.686 -6.310 -5.851 1.00 0.00 H new ATOM 0 HG SER A 104 -55.624 -5.450 -7.647 1.00 0.00 H new ATOM 1658 N LEU A 105 -54.888 -8.035 -4.108 1.00 0.00 N ATOM 1659 CA LEU A 105 -54.871 -9.181 -3.157 1.00 0.00 C ATOM 1660 C LEU A 105 -55.053 -8.669 -1.727 1.00 0.00 C ATOM 1661 O LEU A 105 -55.897 -9.146 -0.996 1.00 0.00 O ATOM 1662 CB LEU A 105 -53.535 -9.922 -3.265 1.00 0.00 C ATOM 1663 CG LEU A 105 -53.785 -11.416 -3.498 1.00 0.00 C ATOM 1664 CD1 LEU A 105 -54.943 -11.893 -2.618 1.00 0.00 C ATOM 1665 CD2 LEU A 105 -54.131 -11.653 -4.967 1.00 0.00 C ATOM 0 H LEU A 105 -54.175 -8.064 -4.836 1.00 0.00 H new ATOM 0 HA LEU A 105 -55.685 -9.862 -3.405 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -52.946 -9.511 -4.085 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -52.955 -9.779 -2.353 1.00 0.00 H new ATOM 0 HG LEU A 105 -52.885 -11.974 -3.240 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -55.116 -12.956 -2.788 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -54.695 -11.729 -1.569 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -55.845 -11.334 -2.869 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -54.309 -12.716 -5.132 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -55.029 -11.091 -5.225 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -53.303 -11.322 -5.594 1.00 0.00 H new ATOM 1677 N PRO A 106 -54.248 -7.674 -1.322 1.00 0.00 N ATOM 1678 CA PRO A 106 -54.331 -7.097 0.024 1.00 0.00 C ATOM 1679 C PRO A 106 -55.641 -6.331 0.219 1.00 0.00 C ATOM 1680 O PRO A 106 -55.933 -5.838 1.290 1.00 0.00 O ATOM 1681 CB PRO A 106 -53.138 -6.141 0.080 1.00 0.00 C ATOM 1682 CG PRO A 106 -52.869 -5.798 -1.345 1.00 0.00 C ATOM 1683 CD PRO A 106 -53.202 -7.031 -2.138 1.00 0.00 C ATOM 0 HA PRO A 106 -54.310 -7.856 0.806 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -53.369 -5.251 0.666 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -52.272 -6.613 0.545 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -53.478 -4.952 -1.664 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -51.827 -5.512 -1.487 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -53.563 -6.784 -3.136 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -52.333 -7.677 -2.264 1.00 0.00 H new ATOM 1691 N GLN A 107 -56.434 -6.239 -0.813 1.00 0.00 N ATOM 1692 CA GLN A 107 -57.731 -5.518 -0.698 1.00 0.00 C ATOM 1693 C GLN A 107 -58.863 -6.540 -0.602 1.00 0.00 C ATOM 1694 O GLN A 107 -59.757 -6.416 0.210 1.00 0.00 O ATOM 1695 CB GLN A 107 -57.939 -4.636 -1.930 1.00 0.00 C ATOM 1696 CG GLN A 107 -56.873 -3.539 -1.957 1.00 0.00 C ATOM 1697 CD GLN A 107 -56.981 -2.755 -3.266 1.00 0.00 C ATOM 1698 OE1 GLN A 107 -57.570 -3.221 -4.221 1.00 0.00 O ATOM 1699 NE2 GLN A 107 -56.434 -1.573 -3.351 1.00 0.00 N ATOM 0 H GLN A 107 -56.238 -6.634 -1.733 1.00 0.00 H new ATOM 0 HA GLN A 107 -57.725 -4.891 0.194 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -57.879 -5.239 -2.836 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -58.934 -4.191 -1.908 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -57.004 -2.869 -1.107 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -55.880 -3.980 -1.865 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -55.939 -1.181 -2.550 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -56.501 -1.041 -4.219 1.00 0.00 H new ATOM 1708 N GLN A 108 -58.834 -7.547 -1.430 1.00 0.00 N ATOM 1709 CA GLN A 108 -59.910 -8.576 -1.390 1.00 0.00 C ATOM 1710 C GLN A 108 -60.184 -8.981 0.060 1.00 0.00 C ATOM 1711 O GLN A 108 -61.262 -9.432 0.395 1.00 0.00 O ATOM 1712 CB GLN A 108 -59.468 -9.806 -2.186 1.00 0.00 C ATOM 1713 CG GLN A 108 -59.393 -9.454 -3.673 1.00 0.00 C ATOM 1714 CD GLN A 108 -58.970 -10.691 -4.469 1.00 0.00 C ATOM 1715 OE1 GLN A 108 -58.556 -11.681 -3.899 1.00 0.00 O ATOM 1716 NE2 GLN A 108 -59.058 -10.675 -5.771 1.00 0.00 N ATOM 0 H GLN A 108 -58.111 -7.702 -2.133 1.00 0.00 H new ATOM 0 HA GLN A 108 -60.819 -8.164 -1.828 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -58.495 -10.150 -1.834 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -60.171 -10.624 -2.030 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -60.362 -9.097 -4.023 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -58.679 -8.645 -3.831 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -59.406 -9.843 -6.248 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -58.779 -11.494 -6.311 1.00 0.00 H new ATOM 1725 N CYS A 109 -59.218 -8.828 0.925 1.00 0.00 N ATOM 1726 CA CYS A 109 -59.430 -9.209 2.351 1.00 0.00 C ATOM 1727 C CYS A 109 -59.809 -7.969 3.163 1.00 0.00 C ATOM 1728 O CYS A 109 -60.228 -8.065 4.300 1.00 0.00 O ATOM 1729 CB CYS A 109 -58.142 -9.814 2.913 1.00 0.00 C ATOM 1730 SG CYS A 109 -57.741 -11.328 2.006 1.00 0.00 S ATOM 0 H CYS A 109 -58.293 -8.457 0.707 1.00 0.00 H new ATOM 0 HA CYS A 109 -60.234 -9.942 2.415 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -57.324 -9.099 2.828 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -58.263 -10.034 3.974 1.00 0.00 H new ATOM 1735 N ASN A 110 -59.667 -6.806 2.590 1.00 0.00 N ATOM 1736 CA ASN A 110 -60.021 -5.561 3.329 1.00 0.00 C ATOM 1737 C ASN A 110 -59.058 -5.370 4.501 1.00 0.00 C ATOM 1738 O ASN A 110 -59.459 -5.029 5.596 1.00 0.00 O ATOM 1739 CB ASN A 110 -61.452 -5.674 3.858 1.00 0.00 C ATOM 1740 CG ASN A 110 -62.389 -6.070 2.715 1.00 0.00 C ATOM 1741 OD1 ASN A 110 -63.180 -6.981 2.850 1.00 0.00 O ATOM 1742 ND2 ASN A 110 -62.333 -5.416 1.586 1.00 0.00 N ATOM 0 H ASN A 110 -59.321 -6.664 1.641 1.00 0.00 H new ATOM 0 HA ASN A 110 -59.947 -4.706 2.657 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -61.499 -6.416 4.655 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -61.768 -4.724 4.289 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -62.954 -5.671 0.818 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -61.668 -4.651 1.472 1.00 0.00 H new