USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=9 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 75 CYS SG : rot 180:sc= -0.591 USER MOD Set 1.2: A 79 GLN : amide:sc= -0.58 X(o=-1.2,f=-1.6!) USER MOD Set 2.1: A 70 THR OG1 : rot 57:sc= 1.12 USER MOD Set 2.2: A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 31 HIS : no HE2:sc= 0.0757 K(o=-0.41,f=-1.9) USER MOD Set 3.2: A 57 GLN : amide:sc= -0.484 K(o=-0.41,f=-3.6!) USER MOD Set 4.1: A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 94 MET CE :methyl -159:sc= -10.8! (180deg=-13.7!) USER MOD Single : A 15 SER OG : rot 39:sc= 0.158 USER MOD Single : A 19 GLN : amide:sc= -0.139 X(o=-0.14,f=-0.39) USER MOD Single : A 24 ASN : amide:sc= -0.0206 K(o=-0.021,f=-1.6!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -0.605 X(o=-0.61,f=-0.6) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 71 GLN : amide:sc= -0.0571 K(o=-0.057,f=-2!) USER MOD Single : A 80 GLN : amide:sc= -13.4! C(o=-13!,f=-17!) USER MOD Single : A 82 MET CE :methyl 146:sc= -0.385 (180deg=-1.86!) USER MOD Single : A 84 ASN : amide:sc= -1.07 K(o=-1.1,f=-2.7!) USER MOD Single : A 85 GLN : amide:sc= -0.346 X(o=-0.35,f=-0.35) USER MOD Single : A 86 CYS SG : rot 180:sc= -3.03! USER MOD Single : A 90 GLN : amide:sc= -0.0198 K(o=-0.02,f=-2!) USER MOD Single : A 93 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.075) USER MOD Single : A 97 GLN : amide:sc= -2.17! C(o=-2.2!,f=-7.7!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 MET CE :methyl -172:sc= -1.59 (180deg=-1.89) USER MOD Single : A 104 SER OG : rot -66:sc= 0.659 USER MOD Single : A 107 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 108 GLN : amide:sc= -0.422 X(o=-0.42,f=0) USER MOD Single : A 110 ASN : amide:sc= -6.8! C(o=-6.8!,f=-4.8!) USER MOD ----------------------------------------------------------------- ATOM 217 N SER A 15 -42.676 -10.589 15.612 1.00 0.00 N ATOM 218 CA SER A 15 -43.464 -11.840 15.432 1.00 0.00 C ATOM 219 C SER A 15 -43.712 -12.076 13.941 1.00 0.00 C ATOM 220 O SER A 15 -43.990 -13.179 13.515 1.00 0.00 O ATOM 221 CB SER A 15 -44.806 -11.706 16.156 1.00 0.00 C ATOM 222 OG SER A 15 -44.577 -11.390 17.521 1.00 0.00 O ATOM 0 HA SER A 15 -42.909 -12.682 15.847 1.00 0.00 H new ATOM 0 HB2 SER A 15 -45.408 -10.928 15.687 1.00 0.00 H new ATOM 0 HB3 SER A 15 -45.369 -12.636 16.076 1.00 0.00 H new ATOM 0 HG SER A 15 -43.829 -10.761 17.590 1.00 0.00 H new ATOM 228 N CYS A 16 -43.612 -11.048 13.144 1.00 0.00 N ATOM 229 CA CYS A 16 -43.841 -11.214 11.681 1.00 0.00 C ATOM 230 C CYS A 16 -43.022 -12.399 11.167 1.00 0.00 C ATOM 231 O CYS A 16 -43.378 -13.038 10.197 1.00 0.00 O ATOM 232 CB CYS A 16 -43.410 -9.940 10.951 1.00 0.00 C ATOM 233 SG CYS A 16 -44.353 -8.533 11.588 1.00 0.00 S ATOM 0 H CYS A 16 -43.382 -10.100 13.443 1.00 0.00 H new ATOM 0 HA CYS A 16 -44.899 -11.398 11.497 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -42.343 -9.770 11.092 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -43.576 -10.048 9.879 1.00 0.00 H new ATOM 238 N GLU A 17 -41.928 -12.699 11.810 1.00 0.00 N ATOM 239 CA GLU A 17 -41.088 -13.844 11.357 1.00 0.00 C ATOM 240 C GLU A 17 -41.824 -15.156 11.632 1.00 0.00 C ATOM 241 O GLU A 17 -41.601 -16.154 10.976 1.00 0.00 O ATOM 242 CB GLU A 17 -39.761 -13.836 12.119 1.00 0.00 C ATOM 243 CG GLU A 17 -38.841 -14.919 11.551 1.00 0.00 C ATOM 244 CD GLU A 17 -37.594 -15.043 12.429 1.00 0.00 C ATOM 245 OE1 GLU A 17 -37.525 -14.345 13.427 1.00 0.00 O ATOM 246 OE2 GLU A 17 -36.730 -15.834 12.088 1.00 0.00 O ATOM 0 H GLU A 17 -41.579 -12.201 12.629 1.00 0.00 H new ATOM 0 HA GLU A 17 -40.895 -13.752 10.288 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -39.286 -12.859 12.034 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -39.937 -14.013 13.180 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -39.367 -15.873 11.511 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -38.556 -14.669 10.529 1.00 0.00 H new ATOM 253 N ARG A 18 -42.701 -15.163 12.599 1.00 0.00 N ATOM 254 CA ARG A 18 -43.452 -16.411 12.916 1.00 0.00 C ATOM 255 C ARG A 18 -44.379 -16.759 11.751 1.00 0.00 C ATOM 256 O ARG A 18 -44.524 -17.908 11.384 1.00 0.00 O ATOM 257 CB ARG A 18 -44.281 -16.200 14.184 1.00 0.00 C ATOM 258 CG ARG A 18 -43.349 -16.112 15.393 1.00 0.00 C ATOM 259 CD ARG A 18 -44.179 -16.134 16.679 1.00 0.00 C ATOM 260 NE ARG A 18 -43.310 -15.780 17.836 1.00 0.00 N ATOM 261 CZ ARG A 18 -43.662 -14.817 18.644 1.00 0.00 C ATOM 262 NH1 ARG A 18 -44.924 -14.609 18.902 1.00 0.00 N ATOM 263 NH2 ARG A 18 -42.750 -14.063 19.195 1.00 0.00 N ATOM 0 H ARG A 18 -42.930 -14.359 13.183 1.00 0.00 H new ATOM 0 HA ARG A 18 -42.748 -17.228 13.075 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -44.870 -15.287 14.098 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -44.984 -17.023 14.313 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -42.647 -16.946 15.386 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -42.758 -15.197 15.344 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -45.007 -15.429 16.603 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -44.615 -17.122 16.827 1.00 0.00 H new ATOM 0 HE ARG A 18 -42.441 -16.289 17.997 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -45.636 -15.199 18.472 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -45.198 -13.856 19.533 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -41.763 -14.227 18.994 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -43.024 -13.310 19.826 1.00 0.00 H new ATOM 277 N GLN A 19 -45.004 -15.778 11.162 1.00 0.00 N ATOM 278 CA GLN A 19 -45.915 -16.060 10.019 1.00 0.00 C ATOM 279 C GLN A 19 -45.108 -16.682 8.880 1.00 0.00 C ATOM 280 O GLN A 19 -45.597 -17.508 8.135 1.00 0.00 O ATOM 281 CB GLN A 19 -46.554 -14.754 9.539 1.00 0.00 C ATOM 282 CG GLN A 19 -47.337 -14.118 10.689 1.00 0.00 C ATOM 283 CD GLN A 19 -48.541 -14.996 11.035 1.00 0.00 C ATOM 284 OE1 GLN A 19 -49.291 -15.391 10.163 1.00 0.00 O ATOM 285 NE2 GLN A 19 -48.761 -15.321 12.280 1.00 0.00 N ATOM 0 H GLN A 19 -44.923 -14.795 11.422 1.00 0.00 H new ATOM 0 HA GLN A 19 -46.699 -16.749 10.334 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -45.784 -14.068 9.186 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -47.218 -14.949 8.697 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -46.694 -14.004 11.562 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -47.671 -13.119 10.407 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -48.133 -14.990 13.012 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -49.561 -15.906 12.521 1.00 0.00 H new ATOM 294 N VAL A 20 -43.873 -16.289 8.739 1.00 0.00 N ATOM 295 CA VAL A 20 -43.026 -16.851 7.650 1.00 0.00 C ATOM 296 C VAL A 20 -43.007 -18.378 7.752 1.00 0.00 C ATOM 297 O VAL A 20 -43.034 -19.074 6.756 1.00 0.00 O ATOM 298 CB VAL A 20 -41.600 -16.315 7.785 1.00 0.00 C ATOM 299 CG1 VAL A 20 -40.712 -16.958 6.718 1.00 0.00 C ATOM 300 CG2 VAL A 20 -41.607 -14.796 7.597 1.00 0.00 C ATOM 0 H VAL A 20 -43.412 -15.600 9.333 1.00 0.00 H new ATOM 0 HA VAL A 20 -43.436 -16.557 6.684 1.00 0.00 H new ATOM 0 HB VAL A 20 -41.212 -16.556 8.774 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -39.695 -16.577 6.813 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -40.708 -18.040 6.852 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -41.099 -16.716 5.728 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -40.591 -14.413 7.693 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -41.994 -14.554 6.607 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -42.241 -14.338 8.357 1.00 0.00 H new ATOM 310 N ASP A 21 -42.960 -18.907 8.944 1.00 0.00 N ATOM 311 CA ASP A 21 -42.939 -20.388 9.098 1.00 0.00 C ATOM 312 C ASP A 21 -44.352 -20.942 8.902 1.00 0.00 C ATOM 313 O ASP A 21 -44.574 -22.135 8.956 1.00 0.00 O ATOM 314 CB ASP A 21 -42.440 -20.748 10.499 1.00 0.00 C ATOM 315 CG ASP A 21 -40.989 -20.289 10.656 1.00 0.00 C ATOM 316 OD1 ASP A 21 -40.379 -19.962 9.651 1.00 0.00 O ATOM 317 OD2 ASP A 21 -40.512 -20.270 11.780 1.00 0.00 O ATOM 0 H ASP A 21 -42.935 -18.378 9.816 1.00 0.00 H new ATOM 0 HA ASP A 21 -42.272 -20.821 8.352 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -43.067 -20.273 11.253 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -42.512 -21.824 10.657 1.00 0.00 H new ATOM 322 N ARG A 22 -45.308 -20.085 8.674 1.00 0.00 N ATOM 323 CA ARG A 22 -46.705 -20.562 8.475 1.00 0.00 C ATOM 324 C ARG A 22 -47.257 -19.991 7.166 1.00 0.00 C ATOM 325 O ARG A 22 -48.384 -20.248 6.793 1.00 0.00 O ATOM 326 CB ARG A 22 -47.574 -20.098 9.645 1.00 0.00 C ATOM 327 CG ARG A 22 -47.217 -20.903 10.896 1.00 0.00 C ATOM 328 CD ARG A 22 -48.290 -20.688 11.965 1.00 0.00 C ATOM 329 NE ARG A 22 -49.460 -21.565 11.677 1.00 0.00 N ATOM 330 CZ ARG A 22 -50.564 -21.425 12.359 1.00 0.00 C ATOM 331 NH1 ARG A 22 -50.530 -20.914 13.559 1.00 0.00 N ATOM 332 NH2 ARG A 22 -51.703 -21.797 11.840 1.00 0.00 N ATOM 0 H ARG A 22 -45.182 -19.074 8.617 1.00 0.00 H new ATOM 0 HA ARG A 22 -46.715 -21.651 8.427 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -47.419 -19.035 9.827 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -48.629 -20.230 9.403 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -47.141 -21.962 10.650 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -46.243 -20.593 11.275 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -47.886 -20.915 12.952 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -48.600 -19.643 11.980 1.00 0.00 H new ATOM 0 HE ARG A 22 -49.398 -22.275 10.947 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -49.640 -20.624 13.965 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -51.393 -20.805 14.091 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -51.730 -22.197 10.902 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -52.566 -21.688 12.373 1.00 0.00 H new ATOM 346 N VAL A 23 -46.470 -19.218 6.467 1.00 0.00 N ATOM 347 CA VAL A 23 -46.949 -18.632 5.185 1.00 0.00 C ATOM 348 C VAL A 23 -47.643 -19.717 4.358 1.00 0.00 C ATOM 349 O VAL A 23 -48.846 -19.875 4.407 1.00 0.00 O ATOM 350 CB VAL A 23 -45.758 -18.074 4.403 1.00 0.00 C ATOM 351 CG1 VAL A 23 -46.191 -17.754 2.970 1.00 0.00 C ATOM 352 CG2 VAL A 23 -45.257 -16.797 5.080 1.00 0.00 C ATOM 0 H VAL A 23 -45.517 -18.968 6.729 1.00 0.00 H new ATOM 0 HA VAL A 23 -47.654 -17.827 5.392 1.00 0.00 H new ATOM 0 HB VAL A 23 -44.958 -18.814 4.384 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -45.342 -17.357 2.414 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -46.548 -18.663 2.486 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -46.991 -17.014 2.988 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -44.409 -16.399 4.523 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -46.057 -16.057 5.099 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -44.948 -17.023 6.100 1.00 0.00 H new ATOM 362 N ASN A 24 -46.892 -20.465 3.597 1.00 0.00 N ATOM 363 CA ASN A 24 -47.508 -21.539 2.768 1.00 0.00 C ATOM 364 C ASN A 24 -48.744 -20.984 2.056 1.00 0.00 C ATOM 365 O ASN A 24 -49.851 -21.436 2.272 1.00 0.00 O ATOM 366 CB ASN A 24 -47.920 -22.705 3.667 1.00 0.00 C ATOM 367 CG ASN A 24 -46.682 -23.280 4.358 1.00 0.00 C ATOM 368 OD1 ASN A 24 -45.566 -22.970 3.989 1.00 0.00 O ATOM 369 ND2 ASN A 24 -46.832 -24.110 5.354 1.00 0.00 N ATOM 0 H ASN A 24 -45.879 -20.379 3.514 1.00 0.00 H new ATOM 0 HA ASN A 24 -46.786 -21.888 2.029 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -48.641 -22.367 4.411 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -48.411 -23.478 3.076 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -46.013 -24.498 5.822 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -47.768 -24.371 5.664 1.00 0.00 H new ATOM 376 N LEU A 25 -48.564 -20.004 1.214 1.00 0.00 N ATOM 377 CA LEU A 25 -49.730 -19.421 0.493 1.00 0.00 C ATOM 378 C LEU A 25 -49.629 -19.746 -0.998 1.00 0.00 C ATOM 379 O LEU A 25 -49.712 -18.874 -1.840 1.00 0.00 O ATOM 380 CB LEU A 25 -49.737 -17.903 0.685 1.00 0.00 C ATOM 381 CG LEU A 25 -49.737 -17.582 2.181 1.00 0.00 C ATOM 382 CD1 LEU A 25 -49.911 -16.075 2.380 1.00 0.00 C ATOM 383 CD2 LEU A 25 -50.891 -18.322 2.859 1.00 0.00 C ATOM 0 H LEU A 25 -47.662 -19.582 0.994 1.00 0.00 H new ATOM 0 HA LEU A 25 -50.652 -19.845 0.892 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -48.863 -17.460 0.207 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -50.616 -17.469 0.208 1.00 0.00 H new ATOM 0 HG LEU A 25 -48.792 -17.899 2.621 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -49.911 -15.846 3.446 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -49.090 -15.547 1.896 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -50.856 -15.757 1.941 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -50.893 -18.095 3.925 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -51.836 -18.004 2.419 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -50.768 -19.396 2.717 1.00 0.00 H new ATOM 395 N LYS A 26 -49.452 -20.996 -1.334 1.00 0.00 N ATOM 396 CA LYS A 26 -49.347 -21.377 -2.769 1.00 0.00 C ATOM 397 C LYS A 26 -50.676 -21.111 -3.487 1.00 0.00 C ATOM 398 O LYS A 26 -50.691 -20.676 -4.621 1.00 0.00 O ATOM 399 CB LYS A 26 -49.004 -22.864 -2.874 1.00 0.00 C ATOM 400 CG LYS A 26 -48.725 -23.220 -4.336 1.00 0.00 C ATOM 401 CD LYS A 26 -47.261 -23.634 -4.491 1.00 0.00 C ATOM 402 CE LYS A 26 -46.462 -22.472 -5.084 1.00 0.00 C ATOM 403 NZ LYS A 26 -46.473 -22.569 -6.572 1.00 0.00 N ATOM 0 H LYS A 26 -49.376 -21.770 -0.674 1.00 0.00 H new ATOM 0 HA LYS A 26 -48.564 -20.781 -3.238 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -48.132 -23.092 -2.260 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -49.828 -23.466 -2.493 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -49.379 -24.032 -4.655 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -48.942 -22.366 -4.977 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -46.848 -23.917 -3.523 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -47.186 -24.508 -5.138 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -46.892 -21.522 -4.768 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -45.437 -22.496 -4.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -45.930 -21.779 -6.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -46.043 -23.470 -6.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -47.454 -22.526 -6.915 1.00 0.00 H new ATOM 417 N PRO A 27 -51.817 -21.380 -2.823 1.00 0.00 N ATOM 418 CA PRO A 27 -53.140 -21.165 -3.423 1.00 0.00 C ATOM 419 C PRO A 27 -53.413 -19.681 -3.675 1.00 0.00 C ATOM 420 O PRO A 27 -53.985 -19.308 -4.680 1.00 0.00 O ATOM 421 CB PRO A 27 -54.106 -21.723 -2.377 1.00 0.00 C ATOM 422 CG PRO A 27 -53.354 -21.638 -1.095 1.00 0.00 C ATOM 423 CD PRO A 27 -51.918 -21.903 -1.446 1.00 0.00 C ATOM 0 HA PRO A 27 -53.235 -21.646 -4.396 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -55.027 -21.141 -2.337 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -54.388 -22.751 -2.605 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -53.470 -20.655 -0.638 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -53.722 -22.370 -0.376 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -51.235 -21.392 -0.768 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -51.679 -22.965 -1.398 1.00 0.00 H new ATOM 431 N CYS A 28 -52.995 -18.827 -2.781 1.00 0.00 N ATOM 432 CA CYS A 28 -53.220 -17.372 -2.990 1.00 0.00 C ATOM 433 C CYS A 28 -52.453 -16.938 -4.241 1.00 0.00 C ATOM 434 O CYS A 28 -53.006 -16.357 -5.158 1.00 0.00 O ATOM 435 CB CYS A 28 -52.707 -16.594 -1.775 1.00 0.00 C ATOM 436 SG CYS A 28 -54.109 -16.075 -0.754 1.00 0.00 S ATOM 0 H CYS A 28 -52.509 -19.074 -1.919 1.00 0.00 H new ATOM 0 HA CYS A 28 -54.284 -17.171 -3.116 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -52.029 -17.216 -1.191 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -52.139 -15.723 -2.101 1.00 0.00 H new ATOM 441 N GLU A 29 -51.183 -17.234 -4.292 1.00 0.00 N ATOM 442 CA GLU A 29 -50.383 -16.857 -5.488 1.00 0.00 C ATOM 443 C GLU A 29 -51.048 -17.451 -6.730 1.00 0.00 C ATOM 444 O GLU A 29 -51.068 -16.850 -7.785 1.00 0.00 O ATOM 445 CB GLU A 29 -48.966 -17.417 -5.352 1.00 0.00 C ATOM 446 CG GLU A 29 -47.997 -16.558 -6.169 1.00 0.00 C ATOM 447 CD GLU A 29 -46.582 -17.123 -6.039 1.00 0.00 C ATOM 448 OE1 GLU A 29 -46.370 -17.944 -5.162 1.00 0.00 O ATOM 449 OE2 GLU A 29 -45.733 -16.727 -6.821 1.00 0.00 O ATOM 0 H GLU A 29 -50.667 -17.720 -3.558 1.00 0.00 H new ATOM 0 HA GLU A 29 -50.333 -15.772 -5.575 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -48.666 -17.426 -4.304 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -48.936 -18.449 -5.701 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -48.300 -16.545 -7.216 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -48.022 -15.527 -5.817 1.00 0.00 H new ATOM 456 N GLN A 30 -51.594 -18.630 -6.608 1.00 0.00 N ATOM 457 CA GLN A 30 -52.260 -19.269 -7.775 1.00 0.00 C ATOM 458 C GLN A 30 -53.497 -18.458 -8.163 1.00 0.00 C ATOM 459 O GLN A 30 -53.928 -18.477 -9.300 1.00 0.00 O ATOM 460 CB GLN A 30 -52.679 -20.694 -7.408 1.00 0.00 C ATOM 461 CG GLN A 30 -51.451 -21.607 -7.415 1.00 0.00 C ATOM 462 CD GLN A 30 -50.712 -21.458 -8.747 1.00 0.00 C ATOM 463 OE1 GLN A 30 -51.300 -21.603 -9.801 1.00 0.00 O ATOM 464 NE2 GLN A 30 -49.439 -21.173 -8.743 1.00 0.00 N ATOM 0 H GLN A 30 -51.607 -19.178 -5.748 1.00 0.00 H new ATOM 0 HA GLN A 30 -51.567 -19.300 -8.616 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -53.147 -20.704 -6.424 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -53.421 -21.060 -8.118 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -50.789 -21.350 -6.589 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -51.755 -22.644 -7.269 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -48.946 -21.051 -7.858 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -48.936 -21.072 -9.625 1.00 0.00 H new ATOM 473 N HIS A 31 -54.074 -17.742 -7.235 1.00 0.00 N ATOM 474 CA HIS A 31 -55.278 -16.934 -7.564 1.00 0.00 C ATOM 475 C HIS A 31 -54.830 -15.676 -8.304 1.00 0.00 C ATOM 476 O HIS A 31 -55.569 -15.092 -9.071 1.00 0.00 O ATOM 477 CB HIS A 31 -56.002 -16.551 -6.266 1.00 0.00 C ATOM 478 CG HIS A 31 -56.612 -15.181 -6.399 1.00 0.00 C ATOM 479 ND1 HIS A 31 -57.831 -14.971 -7.022 1.00 0.00 N ATOM 480 CD2 HIS A 31 -56.180 -13.942 -5.992 1.00 0.00 C ATOM 481 CE1 HIS A 31 -58.090 -13.652 -6.974 1.00 0.00 C ATOM 482 NE2 HIS A 31 -57.116 -12.978 -6.357 1.00 0.00 N ATOM 0 H HIS A 31 -53.762 -17.683 -6.266 1.00 0.00 H new ATOM 0 HA HIS A 31 -55.960 -17.506 -8.193 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -56.778 -17.283 -6.044 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -55.301 -16.566 -5.431 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -58.425 -15.687 -7.441 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -55.256 -13.746 -5.469 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -58.978 -13.194 -7.384 1.00 0.00 H new ATOM 490 N ILE A 32 -53.616 -15.260 -8.077 1.00 0.00 N ATOM 491 CA ILE A 32 -53.107 -14.043 -8.769 1.00 0.00 C ATOM 492 C ILE A 32 -52.381 -14.459 -10.047 1.00 0.00 C ATOM 493 O ILE A 32 -52.613 -13.916 -11.109 1.00 0.00 O ATOM 494 CB ILE A 32 -52.141 -13.282 -7.855 1.00 0.00 C ATOM 495 CG1 ILE A 32 -51.809 -14.129 -6.623 1.00 0.00 C ATOM 496 CG2 ILE A 32 -52.797 -11.978 -7.410 1.00 0.00 C ATOM 497 CD1 ILE A 32 -51.045 -13.280 -5.602 1.00 0.00 C ATOM 0 H ILE A 32 -52.955 -15.709 -7.443 1.00 0.00 H new ATOM 0 HA ILE A 32 -53.946 -13.392 -9.015 1.00 0.00 H new ATOM 0 HB ILE A 32 -51.221 -13.069 -8.400 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -52.726 -14.514 -6.177 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -51.210 -14.992 -6.914 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -52.115 -11.431 -6.759 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -53.029 -11.370 -8.285 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -53.716 -12.200 -6.868 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -50.811 -13.886 -4.727 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -50.120 -12.917 -6.050 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -51.660 -12.432 -5.301 1.00 0.00 H new ATOM 509 N MET A 33 -51.507 -15.422 -9.956 1.00 0.00 N ATOM 510 CA MET A 33 -50.773 -15.874 -11.170 1.00 0.00 C ATOM 511 C MET A 33 -51.780 -16.411 -12.190 1.00 0.00 C ATOM 512 O MET A 33 -51.696 -16.129 -13.369 1.00 0.00 O ATOM 513 CB MET A 33 -49.790 -16.983 -10.790 1.00 0.00 C ATOM 514 CG MET A 33 -48.628 -16.383 -9.993 1.00 0.00 C ATOM 515 SD MET A 33 -47.293 -17.599 -9.866 1.00 0.00 S ATOM 516 CE MET A 33 -46.235 -16.910 -11.162 1.00 0.00 C ATOM 0 H MET A 33 -51.270 -15.915 -9.095 1.00 0.00 H new ATOM 0 HA MET A 33 -50.222 -15.038 -11.600 1.00 0.00 H new ATOM 0 HB2 MET A 33 -50.296 -17.745 -10.198 1.00 0.00 H new ATOM 0 HB3 MET A 33 -49.414 -17.474 -11.688 1.00 0.00 H new ATOM 0 HG2 MET A 33 -48.266 -15.479 -10.482 1.00 0.00 H new ATOM 0 HG3 MET A 33 -48.966 -16.093 -8.998 1.00 0.00 H new ATOM 0 HE1 MET A 33 -45.334 -17.516 -11.257 1.00 0.00 H new ATOM 0 HE2 MET A 33 -46.774 -16.909 -12.110 1.00 0.00 H new ATOM 0 HE3 MET A 33 -45.959 -15.888 -10.901 1.00 0.00 H new ATOM 526 N GLN A 34 -52.728 -17.188 -11.743 1.00 0.00 N ATOM 527 CA GLN A 34 -53.739 -17.750 -12.682 1.00 0.00 C ATOM 528 C GLN A 34 -54.629 -16.627 -13.222 1.00 0.00 C ATOM 529 O GLN A 34 -54.895 -16.551 -14.405 1.00 0.00 O ATOM 530 CB GLN A 34 -54.603 -18.774 -11.943 1.00 0.00 C ATOM 531 CG GLN A 34 -55.542 -19.462 -12.937 1.00 0.00 C ATOM 532 CD GLN A 34 -56.402 -20.488 -12.198 1.00 0.00 C ATOM 533 OE1 GLN A 34 -55.906 -21.237 -11.379 1.00 0.00 O ATOM 534 NE2 GLN A 34 -57.679 -20.556 -12.454 1.00 0.00 N ATOM 0 H GLN A 34 -52.846 -17.458 -10.767 1.00 0.00 H new ATOM 0 HA GLN A 34 -53.228 -18.233 -13.515 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -53.970 -19.514 -11.453 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -55.181 -18.281 -11.161 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -56.177 -18.723 -13.425 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -54.964 -19.952 -13.720 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -58.096 -19.928 -13.141 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -58.261 -21.237 -11.967 1.00 0.00 H new ATOM 543 N ARG A 35 -55.099 -15.754 -12.370 1.00 0.00 N ATOM 544 CA ARG A 35 -55.973 -14.647 -12.851 1.00 0.00 C ATOM 545 C ARG A 35 -55.233 -13.838 -13.917 1.00 0.00 C ATOM 546 O ARG A 35 -55.612 -13.821 -15.072 1.00 0.00 O ATOM 547 CB ARG A 35 -56.334 -13.733 -11.678 1.00 0.00 C ATOM 548 CG ARG A 35 -57.406 -12.734 -12.120 1.00 0.00 C ATOM 549 CD ARG A 35 -58.748 -13.456 -12.263 1.00 0.00 C ATOM 550 NE ARG A 35 -59.789 -12.487 -12.710 1.00 0.00 N ATOM 551 CZ ARG A 35 -60.389 -11.725 -11.837 1.00 0.00 C ATOM 552 NH1 ARG A 35 -59.953 -11.668 -10.608 1.00 0.00 N ATOM 553 NH2 ARG A 35 -61.426 -11.016 -12.194 1.00 0.00 N ATOM 0 H ARG A 35 -54.916 -15.760 -11.367 1.00 0.00 H new ATOM 0 HA ARG A 35 -56.884 -15.066 -13.279 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -56.699 -14.327 -10.840 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -55.448 -13.202 -11.331 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -57.490 -11.928 -11.391 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -57.124 -12.277 -13.069 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -58.660 -14.270 -12.983 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -59.036 -13.902 -11.311 1.00 0.00 H new ATOM 0 HE ARG A 35 -60.032 -12.420 -13.698 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -59.142 -12.220 -10.329 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -60.423 -11.072 -9.927 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -61.766 -11.058 -13.155 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -61.896 -10.420 -11.512 1.00 0.00 H new ATOM 567 N ILE A 36 -54.182 -13.166 -13.541 1.00 0.00 N ATOM 568 CA ILE A 36 -53.418 -12.358 -14.532 1.00 0.00 C ATOM 569 C ILE A 36 -53.238 -13.165 -15.820 1.00 0.00 C ATOM 570 O ILE A 36 -53.102 -12.615 -16.894 1.00 0.00 O ATOM 571 CB ILE A 36 -52.047 -12.005 -13.953 1.00 0.00 C ATOM 572 CG1 ILE A 36 -51.300 -13.290 -13.587 1.00 0.00 C ATOM 573 CG2 ILE A 36 -52.231 -11.145 -12.701 1.00 0.00 C ATOM 574 CD1 ILE A 36 -50.142 -12.959 -12.642 1.00 0.00 C ATOM 0 H ILE A 36 -53.818 -13.141 -12.588 1.00 0.00 H new ATOM 0 HA ILE A 36 -53.965 -11.442 -14.753 1.00 0.00 H new ATOM 0 HB ILE A 36 -51.470 -11.451 -14.693 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -51.981 -13.996 -13.111 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -50.921 -13.772 -14.488 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -51.255 -10.892 -12.287 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -52.762 -10.230 -12.963 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -52.807 -11.699 -11.960 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -49.611 -13.875 -12.382 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -49.456 -12.269 -13.134 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -50.533 -12.497 -11.736 1.00 0.00 H new ATOM 586 N MET A 37 -53.236 -14.466 -15.720 1.00 0.00 N ATOM 587 CA MET A 37 -53.064 -15.306 -16.939 1.00 0.00 C ATOM 588 C MET A 37 -54.361 -15.304 -17.750 1.00 0.00 C ATOM 589 O MET A 37 -54.349 -15.426 -18.959 1.00 0.00 O ATOM 590 CB MET A 37 -52.722 -16.740 -16.526 1.00 0.00 C ATOM 591 CG MET A 37 -51.216 -16.853 -16.280 1.00 0.00 C ATOM 592 SD MET A 37 -50.783 -18.586 -15.987 1.00 0.00 S ATOM 593 CE MET A 37 -50.538 -19.054 -17.718 1.00 0.00 C ATOM 0 H MET A 37 -53.346 -14.983 -14.848 1.00 0.00 H new ATOM 0 HA MET A 37 -52.256 -14.900 -17.548 1.00 0.00 H new ATOM 0 HB2 MET A 37 -53.270 -17.011 -15.624 1.00 0.00 H new ATOM 0 HB3 MET A 37 -53.028 -17.437 -17.306 1.00 0.00 H new ATOM 0 HG2 MET A 37 -50.666 -16.470 -17.140 1.00 0.00 H new ATOM 0 HG3 MET A 37 -50.930 -16.245 -15.422 1.00 0.00 H new ATOM 0 HE1 MET A 37 -50.259 -20.106 -17.774 1.00 0.00 H new ATOM 0 HE2 MET A 37 -51.463 -18.894 -18.273 1.00 0.00 H new ATOM 0 HE3 MET A 37 -49.745 -18.444 -18.151 1.00 0.00 H new ATOM 603 N GLY A 38 -55.481 -15.169 -17.094 1.00 0.00 N ATOM 604 CA GLY A 38 -56.779 -15.161 -17.828 1.00 0.00 C ATOM 605 C GLY A 38 -56.890 -13.881 -18.660 1.00 0.00 C ATOM 606 O GLY A 38 -57.540 -13.851 -19.686 1.00 0.00 O ATOM 0 H GLY A 38 -55.554 -15.064 -16.082 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -56.848 -16.035 -18.476 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -57.608 -15.221 -17.123 1.00 0.00 H new ATOM 865 N ASP A 55 -64.139 -18.692 -6.358 1.00 0.00 N ATOM 866 CA ASP A 55 -64.709 -18.437 -5.005 1.00 0.00 C ATOM 867 C ASP A 55 -63.968 -19.287 -3.971 1.00 0.00 C ATOM 868 O ASP A 55 -63.898 -18.946 -2.808 1.00 0.00 O ATOM 869 CB ASP A 55 -66.194 -18.807 -5.000 1.00 0.00 C ATOM 870 CG ASP A 55 -66.972 -17.808 -5.859 1.00 0.00 C ATOM 871 OD1 ASP A 55 -66.384 -16.817 -6.259 1.00 0.00 O ATOM 872 OD2 ASP A 55 -68.143 -18.051 -6.102 1.00 0.00 O ATOM 0 HA ASP A 55 -64.596 -17.382 -4.756 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -66.329 -19.817 -5.386 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -66.578 -18.802 -3.980 1.00 0.00 H new ATOM 877 N GLN A 56 -63.414 -20.393 -4.387 1.00 0.00 N ATOM 878 CA GLN A 56 -62.676 -21.264 -3.428 1.00 0.00 C ATOM 879 C GLN A 56 -61.349 -20.601 -3.056 1.00 0.00 C ATOM 880 O GLN A 56 -60.957 -20.580 -1.906 1.00 0.00 O ATOM 881 CB GLN A 56 -62.406 -22.621 -4.079 1.00 0.00 C ATOM 882 CG GLN A 56 -63.719 -23.396 -4.206 1.00 0.00 C ATOM 883 CD GLN A 56 -63.449 -24.761 -4.841 1.00 0.00 C ATOM 884 OE1 GLN A 56 -62.378 -25.001 -5.363 1.00 0.00 O ATOM 885 NE2 GLN A 56 -64.383 -25.673 -4.821 1.00 0.00 N ATOM 0 H GLN A 56 -63.440 -20.731 -5.349 1.00 0.00 H new ATOM 0 HA GLN A 56 -63.275 -21.406 -2.528 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -61.957 -22.482 -5.062 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -61.693 -23.188 -3.480 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -64.174 -23.524 -3.224 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -64.427 -22.834 -4.815 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -65.282 -25.473 -4.383 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -64.214 -26.586 -5.243 1.00 0.00 H new ATOM 894 N GLN A 57 -60.655 -20.058 -4.018 1.00 0.00 N ATOM 895 CA GLN A 57 -59.355 -19.396 -3.716 1.00 0.00 C ATOM 896 C GLN A 57 -59.560 -18.346 -2.624 1.00 0.00 C ATOM 897 O GLN A 57 -58.713 -18.142 -1.778 1.00 0.00 O ATOM 898 CB GLN A 57 -58.820 -18.720 -4.980 1.00 0.00 C ATOM 899 CG GLN A 57 -58.666 -19.760 -6.091 1.00 0.00 C ATOM 900 CD GLN A 57 -58.296 -19.057 -7.399 1.00 0.00 C ATOM 901 OE1 GLN A 57 -58.477 -17.862 -7.532 1.00 0.00 O ATOM 902 NE2 GLN A 57 -57.782 -19.752 -8.377 1.00 0.00 N ATOM 0 H GLN A 57 -60.932 -20.044 -5.000 1.00 0.00 H new ATOM 0 HA GLN A 57 -58.638 -20.142 -3.373 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -59.501 -17.931 -5.299 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -57.859 -18.248 -4.774 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -57.895 -20.483 -5.823 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -59.595 -20.316 -6.215 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -57.630 -20.754 -8.265 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -57.532 -19.293 -9.253 1.00 0.00 H new ATOM 911 N GLN A 58 -60.680 -17.676 -2.636 1.00 0.00 N ATOM 912 CA GLN A 58 -60.940 -16.638 -1.600 1.00 0.00 C ATOM 913 C GLN A 58 -60.690 -17.229 -0.210 1.00 0.00 C ATOM 914 O GLN A 58 -60.334 -16.529 0.717 1.00 0.00 O ATOM 915 CB GLN A 58 -62.393 -16.171 -1.700 1.00 0.00 C ATOM 916 CG GLN A 58 -62.583 -15.371 -2.990 1.00 0.00 C ATOM 917 CD GLN A 58 -64.026 -14.870 -3.073 1.00 0.00 C ATOM 918 OE1 GLN A 58 -64.892 -15.356 -2.371 1.00 0.00 O ATOM 919 NE2 GLN A 58 -64.324 -13.911 -3.906 1.00 0.00 N ATOM 0 H GLN A 58 -61.426 -17.803 -3.319 1.00 0.00 H new ATOM 0 HA GLN A 58 -60.273 -15.791 -1.760 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -63.064 -17.030 -1.690 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -62.649 -15.556 -0.837 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -61.892 -14.528 -3.012 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -62.353 -15.994 -3.854 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -63.598 -13.503 -4.495 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -65.283 -13.569 -3.968 1.00 0.00 H new ATOM 928 N ARG A 59 -60.875 -18.511 -0.058 1.00 0.00 N ATOM 929 CA ARG A 59 -60.649 -19.143 1.271 1.00 0.00 C ATOM 930 C ARG A 59 -59.230 -18.838 1.746 1.00 0.00 C ATOM 931 O ARG A 59 -58.997 -18.563 2.906 1.00 0.00 O ATOM 932 CB ARG A 59 -60.839 -20.657 1.158 1.00 0.00 C ATOM 933 CG ARG A 59 -60.770 -21.287 2.550 1.00 0.00 C ATOM 934 CD ARG A 59 -61.215 -22.749 2.470 1.00 0.00 C ATOM 935 NE ARG A 59 -61.171 -23.357 3.830 1.00 0.00 N ATOM 936 CZ ARG A 59 -60.594 -24.514 4.009 1.00 0.00 C ATOM 937 NH1 ARG A 59 -59.472 -24.784 3.399 1.00 0.00 N ATOM 938 NH2 ARG A 59 -61.140 -25.400 4.796 1.00 0.00 N ATOM 0 H ARG A 59 -61.173 -19.148 -0.797 1.00 0.00 H new ATOM 0 HA ARG A 59 -61.365 -18.743 1.989 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -61.800 -20.880 0.694 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -60.068 -21.084 0.516 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -59.754 -21.226 2.939 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -61.409 -20.738 3.241 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -62.225 -22.811 2.065 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -60.565 -23.302 1.792 1.00 0.00 H new ATOM 0 HE ARG A 59 -61.592 -22.869 4.621 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -59.047 -24.091 2.783 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -59.020 -25.688 3.538 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -62.017 -25.188 5.271 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -60.689 -26.304 4.936 1.00 0.00 H new ATOM 952 N CYS A 60 -58.277 -18.878 0.857 1.00 0.00 N ATOM 953 CA CYS A 60 -56.872 -18.585 1.257 1.00 0.00 C ATOM 954 C CYS A 60 -56.861 -17.376 2.193 1.00 0.00 C ATOM 955 O CYS A 60 -56.895 -17.511 3.401 1.00 0.00 O ATOM 956 CB CYS A 60 -56.043 -18.274 0.008 1.00 0.00 C ATOM 957 SG CYS A 60 -54.422 -17.633 0.495 1.00 0.00 S ATOM 0 H CYS A 60 -58.410 -19.101 -0.129 1.00 0.00 H new ATOM 0 HA CYS A 60 -56.445 -19.448 1.768 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -55.923 -19.175 -0.594 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -56.562 -17.543 -0.612 1.00 0.00 H new ATOM 962 N CYS A 61 -56.815 -16.196 1.644 1.00 0.00 N ATOM 963 CA CYS A 61 -56.805 -14.976 2.501 1.00 0.00 C ATOM 964 C CYS A 61 -57.828 -15.137 3.627 1.00 0.00 C ATOM 965 O CYS A 61 -57.609 -14.711 4.744 1.00 0.00 O ATOM 966 CB CYS A 61 -57.165 -13.753 1.656 1.00 0.00 C ATOM 967 SG CYS A 61 -56.495 -12.265 2.438 1.00 0.00 S ATOM 0 H CYS A 61 -56.784 -16.022 0.639 1.00 0.00 H new ATOM 0 HA CYS A 61 -55.811 -14.841 2.928 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -56.762 -13.861 0.649 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -58.247 -13.670 1.559 1.00 0.00 H new ATOM 972 N ASP A 62 -58.945 -15.747 3.341 1.00 0.00 N ATOM 973 CA ASP A 62 -59.985 -15.934 4.393 1.00 0.00 C ATOM 974 C ASP A 62 -59.425 -16.806 5.516 1.00 0.00 C ATOM 975 O ASP A 62 -59.692 -16.583 6.681 1.00 0.00 O ATOM 976 CB ASP A 62 -61.214 -16.610 3.784 1.00 0.00 C ATOM 977 CG ASP A 62 -61.788 -15.723 2.678 1.00 0.00 C ATOM 978 OD1 ASP A 62 -61.388 -14.572 2.602 1.00 0.00 O ATOM 979 OD2 ASP A 62 -62.617 -16.208 1.926 1.00 0.00 O ATOM 0 H ASP A 62 -59.183 -16.124 2.424 1.00 0.00 H new ATOM 0 HA ASP A 62 -60.270 -14.963 4.797 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -60.943 -17.585 3.379 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -61.966 -16.783 4.554 1.00 0.00 H new ATOM 984 N GLU A 63 -58.647 -17.794 5.178 1.00 0.00 N ATOM 985 CA GLU A 63 -58.067 -18.674 6.229 1.00 0.00 C ATOM 986 C GLU A 63 -57.069 -17.868 7.058 1.00 0.00 C ATOM 987 O GLU A 63 -57.136 -17.835 8.271 1.00 0.00 O ATOM 988 CB GLU A 63 -57.351 -19.856 5.571 1.00 0.00 C ATOM 989 CG GLU A 63 -58.377 -20.742 4.860 1.00 0.00 C ATOM 990 CD GLU A 63 -59.199 -21.505 5.900 1.00 0.00 C ATOM 991 OE1 GLU A 63 -58.652 -21.821 6.944 1.00 0.00 O ATOM 992 OE2 GLU A 63 -60.362 -21.761 5.635 1.00 0.00 O ATOM 0 H GLU A 63 -58.387 -18.031 4.220 1.00 0.00 H new ATOM 0 HA GLU A 63 -58.861 -19.051 6.873 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -56.610 -19.495 4.858 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -56.814 -20.434 6.323 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -59.033 -20.131 4.239 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -57.871 -21.442 4.196 1.00 0.00 H new ATOM 999 N LEU A 64 -56.147 -17.210 6.412 1.00 0.00 N ATOM 1000 CA LEU A 64 -55.148 -16.398 7.159 1.00 0.00 C ATOM 1001 C LEU A 64 -55.836 -15.171 7.764 1.00 0.00 C ATOM 1002 O LEU A 64 -55.219 -14.371 8.438 1.00 0.00 O ATOM 1003 CB LEU A 64 -54.043 -15.944 6.204 1.00 0.00 C ATOM 1004 CG LEU A 64 -53.137 -17.132 5.872 1.00 0.00 C ATOM 1005 CD1 LEU A 64 -53.688 -17.868 4.649 1.00 0.00 C ATOM 1006 CD2 LEU A 64 -51.725 -16.628 5.572 1.00 0.00 C ATOM 0 H LEU A 64 -56.043 -17.200 5.397 1.00 0.00 H new ATOM 0 HA LEU A 64 -54.714 -17.001 7.957 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -54.480 -15.540 5.291 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -53.460 -15.144 6.660 1.00 0.00 H new ATOM 0 HG LEU A 64 -53.106 -17.814 6.722 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -53.043 -18.714 4.412 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -54.694 -18.228 4.864 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -53.720 -17.187 3.798 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -51.079 -17.474 5.336 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -51.755 -15.946 4.722 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -51.333 -16.105 6.444 1.00 0.00 H new ATOM 1018 N ASN A 65 -57.113 -15.017 7.531 1.00 0.00 N ATOM 1019 CA ASN A 65 -57.835 -13.844 8.096 1.00 0.00 C ATOM 1020 C ASN A 65 -58.505 -14.242 9.414 1.00 0.00 C ATOM 1021 O ASN A 65 -58.751 -13.415 10.269 1.00 0.00 O ATOM 1022 CB ASN A 65 -58.901 -13.376 7.103 1.00 0.00 C ATOM 1023 CG ASN A 65 -59.456 -12.022 7.550 1.00 0.00 C ATOM 1024 OD1 ASN A 65 -58.709 -11.085 7.758 1.00 0.00 O ATOM 1025 ND2 ASN A 65 -60.744 -11.876 7.706 1.00 0.00 N ATOM 0 H ASN A 65 -57.685 -15.653 6.975 1.00 0.00 H new ATOM 0 HA ASN A 65 -57.127 -13.035 8.279 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -58.472 -13.293 6.105 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -59.705 -14.109 7.044 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -61.123 -10.977 8.002 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -61.371 -12.661 7.532 1.00 0.00 H new ATOM 1032 N GLU A 66 -58.804 -15.502 9.587 1.00 0.00 N ATOM 1033 CA GLU A 66 -59.462 -15.940 10.852 1.00 0.00 C ATOM 1034 C GLU A 66 -58.671 -17.091 11.482 1.00 0.00 C ATOM 1035 O GLU A 66 -58.852 -17.416 12.639 1.00 0.00 O ATOM 1036 CB GLU A 66 -60.885 -16.411 10.548 1.00 0.00 C ATOM 1037 CG GLU A 66 -61.633 -15.313 9.789 1.00 0.00 C ATOM 1038 CD GLU A 66 -62.976 -15.857 9.298 1.00 0.00 C ATOM 1039 OE1 GLU A 66 -63.163 -17.062 9.359 1.00 0.00 O ATOM 1040 OE2 GLU A 66 -63.795 -15.061 8.868 1.00 0.00 O ATOM 0 H GLU A 66 -58.622 -16.244 8.911 1.00 0.00 H new ATOM 0 HA GLU A 66 -59.492 -15.102 11.548 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -60.858 -17.325 9.955 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -61.407 -16.648 11.475 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -61.793 -14.452 10.438 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -61.037 -14.969 8.944 1.00 0.00 H new ATOM 1093 N THR A 70 -54.002 -12.978 11.130 1.00 0.00 N ATOM 1094 CA THR A 70 -52.899 -12.085 10.681 1.00 0.00 C ATOM 1095 C THR A 70 -53.177 -10.656 11.151 1.00 0.00 C ATOM 1096 O THR A 70 -53.840 -9.889 10.481 1.00 0.00 O ATOM 1097 CB THR A 70 -52.809 -12.113 9.153 1.00 0.00 C ATOM 1098 OG1 THR A 70 -53.934 -11.440 8.602 1.00 0.00 O ATOM 1099 CG2 THR A 70 -52.792 -13.563 8.666 1.00 0.00 C ATOM 0 HA THR A 70 -51.956 -12.430 11.106 1.00 0.00 H new ATOM 0 HB THR A 70 -51.893 -11.615 8.834 1.00 0.00 H new ATOM 0 HG1 THR A 70 -53.968 -10.523 8.947 1.00 0.00 H new ATOM 0 HG21 THR A 70 -52.728 -13.581 7.578 1.00 0.00 H new ATOM 0 HG22 THR A 70 -51.930 -14.079 9.089 1.00 0.00 H new ATOM 0 HG23 THR A 70 -53.706 -14.064 8.984 1.00 0.00 H new ATOM 1107 N GLN A 71 -52.677 -10.292 12.300 1.00 0.00 N ATOM 1108 CA GLN A 71 -52.914 -8.913 12.814 1.00 0.00 C ATOM 1109 C GLN A 71 -51.924 -7.947 12.162 1.00 0.00 C ATOM 1110 O GLN A 71 -52.017 -6.746 12.322 1.00 0.00 O ATOM 1111 CB GLN A 71 -52.723 -8.895 14.331 1.00 0.00 C ATOM 1112 CG GLN A 71 -53.628 -9.948 14.974 1.00 0.00 C ATOM 1113 CD GLN A 71 -53.242 -10.124 16.444 1.00 0.00 C ATOM 1114 OE1 GLN A 71 -52.126 -9.838 16.829 1.00 0.00 O ATOM 1115 NE2 GLN A 71 -54.126 -10.585 17.285 1.00 0.00 N ATOM 0 H GLN A 71 -52.114 -10.890 12.905 1.00 0.00 H new ATOM 0 HA GLN A 71 -53.931 -8.605 12.573 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -51.681 -9.096 14.579 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -52.960 -7.907 14.726 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -54.672 -9.643 14.895 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -53.532 -10.897 14.446 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -55.063 -10.825 16.960 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -53.881 -10.706 18.268 1.00 0.00 H new ATOM 1124 N GLY A 72 -50.975 -8.460 11.428 1.00 0.00 N ATOM 1125 CA GLY A 72 -49.980 -7.570 10.768 1.00 0.00 C ATOM 1126 C GLY A 72 -48.901 -8.420 10.096 1.00 0.00 C ATOM 1127 O GLY A 72 -48.935 -9.634 10.141 1.00 0.00 O ATOM 0 H GLY A 72 -50.846 -9.457 11.257 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -50.474 -6.940 10.029 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -49.528 -6.904 11.503 1.00 0.00 H new ATOM 1131 N CYS A 73 -47.943 -7.791 9.470 1.00 0.00 N ATOM 1132 CA CYS A 73 -46.862 -8.561 8.793 1.00 0.00 C ATOM 1133 C CYS A 73 -47.388 -9.133 7.475 1.00 0.00 C ATOM 1134 O CYS A 73 -46.660 -9.750 6.721 1.00 0.00 O ATOM 1135 CB CYS A 73 -46.402 -9.705 9.700 1.00 0.00 C ATOM 1136 SG CYS A 73 -46.281 -9.109 11.404 1.00 0.00 S ATOM 0 H CYS A 73 -47.863 -6.777 9.399 1.00 0.00 H new ATOM 0 HA CYS A 73 -46.020 -7.899 8.590 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -47.106 -10.535 9.642 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -45.436 -10.083 9.366 1.00 0.00 H new ATOM 1141 N MET A 74 -48.645 -8.934 7.188 1.00 0.00 N ATOM 1142 CA MET A 74 -49.209 -9.467 5.917 1.00 0.00 C ATOM 1143 C MET A 74 -48.272 -9.112 4.761 1.00 0.00 C ATOM 1144 O MET A 74 -47.964 -9.936 3.923 1.00 0.00 O ATOM 1145 CB MET A 74 -50.584 -8.847 5.667 1.00 0.00 C ATOM 1146 CG MET A 74 -51.583 -9.387 6.693 1.00 0.00 C ATOM 1147 SD MET A 74 -53.265 -9.214 6.048 1.00 0.00 S ATOM 1148 CE MET A 74 -53.330 -10.785 5.153 1.00 0.00 C ATOM 0 H MET A 74 -49.304 -8.426 7.778 1.00 0.00 H new ATOM 0 HA MET A 74 -49.309 -10.550 5.988 1.00 0.00 H new ATOM 0 HB2 MET A 74 -50.523 -7.761 5.740 1.00 0.00 H new ATOM 0 HB3 MET A 74 -50.922 -9.081 4.657 1.00 0.00 H new ATOM 0 HG2 MET A 74 -51.370 -10.434 6.907 1.00 0.00 H new ATOM 0 HG3 MET A 74 -51.485 -8.843 7.633 1.00 0.00 H new ATOM 0 HE1 MET A 74 -54.301 -10.888 4.669 1.00 0.00 H new ATOM 0 HE2 MET A 74 -52.544 -10.806 4.398 1.00 0.00 H new ATOM 0 HE3 MET A 74 -53.184 -11.608 5.852 1.00 0.00 H new ATOM 1158 N CYS A 75 -47.814 -7.892 4.712 1.00 0.00 N ATOM 1159 CA CYS A 75 -46.895 -7.486 3.613 1.00 0.00 C ATOM 1160 C CYS A 75 -45.741 -8.485 3.525 1.00 0.00 C ATOM 1161 O CYS A 75 -45.386 -8.946 2.458 1.00 0.00 O ATOM 1162 CB CYS A 75 -46.341 -6.090 3.899 1.00 0.00 C ATOM 1163 SG CYS A 75 -45.255 -5.584 2.542 1.00 0.00 S ATOM 0 H CYS A 75 -48.036 -7.159 5.385 1.00 0.00 H new ATOM 0 HA CYS A 75 -47.439 -7.472 2.669 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -47.159 -5.378 4.010 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -45.790 -6.091 4.839 1.00 0.00 H new ATOM 0 HG CYS A 75 -44.784 -4.396 2.783 1.00 0.00 H new ATOM 1168 N GLU A 76 -45.155 -8.830 4.640 1.00 0.00 N ATOM 1169 CA GLU A 76 -44.030 -9.805 4.616 1.00 0.00 C ATOM 1170 C GLU A 76 -44.555 -11.159 4.134 1.00 0.00 C ATOM 1171 O GLU A 76 -43.811 -11.993 3.658 1.00 0.00 O ATOM 1172 CB GLU A 76 -43.452 -9.954 6.025 1.00 0.00 C ATOM 1173 CG GLU A 76 -42.986 -8.589 6.531 1.00 0.00 C ATOM 1174 CD GLU A 76 -42.285 -8.757 7.881 1.00 0.00 C ATOM 1175 OE1 GLU A 76 -42.141 -9.889 8.313 1.00 0.00 O ATOM 1176 OE2 GLU A 76 -41.904 -7.752 8.458 1.00 0.00 O ATOM 0 H GLU A 76 -45.407 -8.479 5.564 1.00 0.00 H new ATOM 0 HA GLU A 76 -43.249 -9.451 3.943 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -44.205 -10.365 6.697 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -42.617 -10.655 6.015 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -42.306 -8.135 5.810 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -43.838 -7.917 6.633 1.00 0.00 H new ATOM 1183 N ALA A 77 -45.838 -11.374 4.244 1.00 0.00 N ATOM 1184 CA ALA A 77 -46.417 -12.667 3.785 1.00 0.00 C ATOM 1185 C ALA A 77 -46.572 -12.632 2.265 1.00 0.00 C ATOM 1186 O ALA A 77 -46.066 -13.483 1.561 1.00 0.00 O ATOM 1187 CB ALA A 77 -47.785 -12.876 4.436 1.00 0.00 C ATOM 0 H ALA A 77 -46.509 -10.710 4.632 1.00 0.00 H new ATOM 0 HA ALA A 77 -45.757 -13.487 4.068 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -48.207 -13.823 4.099 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -47.673 -12.894 5.520 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -48.451 -12.061 4.153 1.00 0.00 H new ATOM 1193 N LEU A 78 -47.259 -11.649 1.750 1.00 0.00 N ATOM 1194 CA LEU A 78 -47.430 -11.563 0.275 1.00 0.00 C ATOM 1195 C LEU A 78 -46.051 -11.463 -0.374 1.00 0.00 C ATOM 1196 O LEU A 78 -45.772 -12.099 -1.371 1.00 0.00 O ATOM 1197 CB LEU A 78 -48.253 -10.321 -0.076 1.00 0.00 C ATOM 1198 CG LEU A 78 -48.483 -10.275 -1.588 1.00 0.00 C ATOM 1199 CD1 LEU A 78 -48.998 -11.634 -2.067 1.00 0.00 C ATOM 1200 CD2 LEU A 78 -49.517 -9.194 -1.914 1.00 0.00 C ATOM 0 H LEU A 78 -47.707 -10.905 2.286 1.00 0.00 H new ATOM 0 HA LEU A 78 -47.949 -12.449 -0.090 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -49.209 -10.344 0.448 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -47.732 -9.421 0.251 1.00 0.00 H new ATOM 0 HG LEU A 78 -47.544 -10.044 -2.092 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -49.162 -11.602 -3.144 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -48.263 -12.404 -1.835 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -49.937 -11.865 -1.564 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -49.681 -9.161 -2.991 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -50.456 -9.425 -1.411 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -49.151 -8.226 -1.573 1.00 0.00 H new ATOM 1212 N GLN A 79 -45.180 -10.672 0.192 1.00 0.00 N ATOM 1213 CA GLN A 79 -43.814 -10.535 -0.383 1.00 0.00 C ATOM 1214 C GLN A 79 -43.167 -11.916 -0.468 1.00 0.00 C ATOM 1215 O GLN A 79 -42.567 -12.273 -1.462 1.00 0.00 O ATOM 1216 CB GLN A 79 -42.969 -9.628 0.513 1.00 0.00 C ATOM 1217 CG GLN A 79 -43.399 -8.173 0.316 1.00 0.00 C ATOM 1218 CD GLN A 79 -42.560 -7.265 1.217 1.00 0.00 C ATOM 1219 OE1 GLN A 79 -41.905 -7.732 2.128 1.00 0.00 O ATOM 1220 NE2 GLN A 79 -42.552 -5.978 1.001 1.00 0.00 N ATOM 0 H GLN A 79 -45.357 -10.115 1.028 1.00 0.00 H new ATOM 0 HA GLN A 79 -43.877 -10.097 -1.379 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -43.090 -9.916 1.557 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -41.912 -9.742 0.271 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -43.273 -7.884 -0.727 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -44.457 -8.060 0.553 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -43.102 -5.586 0.236 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -41.996 -5.364 1.597 1.00 0.00 H new ATOM 1229 N GLN A 80 -43.287 -12.699 0.569 1.00 0.00 N ATOM 1230 CA GLN A 80 -42.683 -14.059 0.544 1.00 0.00 C ATOM 1231 C GLN A 80 -43.238 -14.832 -0.653 1.00 0.00 C ATOM 1232 O GLN A 80 -42.516 -15.513 -1.353 1.00 0.00 O ATOM 1233 CB GLN A 80 -43.033 -14.798 1.838 1.00 0.00 C ATOM 1234 CG GLN A 80 -42.091 -14.342 2.955 1.00 0.00 C ATOM 1235 CD GLN A 80 -42.498 -15.012 4.269 1.00 0.00 C ATOM 1236 OE1 GLN A 80 -41.981 -16.055 4.618 1.00 0.00 O ATOM 1237 NE2 GLN A 80 -43.408 -14.454 5.019 1.00 0.00 N ATOM 0 H GLN A 80 -43.776 -12.456 1.430 1.00 0.00 H new ATOM 0 HA GLN A 80 -41.599 -13.978 0.458 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -44.068 -14.598 2.116 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -42.945 -15.874 1.690 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -41.062 -14.601 2.706 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -42.131 -13.258 3.059 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -43.843 -13.579 4.727 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -43.685 -14.893 5.897 1.00 0.00 H new ATOM 1246 N ILE A 81 -44.516 -14.728 -0.895 1.00 0.00 N ATOM 1247 CA ILE A 81 -45.115 -15.451 -2.050 1.00 0.00 C ATOM 1248 C ILE A 81 -44.332 -15.108 -3.319 1.00 0.00 C ATOM 1249 O ILE A 81 -43.786 -15.972 -3.978 1.00 0.00 O ATOM 1250 CB ILE A 81 -46.574 -15.024 -2.219 1.00 0.00 C ATOM 1251 CG1 ILE A 81 -47.319 -15.207 -0.894 1.00 0.00 C ATOM 1252 CG2 ILE A 81 -47.236 -15.885 -3.296 1.00 0.00 C ATOM 1253 CD1 ILE A 81 -48.789 -14.825 -1.079 1.00 0.00 C ATOM 0 H ILE A 81 -45.170 -14.174 -0.343 1.00 0.00 H new ATOM 0 HA ILE A 81 -45.072 -16.525 -1.872 1.00 0.00 H new ATOM 0 HB ILE A 81 -46.612 -13.976 -2.515 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -47.240 -16.242 -0.560 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -46.865 -14.587 -0.121 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -48.276 -15.581 -3.417 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -46.708 -15.755 -4.241 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -47.197 -16.933 -2.999 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -49.320 -14.955 -0.136 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -48.858 -13.784 -1.393 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -49.238 -15.464 -1.839 1.00 0.00 H new ATOM 1265 N MET A 82 -44.267 -13.851 -3.663 1.00 0.00 N ATOM 1266 CA MET A 82 -43.515 -13.453 -4.885 1.00 0.00 C ATOM 1267 C MET A 82 -42.157 -14.154 -4.891 1.00 0.00 C ATOM 1268 O MET A 82 -41.772 -14.780 -5.858 1.00 0.00 O ATOM 1269 CB MET A 82 -43.307 -11.938 -4.885 1.00 0.00 C ATOM 1270 CG MET A 82 -44.647 -11.239 -5.124 1.00 0.00 C ATOM 1271 SD MET A 82 -44.367 -9.475 -5.411 1.00 0.00 S ATOM 1272 CE MET A 82 -43.470 -9.639 -6.974 1.00 0.00 C ATOM 0 H MET A 82 -44.702 -13.084 -3.151 1.00 0.00 H new ATOM 0 HA MET A 82 -44.079 -13.741 -5.772 1.00 0.00 H new ATOM 0 HB2 MET A 82 -42.883 -11.618 -3.933 1.00 0.00 H new ATOM 0 HB3 MET A 82 -42.595 -11.658 -5.661 1.00 0.00 H new ATOM 0 HG2 MET A 82 -45.152 -11.682 -5.982 1.00 0.00 H new ATOM 0 HG3 MET A 82 -45.300 -11.379 -4.263 1.00 0.00 H new ATOM 0 HE1 MET A 82 -43.706 -8.793 -7.620 1.00 0.00 H new ATOM 0 HE2 MET A 82 -42.398 -9.658 -6.778 1.00 0.00 H new ATOM 0 HE3 MET A 82 -43.765 -10.565 -7.467 1.00 0.00 H new ATOM 1282 N GLU A 83 -41.432 -14.064 -3.814 1.00 0.00 N ATOM 1283 CA GLU A 83 -40.103 -14.732 -3.755 1.00 0.00 C ATOM 1284 C GLU A 83 -40.304 -16.247 -3.764 1.00 0.00 C ATOM 1285 O GLU A 83 -39.394 -17.004 -4.038 1.00 0.00 O ATOM 1286 CB GLU A 83 -39.379 -14.319 -2.472 1.00 0.00 C ATOM 1287 CG GLU A 83 -39.067 -12.823 -2.521 1.00 0.00 C ATOM 1288 CD GLU A 83 -38.370 -12.403 -1.226 1.00 0.00 C ATOM 1289 OE1 GLU A 83 -38.290 -13.224 -0.327 1.00 0.00 O ATOM 1290 OE2 GLU A 83 -37.928 -11.268 -1.154 1.00 0.00 O ATOM 0 H GLU A 83 -41.701 -13.557 -2.971 1.00 0.00 H new ATOM 0 HA GLU A 83 -39.504 -14.436 -4.616 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -39.999 -14.544 -1.604 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -38.457 -14.890 -2.362 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -38.430 -12.602 -3.377 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -39.987 -12.253 -2.652 1.00 0.00 H new ATOM 1297 N ASN A 84 -41.493 -16.693 -3.467 1.00 0.00 N ATOM 1298 CA ASN A 84 -41.759 -18.158 -3.460 1.00 0.00 C ATOM 1299 C ASN A 84 -41.850 -18.664 -4.900 1.00 0.00 C ATOM 1300 O ASN A 84 -41.621 -19.826 -5.174 1.00 0.00 O ATOM 1301 CB ASN A 84 -43.078 -18.433 -2.737 1.00 0.00 C ATOM 1302 CG ASN A 84 -43.324 -19.943 -2.683 1.00 0.00 C ATOM 1303 OD1 ASN A 84 -42.457 -20.724 -3.024 1.00 0.00 O ATOM 1304 ND2 ASN A 84 -44.477 -20.390 -2.266 1.00 0.00 N ATOM 0 H ASN A 84 -42.292 -16.106 -3.229 1.00 0.00 H new ATOM 0 HA ASN A 84 -40.949 -18.673 -2.944 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -43.044 -18.023 -1.728 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -43.899 -17.938 -3.255 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -44.650 -21.394 -2.226 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -45.205 -19.735 -1.980 1.00 0.00 H new ATOM 1311 N GLN A 85 -42.183 -17.804 -5.826 1.00 0.00 N ATOM 1312 CA GLN A 85 -42.285 -18.249 -7.245 1.00 0.00 C ATOM 1313 C GLN A 85 -42.300 -17.033 -8.176 1.00 0.00 C ATOM 1314 O GLN A 85 -43.172 -16.892 -9.009 1.00 0.00 O ATOM 1315 CB GLN A 85 -43.575 -19.049 -7.434 1.00 0.00 C ATOM 1316 CG GLN A 85 -43.573 -19.700 -8.819 1.00 0.00 C ATOM 1317 CD GLN A 85 -42.423 -20.706 -8.907 1.00 0.00 C ATOM 1318 OE1 GLN A 85 -42.425 -21.710 -8.222 1.00 0.00 O ATOM 1319 NE2 GLN A 85 -41.434 -20.478 -9.727 1.00 0.00 N ATOM 0 H GLN A 85 -42.388 -16.818 -5.662 1.00 0.00 H new ATOM 0 HA GLN A 85 -41.425 -18.873 -7.487 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -43.658 -19.813 -6.661 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -44.440 -18.394 -7.329 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -44.524 -20.202 -8.998 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -43.464 -18.938 -9.591 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -41.432 -19.636 -10.302 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -40.663 -21.142 -9.793 1.00 0.00 H new ATOM 1328 N CYS A 86 -41.337 -16.158 -8.053 1.00 0.00 N ATOM 1329 CA CYS A 86 -41.304 -14.963 -8.945 1.00 0.00 C ATOM 1330 C CYS A 86 -40.144 -15.103 -9.931 1.00 0.00 C ATOM 1331 O CYS A 86 -40.048 -14.373 -10.899 1.00 0.00 O ATOM 1332 CB CYS A 86 -41.114 -13.693 -8.112 1.00 0.00 C ATOM 1333 SG CYS A 86 -39.574 -13.813 -7.168 1.00 0.00 S ATOM 0 H CYS A 86 -40.576 -16.219 -7.377 1.00 0.00 H new ATOM 0 HA CYS A 86 -42.246 -14.894 -9.489 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -41.086 -12.819 -8.763 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -41.958 -13.560 -7.435 1.00 0.00 H new ATOM 0 HG CYS A 86 -39.413 -12.734 -6.462 1.00 0.00 H new ATOM 1338 N ASP A 87 -39.261 -16.035 -9.697 1.00 0.00 N ATOM 1339 CA ASP A 87 -38.109 -16.221 -10.623 1.00 0.00 C ATOM 1340 C ASP A 87 -38.607 -16.174 -12.069 1.00 0.00 C ATOM 1341 O ASP A 87 -38.137 -15.394 -12.873 1.00 0.00 O ATOM 1342 CB ASP A 87 -37.451 -17.575 -10.355 1.00 0.00 C ATOM 1343 CG ASP A 87 -36.557 -17.472 -9.117 1.00 0.00 C ATOM 1344 OD1 ASP A 87 -36.410 -16.374 -8.606 1.00 0.00 O ATOM 1345 OD2 ASP A 87 -36.033 -18.493 -8.703 1.00 0.00 O ATOM 0 H ASP A 87 -39.288 -16.676 -8.904 1.00 0.00 H new ATOM 0 HA ASP A 87 -37.381 -15.426 -10.462 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -38.214 -18.338 -10.203 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -36.861 -17.882 -11.218 1.00 0.00 H new ATOM 1350 N ARG A 88 -39.559 -17.002 -12.403 1.00 0.00 N ATOM 1351 CA ARG A 88 -40.090 -17.006 -13.795 1.00 0.00 C ATOM 1352 C ARG A 88 -41.163 -15.922 -13.932 1.00 0.00 C ATOM 1353 O ARG A 88 -41.900 -15.880 -14.897 1.00 0.00 O ATOM 1354 CB ARG A 88 -40.701 -18.374 -14.103 1.00 0.00 C ATOM 1355 CG ARG A 88 -39.722 -19.472 -13.681 1.00 0.00 C ATOM 1356 CD ARG A 88 -40.416 -20.833 -13.753 1.00 0.00 C ATOM 1357 NE ARG A 88 -40.838 -21.103 -15.156 1.00 0.00 N ATOM 1358 CZ ARG A 88 -39.939 -21.321 -16.078 1.00 0.00 C ATOM 1359 NH1 ARG A 88 -39.606 -22.544 -16.387 1.00 0.00 N ATOM 1360 NH2 ARG A 88 -39.374 -20.317 -16.689 1.00 0.00 N ATOM 0 H ARG A 88 -39.992 -17.676 -11.772 1.00 0.00 H new ATOM 0 HA ARG A 88 -39.280 -16.806 -14.496 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -41.646 -18.490 -13.573 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -40.920 -18.456 -15.168 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -38.848 -19.463 -14.332 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -39.367 -19.287 -12.667 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -39.741 -21.616 -13.408 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -41.283 -20.846 -13.092 1.00 0.00 H new ATOM 0 HE ARG A 88 -41.829 -21.118 -15.397 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -40.048 -23.329 -15.909 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -38.904 -22.715 -17.107 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -39.634 -19.361 -16.447 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -38.672 -20.488 -17.409 1.00 0.00 H new ATOM 1374 N LEU A 89 -41.252 -15.043 -12.971 1.00 0.00 N ATOM 1375 CA LEU A 89 -42.272 -13.959 -13.040 1.00 0.00 C ATOM 1376 C LEU A 89 -42.158 -13.234 -14.383 1.00 0.00 C ATOM 1377 O LEU A 89 -43.097 -12.624 -14.852 1.00 0.00 O ATOM 1378 CB LEU A 89 -42.031 -12.964 -11.901 1.00 0.00 C ATOM 1379 CG LEU A 89 -42.856 -11.698 -12.140 1.00 0.00 C ATOM 1380 CD1 LEU A 89 -44.342 -12.021 -11.988 1.00 0.00 C ATOM 1381 CD2 LEU A 89 -42.459 -10.631 -11.119 1.00 0.00 C ATOM 0 H LEU A 89 -40.661 -15.029 -12.140 1.00 0.00 H new ATOM 0 HA LEU A 89 -43.269 -14.390 -12.945 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -42.306 -13.414 -10.947 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -40.972 -12.714 -11.842 1.00 0.00 H new ATOM 0 HG LEU A 89 -42.667 -11.326 -13.147 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -44.930 -11.119 -12.158 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -44.625 -12.781 -12.716 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -44.532 -12.393 -10.981 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -43.046 -9.729 -11.289 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -42.648 -11.003 -10.112 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -41.399 -10.400 -11.228 1.00 0.00 H new ATOM 1393 N GLN A 90 -41.012 -13.296 -15.004 1.00 0.00 N ATOM 1394 CA GLN A 90 -40.838 -12.610 -16.314 1.00 0.00 C ATOM 1395 C GLN A 90 -41.411 -11.194 -16.228 1.00 0.00 C ATOM 1396 O GLN A 90 -42.552 -10.954 -16.567 1.00 0.00 O ATOM 1397 CB GLN A 90 -41.576 -13.392 -17.404 1.00 0.00 C ATOM 1398 CG GLN A 90 -40.896 -14.748 -17.607 1.00 0.00 C ATOM 1399 CD GLN A 90 -41.764 -15.621 -18.516 1.00 0.00 C ATOM 1400 OE1 GLN A 90 -42.911 -15.308 -18.764 1.00 0.00 O ATOM 1401 NE2 GLN A 90 -41.261 -16.712 -19.026 1.00 0.00 N ATOM 0 H GLN A 90 -40.190 -13.792 -14.661 1.00 0.00 H new ATOM 0 HA GLN A 90 -39.777 -12.560 -16.558 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -42.619 -13.535 -17.121 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -41.573 -12.828 -18.337 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -39.910 -14.610 -18.051 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -40.747 -15.240 -16.646 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -40.298 -16.975 -18.818 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -41.831 -17.301 -19.633 1.00 0.00 H new ATOM 1410 N ASP A 91 -40.627 -10.253 -15.775 1.00 0.00 N ATOM 1411 CA ASP A 91 -41.127 -8.854 -15.666 1.00 0.00 C ATOM 1412 C ASP A 91 -41.508 -8.340 -17.056 1.00 0.00 C ATOM 1413 O ASP A 91 -42.139 -7.311 -17.197 1.00 0.00 O ATOM 1414 CB ASP A 91 -40.029 -7.965 -15.078 1.00 0.00 C ATOM 1415 CG ASP A 91 -39.857 -8.280 -13.591 1.00 0.00 C ATOM 1416 OD1 ASP A 91 -40.613 -9.095 -13.088 1.00 0.00 O ATOM 1417 OD2 ASP A 91 -38.972 -7.703 -12.982 1.00 0.00 O ATOM 0 H ASP A 91 -39.662 -10.393 -15.476 1.00 0.00 H new ATOM 0 HA ASP A 91 -42.002 -8.830 -15.016 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -39.090 -8.131 -15.606 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -40.288 -6.914 -15.210 1.00 0.00 H new ATOM 1422 N ARG A 92 -41.128 -9.048 -18.084 1.00 0.00 N ATOM 1423 CA ARG A 92 -41.466 -8.600 -19.464 1.00 0.00 C ATOM 1424 C ARG A 92 -42.938 -8.183 -19.525 1.00 0.00 C ATOM 1425 O ARG A 92 -43.295 -7.238 -20.199 1.00 0.00 O ATOM 1426 CB ARG A 92 -41.222 -9.748 -20.448 1.00 0.00 C ATOM 1427 CG ARG A 92 -39.720 -10.013 -20.559 1.00 0.00 C ATOM 1428 CD ARG A 92 -39.453 -10.938 -21.747 1.00 0.00 C ATOM 1429 NE ARG A 92 -39.600 -10.171 -23.016 1.00 0.00 N ATOM 1430 CZ ARG A 92 -38.972 -10.562 -24.092 1.00 0.00 C ATOM 1431 NH1 ARG A 92 -39.617 -11.202 -25.028 1.00 0.00 N ATOM 1432 NH2 ARG A 92 -37.698 -10.313 -24.230 1.00 0.00 N ATOM 0 H ARG A 92 -40.598 -9.918 -18.028 1.00 0.00 H new ATOM 0 HA ARG A 92 -40.838 -7.750 -19.731 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -41.737 -10.647 -20.109 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -41.631 -9.496 -21.426 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -39.182 -9.074 -20.688 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -39.351 -10.468 -19.640 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -38.449 -11.357 -21.677 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -40.150 -11.776 -21.733 1.00 0.00 H new ATOM 0 HE ARG A 92 -40.191 -9.340 -23.044 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -40.612 -11.397 -24.920 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -39.126 -11.507 -25.868 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -37.194 -9.813 -23.498 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -37.207 -10.618 -25.070 1.00 0.00 H new ATOM 1446 N GLN A 93 -43.796 -8.881 -18.830 1.00 0.00 N ATOM 1447 CA GLN A 93 -45.241 -8.516 -18.861 1.00 0.00 C ATOM 1448 C GLN A 93 -45.950 -9.079 -17.625 1.00 0.00 C ATOM 1449 O GLN A 93 -46.842 -8.462 -17.079 1.00 0.00 O ATOM 1450 CB GLN A 93 -45.884 -9.094 -20.122 1.00 0.00 C ATOM 1451 CG GLN A 93 -45.241 -8.464 -21.359 1.00 0.00 C ATOM 1452 CD GLN A 93 -46.042 -8.852 -22.604 1.00 0.00 C ATOM 1453 OE1 GLN A 93 -46.859 -9.749 -22.559 1.00 0.00 O ATOM 1454 NE2 GLN A 93 -45.840 -8.208 -23.721 1.00 0.00 N ATOM 0 H GLN A 93 -43.560 -9.683 -18.246 1.00 0.00 H new ATOM 0 HA GLN A 93 -45.335 -7.430 -18.864 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -45.756 -10.176 -20.144 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -46.956 -8.899 -20.118 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -45.213 -7.379 -21.255 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -44.209 -8.801 -21.458 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -45.154 -7.454 -23.758 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -46.369 -8.458 -24.557 1.00 0.00 H new ATOM 1463 N MET A 94 -45.569 -10.246 -17.182 1.00 0.00 N ATOM 1464 CA MET A 94 -46.233 -10.843 -15.987 1.00 0.00 C ATOM 1465 C MET A 94 -46.173 -9.862 -14.813 1.00 0.00 C ATOM 1466 O MET A 94 -47.187 -9.479 -14.262 1.00 0.00 O ATOM 1467 CB MET A 94 -45.517 -12.138 -15.601 1.00 0.00 C ATOM 1468 CG MET A 94 -46.505 -13.306 -15.661 1.00 0.00 C ATOM 1469 SD MET A 94 -47.919 -12.956 -14.588 1.00 0.00 S ATOM 1470 CE MET A 94 -47.027 -12.985 -13.013 1.00 0.00 C ATOM 0 H MET A 94 -44.828 -10.812 -17.595 1.00 0.00 H new ATOM 0 HA MET A 94 -47.275 -11.055 -16.226 1.00 0.00 H new ATOM 0 HB2 MET A 94 -44.682 -12.319 -16.277 1.00 0.00 H new ATOM 0 HB3 MET A 94 -45.101 -12.051 -14.597 1.00 0.00 H new ATOM 0 HG2 MET A 94 -46.842 -13.459 -16.686 1.00 0.00 H new ATOM 0 HG3 MET A 94 -46.015 -14.227 -15.346 1.00 0.00 H new ATOM 0 HE1 MET A 94 -47.731 -13.163 -12.200 1.00 0.00 H new ATOM 0 HE2 MET A 94 -46.284 -13.782 -13.031 1.00 0.00 H new ATOM 0 HE3 MET A 94 -46.529 -12.028 -12.859 1.00 0.00 H new ATOM 1480 N VAL A 95 -44.995 -9.462 -14.419 1.00 0.00 N ATOM 1481 CA VAL A 95 -44.870 -8.514 -13.273 1.00 0.00 C ATOM 1482 C VAL A 95 -45.970 -7.454 -13.350 1.00 0.00 C ATOM 1483 O VAL A 95 -46.401 -6.921 -12.347 1.00 0.00 O ATOM 1484 CB VAL A 95 -43.501 -7.834 -13.320 1.00 0.00 C ATOM 1485 CG1 VAL A 95 -43.400 -6.975 -14.581 1.00 0.00 C ATOM 1486 CG2 VAL A 95 -43.331 -6.949 -12.083 1.00 0.00 C ATOM 0 H VAL A 95 -44.112 -9.750 -14.841 1.00 0.00 H new ATOM 0 HA VAL A 95 -44.972 -9.067 -12.339 1.00 0.00 H new ATOM 0 HB VAL A 95 -42.718 -8.592 -13.336 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -42.424 -6.491 -14.614 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -43.522 -7.606 -15.462 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -44.182 -6.216 -14.567 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -42.356 -6.463 -12.114 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -44.114 -6.191 -12.068 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -43.402 -7.562 -11.185 1.00 0.00 H new ATOM 1496 N GLN A 96 -46.432 -7.143 -14.530 1.00 0.00 N ATOM 1497 CA GLN A 96 -47.504 -6.115 -14.660 1.00 0.00 C ATOM 1498 C GLN A 96 -48.811 -6.670 -14.094 1.00 0.00 C ATOM 1499 O GLN A 96 -49.181 -6.391 -12.971 1.00 0.00 O ATOM 1500 CB GLN A 96 -47.697 -5.757 -16.134 1.00 0.00 C ATOM 1501 CG GLN A 96 -46.479 -4.976 -16.632 1.00 0.00 C ATOM 1502 CD GLN A 96 -46.835 -4.249 -17.932 1.00 0.00 C ATOM 1503 OE1 GLN A 96 -47.734 -3.433 -17.958 1.00 0.00 O ATOM 1504 NE2 GLN A 96 -46.161 -4.514 -19.018 1.00 0.00 N ATOM 0 H GLN A 96 -46.115 -7.555 -15.408 1.00 0.00 H new ATOM 0 HA GLN A 96 -47.217 -5.221 -14.107 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -47.828 -6.663 -16.725 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -48.601 -5.161 -16.259 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -46.161 -4.258 -15.877 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -45.642 -5.654 -16.800 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -45.406 -5.200 -18.995 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -46.389 -4.036 -19.889 1.00 0.00 H new ATOM 1513 N GLN A 97 -49.512 -7.456 -14.861 1.00 0.00 N ATOM 1514 CA GLN A 97 -50.794 -8.031 -14.364 1.00 0.00 C ATOM 1515 C GLN A 97 -50.604 -8.510 -12.925 1.00 0.00 C ATOM 1516 O GLN A 97 -51.442 -8.295 -12.072 1.00 0.00 O ATOM 1517 CB GLN A 97 -51.201 -9.213 -15.246 1.00 0.00 C ATOM 1518 CG GLN A 97 -51.447 -8.726 -16.675 1.00 0.00 C ATOM 1519 CD GLN A 97 -51.525 -9.930 -17.617 1.00 0.00 C ATOM 1520 OE1 GLN A 97 -51.391 -11.059 -17.189 1.00 0.00 O ATOM 1521 NE2 GLN A 97 -51.737 -9.734 -18.889 1.00 0.00 N ATOM 0 H GLN A 97 -49.254 -7.726 -15.810 1.00 0.00 H new ATOM 0 HA GLN A 97 -51.574 -7.271 -14.398 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -50.418 -9.971 -15.239 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -52.102 -9.682 -14.850 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -52.373 -8.154 -16.721 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -50.644 -8.058 -16.987 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -51.849 -8.786 -19.247 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -51.790 -10.529 -19.526 1.00 0.00 H new ATOM 1530 N PHE A 98 -49.504 -9.154 -12.649 1.00 0.00 N ATOM 1531 CA PHE A 98 -49.261 -9.641 -11.263 1.00 0.00 C ATOM 1532 C PHE A 98 -49.197 -8.443 -10.320 1.00 0.00 C ATOM 1533 O PHE A 98 -49.847 -8.413 -9.295 1.00 0.00 O ATOM 1534 CB PHE A 98 -47.940 -10.413 -11.204 1.00 0.00 C ATOM 1535 CG PHE A 98 -47.873 -11.231 -9.931 1.00 0.00 C ATOM 1536 CD1 PHE A 98 -49.028 -11.443 -9.162 1.00 0.00 C ATOM 1537 CD2 PHE A 98 -46.651 -11.783 -9.520 1.00 0.00 C ATOM 1538 CE1 PHE A 98 -48.958 -12.203 -7.989 1.00 0.00 C ATOM 1539 CE2 PHE A 98 -46.584 -12.542 -8.345 1.00 0.00 C ATOM 1540 CZ PHE A 98 -47.736 -12.753 -7.581 1.00 0.00 C ATOM 0 H PHE A 98 -48.766 -9.363 -13.321 1.00 0.00 H new ATOM 0 HA PHE A 98 -50.071 -10.305 -10.963 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -47.853 -11.067 -12.071 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -47.101 -9.718 -11.244 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -49.971 -11.020 -9.476 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -45.761 -11.623 -10.110 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -49.847 -12.366 -7.398 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -45.642 -12.965 -8.029 1.00 0.00 H new ATOM 0 HZ PHE A 98 -47.684 -13.340 -6.676 1.00 0.00 H new ATOM 1550 N LYS A 99 -48.426 -7.450 -10.665 1.00 0.00 N ATOM 1551 CA LYS A 99 -48.330 -6.249 -9.792 1.00 0.00 C ATOM 1552 C LYS A 99 -49.708 -5.596 -9.696 1.00 0.00 C ATOM 1553 O LYS A 99 -50.102 -5.100 -8.660 1.00 0.00 O ATOM 1554 CB LYS A 99 -47.331 -5.254 -10.388 1.00 0.00 C ATOM 1555 CG LYS A 99 -47.145 -4.082 -9.421 1.00 0.00 C ATOM 1556 CD LYS A 99 -46.130 -3.096 -10.002 1.00 0.00 C ATOM 1557 CE LYS A 99 -45.826 -2.009 -8.968 1.00 0.00 C ATOM 1558 NZ LYS A 99 -44.410 -1.569 -9.109 1.00 0.00 N ATOM 0 H LYS A 99 -47.859 -7.419 -11.513 1.00 0.00 H new ATOM 0 HA LYS A 99 -47.989 -6.543 -8.799 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -46.375 -5.746 -10.570 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -47.691 -4.892 -11.351 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -48.098 -3.581 -9.252 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -46.801 -4.447 -8.453 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -45.214 -3.619 -10.275 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -46.524 -2.646 -10.913 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -46.497 -1.161 -9.108 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -46.001 -2.391 -7.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -44.204 -0.831 -8.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -43.777 -2.380 -8.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -44.258 -1.189 -10.065 1.00 0.00 H new ATOM 1572 N ARG A 100 -50.448 -5.604 -10.769 1.00 0.00 N ATOM 1573 CA ARG A 100 -51.806 -4.997 -10.742 1.00 0.00 C ATOM 1574 C ARG A 100 -52.713 -5.856 -9.862 1.00 0.00 C ATOM 1575 O ARG A 100 -53.351 -5.369 -8.950 1.00 0.00 O ATOM 1576 CB ARG A 100 -52.372 -4.942 -12.163 1.00 0.00 C ATOM 1577 CG ARG A 100 -51.579 -3.927 -12.988 1.00 0.00 C ATOM 1578 CD ARG A 100 -52.148 -3.864 -14.407 1.00 0.00 C ATOM 1579 NE ARG A 100 -53.381 -3.028 -14.412 1.00 0.00 N ATOM 1580 CZ ARG A 100 -53.318 -1.774 -14.767 1.00 0.00 C ATOM 1581 NH1 ARG A 100 -52.745 -1.443 -15.892 1.00 0.00 N ATOM 1582 NH2 ARG A 100 -53.826 -0.850 -13.998 1.00 0.00 N ATOM 0 H ARG A 100 -50.170 -6.005 -11.664 1.00 0.00 H new ATOM 0 HA ARG A 100 -51.751 -3.985 -10.341 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -52.316 -5.927 -12.627 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -53.425 -4.662 -12.136 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -51.630 -2.944 -12.521 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -50.527 -4.211 -13.019 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -51.408 -3.444 -15.088 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -52.376 -4.868 -14.764 1.00 0.00 H new ATOM 0 HE ARG A 100 -54.275 -3.436 -14.138 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -52.347 -2.164 -16.493 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -52.695 -0.463 -16.170 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -54.273 -1.108 -13.118 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -53.776 0.130 -14.277 1.00 0.00 H new ATOM 1596 N GLU A 101 -52.762 -7.135 -10.117 1.00 0.00 N ATOM 1597 CA GLU A 101 -53.616 -8.023 -9.282 1.00 0.00 C ATOM 1598 C GLU A 101 -53.095 -7.987 -7.847 1.00 0.00 C ATOM 1599 O GLU A 101 -53.850 -8.013 -6.896 1.00 0.00 O ATOM 1600 CB GLU A 101 -53.549 -9.454 -9.819 1.00 0.00 C ATOM 1601 CG GLU A 101 -54.749 -10.250 -9.304 1.00 0.00 C ATOM 1602 CD GLU A 101 -56.032 -9.696 -9.926 1.00 0.00 C ATOM 1603 OE1 GLU A 101 -55.950 -9.140 -11.009 1.00 0.00 O ATOM 1604 OE2 GLU A 101 -57.075 -9.834 -9.308 1.00 0.00 O ATOM 0 H GLU A 101 -52.249 -7.601 -10.865 1.00 0.00 H new ATOM 0 HA GLU A 101 -54.651 -7.683 -9.312 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -53.546 -9.445 -10.909 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -52.621 -9.929 -9.502 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -54.635 -11.304 -9.557 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -54.802 -10.186 -8.217 1.00 0.00 H new ATOM 1611 N LEU A 102 -51.801 -7.923 -7.688 1.00 0.00 N ATOM 1612 CA LEU A 102 -51.219 -7.879 -6.319 1.00 0.00 C ATOM 1613 C LEU A 102 -51.770 -6.663 -5.579 1.00 0.00 C ATOM 1614 O LEU A 102 -52.146 -6.748 -4.430 1.00 0.00 O ATOM 1615 CB LEU A 102 -49.695 -7.776 -6.406 1.00 0.00 C ATOM 1616 CG LEU A 102 -49.056 -9.004 -5.752 1.00 0.00 C ATOM 1617 CD1 LEU A 102 -49.803 -10.268 -6.183 1.00 0.00 C ATOM 1618 CD2 LEU A 102 -47.592 -9.106 -6.185 1.00 0.00 C ATOM 0 H LEU A 102 -51.122 -7.899 -8.449 1.00 0.00 H new ATOM 0 HA LEU A 102 -51.485 -8.790 -5.782 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -49.385 -7.705 -7.448 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -49.353 -6.868 -5.909 1.00 0.00 H new ATOM 0 HG LEU A 102 -49.112 -8.905 -4.668 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -49.344 -11.139 -5.715 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -50.846 -10.197 -5.874 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -49.751 -10.369 -7.267 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -47.135 -9.980 -5.720 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -47.539 -9.202 -7.269 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -47.057 -8.209 -5.874 1.00 0.00 H new ATOM 1630 N MET A 103 -51.826 -5.532 -6.227 1.00 0.00 N ATOM 1631 CA MET A 103 -52.361 -4.318 -5.551 1.00 0.00 C ATOM 1632 C MET A 103 -53.766 -4.614 -5.023 1.00 0.00 C ATOM 1633 O MET A 103 -54.203 -4.048 -4.040 1.00 0.00 O ATOM 1634 CB MET A 103 -52.421 -3.162 -6.550 1.00 0.00 C ATOM 1635 CG MET A 103 -51.037 -2.521 -6.671 1.00 0.00 C ATOM 1636 SD MET A 103 -51.177 -0.944 -7.549 1.00 0.00 S ATOM 1637 CE MET A 103 -51.715 -1.617 -9.140 1.00 0.00 C ATOM 0 H MET A 103 -51.525 -5.397 -7.192 1.00 0.00 H new ATOM 0 HA MET A 103 -51.710 -4.043 -4.721 1.00 0.00 H new ATOM 0 HB2 MET A 103 -52.752 -3.525 -7.523 1.00 0.00 H new ATOM 0 HB3 MET A 103 -53.150 -2.421 -6.222 1.00 0.00 H new ATOM 0 HG2 MET A 103 -50.611 -2.361 -5.681 1.00 0.00 H new ATOM 0 HG3 MET A 103 -50.361 -3.188 -7.206 1.00 0.00 H new ATOM 0 HE1 MET A 103 -51.728 -0.822 -9.886 1.00 0.00 H new ATOM 0 HE2 MET A 103 -51.025 -2.400 -9.456 1.00 0.00 H new ATOM 0 HE3 MET A 103 -52.716 -2.035 -9.038 1.00 0.00 H new ATOM 1647 N SER A 104 -54.476 -5.497 -5.669 1.00 0.00 N ATOM 1648 CA SER A 104 -55.853 -5.833 -5.206 1.00 0.00 C ATOM 1649 C SER A 104 -55.778 -6.856 -4.069 1.00 0.00 C ATOM 1650 O SER A 104 -56.607 -6.873 -3.182 1.00 0.00 O ATOM 1651 CB SER A 104 -56.652 -6.424 -6.370 1.00 0.00 C ATOM 1652 OG SER A 104 -56.164 -7.724 -6.667 1.00 0.00 O ATOM 0 H SER A 104 -54.162 -6.001 -6.498 1.00 0.00 H new ATOM 0 HA SER A 104 -56.344 -4.929 -4.848 1.00 0.00 H new ATOM 0 HB2 SER A 104 -57.710 -6.471 -6.112 1.00 0.00 H new ATOM 0 HB3 SER A 104 -56.566 -5.782 -7.247 1.00 0.00 H new ATOM 0 HG SER A 104 -55.250 -7.659 -7.014 1.00 0.00 H new ATOM 1658 N LEU A 105 -54.794 -7.714 -4.093 1.00 0.00 N ATOM 1659 CA LEU A 105 -54.673 -8.741 -3.019 1.00 0.00 C ATOM 1660 C LEU A 105 -54.880 -8.102 -1.642 1.00 0.00 C ATOM 1661 O LEU A 105 -55.613 -8.620 -0.823 1.00 0.00 O ATOM 1662 CB LEU A 105 -53.288 -9.389 -3.082 1.00 0.00 C ATOM 1663 CG LEU A 105 -53.425 -10.822 -3.603 1.00 0.00 C ATOM 1664 CD1 LEU A 105 -52.090 -11.552 -3.460 1.00 0.00 C ATOM 1665 CD2 LEU A 105 -54.496 -11.561 -2.796 1.00 0.00 C ATOM 0 H LEU A 105 -54.069 -7.748 -4.810 1.00 0.00 H new ATOM 0 HA LEU A 105 -55.440 -9.501 -3.172 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -52.633 -8.813 -3.736 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -52.829 -9.391 -2.093 1.00 0.00 H new ATOM 0 HG LEU A 105 -53.713 -10.795 -4.654 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -52.191 -12.572 -3.832 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -51.326 -11.030 -4.036 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -51.799 -11.576 -2.410 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -54.593 -12.581 -3.168 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -54.208 -11.584 -1.745 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -55.451 -11.045 -2.900 1.00 0.00 H new ATOM 1677 N PRO A 106 -54.225 -6.958 -1.374 1.00 0.00 N ATOM 1678 CA PRO A 106 -54.354 -6.267 -0.084 1.00 0.00 C ATOM 1679 C PRO A 106 -55.768 -5.723 0.118 1.00 0.00 C ATOM 1680 O PRO A 106 -56.112 -5.236 1.176 1.00 0.00 O ATOM 1681 CB PRO A 106 -53.345 -5.124 -0.184 1.00 0.00 C ATOM 1682 CG PRO A 106 -53.192 -4.892 -1.647 1.00 0.00 C ATOM 1683 CD PRO A 106 -53.321 -6.243 -2.291 1.00 0.00 C ATOM 0 HA PRO A 106 -54.169 -6.928 0.763 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -53.706 -4.230 0.325 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -52.394 -5.392 0.277 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -53.956 -4.208 -2.017 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -52.225 -4.442 -1.873 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -53.737 -6.174 -3.296 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -52.356 -6.743 -2.379 1.00 0.00 H new ATOM 1691 N GLN A 107 -56.592 -5.817 -0.888 1.00 0.00 N ATOM 1692 CA GLN A 107 -57.988 -5.322 -0.754 1.00 0.00 C ATOM 1693 C GLN A 107 -58.867 -6.463 -0.245 1.00 0.00 C ATOM 1694 O GLN A 107 -59.689 -6.286 0.633 1.00 0.00 O ATOM 1695 CB GLN A 107 -58.498 -4.848 -2.117 1.00 0.00 C ATOM 1696 CG GLN A 107 -59.895 -4.244 -1.958 1.00 0.00 C ATOM 1697 CD GLN A 107 -60.399 -3.761 -3.319 1.00 0.00 C ATOM 1698 OE1 GLN A 107 -59.681 -3.807 -4.298 1.00 0.00 O ATOM 1699 NE2 GLN A 107 -61.614 -3.298 -3.423 1.00 0.00 N ATOM 0 H GLN A 107 -56.358 -6.216 -1.797 1.00 0.00 H new ATOM 0 HA GLN A 107 -58.021 -4.488 -0.053 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -57.816 -4.108 -2.535 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -58.529 -5.684 -2.816 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -60.579 -4.986 -1.547 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -59.866 -3.413 -1.253 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -62.217 -3.259 -2.601 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -61.961 -2.975 -4.326 1.00 0.00 H new ATOM 1708 N GLN A 108 -58.697 -7.635 -0.790 1.00 0.00 N ATOM 1709 CA GLN A 108 -59.518 -8.793 -0.341 1.00 0.00 C ATOM 1710 C GLN A 108 -59.465 -8.890 1.185 1.00 0.00 C ATOM 1711 O GLN A 108 -60.367 -9.403 1.817 1.00 0.00 O ATOM 1712 CB GLN A 108 -58.964 -10.081 -0.955 1.00 0.00 C ATOM 1713 CG GLN A 108 -58.963 -9.960 -2.480 1.00 0.00 C ATOM 1714 CD GLN A 108 -58.692 -11.332 -3.100 1.00 0.00 C ATOM 1715 OE1 GLN A 108 -59.201 -11.644 -4.158 1.00 0.00 O ATOM 1716 NE2 GLN A 108 -57.906 -12.170 -2.482 1.00 0.00 N ATOM 0 H GLN A 108 -58.024 -7.841 -1.528 1.00 0.00 H new ATOM 0 HA GLN A 108 -60.550 -8.655 -0.662 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -57.952 -10.263 -0.593 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -59.570 -10.933 -0.648 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -59.923 -9.576 -2.826 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -58.201 -9.248 -2.799 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -57.479 -11.908 -1.594 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -57.719 -13.087 -2.887 1.00 0.00 H new ATOM 1725 N CYS A 109 -58.414 -8.398 1.782 1.00 0.00 N ATOM 1726 CA CYS A 109 -58.300 -8.459 3.266 1.00 0.00 C ATOM 1727 C CYS A 109 -57.634 -7.183 3.776 1.00 0.00 C ATOM 1728 O CYS A 109 -58.264 -6.340 4.384 1.00 0.00 O ATOM 1729 CB CYS A 109 -57.454 -9.671 3.663 1.00 0.00 C ATOM 1730 SG CYS A 109 -58.126 -11.158 2.880 1.00 0.00 S ATOM 0 H CYS A 109 -57.628 -7.956 1.305 1.00 0.00 H new ATOM 0 HA CYS A 109 -59.294 -8.551 3.705 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -56.419 -9.522 3.356 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -57.452 -9.787 4.747 1.00 0.00 H new ATOM 1735 N ASN A 110 -56.363 -7.034 3.530 1.00 0.00 N ATOM 1736 CA ASN A 110 -55.649 -5.810 3.996 1.00 0.00 C ATOM 1737 C ASN A 110 -54.138 -6.059 3.989 1.00 0.00 C ATOM 1738 O ASN A 110 -53.406 -5.501 4.783 1.00 0.00 O ATOM 1739 CB ASN A 110 -56.100 -5.465 5.416 1.00 0.00 C ATOM 1740 CG ASN A 110 -56.258 -6.751 6.228 1.00 0.00 C ATOM 1741 OD1 ASN A 110 -57.346 -7.277 6.350 1.00 0.00 O ATOM 1742 ND2 ASN A 110 -55.210 -7.284 6.795 1.00 0.00 N ATOM 0 H ASN A 110 -55.786 -7.707 3.026 1.00 0.00 H new ATOM 0 HA ASN A 110 -55.882 -4.981 3.327 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -55.370 -4.810 5.891 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -57.045 -4.922 5.387 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -55.305 -8.141 7.340 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -54.296 -6.843 6.693 1.00 0.00 H new