USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=12 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 93 GLN : amide:sc= -0.345 K(o=-0.83,f=-1.4!) USER MOD Set 1.2: A 96 GLN : amide:sc= -0.485 K(o=-0.83,f=0) USER MOD Set 2.1: A 31 HIS : no HE2:sc= -11.9! C(o=-28!,f=-36!) USER MOD Set 2.2: A 57 GLN : amide:sc= -11.7! C(o=-28!,f=-26!) USER MOD Set 2.3: A 108 GLN : amide:sc= -4.4! C(o=-28!,f=-36!) USER MOD Set 3.1: A 33 MET CE :methyl -147:sc= -0.454 (180deg=0) USER MOD Set 3.2: A 94 MET CE :methyl -148:sc= -22.2! (180deg=-20.8!) USER MOD Set 4.1: A 30 GLN : amide:sc= -0.0286 K(o=-0.97,f=-2!) USER MOD Set 4.2: A 85 GLN : amide:sc= -0.937! K(o=-0.97!,f=-1.8) USER MOD Set 5.1: A 26 LYS NZ :NH3+ -147:sc= 0 (180deg=0) USER MOD Set 5.2: A 84 ASN : amide:sc= -0.115 K(o=-0.12,f=-1) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 24 ASN : amide:sc=-0.00429 K(o=-0.0043,f=-1.7!) USER MOD Single : A 34 GLN : amide:sc= -0.197 K(o=-0.2,f=-1.8!) USER MOD Single : A 37 MET CE :methyl -162:sc= 0 (180deg=-0.193) USER MOD Single : A 56 GLN : amide:sc= -1.2 K(o=-1.2,f=-4.4!) 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) USER MOD Single : A 70 THR OG1 : rot -36:sc= 0.0368 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 74 MET CE :methyl -132:sc= -0.428 (180deg=-4.33!) USER MOD Single : A 75 CYS SG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.0012) USER MOD Single : A 80 GLN : amide:sc= -7.71! C(o=-7.7!,f=-7.9!) USER MOD Single : A 82 MET CE :methyl 140:sc= -0.198 (180deg=-1.35!) USER MOD Single : A 86 CYS SG : rot 57:sc= -4.12! USER MOD Single : A 90 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 97 GLN : amide:sc=-0.00601 X(o=-0.006,f=-0.15) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot -65:sc= 0.579 USER MOD Single : A 107 GLN : amide:sc= -0.119 K(o=-0.12,f=-1.7!) USER MOD Single : A 110 ASN : amide:sc= -2.86! C(o=-2.9!,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 217 N SER A 15 -39.549 -12.672 16.358 1.00 0.00 N ATOM 218 CA SER A 15 -39.858 -11.709 15.263 1.00 0.00 C ATOM 219 C SER A 15 -41.116 -12.167 14.521 1.00 0.00 C ATOM 220 O SER A 15 -41.356 -13.346 14.353 1.00 0.00 O ATOM 221 CB SER A 15 -38.682 -11.654 14.286 1.00 0.00 C ATOM 222 OG SER A 15 -38.651 -12.845 13.514 1.00 0.00 O ATOM 0 HA SER A 15 -40.026 -10.719 15.686 1.00 0.00 H new ATOM 0 HB2 SER A 15 -38.779 -10.787 13.633 1.00 0.00 H new ATOM 0 HB3 SER A 15 -37.746 -11.538 14.833 1.00 0.00 H new ATOM 0 HG SER A 15 -37.899 -12.809 12.887 1.00 0.00 H new ATOM 228 N CYS A 16 -41.922 -11.241 14.075 1.00 0.00 N ATOM 229 CA CYS A 16 -43.163 -11.625 13.344 1.00 0.00 C ATOM 230 C CYS A 16 -42.789 -12.377 12.065 1.00 0.00 C ATOM 231 O CYS A 16 -43.560 -13.160 11.547 1.00 0.00 O ATOM 232 CB CYS A 16 -43.951 -10.364 12.981 1.00 0.00 C ATOM 233 SG CYS A 16 -45.492 -10.834 12.154 1.00 0.00 S ATOM 0 H CYS A 16 -41.775 -10.238 14.185 1.00 0.00 H new ATOM 0 HA CYS A 16 -43.775 -12.267 13.978 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -44.169 -9.787 13.880 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -43.356 -9.725 12.329 1.00 0.00 H new ATOM 238 N GLU A 17 -41.612 -12.145 11.553 1.00 0.00 N ATOM 239 CA GLU A 17 -41.190 -12.846 10.308 1.00 0.00 C ATOM 240 C GLU A 17 -41.431 -14.348 10.463 1.00 0.00 C ATOM 241 O GLU A 17 -41.899 -15.009 9.559 1.00 0.00 O ATOM 242 CB GLU A 17 -39.702 -12.591 10.058 1.00 0.00 C ATOM 243 CG GLU A 17 -39.478 -11.104 9.781 1.00 0.00 C ATOM 244 CD GLU A 17 -40.502 -10.615 8.754 1.00 0.00 C ATOM 245 OE1 GLU A 17 -40.584 -11.216 7.696 1.00 0.00 O ATOM 246 OE2 GLU A 17 -41.187 -9.649 9.045 1.00 0.00 O ATOM 0 H GLU A 17 -40.924 -11.500 11.943 1.00 0.00 H new ATOM 0 HA GLU A 17 -41.769 -12.470 9.465 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -39.118 -12.902 10.924 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -39.358 -13.185 9.212 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -39.573 -10.533 10.705 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -38.467 -10.941 9.408 1.00 0.00 H new ATOM 253 N ARG A 18 -41.115 -14.893 11.607 1.00 0.00 N ATOM 254 CA ARG A 18 -41.326 -16.353 11.820 1.00 0.00 C ATOM 255 C ARG A 18 -42.806 -16.689 11.613 1.00 0.00 C ATOM 256 O ARG A 18 -43.161 -17.811 11.315 1.00 0.00 O ATOM 257 CB ARG A 18 -40.913 -16.725 13.246 1.00 0.00 C ATOM 258 CG ARG A 18 -39.417 -16.462 13.427 1.00 0.00 C ATOM 259 CD ARG A 18 -38.970 -16.980 14.797 1.00 0.00 C ATOM 260 NE ARG A 18 -39.101 -18.464 14.832 1.00 0.00 N ATOM 261 CZ ARG A 18 -38.478 -19.154 15.749 1.00 0.00 C ATOM 262 NH1 ARG A 18 -37.274 -18.812 16.117 1.00 0.00 N ATOM 263 NH2 ARG A 18 -39.060 -20.185 16.298 1.00 0.00 N ATOM 0 H ARG A 18 -40.720 -14.391 12.402 1.00 0.00 H new ATOM 0 HA ARG A 18 -40.722 -16.916 11.108 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -41.486 -16.141 13.966 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -41.135 -17.775 13.438 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -38.852 -16.957 12.637 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -39.212 -15.395 13.345 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -37.937 -16.691 14.988 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -39.577 -16.532 15.583 1.00 0.00 H new ATOM 0 HE ARG A 18 -39.678 -18.941 14.139 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -36.819 -18.006 15.688 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -36.787 -19.351 16.833 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -40.002 -20.452 16.011 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -38.573 -20.724 17.014 1.00 0.00 H new ATOM 277 N GLN A 19 -43.670 -15.723 11.768 1.00 0.00 N ATOM 278 CA GLN A 19 -45.124 -15.986 11.580 1.00 0.00 C ATOM 279 C GLN A 19 -45.450 -16.003 10.085 1.00 0.00 C ATOM 280 O GLN A 19 -46.421 -16.595 9.658 1.00 0.00 O ATOM 281 CB GLN A 19 -45.935 -14.885 12.266 1.00 0.00 C ATOM 282 CG GLN A 19 -45.845 -15.053 13.784 1.00 0.00 C ATOM 283 CD GLN A 19 -46.742 -14.018 14.465 1.00 0.00 C ATOM 284 OE1 GLN A 19 -47.216 -13.096 13.831 1.00 0.00 O ATOM 285 NE2 GLN A 19 -46.994 -14.130 15.741 1.00 0.00 N ATOM 0 H GLN A 19 -43.431 -14.763 12.017 1.00 0.00 H new ATOM 0 HA GLN A 19 -45.378 -16.951 12.019 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -45.556 -13.905 11.975 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -46.976 -14.932 11.946 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -46.152 -16.059 14.068 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -44.813 -14.929 14.114 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -46.596 -14.904 16.273 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -47.589 -13.444 16.206 1.00 0.00 H new ATOM 294 N VAL A 20 -44.646 -15.357 9.286 1.00 0.00 N ATOM 295 CA VAL A 20 -44.911 -15.336 7.819 1.00 0.00 C ATOM 296 C VAL A 20 -44.547 -16.694 7.218 1.00 0.00 C ATOM 297 O VAL A 20 -45.185 -17.167 6.296 1.00 0.00 O ATOM 298 CB VAL A 20 -44.064 -14.243 7.163 1.00 0.00 C ATOM 299 CG1 VAL A 20 -44.586 -13.974 5.750 1.00 0.00 C ATOM 300 CG2 VAL A 20 -44.153 -12.961 7.993 1.00 0.00 C ATOM 0 H VAL A 20 -43.817 -14.843 9.585 1.00 0.00 H new ATOM 0 HA VAL A 20 -45.967 -15.131 7.642 1.00 0.00 H new ATOM 0 HB VAL A 20 -43.025 -14.570 7.111 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -43.984 -13.196 5.282 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -44.522 -14.887 5.159 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -45.625 -13.647 5.802 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -43.550 -12.183 7.526 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -45.191 -12.633 8.046 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -43.782 -13.153 9.000 1.00 0.00 H new ATOM 310 N ASP A 21 -43.527 -17.327 7.729 1.00 0.00 N ATOM 311 CA ASP A 21 -43.126 -18.655 7.186 1.00 0.00 C ATOM 312 C ASP A 21 -44.338 -19.587 7.166 1.00 0.00 C ATOM 313 O ASP A 21 -44.447 -20.463 6.331 1.00 0.00 O ATOM 314 CB ASP A 21 -42.033 -19.259 8.071 1.00 0.00 C ATOM 315 CG ASP A 21 -40.721 -18.504 7.850 1.00 0.00 C ATOM 316 OD1 ASP A 21 -40.675 -17.687 6.946 1.00 0.00 O ATOM 317 OD2 ASP A 21 -39.783 -18.756 8.588 1.00 0.00 O ATOM 0 H ASP A 21 -42.954 -16.982 8.499 1.00 0.00 H new ATOM 0 HA ASP A 21 -42.747 -18.532 6.172 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -42.326 -19.201 9.119 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -41.901 -20.315 7.835 1.00 0.00 H new ATOM 322 N ARG A 22 -45.251 -19.405 8.080 1.00 0.00 N ATOM 323 CA ARG A 22 -46.457 -20.280 8.115 1.00 0.00 C ATOM 324 C ARG A 22 -47.376 -19.929 6.944 1.00 0.00 C ATOM 325 O ARG A 22 -48.245 -20.693 6.575 1.00 0.00 O ATOM 326 CB ARG A 22 -47.205 -20.063 9.432 1.00 0.00 C ATOM 327 CG ARG A 22 -48.485 -20.901 9.435 1.00 0.00 C ATOM 328 CD ARG A 22 -49.341 -20.519 10.644 1.00 0.00 C ATOM 329 NE ARG A 22 -50.425 -21.526 10.823 1.00 0.00 N ATOM 330 CZ ARG A 22 -50.217 -22.584 11.557 1.00 0.00 C ATOM 331 NH1 ARG A 22 -48.997 -22.982 11.798 1.00 0.00 N ATOM 332 NH2 ARG A 22 -51.227 -23.247 12.049 1.00 0.00 N ATOM 0 H ARG A 22 -45.214 -18.688 8.804 1.00 0.00 H new ATOM 0 HA ARG A 22 -46.152 -21.323 8.037 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -46.571 -20.344 10.273 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -47.448 -19.008 9.555 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -49.043 -20.735 8.514 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -48.238 -21.962 9.471 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -48.723 -20.471 11.540 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -49.771 -19.528 10.500 1.00 0.00 H new ATOM 0 HE ARG A 22 -51.329 -21.388 10.372 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -48.206 -22.466 11.412 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -48.834 -23.809 12.372 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -52.181 -22.938 11.860 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -51.063 -24.074 12.623 1.00 0.00 H new ATOM 346 N VAL A 23 -47.190 -18.780 6.355 1.00 0.00 N ATOM 347 CA VAL A 23 -48.052 -18.381 5.208 1.00 0.00 C ATOM 348 C VAL A 23 -48.206 -19.564 4.251 1.00 0.00 C ATOM 349 O VAL A 23 -49.137 -20.339 4.350 1.00 0.00 O ATOM 350 CB VAL A 23 -47.405 -17.209 4.467 1.00 0.00 C ATOM 351 CG1 VAL A 23 -48.145 -16.965 3.151 1.00 0.00 C ATOM 352 CG2 VAL A 23 -47.482 -15.952 5.338 1.00 0.00 C ATOM 0 H VAL A 23 -46.477 -18.100 6.619 1.00 0.00 H new ATOM 0 HA VAL A 23 -49.033 -18.081 5.578 1.00 0.00 H new ATOM 0 HB VAL A 23 -46.361 -17.443 4.257 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -47.684 -16.130 2.624 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -48.090 -17.860 2.532 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -49.189 -16.731 3.359 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -47.021 -15.116 4.812 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -48.526 -15.718 5.548 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -46.954 -16.126 6.275 1.00 0.00 H new ATOM 362 N ASN A 24 -47.299 -19.708 3.325 1.00 0.00 N ATOM 363 CA ASN A 24 -47.391 -20.841 2.361 1.00 0.00 C ATOM 364 C ASN A 24 -48.703 -20.742 1.580 1.00 0.00 C ATOM 365 O ASN A 24 -49.662 -21.429 1.870 1.00 0.00 O ATOM 366 CB ASN A 24 -47.353 -22.165 3.126 1.00 0.00 C ATOM 367 CG ASN A 24 -45.994 -22.317 3.815 1.00 0.00 C ATOM 368 OD1 ASN A 24 -45.050 -21.632 3.476 1.00 0.00 O ATOM 369 ND2 ASN A 24 -45.856 -23.191 4.773 1.00 0.00 N ATOM 0 H ASN A 24 -46.498 -19.090 3.194 1.00 0.00 H new ATOM 0 HA ASN A 24 -46.551 -20.797 1.668 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -48.153 -22.193 3.866 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -47.521 -22.997 2.443 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -44.955 -23.300 5.238 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -46.649 -23.766 5.057 1.00 0.00 H new ATOM 376 N LEU A 25 -48.753 -19.893 0.590 1.00 0.00 N ATOM 377 CA LEU A 25 -50.004 -19.752 -0.208 1.00 0.00 C ATOM 378 C LEU A 25 -49.707 -20.038 -1.681 1.00 0.00 C ATOM 379 O LEU A 25 -49.724 -19.149 -2.510 1.00 0.00 O ATOM 380 CB LEU A 25 -50.543 -18.328 -0.065 1.00 0.00 C ATOM 381 CG LEU A 25 -51.561 -18.278 1.076 1.00 0.00 C ATOM 382 CD1 LEU A 25 -50.955 -18.916 2.328 1.00 0.00 C ATOM 383 CD2 LEU A 25 -51.925 -16.821 1.372 1.00 0.00 C ATOM 0 H LEU A 25 -47.982 -19.291 0.299 1.00 0.00 H new ATOM 0 HA LEU A 25 -50.747 -20.461 0.157 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -49.724 -17.636 0.134 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -51.010 -18.010 -0.997 1.00 0.00 H new ATOM 0 HG LEU A 25 -52.458 -18.825 0.787 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -51.680 -18.881 3.141 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -50.695 -19.954 2.118 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -50.058 -18.369 2.617 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -52.650 -16.785 2.185 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -51.028 -16.273 1.662 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -52.356 -16.365 0.481 1.00 0.00 H new ATOM 395 N LYS A 26 -49.439 -21.271 -2.016 1.00 0.00 N ATOM 396 CA LYS A 26 -49.146 -21.610 -3.435 1.00 0.00 C ATOM 397 C LYS A 26 -50.418 -21.484 -4.281 1.00 0.00 C ATOM 398 O LYS A 26 -50.374 -21.031 -5.407 1.00 0.00 O ATOM 399 CB LYS A 26 -48.623 -23.046 -3.516 1.00 0.00 C ATOM 400 CG LYS A 26 -47.242 -23.123 -2.862 1.00 0.00 C ATOM 401 CD LYS A 26 -47.333 -23.943 -1.574 1.00 0.00 C ATOM 402 CE LYS A 26 -46.074 -24.801 -1.426 1.00 0.00 C ATOM 403 NZ LYS A 26 -44.989 -23.990 -0.805 1.00 0.00 N ATOM 0 H LYS A 26 -49.411 -22.057 -1.367 1.00 0.00 H new ATOM 0 HA LYS A 26 -48.394 -20.920 -3.818 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -49.313 -23.725 -3.015 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -48.563 -23.364 -4.557 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -46.528 -23.580 -3.547 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -46.875 -22.120 -2.642 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -47.438 -23.280 -0.715 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -48.219 -24.578 -1.596 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -46.287 -25.675 -0.810 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -45.755 -25.168 -2.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -44.069 -24.294 -1.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -45.138 -22.984 -1.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -45.002 -24.124 0.226 1.00 0.00 H new ATOM 417 N PRO A 27 -51.578 -21.894 -3.733 1.00 0.00 N ATOM 418 CA PRO A 27 -52.853 -21.820 -4.458 1.00 0.00 C ATOM 419 C PRO A 27 -53.303 -20.372 -4.662 1.00 0.00 C ATOM 420 O PRO A 27 -53.953 -20.046 -5.636 1.00 0.00 O ATOM 421 CB PRO A 27 -53.832 -22.559 -3.546 1.00 0.00 C ATOM 422 CG PRO A 27 -53.236 -22.444 -2.184 1.00 0.00 C ATOM 423 CD PRO A 27 -51.746 -22.455 -2.378 1.00 0.00 C ATOM 0 HA PRO A 27 -52.784 -22.251 -5.457 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -54.825 -22.110 -3.584 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -53.942 -23.602 -3.844 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -53.558 -21.525 -1.694 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -53.552 -23.272 -1.549 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -51.238 -21.851 -1.626 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -51.338 -23.463 -2.306 1.00 0.00 H new ATOM 431 N CYS A 28 -52.955 -19.498 -3.757 1.00 0.00 N ATOM 432 CA CYS A 28 -53.358 -18.072 -3.910 1.00 0.00 C ATOM 433 C CYS A 28 -52.521 -17.438 -5.023 1.00 0.00 C ATOM 434 O CYS A 28 -53.033 -16.746 -5.884 1.00 0.00 O ATOM 435 CB CYS A 28 -53.115 -17.328 -2.595 1.00 0.00 C ATOM 436 SG CYS A 28 -54.673 -16.621 -2.004 1.00 0.00 S ATOM 0 H CYS A 28 -52.411 -19.709 -2.921 1.00 0.00 H new ATOM 0 HA CYS A 28 -54.416 -18.011 -4.164 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -52.707 -18.010 -1.849 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -52.378 -16.539 -2.742 1.00 0.00 H new ATOM 441 N GLU A 29 -51.238 -17.676 -5.018 1.00 0.00 N ATOM 442 CA GLU A 29 -50.369 -17.094 -6.079 1.00 0.00 C ATOM 443 C GLU A 29 -50.714 -17.739 -7.422 1.00 0.00 C ATOM 444 O GLU A 29 -50.661 -17.106 -8.459 1.00 0.00 O ATOM 445 CB GLU A 29 -48.901 -17.372 -5.747 1.00 0.00 C ATOM 446 CG GLU A 29 -48.015 -16.363 -6.480 1.00 0.00 C ATOM 447 CD GLU A 29 -46.544 -16.728 -6.271 1.00 0.00 C ATOM 448 OE1 GLU A 29 -46.288 -17.696 -5.574 1.00 0.00 O ATOM 449 OE2 GLU A 29 -45.699 -16.034 -6.812 1.00 0.00 O ATOM 0 H GLU A 29 -50.754 -18.248 -4.326 1.00 0.00 H new ATOM 0 HA GLU A 29 -50.532 -16.018 -6.134 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -48.740 -17.300 -4.671 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -48.636 -18.387 -6.042 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -48.252 -16.360 -7.544 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -48.207 -15.357 -6.108 1.00 0.00 H new ATOM 456 N GLN A 30 -51.070 -18.994 -7.411 1.00 0.00 N ATOM 457 CA GLN A 30 -51.423 -19.678 -8.685 1.00 0.00 C ATOM 458 C GLN A 30 -52.796 -19.196 -9.155 1.00 0.00 C ATOM 459 O GLN A 30 -53.154 -19.338 -10.307 1.00 0.00 O ATOM 460 CB GLN A 30 -51.462 -21.192 -8.459 1.00 0.00 C ATOM 461 CG GLN A 30 -50.054 -21.696 -8.136 1.00 0.00 C ATOM 462 CD GLN A 30 -50.130 -23.147 -7.658 1.00 0.00 C ATOM 463 OE1 GLN A 30 -51.185 -23.624 -7.291 1.00 0.00 O ATOM 464 NE2 GLN A 30 -49.046 -23.874 -7.645 1.00 0.00 N ATOM 0 H GLN A 30 -51.131 -19.575 -6.575 1.00 0.00 H new ATOM 0 HA GLN A 30 -50.676 -19.445 -9.443 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -52.142 -21.431 -7.641 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -51.844 -21.693 -9.348 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -49.419 -21.625 -9.019 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -49.600 -21.072 -7.367 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -48.160 -23.474 -7.953 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -49.085 -24.842 -7.327 1.00 0.00 H new ATOM 473 N HIS A 31 -53.566 -18.621 -8.271 1.00 0.00 N ATOM 474 CA HIS A 31 -54.912 -18.126 -8.667 1.00 0.00 C ATOM 475 C HIS A 31 -54.748 -16.794 -9.397 1.00 0.00 C ATOM 476 O HIS A 31 -55.405 -16.525 -10.383 1.00 0.00 O ATOM 477 CB HIS A 31 -55.771 -17.939 -7.407 1.00 0.00 C ATOM 478 CG HIS A 31 -56.540 -16.645 -7.488 1.00 0.00 C ATOM 479 ND1 HIS A 31 -57.661 -16.503 -8.289 1.00 0.00 N ATOM 480 CD2 HIS A 31 -56.361 -15.430 -6.873 1.00 0.00 C ATOM 481 CE1 HIS A 31 -58.111 -15.243 -8.138 1.00 0.00 C ATOM 482 NE2 HIS A 31 -57.355 -14.547 -7.284 1.00 0.00 N ATOM 0 H HIS A 31 -53.320 -18.473 -7.292 1.00 0.00 H new ATOM 0 HA HIS A 31 -55.403 -18.842 -9.326 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -56.462 -18.775 -7.302 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -55.135 -17.938 -6.522 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -58.071 -17.222 -8.885 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -55.569 -15.196 -6.177 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -58.977 -14.844 -8.645 1.00 0.00 H new ATOM 490 N ILE A 32 -53.868 -15.963 -8.917 1.00 0.00 N ATOM 491 CA ILE A 32 -53.645 -14.650 -9.576 1.00 0.00 C ATOM 492 C ILE A 32 -52.757 -14.850 -10.808 1.00 0.00 C ATOM 493 O ILE A 32 -53.008 -14.303 -11.863 1.00 0.00 O ATOM 494 CB ILE A 32 -52.967 -13.701 -8.579 1.00 0.00 C ATOM 495 CG1 ILE A 32 -53.937 -12.582 -8.200 1.00 0.00 C ATOM 496 CG2 ILE A 32 -51.707 -13.095 -9.197 1.00 0.00 C ATOM 497 CD1 ILE A 32 -53.909 -12.383 -6.684 1.00 0.00 C ATOM 0 H ILE A 32 -53.292 -16.138 -8.094 1.00 0.00 H new ATOM 0 HA ILE A 32 -54.595 -14.219 -9.891 1.00 0.00 H new ATOM 0 HB ILE A 32 -52.688 -14.264 -7.688 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -53.659 -11.657 -8.705 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -54.946 -12.833 -8.527 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -51.236 -12.424 -8.479 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -51.011 -13.892 -9.459 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -51.974 -12.537 -10.094 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -54.599 -11.586 -6.409 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -54.207 -13.308 -6.190 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -52.900 -12.114 -6.371 1.00 0.00 H new ATOM 509 N MET A 33 -51.719 -15.632 -10.679 1.00 0.00 N ATOM 510 CA MET A 33 -50.816 -15.867 -11.841 1.00 0.00 C ATOM 511 C MET A 33 -51.612 -16.505 -12.981 1.00 0.00 C ATOM 512 O MET A 33 -51.428 -16.180 -14.137 1.00 0.00 O ATOM 513 CB MET A 33 -49.681 -16.805 -11.423 1.00 0.00 C ATOM 514 CG MET A 33 -48.783 -16.096 -10.407 1.00 0.00 C ATOM 515 SD MET A 33 -47.463 -17.217 -9.882 1.00 0.00 S ATOM 516 CE MET A 33 -46.256 -16.754 -11.149 1.00 0.00 C ATOM 0 H MET A 33 -51.458 -16.117 -9.821 1.00 0.00 H new ATOM 0 HA MET A 33 -50.397 -14.918 -12.176 1.00 0.00 H new ATOM 0 HB2 MET A 33 -50.090 -17.717 -10.989 1.00 0.00 H new ATOM 0 HB3 MET A 33 -49.099 -17.100 -12.296 1.00 0.00 H new ATOM 0 HG2 MET A 33 -48.356 -15.196 -10.849 1.00 0.00 H new ATOM 0 HG3 MET A 33 -49.370 -15.780 -9.545 1.00 0.00 H new ATOM 0 HE1 MET A 33 -45.655 -17.624 -11.414 1.00 0.00 H new ATOM 0 HE2 MET A 33 -46.779 -16.391 -12.034 1.00 0.00 H new ATOM 0 HE3 MET A 33 -45.607 -15.968 -10.763 1.00 0.00 H new ATOM 526 N GLN A 34 -52.499 -17.409 -12.664 1.00 0.00 N ATOM 527 CA GLN A 34 -53.308 -18.063 -13.729 1.00 0.00 C ATOM 528 C GLN A 34 -54.246 -17.031 -14.357 1.00 0.00 C ATOM 529 O GLN A 34 -54.492 -17.044 -15.548 1.00 0.00 O ATOM 530 CB GLN A 34 -54.132 -19.199 -13.119 1.00 0.00 C ATOM 531 CG GLN A 34 -53.213 -20.380 -12.801 1.00 0.00 C ATOM 532 CD GLN A 34 -54.019 -21.483 -12.111 1.00 0.00 C ATOM 533 OE1 GLN A 34 -55.148 -21.270 -11.719 1.00 0.00 O ATOM 534 NE2 GLN A 34 -53.483 -22.661 -11.948 1.00 0.00 N ATOM 0 H GLN A 34 -52.697 -17.722 -11.714 1.00 0.00 H new ATOM 0 HA GLN A 34 -52.646 -18.468 -14.495 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -54.629 -18.856 -12.211 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -54.914 -19.509 -13.812 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -52.764 -20.762 -13.718 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -52.396 -20.055 -12.157 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -52.534 -22.840 -12.277 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -54.013 -23.403 -11.491 1.00 0.00 H new ATOM 543 N ARG A 35 -54.772 -16.135 -13.567 1.00 0.00 N ATOM 544 CA ARG A 35 -55.692 -15.102 -14.119 1.00 0.00 C ATOM 545 C ARG A 35 -54.911 -14.167 -15.043 1.00 0.00 C ATOM 546 O ARG A 35 -55.173 -14.087 -16.227 1.00 0.00 O ATOM 547 CB ARG A 35 -56.299 -14.295 -12.970 1.00 0.00 C ATOM 548 CG ARG A 35 -57.354 -13.334 -13.524 1.00 0.00 C ATOM 549 CD ARG A 35 -58.663 -14.092 -13.753 1.00 0.00 C ATOM 550 NE ARG A 35 -59.727 -13.134 -14.165 1.00 0.00 N ATOM 551 CZ ARG A 35 -60.523 -13.429 -15.156 1.00 0.00 C ATOM 552 NH1 ARG A 35 -60.042 -13.975 -16.240 1.00 0.00 N ATOM 553 NH2 ARG A 35 -61.801 -13.181 -15.063 1.00 0.00 N ATOM 0 H ARG A 35 -54.604 -16.074 -12.563 1.00 0.00 H new ATOM 0 HA ARG A 35 -56.489 -15.587 -14.683 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -56.750 -14.966 -12.239 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -55.519 -13.737 -12.452 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -57.515 -12.512 -12.827 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -57.007 -12.895 -14.459 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -58.526 -14.852 -14.522 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -58.959 -14.611 -12.841 1.00 0.00 H new ATOM 0 HE ARG A 35 -59.833 -12.247 -13.672 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -59.044 -14.171 -16.312 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -60.665 -14.205 -17.014 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -62.178 -12.756 -14.216 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -62.423 -13.412 -15.838 1.00 0.00 H new ATOM 567 N ILE A 36 -53.950 -13.459 -14.514 1.00 0.00 N ATOM 568 CA ILE A 36 -53.153 -12.532 -15.365 1.00 0.00 C ATOM 569 C ILE A 36 -52.719 -13.259 -16.637 1.00 0.00 C ATOM 570 O ILE A 36 -52.739 -12.707 -17.719 1.00 0.00 O ATOM 571 CB ILE A 36 -51.916 -12.068 -14.594 1.00 0.00 C ATOM 572 CG1 ILE A 36 -51.064 -13.281 -14.217 1.00 0.00 C ATOM 573 CG2 ILE A 36 -52.351 -11.336 -13.323 1.00 0.00 C ATOM 574 CD1 ILE A 36 -49.875 -12.827 -13.366 1.00 0.00 C ATOM 0 H ILE A 36 -53.683 -13.483 -13.530 1.00 0.00 H new ATOM 0 HA ILE A 36 -53.760 -11.666 -15.630 1.00 0.00 H new ATOM 0 HB ILE A 36 -51.331 -11.394 -15.220 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -51.665 -14.003 -13.665 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -50.710 -13.783 -15.117 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -51.469 -11.005 -12.774 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -52.957 -10.471 -13.591 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -52.937 -12.010 -12.698 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -49.268 -13.692 -13.098 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -49.269 -12.121 -13.934 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -50.240 -12.344 -12.459 1.00 0.00 H new ATOM 586 N MET A 37 -52.330 -14.496 -16.514 1.00 0.00 N ATOM 587 CA MET A 37 -51.897 -15.265 -17.714 1.00 0.00 C ATOM 588 C MET A 37 -53.126 -15.673 -18.524 1.00 0.00 C ATOM 589 O MET A 37 -53.196 -15.459 -19.717 1.00 0.00 O ATOM 590 CB MET A 37 -51.136 -16.517 -17.272 1.00 0.00 C ATOM 591 CG MET A 37 -49.751 -16.118 -16.758 1.00 0.00 C ATOM 592 SD MET A 37 -48.740 -17.601 -16.534 1.00 0.00 S ATOM 593 CE MET A 37 -47.272 -16.777 -15.872 1.00 0.00 C ATOM 0 H MET A 37 -52.293 -15.009 -15.633 1.00 0.00 H new ATOM 0 HA MET A 37 -51.245 -14.645 -18.329 1.00 0.00 H new ATOM 0 HB2 MET A 37 -51.690 -17.035 -16.490 1.00 0.00 H new ATOM 0 HB3 MET A 37 -51.040 -17.211 -18.107 1.00 0.00 H new ATOM 0 HG2 MET A 37 -49.271 -15.441 -17.464 1.00 0.00 H new ATOM 0 HG3 MET A 37 -49.843 -15.581 -15.814 1.00 0.00 H new ATOM 0 HE1 MET A 37 -46.412 -17.442 -15.957 1.00 0.00 H new ATOM 0 HE2 MET A 37 -47.082 -15.864 -16.436 1.00 0.00 H new ATOM 0 HE3 MET A 37 -47.436 -16.528 -14.824 1.00 0.00 H new ATOM 603 N GLY A 38 -54.096 -16.256 -17.880 1.00 0.00 N ATOM 604 CA GLY A 38 -55.330 -16.681 -18.601 1.00 0.00 C ATOM 605 C GLY A 38 -54.952 -17.274 -19.959 1.00 0.00 C ATOM 606 O GLY A 38 -53.966 -17.971 -20.091 1.00 0.00 O ATOM 0 H GLY A 38 -54.089 -16.458 -16.880 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -55.873 -17.418 -18.010 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -55.995 -15.829 -18.738 1.00 0.00 H new ATOM 865 N ASP A 55 -61.503 -19.885 -6.791 1.00 0.00 N ATOM 866 CA ASP A 55 -62.280 -19.960 -5.522 1.00 0.00 C ATOM 867 C ASP A 55 -61.316 -20.093 -4.341 1.00 0.00 C ATOM 868 O ASP A 55 -61.598 -19.651 -3.245 1.00 0.00 O ATOM 869 CB ASP A 55 -63.208 -21.176 -5.563 1.00 0.00 C ATOM 870 CG ASP A 55 -64.304 -20.945 -6.605 1.00 0.00 C ATOM 871 OD1 ASP A 55 -64.430 -19.823 -7.065 1.00 0.00 O ATOM 872 OD2 ASP A 55 -65.000 -21.896 -6.924 1.00 0.00 O ATOM 0 HA ASP A 55 -62.874 -19.054 -5.406 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -62.640 -22.073 -5.810 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -63.653 -21.341 -4.582 1.00 0.00 H new ATOM 877 N GLN A 56 -60.181 -20.698 -4.556 1.00 0.00 N ATOM 878 CA GLN A 56 -59.199 -20.857 -3.447 1.00 0.00 C ATOM 879 C GLN A 56 -58.775 -19.477 -2.941 1.00 0.00 C ATOM 880 O GLN A 56 -58.641 -19.254 -1.755 1.00 0.00 O ATOM 881 CB GLN A 56 -57.970 -21.611 -3.959 1.00 0.00 C ATOM 882 CG GLN A 56 -58.358 -23.050 -4.304 1.00 0.00 C ATOM 883 CD GLN A 56 -57.129 -23.800 -4.820 1.00 0.00 C ATOM 884 OE1 GLN A 56 -56.116 -23.198 -5.118 1.00 0.00 O ATOM 885 NE2 GLN A 56 -57.175 -25.099 -4.941 1.00 0.00 N ATOM 0 H GLN A 56 -59.891 -21.089 -5.452 1.00 0.00 H new ATOM 0 HA GLN A 56 -59.657 -21.418 -2.633 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -57.565 -21.112 -4.839 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -57.186 -21.607 -3.201 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -58.759 -23.551 -3.423 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -59.144 -23.055 -5.059 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -58.025 -25.605 -4.691 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -56.361 -25.608 -5.285 1.00 0.00 H new ATOM 894 N GLN A 57 -58.564 -18.549 -3.833 1.00 0.00 N ATOM 895 CA GLN A 57 -58.149 -17.184 -3.407 1.00 0.00 C ATOM 896 C GLN A 57 -59.036 -16.717 -2.251 1.00 0.00 C ATOM 897 O GLN A 57 -58.582 -16.066 -1.331 1.00 0.00 O ATOM 898 CB GLN A 57 -58.296 -16.217 -4.584 1.00 0.00 C ATOM 899 CG GLN A 57 -57.621 -14.888 -4.241 1.00 0.00 C ATOM 900 CD GLN A 57 -58.415 -13.739 -4.865 1.00 0.00 C ATOM 901 OE1 GLN A 57 -59.626 -13.701 -4.774 1.00 0.00 O ATOM 902 NE2 GLN A 57 -57.779 -12.792 -5.501 1.00 0.00 N ATOM 0 H GLN A 57 -58.661 -18.678 -4.840 1.00 0.00 H new ATOM 0 HA GLN A 57 -57.109 -17.206 -3.081 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -57.845 -16.646 -5.479 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -59.351 -16.055 -4.805 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -57.568 -14.763 -3.160 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -56.597 -14.881 -4.613 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -56.762 -12.823 -5.578 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -58.299 -12.021 -5.921 1.00 0.00 H new ATOM 911 N GLN A 58 -60.299 -17.043 -2.290 1.00 0.00 N ATOM 912 CA GLN A 58 -61.214 -16.617 -1.194 1.00 0.00 C ATOM 913 C GLN A 58 -60.781 -17.271 0.120 1.00 0.00 C ATOM 914 O GLN A 58 -60.947 -16.711 1.185 1.00 0.00 O ATOM 915 CB GLN A 58 -62.644 -17.047 -1.529 1.00 0.00 C ATOM 916 CG GLN A 58 -63.170 -16.209 -2.695 1.00 0.00 C ATOM 917 CD GLN A 58 -64.607 -16.623 -3.013 1.00 0.00 C ATOM 918 OE1 GLN A 58 -65.075 -17.645 -2.551 1.00 0.00 O ATOM 919 NE2 GLN A 58 -65.336 -15.866 -3.789 1.00 0.00 N ATOM 0 H GLN A 58 -60.737 -17.586 -3.034 1.00 0.00 H new ATOM 0 HA GLN A 58 -61.173 -15.533 -1.089 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -62.665 -18.105 -1.790 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -63.286 -16.920 -0.658 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -63.133 -15.150 -2.441 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -62.538 -16.349 -3.572 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -64.945 -15.008 -4.178 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -66.296 -16.133 -4.006 1.00 0.00 H new ATOM 928 N ARG A 59 -60.231 -18.452 0.054 1.00 0.00 N ATOM 929 CA ARG A 59 -59.791 -19.140 1.300 1.00 0.00 C ATOM 930 C ARG A 59 -58.700 -18.317 1.984 1.00 0.00 C ATOM 931 O ARG A 59 -58.675 -18.184 3.193 1.00 0.00 O ATOM 932 CB ARG A 59 -59.245 -20.526 0.952 1.00 0.00 C ATOM 933 CG ARG A 59 -60.348 -21.359 0.298 1.00 0.00 C ATOM 934 CD ARG A 59 -61.435 -21.667 1.329 1.00 0.00 C ATOM 935 NE ARG A 59 -60.861 -22.501 2.421 1.00 0.00 N ATOM 936 CZ ARG A 59 -61.649 -23.210 3.183 1.00 0.00 C ATOM 937 NH1 ARG A 59 -62.600 -22.625 3.859 1.00 0.00 N ATOM 938 NH2 ARG A 59 -61.485 -24.501 3.270 1.00 0.00 N ATOM 0 H ARG A 59 -60.067 -18.970 -0.809 1.00 0.00 H new ATOM 0 HA ARG A 59 -60.641 -19.243 1.975 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -58.395 -20.434 0.276 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -58.885 -21.023 1.853 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -60.775 -20.817 -0.546 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -59.933 -22.286 -0.096 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -61.837 -20.740 1.738 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -62.264 -22.191 0.854 1.00 0.00 H new ATOM 0 HE ARG A 59 -59.853 -22.518 2.574 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -62.727 -21.615 3.791 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -63.216 -23.178 4.455 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -60.741 -24.957 2.742 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -62.101 -25.054 3.866 1.00 0.00 H new ATOM 952 N CYS A 60 -57.799 -17.763 1.224 1.00 0.00 N ATOM 953 CA CYS A 60 -56.712 -16.949 1.835 1.00 0.00 C ATOM 954 C CYS A 60 -57.325 -15.900 2.762 1.00 0.00 C ATOM 955 O CYS A 60 -57.293 -16.027 3.970 1.00 0.00 O ATOM 956 CB CYS A 60 -55.915 -16.249 0.730 1.00 0.00 C ATOM 957 SG CYS A 60 -54.953 -17.475 -0.194 1.00 0.00 S ATOM 0 H CYS A 60 -57.768 -17.838 0.207 1.00 0.00 H new ATOM 0 HA CYS A 60 -56.048 -17.598 2.406 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -56.592 -15.721 0.058 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -55.250 -15.502 1.164 1.00 0.00 H new ATOM 962 N CYS A 61 -57.886 -14.866 2.204 1.00 0.00 N ATOM 963 CA CYS A 61 -58.503 -13.808 3.051 1.00 0.00 C ATOM 964 C CYS A 61 -59.388 -14.465 4.110 1.00 0.00 C ATOM 965 O CYS A 61 -59.488 -13.998 5.227 1.00 0.00 O ATOM 966 CB CYS A 61 -59.349 -12.875 2.180 1.00 0.00 C ATOM 967 SG CYS A 61 -58.282 -11.638 1.396 1.00 0.00 S ATOM 0 H CYS A 61 -57.944 -14.707 1.198 1.00 0.00 H new ATOM 0 HA CYS A 61 -57.719 -13.227 3.537 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -59.875 -13.450 1.419 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -60.108 -12.382 2.788 1.00 0.00 H new ATOM 972 N ASP A 62 -60.031 -15.548 3.770 1.00 0.00 N ATOM 973 CA ASP A 62 -60.906 -16.235 4.761 1.00 0.00 C ATOM 974 C ASP A 62 -60.076 -16.615 5.986 1.00 0.00 C ATOM 975 O ASP A 62 -60.527 -16.515 7.109 1.00 0.00 O ATOM 976 CB ASP A 62 -61.504 -17.495 4.133 1.00 0.00 C ATOM 977 CG ASP A 62 -62.585 -17.101 3.125 1.00 0.00 C ATOM 978 OD1 ASP A 62 -62.962 -15.940 3.115 1.00 0.00 O ATOM 979 OD2 ASP A 62 -63.017 -17.964 2.380 1.00 0.00 O ATOM 0 H ASP A 62 -59.988 -15.986 2.850 1.00 0.00 H new ATOM 0 HA ASP A 62 -61.714 -15.567 5.060 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -60.723 -18.072 3.638 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -61.930 -18.133 4.908 1.00 0.00 H new ATOM 984 N GLU A 63 -58.864 -17.042 5.778 1.00 0.00 N ATOM 985 CA GLU A 63 -58.002 -17.420 6.932 1.00 0.00 C ATOM 986 C GLU A 63 -57.641 -16.156 7.712 1.00 0.00 C ATOM 987 O GLU A 63 -57.709 -16.121 8.924 1.00 0.00 O ATOM 988 CB GLU A 63 -56.727 -18.093 6.423 1.00 0.00 C ATOM 989 CG GLU A 63 -57.080 -19.445 5.798 1.00 0.00 C ATOM 990 CD GLU A 63 -55.796 -20.165 5.382 1.00 0.00 C ATOM 991 OE1 GLU A 63 -54.742 -19.557 5.475 1.00 0.00 O ATOM 992 OE2 GLU A 63 -55.888 -21.313 4.978 1.00 0.00 O ATOM 0 H GLU A 63 -58.432 -17.146 4.860 1.00 0.00 H new ATOM 0 HA GLU A 63 -58.535 -18.115 7.580 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -56.236 -17.457 5.687 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -56.023 -18.232 7.244 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -57.636 -20.053 6.511 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -57.725 -19.300 4.932 1.00 0.00 H new ATOM 999 N LEU A 64 -57.266 -15.114 7.023 1.00 0.00 N ATOM 1000 CA LEU A 64 -56.910 -13.850 7.724 1.00 0.00 C ATOM 1001 C LEU A 64 -58.144 -13.319 8.455 1.00 0.00 C ATOM 1002 O LEU A 64 -58.057 -12.422 9.269 1.00 0.00 O ATOM 1003 CB LEU A 64 -56.435 -12.814 6.702 1.00 0.00 C ATOM 1004 CG LEU A 64 -55.038 -13.193 6.205 1.00 0.00 C ATOM 1005 CD1 LEU A 64 -55.156 -14.275 5.130 1.00 0.00 C ATOM 1006 CD2 LEU A 64 -54.355 -11.958 5.614 1.00 0.00 C ATOM 0 H LEU A 64 -57.191 -15.084 6.006 1.00 0.00 H new ATOM 0 HA LEU A 64 -56.111 -14.040 8.441 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -57.131 -12.768 5.864 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -56.415 -11.823 7.155 1.00 0.00 H new ATOM 0 HG LEU A 64 -54.446 -13.572 7.038 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -54.161 -14.546 4.775 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -55.643 -15.155 5.551 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -55.748 -13.897 4.297 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -53.360 -12.227 5.260 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -54.947 -11.579 4.781 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -54.271 -11.187 6.380 1.00 0.00 H new ATOM 1018 N ASN A 65 -59.295 -13.870 8.173 1.00 0.00 N ATOM 1019 CA ASN A 65 -60.532 -13.401 8.858 1.00 0.00 C ATOM 1020 C ASN A 65 -60.551 -13.937 10.290 1.00 0.00 C ATOM 1021 O ASN A 65 -61.148 -13.354 11.173 1.00 0.00 O ATOM 1022 CB ASN A 65 -61.759 -13.917 8.104 1.00 0.00 C ATOM 1023 CG ASN A 65 -63.022 -13.280 8.688 1.00 0.00 C ATOM 1024 OD1 ASN A 65 -63.296 -12.120 8.452 1.00 0.00 O ATOM 1025 ND2 ASN A 65 -63.808 -13.994 9.446 1.00 0.00 N ATOM 0 H ASN A 65 -59.431 -14.623 7.499 1.00 0.00 H new ATOM 0 HA ASN A 65 -60.549 -12.311 8.876 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -61.675 -13.678 7.044 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -61.817 -15.003 8.182 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -64.652 -13.578 9.840 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -63.579 -14.968 9.644 1.00 0.00 H new ATOM 1032 N GLU A 66 -59.901 -15.045 10.529 1.00 0.00 N ATOM 1033 CA GLU A 66 -59.883 -15.617 11.905 1.00 0.00 C ATOM 1034 C GLU A 66 -58.542 -15.303 12.572 1.00 0.00 C ATOM 1035 O GLU A 66 -58.465 -15.109 13.769 1.00 0.00 O ATOM 1036 CB GLU A 66 -60.070 -17.133 11.829 1.00 0.00 C ATOM 1037 CG GLU A 66 -59.992 -17.727 13.236 1.00 0.00 C ATOM 1038 CD GLU A 66 -59.991 -19.254 13.146 1.00 0.00 C ATOM 1039 OE1 GLU A 66 -60.015 -19.763 12.037 1.00 0.00 O ATOM 1040 OE2 GLU A 66 -59.967 -19.890 14.187 1.00 0.00 O ATOM 0 H GLU A 66 -59.382 -15.578 9.831 1.00 0.00 H new ATOM 0 HA GLU A 66 -60.691 -15.179 12.490 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -61.033 -17.369 11.376 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -59.302 -17.574 11.193 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -59.089 -17.381 13.739 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -60.839 -17.388 13.833 1.00 0.00 H new ATOM 1093 N THR A 70 -53.032 -11.357 12.565 1.00 0.00 N ATOM 1094 CA THR A 70 -52.348 -10.860 11.339 1.00 0.00 C ATOM 1095 C THR A 70 -52.422 -9.332 11.298 1.00 0.00 C ATOM 1096 O THR A 70 -53.432 -8.740 11.625 1.00 0.00 O ATOM 1097 CB THR A 70 -53.036 -11.438 10.101 1.00 0.00 C ATOM 1098 OG1 THR A 70 -54.359 -10.925 10.013 1.00 0.00 O ATOM 1099 CG2 THR A 70 -53.085 -12.964 10.208 1.00 0.00 C ATOM 0 HA THR A 70 -51.304 -11.173 11.353 1.00 0.00 H new ATOM 0 HB THR A 70 -52.476 -11.156 9.209 1.00 0.00 H new ATOM 0 HG1 THR A 70 -54.736 -10.836 10.913 1.00 0.00 H new ATOM 0 HG21 THR A 70 -53.575 -13.375 9.326 1.00 0.00 H new ATOM 0 HG22 THR A 70 -52.070 -13.357 10.275 1.00 0.00 H new ATOM 0 HG23 THR A 70 -53.644 -13.248 11.099 1.00 0.00 H new ATOM 1107 N GLN A 71 -51.360 -8.689 10.896 1.00 0.00 N ATOM 1108 CA GLN A 71 -51.368 -7.200 10.834 1.00 0.00 C ATOM 1109 C GLN A 71 -50.367 -6.730 9.775 1.00 0.00 C ATOM 1110 O GLN A 71 -50.202 -7.353 8.745 1.00 0.00 O ATOM 1111 CB GLN A 71 -50.976 -6.631 12.198 1.00 0.00 C ATOM 1112 CG GLN A 71 -51.786 -7.330 13.293 1.00 0.00 C ATOM 1113 CD GLN A 71 -51.572 -6.609 14.625 1.00 0.00 C ATOM 1114 OE1 GLN A 71 -50.488 -6.138 14.908 1.00 0.00 O ATOM 1115 NE2 GLN A 71 -52.568 -6.502 15.462 1.00 0.00 N ATOM 0 H GLN A 71 -50.487 -9.131 10.608 1.00 0.00 H new ATOM 0 HA GLN A 71 -52.366 -6.851 10.570 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -49.910 -6.775 12.371 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -51.161 -5.557 12.223 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -52.845 -7.330 13.033 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -51.479 -8.372 13.378 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -53.478 -6.897 15.225 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -52.436 -6.023 16.353 1.00 0.00 H new ATOM 1124 N GLY A 72 -49.696 -5.636 10.019 1.00 0.00 N ATOM 1125 CA GLY A 72 -48.708 -5.130 9.026 1.00 0.00 C ATOM 1126 C GLY A 72 -47.893 -6.301 8.473 1.00 0.00 C ATOM 1127 O GLY A 72 -47.491 -6.305 7.327 1.00 0.00 O ATOM 0 H GLY A 72 -49.790 -5.072 10.863 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -49.223 -4.616 8.214 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -48.046 -4.402 9.495 1.00 0.00 H new ATOM 1131 N CYS A 73 -47.649 -7.299 9.280 1.00 0.00 N ATOM 1132 CA CYS A 73 -46.861 -8.470 8.798 1.00 0.00 C ATOM 1133 C CYS A 73 -47.417 -8.933 7.450 1.00 0.00 C ATOM 1134 O CYS A 73 -46.728 -9.551 6.661 1.00 0.00 O ATOM 1135 CB CYS A 73 -46.966 -9.608 9.814 1.00 0.00 C ATOM 1136 SG CYS A 73 -46.178 -9.106 11.365 1.00 0.00 S ATOM 0 H CYS A 73 -47.960 -7.354 10.250 1.00 0.00 H new ATOM 0 HA CYS A 73 -45.815 -8.185 8.682 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -48.012 -9.858 9.989 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -46.485 -10.505 9.423 1.00 0.00 H new ATOM 1141 N MET A 74 -48.659 -8.638 7.177 1.00 0.00 N ATOM 1142 CA MET A 74 -49.255 -9.061 5.879 1.00 0.00 C ATOM 1143 C MET A 74 -48.270 -8.756 4.750 1.00 0.00 C ATOM 1144 O MET A 74 -48.020 -9.579 3.892 1.00 0.00 O ATOM 1145 CB MET A 74 -50.558 -8.296 5.642 1.00 0.00 C ATOM 1146 CG MET A 74 -51.274 -8.874 4.420 1.00 0.00 C ATOM 1147 SD MET A 74 -52.814 -7.968 4.137 1.00 0.00 S ATOM 1148 CE MET A 74 -53.668 -8.496 5.644 1.00 0.00 C ATOM 0 H MET A 74 -49.285 -8.123 7.796 1.00 0.00 H new ATOM 0 HA MET A 74 -49.464 -10.130 5.903 1.00 0.00 H new ATOM 0 HB2 MET A 74 -51.199 -8.368 6.520 1.00 0.00 H new ATOM 0 HB3 MET A 74 -50.348 -7.238 5.487 1.00 0.00 H new ATOM 0 HG2 MET A 74 -50.632 -8.803 3.542 1.00 0.00 H new ATOM 0 HG3 MET A 74 -51.486 -9.932 4.576 1.00 0.00 H new ATOM 0 HE1 MET A 74 -54.674 -8.832 5.393 1.00 0.00 H new ATOM 0 HE2 MET A 74 -53.117 -9.315 6.107 1.00 0.00 H new ATOM 0 HE3 MET A 74 -53.728 -7.660 6.340 1.00 0.00 H new ATOM 1158 N CYS A 75 -47.705 -7.579 4.745 1.00 0.00 N ATOM 1159 CA CYS A 75 -46.734 -7.226 3.673 1.00 0.00 C ATOM 1160 C CYS A 75 -45.713 -8.356 3.529 1.00 0.00 C ATOM 1161 O CYS A 75 -45.430 -8.816 2.441 1.00 0.00 O ATOM 1162 CB CYS A 75 -46.014 -5.927 4.044 1.00 0.00 C ATOM 1163 SG CYS A 75 -47.129 -4.525 3.788 1.00 0.00 S ATOM 0 H CYS A 75 -47.874 -6.848 5.436 1.00 0.00 H new ATOM 0 HA CYS A 75 -47.262 -7.088 2.729 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -45.690 -5.963 5.084 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -45.118 -5.809 3.435 1.00 0.00 H new ATOM 0 HG CYS A 75 -46.519 -3.422 4.105 1.00 0.00 H new ATOM 1168 N GLU A 76 -45.162 -8.811 4.622 1.00 0.00 N ATOM 1169 CA GLU A 76 -44.165 -9.915 4.548 1.00 0.00 C ATOM 1170 C GLU A 76 -44.848 -11.169 4.000 1.00 0.00 C ATOM 1171 O GLU A 76 -44.210 -12.052 3.458 1.00 0.00 O ATOM 1172 CB GLU A 76 -43.616 -10.203 5.946 1.00 0.00 C ATOM 1173 CG GLU A 76 -42.838 -8.985 6.449 1.00 0.00 C ATOM 1174 CD GLU A 76 -41.675 -8.695 5.498 1.00 0.00 C ATOM 1175 OE1 GLU A 76 -41.312 -9.586 4.748 1.00 0.00 O ATOM 1176 OE2 GLU A 76 -41.168 -7.586 5.536 1.00 0.00 O ATOM 0 H GLU A 76 -45.359 -8.466 5.561 1.00 0.00 H new ATOM 0 HA GLU A 76 -43.344 -9.626 3.892 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -44.434 -10.433 6.629 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -42.966 -11.078 5.920 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -43.497 -8.119 6.510 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -42.462 -9.170 7.455 1.00 0.00 H new ATOM 1183 N ALA A 77 -46.144 -11.250 4.127 1.00 0.00 N ATOM 1184 CA ALA A 77 -46.871 -12.441 3.606 1.00 0.00 C ATOM 1185 C ALA A 77 -46.977 -12.335 2.085 1.00 0.00 C ATOM 1186 O ALA A 77 -46.601 -13.236 1.362 1.00 0.00 O ATOM 1187 CB ALA A 77 -48.273 -12.492 4.215 1.00 0.00 C ATOM 0 H ALA A 77 -46.731 -10.542 4.569 1.00 0.00 H new ATOM 0 HA ALA A 77 -46.330 -13.349 3.874 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -48.804 -13.364 3.833 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -48.196 -12.561 5.300 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -48.819 -11.588 3.946 1.00 0.00 H new ATOM 1193 N LEU A 78 -47.477 -11.235 1.593 1.00 0.00 N ATOM 1194 CA LEU A 78 -47.597 -11.068 0.119 1.00 0.00 C ATOM 1195 C LEU A 78 -46.203 -11.149 -0.503 1.00 0.00 C ATOM 1196 O LEU A 78 -46.001 -11.781 -1.521 1.00 0.00 O ATOM 1197 CB LEU A 78 -48.218 -9.704 -0.191 1.00 0.00 C ATOM 1198 CG LEU A 78 -48.489 -9.595 -1.694 1.00 0.00 C ATOM 1199 CD1 LEU A 78 -49.200 -10.862 -2.176 1.00 0.00 C ATOM 1200 CD2 LEU A 78 -49.374 -8.378 -1.965 1.00 0.00 C ATOM 0 H LEU A 78 -47.807 -10.446 2.148 1.00 0.00 H new ATOM 0 HA LEU A 78 -48.231 -11.853 -0.293 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -49.146 -9.580 0.366 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -47.547 -8.906 0.127 1.00 0.00 H new ATOM 0 HG LEU A 78 -47.545 -9.483 -2.227 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -49.394 -10.786 -3.246 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -48.569 -11.729 -1.982 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -50.144 -10.974 -1.643 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -49.567 -8.300 -3.035 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -50.319 -8.489 -1.433 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -48.868 -7.476 -1.621 1.00 0.00 H new ATOM 1212 N GLN A 79 -45.237 -10.517 0.106 1.00 0.00 N ATOM 1213 CA GLN A 79 -43.854 -10.562 -0.443 1.00 0.00 C ATOM 1214 C GLN A 79 -43.408 -12.019 -0.565 1.00 0.00 C ATOM 1215 O GLN A 79 -42.785 -12.411 -1.532 1.00 0.00 O ATOM 1216 CB GLN A 79 -42.906 -9.814 0.496 1.00 0.00 C ATOM 1217 CG GLN A 79 -41.484 -9.866 -0.065 1.00 0.00 C ATOM 1218 CD GLN A 79 -40.498 -9.373 0.996 1.00 0.00 C ATOM 1219 OE1 GLN A 79 -40.297 -10.023 2.003 1.00 0.00 O ATOM 1220 NE2 GLN A 79 -39.871 -8.243 0.813 1.00 0.00 N ATOM 0 H GLN A 79 -45.347 -9.971 0.961 1.00 0.00 H new ATOM 0 HA GLN A 79 -43.835 -10.090 -1.425 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -43.228 -8.778 0.605 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -42.933 -10.262 1.489 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -41.236 -10.885 -0.362 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -41.412 -9.247 -0.959 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -40.040 -7.697 -0.032 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -39.212 -7.906 1.515 1.00 0.00 H new ATOM 1229 N GLN A 80 -43.728 -12.826 0.408 1.00 0.00 N ATOM 1230 CA GLN A 80 -43.327 -14.259 0.348 1.00 0.00 C ATOM 1231 C GLN A 80 -43.930 -14.900 -0.902 1.00 0.00 C ATOM 1232 O GLN A 80 -43.235 -15.494 -1.704 1.00 0.00 O ATOM 1233 CB GLN A 80 -43.841 -14.986 1.592 1.00 0.00 C ATOM 1234 CG GLN A 80 -42.851 -14.791 2.743 1.00 0.00 C ATOM 1235 CD GLN A 80 -43.208 -15.739 3.889 1.00 0.00 C ATOM 1236 OE1 GLN A 80 -44.218 -16.414 3.842 1.00 0.00 O ATOM 1237 NE2 GLN A 80 -42.418 -15.820 4.924 1.00 0.00 N ATOM 0 H GLN A 80 -44.250 -12.555 1.242 1.00 0.00 H new ATOM 0 HA GLN A 80 -42.240 -14.333 0.309 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -44.821 -14.601 1.872 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -43.964 -16.048 1.380 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -41.835 -14.985 2.400 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -42.879 -13.758 3.089 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -41.570 -15.254 4.964 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -42.648 -16.449 5.693 1.00 0.00 H new ATOM 1246 N ILE A 81 -45.217 -14.783 -1.079 1.00 0.00 N ATOM 1247 CA ILE A 81 -45.860 -15.384 -2.280 1.00 0.00 C ATOM 1248 C ILE A 81 -45.026 -15.048 -3.519 1.00 0.00 C ATOM 1249 O ILE A 81 -44.521 -15.923 -4.200 1.00 0.00 O ATOM 1250 CB ILE A 81 -47.271 -14.812 -2.441 1.00 0.00 C ATOM 1251 CG1 ILE A 81 -48.130 -15.228 -1.246 1.00 0.00 C ATOM 1252 CG2 ILE A 81 -47.896 -15.350 -3.729 1.00 0.00 C ATOM 1253 CD1 ILE A 81 -49.579 -14.798 -1.485 1.00 0.00 C ATOM 0 H ILE A 81 -45.851 -14.297 -0.444 1.00 0.00 H new ATOM 0 HA ILE A 81 -45.920 -16.466 -2.163 1.00 0.00 H new ATOM 0 HB ILE A 81 -47.218 -13.724 -2.489 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -48.078 -16.308 -1.106 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -47.749 -14.769 -0.333 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -48.901 -14.943 -3.844 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -47.285 -15.054 -4.581 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -47.949 -16.438 -3.681 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -50.192 -15.094 -0.634 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -49.622 -13.715 -1.604 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -49.957 -15.278 -2.388 1.00 0.00 H new ATOM 1265 N MET A 82 -44.872 -13.787 -3.817 1.00 0.00 N ATOM 1266 CA MET A 82 -44.068 -13.397 -5.007 1.00 0.00 C ATOM 1267 C MET A 82 -42.759 -14.182 -5.012 1.00 0.00 C ATOM 1268 O MET A 82 -42.402 -14.810 -5.988 1.00 0.00 O ATOM 1269 CB MET A 82 -43.766 -11.898 -4.950 1.00 0.00 C ATOM 1270 CG MET A 82 -45.077 -11.111 -5.003 1.00 0.00 C ATOM 1271 SD MET A 82 -44.717 -9.352 -5.230 1.00 0.00 S ATOM 1272 CE MET A 82 -44.119 -9.460 -6.934 1.00 0.00 C ATOM 0 H MET A 82 -45.269 -13.011 -3.287 1.00 0.00 H new ATOM 0 HA MET A 82 -44.629 -13.618 -5.915 1.00 0.00 H new ATOM 0 HB2 MET A 82 -43.223 -11.660 -4.035 1.00 0.00 H new ATOM 0 HB3 MET A 82 -43.125 -11.613 -5.784 1.00 0.00 H new ATOM 0 HG2 MET A 82 -45.699 -11.474 -5.821 1.00 0.00 H new ATOM 0 HG3 MET A 82 -45.641 -11.262 -4.083 1.00 0.00 H new ATOM 0 HE1 MET A 82 -44.488 -8.607 -7.504 1.00 0.00 H new ATOM 0 HE2 MET A 82 -43.029 -9.454 -6.938 1.00 0.00 H new ATOM 0 HE3 MET A 82 -44.479 -10.383 -7.388 1.00 0.00 H new ATOM 1282 N GLU A 83 -42.043 -14.162 -3.924 1.00 0.00 N ATOM 1283 CA GLU A 83 -40.761 -14.915 -3.865 1.00 0.00 C ATOM 1284 C GLU A 83 -41.059 -16.412 -3.922 1.00 0.00 C ATOM 1285 O GLU A 83 -40.193 -17.221 -4.191 1.00 0.00 O ATOM 1286 CB GLU A 83 -40.032 -14.588 -2.560 1.00 0.00 C ATOM 1287 CG GLU A 83 -39.624 -13.113 -2.561 1.00 0.00 C ATOM 1288 CD GLU A 83 -38.858 -12.795 -1.275 1.00 0.00 C ATOM 1289 OE1 GLU A 83 -38.788 -13.663 -0.421 1.00 0.00 O ATOM 1290 OE2 GLU A 83 -38.357 -11.688 -1.166 1.00 0.00 O ATOM 0 H GLU A 83 -42.290 -13.657 -3.073 1.00 0.00 H new ATOM 0 HA GLU A 83 -40.131 -14.632 -4.708 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -40.678 -14.797 -1.707 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -39.150 -15.220 -2.455 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -39.002 -12.897 -3.430 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -40.508 -12.480 -2.636 1.00 0.00 H new ATOM 1297 N ASN A 84 -42.284 -16.785 -3.676 1.00 0.00 N ATOM 1298 CA ASN A 84 -42.647 -18.227 -3.718 1.00 0.00 C ATOM 1299 C ASN A 84 -42.681 -18.698 -5.173 1.00 0.00 C ATOM 1300 O ASN A 84 -42.472 -19.858 -5.464 1.00 0.00 O ATOM 1301 CB ASN A 84 -44.024 -18.427 -3.083 1.00 0.00 C ATOM 1302 CG ASN A 84 -44.321 -19.924 -2.971 1.00 0.00 C ATOM 1303 OD1 ASN A 84 -45.038 -20.476 -3.783 1.00 0.00 O ATOM 1304 ND2 ASN A 84 -43.796 -20.610 -1.993 1.00 0.00 N ATOM 0 H ASN A 84 -43.050 -16.151 -3.447 1.00 0.00 H new ATOM 0 HA ASN A 84 -41.907 -18.806 -3.164 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -44.052 -17.965 -2.096 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -44.789 -17.938 -3.686 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -43.987 -21.608 -1.910 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -43.194 -20.148 -1.311 1.00 0.00 H new ATOM 1311 N GLN A 85 -42.944 -17.807 -6.092 1.00 0.00 N ATOM 1312 CA GLN A 85 -42.989 -18.216 -7.525 1.00 0.00 C ATOM 1313 C GLN A 85 -42.720 -17.006 -8.427 1.00 0.00 C ATOM 1314 O GLN A 85 -43.493 -16.701 -9.313 1.00 0.00 O ATOM 1315 CB GLN A 85 -44.369 -18.792 -7.848 1.00 0.00 C ATOM 1316 CG GLN A 85 -44.492 -20.192 -7.244 1.00 0.00 C ATOM 1317 CD GLN A 85 -45.785 -20.853 -7.734 1.00 0.00 C ATOM 1318 OE1 GLN A 85 -46.046 -22.000 -7.428 1.00 0.00 O ATOM 1319 NE2 GLN A 85 -46.610 -20.177 -8.486 1.00 0.00 N ATOM 0 H GLN A 85 -43.128 -16.820 -5.913 1.00 0.00 H new ATOM 0 HA GLN A 85 -42.223 -18.971 -7.703 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -45.148 -18.143 -7.449 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -44.513 -18.836 -8.928 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -43.632 -20.798 -7.528 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -44.493 -20.130 -6.156 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -46.393 -19.214 -8.744 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -47.472 -20.611 -8.816 1.00 0.00 H new ATOM 1328 N CYS A 86 -41.629 -16.320 -8.218 1.00 0.00 N ATOM 1329 CA CYS A 86 -41.318 -15.140 -9.076 1.00 0.00 C ATOM 1330 C CYS A 86 -39.885 -15.254 -9.599 1.00 0.00 C ATOM 1331 O CYS A 86 -39.182 -14.271 -9.730 1.00 0.00 O ATOM 1332 CB CYS A 86 -41.463 -13.852 -8.262 1.00 0.00 C ATOM 1333 SG CYS A 86 -40.128 -13.753 -7.044 1.00 0.00 S ATOM 0 H CYS A 86 -40.941 -16.524 -7.493 1.00 0.00 H new ATOM 0 HA CYS A 86 -42.013 -15.114 -9.915 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -41.431 -12.986 -8.923 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -42.430 -13.834 -7.759 1.00 0.00 H new ATOM 0 HG CYS A 86 -38.981 -13.813 -7.652 1.00 0.00 H new ATOM 1338 N ASP A 87 -39.445 -16.446 -9.896 1.00 0.00 N ATOM 1339 CA ASP A 87 -38.057 -16.621 -10.409 1.00 0.00 C ATOM 1340 C ASP A 87 -37.957 -16.049 -11.825 1.00 0.00 C ATOM 1341 O ASP A 87 -36.903 -15.635 -12.264 1.00 0.00 O ATOM 1342 CB ASP A 87 -37.707 -18.110 -10.433 1.00 0.00 C ATOM 1343 CG ASP A 87 -37.479 -18.605 -9.003 1.00 0.00 C ATOM 1344 OD1 ASP A 87 -37.439 -17.775 -8.111 1.00 0.00 O ATOM 1345 OD2 ASP A 87 -37.348 -19.804 -8.826 1.00 0.00 O ATOM 0 H ASP A 87 -39.986 -17.306 -9.806 1.00 0.00 H new ATOM 0 HA ASP A 87 -37.360 -16.094 -9.757 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -38.512 -18.676 -10.901 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -36.812 -18.274 -11.033 1.00 0.00 H new ATOM 1350 N ARG A 88 -39.046 -16.024 -12.544 1.00 0.00 N ATOM 1351 CA ARG A 88 -39.011 -15.479 -13.930 1.00 0.00 C ATOM 1352 C ARG A 88 -40.097 -14.412 -14.089 1.00 0.00 C ATOM 1353 O ARG A 88 -40.441 -14.023 -15.186 1.00 0.00 O ATOM 1354 CB ARG A 88 -39.258 -16.611 -14.929 1.00 0.00 C ATOM 1355 CG ARG A 88 -38.117 -17.626 -14.843 1.00 0.00 C ATOM 1356 CD ARG A 88 -38.300 -18.692 -15.927 1.00 0.00 C ATOM 1357 NE ARG A 88 -37.389 -19.838 -15.653 1.00 0.00 N ATOM 1358 CZ ARG A 88 -37.714 -21.039 -16.050 1.00 0.00 C ATOM 1359 NH1 ARG A 88 -37.051 -21.607 -17.020 1.00 0.00 N ATOM 1360 NH2 ARG A 88 -38.702 -21.671 -15.477 1.00 0.00 N ATOM 0 H ARG A 88 -39.958 -16.357 -12.231 1.00 0.00 H new ATOM 0 HA ARG A 88 -38.035 -15.033 -14.119 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -40.209 -17.098 -14.715 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -39.326 -16.210 -15.940 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -37.158 -17.123 -14.970 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -38.104 -18.092 -13.858 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -39.335 -19.033 -15.946 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -38.085 -18.269 -16.908 1.00 0.00 H new ATOM 0 HE ARG A 88 -36.512 -19.685 -15.156 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -36.279 -21.113 -17.468 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -37.305 -22.545 -17.330 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -39.220 -21.227 -14.719 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -38.956 -22.609 -15.787 1.00 0.00 H new ATOM 1374 N LEU A 89 -40.638 -13.937 -13.001 1.00 0.00 N ATOM 1375 CA LEU A 89 -41.700 -12.895 -13.091 1.00 0.00 C ATOM 1376 C LEU A 89 -41.106 -11.609 -13.667 1.00 0.00 C ATOM 1377 O LEU A 89 -41.692 -10.970 -14.520 1.00 0.00 O ATOM 1378 CB LEU A 89 -42.261 -12.619 -11.695 1.00 0.00 C ATOM 1379 CG LEU A 89 -43.210 -11.419 -11.754 1.00 0.00 C ATOM 1380 CD1 LEU A 89 -44.524 -11.840 -12.415 1.00 0.00 C ATOM 1381 CD2 LEU A 89 -43.490 -10.920 -10.335 1.00 0.00 C ATOM 0 H LEU A 89 -40.391 -14.225 -12.054 1.00 0.00 H new ATOM 0 HA LEU A 89 -42.501 -13.247 -13.742 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -42.790 -13.497 -11.324 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -41.448 -12.419 -10.998 1.00 0.00 H new ATOM 0 HG LEU A 89 -42.750 -10.620 -12.336 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -45.200 -10.986 -12.457 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -44.325 -12.196 -13.426 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -44.984 -12.639 -11.833 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -44.166 -10.066 -10.376 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -43.950 -11.718 -9.753 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -42.554 -10.620 -9.864 1.00 0.00 H new ATOM 1393 N GLN A 90 -39.947 -11.222 -13.210 1.00 0.00 N ATOM 1394 CA GLN A 90 -39.316 -9.977 -13.731 1.00 0.00 C ATOM 1395 C GLN A 90 -38.964 -10.161 -15.209 1.00 0.00 C ATOM 1396 O GLN A 90 -38.998 -9.228 -15.986 1.00 0.00 O ATOM 1397 CB GLN A 90 -38.042 -9.679 -12.937 1.00 0.00 C ATOM 1398 CG GLN A 90 -37.463 -8.336 -13.386 1.00 0.00 C ATOM 1399 CD GLN A 90 -36.168 -8.058 -12.622 1.00 0.00 C ATOM 1400 OE1 GLN A 90 -35.802 -8.801 -11.733 1.00 0.00 O ATOM 1401 NE2 GLN A 90 -35.453 -7.012 -12.932 1.00 0.00 N ATOM 0 H GLN A 90 -39.409 -11.715 -12.497 1.00 0.00 H new ATOM 0 HA GLN A 90 -40.013 -9.146 -13.625 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -38.264 -9.653 -11.870 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -37.311 -10.472 -13.092 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -37.269 -8.352 -14.458 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -38.183 -7.538 -13.204 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -35.759 -6.388 -13.678 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -34.587 -6.818 -12.428 1.00 0.00 H new ATOM 1410 N ASP A 91 -38.625 -11.358 -15.603 1.00 0.00 N ATOM 1411 CA ASP A 91 -38.270 -11.600 -17.029 1.00 0.00 C ATOM 1412 C ASP A 91 -39.500 -11.371 -17.910 1.00 0.00 C ATOM 1413 O ASP A 91 -39.388 -11.052 -19.078 1.00 0.00 O ATOM 1414 CB ASP A 91 -37.786 -13.042 -17.196 1.00 0.00 C ATOM 1415 CG ASP A 91 -36.446 -13.217 -16.479 1.00 0.00 C ATOM 1416 OD1 ASP A 91 -35.845 -12.212 -16.135 1.00 0.00 O ATOM 1417 OD2 ASP A 91 -36.044 -14.352 -16.285 1.00 0.00 O ATOM 0 H ASP A 91 -38.579 -12.178 -14.999 1.00 0.00 H new ATOM 0 HA ASP A 91 -37.478 -10.913 -17.326 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -38.522 -13.734 -16.787 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -37.678 -13.280 -18.254 1.00 0.00 H new ATOM 1422 N ARG A 92 -40.674 -11.534 -17.363 1.00 0.00 N ATOM 1423 CA ARG A 92 -41.907 -11.326 -18.173 1.00 0.00 C ATOM 1424 C ARG A 92 -42.692 -10.136 -17.617 1.00 0.00 C ATOM 1425 O ARG A 92 -42.608 -9.816 -16.447 1.00 0.00 O ATOM 1426 CB ARG A 92 -42.776 -12.584 -18.107 1.00 0.00 C ATOM 1427 CG ARG A 92 -42.039 -13.749 -18.771 1.00 0.00 C ATOM 1428 CD ARG A 92 -42.952 -14.975 -18.808 1.00 0.00 C ATOM 1429 NE ARG A 92 -42.186 -16.150 -19.313 1.00 0.00 N ATOM 1430 CZ ARG A 92 -42.518 -17.355 -18.938 1.00 0.00 C ATOM 1431 NH1 ARG A 92 -42.845 -17.585 -17.696 1.00 0.00 N ATOM 1432 NH2 ARG A 92 -42.522 -18.329 -19.806 1.00 0.00 N ATOM 0 H ARG A 92 -40.832 -11.802 -16.392 1.00 0.00 H new ATOM 0 HA ARG A 92 -41.631 -11.126 -19.208 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -43.003 -12.828 -17.069 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -43.727 -12.408 -18.609 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -41.740 -13.475 -19.783 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -41.127 -13.978 -18.220 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -43.341 -15.182 -17.811 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -43.810 -14.783 -19.452 1.00 0.00 H new ATOM 0 HE ARG A 92 -41.403 -16.012 -19.951 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -42.841 -16.823 -17.018 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -43.105 -18.527 -17.403 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -42.266 -18.148 -20.777 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -42.781 -19.271 -19.514 1.00 0.00 H new ATOM 1446 N GLN A 93 -43.455 -9.478 -18.446 1.00 0.00 N ATOM 1447 CA GLN A 93 -44.246 -8.310 -17.966 1.00 0.00 C ATOM 1448 C GLN A 93 -45.187 -8.761 -16.847 1.00 0.00 C ATOM 1449 O GLN A 93 -45.712 -7.959 -16.101 1.00 0.00 O ATOM 1450 CB GLN A 93 -45.066 -7.741 -19.125 1.00 0.00 C ATOM 1451 CG GLN A 93 -45.763 -6.455 -18.675 1.00 0.00 C ATOM 1452 CD GLN A 93 -46.592 -5.894 -19.833 1.00 0.00 C ATOM 1453 OE1 GLN A 93 -46.522 -6.389 -20.940 1.00 0.00 O ATOM 1454 NE2 GLN A 93 -47.377 -4.873 -19.623 1.00 0.00 N ATOM 0 H GLN A 93 -43.565 -9.699 -19.436 1.00 0.00 H new ATOM 0 HA GLN A 93 -43.572 -7.542 -17.587 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -44.418 -7.537 -19.977 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -45.805 -8.471 -19.455 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -46.405 -6.657 -17.818 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -45.024 -5.721 -18.353 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -47.436 -4.458 -18.693 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -47.932 -4.490 -20.389 1.00 0.00 H new ATOM 1463 N MET A 94 -45.402 -10.043 -16.724 1.00 0.00 N ATOM 1464 CA MET A 94 -46.309 -10.547 -15.654 1.00 0.00 C ATOM 1465 C MET A 94 -45.988 -9.839 -14.337 1.00 0.00 C ATOM 1466 O MET A 94 -46.846 -9.648 -13.498 1.00 0.00 O ATOM 1467 CB MET A 94 -46.110 -12.054 -15.484 1.00 0.00 C ATOM 1468 CG MET A 94 -47.119 -12.587 -14.464 1.00 0.00 C ATOM 1469 SD MET A 94 -46.414 -14.019 -13.608 1.00 0.00 S ATOM 1470 CE MET A 94 -47.000 -13.600 -11.947 1.00 0.00 C ATOM 0 H MET A 94 -44.989 -10.762 -17.318 1.00 0.00 H new ATOM 0 HA MET A 94 -47.344 -10.346 -15.932 1.00 0.00 H new ATOM 0 HB2 MET A 94 -46.241 -12.560 -16.441 1.00 0.00 H new ATOM 0 HB3 MET A 94 -45.094 -12.263 -15.150 1.00 0.00 H new ATOM 0 HG2 MET A 94 -47.371 -11.808 -13.745 1.00 0.00 H new ATOM 0 HG3 MET A 94 -48.045 -12.869 -14.966 1.00 0.00 H new ATOM 0 HE1 MET A 94 -46.282 -13.955 -11.208 1.00 0.00 H new ATOM 0 HE2 MET A 94 -47.105 -12.519 -11.860 1.00 0.00 H new ATOM 0 HE3 MET A 94 -47.966 -14.073 -11.772 1.00 0.00 H new ATOM 1480 N VAL A 95 -44.757 -9.448 -14.146 1.00 0.00 N ATOM 1481 CA VAL A 95 -44.384 -8.754 -12.880 1.00 0.00 C ATOM 1482 C VAL A 95 -45.320 -7.566 -12.653 1.00 0.00 C ATOM 1483 O VAL A 95 -45.684 -7.255 -11.536 1.00 0.00 O ATOM 1484 CB VAL A 95 -42.940 -8.253 -12.978 1.00 0.00 C ATOM 1485 CG1 VAL A 95 -42.844 -7.181 -14.066 1.00 0.00 C ATOM 1486 CG2 VAL A 95 -42.518 -7.655 -11.635 1.00 0.00 C ATOM 0 H VAL A 95 -43.995 -9.579 -14.811 1.00 0.00 H new ATOM 0 HA VAL A 95 -44.472 -9.450 -12.046 1.00 0.00 H new ATOM 0 HB VAL A 95 -42.282 -9.085 -13.230 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -41.816 -6.824 -14.136 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -43.146 -7.606 -15.023 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -43.501 -6.348 -13.815 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -41.490 -7.298 -11.703 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -43.176 -6.823 -11.385 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -42.587 -8.418 -10.859 1.00 0.00 H new ATOM 1496 N GLN A 96 -45.711 -6.901 -13.702 1.00 0.00 N ATOM 1497 CA GLN A 96 -46.621 -5.732 -13.548 1.00 0.00 C ATOM 1498 C GLN A 96 -48.027 -6.223 -13.201 1.00 0.00 C ATOM 1499 O GLN A 96 -48.457 -6.159 -12.067 1.00 0.00 O ATOM 1500 CB GLN A 96 -46.664 -4.941 -14.856 1.00 0.00 C ATOM 1501 CG GLN A 96 -45.261 -4.425 -15.186 1.00 0.00 C ATOM 1502 CD GLN A 96 -45.371 -3.153 -16.028 1.00 0.00 C ATOM 1503 OE1 GLN A 96 -44.611 -2.223 -15.848 1.00 0.00 O ATOM 1504 NE2 GLN A 96 -46.294 -3.072 -16.947 1.00 0.00 N ATOM 0 H GLN A 96 -45.440 -7.116 -14.661 1.00 0.00 H new ATOM 0 HA GLN A 96 -46.253 -5.089 -12.748 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -47.030 -5.574 -15.664 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -47.359 -4.106 -14.766 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -44.712 -4.219 -14.267 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -44.700 -5.186 -15.729 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -46.933 -3.853 -17.099 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -46.377 -2.228 -17.514 1.00 0.00 H new ATOM 1513 N GLN A 97 -48.747 -6.712 -14.172 1.00 0.00 N ATOM 1514 CA GLN A 97 -50.127 -7.206 -13.903 1.00 0.00 C ATOM 1515 C GLN A 97 -50.140 -7.999 -12.595 1.00 0.00 C ATOM 1516 O GLN A 97 -50.944 -7.754 -11.718 1.00 0.00 O ATOM 1517 CB GLN A 97 -50.578 -8.111 -15.052 1.00 0.00 C ATOM 1518 CG GLN A 97 -52.045 -8.496 -14.851 1.00 0.00 C ATOM 1519 CD GLN A 97 -52.944 -7.382 -15.390 1.00 0.00 C ATOM 1520 OE1 GLN A 97 -52.868 -7.034 -16.552 1.00 0.00 O ATOM 1521 NE2 GLN A 97 -53.798 -6.805 -14.590 1.00 0.00 N ATOM 0 H GLN A 97 -48.439 -6.791 -15.141 1.00 0.00 H new ATOM 0 HA GLN A 97 -50.806 -6.357 -13.820 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -50.453 -7.597 -16.005 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -49.958 -9.006 -15.089 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -52.260 -9.432 -15.366 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -52.247 -8.661 -13.793 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -53.861 -7.098 -13.615 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -54.402 -6.061 -14.940 1.00 0.00 H new ATOM 1530 N PHE A 98 -49.253 -8.945 -12.455 1.00 0.00 N ATOM 1531 CA PHE A 98 -49.215 -9.750 -11.202 1.00 0.00 C ATOM 1532 C PHE A 98 -49.140 -8.808 -10.001 1.00 0.00 C ATOM 1533 O PHE A 98 -49.799 -9.008 -9.000 1.00 0.00 O ATOM 1534 CB PHE A 98 -47.986 -10.663 -11.216 1.00 0.00 C ATOM 1535 CG PHE A 98 -47.955 -11.498 -9.958 1.00 0.00 C ATOM 1536 CD1 PHE A 98 -49.146 -11.816 -9.294 1.00 0.00 C ATOM 1537 CD2 PHE A 98 -46.731 -11.956 -9.454 1.00 0.00 C ATOM 1538 CE1 PHE A 98 -49.113 -12.591 -8.128 1.00 0.00 C ATOM 1539 CE2 PHE A 98 -46.699 -12.732 -8.290 1.00 0.00 C ATOM 1540 CZ PHE A 98 -47.891 -13.049 -7.627 1.00 0.00 C ATOM 0 H PHE A 98 -48.553 -9.195 -13.154 1.00 0.00 H new ATOM 0 HA PHE A 98 -50.115 -10.361 -11.132 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -48.012 -11.310 -12.093 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -47.078 -10.065 -11.289 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -50.091 -11.463 -9.681 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -45.811 -11.710 -9.964 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -50.032 -12.835 -7.616 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -45.755 -13.086 -7.903 1.00 0.00 H new ATOM 0 HZ PHE A 98 -47.866 -13.648 -6.728 1.00 0.00 H new ATOM 1550 N LYS A 99 -48.346 -7.780 -10.097 1.00 0.00 N ATOM 1551 CA LYS A 99 -48.235 -6.820 -8.963 1.00 0.00 C ATOM 1552 C LYS A 99 -49.551 -6.059 -8.821 1.00 0.00 C ATOM 1553 O LYS A 99 -49.943 -5.670 -7.738 1.00 0.00 O ATOM 1554 CB LYS A 99 -47.098 -5.832 -9.238 1.00 0.00 C ATOM 1555 CG LYS A 99 -46.852 -4.981 -7.990 1.00 0.00 C ATOM 1556 CD LYS A 99 -45.768 -3.942 -8.286 1.00 0.00 C ATOM 1557 CE LYS A 99 -45.473 -3.139 -7.018 1.00 0.00 C ATOM 1558 NZ LYS A 99 -44.007 -2.891 -6.916 1.00 0.00 N ATOM 0 H LYS A 99 -47.769 -7.562 -10.910 1.00 0.00 H new ATOM 0 HA LYS A 99 -48.024 -7.363 -8.042 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -46.190 -6.371 -9.509 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -47.353 -5.193 -10.083 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -47.774 -4.484 -7.688 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -46.545 -5.616 -7.159 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -44.861 -4.436 -8.636 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -46.096 -3.275 -9.084 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -46.012 -2.192 -7.041 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -45.822 -3.683 -6.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -43.806 -2.345 -6.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -43.503 -3.800 -6.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -43.687 -2.355 -7.748 1.00 0.00 H new ATOM 1572 N ARG A 100 -50.244 -5.849 -9.906 1.00 0.00 N ATOM 1573 CA ARG A 100 -51.540 -5.121 -9.833 1.00 0.00 C ATOM 1574 C ARG A 100 -52.570 -6.006 -9.135 1.00 0.00 C ATOM 1575 O ARG A 100 -53.250 -5.581 -8.221 1.00 0.00 O ATOM 1576 CB ARG A 100 -52.021 -4.785 -11.246 1.00 0.00 C ATOM 1577 CG ARG A 100 -51.040 -3.810 -11.899 1.00 0.00 C ATOM 1578 CD ARG A 100 -51.557 -3.418 -13.285 1.00 0.00 C ATOM 1579 NE ARG A 100 -50.595 -2.477 -13.926 1.00 0.00 N ATOM 1580 CZ ARG A 100 -50.457 -2.469 -15.224 1.00 0.00 C ATOM 1581 NH1 ARG A 100 -50.408 -3.596 -15.881 1.00 0.00 N ATOM 1582 NH2 ARG A 100 -50.368 -1.336 -15.863 1.00 0.00 N ATOM 0 H ARG A 100 -49.968 -6.151 -10.840 1.00 0.00 H new ATOM 0 HA ARG A 100 -51.411 -4.196 -9.271 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -52.097 -5.695 -11.842 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -53.017 -4.344 -11.208 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -50.925 -2.922 -11.277 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -50.055 -4.270 -11.983 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -51.680 -4.307 -13.904 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -52.538 -2.950 -13.200 1.00 0.00 H new ATOM 0 HE ARG A 100 -50.045 -1.840 -13.351 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -50.478 -4.482 -15.380 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -50.300 -3.591 -16.895 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -50.406 -0.456 -15.349 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -50.260 -1.330 -16.877 1.00 0.00 H new ATOM 1596 N GLU A 101 -52.686 -7.239 -9.548 1.00 0.00 N ATOM 1597 CA GLU A 101 -53.666 -8.147 -8.892 1.00 0.00 C ATOM 1598 C GLU A 101 -53.219 -8.388 -7.451 1.00 0.00 C ATOM 1599 O GLU A 101 -54.013 -8.378 -6.530 1.00 0.00 O ATOM 1600 CB GLU A 101 -53.716 -9.479 -9.644 1.00 0.00 C ATOM 1601 CG GLU A 101 -54.022 -9.221 -11.121 1.00 0.00 C ATOM 1602 CD GLU A 101 -54.541 -10.509 -11.765 1.00 0.00 C ATOM 1603 OE1 GLU A 101 -54.345 -11.561 -11.180 1.00 0.00 O ATOM 1604 OE2 GLU A 101 -55.125 -10.420 -12.833 1.00 0.00 O ATOM 0 H GLU A 101 -52.147 -7.654 -10.308 1.00 0.00 H new ATOM 0 HA GLU A 101 -54.658 -7.695 -8.904 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -52.764 -10.001 -9.545 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -54.480 -10.125 -9.211 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -54.764 -8.429 -11.217 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -53.124 -8.880 -11.636 1.00 0.00 H new ATOM 1611 N LEU A 102 -51.947 -8.600 -7.251 1.00 0.00 N ATOM 1612 CA LEU A 102 -51.440 -8.837 -5.871 1.00 0.00 C ATOM 1613 C LEU A 102 -51.806 -7.647 -4.985 1.00 0.00 C ATOM 1614 O LEU A 102 -52.100 -7.802 -3.817 1.00 0.00 O ATOM 1615 CB LEU A 102 -49.919 -9.001 -5.903 1.00 0.00 C ATOM 1616 CG LEU A 102 -49.566 -10.400 -6.411 1.00 0.00 C ATOM 1617 CD1 LEU A 102 -48.087 -10.682 -6.138 1.00 0.00 C ATOM 1618 CD2 LEU A 102 -50.426 -11.440 -5.689 1.00 0.00 C ATOM 0 H LEU A 102 -51.238 -8.619 -7.984 1.00 0.00 H new ATOM 0 HA LEU A 102 -51.892 -9.744 -5.469 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -49.475 -8.245 -6.550 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -49.505 -8.850 -4.906 1.00 0.00 H new ATOM 0 HG LEU A 102 -49.756 -10.455 -7.483 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -47.834 -11.679 -6.499 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -47.474 -9.943 -6.654 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -47.898 -10.626 -5.066 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -50.173 -12.436 -6.052 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -50.238 -11.386 -4.617 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -51.480 -11.239 -5.884 1.00 0.00 H new ATOM 1630 N MET A 103 -51.793 -6.459 -5.527 1.00 0.00 N ATOM 1631 CA MET A 103 -52.145 -5.268 -4.705 1.00 0.00 C ATOM 1632 C MET A 103 -53.597 -5.388 -4.241 1.00 0.00 C ATOM 1633 O MET A 103 -53.974 -4.877 -3.207 1.00 0.00 O ATOM 1634 CB MET A 103 -51.978 -4.000 -5.545 1.00 0.00 C ATOM 1635 CG MET A 103 -50.528 -3.519 -5.459 1.00 0.00 C ATOM 1636 SD MET A 103 -50.360 -1.948 -6.341 1.00 0.00 S ATOM 1637 CE MET A 103 -50.668 -0.861 -4.927 1.00 0.00 C ATOM 0 H MET A 103 -51.555 -6.263 -6.499 1.00 0.00 H new ATOM 0 HA MET A 103 -51.488 -5.214 -3.837 1.00 0.00 H new ATOM 0 HB2 MET A 103 -52.245 -4.200 -6.583 1.00 0.00 H new ATOM 0 HB3 MET A 103 -52.652 -3.222 -5.187 1.00 0.00 H new ATOM 0 HG2 MET A 103 -50.236 -3.396 -4.416 1.00 0.00 H new ATOM 0 HG3 MET A 103 -49.860 -4.264 -5.891 1.00 0.00 H new ATOM 0 HE1 MET A 103 -50.612 0.179 -5.249 1.00 0.00 H new ATOM 0 HE2 MET A 103 -51.660 -1.063 -4.522 1.00 0.00 H new ATOM 0 HE3 MET A 103 -49.918 -1.044 -4.157 1.00 0.00 H new ATOM 1647 N SER A 104 -54.416 -6.063 -5.001 1.00 0.00 N ATOM 1648 CA SER A 104 -55.845 -6.220 -4.606 1.00 0.00 C ATOM 1649 C SER A 104 -55.978 -7.368 -3.602 1.00 0.00 C ATOM 1650 O SER A 104 -56.831 -7.351 -2.737 1.00 0.00 O ATOM 1651 CB SER A 104 -56.685 -6.530 -5.847 1.00 0.00 C ATOM 1652 OG SER A 104 -56.266 -7.767 -6.404 1.00 0.00 O ATOM 0 H SER A 104 -54.157 -6.513 -5.879 1.00 0.00 H new ATOM 0 HA SER A 104 -56.197 -5.296 -4.148 1.00 0.00 H new ATOM 0 HB2 SER A 104 -57.741 -6.577 -5.582 1.00 0.00 H new ATOM 0 HB3 SER A 104 -56.576 -5.732 -6.582 1.00 0.00 H new ATOM 0 HG SER A 104 -55.346 -7.683 -6.731 1.00 0.00 H new ATOM 1658 N LEU A 105 -55.146 -8.368 -3.712 1.00 0.00 N ATOM 1659 CA LEU A 105 -55.233 -9.517 -2.766 1.00 0.00 C ATOM 1660 C LEU A 105 -55.398 -9.002 -1.335 1.00 0.00 C ATOM 1661 O LEU A 105 -56.268 -9.443 -0.611 1.00 0.00 O ATOM 1662 CB LEU A 105 -53.963 -10.367 -2.865 1.00 0.00 C ATOM 1663 CG LEU A 105 -54.124 -11.398 -3.985 1.00 0.00 C ATOM 1664 CD1 LEU A 105 -52.942 -12.370 -3.957 1.00 0.00 C ATOM 1665 CD2 LEU A 105 -55.425 -12.179 -3.785 1.00 0.00 C ATOM 0 H LEU A 105 -54.411 -8.439 -4.415 1.00 0.00 H new ATOM 0 HA LEU A 105 -56.096 -10.129 -3.028 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -53.101 -9.730 -3.064 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -53.775 -10.871 -1.917 1.00 0.00 H new ATOM 0 HG LEU A 105 -54.154 -10.883 -4.945 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -53.056 -13.104 -4.754 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -52.013 -11.818 -4.102 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -52.914 -12.881 -2.994 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -55.536 -12.912 -4.584 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -55.397 -12.692 -2.824 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -56.270 -11.490 -3.805 1.00 0.00 H new ATOM 1677 N PRO A 106 -54.550 -8.047 -0.915 1.00 0.00 N ATOM 1678 CA PRO A 106 -54.621 -7.477 0.434 1.00 0.00 C ATOM 1679 C PRO A 106 -55.899 -6.657 0.616 1.00 0.00 C ATOM 1680 O PRO A 106 -56.208 -6.195 1.696 1.00 0.00 O ATOM 1681 CB PRO A 106 -53.391 -6.574 0.510 1.00 0.00 C ATOM 1682 CG PRO A 106 -53.093 -6.232 -0.910 1.00 0.00 C ATOM 1683 CD PRO A 106 -53.468 -7.445 -1.713 1.00 0.00 C ATOM 0 HA PRO A 106 -54.639 -8.241 1.211 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -53.591 -5.680 1.100 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -52.551 -7.086 0.980 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -53.664 -5.360 -1.230 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -52.039 -5.988 -1.040 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -53.805 -7.178 -2.714 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -52.626 -8.127 -1.832 1.00 0.00 H new ATOM 1691 N GLN A 107 -56.648 -6.487 -0.439 1.00 0.00 N ATOM 1692 CA GLN A 107 -57.913 -5.713 -0.341 1.00 0.00 C ATOM 1693 C GLN A 107 -59.069 -6.680 -0.096 1.00 0.00 C ATOM 1694 O GLN A 107 -59.894 -6.475 0.772 1.00 0.00 O ATOM 1695 CB GLN A 107 -58.151 -4.950 -1.646 1.00 0.00 C ATOM 1696 CG GLN A 107 -57.127 -3.821 -1.771 1.00 0.00 C ATOM 1697 CD GLN A 107 -57.382 -3.044 -3.066 1.00 0.00 C ATOM 1698 OE1 GLN A 107 -58.046 -3.531 -3.959 1.00 0.00 O ATOM 1699 NE2 GLN A 107 -56.878 -1.849 -3.204 1.00 0.00 N ATOM 0 H GLN A 107 -56.436 -6.853 -1.367 1.00 0.00 H new ATOM 0 HA GLN A 107 -57.846 -5.001 0.482 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -58.067 -5.627 -2.496 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -59.162 -4.542 -1.662 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -57.199 -3.153 -0.913 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -56.117 -4.230 -1.772 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -56.321 -1.441 -2.454 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -57.041 -1.323 -4.062 1.00 0.00 H new ATOM 1708 N GLN A 108 -59.133 -7.738 -0.857 1.00 0.00 N ATOM 1709 CA GLN A 108 -60.235 -8.724 -0.671 1.00 0.00 C ATOM 1710 C GLN A 108 -60.298 -9.143 0.799 1.00 0.00 C ATOM 1711 O GLN A 108 -61.304 -9.630 1.274 1.00 0.00 O ATOM 1712 CB GLN A 108 -59.971 -9.954 -1.541 1.00 0.00 C ATOM 1713 CG GLN A 108 -60.032 -9.559 -3.018 1.00 0.00 C ATOM 1714 CD GLN A 108 -59.817 -10.800 -3.887 1.00 0.00 C ATOM 1715 OE1 GLN A 108 -59.258 -11.780 -3.436 1.00 0.00 O ATOM 1716 NE2 GLN A 108 -60.240 -10.799 -5.121 1.00 0.00 N ATOM 0 H GLN A 108 -58.470 -7.962 -1.599 1.00 0.00 H new ATOM 0 HA GLN A 108 -61.183 -8.271 -0.962 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -58.993 -10.375 -1.307 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -60.710 -10.727 -1.330 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -60.997 -9.106 -3.245 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -59.269 -8.812 -3.237 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -60.709 -9.976 -5.499 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -60.102 -11.621 -5.708 1.00 0.00 H new ATOM 1725 N CYS A 109 -59.228 -8.957 1.524 1.00 0.00 N ATOM 1726 CA CYS A 109 -59.223 -9.344 2.963 1.00 0.00 C ATOM 1727 C CYS A 109 -59.954 -8.279 3.783 1.00 0.00 C ATOM 1728 O CYS A 109 -60.266 -8.481 4.941 1.00 0.00 O ATOM 1729 CB CYS A 109 -57.778 -9.457 3.452 1.00 0.00 C ATOM 1730 SG CYS A 109 -57.055 -11.016 2.878 1.00 0.00 S ATOM 0 H CYS A 109 -58.356 -8.553 1.181 1.00 0.00 H new ATOM 0 HA CYS A 109 -59.727 -10.303 3.083 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -57.192 -8.616 3.081 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -57.748 -9.411 4.541 1.00 0.00 H new ATOM 1735 N ASN A 110 -60.227 -7.145 3.196 1.00 0.00 N ATOM 1736 CA ASN A 110 -60.937 -6.067 3.943 1.00 0.00 C ATOM 1737 C ASN A 110 -59.952 -5.363 4.881 1.00 0.00 C ATOM 1738 O ASN A 110 -60.341 -4.697 5.818 1.00 0.00 O ATOM 1739 CB ASN A 110 -62.076 -6.675 4.765 1.00 0.00 C ATOM 1740 CG ASN A 110 -62.683 -7.858 4.007 1.00 0.00 C ATOM 1741 OD1 ASN A 110 -62.707 -8.965 4.506 1.00 0.00 O ATOM 1742 ND2 ASN A 110 -63.179 -7.668 2.815 1.00 0.00 N ATOM 0 H ASN A 110 -59.989 -6.918 2.230 1.00 0.00 H new ATOM 0 HA ASN A 110 -61.346 -5.346 3.235 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -61.702 -7.005 5.734 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -62.841 -5.923 4.957 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -63.587 -8.449 2.302 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -63.159 -6.738 2.396 1.00 0.00 H new