USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=11 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 USER MOD Set 1.2: A 79 GLN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Set 2.1: A 34 GLN : amide:sc= 0.192 K(o=1.3,f=-2.2!) USER MOD Set 2.2: A 57 GLN : amide:sc= 1.08 K(o=1.3,f=-2.2!) USER MOD Set 3.1: A 33 MET CE :methyl -172:sc= -1.08 (180deg=-0.0774) USER MOD Set 3.2: A 94 MET CE :methyl -165:sc= -8.56! (180deg=-7.59!) USER MOD Single : A 15 SER OG : rot -31:sc= 0.0143 USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-1!) USER MOD Single : A 24 ASN : amide:sc= -0.0111 K(o=-0.011,f=-1.4) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -0.0422 K(o=-0.042,f=-1.8!) USER MOD Single : A 31 HIS : no HE2:sc= -5.86! C(o=-5.9!,f=-9.3!) USER MOD Single : A 37 MET CE :methyl -162:sc= -3.07! (180deg=-4.02!) USER MOD Single : A 56 GLN : amide:sc= -0.259 X(o=-0.26,f=0) USER MOD Single : A 58 GLN : amide:sc= -0.272 X(o=-0.27,f=0) USER MOD Single : A 65 ASN : amide:sc= -7.19! C(o=-7.2!,f=-4.5!) USER MOD Single : A 70 THR OG1 : rot -43:sc= 0.861 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -0.271 K(o=-0.27,f=-1.8) USER MOD Single : A 82 MET CE :methyl -124:sc= -6.25! (180deg=-13!) USER MOD Single : A 84 ASN : amide:sc=-0.00848 X(o=-0.0085,f=-0.0085) USER MOD Single : A 85 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 86 CYS SG : rot 180:sc= -2.08! USER MOD Single : A 90 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 93 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 GLN : amide:sc= -0.444 X(o=-0.44,f=-0.44) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 MET CE :methyl -135:sc= 0 (180deg=-0.0704) USER MOD Single : A 104 SER OG : rot -25:sc= 0.604 USER MOD Single : A 107 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 217 N SER A 15 -38.511 -10.974 14.917 1.00 0.00 N ATOM 218 CA SER A 15 -39.144 -12.286 15.228 1.00 0.00 C ATOM 219 C SER A 15 -40.424 -12.447 14.405 1.00 0.00 C ATOM 220 O SER A 15 -40.844 -13.546 14.103 1.00 0.00 O ATOM 221 CB SER A 15 -39.484 -12.347 16.719 1.00 0.00 C ATOM 222 OG SER A 15 -40.515 -11.414 17.007 1.00 0.00 O ATOM 0 HA SER A 15 -38.451 -13.090 14.979 1.00 0.00 H new ATOM 0 HB2 SER A 15 -39.803 -13.353 16.989 1.00 0.00 H new ATOM 0 HB3 SER A 15 -38.599 -12.123 17.314 1.00 0.00 H new ATOM 0 HG SER A 15 -40.442 -10.648 16.400 1.00 0.00 H new ATOM 228 N CYS A 16 -41.047 -11.359 14.038 1.00 0.00 N ATOM 229 CA CYS A 16 -42.297 -11.454 13.232 1.00 0.00 C ATOM 230 C CYS A 16 -41.996 -12.165 11.911 1.00 0.00 C ATOM 231 O CYS A 16 -42.866 -12.751 11.298 1.00 0.00 O ATOM 232 CB CYS A 16 -42.829 -10.049 12.945 1.00 0.00 C ATOM 233 SG CYS A 16 -44.552 -10.155 12.398 1.00 0.00 S ATOM 0 H CYS A 16 -40.745 -10.411 14.261 1.00 0.00 H new ATOM 0 HA CYS A 16 -43.046 -12.018 13.788 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -42.758 -9.432 13.841 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -42.222 -9.568 12.178 1.00 0.00 H new ATOM 238 N GLU A 17 -40.770 -12.118 11.468 1.00 0.00 N ATOM 239 CA GLU A 17 -40.414 -12.791 10.188 1.00 0.00 C ATOM 240 C GLU A 17 -40.664 -14.295 10.317 1.00 0.00 C ATOM 241 O GLU A 17 -41.280 -14.906 9.466 1.00 0.00 O ATOM 242 CB GLU A 17 -38.937 -12.543 9.877 1.00 0.00 C ATOM 243 CG GLU A 17 -38.759 -11.114 9.357 1.00 0.00 C ATOM 244 CD GLU A 17 -37.293 -10.887 8.983 1.00 0.00 C ATOM 245 OE1 GLU A 17 -36.522 -11.825 9.091 1.00 0.00 O ATOM 246 OE2 GLU A 17 -36.967 -9.777 8.595 1.00 0.00 O ATOM 0 H GLU A 17 -39.999 -11.642 11.937 1.00 0.00 H new ATOM 0 HA GLU A 17 -41.027 -12.389 9.382 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -38.335 -12.693 10.773 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -38.586 -13.259 9.134 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -39.397 -10.949 8.489 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -39.066 -10.397 10.119 1.00 0.00 H new ATOM 253 N ARG A 18 -40.191 -14.897 11.374 1.00 0.00 N ATOM 254 CA ARG A 18 -40.402 -16.362 11.555 1.00 0.00 C ATOM 255 C ARG A 18 -41.888 -16.687 11.387 1.00 0.00 C ATOM 256 O ARG A 18 -42.260 -17.813 11.120 1.00 0.00 O ATOM 257 CB ARG A 18 -39.946 -16.775 12.956 1.00 0.00 C ATOM 258 CG ARG A 18 -40.144 -18.282 13.132 1.00 0.00 C ATOM 259 CD ARG A 18 -39.735 -18.688 14.550 1.00 0.00 C ATOM 260 NE ARG A 18 -40.759 -18.207 15.520 1.00 0.00 N ATOM 261 CZ ARG A 18 -40.687 -18.560 16.775 1.00 0.00 C ATOM 262 NH1 ARG A 18 -40.187 -17.738 17.657 1.00 0.00 N ATOM 263 NH2 ARG A 18 -41.114 -19.736 17.146 1.00 0.00 N ATOM 0 H ARG A 18 -39.668 -14.438 12.120 1.00 0.00 H new ATOM 0 HA ARG A 18 -39.823 -16.907 10.809 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -38.897 -16.516 13.100 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -40.515 -16.232 13.710 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -41.186 -18.546 12.953 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -39.547 -18.826 12.400 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -39.637 -19.772 14.615 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -38.761 -18.265 14.794 1.00 0.00 H new ATOM 0 HE ARG A 18 -41.516 -17.602 15.203 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -39.852 -16.819 17.366 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -40.131 -18.014 18.637 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -41.503 -20.378 16.456 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -41.058 -20.013 18.126 1.00 0.00 H new ATOM 277 N GLN A 19 -42.741 -15.712 11.544 1.00 0.00 N ATOM 278 CA GLN A 19 -44.200 -15.969 11.396 1.00 0.00 C ATOM 279 C GLN A 19 -44.556 -16.064 9.910 1.00 0.00 C ATOM 280 O GLN A 19 -45.587 -16.592 9.543 1.00 0.00 O ATOM 281 CB GLN A 19 -44.987 -14.825 12.038 1.00 0.00 C ATOM 282 CG GLN A 19 -44.856 -14.909 13.560 1.00 0.00 C ATOM 283 CD GLN A 19 -45.808 -13.905 14.212 1.00 0.00 C ATOM 284 OE1 GLN A 19 -46.287 -12.995 13.565 1.00 0.00 O ATOM 285 NE2 GLN A 19 -46.105 -14.031 15.477 1.00 0.00 N ATOM 0 H GLN A 19 -42.490 -14.749 11.768 1.00 0.00 H new ATOM 0 HA GLN A 19 -44.455 -16.907 11.889 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -44.611 -13.866 11.682 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -46.036 -14.883 11.749 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -45.087 -15.919 13.900 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -43.829 -14.699 13.859 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -45.704 -14.794 16.021 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -46.738 -13.366 15.921 1.00 0.00 H new ATOM 294 N VAL A 20 -43.712 -15.560 9.051 1.00 0.00 N ATOM 295 CA VAL A 20 -44.008 -15.626 7.592 1.00 0.00 C ATOM 296 C VAL A 20 -43.759 -17.050 7.088 1.00 0.00 C ATOM 297 O VAL A 20 -44.414 -17.519 6.177 1.00 0.00 O ATOM 298 CB VAL A 20 -43.101 -14.649 6.839 1.00 0.00 C ATOM 299 CG1 VAL A 20 -41.678 -15.208 6.779 1.00 0.00 C ATOM 300 CG2 VAL A 20 -43.631 -14.455 5.417 1.00 0.00 C ATOM 0 H VAL A 20 -42.832 -15.106 9.296 1.00 0.00 H new ATOM 0 HA VAL A 20 -45.050 -15.355 7.419 1.00 0.00 H new ATOM 0 HB VAL A 20 -43.091 -13.692 7.360 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -41.035 -14.510 6.242 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -41.298 -15.346 7.791 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -41.685 -16.167 6.260 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -42.986 -13.760 4.880 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -43.642 -15.414 4.899 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -44.643 -14.053 5.458 1.00 0.00 H new ATOM 310 N ASP A 21 -42.819 -17.742 7.673 1.00 0.00 N ATOM 311 CA ASP A 21 -42.531 -19.134 7.228 1.00 0.00 C ATOM 312 C ASP A 21 -43.823 -19.954 7.246 1.00 0.00 C ATOM 313 O ASP A 21 -44.005 -20.861 6.459 1.00 0.00 O ATOM 314 CB ASP A 21 -41.510 -19.770 8.171 1.00 0.00 C ATOM 315 CG ASP A 21 -40.139 -19.127 7.947 1.00 0.00 C ATOM 316 OD1 ASP A 21 -40.020 -18.343 7.019 1.00 0.00 O ATOM 317 OD2 ASP A 21 -39.234 -19.429 8.706 1.00 0.00 O ATOM 0 H ASP A 21 -42.238 -17.403 8.440 1.00 0.00 H new ATOM 0 HA ASP A 21 -42.128 -19.115 6.216 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -41.822 -19.635 9.207 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -41.454 -20.844 7.992 1.00 0.00 H new ATOM 322 N ARG A 22 -44.721 -19.640 8.138 1.00 0.00 N ATOM 323 CA ARG A 22 -46.001 -20.401 8.205 1.00 0.00 C ATOM 324 C ARG A 22 -46.939 -19.914 7.102 1.00 0.00 C ATOM 325 O ARG A 22 -47.893 -20.577 6.746 1.00 0.00 O ATOM 326 CB ARG A 22 -46.656 -20.179 9.571 1.00 0.00 C ATOM 327 CG ARG A 22 -47.864 -21.105 9.713 1.00 0.00 C ATOM 328 CD ARG A 22 -48.600 -20.787 11.017 1.00 0.00 C ATOM 329 NE ARG A 22 -49.643 -21.823 11.264 1.00 0.00 N ATOM 330 CZ ARG A 22 -50.420 -22.210 10.289 1.00 0.00 C ATOM 331 NH1 ARG A 22 -51.654 -21.787 10.231 1.00 0.00 N ATOM 332 NH2 ARG A 22 -49.965 -23.020 9.373 1.00 0.00 N ATOM 0 H ARG A 22 -44.625 -18.890 8.823 1.00 0.00 H new ATOM 0 HA ARG A 22 -45.801 -21.464 8.068 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -45.938 -20.376 10.367 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -46.967 -19.139 9.672 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -48.535 -20.978 8.864 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -47.540 -22.146 9.710 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -47.895 -20.760 11.848 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -49.059 -19.800 10.957 1.00 0.00 H new ATOM 0 HE ARG A 22 -49.749 -22.229 12.194 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -52.010 -21.154 10.947 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -52.261 -22.089 9.469 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -49.001 -23.351 9.418 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -50.573 -23.322 8.612 1.00 0.00 H new ATOM 346 N VAL A 23 -46.677 -18.758 6.556 1.00 0.00 N ATOM 347 CA VAL A 23 -47.553 -18.227 5.474 1.00 0.00 C ATOM 348 C VAL A 23 -47.887 -19.350 4.491 1.00 0.00 C ATOM 349 O VAL A 23 -48.925 -19.975 4.576 1.00 0.00 O ATOM 350 CB VAL A 23 -46.825 -17.102 4.735 1.00 0.00 C ATOM 351 CG1 VAL A 23 -47.592 -16.751 3.458 1.00 0.00 C ATOM 352 CG2 VAL A 23 -46.743 -15.869 5.637 1.00 0.00 C ATOM 0 H VAL A 23 -45.893 -18.158 6.813 1.00 0.00 H new ATOM 0 HA VAL A 23 -48.474 -17.840 5.909 1.00 0.00 H new ATOM 0 HB VAL A 23 -45.818 -17.429 4.475 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -47.074 -15.950 2.931 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -47.650 -17.630 2.815 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -48.599 -16.423 3.717 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -46.224 -15.067 5.111 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -47.749 -15.541 5.897 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -46.197 -16.119 6.546 1.00 0.00 H new ATOM 362 N ASN A 24 -47.014 -19.610 3.559 1.00 0.00 N ATOM 363 CA ASN A 24 -47.280 -20.691 2.570 1.00 0.00 C ATOM 364 C ASN A 24 -48.649 -20.463 1.924 1.00 0.00 C ATOM 365 O ASN A 24 -49.611 -21.137 2.232 1.00 0.00 O ATOM 366 CB ASN A 24 -47.269 -22.045 3.282 1.00 0.00 C ATOM 367 CG ASN A 24 -45.906 -22.263 3.943 1.00 0.00 C ATOM 368 OD1 ASN A 24 -44.938 -21.616 3.593 1.00 0.00 O ATOM 369 ND2 ASN A 24 -45.788 -23.153 4.890 1.00 0.00 N ATOM 0 H ASN A 24 -46.127 -19.120 3.439 1.00 0.00 H new ATOM 0 HA ASN A 24 -46.509 -20.680 1.800 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -48.059 -22.080 4.032 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -47.471 -22.844 2.569 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -44.884 -23.306 5.336 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -46.600 -23.696 5.184 1.00 0.00 H new ATOM 376 N LEU A 25 -48.743 -19.518 1.030 1.00 0.00 N ATOM 377 CA LEU A 25 -50.049 -19.247 0.365 1.00 0.00 C ATOM 378 C LEU A 25 -49.957 -19.636 -1.112 1.00 0.00 C ATOM 379 O LEU A 25 -49.985 -18.795 -1.989 1.00 0.00 O ATOM 380 CB LEU A 25 -50.379 -17.757 0.480 1.00 0.00 C ATOM 381 CG LEU A 25 -50.859 -17.448 1.900 1.00 0.00 C ATOM 382 CD1 LEU A 25 -50.796 -15.940 2.144 1.00 0.00 C ATOM 383 CD2 LEU A 25 -52.302 -17.932 2.067 1.00 0.00 C ATOM 0 H LEU A 25 -47.972 -18.921 0.731 1.00 0.00 H new ATOM 0 HA LEU A 25 -50.832 -19.831 0.848 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -49.498 -17.159 0.244 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -51.150 -17.488 -0.242 1.00 0.00 H new ATOM 0 HG LEU A 25 -50.218 -17.959 2.619 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -51.138 -15.720 3.155 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -49.769 -15.595 2.025 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -51.436 -15.428 1.425 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -52.645 -17.712 3.078 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -52.943 -17.422 1.348 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -52.347 -19.007 1.894 1.00 0.00 H new ATOM 395 N LYS A 26 -49.848 -20.906 -1.394 1.00 0.00 N ATOM 396 CA LYS A 26 -49.752 -21.354 -2.812 1.00 0.00 C ATOM 397 C LYS A 26 -51.079 -21.109 -3.542 1.00 0.00 C ATOM 398 O LYS A 26 -51.090 -20.755 -4.704 1.00 0.00 O ATOM 399 CB LYS A 26 -49.420 -22.847 -2.850 1.00 0.00 C ATOM 400 CG LYS A 26 -49.086 -23.258 -4.286 1.00 0.00 C ATOM 401 CD LYS A 26 -47.589 -23.554 -4.397 1.00 0.00 C ATOM 402 CE LYS A 26 -47.370 -25.068 -4.450 1.00 0.00 C ATOM 403 NZ LYS A 26 -46.315 -25.383 -5.454 1.00 0.00 N ATOM 0 H LYS A 26 -49.821 -21.654 -0.701 1.00 0.00 H new ATOM 0 HA LYS A 26 -48.966 -20.785 -3.309 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -48.576 -23.060 -2.194 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -50.265 -23.428 -2.481 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -49.663 -24.139 -4.567 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -49.362 -22.462 -4.977 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -47.180 -23.085 -5.292 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -47.059 -23.129 -3.544 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -47.075 -25.438 -3.468 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -48.300 -25.572 -4.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -46.166 -26.412 -5.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -46.614 -25.043 -6.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -45.427 -24.914 -5.183 1.00 0.00 H new ATOM 417 N PRO A 27 -52.224 -21.306 -2.860 1.00 0.00 N ATOM 418 CA PRO A 27 -53.545 -21.108 -3.473 1.00 0.00 C ATOM 419 C PRO A 27 -53.806 -19.634 -3.799 1.00 0.00 C ATOM 420 O PRO A 27 -54.353 -19.307 -4.834 1.00 0.00 O ATOM 421 CB PRO A 27 -54.519 -21.598 -2.403 1.00 0.00 C ATOM 422 CG PRO A 27 -53.772 -21.452 -1.123 1.00 0.00 C ATOM 423 CD PRO A 27 -52.333 -21.731 -1.450 1.00 0.00 C ATOM 0 HA PRO A 27 -53.640 -21.639 -4.420 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -55.434 -21.006 -2.398 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -54.811 -22.634 -2.576 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -53.892 -20.449 -0.713 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -54.144 -22.149 -0.372 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -51.657 -21.169 -0.806 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -52.088 -22.786 -1.326 1.00 0.00 H new ATOM 431 N CYS A 28 -53.410 -18.741 -2.934 1.00 0.00 N ATOM 432 CA CYS A 28 -53.631 -17.294 -3.212 1.00 0.00 C ATOM 433 C CYS A 28 -52.785 -16.896 -4.422 1.00 0.00 C ATOM 434 O CYS A 28 -53.289 -16.411 -5.420 1.00 0.00 O ATOM 435 CB CYS A 28 -53.208 -16.468 -1.995 1.00 0.00 C ATOM 436 SG CYS A 28 -54.668 -16.064 -1.004 1.00 0.00 S ATOM 0 H CYS A 28 -52.945 -18.949 -2.050 1.00 0.00 H new ATOM 0 HA CYS A 28 -54.685 -17.109 -3.417 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -52.491 -17.027 -1.394 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -52.710 -15.554 -2.318 1.00 0.00 H new ATOM 441 N GLU A 29 -51.499 -17.108 -4.349 1.00 0.00 N ATOM 442 CA GLU A 29 -50.624 -16.757 -5.497 1.00 0.00 C ATOM 443 C GLU A 29 -51.193 -17.395 -6.764 1.00 0.00 C ATOM 444 O GLU A 29 -51.101 -16.849 -7.846 1.00 0.00 O ATOM 445 CB GLU A 29 -49.213 -17.290 -5.249 1.00 0.00 C ATOM 446 CG GLU A 29 -48.209 -16.473 -6.062 1.00 0.00 C ATOM 447 CD GLU A 29 -46.807 -17.058 -5.882 1.00 0.00 C ATOM 448 OE1 GLU A 29 -46.676 -18.008 -5.126 1.00 0.00 O ATOM 449 OE2 GLU A 29 -45.889 -16.549 -6.502 1.00 0.00 O ATOM 0 H GLU A 29 -51.019 -17.509 -3.543 1.00 0.00 H new ATOM 0 HA GLU A 29 -50.583 -15.674 -5.612 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -48.972 -17.231 -4.188 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -49.155 -18.341 -5.531 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -48.486 -16.483 -7.116 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -48.224 -15.432 -5.738 1.00 0.00 H new ATOM 456 N GLN A 30 -51.777 -18.555 -6.639 1.00 0.00 N ATOM 457 CA GLN A 30 -52.349 -19.233 -7.833 1.00 0.00 C ATOM 458 C GLN A 30 -53.593 -18.478 -8.308 1.00 0.00 C ATOM 459 O GLN A 30 -53.969 -18.555 -9.461 1.00 0.00 O ATOM 460 CB GLN A 30 -52.729 -20.670 -7.471 1.00 0.00 C ATOM 461 CG GLN A 30 -51.481 -21.556 -7.524 1.00 0.00 C ATOM 462 CD GLN A 30 -51.801 -22.924 -6.922 1.00 0.00 C ATOM 463 OE1 GLN A 30 -52.898 -23.154 -6.452 1.00 0.00 O ATOM 464 NE2 GLN A 30 -50.882 -23.851 -6.914 1.00 0.00 N ATOM 0 H GLN A 30 -51.882 -19.062 -5.760 1.00 0.00 H new ATOM 0 HA GLN A 30 -51.608 -19.244 -8.632 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -53.168 -20.701 -6.474 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -53.483 -21.044 -8.164 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -51.146 -21.670 -8.555 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -50.665 -21.087 -6.974 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -49.961 -23.659 -7.308 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -51.085 -24.767 -6.514 1.00 0.00 H new ATOM 473 N HIS A 31 -54.235 -17.744 -7.439 1.00 0.00 N ATOM 474 CA HIS A 31 -55.445 -16.988 -7.860 1.00 0.00 C ATOM 475 C HIS A 31 -54.992 -15.720 -8.575 1.00 0.00 C ATOM 476 O HIS A 31 -55.725 -15.122 -9.338 1.00 0.00 O ATOM 477 CB HIS A 31 -56.275 -16.625 -6.624 1.00 0.00 C ATOM 478 CG HIS A 31 -57.139 -15.428 -6.921 1.00 0.00 C ATOM 479 ND1 HIS A 31 -58.210 -15.488 -7.799 1.00 0.00 N ATOM 480 CD2 HIS A 31 -57.104 -14.134 -6.460 1.00 0.00 C ATOM 481 CE1 HIS A 31 -58.770 -14.265 -7.840 1.00 0.00 C ATOM 482 NE2 HIS A 31 -58.135 -13.402 -7.042 1.00 0.00 N ATOM 0 H HIS A 31 -53.973 -17.637 -6.459 1.00 0.00 H new ATOM 0 HA HIS A 31 -56.058 -17.592 -8.529 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -56.898 -17.471 -6.332 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -55.616 -16.409 -5.783 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -58.518 -16.310 -8.319 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -56.386 -13.744 -5.754 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -59.628 -14.012 -8.445 1.00 0.00 H new ATOM 490 N ILE A 32 -53.778 -15.312 -8.334 1.00 0.00 N ATOM 491 CA ILE A 32 -53.259 -14.086 -9.000 1.00 0.00 C ATOM 492 C ILE A 32 -52.531 -14.480 -10.284 1.00 0.00 C ATOM 493 O ILE A 32 -52.804 -13.959 -11.347 1.00 0.00 O ATOM 494 CB ILE A 32 -52.289 -13.352 -8.068 1.00 0.00 C ATOM 495 CG1 ILE A 32 -52.094 -14.155 -6.778 1.00 0.00 C ATOM 496 CG2 ILE A 32 -52.862 -11.980 -7.726 1.00 0.00 C ATOM 497 CD1 ILE A 32 -51.290 -13.328 -5.773 1.00 0.00 C ATOM 0 H ILE A 32 -53.122 -15.775 -7.704 1.00 0.00 H new ATOM 0 HA ILE A 32 -54.093 -13.425 -9.236 1.00 0.00 H new ATOM 0 HB ILE A 32 -51.327 -13.239 -8.568 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -53.062 -14.420 -6.353 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -51.574 -15.088 -6.994 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -52.175 -11.454 -7.063 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -52.996 -11.403 -8.641 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -53.825 -12.101 -7.229 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -51.153 -13.902 -4.856 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -50.316 -13.085 -6.198 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -51.827 -12.407 -5.547 1.00 0.00 H new ATOM 509 N MET A 33 -51.612 -15.401 -10.198 1.00 0.00 N ATOM 510 CA MET A 33 -50.875 -15.830 -11.419 1.00 0.00 C ATOM 511 C MET A 33 -51.865 -16.425 -12.420 1.00 0.00 C ATOM 512 O MET A 33 -51.771 -16.201 -13.609 1.00 0.00 O ATOM 513 CB MET A 33 -49.832 -16.884 -11.041 1.00 0.00 C ATOM 514 CG MET A 33 -48.928 -16.335 -9.936 1.00 0.00 C ATOM 515 SD MET A 33 -47.557 -17.482 -9.652 1.00 0.00 S ATOM 516 CE MET A 33 -46.426 -16.790 -10.883 1.00 0.00 C ATOM 0 H MET A 33 -51.340 -15.874 -9.337 1.00 0.00 H new ATOM 0 HA MET A 33 -50.374 -14.972 -11.867 1.00 0.00 H new ATOM 0 HB2 MET A 33 -50.326 -17.795 -10.702 1.00 0.00 H new ATOM 0 HB3 MET A 33 -49.236 -17.151 -11.914 1.00 0.00 H new ATOM 0 HG2 MET A 33 -48.544 -15.355 -10.219 1.00 0.00 H new ATOM 0 HG3 MET A 33 -49.499 -16.200 -9.018 1.00 0.00 H new ATOM 0 HE1 MET A 33 -45.555 -17.438 -10.982 1.00 0.00 H new ATOM 0 HE2 MET A 33 -46.935 -16.717 -11.844 1.00 0.00 H new ATOM 0 HE3 MET A 33 -46.106 -15.798 -10.566 1.00 0.00 H new ATOM 526 N GLN A 34 -52.815 -17.181 -11.945 1.00 0.00 N ATOM 527 CA GLN A 34 -53.813 -17.794 -12.867 1.00 0.00 C ATOM 528 C GLN A 34 -54.630 -16.695 -13.549 1.00 0.00 C ATOM 529 O GLN A 34 -54.865 -16.736 -14.740 1.00 0.00 O ATOM 530 CB GLN A 34 -54.750 -18.704 -12.070 1.00 0.00 C ATOM 531 CG GLN A 34 -53.997 -19.966 -11.646 1.00 0.00 C ATOM 532 CD GLN A 34 -54.898 -20.822 -10.754 1.00 0.00 C ATOM 533 OE1 GLN A 34 -55.953 -20.386 -10.339 1.00 0.00 O ATOM 534 NE2 GLN A 34 -54.524 -22.032 -10.440 1.00 0.00 N ATOM 0 H GLN A 34 -52.944 -17.401 -10.957 1.00 0.00 H new ATOM 0 HA GLN A 34 -53.292 -18.379 -13.625 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -55.124 -18.178 -11.191 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -55.617 -18.971 -12.675 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -53.693 -20.534 -12.525 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -53.087 -19.697 -11.110 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -53.638 -22.399 -10.788 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -55.118 -22.611 -9.846 1.00 0.00 H new ATOM 543 N ARG A 35 -55.073 -15.717 -12.807 1.00 0.00 N ATOM 544 CA ARG A 35 -55.882 -14.625 -13.421 1.00 0.00 C ATOM 545 C ARG A 35 -55.024 -13.838 -14.415 1.00 0.00 C ATOM 546 O ARG A 35 -55.382 -13.676 -15.564 1.00 0.00 O ATOM 547 CB ARG A 35 -56.380 -13.684 -12.324 1.00 0.00 C ATOM 548 CG ARG A 35 -57.624 -14.285 -11.663 1.00 0.00 C ATOM 549 CD ARG A 35 -58.285 -13.233 -10.770 1.00 0.00 C ATOM 550 NE ARG A 35 -57.270 -12.662 -9.841 1.00 0.00 N ATOM 551 CZ ARG A 35 -57.467 -11.492 -9.298 1.00 0.00 C ATOM 552 NH1 ARG A 35 -57.982 -10.523 -10.005 1.00 0.00 N ATOM 553 NH2 ARG A 35 -57.147 -11.290 -8.050 1.00 0.00 N ATOM 0 H ARG A 35 -54.910 -15.627 -11.804 1.00 0.00 H new ATOM 0 HA ARG A 35 -56.732 -15.060 -13.946 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -55.598 -13.529 -11.580 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -56.615 -12.707 -12.747 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -58.326 -14.624 -12.425 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -57.349 -15.158 -11.072 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -58.719 -12.442 -11.382 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -59.101 -13.682 -10.203 1.00 0.00 H new ATOM 0 HE ARG A 35 -56.421 -13.186 -9.629 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -58.230 -10.681 -10.982 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -58.136 -9.608 -9.581 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -56.743 -12.047 -7.498 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -57.301 -10.375 -7.626 1.00 0.00 H new ATOM 567 N ILE A 36 -53.899 -13.343 -13.981 1.00 0.00 N ATOM 568 CA ILE A 36 -53.025 -12.561 -14.901 1.00 0.00 C ATOM 569 C ILE A 36 -52.484 -13.471 -16.006 1.00 0.00 C ATOM 570 O ILE A 36 -51.969 -13.009 -17.004 1.00 0.00 O ATOM 571 CB ILE A 36 -51.857 -11.970 -14.109 1.00 0.00 C ATOM 572 CG1 ILE A 36 -51.034 -13.104 -13.492 1.00 0.00 C ATOM 573 CG2 ILE A 36 -52.401 -11.066 -13.000 1.00 0.00 C ATOM 574 CD1 ILE A 36 -50.158 -12.550 -12.366 1.00 0.00 C ATOM 0 H ILE A 36 -53.546 -13.446 -13.029 1.00 0.00 H new ATOM 0 HA ILE A 36 -53.606 -11.758 -15.353 1.00 0.00 H new ATOM 0 HB ILE A 36 -51.223 -11.385 -14.775 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -51.696 -13.878 -13.104 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -50.411 -13.571 -14.255 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -51.570 -10.644 -12.434 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -52.986 -10.260 -13.442 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -53.035 -11.650 -12.333 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -49.573 -13.359 -11.928 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -49.485 -11.792 -12.768 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -50.791 -12.104 -11.599 1.00 0.00 H new ATOM 586 N MET A 37 -52.596 -14.761 -15.840 1.00 0.00 N ATOM 587 CA MET A 37 -52.084 -15.690 -16.889 1.00 0.00 C ATOM 588 C MET A 37 -53.262 -16.286 -17.661 1.00 0.00 C ATOM 589 O MET A 37 -53.111 -16.766 -18.768 1.00 0.00 O ATOM 590 CB MET A 37 -51.281 -16.814 -16.232 1.00 0.00 C ATOM 591 CG MET A 37 -49.952 -16.256 -15.717 1.00 0.00 C ATOM 592 SD MET A 37 -48.787 -17.616 -15.458 1.00 0.00 S ATOM 593 CE MET A 37 -49.782 -18.545 -14.266 1.00 0.00 C ATOM 0 H MET A 37 -53.018 -15.211 -15.027 1.00 0.00 H new ATOM 0 HA MET A 37 -51.440 -15.141 -17.576 1.00 0.00 H new ATOM 0 HB2 MET A 37 -51.849 -17.248 -15.409 1.00 0.00 H new ATOM 0 HB3 MET A 37 -51.098 -17.613 -16.950 1.00 0.00 H new ATOM 0 HG2 MET A 37 -49.542 -15.544 -16.433 1.00 0.00 H new ATOM 0 HG3 MET A 37 -50.110 -15.715 -14.784 1.00 0.00 H new ATOM 0 HE1 MET A 37 -49.145 -19.247 -13.729 1.00 0.00 H new ATOM 0 HE2 MET A 37 -50.239 -17.855 -13.557 1.00 0.00 H new ATOM 0 HE3 MET A 37 -50.563 -19.093 -14.793 1.00 0.00 H new ATOM 603 N GLY A 38 -54.435 -16.261 -17.090 1.00 0.00 N ATOM 604 CA GLY A 38 -55.619 -16.827 -17.795 1.00 0.00 C ATOM 605 C GLY A 38 -55.931 -15.971 -19.025 1.00 0.00 C ATOM 606 O GLY A 38 -56.510 -16.437 -19.987 1.00 0.00 O ATOM 0 H GLY A 38 -54.624 -15.873 -16.166 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -55.421 -17.856 -18.094 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -56.479 -16.850 -17.126 1.00 0.00 H new ATOM 865 N ASP A 55 -63.328 -21.644 -6.911 1.00 0.00 N ATOM 866 CA ASP A 55 -63.964 -20.807 -5.854 1.00 0.00 C ATOM 867 C ASP A 55 -63.293 -21.086 -4.508 1.00 0.00 C ATOM 868 O ASP A 55 -63.291 -20.256 -3.621 1.00 0.00 O ATOM 869 CB ASP A 55 -65.453 -21.147 -5.762 1.00 0.00 C ATOM 870 CG ASP A 55 -66.161 -20.693 -7.040 1.00 0.00 C ATOM 871 OD1 ASP A 55 -65.548 -19.970 -7.808 1.00 0.00 O ATOM 872 OD2 ASP A 55 -67.304 -21.076 -7.229 1.00 0.00 O ATOM 0 HA ASP A 55 -63.846 -19.753 -6.106 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -65.584 -22.220 -5.623 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -65.896 -20.657 -4.895 1.00 0.00 H new ATOM 877 N GLN A 56 -62.722 -22.249 -4.349 1.00 0.00 N ATOM 878 CA GLN A 56 -62.051 -22.579 -3.060 1.00 0.00 C ATOM 879 C GLN A 56 -60.871 -21.631 -2.839 1.00 0.00 C ATOM 880 O GLN A 56 -60.568 -21.251 -1.726 1.00 0.00 O ATOM 881 CB GLN A 56 -61.543 -24.021 -3.105 1.00 0.00 C ATOM 882 CG GLN A 56 -62.720 -24.971 -3.335 1.00 0.00 C ATOM 883 CD GLN A 56 -62.296 -26.401 -2.993 1.00 0.00 C ATOM 884 OE1 GLN A 56 -63.079 -27.172 -2.476 1.00 0.00 O ATOM 885 NE2 GLN A 56 -61.080 -26.790 -3.263 1.00 0.00 N ATOM 0 H GLN A 56 -62.691 -22.984 -5.055 1.00 0.00 H new ATOM 0 HA GLN A 56 -62.763 -22.468 -2.242 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -60.809 -24.134 -3.903 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -61.039 -24.269 -2.171 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -63.567 -24.674 -2.717 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -63.048 -24.916 -4.373 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -60.422 -26.143 -3.697 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -60.787 -27.741 -3.040 1.00 0.00 H new ATOM 894 N GLN A 57 -60.203 -21.246 -3.892 1.00 0.00 N ATOM 895 CA GLN A 57 -59.042 -20.324 -3.742 1.00 0.00 C ATOM 896 C GLN A 57 -59.437 -19.148 -2.845 1.00 0.00 C ATOM 897 O GLN A 57 -58.708 -18.763 -1.953 1.00 0.00 O ATOM 898 CB GLN A 57 -58.625 -19.801 -5.118 1.00 0.00 C ATOM 899 CG GLN A 57 -58.171 -20.973 -5.990 1.00 0.00 C ATOM 900 CD GLN A 57 -57.831 -20.464 -7.392 1.00 0.00 C ATOM 901 OE1 GLN A 57 -58.225 -19.379 -7.770 1.00 0.00 O ATOM 902 NE2 GLN A 57 -57.109 -21.209 -8.185 1.00 0.00 N ATOM 0 H GLN A 57 -60.411 -21.530 -4.849 1.00 0.00 H new ATOM 0 HA GLN A 57 -58.208 -20.860 -3.290 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -59.460 -19.283 -5.591 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -57.818 -19.076 -5.015 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -57.300 -21.455 -5.545 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -58.958 -21.725 -6.046 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -56.778 -22.120 -7.868 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -56.876 -20.880 -9.122 1.00 0.00 H new ATOM 911 N GLN A 58 -60.586 -18.573 -3.075 1.00 0.00 N ATOM 912 CA GLN A 58 -61.025 -17.424 -2.236 1.00 0.00 C ATOM 913 C GLN A 58 -60.837 -17.771 -0.758 1.00 0.00 C ATOM 914 O GLN A 58 -60.405 -16.954 0.031 1.00 0.00 O ATOM 915 CB GLN A 58 -62.503 -17.130 -2.504 1.00 0.00 C ATOM 916 CG GLN A 58 -62.706 -16.852 -3.995 1.00 0.00 C ATOM 917 CD GLN A 58 -64.061 -16.172 -4.205 1.00 0.00 C ATOM 918 OE1 GLN A 58 -64.203 -15.330 -5.069 1.00 0.00 O ATOM 919 NE2 GLN A 58 -65.069 -16.505 -3.447 1.00 0.00 N ATOM 0 H GLN A 58 -61.239 -18.850 -3.808 1.00 0.00 H new ATOM 0 HA GLN A 58 -60.428 -16.546 -2.484 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -63.115 -17.977 -2.195 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -62.826 -16.271 -1.916 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -61.905 -16.215 -4.370 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -62.663 -17.784 -4.559 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -64.950 -17.212 -2.722 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -65.976 -16.058 -3.580 1.00 0.00 H new ATOM 928 N ARG A 59 -61.159 -18.977 -0.376 1.00 0.00 N ATOM 929 CA ARG A 59 -61.001 -19.373 1.051 1.00 0.00 C ATOM 930 C ARG A 59 -59.596 -19.009 1.530 1.00 0.00 C ATOM 931 O ARG A 59 -59.382 -18.716 2.689 1.00 0.00 O ATOM 932 CB ARG A 59 -61.214 -20.882 1.188 1.00 0.00 C ATOM 933 CG ARG A 59 -62.627 -21.240 0.724 1.00 0.00 C ATOM 934 CD ARG A 59 -62.858 -22.742 0.907 1.00 0.00 C ATOM 935 NE ARG A 59 -64.167 -23.119 0.302 1.00 0.00 N ATOM 936 CZ ARG A 59 -65.227 -23.227 1.057 1.00 0.00 C ATOM 937 NH1 ARG A 59 -65.526 -24.374 1.602 1.00 0.00 N ATOM 938 NH2 ARG A 59 -65.987 -22.186 1.266 1.00 0.00 N ATOM 0 H ARG A 59 -61.524 -19.704 -0.991 1.00 0.00 H new ATOM 0 HA ARG A 59 -61.737 -18.846 1.658 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -60.477 -21.420 0.592 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -61.071 -21.188 2.224 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -63.363 -20.675 1.296 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -62.758 -20.966 -0.323 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -62.052 -23.305 0.437 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -62.848 -22.996 1.967 1.00 0.00 H new ATOM 0 HE ARG A 59 -64.235 -23.292 -0.701 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -64.932 -25.187 1.438 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -66.354 -24.458 2.192 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -65.753 -21.290 0.840 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -66.815 -22.269 1.856 1.00 0.00 H new ATOM 952 N CYS A 60 -58.636 -19.018 0.648 1.00 0.00 N ATOM 953 CA CYS A 60 -57.248 -18.666 1.058 1.00 0.00 C ATOM 954 C CYS A 60 -57.290 -17.406 1.925 1.00 0.00 C ATOM 955 O CYS A 60 -57.378 -17.475 3.136 1.00 0.00 O ATOM 956 CB CYS A 60 -56.401 -18.405 -0.191 1.00 0.00 C ATOM 957 SG CYS A 60 -54.843 -17.613 0.281 1.00 0.00 S ATOM 0 H CYS A 60 -58.752 -19.253 -0.338 1.00 0.00 H new ATOM 0 HA CYS A 60 -56.808 -19.486 1.625 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -56.201 -19.343 -0.709 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -56.948 -17.768 -0.886 1.00 0.00 H new ATOM 962 N CYS A 61 -57.228 -16.258 1.313 1.00 0.00 N ATOM 963 CA CYS A 61 -57.266 -14.993 2.100 1.00 0.00 C ATOM 964 C CYS A 61 -58.330 -15.110 3.194 1.00 0.00 C ATOM 965 O CYS A 61 -58.143 -14.659 4.306 1.00 0.00 O ATOM 966 CB CYS A 61 -57.606 -13.822 1.177 1.00 0.00 C ATOM 967 SG CYS A 61 -56.272 -12.599 1.240 1.00 0.00 S ATOM 0 H CYS A 61 -57.153 -16.140 0.303 1.00 0.00 H new ATOM 0 HA CYS A 61 -56.291 -14.819 2.556 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -57.741 -14.177 0.155 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -58.547 -13.365 1.482 1.00 0.00 H new ATOM 972 N ASP A 62 -59.444 -15.714 2.885 1.00 0.00 N ATOM 973 CA ASP A 62 -60.520 -15.860 3.907 1.00 0.00 C ATOM 974 C ASP A 62 -59.989 -16.663 5.094 1.00 0.00 C ATOM 975 O ASP A 62 -60.319 -16.399 6.234 1.00 0.00 O ATOM 976 CB ASP A 62 -61.714 -16.590 3.291 1.00 0.00 C ATOM 977 CG ASP A 62 -62.323 -15.728 2.183 1.00 0.00 C ATOM 978 OD1 ASP A 62 -61.969 -14.562 2.105 1.00 0.00 O ATOM 979 OD2 ASP A 62 -63.132 -16.246 1.431 1.00 0.00 O ATOM 0 H ASP A 62 -59.656 -16.113 1.970 1.00 0.00 H new ATOM 0 HA ASP A 62 -60.834 -14.873 4.247 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -61.397 -17.551 2.886 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -62.461 -16.798 4.057 1.00 0.00 H new ATOM 984 N GLU A 63 -59.165 -17.639 4.838 1.00 0.00 N ATOM 985 CA GLU A 63 -58.608 -18.454 5.953 1.00 0.00 C ATOM 986 C GLU A 63 -57.740 -17.561 6.840 1.00 0.00 C ATOM 987 O GLU A 63 -57.882 -17.539 8.046 1.00 0.00 O ATOM 988 CB GLU A 63 -57.759 -19.591 5.381 1.00 0.00 C ATOM 989 CG GLU A 63 -58.674 -20.707 4.875 1.00 0.00 C ATOM 990 CD GLU A 63 -57.827 -21.904 4.440 1.00 0.00 C ATOM 991 OE1 GLU A 63 -56.615 -21.822 4.560 1.00 0.00 O ATOM 992 OE2 GLU A 63 -58.404 -22.883 3.994 1.00 0.00 O ATOM 0 H GLU A 63 -58.853 -17.908 3.905 1.00 0.00 H new ATOM 0 HA GLU A 63 -59.422 -18.876 6.543 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -57.136 -19.220 4.567 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -57.086 -19.977 6.147 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -59.369 -21.006 5.660 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -59.273 -20.349 4.038 1.00 0.00 H new ATOM 999 N LEU A 64 -56.841 -16.823 6.249 1.00 0.00 N ATOM 1000 CA LEU A 64 -55.961 -15.929 7.052 1.00 0.00 C ATOM 1001 C LEU A 64 -56.788 -14.786 7.649 1.00 0.00 C ATOM 1002 O LEU A 64 -56.277 -13.949 8.365 1.00 0.00 O ATOM 1003 CB LEU A 64 -54.869 -15.347 6.151 1.00 0.00 C ATOM 1004 CG LEU A 64 -54.143 -16.484 5.430 1.00 0.00 C ATOM 1005 CD1 LEU A 64 -52.971 -15.912 4.629 1.00 0.00 C ATOM 1006 CD2 LEU A 64 -53.615 -17.487 6.457 1.00 0.00 C ATOM 0 H LEU A 64 -56.678 -16.801 5.242 1.00 0.00 H new ATOM 0 HA LEU A 64 -55.505 -16.504 7.858 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -55.308 -14.663 5.425 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -54.162 -14.769 6.746 1.00 0.00 H new ATOM 0 HG LEU A 64 -54.836 -16.986 4.755 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -52.453 -16.721 4.115 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -53.346 -15.197 3.896 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -52.279 -15.410 5.305 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -53.098 -18.297 5.942 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -52.922 -16.985 7.132 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -54.448 -17.895 7.029 1.00 0.00 H new ATOM 1018 N ASN A 65 -58.062 -14.742 7.363 1.00 0.00 N ATOM 1019 CA ASN A 65 -58.912 -13.650 7.920 1.00 0.00 C ATOM 1020 C ASN A 65 -59.771 -14.200 9.061 1.00 0.00 C ATOM 1021 O ASN A 65 -60.411 -13.459 9.779 1.00 0.00 O ATOM 1022 CB ASN A 65 -59.824 -13.101 6.821 1.00 0.00 C ATOM 1023 CG ASN A 65 -58.978 -12.641 5.635 1.00 0.00 C ATOM 1024 OD1 ASN A 65 -57.833 -12.266 5.798 1.00 0.00 O ATOM 1025 ND2 ASN A 65 -59.494 -12.654 4.436 1.00 0.00 N ATOM 0 H ASN A 65 -58.550 -15.413 6.769 1.00 0.00 H new ATOM 0 HA ASN A 65 -58.272 -12.852 8.297 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -60.529 -13.869 6.502 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -60.413 -12.268 7.205 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -58.937 -12.350 3.638 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -60.454 -12.968 4.297 1.00 0.00 H new ATOM 1032 N GLU A 66 -59.793 -15.494 9.233 1.00 0.00 N ATOM 1033 CA GLU A 66 -60.617 -16.083 10.328 1.00 0.00 C ATOM 1034 C GLU A 66 -59.897 -17.294 10.929 1.00 0.00 C ATOM 1035 O GLU A 66 -60.018 -17.578 12.103 1.00 0.00 O ATOM 1036 CB GLU A 66 -61.968 -16.526 9.763 1.00 0.00 C ATOM 1037 CG GLU A 66 -62.629 -15.352 9.039 1.00 0.00 C ATOM 1038 CD GLU A 66 -63.900 -15.835 8.338 1.00 0.00 C ATOM 1039 OE1 GLU A 66 -64.088 -17.039 8.260 1.00 0.00 O ATOM 1040 OE2 GLU A 66 -64.663 -14.995 7.891 1.00 0.00 O ATOM 0 H GLU A 66 -59.278 -16.167 8.665 1.00 0.00 H new ATOM 0 HA GLU A 66 -60.769 -15.334 11.105 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -61.830 -17.360 9.075 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -62.612 -16.880 10.568 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -62.871 -14.562 9.750 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -61.939 -14.925 8.311 1.00 0.00 H new ATOM 1093 N THR A 70 -54.774 -13.960 10.996 1.00 0.00 N ATOM 1094 CA THR A 70 -53.626 -13.108 10.570 1.00 0.00 C ATOM 1095 C THR A 70 -54.021 -11.633 10.667 1.00 0.00 C ATOM 1096 O THR A 70 -55.187 -11.291 10.674 1.00 0.00 O ATOM 1097 CB THR A 70 -53.253 -13.442 9.123 1.00 0.00 C ATOM 1098 OG1 THR A 70 -54.167 -12.807 8.240 1.00 0.00 O ATOM 1099 CG2 THR A 70 -53.308 -14.957 8.915 1.00 0.00 C ATOM 0 HA THR A 70 -52.772 -13.298 11.219 1.00 0.00 H new ATOM 0 HB THR A 70 -52.243 -13.086 8.918 1.00 0.00 H new ATOM 0 HG1 THR A 70 -55.078 -12.901 8.589 1.00 0.00 H new ATOM 0 HG21 THR A 70 -53.042 -15.193 7.885 1.00 0.00 H new ATOM 0 HG22 THR A 70 -52.605 -15.443 9.591 1.00 0.00 H new ATOM 0 HG23 THR A 70 -54.316 -15.316 9.121 1.00 0.00 H new ATOM 1107 N GLN A 71 -53.058 -10.754 10.743 1.00 0.00 N ATOM 1108 CA GLN A 71 -53.381 -9.302 10.840 1.00 0.00 C ATOM 1109 C GLN A 71 -52.084 -8.489 10.842 1.00 0.00 C ATOM 1110 O GLN A 71 -52.028 -7.392 10.322 1.00 0.00 O ATOM 1111 CB GLN A 71 -54.151 -9.036 12.134 1.00 0.00 C ATOM 1112 CG GLN A 71 -54.440 -7.537 12.255 1.00 0.00 C ATOM 1113 CD GLN A 71 -54.968 -7.230 13.659 1.00 0.00 C ATOM 1114 OE1 GLN A 71 -54.367 -7.610 14.644 1.00 0.00 O ATOM 1115 NE2 GLN A 71 -56.076 -6.553 13.791 1.00 0.00 N ATOM 0 H GLN A 71 -52.063 -10.979 10.742 1.00 0.00 H new ATOM 0 HA GLN A 71 -53.992 -9.009 9.987 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -55.084 -9.599 12.137 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -53.571 -9.376 12.992 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -53.533 -6.964 12.063 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -55.172 -7.235 11.506 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -56.580 -6.234 12.964 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -56.437 -6.343 14.721 1.00 0.00 H new ATOM 1124 N GLY A 72 -51.042 -9.015 11.427 1.00 0.00 N ATOM 1125 CA GLY A 72 -49.753 -8.268 11.463 1.00 0.00 C ATOM 1126 C GLY A 72 -48.745 -8.938 10.526 1.00 0.00 C ATOM 1127 O GLY A 72 -48.883 -10.093 10.173 1.00 0.00 O ATOM 0 H GLY A 72 -51.028 -9.928 11.881 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -49.912 -7.233 11.162 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -49.361 -8.247 12.480 1.00 0.00 H new ATOM 1131 N CYS A 73 -47.731 -8.223 10.123 1.00 0.00 N ATOM 1132 CA CYS A 73 -46.715 -8.817 9.210 1.00 0.00 C ATOM 1133 C CYS A 73 -47.366 -9.144 7.863 1.00 0.00 C ATOM 1134 O CYS A 73 -46.781 -9.796 7.021 1.00 0.00 O ATOM 1135 CB CYS A 73 -46.156 -10.098 9.832 1.00 0.00 C ATOM 1136 SG CYS A 73 -44.466 -9.803 10.411 1.00 0.00 S ATOM 0 H CYS A 73 -47.562 -7.252 10.387 1.00 0.00 H new ATOM 0 HA CYS A 73 -45.904 -8.104 9.057 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -46.786 -10.416 10.663 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -46.165 -10.904 9.099 1.00 0.00 H new ATOM 1141 N MET A 74 -48.573 -8.695 7.654 1.00 0.00 N ATOM 1142 CA MET A 74 -49.261 -8.980 6.364 1.00 0.00 C ATOM 1143 C MET A 74 -48.280 -8.767 5.209 1.00 0.00 C ATOM 1144 O MET A 74 -48.054 -9.649 4.404 1.00 0.00 O ATOM 1145 CB MET A 74 -50.455 -8.035 6.203 1.00 0.00 C ATOM 1146 CG MET A 74 -51.359 -8.147 7.433 1.00 0.00 C ATOM 1147 SD MET A 74 -52.968 -7.402 7.069 1.00 0.00 S ATOM 1148 CE MET A 74 -53.838 -8.932 6.647 1.00 0.00 C ATOM 0 H MET A 74 -49.112 -8.143 8.321 1.00 0.00 H new ATOM 0 HA MET A 74 -49.613 -10.012 6.357 1.00 0.00 H new ATOM 0 HB2 MET A 74 -50.108 -7.009 6.085 1.00 0.00 H new ATOM 0 HB3 MET A 74 -51.014 -8.288 5.302 1.00 0.00 H new ATOM 0 HG2 MET A 74 -51.485 -9.193 7.711 1.00 0.00 H new ATOM 0 HG3 MET A 74 -50.898 -7.645 8.283 1.00 0.00 H new ATOM 0 HE1 MET A 74 -54.871 -8.703 6.384 1.00 0.00 H new ATOM 0 HE2 MET A 74 -53.345 -9.409 5.800 1.00 0.00 H new ATOM 0 HE3 MET A 74 -53.823 -9.607 7.503 1.00 0.00 H new ATOM 1158 N CYS A 75 -47.694 -7.604 5.122 1.00 0.00 N ATOM 1159 CA CYS A 75 -46.728 -7.341 4.019 1.00 0.00 C ATOM 1160 C CYS A 75 -45.752 -8.512 3.906 1.00 0.00 C ATOM 1161 O CYS A 75 -45.543 -9.058 2.840 1.00 0.00 O ATOM 1162 CB CYS A 75 -45.952 -6.056 4.316 1.00 0.00 C ATOM 1163 SG CYS A 75 -45.130 -5.487 2.808 1.00 0.00 S ATOM 0 H CYS A 75 -47.842 -6.827 5.766 1.00 0.00 H new ATOM 0 HA CYS A 75 -47.270 -7.229 3.080 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -46.629 -5.287 4.686 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -45.215 -6.236 5.099 1.00 0.00 H new ATOM 0 HG CYS A 75 -44.472 -4.394 3.058 1.00 0.00 H new ATOM 1168 N GLU A 76 -45.153 -8.908 4.997 1.00 0.00 N ATOM 1169 CA GLU A 76 -44.195 -10.048 4.945 1.00 0.00 C ATOM 1170 C GLU A 76 -44.916 -11.284 4.404 1.00 0.00 C ATOM 1171 O GLU A 76 -44.300 -12.225 3.942 1.00 0.00 O ATOM 1172 CB GLU A 76 -43.665 -10.338 6.351 1.00 0.00 C ATOM 1173 CG GLU A 76 -42.991 -9.084 6.910 1.00 0.00 C ATOM 1174 CD GLU A 76 -42.320 -9.415 8.245 1.00 0.00 C ATOM 1175 OE1 GLU A 76 -42.327 -10.578 8.617 1.00 0.00 O ATOM 1176 OE2 GLU A 76 -41.812 -8.502 8.873 1.00 0.00 O ATOM 0 H GLU A 76 -45.286 -8.492 5.919 1.00 0.00 H new ATOM 0 HA GLU A 76 -43.360 -9.795 4.292 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -44.482 -10.646 7.003 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -42.954 -11.163 6.320 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -42.251 -8.710 6.202 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -43.728 -8.293 7.048 1.00 0.00 H new ATOM 1183 N ALA A 77 -46.221 -11.283 4.449 1.00 0.00 N ATOM 1184 CA ALA A 77 -46.983 -12.452 3.930 1.00 0.00 C ATOM 1185 C ALA A 77 -47.039 -12.373 2.405 1.00 0.00 C ATOM 1186 O ALA A 77 -46.581 -13.260 1.711 1.00 0.00 O ATOM 1187 CB ALA A 77 -48.404 -12.432 4.498 1.00 0.00 C ATOM 0 H ALA A 77 -46.791 -10.524 4.822 1.00 0.00 H new ATOM 0 HA ALA A 77 -46.490 -13.376 4.232 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -48.960 -13.288 4.117 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -48.362 -12.482 5.586 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -48.904 -11.511 4.196 1.00 0.00 H new ATOM 1193 N LEU A 78 -47.589 -11.316 1.875 1.00 0.00 N ATOM 1194 CA LEU A 78 -47.661 -11.182 0.394 1.00 0.00 C ATOM 1195 C LEU A 78 -46.251 -11.315 -0.182 1.00 0.00 C ATOM 1196 O LEU A 78 -46.028 -12.015 -1.149 1.00 0.00 O ATOM 1197 CB LEU A 78 -48.237 -9.813 0.028 1.00 0.00 C ATOM 1198 CG LEU A 78 -48.437 -9.733 -1.485 1.00 0.00 C ATOM 1199 CD1 LEU A 78 -49.599 -10.640 -1.895 1.00 0.00 C ATOM 1200 CD2 LEU A 78 -48.752 -8.290 -1.884 1.00 0.00 C ATOM 0 H LEU A 78 -47.991 -10.541 2.402 1.00 0.00 H new ATOM 0 HA LEU A 78 -48.305 -11.960 -0.016 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -49.187 -9.657 0.540 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -47.563 -9.023 0.359 1.00 0.00 H new ATOM 0 HG LEU A 78 -47.526 -10.058 -1.988 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -49.742 -10.583 -2.974 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -49.375 -11.669 -1.612 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -50.509 -10.315 -1.391 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -48.894 -8.234 -2.963 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -49.662 -7.964 -1.380 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -47.924 -7.643 -1.593 1.00 0.00 H new ATOM 1212 N GLN A 79 -45.297 -10.650 0.411 1.00 0.00 N ATOM 1213 CA GLN A 79 -43.901 -10.741 -0.096 1.00 0.00 C ATOM 1214 C GLN A 79 -43.486 -12.209 -0.162 1.00 0.00 C ATOM 1215 O GLN A 79 -42.922 -12.663 -1.137 1.00 0.00 O ATOM 1216 CB GLN A 79 -42.961 -9.986 0.848 1.00 0.00 C ATOM 1217 CG GLN A 79 -43.289 -8.492 0.807 1.00 0.00 C ATOM 1218 CD GLN A 79 -42.385 -7.745 1.790 1.00 0.00 C ATOM 1219 OE1 GLN A 79 -41.875 -8.327 2.727 1.00 0.00 O ATOM 1220 NE2 GLN A 79 -42.162 -6.471 1.614 1.00 0.00 N ATOM 0 H GLN A 79 -45.425 -10.048 1.224 1.00 0.00 H new ATOM 0 HA GLN A 79 -43.844 -10.298 -1.090 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -43.068 -10.365 1.864 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -41.924 -10.150 0.554 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -43.146 -8.105 -0.202 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -44.336 -8.331 1.065 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -42.590 -5.982 0.828 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -41.560 -5.964 2.263 1.00 0.00 H new ATOM 1229 N GLN A 80 -43.769 -12.959 0.867 1.00 0.00 N ATOM 1230 CA GLN A 80 -43.396 -14.401 0.859 1.00 0.00 C ATOM 1231 C GLN A 80 -44.006 -15.068 -0.375 1.00 0.00 C ATOM 1232 O GLN A 80 -43.341 -15.787 -1.095 1.00 0.00 O ATOM 1233 CB GLN A 80 -43.933 -15.077 2.122 1.00 0.00 C ATOM 1234 CG GLN A 80 -43.396 -16.507 2.202 1.00 0.00 C ATOM 1235 CD GLN A 80 -41.882 -16.472 2.421 1.00 0.00 C ATOM 1236 OE1 GLN A 80 -41.395 -15.745 3.264 1.00 0.00 O ATOM 1237 NE2 GLN A 80 -41.112 -17.232 1.691 1.00 0.00 N ATOM 0 H GLN A 80 -44.241 -12.636 1.711 1.00 0.00 H new ATOM 0 HA GLN A 80 -42.311 -14.499 0.833 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -43.631 -14.514 3.005 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -45.023 -15.087 2.107 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -43.880 -17.043 3.018 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -43.629 -17.046 1.284 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -41.521 -17.842 0.983 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -40.101 -17.216 1.828 1.00 0.00 H new ATOM 1246 N ILE A 81 -45.263 -14.829 -0.628 1.00 0.00 N ATOM 1247 CA ILE A 81 -45.910 -15.444 -1.820 1.00 0.00 C ATOM 1248 C ILE A 81 -45.020 -15.217 -3.042 1.00 0.00 C ATOM 1249 O ILE A 81 -44.528 -16.150 -3.647 1.00 0.00 O ATOM 1250 CB ILE A 81 -47.275 -14.793 -2.050 1.00 0.00 C ATOM 1251 CG1 ILE A 81 -48.194 -15.097 -0.865 1.00 0.00 C ATOM 1252 CG2 ILE A 81 -47.898 -15.350 -3.331 1.00 0.00 C ATOM 1253 CD1 ILE A 81 -49.600 -14.569 -1.159 1.00 0.00 C ATOM 0 H ILE A 81 -45.869 -14.235 -0.062 1.00 0.00 H new ATOM 0 HA ILE A 81 -46.045 -16.513 -1.658 1.00 0.00 H new ATOM 0 HB ILE A 81 -47.149 -13.715 -2.145 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -48.228 -16.171 -0.684 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -47.802 -14.634 0.041 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -48.871 -14.886 -3.494 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -47.246 -15.133 -4.177 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -48.022 -16.429 -3.236 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -50.254 -14.786 -0.314 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -49.558 -13.491 -1.318 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -49.991 -15.053 -2.054 1.00 0.00 H new ATOM 1265 N MET A 82 -44.803 -13.983 -3.407 1.00 0.00 N ATOM 1266 CA MET A 82 -43.939 -13.696 -4.585 1.00 0.00 C ATOM 1267 C MET A 82 -42.669 -14.541 -4.499 1.00 0.00 C ATOM 1268 O MET A 82 -42.308 -15.236 -5.426 1.00 0.00 O ATOM 1269 CB MET A 82 -43.565 -12.212 -4.592 1.00 0.00 C ATOM 1270 CG MET A 82 -44.834 -11.365 -4.481 1.00 0.00 C ATOM 1271 SD MET A 82 -46.023 -11.896 -5.738 1.00 0.00 S ATOM 1272 CE MET A 82 -45.038 -11.440 -7.187 1.00 0.00 C ATOM 0 H MET A 82 -45.187 -13.162 -2.940 1.00 0.00 H new ATOM 0 HA MET A 82 -44.477 -13.939 -5.501 1.00 0.00 H new ATOM 0 HB2 MET A 82 -42.894 -11.991 -3.762 1.00 0.00 H new ATOM 0 HB3 MET A 82 -43.030 -11.965 -5.509 1.00 0.00 H new ATOM 0 HG2 MET A 82 -45.268 -11.469 -3.487 1.00 0.00 H new ATOM 0 HG3 MET A 82 -44.593 -10.310 -4.615 1.00 0.00 H new ATOM 0 HE1 MET A 82 -45.611 -10.761 -7.818 1.00 0.00 H new ATOM 0 HE2 MET A 82 -44.121 -10.948 -6.863 1.00 0.00 H new ATOM 0 HE3 MET A 82 -44.788 -12.337 -7.754 1.00 0.00 H new ATOM 1282 N GLU A 83 -41.993 -14.492 -3.387 1.00 0.00 N ATOM 1283 CA GLU A 83 -40.748 -15.295 -3.238 1.00 0.00 C ATOM 1284 C GLU A 83 -41.108 -16.781 -3.209 1.00 0.00 C ATOM 1285 O GLU A 83 -40.260 -17.639 -3.351 1.00 0.00 O ATOM 1286 CB GLU A 83 -40.047 -14.912 -1.932 1.00 0.00 C ATOM 1287 CG GLU A 83 -39.586 -13.455 -2.010 1.00 0.00 C ATOM 1288 CD GLU A 83 -38.790 -13.104 -0.752 1.00 0.00 C ATOM 1289 OE1 GLU A 83 -38.722 -13.937 0.135 1.00 0.00 O ATOM 1290 OE2 GLU A 83 -38.260 -12.006 -0.698 1.00 0.00 O ATOM 0 H GLU A 83 -42.248 -13.931 -2.574 1.00 0.00 H new ATOM 0 HA GLU A 83 -40.081 -15.097 -4.077 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -40.726 -15.045 -1.090 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -39.193 -15.566 -1.760 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -38.970 -13.304 -2.897 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -40.448 -12.794 -2.104 1.00 0.00 H new ATOM 1297 N ASN A 84 -42.363 -17.088 -3.030 1.00 0.00 N ATOM 1298 CA ASN A 84 -42.782 -18.516 -2.996 1.00 0.00 C ATOM 1299 C ASN A 84 -42.919 -19.039 -4.427 1.00 0.00 C ATOM 1300 O ASN A 84 -42.870 -20.229 -4.669 1.00 0.00 O ATOM 1301 CB ASN A 84 -44.127 -18.638 -2.276 1.00 0.00 C ATOM 1302 CG ASN A 84 -44.452 -20.115 -2.050 1.00 0.00 C ATOM 1303 OD1 ASN A 84 -43.831 -20.769 -1.236 1.00 0.00 O ATOM 1304 ND2 ASN A 84 -45.407 -20.674 -2.742 1.00 0.00 N ATOM 0 H ASN A 84 -43.116 -16.411 -2.906 1.00 0.00 H new ATOM 0 HA ASN A 84 -42.033 -19.102 -2.464 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -44.090 -18.113 -1.322 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -44.912 -18.168 -2.868 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -45.631 -21.659 -2.599 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -45.929 -20.126 -3.426 1.00 0.00 H new ATOM 1311 N GLN A 85 -43.092 -18.161 -5.378 1.00 0.00 N ATOM 1312 CA GLN A 85 -43.230 -18.617 -6.790 1.00 0.00 C ATOM 1313 C GLN A 85 -43.184 -17.410 -7.733 1.00 0.00 C ATOM 1314 O GLN A 85 -44.002 -17.275 -8.620 1.00 0.00 O ATOM 1315 CB GLN A 85 -44.566 -19.344 -6.962 1.00 0.00 C ATOM 1316 CG GLN A 85 -44.589 -20.053 -8.318 1.00 0.00 C ATOM 1317 CD GLN A 85 -45.922 -20.784 -8.488 1.00 0.00 C ATOM 1318 OE1 GLN A 85 -46.624 -21.024 -7.526 1.00 0.00 O ATOM 1319 NE2 GLN A 85 -46.303 -21.151 -9.681 1.00 0.00 N ATOM 0 H GLN A 85 -43.144 -17.152 -5.239 1.00 0.00 H new ATOM 0 HA GLN A 85 -42.410 -19.293 -7.030 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -44.705 -20.068 -6.159 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -45.390 -18.634 -6.897 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -44.454 -19.329 -9.121 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -43.763 -20.761 -8.385 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -45.714 -20.950 -10.489 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -47.190 -21.639 -9.805 1.00 0.00 H new ATOM 1328 N CYS A 86 -42.230 -16.535 -7.554 1.00 0.00 N ATOM 1329 CA CYS A 86 -42.137 -15.346 -8.450 1.00 0.00 C ATOM 1330 C CYS A 86 -41.171 -15.648 -9.596 1.00 0.00 C ATOM 1331 O CYS A 86 -41.058 -14.893 -10.541 1.00 0.00 O ATOM 1332 CB CYS A 86 -41.624 -14.142 -7.657 1.00 0.00 C ATOM 1333 SG CYS A 86 -40.072 -14.576 -6.833 1.00 0.00 S ATOM 0 H CYS A 86 -41.514 -16.592 -6.829 1.00 0.00 H new ATOM 0 HA CYS A 86 -43.124 -15.119 -8.853 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -41.469 -13.294 -8.324 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -42.366 -13.836 -6.920 1.00 0.00 H new ATOM 0 HG CYS A 86 -39.637 -13.552 -6.161 1.00 0.00 H new ATOM 1338 N ASP A 87 -40.469 -16.747 -9.519 1.00 0.00 N ATOM 1339 CA ASP A 87 -39.510 -17.096 -10.604 1.00 0.00 C ATOM 1340 C ASP A 87 -40.182 -16.898 -11.964 1.00 0.00 C ATOM 1341 O ASP A 87 -39.624 -16.298 -12.862 1.00 0.00 O ATOM 1342 CB ASP A 87 -39.083 -18.558 -10.455 1.00 0.00 C ATOM 1343 CG ASP A 87 -38.056 -18.678 -9.327 1.00 0.00 C ATOM 1344 OD1 ASP A 87 -37.623 -17.649 -8.834 1.00 0.00 O ATOM 1345 OD2 ASP A 87 -37.720 -19.796 -8.975 1.00 0.00 O ATOM 0 H ASP A 87 -40.519 -17.417 -8.752 1.00 0.00 H new ATOM 0 HA ASP A 87 -38.634 -16.451 -10.535 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -39.951 -19.181 -10.239 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -38.656 -18.920 -11.390 1.00 0.00 H new ATOM 1350 N ARG A 88 -41.376 -17.400 -12.125 1.00 0.00 N ATOM 1351 CA ARG A 88 -42.081 -17.242 -13.428 1.00 0.00 C ATOM 1352 C ARG A 88 -42.340 -15.757 -13.696 1.00 0.00 C ATOM 1353 O ARG A 88 -42.696 -15.368 -14.790 1.00 0.00 O ATOM 1354 CB ARG A 88 -43.415 -17.991 -13.380 1.00 0.00 C ATOM 1355 CG ARG A 88 -43.153 -19.491 -13.229 1.00 0.00 C ATOM 1356 CD ARG A 88 -44.485 -20.241 -13.189 1.00 0.00 C ATOM 1357 NE ARG A 88 -44.245 -21.664 -12.822 1.00 0.00 N ATOM 1358 CZ ARG A 88 -43.651 -22.465 -13.666 1.00 0.00 C ATOM 1359 NH1 ARG A 88 -44.358 -23.276 -14.403 1.00 0.00 N ATOM 1360 NH2 ARG A 88 -42.350 -22.452 -13.772 1.00 0.00 N ATOM 0 H ARG A 88 -41.893 -17.912 -11.411 1.00 0.00 H new ATOM 0 HA ARG A 88 -41.461 -17.651 -14.226 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -44.017 -17.630 -12.546 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -43.984 -17.800 -14.290 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -42.546 -19.850 -14.060 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -42.589 -19.682 -12.316 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -45.154 -19.776 -12.465 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -44.976 -20.183 -14.160 1.00 0.00 H new ATOM 0 HE ARG A 88 -44.544 -22.013 -11.912 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -45.375 -23.285 -14.320 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -43.894 -23.901 -15.062 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -41.798 -21.817 -13.196 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -41.886 -23.077 -14.431 1.00 0.00 H new ATOM 1374 N LEU A 89 -42.161 -14.926 -12.707 1.00 0.00 N ATOM 1375 CA LEU A 89 -42.396 -13.468 -12.909 1.00 0.00 C ATOM 1376 C LEU A 89 -41.436 -12.939 -13.977 1.00 0.00 C ATOM 1377 O LEU A 89 -41.619 -11.864 -14.512 1.00 0.00 O ATOM 1378 CB LEU A 89 -42.156 -12.723 -11.594 1.00 0.00 C ATOM 1379 CG LEU A 89 -42.734 -11.311 -11.696 1.00 0.00 C ATOM 1380 CD1 LEU A 89 -44.256 -11.392 -11.827 1.00 0.00 C ATOM 1381 CD2 LEU A 89 -42.375 -10.518 -10.439 1.00 0.00 C ATOM 0 H LEU A 89 -41.863 -15.192 -11.769 1.00 0.00 H new ATOM 0 HA LEU A 89 -43.424 -13.309 -13.233 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -42.623 -13.260 -10.769 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -41.088 -12.676 -11.380 1.00 0.00 H new ATOM 0 HG LEU A 89 -42.318 -10.812 -12.571 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -44.669 -10.386 -11.900 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -44.515 -11.956 -12.723 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -44.670 -11.892 -10.952 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -42.788 -9.512 -10.513 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -42.790 -11.017 -9.563 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -41.291 -10.459 -10.343 1.00 0.00 H new ATOM 1393 N GLN A 90 -40.413 -13.687 -14.290 1.00 0.00 N ATOM 1394 CA GLN A 90 -39.443 -13.226 -15.323 1.00 0.00 C ATOM 1395 C GLN A 90 -40.205 -12.683 -16.532 1.00 0.00 C ATOM 1396 O GLN A 90 -39.707 -11.862 -17.276 1.00 0.00 O ATOM 1397 CB GLN A 90 -38.567 -14.402 -15.760 1.00 0.00 C ATOM 1398 CG GLN A 90 -37.569 -14.736 -14.648 1.00 0.00 C ATOM 1399 CD GLN A 90 -36.598 -15.810 -15.142 1.00 0.00 C ATOM 1400 OE1 GLN A 90 -36.823 -16.424 -16.166 1.00 0.00 O ATOM 1401 NE2 GLN A 90 -35.521 -16.066 -14.451 1.00 0.00 N ATOM 0 H GLN A 90 -40.207 -14.596 -13.876 1.00 0.00 H new ATOM 0 HA GLN A 90 -38.815 -12.439 -14.906 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -39.188 -15.271 -15.979 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -38.035 -14.152 -16.678 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -37.020 -13.841 -14.356 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -38.099 -15.088 -13.763 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -35.332 -15.551 -13.591 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -34.868 -16.782 -14.771 1.00 0.00 H new ATOM 1410 N ASP A 91 -41.413 -13.135 -16.736 1.00 0.00 N ATOM 1411 CA ASP A 91 -42.207 -12.646 -17.897 1.00 0.00 C ATOM 1412 C ASP A 91 -42.524 -11.161 -17.708 1.00 0.00 C ATOM 1413 O ASP A 91 -42.794 -10.707 -16.613 1.00 0.00 O ATOM 1414 CB ASP A 91 -43.512 -13.437 -17.992 1.00 0.00 C ATOM 1415 CG ASP A 91 -43.200 -14.901 -18.304 1.00 0.00 C ATOM 1416 OD1 ASP A 91 -42.070 -15.180 -18.671 1.00 0.00 O ATOM 1417 OD2 ASP A 91 -44.095 -15.720 -18.172 1.00 0.00 O ATOM 0 H ASP A 91 -41.884 -13.822 -16.148 1.00 0.00 H new ATOM 0 HA ASP A 91 -41.632 -12.782 -18.813 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -44.063 -13.363 -17.054 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -44.149 -13.016 -18.770 1.00 0.00 H new ATOM 1422 N ARG A 92 -42.491 -10.398 -18.767 1.00 0.00 N ATOM 1423 CA ARG A 92 -42.790 -8.943 -18.647 1.00 0.00 C ATOM 1424 C ARG A 92 -44.284 -8.750 -18.378 1.00 0.00 C ATOM 1425 O ARG A 92 -44.717 -7.700 -17.945 1.00 0.00 O ATOM 1426 CB ARG A 92 -42.411 -8.234 -19.948 1.00 0.00 C ATOM 1427 CG ARG A 92 -42.807 -6.760 -19.862 1.00 0.00 C ATOM 1428 CD ARG A 92 -42.627 -6.102 -21.231 1.00 0.00 C ATOM 1429 NE ARG A 92 -41.247 -6.360 -21.729 1.00 0.00 N ATOM 1430 CZ ARG A 92 -40.786 -5.692 -22.750 1.00 0.00 C ATOM 1431 NH1 ARG A 92 -41.051 -4.420 -22.870 1.00 0.00 N ATOM 1432 NH2 ARG A 92 -40.058 -6.295 -23.650 1.00 0.00 N ATOM 0 H ARG A 92 -42.270 -10.720 -19.709 1.00 0.00 H new ATOM 0 HA ARG A 92 -42.214 -8.521 -17.823 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -41.339 -8.323 -20.124 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -42.913 -8.707 -20.792 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -43.843 -6.669 -19.537 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -42.194 -6.251 -19.119 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -43.359 -6.497 -21.935 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -42.803 -5.029 -21.157 1.00 0.00 H new ATOM 0 HE ARG A 92 -40.662 -7.059 -21.271 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -41.618 -3.949 -22.166 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -40.691 -3.897 -23.668 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -39.849 -7.289 -23.555 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -39.698 -5.772 -24.448 1.00 0.00 H new ATOM 1446 N GLN A 93 -45.077 -9.754 -18.632 1.00 0.00 N ATOM 1447 CA GLN A 93 -46.541 -9.627 -18.392 1.00 0.00 C ATOM 1448 C GLN A 93 -46.832 -9.779 -16.897 1.00 0.00 C ATOM 1449 O GLN A 93 -47.508 -8.963 -16.302 1.00 0.00 O ATOM 1450 CB GLN A 93 -47.280 -10.720 -19.170 1.00 0.00 C ATOM 1451 CG GLN A 93 -48.782 -10.426 -19.161 1.00 0.00 C ATOM 1452 CD GLN A 93 -49.503 -11.431 -20.062 1.00 0.00 C ATOM 1453 OE1 GLN A 93 -48.874 -12.169 -20.794 1.00 0.00 O ATOM 1454 NE2 GLN A 93 -50.806 -11.492 -20.038 1.00 0.00 N ATOM 0 H GLN A 93 -44.774 -10.657 -18.996 1.00 0.00 H new ATOM 0 HA GLN A 93 -46.880 -8.647 -18.728 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -46.913 -10.763 -20.196 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -47.087 -11.694 -18.722 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -49.170 -10.489 -18.144 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -48.967 -9.410 -19.510 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -51.334 -10.873 -19.424 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -51.296 -12.159 -20.634 1.00 0.00 H new ATOM 1463 N MET A 94 -46.328 -10.816 -16.286 1.00 0.00 N ATOM 1464 CA MET A 94 -46.578 -11.019 -14.831 1.00 0.00 C ATOM 1465 C MET A 94 -46.085 -9.798 -14.050 1.00 0.00 C ATOM 1466 O MET A 94 -46.715 -9.354 -13.112 1.00 0.00 O ATOM 1467 CB MET A 94 -45.828 -12.262 -14.351 1.00 0.00 C ATOM 1468 CG MET A 94 -46.514 -13.517 -14.893 1.00 0.00 C ATOM 1469 SD MET A 94 -47.960 -13.903 -13.875 1.00 0.00 S ATOM 1470 CE MET A 94 -47.111 -13.962 -12.277 1.00 0.00 C ATOM 0 H MET A 94 -45.754 -11.532 -16.732 1.00 0.00 H new ATOM 0 HA MET A 94 -47.647 -11.151 -14.665 1.00 0.00 H new ATOM 0 HB2 MET A 94 -44.792 -12.227 -14.689 1.00 0.00 H new ATOM 0 HB3 MET A 94 -45.807 -12.288 -13.262 1.00 0.00 H new ATOM 0 HG2 MET A 94 -46.816 -13.360 -15.928 1.00 0.00 H new ATOM 0 HG3 MET A 94 -45.818 -14.356 -14.888 1.00 0.00 H new ATOM 0 HE1 MET A 94 -47.755 -14.443 -11.541 1.00 0.00 H new ATOM 0 HE2 MET A 94 -46.186 -14.530 -12.377 1.00 0.00 H new ATOM 0 HE3 MET A 94 -46.880 -12.948 -11.950 1.00 0.00 H new ATOM 1480 N VAL A 95 -44.957 -9.258 -14.426 1.00 0.00 N ATOM 1481 CA VAL A 95 -44.418 -8.070 -13.702 1.00 0.00 C ATOM 1482 C VAL A 95 -45.560 -7.111 -13.355 1.00 0.00 C ATOM 1483 O VAL A 95 -46.187 -7.228 -12.321 1.00 0.00 O ATOM 1484 CB VAL A 95 -43.400 -7.351 -14.589 1.00 0.00 C ATOM 1485 CG1 VAL A 95 -42.958 -6.054 -13.910 1.00 0.00 C ATOM 1486 CG2 VAL A 95 -42.183 -8.254 -14.803 1.00 0.00 C ATOM 0 H VAL A 95 -44.385 -9.588 -15.203 1.00 0.00 H new ATOM 0 HA VAL A 95 -43.934 -8.399 -12.783 1.00 0.00 H new ATOM 0 HB VAL A 95 -43.856 -7.120 -15.552 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -42.233 -5.541 -14.542 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -43.824 -5.410 -13.756 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -42.502 -6.284 -12.947 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -41.457 -7.742 -15.435 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -41.727 -8.485 -13.840 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -42.497 -9.179 -15.287 1.00 0.00 H new ATOM 1496 N GLN A 96 -45.832 -6.163 -14.208 1.00 0.00 N ATOM 1497 CA GLN A 96 -46.931 -5.198 -13.922 1.00 0.00 C ATOM 1498 C GLN A 96 -48.232 -5.960 -13.678 1.00 0.00 C ATOM 1499 O GLN A 96 -48.872 -5.809 -12.656 1.00 0.00 O ATOM 1500 CB GLN A 96 -47.106 -4.255 -15.115 1.00 0.00 C ATOM 1501 CG GLN A 96 -45.789 -3.526 -15.387 1.00 0.00 C ATOM 1502 CD GLN A 96 -45.995 -2.502 -16.505 1.00 0.00 C ATOM 1503 OE1 GLN A 96 -46.715 -1.537 -16.337 1.00 0.00 O ATOM 1504 NE2 GLN A 96 -45.387 -2.670 -17.648 1.00 0.00 N ATOM 0 H GLN A 96 -45.342 -6.014 -15.090 1.00 0.00 H new ATOM 0 HA GLN A 96 -46.681 -4.618 -13.034 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -47.410 -4.819 -15.997 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -47.897 -3.534 -14.909 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -45.443 -3.027 -14.482 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -45.017 -4.241 -15.672 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -44.783 -3.479 -17.790 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -45.516 -1.992 -18.399 1.00 0.00 H new ATOM 1513 N GLN A 97 -48.628 -6.777 -14.610 1.00 0.00 N ATOM 1514 CA GLN A 97 -49.888 -7.553 -14.439 1.00 0.00 C ATOM 1515 C GLN A 97 -49.939 -8.145 -13.029 1.00 0.00 C ATOM 1516 O GLN A 97 -50.737 -7.743 -12.205 1.00 0.00 O ATOM 1517 CB GLN A 97 -49.934 -8.681 -15.472 1.00 0.00 C ATOM 1518 CG GLN A 97 -51.366 -9.208 -15.586 1.00 0.00 C ATOM 1519 CD GLN A 97 -52.270 -8.110 -16.148 1.00 0.00 C ATOM 1520 OE1 GLN A 97 -52.148 -7.734 -17.297 1.00 0.00 O ATOM 1521 NE2 GLN A 97 -53.181 -7.577 -15.380 1.00 0.00 N ATOM 0 H GLN A 97 -48.133 -6.943 -15.486 1.00 0.00 H new ATOM 0 HA GLN A 97 -50.744 -6.893 -14.583 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -49.591 -8.316 -16.440 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -49.261 -9.486 -15.178 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -51.392 -10.083 -16.235 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -51.727 -9.526 -14.608 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -53.283 -7.893 -14.416 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -53.791 -6.845 -15.744 1.00 0.00 H new ATOM 1530 N PHE A 98 -49.092 -9.096 -12.743 1.00 0.00 N ATOM 1531 CA PHE A 98 -49.100 -9.705 -11.382 1.00 0.00 C ATOM 1532 C PHE A 98 -49.001 -8.596 -10.336 1.00 0.00 C ATOM 1533 O PHE A 98 -49.631 -8.648 -9.299 1.00 0.00 O ATOM 1534 CB PHE A 98 -47.914 -10.662 -11.226 1.00 0.00 C ATOM 1535 CG PHE A 98 -48.062 -11.449 -9.941 1.00 0.00 C ATOM 1536 CD1 PHE A 98 -49.262 -11.401 -9.216 1.00 0.00 C ATOM 1537 CD2 PHE A 98 -46.996 -12.228 -9.471 1.00 0.00 C ATOM 1538 CE1 PHE A 98 -49.393 -12.129 -8.029 1.00 0.00 C ATOM 1539 CE2 PHE A 98 -47.129 -12.956 -8.282 1.00 0.00 C ATOM 1540 CZ PHE A 98 -48.328 -12.906 -7.561 1.00 0.00 C ATOM 0 H PHE A 98 -48.399 -9.476 -13.388 1.00 0.00 H new ATOM 0 HA PHE A 98 -50.026 -10.264 -11.244 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -47.868 -11.341 -12.077 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -46.980 -10.101 -11.215 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -50.085 -10.801 -9.575 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -46.071 -12.267 -10.027 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -50.318 -12.091 -7.473 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -46.307 -13.556 -7.921 1.00 0.00 H new ATOM 0 HZ PHE A 98 -48.431 -13.467 -6.644 1.00 0.00 H new ATOM 1550 N LYS A 99 -48.216 -7.590 -10.604 1.00 0.00 N ATOM 1551 CA LYS A 99 -48.079 -6.473 -9.629 1.00 0.00 C ATOM 1552 C LYS A 99 -49.417 -5.741 -9.514 1.00 0.00 C ATOM 1553 O LYS A 99 -49.781 -5.251 -8.464 1.00 0.00 O ATOM 1554 CB LYS A 99 -47.004 -5.499 -10.113 1.00 0.00 C ATOM 1555 CG LYS A 99 -46.719 -4.468 -9.018 1.00 0.00 C ATOM 1556 CD LYS A 99 -45.719 -3.435 -9.541 1.00 0.00 C ATOM 1557 CE LYS A 99 -45.496 -2.358 -8.477 1.00 0.00 C ATOM 1558 NZ LYS A 99 -44.093 -2.432 -7.982 1.00 0.00 N ATOM 0 H LYS A 99 -47.664 -7.493 -11.456 1.00 0.00 H new ATOM 0 HA LYS A 99 -47.792 -6.870 -8.655 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -46.092 -6.042 -10.363 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -47.335 -4.997 -11.022 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -47.644 -3.975 -8.717 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -46.319 -4.962 -8.133 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -44.774 -3.920 -9.787 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -46.094 -2.982 -10.459 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -45.694 -1.371 -8.896 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -46.192 -2.499 -7.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -43.941 -1.700 -7.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -43.920 -3.370 -7.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -43.437 -2.278 -8.774 1.00 0.00 H new ATOM 1572 N ARG A 100 -50.154 -5.670 -10.587 1.00 0.00 N ATOM 1573 CA ARG A 100 -51.472 -4.978 -10.541 1.00 0.00 C ATOM 1574 C ARG A 100 -52.436 -5.800 -9.687 1.00 0.00 C ATOM 1575 O ARG A 100 -53.037 -5.301 -8.756 1.00 0.00 O ATOM 1576 CB ARG A 100 -52.030 -4.841 -11.959 1.00 0.00 C ATOM 1577 CG ARG A 100 -51.337 -3.675 -12.667 1.00 0.00 C ATOM 1578 CD ARG A 100 -51.934 -3.498 -14.065 1.00 0.00 C ATOM 1579 NE ARG A 100 -51.040 -2.627 -14.880 1.00 0.00 N ATOM 1580 CZ ARG A 100 -51.422 -1.423 -15.205 1.00 0.00 C ATOM 1581 NH1 ARG A 100 -50.796 -0.386 -14.719 1.00 0.00 N ATOM 1582 NH2 ARG A 100 -52.430 -1.255 -16.016 1.00 0.00 N ATOM 0 H ARG A 100 -49.901 -6.061 -11.494 1.00 0.00 H new ATOM 0 HA ARG A 100 -51.352 -3.985 -10.107 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -51.871 -5.765 -12.515 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -53.106 -4.672 -11.923 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -51.461 -2.759 -12.089 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -50.266 -3.864 -12.739 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -52.052 -4.468 -14.547 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -52.927 -3.054 -13.995 1.00 0.00 H new ATOM 0 HE ARG A 100 -50.130 -2.973 -15.183 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -50.008 -0.517 -14.085 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -51.095 0.555 -14.973 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -52.919 -2.065 -16.396 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -52.729 -0.313 -16.270 1.00 0.00 H new ATOM 1596 N GLU A 101 -52.580 -7.063 -9.986 1.00 0.00 N ATOM 1597 CA GLU A 101 -53.495 -7.917 -9.180 1.00 0.00 C ATOM 1598 C GLU A 101 -52.993 -7.948 -7.738 1.00 0.00 C ATOM 1599 O GLU A 101 -53.762 -7.932 -6.797 1.00 0.00 O ATOM 1600 CB GLU A 101 -53.505 -9.337 -9.749 1.00 0.00 C ATOM 1601 CG GLU A 101 -54.108 -9.322 -11.155 1.00 0.00 C ATOM 1602 CD GLU A 101 -55.462 -8.610 -11.121 1.00 0.00 C ATOM 1603 OE1 GLU A 101 -56.172 -8.774 -10.143 1.00 0.00 O ATOM 1604 OE2 GLU A 101 -55.767 -7.913 -12.076 1.00 0.00 O ATOM 0 H GLU A 101 -52.104 -7.538 -10.753 1.00 0.00 H new ATOM 0 HA GLU A 101 -54.507 -7.512 -9.213 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -52.490 -9.734 -9.782 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -54.084 -9.995 -9.101 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -53.435 -8.814 -11.846 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -54.230 -10.341 -11.521 1.00 0.00 H new ATOM 1611 N LEU A 102 -51.700 -7.991 -7.559 1.00 0.00 N ATOM 1612 CA LEU A 102 -51.137 -8.020 -6.182 1.00 0.00 C ATOM 1613 C LEU A 102 -51.638 -6.805 -5.400 1.00 0.00 C ATOM 1614 O LEU A 102 -51.927 -6.889 -4.225 1.00 0.00 O ATOM 1615 CB LEU A 102 -49.609 -7.986 -6.257 1.00 0.00 C ATOM 1616 CG LEU A 102 -49.027 -9.173 -5.483 1.00 0.00 C ATOM 1617 CD1 LEU A 102 -49.798 -10.447 -5.837 1.00 0.00 C ATOM 1618 CD2 LEU A 102 -47.554 -9.350 -5.857 1.00 0.00 C ATOM 0 H LEU A 102 -51.010 -8.007 -8.310 1.00 0.00 H new ATOM 0 HA LEU A 102 -51.456 -8.932 -5.677 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -49.286 -8.024 -7.297 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -49.236 -7.050 -5.841 1.00 0.00 H new ATOM 0 HG LEU A 102 -49.113 -8.984 -4.413 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -49.382 -11.290 -5.285 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -50.848 -10.323 -5.572 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -49.714 -10.637 -6.907 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -47.138 -10.194 -5.307 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -47.470 -9.537 -6.928 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -47.003 -8.445 -5.603 1.00 0.00 H new ATOM 1630 N MET A 103 -51.750 -5.675 -6.045 1.00 0.00 N ATOM 1631 CA MET A 103 -52.239 -4.462 -5.332 1.00 0.00 C ATOM 1632 C MET A 103 -53.678 -4.700 -4.872 1.00 0.00 C ATOM 1633 O MET A 103 -54.107 -4.197 -3.853 1.00 0.00 O ATOM 1634 CB MET A 103 -52.197 -3.260 -6.277 1.00 0.00 C ATOM 1635 CG MET A 103 -50.742 -2.841 -6.503 1.00 0.00 C ATOM 1636 SD MET A 103 -50.697 -1.342 -7.517 1.00 0.00 S ATOM 1637 CE MET A 103 -50.956 -0.154 -6.178 1.00 0.00 C ATOM 0 H MET A 103 -51.525 -5.540 -7.031 1.00 0.00 H new ATOM 0 HA MET A 103 -51.604 -4.262 -4.469 1.00 0.00 H new ATOM 0 HB2 MET A 103 -52.666 -3.514 -7.228 1.00 0.00 H new ATOM 0 HB3 MET A 103 -52.764 -2.431 -5.854 1.00 0.00 H new ATOM 0 HG2 MET A 103 -50.251 -2.661 -5.546 1.00 0.00 H new ATOM 0 HG3 MET A 103 -50.194 -3.643 -6.996 1.00 0.00 H new ATOM 0 HE1 MET A 103 -51.695 0.586 -6.486 1.00 0.00 H new ATOM 0 HE2 MET A 103 -51.314 -0.677 -5.291 1.00 0.00 H new ATOM 0 HE3 MET A 103 -50.015 0.347 -5.949 1.00 0.00 H new ATOM 1647 N SER A 104 -54.425 -5.470 -5.616 1.00 0.00 N ATOM 1648 CA SER A 104 -55.834 -5.747 -5.224 1.00 0.00 C ATOM 1649 C SER A 104 -55.858 -6.854 -4.168 1.00 0.00 C ATOM 1650 O SER A 104 -56.716 -6.888 -3.309 1.00 0.00 O ATOM 1651 CB SER A 104 -56.626 -6.197 -6.453 1.00 0.00 C ATOM 1652 OG SER A 104 -56.075 -7.407 -6.953 1.00 0.00 O ATOM 0 H SER A 104 -54.119 -5.919 -6.479 1.00 0.00 H new ATOM 0 HA SER A 104 -56.283 -4.842 -4.814 1.00 0.00 H new ATOM 0 HB2 SER A 104 -57.674 -6.343 -6.191 1.00 0.00 H new ATOM 0 HB3 SER A 104 -56.595 -5.425 -7.222 1.00 0.00 H new ATOM 0 HG SER A 104 -55.133 -7.471 -6.689 1.00 0.00 H new ATOM 1658 N LEU A 105 -54.924 -7.764 -4.229 1.00 0.00 N ATOM 1659 CA LEU A 105 -54.892 -8.872 -3.234 1.00 0.00 C ATOM 1660 C LEU A 105 -55.184 -8.327 -1.834 1.00 0.00 C ATOM 1661 O LEU A 105 -56.027 -8.842 -1.127 1.00 0.00 O ATOM 1662 CB LEU A 105 -53.511 -9.533 -3.246 1.00 0.00 C ATOM 1663 CG LEU A 105 -53.631 -10.972 -3.756 1.00 0.00 C ATOM 1664 CD1 LEU A 105 -54.765 -11.688 -3.018 1.00 0.00 C ATOM 1665 CD2 LEU A 105 -53.927 -10.958 -5.256 1.00 0.00 C ATOM 0 H LEU A 105 -54.180 -7.787 -4.927 1.00 0.00 H new ATOM 0 HA LEU A 105 -55.652 -9.608 -3.497 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -52.832 -8.967 -3.883 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -53.086 -9.527 -2.242 1.00 0.00 H new ATOM 0 HG LEU A 105 -52.694 -11.499 -3.574 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -54.848 -12.712 -3.383 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -54.553 -11.700 -1.949 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -55.703 -11.163 -3.195 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -54.012 -11.982 -5.620 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -54.863 -10.429 -5.437 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -53.117 -10.453 -5.782 1.00 0.00 H new ATOM 1677 N PRO A 106 -54.476 -7.261 -1.423 1.00 0.00 N ATOM 1678 CA PRO A 106 -54.671 -6.651 -0.104 1.00 0.00 C ATOM 1679 C PRO A 106 -56.050 -6.002 0.006 1.00 0.00 C ATOM 1680 O PRO A 106 -56.455 -5.543 1.056 1.00 0.00 O ATOM 1681 CB PRO A 106 -53.572 -5.591 -0.030 1.00 0.00 C ATOM 1682 CG PRO A 106 -53.269 -5.273 -1.453 1.00 0.00 C ATOM 1683 CD PRO A 106 -53.440 -6.563 -2.205 1.00 0.00 C ATOM 0 HA PRO A 106 -54.619 -7.380 0.705 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -53.908 -4.707 0.512 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -52.691 -5.968 0.490 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -53.943 -4.506 -1.834 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -52.255 -4.889 -1.561 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -53.756 -6.393 -3.234 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -52.512 -7.133 -2.247 1.00 0.00 H new ATOM 1691 N GLN A 107 -56.779 -5.972 -1.075 1.00 0.00 N ATOM 1692 CA GLN A 107 -58.137 -5.368 -1.047 1.00 0.00 C ATOM 1693 C GLN A 107 -59.177 -6.483 -0.961 1.00 0.00 C ATOM 1694 O GLN A 107 -60.080 -6.444 -0.150 1.00 0.00 O ATOM 1695 CB GLN A 107 -58.363 -4.552 -2.321 1.00 0.00 C ATOM 1696 CG GLN A 107 -59.727 -3.862 -2.250 1.00 0.00 C ATOM 1697 CD GLN A 107 -59.969 -3.075 -3.539 1.00 0.00 C ATOM 1698 OE1 GLN A 107 -59.082 -2.943 -4.360 1.00 0.00 O ATOM 1699 NE2 GLN A 107 -61.140 -2.541 -3.754 1.00 0.00 N ATOM 0 H GLN A 107 -56.489 -6.342 -1.980 1.00 0.00 H new ATOM 0 HA GLN A 107 -58.229 -4.712 -0.182 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -57.573 -3.809 -2.435 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -58.317 -5.202 -3.195 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -60.514 -4.603 -2.111 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -59.763 -3.193 -1.391 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -61.885 -2.651 -3.066 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -61.311 -2.013 -4.610 1.00 0.00 H new ATOM 1708 N GLN A 108 -59.059 -7.478 -1.797 1.00 0.00 N ATOM 1709 CA GLN A 108 -60.041 -8.598 -1.766 1.00 0.00 C ATOM 1710 C GLN A 108 -60.208 -9.092 -0.329 1.00 0.00 C ATOM 1711 O GLN A 108 -61.252 -9.583 0.053 1.00 0.00 O ATOM 1712 CB GLN A 108 -59.534 -9.744 -2.644 1.00 0.00 C ATOM 1713 CG GLN A 108 -60.595 -10.844 -2.710 1.00 0.00 C ATOM 1714 CD GLN A 108 -60.031 -12.049 -3.466 1.00 0.00 C ATOM 1715 OE1 GLN A 108 -59.122 -12.704 -2.998 1.00 0.00 O ATOM 1716 NE2 GLN A 108 -60.538 -12.372 -4.625 1.00 0.00 N ATOM 0 H GLN A 108 -58.325 -7.564 -2.500 1.00 0.00 H new ATOM 0 HA GLN A 108 -61.002 -8.249 -2.143 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -59.312 -9.378 -3.646 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -58.605 -10.144 -2.238 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -60.892 -11.139 -1.704 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -61.489 -10.473 -3.211 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -61.302 -11.822 -5.019 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -60.170 -13.174 -5.137 1.00 0.00 H new ATOM 1725 N CYS A 109 -59.187 -8.966 0.473 1.00 0.00 N ATOM 1726 CA CYS A 109 -59.287 -9.429 1.886 1.00 0.00 C ATOM 1727 C CYS A 109 -58.682 -8.370 2.812 1.00 0.00 C ATOM 1728 O CYS A 109 -58.212 -8.673 3.891 1.00 0.00 O ATOM 1729 CB CYS A 109 -58.526 -10.749 2.052 1.00 0.00 C ATOM 1730 SG CYS A 109 -57.184 -10.842 0.838 1.00 0.00 S ATOM 0 H CYS A 109 -58.288 -8.562 0.211 1.00 0.00 H new ATOM 0 HA CYS A 109 -60.335 -9.583 2.143 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -58.121 -10.821 3.061 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -59.206 -11.590 1.921 1.00 0.00 H new ATOM 1735 N ASN A 110 -58.694 -7.133 2.399 1.00 0.00 N ATOM 1736 CA ASN A 110 -58.123 -6.054 3.254 1.00 0.00 C ATOM 1737 C ASN A 110 -56.812 -6.534 3.878 1.00 0.00 C ATOM 1738 O ASN A 110 -56.572 -6.356 5.056 1.00 0.00 O ATOM 1739 CB ASN A 110 -59.116 -5.703 4.364 1.00 0.00 C ATOM 1740 CG ASN A 110 -60.488 -5.417 3.751 1.00 0.00 C ATOM 1741 OD1 ASN A 110 -60.594 -4.692 2.782 1.00 0.00 O ATOM 1742 ND2 ASN A 110 -61.551 -5.960 4.279 1.00 0.00 N ATOM 0 H ASN A 110 -59.075 -6.822 1.505 1.00 0.00 H new ATOM 0 HA ASN A 110 -57.932 -5.172 2.643 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -59.188 -6.526 5.075 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -58.765 -4.833 4.918 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -62.471 -5.776 3.878 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -61.462 -6.569 5.093 1.00 0.00 H new