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 33 MET CE :methyl 140:sc= -8.4! (180deg=-13.1!) USER MOD Set 1.2: A 94 MET CE :methyl -166:sc= -16.2! (180deg=-17.4!) USER MOD Set 2.1: A 80 GLN : amide:sc= -1.48 K(o=-9.2,f=-16!) USER MOD Set 2.2: A 84 ASN : amide:sc= -7.7! C(o=-9.2!,f=-15!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.777 K(o=-0.78,f=-3.3!) USER MOD Single : A 24 ASN : amide:sc= -0.224 K(o=-0.22,f=-3!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -0.583 K(o=-0.58,f=-1.8!) USER MOD Single : A 31 HIS :FLIP no HE2:sc= -0.532 F(o=-2,f=-0.53) USER MOD Single : A 34 GLN : amide:sc= -3.19! C(o=-3.2!,f=-5.5!) USER MOD Single : A 37 MET CE :methyl -150:sc= -0.369 (180deg=-1.86!) USER MOD Single : A 56 GLN : amide:sc=-0.00191 K(o=-0.0019,f=-1.6!) USER MOD Single : A 57 GLN : amide:sc= -1.16! C(o=-1.2!,f=-4.5!) USER MOD Single : A 58 GLN : amide:sc=-0.00679 K(o=-0.0068,f=-1.7!) USER MOD Single : A 65 ASN : amide:sc= -0.0557 K(o=-0.056,f=-2!) USER MOD Single : A 70 THR OG1 : rot -178:sc= 1.36 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 MET CE :methyl -145:sc= -0.177 (180deg=-1.28) USER MOD Single : A 75 CYS SG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 82 MET CE :methyl 149:sc= -0.236 (180deg=-1.52!) USER MOD Single : A 85 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 86 CYS SG : rot -29:sc= -4.53! USER MOD Single : A 90 GLN : amide:sc= -0.0215 K(o=-0.022,f=-1.6!) USER MOD Single : A 93 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 GLN : amide:sc= -0.0252 K(o=-0.025,f=-2.2!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 MET CE :methyl -143:sc= -0.43 (180deg=-2.23!) USER MOD Single : A 104 SER OG : rot -68:sc= 0.935 USER MOD Single : A 107 GLN : amide:sc= -0.468 K(o=-0.47,f=-2.3!) USER MOD Single : A 108 GLN : amide:sc= -0.225 X(o=-0.23,f=-0.37) USER MOD Single : A 110 ASN : amide:sc= -0.0612 K(o=-0.061,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 217 N SER A 15 -38.634 -13.263 15.595 1.00 0.00 N ATOM 218 CA SER A 15 -38.987 -12.112 14.718 1.00 0.00 C ATOM 219 C SER A 15 -40.255 -12.445 13.929 1.00 0.00 C ATOM 220 O SER A 15 -40.451 -13.563 13.496 1.00 0.00 O ATOM 221 CB SER A 15 -37.837 -11.839 13.746 1.00 0.00 C ATOM 222 OG SER A 15 -38.175 -10.743 12.909 1.00 0.00 O ATOM 0 HA SER A 15 -39.161 -11.227 15.330 1.00 0.00 H new ATOM 0 HB2 SER A 15 -36.924 -11.620 14.299 1.00 0.00 H new ATOM 0 HB3 SER A 15 -37.639 -12.724 13.142 1.00 0.00 H new ATOM 0 HG SER A 15 -37.438 -10.567 12.287 1.00 0.00 H new ATOM 228 N CYS A 16 -41.119 -11.485 13.740 1.00 0.00 N ATOM 229 CA CYS A 16 -42.373 -11.752 12.979 1.00 0.00 C ATOM 230 C CYS A 16 -42.049 -12.591 11.742 1.00 0.00 C ATOM 231 O CYS A 16 -42.841 -13.405 11.309 1.00 0.00 O ATOM 232 CB CYS A 16 -43.002 -10.426 12.546 1.00 0.00 C ATOM 233 SG CYS A 16 -44.715 -10.711 12.034 1.00 0.00 S ATOM 0 H CYS A 16 -41.011 -10.529 14.079 1.00 0.00 H new ATOM 0 HA CYS A 16 -43.074 -12.295 13.614 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -42.971 -9.711 13.368 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -42.433 -9.992 11.724 1.00 0.00 H new ATOM 238 N GLU A 17 -40.891 -12.402 11.171 1.00 0.00 N ATOM 239 CA GLU A 17 -40.520 -13.191 9.964 1.00 0.00 C ATOM 240 C GLU A 17 -40.846 -14.666 10.203 1.00 0.00 C ATOM 241 O GLU A 17 -41.373 -15.343 9.343 1.00 0.00 O ATOM 242 CB GLU A 17 -39.022 -13.036 9.693 1.00 0.00 C ATOM 243 CG GLU A 17 -38.738 -11.617 9.197 1.00 0.00 C ATOM 244 CD GLU A 17 -37.325 -11.554 8.612 1.00 0.00 C ATOM 245 OE1 GLU A 17 -36.622 -12.547 8.705 1.00 0.00 O ATOM 246 OE2 GLU A 17 -36.971 -10.514 8.082 1.00 0.00 O ATOM 0 H GLU A 17 -40.187 -11.736 11.488 1.00 0.00 H new ATOM 0 HA GLU A 17 -41.083 -12.828 9.104 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -38.455 -13.235 10.602 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -38.699 -13.764 8.949 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -39.469 -11.332 8.441 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -38.835 -10.907 10.018 1.00 0.00 H new ATOM 253 N ARG A 18 -40.540 -15.170 11.368 1.00 0.00 N ATOM 254 CA ARG A 18 -40.836 -16.600 11.662 1.00 0.00 C ATOM 255 C ARG A 18 -42.321 -16.869 11.414 1.00 0.00 C ATOM 256 O ARG A 18 -42.719 -17.977 11.112 1.00 0.00 O ATOM 257 CB ARG A 18 -40.498 -16.902 13.123 1.00 0.00 C ATOM 258 CG ARG A 18 -39.004 -16.673 13.359 1.00 0.00 C ATOM 259 CD ARG A 18 -38.196 -17.615 12.464 1.00 0.00 C ATOM 260 NE ARG A 18 -36.741 -17.398 12.701 1.00 0.00 N ATOM 261 CZ ARG A 18 -35.917 -18.410 12.676 1.00 0.00 C ATOM 262 NH1 ARG A 18 -35.938 -19.243 11.672 1.00 0.00 N ATOM 263 NH2 ARG A 18 -35.072 -18.589 13.654 1.00 0.00 N ATOM 0 H ARG A 18 -40.098 -14.653 12.128 1.00 0.00 H new ATOM 0 HA ARG A 18 -40.236 -17.239 11.014 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -41.084 -16.262 13.783 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -40.761 -17.932 13.363 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -38.745 -15.637 13.142 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -38.759 -16.850 14.406 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -38.460 -18.651 12.677 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -38.436 -17.434 11.416 1.00 0.00 H new ATOM 0 HE ARG A 18 -36.389 -16.458 12.883 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -36.598 -19.103 10.907 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -35.294 -20.034 11.652 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -35.055 -17.938 14.439 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -34.428 -19.380 13.634 1.00 0.00 H new ATOM 277 N GLN A 19 -43.143 -15.864 11.536 1.00 0.00 N ATOM 278 CA GLN A 19 -44.601 -16.061 11.303 1.00 0.00 C ATOM 279 C GLN A 19 -44.855 -16.210 9.802 1.00 0.00 C ATOM 280 O GLN A 19 -45.859 -16.749 9.381 1.00 0.00 O ATOM 281 CB GLN A 19 -45.371 -14.850 11.835 1.00 0.00 C ATOM 282 CG GLN A 19 -45.272 -14.813 13.361 1.00 0.00 C ATOM 283 CD GLN A 19 -46.090 -13.636 13.897 1.00 0.00 C ATOM 284 OE1 GLN A 19 -46.494 -12.771 13.146 1.00 0.00 O ATOM 285 NE2 GLN A 19 -46.351 -13.566 15.174 1.00 0.00 N ATOM 0 H GLN A 19 -42.868 -14.914 11.787 1.00 0.00 H new ATOM 0 HA GLN A 19 -44.937 -16.959 11.822 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -44.964 -13.932 11.411 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -46.416 -14.907 11.529 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -45.641 -15.748 13.783 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -44.230 -14.715 13.666 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -46.012 -14.292 15.804 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -46.894 -12.785 15.541 1.00 0.00 H new ATOM 294 N VAL A 20 -43.948 -15.737 8.990 1.00 0.00 N ATOM 295 CA VAL A 20 -44.133 -15.852 7.517 1.00 0.00 C ATOM 296 C VAL A 20 -44.011 -17.319 7.103 1.00 0.00 C ATOM 297 O VAL A 20 -44.671 -17.774 6.190 1.00 0.00 O ATOM 298 CB VAL A 20 -43.060 -15.029 6.801 1.00 0.00 C ATOM 299 CG1 VAL A 20 -43.271 -15.120 5.288 1.00 0.00 C ATOM 300 CG2 VAL A 20 -43.160 -13.567 7.242 1.00 0.00 C ATOM 0 H VAL A 20 -43.087 -15.276 9.284 1.00 0.00 H new ATOM 0 HA VAL A 20 -45.119 -15.477 7.244 1.00 0.00 H new ATOM 0 HB VAL A 20 -42.074 -15.419 7.054 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -42.507 -14.534 4.778 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -43.200 -16.161 4.973 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -44.257 -14.730 5.034 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -42.396 -12.980 6.732 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -44.146 -13.177 6.989 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -43.010 -13.501 8.320 1.00 0.00 H new ATOM 310 N ASP A 21 -43.173 -18.066 7.770 1.00 0.00 N ATOM 311 CA ASP A 21 -43.013 -19.504 7.416 1.00 0.00 C ATOM 312 C ASP A 21 -44.365 -20.208 7.544 1.00 0.00 C ATOM 313 O ASP A 21 -44.627 -21.195 6.884 1.00 0.00 O ATOM 314 CB ASP A 21 -42.005 -20.155 8.365 1.00 0.00 C ATOM 315 CG ASP A 21 -40.605 -19.611 8.073 1.00 0.00 C ATOM 316 OD1 ASP A 21 -40.437 -18.989 7.037 1.00 0.00 O ATOM 317 OD2 ASP A 21 -39.726 -19.826 8.891 1.00 0.00 O ATOM 0 H ASP A 21 -42.593 -17.742 8.544 1.00 0.00 H new ATOM 0 HA ASP A 21 -42.651 -19.591 6.391 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -42.278 -19.949 9.400 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -42.019 -21.238 8.241 1.00 0.00 H new ATOM 322 N ARG A 22 -45.226 -19.708 8.388 1.00 0.00 N ATOM 323 CA ARG A 22 -46.561 -20.346 8.557 1.00 0.00 C ATOM 324 C ARG A 22 -47.454 -19.976 7.372 1.00 0.00 C ATOM 325 O ARG A 22 -48.500 -20.558 7.164 1.00 0.00 O ATOM 326 CB ARG A 22 -47.203 -19.848 9.854 1.00 0.00 C ATOM 327 CG ARG A 22 -46.395 -20.353 11.051 1.00 0.00 C ATOM 328 CD ARG A 22 -47.053 -19.875 12.347 1.00 0.00 C ATOM 329 NE ARG A 22 -46.169 -20.197 13.503 1.00 0.00 N ATOM 330 CZ ARG A 22 -46.690 -20.577 14.638 1.00 0.00 C ATOM 331 NH1 ARG A 22 -47.850 -20.110 15.013 1.00 0.00 N ATOM 332 NH2 ARG A 22 -46.051 -21.424 15.397 1.00 0.00 N ATOM 0 H ARG A 22 -45.062 -18.885 8.968 1.00 0.00 H new ATOM 0 HA ARG A 22 -46.445 -21.429 8.602 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -47.239 -18.759 9.860 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -48.232 -20.201 9.922 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -46.344 -21.442 11.036 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -45.371 -19.985 10.993 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -47.232 -18.801 12.301 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -48.023 -20.355 12.473 1.00 0.00 H new ATOM 0 HE ARG A 22 -45.156 -20.120 13.407 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -48.349 -19.448 14.419 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -48.257 -20.407 15.900 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -45.145 -21.789 15.103 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -46.458 -21.721 16.284 1.00 0.00 H new ATOM 346 N VAL A 23 -47.049 -19.010 6.593 1.00 0.00 N ATOM 347 CA VAL A 23 -47.874 -18.602 5.421 1.00 0.00 C ATOM 348 C VAL A 23 -48.187 -19.828 4.564 1.00 0.00 C ATOM 349 O VAL A 23 -49.228 -20.442 4.696 1.00 0.00 O ATOM 350 CB VAL A 23 -47.102 -17.579 4.586 1.00 0.00 C ATOM 351 CG1 VAL A 23 -47.808 -17.379 3.243 1.00 0.00 C ATOM 352 CG2 VAL A 23 -47.045 -16.246 5.335 1.00 0.00 C ATOM 0 H VAL A 23 -46.183 -18.486 6.718 1.00 0.00 H new ATOM 0 HA VAL A 23 -48.806 -18.157 5.771 1.00 0.00 H new ATOM 0 HB VAL A 23 -46.089 -17.942 4.414 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -47.258 -16.650 2.648 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -47.848 -18.328 2.708 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -48.821 -17.016 3.415 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -46.495 -15.517 4.740 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -48.058 -15.882 5.508 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -46.542 -16.387 6.291 1.00 0.00 H new ATOM 362 N ASN A 24 -47.296 -20.189 3.683 1.00 0.00 N ATOM 363 CA ASN A 24 -47.544 -21.374 2.815 1.00 0.00 C ATOM 364 C ASN A 24 -48.833 -21.156 2.021 1.00 0.00 C ATOM 365 O ASN A 24 -49.772 -21.921 2.120 1.00 0.00 O ATOM 366 CB ASN A 24 -47.683 -22.624 3.685 1.00 0.00 C ATOM 367 CG ASN A 24 -47.276 -23.857 2.876 1.00 0.00 C ATOM 368 OD1 ASN A 24 -46.718 -23.737 1.803 1.00 0.00 O ATOM 369 ND2 ASN A 24 -47.531 -25.046 3.349 1.00 0.00 N ATOM 0 H ASN A 24 -46.407 -19.715 3.526 1.00 0.00 H new ATOM 0 HA ASN A 24 -46.709 -21.505 2.127 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -47.055 -22.534 4.572 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -48.711 -22.726 4.031 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -47.262 -25.874 2.818 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -47.999 -25.147 4.250 1.00 0.00 H new ATOM 376 N LEU A 25 -48.886 -20.116 1.235 1.00 0.00 N ATOM 377 CA LEU A 25 -50.115 -19.844 0.438 1.00 0.00 C ATOM 378 C LEU A 25 -49.850 -20.164 -1.035 1.00 0.00 C ATOM 379 O LEU A 25 -49.858 -19.290 -1.880 1.00 0.00 O ATOM 380 CB LEU A 25 -50.495 -18.369 0.578 1.00 0.00 C ATOM 381 CG LEU A 25 -51.108 -18.129 1.959 1.00 0.00 C ATOM 382 CD1 LEU A 25 -51.274 -16.626 2.189 1.00 0.00 C ATOM 383 CD2 LEU A 25 -52.476 -18.811 2.035 1.00 0.00 C ATOM 0 H LEU A 25 -48.130 -19.442 1.110 1.00 0.00 H new ATOM 0 HA LEU A 25 -50.931 -20.467 0.804 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -49.614 -17.741 0.445 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -51.205 -18.090 -0.200 1.00 0.00 H new ATOM 0 HG LEU A 25 -50.452 -18.543 2.725 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -51.711 -16.455 3.173 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -50.300 -16.140 2.135 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -51.930 -16.211 1.424 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -52.913 -18.640 3.019 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -53.132 -18.397 1.269 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -52.358 -19.882 1.871 1.00 0.00 H new ATOM 395 N LYS A 26 -49.620 -21.409 -1.350 1.00 0.00 N ATOM 396 CA LYS A 26 -49.359 -21.785 -2.767 1.00 0.00 C ATOM 397 C LYS A 26 -50.621 -21.573 -3.612 1.00 0.00 C ATOM 398 O LYS A 26 -50.544 -21.142 -4.745 1.00 0.00 O ATOM 399 CB LYS A 26 -48.945 -23.256 -2.832 1.00 0.00 C ATOM 400 CG LYS A 26 -48.498 -23.598 -4.255 1.00 0.00 C ATOM 401 CD LYS A 26 -47.136 -24.294 -4.209 1.00 0.00 C ATOM 402 CE LYS A 26 -47.275 -25.640 -3.495 1.00 0.00 C ATOM 403 NZ LYS A 26 -46.510 -26.679 -4.240 1.00 0.00 N ATOM 0 H LYS A 26 -49.602 -22.183 -0.686 1.00 0.00 H new ATOM 0 HA LYS A 26 -48.559 -21.157 -3.161 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -48.135 -23.448 -2.129 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -49.779 -23.893 -2.539 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -49.233 -24.246 -4.733 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -48.434 -22.691 -4.856 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -46.758 -24.444 -5.220 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -46.413 -23.667 -3.688 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -46.903 -25.562 -2.473 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -48.326 -25.923 -3.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -46.604 -27.594 -3.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -46.885 -26.759 -5.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -45.506 -26.410 -4.279 1.00 0.00 H new ATOM 417 N PRO A 27 -51.808 -21.885 -3.058 1.00 0.00 N ATOM 418 CA PRO A 27 -53.075 -21.725 -3.783 1.00 0.00 C ATOM 419 C PRO A 27 -53.408 -20.251 -4.022 1.00 0.00 C ATOM 420 O PRO A 27 -54.026 -19.897 -5.006 1.00 0.00 O ATOM 421 CB PRO A 27 -54.108 -22.362 -2.852 1.00 0.00 C ATOM 422 CG PRO A 27 -53.499 -22.267 -1.496 1.00 0.00 C ATOM 423 CD PRO A 27 -52.016 -22.410 -1.694 1.00 0.00 C ATOM 0 HA PRO A 27 -53.043 -22.183 -4.772 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -55.061 -21.835 -2.897 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -54.304 -23.398 -3.127 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -53.739 -21.313 -1.027 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -53.882 -23.050 -0.841 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -51.454 -21.841 -0.953 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -51.696 -23.449 -1.609 1.00 0.00 H new ATOM 431 N CYS A 28 -52.994 -19.386 -3.137 1.00 0.00 N ATOM 432 CA CYS A 28 -53.279 -17.938 -3.327 1.00 0.00 C ATOM 433 C CYS A 28 -52.423 -17.415 -4.482 1.00 0.00 C ATOM 434 O CYS A 28 -52.926 -16.880 -5.452 1.00 0.00 O ATOM 435 CB CYS A 28 -52.936 -17.175 -2.046 1.00 0.00 C ATOM 436 SG CYS A 28 -53.671 -18.024 -0.626 1.00 0.00 S ATOM 0 H CYS A 28 -52.472 -19.620 -2.293 1.00 0.00 H new ATOM 0 HA CYS A 28 -54.335 -17.794 -3.554 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -51.855 -17.111 -1.926 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -53.311 -16.153 -2.107 1.00 0.00 H new ATOM 441 N GLU A 29 -51.131 -17.578 -4.393 1.00 0.00 N ATOM 442 CA GLU A 29 -50.247 -17.101 -5.491 1.00 0.00 C ATOM 443 C GLU A 29 -50.712 -17.722 -6.809 1.00 0.00 C ATOM 444 O GLU A 29 -50.623 -17.117 -7.859 1.00 0.00 O ATOM 445 CB GLU A 29 -48.805 -17.524 -5.209 1.00 0.00 C ATOM 446 CG GLU A 29 -47.848 -16.619 -5.987 1.00 0.00 C ATOM 447 CD GLU A 29 -46.403 -16.988 -5.643 1.00 0.00 C ATOM 448 OE1 GLU A 29 -46.201 -18.056 -5.089 1.00 0.00 O ATOM 449 OE2 GLU A 29 -45.524 -16.195 -5.939 1.00 0.00 O ATOM 0 H GLU A 29 -50.651 -18.020 -3.609 1.00 0.00 H new ATOM 0 HA GLU A 29 -50.296 -16.014 -5.557 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -48.597 -17.458 -4.141 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -48.656 -18.564 -5.499 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -48.017 -16.728 -7.058 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -48.037 -15.574 -5.740 1.00 0.00 H new ATOM 456 N GLN A 30 -51.212 -18.927 -6.761 1.00 0.00 N ATOM 457 CA GLN A 30 -51.687 -19.588 -8.008 1.00 0.00 C ATOM 458 C GLN A 30 -52.975 -18.912 -8.480 1.00 0.00 C ATOM 459 O GLN A 30 -53.318 -18.953 -9.645 1.00 0.00 O ATOM 460 CB GLN A 30 -51.962 -21.067 -7.728 1.00 0.00 C ATOM 461 CG GLN A 30 -50.637 -21.827 -7.647 1.00 0.00 C ATOM 462 CD GLN A 30 -50.897 -23.254 -7.160 1.00 0.00 C ATOM 463 OE1 GLN A 30 -52.013 -23.600 -6.825 1.00 0.00 O ATOM 464 NE2 GLN A 30 -49.908 -24.104 -7.106 1.00 0.00 N ATOM 0 H GLN A 30 -51.312 -19.482 -5.911 1.00 0.00 H new ATOM 0 HA GLN A 30 -50.924 -19.500 -8.781 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -52.513 -21.175 -6.794 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -52.587 -21.487 -8.516 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -50.156 -21.847 -8.625 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -49.954 -21.318 -6.967 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -48.971 -23.815 -7.387 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -50.072 -25.057 -6.783 1.00 0.00 H new ATOM 473 N HIS A 31 -53.689 -18.284 -7.585 1.00 0.00 N ATOM 474 CA HIS A 31 -54.950 -17.602 -7.984 1.00 0.00 C ATOM 475 C HIS A 31 -54.605 -16.248 -8.602 1.00 0.00 C ATOM 476 O HIS A 31 -55.378 -15.674 -9.344 1.00 0.00 O ATOM 477 CB HIS A 31 -55.831 -17.396 -6.749 1.00 0.00 C ATOM 478 CG HIS A 31 -56.889 -16.368 -7.046 1.00 0.00 C ATOM 479 ND1 HIS A 31 -57.078 -15.088 -6.586 1.00 0.00 N flip ATOM 480 CD2 HIS A 31 -57.931 -16.612 -7.927 1.00 0.00 C flip ATOM 481 CE1 HIS A 31 -58.218 -14.544 -7.171 1.00 0.00 C flip ATOM 482 NE2 HIS A 31 -58.693 -15.504 -7.970 1.00 0.00 N flip ATOM 0 H HIS A 31 -53.452 -18.215 -6.595 1.00 0.00 H new ATOM 0 HA HIS A 31 -55.489 -18.211 -8.710 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -56.297 -18.339 -6.461 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -55.221 -17.071 -5.906 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -56.475 -14.609 -5.917 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -58.100 -17.525 -8.478 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -58.630 -13.558 -7.013 1.00 0.00 H new ATOM 490 N ILE A 32 -53.444 -15.737 -8.303 1.00 0.00 N ATOM 491 CA ILE A 32 -53.041 -14.421 -8.875 1.00 0.00 C ATOM 492 C ILE A 32 -52.198 -14.651 -10.129 1.00 0.00 C ATOM 493 O ILE A 32 -52.409 -14.032 -11.153 1.00 0.00 O ATOM 494 CB ILE A 32 -52.224 -13.626 -7.850 1.00 0.00 C ATOM 495 CG1 ILE A 32 -51.850 -14.525 -6.669 1.00 0.00 C ATOM 496 CG2 ILE A 32 -53.055 -12.447 -7.346 1.00 0.00 C ATOM 497 CD1 ILE A 32 -51.162 -13.690 -5.585 1.00 0.00 C ATOM 0 H ILE A 32 -52.757 -16.173 -7.688 1.00 0.00 H new ATOM 0 HA ILE A 32 -53.937 -13.855 -9.130 1.00 0.00 H new ATOM 0 HB ILE A 32 -51.313 -13.260 -8.324 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -52.743 -15.000 -6.264 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -51.187 -15.324 -7.002 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -52.477 -11.880 -6.617 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -53.316 -11.801 -8.184 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -53.966 -12.818 -6.877 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -50.897 -14.332 -4.745 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -50.260 -13.236 -5.994 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -51.840 -12.907 -5.244 1.00 0.00 H new ATOM 509 N MET A 33 -51.244 -15.539 -10.060 1.00 0.00 N ATOM 510 CA MET A 33 -50.391 -15.808 -11.251 1.00 0.00 C ATOM 511 C MET A 33 -51.240 -16.452 -12.348 1.00 0.00 C ATOM 512 O MET A 33 -51.075 -16.173 -13.518 1.00 0.00 O ATOM 513 CB MET A 33 -49.256 -16.757 -10.861 1.00 0.00 C ATOM 514 CG MET A 33 -48.442 -16.138 -9.722 1.00 0.00 C ATOM 515 SD MET A 33 -46.820 -16.934 -9.636 1.00 0.00 S ATOM 516 CE MET A 33 -46.032 -15.723 -8.548 1.00 0.00 C ATOM 0 H MET A 33 -51.019 -16.089 -9.231 1.00 0.00 H new ATOM 0 HA MET A 33 -49.971 -14.871 -11.618 1.00 0.00 H new ATOM 0 HB2 MET A 33 -49.663 -17.719 -10.550 1.00 0.00 H new ATOM 0 HB3 MET A 33 -48.613 -16.945 -11.721 1.00 0.00 H new ATOM 0 HG2 MET A 33 -48.325 -15.067 -9.885 1.00 0.00 H new ATOM 0 HG3 MET A 33 -48.969 -16.260 -8.776 1.00 0.00 H new ATOM 0 HE1 MET A 33 -45.403 -16.240 -7.824 1.00 0.00 H new ATOM 0 HE2 MET A 33 -45.420 -15.044 -9.142 1.00 0.00 H new ATOM 0 HE3 MET A 33 -46.798 -15.154 -8.022 1.00 0.00 H new ATOM 526 N GLN A 34 -52.145 -17.317 -11.978 1.00 0.00 N ATOM 527 CA GLN A 34 -53.002 -17.983 -13.000 1.00 0.00 C ATOM 528 C GLN A 34 -53.960 -16.962 -13.619 1.00 0.00 C ATOM 529 O GLN A 34 -54.239 -16.999 -14.800 1.00 0.00 O ATOM 530 CB GLN A 34 -53.809 -19.100 -12.336 1.00 0.00 C ATOM 531 CG GLN A 34 -52.862 -20.214 -11.883 1.00 0.00 C ATOM 532 CD GLN A 34 -53.615 -21.183 -10.970 1.00 0.00 C ATOM 533 OE1 GLN A 34 -54.647 -20.846 -10.424 1.00 0.00 O ATOM 534 NE2 GLN A 34 -53.139 -22.383 -10.779 1.00 0.00 N ATOM 0 H GLN A 34 -52.328 -17.591 -11.013 1.00 0.00 H new ATOM 0 HA GLN A 34 -52.369 -18.402 -13.782 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -54.360 -18.707 -11.482 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -54.545 -19.496 -13.035 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -52.468 -20.746 -12.749 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -52.009 -19.788 -11.355 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -52.273 -22.667 -11.237 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -53.633 -23.037 -10.172 1.00 0.00 H new ATOM 543 N ARG A 35 -54.471 -16.053 -12.833 1.00 0.00 N ATOM 544 CA ARG A 35 -55.414 -15.040 -13.386 1.00 0.00 C ATOM 545 C ARG A 35 -54.709 -14.205 -14.458 1.00 0.00 C ATOM 546 O ARG A 35 -55.215 -14.021 -15.547 1.00 0.00 O ATOM 547 CB ARG A 35 -55.895 -14.121 -12.261 1.00 0.00 C ATOM 548 CG ARG A 35 -57.163 -13.390 -12.709 1.00 0.00 C ATOM 549 CD ARG A 35 -57.615 -12.428 -11.608 1.00 0.00 C ATOM 550 NE ARG A 35 -58.129 -13.208 -10.447 1.00 0.00 N ATOM 551 CZ ARG A 35 -59.408 -13.438 -10.331 1.00 0.00 C ATOM 552 NH1 ARG A 35 -59.886 -14.620 -10.607 1.00 0.00 N ATOM 553 NH2 ARG A 35 -60.209 -12.485 -9.939 1.00 0.00 N ATOM 0 H ARG A 35 -54.277 -15.968 -11.835 1.00 0.00 H new ATOM 0 HA ARG A 35 -56.268 -15.551 -13.831 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -56.096 -14.703 -11.362 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -55.117 -13.401 -12.007 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -56.972 -12.840 -13.631 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -57.953 -14.109 -12.925 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -56.782 -11.798 -11.296 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -58.392 -11.764 -11.987 1.00 0.00 H new ATOM 0 HE ARG A 35 -57.481 -13.562 -9.743 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -59.260 -15.365 -10.914 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -60.886 -14.800 -10.516 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -59.835 -11.561 -9.723 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -61.209 -12.664 -9.848 1.00 0.00 H new ATOM 567 N ILE A 36 -53.547 -13.694 -14.158 1.00 0.00 N ATOM 568 CA ILE A 36 -52.816 -12.866 -15.159 1.00 0.00 C ATOM 569 C ILE A 36 -52.456 -13.720 -16.378 1.00 0.00 C ATOM 570 O ILE A 36 -52.027 -13.213 -17.395 1.00 0.00 O ATOM 571 CB ILE A 36 -51.535 -12.312 -14.530 1.00 0.00 C ATOM 572 CG1 ILE A 36 -50.716 -13.461 -13.937 1.00 0.00 C ATOM 573 CG2 ILE A 36 -51.900 -11.320 -13.424 1.00 0.00 C ATOM 574 CD1 ILE A 36 -49.627 -12.892 -13.027 1.00 0.00 C ATOM 0 H ILE A 36 -53.072 -13.814 -13.263 1.00 0.00 H new ATOM 0 HA ILE A 36 -53.455 -12.041 -15.474 1.00 0.00 H new ATOM 0 HB ILE A 36 -50.945 -11.805 -15.294 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -51.364 -14.130 -13.372 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -50.266 -14.051 -14.735 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -50.989 -10.924 -12.975 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -52.481 -10.501 -13.847 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -52.490 -11.827 -12.661 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -49.043 -13.709 -12.604 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -48.973 -12.240 -13.606 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -50.088 -12.320 -12.221 1.00 0.00 H new ATOM 586 N MET A 37 -52.626 -15.011 -16.288 1.00 0.00 N ATOM 587 CA MET A 37 -52.291 -15.885 -17.448 1.00 0.00 C ATOM 588 C MET A 37 -53.071 -15.419 -18.678 1.00 0.00 C ATOM 589 O MET A 37 -52.561 -15.401 -19.781 1.00 0.00 O ATOM 590 CB MET A 37 -52.664 -17.333 -17.126 1.00 0.00 C ATOM 591 CG MET A 37 -51.721 -17.876 -16.051 1.00 0.00 C ATOM 592 SD MET A 37 -50.031 -17.920 -16.697 1.00 0.00 S ATOM 593 CE MET A 37 -50.323 -19.128 -18.013 1.00 0.00 C ATOM 0 H MET A 37 -52.981 -15.497 -15.464 1.00 0.00 H new ATOM 0 HA MET A 37 -51.222 -15.824 -17.650 1.00 0.00 H new ATOM 0 HB2 MET A 37 -53.696 -17.385 -16.779 1.00 0.00 H new ATOM 0 HB3 MET A 37 -52.598 -17.945 -18.025 1.00 0.00 H new ATOM 0 HG2 MET A 37 -51.766 -17.247 -15.162 1.00 0.00 H new ATOM 0 HG3 MET A 37 -52.033 -18.876 -15.750 1.00 0.00 H new ATOM 0 HE1 MET A 37 -49.412 -19.699 -18.191 1.00 0.00 H new ATOM 0 HE2 MET A 37 -51.123 -19.805 -17.714 1.00 0.00 H new ATOM 0 HE3 MET A 37 -50.610 -18.608 -18.927 1.00 0.00 H new ATOM 603 N GLY A 38 -54.305 -15.041 -18.495 1.00 0.00 N ATOM 604 CA GLY A 38 -55.122 -14.574 -19.650 1.00 0.00 C ATOM 605 C GLY A 38 -55.451 -15.761 -20.558 1.00 0.00 C ATOM 606 O GLY A 38 -56.593 -16.155 -20.692 1.00 0.00 O ATOM 0 H GLY A 38 -54.784 -15.035 -17.594 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -56.042 -14.109 -19.294 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -54.577 -13.814 -20.210 1.00 0.00 H new ATOM 865 N ASP A 55 -63.619 -19.832 -7.229 1.00 0.00 N ATOM 866 CA ASP A 55 -64.341 -19.377 -6.008 1.00 0.00 C ATOM 867 C ASP A 55 -63.652 -19.946 -4.766 1.00 0.00 C ATOM 868 O ASP A 55 -63.771 -19.414 -3.680 1.00 0.00 O ATOM 869 CB ASP A 55 -65.789 -19.869 -6.058 1.00 0.00 C ATOM 870 CG ASP A 55 -66.538 -19.137 -7.174 1.00 0.00 C ATOM 871 OD1 ASP A 55 -65.994 -18.177 -7.695 1.00 0.00 O ATOM 872 OD2 ASP A 55 -67.642 -19.550 -7.490 1.00 0.00 O ATOM 0 HA ASP A 55 -64.329 -18.288 -5.964 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -65.813 -20.944 -6.234 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -66.278 -19.692 -5.100 1.00 0.00 H new ATOM 877 N GLN A 56 -62.932 -21.024 -4.917 1.00 0.00 N ATOM 878 CA GLN A 56 -62.237 -21.625 -3.744 1.00 0.00 C ATOM 879 C GLN A 56 -61.010 -20.783 -3.390 1.00 0.00 C ATOM 880 O GLN A 56 -60.574 -20.750 -2.257 1.00 0.00 O ATOM 881 CB GLN A 56 -61.798 -23.050 -4.088 1.00 0.00 C ATOM 882 CG GLN A 56 -63.033 -23.920 -4.329 1.00 0.00 C ATOM 883 CD GLN A 56 -62.595 -25.320 -4.765 1.00 0.00 C ATOM 884 OE1 GLN A 56 -61.459 -25.524 -5.143 1.00 0.00 O ATOM 885 NE2 GLN A 56 -63.455 -26.301 -4.726 1.00 0.00 N ATOM 0 H GLN A 56 -62.795 -21.514 -5.801 1.00 0.00 H new ATOM 0 HA GLN A 56 -62.916 -21.650 -2.892 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -61.166 -23.043 -4.976 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -61.201 -23.464 -3.275 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -63.631 -23.981 -3.420 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -63.664 -23.470 -5.095 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -64.409 -26.130 -4.409 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -63.173 -27.238 -5.013 1.00 0.00 H new ATOM 894 N GLN A 57 -60.449 -20.101 -4.352 1.00 0.00 N ATOM 895 CA GLN A 57 -59.250 -19.262 -4.068 1.00 0.00 C ATOM 896 C GLN A 57 -59.643 -18.104 -3.149 1.00 0.00 C ATOM 897 O GLN A 57 -58.943 -17.778 -2.211 1.00 0.00 O ATOM 898 CB GLN A 57 -58.695 -18.706 -5.381 1.00 0.00 C ATOM 899 CG GLN A 57 -58.238 -19.862 -6.273 1.00 0.00 C ATOM 900 CD GLN A 57 -57.384 -20.832 -5.454 1.00 0.00 C ATOM 901 OE1 GLN A 57 -56.647 -20.422 -4.580 1.00 0.00 O ATOM 902 NE2 GLN A 57 -57.451 -22.111 -5.703 1.00 0.00 N ATOM 0 H GLN A 57 -60.769 -20.089 -5.321 1.00 0.00 H new ATOM 0 HA GLN A 57 -58.488 -19.870 -3.580 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -59.459 -18.119 -5.891 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -57.859 -18.036 -5.180 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -59.103 -20.381 -6.685 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -57.664 -19.479 -7.117 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -58.070 -22.456 -6.437 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -56.885 -22.766 -5.164 1.00 0.00 H new ATOM 911 N GLN A 58 -60.759 -17.480 -3.411 1.00 0.00 N ATOM 912 CA GLN A 58 -61.197 -16.344 -2.551 1.00 0.00 C ATOM 913 C GLN A 58 -61.037 -16.729 -1.079 1.00 0.00 C ATOM 914 O GLN A 58 -60.601 -15.939 -0.263 1.00 0.00 O ATOM 915 CB GLN A 58 -62.664 -16.023 -2.840 1.00 0.00 C ATOM 916 CG GLN A 58 -62.830 -15.689 -4.324 1.00 0.00 C ATOM 917 CD GLN A 58 -64.316 -15.517 -4.646 1.00 0.00 C ATOM 918 OE1 GLN A 58 -65.167 -15.923 -3.879 1.00 0.00 O ATOM 919 NE2 GLN A 58 -64.666 -14.928 -5.756 1.00 0.00 N ATOM 0 H GLN A 58 -61.386 -17.707 -4.183 1.00 0.00 H new ATOM 0 HA GLN A 58 -60.585 -15.467 -2.765 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -63.292 -16.873 -2.575 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -62.991 -15.182 -2.228 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -62.287 -14.775 -4.565 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -62.404 -16.484 -4.936 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -63.952 -14.587 -6.400 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -65.654 -14.808 -5.980 1.00 0.00 H new ATOM 928 N ARG A 59 -61.384 -17.938 -0.733 1.00 0.00 N ATOM 929 CA ARG A 59 -61.249 -18.372 0.685 1.00 0.00 C ATOM 930 C ARG A 59 -59.864 -17.982 1.200 1.00 0.00 C ATOM 931 O ARG A 59 -59.693 -17.639 2.353 1.00 0.00 O ATOM 932 CB ARG A 59 -61.422 -19.889 0.775 1.00 0.00 C ATOM 933 CG ARG A 59 -62.860 -20.261 0.410 1.00 0.00 C ATOM 934 CD ARG A 59 -63.111 -21.730 0.755 1.00 0.00 C ATOM 935 NE ARG A 59 -62.188 -22.591 -0.036 1.00 0.00 N ATOM 936 CZ ARG A 59 -62.267 -23.890 0.056 1.00 0.00 C ATOM 937 NH1 ARG A 59 -63.401 -24.492 -0.179 1.00 0.00 N ATOM 938 NH2 ARG A 59 -61.213 -24.586 0.384 1.00 0.00 N ATOM 0 H ARG A 59 -61.755 -18.643 -1.370 1.00 0.00 H new ATOM 0 HA ARG A 59 -62.014 -17.887 1.291 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -60.724 -20.386 0.101 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -61.191 -20.233 1.783 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -63.560 -19.625 0.951 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -63.032 -20.092 -0.653 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -62.956 -21.896 1.821 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -64.146 -21.994 0.539 1.00 0.00 H new ATOM 0 HE ARG A 59 -61.494 -22.165 -0.650 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -64.224 -23.947 -0.434 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -63.464 -25.508 -0.107 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -60.328 -24.114 0.568 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -61.275 -25.602 0.456 1.00 0.00 H new ATOM 952 N CYS A 60 -58.873 -18.027 0.352 1.00 0.00 N ATOM 953 CA CYS A 60 -57.501 -17.653 0.792 1.00 0.00 C ATOM 954 C CYS A 60 -57.579 -16.385 1.640 1.00 0.00 C ATOM 955 O CYS A 60 -57.571 -16.436 2.854 1.00 0.00 O ATOM 956 CB CYS A 60 -56.624 -17.396 -0.436 1.00 0.00 C ATOM 957 SG CYS A 60 -55.032 -16.714 0.090 1.00 0.00 S ATOM 0 H CYS A 60 -58.955 -18.306 -0.626 1.00 0.00 H new ATOM 0 HA CYS A 60 -57.068 -18.462 1.380 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -56.470 -18.324 -0.986 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -57.123 -16.703 -1.113 1.00 0.00 H new ATOM 962 N CYS A 61 -57.660 -15.248 1.008 1.00 0.00 N ATOM 963 CA CYS A 61 -57.745 -13.975 1.776 1.00 0.00 C ATOM 964 C CYS A 61 -58.697 -14.163 2.957 1.00 0.00 C ATOM 965 O CYS A 61 -58.388 -13.819 4.080 1.00 0.00 O ATOM 966 CB CYS A 61 -58.271 -12.861 0.867 1.00 0.00 C ATOM 967 SG CYS A 61 -57.612 -11.268 1.419 1.00 0.00 S ATOM 0 H CYS A 61 -57.671 -15.145 -0.007 1.00 0.00 H new ATOM 0 HA CYS A 61 -56.755 -13.703 2.143 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -57.976 -13.050 -0.165 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -59.361 -12.843 0.889 1.00 0.00 H new ATOM 972 N ASP A 62 -59.853 -14.713 2.712 1.00 0.00 N ATOM 973 CA ASP A 62 -60.823 -14.927 3.823 1.00 0.00 C ATOM 974 C ASP A 62 -60.122 -15.649 4.973 1.00 0.00 C ATOM 975 O ASP A 62 -60.411 -15.420 6.130 1.00 0.00 O ATOM 976 CB ASP A 62 -61.996 -15.773 3.326 1.00 0.00 C ATOM 977 CG ASP A 62 -63.191 -15.586 4.263 1.00 0.00 C ATOM 978 OD1 ASP A 62 -63.070 -14.813 5.199 1.00 0.00 O ATOM 979 OD2 ASP A 62 -64.207 -16.220 4.029 1.00 0.00 O ATOM 0 H ASP A 62 -60.168 -15.023 1.793 1.00 0.00 H new ATOM 0 HA ASP A 62 -61.197 -13.964 4.170 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -62.266 -15.480 2.312 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -61.710 -16.824 3.289 1.00 0.00 H new ATOM 984 N GLU A 63 -59.197 -16.513 4.664 1.00 0.00 N ATOM 985 CA GLU A 63 -58.473 -17.240 5.742 1.00 0.00 C ATOM 986 C GLU A 63 -57.536 -16.267 6.454 1.00 0.00 C ATOM 987 O GLU A 63 -57.517 -16.182 7.664 1.00 0.00 O ATOM 988 CB GLU A 63 -57.661 -18.385 5.134 1.00 0.00 C ATOM 989 CG GLU A 63 -58.605 -19.518 4.725 1.00 0.00 C ATOM 990 CD GLU A 63 -57.785 -20.737 4.300 1.00 0.00 C ATOM 991 OE1 GLU A 63 -56.569 -20.658 4.359 1.00 0.00 O ATOM 992 OE2 GLU A 63 -58.386 -21.729 3.922 1.00 0.00 O ATOM 0 H GLU A 63 -58.911 -16.747 3.713 1.00 0.00 H new ATOM 0 HA GLU A 63 -59.188 -17.650 6.455 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -57.104 -18.030 4.267 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -56.929 -18.749 5.855 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -59.259 -19.779 5.557 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -59.246 -19.194 3.905 1.00 0.00 H new ATOM 999 N LEU A 64 -56.761 -15.523 5.713 1.00 0.00 N ATOM 1000 CA LEU A 64 -55.835 -14.552 6.355 1.00 0.00 C ATOM 1001 C LEU A 64 -56.653 -13.485 7.087 1.00 0.00 C ATOM 1002 O LEU A 64 -56.121 -12.678 7.822 1.00 0.00 O ATOM 1003 CB LEU A 64 -54.970 -13.885 5.284 1.00 0.00 C ATOM 1004 CG LEU A 64 -54.316 -14.959 4.413 1.00 0.00 C ATOM 1005 CD1 LEU A 64 -53.286 -14.307 3.488 1.00 0.00 C ATOM 1006 CD2 LEU A 64 -53.621 -15.987 5.307 1.00 0.00 C ATOM 0 H LEU A 64 -56.730 -15.546 4.694 1.00 0.00 H new ATOM 0 HA LEU A 64 -55.193 -15.073 7.065 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -55.580 -13.224 4.668 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -54.205 -13.267 5.753 1.00 0.00 H new ATOM 0 HG LEU A 64 -55.079 -15.456 3.814 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -52.819 -15.072 2.867 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -53.781 -13.574 2.851 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -52.523 -13.810 4.087 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -53.155 -16.753 4.687 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -52.858 -15.491 5.906 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -54.355 -16.451 5.966 1.00 0.00 H new ATOM 1018 N ASN A 65 -57.945 -13.476 6.893 1.00 0.00 N ATOM 1019 CA ASN A 65 -58.792 -12.463 7.580 1.00 0.00 C ATOM 1020 C ASN A 65 -59.019 -12.885 9.032 1.00 0.00 C ATOM 1021 O ASN A 65 -58.927 -12.086 9.942 1.00 0.00 O ATOM 1022 CB ASN A 65 -60.139 -12.351 6.863 1.00 0.00 C ATOM 1023 CG ASN A 65 -60.894 -11.127 7.384 1.00 0.00 C ATOM 1024 OD1 ASN A 65 -60.303 -10.231 7.953 1.00 0.00 O ATOM 1025 ND2 ASN A 65 -62.186 -11.050 7.212 1.00 0.00 N ATOM 0 H ASN A 65 -58.448 -14.126 6.289 1.00 0.00 H new ATOM 0 HA ASN A 65 -58.289 -11.496 7.559 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -59.984 -12.266 5.787 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -60.728 -13.253 7.030 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -62.699 -10.238 7.555 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -62.683 -11.802 6.734 1.00 0.00 H new ATOM 1032 N GLU A 66 -59.318 -14.134 9.257 1.00 0.00 N ATOM 1033 CA GLU A 66 -59.554 -14.598 10.655 1.00 0.00 C ATOM 1034 C GLU A 66 -58.927 -15.979 10.867 1.00 0.00 C ATOM 1035 O GLU A 66 -58.926 -16.507 11.961 1.00 0.00 O ATOM 1036 CB GLU A 66 -61.060 -14.679 10.917 1.00 0.00 C ATOM 1037 CG GLU A 66 -61.339 -14.346 12.384 1.00 0.00 C ATOM 1038 CD GLU A 66 -62.842 -14.139 12.584 1.00 0.00 C ATOM 1039 OE1 GLU A 66 -63.544 -14.045 11.591 1.00 0.00 O ATOM 1040 OE2 GLU A 66 -63.264 -14.079 13.727 1.00 0.00 O ATOM 0 H GLU A 66 -59.409 -14.852 8.538 1.00 0.00 H new ATOM 0 HA GLU A 66 -59.096 -13.890 11.346 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -61.591 -13.983 10.267 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -61.428 -15.678 10.683 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -60.984 -15.153 13.025 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -60.796 -13.447 12.673 1.00 0.00 H new ATOM 1093 N THR A 70 -53.550 -12.796 10.501 1.00 0.00 N ATOM 1094 CA THR A 70 -52.344 -12.016 10.105 1.00 0.00 C ATOM 1095 C THR A 70 -52.439 -10.602 10.683 1.00 0.00 C ATOM 1096 O THR A 70 -53.451 -10.213 11.231 1.00 0.00 O ATOM 1097 CB THR A 70 -52.264 -11.939 8.578 1.00 0.00 C ATOM 1098 OG1 THR A 70 -53.035 -10.836 8.120 1.00 0.00 O ATOM 1099 CG2 THR A 70 -52.808 -13.233 7.970 1.00 0.00 C ATOM 0 HA THR A 70 -51.451 -12.507 10.491 1.00 0.00 H new ATOM 0 HB THR A 70 -51.225 -11.808 8.274 1.00 0.00 H new ATOM 0 HG1 THR A 70 -53.006 -10.801 7.141 1.00 0.00 H new ATOM 0 HG21 THR A 70 -52.750 -13.177 6.883 1.00 0.00 H new ATOM 0 HG22 THR A 70 -52.215 -14.077 8.321 1.00 0.00 H new ATOM 0 HG23 THR A 70 -53.847 -13.368 8.272 1.00 0.00 H new ATOM 1107 N GLN A 71 -51.393 -9.831 10.566 1.00 0.00 N ATOM 1108 CA GLN A 71 -51.426 -8.444 11.110 1.00 0.00 C ATOM 1109 C GLN A 71 -50.645 -7.511 10.182 1.00 0.00 C ATOM 1110 O GLN A 71 -50.607 -7.702 8.983 1.00 0.00 O ATOM 1111 CB GLN A 71 -50.791 -8.426 12.502 1.00 0.00 C ATOM 1112 CG GLN A 71 -51.274 -9.639 13.300 1.00 0.00 C ATOM 1113 CD GLN A 71 -50.877 -9.472 14.769 1.00 0.00 C ATOM 1114 OE1 GLN A 71 -49.723 -9.250 15.076 1.00 0.00 O ATOM 1115 NE2 GLN A 71 -51.792 -9.571 15.695 1.00 0.00 N ATOM 0 H GLN A 71 -50.518 -10.101 10.118 1.00 0.00 H new ATOM 0 HA GLN A 71 -52.460 -8.106 11.177 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -49.704 -8.442 12.418 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -51.057 -7.506 13.022 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -52.356 -9.738 13.213 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -50.837 -10.552 12.895 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -52.761 -9.757 15.437 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -51.538 -9.462 16.677 1.00 0.00 H new ATOM 1124 N GLY A 72 -50.021 -6.502 10.727 1.00 0.00 N ATOM 1125 CA GLY A 72 -49.243 -5.558 9.876 1.00 0.00 C ATOM 1126 C GLY A 72 -48.121 -6.317 9.165 1.00 0.00 C ATOM 1127 O GLY A 72 -47.523 -5.826 8.229 1.00 0.00 O ATOM 0 H GLY A 72 -50.017 -6.291 11.725 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -49.899 -5.087 9.144 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -48.825 -4.760 10.489 1.00 0.00 H new ATOM 1131 N CYS A 73 -47.831 -7.513 9.601 1.00 0.00 N ATOM 1132 CA CYS A 73 -46.747 -8.301 8.948 1.00 0.00 C ATOM 1133 C CYS A 73 -47.224 -8.785 7.576 1.00 0.00 C ATOM 1134 O CYS A 73 -46.490 -9.413 6.838 1.00 0.00 O ATOM 1135 CB CYS A 73 -46.395 -9.506 9.823 1.00 0.00 C ATOM 1136 SG CYS A 73 -45.258 -8.986 11.133 1.00 0.00 S ATOM 0 H CYS A 73 -48.297 -7.978 10.380 1.00 0.00 H new ATOM 0 HA CYS A 73 -45.864 -7.673 8.824 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -47.300 -9.930 10.259 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -45.936 -10.288 9.217 1.00 0.00 H new ATOM 1141 N MET A 74 -48.449 -8.497 7.227 1.00 0.00 N ATOM 1142 CA MET A 74 -48.969 -8.939 5.904 1.00 0.00 C ATOM 1143 C MET A 74 -47.914 -8.673 4.829 1.00 0.00 C ATOM 1144 O MET A 74 -47.628 -9.518 4.004 1.00 0.00 O ATOM 1145 CB MET A 74 -50.244 -8.161 5.572 1.00 0.00 C ATOM 1146 CG MET A 74 -51.450 -8.870 6.189 1.00 0.00 C ATOM 1147 SD MET A 74 -51.607 -10.526 5.475 1.00 0.00 S ATOM 1148 CE MET A 74 -52.041 -10.009 3.796 1.00 0.00 C ATOM 0 H MET A 74 -49.111 -7.975 7.801 1.00 0.00 H new ATOM 0 HA MET A 74 -49.193 -10.005 5.938 1.00 0.00 H new ATOM 0 HB2 MET A 74 -50.172 -7.143 5.955 1.00 0.00 H new ATOM 0 HB3 MET A 74 -50.366 -8.087 4.491 1.00 0.00 H new ATOM 0 HG2 MET A 74 -51.331 -8.938 7.270 1.00 0.00 H new ATOM 0 HG3 MET A 74 -52.357 -8.295 6.004 1.00 0.00 H new ATOM 0 HE1 MET A 74 -52.748 -10.720 3.368 1.00 0.00 H new ATOM 0 HE2 MET A 74 -52.496 -9.019 3.826 1.00 0.00 H new ATOM 0 HE3 MET A 74 -51.141 -9.976 3.181 1.00 0.00 H new ATOM 1158 N CYS A 75 -47.330 -7.506 4.833 1.00 0.00 N ATOM 1159 CA CYS A 75 -46.292 -7.193 3.811 1.00 0.00 C ATOM 1160 C CYS A 75 -45.326 -8.372 3.698 1.00 0.00 C ATOM 1161 O CYS A 75 -45.064 -8.872 2.622 1.00 0.00 O ATOM 1162 CB CYS A 75 -45.522 -5.939 4.230 1.00 0.00 C ATOM 1163 SG CYS A 75 -46.232 -4.492 3.404 1.00 0.00 S ATOM 0 H CYS A 75 -47.526 -6.758 5.498 1.00 0.00 H new ATOM 0 HA CYS A 75 -46.769 -7.017 2.847 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -45.570 -5.814 5.312 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -44.469 -6.041 3.968 1.00 0.00 H new ATOM 0 HG CYS A 75 -45.580 -3.425 3.761 1.00 0.00 H new ATOM 1168 N GLU A 76 -44.800 -8.828 4.802 1.00 0.00 N ATOM 1169 CA GLU A 76 -43.860 -9.981 4.755 1.00 0.00 C ATOM 1170 C GLU A 76 -44.604 -11.209 4.230 1.00 0.00 C ATOM 1171 O GLU A 76 -44.012 -12.135 3.710 1.00 0.00 O ATOM 1172 CB GLU A 76 -43.329 -10.267 6.161 1.00 0.00 C ATOM 1173 CG GLU A 76 -42.514 -9.069 6.653 1.00 0.00 C ATOM 1174 CD GLU A 76 -41.949 -9.372 8.042 1.00 0.00 C ATOM 1175 OE1 GLU A 76 -42.330 -10.384 8.607 1.00 0.00 O ATOM 1176 OE2 GLU A 76 -41.146 -8.586 8.517 1.00 0.00 O ATOM 0 H GLU A 76 -44.981 -8.452 5.733 1.00 0.00 H new ATOM 0 HA GLU A 76 -43.024 -9.747 4.096 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -44.158 -10.460 6.842 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -42.709 -11.163 6.151 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -41.702 -8.857 5.957 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -43.142 -8.179 6.690 1.00 0.00 H new ATOM 1183 N ALA A 77 -45.904 -11.217 4.354 1.00 0.00 N ATOM 1184 CA ALA A 77 -46.692 -12.377 3.855 1.00 0.00 C ATOM 1185 C ALA A 77 -46.840 -12.266 2.338 1.00 0.00 C ATOM 1186 O ALA A 77 -46.518 -13.179 1.605 1.00 0.00 O ATOM 1187 CB ALA A 77 -48.076 -12.377 4.508 1.00 0.00 C ATOM 0 H ALA A 77 -46.453 -10.470 4.779 1.00 0.00 H new ATOM 0 HA ALA A 77 -46.178 -13.305 4.106 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -48.651 -13.227 4.141 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -47.968 -12.452 5.590 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -48.596 -11.452 4.258 1.00 0.00 H new ATOM 1193 N LEU A 78 -47.315 -11.149 1.859 1.00 0.00 N ATOM 1194 CA LEU A 78 -47.469 -10.982 0.388 1.00 0.00 C ATOM 1195 C LEU A 78 -46.090 -11.069 -0.264 1.00 0.00 C ATOM 1196 O LEU A 78 -45.904 -11.732 -1.266 1.00 0.00 O ATOM 1197 CB LEU A 78 -48.094 -9.618 0.087 1.00 0.00 C ATOM 1198 CG LEU A 78 -48.553 -9.579 -1.372 1.00 0.00 C ATOM 1199 CD1 LEU A 78 -49.692 -10.581 -1.576 1.00 0.00 C ATOM 1200 CD2 LEU A 78 -49.046 -8.172 -1.714 1.00 0.00 C ATOM 0 H LEU A 78 -47.602 -10.348 2.421 1.00 0.00 H new ATOM 0 HA LEU A 78 -48.117 -11.765 -0.007 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -48.940 -9.439 0.751 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -47.370 -8.825 0.273 1.00 0.00 H new ATOM 0 HG LEU A 78 -47.718 -9.840 -2.022 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -50.019 -10.553 -2.615 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -49.342 -11.584 -1.332 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -50.527 -10.320 -0.926 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -49.373 -8.144 -2.753 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -49.881 -7.911 -1.064 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -48.236 -7.457 -1.569 1.00 0.00 H new ATOM 1212 N GLN A 79 -45.117 -10.408 0.303 1.00 0.00 N ATOM 1213 CA GLN A 79 -43.747 -10.457 -0.276 1.00 0.00 C ATOM 1214 C GLN A 79 -43.283 -11.911 -0.347 1.00 0.00 C ATOM 1215 O GLN A 79 -42.643 -12.324 -1.294 1.00 0.00 O ATOM 1216 CB GLN A 79 -42.788 -9.656 0.608 1.00 0.00 C ATOM 1217 CG GLN A 79 -43.030 -8.160 0.398 1.00 0.00 C ATOM 1218 CD GLN A 79 -42.147 -7.361 1.359 1.00 0.00 C ATOM 1219 OE1 GLN A 79 -41.450 -7.929 2.176 1.00 0.00 O ATOM 1220 NE2 GLN A 79 -42.146 -6.058 1.294 1.00 0.00 N ATOM 0 H GLN A 79 -45.213 -9.836 1.142 1.00 0.00 H new ATOM 0 HA GLN A 79 -43.757 -10.027 -1.277 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -42.939 -9.916 1.656 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -41.756 -9.906 0.363 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -42.805 -7.885 -0.633 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -44.080 -7.923 0.569 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -42.731 -5.581 0.608 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -41.560 -5.516 1.929 1.00 0.00 H new ATOM 1229 N GLN A 80 -43.605 -12.693 0.646 1.00 0.00 N ATOM 1230 CA GLN A 80 -43.186 -14.122 0.630 1.00 0.00 C ATOM 1231 C GLN A 80 -43.817 -14.816 -0.577 1.00 0.00 C ATOM 1232 O GLN A 80 -43.155 -15.510 -1.322 1.00 0.00 O ATOM 1233 CB GLN A 80 -43.650 -14.806 1.917 1.00 0.00 C ATOM 1234 CG GLN A 80 -42.978 -16.175 2.038 1.00 0.00 C ATOM 1235 CD GLN A 80 -41.486 -15.987 2.320 1.00 0.00 C ATOM 1236 OE1 GLN A 80 -41.112 -15.453 3.345 1.00 0.00 O ATOM 1237 NE2 GLN A 80 -40.611 -16.407 1.447 1.00 0.00 N ATOM 0 H GLN A 80 -44.139 -12.405 1.466 1.00 0.00 H new ATOM 0 HA GLN A 80 -42.100 -14.186 0.562 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -43.400 -14.189 2.780 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -44.734 -14.920 1.910 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -43.441 -16.750 2.840 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -43.117 -16.743 1.118 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -40.924 -16.855 0.586 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -39.614 -16.287 1.626 1.00 0.00 H new ATOM 1246 N ILE A 81 -45.093 -14.630 -0.781 1.00 0.00 N ATOM 1247 CA ILE A 81 -45.760 -15.274 -1.946 1.00 0.00 C ATOM 1248 C ILE A 81 -44.946 -14.984 -3.208 1.00 0.00 C ATOM 1249 O ILE A 81 -44.409 -15.878 -3.836 1.00 0.00 O ATOM 1250 CB ILE A 81 -47.172 -14.707 -2.104 1.00 0.00 C ATOM 1251 CG1 ILE A 81 -47.970 -14.953 -0.822 1.00 0.00 C ATOM 1252 CG2 ILE A 81 -47.869 -15.397 -3.278 1.00 0.00 C ATOM 1253 CD1 ILE A 81 -49.428 -14.543 -1.041 1.00 0.00 C ATOM 0 H ILE A 81 -45.701 -14.061 -0.192 1.00 0.00 H new ATOM 0 HA ILE A 81 -45.822 -16.351 -1.788 1.00 0.00 H new ATOM 0 HB ILE A 81 -47.113 -13.635 -2.294 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -47.915 -16.005 -0.543 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -47.540 -14.382 0.001 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -48.875 -14.994 -3.392 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -47.302 -15.221 -4.192 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -47.927 -16.469 -3.088 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -49.996 -14.718 -0.128 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -49.474 -13.485 -1.299 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -49.854 -15.133 -1.852 1.00 0.00 H new ATOM 1265 N MET A 82 -44.842 -13.738 -3.583 1.00 0.00 N ATOM 1266 CA MET A 82 -44.056 -13.396 -4.798 1.00 0.00 C ATOM 1267 C MET A 82 -42.726 -14.145 -4.757 1.00 0.00 C ATOM 1268 O MET A 82 -42.338 -14.796 -5.706 1.00 0.00 O ATOM 1269 CB MET A 82 -43.794 -11.889 -4.834 1.00 0.00 C ATOM 1270 CG MET A 82 -45.126 -11.142 -4.934 1.00 0.00 C ATOM 1271 SD MET A 82 -44.812 -9.373 -5.160 1.00 0.00 S ATOM 1272 CE MET A 82 -44.082 -9.481 -6.812 1.00 0.00 C ATOM 0 H MET A 82 -45.267 -12.946 -3.101 1.00 0.00 H new ATOM 0 HA MET A 82 -44.614 -13.683 -5.689 1.00 0.00 H new ATOM 0 HB2 MET A 82 -43.258 -11.581 -3.936 1.00 0.00 H new ATOM 0 HB3 MET A 82 -43.160 -11.639 -5.685 1.00 0.00 H new ATOM 0 HG2 MET A 82 -45.710 -11.528 -5.770 1.00 0.00 H new ATOM 0 HG3 MET A 82 -45.715 -11.305 -4.032 1.00 0.00 H new ATOM 0 HE1 MET A 82 -44.306 -8.571 -7.369 1.00 0.00 H new ATOM 0 HE2 MET A 82 -43.002 -9.597 -6.726 1.00 0.00 H new ATOM 0 HE3 MET A 82 -44.498 -10.340 -7.338 1.00 0.00 H new ATOM 1282 N GLU A 83 -42.032 -14.068 -3.659 1.00 0.00 N ATOM 1283 CA GLU A 83 -40.732 -14.784 -3.550 1.00 0.00 C ATOM 1284 C GLU A 83 -40.988 -16.290 -3.594 1.00 0.00 C ATOM 1285 O GLU A 83 -40.113 -17.072 -3.909 1.00 0.00 O ATOM 1286 CB GLU A 83 -40.053 -14.418 -2.229 1.00 0.00 C ATOM 1287 CG GLU A 83 -38.699 -15.126 -2.138 1.00 0.00 C ATOM 1288 CD GLU A 83 -38.174 -15.041 -0.704 1.00 0.00 C ATOM 1289 OE1 GLU A 83 -38.874 -14.493 0.131 1.00 0.00 O ATOM 1290 OE2 GLU A 83 -37.080 -15.525 -0.465 1.00 0.00 O ATOM 0 H GLU A 83 -42.308 -13.540 -2.831 1.00 0.00 H new ATOM 0 HA GLU A 83 -40.083 -14.496 -4.377 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -39.916 -13.339 -2.165 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -40.685 -14.709 -1.390 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -38.801 -16.169 -2.438 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -37.989 -14.665 -2.824 1.00 0.00 H new ATOM 1297 N ASN A 84 -42.186 -16.702 -3.281 1.00 0.00 N ATOM 1298 CA ASN A 84 -42.504 -18.156 -3.305 1.00 0.00 C ATOM 1299 C ASN A 84 -42.578 -18.636 -4.755 1.00 0.00 C ATOM 1300 O ASN A 84 -42.412 -19.806 -5.037 1.00 0.00 O ATOM 1301 CB ASN A 84 -43.849 -18.399 -2.618 1.00 0.00 C ATOM 1302 CG ASN A 84 -43.750 -18.004 -1.144 1.00 0.00 C ATOM 1303 OD1 ASN A 84 -42.667 -17.833 -0.620 1.00 0.00 O ATOM 1304 ND2 ASN A 84 -44.843 -17.850 -0.447 1.00 0.00 N ATOM 0 H ASN A 84 -42.958 -16.093 -3.010 1.00 0.00 H new ATOM 0 HA ASN A 84 -41.725 -18.706 -2.778 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -44.630 -17.818 -3.109 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -44.129 -19.449 -2.706 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -44.788 -17.586 0.537 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -45.752 -17.993 -0.886 1.00 0.00 H new ATOM 1311 N GLN A 85 -42.821 -17.745 -5.680 1.00 0.00 N ATOM 1312 CA GLN A 85 -42.899 -18.163 -7.110 1.00 0.00 C ATOM 1313 C GLN A 85 -42.674 -16.947 -8.017 1.00 0.00 C ATOM 1314 O GLN A 85 -43.426 -16.704 -8.940 1.00 0.00 O ATOM 1315 CB GLN A 85 -44.280 -18.759 -7.393 1.00 0.00 C ATOM 1316 CG GLN A 85 -44.541 -19.922 -6.434 1.00 0.00 C ATOM 1317 CD GLN A 85 -45.835 -20.634 -6.836 1.00 0.00 C ATOM 1318 OE1 GLN A 85 -46.762 -20.010 -7.311 1.00 0.00 O ATOM 1319 NE2 GLN A 85 -45.936 -21.924 -6.664 1.00 0.00 N ATOM 0 H GLN A 85 -42.968 -16.750 -5.508 1.00 0.00 H new ATOM 0 HA GLN A 85 -42.131 -18.910 -7.309 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -45.049 -17.996 -7.273 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -44.333 -19.106 -8.425 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -43.706 -20.622 -6.458 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -44.619 -19.554 -5.411 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -45.157 -22.448 -6.265 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -46.794 -22.408 -6.929 1.00 0.00 H new ATOM 1328 N CYS A 86 -41.645 -16.183 -7.765 1.00 0.00 N ATOM 1329 CA CYS A 86 -41.377 -14.986 -8.616 1.00 0.00 C ATOM 1330 C CYS A 86 -40.066 -15.187 -9.382 1.00 0.00 C ATOM 1331 O CYS A 86 -39.703 -14.395 -10.229 1.00 0.00 O ATOM 1332 CB CYS A 86 -41.267 -13.743 -7.726 1.00 0.00 C ATOM 1333 SG CYS A 86 -40.612 -12.356 -8.688 1.00 0.00 S ATOM 0 H CYS A 86 -40.979 -16.335 -7.008 1.00 0.00 H new ATOM 0 HA CYS A 86 -42.193 -14.853 -9.326 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -42.246 -13.487 -7.321 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -40.615 -13.949 -6.877 1.00 0.00 H new ATOM 0 HG CYS A 86 -39.847 -12.809 -9.637 1.00 0.00 H new ATOM 1338 N ASP A 87 -39.353 -16.239 -9.091 1.00 0.00 N ATOM 1339 CA ASP A 87 -38.066 -16.488 -9.800 1.00 0.00 C ATOM 1340 C ASP A 87 -38.279 -16.386 -11.313 1.00 0.00 C ATOM 1341 O ASP A 87 -37.347 -16.185 -12.066 1.00 0.00 O ATOM 1342 CB ASP A 87 -37.555 -17.886 -9.449 1.00 0.00 C ATOM 1343 CG ASP A 87 -37.382 -18.000 -7.933 1.00 0.00 C ATOM 1344 OD1 ASP A 87 -37.270 -16.968 -7.291 1.00 0.00 O ATOM 1345 OD2 ASP A 87 -37.365 -19.116 -7.441 1.00 0.00 O ATOM 0 H ASP A 87 -39.606 -16.938 -8.392 1.00 0.00 H new ATOM 0 HA ASP A 87 -37.334 -15.743 -9.490 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -38.257 -18.641 -9.803 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -36.605 -18.074 -9.949 1.00 0.00 H new ATOM 1350 N ARG A 88 -39.495 -16.526 -11.766 1.00 0.00 N ATOM 1351 CA ARG A 88 -39.757 -16.439 -13.231 1.00 0.00 C ATOM 1352 C ARG A 88 -40.542 -15.162 -13.539 1.00 0.00 C ATOM 1353 O ARG A 88 -41.030 -14.971 -14.635 1.00 0.00 O ATOM 1354 CB ARG A 88 -40.569 -17.656 -13.677 1.00 0.00 C ATOM 1355 CG ARG A 88 -39.708 -18.915 -13.551 1.00 0.00 C ATOM 1356 CD ARG A 88 -40.438 -20.098 -14.191 1.00 0.00 C ATOM 1357 NE ARG A 88 -40.476 -19.917 -15.670 1.00 0.00 N ATOM 1358 CZ ARG A 88 -41.621 -19.905 -16.296 1.00 0.00 C ATOM 1359 NH1 ARG A 88 -42.609 -20.641 -15.865 1.00 0.00 N ATOM 1360 NH2 ARG A 88 -41.779 -19.157 -17.354 1.00 0.00 N ATOM 0 H ARG A 88 -40.317 -16.697 -11.186 1.00 0.00 H new ATOM 0 HA ARG A 88 -38.808 -16.418 -13.767 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -41.466 -17.753 -13.065 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -40.899 -17.529 -14.708 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -38.746 -18.761 -14.039 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -39.503 -19.125 -12.501 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -39.931 -21.030 -13.941 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -41.452 -20.170 -13.797 1.00 0.00 H new ATOM 0 HE ARG A 88 -39.608 -19.803 -16.193 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -42.486 -21.226 -15.038 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -43.504 -20.631 -16.355 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -41.007 -18.582 -17.692 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -42.674 -19.148 -17.843 1.00 0.00 H new ATOM 1374 N LEU A 89 -40.667 -14.285 -12.581 1.00 0.00 N ATOM 1375 CA LEU A 89 -41.420 -13.021 -12.821 1.00 0.00 C ATOM 1376 C LEU A 89 -40.635 -12.136 -13.792 1.00 0.00 C ATOM 1377 O LEU A 89 -41.171 -11.632 -14.759 1.00 0.00 O ATOM 1378 CB LEU A 89 -41.609 -12.284 -11.493 1.00 0.00 C ATOM 1379 CG LEU A 89 -42.730 -11.253 -11.633 1.00 0.00 C ATOM 1380 CD1 LEU A 89 -44.084 -11.959 -11.548 1.00 0.00 C ATOM 1381 CD2 LEU A 89 -42.621 -10.225 -10.505 1.00 0.00 C ATOM 0 H LEU A 89 -40.281 -14.389 -11.643 1.00 0.00 H new ATOM 0 HA LEU A 89 -42.395 -13.252 -13.251 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -41.851 -12.994 -10.703 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -40.681 -11.790 -11.204 1.00 0.00 H new ATOM 0 HG LEU A 89 -42.642 -10.748 -12.595 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -44.884 -11.225 -11.648 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -44.163 -12.693 -12.350 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -44.172 -12.463 -10.585 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -43.420 -9.490 -10.604 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -42.710 -10.730 -9.543 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -41.656 -9.722 -10.563 1.00 0.00 H new ATOM 1393 N GLN A 90 -39.368 -11.944 -13.543 1.00 0.00 N ATOM 1394 CA GLN A 90 -38.551 -11.093 -14.454 1.00 0.00 C ATOM 1395 C GLN A 90 -38.613 -11.658 -15.874 1.00 0.00 C ATOM 1396 O GLN A 90 -38.519 -10.934 -16.845 1.00 0.00 O ATOM 1397 CB GLN A 90 -37.098 -11.082 -13.974 1.00 0.00 C ATOM 1398 CG GLN A 90 -37.041 -10.598 -12.525 1.00 0.00 C ATOM 1399 CD GLN A 90 -35.611 -10.734 -11.998 1.00 0.00 C ATOM 1400 OE1 GLN A 90 -34.824 -11.489 -12.534 1.00 0.00 O ATOM 1401 NE2 GLN A 90 -35.240 -10.031 -10.964 1.00 0.00 N ATOM 0 H GLN A 90 -38.864 -12.339 -12.749 1.00 0.00 H new ATOM 0 HA GLN A 90 -38.944 -10.076 -14.450 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -36.671 -12.082 -14.051 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -36.499 -10.430 -14.610 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -37.365 -9.559 -12.464 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -37.724 -11.182 -11.908 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -35.901 -9.397 -10.514 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -34.289 -10.115 -10.605 1.00 0.00 H new ATOM 1410 N ASP A 91 -38.768 -12.947 -16.004 1.00 0.00 N ATOM 1411 CA ASP A 91 -38.834 -13.558 -17.361 1.00 0.00 C ATOM 1412 C ASP A 91 -39.845 -12.796 -18.220 1.00 0.00 C ATOM 1413 O ASP A 91 -39.626 -12.564 -19.393 1.00 0.00 O ATOM 1414 CB ASP A 91 -39.267 -15.021 -17.242 1.00 0.00 C ATOM 1415 CG ASP A 91 -38.117 -15.848 -16.663 1.00 0.00 C ATOM 1416 OD1 ASP A 91 -37.039 -15.299 -16.506 1.00 0.00 O ATOM 1417 OD2 ASP A 91 -38.334 -17.016 -16.386 1.00 0.00 O ATOM 0 H ASP A 91 -38.852 -13.604 -15.228 1.00 0.00 H new ATOM 0 HA ASP A 91 -37.851 -13.506 -17.828 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -40.145 -15.101 -16.601 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -39.551 -15.408 -18.221 1.00 0.00 H new ATOM 1422 N ARG A 92 -40.952 -12.408 -17.649 1.00 0.00 N ATOM 1423 CA ARG A 92 -41.975 -11.664 -18.438 1.00 0.00 C ATOM 1424 C ARG A 92 -42.467 -10.459 -17.633 1.00 0.00 C ATOM 1425 O ARG A 92 -41.985 -10.181 -16.553 1.00 0.00 O ATOM 1426 CB ARG A 92 -43.154 -12.589 -18.744 1.00 0.00 C ATOM 1427 CG ARG A 92 -42.668 -13.773 -19.582 1.00 0.00 C ATOM 1428 CD ARG A 92 -43.843 -14.708 -19.875 1.00 0.00 C ATOM 1429 NE ARG A 92 -44.877 -13.974 -20.658 1.00 0.00 N ATOM 1430 CZ ARG A 92 -44.756 -13.859 -21.952 1.00 0.00 C ATOM 1431 NH1 ARG A 92 -44.505 -12.694 -22.483 1.00 0.00 N ATOM 1432 NH2 ARG A 92 -44.884 -14.910 -22.715 1.00 0.00 N ATOM 0 H ARG A 92 -41.193 -12.573 -16.672 1.00 0.00 H new ATOM 0 HA ARG A 92 -41.532 -11.318 -19.372 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -43.601 -12.945 -17.816 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -43.929 -12.043 -19.282 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -42.232 -13.417 -20.515 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -41.885 -14.312 -19.049 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -43.499 -15.579 -20.433 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -44.271 -15.076 -18.942 1.00 0.00 H new ATOM 0 HE ARG A 92 -45.679 -13.561 -20.182 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -44.403 -11.873 -21.886 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -44.410 -12.604 -23.495 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -45.079 -15.821 -22.300 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -44.789 -14.820 -23.727 1.00 0.00 H new ATOM 1446 N GLN A 93 -43.426 -9.741 -18.152 1.00 0.00 N ATOM 1447 CA GLN A 93 -43.950 -8.554 -17.419 1.00 0.00 C ATOM 1448 C GLN A 93 -44.978 -9.007 -16.379 1.00 0.00 C ATOM 1449 O GLN A 93 -45.612 -8.200 -15.729 1.00 0.00 O ATOM 1450 CB GLN A 93 -44.617 -7.596 -18.409 1.00 0.00 C ATOM 1451 CG GLN A 93 -43.546 -6.926 -19.272 1.00 0.00 C ATOM 1452 CD GLN A 93 -44.200 -5.866 -20.162 1.00 0.00 C ATOM 1453 OE1 GLN A 93 -45.406 -5.836 -20.304 1.00 0.00 O ATOM 1454 NE2 GLN A 93 -43.450 -4.989 -20.771 1.00 0.00 N ATOM 0 H GLN A 93 -43.869 -9.925 -19.052 1.00 0.00 H new ATOM 0 HA GLN A 93 -43.126 -8.045 -16.918 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -45.320 -8.140 -19.040 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -45.190 -6.841 -17.871 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -42.787 -6.467 -18.638 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -43.040 -7.671 -19.886 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -42.437 -5.014 -20.652 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -43.876 -4.279 -21.366 1.00 0.00 H new ATOM 1463 N MET A 94 -45.151 -10.291 -16.220 1.00 0.00 N ATOM 1464 CA MET A 94 -46.140 -10.793 -15.225 1.00 0.00 C ATOM 1465 C MET A 94 -46.053 -9.955 -13.948 1.00 0.00 C ATOM 1466 O MET A 94 -47.024 -9.789 -13.236 1.00 0.00 O ATOM 1467 CB MET A 94 -45.838 -12.256 -14.893 1.00 0.00 C ATOM 1468 CG MET A 94 -46.936 -12.805 -13.980 1.00 0.00 C ATOM 1469 SD MET A 94 -46.217 -13.983 -12.808 1.00 0.00 S ATOM 1470 CE MET A 94 -46.901 -13.248 -11.301 1.00 0.00 C ATOM 0 H MET A 94 -44.650 -11.014 -16.736 1.00 0.00 H new ATOM 0 HA MET A 94 -47.143 -10.715 -15.644 1.00 0.00 H new ATOM 0 HB2 MET A 94 -45.783 -12.845 -15.809 1.00 0.00 H new ATOM 0 HB3 MET A 94 -44.868 -12.337 -14.403 1.00 0.00 H new ATOM 0 HG2 MET A 94 -47.418 -11.989 -13.442 1.00 0.00 H new ATOM 0 HG3 MET A 94 -47.708 -13.293 -14.575 1.00 0.00 H new ATOM 0 HE1 MET A 94 -46.391 -13.661 -10.431 1.00 0.00 H new ATOM 0 HE2 MET A 94 -46.759 -12.168 -11.326 1.00 0.00 H new ATOM 0 HE3 MET A 94 -47.966 -13.473 -11.237 1.00 0.00 H new ATOM 1480 N VAL A 95 -44.898 -9.427 -13.651 1.00 0.00 N ATOM 1481 CA VAL A 95 -44.749 -8.602 -12.419 1.00 0.00 C ATOM 1482 C VAL A 95 -45.735 -7.433 -12.461 1.00 0.00 C ATOM 1483 O VAL A 95 -46.195 -6.960 -11.441 1.00 0.00 O ATOM 1484 CB VAL A 95 -43.320 -8.060 -12.339 1.00 0.00 C ATOM 1485 CG1 VAL A 95 -43.078 -7.085 -13.492 1.00 0.00 C ATOM 1486 CG2 VAL A 95 -43.124 -7.333 -11.007 1.00 0.00 C ATOM 0 H VAL A 95 -44.050 -9.531 -14.208 1.00 0.00 H new ATOM 0 HA VAL A 95 -44.956 -9.218 -11.544 1.00 0.00 H new ATOM 0 HB VAL A 95 -42.614 -8.887 -12.409 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -42.060 -6.699 -13.435 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -43.217 -7.602 -14.441 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -43.784 -6.257 -13.423 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -42.106 -6.947 -10.950 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -43.830 -6.506 -10.936 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -43.295 -8.028 -10.185 1.00 0.00 H new ATOM 1496 N GLN A 96 -46.064 -6.963 -13.632 1.00 0.00 N ATOM 1497 CA GLN A 96 -47.020 -5.825 -13.735 1.00 0.00 C ATOM 1498 C GLN A 96 -48.425 -6.305 -13.373 1.00 0.00 C ATOM 1499 O GLN A 96 -48.857 -6.190 -12.243 1.00 0.00 O ATOM 1500 CB GLN A 96 -47.019 -5.283 -15.166 1.00 0.00 C ATOM 1501 CG GLN A 96 -48.161 -4.278 -15.330 1.00 0.00 C ATOM 1502 CD GLN A 96 -48.049 -3.597 -16.696 1.00 0.00 C ATOM 1503 OE1 GLN A 96 -48.498 -4.129 -17.691 1.00 0.00 O ATOM 1504 NE2 GLN A 96 -47.465 -2.434 -16.785 1.00 0.00 N ATOM 0 H GLN A 96 -45.713 -7.317 -14.522 1.00 0.00 H new ATOM 0 HA GLN A 96 -46.717 -5.035 -13.048 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -46.064 -4.804 -15.385 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -47.135 -6.101 -15.877 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -49.122 -4.785 -15.242 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -48.121 -3.533 -14.536 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -47.088 -1.987 -15.949 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -47.385 -1.971 -17.690 1.00 0.00 H new ATOM 1513 N GLN A 97 -49.140 -6.843 -14.322 1.00 0.00 N ATOM 1514 CA GLN A 97 -50.517 -7.333 -14.033 1.00 0.00 C ATOM 1515 C GLN A 97 -50.532 -8.021 -12.667 1.00 0.00 C ATOM 1516 O GLN A 97 -51.337 -7.708 -11.812 1.00 0.00 O ATOM 1517 CB GLN A 97 -50.943 -8.329 -15.113 1.00 0.00 C ATOM 1518 CG GLN A 97 -50.986 -7.623 -16.469 1.00 0.00 C ATOM 1519 CD GLN A 97 -51.142 -8.662 -17.581 1.00 0.00 C ATOM 1520 OE1 GLN A 97 -51.072 -9.849 -17.333 1.00 0.00 O ATOM 1521 NE2 GLN A 97 -51.352 -8.263 -18.806 1.00 0.00 N ATOM 0 H GLN A 97 -48.830 -6.965 -15.286 1.00 0.00 H new ATOM 0 HA GLN A 97 -51.210 -6.492 -14.025 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -50.244 -9.165 -15.148 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -51.923 -8.743 -14.875 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -51.816 -6.917 -16.497 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -50.073 -7.047 -16.620 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -51.411 -7.266 -19.015 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -51.457 -8.948 -19.554 1.00 0.00 H new ATOM 1530 N PHE A 98 -49.643 -8.951 -12.453 1.00 0.00 N ATOM 1531 CA PHE A 98 -49.606 -9.649 -11.139 1.00 0.00 C ATOM 1532 C PHE A 98 -49.583 -8.606 -10.024 1.00 0.00 C ATOM 1533 O PHE A 98 -50.227 -8.756 -9.005 1.00 0.00 O ATOM 1534 CB PHE A 98 -48.353 -10.521 -11.048 1.00 0.00 C ATOM 1535 CG PHE A 98 -48.284 -11.161 -9.680 1.00 0.00 C ATOM 1536 CD1 PHE A 98 -49.462 -11.433 -8.973 1.00 0.00 C ATOM 1537 CD2 PHE A 98 -47.041 -11.482 -9.120 1.00 0.00 C ATOM 1538 CE1 PHE A 98 -49.397 -12.025 -7.707 1.00 0.00 C ATOM 1539 CE2 PHE A 98 -46.977 -12.074 -7.853 1.00 0.00 C ATOM 1540 CZ PHE A 98 -48.154 -12.346 -7.147 1.00 0.00 C ATOM 0 H PHE A 98 -48.943 -9.257 -13.129 1.00 0.00 H new ATOM 0 HA PHE A 98 -50.487 -10.282 -11.038 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -48.375 -11.290 -11.820 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -47.463 -9.917 -11.224 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -50.420 -11.186 -9.405 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -46.132 -11.273 -9.665 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -50.305 -12.234 -7.162 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -46.019 -12.321 -7.420 1.00 0.00 H new ATOM 0 HZ PHE A 98 -48.104 -12.804 -6.170 1.00 0.00 H new ATOM 1550 N LYS A 99 -48.850 -7.544 -10.213 1.00 0.00 N ATOM 1551 CA LYS A 99 -48.793 -6.487 -9.166 1.00 0.00 C ATOM 1552 C LYS A 99 -50.187 -5.891 -8.984 1.00 0.00 C ATOM 1553 O LYS A 99 -50.650 -5.691 -7.878 1.00 0.00 O ATOM 1554 CB LYS A 99 -47.818 -5.390 -9.597 1.00 0.00 C ATOM 1555 CG LYS A 99 -47.707 -4.344 -8.486 1.00 0.00 C ATOM 1556 CD LYS A 99 -46.876 -4.910 -7.334 1.00 0.00 C ATOM 1557 CE LYS A 99 -46.675 -3.829 -6.270 1.00 0.00 C ATOM 1558 NZ LYS A 99 -45.217 -3.583 -6.082 1.00 0.00 N ATOM 0 H LYS A 99 -48.289 -7.363 -11.046 1.00 0.00 H new ATOM 0 HA LYS A 99 -48.452 -6.919 -8.225 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -46.838 -5.820 -9.806 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -48.164 -4.922 -10.519 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -47.243 -3.436 -8.872 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -48.700 -4.068 -8.131 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -47.379 -5.774 -6.899 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -45.910 -5.255 -7.704 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -47.174 -2.908 -6.573 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -47.126 -4.142 -5.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -45.079 -2.848 -5.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -44.753 -4.462 -5.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -44.800 -3.267 -6.981 1.00 0.00 H new ATOM 1572 N ARG A 100 -50.865 -5.615 -10.062 1.00 0.00 N ATOM 1573 CA ARG A 100 -52.234 -5.042 -9.953 1.00 0.00 C ATOM 1574 C ARG A 100 -53.128 -6.038 -9.216 1.00 0.00 C ATOM 1575 O ARG A 100 -53.782 -5.702 -8.249 1.00 0.00 O ATOM 1576 CB ARG A 100 -52.796 -4.782 -11.352 1.00 0.00 C ATOM 1577 CG ARG A 100 -54.053 -3.916 -11.243 1.00 0.00 C ATOM 1578 CD ARG A 100 -54.561 -3.574 -12.645 1.00 0.00 C ATOM 1579 NE ARG A 100 -54.871 -4.833 -13.381 1.00 0.00 N ATOM 1580 CZ ARG A 100 -54.437 -4.999 -14.601 1.00 0.00 C ATOM 1581 NH1 ARG A 100 -53.228 -4.626 -14.919 1.00 0.00 N ATOM 1582 NH2 ARG A 100 -55.211 -5.539 -15.501 1.00 0.00 N ATOM 0 H ARG A 100 -50.530 -5.762 -11.014 1.00 0.00 H new ATOM 0 HA ARG A 100 -52.199 -4.101 -9.404 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -52.049 -4.282 -11.969 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -53.033 -5.726 -11.842 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -54.825 -4.445 -10.684 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -53.831 -3.002 -10.692 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -55.452 -2.950 -12.579 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -53.809 -2.999 -13.186 1.00 0.00 H new ATOM 0 HE ARG A 100 -55.422 -5.564 -12.932 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -52.622 -4.205 -14.215 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -52.888 -4.755 -15.872 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -56.156 -5.832 -15.252 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -54.872 -5.669 -16.454 1.00 0.00 H new ATOM 1596 N GLU A 101 -53.150 -7.267 -9.655 1.00 0.00 N ATOM 1597 CA GLU A 101 -53.988 -8.283 -8.964 1.00 0.00 C ATOM 1598 C GLU A 101 -53.423 -8.504 -7.562 1.00 0.00 C ATOM 1599 O GLU A 101 -54.147 -8.549 -6.587 1.00 0.00 O ATOM 1600 CB GLU A 101 -53.953 -9.598 -9.746 1.00 0.00 C ATOM 1601 CG GLU A 101 -55.033 -10.539 -9.211 1.00 0.00 C ATOM 1602 CD GLU A 101 -54.913 -11.898 -9.903 1.00 0.00 C ATOM 1603 OE1 GLU A 101 -53.969 -12.076 -10.655 1.00 0.00 O ATOM 1604 OE2 GLU A 101 -55.767 -12.738 -9.670 1.00 0.00 O ATOM 0 H GLU A 101 -52.625 -7.609 -10.460 1.00 0.00 H new ATOM 0 HA GLU A 101 -55.020 -7.937 -8.902 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -54.115 -9.407 -10.807 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -52.972 -10.063 -9.652 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -54.926 -10.657 -8.133 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -56.021 -10.114 -9.389 1.00 0.00 H new ATOM 1611 N LEU A 102 -52.129 -8.632 -7.456 1.00 0.00 N ATOM 1612 CA LEU A 102 -51.505 -8.839 -6.121 1.00 0.00 C ATOM 1613 C LEU A 102 -51.880 -7.671 -5.207 1.00 0.00 C ATOM 1614 O LEU A 102 -51.921 -7.801 -4.000 1.00 0.00 O ATOM 1615 CB LEU A 102 -49.984 -8.901 -6.274 1.00 0.00 C ATOM 1616 CG LEU A 102 -49.364 -9.478 -5.000 1.00 0.00 C ATOM 1617 CD1 LEU A 102 -50.044 -10.805 -4.658 1.00 0.00 C ATOM 1618 CD2 LEU A 102 -47.869 -9.714 -5.223 1.00 0.00 C ATOM 0 H LEU A 102 -51.476 -8.602 -8.239 1.00 0.00 H new ATOM 0 HA LEU A 102 -51.862 -9.773 -5.688 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -49.719 -9.519 -7.132 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -49.586 -7.904 -6.465 1.00 0.00 H new ATOM 0 HG LEU A 102 -49.503 -8.776 -4.178 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -49.603 -11.217 -3.750 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -51.109 -10.638 -4.500 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -49.905 -11.507 -5.480 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -47.426 -10.125 -4.316 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -47.730 -10.416 -6.045 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -47.384 -8.769 -5.467 1.00 0.00 H new ATOM 1630 N MET A 103 -52.155 -6.528 -5.777 1.00 0.00 N ATOM 1631 CA MET A 103 -52.529 -5.352 -4.944 1.00 0.00 C ATOM 1632 C MET A 103 -53.964 -5.521 -4.441 1.00 0.00 C ATOM 1633 O MET A 103 -54.338 -4.993 -3.413 1.00 0.00 O ATOM 1634 CB MET A 103 -52.428 -4.078 -5.786 1.00 0.00 C ATOM 1635 CG MET A 103 -51.007 -3.519 -5.695 1.00 0.00 C ATOM 1636 SD MET A 103 -50.716 -2.877 -4.028 1.00 0.00 S ATOM 1637 CE MET A 103 -52.029 -1.631 -4.032 1.00 0.00 C ATOM 0 H MET A 103 -52.136 -6.360 -6.783 1.00 0.00 H new ATOM 0 HA MET A 103 -51.852 -5.278 -4.093 1.00 0.00 H new ATOM 0 HB2 MET A 103 -52.679 -4.294 -6.824 1.00 0.00 H new ATOM 0 HB3 MET A 103 -53.145 -3.337 -5.432 1.00 0.00 H new ATOM 0 HG2 MET A 103 -50.282 -4.299 -5.927 1.00 0.00 H new ATOM 0 HG3 MET A 103 -50.869 -2.727 -6.431 1.00 0.00 H new ATOM 0 HE1 MET A 103 -51.689 -0.742 -3.500 1.00 0.00 H new ATOM 0 HE2 MET A 103 -52.276 -1.366 -5.060 1.00 0.00 H new ATOM 0 HE3 MET A 103 -52.914 -2.033 -3.538 1.00 0.00 H new ATOM 1647 N SER A 104 -54.771 -6.254 -5.157 1.00 0.00 N ATOM 1648 CA SER A 104 -56.180 -6.457 -4.718 1.00 0.00 C ATOM 1649 C SER A 104 -56.229 -7.558 -3.655 1.00 0.00 C ATOM 1650 O SER A 104 -57.067 -7.546 -2.775 1.00 0.00 O ATOM 1651 CB SER A 104 -57.035 -6.867 -5.918 1.00 0.00 C ATOM 1652 OG SER A 104 -56.544 -8.085 -6.457 1.00 0.00 O ATOM 0 H SER A 104 -54.516 -6.721 -6.027 1.00 0.00 H new ATOM 0 HA SER A 104 -56.567 -5.529 -4.298 1.00 0.00 H new ATOM 0 HB2 SER A 104 -58.075 -6.985 -5.613 1.00 0.00 H new ATOM 0 HB3 SER A 104 -57.012 -6.086 -6.678 1.00 0.00 H new ATOM 0 HG SER A 104 -55.667 -7.932 -6.866 1.00 0.00 H new ATOM 1658 N LEU A 105 -55.339 -8.510 -3.731 1.00 0.00 N ATOM 1659 CA LEU A 105 -55.339 -9.610 -2.725 1.00 0.00 C ATOM 1660 C LEU A 105 -55.398 -9.019 -1.315 1.00 0.00 C ATOM 1661 O LEU A 105 -56.218 -9.410 -0.508 1.00 0.00 O ATOM 1662 CB LEU A 105 -54.068 -10.448 -2.878 1.00 0.00 C ATOM 1663 CG LEU A 105 -54.360 -11.660 -3.766 1.00 0.00 C ATOM 1664 CD1 LEU A 105 -53.126 -12.563 -3.818 1.00 0.00 C ATOM 1665 CD2 LEU A 105 -55.541 -12.444 -3.191 1.00 0.00 C ATOM 0 H LEU A 105 -54.613 -8.574 -4.445 1.00 0.00 H new ATOM 0 HA LEU A 105 -56.211 -10.244 -2.886 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -53.273 -9.845 -3.317 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -53.716 -10.777 -1.900 1.00 0.00 H new ATOM 0 HG LEU A 105 -54.606 -11.321 -4.772 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -53.333 -13.426 -4.450 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -52.284 -12.006 -4.229 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -52.880 -12.901 -2.811 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -55.748 -13.307 -3.824 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -55.297 -12.783 -2.184 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -56.421 -11.802 -3.154 1.00 0.00 H new ATOM 1677 N PRO A 106 -54.516 -8.052 -1.011 1.00 0.00 N ATOM 1678 CA PRO A 106 -54.485 -7.409 0.306 1.00 0.00 C ATOM 1679 C PRO A 106 -55.738 -6.561 0.531 1.00 0.00 C ATOM 1680 O PRO A 106 -55.962 -6.030 1.600 1.00 0.00 O ATOM 1681 CB PRO A 106 -53.241 -6.523 0.247 1.00 0.00 C ATOM 1682 CG PRO A 106 -53.039 -6.262 -1.207 1.00 0.00 C ATOM 1683 CD PRO A 106 -53.489 -7.508 -1.918 1.00 0.00 C ATOM 0 HA PRO A 106 -54.458 -8.129 1.124 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -53.387 -5.595 0.800 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -52.377 -7.022 0.685 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -53.617 -5.397 -1.532 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -51.993 -6.046 -1.423 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -53.898 -7.285 -2.904 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -52.667 -8.209 -2.064 1.00 0.00 H new ATOM 1691 N GLN A 107 -56.561 -6.443 -0.476 1.00 0.00 N ATOM 1692 CA GLN A 107 -57.809 -5.645 -0.334 1.00 0.00 C ATOM 1693 C GLN A 107 -58.953 -6.581 0.051 1.00 0.00 C ATOM 1694 O GLN A 107 -59.742 -6.288 0.927 1.00 0.00 O ATOM 1695 CB GLN A 107 -58.135 -4.965 -1.665 1.00 0.00 C ATOM 1696 CG GLN A 107 -57.107 -3.868 -1.946 1.00 0.00 C ATOM 1697 CD GLN A 107 -57.428 -3.202 -3.285 1.00 0.00 C ATOM 1698 OE1 GLN A 107 -58.196 -3.726 -4.068 1.00 0.00 O ATOM 1699 NE2 GLN A 107 -56.871 -2.060 -3.584 1.00 0.00 N ATOM 0 H GLN A 107 -56.421 -6.867 -1.393 1.00 0.00 H new ATOM 0 HA GLN A 107 -57.676 -4.885 0.436 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -58.128 -5.699 -2.471 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -59.137 -4.538 -1.631 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -57.121 -3.127 -1.146 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -56.103 -4.292 -1.970 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -56.226 -1.620 -2.928 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -57.080 -1.608 -4.474 1.00 0.00 H new ATOM 1708 N GLN A 108 -59.046 -7.708 -0.599 1.00 0.00 N ATOM 1709 CA GLN A 108 -60.137 -8.668 -0.274 1.00 0.00 C ATOM 1710 C GLN A 108 -60.211 -8.859 1.242 1.00 0.00 C ATOM 1711 O GLN A 108 -61.230 -9.242 1.780 1.00 0.00 O ATOM 1712 CB GLN A 108 -59.850 -10.013 -0.945 1.00 0.00 C ATOM 1713 CG GLN A 108 -59.839 -9.834 -2.465 1.00 0.00 C ATOM 1714 CD GLN A 108 -61.214 -9.354 -2.933 1.00 0.00 C ATOM 1715 OE1 GLN A 108 -62.224 -9.928 -2.578 1.00 0.00 O ATOM 1716 NE2 GLN A 108 -61.297 -8.317 -3.721 1.00 0.00 N ATOM 0 H GLN A 108 -58.413 -8.005 -1.342 1.00 0.00 H new ATOM 0 HA GLN A 108 -61.087 -8.277 -0.638 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -58.890 -10.402 -0.607 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -60.608 -10.743 -0.660 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -59.074 -9.113 -2.751 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -59.586 -10.776 -2.951 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -60.450 -7.834 -4.020 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -62.209 -7.989 -4.038 1.00 0.00 H new ATOM 1725 N CYS A 109 -59.137 -8.594 1.935 1.00 0.00 N ATOM 1726 CA CYS A 109 -59.145 -8.760 3.415 1.00 0.00 C ATOM 1727 C CYS A 109 -59.202 -7.386 4.084 1.00 0.00 C ATOM 1728 O CYS A 109 -59.680 -7.244 5.193 1.00 0.00 O ATOM 1729 CB CYS A 109 -57.871 -9.486 3.852 1.00 0.00 C ATOM 1730 SG CYS A 109 -57.989 -11.235 3.403 1.00 0.00 S ATOM 0 H CYS A 109 -58.255 -8.270 1.539 1.00 0.00 H new ATOM 0 HA CYS A 109 -60.017 -9.343 3.710 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -57.001 -9.035 3.375 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -57.733 -9.384 4.928 1.00 0.00 H new ATOM 1735 N ASN A 110 -58.718 -6.371 3.422 1.00 0.00 N ATOM 1736 CA ASN A 110 -58.745 -5.007 4.023 1.00 0.00 C ATOM 1737 C ASN A 110 -57.645 -4.897 5.081 1.00 0.00 C ATOM 1738 O ASN A 110 -57.845 -4.343 6.144 1.00 0.00 O ATOM 1739 CB ASN A 110 -60.108 -4.764 4.676 1.00 0.00 C ATOM 1740 CG ASN A 110 -60.385 -3.260 4.732 1.00 0.00 C ATOM 1741 OD1 ASN A 110 -59.556 -2.463 4.341 1.00 0.00 O ATOM 1742 ND2 ASN A 110 -61.525 -2.837 5.206 1.00 0.00 N ATOM 0 H ASN A 110 -58.305 -6.427 2.491 1.00 0.00 H new ATOM 0 HA ASN A 110 -58.578 -4.262 3.245 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -60.890 -5.268 4.108 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -60.122 -5.185 5.681 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -61.720 -1.837 5.248 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -62.221 -3.507 5.534 1.00 0.00 H new