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 -117:sc= -3.32! (180deg=-0.164) USER MOD Set 1.2: A 85 GLN : amide:sc= -3.51! C(o=-28!,f=-37!) USER MOD Set 1.3: A 94 MET CE :methyl -171:sc= -21.7! (180deg=-20.6!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 24 ASN : amide:sc= -0.0427 X(o=-0.043,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc=-0.00662 K(o=-0.0066,f=-2!) USER MOD Single : A 31 HIS : no HD1:sc= -1.37 X(o=-1.4,f=-1) USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 37 MET CE :methyl -139:sc= -0.0032 (180deg=-0.0467) USER MOD Single : A 56 GLN : amide:sc= -0.0462 K(o=-0.046,f=-2!) USER MOD Single : A 57 GLN : amide:sc= -8.12! C(o=-8.1!,f=-17!) USER MOD Single : A 58 GLN : amide:sc= -0.0104 K(o=-0.01,f=-1.6!) USER MOD Single : A 65 ASN : amide:sc= -1.94 K(o=-1.9,f=-7.1!) USER MOD Single : A 70 THR OG1 : rot -28:sc= 0.0914 USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 74 MET CE :methyl -139:sc= -6.24! (180deg=-6.95!) USER MOD Single : A 75 CYS SG : rot 180:sc= 0.13 USER MOD Single : A 79 GLN : amide:sc= -1.24 K(o=-1.2,f=-5.5!) USER MOD Single : A 80 GLN : amide:sc= -0.544 X(o=-0.54,f=-0.62) USER MOD Single : A 82 MET CE :methyl -114:sc= -0.244 (180deg=-2.56!) USER MOD Single : A 84 ASN : amide:sc= -1.82 K(o=-1.8,f=-6.3!) USER MOD Single : A 86 CYS SG : rot 64:sc= -0.692! USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 93 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 97 GLN : amide:sc= -0.0352 K(o=-0.035,f=-1.6!) USER MOD Single : A 99 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0128) USER MOD Single : A 103 MET CE :methyl -151:sc= -0.232 (180deg=-1.32!) USER MOD Single : A 104 SER OG : rot -83:sc= 1.06 USER MOD Single : A 107 GLN : amide:sc=-0.00165 K(o=-0.0017,f=-1.4!) USER MOD Single : A 108 GLN : amide:sc= -3.46! C(o=-3.5!,f=-3.7!) USER MOD Single : A 110 ASN : amide:sc= -0.882 K(o=-0.88,f=-0.25) USER MOD ----------------------------------------------------------------- ATOM 217 N SER A 15 -41.416 -13.810 17.330 1.00 0.00 N ATOM 218 CA SER A 15 -41.108 -12.969 16.140 1.00 0.00 C ATOM 219 C SER A 15 -42.289 -13.005 15.168 1.00 0.00 C ATOM 220 O SER A 15 -42.716 -14.056 14.732 1.00 0.00 O ATOM 221 CB SER A 15 -39.859 -13.512 15.442 1.00 0.00 C ATOM 222 OG SER A 15 -39.515 -12.661 14.360 1.00 0.00 O ATOM 0 HA SER A 15 -40.931 -11.942 16.459 1.00 0.00 H new ATOM 0 HB2 SER A 15 -39.031 -13.572 16.149 1.00 0.00 H new ATOM 0 HB3 SER A 15 -40.043 -14.523 15.079 1.00 0.00 H new ATOM 0 HG SER A 15 -38.714 -13.007 13.913 1.00 0.00 H new ATOM 228 N CYS A 16 -42.822 -11.864 14.824 1.00 0.00 N ATOM 229 CA CYS A 16 -43.975 -11.834 13.881 1.00 0.00 C ATOM 230 C CYS A 16 -43.601 -12.573 12.595 1.00 0.00 C ATOM 231 O CYS A 16 -44.406 -13.273 12.014 1.00 0.00 O ATOM 232 CB CYS A 16 -44.324 -10.382 13.550 1.00 0.00 C ATOM 233 SG CYS A 16 -45.705 -10.346 12.379 1.00 0.00 S ATOM 0 H CYS A 16 -42.508 -10.952 15.155 1.00 0.00 H new ATOM 0 HA CYS A 16 -44.835 -12.319 14.343 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -44.590 -9.844 14.460 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -43.458 -9.877 13.123 1.00 0.00 H new ATOM 238 N GLU A 17 -42.385 -12.423 12.145 1.00 0.00 N ATOM 239 CA GLU A 17 -41.963 -13.117 10.897 1.00 0.00 C ATOM 240 C GLU A 17 -42.398 -14.583 10.957 1.00 0.00 C ATOM 241 O GLU A 17 -42.689 -15.196 9.950 1.00 0.00 O ATOM 242 CB GLU A 17 -40.442 -13.041 10.760 1.00 0.00 C ATOM 243 CG GLU A 17 -40.022 -11.582 10.570 1.00 0.00 C ATOM 244 CD GLU A 17 -38.509 -11.509 10.349 1.00 0.00 C ATOM 245 OE1 GLU A 17 -37.871 -12.547 10.414 1.00 0.00 O ATOM 246 OE2 GLU A 17 -38.016 -10.417 10.119 1.00 0.00 O ATOM 0 H GLU A 17 -41.667 -11.850 12.588 1.00 0.00 H new ATOM 0 HA GLU A 17 -42.429 -12.635 10.038 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -39.965 -13.456 11.648 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -40.112 -13.640 9.911 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -40.546 -11.150 9.717 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -40.301 -10.996 11.446 1.00 0.00 H new ATOM 253 N ARG A 18 -42.448 -15.149 12.131 1.00 0.00 N ATOM 254 CA ARG A 18 -42.867 -16.574 12.252 1.00 0.00 C ATOM 255 C ARG A 18 -44.270 -16.742 11.667 1.00 0.00 C ATOM 256 O ARG A 18 -44.665 -17.823 11.281 1.00 0.00 O ATOM 257 CB ARG A 18 -42.874 -16.981 13.728 1.00 0.00 C ATOM 258 CG ARG A 18 -41.442 -16.973 14.268 1.00 0.00 C ATOM 259 CD ARG A 18 -41.434 -17.514 15.699 1.00 0.00 C ATOM 260 NE ARG A 18 -40.085 -17.311 16.301 1.00 0.00 N ATOM 261 CZ ARG A 18 -39.786 -17.872 17.440 1.00 0.00 C ATOM 262 NH1 ARG A 18 -38.794 -18.716 17.512 1.00 0.00 N ATOM 263 NH2 ARG A 18 -40.481 -17.590 18.509 1.00 0.00 N ATOM 0 H ARG A 18 -42.217 -14.687 13.011 1.00 0.00 H new ATOM 0 HA ARG A 18 -42.168 -17.207 11.706 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -43.494 -16.293 14.303 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -43.310 -17.973 13.840 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -40.799 -17.583 13.633 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -41.040 -15.960 14.248 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -42.190 -17.004 16.296 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -41.688 -18.574 15.700 1.00 0.00 H new ATOM 0 HE ARG A 18 -39.395 -16.733 15.821 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -38.251 -18.938 16.677 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -38.561 -19.154 18.403 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -41.258 -16.931 18.453 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -40.247 -18.029 19.400 1.00 0.00 H new ATOM 277 N GLN A 19 -45.023 -15.679 11.591 1.00 0.00 N ATOM 278 CA GLN A 19 -46.395 -15.781 11.022 1.00 0.00 C ATOM 279 C GLN A 19 -46.294 -15.920 9.503 1.00 0.00 C ATOM 280 O GLN A 19 -47.120 -16.545 8.869 1.00 0.00 O ATOM 281 CB GLN A 19 -47.191 -14.522 11.372 1.00 0.00 C ATOM 282 CG GLN A 19 -47.467 -14.496 12.877 1.00 0.00 C ATOM 283 CD GLN A 19 -48.292 -13.255 13.223 1.00 0.00 C ATOM 284 OE1 GLN A 19 -48.441 -12.364 12.410 1.00 0.00 O ATOM 285 NE2 GLN A 19 -48.839 -13.159 14.404 1.00 0.00 N ATOM 0 H GLN A 19 -44.747 -14.746 11.898 1.00 0.00 H new ATOM 0 HA GLN A 19 -46.903 -16.651 11.438 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -46.633 -13.633 11.078 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -48.130 -14.507 10.819 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -48.003 -15.397 13.175 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -46.528 -14.487 13.430 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -48.714 -13.907 15.086 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -49.392 -12.336 14.645 1.00 0.00 H new ATOM 294 N VAL A 20 -45.281 -15.343 8.918 1.00 0.00 N ATOM 295 CA VAL A 20 -45.117 -15.443 7.442 1.00 0.00 C ATOM 296 C VAL A 20 -45.004 -16.916 7.046 1.00 0.00 C ATOM 297 O VAL A 20 -45.593 -17.356 6.080 1.00 0.00 O ATOM 298 CB VAL A 20 -43.847 -14.701 7.019 1.00 0.00 C ATOM 299 CG1 VAL A 20 -43.587 -14.942 5.531 1.00 0.00 C ATOM 300 CG2 VAL A 20 -44.024 -13.203 7.271 1.00 0.00 C ATOM 0 H VAL A 20 -44.559 -14.806 9.399 1.00 0.00 H new ATOM 0 HA VAL A 20 -45.979 -14.996 6.946 1.00 0.00 H new ATOM 0 HB VAL A 20 -43.001 -15.069 7.599 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -42.683 -14.414 5.229 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -43.460 -16.010 5.352 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -44.433 -14.575 4.950 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -43.120 -12.674 6.970 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -44.870 -12.834 6.691 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -44.208 -13.032 8.332 1.00 0.00 H new ATOM 310 N ASP A 21 -44.253 -17.683 7.788 1.00 0.00 N ATOM 311 CA ASP A 21 -44.107 -19.128 7.453 1.00 0.00 C ATOM 312 C ASP A 21 -45.491 -19.728 7.200 1.00 0.00 C ATOM 313 O ASP A 21 -45.634 -20.720 6.514 1.00 0.00 O ATOM 314 CB ASP A 21 -43.439 -19.859 8.619 1.00 0.00 C ATOM 315 CG ASP A 21 -41.940 -19.553 8.620 1.00 0.00 C ATOM 316 OD1 ASP A 21 -41.492 -18.881 7.706 1.00 0.00 O ATOM 317 OD2 ASP A 21 -41.266 -19.998 9.535 1.00 0.00 O ATOM 0 H ASP A 21 -43.735 -17.372 8.610 1.00 0.00 H new ATOM 0 HA ASP A 21 -43.492 -19.236 6.560 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -43.886 -19.546 9.563 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -43.602 -20.933 8.530 1.00 0.00 H new ATOM 322 N ARG A 22 -46.514 -19.133 7.752 1.00 0.00 N ATOM 323 CA ARG A 22 -47.890 -19.666 7.547 1.00 0.00 C ATOM 324 C ARG A 22 -48.496 -19.045 6.286 1.00 0.00 C ATOM 325 O ARG A 22 -49.474 -19.530 5.753 1.00 0.00 O ATOM 326 CB ARG A 22 -48.757 -19.310 8.757 1.00 0.00 C ATOM 327 CG ARG A 22 -48.320 -20.144 9.963 1.00 0.00 C ATOM 328 CD ARG A 22 -49.234 -19.836 11.151 1.00 0.00 C ATOM 329 NE ARG A 22 -48.529 -20.172 12.420 1.00 0.00 N ATOM 330 CZ ARG A 22 -49.103 -19.933 13.568 1.00 0.00 C ATOM 331 NH1 ARG A 22 -48.777 -18.871 14.253 1.00 0.00 N ATOM 332 NH2 ARG A 22 -50.003 -20.757 14.032 1.00 0.00 N ATOM 0 H ARG A 22 -46.455 -18.299 8.337 1.00 0.00 H new ATOM 0 HA ARG A 22 -47.848 -20.749 7.434 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -48.665 -18.248 8.984 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -49.807 -19.498 8.533 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -48.365 -21.206 9.721 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -47.284 -19.919 10.219 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -49.513 -18.782 11.145 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -50.157 -20.410 11.072 1.00 0.00 H new ATOM 0 HE ARG A 22 -47.598 -20.589 12.392 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -48.073 -18.227 13.892 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -49.226 -18.685 15.150 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -50.258 -21.588 13.498 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -50.451 -20.570 14.929 1.00 0.00 H new ATOM 346 N VAL A 23 -47.924 -17.975 5.806 1.00 0.00 N ATOM 347 CA VAL A 23 -48.471 -17.323 4.583 1.00 0.00 C ATOM 348 C VAL A 23 -48.353 -18.279 3.394 1.00 0.00 C ATOM 349 O VAL A 23 -48.982 -18.093 2.372 1.00 0.00 O ATOM 350 CB VAL A 23 -47.681 -16.046 4.286 1.00 0.00 C ATOM 351 CG1 VAL A 23 -48.031 -15.546 2.883 1.00 0.00 C ATOM 352 CG2 VAL A 23 -48.042 -14.973 5.315 1.00 0.00 C ATOM 0 H VAL A 23 -47.102 -17.524 6.208 1.00 0.00 H new ATOM 0 HA VAL A 23 -49.519 -17.074 4.747 1.00 0.00 H new ATOM 0 HB VAL A 23 -46.613 -16.257 4.341 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -47.469 -14.637 2.670 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -47.775 -16.311 2.150 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -49.099 -15.334 2.828 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -47.480 -14.063 5.104 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -49.110 -14.761 5.260 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -47.794 -15.329 6.315 1.00 0.00 H new ATOM 362 N ASN A 24 -47.553 -19.302 3.518 1.00 0.00 N ATOM 363 CA ASN A 24 -47.400 -20.265 2.392 1.00 0.00 C ATOM 364 C ASN A 24 -48.778 -20.603 1.821 1.00 0.00 C ATOM 365 O ASN A 24 -49.690 -20.953 2.544 1.00 0.00 O ATOM 366 CB ASN A 24 -46.731 -21.543 2.902 1.00 0.00 C ATOM 367 CG ASN A 24 -46.164 -22.329 1.718 1.00 0.00 C ATOM 368 OD1 ASN A 24 -46.611 -23.421 1.429 1.00 0.00 O ATOM 369 ND2 ASN A 24 -45.192 -21.815 1.015 1.00 0.00 N ATOM 0 H ASN A 24 -47.000 -19.512 4.349 1.00 0.00 H new ATOM 0 HA ASN A 24 -46.783 -19.819 1.612 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -45.934 -21.294 3.602 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -47.453 -22.153 3.445 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -44.808 -22.330 0.223 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -44.817 -20.898 1.258 1.00 0.00 H new ATOM 376 N LEU A 25 -48.939 -20.504 0.529 1.00 0.00 N ATOM 377 CA LEU A 25 -50.259 -20.822 -0.081 1.00 0.00 C ATOM 378 C LEU A 25 -50.101 -20.977 -1.596 1.00 0.00 C ATOM 379 O LEU A 25 -50.118 -20.014 -2.341 1.00 0.00 O ATOM 380 CB LEU A 25 -51.249 -19.697 0.221 1.00 0.00 C ATOM 381 CG LEU A 25 -52.174 -20.129 1.362 1.00 0.00 C ATOM 382 CD1 LEU A 25 -51.816 -19.352 2.632 1.00 0.00 C ATOM 383 CD2 LEU A 25 -53.626 -19.840 0.980 1.00 0.00 C ATOM 0 H LEU A 25 -48.214 -20.217 -0.128 1.00 0.00 H new ATOM 0 HA LEU A 25 -50.635 -21.755 0.339 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -50.712 -18.789 0.497 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -51.834 -19.464 -0.668 1.00 0.00 H new ATOM 0 HG LEU A 25 -52.052 -21.197 1.543 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -52.474 -19.659 3.444 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -50.781 -19.559 2.906 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -51.937 -18.284 2.451 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -54.284 -20.148 1.793 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -53.749 -18.772 0.798 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -53.882 -20.394 0.077 1.00 0.00 H new ATOM 395 N LYS A 26 -49.945 -22.190 -2.052 1.00 0.00 N ATOM 396 CA LYS A 26 -49.783 -22.433 -3.512 1.00 0.00 C ATOM 397 C LYS A 26 -51.039 -21.990 -4.275 1.00 0.00 C ATOM 398 O LYS A 26 -50.944 -21.458 -5.364 1.00 0.00 O ATOM 399 CB LYS A 26 -49.544 -23.925 -3.752 1.00 0.00 C ATOM 400 CG LYS A 26 -48.085 -24.149 -4.155 1.00 0.00 C ATOM 401 CD LYS A 26 -47.923 -25.557 -4.732 1.00 0.00 C ATOM 402 CE LYS A 26 -47.582 -26.534 -3.605 1.00 0.00 C ATOM 403 NZ LYS A 26 -48.111 -27.886 -3.942 1.00 0.00 N ATOM 0 H LYS A 26 -49.923 -23.028 -1.471 1.00 0.00 H new ATOM 0 HA LYS A 26 -48.932 -21.855 -3.873 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -49.774 -24.491 -2.849 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -50.209 -24.289 -4.535 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -47.783 -23.406 -4.893 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -47.434 -24.022 -3.290 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -48.842 -25.866 -5.230 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -47.135 -25.565 -5.485 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -46.502 -26.579 -3.463 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -48.013 -26.187 -2.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -47.879 -28.550 -3.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -49.143 -27.836 -4.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -47.680 -28.216 -4.829 1.00 0.00 H new ATOM 417 N PRO A 27 -52.240 -22.216 -3.708 1.00 0.00 N ATOM 418 CA PRO A 27 -53.500 -21.837 -4.365 1.00 0.00 C ATOM 419 C PRO A 27 -53.643 -20.318 -4.505 1.00 0.00 C ATOM 420 O PRO A 27 -54.208 -19.829 -5.463 1.00 0.00 O ATOM 421 CB PRO A 27 -54.575 -22.395 -3.430 1.00 0.00 C ATOM 422 CG PRO A 27 -53.904 -22.484 -2.104 1.00 0.00 C ATOM 423 CD PRO A 27 -52.476 -22.847 -2.394 1.00 0.00 C ATOM 0 HA PRO A 27 -53.564 -22.225 -5.382 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -55.446 -21.741 -3.391 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -54.924 -23.372 -3.765 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -53.966 -21.536 -1.570 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -54.379 -23.237 -1.475 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -51.798 -22.462 -1.632 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -52.333 -23.927 -2.432 1.00 0.00 H new ATOM 431 N CYS A 28 -53.133 -19.566 -3.569 1.00 0.00 N ATOM 432 CA CYS A 28 -53.241 -18.083 -3.672 1.00 0.00 C ATOM 433 C CYS A 28 -52.317 -17.597 -4.789 1.00 0.00 C ATOM 434 O CYS A 28 -52.750 -16.987 -5.749 1.00 0.00 O ATOM 435 CB CYS A 28 -52.826 -17.443 -2.347 1.00 0.00 C ATOM 436 SG CYS A 28 -54.182 -16.423 -1.720 1.00 0.00 S ATOM 0 H CYS A 28 -52.648 -19.912 -2.741 1.00 0.00 H new ATOM 0 HA CYS A 28 -54.270 -17.802 -3.895 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -52.572 -18.216 -1.621 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -51.934 -16.833 -2.489 1.00 0.00 H new ATOM 441 N GLU A 29 -51.047 -17.876 -4.680 1.00 0.00 N ATOM 442 CA GLU A 29 -50.105 -17.443 -5.744 1.00 0.00 C ATOM 443 C GLU A 29 -50.667 -17.881 -7.094 1.00 0.00 C ATOM 444 O GLU A 29 -50.540 -17.194 -8.087 1.00 0.00 O ATOM 445 CB GLU A 29 -48.738 -18.095 -5.518 1.00 0.00 C ATOM 446 CG GLU A 29 -47.701 -17.435 -6.428 1.00 0.00 C ATOM 447 CD GLU A 29 -46.374 -18.189 -6.320 1.00 0.00 C ATOM 448 OE1 GLU A 29 -46.329 -19.332 -6.747 1.00 0.00 O ATOM 449 OE2 GLU A 29 -45.427 -17.614 -5.811 1.00 0.00 O ATOM 0 H GLU A 29 -50.624 -18.383 -3.902 1.00 0.00 H new ATOM 0 HA GLU A 29 -49.987 -16.360 -5.722 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -48.441 -17.990 -4.474 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -48.794 -19.163 -5.727 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -48.051 -17.440 -7.460 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -47.563 -16.392 -6.143 1.00 0.00 H new ATOM 456 N GLN A 30 -51.297 -19.024 -7.134 1.00 0.00 N ATOM 457 CA GLN A 30 -51.879 -19.510 -8.413 1.00 0.00 C ATOM 458 C GLN A 30 -53.116 -18.677 -8.754 1.00 0.00 C ATOM 459 O GLN A 30 -53.542 -18.622 -9.891 1.00 0.00 O ATOM 460 CB GLN A 30 -52.276 -20.980 -8.266 1.00 0.00 C ATOM 461 CG GLN A 30 -51.019 -21.852 -8.281 1.00 0.00 C ATOM 462 CD GLN A 30 -51.380 -23.274 -7.848 1.00 0.00 C ATOM 463 OE1 GLN A 30 -52.495 -23.534 -7.442 1.00 0.00 O ATOM 464 NE2 GLN A 30 -50.477 -24.213 -7.921 1.00 0.00 N ATOM 0 H GLN A 30 -51.433 -19.641 -6.334 1.00 0.00 H new ATOM 0 HA GLN A 30 -51.143 -19.413 -9.211 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -52.823 -21.129 -7.335 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -52.943 -21.271 -9.078 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -50.584 -21.864 -9.280 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -50.267 -21.436 -7.611 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -49.541 -23.995 -8.262 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -50.707 -25.165 -7.637 1.00 0.00 H new ATOM 473 N HIS A 31 -53.693 -18.020 -7.783 1.00 0.00 N ATOM 474 CA HIS A 31 -54.891 -17.187 -8.064 1.00 0.00 C ATOM 475 C HIS A 31 -54.432 -15.933 -8.796 1.00 0.00 C ATOM 476 O HIS A 31 -55.150 -15.360 -9.591 1.00 0.00 O ATOM 477 CB HIS A 31 -55.569 -16.806 -6.742 1.00 0.00 C ATOM 478 CG HIS A 31 -56.293 -15.495 -6.894 1.00 0.00 C ATOM 479 ND1 HIS A 31 -57.518 -15.396 -7.537 1.00 0.00 N ATOM 480 CD2 HIS A 31 -55.977 -14.220 -6.492 1.00 0.00 C ATOM 481 CE1 HIS A 31 -57.891 -14.103 -7.501 1.00 0.00 C ATOM 482 NE2 HIS A 31 -56.988 -13.343 -6.876 1.00 0.00 N ATOM 0 H HIS A 31 -53.385 -18.026 -6.811 1.00 0.00 H new ATOM 0 HA HIS A 31 -55.606 -17.736 -8.677 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -56.270 -17.586 -6.445 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -54.824 -16.730 -5.950 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -55.080 -13.940 -5.959 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -58.809 -13.726 -7.926 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -57.030 -12.337 -6.715 1.00 0.00 H new ATOM 490 N ILE A 32 -53.226 -15.513 -8.538 1.00 0.00 N ATOM 491 CA ILE A 32 -52.702 -14.301 -9.225 1.00 0.00 C ATOM 492 C ILE A 32 -51.967 -14.721 -10.498 1.00 0.00 C ATOM 493 O ILE A 32 -52.136 -14.130 -11.545 1.00 0.00 O ATOM 494 CB ILE A 32 -51.741 -13.533 -8.308 1.00 0.00 C ATOM 495 CG1 ILE A 32 -51.406 -14.366 -7.067 1.00 0.00 C ATOM 496 CG2 ILE A 32 -52.408 -12.230 -7.876 1.00 0.00 C ATOM 497 CD1 ILE A 32 -52.563 -14.284 -6.068 1.00 0.00 C ATOM 0 H ILE A 32 -52.582 -15.955 -7.883 1.00 0.00 H new ATOM 0 HA ILE A 32 -53.539 -13.649 -9.476 1.00 0.00 H new ATOM 0 HB ILE A 32 -50.818 -13.325 -8.849 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -51.229 -15.404 -7.350 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -50.488 -14.000 -6.607 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -51.734 -11.675 -7.223 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -52.637 -11.629 -8.756 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -53.330 -12.454 -7.339 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -52.324 -14.877 -5.185 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -52.719 -13.245 -5.776 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -53.471 -14.671 -6.530 1.00 0.00 H new ATOM 509 N MET A 33 -51.157 -15.741 -10.420 1.00 0.00 N ATOM 510 CA MET A 33 -50.419 -16.196 -11.631 1.00 0.00 C ATOM 511 C MET A 33 -51.424 -16.618 -12.706 1.00 0.00 C ATOM 512 O MET A 33 -51.313 -16.241 -13.856 1.00 0.00 O ATOM 513 CB MET A 33 -49.529 -17.386 -11.270 1.00 0.00 C ATOM 514 CG MET A 33 -48.477 -16.946 -10.250 1.00 0.00 C ATOM 515 SD MET A 33 -47.536 -15.552 -10.916 1.00 0.00 S ATOM 516 CE MET A 33 -46.283 -16.522 -11.790 1.00 0.00 C ATOM 0 H MET A 33 -50.975 -16.278 -9.572 1.00 0.00 H new ATOM 0 HA MET A 33 -49.799 -15.382 -12.008 1.00 0.00 H new ATOM 0 HB2 MET A 33 -50.134 -18.194 -10.859 1.00 0.00 H new ATOM 0 HB3 MET A 33 -49.043 -17.775 -12.165 1.00 0.00 H new ATOM 0 HG2 MET A 33 -48.959 -16.660 -9.315 1.00 0.00 H new ATOM 0 HG3 MET A 33 -47.807 -17.775 -10.022 1.00 0.00 H new ATOM 0 HE1 MET A 33 -45.302 -16.320 -11.361 1.00 0.00 H new ATOM 0 HE2 MET A 33 -46.511 -17.583 -11.692 1.00 0.00 H new ATOM 0 HE3 MET A 33 -46.281 -16.248 -12.845 1.00 0.00 H new ATOM 526 N GLN A 34 -52.402 -17.400 -12.339 1.00 0.00 N ATOM 527 CA GLN A 34 -53.413 -17.850 -13.336 1.00 0.00 C ATOM 528 C GLN A 34 -54.234 -16.651 -13.816 1.00 0.00 C ATOM 529 O GLN A 34 -54.469 -16.482 -14.997 1.00 0.00 O ATOM 530 CB GLN A 34 -54.344 -18.877 -12.688 1.00 0.00 C ATOM 531 CG GLN A 34 -55.444 -19.267 -13.676 1.00 0.00 C ATOM 532 CD GLN A 34 -56.453 -20.183 -12.982 1.00 0.00 C ATOM 533 OE1 GLN A 34 -56.291 -20.519 -11.825 1.00 0.00 O ATOM 534 NE2 GLN A 34 -57.495 -20.605 -13.643 1.00 0.00 N ATOM 0 H GLN A 34 -52.544 -17.747 -11.390 1.00 0.00 H new ATOM 0 HA GLN A 34 -52.904 -18.303 -14.187 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -53.778 -19.760 -12.391 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -54.785 -18.462 -11.782 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -55.945 -18.374 -14.050 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -55.010 -19.774 -14.538 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -57.631 -20.323 -14.614 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -58.173 -21.217 -13.189 1.00 0.00 H new ATOM 543 N ARG A 35 -54.674 -15.817 -12.914 1.00 0.00 N ATOM 544 CA ARG A 35 -55.482 -14.635 -13.325 1.00 0.00 C ATOM 545 C ARG A 35 -54.646 -13.734 -14.236 1.00 0.00 C ATOM 546 O ARG A 35 -54.967 -13.531 -15.390 1.00 0.00 O ATOM 547 CB ARG A 35 -55.904 -13.848 -12.082 1.00 0.00 C ATOM 548 CG ARG A 35 -56.960 -14.641 -11.311 1.00 0.00 C ATOM 549 CD ARG A 35 -58.250 -14.706 -12.130 1.00 0.00 C ATOM 550 NE ARG A 35 -59.297 -15.427 -11.354 1.00 0.00 N ATOM 551 CZ ARG A 35 -59.160 -16.700 -11.102 1.00 0.00 C ATOM 552 NH1 ARG A 35 -59.912 -17.571 -11.718 1.00 0.00 N ATOM 553 NH2 ARG A 35 -58.273 -17.101 -10.234 1.00 0.00 N ATOM 0 H ARG A 35 -54.509 -15.903 -11.911 1.00 0.00 H new ATOM 0 HA ARG A 35 -56.368 -14.973 -13.862 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -55.039 -13.660 -11.446 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -56.303 -12.876 -12.372 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -56.596 -15.648 -11.106 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -57.152 -14.169 -10.347 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -58.591 -13.699 -12.372 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -58.067 -15.216 -13.076 1.00 0.00 H new ATOM 0 HE ARG A 35 -60.120 -14.926 -11.020 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -60.606 -17.256 -12.396 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -59.805 -18.566 -11.522 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -57.687 -16.420 -9.752 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -58.166 -18.096 -10.037 1.00 0.00 H new ATOM 567 N ILE A 36 -53.576 -13.190 -13.726 1.00 0.00 N ATOM 568 CA ILE A 36 -52.720 -12.299 -14.558 1.00 0.00 C ATOM 569 C ILE A 36 -52.302 -13.033 -15.834 1.00 0.00 C ATOM 570 O ILE A 36 -52.019 -12.423 -16.846 1.00 0.00 O ATOM 571 CB ILE A 36 -51.472 -11.910 -13.763 1.00 0.00 C ATOM 572 CG1 ILE A 36 -50.594 -13.148 -13.557 1.00 0.00 C ATOM 573 CG2 ILE A 36 -51.895 -11.340 -12.406 1.00 0.00 C ATOM 574 CD1 ILE A 36 -49.683 -12.943 -12.344 1.00 0.00 C ATOM 0 H ILE A 36 -53.257 -13.325 -12.767 1.00 0.00 H new ATOM 0 HA ILE A 36 -53.280 -11.402 -14.824 1.00 0.00 H new ATOM 0 HB ILE A 36 -50.906 -11.156 -14.310 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -51.220 -14.028 -13.408 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -49.993 -13.331 -14.448 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -51.009 -11.061 -11.836 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -52.519 -10.460 -12.560 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -52.459 -12.093 -11.855 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -49.061 -13.827 -12.203 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -49.046 -12.074 -12.510 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -50.292 -12.782 -11.455 1.00 0.00 H new ATOM 586 N MET A 37 -52.261 -14.336 -15.797 1.00 0.00 N ATOM 587 CA MET A 37 -51.860 -15.103 -17.010 1.00 0.00 C ATOM 588 C MET A 37 -53.112 -15.543 -17.771 1.00 0.00 C ATOM 589 O MET A 37 -53.059 -16.398 -18.632 1.00 0.00 O ATOM 590 CB MET A 37 -51.058 -16.338 -16.592 1.00 0.00 C ATOM 591 CG MET A 37 -49.706 -15.901 -16.027 1.00 0.00 C ATOM 592 SD MET A 37 -48.695 -17.363 -15.683 1.00 0.00 S ATOM 593 CE MET A 37 -48.036 -17.582 -17.353 1.00 0.00 C ATOM 0 H MET A 37 -52.488 -14.903 -14.980 1.00 0.00 H new ATOM 0 HA MET A 37 -51.246 -14.472 -17.652 1.00 0.00 H new ATOM 0 HB2 MET A 37 -51.610 -16.907 -15.844 1.00 0.00 H new ATOM 0 HB3 MET A 37 -50.911 -16.996 -17.448 1.00 0.00 H new ATOM 0 HG2 MET A 37 -49.195 -15.252 -16.738 1.00 0.00 H new ATOM 0 HG3 MET A 37 -49.851 -15.323 -15.114 1.00 0.00 H new ATOM 0 HE1 MET A 37 -48.025 -18.643 -17.604 1.00 0.00 H new ATOM 0 HE2 MET A 37 -48.664 -17.047 -18.065 1.00 0.00 H new ATOM 0 HE3 MET A 37 -47.021 -17.188 -17.398 1.00 0.00 H new ATOM 603 N GLY A 38 -54.240 -14.964 -17.461 1.00 0.00 N ATOM 604 CA GLY A 38 -55.495 -15.350 -18.166 1.00 0.00 C ATOM 605 C GLY A 38 -55.338 -15.091 -19.666 1.00 0.00 C ATOM 606 O GLY A 38 -55.947 -15.750 -20.486 1.00 0.00 O ATOM 0 H GLY A 38 -54.347 -14.240 -16.750 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -55.715 -16.403 -17.989 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -56.336 -14.778 -17.773 1.00 0.00 H new ATOM 865 N ASP A 55 -63.325 -20.518 -5.655 1.00 0.00 N ATOM 866 CA ASP A 55 -63.813 -20.255 -4.272 1.00 0.00 C ATOM 867 C ASP A 55 -62.737 -20.669 -3.266 1.00 0.00 C ATOM 868 O ASP A 55 -62.668 -20.152 -2.168 1.00 0.00 O ATOM 869 CB ASP A 55 -65.087 -21.063 -4.018 1.00 0.00 C ATOM 870 CG ASP A 55 -66.251 -20.437 -4.788 1.00 0.00 C ATOM 871 OD1 ASP A 55 -66.070 -19.354 -5.319 1.00 0.00 O ATOM 872 OD2 ASP A 55 -67.304 -21.052 -4.834 1.00 0.00 O ATOM 0 HA ASP A 55 -64.029 -19.193 -4.158 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -64.943 -22.097 -4.332 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -65.311 -21.082 -2.952 1.00 0.00 H new ATOM 877 N GLN A 56 -61.898 -21.599 -3.632 1.00 0.00 N ATOM 878 CA GLN A 56 -60.828 -22.048 -2.697 1.00 0.00 C ATOM 879 C GLN A 56 -59.903 -20.871 -2.378 1.00 0.00 C ATOM 880 O GLN A 56 -59.497 -20.678 -1.250 1.00 0.00 O ATOM 881 CB GLN A 56 -60.019 -23.169 -3.353 1.00 0.00 C ATOM 882 CG GLN A 56 -59.017 -23.734 -2.344 1.00 0.00 C ATOM 883 CD GLN A 56 -58.374 -24.998 -2.918 1.00 0.00 C ATOM 884 OE1 GLN A 56 -58.873 -25.568 -3.868 1.00 0.00 O ATOM 885 NE2 GLN A 56 -57.280 -25.462 -2.378 1.00 0.00 N ATOM 0 H GLN A 56 -61.907 -22.067 -4.538 1.00 0.00 H new ATOM 0 HA GLN A 56 -61.279 -22.415 -1.775 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -60.686 -23.958 -3.700 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -59.494 -22.788 -4.229 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -58.250 -22.992 -2.122 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -59.520 -23.963 -1.405 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -56.862 -24.983 -1.581 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -56.843 -26.304 -2.753 1.00 0.00 H new ATOM 894 N GLN A 57 -59.570 -20.083 -3.363 1.00 0.00 N ATOM 895 CA GLN A 57 -58.672 -18.920 -3.114 1.00 0.00 C ATOM 896 C GLN A 57 -59.253 -18.060 -1.991 1.00 0.00 C ATOM 897 O GLN A 57 -58.536 -17.552 -1.151 1.00 0.00 O ATOM 898 CB GLN A 57 -58.555 -18.086 -4.391 1.00 0.00 C ATOM 899 CG GLN A 57 -58.117 -18.983 -5.550 1.00 0.00 C ATOM 900 CD GLN A 57 -56.810 -19.687 -5.183 1.00 0.00 C ATOM 901 OE1 GLN A 57 -56.126 -19.283 -4.262 1.00 0.00 O ATOM 902 NE2 GLN A 57 -56.429 -20.730 -5.869 1.00 0.00 N ATOM 0 H GLN A 57 -59.880 -20.194 -4.328 1.00 0.00 H new ATOM 0 HA GLN A 57 -57.684 -19.277 -2.822 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -59.512 -17.618 -4.621 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -57.834 -17.282 -4.247 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -58.891 -19.719 -5.767 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -57.981 -18.388 -6.453 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -57.002 -21.069 -6.642 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -55.558 -21.206 -5.633 1.00 0.00 H new ATOM 911 N GLN A 58 -60.547 -17.892 -1.967 1.00 0.00 N ATOM 912 CA GLN A 58 -61.169 -17.065 -0.895 1.00 0.00 C ATOM 913 C GLN A 58 -60.679 -17.553 0.469 1.00 0.00 C ATOM 914 O GLN A 58 -60.718 -16.833 1.447 1.00 0.00 O ATOM 915 CB GLN A 58 -62.692 -17.198 -0.966 1.00 0.00 C ATOM 916 CG GLN A 58 -63.190 -16.667 -2.310 1.00 0.00 C ATOM 917 CD GLN A 58 -64.694 -16.918 -2.431 1.00 0.00 C ATOM 918 OE1 GLN A 58 -65.228 -17.805 -1.795 1.00 0.00 O ATOM 919 NE2 GLN A 58 -65.406 -16.168 -3.227 1.00 0.00 N ATOM 0 H GLN A 58 -61.199 -18.291 -2.642 1.00 0.00 H new ATOM 0 HA GLN A 58 -60.889 -16.020 -1.032 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -62.982 -18.242 -0.846 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -63.154 -16.643 -0.150 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -62.981 -15.600 -2.392 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -62.661 -17.159 -3.126 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -64.959 -15.423 -3.761 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -66.410 -16.327 -3.315 1.00 0.00 H new ATOM 928 N ARG A 59 -60.216 -18.771 0.542 1.00 0.00 N ATOM 929 CA ARG A 59 -59.724 -19.304 1.843 1.00 0.00 C ATOM 930 C ARG A 59 -58.581 -18.427 2.352 1.00 0.00 C ATOM 931 O ARG A 59 -58.478 -18.146 3.528 1.00 0.00 O ATOM 932 CB ARG A 59 -59.226 -20.738 1.655 1.00 0.00 C ATOM 933 CG ARG A 59 -60.419 -21.663 1.406 1.00 0.00 C ATOM 934 CD ARG A 59 -59.942 -23.116 1.378 1.00 0.00 C ATOM 935 NE ARG A 59 -61.028 -23.986 0.848 1.00 0.00 N ATOM 936 CZ ARG A 59 -61.096 -25.238 1.211 1.00 0.00 C ATOM 937 NH1 ARG A 59 -60.005 -25.897 1.489 1.00 0.00 N ATOM 938 NH2 ARG A 59 -62.256 -25.829 1.297 1.00 0.00 N ATOM 0 H ARG A 59 -60.157 -19.420 -0.243 1.00 0.00 H new ATOM 0 HA ARG A 59 -60.537 -19.298 2.569 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -58.533 -20.787 0.815 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -58.678 -21.063 2.540 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -61.166 -21.529 2.189 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -60.899 -21.409 0.461 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -59.053 -23.206 0.754 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -59.661 -23.437 2.381 1.00 0.00 H new ATOM 0 HE ARG A 59 -61.718 -23.604 0.202 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -59.099 -25.434 1.423 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -60.058 -26.875 1.773 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -63.109 -25.313 1.081 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -62.310 -26.807 1.581 1.00 0.00 H new ATOM 952 N CYS A 60 -57.723 -17.990 1.472 1.00 0.00 N ATOM 953 CA CYS A 60 -56.590 -17.125 1.907 1.00 0.00 C ATOM 954 C CYS A 60 -57.106 -16.092 2.906 1.00 0.00 C ATOM 955 O CYS A 60 -57.018 -16.270 4.105 1.00 0.00 O ATOM 956 CB CYS A 60 -56.001 -16.404 0.693 1.00 0.00 C ATOM 957 SG CYS A 60 -55.070 -17.579 -0.321 1.00 0.00 S ATOM 0 H CYS A 60 -57.757 -18.194 0.473 1.00 0.00 H new ATOM 0 HA CYS A 60 -55.819 -17.738 2.373 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -56.799 -15.952 0.104 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -55.349 -15.594 1.020 1.00 0.00 H new ATOM 962 N CYS A 61 -57.650 -15.014 2.418 1.00 0.00 N ATOM 963 CA CYS A 61 -58.182 -13.966 3.331 1.00 0.00 C ATOM 964 C CYS A 61 -58.943 -14.638 4.475 1.00 0.00 C ATOM 965 O CYS A 61 -58.834 -14.250 5.621 1.00 0.00 O ATOM 966 CB CYS A 61 -59.127 -13.046 2.558 1.00 0.00 C ATOM 967 SG CYS A 61 -59.356 -11.507 3.480 1.00 0.00 S ATOM 0 H CYS A 61 -57.750 -14.813 1.423 1.00 0.00 H new ATOM 0 HA CYS A 61 -57.358 -13.377 3.734 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -58.718 -12.833 1.570 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -60.088 -13.538 2.406 1.00 0.00 H new ATOM 972 N ASP A 62 -59.713 -15.643 4.168 1.00 0.00 N ATOM 973 CA ASP A 62 -60.484 -16.344 5.232 1.00 0.00 C ATOM 974 C ASP A 62 -59.525 -16.810 6.326 1.00 0.00 C ATOM 975 O ASP A 62 -59.843 -16.777 7.499 1.00 0.00 O ATOM 976 CB ASP A 62 -61.205 -17.553 4.632 1.00 0.00 C ATOM 977 CG ASP A 62 -62.216 -17.079 3.587 1.00 0.00 C ATOM 978 OD1 ASP A 62 -62.527 -15.900 3.586 1.00 0.00 O ATOM 979 OD2 ASP A 62 -62.662 -17.903 2.807 1.00 0.00 O ATOM 0 H ASP A 62 -59.842 -16.010 3.225 1.00 0.00 H new ATOM 0 HA ASP A 62 -61.220 -15.662 5.658 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -60.483 -18.230 4.174 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -61.713 -18.113 5.417 1.00 0.00 H new ATOM 984 N GLU A 63 -58.351 -17.236 5.955 1.00 0.00 N ATOM 985 CA GLU A 63 -57.372 -17.694 6.979 1.00 0.00 C ATOM 986 C GLU A 63 -56.889 -16.485 7.780 1.00 0.00 C ATOM 987 O GLU A 63 -56.919 -16.482 8.995 1.00 0.00 O ATOM 988 CB GLU A 63 -56.181 -18.362 6.288 1.00 0.00 C ATOM 989 CG GLU A 63 -56.609 -19.723 5.735 1.00 0.00 C ATOM 990 CD GLU A 63 -57.253 -20.549 6.852 1.00 0.00 C ATOM 991 OE1 GLU A 63 -56.963 -20.276 8.006 1.00 0.00 O ATOM 992 OE2 GLU A 63 -58.024 -21.439 6.535 1.00 0.00 O ATOM 0 H GLU A 63 -58.027 -17.287 4.989 1.00 0.00 H new ATOM 0 HA GLU A 63 -57.846 -18.413 7.647 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -55.814 -17.729 5.480 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -55.360 -18.486 6.994 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -57.314 -19.589 4.915 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -55.746 -20.251 5.330 1.00 0.00 H new ATOM 999 N LEU A 64 -56.453 -15.455 7.109 1.00 0.00 N ATOM 1000 CA LEU A 64 -55.977 -14.245 7.834 1.00 0.00 C ATOM 1001 C LEU A 64 -57.129 -13.665 8.655 1.00 0.00 C ATOM 1002 O LEU A 64 -56.932 -12.833 9.519 1.00 0.00 O ATOM 1003 CB LEU A 64 -55.492 -13.201 6.825 1.00 0.00 C ATOM 1004 CG LEU A 64 -54.490 -13.847 5.864 1.00 0.00 C ATOM 1005 CD1 LEU A 64 -53.980 -12.794 4.876 1.00 0.00 C ATOM 1006 CD2 LEU A 64 -53.312 -14.413 6.659 1.00 0.00 C ATOM 0 H LEU A 64 -56.406 -15.399 6.092 1.00 0.00 H new ATOM 0 HA LEU A 64 -55.155 -14.515 8.496 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -56.338 -12.797 6.268 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -55.025 -12.365 7.346 1.00 0.00 H new ATOM 0 HG LEU A 64 -54.979 -14.653 5.317 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -53.267 -13.253 4.191 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -54.819 -12.390 4.309 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -53.491 -11.988 5.423 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -52.599 -14.873 5.975 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -52.822 -13.608 7.207 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -53.674 -15.162 7.363 1.00 0.00 H new ATOM 1018 N ASN A 65 -58.333 -14.100 8.396 1.00 0.00 N ATOM 1019 CA ASN A 65 -59.495 -13.576 9.167 1.00 0.00 C ATOM 1020 C ASN A 65 -59.478 -14.176 10.573 1.00 0.00 C ATOM 1021 O ASN A 65 -59.955 -13.580 11.519 1.00 0.00 O ATOM 1022 CB ASN A 65 -60.795 -13.965 8.459 1.00 0.00 C ATOM 1023 CG ASN A 65 -61.025 -13.033 7.268 1.00 0.00 C ATOM 1024 OD1 ASN A 65 -61.278 -13.485 6.168 1.00 0.00 O ATOM 1025 ND2 ASN A 65 -60.947 -11.742 7.440 1.00 0.00 N ATOM 0 H ASN A 65 -58.561 -14.795 7.685 1.00 0.00 H new ATOM 0 HA ASN A 65 -59.432 -12.490 9.233 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -60.742 -15.000 8.120 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -61.633 -13.900 9.153 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -61.098 -11.112 6.652 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -60.735 -11.362 8.363 1.00 0.00 H new ATOM 1032 N GLU A 66 -58.930 -15.352 10.720 1.00 0.00 N ATOM 1033 CA GLU A 66 -58.882 -15.988 12.067 1.00 0.00 C ATOM 1034 C GLU A 66 -57.594 -15.569 12.780 1.00 0.00 C ATOM 1035 O GLU A 66 -57.585 -15.314 13.968 1.00 0.00 O ATOM 1036 CB GLU A 66 -58.908 -17.510 11.917 1.00 0.00 C ATOM 1037 CG GLU A 66 -58.879 -18.158 13.302 1.00 0.00 C ATOM 1038 CD GLU A 66 -58.736 -19.674 13.154 1.00 0.00 C ATOM 1039 OE1 GLU A 66 -58.651 -20.135 12.028 1.00 0.00 O ATOM 1040 OE2 GLU A 66 -58.713 -20.350 14.171 1.00 0.00 O ATOM 0 H GLU A 66 -58.514 -15.899 9.966 1.00 0.00 H new ATOM 0 HA GLU A 66 -59.745 -15.667 12.651 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -59.804 -17.818 11.378 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -58.052 -17.843 11.330 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -58.049 -17.759 13.884 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -59.793 -17.920 13.846 1.00 0.00 H new ATOM 1093 N THR A 70 -52.317 -11.265 12.736 1.00 0.00 N ATOM 1094 CA THR A 70 -51.597 -10.788 11.521 1.00 0.00 C ATOM 1095 C THR A 70 -51.516 -9.261 11.541 1.00 0.00 C ATOM 1096 O THR A 70 -52.403 -8.587 12.026 1.00 0.00 O ATOM 1097 CB THR A 70 -52.354 -11.242 10.269 1.00 0.00 C ATOM 1098 OG1 THR A 70 -53.666 -10.695 10.288 1.00 0.00 O ATOM 1099 CG2 THR A 70 -52.437 -12.769 10.246 1.00 0.00 C ATOM 0 HA THR A 70 -50.590 -11.204 11.509 1.00 0.00 H new ATOM 0 HB THR A 70 -51.827 -10.896 9.380 1.00 0.00 H new ATOM 0 HG1 THR A 70 -53.946 -10.548 11.216 1.00 0.00 H new ATOM 0 HG21 THR A 70 -52.976 -13.091 9.355 1.00 0.00 H new ATOM 0 HG22 THR A 70 -51.431 -13.188 10.233 1.00 0.00 H new ATOM 0 HG23 THR A 70 -52.964 -13.118 11.134 1.00 0.00 H new ATOM 1107 N GLN A 71 -50.456 -8.708 11.016 1.00 0.00 N ATOM 1108 CA GLN A 71 -50.317 -7.224 11.003 1.00 0.00 C ATOM 1109 C GLN A 71 -49.405 -6.812 9.843 1.00 0.00 C ATOM 1110 O GLN A 71 -49.455 -7.382 8.772 1.00 0.00 O ATOM 1111 CB GLN A 71 -49.712 -6.758 12.328 1.00 0.00 C ATOM 1112 CG GLN A 71 -50.591 -7.235 13.486 1.00 0.00 C ATOM 1113 CD GLN A 71 -50.003 -6.741 14.810 1.00 0.00 C ATOM 1114 OE1 GLN A 71 -48.810 -6.537 14.919 1.00 0.00 O ATOM 1115 NE2 GLN A 71 -50.795 -6.541 15.827 1.00 0.00 N ATOM 0 H GLN A 71 -49.680 -9.220 10.596 1.00 0.00 H new ATOM 0 HA GLN A 71 -51.297 -6.764 10.874 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -48.702 -7.153 12.438 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -49.633 -5.671 12.341 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -51.607 -6.859 13.364 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -50.652 -8.323 13.486 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -51.796 -6.712 15.735 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -50.413 -6.213 16.714 1.00 0.00 H new ATOM 1124 N GLY A 72 -48.571 -5.828 10.047 1.00 0.00 N ATOM 1125 CA GLY A 72 -47.661 -5.388 8.952 1.00 0.00 C ATOM 1126 C GLY A 72 -47.057 -6.615 8.265 1.00 0.00 C ATOM 1127 O GLY A 72 -46.901 -6.649 7.061 1.00 0.00 O ATOM 0 H GLY A 72 -48.481 -5.312 10.922 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -48.211 -4.787 8.228 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -46.869 -4.757 9.355 1.00 0.00 H new ATOM 1131 N CYS A 73 -46.717 -7.622 9.022 1.00 0.00 N ATOM 1132 CA CYS A 73 -46.122 -8.845 8.411 1.00 0.00 C ATOM 1133 C CYS A 73 -46.903 -9.218 7.149 1.00 0.00 C ATOM 1134 O CYS A 73 -46.349 -9.715 6.188 1.00 0.00 O ATOM 1135 CB CYS A 73 -46.190 -9.999 9.414 1.00 0.00 C ATOM 1136 SG CYS A 73 -44.855 -9.827 10.623 1.00 0.00 S ATOM 0 H CYS A 73 -46.825 -7.651 10.036 1.00 0.00 H new ATOM 0 HA CYS A 73 -45.082 -8.651 8.149 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -47.155 -9.999 9.920 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -46.103 -10.953 8.894 1.00 0.00 H new ATOM 1141 N MET A 74 -48.187 -8.983 7.143 1.00 0.00 N ATOM 1142 CA MET A 74 -49.001 -9.323 5.942 1.00 0.00 C ATOM 1143 C MET A 74 -48.255 -8.883 4.680 1.00 0.00 C ATOM 1144 O MET A 74 -48.040 -9.661 3.772 1.00 0.00 O ATOM 1145 CB MET A 74 -50.349 -8.603 6.016 1.00 0.00 C ATOM 1146 CG MET A 74 -51.182 -9.196 7.154 1.00 0.00 C ATOM 1147 SD MET A 74 -52.909 -8.689 6.964 1.00 0.00 S ATOM 1148 CE MET A 74 -53.416 -10.022 5.850 1.00 0.00 C ATOM 0 H MET A 74 -48.707 -8.571 7.918 1.00 0.00 H new ATOM 0 HA MET A 74 -49.168 -10.400 5.909 1.00 0.00 H new ATOM 0 HB2 MET A 74 -50.195 -7.537 6.181 1.00 0.00 H new ATOM 0 HB3 MET A 74 -50.881 -8.706 5.070 1.00 0.00 H new ATOM 0 HG2 MET A 74 -51.108 -10.283 7.145 1.00 0.00 H new ATOM 0 HG3 MET A 74 -50.796 -8.858 8.116 1.00 0.00 H new ATOM 0 HE1 MET A 74 -54.066 -9.620 5.073 1.00 0.00 H new ATOM 0 HE2 MET A 74 -52.534 -10.467 5.390 1.00 0.00 H new ATOM 0 HE3 MET A 74 -53.954 -10.784 6.415 1.00 0.00 H new ATOM 1158 N CYS A 75 -47.855 -7.643 4.618 1.00 0.00 N ATOM 1159 CA CYS A 75 -47.122 -7.158 3.416 1.00 0.00 C ATOM 1160 C CYS A 75 -46.022 -8.159 3.059 1.00 0.00 C ATOM 1161 O CYS A 75 -45.889 -8.572 1.924 1.00 0.00 O ATOM 1162 CB CYS A 75 -46.496 -5.794 3.715 1.00 0.00 C ATOM 1163 SG CYS A 75 -47.764 -4.678 4.366 1.00 0.00 S ATOM 0 H CYS A 75 -48.004 -6.946 5.347 1.00 0.00 H new ATOM 0 HA CYS A 75 -47.814 -7.061 2.579 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -45.687 -5.904 4.437 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -46.059 -5.376 2.808 1.00 0.00 H new ATOM 0 HG CYS A 75 -47.232 -3.520 4.622 1.00 0.00 H new ATOM 1168 N GLU A 76 -45.236 -8.559 4.022 1.00 0.00 N ATOM 1169 CA GLU A 76 -44.151 -9.539 3.737 1.00 0.00 C ATOM 1170 C GLU A 76 -44.776 -10.862 3.291 1.00 0.00 C ATOM 1171 O GLU A 76 -44.115 -11.718 2.736 1.00 0.00 O ATOM 1172 CB GLU A 76 -43.324 -9.766 5.004 1.00 0.00 C ATOM 1173 CG GLU A 76 -42.276 -10.850 4.743 1.00 0.00 C ATOM 1174 CD GLU A 76 -41.572 -11.205 6.054 1.00 0.00 C ATOM 1175 OE1 GLU A 76 -42.022 -10.745 7.089 1.00 0.00 O ATOM 1176 OE2 GLU A 76 -40.594 -11.933 6.000 1.00 0.00 O ATOM 0 H GLU A 76 -45.299 -8.250 4.992 1.00 0.00 H new ATOM 0 HA GLU A 76 -43.505 -9.154 2.948 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -42.836 -8.838 5.304 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -43.974 -10.064 5.827 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -42.751 -11.736 4.321 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -41.549 -10.499 4.011 1.00 0.00 H new ATOM 1183 N ALA A 77 -46.047 -11.033 3.528 1.00 0.00 N ATOM 1184 CA ALA A 77 -46.720 -12.296 3.117 1.00 0.00 C ATOM 1185 C ALA A 77 -47.001 -12.252 1.613 1.00 0.00 C ATOM 1186 O ALA A 77 -46.661 -13.161 0.882 1.00 0.00 O ATOM 1187 CB ALA A 77 -48.038 -12.445 3.879 1.00 0.00 C ATOM 0 H ALA A 77 -46.649 -10.351 3.989 1.00 0.00 H new ATOM 0 HA ALA A 77 -46.074 -13.144 3.344 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -48.530 -13.370 3.578 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -47.838 -12.473 4.950 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -48.687 -11.599 3.653 1.00 0.00 H new ATOM 1193 N LEU A 78 -47.614 -11.200 1.145 1.00 0.00 N ATOM 1194 CA LEU A 78 -47.907 -11.101 -0.311 1.00 0.00 C ATOM 1195 C LEU A 78 -46.589 -11.020 -1.082 1.00 0.00 C ATOM 1196 O LEU A 78 -46.436 -11.604 -2.137 1.00 0.00 O ATOM 1197 CB LEU A 78 -48.738 -9.844 -0.581 1.00 0.00 C ATOM 1198 CG LEU A 78 -50.017 -9.893 0.258 1.00 0.00 C ATOM 1199 CD1 LEU A 78 -50.838 -8.626 0.009 1.00 0.00 C ATOM 1200 CD2 LEU A 78 -50.840 -11.119 -0.139 1.00 0.00 C ATOM 0 H LEU A 78 -47.924 -10.407 1.707 1.00 0.00 H new ATOM 0 HA LEU A 78 -48.467 -11.978 -0.634 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -48.161 -8.953 -0.334 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -48.987 -9.779 -1.640 1.00 0.00 H new ATOM 0 HG LEU A 78 -49.757 -9.956 1.315 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -51.749 -8.660 0.606 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -50.252 -7.751 0.291 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -51.099 -8.563 -1.048 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -51.751 -11.155 0.458 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -51.101 -11.056 -1.195 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -50.256 -12.022 0.037 1.00 0.00 H new ATOM 1212 N GLN A 79 -45.630 -10.308 -0.556 1.00 0.00 N ATOM 1213 CA GLN A 79 -44.318 -10.198 -1.252 1.00 0.00 C ATOM 1214 C GLN A 79 -43.687 -11.586 -1.339 1.00 0.00 C ATOM 1215 O GLN A 79 -43.072 -11.941 -2.326 1.00 0.00 O ATOM 1216 CB GLN A 79 -43.397 -9.264 -0.465 1.00 0.00 C ATOM 1217 CG GLN A 79 -43.999 -7.857 -0.440 1.00 0.00 C ATOM 1218 CD GLN A 79 -43.279 -7.014 0.614 1.00 0.00 C ATOM 1219 OE1 GLN A 79 -42.831 -7.528 1.619 1.00 0.00 O ATOM 1220 NE2 GLN A 79 -43.147 -5.729 0.425 1.00 0.00 N ATOM 0 H GLN A 79 -45.699 -9.798 0.325 1.00 0.00 H new ATOM 0 HA GLN A 79 -44.464 -9.795 -2.254 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -43.269 -9.634 0.552 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -42.408 -9.240 -0.923 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -43.904 -7.391 -1.421 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -45.064 -7.909 -0.214 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -43.523 -5.296 -0.419 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -42.668 -5.158 1.121 1.00 0.00 H new ATOM 1229 N GLN A 80 -43.844 -12.379 -0.316 1.00 0.00 N ATOM 1230 CA GLN A 80 -43.263 -13.749 -0.340 1.00 0.00 C ATOM 1231 C GLN A 80 -43.857 -14.517 -1.520 1.00 0.00 C ATOM 1232 O GLN A 80 -43.152 -15.156 -2.277 1.00 0.00 O ATOM 1233 CB GLN A 80 -43.599 -14.471 0.965 1.00 0.00 C ATOM 1234 CG GLN A 80 -42.468 -14.254 1.974 1.00 0.00 C ATOM 1235 CD GLN A 80 -41.150 -14.752 1.377 1.00 0.00 C ATOM 1236 OE1 GLN A 80 -41.072 -15.862 0.889 1.00 0.00 O ATOM 1237 NE2 GLN A 80 -40.104 -13.972 1.397 1.00 0.00 N ATOM 0 H GLN A 80 -44.350 -12.137 0.536 1.00 0.00 H new ATOM 0 HA GLN A 80 -42.180 -13.690 -0.446 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -44.539 -14.095 1.370 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -43.735 -15.536 0.779 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -42.389 -13.196 2.226 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -42.685 -14.787 2.900 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -40.170 -13.040 1.807 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -39.220 -14.294 1.003 1.00 0.00 H new ATOM 1246 N ILE A 81 -45.150 -14.455 -1.689 1.00 0.00 N ATOM 1247 CA ILE A 81 -45.783 -15.176 -2.827 1.00 0.00 C ATOM 1248 C ILE A 81 -45.068 -14.783 -4.120 1.00 0.00 C ATOM 1249 O ILE A 81 -44.607 -15.624 -4.867 1.00 0.00 O ATOM 1250 CB ILE A 81 -47.263 -14.792 -2.920 1.00 0.00 C ATOM 1251 CG1 ILE A 81 -47.902 -14.881 -1.532 1.00 0.00 C ATOM 1252 CG2 ILE A 81 -47.978 -15.753 -3.872 1.00 0.00 C ATOM 1253 CD1 ILE A 81 -49.424 -14.798 -1.664 1.00 0.00 C ATOM 0 H ILE A 81 -45.793 -13.937 -1.089 1.00 0.00 H new ATOM 0 HA ILE A 81 -45.704 -16.252 -2.673 1.00 0.00 H new ATOM 0 HB ILE A 81 -47.352 -13.773 -3.296 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -47.619 -15.816 -1.049 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -47.537 -14.072 -0.899 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -49.031 -15.482 -3.940 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -47.523 -15.691 -4.861 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -47.889 -16.772 -3.495 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -49.879 -14.861 -0.676 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -49.698 -13.851 -2.129 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -49.781 -15.622 -2.281 1.00 0.00 H new ATOM 1265 N MET A 82 -44.964 -13.508 -4.387 1.00 0.00 N ATOM 1266 CA MET A 82 -44.270 -13.066 -5.629 1.00 0.00 C ATOM 1267 C MET A 82 -42.981 -13.866 -5.794 1.00 0.00 C ATOM 1268 O MET A 82 -42.713 -14.427 -6.837 1.00 0.00 O ATOM 1269 CB MET A 82 -43.934 -11.576 -5.523 1.00 0.00 C ATOM 1270 CG MET A 82 -45.132 -10.746 -5.988 1.00 0.00 C ATOM 1271 SD MET A 82 -44.655 -9.003 -6.090 1.00 0.00 S ATOM 1272 CE MET A 82 -44.333 -8.960 -7.871 1.00 0.00 C ATOM 0 H MET A 82 -45.328 -12.757 -3.801 1.00 0.00 H new ATOM 0 HA MET A 82 -44.918 -13.231 -6.490 1.00 0.00 H new ATOM 0 HB2 MET A 82 -43.680 -11.322 -4.494 1.00 0.00 H new ATOM 0 HB3 MET A 82 -43.060 -11.346 -6.133 1.00 0.00 H new ATOM 0 HG2 MET A 82 -45.476 -11.098 -6.961 1.00 0.00 H new ATOM 0 HG3 MET A 82 -45.963 -10.867 -5.293 1.00 0.00 H new ATOM 0 HE1 MET A 82 -43.272 -8.783 -8.045 1.00 0.00 H new ATOM 0 HE2 MET A 82 -44.619 -9.913 -8.316 1.00 0.00 H new ATOM 0 HE3 MET A 82 -44.914 -8.158 -8.327 1.00 0.00 H new ATOM 1282 N GLU A 83 -42.182 -13.922 -4.767 1.00 0.00 N ATOM 1283 CA GLU A 83 -40.908 -14.687 -4.855 1.00 0.00 C ATOM 1284 C GLU A 83 -41.218 -16.180 -4.943 1.00 0.00 C ATOM 1285 O GLU A 83 -40.612 -16.906 -5.705 1.00 0.00 O ATOM 1286 CB GLU A 83 -40.058 -14.409 -3.612 1.00 0.00 C ATOM 1287 CG GLU A 83 -40.019 -12.902 -3.350 1.00 0.00 C ATOM 1288 CD GLU A 83 -39.069 -12.612 -2.185 1.00 0.00 C ATOM 1289 OE1 GLU A 83 -38.774 -13.533 -1.443 1.00 0.00 O ATOM 1290 OE2 GLU A 83 -38.653 -11.471 -2.058 1.00 0.00 O ATOM 0 H GLU A 83 -42.356 -13.471 -3.869 1.00 0.00 H new ATOM 0 HA GLU A 83 -40.357 -14.379 -5.744 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -40.475 -14.929 -2.749 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -39.047 -14.791 -3.756 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -39.687 -12.375 -4.244 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -41.019 -12.536 -3.118 1.00 0.00 H new ATOM 1297 N ASN A 84 -42.164 -16.644 -4.175 1.00 0.00 N ATOM 1298 CA ASN A 84 -42.517 -18.089 -4.226 1.00 0.00 C ATOM 1299 C ASN A 84 -42.616 -18.521 -5.688 1.00 0.00 C ATOM 1300 O ASN A 84 -42.413 -19.671 -6.024 1.00 0.00 O ATOM 1301 CB ASN A 84 -43.863 -18.316 -3.533 1.00 0.00 C ATOM 1302 CG ASN A 84 -43.690 -18.171 -2.020 1.00 0.00 C ATOM 1303 OD1 ASN A 84 -44.471 -17.507 -1.369 1.00 0.00 O ATOM 1304 ND2 ASN A 84 -42.692 -18.770 -1.429 1.00 0.00 N ATOM 0 H ASN A 84 -42.707 -16.086 -3.516 1.00 0.00 H new ATOM 0 HA ASN A 84 -41.751 -18.674 -3.717 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -44.597 -17.596 -3.896 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -44.244 -19.309 -3.772 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -42.568 -18.680 -0.421 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -42.036 -19.328 -1.976 1.00 0.00 H new ATOM 1311 N GLN A 85 -42.922 -17.600 -6.561 1.00 0.00 N ATOM 1312 CA GLN A 85 -43.032 -17.946 -8.005 1.00 0.00 C ATOM 1313 C GLN A 85 -41.902 -17.254 -8.773 1.00 0.00 C ATOM 1314 O GLN A 85 -41.466 -17.720 -9.807 1.00 0.00 O ATOM 1315 CB GLN A 85 -44.382 -17.469 -8.544 1.00 0.00 C ATOM 1316 CG GLN A 85 -45.177 -18.670 -9.062 1.00 0.00 C ATOM 1317 CD GLN A 85 -44.693 -19.033 -10.466 1.00 0.00 C ATOM 1318 OE1 GLN A 85 -44.258 -18.179 -11.212 1.00 0.00 O ATOM 1319 NE2 GLN A 85 -44.751 -20.275 -10.863 1.00 0.00 N ATOM 0 H GLN A 85 -43.101 -16.622 -6.335 1.00 0.00 H new ATOM 0 HA GLN A 85 -42.955 -19.026 -8.131 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -44.941 -16.961 -7.758 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -44.231 -16.746 -9.346 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -45.051 -19.520 -8.391 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -46.241 -18.434 -9.082 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -45.116 -20.994 -10.238 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -44.431 -20.527 -11.798 1.00 0.00 H new ATOM 1328 N CYS A 86 -41.424 -16.146 -8.273 1.00 0.00 N ATOM 1329 CA CYS A 86 -40.322 -15.428 -8.973 1.00 0.00 C ATOM 1330 C CYS A 86 -40.003 -14.126 -8.236 1.00 0.00 C ATOM 1331 O CYS A 86 -40.658 -13.120 -8.421 1.00 0.00 O ATOM 1332 CB CYS A 86 -40.749 -15.109 -10.405 1.00 0.00 C ATOM 1333 SG CYS A 86 -39.933 -16.257 -11.542 1.00 0.00 S ATOM 0 H CYS A 86 -41.749 -15.708 -7.411 1.00 0.00 H new ATOM 0 HA CYS A 86 -39.435 -16.061 -8.989 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -41.832 -15.192 -10.501 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -40.485 -14.082 -10.655 1.00 0.00 H new ATOM 0 HG CYS A 86 -40.341 -17.468 -11.303 1.00 0.00 H new ATOM 1338 N ASP A 87 -38.997 -14.138 -7.405 1.00 0.00 N ATOM 1339 CA ASP A 87 -38.633 -12.899 -6.661 1.00 0.00 C ATOM 1340 C ASP A 87 -38.219 -11.814 -7.657 1.00 0.00 C ATOM 1341 O ASP A 87 -38.545 -10.654 -7.498 1.00 0.00 O ATOM 1342 CB ASP A 87 -37.468 -13.194 -5.714 1.00 0.00 C ATOM 1343 CG ASP A 87 -37.134 -11.937 -4.908 1.00 0.00 C ATOM 1344 OD1 ASP A 87 -37.845 -10.956 -5.057 1.00 0.00 O ATOM 1345 OD2 ASP A 87 -36.174 -11.975 -4.158 1.00 0.00 O ATOM 0 H ASP A 87 -38.412 -14.951 -7.209 1.00 0.00 H new ATOM 0 HA ASP A 87 -39.491 -12.556 -6.082 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -37.730 -14.011 -5.042 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -36.596 -13.517 -6.283 1.00 0.00 H new ATOM 1350 N ARG A 88 -37.505 -12.184 -8.685 1.00 0.00 N ATOM 1351 CA ARG A 88 -37.074 -11.175 -9.693 1.00 0.00 C ATOM 1352 C ARG A 88 -37.819 -11.425 -11.005 1.00 0.00 C ATOM 1353 O ARG A 88 -37.225 -11.737 -12.019 1.00 0.00 O ATOM 1354 CB ARG A 88 -35.566 -11.301 -9.932 1.00 0.00 C ATOM 1355 CG ARG A 88 -34.817 -11.033 -8.626 1.00 0.00 C ATOM 1356 CD ARG A 88 -33.312 -11.196 -8.858 1.00 0.00 C ATOM 1357 NE ARG A 88 -32.583 -10.964 -7.579 1.00 0.00 N ATOM 1358 CZ ARG A 88 -31.374 -11.430 -7.423 1.00 0.00 C ATOM 1359 NH1 ARG A 88 -30.698 -11.851 -8.457 1.00 0.00 N ATOM 1360 NH2 ARG A 88 -30.841 -11.474 -6.233 1.00 0.00 N ATOM 0 H ARG A 88 -37.202 -13.140 -8.870 1.00 0.00 H new ATOM 0 HA ARG A 88 -37.300 -10.173 -9.327 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -35.328 -12.298 -10.302 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -35.248 -10.593 -10.697 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -35.034 -10.026 -8.270 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -35.154 -11.724 -7.853 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -33.098 -12.196 -9.235 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -32.972 -10.490 -9.616 1.00 0.00 H new ATOM 0 HE ARG A 88 -33.029 -10.441 -6.825 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -31.115 -11.816 -9.387 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -29.753 -12.215 -8.335 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -31.369 -11.144 -5.425 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -29.896 -11.838 -6.111 1.00 0.00 H new ATOM 1374 N LEU A 89 -39.117 -11.293 -10.995 1.00 0.00 N ATOM 1375 CA LEU A 89 -39.901 -11.526 -12.242 1.00 0.00 C ATOM 1376 C LEU A 89 -39.223 -10.810 -13.413 1.00 0.00 C ATOM 1377 O LEU A 89 -39.387 -11.181 -14.558 1.00 0.00 O ATOM 1378 CB LEU A 89 -41.319 -10.982 -12.064 1.00 0.00 C ATOM 1379 CG LEU A 89 -42.038 -11.775 -10.973 1.00 0.00 C ATOM 1380 CD1 LEU A 89 -42.320 -10.863 -9.779 1.00 0.00 C ATOM 1381 CD2 LEU A 89 -43.359 -12.318 -11.522 1.00 0.00 C ATOM 0 H LEU A 89 -39.669 -11.034 -10.177 1.00 0.00 H new ATOM 0 HA LEU A 89 -39.946 -12.596 -12.447 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -41.283 -9.926 -11.797 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -41.868 -11.055 -13.003 1.00 0.00 H new ATOM 0 HG LEU A 89 -41.408 -12.605 -10.655 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -42.833 -11.429 -9.002 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -41.380 -10.477 -9.386 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -42.949 -10.032 -10.097 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -43.871 -12.883 -10.744 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -43.989 -11.488 -11.842 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -43.159 -12.970 -12.372 1.00 0.00 H new ATOM 1393 N GLN A 90 -38.465 -9.783 -13.137 1.00 0.00 N ATOM 1394 CA GLN A 90 -37.781 -9.047 -14.237 1.00 0.00 C ATOM 1395 C GLN A 90 -38.794 -8.157 -14.958 1.00 0.00 C ATOM 1396 O GLN A 90 -39.604 -8.626 -15.732 1.00 0.00 O ATOM 1397 CB GLN A 90 -37.184 -10.045 -15.231 1.00 0.00 C ATOM 1398 CG GLN A 90 -36.576 -11.223 -14.467 1.00 0.00 C ATOM 1399 CD GLN A 90 -35.504 -11.891 -15.331 1.00 0.00 C ATOM 1400 OE1 GLN A 90 -35.665 -12.020 -16.528 1.00 0.00 O ATOM 1401 NE2 GLN A 90 -34.408 -12.323 -14.770 1.00 0.00 N ATOM 0 H GLN A 90 -38.291 -9.423 -12.199 1.00 0.00 H new ATOM 0 HA GLN A 90 -36.984 -8.432 -13.820 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -37.956 -10.400 -15.914 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -36.421 -9.558 -15.838 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -36.140 -10.877 -13.530 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -37.352 -11.944 -14.210 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -34.273 -12.215 -13.765 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -33.687 -12.769 -15.337 1.00 0.00 H new ATOM 1410 N ASP A 91 -38.756 -6.878 -14.707 1.00 0.00 N ATOM 1411 CA ASP A 91 -39.716 -5.956 -15.376 1.00 0.00 C ATOM 1412 C ASP A 91 -39.883 -6.366 -16.841 1.00 0.00 C ATOM 1413 O ASP A 91 -39.097 -6.000 -17.692 1.00 0.00 O ATOM 1414 CB ASP A 91 -39.181 -4.524 -15.304 1.00 0.00 C ATOM 1415 CG ASP A 91 -40.248 -3.556 -15.816 1.00 0.00 C ATOM 1416 OD1 ASP A 91 -41.334 -4.015 -16.130 1.00 0.00 O ATOM 1417 OD2 ASP A 91 -39.962 -2.372 -15.883 1.00 0.00 O ATOM 0 H ASP A 91 -38.100 -6.431 -14.066 1.00 0.00 H new ATOM 0 HA ASP A 91 -40.681 -6.009 -14.873 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -38.912 -4.276 -14.277 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -38.274 -4.432 -15.902 1.00 0.00 H new ATOM 1422 N ARG A 92 -40.901 -7.126 -17.142 1.00 0.00 N ATOM 1423 CA ARG A 92 -41.118 -7.560 -18.551 1.00 0.00 C ATOM 1424 C ARG A 92 -42.585 -7.355 -18.929 1.00 0.00 C ATOM 1425 O ARG A 92 -42.922 -6.476 -19.697 1.00 0.00 O ATOM 1426 CB ARG A 92 -40.757 -9.040 -18.689 1.00 0.00 C ATOM 1427 CG ARG A 92 -40.867 -9.456 -20.159 1.00 0.00 C ATOM 1428 CD ARG A 92 -40.440 -10.918 -20.308 1.00 0.00 C ATOM 1429 NE ARG A 92 -38.983 -11.041 -20.024 1.00 0.00 N ATOM 1430 CZ ARG A 92 -38.109 -10.546 -20.857 1.00 0.00 C ATOM 1431 NH1 ARG A 92 -37.364 -9.537 -20.497 1.00 0.00 N ATOM 1432 NH2 ARG A 92 -37.980 -11.059 -22.050 1.00 0.00 N ATOM 0 H ARG A 92 -41.592 -7.465 -16.472 1.00 0.00 H new ATOM 0 HA ARG A 92 -40.487 -6.968 -19.214 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -39.744 -9.214 -18.325 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -41.424 -9.647 -18.077 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -41.891 -9.328 -20.509 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -40.237 -8.817 -20.777 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -41.009 -11.546 -19.623 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -40.656 -11.270 -21.317 1.00 0.00 H new ATOM 0 HE ARG A 92 -38.668 -11.513 -19.177 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -37.465 -9.136 -19.565 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -36.681 -9.150 -21.148 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -38.563 -11.847 -22.332 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -37.297 -10.672 -22.701 1.00 0.00 H new ATOM 1446 N GLN A 93 -43.464 -8.163 -18.399 1.00 0.00 N ATOM 1447 CA GLN A 93 -44.908 -8.013 -18.733 1.00 0.00 C ATOM 1448 C GLN A 93 -45.759 -8.690 -17.655 1.00 0.00 C ATOM 1449 O GLN A 93 -46.778 -8.173 -17.240 1.00 0.00 O ATOM 1450 CB GLN A 93 -45.190 -8.668 -20.087 1.00 0.00 C ATOM 1451 CG GLN A 93 -44.485 -7.878 -21.192 1.00 0.00 C ATOM 1452 CD GLN A 93 -44.908 -8.423 -22.557 1.00 0.00 C ATOM 1453 OE1 GLN A 93 -45.448 -9.509 -22.650 1.00 0.00 O ATOM 1454 NE2 GLN A 93 -44.684 -7.712 -23.627 1.00 0.00 N ATOM 0 H GLN A 93 -43.244 -8.919 -17.750 1.00 0.00 H new ATOM 0 HA GLN A 93 -45.158 -6.953 -18.780 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -44.840 -9.700 -20.084 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -46.264 -8.696 -20.273 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -44.738 -6.821 -21.116 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -43.404 -7.956 -21.076 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -44.231 -6.801 -23.549 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -44.962 -8.066 -24.542 1.00 0.00 H new ATOM 1463 N MET A 94 -45.352 -9.843 -17.198 1.00 0.00 N ATOM 1464 CA MET A 94 -46.139 -10.552 -16.151 1.00 0.00 C ATOM 1465 C MET A 94 -45.907 -9.881 -14.794 1.00 0.00 C ATOM 1466 O MET A 94 -46.836 -9.613 -14.056 1.00 0.00 O ATOM 1467 CB MET A 94 -45.693 -12.023 -16.106 1.00 0.00 C ATOM 1468 CG MET A 94 -45.538 -12.497 -14.657 1.00 0.00 C ATOM 1469 SD MET A 94 -47.166 -12.599 -13.874 1.00 0.00 S ATOM 1470 CE MET A 94 -46.587 -13.035 -12.215 1.00 0.00 C ATOM 0 H MET A 94 -44.507 -10.325 -17.505 1.00 0.00 H new ATOM 0 HA MET A 94 -47.203 -10.505 -16.384 1.00 0.00 H new ATOM 0 HB2 MET A 94 -46.424 -12.646 -16.622 1.00 0.00 H new ATOM 0 HB3 MET A 94 -44.747 -12.138 -16.635 1.00 0.00 H new ATOM 0 HG2 MET A 94 -45.050 -13.471 -14.633 1.00 0.00 H new ATOM 0 HG3 MET A 94 -44.900 -11.807 -14.104 1.00 0.00 H new ATOM 0 HE1 MET A 94 -47.439 -13.306 -11.592 1.00 0.00 H new ATOM 0 HE2 MET A 94 -45.901 -13.880 -12.279 1.00 0.00 H new ATOM 0 HE3 MET A 94 -46.072 -12.182 -11.774 1.00 0.00 H new ATOM 1480 N VAL A 95 -44.677 -9.607 -14.457 1.00 0.00 N ATOM 1481 CA VAL A 95 -44.387 -8.954 -13.149 1.00 0.00 C ATOM 1482 C VAL A 95 -45.315 -7.751 -12.956 1.00 0.00 C ATOM 1483 O VAL A 95 -45.587 -7.337 -11.847 1.00 0.00 O ATOM 1484 CB VAL A 95 -42.933 -8.480 -13.129 1.00 0.00 C ATOM 1485 CG1 VAL A 95 -42.735 -7.397 -14.190 1.00 0.00 C ATOM 1486 CG2 VAL A 95 -42.600 -7.910 -11.749 1.00 0.00 C ATOM 0 H VAL A 95 -43.859 -9.807 -15.032 1.00 0.00 H new ATOM 0 HA VAL A 95 -44.551 -9.670 -12.344 1.00 0.00 H new ATOM 0 HB VAL A 95 -42.274 -9.322 -13.342 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -41.699 -7.059 -14.176 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -42.971 -7.804 -15.173 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -43.394 -6.555 -13.978 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -41.564 -7.572 -11.735 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -43.259 -7.069 -11.534 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -42.740 -8.682 -10.993 1.00 0.00 H new ATOM 1496 N GLN A 96 -45.801 -7.185 -14.027 1.00 0.00 N ATOM 1497 CA GLN A 96 -46.706 -6.007 -13.902 1.00 0.00 C ATOM 1498 C GLN A 96 -48.081 -6.466 -13.415 1.00 0.00 C ATOM 1499 O GLN A 96 -48.385 -6.402 -12.241 1.00 0.00 O ATOM 1500 CB GLN A 96 -46.847 -5.324 -15.263 1.00 0.00 C ATOM 1501 CG GLN A 96 -45.612 -4.462 -15.530 1.00 0.00 C ATOM 1502 CD GLN A 96 -45.863 -3.576 -16.753 1.00 0.00 C ATOM 1503 OE1 GLN A 96 -46.885 -3.688 -17.400 1.00 0.00 O ATOM 1504 NE2 GLN A 96 -44.966 -2.693 -17.098 1.00 0.00 N ATOM 0 H GLN A 96 -45.611 -7.487 -14.982 1.00 0.00 H new ATOM 0 HA GLN A 96 -46.285 -5.302 -13.185 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -46.958 -6.072 -16.048 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -47.745 -4.707 -15.281 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -45.391 -3.844 -14.659 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -44.742 -5.097 -15.700 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -44.108 -2.599 -16.555 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -45.123 -2.097 -17.911 1.00 0.00 H new ATOM 1513 N GLN A 97 -48.913 -6.927 -14.308 1.00 0.00 N ATOM 1514 CA GLN A 97 -50.270 -7.391 -13.896 1.00 0.00 C ATOM 1515 C GLN A 97 -50.164 -8.125 -12.559 1.00 0.00 C ATOM 1516 O GLN A 97 -50.997 -7.973 -11.687 1.00 0.00 O ATOM 1517 CB GLN A 97 -50.830 -8.340 -14.956 1.00 0.00 C ATOM 1518 CG GLN A 97 -51.198 -7.546 -16.210 1.00 0.00 C ATOM 1519 CD GLN A 97 -51.265 -8.492 -17.411 1.00 0.00 C ATOM 1520 OE1 GLN A 97 -51.208 -9.695 -17.255 1.00 0.00 O ATOM 1521 NE2 GLN A 97 -51.385 -7.995 -18.612 1.00 0.00 N ATOM 0 H GLN A 97 -48.713 -7.003 -15.305 1.00 0.00 H new ATOM 0 HA GLN A 97 -50.935 -6.534 -13.793 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -50.093 -9.105 -15.200 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -51.708 -8.856 -14.569 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -52.158 -7.050 -16.070 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -50.459 -6.765 -16.389 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -51.433 -6.985 -18.743 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -51.431 -8.617 -19.419 1.00 0.00 H new ATOM 1530 N PHE A 98 -49.142 -8.917 -12.393 1.00 0.00 N ATOM 1531 CA PHE A 98 -48.977 -9.657 -11.113 1.00 0.00 C ATOM 1532 C PHE A 98 -49.001 -8.662 -9.956 1.00 0.00 C ATOM 1533 O PHE A 98 -49.758 -8.803 -9.016 1.00 0.00 O ATOM 1534 CB PHE A 98 -47.638 -10.401 -11.121 1.00 0.00 C ATOM 1535 CG PHE A 98 -47.580 -11.376 -9.966 1.00 0.00 C ATOM 1536 CD1 PHE A 98 -48.739 -11.689 -9.243 1.00 0.00 C ATOM 1537 CD2 PHE A 98 -46.360 -11.972 -9.620 1.00 0.00 C ATOM 1538 CE1 PHE A 98 -48.676 -12.595 -8.177 1.00 0.00 C ATOM 1539 CE2 PHE A 98 -46.298 -12.877 -8.554 1.00 0.00 C ATOM 1540 CZ PHE A 98 -47.456 -13.188 -7.833 1.00 0.00 C ATOM 0 H PHE A 98 -48.415 -9.083 -13.088 1.00 0.00 H new ATOM 0 HA PHE A 98 -49.787 -10.377 -10.996 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -47.515 -10.934 -12.064 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -46.816 -9.688 -11.048 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -49.681 -11.232 -9.508 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -45.466 -11.733 -10.177 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -49.569 -12.836 -7.620 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -45.357 -13.335 -8.288 1.00 0.00 H new ATOM 0 HZ PHE A 98 -47.408 -13.886 -7.010 1.00 0.00 H new ATOM 1550 N LYS A 99 -48.182 -7.654 -10.022 1.00 0.00 N ATOM 1551 CA LYS A 99 -48.164 -6.643 -8.931 1.00 0.00 C ATOM 1552 C LYS A 99 -49.519 -5.939 -8.883 1.00 0.00 C ATOM 1553 O LYS A 99 -49.956 -5.482 -7.846 1.00 0.00 O ATOM 1554 CB LYS A 99 -47.061 -5.616 -9.200 1.00 0.00 C ATOM 1555 CG LYS A 99 -46.851 -4.756 -7.952 1.00 0.00 C ATOM 1556 CD LYS A 99 -45.765 -3.716 -8.227 1.00 0.00 C ATOM 1557 CE LYS A 99 -45.396 -3.007 -6.922 1.00 0.00 C ATOM 1558 NZ LYS A 99 -44.451 -3.857 -6.145 1.00 0.00 N ATOM 0 H LYS A 99 -47.524 -7.485 -10.783 1.00 0.00 H new ATOM 0 HA LYS A 99 -47.970 -7.134 -7.977 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -46.134 -6.123 -9.466 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -47.334 -4.987 -10.047 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -47.782 -4.261 -7.677 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -46.563 -5.384 -7.109 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -44.885 -4.197 -8.653 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -46.118 -2.991 -8.960 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -44.940 -2.041 -7.137 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -46.294 -2.812 -6.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -44.121 -3.334 -5.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -44.935 -4.726 -5.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -43.636 -4.105 -6.742 1.00 0.00 H new ATOM 1572 N ARG A 100 -50.193 -5.859 -9.999 1.00 0.00 N ATOM 1573 CA ARG A 100 -51.524 -5.194 -10.014 1.00 0.00 C ATOM 1574 C ARG A 100 -52.527 -6.082 -9.281 1.00 0.00 C ATOM 1575 O ARG A 100 -53.217 -5.644 -8.382 1.00 0.00 O ATOM 1576 CB ARG A 100 -51.979 -4.986 -11.460 1.00 0.00 C ATOM 1577 CG ARG A 100 -53.199 -4.063 -11.482 1.00 0.00 C ATOM 1578 CD ARG A 100 -53.608 -3.794 -12.932 1.00 0.00 C ATOM 1579 NE ARG A 100 -53.939 -5.082 -13.602 1.00 0.00 N ATOM 1580 CZ ARG A 100 -55.084 -5.226 -14.211 1.00 0.00 C ATOM 1581 NH1 ARG A 100 -55.532 -4.278 -14.989 1.00 0.00 N ATOM 1582 NH2 ARG A 100 -55.781 -6.315 -14.042 1.00 0.00 N ATOM 0 H ARG A 100 -49.879 -6.225 -10.898 1.00 0.00 H new ATOM 0 HA ARG A 100 -51.459 -4.225 -9.520 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -51.170 -4.552 -12.048 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -52.226 -5.944 -11.916 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -54.025 -4.522 -10.939 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -52.968 -3.125 -10.978 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -54.469 -3.126 -12.960 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -52.798 -3.293 -13.463 1.00 0.00 H new ATOM 0 HE ARG A 100 -53.270 -5.852 -13.585 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -54.987 -3.426 -15.120 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -56.427 -4.390 -15.466 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -55.431 -7.055 -13.433 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -56.676 -6.427 -14.518 1.00 0.00 H new ATOM 1596 N GLU A 101 -52.604 -7.335 -9.643 1.00 0.00 N ATOM 1597 CA GLU A 101 -53.551 -8.243 -8.944 1.00 0.00 C ATOM 1598 C GLU A 101 -53.055 -8.433 -7.512 1.00 0.00 C ATOM 1599 O GLU A 101 -53.818 -8.407 -6.566 1.00 0.00 O ATOM 1600 CB GLU A 101 -53.596 -9.591 -9.664 1.00 0.00 C ATOM 1601 CG GLU A 101 -54.651 -10.484 -9.008 1.00 0.00 C ATOM 1602 CD GLU A 101 -54.868 -11.732 -9.868 1.00 0.00 C ATOM 1603 OE1 GLU A 101 -54.170 -11.872 -10.858 1.00 0.00 O ATOM 1604 OE2 GLU A 101 -55.728 -12.524 -9.520 1.00 0.00 O ATOM 0 H GLU A 101 -52.055 -7.764 -10.388 1.00 0.00 H new ATOM 0 HA GLU A 101 -54.555 -7.818 -8.940 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -53.832 -9.445 -10.718 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -52.619 -10.072 -9.620 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -54.329 -10.770 -8.007 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -55.588 -9.938 -8.898 1.00 0.00 H new ATOM 1611 N LEU A 102 -51.773 -8.609 -7.351 1.00 0.00 N ATOM 1612 CA LEU A 102 -51.207 -8.783 -5.988 1.00 0.00 C ATOM 1613 C LEU A 102 -51.577 -7.566 -5.140 1.00 0.00 C ATOM 1614 O LEU A 102 -51.942 -7.688 -3.988 1.00 0.00 O ATOM 1615 CB LEU A 102 -49.685 -8.897 -6.078 1.00 0.00 C ATOM 1616 CG LEU A 102 -49.307 -10.279 -6.612 1.00 0.00 C ATOM 1617 CD1 LEU A 102 -47.789 -10.360 -6.781 1.00 0.00 C ATOM 1618 CD2 LEU A 102 -49.770 -11.351 -5.623 1.00 0.00 C ATOM 0 H LEU A 102 -51.092 -8.640 -8.109 1.00 0.00 H new ATOM 0 HA LEU A 102 -51.609 -9.688 -5.533 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -49.290 -8.121 -6.734 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -49.239 -8.741 -5.096 1.00 0.00 H new ATOM 0 HG LEU A 102 -49.789 -10.443 -7.576 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -47.517 -11.345 -7.162 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -47.460 -9.595 -7.485 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -47.306 -10.198 -5.817 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -49.501 -12.337 -6.003 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -49.288 -11.189 -4.659 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -50.852 -11.292 -5.502 1.00 0.00 H new ATOM 1630 N MET A 103 -51.486 -6.387 -5.701 1.00 0.00 N ATOM 1631 CA MET A 103 -51.835 -5.167 -4.923 1.00 0.00 C ATOM 1632 C MET A 103 -53.243 -5.322 -4.347 1.00 0.00 C ATOM 1633 O MET A 103 -53.563 -4.783 -3.307 1.00 0.00 O ATOM 1634 CB MET A 103 -51.789 -3.944 -5.841 1.00 0.00 C ATOM 1635 CG MET A 103 -50.399 -3.309 -5.773 1.00 0.00 C ATOM 1636 SD MET A 103 -50.139 -2.601 -4.128 1.00 0.00 S ATOM 1637 CE MET A 103 -51.340 -1.255 -4.268 1.00 0.00 C ATOM 0 H MET A 103 -51.186 -6.220 -6.661 1.00 0.00 H new ATOM 0 HA MET A 103 -51.120 -5.035 -4.111 1.00 0.00 H new ATOM 0 HB2 MET A 103 -52.018 -4.236 -6.866 1.00 0.00 H new ATOM 0 HB3 MET A 103 -52.546 -3.221 -5.539 1.00 0.00 H new ATOM 0 HG2 MET A 103 -49.635 -4.057 -5.983 1.00 0.00 H new ATOM 0 HG3 MET A 103 -50.304 -2.534 -6.533 1.00 0.00 H new ATOM 0 HE1 MET A 103 -51.021 -0.417 -3.648 1.00 0.00 H new ATOM 0 HE2 MET A 103 -51.406 -0.933 -5.307 1.00 0.00 H new ATOM 0 HE3 MET A 103 -52.317 -1.603 -3.933 1.00 0.00 H new ATOM 1647 N SER A 104 -54.088 -6.058 -5.016 1.00 0.00 N ATOM 1648 CA SER A 104 -55.474 -6.252 -4.506 1.00 0.00 C ATOM 1649 C SER A 104 -55.476 -7.349 -3.438 1.00 0.00 C ATOM 1650 O SER A 104 -56.294 -7.352 -2.540 1.00 0.00 O ATOM 1651 CB SER A 104 -56.389 -6.662 -5.661 1.00 0.00 C ATOM 1652 OG SER A 104 -56.157 -8.023 -5.988 1.00 0.00 O ATOM 0 H SER A 104 -53.878 -6.533 -5.894 1.00 0.00 H new ATOM 0 HA SER A 104 -55.835 -5.320 -4.070 1.00 0.00 H new ATOM 0 HB2 SER A 104 -57.433 -6.517 -5.382 1.00 0.00 H new ATOM 0 HB3 SER A 104 -56.201 -6.031 -6.530 1.00 0.00 H new ATOM 0 HG SER A 104 -55.386 -8.088 -6.589 1.00 0.00 H new ATOM 1658 N LEU A 105 -54.567 -8.282 -3.529 1.00 0.00 N ATOM 1659 CA LEU A 105 -54.518 -9.380 -2.522 1.00 0.00 C ATOM 1660 C LEU A 105 -54.654 -8.803 -1.110 1.00 0.00 C ATOM 1661 O LEU A 105 -55.431 -9.288 -0.312 1.00 0.00 O ATOM 1662 CB LEU A 105 -53.190 -10.130 -2.642 1.00 0.00 C ATOM 1663 CG LEU A 105 -53.320 -11.233 -3.695 1.00 0.00 C ATOM 1664 CD1 LEU A 105 -52.045 -12.078 -3.706 1.00 0.00 C ATOM 1665 CD2 LEU A 105 -54.517 -12.123 -3.358 1.00 0.00 C ATOM 0 H LEU A 105 -53.856 -8.331 -4.258 1.00 0.00 H new ATOM 0 HA LEU A 105 -55.342 -10.068 -2.708 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -52.394 -9.439 -2.920 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -52.916 -10.562 -1.680 1.00 0.00 H new ATOM 0 HG LEU A 105 -53.468 -10.782 -4.676 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -52.136 -12.864 -4.456 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -51.191 -11.445 -3.946 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -51.898 -12.528 -2.724 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -54.609 -12.908 -4.108 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -54.370 -12.574 -2.377 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -55.426 -11.522 -3.349 1.00 0.00 H new ATOM 1677 N PRO A 106 -53.888 -7.746 -0.792 1.00 0.00 N ATOM 1678 CA PRO A 106 -53.939 -7.114 0.531 1.00 0.00 C ATOM 1679 C PRO A 106 -55.285 -6.427 0.761 1.00 0.00 C ATOM 1680 O PRO A 106 -55.596 -5.987 1.851 1.00 0.00 O ATOM 1681 CB PRO A 106 -52.812 -6.083 0.484 1.00 0.00 C ATOM 1682 CG PRO A 106 -52.638 -5.789 -0.965 1.00 0.00 C ATOM 1683 CD PRO A 106 -52.921 -7.080 -1.683 1.00 0.00 C ATOM 0 HA PRO A 106 -53.827 -7.833 1.342 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -53.072 -5.184 1.043 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -51.895 -6.477 0.922 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -53.321 -5.004 -1.289 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -51.627 -5.439 -1.174 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -53.338 -6.908 -2.675 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -52.017 -7.675 -1.816 1.00 0.00 H new ATOM 1691 N GLN A 107 -56.092 -6.344 -0.261 1.00 0.00 N ATOM 1692 CA GLN A 107 -57.424 -5.699 -0.112 1.00 0.00 C ATOM 1693 C GLN A 107 -58.444 -6.758 0.304 1.00 0.00 C ATOM 1694 O GLN A 107 -59.252 -6.543 1.185 1.00 0.00 O ATOM 1695 CB GLN A 107 -57.845 -5.078 -1.445 1.00 0.00 C ATOM 1696 CG GLN A 107 -56.990 -3.842 -1.724 1.00 0.00 C ATOM 1697 CD GLN A 107 -57.443 -3.195 -3.034 1.00 0.00 C ATOM 1698 OE1 GLN A 107 -58.213 -3.773 -3.776 1.00 0.00 O ATOM 1699 NE2 GLN A 107 -56.995 -2.012 -3.354 1.00 0.00 N ATOM 0 H GLN A 107 -55.884 -6.697 -1.195 1.00 0.00 H new ATOM 0 HA GLN A 107 -57.373 -4.918 0.646 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -57.728 -5.804 -2.250 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -58.900 -4.804 -1.414 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -57.082 -3.130 -0.904 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -55.938 -4.121 -1.788 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -56.349 -1.526 -2.732 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -57.291 -1.573 -4.226 1.00 0.00 H new ATOM 1708 N GLN A 108 -58.418 -7.896 -0.337 1.00 0.00 N ATOM 1709 CA GLN A 108 -59.390 -8.976 0.007 1.00 0.00 C ATOM 1710 C GLN A 108 -59.654 -8.979 1.516 1.00 0.00 C ATOM 1711 O GLN A 108 -60.726 -9.334 1.966 1.00 0.00 O ATOM 1712 CB GLN A 108 -58.817 -10.331 -0.413 1.00 0.00 C ATOM 1713 CG GLN A 108 -59.878 -11.415 -0.211 1.00 0.00 C ATOM 1714 CD GLN A 108 -59.341 -12.758 -0.710 1.00 0.00 C ATOM 1715 OE1 GLN A 108 -58.391 -12.803 -1.464 1.00 0.00 O ATOM 1716 NE2 GLN A 108 -59.917 -13.863 -0.318 1.00 0.00 N ATOM 0 H GLN A 108 -57.764 -8.125 -1.086 1.00 0.00 H new ATOM 0 HA GLN A 108 -60.327 -8.796 -0.520 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -58.507 -10.300 -1.458 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -57.929 -10.561 0.176 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -60.143 -11.487 0.844 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -60.788 -11.153 -0.751 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -60.715 -13.825 0.316 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -59.568 -14.764 -0.646 1.00 0.00 H new ATOM 1725 N CYS A 109 -58.689 -8.587 2.302 1.00 0.00 N ATOM 1726 CA CYS A 109 -58.891 -8.568 3.779 1.00 0.00 C ATOM 1727 C CYS A 109 -59.062 -7.125 4.258 1.00 0.00 C ATOM 1728 O CYS A 109 -59.583 -6.875 5.327 1.00 0.00 O ATOM 1729 CB CYS A 109 -57.677 -9.194 4.469 1.00 0.00 C ATOM 1730 SG CYS A 109 -57.476 -10.902 3.905 1.00 0.00 S ATOM 0 H CYS A 109 -57.769 -8.279 1.986 1.00 0.00 H new ATOM 0 HA CYS A 109 -59.786 -9.139 4.027 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -56.780 -8.617 4.244 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -57.808 -9.170 5.551 1.00 0.00 H new ATOM 1735 N ASN A 110 -58.627 -6.174 3.478 1.00 0.00 N ATOM 1736 CA ASN A 110 -58.765 -4.750 3.893 1.00 0.00 C ATOM 1737 C ASN A 110 -57.932 -4.503 5.150 1.00 0.00 C ATOM 1738 O ASN A 110 -58.339 -3.794 6.049 1.00 0.00 O ATOM 1739 CB ASN A 110 -60.236 -4.446 4.188 1.00 0.00 C ATOM 1740 CG ASN A 110 -61.100 -4.911 3.014 1.00 0.00 C ATOM 1741 OD1 ASN A 110 -62.031 -5.671 3.193 1.00 0.00 O ATOM 1742 ND2 ASN A 110 -60.827 -4.486 1.811 1.00 0.00 N ATOM 0 H ASN A 110 -58.182 -6.321 2.572 1.00 0.00 H new ATOM 0 HA ASN A 110 -58.413 -4.101 3.091 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -60.546 -4.950 5.103 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -60.371 -3.377 4.352 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -61.395 -4.792 1.021 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -60.046 -3.848 1.661 1.00 0.00 H new