USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 490 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 48 CYS SG : rot 164:sc= -0.98 USER MOD Set 1.2: A 50 HIS : no HE2:sc= 0.0564 K(o=-0.91,f=-5.3!) USER MOD Set 1.3: A 67 CYS SG : rot 39:sc= 1.2 USER MOD Set 1.4: A 70 CYS SG : rot -48:sc= -1.18 USER MOD Set 2.1: A 18 CYS SG : rot 130:sc= -1.41 USER MOD Set 2.2: A 21 CYS SG : rot -53:sc= -0.492 USER MOD Set 2.3: A 29 CYS SG : rot -124:sc= 0.0455 USER MOD Set 2.4: A 32 CYS SG : rot 151:sc= -1.39 USER MOD Set 2.5: A 41 CYS SG : rot -40:sc= 0.261 USER MOD Set 2.6: A 53 HIS : +bothHN:sc= -0.719! C(o=-4.2!,f=-13!) USER MOD Set 2.7: A 55 CYS SG : rot -116:sc= 0.345 USER MOD Set 2.8: A 56 CYS SG : rot 40:sc= -0.853 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.0203 X(o=-0.02,f=-0.2) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0.572 K(o=0.57,f=-0.47) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0783) USER MOD Single : A 38 GLN : amide:sc= -0.655 K(o=-0.65,f=-1.3) USER MOD Single : A 49 ASN : amide:sc= -0.0914 K(o=-0.091,f=-0.73) USER MOD Single : A 51 SER OG : rot -170:sc= -0.325 USER MOD Single : A 54 ASN :FLIP amide:sc= -0.752 F(o=-3.7!,f=-0.75) USER MOD Single : A 57 MET CE :methyl 166:sc= 0 (180deg=-0.205) USER MOD Single : A 58 SER OG : rot 95:sc= 0.698 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.176 K(o=-0.18,f=-3.3!) USER MOD Single : A 64 ASN : amide:sc= -0.0419 X(o=-0.042,f=-0.043) USER MOD Single : A 65 ASN : amide:sc= -0.309 K(o=-0.31,f=-2.9!) USER MOD Single : A 71 GLN : amide:sc= -6.03! C(o=-6!,f=-8.1!) USER MOD Single : A 72 GLN : amide:sc= -0.0267 K(o=-0.027,f=-0.99) USER MOD Single : A 77 GLN : amide:sc=-0.000406 X(o=-0.00041,f=0) USER MOD Single : A 81 LYS NZ :NH3+ 160:sc= -0.0995 (180deg=-0.506) USER MOD ----------------------------------------------------------------- ATOM 208 N THR A 17 8.765 -6.249 -0.146 1.00 0.00 N ATOM 209 CA THR A 17 7.560 -5.683 0.445 1.00 0.00 C ATOM 210 C THR A 17 7.736 -4.198 0.740 1.00 0.00 C ATOM 211 O THR A 17 8.624 -3.805 1.497 1.00 0.00 O ATOM 212 CB THR A 17 7.178 -6.411 1.748 1.00 0.00 C ATOM 213 OG1 THR A 17 6.693 -7.725 1.452 1.00 0.00 O ATOM 214 CG2 THR A 17 6.117 -5.634 2.512 1.00 0.00 C ATOM 0 HA THR A 17 6.760 -5.813 -0.284 1.00 0.00 H new ATOM 0 HB THR A 17 8.070 -6.485 2.370 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.454 -8.181 2.286 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.864 -6.168 3.428 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.500 -4.645 2.763 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.225 -5.531 1.894 1.00 0.00 H new ATOM 222 N CYS A 18 6.884 -3.375 0.137 1.00 0.00 N ATOM 223 CA CYS A 18 6.945 -1.932 0.334 1.00 0.00 C ATOM 224 C CYS A 18 7.153 -1.592 1.807 1.00 0.00 C ATOM 225 O CYS A 18 6.242 -1.732 2.622 1.00 0.00 O ATOM 226 CB CYS A 18 5.662 -1.272 -0.176 1.00 0.00 C ATOM 227 SG CYS A 18 5.618 0.536 0.044 1.00 0.00 S ATOM 0 H CYS A 18 6.143 -3.683 -0.492 1.00 0.00 H new ATOM 0 HA CYS A 18 7.794 -1.549 -0.233 1.00 0.00 H new ATOM 0 HB2 CYS A 18 5.544 -1.501 -1.235 1.00 0.00 H new ATOM 0 HB3 CYS A 18 4.809 -1.711 0.342 1.00 0.00 H new ATOM 0 HG CYS A 18 5.288 1.102 -1.079 1.00 0.00 H new ATOM 232 N ALA A 19 8.359 -1.145 2.141 1.00 0.00 N ATOM 233 CA ALA A 19 8.687 -0.783 3.514 1.00 0.00 C ATOM 234 C ALA A 19 7.955 0.486 3.937 1.00 0.00 C ATOM 235 O ALA A 19 7.695 0.698 5.122 1.00 0.00 O ATOM 236 CB ALA A 19 10.190 -0.605 3.669 1.00 0.00 C ATOM 0 H ALA A 19 9.125 -1.025 1.479 1.00 0.00 H new ATOM 0 HA ALA A 19 8.360 -1.594 4.165 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.420 -0.335 4.700 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.695 -1.538 3.417 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.534 0.185 3.001 1.00 0.00 H new ATOM 242 N ILE A 20 7.627 1.327 2.962 1.00 0.00 N ATOM 243 CA ILE A 20 6.925 2.575 3.235 1.00 0.00 C ATOM 244 C ILE A 20 5.638 2.323 4.012 1.00 0.00 C ATOM 245 O ILE A 20 5.401 2.931 5.056 1.00 0.00 O ATOM 246 CB ILE A 20 6.588 3.327 1.933 1.00 0.00 C ATOM 247 CG1 ILE A 20 7.849 3.519 1.088 1.00 0.00 C ATOM 248 CG2 ILE A 20 5.945 4.669 2.248 1.00 0.00 C ATOM 249 CD1 ILE A 20 7.579 3.553 -0.400 1.00 0.00 C ATOM 0 H ILE A 20 7.836 1.167 1.977 1.00 0.00 H new ATOM 0 HA ILE A 20 7.595 3.189 3.837 1.00 0.00 H new ATOM 0 HB ILE A 20 5.877 2.731 1.360 1.00 0.00 H new ATOM 0 HG12 ILE A 20 8.336 4.449 1.382 1.00 0.00 H new ATOM 0 HG13 ILE A 20 8.548 2.711 1.304 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.713 5.188 1.318 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.027 4.509 2.813 1.00 0.00 H new ATOM 0 HG23 ILE A 20 6.634 5.273 2.839 1.00 0.00 H new ATOM 0 HD11 ILE A 20 8.517 3.692 -0.937 1.00 0.00 H new ATOM 0 HD12 ILE A 20 7.120 2.614 -0.708 1.00 0.00 H new ATOM 0 HD13 ILE A 20 6.905 4.378 -0.629 1.00 0.00 H new ATOM 261 N CYS A 21 4.809 1.422 3.496 1.00 0.00 N ATOM 262 CA CYS A 21 3.545 1.087 4.141 1.00 0.00 C ATOM 263 C CYS A 21 3.574 -0.336 4.690 1.00 0.00 C ATOM 264 O CYS A 21 2.673 -0.750 5.418 1.00 0.00 O ATOM 265 CB CYS A 21 2.387 1.241 3.153 1.00 0.00 C ATOM 266 SG CYS A 21 2.462 0.098 1.737 1.00 0.00 S ATOM 0 H CYS A 21 4.990 0.910 2.632 1.00 0.00 H new ATOM 0 HA CYS A 21 3.398 1.775 4.973 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.448 1.085 3.683 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.376 2.265 2.780 1.00 0.00 H new ATOM 0 HG CYS A 21 3.620 0.203 1.156 1.00 0.00 H new ATOM 271 N ARG A 22 4.617 -1.080 4.334 1.00 0.00 N ATOM 272 CA ARG A 22 4.764 -2.457 4.789 1.00 0.00 C ATOM 273 C ARG A 22 3.677 -3.346 4.192 1.00 0.00 C ATOM 274 O ARG A 22 3.132 -4.219 4.869 1.00 0.00 O ATOM 275 CB ARG A 22 4.707 -2.521 6.317 1.00 0.00 C ATOM 276 CG ARG A 22 5.714 -1.611 7.002 1.00 0.00 C ATOM 277 CD ARG A 22 7.122 -2.183 6.927 1.00 0.00 C ATOM 278 NE ARG A 22 7.217 -3.490 7.572 1.00 0.00 N ATOM 279 CZ ARG A 22 8.305 -4.250 7.535 1.00 0.00 C ATOM 280 NH1 ARG A 22 9.385 -3.836 6.888 1.00 0.00 N ATOM 281 NH2 ARG A 22 8.315 -5.427 8.147 1.00 0.00 N ATOM 0 H ARG A 22 5.372 -0.752 3.732 1.00 0.00 H new ATOM 0 HA ARG A 22 5.734 -2.822 4.452 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.703 -2.252 6.646 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.882 -3.548 6.636 1.00 0.00 H new ATOM 0 HG2 ARG A 22 5.694 -0.627 6.534 1.00 0.00 H new ATOM 0 HG3 ARG A 22 5.431 -1.473 8.046 1.00 0.00 H new ATOM 0 HD2 ARG A 22 7.422 -2.271 5.883 1.00 0.00 H new ATOM 0 HD3 ARG A 22 7.819 -1.493 7.402 1.00 0.00 H new ATOM 0 HE ARG A 22 6.403 -3.838 8.079 1.00 0.00 H new ATOM 0 HH11 ARG A 22 9.382 -2.931 6.417 1.00 0.00 H new ATOM 0 HH12 ARG A 22 10.219 -4.422 6.861 1.00 0.00 H new ATOM 0 HH21 ARG A 22 7.486 -5.749 8.647 1.00 0.00 H new ATOM 0 HH22 ARG A 22 9.152 -6.010 8.118 1.00 0.00 H new ATOM 295 N VAL A 23 3.365 -3.117 2.920 1.00 0.00 N ATOM 296 CA VAL A 23 2.343 -3.897 2.232 1.00 0.00 C ATOM 297 C VAL A 23 2.899 -4.529 0.960 1.00 0.00 C ATOM 298 O VAL A 23 3.781 -3.968 0.311 1.00 0.00 O ATOM 299 CB VAL A 23 1.123 -3.029 1.870 1.00 0.00 C ATOM 300 CG1 VAL A 23 0.075 -3.858 1.144 1.00 0.00 C ATOM 301 CG2 VAL A 23 0.537 -2.388 3.118 1.00 0.00 C ATOM 0 H VAL A 23 3.805 -2.398 2.346 1.00 0.00 H new ATOM 0 HA VAL A 23 2.029 -4.683 2.918 1.00 0.00 H new ATOM 0 HB VAL A 23 1.450 -2.234 1.200 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.779 -3.228 0.896 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.503 -4.265 0.228 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.251 -4.676 1.787 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.324 -1.778 2.844 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.224 -3.166 3.814 1.00 0.00 H new ATOM 0 HG23 VAL A 23 1.291 -1.759 3.592 1.00 0.00 H new ATOM 311 N GLN A 24 2.375 -5.700 0.611 1.00 0.00 N ATOM 312 CA GLN A 24 2.820 -6.409 -0.584 1.00 0.00 C ATOM 313 C GLN A 24 2.869 -5.471 -1.786 1.00 0.00 C ATOM 314 O GLN A 24 1.833 -5.082 -2.325 1.00 0.00 O ATOM 315 CB GLN A 24 1.890 -7.587 -0.879 1.00 0.00 C ATOM 316 CG GLN A 24 1.848 -8.622 0.234 1.00 0.00 C ATOM 317 CD GLN A 24 2.931 -9.673 0.096 1.00 0.00 C ATOM 318 OE1 GLN A 24 3.105 -10.265 -0.970 1.00 0.00 O ATOM 319 NE2 GLN A 24 3.668 -9.910 1.175 1.00 0.00 N ATOM 0 H GLN A 24 1.643 -6.177 1.137 1.00 0.00 H new ATOM 0 HA GLN A 24 3.826 -6.787 -0.399 1.00 0.00 H new ATOM 0 HB2 GLN A 24 0.882 -7.209 -1.051 1.00 0.00 H new ATOM 0 HB3 GLN A 24 2.211 -8.070 -1.802 1.00 0.00 H new ATOM 0 HG2 GLN A 24 1.955 -8.120 1.196 1.00 0.00 H new ATOM 0 HG3 GLN A 24 0.873 -9.109 0.235 1.00 0.00 H new ATOM 0 HE21 GLN A 24 3.489 -9.396 2.038 1.00 0.00 H new ATOM 0 HE22 GLN A 24 4.413 -10.606 1.141 1.00 0.00 H new ATOM 328 N VAL A 25 4.079 -5.112 -2.202 1.00 0.00 N ATOM 329 CA VAL A 25 4.264 -4.221 -3.341 1.00 0.00 C ATOM 330 C VAL A 25 3.385 -4.640 -4.514 1.00 0.00 C ATOM 331 O VAL A 25 2.856 -3.797 -5.238 1.00 0.00 O ATOM 332 CB VAL A 25 5.734 -4.193 -3.799 1.00 0.00 C ATOM 333 CG1 VAL A 25 6.238 -5.604 -4.062 1.00 0.00 C ATOM 334 CG2 VAL A 25 5.889 -3.324 -5.038 1.00 0.00 C ATOM 0 H VAL A 25 4.947 -5.425 -1.767 1.00 0.00 H new ATOM 0 HA VAL A 25 3.975 -3.223 -3.012 1.00 0.00 H new ATOM 0 HB VAL A 25 6.337 -3.760 -3.001 1.00 0.00 H new ATOM 0 HG11 VAL A 25 7.278 -5.564 -4.385 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.164 -6.193 -3.148 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.634 -6.067 -4.842 1.00 0.00 H new ATOM 0 HG21 VAL A 25 6.934 -3.315 -5.348 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.275 -3.726 -5.844 1.00 0.00 H new ATOM 0 HG23 VAL A 25 5.569 -2.307 -4.811 1.00 0.00 H new ATOM 344 N MET A 26 3.232 -5.948 -4.695 1.00 0.00 N ATOM 345 CA MET A 26 2.415 -6.478 -5.780 1.00 0.00 C ATOM 346 C MET A 26 0.956 -6.067 -5.613 1.00 0.00 C ATOM 347 O MET A 26 0.266 -5.780 -6.592 1.00 0.00 O ATOM 348 CB MET A 26 2.524 -8.004 -5.830 1.00 0.00 C ATOM 349 CG MET A 26 3.942 -8.504 -6.053 1.00 0.00 C ATOM 350 SD MET A 26 4.356 -8.662 -7.800 1.00 0.00 S ATOM 351 CE MET A 26 6.014 -7.983 -7.818 1.00 0.00 C ATOM 0 H MET A 26 3.663 -6.660 -4.105 1.00 0.00 H new ATOM 0 HA MET A 26 2.786 -6.063 -6.717 1.00 0.00 H new ATOM 0 HB2 MET A 26 2.144 -8.418 -4.896 1.00 0.00 H new ATOM 0 HB3 MET A 26 1.885 -8.380 -6.629 1.00 0.00 H new ATOM 0 HG2 MET A 26 4.644 -7.818 -5.578 1.00 0.00 H new ATOM 0 HG3 MET A 26 4.063 -9.472 -5.566 1.00 0.00 H new ATOM 0 HE1 MET A 26 6.408 -8.012 -8.834 1.00 0.00 H new ATOM 0 HE2 MET A 26 5.988 -6.951 -7.468 1.00 0.00 H new ATOM 0 HE3 MET A 26 6.656 -8.572 -7.163 1.00 0.00 H new ATOM 361 N ASP A 27 0.492 -6.040 -4.368 1.00 0.00 N ATOM 362 CA ASP A 27 -0.885 -5.662 -4.074 1.00 0.00 C ATOM 363 C ASP A 27 -0.973 -4.191 -3.680 1.00 0.00 C ATOM 364 O ASP A 27 0.039 -3.555 -3.388 1.00 0.00 O ATOM 365 CB ASP A 27 -1.448 -6.537 -2.952 1.00 0.00 C ATOM 366 CG ASP A 27 -1.094 -8.001 -3.128 1.00 0.00 C ATOM 367 OD1 ASP A 27 -0.021 -8.415 -2.640 1.00 0.00 O ATOM 368 OD2 ASP A 27 -1.891 -8.733 -3.752 1.00 0.00 O ATOM 0 H ASP A 27 1.049 -6.275 -3.547 1.00 0.00 H new ATOM 0 HA ASP A 27 -1.478 -5.814 -4.976 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.065 -6.186 -1.994 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.532 -6.429 -2.920 1.00 0.00 H new ATOM 373 N ALA A 28 -2.190 -3.656 -3.676 1.00 0.00 N ATOM 374 CA ALA A 28 -2.410 -2.260 -3.317 1.00 0.00 C ATOM 375 C ALA A 28 -2.143 -2.026 -1.835 1.00 0.00 C ATOM 376 O ALA A 28 -2.336 -2.919 -1.009 1.00 0.00 O ATOM 377 CB ALA A 28 -3.829 -1.842 -3.673 1.00 0.00 C ATOM 0 H ALA A 28 -3.038 -4.168 -3.917 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.709 -1.649 -3.886 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.980 -0.798 -3.400 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.986 -1.963 -4.745 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -4.539 -2.465 -3.130 1.00 0.00 H new ATOM 383 N CYS A 29 -1.696 -0.819 -1.502 1.00 0.00 N ATOM 384 CA CYS A 29 -1.401 -0.467 -0.119 1.00 0.00 C ATOM 385 C CYS A 29 -2.687 -0.281 0.681 1.00 0.00 C ATOM 386 O CYS A 29 -3.780 -0.226 0.117 1.00 0.00 O ATOM 387 CB CYS A 29 -0.563 0.812 -0.064 1.00 0.00 C ATOM 388 SG CYS A 29 -1.385 2.270 -0.784 1.00 0.00 S ATOM 0 H CYS A 29 -1.530 -0.068 -2.172 1.00 0.00 H new ATOM 0 HA CYS A 29 -0.833 -1.285 0.325 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -0.313 1.025 0.975 1.00 0.00 H new ATOM 0 HB3 CYS A 29 0.377 0.641 -0.590 1.00 0.00 H new ATOM 0 HG CYS A 29 -0.630 2.780 -1.711 1.00 0.00 H new ATOM 393 N LEU A 30 -2.548 -0.183 1.999 1.00 0.00 N ATOM 394 CA LEU A 30 -3.698 -0.002 2.878 1.00 0.00 C ATOM 395 C LEU A 30 -4.426 1.300 2.562 1.00 0.00 C ATOM 396 O LEU A 30 -5.568 1.500 2.975 1.00 0.00 O ATOM 397 CB LEU A 30 -3.252 -0.009 4.341 1.00 0.00 C ATOM 398 CG LEU A 30 -3.154 -1.381 5.008 1.00 0.00 C ATOM 399 CD1 LEU A 30 -2.596 -1.253 6.416 1.00 0.00 C ATOM 400 CD2 LEU A 30 -4.516 -2.061 5.031 1.00 0.00 C ATOM 0 H LEU A 30 -1.651 -0.226 2.482 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.386 -0.830 2.710 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.277 0.474 4.405 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.948 0.602 4.915 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.471 -1.999 4.425 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.534 -2.240 6.874 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.601 -0.809 6.374 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.252 -0.618 7.011 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.428 -3.036 5.509 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.221 -1.445 5.590 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.876 -2.189 4.010 1.00 0.00 H new ATOM 412 N ARG A 31 -3.758 2.181 1.825 1.00 0.00 N ATOM 413 CA ARG A 31 -4.341 3.464 1.452 1.00 0.00 C ATOM 414 C ARG A 31 -5.154 3.339 0.167 1.00 0.00 C ATOM 415 O ARG A 31 -6.150 4.038 -0.021 1.00 0.00 O ATOM 416 CB ARG A 31 -3.244 4.515 1.273 1.00 0.00 C ATOM 417 CG ARG A 31 -2.388 4.719 2.513 1.00 0.00 C ATOM 418 CD ARG A 31 -3.223 5.179 3.697 1.00 0.00 C ATOM 419 NE ARG A 31 -2.396 5.722 4.772 1.00 0.00 N ATOM 420 CZ ARG A 31 -1.809 4.971 5.697 1.00 0.00 C ATOM 421 NH1 ARG A 31 -1.956 3.654 5.679 1.00 0.00 N ATOM 422 NH2 ARG A 31 -1.071 5.539 6.643 1.00 0.00 N ATOM 0 H ARG A 31 -2.812 2.030 1.474 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.008 3.778 2.255 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.602 4.220 0.443 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.704 5.465 0.999 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.881 3.787 2.764 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.613 5.457 2.304 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.933 5.938 3.367 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.806 4.340 4.077 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.262 6.732 4.814 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.521 3.214 4.953 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -1.504 3.081 6.391 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.955 6.552 6.660 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -0.620 4.962 7.353 1.00 0.00 H new ATOM 436 N CYS A 32 -4.723 2.443 -0.715 1.00 0.00 N ATOM 437 CA CYS A 32 -5.409 2.226 -1.983 1.00 0.00 C ATOM 438 C CYS A 32 -6.455 1.123 -1.853 1.00 0.00 C ATOM 439 O CYS A 32 -7.428 1.086 -2.606 1.00 0.00 O ATOM 440 CB CYS A 32 -4.401 1.863 -3.076 1.00 0.00 C ATOM 441 SG CYS A 32 -3.359 3.254 -3.619 1.00 0.00 S ATOM 0 H CYS A 32 -3.901 1.855 -0.575 1.00 0.00 H new ATOM 0 HA CYS A 32 -5.915 3.152 -2.258 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -3.758 1.062 -2.711 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -4.941 1.470 -3.937 1.00 0.00 H new ATOM 0 HG CYS A 32 -2.207 2.803 -4.018 1.00 0.00 H new ATOM 446 N GLN A 33 -6.247 0.227 -0.894 1.00 0.00 N ATOM 447 CA GLN A 33 -7.172 -0.876 -0.666 1.00 0.00 C ATOM 448 C GLN A 33 -8.443 -0.389 0.022 1.00 0.00 C ATOM 449 O GLN A 33 -9.504 -0.998 -0.107 1.00 0.00 O ATOM 450 CB GLN A 33 -6.505 -1.962 0.180 1.00 0.00 C ATOM 451 CG GLN A 33 -5.446 -2.753 -0.571 1.00 0.00 C ATOM 452 CD GLN A 33 -5.147 -4.091 0.078 1.00 0.00 C ATOM 453 OE1 GLN A 33 -6.015 -4.960 0.164 1.00 0.00 O ATOM 454 NE2 GLN A 33 -3.913 -4.263 0.538 1.00 0.00 N ATOM 0 H GLN A 33 -5.446 0.243 -0.263 1.00 0.00 H new ATOM 0 HA GLN A 33 -7.443 -1.295 -1.635 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -6.049 -1.500 1.056 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -7.270 -2.648 0.544 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -5.779 -2.917 -1.596 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -4.529 -2.166 -0.624 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -3.225 -3.515 0.445 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -3.653 -5.143 0.984 1.00 0.00 H new ATOM 463 N ALA A 34 -8.327 0.715 0.755 1.00 0.00 N ATOM 464 CA ALA A 34 -9.467 1.285 1.462 1.00 0.00 C ATOM 465 C ALA A 34 -10.162 2.347 0.617 1.00 0.00 C ATOM 466 O ALA A 34 -11.388 2.445 0.612 1.00 0.00 O ATOM 467 CB ALA A 34 -9.022 1.874 2.792 1.00 0.00 C ATOM 0 H ALA A 34 -7.455 1.231 0.874 1.00 0.00 H new ATOM 0 HA ALA A 34 -10.182 0.485 1.653 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -9.883 2.296 3.309 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -8.578 1.091 3.406 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -8.285 2.658 2.615 1.00 0.00 H new ATOM 473 N GLU A 35 -9.369 3.142 -0.096 1.00 0.00 N ATOM 474 CA GLU A 35 -9.909 4.198 -0.944 1.00 0.00 C ATOM 475 C GLU A 35 -10.226 3.668 -2.339 1.00 0.00 C ATOM 476 O GLU A 35 -10.702 4.404 -3.201 1.00 0.00 O ATOM 477 CB GLU A 35 -8.920 5.361 -1.040 1.00 0.00 C ATOM 478 CG GLU A 35 -8.778 6.148 0.252 1.00 0.00 C ATOM 479 CD GLU A 35 -7.972 7.420 0.074 1.00 0.00 C ATOM 480 OE1 GLU A 35 -8.516 8.393 -0.488 1.00 0.00 O ATOM 481 OE2 GLU A 35 -6.797 7.442 0.497 1.00 0.00 O ATOM 0 H GLU A 35 -8.351 3.074 -0.103 1.00 0.00 H new ATOM 0 HA GLU A 35 -10.834 4.554 -0.492 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.943 4.973 -1.328 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.242 6.036 -1.833 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.769 6.400 0.630 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.299 5.521 1.004 1.00 0.00 H new ATOM 488 N ASN A 36 -9.955 2.384 -2.553 1.00 0.00 N ATOM 489 CA ASN A 36 -10.210 1.754 -3.844 1.00 0.00 C ATOM 490 C ASN A 36 -9.395 2.424 -4.946 1.00 0.00 C ATOM 491 O ASN A 36 -9.903 2.689 -6.036 1.00 0.00 O ATOM 492 CB ASN A 36 -11.700 1.822 -4.183 1.00 0.00 C ATOM 493 CG ASN A 36 -12.562 1.142 -3.137 1.00 0.00 C ATOM 494 OD1 ASN A 36 -12.554 -0.082 -3.010 1.00 0.00 O ATOM 495 ND2 ASN A 36 -13.313 1.937 -2.382 1.00 0.00 N ATOM 0 H ASN A 36 -9.559 1.760 -1.850 1.00 0.00 H new ATOM 0 HA ASN A 36 -9.907 0.709 -3.777 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -12.001 2.865 -4.276 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -11.871 1.353 -5.152 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -13.915 1.537 -1.662 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -13.288 2.947 -2.523 1.00 0.00 H new ATOM 502 N LYS A 37 -8.127 2.696 -4.655 1.00 0.00 N ATOM 503 CA LYS A 37 -7.240 3.333 -5.621 1.00 0.00 C ATOM 504 C LYS A 37 -6.252 2.325 -6.200 1.00 0.00 C ATOM 505 O LYS A 37 -5.228 2.703 -6.767 1.00 0.00 O ATOM 506 CB LYS A 37 -6.479 4.487 -4.962 1.00 0.00 C ATOM 507 CG LYS A 37 -7.381 5.484 -4.255 1.00 0.00 C ATOM 508 CD LYS A 37 -6.595 6.369 -3.302 1.00 0.00 C ATOM 509 CE LYS A 37 -5.652 7.296 -4.052 1.00 0.00 C ATOM 510 NZ LYS A 37 -6.389 8.360 -4.789 1.00 0.00 N ATOM 0 H LYS A 37 -7.691 2.485 -3.757 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.851 3.725 -6.434 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.768 4.079 -4.243 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.899 5.010 -5.722 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -7.889 6.104 -4.994 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -8.154 4.949 -3.703 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -7.285 6.960 -2.700 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.024 5.747 -2.613 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -4.959 7.756 -3.348 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -5.054 6.715 -4.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.716 9.075 -5.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.888 7.939 -5.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.078 8.809 -4.153 1.00 0.00 H new ATOM 524 N GLN A 38 -6.569 1.043 -6.055 1.00 0.00 N ATOM 525 CA GLN A 38 -5.709 -0.019 -6.565 1.00 0.00 C ATOM 526 C GLN A 38 -5.346 0.230 -8.026 1.00 0.00 C ATOM 527 O GLN A 38 -4.170 0.248 -8.387 1.00 0.00 O ATOM 528 CB GLN A 38 -6.400 -1.376 -6.423 1.00 0.00 C ATOM 529 CG GLN A 38 -6.880 -1.670 -5.011 1.00 0.00 C ATOM 530 CD GLN A 38 -8.117 -2.545 -4.986 1.00 0.00 C ATOM 531 OE1 GLN A 38 -8.490 -3.144 -5.996 1.00 0.00 O ATOM 532 NE2 GLN A 38 -8.763 -2.625 -3.828 1.00 0.00 N ATOM 0 H GLN A 38 -7.415 0.714 -5.589 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.791 -0.024 -5.977 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -7.252 -1.414 -7.102 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -5.710 -2.160 -6.734 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -6.081 -2.160 -4.455 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -7.094 -0.731 -4.501 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -8.419 -2.112 -3.016 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -9.602 -3.199 -3.751 1.00 0.00 H new ATOM 541 N GLU A 39 -6.364 0.421 -8.859 1.00 0.00 N ATOM 542 CA GLU A 39 -6.150 0.667 -10.280 1.00 0.00 C ATOM 543 C GLU A 39 -4.914 1.535 -10.503 1.00 0.00 C ATOM 544 O GLU A 39 -4.204 1.379 -11.496 1.00 0.00 O ATOM 545 CB GLU A 39 -7.378 1.344 -10.894 1.00 0.00 C ATOM 546 CG GLU A 39 -7.706 2.690 -10.271 1.00 0.00 C ATOM 547 CD GLU A 39 -7.000 3.841 -10.963 1.00 0.00 C ATOM 548 OE1 GLU A 39 -5.987 3.589 -11.649 1.00 0.00 O ATOM 549 OE2 GLU A 39 -7.461 4.992 -10.817 1.00 0.00 O ATOM 0 H GLU A 39 -7.344 0.410 -8.575 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.991 -0.295 -10.768 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.212 1.479 -11.963 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -8.238 0.684 -10.786 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -8.783 2.852 -10.312 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.425 2.677 -9.218 1.00 0.00 H new ATOM 556 N ASP A 40 -4.664 2.447 -9.570 1.00 0.00 N ATOM 557 CA ASP A 40 -3.514 3.340 -9.663 1.00 0.00 C ATOM 558 C ASP A 40 -2.300 2.735 -8.965 1.00 0.00 C ATOM 559 O ASP A 40 -1.169 2.875 -9.432 1.00 0.00 O ATOM 560 CB ASP A 40 -3.846 4.700 -9.048 1.00 0.00 C ATOM 561 CG ASP A 40 -2.958 5.808 -9.579 1.00 0.00 C ATOM 562 OD1 ASP A 40 -1.776 5.863 -9.181 1.00 0.00 O ATOM 563 OD2 ASP A 40 -3.446 6.621 -10.392 1.00 0.00 O ATOM 0 H ASP A 40 -5.242 2.588 -8.741 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.275 3.476 -10.718 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.888 4.944 -9.254 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.740 4.641 -7.965 1.00 0.00 H new ATOM 568 N CYS A 41 -2.541 2.062 -7.845 1.00 0.00 N ATOM 569 CA CYS A 41 -1.468 1.437 -7.081 1.00 0.00 C ATOM 570 C CYS A 41 -0.750 0.381 -7.917 1.00 0.00 C ATOM 571 O CYS A 41 -1.177 -0.772 -7.981 1.00 0.00 O ATOM 572 CB CYS A 41 -2.025 0.802 -5.806 1.00 0.00 C ATOM 573 SG CYS A 41 -0.850 0.778 -4.413 1.00 0.00 S ATOM 0 H CYS A 41 -3.471 1.935 -7.446 1.00 0.00 H new ATOM 0 HA CYS A 41 -0.750 2.211 -6.809 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -2.920 1.345 -5.503 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -2.332 -0.220 -6.026 1.00 0.00 H new ATOM 0 HG CYS A 41 0.338 0.488 -4.853 1.00 0.00 H new ATOM 578 N VAL A 42 0.344 0.784 -8.556 1.00 0.00 N ATOM 579 CA VAL A 42 1.123 -0.127 -9.386 1.00 0.00 C ATOM 580 C VAL A 42 2.465 -0.448 -8.739 1.00 0.00 C ATOM 581 O VAL A 42 2.786 0.058 -7.664 1.00 0.00 O ATOM 582 CB VAL A 42 1.369 0.463 -10.788 1.00 0.00 C ATOM 583 CG1 VAL A 42 0.051 0.671 -11.519 1.00 0.00 C ATOM 584 CG2 VAL A 42 2.144 1.768 -10.687 1.00 0.00 C ATOM 0 H VAL A 42 0.711 1.735 -8.515 1.00 0.00 H new ATOM 0 HA VAL A 42 0.541 -1.044 -9.483 1.00 0.00 H new ATOM 0 HB VAL A 42 1.967 -0.245 -11.362 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.245 1.088 -12.507 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.462 -0.285 -11.623 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.575 1.359 -10.951 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.309 2.171 -11.686 1.00 0.00 H new ATOM 0 HG22 VAL A 42 1.574 2.485 -10.096 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.105 1.584 -10.206 1.00 0.00 H new ATOM 594 N VAL A 43 3.248 -1.294 -9.402 1.00 0.00 N ATOM 595 CA VAL A 43 4.558 -1.683 -8.893 1.00 0.00 C ATOM 596 C VAL A 43 5.674 -0.961 -9.640 1.00 0.00 C ATOM 597 O VAL A 43 5.850 -1.146 -10.844 1.00 0.00 O ATOM 598 CB VAL A 43 4.776 -3.203 -9.008 1.00 0.00 C ATOM 599 CG1 VAL A 43 6.148 -3.587 -8.475 1.00 0.00 C ATOM 600 CG2 VAL A 43 3.679 -3.956 -8.272 1.00 0.00 C ATOM 0 H VAL A 43 2.998 -1.723 -10.293 1.00 0.00 H new ATOM 0 HA VAL A 43 4.587 -1.399 -7.841 1.00 0.00 H new ATOM 0 HB VAL A 43 4.731 -3.480 -10.061 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.284 -4.665 -8.564 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.919 -3.075 -9.051 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.225 -3.297 -7.427 1.00 0.00 H new ATOM 0 HG21 VAL A 43 3.849 -5.029 -8.364 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.689 -3.676 -7.219 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.711 -3.704 -8.705 1.00 0.00 H new ATOM 610 N VAL A 44 6.427 -0.138 -8.917 1.00 0.00 N ATOM 611 CA VAL A 44 7.528 0.610 -9.510 1.00 0.00 C ATOM 612 C VAL A 44 8.875 0.051 -9.066 1.00 0.00 C ATOM 613 O VAL A 44 9.240 0.140 -7.894 1.00 0.00 O ATOM 614 CB VAL A 44 7.457 2.103 -9.138 1.00 0.00 C ATOM 615 CG1 VAL A 44 7.249 2.271 -7.640 1.00 0.00 C ATOM 616 CG2 VAL A 44 8.716 2.826 -9.594 1.00 0.00 C ATOM 0 H VAL A 44 6.294 0.027 -7.919 1.00 0.00 H new ATOM 0 HA VAL A 44 7.434 0.507 -10.591 1.00 0.00 H new ATOM 0 HB VAL A 44 6.604 2.547 -9.651 1.00 0.00 H new ATOM 0 HG11 VAL A 44 7.201 3.332 -7.396 1.00 0.00 H new ATOM 0 HG12 VAL A 44 6.317 1.789 -7.346 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.080 1.812 -7.104 1.00 0.00 H new ATOM 0 HG21 VAL A 44 8.649 3.880 -9.323 1.00 0.00 H new ATOM 0 HG22 VAL A 44 9.586 2.382 -9.110 1.00 0.00 H new ATOM 0 HG23 VAL A 44 8.816 2.735 -10.676 1.00 0.00 H new ATOM 626 N TRP A 45 9.610 -0.526 -10.011 1.00 0.00 N ATOM 627 CA TRP A 45 10.918 -1.100 -9.717 1.00 0.00 C ATOM 628 C TRP A 45 12.005 -0.032 -9.767 1.00 0.00 C ATOM 629 O TRP A 45 11.930 0.907 -10.559 1.00 0.00 O ATOM 630 CB TRP A 45 11.240 -2.220 -10.707 1.00 0.00 C ATOM 631 CG TRP A 45 10.329 -3.404 -10.581 1.00 0.00 C ATOM 632 CD1 TRP A 45 10.543 -4.527 -9.834 1.00 0.00 C ATOM 633 CD2 TRP A 45 9.063 -3.583 -11.224 1.00 0.00 C ATOM 634 NE1 TRP A 45 9.485 -5.392 -9.973 1.00 0.00 N ATOM 635 CE2 TRP A 45 8.563 -4.836 -10.820 1.00 0.00 C ATOM 636 CE3 TRP A 45 8.300 -2.805 -12.100 1.00 0.00 C ATOM 637 CZ2 TRP A 45 7.338 -5.328 -11.263 1.00 0.00 C ATOM 638 CZ3 TRP A 45 7.085 -3.294 -12.539 1.00 0.00 C ATOM 639 CH2 TRP A 45 6.613 -4.545 -12.120 1.00 0.00 C ATOM 0 H TRP A 45 9.322 -0.608 -10.986 1.00 0.00 H new ATOM 0 HA TRP A 45 10.888 -1.513 -8.709 1.00 0.00 H new ATOM 0 HB2 TRP A 45 11.176 -1.828 -11.722 1.00 0.00 H new ATOM 0 HB3 TRP A 45 12.269 -2.545 -10.555 1.00 0.00 H new ATOM 0 HD1 TRP A 45 11.415 -4.708 -9.224 1.00 0.00 H new ATOM 0 HE1 TRP A 45 9.400 -6.301 -9.519 1.00 0.00 H new ATOM 0 HE3 TRP A 45 8.654 -1.839 -12.428 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 6.973 -6.293 -10.942 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 6.488 -2.702 -13.217 1.00 0.00 H new ATOM 0 HH2 TRP A 45 5.658 -4.898 -12.480 1.00 0.00 H new ATOM 650 N GLY A 46 13.017 -0.182 -8.917 1.00 0.00 N ATOM 651 CA GLY A 46 14.105 0.778 -8.882 1.00 0.00 C ATOM 652 C GLY A 46 15.411 0.191 -9.380 1.00 0.00 C ATOM 653 O GLY A 46 15.520 -1.018 -9.579 1.00 0.00 O ATOM 0 H GLY A 46 13.103 -0.951 -8.252 1.00 0.00 H new ATOM 0 HA2 GLY A 46 13.843 1.643 -9.492 1.00 0.00 H new ATOM 0 HA3 GLY A 46 14.237 1.136 -7.861 1.00 0.00 H new ATOM 657 N GLU A 47 16.405 1.051 -9.583 1.00 0.00 N ATOM 658 CA GLU A 47 17.709 0.610 -10.063 1.00 0.00 C ATOM 659 C GLU A 47 18.369 -0.331 -9.059 1.00 0.00 C ATOM 660 O GLU A 47 19.188 -1.174 -9.426 1.00 0.00 O ATOM 661 CB GLU A 47 18.616 1.815 -10.321 1.00 0.00 C ATOM 662 CG GLU A 47 18.534 2.345 -11.743 1.00 0.00 C ATOM 663 CD GLU A 47 19.785 3.092 -12.161 1.00 0.00 C ATOM 664 OE1 GLU A 47 19.946 4.259 -11.747 1.00 0.00 O ATOM 665 OE2 GLU A 47 20.604 2.508 -12.901 1.00 0.00 O ATOM 0 H GLU A 47 16.332 2.056 -9.423 1.00 0.00 H new ATOM 0 HA GLU A 47 17.560 0.069 -10.998 1.00 0.00 H new ATOM 0 HB2 GLU A 47 18.350 2.614 -9.629 1.00 0.00 H new ATOM 0 HB3 GLU A 47 19.647 1.536 -10.105 1.00 0.00 H new ATOM 0 HG2 GLU A 47 18.366 1.513 -12.427 1.00 0.00 H new ATOM 0 HG3 GLU A 47 17.673 3.008 -11.830 1.00 0.00 H new ATOM 672 N CYS A 48 18.006 -0.180 -7.789 1.00 0.00 N ATOM 673 CA CYS A 48 18.562 -1.015 -6.731 1.00 0.00 C ATOM 674 C CYS A 48 17.841 -2.358 -6.661 1.00 0.00 C ATOM 675 O CYS A 48 18.025 -3.124 -5.716 1.00 0.00 O ATOM 676 CB CYS A 48 18.461 -0.298 -5.383 1.00 0.00 C ATOM 677 SG CYS A 48 16.771 0.216 -4.939 1.00 0.00 S ATOM 0 H CYS A 48 17.330 0.513 -7.468 1.00 0.00 H new ATOM 0 HA CYS A 48 19.612 -1.199 -6.961 1.00 0.00 H new ATOM 0 HB2 CYS A 48 18.846 -0.956 -4.604 1.00 0.00 H new ATOM 0 HB3 CYS A 48 19.104 0.582 -5.403 1.00 0.00 H new ATOM 0 HG CYS A 48 16.722 0.498 -3.671 1.00 0.00 H new ATOM 682 N ASN A 49 17.020 -2.635 -7.669 1.00 0.00 N ATOM 683 CA ASN A 49 16.271 -3.885 -7.722 1.00 0.00 C ATOM 684 C ASN A 49 15.280 -3.975 -6.565 1.00 0.00 C ATOM 685 O ASN A 49 15.130 -5.027 -5.943 1.00 0.00 O ATOM 686 CB ASN A 49 17.227 -5.079 -7.684 1.00 0.00 C ATOM 687 CG ASN A 49 17.663 -5.516 -9.069 1.00 0.00 C ATOM 688 OD1 ASN A 49 16.853 -5.584 -9.994 1.00 0.00 O ATOM 689 ND2 ASN A 49 18.948 -5.814 -9.218 1.00 0.00 N ATOM 0 H ASN A 49 16.857 -2.011 -8.459 1.00 0.00 H new ATOM 0 HA ASN A 49 15.712 -3.905 -8.658 1.00 0.00 H new ATOM 0 HB2 ASN A 49 18.106 -4.818 -7.095 1.00 0.00 H new ATOM 0 HB3 ASN A 49 16.741 -5.914 -7.179 1.00 0.00 H new ATOM 0 HD21 ASN A 49 19.300 -6.114 -10.127 1.00 0.00 H new ATOM 0 HD22 ASN A 49 19.583 -5.743 -8.423 1.00 0.00 H new ATOM 696 N HIS A 50 14.606 -2.865 -6.283 1.00 0.00 N ATOM 697 CA HIS A 50 13.628 -2.819 -5.202 1.00 0.00 C ATOM 698 C HIS A 50 12.301 -2.249 -5.693 1.00 0.00 C ATOM 699 O HIS A 50 12.234 -1.105 -6.143 1.00 0.00 O ATOM 700 CB HIS A 50 14.159 -1.977 -4.041 1.00 0.00 C ATOM 701 CG HIS A 50 15.223 -2.663 -3.241 1.00 0.00 C ATOM 702 ND1 HIS A 50 16.053 -1.997 -2.364 1.00 0.00 N ATOM 703 CD2 HIS A 50 15.590 -3.965 -3.188 1.00 0.00 C ATOM 704 CE1 HIS A 50 16.885 -2.859 -1.807 1.00 0.00 C ATOM 705 NE2 HIS A 50 16.624 -4.061 -2.290 1.00 0.00 N ATOM 0 H HIS A 50 14.719 -1.986 -6.788 1.00 0.00 H new ATOM 0 HA HIS A 50 13.459 -3.838 -4.855 1.00 0.00 H new ATOM 0 HB2 HIS A 50 14.558 -1.042 -4.434 1.00 0.00 H new ATOM 0 HB3 HIS A 50 13.330 -1.718 -3.382 1.00 0.00 H new ATOM 0 HD1 HIS A 50 16.028 -0.995 -2.175 1.00 0.00 H new ATOM 0 HD2 HIS A 50 15.151 -4.777 -3.748 1.00 0.00 H new ATOM 0 HE1 HIS A 50 17.648 -2.622 -1.081 1.00 0.00 H new ATOM 713 N SER A 51 11.247 -3.054 -5.604 1.00 0.00 N ATOM 714 CA SER A 51 9.923 -2.632 -6.045 1.00 0.00 C ATOM 715 C SER A 51 9.179 -1.917 -4.921 1.00 0.00 C ATOM 716 O SER A 51 9.282 -2.295 -3.753 1.00 0.00 O ATOM 717 CB SER A 51 9.112 -3.838 -6.521 1.00 0.00 C ATOM 718 OG SER A 51 9.209 -4.913 -5.603 1.00 0.00 O ATOM 0 H SER A 51 11.284 -4.002 -5.230 1.00 0.00 H new ATOM 0 HA SER A 51 10.048 -1.937 -6.875 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.067 -3.552 -6.642 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.470 -4.158 -7.499 1.00 0.00 H new ATOM 0 HG SER A 51 8.817 -5.719 -6.000 1.00 0.00 H new ATOM 724 N PHE A 52 8.430 -0.880 -5.281 1.00 0.00 N ATOM 725 CA PHE A 52 7.669 -0.110 -4.304 1.00 0.00 C ATOM 726 C PHE A 52 6.306 0.284 -4.864 1.00 0.00 C ATOM 727 O PHE A 52 5.955 -0.079 -5.988 1.00 0.00 O ATOM 728 CB PHE A 52 8.446 1.143 -3.894 1.00 0.00 C ATOM 729 CG PHE A 52 9.683 0.847 -3.095 1.00 0.00 C ATOM 730 CD1 PHE A 52 9.624 0.747 -1.714 1.00 0.00 C ATOM 731 CD2 PHE A 52 10.904 0.669 -3.724 1.00 0.00 C ATOM 732 CE1 PHE A 52 10.760 0.476 -0.976 1.00 0.00 C ATOM 733 CE2 PHE A 52 12.044 0.397 -2.991 1.00 0.00 C ATOM 734 CZ PHE A 52 11.972 0.299 -1.616 1.00 0.00 C ATOM 0 H PHE A 52 8.334 -0.553 -6.242 1.00 0.00 H new ATOM 0 HA PHE A 52 7.514 -0.737 -3.426 1.00 0.00 H new ATOM 0 HB2 PHE A 52 8.726 1.697 -4.790 1.00 0.00 H new ATOM 0 HB3 PHE A 52 7.792 1.791 -3.310 1.00 0.00 H new ATOM 0 HD1 PHE A 52 8.679 0.882 -1.209 1.00 0.00 H new ATOM 0 HD2 PHE A 52 10.966 0.744 -4.800 1.00 0.00 H new ATOM 0 HE1 PHE A 52 10.701 0.403 0.100 1.00 0.00 H new ATOM 0 HE2 PHE A 52 12.990 0.261 -3.494 1.00 0.00 H new ATOM 0 HZ PHE A 52 12.861 0.084 -1.042 1.00 0.00 H new ATOM 744 N HIS A 53 5.540 1.028 -4.073 1.00 0.00 N ATOM 745 CA HIS A 53 4.214 1.472 -4.489 1.00 0.00 C ATOM 746 C HIS A 53 4.276 2.868 -5.101 1.00 0.00 C ATOM 747 O HIS A 53 4.460 3.858 -4.395 1.00 0.00 O ATOM 748 CB HIS A 53 3.254 1.466 -3.299 1.00 0.00 C ATOM 749 CG HIS A 53 2.819 0.093 -2.888 1.00 0.00 C ATOM 750 ND1 HIS A 53 2.868 -0.353 -1.584 1.00 0.00 N ATOM 751 CD2 HIS A 53 2.321 -0.933 -3.617 1.00 0.00 C ATOM 752 CE1 HIS A 53 2.422 -1.596 -1.530 1.00 0.00 C ATOM 753 NE2 HIS A 53 2.083 -1.971 -2.750 1.00 0.00 N ATOM 0 H HIS A 53 5.814 1.336 -3.140 1.00 0.00 H new ATOM 0 HA HIS A 53 3.847 0.779 -5.246 1.00 0.00 H new ATOM 0 HB2 HIS A 53 3.735 1.955 -2.452 1.00 0.00 H new ATOM 0 HB3 HIS A 53 2.373 2.057 -3.550 1.00 0.00 H new ATOM 0 HD1 HIS A 53 3.197 0.191 -0.786 1.00 0.00 H new ATOM 0 HD2 HIS A 53 2.144 -0.935 -4.682 1.00 0.00 H new ATOM 0 HE1 HIS A 53 2.347 -2.202 -0.639 1.00 0.00 H new ATOM 0 HE2 HIS A 53 1.706 -2.883 -3.007 1.00 0.00 H new ATOM 761 N ASN A 54 4.121 2.939 -6.419 1.00 0.00 N ATOM 762 CA ASN A 54 4.161 4.213 -7.126 1.00 0.00 C ATOM 763 C ASN A 54 3.561 5.327 -6.273 1.00 0.00 C ATOM 764 O ASN A 54 4.043 6.461 -6.284 1.00 0.00 O ATOM 765 CB ASN A 54 3.405 4.108 -8.453 1.00 0.00 C ATOM 766 CG ASN A 54 1.932 4.440 -8.307 1.00 0.00 C ATOM 767 OD1 ASN A 54 1.207 3.602 -7.576 1.00 0.00 O flip ATOM 768 ND2 ASN A 54 1.453 5.439 -8.845 1.00 0.00 N flip ATOM 0 H ASN A 54 3.966 2.129 -7.019 1.00 0.00 H new ATOM 0 HA ASN A 54 5.204 4.456 -7.328 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.857 4.783 -9.180 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.510 3.098 -8.849 1.00 0.00 H new ATOM 0 HD21 ASN A 54 2.048 6.055 -9.398 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.461 5.650 -8.737 1.00 0.00 H new ATOM 775 N CYS A 55 2.507 4.997 -5.535 1.00 0.00 N ATOM 776 CA CYS A 55 1.841 5.968 -4.675 1.00 0.00 C ATOM 777 C CYS A 55 2.692 6.283 -3.448 1.00 0.00 C ATOM 778 O CYS A 55 2.901 7.447 -3.106 1.00 0.00 O ATOM 779 CB CYS A 55 0.473 5.440 -4.238 1.00 0.00 C ATOM 780 SG CYS A 55 0.541 3.867 -3.323 1.00 0.00 S ATOM 0 H CYS A 55 2.095 4.064 -5.515 1.00 0.00 H new ATOM 0 HA CYS A 55 1.704 6.887 -5.246 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -0.012 6.191 -3.614 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -0.152 5.308 -5.121 1.00 0.00 H new ATOM 0 HG CYS A 55 -0.066 2.942 -4.005 1.00 0.00 H new ATOM 785 N CYS A 56 3.181 5.237 -2.790 1.00 0.00 N ATOM 786 CA CYS A 56 4.009 5.400 -1.601 1.00 0.00 C ATOM 787 C CYS A 56 5.347 6.042 -1.954 1.00 0.00 C ATOM 788 O CYS A 56 5.687 7.111 -1.447 1.00 0.00 O ATOM 789 CB CYS A 56 4.242 4.046 -0.927 1.00 0.00 C ATOM 790 SG CYS A 56 2.713 3.186 -0.438 1.00 0.00 S ATOM 0 H CYS A 56 3.018 4.267 -3.060 1.00 0.00 H new ATOM 0 HA CYS A 56 3.482 6.057 -0.909 1.00 0.00 H new ATOM 0 HB2 CYS A 56 4.805 3.406 -1.607 1.00 0.00 H new ATOM 0 HB3 CYS A 56 4.862 4.194 -0.043 1.00 0.00 H new ATOM 0 HG CYS A 56 1.817 3.331 -1.368 1.00 0.00 H new ATOM 795 N MET A 57 6.101 5.383 -2.828 1.00 0.00 N ATOM 796 CA MET A 57 7.402 5.890 -3.250 1.00 0.00 C ATOM 797 C MET A 57 7.353 7.400 -3.463 1.00 0.00 C ATOM 798 O MET A 57 8.285 8.118 -3.100 1.00 0.00 O ATOM 799 CB MET A 57 7.851 5.195 -4.537 1.00 0.00 C ATOM 800 CG MET A 57 9.356 5.008 -4.633 1.00 0.00 C ATOM 801 SD MET A 57 10.272 6.490 -4.168 1.00 0.00 S ATOM 802 CE MET A 57 11.394 5.823 -2.942 1.00 0.00 C ATOM 0 H MET A 57 5.834 4.497 -3.258 1.00 0.00 H new ATOM 0 HA MET A 57 8.122 5.675 -2.460 1.00 0.00 H new ATOM 0 HB2 MET A 57 7.367 4.220 -4.602 1.00 0.00 H new ATOM 0 HB3 MET A 57 7.510 5.778 -5.393 1.00 0.00 H new ATOM 0 HG2 MET A 57 9.657 4.182 -3.988 1.00 0.00 H new ATOM 0 HG3 MET A 57 9.619 4.728 -5.653 1.00 0.00 H new ATOM 0 HE1 MET A 57 12.184 6.546 -2.740 1.00 0.00 H new ATOM 0 HE2 MET A 57 10.847 5.617 -2.022 1.00 0.00 H new ATOM 0 HE3 MET A 57 11.834 4.899 -3.316 1.00 0.00 H new ATOM 812 N SER A 58 6.262 7.874 -4.055 1.00 0.00 N ATOM 813 CA SER A 58 6.094 9.298 -4.321 1.00 0.00 C ATOM 814 C SER A 58 5.916 10.076 -3.020 1.00 0.00 C ATOM 815 O SER A 58 6.372 11.214 -2.896 1.00 0.00 O ATOM 816 CB SER A 58 4.891 9.530 -5.236 1.00 0.00 C ATOM 817 OG SER A 58 5.166 9.102 -6.559 1.00 0.00 O ATOM 0 H SER A 58 5.481 7.293 -4.360 1.00 0.00 H new ATOM 0 HA SER A 58 6.994 9.658 -4.819 1.00 0.00 H new ATOM 0 HB2 SER A 58 4.026 8.991 -4.849 1.00 0.00 H new ATOM 0 HB3 SER A 58 4.632 10.589 -5.239 1.00 0.00 H new ATOM 0 HG SER A 58 4.834 8.188 -6.683 1.00 0.00 H new ATOM 823 N LEU A 59 5.249 9.455 -2.054 1.00 0.00 N ATOM 824 CA LEU A 59 5.010 10.087 -0.761 1.00 0.00 C ATOM 825 C LEU A 59 6.246 9.995 0.128 1.00 0.00 C ATOM 826 O LEU A 59 6.465 10.844 0.992 1.00 0.00 O ATOM 827 CB LEU A 59 3.816 9.431 -0.064 1.00 0.00 C ATOM 828 CG LEU A 59 2.471 9.550 -0.782 1.00 0.00 C ATOM 829 CD1 LEU A 59 1.439 8.639 -0.136 1.00 0.00 C ATOM 830 CD2 LEU A 59 1.989 10.993 -0.776 1.00 0.00 C ATOM 0 H LEU A 59 4.864 8.515 -2.141 1.00 0.00 H new ATOM 0 HA LEU A 59 4.789 11.140 -0.935 1.00 0.00 H new ATOM 0 HB2 LEU A 59 4.038 8.373 0.075 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.715 9.869 0.929 1.00 0.00 H new ATOM 0 HG LEU A 59 2.605 9.237 -1.817 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.488 8.737 -0.660 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.780 7.605 -0.193 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.308 8.921 0.909 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.031 11.059 -1.291 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.872 11.333 0.253 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.719 11.622 -1.285 1.00 0.00 H new ATOM 842 N TRP A 60 7.050 8.961 -0.092 1.00 0.00 N ATOM 843 CA TRP A 60 8.266 8.760 0.689 1.00 0.00 C ATOM 844 C TRP A 60 9.335 9.775 0.301 1.00 0.00 C ATOM 845 O TRP A 60 9.993 10.358 1.163 1.00 0.00 O ATOM 846 CB TRP A 60 8.796 7.340 0.487 1.00 0.00 C ATOM 847 CG TRP A 60 10.185 7.143 1.016 1.00 0.00 C ATOM 848 CD1 TRP A 60 11.353 7.281 0.322 1.00 0.00 C ATOM 849 CD2 TRP A 60 10.549 6.772 2.350 1.00 0.00 C ATOM 850 NE1 TRP A 60 12.422 7.018 1.144 1.00 0.00 N ATOM 851 CE2 TRP A 60 11.956 6.704 2.393 1.00 0.00 C ATOM 852 CE3 TRP A 60 9.825 6.493 3.512 1.00 0.00 C ATOM 853 CZ2 TRP A 60 12.649 6.367 3.553 1.00 0.00 C ATOM 854 CZ3 TRP A 60 10.515 6.158 4.662 1.00 0.00 C ATOM 855 CH2 TRP A 60 11.914 6.099 4.676 1.00 0.00 C ATOM 0 H TRP A 60 6.883 8.250 -0.804 1.00 0.00 H new ATOM 0 HA TRP A 60 8.021 8.903 1.741 1.00 0.00 H new ATOM 0 HB2 TRP A 60 8.125 6.636 0.979 1.00 0.00 H new ATOM 0 HB3 TRP A 60 8.783 7.103 -0.577 1.00 0.00 H new ATOM 0 HD1 TRP A 60 11.426 7.556 -0.720 1.00 0.00 H new ATOM 0 HE1 TRP A 60 13.404 7.051 0.869 1.00 0.00 H new ATOM 0 HE3 TRP A 60 8.746 6.538 3.512 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 13.728 6.319 3.566 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 9.966 5.938 5.565 1.00 0.00 H new ATOM 0 HH2 TRP A 60 12.423 5.837 5.592 1.00 0.00 H new ATOM 866 N VAL A 61 9.504 9.982 -1.001 1.00 0.00 N ATOM 867 CA VAL A 61 10.494 10.929 -1.502 1.00 0.00 C ATOM 868 C VAL A 61 10.239 12.330 -0.958 1.00 0.00 C ATOM 869 O VAL A 61 11.133 13.177 -0.951 1.00 0.00 O ATOM 870 CB VAL A 61 10.493 10.979 -3.042 1.00 0.00 C ATOM 871 CG1 VAL A 61 10.978 9.659 -3.620 1.00 0.00 C ATOM 872 CG2 VAL A 61 9.104 11.321 -3.562 1.00 0.00 C ATOM 0 H VAL A 61 8.969 9.507 -1.728 1.00 0.00 H new ATOM 0 HA VAL A 61 11.468 10.581 -1.158 1.00 0.00 H new ATOM 0 HB VAL A 61 11.180 11.762 -3.364 1.00 0.00 H new ATOM 0 HG11 VAL A 61 10.970 9.714 -4.709 1.00 0.00 H new ATOM 0 HG12 VAL A 61 11.992 9.461 -3.274 1.00 0.00 H new ATOM 0 HG13 VAL A 61 10.319 8.855 -3.292 1.00 0.00 H new ATOM 0 HG21 VAL A 61 9.121 11.352 -4.651 1.00 0.00 H new ATOM 0 HG22 VAL A 61 8.395 10.562 -3.232 1.00 0.00 H new ATOM 0 HG23 VAL A 61 8.800 12.294 -3.176 1.00 0.00 H new ATOM 882 N LYS A 62 9.015 12.568 -0.501 1.00 0.00 N ATOM 883 CA LYS A 62 8.641 13.866 0.047 1.00 0.00 C ATOM 884 C LYS A 62 9.459 14.186 1.294 1.00 0.00 C ATOM 885 O LYS A 62 9.685 15.352 1.616 1.00 0.00 O ATOM 886 CB LYS A 62 7.148 13.889 0.384 1.00 0.00 C ATOM 887 CG LYS A 62 6.248 13.751 -0.831 1.00 0.00 C ATOM 888 CD LYS A 62 4.781 13.709 -0.437 1.00 0.00 C ATOM 889 CE LYS A 62 4.292 15.069 0.036 1.00 0.00 C ATOM 890 NZ LYS A 62 2.873 15.024 0.484 1.00 0.00 N ATOM 0 H LYS A 62 8.264 11.878 -0.499 1.00 0.00 H new ATOM 0 HA LYS A 62 8.849 14.625 -0.707 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.929 13.080 1.081 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.914 14.823 0.895 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.420 14.587 -1.509 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.506 12.842 -1.374 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.184 13.382 -1.288 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.637 12.974 0.355 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.921 15.416 0.856 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.395 15.793 -0.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.578 15.970 0.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.269 14.718 -0.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.779 14.352 1.272 1.00 0.00 H new ATOM 904 N GLN A 63 9.901 13.143 1.990 1.00 0.00 N ATOM 905 CA GLN A 63 10.696 13.315 3.201 1.00 0.00 C ATOM 906 C GLN A 63 12.104 12.760 3.011 1.00 0.00 C ATOM 907 O GLN A 63 13.082 13.358 3.457 1.00 0.00 O ATOM 908 CB GLN A 63 10.017 12.622 4.383 1.00 0.00 C ATOM 909 CG GLN A 63 8.618 13.143 4.673 1.00 0.00 C ATOM 910 CD GLN A 63 8.630 14.440 5.457 1.00 0.00 C ATOM 911 OE1 GLN A 63 9.381 15.363 5.141 1.00 0.00 O ATOM 912 NE2 GLN A 63 7.794 14.517 6.486 1.00 0.00 N ATOM 0 H GLN A 63 9.722 12.171 1.737 1.00 0.00 H new ATOM 0 HA GLN A 63 10.771 14.382 3.408 1.00 0.00 H new ATOM 0 HB2 GLN A 63 9.963 11.552 4.184 1.00 0.00 H new ATOM 0 HB3 GLN A 63 10.635 12.750 5.272 1.00 0.00 H new ATOM 0 HG2 GLN A 63 8.089 13.296 3.732 1.00 0.00 H new ATOM 0 HG3 GLN A 63 8.062 12.390 5.232 1.00 0.00 H new ATOM 0 HE21 GLN A 63 7.189 13.727 6.712 1.00 0.00 H new ATOM 0 HE22 GLN A 63 7.757 15.366 7.050 1.00 0.00 H new ATOM 921 N ASN A 64 12.198 11.613 2.347 1.00 0.00 N ATOM 922 CA ASN A 64 13.487 10.977 2.099 1.00 0.00 C ATOM 923 C ASN A 64 13.567 10.449 0.670 1.00 0.00 C ATOM 924 O ASN A 64 12.949 9.439 0.335 1.00 0.00 O ATOM 925 CB ASN A 64 13.715 9.835 3.091 1.00 0.00 C ATOM 926 CG ASN A 64 13.778 10.319 4.526 1.00 0.00 C ATOM 927 OD1 ASN A 64 14.577 11.193 4.864 1.00 0.00 O ATOM 928 ND2 ASN A 64 12.933 9.752 5.380 1.00 0.00 N ATOM 0 H ASN A 64 11.398 11.105 1.971 1.00 0.00 H new ATOM 0 HA ASN A 64 14.266 11.727 2.234 1.00 0.00 H new ATOM 0 HB2 ASN A 64 12.911 9.105 2.992 1.00 0.00 H new ATOM 0 HB3 ASN A 64 14.644 9.322 2.843 1.00 0.00 H new ATOM 0 HD21 ASN A 64 12.929 10.037 6.359 1.00 0.00 H new ATOM 0 HD22 ASN A 64 12.288 9.031 5.056 1.00 0.00 H new ATOM 935 N ASN A 65 14.334 11.138 -0.168 1.00 0.00 N ATOM 936 CA ASN A 65 14.496 10.739 -1.561 1.00 0.00 C ATOM 937 C ASN A 65 15.531 9.626 -1.691 1.00 0.00 C ATOM 938 O ASN A 65 16.397 9.669 -2.566 1.00 0.00 O ATOM 939 CB ASN A 65 14.912 11.940 -2.413 1.00 0.00 C ATOM 940 CG ASN A 65 14.830 11.650 -3.900 1.00 0.00 C ATOM 941 OD1 ASN A 65 13.963 10.902 -4.351 1.00 0.00 O ATOM 942 ND2 ASN A 65 15.735 12.244 -4.669 1.00 0.00 N ATOM 0 H ASN A 65 14.854 11.976 0.094 1.00 0.00 H new ATOM 0 HA ASN A 65 13.537 10.363 -1.919 1.00 0.00 H new ATOM 0 HB2 ASN A 65 14.272 12.790 -2.175 1.00 0.00 H new ATOM 0 HB3 ASN A 65 15.932 12.228 -2.157 1.00 0.00 H new ATOM 0 HD21 ASN A 65 15.729 12.088 -5.677 1.00 0.00 H new ATOM 0 HD22 ASN A 65 16.436 12.857 -4.252 1.00 0.00 H new ATOM 949 N ARG A 66 15.436 8.631 -0.816 1.00 0.00 N ATOM 950 CA ARG A 66 16.364 7.507 -0.832 1.00 0.00 C ATOM 951 C ARG A 66 15.657 6.212 -0.443 1.00 0.00 C ATOM 952 O ARG A 66 14.889 6.176 0.519 1.00 0.00 O ATOM 953 CB ARG A 66 17.532 7.769 0.120 1.00 0.00 C ATOM 954 CG ARG A 66 18.314 9.030 -0.207 1.00 0.00 C ATOM 955 CD ARG A 66 19.154 9.488 0.975 1.00 0.00 C ATOM 956 NE ARG A 66 19.439 10.919 0.922 1.00 0.00 N ATOM 957 CZ ARG A 66 18.607 11.851 1.375 1.00 0.00 C ATOM 958 NH1 ARG A 66 17.445 11.503 1.911 1.00 0.00 N ATOM 959 NH2 ARG A 66 18.936 13.134 1.292 1.00 0.00 N ATOM 0 H ARG A 66 14.725 8.580 -0.086 1.00 0.00 H new ATOM 0 HA ARG A 66 16.748 7.400 -1.846 1.00 0.00 H new ATOM 0 HB2 ARG A 66 17.150 7.843 1.138 1.00 0.00 H new ATOM 0 HB3 ARG A 66 18.209 6.915 0.094 1.00 0.00 H new ATOM 0 HG2 ARG A 66 18.961 8.846 -1.065 1.00 0.00 H new ATOM 0 HG3 ARG A 66 17.624 9.823 -0.493 1.00 0.00 H new ATOM 0 HD2 ARG A 66 18.631 9.257 1.903 1.00 0.00 H new ATOM 0 HD3 ARG A 66 20.091 8.932 0.991 1.00 0.00 H new ATOM 0 HE ARG A 66 20.325 11.220 0.515 1.00 0.00 H new ATOM 0 HH11 ARG A 66 17.188 10.518 1.976 1.00 0.00 H new ATOM 0 HH12 ARG A 66 16.808 12.220 2.258 1.00 0.00 H new ATOM 0 HH21 ARG A 66 19.829 13.406 0.880 1.00 0.00 H new ATOM 0 HH22 ARG A 66 18.296 13.848 1.640 1.00 0.00 H new ATOM 973 N CYS A 67 15.921 5.150 -1.197 1.00 0.00 N ATOM 974 CA CYS A 67 15.310 3.853 -0.933 1.00 0.00 C ATOM 975 C CYS A 67 15.385 3.509 0.552 1.00 0.00 C ATOM 976 O CYS A 67 16.461 3.452 1.148 1.00 0.00 O ATOM 977 CB CYS A 67 16.001 2.763 -1.755 1.00 0.00 C ATOM 978 SG CYS A 67 15.064 1.205 -1.860 1.00 0.00 S ATOM 0 H CYS A 67 16.555 5.162 -1.996 1.00 0.00 H new ATOM 0 HA CYS A 67 14.261 3.908 -1.224 1.00 0.00 H new ATOM 0 HB2 CYS A 67 16.175 3.139 -2.763 1.00 0.00 H new ATOM 0 HB3 CYS A 67 16.978 2.558 -1.318 1.00 0.00 H new ATOM 0 HG CYS A 67 13.797 1.468 -1.984 1.00 0.00 H new ATOM 983 N PRO A 68 14.215 3.273 1.164 1.00 0.00 N ATOM 984 CA PRO A 68 14.121 2.930 2.586 1.00 0.00 C ATOM 985 C PRO A 68 14.669 1.539 2.884 1.00 0.00 C ATOM 986 O PRO A 68 14.574 1.051 4.011 1.00 0.00 O ATOM 987 CB PRO A 68 12.617 2.984 2.865 1.00 0.00 C ATOM 988 CG PRO A 68 11.977 2.724 1.545 1.00 0.00 C ATOM 989 CD PRO A 68 12.894 3.324 0.515 1.00 0.00 C ATOM 0 HA PRO A 68 14.708 3.606 3.208 1.00 0.00 H new ATOM 0 HB2 PRO A 68 12.324 2.236 3.601 1.00 0.00 H new ATOM 0 HB3 PRO A 68 12.323 3.955 3.263 1.00 0.00 H new ATOM 0 HG2 PRO A 68 11.848 1.655 1.377 1.00 0.00 H new ATOM 0 HG3 PRO A 68 10.986 3.176 1.496 1.00 0.00 H new ATOM 0 HD2 PRO A 68 12.881 2.755 -0.415 1.00 0.00 H new ATOM 0 HD3 PRO A 68 12.607 4.346 0.268 1.00 0.00 H new ATOM 997 N LEU A 69 15.242 0.904 1.868 1.00 0.00 N ATOM 998 CA LEU A 69 15.806 -0.433 2.021 1.00 0.00 C ATOM 999 C LEU A 69 17.328 -0.396 1.925 1.00 0.00 C ATOM 1000 O LEU A 69 18.026 -1.044 2.706 1.00 0.00 O ATOM 1001 CB LEU A 69 15.239 -1.372 0.956 1.00 0.00 C ATOM 1002 CG LEU A 69 13.807 -1.858 1.182 1.00 0.00 C ATOM 1003 CD1 LEU A 69 13.289 -2.585 -0.049 1.00 0.00 C ATOM 1004 CD2 LEU A 69 13.738 -2.762 2.405 1.00 0.00 C ATOM 0 H LEU A 69 15.329 1.293 0.929 1.00 0.00 H new ATOM 0 HA LEU A 69 15.532 -0.806 3.008 1.00 0.00 H new ATOM 0 HB2 LEU A 69 15.281 -0.864 -0.007 1.00 0.00 H new ATOM 0 HB3 LEU A 69 15.890 -2.243 0.885 1.00 0.00 H new ATOM 0 HG LEU A 69 13.173 -0.989 1.359 1.00 0.00 H new ATOM 0 HD11 LEU A 69 12.269 -2.923 0.131 1.00 0.00 H new ATOM 0 HD12 LEU A 69 13.302 -1.908 -0.903 1.00 0.00 H new ATOM 0 HD13 LEU A 69 13.925 -3.445 -0.258 1.00 0.00 H new ATOM 0 HD21 LEU A 69 12.712 -3.099 2.551 1.00 0.00 H new ATOM 0 HD22 LEU A 69 14.386 -3.626 2.256 1.00 0.00 H new ATOM 0 HD23 LEU A 69 14.067 -2.209 3.285 1.00 0.00 H new ATOM 1016 N CYS A 70 17.837 0.369 0.965 1.00 0.00 N ATOM 1017 CA CYS A 70 19.276 0.493 0.767 1.00 0.00 C ATOM 1018 C CYS A 70 19.710 1.954 0.835 1.00 0.00 C ATOM 1019 O CYS A 70 20.830 2.296 0.458 1.00 0.00 O ATOM 1020 CB CYS A 70 19.680 -0.109 -0.580 1.00 0.00 C ATOM 1021 SG CYS A 70 18.744 0.547 -1.998 1.00 0.00 S ATOM 0 H CYS A 70 17.273 0.913 0.311 1.00 0.00 H new ATOM 0 HA CYS A 70 19.776 -0.054 1.566 1.00 0.00 H new ATOM 0 HB2 CYS A 70 20.742 0.074 -0.744 1.00 0.00 H new ATOM 0 HB3 CYS A 70 19.545 -1.190 -0.538 1.00 0.00 H new ATOM 0 HG CYS A 70 17.474 0.536 -1.722 1.00 0.00 H new ATOM 1026 N GLN A 71 18.816 2.810 1.319 1.00 0.00 N ATOM 1027 CA GLN A 71 19.106 4.234 1.436 1.00 0.00 C ATOM 1028 C GLN A 71 20.026 4.695 0.310 1.00 0.00 C ATOM 1029 O GLN A 71 20.902 5.535 0.517 1.00 0.00 O ATOM 1030 CB GLN A 71 19.749 4.535 2.791 1.00 0.00 C ATOM 1031 CG GLN A 71 20.718 3.461 3.257 1.00 0.00 C ATOM 1032 CD GLN A 71 20.013 2.206 3.733 1.00 0.00 C ATOM 1033 OE1 GLN A 71 20.364 1.094 3.336 1.00 0.00 O ATOM 1034 NE2 GLN A 71 19.013 2.377 4.590 1.00 0.00 N ATOM 0 H GLN A 71 17.884 2.542 1.637 1.00 0.00 H new ATOM 0 HA GLN A 71 18.165 4.779 1.359 1.00 0.00 H new ATOM 0 HB2 GLN A 71 20.277 5.487 2.730 1.00 0.00 H new ATOM 0 HB3 GLN A 71 18.964 4.653 3.538 1.00 0.00 H new ATOM 0 HG2 GLN A 71 21.393 3.206 2.440 1.00 0.00 H new ATOM 0 HG3 GLN A 71 21.332 3.857 4.066 1.00 0.00 H new ATOM 0 HE21 GLN A 71 18.756 3.316 4.893 1.00 0.00 H new ATOM 0 HE22 GLN A 71 18.502 1.569 4.946 1.00 0.00 H new ATOM 1043 N GLN A 72 19.821 4.141 -0.880 1.00 0.00 N ATOM 1044 CA GLN A 72 20.633 4.496 -2.038 1.00 0.00 C ATOM 1045 C GLN A 72 19.839 5.356 -3.017 1.00 0.00 C ATOM 1046 O GLN A 72 18.615 5.251 -3.099 1.00 0.00 O ATOM 1047 CB GLN A 72 21.136 3.234 -2.741 1.00 0.00 C ATOM 1048 CG GLN A 72 22.369 2.627 -2.092 1.00 0.00 C ATOM 1049 CD GLN A 72 23.261 1.912 -3.087 1.00 0.00 C ATOM 1050 OE1 GLN A 72 22.843 1.605 -4.204 1.00 0.00 O ATOM 1051 NE2 GLN A 72 24.499 1.644 -2.688 1.00 0.00 N ATOM 0 H GLN A 72 19.100 3.445 -1.068 1.00 0.00 H new ATOM 0 HA GLN A 72 21.488 5.073 -1.687 1.00 0.00 H new ATOM 0 HB2 GLN A 72 20.338 2.491 -2.751 1.00 0.00 H new ATOM 0 HB3 GLN A 72 21.363 3.473 -3.780 1.00 0.00 H new ATOM 0 HG2 GLN A 72 22.940 3.414 -1.599 1.00 0.00 H new ATOM 0 HG3 GLN A 72 22.059 1.925 -1.318 1.00 0.00 H new ATOM 0 HE21 GLN A 72 24.804 1.916 -1.754 1.00 0.00 H new ATOM 0 HE22 GLN A 72 25.145 1.166 -3.316 1.00 0.00 H new ATOM 1060 N ASP A 73 20.544 6.205 -3.756 1.00 0.00 N ATOM 1061 CA ASP A 73 19.905 7.083 -4.730 1.00 0.00 C ATOM 1062 C ASP A 73 18.776 6.358 -5.456 1.00 0.00 C ATOM 1063 O ASP A 73 19.017 5.594 -6.391 1.00 0.00 O ATOM 1064 CB ASP A 73 20.934 7.593 -5.740 1.00 0.00 C ATOM 1065 CG ASP A 73 22.291 7.838 -5.111 1.00 0.00 C ATOM 1066 OD1 ASP A 73 23.098 6.886 -5.050 1.00 0.00 O ATOM 1067 OD2 ASP A 73 22.547 8.981 -4.680 1.00 0.00 O ATOM 0 H ASP A 73 21.558 6.304 -3.700 1.00 0.00 H new ATOM 0 HA ASP A 73 19.481 7.933 -4.195 1.00 0.00 H new ATOM 0 HB2 ASP A 73 21.037 6.868 -6.547 1.00 0.00 H new ATOM 0 HB3 ASP A 73 20.572 8.519 -6.187 1.00 0.00 H new ATOM 1072 N TRP A 74 17.546 6.602 -5.020 1.00 0.00 N ATOM 1073 CA TRP A 74 16.380 5.972 -5.628 1.00 0.00 C ATOM 1074 C TRP A 74 16.218 6.412 -7.079 1.00 0.00 C ATOM 1075 O TRP A 74 16.079 7.601 -7.365 1.00 0.00 O ATOM 1076 CB TRP A 74 15.118 6.313 -4.834 1.00 0.00 C ATOM 1077 CG TRP A 74 13.858 5.831 -5.487 1.00 0.00 C ATOM 1078 CD1 TRP A 74 12.852 6.602 -5.996 1.00 0.00 C ATOM 1079 CD2 TRP A 74 13.468 4.470 -5.698 1.00 0.00 C ATOM 1080 NE1 TRP A 74 11.861 5.802 -6.511 1.00 0.00 N ATOM 1081 CE2 TRP A 74 12.215 4.490 -6.342 1.00 0.00 C ATOM 1082 CE3 TRP A 74 14.057 3.236 -5.409 1.00 0.00 C ATOM 1083 CZ2 TRP A 74 11.543 3.324 -6.698 1.00 0.00 C ATOM 1084 CZ3 TRP A 74 13.388 2.080 -5.762 1.00 0.00 C ATOM 1085 CH2 TRP A 74 12.142 2.130 -6.402 1.00 0.00 C ATOM 0 H TRP A 74 17.330 7.232 -4.247 1.00 0.00 H new ATOM 0 HA TRP A 74 16.531 4.893 -5.610 1.00 0.00 H new ATOM 0 HB2 TRP A 74 15.194 5.875 -3.839 1.00 0.00 H new ATOM 0 HB3 TRP A 74 15.061 7.394 -4.703 1.00 0.00 H new ATOM 0 HD1 TRP A 74 12.838 7.682 -5.994 1.00 0.00 H new ATOM 0 HE1 TRP A 74 11.001 6.132 -6.948 1.00 0.00 H new ATOM 0 HE3 TRP A 74 15.018 3.187 -4.918 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 10.583 3.361 -7.191 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 13.833 1.121 -5.541 1.00 0.00 H new ATOM 0 HH2 TRP A 74 11.645 1.208 -6.667 1.00 0.00 H new ATOM 1096 N VAL A 75 16.236 5.446 -7.992 1.00 0.00 N ATOM 1097 CA VAL A 75 16.090 5.734 -9.413 1.00 0.00 C ATOM 1098 C VAL A 75 15.010 4.861 -10.043 1.00 0.00 C ATOM 1099 O VAL A 75 15.217 3.671 -10.278 1.00 0.00 O ATOM 1100 CB VAL A 75 17.414 5.518 -10.169 1.00 0.00 C ATOM 1101 CG1 VAL A 75 17.253 5.869 -11.640 1.00 0.00 C ATOM 1102 CG2 VAL A 75 18.528 6.338 -9.536 1.00 0.00 C ATOM 0 H VAL A 75 16.350 4.457 -7.772 1.00 0.00 H new ATOM 0 HA VAL A 75 15.800 6.782 -9.495 1.00 0.00 H new ATOM 0 HB VAL A 75 17.684 4.464 -10.099 1.00 0.00 H new ATOM 0 HG11 VAL A 75 18.199 5.710 -12.158 1.00 0.00 H new ATOM 0 HG12 VAL A 75 16.486 5.235 -12.084 1.00 0.00 H new ATOM 0 HG13 VAL A 75 16.959 6.914 -11.735 1.00 0.00 H new ATOM 0 HG21 VAL A 75 19.457 6.173 -10.083 1.00 0.00 H new ATOM 0 HG22 VAL A 75 18.267 7.396 -9.573 1.00 0.00 H new ATOM 0 HG23 VAL A 75 18.659 6.033 -8.498 1.00 0.00 H new ATOM 1112 N VAL A 76 13.855 5.462 -10.314 1.00 0.00 N ATOM 1113 CA VAL A 76 12.742 4.740 -10.919 1.00 0.00 C ATOM 1114 C VAL A 76 13.167 4.059 -12.215 1.00 0.00 C ATOM 1115 O VAL A 76 13.242 4.695 -13.265 1.00 0.00 O ATOM 1116 CB VAL A 76 11.556 5.679 -11.210 1.00 0.00 C ATOM 1117 CG1 VAL A 76 10.448 4.930 -11.935 1.00 0.00 C ATOM 1118 CG2 VAL A 76 11.038 6.297 -9.921 1.00 0.00 C ATOM 0 H VAL A 76 13.666 6.446 -10.124 1.00 0.00 H new ATOM 0 HA VAL A 76 12.429 3.983 -10.201 1.00 0.00 H new ATOM 0 HB VAL A 76 11.902 6.484 -11.858 1.00 0.00 H new ATOM 0 HG11 VAL A 76 9.618 5.609 -12.132 1.00 0.00 H new ATOM 0 HG12 VAL A 76 10.830 4.540 -12.878 1.00 0.00 H new ATOM 0 HG13 VAL A 76 10.101 4.104 -11.314 1.00 0.00 H new ATOM 0 HG21 VAL A 76 10.200 6.957 -10.145 1.00 0.00 H new ATOM 0 HG22 VAL A 76 10.707 5.507 -9.246 1.00 0.00 H new ATOM 0 HG23 VAL A 76 11.835 6.870 -9.446 1.00 0.00 H new ATOM 1128 N GLN A 77 13.444 2.761 -12.132 1.00 0.00 N ATOM 1129 CA GLN A 77 13.862 1.994 -13.299 1.00 0.00 C ATOM 1130 C GLN A 77 12.696 1.785 -14.260 1.00 0.00 C ATOM 1131 O GLN A 77 12.769 2.158 -15.431 1.00 0.00 O ATOM 1132 CB GLN A 77 14.432 0.641 -12.869 1.00 0.00 C ATOM 1133 CG GLN A 77 14.873 -0.231 -14.033 1.00 0.00 C ATOM 1134 CD GLN A 77 15.951 -1.224 -13.643 1.00 0.00 C ATOM 1135 OE1 GLN A 77 17.004 -1.294 -14.276 1.00 0.00 O ATOM 1136 NE2 GLN A 77 15.692 -1.997 -12.595 1.00 0.00 N ATOM 0 H GLN A 77 13.386 2.220 -11.269 1.00 0.00 H new ATOM 0 HA GLN A 77 14.637 2.560 -13.815 1.00 0.00 H new ATOM 0 HB2 GLN A 77 15.283 0.808 -12.208 1.00 0.00 H new ATOM 0 HB3 GLN A 77 13.679 0.106 -12.290 1.00 0.00 H new ATOM 0 HG2 GLN A 77 14.011 -0.771 -14.424 1.00 0.00 H new ATOM 0 HG3 GLN A 77 15.243 0.404 -14.838 1.00 0.00 H new ATOM 0 HE21 GLN A 77 14.805 -1.904 -12.100 1.00 0.00 H new ATOM 0 HE22 GLN A 77 16.380 -2.683 -12.285 1.00 0.00 H new ATOM 1145 N ARG A 78 11.621 1.187 -13.756 1.00 0.00 N ATOM 1146 CA ARG A 78 10.440 0.927 -14.571 1.00 0.00 C ATOM 1147 C ARG A 78 9.181 0.898 -13.708 1.00 0.00 C ATOM 1148 O ARG A 78 9.254 0.723 -12.492 1.00 0.00 O ATOM 1149 CB ARG A 78 10.590 -0.400 -15.317 1.00 0.00 C ATOM 1150 CG ARG A 78 10.865 -1.584 -14.404 1.00 0.00 C ATOM 1151 CD ARG A 78 11.498 -2.739 -15.165 1.00 0.00 C ATOM 1152 NE ARG A 78 12.204 -3.658 -14.277 1.00 0.00 N ATOM 1153 CZ ARG A 78 11.596 -4.582 -13.542 1.00 0.00 C ATOM 1154 NH1 ARG A 78 10.277 -4.710 -13.590 1.00 0.00 N ATOM 1155 NH2 ARG A 78 12.307 -5.382 -12.758 1.00 0.00 N ATOM 0 H ARG A 78 11.544 0.874 -12.788 1.00 0.00 H new ATOM 0 HA ARG A 78 10.345 1.735 -15.297 1.00 0.00 H new ATOM 0 HB2 ARG A 78 9.680 -0.593 -15.884 1.00 0.00 H new ATOM 0 HB3 ARG A 78 11.402 -0.312 -16.038 1.00 0.00 H new ATOM 0 HG2 ARG A 78 11.526 -1.275 -13.594 1.00 0.00 H new ATOM 0 HG3 ARG A 78 9.933 -1.916 -13.946 1.00 0.00 H new ATOM 0 HD2 ARG A 78 10.725 -3.282 -15.708 1.00 0.00 H new ATOM 0 HD3 ARG A 78 12.193 -2.346 -15.907 1.00 0.00 H new ATOM 0 HE ARG A 78 13.220 -3.586 -14.218 1.00 0.00 H new ATOM 0 HH11 ARG A 78 9.727 -4.098 -14.193 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.813 -5.421 -13.024 1.00 0.00 H new ATOM 0 HH21 ARG A 78 13.322 -5.288 -12.719 1.00 0.00 H new ATOM 0 HH22 ARG A 78 11.839 -6.091 -12.194 1.00 0.00 H new ATOM 1169 N ILE A 79 8.029 1.072 -14.347 1.00 0.00 N ATOM 1170 CA ILE A 79 6.755 1.065 -13.639 1.00 0.00 C ATOM 1171 C ILE A 79 5.729 0.199 -14.362 1.00 0.00 C ATOM 1172 O ILE A 79 5.650 0.206 -15.589 1.00 0.00 O ATOM 1173 CB ILE A 79 6.190 2.489 -13.483 1.00 0.00 C ATOM 1174 CG1 ILE A 79 7.223 3.402 -12.819 1.00 0.00 C ATOM 1175 CG2 ILE A 79 4.901 2.462 -12.674 1.00 0.00 C ATOM 1176 CD1 ILE A 79 7.051 4.864 -13.168 1.00 0.00 C ATOM 0 H ILE A 79 7.952 1.219 -15.353 1.00 0.00 H new ATOM 0 HA ILE A 79 6.946 0.648 -12.650 1.00 0.00 H new ATOM 0 HB ILE A 79 5.966 2.885 -14.473 1.00 0.00 H new ATOM 0 HG12 ILE A 79 7.157 3.285 -11.737 1.00 0.00 H new ATOM 0 HG13 ILE A 79 8.222 3.082 -13.114 1.00 0.00 H new ATOM 0 HG21 ILE A 79 4.514 3.476 -12.572 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.164 1.842 -13.184 1.00 0.00 H new ATOM 0 HG23 ILE A 79 5.101 2.049 -11.685 1.00 0.00 H new ATOM 0 HD11 ILE A 79 7.817 5.451 -12.662 1.00 0.00 H new ATOM 0 HD12 ILE A 79 7.146 4.994 -14.246 1.00 0.00 H new ATOM 0 HD13 ILE A 79 6.065 5.201 -12.848 1.00 0.00 H new ATOM 1188 N GLY A 80 4.942 -0.545 -13.590 1.00 0.00 N ATOM 1189 CA GLY A 80 3.929 -1.405 -14.174 1.00 0.00 C ATOM 1190 C GLY A 80 3.738 -2.690 -13.392 1.00 0.00 C ATOM 1191 O GLY A 80 4.431 -2.933 -12.405 1.00 0.00 O ATOM 0 H GLY A 80 4.988 -0.567 -12.571 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.982 -0.867 -14.219 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.208 -1.646 -15.200 1.00 0.00 H new ATOM 1195 N LYS A 81 2.794 -3.514 -13.833 1.00 0.00 N ATOM 1196 CA LYS A 81 2.512 -4.781 -13.168 1.00 0.00 C ATOM 1197 C LYS A 81 3.201 -5.937 -13.886 1.00 0.00 C ATOM 1198 O LYS A 81 3.879 -6.730 -13.235 1.00 0.00 O ATOM 1199 CB LYS A 81 1.002 -5.027 -13.115 1.00 0.00 C ATOM 1200 CG LYS A 81 0.292 -4.222 -12.040 1.00 0.00 C ATOM 1201 CD LYS A 81 -0.104 -2.845 -12.545 1.00 0.00 C ATOM 1202 CE LYS A 81 -1.285 -2.921 -13.500 1.00 0.00 C ATOM 1203 NZ LYS A 81 -2.507 -3.449 -12.832 1.00 0.00 N ATOM 0 H LYS A 81 2.211 -3.327 -14.649 1.00 0.00 H new ATOM 0 HA LYS A 81 2.901 -4.724 -12.151 1.00 0.00 H new ATOM 0 HB2 LYS A 81 0.568 -4.784 -14.085 1.00 0.00 H new ATOM 0 HB3 LYS A 81 0.821 -6.088 -12.942 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -0.597 -4.759 -11.710 1.00 0.00 H new ATOM 0 HG3 LYS A 81 0.943 -4.119 -11.172 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -0.359 -2.206 -11.700 1.00 0.00 H new ATOM 0 HD3 LYS A 81 0.745 -2.383 -13.050 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -1.491 -1.929 -13.902 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -1.028 -3.560 -14.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -3.347 -3.178 -13.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -2.450 -4.486 -12.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -2.578 -3.052 -11.873 1.00 0.00 H new