USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=20 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 18 CYS SG : rot 140:sc= -0.883 USER MOD Set 1.2: A 21 CYS SG : rot -55:sc= -1.03 USER MOD Set 1.3: A 29 CYS SG : rot -126:sc= 0.269 USER MOD Set 1.4: A 32 CYS SG : rot 152:sc= 0.444 USER MOD Set 1.5: A 41 CYS SG : rot -76:sc= 0.879 USER MOD Set 1.6: A 53 HIS : +bothHN:sc= -1.02! C(o=-2!,f=-11!) USER MOD Set 1.7: A 55 CYS SG : rot -119:sc= 0.308 USER MOD Set 1.8: A 56 CYS SG : rot 44:sc= -0.944 USER MOD Set 2.1: A 48 CYS SG : rot 168:sc= -0.88 USER MOD Set 2.2: A 50 HIS : no HE2:sc= -0.171 K(o=-1.5,f=-4.7) USER MOD Set 2.3: A 67 CYS SG : rot 48:sc= 0.682 USER MOD Set 2.4: A 70 CYS SG : rot -47:sc= -1.15 USER MOD Set 3.1: A 17 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 24 GLN : amide:sc= -1.48! C(o=-1.5!,f=-3.6!) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0.19 X(o=0.19,f=-0.0073) USER MOD Single : A 36 ASN : amide:sc= -1.29 K(o=-1.3,f=-6.9!) USER MOD Single : A 37 LYS NZ :NH3+ -119:sc= -0.555 (180deg=-0.974) USER MOD Single : A 38 GLN : amide:sc= -0.538 K(o=-0.54,f=-10!) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 51 SER OG : rot -170:sc= -1.11 USER MOD Single : A 54 ASN :FLIP amide:sc= -1.14 F(o=-3.6!,f=-1.1) USER MOD Single : A 57 MET CE :methyl 157:sc= -1.38 (180deg=-2.25) USER MOD Single : A 58 SER OG : rot -11:sc= 0.199 USER MOD Single : A 62 LYS NZ :NH3+ -132:sc= -1.14 (180deg=-3.87!) USER MOD Single : A 63 GLN : amide:sc= -0.0526 X(o=-0.053,f=0) USER MOD Single : A 64 ASN : amide:sc=-0.00585 X(o=-0.0058,f=-0.0058) USER MOD Single : A 65 ASN : amide:sc= -0.0521 K(o=-0.052,f=-0.99) USER MOD Single : A 71 GLN : amide:sc= -5.81! C(o=-5.8!,f=-7.6!) USER MOD Single : A 72 GLN : amide:sc= -0.0449 K(o=-0.045,f=-1) USER MOD Single : A 77 GLN : amide:sc= -0.31 X(o=-0.31,f=-0.54) USER MOD Single : A 81 LYS NZ :NH3+ -114:sc= -1.68! (180deg=-6.79!) USER MOD ----------------------------------------------------------------- ATOM 208 N THR A 17 8.036 -6.538 -0.248 1.00 0.00 N ATOM 209 CA THR A 17 6.951 -5.871 0.461 1.00 0.00 C ATOM 210 C THR A 17 7.283 -4.405 0.719 1.00 0.00 C ATOM 211 O THR A 17 8.250 -4.090 1.412 1.00 0.00 O ATOM 212 CB THR A 17 6.650 -6.561 1.805 1.00 0.00 C ATOM 213 OG1 THR A 17 6.068 -7.849 1.574 1.00 0.00 O ATOM 214 CG2 THR A 17 5.707 -5.717 2.648 1.00 0.00 C ATOM 0 HA THR A 17 6.070 -5.935 -0.177 1.00 0.00 H new ATOM 0 HB THR A 17 7.589 -6.678 2.346 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.881 -8.282 2.433 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.509 -6.225 3.592 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.165 -4.748 2.846 1.00 0.00 H new ATOM 0 HG23 THR A 17 4.770 -5.572 2.111 1.00 0.00 H new ATOM 222 N CYS A 18 6.473 -3.513 0.159 1.00 0.00 N ATOM 223 CA CYS A 18 6.680 -2.080 0.328 1.00 0.00 C ATOM 224 C CYS A 18 6.898 -1.732 1.797 1.00 0.00 C ATOM 225 O CYS A 18 5.994 -1.872 2.620 1.00 0.00 O ATOM 226 CB CYS A 18 5.481 -1.302 -0.219 1.00 0.00 C ATOM 227 SG CYS A 18 5.629 0.506 -0.053 1.00 0.00 S ATOM 0 H CYS A 18 5.667 -3.758 -0.416 1.00 0.00 H new ATOM 0 HA CYS A 18 7.573 -1.799 -0.231 1.00 0.00 H new ATOM 0 HB2 CYS A 18 5.351 -1.550 -1.272 1.00 0.00 H new ATOM 0 HB3 CYS A 18 4.581 -1.631 0.300 1.00 0.00 H new ATOM 0 HG CYS A 18 5.172 1.079 -1.127 1.00 0.00 H new ATOM 232 N ALA A 19 8.104 -1.276 2.119 1.00 0.00 N ATOM 233 CA ALA A 19 8.441 -0.905 3.487 1.00 0.00 C ATOM 234 C ALA A 19 7.772 0.407 3.882 1.00 0.00 C ATOM 235 O ALA A 19 7.483 0.639 5.056 1.00 0.00 O ATOM 236 CB ALA A 19 9.951 -0.799 3.649 1.00 0.00 C ATOM 0 H ALA A 19 8.864 -1.155 1.450 1.00 0.00 H new ATOM 0 HA ALA A 19 8.069 -1.686 4.150 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.188 -0.521 4.676 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.410 -1.760 3.418 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.337 -0.040 2.969 1.00 0.00 H new ATOM 242 N ILE A 20 7.529 1.262 2.894 1.00 0.00 N ATOM 243 CA ILE A 20 6.893 2.550 3.138 1.00 0.00 C ATOM 244 C ILE A 20 5.574 2.380 3.884 1.00 0.00 C ATOM 245 O ILE A 20 5.291 3.101 4.841 1.00 0.00 O ATOM 246 CB ILE A 20 6.632 3.308 1.823 1.00 0.00 C ATOM 247 CG1 ILE A 20 7.932 3.461 1.031 1.00 0.00 C ATOM 248 CG2 ILE A 20 6.016 4.670 2.109 1.00 0.00 C ATOM 249 CD1 ILE A 20 7.714 3.751 -0.438 1.00 0.00 C ATOM 0 H ILE A 20 7.763 1.086 1.917 1.00 0.00 H new ATOM 0 HA ILE A 20 7.582 3.130 3.751 1.00 0.00 H new ATOM 0 HB ILE A 20 5.928 2.732 1.222 1.00 0.00 H new ATOM 0 HG12 ILE A 20 8.522 4.266 1.468 1.00 0.00 H new ATOM 0 HG13 ILE A 20 8.518 2.547 1.130 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.838 5.193 1.170 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.071 4.539 2.636 1.00 0.00 H new ATOM 0 HG23 ILE A 20 6.698 5.255 2.726 1.00 0.00 H new ATOM 0 HD11 ILE A 20 8.678 3.847 -0.937 1.00 0.00 H new ATOM 0 HD12 ILE A 20 7.151 2.935 -0.890 1.00 0.00 H new ATOM 0 HD13 ILE A 20 7.155 4.681 -0.546 1.00 0.00 H new ATOM 261 N CYS A 21 4.770 1.419 3.441 1.00 0.00 N ATOM 262 CA CYS A 21 3.480 1.151 4.066 1.00 0.00 C ATOM 263 C CYS A 21 3.439 -0.261 4.643 1.00 0.00 C ATOM 264 O CYS A 21 2.492 -0.631 5.337 1.00 0.00 O ATOM 265 CB CYS A 21 2.350 1.333 3.051 1.00 0.00 C ATOM 266 SG CYS A 21 2.386 0.138 1.676 1.00 0.00 S ATOM 0 H CYS A 21 4.989 0.812 2.651 1.00 0.00 H new ATOM 0 HA CYS A 21 3.344 1.862 4.881 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.394 1.247 3.568 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.402 2.342 2.643 1.00 0.00 H new ATOM 0 HG CYS A 21 3.548 0.181 1.094 1.00 0.00 H new ATOM 271 N ARG A 22 4.471 -1.045 4.349 1.00 0.00 N ATOM 272 CA ARG A 22 4.552 -2.416 4.837 1.00 0.00 C ATOM 273 C ARG A 22 3.447 -3.276 4.231 1.00 0.00 C ATOM 274 O ARG A 22 2.846 -4.106 4.913 1.00 0.00 O ATOM 275 CB ARG A 22 4.454 -2.444 6.364 1.00 0.00 C ATOM 276 CG ARG A 22 5.504 -1.591 7.057 1.00 0.00 C ATOM 277 CD ARG A 22 6.859 -2.280 7.073 1.00 0.00 C ATOM 278 NE ARG A 22 7.912 -1.405 7.584 1.00 0.00 N ATOM 279 CZ ARG A 22 9.206 -1.608 7.366 1.00 0.00 C ATOM 280 NH1 ARG A 22 9.606 -2.651 6.651 1.00 0.00 N ATOM 281 NH2 ARG A 22 10.104 -0.768 7.864 1.00 0.00 N ATOM 0 H ARG A 22 5.263 -0.754 3.775 1.00 0.00 H new ATOM 0 HA ARG A 22 5.515 -2.826 4.534 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.464 -2.100 6.663 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.550 -3.474 6.707 1.00 0.00 H new ATOM 0 HG2 ARG A 22 5.589 -0.631 6.548 1.00 0.00 H new ATOM 0 HG3 ARG A 22 5.188 -1.383 8.079 1.00 0.00 H new ATOM 0 HD2 ARG A 22 6.802 -3.177 7.689 1.00 0.00 H new ATOM 0 HD3 ARG A 22 7.114 -2.602 6.063 1.00 0.00 H new ATOM 0 HE ARG A 22 7.638 -0.594 8.138 1.00 0.00 H new ATOM 0 HH11 ARG A 22 8.919 -3.300 6.267 1.00 0.00 H new ATOM 0 HH12 ARG A 22 10.601 -2.804 6.485 1.00 0.00 H new ATOM 0 HH21 ARG A 22 9.801 0.035 8.415 1.00 0.00 H new ATOM 0 HH22 ARG A 22 11.098 -0.925 7.696 1.00 0.00 H new ATOM 295 N VAL A 23 3.183 -3.070 2.944 1.00 0.00 N ATOM 296 CA VAL A 23 2.151 -3.826 2.245 1.00 0.00 C ATOM 297 C VAL A 23 2.704 -4.470 0.979 1.00 0.00 C ATOM 298 O VAL A 23 3.531 -3.883 0.283 1.00 0.00 O ATOM 299 CB VAL A 23 0.955 -2.929 1.871 1.00 0.00 C ATOM 300 CG1 VAL A 23 -0.133 -3.747 1.192 1.00 0.00 C ATOM 301 CG2 VAL A 23 0.413 -2.223 3.104 1.00 0.00 C ATOM 0 H VAL A 23 3.670 -2.386 2.365 1.00 0.00 H new ATOM 0 HA VAL A 23 1.812 -4.605 2.928 1.00 0.00 H new ATOM 0 HB VAL A 23 1.297 -2.170 1.168 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.970 -3.097 0.935 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.266 -4.201 0.285 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.476 -4.529 1.869 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.431 -1.594 2.821 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.085 -2.964 3.833 1.00 0.00 H new ATOM 0 HG23 VAL A 23 1.196 -1.604 3.543 1.00 0.00 H new ATOM 311 N GLN A 24 2.241 -5.682 0.687 1.00 0.00 N ATOM 312 CA GLN A 24 2.691 -6.406 -0.495 1.00 0.00 C ATOM 313 C GLN A 24 2.811 -5.471 -1.694 1.00 0.00 C ATOM 314 O GLN A 24 1.809 -5.077 -2.291 1.00 0.00 O ATOM 315 CB GLN A 24 1.723 -7.546 -0.819 1.00 0.00 C ATOM 316 CG GLN A 24 1.836 -8.727 0.131 1.00 0.00 C ATOM 317 CD GLN A 24 1.822 -8.308 1.588 1.00 0.00 C ATOM 318 OE1 GLN A 24 0.835 -7.758 2.078 1.00 0.00 O ATOM 319 NE2 GLN A 24 2.920 -8.565 2.289 1.00 0.00 N ATOM 0 H GLN A 24 1.555 -6.182 1.253 1.00 0.00 H new ATOM 0 HA GLN A 24 3.676 -6.822 -0.282 1.00 0.00 H new ATOM 0 HB2 GLN A 24 0.702 -7.164 -0.791 1.00 0.00 H new ATOM 0 HB3 GLN A 24 1.907 -7.890 -1.837 1.00 0.00 H new ATOM 0 HG2 GLN A 24 1.012 -9.416 -0.053 1.00 0.00 H new ATOM 0 HG3 GLN A 24 2.758 -9.270 -0.078 1.00 0.00 H new ATOM 0 HE21 GLN A 24 3.715 -9.023 1.842 1.00 0.00 H new ATOM 0 HE22 GLN A 24 2.969 -8.305 3.274 1.00 0.00 H new ATOM 328 N VAL A 25 4.045 -5.118 -2.041 1.00 0.00 N ATOM 329 CA VAL A 25 4.298 -4.229 -3.168 1.00 0.00 C ATOM 330 C VAL A 25 3.439 -4.608 -4.370 1.00 0.00 C ATOM 331 O VAL A 25 2.848 -3.746 -5.020 1.00 0.00 O ATOM 332 CB VAL A 25 5.781 -4.255 -3.583 1.00 0.00 C ATOM 333 CG1 VAL A 25 6.195 -5.658 -3.999 1.00 0.00 C ATOM 334 CG2 VAL A 25 6.038 -3.259 -4.704 1.00 0.00 C ATOM 0 H VAL A 25 4.885 -5.435 -1.557 1.00 0.00 H new ATOM 0 HA VAL A 25 4.038 -3.222 -2.841 1.00 0.00 H new ATOM 0 HB VAL A 25 6.386 -3.964 -2.724 1.00 0.00 H new ATOM 0 HG11 VAL A 25 7.246 -5.656 -4.289 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.050 -6.343 -3.164 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.586 -5.982 -4.843 1.00 0.00 H new ATOM 0 HG21 VAL A 25 7.091 -3.291 -4.985 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.424 -3.517 -5.567 1.00 0.00 H new ATOM 0 HG23 VAL A 25 5.783 -2.255 -4.364 1.00 0.00 H new ATOM 344 N MET A 26 3.374 -5.903 -4.659 1.00 0.00 N ATOM 345 CA MET A 26 2.586 -6.397 -5.782 1.00 0.00 C ATOM 346 C MET A 26 1.120 -6.002 -5.632 1.00 0.00 C ATOM 347 O MET A 26 0.443 -5.708 -6.618 1.00 0.00 O ATOM 348 CB MET A 26 2.708 -7.918 -5.888 1.00 0.00 C ATOM 349 CG MET A 26 4.119 -8.395 -6.192 1.00 0.00 C ATOM 350 SD MET A 26 4.442 -8.528 -7.961 1.00 0.00 S ATOM 351 CE MET A 26 6.219 -8.305 -7.998 1.00 0.00 C ATOM 0 H MET A 26 3.858 -6.630 -4.131 1.00 0.00 H new ATOM 0 HA MET A 26 2.975 -5.944 -6.694 1.00 0.00 H new ATOM 0 HB2 MET A 26 2.375 -8.367 -4.952 1.00 0.00 H new ATOM 0 HB3 MET A 26 2.037 -8.275 -6.669 1.00 0.00 H new ATOM 0 HG2 MET A 26 4.835 -7.705 -5.747 1.00 0.00 H new ATOM 0 HG3 MET A 26 4.279 -9.366 -5.724 1.00 0.00 H new ATOM 0 HE1 MET A 26 6.571 -8.361 -9.028 1.00 0.00 H new ATOM 0 HE2 MET A 26 6.472 -7.330 -7.581 1.00 0.00 H new ATOM 0 HE3 MET A 26 6.696 -9.087 -7.408 1.00 0.00 H new ATOM 361 N ASP A 27 0.636 -5.998 -4.395 1.00 0.00 N ATOM 362 CA ASP A 27 -0.749 -5.639 -4.117 1.00 0.00 C ATOM 363 C ASP A 27 -0.863 -4.166 -3.737 1.00 0.00 C ATOM 364 O ASP A 27 0.140 -3.504 -3.471 1.00 0.00 O ATOM 365 CB ASP A 27 -1.310 -6.513 -2.994 1.00 0.00 C ATOM 366 CG ASP A 27 -0.815 -7.943 -3.071 1.00 0.00 C ATOM 367 OD1 ASP A 27 -0.541 -8.416 -4.194 1.00 0.00 O ATOM 368 OD2 ASP A 27 -0.702 -8.591 -2.009 1.00 0.00 O ATOM 0 H ASP A 27 1.183 -6.240 -3.569 1.00 0.00 H new ATOM 0 HA ASP A 27 -1.331 -5.808 -5.023 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.030 -6.086 -2.031 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.399 -6.506 -3.041 1.00 0.00 H new ATOM 373 N ALA A 28 -2.091 -3.658 -3.715 1.00 0.00 N ATOM 374 CA ALA A 28 -2.335 -2.264 -3.367 1.00 0.00 C ATOM 375 C ALA A 28 -2.028 -2.004 -1.896 1.00 0.00 C ATOM 376 O ALA A 28 -2.179 -2.889 -1.053 1.00 0.00 O ATOM 377 CB ALA A 28 -3.775 -1.886 -3.683 1.00 0.00 C ATOM 0 H ALA A 28 -2.932 -4.191 -3.934 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.668 -1.643 -3.965 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.944 -0.842 -3.418 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.962 -2.025 -4.748 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -4.452 -2.520 -3.110 1.00 0.00 H new ATOM 383 N CYS A 29 -1.597 -0.784 -1.594 1.00 0.00 N ATOM 384 CA CYS A 29 -1.267 -0.406 -0.225 1.00 0.00 C ATOM 385 C CYS A 29 -2.532 -0.238 0.613 1.00 0.00 C ATOM 386 O CYS A 29 -3.645 -0.258 0.087 1.00 0.00 O ATOM 387 CB CYS A 29 -0.457 0.892 -0.212 1.00 0.00 C ATOM 388 SG CYS A 29 -1.345 2.328 -0.895 1.00 0.00 S ATOM 0 H CYS A 29 -1.468 -0.040 -2.279 1.00 0.00 H new ATOM 0 HA CYS A 29 -0.667 -1.205 0.211 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -0.163 1.114 0.814 1.00 0.00 H new ATOM 0 HB3 CYS A 29 0.460 0.741 -0.781 1.00 0.00 H new ATOM 0 HG CYS A 29 -0.625 2.881 -1.826 1.00 0.00 H new ATOM 393 N LEU A 30 -2.352 -0.072 1.918 1.00 0.00 N ATOM 394 CA LEU A 30 -3.478 0.101 2.830 1.00 0.00 C ATOM 395 C LEU A 30 -4.212 1.408 2.547 1.00 0.00 C ATOM 396 O LEU A 30 -5.332 1.615 3.013 1.00 0.00 O ATOM 397 CB LEU A 30 -2.993 0.079 4.280 1.00 0.00 C ATOM 398 CG LEU A 30 -2.863 -1.302 4.923 1.00 0.00 C ATOM 399 CD1 LEU A 30 -2.146 -1.203 6.261 1.00 0.00 C ATOM 400 CD2 LEU A 30 -4.233 -1.941 5.097 1.00 0.00 C ATOM 0 H LEU A 30 -1.437 -0.053 2.369 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.171 -0.725 2.673 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.022 0.571 4.325 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.680 0.674 4.881 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.270 -1.934 4.262 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.063 -2.196 6.704 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.149 -0.788 6.110 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.711 -0.554 6.930 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.121 -2.923 5.556 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.850 -1.310 5.737 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.711 -2.048 4.123 1.00 0.00 H new ATOM 412 N ARG A 31 -3.573 2.285 1.779 1.00 0.00 N ATOM 413 CA ARG A 31 -4.166 3.571 1.433 1.00 0.00 C ATOM 414 C ARG A 31 -5.015 3.457 0.171 1.00 0.00 C ATOM 415 O ARG A 31 -6.001 4.176 0.005 1.00 0.00 O ATOM 416 CB ARG A 31 -3.073 4.623 1.232 1.00 0.00 C ATOM 417 CG ARG A 31 -2.189 4.823 2.452 1.00 0.00 C ATOM 418 CD ARG A 31 -2.998 5.268 3.660 1.00 0.00 C ATOM 419 NE ARG A 31 -2.165 5.917 4.668 1.00 0.00 N ATOM 420 CZ ARG A 31 -1.753 7.177 4.581 1.00 0.00 C ATOM 421 NH1 ARG A 31 -2.096 7.920 3.538 1.00 0.00 N ATOM 422 NH2 ARG A 31 -0.996 7.697 5.540 1.00 0.00 N ATOM 0 H ARG A 31 -2.645 2.128 1.385 1.00 0.00 H new ATOM 0 HA ARG A 31 -4.810 3.879 2.257 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.450 4.331 0.386 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.539 5.573 0.971 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.670 3.893 2.683 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.425 5.568 2.230 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.780 5.956 3.339 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.495 4.404 4.102 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.884 5.373 5.484 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.678 7.525 2.799 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -1.778 8.887 3.474 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.730 7.129 6.344 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -0.680 8.665 5.472 1.00 0.00 H new ATOM 436 N CYS A 32 -4.625 2.548 -0.718 1.00 0.00 N ATOM 437 CA CYS A 32 -5.349 2.340 -1.966 1.00 0.00 C ATOM 438 C CYS A 32 -6.397 1.241 -1.810 1.00 0.00 C ATOM 439 O CYS A 32 -7.440 1.269 -2.462 1.00 0.00 O ATOM 440 CB CYS A 32 -4.376 1.975 -3.089 1.00 0.00 C ATOM 441 SG CYS A 32 -3.341 3.363 -3.655 1.00 0.00 S ATOM 0 H CYS A 32 -3.812 1.944 -0.597 1.00 0.00 H new ATOM 0 HA CYS A 32 -5.857 3.270 -2.222 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -3.728 1.169 -2.746 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -4.943 1.590 -3.936 1.00 0.00 H new ATOM 0 HG CYS A 32 -2.212 2.906 -4.109 1.00 0.00 H new ATOM 446 N GLN A 33 -6.110 0.277 -0.942 1.00 0.00 N ATOM 447 CA GLN A 33 -7.028 -0.831 -0.701 1.00 0.00 C ATOM 448 C GLN A 33 -8.283 -0.351 0.020 1.00 0.00 C ATOM 449 O GLN A 33 -9.350 -0.952 -0.103 1.00 0.00 O ATOM 450 CB GLN A 33 -6.339 -1.922 0.121 1.00 0.00 C ATOM 451 CG GLN A 33 -5.317 -2.724 -0.669 1.00 0.00 C ATOM 452 CD GLN A 33 -5.119 -4.121 -0.115 1.00 0.00 C ATOM 453 OE1 GLN A 33 -5.999 -4.976 -0.224 1.00 0.00 O ATOM 454 NE2 GLN A 33 -3.958 -4.362 0.483 1.00 0.00 N ATOM 0 H GLN A 33 -5.250 0.240 -0.394 1.00 0.00 H new ATOM 0 HA GLN A 33 -7.321 -1.244 -1.666 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -5.845 -1.463 0.977 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -7.095 -2.601 0.515 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -5.638 -2.791 -1.708 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -4.363 -2.196 -0.664 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -3.257 -3.624 0.551 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -3.768 -5.285 0.874 1.00 0.00 H new ATOM 463 N ALA A 34 -8.148 0.736 0.774 1.00 0.00 N ATOM 464 CA ALA A 34 -9.271 1.297 1.513 1.00 0.00 C ATOM 465 C ALA A 34 -9.983 2.372 0.699 1.00 0.00 C ATOM 466 O ALA A 34 -11.204 2.507 0.765 1.00 0.00 O ATOM 467 CB ALA A 34 -8.796 1.867 2.842 1.00 0.00 C ATOM 0 H ALA A 34 -7.271 1.245 0.888 1.00 0.00 H new ATOM 0 HA ALA A 34 -9.983 0.495 1.707 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -9.645 2.283 3.384 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -8.340 1.075 3.435 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -8.062 2.652 2.660 1.00 0.00 H new ATOM 473 N GLU A 35 -9.211 3.135 -0.069 1.00 0.00 N ATOM 474 CA GLU A 35 -9.769 4.199 -0.896 1.00 0.00 C ATOM 475 C GLU A 35 -10.280 3.645 -2.223 1.00 0.00 C ATOM 476 O GLU A 35 -10.876 4.368 -3.020 1.00 0.00 O ATOM 477 CB GLU A 35 -8.717 5.280 -1.153 1.00 0.00 C ATOM 478 CG GLU A 35 -8.541 6.246 0.007 1.00 0.00 C ATOM 479 CD GLU A 35 -7.988 7.588 -0.431 1.00 0.00 C ATOM 480 OE1 GLU A 35 -7.091 7.606 -1.299 1.00 0.00 O ATOM 481 OE2 GLU A 35 -8.454 8.621 0.094 1.00 0.00 O ATOM 0 H GLU A 35 -8.198 3.036 -0.136 1.00 0.00 H new ATOM 0 HA GLU A 35 -10.609 4.640 -0.359 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.761 4.802 -1.365 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.996 5.842 -2.044 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.502 6.396 0.499 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.871 5.804 0.745 1.00 0.00 H new ATOM 488 N ASN A 36 -10.041 2.358 -2.452 1.00 0.00 N ATOM 489 CA ASN A 36 -10.477 1.707 -3.682 1.00 0.00 C ATOM 490 C ASN A 36 -9.754 2.293 -4.892 1.00 0.00 C ATOM 491 O ASN A 36 -10.363 2.539 -5.933 1.00 0.00 O ATOM 492 CB ASN A 36 -11.989 1.857 -3.856 1.00 0.00 C ATOM 493 CG ASN A 36 -12.758 1.434 -2.619 1.00 0.00 C ATOM 494 OD1 ASN A 36 -12.447 1.859 -1.506 1.00 0.00 O ATOM 495 ND2 ASN A 36 -13.767 0.593 -2.809 1.00 0.00 N ATOM 0 H ASN A 36 -9.548 1.745 -1.802 1.00 0.00 H new ATOM 0 HA ASN A 36 -10.230 0.648 -3.610 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -12.224 2.896 -4.089 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -12.315 1.258 -4.706 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -14.321 0.273 -2.014 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -13.989 0.267 -3.750 1.00 0.00 H new ATOM 502 N LYS A 37 -8.452 2.512 -4.747 1.00 0.00 N ATOM 503 CA LYS A 37 -7.644 3.067 -5.827 1.00 0.00 C ATOM 504 C LYS A 37 -6.556 2.086 -6.251 1.00 0.00 C ATOM 505 O LYS A 37 -5.543 2.481 -6.829 1.00 0.00 O ATOM 506 CB LYS A 37 -7.011 4.390 -5.391 1.00 0.00 C ATOM 507 CG LYS A 37 -8.017 5.404 -4.874 1.00 0.00 C ATOM 508 CD LYS A 37 -8.448 6.368 -5.967 1.00 0.00 C ATOM 509 CE LYS A 37 -9.223 5.656 -7.065 1.00 0.00 C ATOM 510 NZ LYS A 37 -8.345 5.276 -8.206 1.00 0.00 N ATOM 0 H LYS A 37 -7.933 2.314 -3.892 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.298 3.249 -6.680 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.275 4.192 -4.612 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.474 4.822 -6.235 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.891 4.884 -4.481 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -7.580 5.963 -4.046 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.066 7.155 -5.536 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -7.569 6.851 -6.395 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.694 4.762 -6.656 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.024 6.303 -7.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -8.675 5.750 -9.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -7.367 5.566 -8.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.379 4.245 -8.342 1.00 0.00 H new ATOM 524 N GLN A 38 -6.773 0.807 -5.962 1.00 0.00 N ATOM 525 CA GLN A 38 -5.810 -0.230 -6.315 1.00 0.00 C ATOM 526 C GLN A 38 -5.455 -0.162 -7.797 1.00 0.00 C ATOM 527 O GLN A 38 -4.281 -0.111 -8.161 1.00 0.00 O ATOM 528 CB GLN A 38 -6.369 -1.612 -5.975 1.00 0.00 C ATOM 529 CG GLN A 38 -6.939 -1.709 -4.569 1.00 0.00 C ATOM 530 CD GLN A 38 -8.440 -1.499 -4.532 1.00 0.00 C ATOM 531 OE1 GLN A 38 -8.950 -0.496 -5.031 1.00 0.00 O ATOM 532 NE2 GLN A 38 -9.156 -2.447 -3.939 1.00 0.00 N ATOM 0 H GLN A 38 -7.607 0.464 -5.485 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.903 -0.060 -5.735 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -7.149 -1.866 -6.693 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -5.578 -2.353 -6.089 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -6.703 -2.688 -4.152 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -6.456 -0.967 -3.933 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -8.691 -3.262 -3.539 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -10.171 -2.360 -3.884 1.00 0.00 H new ATOM 541 N GLU A 39 -6.478 -0.162 -8.646 1.00 0.00 N ATOM 542 CA GLU A 39 -6.272 -0.101 -10.088 1.00 0.00 C ATOM 543 C GLU A 39 -5.128 0.847 -10.435 1.00 0.00 C ATOM 544 O GLU A 39 -4.408 0.636 -11.411 1.00 0.00 O ATOM 545 CB GLU A 39 -7.555 0.351 -10.790 1.00 0.00 C ATOM 546 CG GLU A 39 -8.654 -0.698 -10.783 1.00 0.00 C ATOM 547 CD GLU A 39 -10.039 -0.092 -10.903 1.00 0.00 C ATOM 548 OE1 GLU A 39 -10.279 0.967 -10.288 1.00 0.00 O ATOM 549 OE2 GLU A 39 -10.883 -0.679 -11.613 1.00 0.00 O ATOM 0 H GLU A 39 -7.456 -0.204 -8.360 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.010 -1.101 -10.434 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.924 1.255 -10.307 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -7.321 0.614 -11.822 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -8.493 -1.393 -11.607 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -8.593 -1.277 -9.861 1.00 0.00 H new ATOM 556 N ASP A 40 -4.969 1.891 -9.630 1.00 0.00 N ATOM 557 CA ASP A 40 -3.913 2.873 -9.851 1.00 0.00 C ATOM 558 C ASP A 40 -2.630 2.461 -9.135 1.00 0.00 C ATOM 559 O ASP A 40 -1.527 2.721 -9.616 1.00 0.00 O ATOM 560 CB ASP A 40 -4.360 4.253 -9.368 1.00 0.00 C ATOM 561 CG ASP A 40 -5.115 5.023 -10.434 1.00 0.00 C ATOM 562 OD1 ASP A 40 -4.576 5.174 -11.550 1.00 0.00 O ATOM 563 OD2 ASP A 40 -6.245 5.474 -10.152 1.00 0.00 O ATOM 0 H ASP A 40 -5.557 2.080 -8.818 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.713 2.919 -10.921 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.994 4.139 -8.489 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.486 4.827 -9.059 1.00 0.00 H new ATOM 568 N CYS A 41 -2.782 1.817 -7.983 1.00 0.00 N ATOM 569 CA CYS A 41 -1.637 1.370 -7.199 1.00 0.00 C ATOM 570 C CYS A 41 -0.803 0.360 -7.982 1.00 0.00 C ATOM 571 O CYS A 41 -1.055 -0.844 -7.928 1.00 0.00 O ATOM 572 CB CYS A 41 -2.105 0.749 -5.881 1.00 0.00 C ATOM 573 SG CYS A 41 -0.905 0.901 -4.520 1.00 0.00 S ATOM 0 H CYS A 41 -3.688 1.593 -7.571 1.00 0.00 H new ATOM 0 HA CYS A 41 -1.015 2.239 -6.983 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -3.040 1.222 -5.581 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -2.320 -0.307 -6.045 1.00 0.00 H new ATOM 0 HG CYS A 41 0.060 0.047 -4.695 1.00 0.00 H new ATOM 578 N VAL A 42 0.192 0.859 -8.709 1.00 0.00 N ATOM 579 CA VAL A 42 1.064 0.001 -9.502 1.00 0.00 C ATOM 580 C VAL A 42 2.380 -0.263 -8.778 1.00 0.00 C ATOM 581 O VAL A 42 2.607 0.238 -7.676 1.00 0.00 O ATOM 582 CB VAL A 42 1.364 0.625 -10.878 1.00 0.00 C ATOM 583 CG1 VAL A 42 0.090 0.745 -11.699 1.00 0.00 C ATOM 584 CG2 VAL A 42 2.033 1.981 -10.713 1.00 0.00 C ATOM 0 H VAL A 42 0.414 1.853 -8.765 1.00 0.00 H new ATOM 0 HA VAL A 42 0.536 -0.942 -9.646 1.00 0.00 H new ATOM 0 HB VAL A 42 2.051 -0.030 -11.413 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.322 1.188 -12.668 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.342 -0.245 -11.847 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.624 1.378 -11.172 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.238 2.408 -11.695 1.00 0.00 H new ATOM 0 HG22 VAL A 42 1.372 2.648 -10.158 1.00 0.00 H new ATOM 0 HG23 VAL A 42 2.969 1.861 -10.167 1.00 0.00 H new ATOM 594 N VAL A 43 3.245 -1.054 -9.405 1.00 0.00 N ATOM 595 CA VAL A 43 4.540 -1.384 -8.822 1.00 0.00 C ATOM 596 C VAL A 43 5.670 -0.662 -9.547 1.00 0.00 C ATOM 597 O VAL A 43 5.810 -0.771 -10.766 1.00 0.00 O ATOM 598 CB VAL A 43 4.804 -2.901 -8.865 1.00 0.00 C ATOM 599 CG1 VAL A 43 6.204 -3.214 -8.360 1.00 0.00 C ATOM 600 CG2 VAL A 43 3.756 -3.647 -8.053 1.00 0.00 C ATOM 0 H VAL A 43 3.072 -1.478 -10.316 1.00 0.00 H new ATOM 0 HA VAL A 43 4.512 -1.056 -7.783 1.00 0.00 H new ATOM 0 HB VAL A 43 4.734 -3.235 -9.900 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.372 -4.290 -8.398 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.938 -2.710 -8.988 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.306 -2.867 -7.332 1.00 0.00 H new ATOM 0 HG21 VAL A 43 3.958 -4.717 -8.094 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.791 -3.311 -7.017 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.767 -3.448 -8.465 1.00 0.00 H new ATOM 610 N VAL A 44 6.475 0.076 -8.790 1.00 0.00 N ATOM 611 CA VAL A 44 7.595 0.816 -9.360 1.00 0.00 C ATOM 612 C VAL A 44 8.928 0.209 -8.936 1.00 0.00 C ATOM 613 O VAL A 44 9.290 0.243 -7.760 1.00 0.00 O ATOM 614 CB VAL A 44 7.561 2.297 -8.940 1.00 0.00 C ATOM 615 CG1 VAL A 44 7.628 2.425 -7.426 1.00 0.00 C ATOM 616 CG2 VAL A 44 8.698 3.064 -9.599 1.00 0.00 C ATOM 0 H VAL A 44 6.373 0.178 -7.780 1.00 0.00 H new ATOM 0 HA VAL A 44 7.498 0.751 -10.444 1.00 0.00 H new ATOM 0 HB VAL A 44 6.619 2.730 -9.276 1.00 0.00 H new ATOM 0 HG11 VAL A 44 7.603 3.479 -7.148 1.00 0.00 H new ATOM 0 HG12 VAL A 44 6.776 1.912 -6.979 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.553 1.976 -7.064 1.00 0.00 H new ATOM 0 HG21 VAL A 44 8.659 4.109 -9.291 1.00 0.00 H new ATOM 0 HG22 VAL A 44 9.652 2.632 -9.296 1.00 0.00 H new ATOM 0 HG23 VAL A 44 8.599 3.001 -10.683 1.00 0.00 H new ATOM 626 N TRP A 45 9.652 -0.346 -9.901 1.00 0.00 N ATOM 627 CA TRP A 45 10.947 -0.960 -9.627 1.00 0.00 C ATOM 628 C TRP A 45 12.067 0.070 -9.712 1.00 0.00 C ATOM 629 O TRP A 45 12.032 0.971 -10.548 1.00 0.00 O ATOM 630 CB TRP A 45 11.210 -2.102 -10.610 1.00 0.00 C ATOM 631 CG TRP A 45 10.275 -3.261 -10.439 1.00 0.00 C ATOM 632 CD1 TRP A 45 10.508 -4.404 -9.729 1.00 0.00 C ATOM 633 CD2 TRP A 45 8.960 -3.389 -10.991 1.00 0.00 C ATOM 634 NE1 TRP A 45 9.416 -5.235 -9.806 1.00 0.00 N ATOM 635 CE2 TRP A 45 8.453 -4.635 -10.574 1.00 0.00 C ATOM 636 CE3 TRP A 45 8.161 -2.572 -11.795 1.00 0.00 C ATOM 637 CZ2 TRP A 45 7.185 -5.081 -10.935 1.00 0.00 C ATOM 638 CZ3 TRP A 45 6.902 -3.016 -12.153 1.00 0.00 C ATOM 639 CH2 TRP A 45 6.424 -4.261 -11.723 1.00 0.00 C ATOM 0 H TRP A 45 9.365 -0.384 -10.879 1.00 0.00 H new ATOM 0 HA TRP A 45 10.925 -1.360 -8.613 1.00 0.00 H new ATOM 0 HB2 TRP A 45 11.124 -1.722 -11.628 1.00 0.00 H new ATOM 0 HB3 TRP A 45 12.235 -2.450 -10.485 1.00 0.00 H new ATOM 0 HD1 TRP A 45 11.416 -4.623 -9.187 1.00 0.00 H new ATOM 0 HE1 TRP A 45 9.336 -6.150 -9.363 1.00 0.00 H new ATOM 0 HE3 TRP A 45 8.521 -1.611 -12.131 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 6.815 -6.040 -10.605 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 6.276 -2.393 -12.775 1.00 0.00 H new ATOM 0 HH2 TRP A 45 5.436 -4.580 -12.019 1.00 0.00 H new ATOM 650 N GLY A 46 13.062 -0.070 -8.841 1.00 0.00 N ATOM 651 CA GLY A 46 14.180 0.856 -8.836 1.00 0.00 C ATOM 652 C GLY A 46 15.463 0.218 -9.330 1.00 0.00 C ATOM 653 O GLY A 46 15.559 -1.005 -9.425 1.00 0.00 O ATOM 0 H GLY A 46 13.114 -0.808 -8.139 1.00 0.00 H new ATOM 0 HA2 GLY A 46 13.940 1.714 -9.463 1.00 0.00 H new ATOM 0 HA3 GLY A 46 14.331 1.233 -7.824 1.00 0.00 H new ATOM 657 N GLU A 47 16.451 1.050 -9.647 1.00 0.00 N ATOM 658 CA GLU A 47 17.734 0.559 -10.137 1.00 0.00 C ATOM 659 C GLU A 47 18.381 -0.380 -9.123 1.00 0.00 C ATOM 660 O GLU A 47 19.176 -1.248 -9.483 1.00 0.00 O ATOM 661 CB GLU A 47 18.672 1.730 -10.436 1.00 0.00 C ATOM 662 CG GLU A 47 18.408 2.395 -11.777 1.00 0.00 C ATOM 663 CD GLU A 47 18.990 1.616 -12.940 1.00 0.00 C ATOM 664 OE1 GLU A 47 19.087 0.375 -12.834 1.00 0.00 O ATOM 665 OE2 GLU A 47 19.348 2.247 -13.956 1.00 0.00 O ATOM 0 H GLU A 47 16.388 2.065 -9.573 1.00 0.00 H new ATOM 0 HA GLU A 47 17.554 0.003 -11.057 1.00 0.00 H new ATOM 0 HB2 GLU A 47 18.574 2.474 -9.646 1.00 0.00 H new ATOM 0 HB3 GLU A 47 19.702 1.374 -10.413 1.00 0.00 H new ATOM 0 HG2 GLU A 47 17.333 2.503 -11.919 1.00 0.00 H new ATOM 0 HG3 GLU A 47 18.831 3.399 -11.770 1.00 0.00 H new ATOM 672 N CYS A 48 18.035 -0.198 -7.853 1.00 0.00 N ATOM 673 CA CYS A 48 18.581 -1.026 -6.785 1.00 0.00 C ATOM 674 C CYS A 48 17.865 -2.372 -6.720 1.00 0.00 C ATOM 675 O CYS A 48 18.043 -3.136 -5.772 1.00 0.00 O ATOM 676 CB CYS A 48 18.460 -0.306 -5.440 1.00 0.00 C ATOM 677 SG CYS A 48 16.756 0.168 -5.002 1.00 0.00 S ATOM 0 H CYS A 48 17.378 0.516 -7.538 1.00 0.00 H new ATOM 0 HA CYS A 48 19.634 -1.205 -7.000 1.00 0.00 H new ATOM 0 HB2 CYS A 48 18.859 -0.951 -4.657 1.00 0.00 H new ATOM 0 HB3 CYS A 48 19.081 0.590 -5.462 1.00 0.00 H new ATOM 0 HG CYS A 48 16.713 0.526 -3.753 1.00 0.00 H new ATOM 682 N ASN A 49 17.055 -2.655 -7.735 1.00 0.00 N ATOM 683 CA ASN A 49 16.312 -3.908 -7.794 1.00 0.00 C ATOM 684 C ASN A 49 15.326 -4.011 -6.634 1.00 0.00 C ATOM 685 O ASN A 49 15.205 -5.059 -5.999 1.00 0.00 O ATOM 686 CB ASN A 49 17.274 -5.098 -7.766 1.00 0.00 C ATOM 687 CG ASN A 49 17.707 -5.524 -9.156 1.00 0.00 C ATOM 688 OD1 ASN A 49 16.875 -5.831 -10.010 1.00 0.00 O ATOM 689 ND2 ASN A 49 19.014 -5.544 -9.388 1.00 0.00 N ATOM 0 H ASN A 49 16.897 -2.033 -8.528 1.00 0.00 H new ATOM 0 HA ASN A 49 15.751 -3.924 -8.728 1.00 0.00 H new ATOM 0 HB2 ASN A 49 18.154 -4.837 -7.178 1.00 0.00 H new ATOM 0 HB3 ASN A 49 16.794 -5.938 -7.264 1.00 0.00 H new ATOM 0 HD21 ASN A 49 19.365 -5.822 -10.304 1.00 0.00 H new ATOM 0 HD22 ASN A 49 19.667 -5.281 -8.650 1.00 0.00 H new ATOM 696 N HIS A 50 14.622 -2.916 -6.364 1.00 0.00 N ATOM 697 CA HIS A 50 13.645 -2.883 -5.282 1.00 0.00 C ATOM 698 C HIS A 50 12.309 -2.335 -5.773 1.00 0.00 C ATOM 699 O HIS A 50 12.231 -1.209 -6.265 1.00 0.00 O ATOM 700 CB HIS A 50 14.164 -2.030 -4.124 1.00 0.00 C ATOM 701 CG HIS A 50 15.273 -2.678 -3.353 1.00 0.00 C ATOM 702 ND1 HIS A 50 16.134 -1.975 -2.538 1.00 0.00 N ATOM 703 CD2 HIS A 50 15.657 -3.974 -3.275 1.00 0.00 C ATOM 704 CE1 HIS A 50 17.002 -2.809 -1.993 1.00 0.00 C ATOM 705 NE2 HIS A 50 16.734 -4.028 -2.424 1.00 0.00 N ATOM 0 H HIS A 50 14.710 -2.040 -6.880 1.00 0.00 H new ATOM 0 HA HIS A 50 13.493 -3.904 -4.932 1.00 0.00 H new ATOM 0 HB2 HIS A 50 14.514 -1.075 -4.516 1.00 0.00 H new ATOM 0 HB3 HIS A 50 13.339 -1.813 -3.445 1.00 0.00 H new ATOM 0 HD1 HIS A 50 16.106 -0.968 -2.380 1.00 0.00 H new ATOM 0 HD2 HIS A 50 15.202 -4.809 -3.786 1.00 0.00 H new ATOM 0 HE1 HIS A 50 17.795 -2.540 -1.311 1.00 0.00 H new ATOM 713 N SER A 51 11.259 -3.139 -5.637 1.00 0.00 N ATOM 714 CA SER A 51 9.926 -2.736 -6.072 1.00 0.00 C ATOM 715 C SER A 51 9.175 -2.038 -4.942 1.00 0.00 C ATOM 716 O SER A 51 9.266 -2.437 -3.781 1.00 0.00 O ATOM 717 CB SER A 51 9.134 -3.954 -6.551 1.00 0.00 C ATOM 718 OG SER A 51 8.939 -4.882 -5.499 1.00 0.00 O ATOM 0 H SER A 51 11.305 -4.073 -5.229 1.00 0.00 H new ATOM 0 HA SER A 51 10.036 -2.035 -6.899 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.168 -3.633 -6.941 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.664 -4.437 -7.372 1.00 0.00 H new ATOM 0 HG SER A 51 8.573 -5.715 -5.862 1.00 0.00 H new ATOM 724 N PHE A 52 8.432 -0.994 -5.292 1.00 0.00 N ATOM 725 CA PHE A 52 7.664 -0.238 -4.308 1.00 0.00 C ATOM 726 C PHE A 52 6.331 0.219 -4.893 1.00 0.00 C ATOM 727 O PHE A 52 5.994 -0.110 -6.031 1.00 0.00 O ATOM 728 CB PHE A 52 8.465 0.973 -3.826 1.00 0.00 C ATOM 729 CG PHE A 52 9.701 0.606 -3.055 1.00 0.00 C ATOM 730 CD1 PHE A 52 9.632 0.337 -1.698 1.00 0.00 C ATOM 731 CD2 PHE A 52 10.931 0.530 -3.688 1.00 0.00 C ATOM 732 CE1 PHE A 52 10.768 0.001 -0.986 1.00 0.00 C ATOM 733 CE2 PHE A 52 12.070 0.193 -2.982 1.00 0.00 C ATOM 734 CZ PHE A 52 11.988 -0.073 -1.629 1.00 0.00 C ATOM 0 H PHE A 52 8.345 -0.652 -6.249 1.00 0.00 H new ATOM 0 HA PHE A 52 7.463 -0.892 -3.460 1.00 0.00 H new ATOM 0 HB2 PHE A 52 8.750 1.577 -4.688 1.00 0.00 H new ATOM 0 HB3 PHE A 52 7.826 1.595 -3.199 1.00 0.00 H new ATOM 0 HD1 PHE A 52 8.680 0.390 -1.191 1.00 0.00 H new ATOM 0 HD2 PHE A 52 11.000 0.737 -4.746 1.00 0.00 H new ATOM 0 HE1 PHE A 52 10.702 -0.204 0.072 1.00 0.00 H new ATOM 0 HE2 PHE A 52 13.023 0.138 -3.487 1.00 0.00 H new ATOM 0 HZ PHE A 52 12.876 -0.338 -1.075 1.00 0.00 H new ATOM 744 N HIS A 53 5.576 0.979 -4.107 1.00 0.00 N ATOM 745 CA HIS A 53 4.279 1.483 -4.546 1.00 0.00 C ATOM 746 C HIS A 53 4.413 2.880 -5.145 1.00 0.00 C ATOM 747 O HIS A 53 4.690 3.845 -4.435 1.00 0.00 O ATOM 748 CB HIS A 53 3.296 1.509 -3.376 1.00 0.00 C ATOM 749 CG HIS A 53 2.852 0.148 -2.935 1.00 0.00 C ATOM 750 ND1 HIS A 53 2.783 -0.229 -1.611 1.00 0.00 N ATOM 751 CD2 HIS A 53 2.452 -0.928 -3.652 1.00 0.00 C ATOM 752 CE1 HIS A 53 2.362 -1.479 -1.532 1.00 0.00 C ATOM 753 NE2 HIS A 53 2.153 -1.926 -2.757 1.00 0.00 N ATOM 0 H HIS A 53 5.840 1.260 -3.162 1.00 0.00 H new ATOM 0 HA HIS A 53 3.898 0.812 -5.316 1.00 0.00 H new ATOM 0 HB2 HIS A 53 3.761 2.021 -2.533 1.00 0.00 H new ATOM 0 HB3 HIS A 53 2.421 2.093 -3.661 1.00 0.00 H new ATOM 0 HD1 HIS A 53 3.020 0.364 -0.816 1.00 0.00 H new ATOM 0 HD2 HIS A 53 2.381 -0.990 -4.728 1.00 0.00 H new ATOM 0 HE1 HIS A 53 2.214 -2.040 -0.621 1.00 0.00 H new ATOM 0 HE2 HIS A 53 1.823 -2.860 -2.999 1.00 0.00 H new ATOM 761 N ASN A 54 4.215 2.978 -6.455 1.00 0.00 N ATOM 762 CA ASN A 54 4.315 4.257 -7.150 1.00 0.00 C ATOM 763 C ASN A 54 3.678 5.373 -6.328 1.00 0.00 C ATOM 764 O ASN A 54 4.160 6.506 -6.321 1.00 0.00 O ATOM 765 CB ASN A 54 3.643 4.170 -8.521 1.00 0.00 C ATOM 766 CG ASN A 54 2.143 4.383 -8.444 1.00 0.00 C ATOM 767 OD1 ASN A 54 1.440 3.427 -7.848 1.00 0.00 O flip ATOM 768 ND2 ASN A 54 1.624 5.395 -8.915 1.00 0.00 N flip ATOM 0 H ASN A 54 3.984 2.188 -7.057 1.00 0.00 H new ATOM 0 HA ASN A 54 5.372 4.487 -7.286 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.080 4.916 -9.185 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.847 3.194 -8.961 1.00 0.00 H new ATOM 0 HD21 ASN A 54 2.204 6.104 -9.364 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.614 5.525 -8.856 1.00 0.00 H new ATOM 775 N CYS A 55 2.592 5.045 -5.636 1.00 0.00 N ATOM 776 CA CYS A 55 1.888 6.019 -4.810 1.00 0.00 C ATOM 777 C CYS A 55 2.694 6.355 -3.559 1.00 0.00 C ATOM 778 O CYS A 55 2.845 7.523 -3.200 1.00 0.00 O ATOM 779 CB CYS A 55 0.511 5.481 -4.414 1.00 0.00 C ATOM 780 SG CYS A 55 0.566 3.954 -3.423 1.00 0.00 S ATOM 0 H CYS A 55 2.180 4.112 -5.631 1.00 0.00 H new ATOM 0 HA CYS A 55 1.761 6.930 -5.394 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -0.019 6.249 -3.850 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -0.068 5.294 -5.318 1.00 0.00 H new ATOM 0 HG CYS A 55 -0.047 3.001 -4.060 1.00 0.00 H new ATOM 785 N CYS A 56 3.211 5.324 -2.900 1.00 0.00 N ATOM 786 CA CYS A 56 4.002 5.508 -1.689 1.00 0.00 C ATOM 787 C CYS A 56 5.305 6.240 -1.997 1.00 0.00 C ATOM 788 O CYS A 56 5.530 7.354 -1.525 1.00 0.00 O ATOM 789 CB CYS A 56 4.304 4.156 -1.041 1.00 0.00 C ATOM 790 SG CYS A 56 2.829 3.274 -0.437 1.00 0.00 S ATOM 0 H CYS A 56 3.096 4.351 -3.184 1.00 0.00 H new ATOM 0 HA CYS A 56 3.421 6.114 -0.994 1.00 0.00 H new ATOM 0 HB2 CYS A 56 4.820 3.525 -1.765 1.00 0.00 H new ATOM 0 HB3 CYS A 56 4.989 4.310 -0.207 1.00 0.00 H new ATOM 0 HG CYS A 56 1.884 3.349 -1.326 1.00 0.00 H new ATOM 795 N MET A 57 6.160 5.605 -2.791 1.00 0.00 N ATOM 796 CA MET A 57 7.441 6.196 -3.164 1.00 0.00 C ATOM 797 C MET A 57 7.312 7.706 -3.337 1.00 0.00 C ATOM 798 O MET A 57 7.934 8.479 -2.608 1.00 0.00 O ATOM 799 CB MET A 57 7.962 5.565 -4.456 1.00 0.00 C ATOM 800 CG MET A 57 9.070 6.366 -5.120 1.00 0.00 C ATOM 801 SD MET A 57 10.472 6.653 -4.023 1.00 0.00 S ATOM 802 CE MET A 57 10.612 5.054 -3.227 1.00 0.00 C ATOM 0 H MET A 57 5.990 4.681 -3.189 1.00 0.00 H new ATOM 0 HA MET A 57 8.151 5.999 -2.361 1.00 0.00 H new ATOM 0 HB2 MET A 57 8.330 4.562 -4.238 1.00 0.00 H new ATOM 0 HB3 MET A 57 7.134 5.455 -5.157 1.00 0.00 H new ATOM 0 HG2 MET A 57 9.412 5.837 -6.010 1.00 0.00 H new ATOM 0 HG3 MET A 57 8.671 7.325 -5.452 1.00 0.00 H new ATOM 0 HE1 MET A 57 11.626 4.923 -2.849 1.00 0.00 H new ATOM 0 HE2 MET A 57 9.906 4.997 -2.399 1.00 0.00 H new ATOM 0 HE3 MET A 57 10.390 4.268 -3.948 1.00 0.00 H new ATOM 812 N SER A 58 6.502 8.119 -4.306 1.00 0.00 N ATOM 813 CA SER A 58 6.296 9.537 -4.578 1.00 0.00 C ATOM 814 C SER A 58 6.163 10.325 -3.278 1.00 0.00 C ATOM 815 O SER A 58 6.640 11.455 -3.172 1.00 0.00 O ATOM 816 CB SER A 58 5.047 9.737 -5.439 1.00 0.00 C ATOM 817 OG SER A 58 3.914 9.130 -4.842 1.00 0.00 O ATOM 0 H SER A 58 5.977 7.492 -4.916 1.00 0.00 H new ATOM 0 HA SER A 58 7.165 9.908 -5.121 1.00 0.00 H new ATOM 0 HB2 SER A 58 4.863 10.803 -5.576 1.00 0.00 H new ATOM 0 HB3 SER A 58 5.212 9.312 -6.429 1.00 0.00 H new ATOM 0 HG SER A 58 4.202 8.559 -4.099 1.00 0.00 H new ATOM 823 N LEU A 59 5.510 9.721 -2.292 1.00 0.00 N ATOM 824 CA LEU A 59 5.313 10.364 -0.997 1.00 0.00 C ATOM 825 C LEU A 59 6.555 10.223 -0.124 1.00 0.00 C ATOM 826 O LEU A 59 7.021 11.195 0.471 1.00 0.00 O ATOM 827 CB LEU A 59 4.103 9.760 -0.284 1.00 0.00 C ATOM 828 CG LEU A 59 2.800 9.725 -1.084 1.00 0.00 C ATOM 829 CD1 LEU A 59 1.828 8.725 -0.478 1.00 0.00 C ATOM 830 CD2 LEU A 59 2.174 11.111 -1.144 1.00 0.00 C ATOM 0 H LEU A 59 5.108 8.787 -2.364 1.00 0.00 H new ATOM 0 HA LEU A 59 5.132 11.425 -1.170 1.00 0.00 H new ATOM 0 HB2 LEU A 59 4.352 8.741 0.011 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.928 10.323 0.632 1.00 0.00 H new ATOM 0 HG LEU A 59 3.029 9.407 -2.101 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.907 8.714 -1.061 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.275 7.731 -0.488 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.604 9.012 0.549 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.248 11.067 -1.717 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.959 11.457 -0.133 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.866 11.802 -1.625 1.00 0.00 H new ATOM 842 N TRP A 60 7.088 9.008 -0.054 1.00 0.00 N ATOM 843 CA TRP A 60 8.278 8.741 0.745 1.00 0.00 C ATOM 844 C TRP A 60 9.409 9.693 0.373 1.00 0.00 C ATOM 845 O TRP A 60 10.169 10.137 1.234 1.00 0.00 O ATOM 846 CB TRP A 60 8.730 7.292 0.554 1.00 0.00 C ATOM 847 CG TRP A 60 10.125 7.037 1.039 1.00 0.00 C ATOM 848 CD1 TRP A 60 11.273 7.100 0.302 1.00 0.00 C ATOM 849 CD2 TRP A 60 10.518 6.676 2.368 1.00 0.00 C ATOM 850 NE1 TRP A 60 12.356 6.800 1.093 1.00 0.00 N ATOM 851 CE2 TRP A 60 11.920 6.537 2.364 1.00 0.00 C ATOM 852 CE3 TRP A 60 9.823 6.458 3.560 1.00 0.00 C ATOM 853 CZ2 TRP A 60 12.636 6.189 3.507 1.00 0.00 C ATOM 854 CZ3 TRP A 60 10.535 6.113 4.693 1.00 0.00 C ATOM 855 CH2 TRP A 60 11.930 5.982 4.660 1.00 0.00 C ATOM 0 H TRP A 60 6.715 8.193 -0.541 1.00 0.00 H new ATOM 0 HA TRP A 60 8.025 8.901 1.793 1.00 0.00 H new ATOM 0 HB2 TRP A 60 8.043 6.632 1.083 1.00 0.00 H new ATOM 0 HB3 TRP A 60 8.668 7.036 -0.504 1.00 0.00 H new ATOM 0 HD1 TRP A 60 11.322 7.349 -0.748 1.00 0.00 H new ATOM 0 HE1 TRP A 60 13.328 6.777 0.783 1.00 0.00 H new ATOM 0 HE3 TRP A 60 8.748 6.557 3.595 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 13.711 6.086 3.484 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 10.008 5.941 5.620 1.00 0.00 H new ATOM 0 HH2 TRP A 60 12.458 5.712 5.563 1.00 0.00 H new ATOM 866 N VAL A 61 9.516 10.003 -0.916 1.00 0.00 N ATOM 867 CA VAL A 61 10.554 10.904 -1.401 1.00 0.00 C ATOM 868 C VAL A 61 10.353 12.316 -0.863 1.00 0.00 C ATOM 869 O VAL A 61 11.277 13.129 -0.860 1.00 0.00 O ATOM 870 CB VAL A 61 10.580 10.952 -2.941 1.00 0.00 C ATOM 871 CG1 VAL A 61 11.064 9.627 -3.509 1.00 0.00 C ATOM 872 CG2 VAL A 61 9.204 11.305 -3.485 1.00 0.00 C ATOM 0 H VAL A 61 8.897 9.643 -1.642 1.00 0.00 H new ATOM 0 HA VAL A 61 11.506 10.514 -1.040 1.00 0.00 H new ATOM 0 HB VAL A 61 11.279 11.729 -3.252 1.00 0.00 H new ATOM 0 HG11 VAL A 61 11.076 9.680 -4.598 1.00 0.00 H new ATOM 0 HG12 VAL A 61 12.071 9.421 -3.145 1.00 0.00 H new ATOM 0 HG13 VAL A 61 10.393 8.828 -3.192 1.00 0.00 H new ATOM 0 HG21 VAL A 61 9.240 11.335 -4.574 1.00 0.00 H new ATOM 0 HG22 VAL A 61 8.483 10.553 -3.166 1.00 0.00 H new ATOM 0 HG23 VAL A 61 8.902 12.281 -3.105 1.00 0.00 H new ATOM 882 N LYS A 62 9.138 12.601 -0.406 1.00 0.00 N ATOM 883 CA LYS A 62 8.814 13.915 0.138 1.00 0.00 C ATOM 884 C LYS A 62 9.564 14.164 1.442 1.00 0.00 C ATOM 885 O LYS A 62 9.771 15.310 1.840 1.00 0.00 O ATOM 886 CB LYS A 62 7.307 14.034 0.373 1.00 0.00 C ATOM 887 CG LYS A 62 6.477 13.827 -0.882 1.00 0.00 C ATOM 888 CD LYS A 62 5.001 14.083 -0.623 1.00 0.00 C ATOM 889 CE LYS A 62 4.297 14.593 -1.872 1.00 0.00 C ATOM 890 NZ LYS A 62 4.089 13.510 -2.872 1.00 0.00 N ATOM 0 H LYS A 62 8.361 11.940 -0.402 1.00 0.00 H new ATOM 0 HA LYS A 62 9.123 14.668 -0.587 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.006 13.302 1.122 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.089 15.020 0.784 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.831 14.495 -1.668 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.612 12.808 -1.245 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.525 13.163 -0.285 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.892 14.811 0.181 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.334 15.023 -1.596 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.886 15.393 -2.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.396 13.840 -3.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.645 12.674 -2.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.081 13.258 -2.906 1.00 0.00 H new ATOM 904 N GLN A 63 9.970 13.084 2.102 1.00 0.00 N ATOM 905 CA GLN A 63 10.698 13.187 3.361 1.00 0.00 C ATOM 906 C GLN A 63 12.104 12.612 3.225 1.00 0.00 C ATOM 907 O GLN A 63 13.072 13.192 3.715 1.00 0.00 O ATOM 908 CB GLN A 63 9.942 12.458 4.473 1.00 0.00 C ATOM 909 CG GLN A 63 8.536 12.990 4.702 1.00 0.00 C ATOM 910 CD GLN A 63 8.520 14.257 5.535 1.00 0.00 C ATOM 911 OE1 GLN A 63 8.102 15.316 5.067 1.00 0.00 O ATOM 912 NE2 GLN A 63 8.976 14.154 6.778 1.00 0.00 N ATOM 0 H GLN A 63 9.807 12.128 1.786 1.00 0.00 H new ATOM 0 HA GLN A 63 10.780 14.243 3.619 1.00 0.00 H new ATOM 0 HB2 GLN A 63 9.885 11.398 4.227 1.00 0.00 H new ATOM 0 HB3 GLN A 63 10.508 12.540 5.401 1.00 0.00 H new ATOM 0 HG2 GLN A 63 8.065 13.187 3.739 1.00 0.00 H new ATOM 0 HG3 GLN A 63 7.939 12.225 5.199 1.00 0.00 H new ATOM 0 HE21 GLN A 63 9.313 13.256 7.125 1.00 0.00 H new ATOM 0 HE22 GLN A 63 8.989 14.973 7.386 1.00 0.00 H new ATOM 921 N ASN A 64 12.208 11.467 2.558 1.00 0.00 N ATOM 922 CA ASN A 64 13.496 10.813 2.359 1.00 0.00 C ATOM 923 C ASN A 64 13.668 10.380 0.906 1.00 0.00 C ATOM 924 O ASN A 64 13.115 9.367 0.480 1.00 0.00 O ATOM 925 CB ASN A 64 13.624 9.599 3.282 1.00 0.00 C ATOM 926 CG ASN A 64 13.526 9.976 4.748 1.00 0.00 C ATOM 927 OD1 ASN A 64 14.388 10.675 5.280 1.00 0.00 O ATOM 928 ND2 ASN A 64 12.471 9.511 5.409 1.00 0.00 N ATOM 0 H ASN A 64 11.416 10.973 2.146 1.00 0.00 H new ATOM 0 HA ASN A 64 14.280 11.530 2.602 1.00 0.00 H new ATOM 0 HB2 ASN A 64 12.842 8.879 3.042 1.00 0.00 H new ATOM 0 HB3 ASN A 64 14.579 9.106 3.099 1.00 0.00 H new ATOM 0 HD21 ASN A 64 12.351 9.730 6.398 1.00 0.00 H new ATOM 0 HD22 ASN A 64 11.781 8.935 4.927 1.00 0.00 H new ATOM 935 N ASN A 65 14.439 11.156 0.150 1.00 0.00 N ATOM 936 CA ASN A 65 14.684 10.853 -1.255 1.00 0.00 C ATOM 937 C ASN A 65 15.719 9.742 -1.400 1.00 0.00 C ATOM 938 O ASN A 65 16.661 9.856 -2.185 1.00 0.00 O ATOM 939 CB ASN A 65 15.158 12.107 -1.993 1.00 0.00 C ATOM 940 CG ASN A 65 15.022 11.978 -3.498 1.00 0.00 C ATOM 941 OD1 ASN A 65 13.921 11.809 -4.021 1.00 0.00 O ATOM 942 ND2 ASN A 65 16.146 12.055 -4.202 1.00 0.00 N ATOM 0 H ASN A 65 14.904 11.999 0.487 1.00 0.00 H new ATOM 0 HA ASN A 65 13.747 10.512 -1.696 1.00 0.00 H new ATOM 0 HB2 ASN A 65 14.581 12.966 -1.651 1.00 0.00 H new ATOM 0 HB3 ASN A 65 16.200 12.302 -1.740 1.00 0.00 H new ATOM 0 HD21 ASN A 65 16.118 11.973 -5.218 1.00 0.00 H new ATOM 0 HD22 ASN A 65 17.037 12.196 -3.726 1.00 0.00 H new ATOM 949 N ARG A 66 15.538 8.669 -0.638 1.00 0.00 N ATOM 950 CA ARG A 66 16.456 7.537 -0.680 1.00 0.00 C ATOM 951 C ARG A 66 15.732 6.236 -0.346 1.00 0.00 C ATOM 952 O ARG A 66 14.963 6.170 0.614 1.00 0.00 O ATOM 953 CB ARG A 66 17.613 7.755 0.296 1.00 0.00 C ATOM 954 CG ARG A 66 18.422 9.010 0.012 1.00 0.00 C ATOM 955 CD ARG A 66 19.269 9.410 1.210 1.00 0.00 C ATOM 956 NE ARG A 66 19.908 10.710 1.019 1.00 0.00 N ATOM 957 CZ ARG A 66 21.048 10.878 0.358 1.00 0.00 C ATOM 958 NH1 ARG A 66 21.671 9.835 -0.173 1.00 0.00 N ATOM 959 NH2 ARG A 66 21.567 12.092 0.227 1.00 0.00 N ATOM 0 H ARG A 66 14.763 8.559 0.017 1.00 0.00 H new ATOM 0 HA ARG A 66 16.853 7.461 -1.692 1.00 0.00 H new ATOM 0 HB2 ARG A 66 17.216 7.810 1.310 1.00 0.00 H new ATOM 0 HB3 ARG A 66 18.275 6.890 0.260 1.00 0.00 H new ATOM 0 HG2 ARG A 66 19.067 8.841 -0.851 1.00 0.00 H new ATOM 0 HG3 ARG A 66 17.749 9.827 -0.248 1.00 0.00 H new ATOM 0 HD2 ARG A 66 18.643 9.441 2.102 1.00 0.00 H new ATOM 0 HD3 ARG A 66 20.033 8.652 1.383 1.00 0.00 H new ATOM 0 HE ARG A 66 19.454 11.533 1.415 1.00 0.00 H new ATOM 0 HH11 ARG A 66 21.275 8.900 -0.075 1.00 0.00 H new ATOM 0 HH12 ARG A 66 22.546 9.968 -0.680 1.00 0.00 H new ATOM 0 HH21 ARG A 66 21.091 12.897 0.634 1.00 0.00 H new ATOM 0 HH22 ARG A 66 22.442 12.220 -0.281 1.00 0.00 H new ATOM 973 N CYS A 67 15.982 5.204 -1.143 1.00 0.00 N ATOM 974 CA CYS A 67 15.355 3.905 -0.934 1.00 0.00 C ATOM 975 C CYS A 67 15.402 3.509 0.539 1.00 0.00 C ATOM 976 O CYS A 67 16.466 3.442 1.156 1.00 0.00 O ATOM 977 CB CYS A 67 16.047 2.837 -1.782 1.00 0.00 C ATOM 978 SG CYS A 67 15.093 1.296 -1.963 1.00 0.00 S ATOM 0 H CYS A 67 16.616 5.242 -1.941 1.00 0.00 H new ATOM 0 HA CYS A 67 14.311 3.981 -1.239 1.00 0.00 H new ATOM 0 HB2 CYS A 67 16.245 3.247 -2.772 1.00 0.00 H new ATOM 0 HB3 CYS A 67 17.013 2.603 -1.335 1.00 0.00 H new ATOM 0 HG CYS A 67 13.870 1.580 -2.299 1.00 0.00 H new ATOM 983 N PRO A 68 14.222 3.241 1.118 1.00 0.00 N ATOM 984 CA PRO A 68 14.102 2.846 2.525 1.00 0.00 C ATOM 985 C PRO A 68 14.659 1.451 2.785 1.00 0.00 C ATOM 986 O PRO A 68 14.532 0.916 3.888 1.00 0.00 O ATOM 987 CB PRO A 68 12.592 2.875 2.774 1.00 0.00 C ATOM 988 CG PRO A 68 11.983 2.656 1.432 1.00 0.00 C ATOM 989 CD PRO A 68 12.915 3.301 0.444 1.00 0.00 C ATOM 0 HA PRO A 68 14.669 3.505 3.183 1.00 0.00 H new ATOM 0 HB2 PRO A 68 12.292 2.098 3.477 1.00 0.00 H new ATOM 0 HB3 PRO A 68 12.279 3.828 3.200 1.00 0.00 H new ATOM 0 HG2 PRO A 68 11.869 1.592 1.224 1.00 0.00 H new ATOM 0 HG3 PRO A 68 10.989 3.099 1.378 1.00 0.00 H new ATOM 0 HD2 PRO A 68 12.928 2.765 -0.505 1.00 0.00 H new ATOM 0 HD3 PRO A 68 12.622 4.328 0.227 1.00 0.00 H new ATOM 997 N LEU A 69 15.275 0.865 1.765 1.00 0.00 N ATOM 998 CA LEU A 69 15.852 -0.470 1.884 1.00 0.00 C ATOM 999 C LEU A 69 17.373 -0.416 1.786 1.00 0.00 C ATOM 1000 O LEU A 69 18.079 -1.095 2.533 1.00 0.00 O ATOM 1001 CB LEU A 69 15.292 -1.388 0.796 1.00 0.00 C ATOM 1002 CG LEU A 69 13.984 -2.105 1.131 1.00 0.00 C ATOM 1003 CD1 LEU A 69 12.883 -1.098 1.428 1.00 0.00 C ATOM 1004 CD2 LEU A 69 13.573 -3.026 -0.008 1.00 0.00 C ATOM 0 H LEU A 69 15.388 1.293 0.846 1.00 0.00 H new ATOM 0 HA LEU A 69 15.583 -0.870 2.862 1.00 0.00 H new ATOM 0 HB2 LEU A 69 15.138 -0.797 -0.107 1.00 0.00 H new ATOM 0 HB3 LEU A 69 16.045 -2.140 0.560 1.00 0.00 H new ATOM 0 HG LEU A 69 14.144 -2.711 2.023 1.00 0.00 H new ATOM 0 HD11 LEU A 69 11.960 -1.627 1.664 1.00 0.00 H new ATOM 0 HD12 LEU A 69 13.174 -0.480 2.277 1.00 0.00 H new ATOM 0 HD13 LEU A 69 12.725 -0.464 0.556 1.00 0.00 H new ATOM 0 HD21 LEU A 69 12.640 -3.528 0.248 1.00 0.00 H new ATOM 0 HD22 LEU A 69 13.432 -2.441 -0.917 1.00 0.00 H new ATOM 0 HD23 LEU A 69 14.352 -3.771 -0.173 1.00 0.00 H new ATOM 1016 N CYS A 70 17.873 0.397 0.861 1.00 0.00 N ATOM 1017 CA CYS A 70 19.311 0.542 0.666 1.00 0.00 C ATOM 1018 C CYS A 70 19.730 2.005 0.774 1.00 0.00 C ATOM 1019 O CYS A 70 20.848 2.369 0.410 1.00 0.00 O ATOM 1020 CB CYS A 70 19.720 -0.018 -0.698 1.00 0.00 C ATOM 1021 SG CYS A 70 18.749 0.638 -2.093 1.00 0.00 S ATOM 0 H CYS A 70 17.303 0.966 0.234 1.00 0.00 H new ATOM 0 HA CYS A 70 19.818 -0.021 1.450 1.00 0.00 H new ATOM 0 HB2 CYS A 70 20.774 0.202 -0.868 1.00 0.00 H new ATOM 0 HB3 CYS A 70 19.620 -1.103 -0.678 1.00 0.00 H new ATOM 0 HG CYS A 70 17.484 0.597 -1.798 1.00 0.00 H new ATOM 1026 N GLN A 71 18.825 2.838 1.277 1.00 0.00 N ATOM 1027 CA GLN A 71 19.101 4.262 1.432 1.00 0.00 C ATOM 1028 C GLN A 71 20.015 4.764 0.320 1.00 0.00 C ATOM 1029 O GLN A 71 20.862 5.629 0.543 1.00 0.00 O ATOM 1030 CB GLN A 71 19.739 4.533 2.795 1.00 0.00 C ATOM 1031 CG GLN A 71 20.710 3.450 3.239 1.00 0.00 C ATOM 1032 CD GLN A 71 20.007 2.187 3.696 1.00 0.00 C ATOM 1033 OE1 GLN A 71 20.352 1.083 3.274 1.00 0.00 O ATOM 1034 NE2 GLN A 71 19.013 2.343 4.563 1.00 0.00 N ATOM 0 H GLN A 71 17.895 2.552 1.584 1.00 0.00 H new ATOM 0 HA GLN A 71 18.155 4.799 1.368 1.00 0.00 H new ATOM 0 HB2 GLN A 71 20.264 5.487 2.758 1.00 0.00 H new ATOM 0 HB3 GLN A 71 18.952 4.632 3.542 1.00 0.00 H new ATOM 0 HG2 GLN A 71 21.382 3.209 2.415 1.00 0.00 H new ATOM 0 HG3 GLN A 71 21.327 3.832 4.052 1.00 0.00 H new ATOM 0 HE21 GLN A 71 18.760 3.277 4.887 1.00 0.00 H new ATOM 0 HE22 GLN A 71 18.502 1.529 4.905 1.00 0.00 H new ATOM 1043 N GLN A 72 19.839 4.214 -0.877 1.00 0.00 N ATOM 1044 CA GLN A 72 20.650 4.606 -2.024 1.00 0.00 C ATOM 1045 C GLN A 72 19.851 5.482 -2.982 1.00 0.00 C ATOM 1046 O GLN A 72 18.623 5.409 -3.028 1.00 0.00 O ATOM 1047 CB GLN A 72 21.167 3.367 -2.757 1.00 0.00 C ATOM 1048 CG GLN A 72 22.402 2.753 -2.118 1.00 0.00 C ATOM 1049 CD GLN A 72 23.301 2.067 -3.128 1.00 0.00 C ATOM 1050 OE1 GLN A 72 22.893 1.796 -4.258 1.00 0.00 O ATOM 1051 NE2 GLN A 72 24.534 1.781 -2.725 1.00 0.00 N ATOM 0 H GLN A 72 19.143 3.496 -1.078 1.00 0.00 H new ATOM 0 HA GLN A 72 21.499 5.183 -1.657 1.00 0.00 H new ATOM 0 HB2 GLN A 72 20.375 2.618 -2.791 1.00 0.00 H new ATOM 0 HB3 GLN A 72 21.397 3.635 -3.788 1.00 0.00 H new ATOM 0 HG2 GLN A 72 22.966 3.532 -1.605 1.00 0.00 H new ATOM 0 HG3 GLN A 72 22.094 2.031 -1.362 1.00 0.00 H new ATOM 0 HE21 GLN A 72 24.831 2.023 -1.780 1.00 0.00 H new ATOM 0 HE22 GLN A 72 25.184 1.319 -3.361 1.00 0.00 H new ATOM 1060 N ASP A 73 20.555 6.311 -3.746 1.00 0.00 N ATOM 1061 CA ASP A 73 19.911 7.201 -4.704 1.00 0.00 C ATOM 1062 C ASP A 73 18.815 6.470 -5.474 1.00 0.00 C ATOM 1063 O ASP A 73 19.090 5.766 -6.445 1.00 0.00 O ATOM 1064 CB ASP A 73 20.943 7.770 -5.679 1.00 0.00 C ATOM 1065 CG ASP A 73 20.554 9.138 -6.202 1.00 0.00 C ATOM 1066 OD1 ASP A 73 20.206 10.012 -5.379 1.00 0.00 O ATOM 1067 OD2 ASP A 73 20.598 9.337 -7.434 1.00 0.00 O ATOM 0 H ASP A 73 21.572 6.385 -3.720 1.00 0.00 H new ATOM 0 HA ASP A 73 19.456 8.022 -4.150 1.00 0.00 H new ATOM 0 HB2 ASP A 73 21.910 7.836 -5.181 1.00 0.00 H new ATOM 0 HB3 ASP A 73 21.062 7.084 -6.518 1.00 0.00 H new ATOM 1072 N TRP A 74 17.574 6.642 -5.032 1.00 0.00 N ATOM 1073 CA TRP A 74 16.437 5.997 -5.680 1.00 0.00 C ATOM 1074 C TRP A 74 16.325 6.426 -7.138 1.00 0.00 C ATOM 1075 O TRP A 74 16.288 7.618 -7.444 1.00 0.00 O ATOM 1076 CB TRP A 74 15.143 6.332 -4.936 1.00 0.00 C ATOM 1077 CG TRP A 74 13.915 5.801 -5.611 1.00 0.00 C ATOM 1078 CD1 TRP A 74 12.935 6.530 -6.221 1.00 0.00 C ATOM 1079 CD2 TRP A 74 13.537 4.426 -5.743 1.00 0.00 C ATOM 1080 NE1 TRP A 74 11.969 5.691 -6.723 1.00 0.00 N ATOM 1081 CE2 TRP A 74 12.316 4.396 -6.444 1.00 0.00 C ATOM 1082 CE3 TRP A 74 14.111 3.218 -5.338 1.00 0.00 C ATOM 1083 CZ2 TRP A 74 11.661 3.205 -6.747 1.00 0.00 C ATOM 1084 CZ3 TRP A 74 13.460 2.037 -5.640 1.00 0.00 C ATOM 1085 CH2 TRP A 74 12.246 2.037 -6.339 1.00 0.00 C ATOM 0 H TRP A 74 17.330 7.222 -4.229 1.00 0.00 H new ATOM 0 HA TRP A 74 16.597 4.919 -5.650 1.00 0.00 H new ATOM 0 HB2 TRP A 74 15.198 5.926 -3.926 1.00 0.00 H new ATOM 0 HB3 TRP A 74 15.057 7.414 -4.841 1.00 0.00 H new ATOM 0 HD1 TRP A 74 12.921 7.607 -6.298 1.00 0.00 H new ATOM 0 HE1 TRP A 74 11.130 5.985 -7.222 1.00 0.00 H new ATOM 0 HE3 TRP A 74 15.047 3.208 -4.799 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 10.725 3.203 -7.285 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 13.895 1.098 -5.332 1.00 0.00 H new ATOM 0 HH2 TRP A 74 11.762 1.097 -6.560 1.00 0.00 H new ATOM 1096 N VAL A 75 16.272 5.448 -8.036 1.00 0.00 N ATOM 1097 CA VAL A 75 16.163 5.725 -9.464 1.00 0.00 C ATOM 1098 C VAL A 75 15.080 4.868 -10.109 1.00 0.00 C ATOM 1099 O VAL A 75 15.306 3.701 -10.430 1.00 0.00 O ATOM 1100 CB VAL A 75 17.499 5.475 -10.188 1.00 0.00 C ATOM 1101 CG1 VAL A 75 17.352 5.723 -11.681 1.00 0.00 C ATOM 1102 CG2 VAL A 75 18.595 6.351 -9.599 1.00 0.00 C ATOM 0 H VAL A 75 16.303 4.456 -7.800 1.00 0.00 H new ATOM 0 HA VAL A 75 15.896 6.777 -9.563 1.00 0.00 H new ATOM 0 HB VAL A 75 17.781 4.432 -10.044 1.00 0.00 H new ATOM 0 HG11 VAL A 75 18.306 5.541 -12.176 1.00 0.00 H new ATOM 0 HG12 VAL A 75 16.598 5.050 -12.089 1.00 0.00 H new ATOM 0 HG13 VAL A 75 17.047 6.756 -11.850 1.00 0.00 H new ATOM 0 HG21 VAL A 75 19.532 6.162 -10.122 1.00 0.00 H new ATOM 0 HG22 VAL A 75 18.322 7.400 -9.712 1.00 0.00 H new ATOM 0 HG23 VAL A 75 18.717 6.119 -8.541 1.00 0.00 H new ATOM 1112 N VAL A 76 13.902 5.455 -10.297 1.00 0.00 N ATOM 1113 CA VAL A 76 12.783 4.746 -10.905 1.00 0.00 C ATOM 1114 C VAL A 76 13.204 4.066 -12.204 1.00 0.00 C ATOM 1115 O VAL A 76 13.345 4.717 -13.238 1.00 0.00 O ATOM 1116 CB VAL A 76 11.607 5.697 -11.195 1.00 0.00 C ATOM 1117 CG1 VAL A 76 10.482 4.956 -11.901 1.00 0.00 C ATOM 1118 CG2 VAL A 76 11.109 6.335 -9.907 1.00 0.00 C ATOM 0 H VAL A 76 13.698 6.420 -10.037 1.00 0.00 H new ATOM 0 HA VAL A 76 12.461 3.990 -10.189 1.00 0.00 H new ATOM 0 HB VAL A 76 11.958 6.490 -11.855 1.00 0.00 H new ATOM 0 HG11 VAL A 76 9.660 5.644 -12.098 1.00 0.00 H new ATOM 0 HG12 VAL A 76 10.849 4.550 -12.844 1.00 0.00 H new ATOM 0 HG13 VAL A 76 10.130 4.141 -11.268 1.00 0.00 H new ATOM 0 HG21 VAL A 76 10.278 7.004 -10.130 1.00 0.00 H new ATOM 0 HG22 VAL A 76 10.774 5.557 -9.221 1.00 0.00 H new ATOM 0 HG23 VAL A 76 11.917 6.902 -9.446 1.00 0.00 H new ATOM 1128 N GLN A 77 13.403 2.754 -12.141 1.00 0.00 N ATOM 1129 CA GLN A 77 13.808 1.986 -13.312 1.00 0.00 C ATOM 1130 C GLN A 77 12.633 1.783 -14.263 1.00 0.00 C ATOM 1131 O GLN A 77 12.689 2.180 -15.427 1.00 0.00 O ATOM 1132 CB GLN A 77 14.376 0.630 -12.888 1.00 0.00 C ATOM 1133 CG GLN A 77 15.109 -0.098 -14.003 1.00 0.00 C ATOM 1134 CD GLN A 77 16.100 -1.119 -13.480 1.00 0.00 C ATOM 1135 OE1 GLN A 77 17.217 -1.233 -13.985 1.00 0.00 O ATOM 1136 NE2 GLN A 77 15.696 -1.869 -12.461 1.00 0.00 N ATOM 0 H GLN A 77 13.290 2.201 -11.292 1.00 0.00 H new ATOM 0 HA GLN A 77 14.582 2.549 -13.834 1.00 0.00 H new ATOM 0 HB2 GLN A 77 15.059 0.777 -12.051 1.00 0.00 H new ATOM 0 HB3 GLN A 77 13.562 0.001 -12.528 1.00 0.00 H new ATOM 0 HG2 GLN A 77 14.383 -0.597 -14.644 1.00 0.00 H new ATOM 0 HG3 GLN A 77 15.635 0.629 -14.622 1.00 0.00 H new ATOM 0 HE21 GLN A 77 14.761 -1.741 -12.073 1.00 0.00 H new ATOM 0 HE22 GLN A 77 16.320 -2.573 -12.067 1.00 0.00 H new ATOM 1145 N ARG A 78 11.571 1.163 -13.760 1.00 0.00 N ATOM 1146 CA ARG A 78 10.383 0.907 -14.566 1.00 0.00 C ATOM 1147 C ARG A 78 9.133 0.859 -13.692 1.00 0.00 C ATOM 1148 O ARG A 78 9.215 0.611 -12.489 1.00 0.00 O ATOM 1149 CB ARG A 78 10.535 -0.410 -15.331 1.00 0.00 C ATOM 1150 CG ARG A 78 10.585 -1.634 -14.432 1.00 0.00 C ATOM 1151 CD ARG A 78 12.017 -2.054 -14.141 1.00 0.00 C ATOM 1152 NE ARG A 78 12.089 -3.396 -13.571 1.00 0.00 N ATOM 1153 CZ ARG A 78 13.164 -4.173 -13.653 1.00 0.00 C ATOM 1154 NH1 ARG A 78 14.250 -3.743 -14.279 1.00 0.00 N ATOM 1155 NH2 ARG A 78 13.152 -5.383 -13.108 1.00 0.00 N ATOM 0 H ARG A 78 11.509 0.829 -12.798 1.00 0.00 H new ATOM 0 HA ARG A 78 10.275 1.724 -15.279 1.00 0.00 H new ATOM 0 HB2 ARG A 78 9.702 -0.514 -16.027 1.00 0.00 H new ATOM 0 HB3 ARG A 78 11.446 -0.371 -15.928 1.00 0.00 H new ATOM 0 HG2 ARG A 78 10.070 -1.420 -13.495 1.00 0.00 H new ATOM 0 HG3 ARG A 78 10.053 -2.458 -14.907 1.00 0.00 H new ATOM 0 HD2 ARG A 78 12.599 -2.020 -15.062 1.00 0.00 H new ATOM 0 HD3 ARG A 78 12.470 -1.342 -13.451 1.00 0.00 H new ATOM 0 HE ARG A 78 11.269 -3.757 -13.083 1.00 0.00 H new ATOM 0 HH11 ARG A 78 14.262 -2.814 -14.699 1.00 0.00 H new ATOM 0 HH12 ARG A 78 15.074 -4.341 -14.341 1.00 0.00 H new ATOM 0 HH21 ARG A 78 12.317 -5.717 -12.626 1.00 0.00 H new ATOM 0 HH22 ARG A 78 13.977 -5.979 -13.171 1.00 0.00 H new ATOM 1169 N ILE A 79 7.980 1.099 -14.306 1.00 0.00 N ATOM 1170 CA ILE A 79 6.713 1.082 -13.584 1.00 0.00 C ATOM 1171 C ILE A 79 5.645 0.325 -14.365 1.00 0.00 C ATOM 1172 O ILE A 79 5.501 0.503 -15.574 1.00 0.00 O ATOM 1173 CB ILE A 79 6.210 2.509 -13.299 1.00 0.00 C ATOM 1174 CG1 ILE A 79 7.265 3.301 -12.524 1.00 0.00 C ATOM 1175 CG2 ILE A 79 4.900 2.464 -12.525 1.00 0.00 C ATOM 1176 CD1 ILE A 79 7.156 4.798 -12.712 1.00 0.00 C ATOM 0 H ILE A 79 7.896 1.307 -15.301 1.00 0.00 H new ATOM 0 HA ILE A 79 6.896 0.573 -12.637 1.00 0.00 H new ATOM 0 HB ILE A 79 6.032 3.012 -14.250 1.00 0.00 H new ATOM 0 HG12 ILE A 79 7.175 3.069 -11.463 1.00 0.00 H new ATOM 0 HG13 ILE A 79 8.256 2.975 -12.839 1.00 0.00 H new ATOM 0 HG21 ILE A 79 4.557 3.480 -12.331 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.149 1.933 -13.111 1.00 0.00 H new ATOM 0 HG23 ILE A 79 5.054 1.946 -11.578 1.00 0.00 H new ATOM 0 HD11 ILE A 79 7.935 5.295 -12.134 1.00 0.00 H new ATOM 0 HD12 ILE A 79 7.276 5.042 -13.768 1.00 0.00 H new ATOM 0 HD13 ILE A 79 6.178 5.137 -12.370 1.00 0.00 H new ATOM 1188 N GLY A 80 4.896 -0.521 -13.664 1.00 0.00 N ATOM 1189 CA GLY A 80 3.848 -1.292 -14.308 1.00 0.00 C ATOM 1190 C GLY A 80 3.477 -2.535 -13.523 1.00 0.00 C ATOM 1191 O GLY A 80 4.043 -2.801 -12.463 1.00 0.00 O ATOM 0 H GLY A 80 4.996 -0.686 -12.662 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.964 -0.666 -14.431 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.175 -1.581 -15.307 1.00 0.00 H new ATOM 1195 N LYS A 81 2.521 -3.297 -14.043 1.00 0.00 N ATOM 1196 CA LYS A 81 2.073 -4.519 -13.384 1.00 0.00 C ATOM 1197 C LYS A 81 2.916 -5.713 -13.820 1.00 0.00 C ATOM 1198 O LYS A 81 2.827 -6.771 -13.199 1.00 0.00 O ATOM 1199 CB LYS A 81 0.598 -4.781 -13.698 1.00 0.00 C ATOM 1200 CG LYS A 81 -0.334 -3.696 -13.186 1.00 0.00 C ATOM 1201 CD LYS A 81 -0.850 -4.016 -11.793 1.00 0.00 C ATOM 1202 CE LYS A 81 0.069 -3.458 -10.717 1.00 0.00 C ATOM 1203 NZ LYS A 81 1.101 -4.448 -10.301 1.00 0.00 N ATOM 0 H LYS A 81 2.041 -3.090 -14.919 1.00 0.00 H new ATOM 0 HA LYS A 81 2.191 -4.386 -12.309 1.00 0.00 H new ATOM 0 HB2 LYS A 81 0.476 -4.874 -14.777 1.00 0.00 H new ATOM 0 HB3 LYS A 81 0.306 -5.736 -13.261 1.00 0.00 H new ATOM 0 HG2 LYS A 81 0.192 -2.741 -13.170 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -1.175 -3.585 -13.870 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -1.850 -3.601 -11.670 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -0.937 -5.096 -11.675 1.00 0.00 H new ATOM 0 HE2 LYS A 81 0.558 -2.558 -11.088 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -0.523 -3.164 -9.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 0.938 -4.725 -9.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 1.041 -5.289 -10.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 2.046 -4.023 -10.390 1.00 0.00 H new