USER MOD reduce.3.24.130724 H: found=0, std=0, add=388, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 381 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 67 GLN : amide:sc= 0.168 K(o=0.74,f=-1.9!) USER MOD Set 1.2: A 69 TYR OH : rot 160:sc= 0.569 USER MOD Set 2.1: A 49 CYS SG : rot 2:sc= 0.647 USER MOD Set 2.2: A 52 CYS SG : rot -50:sc= 0.256 USER MOD Set 2.3: A 70 CYS SG : rot -60:sc= 0.656 USER MOD Set 2.4: A 73 CYS SG : rot 162:sc= -0.162 USER MOD Set 3.1: A 18 CYS SG : rot 140:sc= 0.31 USER MOD Set 3.2: A 21 CYS SG : rot -59:sc= -0.0743 USER MOD Set 3.3: A 43 HIS : no HE2:sc= -0.502 K(o=1.1,f=-0.75) USER MOD Set 3.4: A 45 TYR OH : rot -75:sc= 0.139 USER MOD Set 3.5: A 46 CYS SG : rot 55:sc= 1.25 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc=-0.00239 K(o=-0.0024,f=-0.7) USER MOD Single : A 41 SER OG : rot -14:sc= 0.546 USER MOD Single : A 48 HIS : no HE2:sc= -0.12 K(o=-0.12,f=-1.2) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= -0.0544 USER MOD Single : A 55 ASN : amide:sc= 0.00991 K(o=0.0099,f=-0.52) USER MOD Single : A 58 ASN : amide:sc=-0.00205 X(o=-0.0021,f=-0.2) USER MOD Single : A 59 LYS NZ :NH3+ -136:sc= -0.477 (180deg=-2.37!) USER MOD Single : A 64 HIS : no HD1:sc= -6.57! C(o=-6.6!,f=-8.3!) USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 214 N LYS A 17 -8.436 -1.897 -1.518 1.00 0.00 N ATOM 215 CA LYS A 17 -8.104 -2.609 -0.289 1.00 0.00 C ATOM 216 C LYS A 17 -6.598 -2.827 -0.177 1.00 0.00 C ATOM 217 O LYS A 17 -5.949 -3.250 -1.133 1.00 0.00 O ATOM 218 CB LYS A 17 -8.829 -3.955 -0.244 1.00 0.00 C ATOM 219 CG LYS A 17 -10.212 -3.880 0.380 1.00 0.00 C ATOM 220 CD LYS A 17 -11.251 -3.406 -0.622 1.00 0.00 C ATOM 221 CE LYS A 17 -11.640 -4.514 -1.589 1.00 0.00 C ATOM 222 NZ LYS A 17 -12.340 -3.981 -2.790 1.00 0.00 N ATOM 0 HA LYS A 17 -8.429 -2.000 0.554 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.918 -4.345 -1.258 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.224 -4.666 0.319 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.494 -4.862 0.761 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.191 -3.201 1.233 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -12.137 -3.057 -0.091 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.858 -2.556 -1.180 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.746 -5.055 -1.900 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.285 -5.230 -1.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -12.588 -4.767 -3.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -13.206 -3.486 -2.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -11.715 -3.317 -3.290 1.00 0.00 H new ATOM 236 N CYS A 18 -6.049 -2.536 0.998 1.00 0.00 N ATOM 237 CA CYS A 18 -4.621 -2.701 1.237 1.00 0.00 C ATOM 238 C CYS A 18 -4.165 -4.107 0.859 1.00 0.00 C ATOM 239 O CYS A 18 -4.873 -5.085 1.098 1.00 0.00 O ATOM 240 CB CYS A 18 -4.292 -2.423 2.705 1.00 0.00 C ATOM 241 SG CYS A 18 -2.509 -2.320 3.061 1.00 0.00 S ATOM 0 H CYS A 18 -6.573 -2.184 1.800 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.088 -1.985 0.611 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -4.765 -1.487 3.001 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -4.729 -3.210 3.320 1.00 0.00 H new ATOM 0 HG CYS A 18 -2.289 -1.350 3.899 1.00 0.00 H new ATOM 246 N ALA A 19 -2.978 -4.200 0.269 1.00 0.00 N ATOM 247 CA ALA A 19 -2.426 -5.486 -0.139 1.00 0.00 C ATOM 248 C ALA A 19 -1.496 -6.049 0.930 1.00 0.00 C ATOM 249 O ALA A 19 -0.612 -6.853 0.637 1.00 0.00 O ATOM 250 CB ALA A 19 -1.689 -5.348 -1.463 1.00 0.00 C ATOM 0 H ALA A 19 -2.380 -3.400 0.063 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.253 -6.184 -0.267 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.282 -6.316 -1.755 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.381 -4.998 -2.230 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.876 -4.631 -1.354 1.00 0.00 H new ATOM 256 N GLY A 20 -1.701 -5.620 2.172 1.00 0.00 N ATOM 257 CA GLY A 20 -0.871 -6.091 3.266 1.00 0.00 C ATOM 258 C GLY A 20 -1.690 -6.573 4.448 1.00 0.00 C ATOM 259 O GLY A 20 -1.390 -7.611 5.038 1.00 0.00 O ATOM 0 H GLY A 20 -2.427 -4.955 2.440 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -0.236 -6.903 2.913 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.210 -5.287 3.589 1.00 0.00 H new ATOM 263 N CYS A 21 -2.725 -5.816 4.796 1.00 0.00 N ATOM 264 CA CYS A 21 -3.588 -6.169 5.916 1.00 0.00 C ATOM 265 C CYS A 21 -4.965 -6.608 5.425 1.00 0.00 C ATOM 266 O CYS A 21 -5.760 -7.161 6.185 1.00 0.00 O ATOM 267 CB CYS A 21 -3.730 -4.983 6.872 1.00 0.00 C ATOM 268 SG CYS A 21 -4.321 -3.454 6.077 1.00 0.00 S ATOM 0 H CYS A 21 -2.986 -4.954 4.318 1.00 0.00 H new ATOM 0 HA CYS A 21 -3.128 -7.002 6.447 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -4.420 -5.255 7.671 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -2.764 -4.788 7.338 1.00 0.00 H new ATOM 0 HG CYS A 21 -3.498 -3.111 5.131 1.00 0.00 H new ATOM 273 N LYS A 22 -5.239 -6.358 4.150 1.00 0.00 N ATOM 274 CA LYS A 22 -6.518 -6.728 3.555 1.00 0.00 C ATOM 275 C LYS A 22 -7.664 -5.969 4.214 1.00 0.00 C ATOM 276 O LYS A 22 -8.614 -6.571 4.714 1.00 0.00 O ATOM 277 CB LYS A 22 -6.748 -8.235 3.687 1.00 0.00 C ATOM 278 CG LYS A 22 -5.542 -9.072 3.294 1.00 0.00 C ATOM 279 CD LYS A 22 -5.212 -8.915 1.819 1.00 0.00 C ATOM 280 CE LYS A 22 -6.118 -9.774 0.951 1.00 0.00 C ATOM 281 NZ LYS A 22 -5.552 -9.977 -0.412 1.00 0.00 N ATOM 0 H LYS A 22 -4.592 -5.900 3.508 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.489 -6.462 2.498 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.018 -8.464 4.718 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.596 -8.520 3.065 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.681 -8.776 3.894 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -5.739 -10.121 3.514 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -5.316 -7.869 1.531 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -4.172 -9.191 1.646 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -6.268 -10.742 1.430 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -7.098 -9.303 0.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -6.199 -10.567 -0.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -5.432 -9.055 -0.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.629 -10.450 -0.338 1.00 0.00 H new ATOM 295 N ASN A 23 -7.570 -4.643 4.210 1.00 0.00 N ATOM 296 CA ASN A 23 -8.600 -3.801 4.807 1.00 0.00 C ATOM 297 C ASN A 23 -8.860 -2.567 3.948 1.00 0.00 C ATOM 298 O ASN A 23 -8.041 -2.176 3.116 1.00 0.00 O ATOM 299 CB ASN A 23 -8.188 -3.377 6.218 1.00 0.00 C ATOM 300 CG ASN A 23 -8.628 -4.373 7.273 1.00 0.00 C ATOM 301 OD1 ASN A 23 -9.804 -4.730 7.353 1.00 0.00 O ATOM 302 ND2 ASN A 23 -7.684 -4.827 8.089 1.00 0.00 N ATOM 0 H ASN A 23 -6.791 -4.129 3.800 1.00 0.00 H new ATOM 0 HA ASN A 23 -9.520 -4.382 4.864 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -7.105 -3.264 6.259 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -8.619 -2.401 6.441 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -7.921 -5.499 8.819 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -6.722 -4.504 7.986 1.00 0.00 H new ATOM 309 N PRO A 24 -10.026 -1.937 4.154 1.00 0.00 N ATOM 310 CA PRO A 24 -10.420 -0.738 3.409 1.00 0.00 C ATOM 311 C PRO A 24 -9.584 0.480 3.788 1.00 0.00 C ATOM 312 O PRO A 24 -9.321 0.722 4.966 1.00 0.00 O ATOM 313 CB PRO A 24 -11.881 -0.531 3.817 1.00 0.00 C ATOM 314 CG PRO A 24 -11.997 -1.180 5.153 1.00 0.00 C ATOM 315 CD PRO A 24 -11.050 -2.348 5.129 1.00 0.00 C ATOM 0 HA PRO A 24 -10.276 -0.859 2.335 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -12.131 0.529 3.869 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -12.561 -0.984 3.096 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -11.737 -0.483 5.950 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -13.019 -1.510 5.339 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -10.617 -2.535 6.112 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -11.552 -3.266 4.822 1.00 0.00 H new ATOM 323 N ILE A 25 -9.169 1.243 2.782 1.00 0.00 N ATOM 324 CA ILE A 25 -8.364 2.436 3.011 1.00 0.00 C ATOM 325 C ILE A 25 -9.237 3.685 3.071 1.00 0.00 C ATOM 326 O ILE A 25 -9.222 4.512 2.158 1.00 0.00 O ATOM 327 CB ILE A 25 -7.302 2.618 1.910 1.00 0.00 C ATOM 328 CG1 ILE A 25 -6.541 1.310 1.683 1.00 0.00 C ATOM 329 CG2 ILE A 25 -6.341 3.738 2.281 1.00 0.00 C ATOM 330 CD1 ILE A 25 -5.487 1.403 0.602 1.00 0.00 C ATOM 0 H ILE A 25 -9.377 1.056 1.801 1.00 0.00 H new ATOM 0 HA ILE A 25 -7.863 2.300 3.969 1.00 0.00 H new ATOM 0 HB ILE A 25 -7.805 2.889 0.982 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.066 1.009 2.617 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.252 0.527 1.420 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -5.597 3.854 1.493 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -6.895 4.669 2.397 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -5.842 3.493 3.219 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -4.988 0.440 0.496 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -5.958 1.674 -0.343 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.754 2.163 0.873 1.00 0.00 H new ATOM 441 N VAL A 34 -0.702 7.698 2.399 1.00 0.00 N ATOM 442 CA VAL A 34 -0.925 6.347 1.900 1.00 0.00 C ATOM 443 C VAL A 34 -0.248 6.141 0.549 1.00 0.00 C ATOM 444 O VAL A 34 -0.150 7.067 -0.255 1.00 0.00 O ATOM 445 CB VAL A 34 -2.428 6.041 1.761 1.00 0.00 C ATOM 446 CG1 VAL A 34 -3.055 6.920 0.689 1.00 0.00 C ATOM 447 CG2 VAL A 34 -2.645 4.568 1.448 1.00 0.00 C ATOM 0 HA VAL A 34 -0.489 5.664 2.629 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.916 6.263 2.710 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.117 6.690 0.605 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.931 7.969 0.960 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.566 6.732 -0.267 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.713 4.370 1.353 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.145 4.317 0.513 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.233 3.960 2.254 1.00 0.00 H new ATOM 457 N VAL A 35 0.216 4.919 0.307 1.00 0.00 N ATOM 458 CA VAL A 35 0.883 4.590 -0.948 1.00 0.00 C ATOM 459 C VAL A 35 -0.098 3.996 -1.952 1.00 0.00 C ATOM 460 O VAL A 35 -0.973 3.210 -1.590 1.00 0.00 O ATOM 461 CB VAL A 35 2.038 3.596 -0.726 1.00 0.00 C ATOM 462 CG1 VAL A 35 2.845 3.421 -2.003 1.00 0.00 C ATOM 463 CG2 VAL A 35 2.928 4.061 0.418 1.00 0.00 C ATOM 0 H VAL A 35 0.143 4.141 0.963 1.00 0.00 H new ATOM 0 HA VAL A 35 1.286 5.521 -1.346 1.00 0.00 H new ATOM 0 HB VAL A 35 1.615 2.628 -0.457 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.657 2.715 -1.827 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.198 3.040 -2.793 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.260 4.382 -2.306 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.739 3.347 0.561 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.344 5.040 0.180 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.339 4.129 1.333 1.00 0.00 H new ATOM 473 N ALA A 36 0.054 4.378 -3.216 1.00 0.00 N ATOM 474 CA ALA A 36 -0.818 3.881 -4.274 1.00 0.00 C ATOM 475 C ALA A 36 -0.005 3.306 -5.429 1.00 0.00 C ATOM 476 O ALA A 36 1.027 3.859 -5.810 1.00 0.00 O ATOM 477 CB ALA A 36 -1.732 4.992 -4.770 1.00 0.00 C ATOM 0 H ALA A 36 0.772 5.030 -3.532 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.431 3.080 -3.861 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.377 4.607 -5.560 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.345 5.355 -3.945 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.129 5.811 -5.161 1.00 0.00 H new ATOM 543 N SER A 41 -2.393 -0.691 -3.376 1.00 0.00 N ATOM 544 CA SER A 41 -2.136 0.410 -2.456 1.00 0.00 C ATOM 545 C SER A 41 -1.788 -0.113 -1.066 1.00 0.00 C ATOM 546 O SER A 41 -2.344 -1.112 -0.610 1.00 0.00 O ATOM 547 CB SER A 41 -3.355 1.331 -2.375 1.00 0.00 C ATOM 548 OG SER A 41 -4.554 0.611 -2.608 1.00 0.00 O ATOM 0 HA SER A 41 -1.286 0.976 -2.836 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.395 1.802 -1.393 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.259 2.132 -3.108 1.00 0.00 H new ATOM 0 HG SER A 41 -4.340 -0.265 -2.991 1.00 0.00 H new ATOM 554 N TRP A 42 -0.864 0.568 -0.398 1.00 0.00 N ATOM 555 CA TRP A 42 -0.440 0.172 0.940 1.00 0.00 C ATOM 556 C TRP A 42 -0.505 1.353 1.903 1.00 0.00 C ATOM 557 O TRP A 42 -0.273 2.498 1.513 1.00 0.00 O ATOM 558 CB TRP A 42 0.981 -0.393 0.901 1.00 0.00 C ATOM 559 CG TRP A 42 1.063 -1.749 0.268 1.00 0.00 C ATOM 560 CD1 TRP A 42 1.230 -2.944 0.908 1.00 0.00 C ATOM 561 CD2 TRP A 42 0.986 -2.048 -1.130 1.00 0.00 C ATOM 562 NE1 TRP A 42 1.260 -3.968 -0.007 1.00 0.00 N ATOM 563 CE2 TRP A 42 1.111 -3.445 -1.265 1.00 0.00 C ATOM 564 CE3 TRP A 42 0.820 -1.273 -2.281 1.00 0.00 C ATOM 565 CZ2 TRP A 42 1.078 -4.079 -2.504 1.00 0.00 C ATOM 566 CZ3 TRP A 42 0.786 -1.903 -3.510 1.00 0.00 C ATOM 567 CH2 TRP A 42 0.914 -3.295 -3.614 1.00 0.00 C ATOM 0 H TRP A 42 -0.394 1.397 -0.761 1.00 0.00 H new ATOM 0 HA TRP A 42 -1.121 -0.601 1.296 1.00 0.00 H new ATOM 0 HB2 TRP A 42 1.623 0.296 0.352 1.00 0.00 H new ATOM 0 HB3 TRP A 42 1.370 -0.450 1.918 1.00 0.00 H new ATOM 0 HD1 TRP A 42 1.325 -3.066 1.977 1.00 0.00 H new ATOM 0 HE1 TRP A 42 1.375 -4.957 0.214 1.00 0.00 H new ATOM 0 HE3 TRP A 42 0.720 -0.200 -2.211 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 1.178 -5.151 -2.586 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 0.659 -1.313 -4.406 1.00 0.00 H new ATOM 0 HH2 TRP A 42 0.883 -3.758 -4.589 1.00 0.00 H new ATOM 578 N HIS A 43 -0.820 1.067 3.162 1.00 0.00 N ATOM 579 CA HIS A 43 -0.914 2.107 4.181 1.00 0.00 C ATOM 580 C HIS A 43 0.467 2.656 4.526 1.00 0.00 C ATOM 581 O HIS A 43 1.487 2.047 4.201 1.00 0.00 O ATOM 582 CB HIS A 43 -1.586 1.557 5.440 1.00 0.00 C ATOM 583 CG HIS A 43 -3.050 1.291 5.270 1.00 0.00 C ATOM 584 ND1 HIS A 43 -3.609 0.038 5.411 1.00 0.00 N ATOM 585 CD2 HIS A 43 -4.073 2.126 4.969 1.00 0.00 C ATOM 586 CE1 HIS A 43 -4.911 0.114 5.204 1.00 0.00 C ATOM 587 NE2 HIS A 43 -5.218 1.370 4.934 1.00 0.00 N ATOM 0 H HIS A 43 -1.014 0.125 3.501 1.00 0.00 H new ATOM 0 HA HIS A 43 -1.519 2.920 3.780 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.089 0.632 5.733 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -1.446 2.266 6.256 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -3.097 -0.814 5.639 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -4.001 3.189 4.790 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -5.607 -0.711 5.248 1.00 0.00 H new ATOM 595 N ASP A 44 0.492 3.809 5.184 1.00 0.00 N ATOM 596 CA ASP A 44 1.748 4.441 5.574 1.00 0.00 C ATOM 597 C ASP A 44 2.515 3.563 6.557 1.00 0.00 C ATOM 598 O ASP A 44 3.739 3.649 6.658 1.00 0.00 O ATOM 599 CB ASP A 44 1.482 5.813 6.195 1.00 0.00 C ATOM 600 CG ASP A 44 2.666 6.326 6.991 1.00 0.00 C ATOM 601 OD1 ASP A 44 3.573 6.930 6.382 1.00 0.00 O ATOM 602 OD2 ASP A 44 2.685 6.124 8.223 1.00 0.00 O ATOM 0 H ASP A 44 -0.343 4.326 5.459 1.00 0.00 H new ATOM 0 HA ASP A 44 2.356 4.569 4.678 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.242 6.526 5.406 1.00 0.00 H new ATOM 0 HB3 ASP A 44 0.609 5.752 6.845 1.00 0.00 H new ATOM 607 N TYR A 45 1.788 2.720 7.281 1.00 0.00 N ATOM 608 CA TYR A 45 2.400 1.829 8.260 1.00 0.00 C ATOM 609 C TYR A 45 2.564 0.423 7.690 1.00 0.00 C ATOM 610 O TYR A 45 3.345 -0.380 8.200 1.00 0.00 O ATOM 611 CB TYR A 45 1.554 1.779 9.534 1.00 0.00 C ATOM 612 CG TYR A 45 0.092 1.488 9.280 1.00 0.00 C ATOM 613 CD1 TYR A 45 -0.375 0.182 9.215 1.00 0.00 C ATOM 614 CD2 TYR A 45 -0.821 2.520 9.103 1.00 0.00 C ATOM 615 CE1 TYR A 45 -1.710 -0.089 8.982 1.00 0.00 C ATOM 616 CE2 TYR A 45 -2.157 2.260 8.871 1.00 0.00 C ATOM 617 CZ TYR A 45 -2.597 0.954 8.811 1.00 0.00 C ATOM 618 OH TYR A 45 -3.928 0.690 8.579 1.00 0.00 O ATOM 0 H TYR A 45 0.774 2.635 7.209 1.00 0.00 H new ATOM 0 HA TYR A 45 3.388 2.221 8.502 1.00 0.00 H new ATOM 0 HB2 TYR A 45 1.958 1.015 10.198 1.00 0.00 H new ATOM 0 HB3 TYR A 45 1.641 2.732 10.055 1.00 0.00 H new ATOM 0 HD1 TYR A 45 0.317 -0.636 9.349 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -0.480 3.544 9.148 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -2.057 -1.111 8.934 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -2.854 3.074 8.737 1.00 0.00 H new ATOM 0 HH TYR A 45 -4.045 0.384 7.655 1.00 0.00 H new ATOM 628 N CYS A 46 1.821 0.133 6.627 1.00 0.00 N ATOM 629 CA CYS A 46 1.882 -1.175 5.985 1.00 0.00 C ATOM 630 C CYS A 46 3.026 -1.233 4.977 1.00 0.00 C ATOM 631 O CYS A 46 3.695 -2.257 4.839 1.00 0.00 O ATOM 632 CB CYS A 46 0.557 -1.485 5.286 1.00 0.00 C ATOM 633 SG CYS A 46 -0.751 -2.085 6.404 1.00 0.00 S ATOM 0 H CYS A 46 1.170 0.786 6.192 1.00 0.00 H new ATOM 0 HA CYS A 46 2.062 -1.923 6.757 1.00 0.00 H new ATOM 0 HB2 CYS A 46 0.205 -0.585 4.782 1.00 0.00 H new ATOM 0 HB3 CYS A 46 0.732 -2.234 4.514 1.00 0.00 H new ATOM 0 HG CYS A 46 -0.920 -1.232 7.371 1.00 0.00 H new ATOM 638 N PHE A 47 3.247 -0.126 4.275 1.00 0.00 N ATOM 639 CA PHE A 47 4.309 -0.050 3.280 1.00 0.00 C ATOM 640 C PHE A 47 5.682 -0.116 3.944 1.00 0.00 C ATOM 641 O PHE A 47 6.193 0.889 4.440 1.00 0.00 O ATOM 642 CB PHE A 47 4.185 1.240 2.467 1.00 0.00 C ATOM 643 CG PHE A 47 4.757 1.133 1.082 1.00 0.00 C ATOM 644 CD1 PHE A 47 4.319 0.148 0.212 1.00 0.00 C ATOM 645 CD2 PHE A 47 5.732 2.018 0.651 1.00 0.00 C ATOM 646 CE1 PHE A 47 4.842 0.048 -1.064 1.00 0.00 C ATOM 647 CE2 PHE A 47 6.259 1.922 -0.623 1.00 0.00 C ATOM 648 CZ PHE A 47 5.815 0.935 -1.481 1.00 0.00 C ATOM 0 H PHE A 47 2.704 0.731 4.378 1.00 0.00 H new ATOM 0 HA PHE A 47 4.207 -0.904 2.610 1.00 0.00 H new ATOM 0 HB2 PHE A 47 3.133 1.516 2.397 1.00 0.00 H new ATOM 0 HB3 PHE A 47 4.691 2.046 2.999 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.560 -0.550 0.534 1.00 0.00 H new ATOM 0 HD2 PHE A 47 6.084 2.791 1.318 1.00 0.00 H new ATOM 0 HE1 PHE A 47 4.490 -0.723 -1.734 1.00 0.00 H new ATOM 0 HE2 PHE A 47 7.018 2.619 -0.948 1.00 0.00 H new ATOM 0 HZ PHE A 47 6.228 0.857 -2.476 1.00 0.00 H new ATOM 658 N HIS A 48 6.274 -1.306 3.949 1.00 0.00 N ATOM 659 CA HIS A 48 7.587 -1.504 4.551 1.00 0.00 C ATOM 660 C HIS A 48 8.260 -2.753 3.989 1.00 0.00 C ATOM 661 O HIS A 48 7.589 -3.693 3.561 1.00 0.00 O ATOM 662 CB HIS A 48 7.463 -1.618 6.071 1.00 0.00 C ATOM 663 CG HIS A 48 6.425 -2.603 6.515 1.00 0.00 C ATOM 664 ND1 HIS A 48 5.349 -2.258 7.305 1.00 0.00 N ATOM 665 CD2 HIS A 48 6.302 -3.929 6.273 1.00 0.00 C ATOM 666 CE1 HIS A 48 4.610 -3.329 7.532 1.00 0.00 C ATOM 667 NE2 HIS A 48 5.167 -4.357 6.916 1.00 0.00 N ATOM 0 H HIS A 48 5.865 -2.148 3.543 1.00 0.00 H new ATOM 0 HA HIS A 48 8.204 -0.639 4.308 1.00 0.00 H new ATOM 0 HB2 HIS A 48 8.428 -1.908 6.485 1.00 0.00 H new ATOM 0 HB3 HIS A 48 7.221 -0.638 6.482 1.00 0.00 H new ATOM 0 HD1 HIS A 48 5.154 -1.322 7.659 1.00 0.00 H new ATOM 0 HD2 HIS A 48 6.972 -4.537 5.684 1.00 0.00 H new ATOM 0 HE1 HIS A 48 3.705 -3.359 8.121 1.00 0.00 H new ATOM 675 N CYS A 49 9.589 -2.755 3.993 1.00 0.00 N ATOM 676 CA CYS A 49 10.353 -3.887 3.482 1.00 0.00 C ATOM 677 C CYS A 49 9.886 -5.192 4.122 1.00 0.00 C ATOM 678 O CYS A 49 9.412 -5.205 5.258 1.00 0.00 O ATOM 679 CB CYS A 49 11.846 -3.682 3.748 1.00 0.00 C ATOM 680 SG CYS A 49 12.928 -4.829 2.834 1.00 0.00 S ATOM 0 H CYS A 49 10.159 -1.986 4.344 1.00 0.00 H new ATOM 0 HA CYS A 49 10.187 -3.950 2.407 1.00 0.00 H new ATOM 0 HB2 CYS A 49 12.114 -2.659 3.485 1.00 0.00 H new ATOM 0 HB3 CYS A 49 12.033 -3.796 4.816 1.00 0.00 H new ATOM 0 HG CYS A 49 12.204 -5.599 2.077 1.00 0.00 H new ATOM 685 N LYS A 50 10.024 -6.288 3.384 1.00 0.00 N ATOM 686 CA LYS A 50 9.618 -7.599 3.877 1.00 0.00 C ATOM 687 C LYS A 50 10.827 -8.400 4.349 1.00 0.00 C ATOM 688 O LYS A 50 10.791 -9.630 4.393 1.00 0.00 O ATOM 689 CB LYS A 50 8.877 -8.371 2.783 1.00 0.00 C ATOM 690 CG LYS A 50 7.887 -9.390 3.322 1.00 0.00 C ATOM 691 CD LYS A 50 6.712 -8.716 4.010 1.00 0.00 C ATOM 692 CE LYS A 50 5.465 -9.586 3.963 1.00 0.00 C ATOM 693 NZ LYS A 50 4.428 -9.121 4.925 1.00 0.00 N ATOM 0 H LYS A 50 10.414 -6.295 2.442 1.00 0.00 H new ATOM 0 HA LYS A 50 8.949 -7.450 4.725 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.347 -7.663 2.146 1.00 0.00 H new ATOM 0 HB3 LYS A 50 9.605 -8.882 2.154 1.00 0.00 H new ATOM 0 HG2 LYS A 50 7.523 -10.013 2.505 1.00 0.00 H new ATOM 0 HG3 LYS A 50 8.391 -10.052 4.026 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.970 -8.503 5.048 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.508 -7.759 3.530 1.00 0.00 H new ATOM 0 HE2 LYS A 50 5.054 -9.577 2.954 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.733 -10.618 4.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 3.594 -9.740 4.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.811 -9.153 5.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 4.153 -8.145 4.694 1.00 0.00 H new ATOM 707 N LYS A 51 11.896 -7.696 4.704 1.00 0.00 N ATOM 708 CA LYS A 51 13.115 -8.341 5.177 1.00 0.00 C ATOM 709 C LYS A 51 13.642 -7.654 6.433 1.00 0.00 C ATOM 710 O LYS A 51 13.796 -8.285 7.479 1.00 0.00 O ATOM 711 CB LYS A 51 14.186 -8.318 4.083 1.00 0.00 C ATOM 712 CG LYS A 51 15.142 -9.496 4.143 1.00 0.00 C ATOM 713 CD LYS A 51 15.885 -9.678 2.830 1.00 0.00 C ATOM 714 CE LYS A 51 16.299 -11.127 2.620 1.00 0.00 C ATOM 715 NZ LYS A 51 17.302 -11.569 3.628 1.00 0.00 N ATOM 0 H LYS A 51 11.943 -6.678 4.673 1.00 0.00 H new ATOM 0 HA LYS A 51 12.877 -9.376 5.423 1.00 0.00 H new ATOM 0 HB2 LYS A 51 13.698 -8.306 3.109 1.00 0.00 H new ATOM 0 HB3 LYS A 51 14.757 -7.393 4.165 1.00 0.00 H new ATOM 0 HG2 LYS A 51 15.859 -9.343 4.950 1.00 0.00 H new ATOM 0 HG3 LYS A 51 14.587 -10.405 4.377 1.00 0.00 H new ATOM 0 HD2 LYS A 51 15.251 -9.356 2.004 1.00 0.00 H new ATOM 0 HD3 LYS A 51 16.769 -9.041 2.820 1.00 0.00 H new ATOM 0 HE2 LYS A 51 15.419 -11.768 2.678 1.00 0.00 H new ATOM 0 HE3 LYS A 51 16.714 -11.245 1.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 17.558 -12.561 3.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 18.152 -10.974 3.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 16.897 -11.481 4.582 1.00 0.00 H new ATOM 729 N CYS A 52 13.915 -6.359 6.323 1.00 0.00 N ATOM 730 CA CYS A 52 14.424 -5.586 7.450 1.00 0.00 C ATOM 731 C CYS A 52 13.295 -4.828 8.143 1.00 0.00 C ATOM 732 O CYS A 52 13.469 -4.305 9.244 1.00 0.00 O ATOM 733 CB CYS A 52 15.498 -4.603 6.979 1.00 0.00 C ATOM 734 SG CYS A 52 14.914 -3.402 5.740 1.00 0.00 S ATOM 0 H CYS A 52 13.792 -5.822 5.465 1.00 0.00 H new ATOM 0 HA CYS A 52 14.865 -6.281 8.165 1.00 0.00 H new ATOM 0 HB2 CYS A 52 15.883 -4.060 7.843 1.00 0.00 H new ATOM 0 HB3 CYS A 52 16.332 -5.166 6.559 1.00 0.00 H new ATOM 0 HG CYS A 52 14.292 -4.030 4.787 1.00 0.00 H new ATOM 739 N SER A 53 12.138 -4.774 7.491 1.00 0.00 N ATOM 740 CA SER A 53 10.982 -4.077 8.042 1.00 0.00 C ATOM 741 C SER A 53 11.266 -2.586 8.191 1.00 0.00 C ATOM 742 O SER A 53 11.190 -2.034 9.289 1.00 0.00 O ATOM 743 CB SER A 53 10.600 -4.673 9.399 1.00 0.00 C ATOM 744 OG SER A 53 10.887 -6.060 9.446 1.00 0.00 O ATOM 0 H SER A 53 11.976 -5.205 6.581 1.00 0.00 H new ATOM 0 HA SER A 53 10.149 -4.203 7.350 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.144 -4.159 10.192 1.00 0.00 H new ATOM 0 HB3 SER A 53 9.538 -4.512 9.585 1.00 0.00 H new ATOM 0 HG SER A 53 10.636 -6.417 10.324 1.00 0.00 H new ATOM 750 N VAL A 54 11.594 -1.938 7.077 1.00 0.00 N ATOM 751 CA VAL A 54 11.889 -0.510 7.082 1.00 0.00 C ATOM 752 C VAL A 54 10.745 0.289 6.467 1.00 0.00 C ATOM 753 O VAL A 54 10.098 -0.161 5.522 1.00 0.00 O ATOM 754 CB VAL A 54 13.187 -0.203 6.312 1.00 0.00 C ATOM 755 CG1 VAL A 54 13.016 -0.510 4.832 1.00 0.00 C ATOM 756 CG2 VAL A 54 13.598 1.247 6.520 1.00 0.00 C ATOM 0 H VAL A 54 11.662 -2.379 6.160 1.00 0.00 H new ATOM 0 HA VAL A 54 12.015 -0.216 8.124 1.00 0.00 H new ATOM 0 HB VAL A 54 13.980 -0.842 6.701 1.00 0.00 H new ATOM 0 HG11 VAL A 54 13.943 -0.287 4.305 1.00 0.00 H new ATOM 0 HG12 VAL A 54 12.771 -1.565 4.705 1.00 0.00 H new ATOM 0 HG13 VAL A 54 12.211 0.101 4.424 1.00 0.00 H new ATOM 0 HG21 VAL A 54 14.517 1.447 5.969 1.00 0.00 H new ATOM 0 HG22 VAL A 54 12.808 1.905 6.158 1.00 0.00 H new ATOM 0 HG23 VAL A 54 13.764 1.429 7.582 1.00 0.00 H new ATOM 766 N ASN A 55 10.502 1.477 7.010 1.00 0.00 N ATOM 767 CA ASN A 55 9.436 2.341 6.515 1.00 0.00 C ATOM 768 C ASN A 55 9.810 2.948 5.166 1.00 0.00 C ATOM 769 O ASN A 55 10.699 3.797 5.081 1.00 0.00 O ATOM 770 CB ASN A 55 9.141 3.452 7.524 1.00 0.00 C ATOM 771 CG ASN A 55 7.931 4.280 7.135 1.00 0.00 C ATOM 772 OD1 ASN A 55 8.060 5.333 6.511 1.00 0.00 O ATOM 773 ND2 ASN A 55 6.747 3.806 7.504 1.00 0.00 N ATOM 0 H ASN A 55 11.029 1.864 7.793 1.00 0.00 H new ATOM 0 HA ASN A 55 8.541 1.733 6.384 1.00 0.00 H new ATOM 0 HB2 ASN A 55 8.976 3.012 8.507 1.00 0.00 H new ATOM 0 HB3 ASN A 55 10.011 4.103 7.609 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.897 4.319 7.271 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.687 2.928 8.020 1.00 0.00 H new ATOM 780 N LEU A 56 9.126 2.510 4.116 1.00 0.00 N ATOM 781 CA LEU A 56 9.385 3.011 2.770 1.00 0.00 C ATOM 782 C LEU A 56 8.205 3.830 2.257 1.00 0.00 C ATOM 783 O LEU A 56 8.026 3.989 1.051 1.00 0.00 O ATOM 784 CB LEU A 56 9.666 1.848 1.817 1.00 0.00 C ATOM 785 CG LEU A 56 10.882 0.983 2.153 1.00 0.00 C ATOM 786 CD1 LEU A 56 10.815 -0.343 1.410 1.00 0.00 C ATOM 787 CD2 LEU A 56 12.170 1.720 1.818 1.00 0.00 C ATOM 0 H LEU A 56 8.387 1.809 4.170 1.00 0.00 H new ATOM 0 HA LEU A 56 10.261 3.658 2.812 1.00 0.00 H new ATOM 0 HB2 LEU A 56 8.785 1.206 1.789 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.798 2.251 0.813 1.00 0.00 H new ATOM 0 HG LEU A 56 10.873 0.777 3.223 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.688 -0.945 1.661 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.910 -0.877 1.700 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.799 -0.158 0.336 1.00 0.00 H new ATOM 0 HD21 LEU A 56 13.024 1.089 2.064 1.00 0.00 H new ATOM 0 HD22 LEU A 56 12.188 1.957 0.754 1.00 0.00 H new ATOM 0 HD23 LEU A 56 12.222 2.643 2.396 1.00 0.00 H new ATOM 799 N ALA A 57 7.405 4.349 3.183 1.00 0.00 N ATOM 800 CA ALA A 57 6.245 5.156 2.825 1.00 0.00 C ATOM 801 C ALA A 57 6.660 6.398 2.044 1.00 0.00 C ATOM 802 O ALA A 57 7.392 7.246 2.552 1.00 0.00 O ATOM 803 CB ALA A 57 5.470 5.550 4.073 1.00 0.00 C ATOM 0 H ALA A 57 7.539 4.225 4.187 1.00 0.00 H new ATOM 0 HA ALA A 57 5.599 4.555 2.185 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.607 6.152 3.790 1.00 0.00 H new ATOM 0 HB2 ALA A 57 5.132 4.652 4.590 1.00 0.00 H new ATOM 0 HB3 ALA A 57 6.115 6.129 4.734 1.00 0.00 H new ATOM 809 N ASN A 58 6.188 6.497 0.805 1.00 0.00 N ATOM 810 CA ASN A 58 6.512 7.636 -0.047 1.00 0.00 C ATOM 811 C ASN A 58 8.012 7.703 -0.318 1.00 0.00 C ATOM 812 O ASN A 58 8.558 8.773 -0.591 1.00 0.00 O ATOM 813 CB ASN A 58 6.042 8.938 0.605 1.00 0.00 C ATOM 814 CG ASN A 58 4.617 8.846 1.118 1.00 0.00 C ATOM 815 OD1 ASN A 58 3.767 8.197 0.508 1.00 0.00 O ATOM 816 ND2 ASN A 58 4.351 9.497 2.244 1.00 0.00 N ATOM 0 H ASN A 58 5.581 5.803 0.369 1.00 0.00 H new ATOM 0 HA ASN A 58 5.994 7.506 -0.997 1.00 0.00 H new ATOM 0 HB2 ASN A 58 6.707 9.188 1.431 1.00 0.00 H new ATOM 0 HB3 ASN A 58 6.113 9.750 -0.119 1.00 0.00 H new ATOM 0 HD21 ASN A 58 3.410 9.472 2.638 1.00 0.00 H new ATOM 0 HD22 ASN A 58 5.087 10.022 2.716 1.00 0.00 H new ATOM 823 N LYS A 59 8.674 6.554 -0.242 1.00 0.00 N ATOM 824 CA LYS A 59 10.110 6.480 -0.480 1.00 0.00 C ATOM 825 C LYS A 59 10.421 5.537 -1.639 1.00 0.00 C ATOM 826 O LYS A 59 9.515 5.016 -2.288 1.00 0.00 O ATOM 827 CB LYS A 59 10.834 6.009 0.783 1.00 0.00 C ATOM 828 CG LYS A 59 10.765 7.002 1.930 1.00 0.00 C ATOM 829 CD LYS A 59 11.399 6.442 3.192 1.00 0.00 C ATOM 830 CE LYS A 59 12.914 6.568 3.158 1.00 0.00 C ATOM 831 NZ LYS A 59 13.544 5.471 2.371 1.00 0.00 N ATOM 0 H LYS A 59 8.238 5.660 -0.017 1.00 0.00 H new ATOM 0 HA LYS A 59 10.462 7.478 -0.742 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.403 5.062 1.107 1.00 0.00 H new ATOM 0 HB3 LYS A 59 11.880 5.817 0.542 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.272 7.924 1.645 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.724 7.259 2.128 1.00 0.00 H new ATOM 0 HD2 LYS A 59 11.008 6.970 4.062 1.00 0.00 H new ATOM 0 HD3 LYS A 59 11.123 5.394 3.305 1.00 0.00 H new ATOM 0 HE2 LYS A 59 13.189 7.530 2.725 1.00 0.00 H new ATOM 0 HE3 LYS A 59 13.303 6.554 4.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 14.372 5.107 2.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 12.857 4.703 2.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 13.844 5.836 1.444 1.00 0.00 H new ATOM 845 N ARG A 60 11.708 5.322 -1.891 1.00 0.00 N ATOM 846 CA ARG A 60 12.138 4.441 -2.971 1.00 0.00 C ATOM 847 C ARG A 60 12.076 2.979 -2.538 1.00 0.00 C ATOM 848 O ARG A 60 12.441 2.638 -1.413 1.00 0.00 O ATOM 849 CB ARG A 60 13.561 4.794 -3.409 1.00 0.00 C ATOM 850 CG ARG A 60 14.059 3.967 -4.583 1.00 0.00 C ATOM 851 CD ARG A 60 15.533 4.222 -4.858 1.00 0.00 C ATOM 852 NE ARG A 60 15.732 5.320 -5.801 1.00 0.00 N ATOM 853 CZ ARG A 60 15.527 5.211 -7.109 1.00 0.00 C ATOM 854 NH1 ARG A 60 15.119 4.061 -7.626 1.00 0.00 N ATOM 855 NH2 ARG A 60 15.730 6.256 -7.902 1.00 0.00 N ATOM 0 H ARG A 60 12.471 5.745 -1.363 1.00 0.00 H new ATOM 0 HA ARG A 60 11.460 4.582 -3.813 1.00 0.00 H new ATOM 0 HB2 ARG A 60 13.598 5.850 -3.677 1.00 0.00 H new ATOM 0 HB3 ARG A 60 14.237 4.656 -2.565 1.00 0.00 H new ATOM 0 HG2 ARG A 60 13.904 2.908 -4.375 1.00 0.00 H new ATOM 0 HG3 ARG A 60 13.475 4.206 -5.472 1.00 0.00 H new ATOM 0 HD2 ARG A 60 16.042 4.451 -3.922 1.00 0.00 H new ATOM 0 HD3 ARG A 60 15.990 3.316 -5.255 1.00 0.00 H new ATOM 0 HE ARG A 60 16.045 6.219 -5.435 1.00 0.00 H new ATOM 0 HH11 ARG A 60 14.961 3.256 -7.019 1.00 0.00 H new ATOM 0 HH12 ARG A 60 14.962 3.981 -8.631 1.00 0.00 H new ATOM 0 HH21 ARG A 60 16.043 7.143 -7.507 1.00 0.00 H new ATOM 0 HH22 ARG A 60 15.573 6.172 -8.906 1.00 0.00 H new ATOM 869 N PHE A 61 11.610 2.121 -3.439 1.00 0.00 N ATOM 870 CA PHE A 61 11.498 0.696 -3.150 1.00 0.00 C ATOM 871 C PHE A 61 11.683 -0.133 -4.418 1.00 0.00 C ATOM 872 O PHE A 61 11.981 0.404 -5.485 1.00 0.00 O ATOM 873 CB PHE A 61 10.138 0.387 -2.519 1.00 0.00 C ATOM 874 CG PHE A 61 8.974 0.774 -3.386 1.00 0.00 C ATOM 875 CD1 PHE A 61 8.528 2.085 -3.424 1.00 0.00 C ATOM 876 CD2 PHE A 61 8.326 -0.174 -4.162 1.00 0.00 C ATOM 877 CE1 PHE A 61 7.457 2.444 -4.221 1.00 0.00 C ATOM 878 CE2 PHE A 61 7.255 0.180 -4.961 1.00 0.00 C ATOM 879 CZ PHE A 61 6.819 1.490 -4.989 1.00 0.00 C ATOM 0 H PHE A 61 11.304 2.387 -4.375 1.00 0.00 H new ATOM 0 HA PHE A 61 12.286 0.431 -2.446 1.00 0.00 H new ATOM 0 HB2 PHE A 61 10.081 -0.680 -2.302 1.00 0.00 H new ATOM 0 HB3 PHE A 61 10.061 0.910 -1.566 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.022 2.835 -2.824 1.00 0.00 H new ATOM 0 HD2 PHE A 61 8.661 -1.200 -4.142 1.00 0.00 H new ATOM 0 HE1 PHE A 61 7.120 3.470 -4.243 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.760 -0.567 -5.563 1.00 0.00 H new ATOM 0 HZ PHE A 61 5.981 1.768 -5.610 1.00 0.00 H new ATOM 889 N VAL A 62 11.505 -1.444 -4.292 1.00 0.00 N ATOM 890 CA VAL A 62 11.652 -2.347 -5.427 1.00 0.00 C ATOM 891 C VAL A 62 10.698 -3.531 -5.314 1.00 0.00 C ATOM 892 O VAL A 62 10.866 -4.398 -4.456 1.00 0.00 O ATOM 893 CB VAL A 62 13.094 -2.874 -5.543 1.00 0.00 C ATOM 894 CG1 VAL A 62 13.232 -3.795 -6.745 1.00 0.00 C ATOM 895 CG2 VAL A 62 14.078 -1.716 -5.632 1.00 0.00 C ATOM 0 H VAL A 62 11.259 -1.904 -3.416 1.00 0.00 H new ATOM 0 HA VAL A 62 11.410 -1.772 -6.321 1.00 0.00 H new ATOM 0 HB VAL A 62 13.325 -3.450 -4.647 1.00 0.00 H new ATOM 0 HG11 VAL A 62 14.258 -4.157 -6.810 1.00 0.00 H new ATOM 0 HG12 VAL A 62 12.555 -4.642 -6.634 1.00 0.00 H new ATOM 0 HG13 VAL A 62 12.982 -3.247 -7.654 1.00 0.00 H new ATOM 0 HG21 VAL A 62 15.093 -2.106 -5.713 1.00 0.00 H new ATOM 0 HG22 VAL A 62 13.850 -1.112 -6.510 1.00 0.00 H new ATOM 0 HG23 VAL A 62 13.997 -1.100 -4.736 1.00 0.00 H new ATOM 905 N PHE A 63 9.696 -3.563 -6.186 1.00 0.00 N ATOM 906 CA PHE A 63 8.714 -4.641 -6.184 1.00 0.00 C ATOM 907 C PHE A 63 9.355 -5.961 -6.600 1.00 0.00 C ATOM 908 O PHE A 63 9.945 -6.067 -7.676 1.00 0.00 O ATOM 909 CB PHE A 63 7.555 -4.305 -7.125 1.00 0.00 C ATOM 910 CG PHE A 63 6.251 -4.928 -6.715 1.00 0.00 C ATOM 911 CD1 PHE A 63 5.741 -4.726 -5.443 1.00 0.00 C ATOM 912 CD2 PHE A 63 5.534 -5.714 -7.603 1.00 0.00 C ATOM 913 CE1 PHE A 63 4.542 -5.298 -5.063 1.00 0.00 C ATOM 914 CE2 PHE A 63 4.334 -6.289 -7.229 1.00 0.00 C ATOM 915 CZ PHE A 63 3.837 -6.080 -5.958 1.00 0.00 C ATOM 0 H PHE A 63 9.543 -2.854 -6.903 1.00 0.00 H new ATOM 0 HA PHE A 63 8.330 -4.748 -5.169 1.00 0.00 H new ATOM 0 HB2 PHE A 63 7.434 -3.223 -7.168 1.00 0.00 H new ATOM 0 HB3 PHE A 63 7.807 -4.637 -8.132 1.00 0.00 H new ATOM 0 HD1 PHE A 63 6.287 -4.114 -4.740 1.00 0.00 H new ATOM 0 HD2 PHE A 63 5.917 -5.879 -8.599 1.00 0.00 H new ATOM 0 HE1 PHE A 63 4.156 -5.134 -4.068 1.00 0.00 H new ATOM 0 HE2 PHE A 63 3.786 -6.901 -7.930 1.00 0.00 H new ATOM 0 HZ PHE A 63 2.899 -6.527 -5.664 1.00 0.00 H new ATOM 925 N HIS A 64 9.236 -6.967 -5.739 1.00 0.00 N ATOM 926 CA HIS A 64 9.804 -8.282 -6.016 1.00 0.00 C ATOM 927 C HIS A 64 8.971 -9.382 -5.365 1.00 0.00 C ATOM 928 O HIS A 64 8.619 -9.292 -4.189 1.00 0.00 O ATOM 929 CB HIS A 64 11.246 -8.354 -5.513 1.00 0.00 C ATOM 930 CG HIS A 64 11.841 -9.726 -5.593 1.00 0.00 C ATOM 931 ND1 HIS A 64 12.500 -10.323 -4.540 1.00 0.00 N ATOM 932 CD2 HIS A 64 11.870 -10.621 -6.609 1.00 0.00 C ATOM 933 CE1 HIS A 64 12.912 -11.525 -4.904 1.00 0.00 C ATOM 934 NE2 HIS A 64 12.541 -11.730 -6.155 1.00 0.00 N ATOM 0 H HIS A 64 8.752 -6.897 -4.844 1.00 0.00 H new ATOM 0 HA HIS A 64 9.795 -8.434 -7.095 1.00 0.00 H new ATOM 0 HB2 HIS A 64 11.860 -7.666 -6.095 1.00 0.00 H new ATOM 0 HB3 HIS A 64 11.279 -8.013 -4.478 1.00 0.00 H new ATOM 0 HD2 HIS A 64 11.445 -10.488 -7.593 1.00 0.00 H new ATOM 0 HE1 HIS A 64 13.459 -12.221 -4.284 1.00 0.00 H new ATOM 0 HE2 HIS A 64 12.723 -12.575 -6.696 1.00 0.00 H new ATOM 942 N GLN A 65 8.658 -10.416 -6.138 1.00 0.00 N ATOM 943 CA GLN A 65 7.864 -11.532 -5.637 1.00 0.00 C ATOM 944 C GLN A 65 6.578 -11.035 -4.985 1.00 0.00 C ATOM 945 O GLN A 65 6.239 -11.441 -3.874 1.00 0.00 O ATOM 946 CB GLN A 65 8.676 -12.352 -4.632 1.00 0.00 C ATOM 947 CG GLN A 65 9.815 -13.135 -5.264 1.00 0.00 C ATOM 948 CD GLN A 65 9.395 -14.525 -5.701 1.00 0.00 C ATOM 949 OE1 GLN A 65 8.347 -14.703 -6.322 1.00 0.00 O ATOM 950 NE2 GLN A 65 10.214 -15.519 -5.378 1.00 0.00 N ATOM 0 H GLN A 65 8.942 -10.505 -7.114 1.00 0.00 H new ATOM 0 HA GLN A 65 7.599 -12.166 -6.483 1.00 0.00 H new ATOM 0 HB2 GLN A 65 9.083 -11.683 -3.874 1.00 0.00 H new ATOM 0 HB3 GLN A 65 8.010 -13.046 -4.119 1.00 0.00 H new ATOM 0 HG2 GLN A 65 10.194 -12.586 -6.126 1.00 0.00 H new ATOM 0 HG3 GLN A 65 10.636 -13.215 -4.551 1.00 0.00 H new ATOM 0 HE21 GLN A 65 11.073 -15.325 -4.862 1.00 0.00 H new ATOM 0 HE22 GLN A 65 9.985 -16.476 -5.645 1.00 0.00 H new ATOM 959 N GLU A 66 5.868 -10.156 -5.684 1.00 0.00 N ATOM 960 CA GLU A 66 4.619 -9.604 -5.171 1.00 0.00 C ATOM 961 C GLU A 66 4.829 -8.962 -3.803 1.00 0.00 C ATOM 962 O GLU A 66 3.905 -8.886 -2.994 1.00 0.00 O ATOM 963 CB GLU A 66 3.553 -10.697 -5.076 1.00 0.00 C ATOM 964 CG GLU A 66 2.893 -11.021 -6.405 1.00 0.00 C ATOM 965 CD GLU A 66 1.547 -11.701 -6.238 1.00 0.00 C ATOM 966 OE1 GLU A 66 0.562 -10.997 -5.933 1.00 0.00 O ATOM 967 OE2 GLU A 66 1.480 -12.935 -6.413 1.00 0.00 O ATOM 0 H GLU A 66 6.135 -9.811 -6.606 1.00 0.00 H new ATOM 0 HA GLU A 66 4.279 -8.835 -5.865 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.008 -11.603 -4.676 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.787 -10.385 -4.366 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.763 -10.101 -6.976 1.00 0.00 H new ATOM 0 HG3 GLU A 66 3.552 -11.666 -6.986 1.00 0.00 H new ATOM 974 N GLN A 67 6.051 -8.504 -3.552 1.00 0.00 N ATOM 975 CA GLN A 67 6.383 -7.870 -2.281 1.00 0.00 C ATOM 976 C GLN A 67 7.176 -6.586 -2.504 1.00 0.00 C ATOM 977 O GLN A 67 7.466 -6.212 -3.640 1.00 0.00 O ATOM 978 CB GLN A 67 7.184 -8.832 -1.402 1.00 0.00 C ATOM 979 CG GLN A 67 6.316 -9.775 -0.585 1.00 0.00 C ATOM 980 CD GLN A 67 7.039 -11.052 -0.204 1.00 0.00 C ATOM 981 OE1 GLN A 67 8.013 -11.443 -0.848 1.00 0.00 O ATOM 982 NE2 GLN A 67 6.566 -11.709 0.848 1.00 0.00 N ATOM 0 H GLN A 67 6.827 -8.560 -4.211 1.00 0.00 H new ATOM 0 HA GLN A 67 5.451 -7.617 -1.775 1.00 0.00 H new ATOM 0 HB2 GLN A 67 7.850 -9.420 -2.034 1.00 0.00 H new ATOM 0 HB3 GLN A 67 7.814 -8.254 -0.726 1.00 0.00 H new ATOM 0 HG2 GLN A 67 5.985 -9.266 0.320 1.00 0.00 H new ATOM 0 HG3 GLN A 67 5.421 -10.025 -1.155 1.00 0.00 H new ATOM 0 HE21 GLN A 67 5.756 -11.348 1.353 1.00 0.00 H new ATOM 0 HE22 GLN A 67 7.012 -12.574 1.152 1.00 0.00 H new ATOM 991 N VAL A 68 7.524 -5.914 -1.411 1.00 0.00 N ATOM 992 CA VAL A 68 8.284 -4.672 -1.486 1.00 0.00 C ATOM 993 C VAL A 68 9.615 -4.797 -0.755 1.00 0.00 C ATOM 994 O VAL A 68 9.668 -5.261 0.385 1.00 0.00 O ATOM 995 CB VAL A 68 7.492 -3.493 -0.891 1.00 0.00 C ATOM 996 CG1 VAL A 68 8.305 -2.209 -0.971 1.00 0.00 C ATOM 997 CG2 VAL A 68 6.157 -3.334 -1.604 1.00 0.00 C ATOM 0 H VAL A 68 7.291 -6.209 -0.463 1.00 0.00 H new ATOM 0 HA VAL A 68 8.471 -4.478 -2.542 1.00 0.00 H new ATOM 0 HB VAL A 68 7.294 -3.704 0.160 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.729 -1.387 -0.546 1.00 0.00 H new ATOM 0 HG12 VAL A 68 9.232 -2.330 -0.411 1.00 0.00 H new ATOM 0 HG13 VAL A 68 8.536 -1.989 -2.013 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.611 -2.496 -1.171 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.331 -3.145 -2.663 1.00 0.00 H new ATOM 0 HG23 VAL A 68 5.572 -4.247 -1.489 1.00 0.00 H new ATOM 1007 N TYR A 69 10.689 -4.380 -1.416 1.00 0.00 N ATOM 1008 CA TYR A 69 12.022 -4.447 -0.829 1.00 0.00 C ATOM 1009 C TYR A 69 12.814 -3.179 -1.131 1.00 0.00 C ATOM 1010 O TYR A 69 13.029 -2.828 -2.291 1.00 0.00 O ATOM 1011 CB TYR A 69 12.774 -5.669 -1.358 1.00 0.00 C ATOM 1012 CG TYR A 69 12.188 -6.986 -0.901 1.00 0.00 C ATOM 1013 CD1 TYR A 69 12.581 -7.564 0.300 1.00 0.00 C ATOM 1014 CD2 TYR A 69 11.241 -7.652 -1.669 1.00 0.00 C ATOM 1015 CE1 TYR A 69 12.049 -8.767 0.722 1.00 0.00 C ATOM 1016 CE2 TYR A 69 10.702 -8.854 -1.255 1.00 0.00 C ATOM 1017 CZ TYR A 69 11.110 -9.408 -0.059 1.00 0.00 C ATOM 1018 OH TYR A 69 10.576 -10.606 0.358 1.00 0.00 O ATOM 0 H TYR A 69 10.663 -3.992 -2.359 1.00 0.00 H new ATOM 0 HA TYR A 69 11.911 -4.536 0.252 1.00 0.00 H new ATOM 0 HB2 TYR A 69 12.776 -5.640 -2.448 1.00 0.00 H new ATOM 0 HB3 TYR A 69 13.814 -5.613 -1.036 1.00 0.00 H new ATOM 0 HD1 TYR A 69 13.315 -7.064 0.914 1.00 0.00 H new ATOM 0 HD2 TYR A 69 10.921 -7.222 -2.606 1.00 0.00 H new ATOM 0 HE1 TYR A 69 12.366 -9.203 1.658 1.00 0.00 H new ATOM 0 HE2 TYR A 69 9.966 -9.357 -1.864 1.00 0.00 H new ATOM 0 HH TYR A 69 9.730 -10.767 -0.109 1.00 0.00 H new ATOM 1028 N CYS A 70 13.247 -2.495 -0.077 1.00 0.00 N ATOM 1029 CA CYS A 70 14.016 -1.265 -0.226 1.00 0.00 C ATOM 1030 C CYS A 70 15.196 -1.472 -1.171 1.00 0.00 C ATOM 1031 O CYS A 70 15.647 -2.594 -1.404 1.00 0.00 O ATOM 1032 CB CYS A 70 14.519 -0.785 1.137 1.00 0.00 C ATOM 1033 SG CYS A 70 15.301 -2.088 2.142 1.00 0.00 S ATOM 0 H CYS A 70 13.078 -2.772 0.890 1.00 0.00 H new ATOM 0 HA CYS A 70 13.360 -0.506 -0.652 1.00 0.00 H new ATOM 0 HB2 CYS A 70 15.237 0.021 0.984 1.00 0.00 H new ATOM 0 HB3 CYS A 70 13.682 -0.365 1.694 1.00 0.00 H new ATOM 0 HG CYS A 70 14.441 -3.036 2.369 1.00 0.00 H new ATOM 1038 N PRO A 71 15.707 -0.366 -1.730 1.00 0.00 N ATOM 1039 CA PRO A 71 16.841 -0.399 -2.659 1.00 0.00 C ATOM 1040 C PRO A 71 17.993 -1.252 -2.137 1.00 0.00 C ATOM 1041 O PRO A 71 18.655 -1.953 -2.902 1.00 0.00 O ATOM 1042 CB PRO A 71 17.264 1.069 -2.756 1.00 0.00 C ATOM 1043 CG PRO A 71 16.029 1.840 -2.441 1.00 0.00 C ATOM 1044 CD PRO A 71 15.219 1.004 -1.498 1.00 0.00 C ATOM 0 HA PRO A 71 16.570 -0.842 -3.617 1.00 0.00 H new ATOM 0 HB2 PRO A 71 18.064 1.298 -2.052 1.00 0.00 H new ATOM 0 HB3 PRO A 71 17.637 1.309 -3.752 1.00 0.00 H new ATOM 0 HG2 PRO A 71 16.279 2.800 -1.988 1.00 0.00 H new ATOM 0 HG3 PRO A 71 15.465 2.053 -3.349 1.00 0.00 H new ATOM 0 HD2 PRO A 71 15.368 1.311 -0.463 1.00 0.00 H new ATOM 0 HD3 PRO A 71 14.152 1.088 -1.705 1.00 0.00 H new ATOM 1052 N ASP A 72 18.226 -1.187 -0.830 1.00 0.00 N ATOM 1053 CA ASP A 72 19.297 -1.954 -0.206 1.00 0.00 C ATOM 1054 C ASP A 72 19.017 -3.451 -0.296 1.00 0.00 C ATOM 1055 O ASP A 72 19.726 -4.186 -0.984 1.00 0.00 O ATOM 1056 CB ASP A 72 19.463 -1.541 1.257 1.00 0.00 C ATOM 1057 CG ASP A 72 20.804 -1.960 1.829 1.00 0.00 C ATOM 1058 OD1 ASP A 72 21.796 -1.237 1.602 1.00 0.00 O ATOM 1059 OD2 ASP A 72 20.860 -3.010 2.502 1.00 0.00 O ATOM 0 H ASP A 72 17.687 -0.611 -0.183 1.00 0.00 H new ATOM 0 HA ASP A 72 20.222 -1.743 -0.742 1.00 0.00 H new ATOM 0 HB2 ASP A 72 19.358 -0.459 1.340 1.00 0.00 H new ATOM 0 HB3 ASP A 72 18.664 -1.985 1.850 1.00 0.00 H new ATOM 1064 N CYS A 73 17.979 -3.897 0.405 1.00 0.00 N ATOM 1065 CA CYS A 73 17.605 -5.306 0.406 1.00 0.00 C ATOM 1066 C CYS A 73 17.457 -5.831 -1.020 1.00 0.00 C ATOM 1067 O CYS A 73 17.826 -6.967 -1.315 1.00 0.00 O ATOM 1068 CB CYS A 73 16.297 -5.508 1.173 1.00 0.00 C ATOM 1069 SG CYS A 73 16.499 -5.568 2.983 1.00 0.00 S ATOM 0 H CYS A 73 17.382 -3.302 0.980 1.00 0.00 H new ATOM 0 HA CYS A 73 18.399 -5.866 0.901 1.00 0.00 H new ATOM 0 HB2 CYS A 73 15.612 -4.699 0.921 1.00 0.00 H new ATOM 0 HB3 CYS A 73 15.832 -6.435 0.839 1.00 0.00 H new ATOM 0 HG CYS A 73 15.351 -5.356 3.555 1.00 0.00 H new ATOM 1074 N ALA A 74 16.915 -4.994 -1.899 1.00 0.00 N ATOM 1075 CA ALA A 74 16.720 -5.372 -3.293 1.00 0.00 C ATOM 1076 C ALA A 74 18.019 -5.880 -3.911 1.00 0.00 C ATOM 1077 O ALA A 74 18.010 -6.786 -4.744 1.00 0.00 O ATOM 1078 CB ALA A 74 16.181 -4.193 -4.089 1.00 0.00 C ATOM 0 H ALA A 74 16.603 -4.050 -1.670 1.00 0.00 H new ATOM 0 HA ALA A 74 15.991 -6.182 -3.325 1.00 0.00 H new ATOM 0 HB1 ALA A 74 16.040 -4.490 -5.128 1.00 0.00 H new ATOM 0 HB2 ALA A 74 15.226 -3.877 -3.669 1.00 0.00 H new ATOM 0 HB3 ALA A 74 16.890 -3.367 -4.040 1.00 0.00 H new ATOM 1084 N LYS A 75 19.135 -5.291 -3.497 1.00 0.00 N ATOM 1085 CA LYS A 75 20.443 -5.683 -4.009 1.00 0.00 C ATOM 1086 C LYS A 75 20.761 -7.128 -3.638 1.00 0.00 C ATOM 1087 O LYS A 75 21.450 -7.832 -4.376 1.00 0.00 O ATOM 1088 CB LYS A 75 21.528 -4.754 -3.460 1.00 0.00 C ATOM 1089 CG LYS A 75 21.413 -3.324 -3.957 1.00 0.00 C ATOM 1090 CD LYS A 75 22.774 -2.653 -4.046 1.00 0.00 C ATOM 1091 CE LYS A 75 22.669 -1.256 -4.638 1.00 0.00 C ATOM 1092 NZ LYS A 75 23.998 -0.729 -5.054 1.00 0.00 N ATOM 0 H LYS A 75 19.160 -4.540 -2.808 1.00 0.00 H new ATOM 0 HA LYS A 75 20.420 -5.602 -5.096 1.00 0.00 H new ATOM 0 HB2 LYS A 75 21.479 -4.756 -2.371 1.00 0.00 H new ATOM 0 HB3 LYS A 75 22.506 -5.148 -3.736 1.00 0.00 H new ATOM 0 HG2 LYS A 75 20.938 -3.316 -4.938 1.00 0.00 H new ATOM 0 HG3 LYS A 75 20.769 -2.755 -3.286 1.00 0.00 H new ATOM 0 HD2 LYS A 75 23.218 -2.596 -3.052 1.00 0.00 H new ATOM 0 HD3 LYS A 75 23.441 -3.260 -4.659 1.00 0.00 H new ATOM 0 HE2 LYS A 75 22.000 -1.276 -5.499 1.00 0.00 H new ATOM 0 HE3 LYS A 75 22.225 -0.583 -3.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 23.884 0.225 -5.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 24.629 -0.686 -4.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 24.411 -1.357 -5.773 1.00 0.00 H new ATOM 1106 N LYS A 76 20.254 -7.565 -2.490 1.00 0.00 N ATOM 1107 CA LYS A 76 20.481 -8.927 -2.022 1.00 0.00 C ATOM 1108 C LYS A 76 19.789 -9.937 -2.931 1.00 0.00 C ATOM 1109 O LYS A 76 20.240 -11.075 -3.069 1.00 0.00 O ATOM 1110 CB LYS A 76 19.975 -9.086 -0.586 1.00 0.00 C ATOM 1111 CG LYS A 76 20.543 -8.057 0.376 1.00 0.00 C ATOM 1112 CD LYS A 76 20.441 -8.526 1.818 1.00 0.00 C ATOM 1113 CE LYS A 76 21.451 -9.622 2.120 1.00 0.00 C ATOM 1114 NZ LYS A 76 21.585 -9.865 3.583 1.00 0.00 N ATOM 0 H LYS A 76 19.683 -6.995 -1.866 1.00 0.00 H new ATOM 0 HA LYS A 76 21.554 -9.119 -2.046 1.00 0.00 H new ATOM 0 HB2 LYS A 76 18.887 -9.013 -0.583 1.00 0.00 H new ATOM 0 HB3 LYS A 76 20.228 -10.084 -0.229 1.00 0.00 H new ATOM 0 HG2 LYS A 76 21.587 -7.863 0.128 1.00 0.00 H new ATOM 0 HG3 LYS A 76 20.008 -7.115 0.260 1.00 0.00 H new ATOM 0 HD2 LYS A 76 20.606 -7.683 2.489 1.00 0.00 H new ATOM 0 HD3 LYS A 76 19.434 -8.895 2.012 1.00 0.00 H new ATOM 0 HE2 LYS A 76 21.145 -10.544 1.625 1.00 0.00 H new ATOM 0 HE3 LYS A 76 22.421 -9.345 1.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 22.282 -10.619 3.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 21.901 -8.992 4.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 20.665 -10.154 3.973 1.00 0.00 H new ATOM 1128 N LEU A 77 18.692 -9.515 -3.550 1.00 0.00 N ATOM 1129 CA LEU A 77 17.938 -10.383 -4.448 1.00 0.00 C ATOM 1130 C LEU A 77 18.791 -10.809 -5.638 1.00 0.00 C ATOM 1131 O LEU A 77 18.348 -10.750 -6.785 1.00 0.00 O ATOM 1132 CB LEU A 77 16.677 -9.669 -4.939 1.00 0.00 C ATOM 1133 CG LEU A 77 15.813 -9.013 -3.861 1.00 0.00 C ATOM 1134 CD1 LEU A 77 14.723 -8.164 -4.494 1.00 0.00 C ATOM 1135 CD2 LEU A 77 15.207 -10.069 -2.948 1.00 0.00 C ATOM 0 H LEU A 77 18.305 -8.577 -3.447 1.00 0.00 H new ATOM 0 HA LEU A 77 17.650 -11.276 -3.893 1.00 0.00 H new ATOM 0 HB2 LEU A 77 16.973 -8.902 -5.655 1.00 0.00 H new ATOM 0 HB3 LEU A 77 16.063 -10.389 -5.480 1.00 0.00 H new ATOM 0 HG LEU A 77 16.448 -8.362 -3.260 1.00 0.00 H new ATOM 0 HD11 LEU A 77 14.119 -7.705 -3.711 1.00 0.00 H new ATOM 0 HD12 LEU A 77 15.178 -7.384 -5.105 1.00 0.00 H new ATOM 0 HD13 LEU A 77 14.090 -8.793 -5.120 1.00 0.00 H new ATOM 0 HD21 LEU A 77 14.595 -9.584 -2.187 1.00 0.00 H new ATOM 0 HD22 LEU A 77 14.586 -10.745 -3.536 1.00 0.00 H new ATOM 0 HD23 LEU A 77 16.005 -10.635 -2.466 1.00 0.00 H new