USER MOD reduce.3.24.130724 H: found=0, std=0, add=388, rem=0, adj=17 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 49 CYS SG : rot -168:sc= 0.381 USER MOD Set 1.2: A 52 CYS SG : rot -98:sc= -0.0189 USER MOD Set 1.3: A 70 CYS SG : rot -60:sc= 0.479 USER MOD Set 1.4: A 73 CYS SG : rot -90:sc= 0.027 USER MOD Set 2.1: A 18 CYS SG : rot -162:sc= -0.084 USER MOD Set 2.2: A 21 CYS SG : rot -101:sc= -0.366 USER MOD Set 2.3: A 43 HIS : no HD1:sc= -0.718 K(o=1,f=-1.4) USER MOD Set 2.4: A 45 TYR OH : rot -66:sc= 0.456 USER MOD Set 2.5: A 46 CYS SG : rot 73:sc= 1.73 USER MOD Single : A 17 LYS NZ :NH3+ -113:sc= -0.106 (180deg=-0.553) USER MOD Single : A 22 LYS NZ :NH3+ 160:sc= -0.0293 (180deg=-0.268) USER MOD Single : A 23 ASN : amide:sc= -0.108 K(o=-0.11,f=-0.83) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HE2:sc= -0.153 K(o=-0.15,f=-1.3) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -155:sc= -0.0522 (180deg=-0.362) USER MOD Single : A 53 SER OG : rot 180:sc=-0.00255 USER MOD Single : A 55 ASN : amide:sc= 0.0796 X(o=0.08,f=-0.18) USER MOD Single : A 58 ASN : amide:sc= -0.124 X(o=-0.12,f=-0.22) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS :FLIP no HD1:sc= -0.246 F(o=-0.87,f=-0.25) USER MOD Single : A 65 GLN : amide:sc= -0.0161 K(o=-0.016,f=-1.3) USER MOD Single : A 67 GLN : amide:sc= -0.397 K(o=-0.4,f=-2.7!) USER MOD Single : A 69 TYR OH : rot 180:sc= -0.0515 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 169:sc=-9.12e-06 (180deg=-0.061) USER MOD ----------------------------------------------------------------- ATOM 214 N LYS A 17 -8.986 -2.617 -0.942 1.00 0.00 N ATOM 215 CA LYS A 17 -8.441 -3.149 0.301 1.00 0.00 C ATOM 216 C LYS A 17 -6.918 -3.216 0.243 1.00 0.00 C ATOM 217 O LYS A 17 -6.342 -3.624 -0.766 1.00 0.00 O ATOM 218 CB LYS A 17 -9.013 -4.541 0.579 1.00 0.00 C ATOM 219 CG LYS A 17 -10.207 -4.532 1.518 1.00 0.00 C ATOM 220 CD LYS A 17 -11.173 -5.661 1.202 1.00 0.00 C ATOM 221 CE LYS A 17 -10.529 -7.022 1.417 1.00 0.00 C ATOM 222 NZ LYS A 17 -10.174 -7.249 2.846 1.00 0.00 N ATOM 0 HA LYS A 17 -8.727 -2.477 1.110 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.308 -4.999 -0.365 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.230 -5.168 1.006 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.862 -4.625 2.548 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.725 -3.576 1.440 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -12.057 -5.572 1.833 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.509 -5.575 0.169 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.212 -7.803 1.084 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -9.632 -7.100 0.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -9.139 -7.286 2.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -10.550 -6.471 3.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -10.584 -8.149 3.167 1.00 0.00 H new ATOM 236 N CYS A 18 -6.271 -2.814 1.332 1.00 0.00 N ATOM 237 CA CYS A 18 -4.815 -2.829 1.406 1.00 0.00 C ATOM 238 C CYS A 18 -4.265 -4.200 1.020 1.00 0.00 C ATOM 239 O CYS A 18 -4.912 -5.223 1.239 1.00 0.00 O ATOM 240 CB CYS A 18 -4.351 -2.460 2.816 1.00 0.00 C ATOM 241 SG CYS A 18 -2.551 -2.228 2.970 1.00 0.00 S ATOM 0 H CYS A 18 -6.732 -2.474 2.176 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.433 -2.091 0.700 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -4.852 -1.542 3.123 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -4.666 -3.242 3.507 1.00 0.00 H new ATOM 0 HG CYS A 18 -2.210 -2.298 4.223 1.00 0.00 H new ATOM 246 N ALA A 19 -3.067 -4.210 0.446 1.00 0.00 N ATOM 247 CA ALA A 19 -2.428 -5.453 0.032 1.00 0.00 C ATOM 248 C ALA A 19 -1.450 -5.947 1.092 1.00 0.00 C ATOM 249 O ALA A 19 -0.514 -6.686 0.791 1.00 0.00 O ATOM 250 CB ALA A 19 -1.716 -5.263 -1.299 1.00 0.00 C ATOM 0 H ALA A 19 -2.519 -3.371 0.257 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.204 -6.209 -0.089 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.243 -6.199 -1.596 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.438 -4.964 -2.059 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.955 -4.489 -1.197 1.00 0.00 H new ATOM 256 N GLY A 20 -1.672 -5.533 2.336 1.00 0.00 N ATOM 257 CA GLY A 20 -0.801 -5.942 3.422 1.00 0.00 C ATOM 258 C GLY A 20 -1.572 -6.415 4.638 1.00 0.00 C ATOM 259 O GLY A 20 -1.229 -7.430 5.245 1.00 0.00 O ATOM 0 H GLY A 20 -2.440 -4.921 2.611 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -0.147 -6.742 3.077 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.161 -5.106 3.704 1.00 0.00 H new ATOM 263 N CYS A 21 -2.617 -5.676 4.997 1.00 0.00 N ATOM 264 CA CYS A 21 -3.439 -6.023 6.150 1.00 0.00 C ATOM 265 C CYS A 21 -4.822 -6.495 5.710 1.00 0.00 C ATOM 266 O CYS A 21 -5.588 -7.037 6.507 1.00 0.00 O ATOM 267 CB CYS A 21 -3.572 -4.821 7.087 1.00 0.00 C ATOM 268 SG CYS A 21 -4.195 -3.312 6.278 1.00 0.00 S ATOM 0 H CYS A 21 -2.914 -4.833 4.506 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.949 -6.838 6.683 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -4.242 -5.084 7.906 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -2.598 -4.608 7.528 1.00 0.00 H new ATOM 0 HG CYS A 21 -3.201 -2.513 6.025 1.00 0.00 H new ATOM 273 N LYS A 22 -5.135 -6.285 4.436 1.00 0.00 N ATOM 274 CA LYS A 22 -6.424 -6.690 3.888 1.00 0.00 C ATOM 275 C LYS A 22 -7.563 -5.930 4.559 1.00 0.00 C ATOM 276 O LYS A 22 -8.485 -6.532 5.108 1.00 0.00 O ATOM 277 CB LYS A 22 -6.627 -8.196 4.066 1.00 0.00 C ATOM 278 CG LYS A 22 -5.421 -9.025 3.660 1.00 0.00 C ATOM 279 CD LYS A 22 -5.063 -8.809 2.199 1.00 0.00 C ATOM 280 CE LYS A 22 -4.272 -9.982 1.639 1.00 0.00 C ATOM 281 NZ LYS A 22 -5.114 -11.202 1.498 1.00 0.00 N ATOM 0 H LYS A 22 -4.513 -5.836 3.763 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.429 -6.453 2.824 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -6.863 -8.401 5.110 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.488 -8.510 3.476 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.569 -8.762 4.287 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -5.629 -10.081 3.832 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -5.974 -8.672 1.617 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -4.479 -7.894 2.098 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -3.860 -9.711 0.667 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -3.428 -10.197 2.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -4.668 -11.856 0.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -5.207 -11.669 2.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -6.057 -10.935 1.149 1.00 0.00 H new ATOM 295 N ASN A 23 -7.494 -4.603 4.509 1.00 0.00 N ATOM 296 CA ASN A 23 -8.521 -3.761 5.111 1.00 0.00 C ATOM 297 C ASN A 23 -8.863 -2.586 4.200 1.00 0.00 C ATOM 298 O ASN A 23 -8.100 -2.217 3.307 1.00 0.00 O ATOM 299 CB ASN A 23 -8.052 -3.245 6.473 1.00 0.00 C ATOM 300 CG ASN A 23 -8.390 -4.201 7.601 1.00 0.00 C ATOM 301 OD1 ASN A 23 -9.472 -4.789 7.628 1.00 0.00 O ATOM 302 ND2 ASN A 23 -7.464 -4.361 8.539 1.00 0.00 N ATOM 0 H ASN A 23 -6.738 -4.088 4.058 1.00 0.00 H new ATOM 0 HA ASN A 23 -9.418 -4.365 5.248 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -6.974 -3.085 6.446 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -8.513 -2.277 6.670 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -7.635 -4.992 9.322 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -6.582 -3.853 8.476 1.00 0.00 H new ATOM 309 N PRO A 24 -10.038 -1.982 4.431 1.00 0.00 N ATOM 310 CA PRO A 24 -10.509 -0.839 3.643 1.00 0.00 C ATOM 311 C PRO A 24 -9.696 0.424 3.910 1.00 0.00 C ATOM 312 O PRO A 24 -9.413 0.758 5.061 1.00 0.00 O ATOM 313 CB PRO A 24 -11.954 -0.654 4.114 1.00 0.00 C ATOM 314 CG PRO A 24 -11.981 -1.230 5.487 1.00 0.00 C ATOM 315 CD PRO A 24 -10.998 -2.368 5.479 1.00 0.00 C ATOM 0 HA PRO A 24 -10.415 -1.017 2.572 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -12.237 0.399 4.121 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -12.654 -1.168 3.455 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -11.705 -0.481 6.230 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -12.981 -1.580 5.744 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -10.511 -2.485 6.447 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -11.483 -3.317 5.250 1.00 0.00 H new ATOM 323 N ILE A 25 -9.325 1.120 2.841 1.00 0.00 N ATOM 324 CA ILE A 25 -8.546 2.346 2.962 1.00 0.00 C ATOM 325 C ILE A 25 -9.449 3.575 2.946 1.00 0.00 C ATOM 326 O ILE A 25 -9.443 4.353 1.991 1.00 0.00 O ATOM 327 CB ILE A 25 -7.511 2.469 1.828 1.00 0.00 C ATOM 328 CG1 ILE A 25 -6.716 1.169 1.689 1.00 0.00 C ATOM 329 CG2 ILE A 25 -6.578 3.642 2.088 1.00 0.00 C ATOM 330 CD1 ILE A 25 -5.712 1.192 0.558 1.00 0.00 C ATOM 0 H ILE A 25 -9.551 0.856 1.882 1.00 0.00 H new ATOM 0 HA ILE A 25 -8.023 2.295 3.917 1.00 0.00 H new ATOM 0 HB ILE A 25 -8.039 2.651 0.892 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.193 0.971 2.624 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.410 0.343 1.531 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -5.852 3.716 1.278 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -7.158 4.563 2.141 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -6.054 3.488 3.032 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -5.186 0.238 0.519 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -6.231 1.359 -0.386 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.995 1.996 0.724 1.00 0.00 H new ATOM 441 N VAL A 34 -1.168 7.604 2.266 1.00 0.00 N ATOM 442 CA VAL A 34 -1.218 6.241 1.750 1.00 0.00 C ATOM 443 C VAL A 34 -0.429 6.116 0.451 1.00 0.00 C ATOM 444 O VAL A 34 -0.307 7.077 -0.309 1.00 0.00 O ATOM 445 CB VAL A 34 -2.669 5.788 1.502 1.00 0.00 C ATOM 446 CG1 VAL A 34 -3.291 6.587 0.367 1.00 0.00 C ATOM 447 CG2 VAL A 34 -2.718 4.297 1.205 1.00 0.00 C ATOM 0 HA VAL A 34 -0.769 5.599 2.508 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.249 5.974 2.406 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.316 6.253 0.206 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.291 7.646 0.625 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.713 6.435 -0.544 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.751 3.994 1.032 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.124 4.083 0.317 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.315 3.744 2.053 1.00 0.00 H new ATOM 457 N VAL A 35 0.105 4.924 0.203 1.00 0.00 N ATOM 458 CA VAL A 35 0.881 4.672 -1.005 1.00 0.00 C ATOM 459 C VAL A 35 0.055 3.919 -2.042 1.00 0.00 C ATOM 460 O VAL A 35 -0.834 3.142 -1.697 1.00 0.00 O ATOM 461 CB VAL A 35 2.155 3.864 -0.695 1.00 0.00 C ATOM 462 CG1 VAL A 35 3.045 3.775 -1.926 1.00 0.00 C ATOM 463 CG2 VAL A 35 2.908 4.483 0.473 1.00 0.00 C ATOM 0 H VAL A 35 0.014 4.119 0.822 1.00 0.00 H new ATOM 0 HA VAL A 35 1.165 5.644 -1.407 1.00 0.00 H new ATOM 0 HB VAL A 35 1.862 2.852 -0.414 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.940 3.200 -1.687 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.502 3.282 -2.733 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.331 4.778 -2.241 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.805 3.899 0.678 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.190 5.506 0.223 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.269 4.488 1.356 1.00 0.00 H new ATOM 473 N ALA A 36 0.356 4.155 -3.315 1.00 0.00 N ATOM 474 CA ALA A 36 -0.357 3.498 -4.403 1.00 0.00 C ATOM 475 C ALA A 36 0.585 3.166 -5.556 1.00 0.00 C ATOM 476 O ALA A 36 1.529 3.907 -5.831 1.00 0.00 O ATOM 477 CB ALA A 36 -1.501 4.375 -4.890 1.00 0.00 C ATOM 0 H ALA A 36 1.089 4.796 -3.618 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.767 2.563 -4.022 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.025 3.872 -5.703 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.195 4.557 -4.069 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.104 5.325 -5.248 1.00 0.00 H new ATOM 543 N SER A 41 -2.670 -0.493 -3.327 1.00 0.00 N ATOM 544 CA SER A 41 -2.406 0.550 -2.343 1.00 0.00 C ATOM 545 C SER A 41 -1.823 -0.044 -1.064 1.00 0.00 C ATOM 546 O SER A 41 -2.031 -1.220 -0.762 1.00 0.00 O ATOM 547 CB SER A 41 -3.692 1.315 -2.023 1.00 0.00 C ATOM 548 OG SER A 41 -4.072 2.147 -3.105 1.00 0.00 O ATOM 0 HA SER A 41 -1.677 1.240 -2.768 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.494 0.610 -1.803 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.546 1.920 -1.128 1.00 0.00 H new ATOM 0 HG SER A 41 -4.897 2.624 -2.877 1.00 0.00 H new ATOM 554 N TRP A 42 -1.093 0.776 -0.318 1.00 0.00 N ATOM 555 CA TRP A 42 -0.479 0.332 0.928 1.00 0.00 C ATOM 556 C TRP A 42 -0.405 1.474 1.936 1.00 0.00 C ATOM 557 O TRP A 42 0.134 2.541 1.641 1.00 0.00 O ATOM 558 CB TRP A 42 0.923 -0.220 0.662 1.00 0.00 C ATOM 559 CG TRP A 42 0.916 -1.549 -0.032 1.00 0.00 C ATOM 560 CD1 TRP A 42 0.845 -2.780 0.555 1.00 0.00 C ATOM 561 CD2 TRP A 42 0.984 -1.778 -1.443 1.00 0.00 C ATOM 562 NE1 TRP A 42 0.865 -3.761 -0.407 1.00 0.00 N ATOM 563 CE2 TRP A 42 0.949 -3.172 -1.641 1.00 0.00 C ATOM 564 CE3 TRP A 42 1.070 -0.942 -2.560 1.00 0.00 C ATOM 565 CZ2 TRP A 42 0.998 -3.746 -2.909 1.00 0.00 C ATOM 566 CZ3 TRP A 42 1.118 -1.513 -3.817 1.00 0.00 C ATOM 567 CH2 TRP A 42 1.082 -2.904 -3.984 1.00 0.00 C ATOM 0 H TRP A 42 -0.912 1.752 -0.554 1.00 0.00 H new ATOM 0 HA TRP A 42 -1.100 -0.459 1.348 1.00 0.00 H new ATOM 0 HB2 TRP A 42 1.479 0.496 0.056 1.00 0.00 H new ATOM 0 HB3 TRP A 42 1.454 -0.315 1.609 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.782 -2.956 1.619 1.00 0.00 H new ATOM 0 HE1 TRP A 42 0.824 -4.765 -0.231 1.00 0.00 H new ATOM 0 HE3 TRP A 42 1.098 0.131 -2.442 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 0.971 -4.818 -3.039 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 1.184 -0.876 -4.687 1.00 0.00 H new ATOM 0 HH2 TRP A 42 1.121 -3.319 -4.980 1.00 0.00 H new ATOM 578 N HIS A 43 -0.951 1.243 3.126 1.00 0.00 N ATOM 579 CA HIS A 43 -0.946 2.254 4.178 1.00 0.00 C ATOM 580 C HIS A 43 0.476 2.722 4.476 1.00 0.00 C ATOM 581 O HIS A 43 1.444 2.022 4.181 1.00 0.00 O ATOM 582 CB HIS A 43 -1.590 1.700 5.449 1.00 0.00 C ATOM 583 CG HIS A 43 -3.024 1.307 5.272 1.00 0.00 C ATOM 584 ND1 HIS A 43 -3.486 0.026 5.494 1.00 0.00 N ATOM 585 CD2 HIS A 43 -4.101 2.033 4.893 1.00 0.00 C ATOM 586 CE1 HIS A 43 -4.785 -0.018 5.257 1.00 0.00 C ATOM 587 NE2 HIS A 43 -5.183 1.188 4.892 1.00 0.00 N ATOM 0 H HIS A 43 -1.402 0.366 3.386 1.00 0.00 H new ATOM 0 HA HIS A 43 -1.525 3.109 3.829 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.023 0.832 5.785 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -1.522 2.450 6.237 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -4.108 3.083 4.638 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -5.414 -0.891 5.346 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -6.139 1.449 4.649 1.00 0.00 H new ATOM 595 N ASP A 44 0.592 3.909 5.060 1.00 0.00 N ATOM 596 CA ASP A 44 1.895 4.470 5.398 1.00 0.00 C ATOM 597 C ASP A 44 2.644 3.560 6.368 1.00 0.00 C ATOM 598 O ASP A 44 3.875 3.552 6.402 1.00 0.00 O ATOM 599 CB ASP A 44 1.732 5.863 6.009 1.00 0.00 C ATOM 600 CG ASP A 44 1.017 5.828 7.346 1.00 0.00 C ATOM 601 OD1 ASP A 44 1.702 5.695 8.381 1.00 0.00 O ATOM 602 OD2 ASP A 44 -0.227 5.934 7.356 1.00 0.00 O ATOM 0 H ASP A 44 -0.200 4.501 5.309 1.00 0.00 H new ATOM 0 HA ASP A 44 2.477 4.550 4.480 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.714 6.318 6.137 1.00 0.00 H new ATOM 0 HB3 ASP A 44 1.175 6.497 5.319 1.00 0.00 H new ATOM 607 N TYR A 45 1.893 2.797 7.154 1.00 0.00 N ATOM 608 CA TYR A 45 2.485 1.887 8.127 1.00 0.00 C ATOM 609 C TYR A 45 2.647 0.489 7.537 1.00 0.00 C ATOM 610 O TYR A 45 3.458 -0.307 8.009 1.00 0.00 O ATOM 611 CB TYR A 45 1.623 1.824 9.389 1.00 0.00 C ATOM 612 CG TYR A 45 0.171 1.501 9.114 1.00 0.00 C ATOM 613 CD1 TYR A 45 -0.253 0.187 8.967 1.00 0.00 C ATOM 614 CD2 TYR A 45 -0.776 2.512 9.003 1.00 0.00 C ATOM 615 CE1 TYR A 45 -1.578 -0.112 8.715 1.00 0.00 C ATOM 616 CE2 TYR A 45 -2.103 2.222 8.753 1.00 0.00 C ATOM 617 CZ TYR A 45 -2.499 0.909 8.610 1.00 0.00 C ATOM 618 OH TYR A 45 -3.821 0.615 8.361 1.00 0.00 O ATOM 0 H TYR A 45 0.873 2.791 7.136 1.00 0.00 H new ATOM 0 HA TYR A 45 3.472 2.268 8.389 1.00 0.00 H new ATOM 0 HB2 TYR A 45 2.033 1.071 10.062 1.00 0.00 H new ATOM 0 HB3 TYR A 45 1.682 2.781 9.908 1.00 0.00 H new ATOM 0 HD1 TYR A 45 0.465 -0.615 9.051 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -0.469 3.542 9.114 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -1.891 -1.139 8.601 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -2.827 3.019 8.670 1.00 0.00 H new ATOM 0 HH TYR A 45 -3.907 0.230 7.464 1.00 0.00 H new ATOM 628 N CYS A 46 1.868 0.198 6.500 1.00 0.00 N ATOM 629 CA CYS A 46 1.923 -1.102 5.843 1.00 0.00 C ATOM 630 C CYS A 46 3.061 -1.151 4.828 1.00 0.00 C ATOM 631 O CYS A 46 3.732 -2.173 4.680 1.00 0.00 O ATOM 632 CB CYS A 46 0.593 -1.403 5.150 1.00 0.00 C ATOM 633 SG CYS A 46 -0.636 -2.219 6.219 1.00 0.00 S ATOM 0 H CYS A 46 1.191 0.846 6.097 1.00 0.00 H new ATOM 0 HA CYS A 46 2.107 -1.859 6.605 1.00 0.00 H new ATOM 0 HB2 CYS A 46 0.171 -0.470 4.776 1.00 0.00 H new ATOM 0 HB3 CYS A 46 0.782 -2.037 4.284 1.00 0.00 H new ATOM 0 HG CYS A 46 -1.099 -1.362 7.080 1.00 0.00 H new ATOM 638 N PHE A 47 3.273 -0.040 4.131 1.00 0.00 N ATOM 639 CA PHE A 47 4.329 0.044 3.129 1.00 0.00 C ATOM 640 C PHE A 47 5.706 -0.034 3.782 1.00 0.00 C ATOM 641 O PHE A 47 6.266 0.980 4.199 1.00 0.00 O ATOM 642 CB PHE A 47 4.203 1.344 2.332 1.00 0.00 C ATOM 643 CG PHE A 47 4.721 1.238 0.926 1.00 0.00 C ATOM 644 CD1 PHE A 47 4.253 0.252 0.073 1.00 0.00 C ATOM 645 CD2 PHE A 47 5.678 2.125 0.458 1.00 0.00 C ATOM 646 CE1 PHE A 47 4.727 0.152 -1.221 1.00 0.00 C ATOM 647 CE2 PHE A 47 6.156 2.030 -0.835 1.00 0.00 C ATOM 648 CZ PHE A 47 5.681 1.042 -1.676 1.00 0.00 C ATOM 0 H PHE A 47 2.728 0.815 4.242 1.00 0.00 H new ATOM 0 HA PHE A 47 4.220 -0.802 2.451 1.00 0.00 H new ATOM 0 HB2 PHE A 47 3.155 1.643 2.303 1.00 0.00 H new ATOM 0 HB3 PHE A 47 4.745 2.134 2.852 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.508 -0.447 0.424 1.00 0.00 H new ATOM 0 HD2 PHE A 47 6.054 2.899 1.111 1.00 0.00 H new ATOM 0 HE1 PHE A 47 4.352 -0.621 -1.876 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.901 2.728 -1.188 1.00 0.00 H new ATOM 0 HZ PHE A 47 6.054 0.966 -2.686 1.00 0.00 H new ATOM 658 N HIS A 48 6.246 -1.246 3.867 1.00 0.00 N ATOM 659 CA HIS A 48 7.557 -1.457 4.470 1.00 0.00 C ATOM 660 C HIS A 48 8.234 -2.691 3.880 1.00 0.00 C ATOM 661 O HIS A 48 7.569 -3.587 3.358 1.00 0.00 O ATOM 662 CB HIS A 48 7.427 -1.608 5.986 1.00 0.00 C ATOM 663 CG HIS A 48 6.437 -2.652 6.401 1.00 0.00 C ATOM 664 ND1 HIS A 48 5.352 -2.381 7.207 1.00 0.00 N ATOM 665 CD2 HIS A 48 6.371 -3.973 6.115 1.00 0.00 C ATOM 666 CE1 HIS A 48 4.662 -3.491 7.401 1.00 0.00 C ATOM 667 NE2 HIS A 48 5.259 -4.472 6.749 1.00 0.00 N ATOM 0 H HIS A 48 5.796 -2.096 3.526 1.00 0.00 H new ATOM 0 HA HIS A 48 8.174 -0.586 4.251 1.00 0.00 H new ATOM 0 HB2 HIS A 48 8.403 -1.858 6.403 1.00 0.00 H new ATOM 0 HB3 HIS A 48 7.133 -0.650 6.414 1.00 0.00 H new ATOM 0 HD1 HIS A 48 5.118 -1.466 7.593 1.00 0.00 H new ATOM 0 HD2 HIS A 48 7.064 -4.531 5.502 1.00 0.00 H new ATOM 0 HE1 HIS A 48 3.763 -3.581 7.992 1.00 0.00 H new ATOM 675 N CYS A 49 9.559 -2.731 3.966 1.00 0.00 N ATOM 676 CA CYS A 49 10.326 -3.854 3.440 1.00 0.00 C ATOM 677 C CYS A 49 9.893 -5.163 4.094 1.00 0.00 C ATOM 678 O CYS A 49 9.493 -5.186 5.258 1.00 0.00 O ATOM 679 CB CYS A 49 11.822 -3.628 3.667 1.00 0.00 C ATOM 680 SG CYS A 49 12.893 -4.843 2.834 1.00 0.00 S ATOM 0 H CYS A 49 10.124 -1.998 4.395 1.00 0.00 H new ATOM 0 HA CYS A 49 10.134 -3.923 2.369 1.00 0.00 H new ATOM 0 HB2 CYS A 49 12.085 -2.629 3.318 1.00 0.00 H new ATOM 0 HB3 CYS A 49 12.024 -3.655 4.738 1.00 0.00 H new ATOM 0 HG CYS A 49 14.109 -4.725 3.278 1.00 0.00 H new ATOM 685 N LYS A 50 9.975 -6.252 3.337 1.00 0.00 N ATOM 686 CA LYS A 50 9.593 -7.565 3.842 1.00 0.00 C ATOM 687 C LYS A 50 10.810 -8.321 4.367 1.00 0.00 C ATOM 688 O LYS A 50 10.804 -9.549 4.447 1.00 0.00 O ATOM 689 CB LYS A 50 8.911 -8.380 2.740 1.00 0.00 C ATOM 690 CG LYS A 50 7.856 -9.340 3.258 1.00 0.00 C ATOM 691 CD LYS A 50 6.661 -8.598 3.835 1.00 0.00 C ATOM 692 CE LYS A 50 5.561 -9.558 4.260 1.00 0.00 C ATOM 693 NZ LYS A 50 4.266 -8.856 4.478 1.00 0.00 N ATOM 0 H LYS A 50 10.303 -6.251 2.371 1.00 0.00 H new ATOM 0 HA LYS A 50 8.893 -7.420 4.665 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.450 -7.697 2.027 1.00 0.00 H new ATOM 0 HB3 LYS A 50 9.668 -8.945 2.196 1.00 0.00 H new ATOM 0 HG2 LYS A 50 7.525 -9.990 2.448 1.00 0.00 H new ATOM 0 HG3 LYS A 50 8.291 -9.982 4.024 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.979 -8.005 4.692 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.271 -7.902 3.093 1.00 0.00 H new ATOM 0 HE2 LYS A 50 5.434 -10.326 3.497 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.857 -10.067 5.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 3.542 -9.545 4.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.380 -8.141 5.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 3.970 -8.392 3.596 1.00 0.00 H new ATOM 707 N LYS A 51 11.852 -7.578 4.726 1.00 0.00 N ATOM 708 CA LYS A 51 13.076 -8.177 5.247 1.00 0.00 C ATOM 709 C LYS A 51 13.538 -7.458 6.510 1.00 0.00 C ATOM 710 O LYS A 51 13.652 -8.064 7.575 1.00 0.00 O ATOM 711 CB LYS A 51 14.180 -8.132 4.188 1.00 0.00 C ATOM 712 CG LYS A 51 15.073 -9.361 4.189 1.00 0.00 C ATOM 713 CD LYS A 51 15.589 -9.676 2.795 1.00 0.00 C ATOM 714 CE LYS A 51 14.821 -10.827 2.163 1.00 0.00 C ATOM 715 NZ LYS A 51 15.054 -12.110 2.882 1.00 0.00 N ATOM 0 H LYS A 51 11.873 -6.560 4.666 1.00 0.00 H new ATOM 0 HA LYS A 51 12.865 -9.216 5.499 1.00 0.00 H new ATOM 0 HB2 LYS A 51 13.724 -8.025 3.204 1.00 0.00 H new ATOM 0 HB3 LYS A 51 14.794 -7.247 4.353 1.00 0.00 H new ATOM 0 HG2 LYS A 51 15.915 -9.199 4.862 1.00 0.00 H new ATOM 0 HG3 LYS A 51 14.517 -10.216 4.574 1.00 0.00 H new ATOM 0 HD2 LYS A 51 15.503 -8.790 2.165 1.00 0.00 H new ATOM 0 HD3 LYS A 51 16.648 -9.929 2.846 1.00 0.00 H new ATOM 0 HE2 LYS A 51 13.755 -10.597 2.166 1.00 0.00 H new ATOM 0 HE3 LYS A 51 15.121 -10.935 1.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 14.892 -12.906 2.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 16.034 -12.140 3.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 14.399 -12.181 3.687 1.00 0.00 H new ATOM 729 N CYS A 52 13.801 -6.161 6.385 1.00 0.00 N ATOM 730 CA CYS A 52 14.250 -5.359 7.516 1.00 0.00 C ATOM 731 C CYS A 52 13.089 -4.574 8.120 1.00 0.00 C ATOM 732 O CYS A 52 13.206 -4.014 9.210 1.00 0.00 O ATOM 733 CB CYS A 52 15.357 -4.398 7.079 1.00 0.00 C ATOM 734 SG CYS A 52 14.873 -3.267 5.735 1.00 0.00 S ATOM 0 H CYS A 52 13.711 -5.643 5.511 1.00 0.00 H new ATOM 0 HA CYS A 52 14.644 -6.035 8.275 1.00 0.00 H new ATOM 0 HB2 CYS A 52 15.672 -3.808 7.940 1.00 0.00 H new ATOM 0 HB3 CYS A 52 16.221 -4.979 6.757 1.00 0.00 H new ATOM 0 HG CYS A 52 15.290 -3.740 4.598 1.00 0.00 H new ATOM 739 N SER A 53 11.970 -4.538 7.404 1.00 0.00 N ATOM 740 CA SER A 53 10.789 -3.819 7.868 1.00 0.00 C ATOM 741 C SER A 53 11.071 -2.324 7.978 1.00 0.00 C ATOM 742 O SER A 53 10.800 -1.703 9.006 1.00 0.00 O ATOM 743 CB SER A 53 10.332 -4.365 9.222 1.00 0.00 C ATOM 744 OG SER A 53 10.519 -5.767 9.296 1.00 0.00 O ATOM 0 H SER A 53 11.856 -4.998 6.501 1.00 0.00 H new ATOM 0 HA SER A 53 9.994 -3.968 7.138 1.00 0.00 H new ATOM 0 HB2 SER A 53 10.891 -3.878 10.021 1.00 0.00 H new ATOM 0 HB3 SER A 53 9.280 -4.127 9.377 1.00 0.00 H new ATOM 0 HG SER A 53 10.221 -6.091 10.172 1.00 0.00 H new ATOM 750 N VAL A 54 11.619 -1.751 6.911 1.00 0.00 N ATOM 751 CA VAL A 54 11.939 -0.328 6.886 1.00 0.00 C ATOM 752 C VAL A 54 10.793 0.482 6.291 1.00 0.00 C ATOM 753 O VAL A 54 10.262 0.142 5.234 1.00 0.00 O ATOM 754 CB VAL A 54 13.221 -0.055 6.078 1.00 0.00 C ATOM 755 CG1 VAL A 54 13.034 -0.468 4.626 1.00 0.00 C ATOM 756 CG2 VAL A 54 13.611 1.412 6.178 1.00 0.00 C ATOM 0 H VAL A 54 11.851 -2.250 6.052 1.00 0.00 H new ATOM 0 HA VAL A 54 12.099 -0.021 7.920 1.00 0.00 H new ATOM 0 HB VAL A 54 14.030 -0.652 6.499 1.00 0.00 H new ATOM 0 HG11 VAL A 54 13.950 -0.268 4.070 1.00 0.00 H new ATOM 0 HG12 VAL A 54 12.805 -1.533 4.577 1.00 0.00 H new ATOM 0 HG13 VAL A 54 12.213 0.100 4.189 1.00 0.00 H new ATOM 0 HG21 VAL A 54 14.519 1.587 5.601 1.00 0.00 H new ATOM 0 HG22 VAL A 54 12.805 2.030 5.783 1.00 0.00 H new ATOM 0 HG23 VAL A 54 13.789 1.671 7.222 1.00 0.00 H new ATOM 766 N ASN A 55 10.416 1.556 6.977 1.00 0.00 N ATOM 767 CA ASN A 55 9.332 2.416 6.515 1.00 0.00 C ATOM 768 C ASN A 55 9.693 3.084 5.192 1.00 0.00 C ATOM 769 O ASN A 55 10.443 4.061 5.161 1.00 0.00 O ATOM 770 CB ASN A 55 9.016 3.481 7.567 1.00 0.00 C ATOM 771 CG ASN A 55 7.860 4.374 7.157 1.00 0.00 C ATOM 772 OD1 ASN A 55 8.063 5.488 6.674 1.00 0.00 O ATOM 773 ND2 ASN A 55 6.640 3.886 7.347 1.00 0.00 N ATOM 0 H ASN A 55 10.845 1.852 7.854 1.00 0.00 H new ATOM 0 HA ASN A 55 8.450 1.795 6.359 1.00 0.00 H new ATOM 0 HB2 ASN A 55 8.778 2.994 8.513 1.00 0.00 H new ATOM 0 HB3 ASN A 55 9.902 4.093 7.738 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.823 4.440 7.089 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.519 2.957 7.751 1.00 0.00 H new ATOM 780 N LEU A 56 9.154 2.552 4.101 1.00 0.00 N ATOM 781 CA LEU A 56 9.418 3.096 2.773 1.00 0.00 C ATOM 782 C LEU A 56 8.225 3.900 2.267 1.00 0.00 C ATOM 783 O LEU A 56 8.037 4.058 1.061 1.00 0.00 O ATOM 784 CB LEU A 56 9.740 1.967 1.792 1.00 0.00 C ATOM 785 CG LEU A 56 10.946 1.096 2.144 1.00 0.00 C ATOM 786 CD1 LEU A 56 10.784 -0.300 1.563 1.00 0.00 C ATOM 787 CD2 LEU A 56 12.232 1.738 1.643 1.00 0.00 C ATOM 0 H LEU A 56 8.531 1.744 4.109 1.00 0.00 H new ATOM 0 HA LEU A 56 10.278 3.762 2.845 1.00 0.00 H new ATOM 0 HB2 LEU A 56 8.864 1.324 1.709 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.908 2.405 0.808 1.00 0.00 H new ATOM 0 HG LEU A 56 11.004 1.011 3.229 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.652 -0.906 1.824 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.884 -0.761 1.970 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.700 -0.235 0.478 1.00 0.00 H new ATOM 0 HD21 LEU A 56 13.080 1.104 1.902 1.00 0.00 H new ATOM 0 HD22 LEU A 56 12.183 1.854 0.560 1.00 0.00 H new ATOM 0 HD23 LEU A 56 12.355 2.717 2.107 1.00 0.00 H new ATOM 799 N ALA A 57 7.423 4.408 3.197 1.00 0.00 N ATOM 800 CA ALA A 57 6.251 5.200 2.846 1.00 0.00 C ATOM 801 C ALA A 57 6.636 6.397 1.983 1.00 0.00 C ATOM 802 O ALA A 57 7.315 7.313 2.444 1.00 0.00 O ATOM 803 CB ALA A 57 5.530 5.663 4.103 1.00 0.00 C ATOM 0 H ALA A 57 7.564 4.285 4.200 1.00 0.00 H new ATOM 0 HA ALA A 57 5.577 4.569 2.266 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.657 6.253 3.825 1.00 0.00 H new ATOM 0 HB2 ALA A 57 5.212 4.795 4.681 1.00 0.00 H new ATOM 0 HB3 ALA A 57 6.204 6.273 4.705 1.00 0.00 H new ATOM 809 N ASN A 58 6.198 6.381 0.728 1.00 0.00 N ATOM 810 CA ASN A 58 6.498 7.466 -0.200 1.00 0.00 C ATOM 811 C ASN A 58 8.000 7.573 -0.445 1.00 0.00 C ATOM 812 O ASN A 58 8.529 8.663 -0.659 1.00 0.00 O ATOM 813 CB ASN A 58 5.962 8.792 0.343 1.00 0.00 C ATOM 814 CG ASN A 58 4.594 8.646 0.981 1.00 0.00 C ATOM 815 OD1 ASN A 58 3.679 8.073 0.389 1.00 0.00 O ATOM 816 ND2 ASN A 58 4.449 9.165 2.195 1.00 0.00 N ATOM 0 H ASN A 58 5.635 5.629 0.330 1.00 0.00 H new ATOM 0 HA ASN A 58 6.009 7.245 -1.149 1.00 0.00 H new ATOM 0 HB2 ASN A 58 6.662 9.190 1.078 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.906 9.517 -0.469 1.00 0.00 H new ATOM 0 HD21 ASN A 58 3.551 9.097 2.675 1.00 0.00 H new ATOM 0 HD22 ASN A 58 5.235 9.631 2.648 1.00 0.00 H new ATOM 823 N LYS A 59 8.681 6.433 -0.411 1.00 0.00 N ATOM 824 CA LYS A 59 10.122 6.396 -0.631 1.00 0.00 C ATOM 825 C LYS A 59 10.475 5.444 -1.769 1.00 0.00 C ATOM 826 O LYS A 59 9.592 4.876 -2.412 1.00 0.00 O ATOM 827 CB LYS A 59 10.843 5.966 0.649 1.00 0.00 C ATOM 828 CG LYS A 59 10.342 6.674 1.896 1.00 0.00 C ATOM 829 CD LYS A 59 11.292 6.481 3.066 1.00 0.00 C ATOM 830 CE LYS A 59 10.655 6.912 4.378 1.00 0.00 C ATOM 831 NZ LYS A 59 10.463 8.388 4.443 1.00 0.00 N ATOM 0 H LYS A 59 8.258 5.522 -0.233 1.00 0.00 H new ATOM 0 HA LYS A 59 10.448 7.399 -0.906 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.724 4.890 0.779 1.00 0.00 H new ATOM 0 HB3 LYS A 59 11.910 6.157 0.537 1.00 0.00 H new ATOM 0 HG2 LYS A 59 10.228 7.738 1.690 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.356 6.293 2.160 1.00 0.00 H new ATOM 0 HD2 LYS A 59 11.585 5.433 3.129 1.00 0.00 H new ATOM 0 HD3 LYS A 59 12.202 7.056 2.896 1.00 0.00 H new ATOM 0 HE2 LYS A 59 9.692 6.415 4.495 1.00 0.00 H new ATOM 0 HE3 LYS A 59 11.282 6.590 5.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 10.027 8.642 5.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 11.385 8.862 4.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 9.844 8.692 3.665 1.00 0.00 H new ATOM 845 N ARG A 60 11.770 5.273 -2.013 1.00 0.00 N ATOM 846 CA ARG A 60 12.239 4.390 -3.073 1.00 0.00 C ATOM 847 C ARG A 60 12.171 2.930 -2.635 1.00 0.00 C ATOM 848 O ARG A 60 12.595 2.582 -1.532 1.00 0.00 O ATOM 849 CB ARG A 60 13.673 4.748 -3.469 1.00 0.00 C ATOM 850 CG ARG A 60 14.089 4.191 -4.820 1.00 0.00 C ATOM 851 CD ARG A 60 13.384 4.909 -5.960 1.00 0.00 C ATOM 852 NE ARG A 60 14.104 4.771 -7.223 1.00 0.00 N ATOM 853 CZ ARG A 60 14.102 3.661 -7.953 1.00 0.00 C ATOM 854 NH1 ARG A 60 13.421 2.598 -7.547 1.00 0.00 N ATOM 855 NH2 ARG A 60 14.783 3.613 -9.091 1.00 0.00 N ATOM 0 H ARG A 60 12.514 5.735 -1.490 1.00 0.00 H new ATOM 0 HA ARG A 60 11.587 4.524 -3.936 1.00 0.00 H new ATOM 0 HB2 ARG A 60 13.776 5.833 -3.486 1.00 0.00 H new ATOM 0 HB3 ARG A 60 14.356 4.374 -2.706 1.00 0.00 H new ATOM 0 HG2 ARG A 60 15.168 4.289 -4.939 1.00 0.00 H new ATOM 0 HG3 ARG A 60 13.860 3.126 -4.862 1.00 0.00 H new ATOM 0 HD2 ARG A 60 12.376 4.509 -6.072 1.00 0.00 H new ATOM 0 HD3 ARG A 60 13.282 5.966 -5.715 1.00 0.00 H new ATOM 0 HE ARG A 60 14.638 5.571 -7.563 1.00 0.00 H new ATOM 0 HH11 ARG A 60 12.897 2.631 -6.672 1.00 0.00 H new ATOM 0 HH12 ARG A 60 13.421 1.747 -8.109 1.00 0.00 H new ATOM 0 HH21 ARG A 60 15.308 4.429 -9.406 1.00 0.00 H new ATOM 0 HH22 ARG A 60 14.781 2.760 -9.651 1.00 0.00 H new ATOM 869 N PHE A 61 11.635 2.080 -3.504 1.00 0.00 N ATOM 870 CA PHE A 61 11.510 0.658 -3.206 1.00 0.00 C ATOM 871 C PHE A 61 11.719 -0.181 -4.463 1.00 0.00 C ATOM 872 O PHE A 61 11.983 0.350 -5.542 1.00 0.00 O ATOM 873 CB PHE A 61 10.136 0.361 -2.603 1.00 0.00 C ATOM 874 CG PHE A 61 8.995 0.659 -3.534 1.00 0.00 C ATOM 875 CD1 PHE A 61 8.540 1.958 -3.699 1.00 0.00 C ATOM 876 CD2 PHE A 61 8.378 -0.358 -4.243 1.00 0.00 C ATOM 877 CE1 PHE A 61 7.491 2.236 -4.555 1.00 0.00 C ATOM 878 CE2 PHE A 61 7.329 -0.086 -5.101 1.00 0.00 C ATOM 879 CZ PHE A 61 6.884 1.212 -5.256 1.00 0.00 C ATOM 0 H PHE A 61 11.280 2.351 -4.421 1.00 0.00 H new ATOM 0 HA PHE A 61 12.281 0.394 -2.482 1.00 0.00 H new ATOM 0 HB2 PHE A 61 10.094 -0.689 -2.315 1.00 0.00 H new ATOM 0 HB3 PHE A 61 10.014 0.947 -1.692 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.011 2.762 -3.152 1.00 0.00 H new ATOM 0 HD2 PHE A 61 8.720 -1.375 -4.124 1.00 0.00 H new ATOM 0 HE1 PHE A 61 7.146 3.252 -4.676 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.858 -0.888 -5.650 1.00 0.00 H new ATOM 0 HZ PHE A 61 6.063 1.426 -5.924 1.00 0.00 H new ATOM 889 N VAL A 62 11.599 -1.497 -4.316 1.00 0.00 N ATOM 890 CA VAL A 62 11.774 -2.411 -5.438 1.00 0.00 C ATOM 891 C VAL A 62 10.789 -3.572 -5.360 1.00 0.00 C ATOM 892 O VAL A 62 10.895 -4.432 -4.484 1.00 0.00 O ATOM 893 CB VAL A 62 13.208 -2.971 -5.488 1.00 0.00 C ATOM 894 CG1 VAL A 62 13.362 -3.944 -6.647 1.00 0.00 C ATOM 895 CG2 VAL A 62 14.218 -1.839 -5.593 1.00 0.00 C ATOM 0 H VAL A 62 11.381 -1.954 -3.430 1.00 0.00 H new ATOM 0 HA VAL A 62 11.584 -1.838 -6.345 1.00 0.00 H new ATOM 0 HB VAL A 62 13.400 -3.514 -4.562 1.00 0.00 H new ATOM 0 HG11 VAL A 62 14.382 -4.329 -6.666 1.00 0.00 H new ATOM 0 HG12 VAL A 62 12.664 -4.772 -6.522 1.00 0.00 H new ATOM 0 HG13 VAL A 62 13.151 -3.429 -7.584 1.00 0.00 H new ATOM 0 HG21 VAL A 62 15.226 -2.253 -5.627 1.00 0.00 H new ATOM 0 HG22 VAL A 62 14.030 -1.266 -6.501 1.00 0.00 H new ATOM 0 HG23 VAL A 62 14.123 -1.185 -4.726 1.00 0.00 H new ATOM 905 N PHE A 63 9.831 -3.592 -6.281 1.00 0.00 N ATOM 906 CA PHE A 63 8.826 -4.648 -6.316 1.00 0.00 C ATOM 907 C PHE A 63 9.445 -5.974 -6.748 1.00 0.00 C ATOM 908 O PHE A 63 10.050 -6.070 -7.817 1.00 0.00 O ATOM 909 CB PHE A 63 7.690 -4.268 -7.268 1.00 0.00 C ATOM 910 CG PHE A 63 6.362 -4.851 -6.879 1.00 0.00 C ATOM 911 CD1 PHE A 63 5.841 -4.639 -5.613 1.00 0.00 C ATOM 912 CD2 PHE A 63 5.634 -5.612 -7.779 1.00 0.00 C ATOM 913 CE1 PHE A 63 4.619 -5.174 -5.251 1.00 0.00 C ATOM 914 CE2 PHE A 63 4.411 -6.149 -7.424 1.00 0.00 C ATOM 915 CZ PHE A 63 3.904 -5.931 -6.158 1.00 0.00 C ATOM 0 H PHE A 63 9.730 -2.889 -7.013 1.00 0.00 H new ATOM 0 HA PHE A 63 8.424 -4.766 -5.310 1.00 0.00 H new ATOM 0 HB2 PHE A 63 7.605 -3.182 -7.304 1.00 0.00 H new ATOM 0 HB3 PHE A 63 7.943 -4.601 -8.274 1.00 0.00 H new ATOM 0 HD1 PHE A 63 6.397 -4.048 -4.900 1.00 0.00 H new ATOM 0 HD2 PHE A 63 6.027 -5.788 -8.770 1.00 0.00 H new ATOM 0 HE1 PHE A 63 4.224 -5.000 -4.261 1.00 0.00 H new ATOM 0 HE2 PHE A 63 3.852 -6.739 -8.136 1.00 0.00 H new ATOM 0 HZ PHE A 63 2.950 -6.352 -5.878 1.00 0.00 H new ATOM 925 N HIS A 64 9.290 -6.993 -5.910 1.00 0.00 N ATOM 926 CA HIS A 64 9.834 -8.315 -6.204 1.00 0.00 C ATOM 927 C HIS A 64 9.007 -9.405 -5.529 1.00 0.00 C ATOM 928 O HIS A 64 8.722 -9.329 -4.334 1.00 0.00 O ATOM 929 CB HIS A 64 11.290 -8.404 -5.746 1.00 0.00 C ATOM 930 CG HIS A 64 12.072 -9.474 -6.443 1.00 0.00 C ATOM 931 ND1 HIS A 64 12.732 -10.550 -5.954 1.00 0.00 N flip ATOM 932 CD2 HIS A 64 12.244 -9.511 -7.811 1.00 0.00 C flip ATOM 933 CE1 HIS A 64 13.284 -11.211 -7.023 1.00 0.00 C flip ATOM 934 NE2 HIS A 64 12.975 -10.564 -8.133 1.00 0.00 N flip ATOM 0 H HIS A 64 8.792 -6.930 -5.022 1.00 0.00 H new ATOM 0 HA HIS A 64 9.791 -8.467 -7.282 1.00 0.00 H new ATOM 0 HB2 HIS A 64 11.775 -7.443 -5.915 1.00 0.00 H new ATOM 0 HB3 HIS A 64 11.314 -8.589 -4.672 1.00 0.00 H new ATOM 0 HD2 HIS A 64 11.844 -8.792 -8.510 1.00 0.00 H new ATOM 0 HE1 HIS A 64 13.875 -12.113 -6.966 1.00 0.00 H new ATOM 0 HE2 HIS A 64 13.253 -10.832 -9.077 1.00 0.00 H new ATOM 942 N GLN A 65 8.626 -10.416 -6.302 1.00 0.00 N ATOM 943 CA GLN A 65 7.831 -11.521 -5.778 1.00 0.00 C ATOM 944 C GLN A 65 6.552 -11.008 -5.125 1.00 0.00 C ATOM 945 O GLN A 65 6.210 -11.408 -4.012 1.00 0.00 O ATOM 946 CB GLN A 65 8.646 -12.328 -4.767 1.00 0.00 C ATOM 947 CG GLN A 65 9.964 -12.845 -5.322 1.00 0.00 C ATOM 948 CD GLN A 65 9.791 -14.086 -6.175 1.00 0.00 C ATOM 949 OE1 GLN A 65 8.678 -14.581 -6.353 1.00 0.00 O ATOM 950 NE2 GLN A 65 10.895 -14.597 -6.709 1.00 0.00 N ATOM 0 H GLN A 65 8.855 -10.493 -7.293 1.00 0.00 H new ATOM 0 HA GLN A 65 7.558 -12.168 -6.612 1.00 0.00 H new ATOM 0 HB2 GLN A 65 8.848 -11.705 -3.895 1.00 0.00 H new ATOM 0 HB3 GLN A 65 8.049 -13.173 -4.424 1.00 0.00 H new ATOM 0 HG2 GLN A 65 10.435 -12.063 -5.917 1.00 0.00 H new ATOM 0 HG3 GLN A 65 10.639 -13.068 -4.496 1.00 0.00 H new ATOM 0 HE21 GLN A 65 11.797 -14.154 -6.536 1.00 0.00 H new ATOM 0 HE22 GLN A 65 10.840 -15.432 -7.292 1.00 0.00 H new ATOM 959 N GLU A 66 5.850 -10.122 -5.824 1.00 0.00 N ATOM 960 CA GLU A 66 4.609 -9.554 -5.310 1.00 0.00 C ATOM 961 C GLU A 66 4.823 -8.938 -3.930 1.00 0.00 C ATOM 962 O GLU A 66 3.905 -8.889 -3.113 1.00 0.00 O ATOM 963 CB GLU A 66 3.522 -10.629 -5.237 1.00 0.00 C ATOM 964 CG GLU A 66 2.944 -11.002 -6.592 1.00 0.00 C ATOM 965 CD GLU A 66 1.960 -9.971 -7.109 1.00 0.00 C ATOM 966 OE1 GLU A 66 1.012 -9.631 -6.371 1.00 0.00 O ATOM 967 OE2 GLU A 66 2.138 -9.503 -8.254 1.00 0.00 O ATOM 0 H GLU A 66 6.119 -9.782 -6.747 1.00 0.00 H new ATOM 0 HA GLU A 66 4.288 -8.768 -5.994 1.00 0.00 H new ATOM 0 HB2 GLU A 66 3.937 -11.522 -4.770 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.717 -10.277 -4.592 1.00 0.00 H new ATOM 0 HG2 GLU A 66 3.756 -11.116 -7.310 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.446 -11.969 -6.517 1.00 0.00 H new ATOM 974 N GLN A 67 6.042 -8.470 -3.680 1.00 0.00 N ATOM 975 CA GLN A 67 6.377 -7.858 -2.400 1.00 0.00 C ATOM 976 C GLN A 67 7.205 -6.593 -2.601 1.00 0.00 C ATOM 977 O GLN A 67 7.552 -6.238 -3.728 1.00 0.00 O ATOM 978 CB GLN A 67 7.143 -8.849 -1.522 1.00 0.00 C ATOM 979 CG GLN A 67 6.242 -9.735 -0.676 1.00 0.00 C ATOM 980 CD GLN A 67 5.299 -8.938 0.203 1.00 0.00 C ATOM 981 OE1 GLN A 67 5.548 -7.770 0.503 1.00 0.00 O ATOM 982 NE2 GLN A 67 4.207 -9.567 0.621 1.00 0.00 N ATOM 0 H GLN A 67 6.813 -8.503 -4.347 1.00 0.00 H new ATOM 0 HA GLN A 67 5.447 -7.586 -1.902 1.00 0.00 H new ATOM 0 HB2 GLN A 67 7.765 -9.479 -2.158 1.00 0.00 H new ATOM 0 HB3 GLN A 67 7.815 -8.296 -0.866 1.00 0.00 H new ATOM 0 HG2 GLN A 67 5.661 -10.385 -1.330 1.00 0.00 H new ATOM 0 HG3 GLN A 67 6.858 -10.381 -0.050 1.00 0.00 H new ATOM 0 HE21 GLN A 67 4.040 -10.536 0.348 1.00 0.00 H new ATOM 0 HE22 GLN A 67 3.535 -9.082 1.215 1.00 0.00 H new ATOM 991 N VAL A 68 7.518 -5.915 -1.501 1.00 0.00 N ATOM 992 CA VAL A 68 8.306 -4.690 -1.557 1.00 0.00 C ATOM 993 C VAL A 68 9.634 -4.857 -0.827 1.00 0.00 C ATOM 994 O VAL A 68 9.689 -5.436 0.259 1.00 0.00 O ATOM 995 CB VAL A 68 7.541 -3.502 -0.943 1.00 0.00 C ATOM 996 CG1 VAL A 68 8.336 -2.215 -1.101 1.00 0.00 C ATOM 997 CG2 VAL A 68 6.165 -3.370 -1.577 1.00 0.00 C ATOM 0 H VAL A 68 7.238 -6.194 -0.561 1.00 0.00 H new ATOM 0 HA VAL A 68 8.497 -4.484 -2.610 1.00 0.00 H new ATOM 0 HB VAL A 68 7.408 -3.690 0.123 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.780 -1.387 -0.661 1.00 0.00 H new ATOM 0 HG12 VAL A 68 9.296 -2.316 -0.595 1.00 0.00 H new ATOM 0 HG13 VAL A 68 8.503 -2.018 -2.160 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.639 -2.526 -1.131 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.273 -3.206 -2.649 1.00 0.00 H new ATOM 0 HG23 VAL A 68 5.596 -4.284 -1.405 1.00 0.00 H new ATOM 1007 N TYR A 69 10.702 -4.346 -1.429 1.00 0.00 N ATOM 1008 CA TYR A 69 12.031 -4.440 -0.837 1.00 0.00 C ATOM 1009 C TYR A 69 12.861 -3.202 -1.162 1.00 0.00 C ATOM 1010 O TYR A 69 13.084 -2.877 -2.329 1.00 0.00 O ATOM 1011 CB TYR A 69 12.748 -5.694 -1.339 1.00 0.00 C ATOM 1012 CG TYR A 69 12.112 -6.984 -0.872 1.00 0.00 C ATOM 1013 CD1 TYR A 69 12.495 -7.575 0.326 1.00 0.00 C ATOM 1014 CD2 TYR A 69 11.129 -7.611 -1.627 1.00 0.00 C ATOM 1015 CE1 TYR A 69 11.917 -8.754 0.757 1.00 0.00 C ATOM 1016 CE2 TYR A 69 10.545 -8.788 -1.203 1.00 0.00 C ATOM 1017 CZ TYR A 69 10.942 -9.356 -0.011 1.00 0.00 C ATOM 1018 OH TYR A 69 10.363 -10.530 0.414 1.00 0.00 O ATOM 0 H TYR A 69 10.673 -3.862 -2.327 1.00 0.00 H new ATOM 0 HA TYR A 69 11.915 -4.504 0.245 1.00 0.00 H new ATOM 0 HB2 TYR A 69 12.765 -5.681 -2.429 1.00 0.00 H new ATOM 0 HB3 TYR A 69 13.785 -5.668 -1.004 1.00 0.00 H new ATOM 0 HD1 TYR A 69 13.257 -7.105 0.930 1.00 0.00 H new ATOM 0 HD2 TYR A 69 10.816 -7.170 -2.562 1.00 0.00 H new ATOM 0 HE1 TYR A 69 12.227 -9.202 1.690 1.00 0.00 H new ATOM 0 HE2 TYR A 69 9.781 -9.261 -1.802 1.00 0.00 H new ATOM 0 HH TYR A 69 9.695 -10.821 -0.241 1.00 0.00 H new ATOM 1028 N CYS A 70 13.316 -2.513 -0.121 1.00 0.00 N ATOM 1029 CA CYS A 70 14.122 -1.310 -0.293 1.00 0.00 C ATOM 1030 C CYS A 70 15.290 -1.568 -1.240 1.00 0.00 C ATOM 1031 O CYS A 70 15.705 -2.707 -1.458 1.00 0.00 O ATOM 1032 CB CYS A 70 14.646 -0.825 1.060 1.00 0.00 C ATOM 1033 SG CYS A 70 15.380 -2.138 2.088 1.00 0.00 S ATOM 0 H CYS A 70 13.140 -2.767 0.851 1.00 0.00 H new ATOM 0 HA CYS A 70 13.488 -0.537 -0.728 1.00 0.00 H new ATOM 0 HB2 CYS A 70 15.394 -0.050 0.891 1.00 0.00 H new ATOM 0 HB3 CYS A 70 13.826 -0.363 1.610 1.00 0.00 H new ATOM 0 HG CYS A 70 14.488 -3.053 2.325 1.00 0.00 H new ATOM 1038 N PRO A 71 15.834 -0.486 -1.818 1.00 0.00 N ATOM 1039 CA PRO A 71 16.961 -0.569 -2.750 1.00 0.00 C ATOM 1040 C PRO A 71 18.088 -1.450 -2.221 1.00 0.00 C ATOM 1041 O PRO A 71 18.719 -2.189 -2.977 1.00 0.00 O ATOM 1042 CB PRO A 71 17.430 0.883 -2.871 1.00 0.00 C ATOM 1043 CG PRO A 71 16.221 1.697 -2.562 1.00 0.00 C ATOM 1044 CD PRO A 71 15.389 0.901 -1.604 1.00 0.00 C ATOM 0 HA PRO A 71 16.671 -1.018 -3.700 1.00 0.00 H new ATOM 0 HB2 PRO A 71 18.240 1.097 -2.174 1.00 0.00 H new ATOM 0 HB3 PRO A 71 17.806 1.096 -3.872 1.00 0.00 H new ATOM 0 HG2 PRO A 71 16.503 2.655 -2.124 1.00 0.00 H new ATOM 0 HG3 PRO A 71 15.660 1.915 -3.471 1.00 0.00 H new ATOM 0 HD2 PRO A 71 15.552 1.219 -0.574 1.00 0.00 H new ATOM 0 HD3 PRO A 71 14.324 1.015 -1.809 1.00 0.00 H new ATOM 1052 N ASP A 72 18.335 -1.367 -0.918 1.00 0.00 N ATOM 1053 CA ASP A 72 19.385 -2.158 -0.287 1.00 0.00 C ATOM 1054 C ASP A 72 19.048 -3.645 -0.334 1.00 0.00 C ATOM 1055 O ASP A 72 19.717 -4.423 -1.015 1.00 0.00 O ATOM 1056 CB ASP A 72 19.587 -1.714 1.162 1.00 0.00 C ATOM 1057 CG ASP A 72 20.902 -2.199 1.739 1.00 0.00 C ATOM 1058 OD1 ASP A 72 21.926 -2.118 1.030 1.00 0.00 O ATOM 1059 OD2 ASP A 72 20.907 -2.662 2.899 1.00 0.00 O ATOM 0 H ASP A 72 17.822 -0.760 -0.278 1.00 0.00 H new ATOM 0 HA ASP A 72 20.310 -1.996 -0.841 1.00 0.00 H new ATOM 0 HB2 ASP A 72 19.550 -0.626 1.214 1.00 0.00 H new ATOM 0 HB3 ASP A 72 18.766 -2.090 1.772 1.00 0.00 H new ATOM 1064 N CYS A 73 18.007 -4.034 0.394 1.00 0.00 N ATOM 1065 CA CYS A 73 17.581 -5.428 0.438 1.00 0.00 C ATOM 1066 C CYS A 73 17.394 -5.983 -0.971 1.00 0.00 C ATOM 1067 O CYS A 73 17.663 -7.157 -1.227 1.00 0.00 O ATOM 1068 CB CYS A 73 16.277 -5.560 1.227 1.00 0.00 C ATOM 1069 SG CYS A 73 16.491 -5.485 3.035 1.00 0.00 S ATOM 0 H CYS A 73 17.442 -3.403 0.962 1.00 0.00 H new ATOM 0 HA CYS A 73 18.360 -6.005 0.937 1.00 0.00 H new ATOM 0 HB2 CYS A 73 15.597 -4.766 0.919 1.00 0.00 H new ATOM 0 HB3 CYS A 73 15.802 -6.506 0.967 1.00 0.00 H new ATOM 0 HG CYS A 73 16.683 -6.684 3.499 1.00 0.00 H new ATOM 1074 N ALA A 74 16.932 -5.132 -1.881 1.00 0.00 N ATOM 1075 CA ALA A 74 16.711 -5.536 -3.263 1.00 0.00 C ATOM 1076 C ALA A 74 17.989 -6.091 -3.884 1.00 0.00 C ATOM 1077 O ALA A 74 17.951 -7.052 -4.654 1.00 0.00 O ATOM 1078 CB ALA A 74 16.192 -4.362 -4.081 1.00 0.00 C ATOM 0 H ALA A 74 16.703 -4.157 -1.685 1.00 0.00 H new ATOM 0 HA ALA A 74 15.962 -6.327 -3.268 1.00 0.00 H new ATOM 0 HB1 ALA A 74 16.032 -4.679 -5.111 1.00 0.00 H new ATOM 0 HB2 ALA A 74 15.250 -4.012 -3.658 1.00 0.00 H new ATOM 0 HB3 ALA A 74 16.922 -3.553 -4.060 1.00 0.00 H new ATOM 1084 N LYS A 75 19.119 -5.481 -3.544 1.00 0.00 N ATOM 1085 CA LYS A 75 20.410 -5.914 -4.067 1.00 0.00 C ATOM 1086 C LYS A 75 20.675 -7.376 -3.720 1.00 0.00 C ATOM 1087 O LYS A 75 21.336 -8.093 -4.471 1.00 0.00 O ATOM 1088 CB LYS A 75 21.530 -5.035 -3.508 1.00 0.00 C ATOM 1089 CG LYS A 75 21.480 -3.599 -4.001 1.00 0.00 C ATOM 1090 CD LYS A 75 22.869 -2.987 -4.079 1.00 0.00 C ATOM 1091 CE LYS A 75 22.828 -1.584 -4.663 1.00 0.00 C ATOM 1092 NZ LYS A 75 24.194 -1.045 -4.909 1.00 0.00 N ATOM 0 H LYS A 75 19.167 -4.685 -2.908 1.00 0.00 H new ATOM 0 HA LYS A 75 20.386 -5.815 -5.152 1.00 0.00 H new ATOM 0 HB2 LYS A 75 21.474 -5.039 -2.419 1.00 0.00 H new ATOM 0 HB3 LYS A 75 22.492 -5.470 -3.779 1.00 0.00 H new ATOM 0 HG2 LYS A 75 21.012 -3.567 -4.985 1.00 0.00 H new ATOM 0 HG3 LYS A 75 20.857 -3.005 -3.332 1.00 0.00 H new ATOM 0 HD2 LYS A 75 23.310 -2.955 -3.083 1.00 0.00 H new ATOM 0 HD3 LYS A 75 23.512 -3.619 -4.692 1.00 0.00 H new ATOM 0 HE2 LYS A 75 22.269 -1.596 -5.598 1.00 0.00 H new ATOM 0 HE3 LYS A 75 22.294 -0.922 -3.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 24.123 -0.087 -5.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 24.720 -1.009 -4.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 24.695 -1.662 -5.580 1.00 0.00 H new ATOM 1106 N LYS A 76 20.154 -7.812 -2.578 1.00 0.00 N ATOM 1107 CA LYS A 76 20.331 -9.188 -2.132 1.00 0.00 C ATOM 1108 C LYS A 76 19.476 -10.143 -2.959 1.00 0.00 C ATOM 1109 O LYS A 76 19.803 -11.322 -3.099 1.00 0.00 O ATOM 1110 CB LYS A 76 19.969 -9.317 -0.650 1.00 0.00 C ATOM 1111 CG LYS A 76 20.617 -8.260 0.228 1.00 0.00 C ATOM 1112 CD LYS A 76 20.211 -8.419 1.683 1.00 0.00 C ATOM 1113 CE LYS A 76 21.107 -9.413 2.407 1.00 0.00 C ATOM 1114 NZ LYS A 76 22.446 -8.836 2.708 1.00 0.00 N ATOM 0 H LYS A 76 19.605 -7.231 -1.944 1.00 0.00 H new ATOM 0 HA LYS A 76 21.379 -9.455 -2.269 1.00 0.00 H new ATOM 0 HB2 LYS A 76 18.886 -9.253 -0.542 1.00 0.00 H new ATOM 0 HB3 LYS A 76 20.267 -10.304 -0.296 1.00 0.00 H new ATOM 0 HG2 LYS A 76 21.701 -8.329 0.142 1.00 0.00 H new ATOM 0 HG3 LYS A 76 20.332 -7.269 -0.124 1.00 0.00 H new ATOM 0 HD2 LYS A 76 20.260 -7.452 2.183 1.00 0.00 H new ATOM 0 HD3 LYS A 76 19.175 -8.754 1.738 1.00 0.00 H new ATOM 0 HE2 LYS A 76 20.628 -9.724 3.336 1.00 0.00 H new ATOM 0 HE3 LYS A 76 21.226 -10.307 1.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 22.958 -9.466 3.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 22.987 -8.736 1.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 22.330 -7.902 3.151 1.00 0.00 H new ATOM 1128 N LEU A 77 18.382 -9.626 -3.507 1.00 0.00 N ATOM 1129 CA LEU A 77 17.480 -10.432 -4.322 1.00 0.00 C ATOM 1130 C LEU A 77 18.092 -10.718 -5.690 1.00 0.00 C ATOM 1131 O LEU A 77 18.105 -9.854 -6.567 1.00 0.00 O ATOM 1132 CB LEU A 77 16.137 -9.720 -4.490 1.00 0.00 C ATOM 1133 CG LEU A 77 15.541 -9.105 -3.223 1.00 0.00 C ATOM 1134 CD1 LEU A 77 14.241 -8.383 -3.542 1.00 0.00 C ATOM 1135 CD2 LEU A 77 15.312 -10.177 -2.167 1.00 0.00 C ATOM 0 H LEU A 77 18.098 -8.652 -3.402 1.00 0.00 H new ATOM 0 HA LEU A 77 17.319 -11.381 -3.811 1.00 0.00 H new ATOM 0 HB2 LEU A 77 16.257 -8.930 -5.231 1.00 0.00 H new ATOM 0 HB3 LEU A 77 15.419 -10.432 -4.897 1.00 0.00 H new ATOM 0 HG LEU A 77 16.250 -8.378 -2.826 1.00 0.00 H new ATOM 0 HD11 LEU A 77 13.831 -7.952 -2.629 1.00 0.00 H new ATOM 0 HD12 LEU A 77 14.433 -7.589 -4.264 1.00 0.00 H new ATOM 0 HD13 LEU A 77 13.526 -9.090 -3.962 1.00 0.00 H new ATOM 0 HD21 LEU A 77 14.888 -9.722 -1.272 1.00 0.00 H new ATOM 0 HD22 LEU A 77 14.623 -10.928 -2.554 1.00 0.00 H new ATOM 0 HD23 LEU A 77 16.261 -10.651 -1.917 1.00 0.00 H new