USER MOD reduce.3.24.130724 H: found=0, std=0, add=1131, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1119 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 59 SER OG : rot 157:sc= 1.05 USER MOD Set 1.2: B 575 CYS SG : rot -120:sc= 0.268 USER MOD Set 1.3: B 578 CYS SG : rot 45:sc= 0.851 USER MOD Set 1.4: B 596 CYS SG : rot 60:sc= -1.31 USER MOD Set 1.5: B 599 CYS SG : rot 129:sc= 1.19 USER MOD Set 2.1: B 562 THR OG1 : rot 179:sc= 0.115 USER MOD Set 2.2: B 567 LYS NZ :NH3+ 142:sc= 0.116 (180deg=0) USER MOD Set 3.1: B 549 CYS SG : rot 20:sc= -3.01! USER MOD Set 3.2: B 552 CYS SG : rot -35:sc= -1.28 USER MOD Set 3.3: B 569 HIS : no HE2:sc= -0.0505 K(o=-5.8,f=-11) USER MOD Set 3.4: B 572 HIS : no HD1:sc= -1.45 K(o=-5.8,f=-8.1) USER MOD Set 4.1: A 74 LYS NZ :NH3+ 153:sc= -2.76! (180deg=-3.21!) USER MOD Set 4.2: A 81 LYS NZ :NH3+ 162:sc= -3.71 (180deg=-4.4!) USER MOD Single : A 17 THR OG1 : rot 48:sc= -5.92! USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -5.04! C(o=-5!,f=-5.1!) USER MOD Single : A 25 THR OG1 : rot 116:sc= -0.86 USER MOD Single : A 28 ASN : amide:sc= -2.89! K(o=-2.9!,f=-1.4) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -170:sc= -1.83 USER MOD Single : A 40 HIS : no HD1:sc= 0.339 K(o=0.34,f=-1.8!) USER MOD Single : A 45 MET CE :methyl 136:sc= -1.74 (180deg=-6.26!) USER MOD Single : A 47 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0309) USER MOD Single : A 51 LYS NZ :NH3+ -105:sc= -4.19! (180deg=-7.9!) USER MOD Single : A 55 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.115) USER MOD Single : A 56 LYS NZ :NH3+ -111:sc= -2.18 (180deg=-7.17!) USER MOD Single : A 61 HIS : no HE2:sc= -3.31! X(o=-3.3!,f=-3.7) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.171 USER MOD Single : A 75 THR OG1 : rot 93:sc= 0.0211 USER MOD Single : A 76 HIS : no HD1:sc= -0.748! C(o=-0.75!,f=-4.1!) USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.169 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -2.45! K(o=-2.5!,f=-1.4) USER MOD Single : A 89 LYS NZ :NH3+ 159:sc=-0.00201 (180deg=-0.377) USER MOD Single : A 91 GLN : amide:sc= -7.71! C(o=-7.7!,f=-12!) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : B 547 SER OG : rot 180:sc= 0 USER MOD Single : B 550 SER OG : rot 180:sc= 0 USER MOD Single : B 553 GLN : amide:sc= -3.42! K(o=-3.4!,f=-1.2) USER MOD Single : B 554 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.145) USER MOD Single : B 557 THR OG1 : rot 58:sc= 0.857 USER MOD Single : B 560 CYS SG : rot 35:sc= 0.194 USER MOD Single : B 564 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 566 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 580 LYS NZ :NH3+ 156:sc= -0.103 (180deg=-1.05) USER MOD Single : B 581 GLN : amide:sc= -5.57! C(o=-5.6!,f=-2.4!) USER MOD Single : B 583 ASN : amide:sc= -2.04! C(o=-2!,f=-4.2!) USER MOD Single : B 584 LYS NZ :NH3+ 160:sc= -1.01 (180deg=-2.06!) USER MOD Single : B 586 THR OG1 : rot 66:sc= 0.355 USER MOD Single : B 588 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 590 GLN : amide:sc= 0.694 K(o=0.69,f=-2.5!) USER MOD Single : B 591 ASN : amide:sc= -11.9! C(o=-12!,f=-7.2!) USER MOD Single : B 593 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 595 TYR OH : rot 180:sc= 0 USER MOD Single : B 597 GLN : amide:sc= -4.64! K(o=-4.6!,f=-0.082) USER MOD Single : B 598 ASN : amide:sc= -0.621 X(o=-0.62,f=-0.53) USER MOD Single : B 602 LYS NZ :NH3+ -135:sc= -0.306 (180deg=-1.57!) USER MOD Single : B 605 CYS SG : rot 19:sc= 0.0772! USER MOD ----------------------------------------------------------------- ATOM 213 N GLY A 16 89.710 -13.300 13.671 1.00 0.00 N ATOM 214 CA GLY A 16 90.478 -12.837 12.483 1.00 0.00 C ATOM 215 C GLY A 16 90.167 -11.365 12.236 1.00 0.00 C ATOM 216 O GLY A 16 89.931 -10.947 11.120 1.00 0.00 O ATOM 0 HA2 GLY A 16 91.547 -12.974 12.648 1.00 0.00 H new ATOM 0 HA3 GLY A 16 90.212 -13.430 11.608 1.00 0.00 H new ATOM 220 N THR A 17 90.153 -10.578 13.272 1.00 0.00 N ATOM 221 CA THR A 17 89.843 -9.137 13.099 1.00 0.00 C ATOM 222 C THR A 17 91.048 -8.400 12.534 1.00 0.00 C ATOM 223 O THR A 17 92.135 -8.434 13.075 1.00 0.00 O ATOM 224 CB THR A 17 89.484 -8.497 14.440 1.00 0.00 C ATOM 225 OG1 THR A 17 89.709 -7.105 14.350 1.00 0.00 O ATOM 226 CG2 THR A 17 90.360 -9.087 15.540 1.00 0.00 C ATOM 0 H THR A 17 90.343 -10.871 14.230 1.00 0.00 H new ATOM 0 HA THR A 17 88.999 -9.062 12.413 1.00 0.00 H new ATOM 0 HB THR A 17 88.438 -8.691 14.677 1.00 0.00 H new ATOM 0 HG1 THR A 17 89.303 -6.761 13.527 1.00 0.00 H new ATOM 0 HG21 THR A 17 90.102 -8.629 16.495 1.00 0.00 H new ATOM 0 HG22 THR A 17 90.196 -10.163 15.597 1.00 0.00 H new ATOM 0 HG23 THR A 17 91.408 -8.891 15.315 1.00 0.00 H new ATOM 234 N TRP A 18 90.831 -7.703 11.465 1.00 0.00 N ATOM 235 CA TRP A 18 91.904 -6.894 10.829 1.00 0.00 C ATOM 236 C TRP A 18 91.331 -5.498 10.589 1.00 0.00 C ATOM 237 O TRP A 18 90.351 -5.334 9.890 1.00 0.00 O ATOM 238 CB TRP A 18 92.338 -7.531 9.493 1.00 0.00 C ATOM 239 CG TRP A 18 91.303 -8.496 8.998 1.00 0.00 C ATOM 240 CD1 TRP A 18 90.117 -8.156 8.439 1.00 0.00 C ATOM 241 CD2 TRP A 18 91.351 -9.953 8.997 1.00 0.00 C ATOM 242 NE1 TRP A 18 89.437 -9.313 8.094 1.00 0.00 N ATOM 243 CE2 TRP A 18 90.156 -10.445 8.422 1.00 0.00 C ATOM 244 CE3 TRP A 18 92.308 -10.885 9.437 1.00 0.00 C ATOM 245 CZ2 TRP A 18 89.919 -11.813 8.287 1.00 0.00 C ATOM 246 CZ3 TRP A 18 92.072 -12.264 9.303 1.00 0.00 C ATOM 247 CH2 TRP A 18 90.880 -12.726 8.729 1.00 0.00 C ATOM 0 H TRP A 18 89.930 -7.656 10.989 1.00 0.00 H new ATOM 0 HA TRP A 18 92.783 -6.847 11.471 1.00 0.00 H new ATOM 0 HB2 TRP A 18 92.499 -6.751 8.749 1.00 0.00 H new ATOM 0 HB3 TRP A 18 93.289 -8.047 9.624 1.00 0.00 H new ATOM 0 HD1 TRP A 18 89.760 -7.148 8.287 1.00 0.00 H new ATOM 0 HE1 TRP A 18 88.518 -9.327 7.652 1.00 0.00 H new ATOM 0 HE3 TRP A 18 93.230 -10.539 9.881 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 88.999 -12.164 7.844 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 92.813 -12.971 9.644 1.00 0.00 H new ATOM 0 HH2 TRP A 18 90.704 -13.787 8.628 1.00 0.00 H new ATOM 258 N GLU A 19 91.920 -4.494 11.168 1.00 0.00 N ATOM 259 CA GLU A 19 91.378 -3.121 10.966 1.00 0.00 C ATOM 260 C GLU A 19 91.725 -2.653 9.560 1.00 0.00 C ATOM 261 O GLU A 19 92.867 -2.685 9.146 1.00 0.00 O ATOM 262 CB GLU A 19 91.941 -2.129 12.018 1.00 0.00 C ATOM 263 CG GLU A 19 93.122 -2.750 12.751 1.00 0.00 C ATOM 264 CD GLU A 19 94.182 -3.197 11.741 1.00 0.00 C ATOM 265 OE1 GLU A 19 94.530 -4.366 11.757 1.00 0.00 O ATOM 266 OE2 GLU A 19 94.627 -2.363 10.971 1.00 0.00 O ATOM 0 H GLU A 19 92.744 -4.560 11.766 1.00 0.00 H new ATOM 0 HA GLU A 19 90.296 -3.150 11.091 1.00 0.00 H new ATOM 0 HB2 GLU A 19 92.253 -1.207 11.528 1.00 0.00 H new ATOM 0 HB3 GLU A 19 91.161 -1.863 12.731 1.00 0.00 H new ATOM 0 HG2 GLU A 19 93.551 -2.028 13.446 1.00 0.00 H new ATOM 0 HG3 GLU A 19 92.787 -3.602 13.342 1.00 0.00 H new ATOM 273 N LEU A 20 90.748 -2.208 8.823 1.00 0.00 N ATOM 274 CA LEU A 20 91.028 -1.727 7.449 1.00 0.00 C ATOM 275 C LEU A 20 91.494 -0.283 7.554 1.00 0.00 C ATOM 276 O LEU A 20 90.914 0.512 8.256 1.00 0.00 O ATOM 277 CB LEU A 20 89.744 -1.817 6.588 1.00 0.00 C ATOM 278 CG LEU A 20 89.973 -2.737 5.373 1.00 0.00 C ATOM 279 CD1 LEU A 20 91.173 -2.236 4.536 1.00 0.00 C ATOM 280 CD2 LEU A 20 90.221 -4.188 5.857 1.00 0.00 C ATOM 0 H LEU A 20 89.772 -2.158 9.114 1.00 0.00 H new ATOM 0 HA LEU A 20 91.796 -2.338 6.975 1.00 0.00 H new ATOM 0 HB2 LEU A 20 88.921 -2.199 7.191 1.00 0.00 H new ATOM 0 HB3 LEU A 20 89.456 -0.822 6.249 1.00 0.00 H new ATOM 0 HG LEU A 20 89.085 -2.720 4.742 1.00 0.00 H new ATOM 0 HD11 LEU A 20 91.322 -2.896 3.682 1.00 0.00 H new ATOM 0 HD12 LEU A 20 90.973 -1.225 4.182 1.00 0.00 H new ATOM 0 HD13 LEU A 20 92.071 -2.233 5.153 1.00 0.00 H new ATOM 0 HD21 LEU A 20 90.383 -4.836 4.996 1.00 0.00 H new ATOM 0 HD22 LEU A 20 91.101 -4.212 6.499 1.00 0.00 H new ATOM 0 HD23 LEU A 20 89.354 -4.538 6.417 1.00 0.00 H new ATOM 292 N SER A 21 92.536 0.057 6.866 1.00 0.00 N ATOM 293 CA SER A 21 93.041 1.448 6.940 1.00 0.00 C ATOM 294 C SER A 21 92.173 2.347 6.078 1.00 0.00 C ATOM 295 O SER A 21 91.688 1.948 5.037 1.00 0.00 O ATOM 296 CB SER A 21 94.482 1.492 6.433 1.00 0.00 C ATOM 297 OG SER A 21 95.163 2.578 7.048 1.00 0.00 O ATOM 0 H SER A 21 93.062 -0.567 6.254 1.00 0.00 H new ATOM 0 HA SER A 21 93.008 1.794 7.973 1.00 0.00 H new ATOM 0 HB2 SER A 21 94.989 0.554 6.661 1.00 0.00 H new ATOM 0 HB3 SER A 21 94.495 1.606 5.349 1.00 0.00 H new ATOM 0 HG SER A 21 96.088 2.608 6.726 1.00 0.00 H new ATOM 303 N VAL A 22 91.987 3.564 6.501 1.00 0.00 N ATOM 304 CA VAL A 22 91.161 4.517 5.704 1.00 0.00 C ATOM 305 C VAL A 22 91.847 5.877 5.666 1.00 0.00 C ATOM 306 O VAL A 22 91.825 6.632 6.617 1.00 0.00 O ATOM 307 CB VAL A 22 89.754 4.647 6.312 1.00 0.00 C ATOM 308 CG1 VAL A 22 89.043 5.893 5.766 1.00 0.00 C ATOM 309 CG2 VAL A 22 88.930 3.427 5.920 1.00 0.00 C ATOM 0 H VAL A 22 92.371 3.943 7.366 1.00 0.00 H new ATOM 0 HA VAL A 22 91.061 4.137 4.687 1.00 0.00 H new ATOM 0 HB VAL A 22 89.850 4.726 7.395 1.00 0.00 H new ATOM 0 HG11 VAL A 22 88.049 5.968 6.208 1.00 0.00 H new ATOM 0 HG12 VAL A 22 89.621 6.782 6.020 1.00 0.00 H new ATOM 0 HG13 VAL A 22 88.953 5.815 4.682 1.00 0.00 H new ATOM 0 HG21 VAL A 22 87.931 3.511 6.347 1.00 0.00 H new ATOM 0 HG22 VAL A 22 88.857 3.371 4.834 1.00 0.00 H new ATOM 0 HG23 VAL A 22 89.412 2.526 6.298 1.00 0.00 H new ATOM 319 N HIS A 23 92.424 6.197 4.551 1.00 0.00 N ATOM 320 CA HIS A 23 93.084 7.511 4.400 1.00 0.00 C ATOM 321 C HIS A 23 91.986 8.541 4.146 1.00 0.00 C ATOM 322 O HIS A 23 91.448 8.622 3.060 1.00 0.00 O ATOM 323 CB HIS A 23 94.023 7.433 3.189 1.00 0.00 C ATOM 324 CG HIS A 23 95.387 6.952 3.613 1.00 0.00 C ATOM 325 ND1 HIS A 23 95.599 5.679 4.118 1.00 0.00 N ATOM 326 CD2 HIS A 23 96.618 7.562 3.605 1.00 0.00 C ATOM 327 CE1 HIS A 23 96.912 5.563 4.389 1.00 0.00 C ATOM 328 NE2 HIS A 23 97.579 6.683 4.094 1.00 0.00 N ATOM 0 H HIS A 23 92.467 5.596 3.728 1.00 0.00 H new ATOM 0 HA HIS A 23 93.658 7.786 5.285 1.00 0.00 H new ATOM 0 HB2 HIS A 23 93.608 6.757 2.442 1.00 0.00 H new ATOM 0 HB3 HIS A 23 94.105 8.414 2.721 1.00 0.00 H new ATOM 0 HD2 HIS A 23 96.810 8.571 3.270 1.00 0.00 H new ATOM 0 HE1 HIS A 23 97.371 4.674 4.795 1.00 0.00 H new ATOM 0 HE2 HIS A 23 98.578 6.856 4.204 1.00 0.00 H new ATOM 336 N VAL A 24 91.635 9.329 5.126 1.00 0.00 N ATOM 337 CA VAL A 24 90.564 10.325 4.887 1.00 0.00 C ATOM 338 C VAL A 24 91.132 11.421 3.993 1.00 0.00 C ATOM 339 O VAL A 24 92.028 12.143 4.374 1.00 0.00 O ATOM 340 CB VAL A 24 90.079 10.907 6.220 1.00 0.00 C ATOM 341 CG1 VAL A 24 88.684 11.511 6.036 1.00 0.00 C ATOM 342 CG2 VAL A 24 90.003 9.790 7.264 1.00 0.00 C ATOM 0 H VAL A 24 92.037 9.324 6.063 1.00 0.00 H new ATOM 0 HA VAL A 24 89.709 9.857 4.400 1.00 0.00 H new ATOM 0 HB VAL A 24 90.774 11.678 6.552 1.00 0.00 H new ATOM 0 HG11 VAL A 24 88.339 11.925 6.983 1.00 0.00 H new ATOM 0 HG12 VAL A 24 88.726 12.303 5.288 1.00 0.00 H new ATOM 0 HG13 VAL A 24 87.993 10.736 5.705 1.00 0.00 H new ATOM 0 HG21 VAL A 24 89.658 10.201 8.213 1.00 0.00 H new ATOM 0 HG22 VAL A 24 89.306 9.023 6.926 1.00 0.00 H new ATOM 0 HG23 VAL A 24 90.991 9.349 7.397 1.00 0.00 H new ATOM 352 N THR A 25 90.641 11.526 2.793 1.00 0.00 N ATOM 353 CA THR A 25 91.170 12.549 1.855 1.00 0.00 C ATOM 354 C THR A 25 90.541 13.912 2.162 1.00 0.00 C ATOM 355 O THR A 25 91.192 14.935 2.080 1.00 0.00 O ATOM 356 CB THR A 25 90.840 12.120 0.425 1.00 0.00 C ATOM 357 OG1 THR A 25 89.441 12.238 0.211 1.00 0.00 O ATOM 358 CG2 THR A 25 91.276 10.661 0.216 1.00 0.00 C ATOM 0 H THR A 25 89.891 10.944 2.420 1.00 0.00 H new ATOM 0 HA THR A 25 92.251 12.637 1.969 1.00 0.00 H new ATOM 0 HB THR A 25 91.369 12.758 -0.282 1.00 0.00 H new ATOM 0 HG1 THR A 25 89.271 12.916 -0.476 1.00 0.00 H new ATOM 0 HG21 THR A 25 91.041 10.354 -0.803 1.00 0.00 H new ATOM 0 HG22 THR A 25 92.350 10.575 0.383 1.00 0.00 H new ATOM 0 HG23 THR A 25 90.747 10.019 0.920 1.00 0.00 H new ATOM 366 N ASP A 26 89.287 13.941 2.529 1.00 0.00 N ATOM 367 CA ASP A 26 88.641 15.246 2.854 1.00 0.00 C ATOM 368 C ASP A 26 89.207 15.755 4.179 1.00 0.00 C ATOM 369 O ASP A 26 88.713 16.700 4.760 1.00 0.00 O ATOM 370 CB ASP A 26 87.126 15.056 2.993 1.00 0.00 C ATOM 371 CG ASP A 26 86.615 14.168 1.861 1.00 0.00 C ATOM 372 OD1 ASP A 26 86.388 14.691 0.784 1.00 0.00 O ATOM 373 OD2 ASP A 26 86.456 12.981 2.092 1.00 0.00 O ATOM 0 H ASP A 26 88.685 13.122 2.617 1.00 0.00 H new ATOM 0 HA ASP A 26 88.840 15.963 2.057 1.00 0.00 H new ATOM 0 HB2 ASP A 26 86.893 14.604 3.957 1.00 0.00 H new ATOM 0 HB3 ASP A 26 86.624 16.023 2.965 1.00 0.00 H new ATOM 378 N LEU A 27 90.234 15.113 4.667 1.00 0.00 N ATOM 379 CA LEU A 27 90.839 15.522 5.969 1.00 0.00 C ATOM 380 C LEU A 27 92.351 15.258 5.931 1.00 0.00 C ATOM 381 O LEU A 27 93.118 15.923 6.592 1.00 0.00 O ATOM 382 CB LEU A 27 90.184 14.680 7.082 1.00 0.00 C ATOM 383 CG LEU A 27 89.040 15.462 7.753 1.00 0.00 C ATOM 384 CD1 LEU A 27 88.061 14.481 8.401 1.00 0.00 C ATOM 385 CD2 LEU A 27 89.611 16.392 8.826 1.00 0.00 C ATOM 0 H LEU A 27 90.684 14.316 4.216 1.00 0.00 H new ATOM 0 HA LEU A 27 90.674 16.583 6.156 1.00 0.00 H new ATOM 0 HB2 LEU A 27 89.799 13.750 6.663 1.00 0.00 H new ATOM 0 HB3 LEU A 27 90.932 14.408 7.827 1.00 0.00 H new ATOM 0 HG LEU A 27 88.519 16.054 7.000 1.00 0.00 H new ATOM 0 HD11 LEU A 27 87.251 15.035 8.876 1.00 0.00 H new ATOM 0 HD12 LEU A 27 87.650 13.820 7.638 1.00 0.00 H new ATOM 0 HD13 LEU A 27 88.584 13.888 9.151 1.00 0.00 H new ATOM 0 HD21 LEU A 27 88.799 16.944 9.299 1.00 0.00 H new ATOM 0 HD22 LEU A 27 90.135 15.802 9.578 1.00 0.00 H new ATOM 0 HD23 LEU A 27 90.307 17.094 8.366 1.00 0.00 H new ATOM 397 N ASN A 28 92.761 14.278 5.170 1.00 0.00 N ATOM 398 CA ASN A 28 94.210 13.917 5.061 1.00 0.00 C ATOM 399 C ASN A 28 94.621 13.059 6.255 1.00 0.00 C ATOM 400 O ASN A 28 95.793 12.839 6.492 1.00 0.00 O ATOM 401 CB ASN A 28 95.093 15.174 5.011 1.00 0.00 C ATOM 402 CG ASN A 28 96.441 14.813 4.395 1.00 0.00 C ATOM 403 OD1 ASN A 28 97.145 15.661 3.884 1.00 0.00 O ATOM 404 ND2 ASN A 28 96.824 13.571 4.428 1.00 0.00 N ATOM 0 H ASN A 28 92.140 13.698 4.606 1.00 0.00 H new ATOM 0 HA ASN A 28 94.350 13.358 4.136 1.00 0.00 H new ATOM 0 HB2 ASN A 28 94.607 15.952 4.422 1.00 0.00 H new ATOM 0 HB3 ASN A 28 95.234 15.575 6.015 1.00 0.00 H new ATOM 0 HD21 ASN A 28 97.721 13.303 4.023 1.00 0.00 H new ATOM 0 HD22 ASN A 28 96.227 12.865 4.859 1.00 0.00 H new ATOM 411 N ARG A 29 93.678 12.568 7.013 1.00 0.00 N ATOM 412 CA ARG A 29 94.029 11.729 8.181 1.00 0.00 C ATOM 413 C ARG A 29 93.992 10.267 7.783 1.00 0.00 C ATOM 414 O ARG A 29 93.715 9.915 6.654 1.00 0.00 O ATOM 415 CB ARG A 29 93.013 11.937 9.289 1.00 0.00 C ATOM 416 CG ARG A 29 93.047 13.391 9.746 1.00 0.00 C ATOM 417 CD ARG A 29 91.909 13.642 10.740 1.00 0.00 C ATOM 418 NE ARG A 29 92.341 13.224 12.104 1.00 0.00 N ATOM 419 CZ ARG A 29 91.665 13.613 13.149 1.00 0.00 C ATOM 420 NH1 ARG A 29 92.041 13.244 14.344 1.00 0.00 N ATOM 421 NH2 ARG A 29 90.612 14.369 13.000 1.00 0.00 N ATOM 0 H ARG A 29 92.679 12.715 6.869 1.00 0.00 H new ATOM 0 HA ARG A 29 95.025 12.008 8.525 1.00 0.00 H new ATOM 0 HB2 ARG A 29 92.015 11.680 8.934 1.00 0.00 H new ATOM 0 HB3 ARG A 29 93.233 11.276 10.127 1.00 0.00 H new ATOM 0 HG2 ARG A 29 94.007 13.614 10.212 1.00 0.00 H new ATOM 0 HG3 ARG A 29 92.947 14.055 8.888 1.00 0.00 H new ATOM 0 HD2 ARG A 29 91.638 14.698 10.740 1.00 0.00 H new ATOM 0 HD3 ARG A 29 91.021 13.085 10.441 1.00 0.00 H new ATOM 0 HE ARG A 29 93.165 12.634 12.220 1.00 0.00 H new ATOM 0 HH11 ARG A 29 92.863 12.652 14.460 1.00 0.00 H new ATOM 0 HH12 ARG A 29 91.512 13.548 15.162 1.00 0.00 H new ATOM 0 HH21 ARG A 29 90.318 14.655 12.066 1.00 0.00 H new ATOM 0 HH22 ARG A 29 90.083 14.673 13.817 1.00 0.00 H new ATOM 435 N ASP A 30 94.247 9.418 8.727 1.00 0.00 N ATOM 436 CA ASP A 30 94.212 7.956 8.473 1.00 0.00 C ATOM 437 C ASP A 30 93.485 7.287 9.622 1.00 0.00 C ATOM 438 O ASP A 30 93.931 7.303 10.752 1.00 0.00 O ATOM 439 CB ASP A 30 95.626 7.396 8.380 1.00 0.00 C ATOM 440 CG ASP A 30 96.371 8.067 7.226 1.00 0.00 C ATOM 441 OD1 ASP A 30 96.721 9.228 7.367 1.00 0.00 O ATOM 442 OD2 ASP A 30 96.580 7.410 6.220 1.00 0.00 O ATOM 0 H ASP A 30 94.483 9.678 9.684 1.00 0.00 H new ATOM 0 HA ASP A 30 93.700 7.765 7.530 1.00 0.00 H new ATOM 0 HB2 ASP A 30 96.157 7.566 9.316 1.00 0.00 H new ATOM 0 HB3 ASP A 30 95.591 6.318 8.225 1.00 0.00 H new ATOM 447 N VAL A 31 92.358 6.704 9.333 1.00 0.00 N ATOM 448 CA VAL A 31 91.559 6.023 10.386 1.00 0.00 C ATOM 449 C VAL A 31 91.563 4.523 10.126 1.00 0.00 C ATOM 450 O VAL A 31 91.791 4.074 9.020 1.00 0.00 O ATOM 451 CB VAL A 31 90.125 6.546 10.349 1.00 0.00 C ATOM 452 CG1 VAL A 31 89.355 5.967 11.535 1.00 0.00 C ATOM 453 CG2 VAL A 31 90.138 8.080 10.440 1.00 0.00 C ATOM 0 H VAL A 31 91.951 6.670 8.398 1.00 0.00 H new ATOM 0 HA VAL A 31 91.992 6.223 11.366 1.00 0.00 H new ATOM 0 HB VAL A 31 89.644 6.246 9.418 1.00 0.00 H new ATOM 0 HG11 VAL A 31 88.329 6.335 11.517 1.00 0.00 H new ATOM 0 HG12 VAL A 31 89.351 4.879 11.470 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.834 6.274 12.465 1.00 0.00 H new ATOM 0 HG21 VAL A 31 89.115 8.455 10.414 1.00 0.00 H new ATOM 0 HG22 VAL A 31 90.612 8.385 11.373 1.00 0.00 H new ATOM 0 HG23 VAL A 31 90.696 8.490 9.598 1.00 0.00 H new ATOM 463 N THR A 32 91.316 3.749 11.145 1.00 0.00 N ATOM 464 CA THR A 32 91.300 2.262 10.994 1.00 0.00 C ATOM 465 C THR A 32 90.036 1.724 11.672 1.00 0.00 C ATOM 466 O THR A 32 89.696 2.116 12.770 1.00 0.00 O ATOM 467 CB THR A 32 92.569 1.674 11.663 1.00 0.00 C ATOM 468 OG1 THR A 32 93.292 2.728 12.282 1.00 0.00 O ATOM 469 CG2 THR A 32 93.476 0.991 10.626 1.00 0.00 C ATOM 0 H THR A 32 91.122 4.085 12.088 1.00 0.00 H new ATOM 0 HA THR A 32 91.296 1.977 9.942 1.00 0.00 H new ATOM 0 HB THR A 32 92.261 0.931 12.398 1.00 0.00 H new ATOM 0 HG1 THR A 32 94.096 2.366 12.710 1.00 0.00 H new ATOM 0 HG21 THR A 32 94.358 0.588 11.123 1.00 0.00 H new ATOM 0 HG22 THR A 32 92.930 0.181 10.143 1.00 0.00 H new ATOM 0 HG23 THR A 32 93.784 1.719 9.876 1.00 0.00 H new ATOM 477 N LEU A 33 89.335 0.839 11.012 1.00 0.00 N ATOM 478 CA LEU A 33 88.077 0.272 11.580 1.00 0.00 C ATOM 479 C LEU A 33 88.266 -1.216 11.865 1.00 0.00 C ATOM 480 O LEU A 33 88.385 -2.014 10.964 1.00 0.00 O ATOM 481 CB LEU A 33 86.959 0.447 10.538 1.00 0.00 C ATOM 482 CG LEU A 33 86.304 1.836 10.649 1.00 0.00 C ATOM 483 CD1 LEU A 33 85.397 1.916 11.887 1.00 0.00 C ATOM 484 CD2 LEU A 33 87.381 2.919 10.736 1.00 0.00 C ATOM 0 H LEU A 33 89.585 0.481 10.090 1.00 0.00 H new ATOM 0 HA LEU A 33 87.821 0.784 12.508 1.00 0.00 H new ATOM 0 HB2 LEU A 33 87.368 0.314 9.536 1.00 0.00 H new ATOM 0 HB3 LEU A 33 86.204 -0.326 10.679 1.00 0.00 H new ATOM 0 HG LEU A 33 85.696 1.996 9.758 1.00 0.00 H new ATOM 0 HD11 LEU A 33 84.946 2.907 11.944 1.00 0.00 H new ATOM 0 HD12 LEU A 33 84.612 1.163 11.812 1.00 0.00 H new ATOM 0 HD13 LEU A 33 85.989 1.735 12.784 1.00 0.00 H new ATOM 0 HD21 LEU A 33 86.907 3.898 10.814 1.00 0.00 H new ATOM 0 HD22 LEU A 33 88.002 2.745 11.615 1.00 0.00 H new ATOM 0 HD23 LEU A 33 88.002 2.887 9.841 1.00 0.00 H new ATOM 496 N ARG A 34 88.254 -1.588 13.110 1.00 0.00 N ATOM 497 CA ARG A 34 88.406 -3.025 13.472 1.00 0.00 C ATOM 498 C ARG A 34 87.256 -3.793 12.829 1.00 0.00 C ATOM 499 O ARG A 34 86.133 -3.747 13.291 1.00 0.00 O ATOM 500 CB ARG A 34 88.325 -3.176 14.995 1.00 0.00 C ATOM 501 CG ARG A 34 88.705 -4.610 15.402 1.00 0.00 C ATOM 502 CD ARG A 34 90.230 -4.786 15.396 1.00 0.00 C ATOM 503 NE ARG A 34 90.608 -5.965 16.227 1.00 0.00 N ATOM 504 CZ ARG A 34 91.869 -6.227 16.442 1.00 0.00 C ATOM 505 NH1 ARG A 34 92.211 -7.244 17.184 1.00 0.00 N ATOM 506 NH2 ARG A 34 92.790 -5.471 15.909 1.00 0.00 N ATOM 0 H ARG A 34 88.145 -0.954 13.902 1.00 0.00 H new ATOM 0 HA ARG A 34 89.366 -3.408 13.125 1.00 0.00 H new ATOM 0 HB2 ARG A 34 88.995 -2.463 15.476 1.00 0.00 H new ATOM 0 HB3 ARG A 34 87.316 -2.947 15.338 1.00 0.00 H new ATOM 0 HG2 ARG A 34 88.312 -4.828 16.395 1.00 0.00 H new ATOM 0 HG3 ARG A 34 88.248 -5.322 14.715 1.00 0.00 H new ATOM 0 HD2 ARG A 34 90.585 -4.921 14.374 1.00 0.00 H new ATOM 0 HD3 ARG A 34 90.710 -3.888 15.784 1.00 0.00 H new ATOM 0 HE ARG A 34 89.885 -6.564 16.626 1.00 0.00 H new ATOM 0 HH11 ARG A 34 91.492 -7.838 17.598 1.00 0.00 H new ATOM 0 HH12 ARG A 34 93.197 -7.446 17.350 1.00 0.00 H new ATOM 0 HH21 ARG A 34 92.524 -4.677 15.326 1.00 0.00 H new ATOM 0 HH22 ARG A 34 93.776 -5.674 16.076 1.00 0.00 H new ATOM 520 N VAL A 35 87.525 -4.474 11.744 1.00 0.00 N ATOM 521 CA VAL A 35 86.447 -5.224 11.029 1.00 0.00 C ATOM 522 C VAL A 35 86.903 -6.635 10.689 1.00 0.00 C ATOM 523 O VAL A 35 87.937 -7.099 11.127 1.00 0.00 O ATOM 524 CB VAL A 35 86.124 -4.506 9.724 1.00 0.00 C ATOM 525 CG1 VAL A 35 85.493 -3.148 10.029 1.00 0.00 C ATOM 526 CG2 VAL A 35 87.407 -4.305 8.912 1.00 0.00 C ATOM 0 H VAL A 35 88.450 -4.543 11.320 1.00 0.00 H new ATOM 0 HA VAL A 35 85.573 -5.273 11.679 1.00 0.00 H new ATOM 0 HB VAL A 35 85.424 -5.109 9.146 1.00 0.00 H new ATOM 0 HG11 VAL A 35 85.263 -2.636 9.095 1.00 0.00 H new ATOM 0 HG12 VAL A 35 84.575 -3.293 10.599 1.00 0.00 H new ATOM 0 HG13 VAL A 35 86.190 -2.545 10.611 1.00 0.00 H new ATOM 0 HG21 VAL A 35 87.171 -3.791 7.980 1.00 0.00 H new ATOM 0 HG22 VAL A 35 88.112 -3.706 9.488 1.00 0.00 H new ATOM 0 HG23 VAL A 35 87.852 -5.275 8.689 1.00 0.00 H new ATOM 536 N THR A 36 86.126 -7.311 9.885 1.00 0.00 N ATOM 537 CA THR A 36 86.469 -8.692 9.467 1.00 0.00 C ATOM 538 C THR A 36 85.993 -8.875 8.029 1.00 0.00 C ATOM 539 O THR A 36 85.379 -8.000 7.453 1.00 0.00 O ATOM 540 CB THR A 36 85.752 -9.701 10.372 1.00 0.00 C ATOM 541 OG1 THR A 36 84.431 -9.248 10.629 1.00 0.00 O ATOM 542 CG2 THR A 36 86.497 -9.845 11.691 1.00 0.00 C ATOM 0 H THR A 36 85.253 -6.953 9.496 1.00 0.00 H new ATOM 0 HA THR A 36 87.544 -8.855 9.542 1.00 0.00 H new ATOM 0 HB THR A 36 85.723 -10.668 9.870 1.00 0.00 H new ATOM 0 HG1 THR A 36 84.025 -9.802 11.328 1.00 0.00 H new ATOM 0 HG21 THR A 36 85.978 -10.564 12.325 1.00 0.00 H new ATOM 0 HG22 THR A 36 87.511 -10.195 11.500 1.00 0.00 H new ATOM 0 HG23 THR A 36 86.536 -8.879 12.194 1.00 0.00 H new ATOM 550 N GLY A 37 86.262 -10.000 7.447 1.00 0.00 N ATOM 551 CA GLY A 37 85.820 -10.239 6.055 1.00 0.00 C ATOM 552 C GLY A 37 84.343 -10.616 6.057 1.00 0.00 C ATOM 553 O GLY A 37 83.917 -11.553 5.413 1.00 0.00 O ATOM 0 H GLY A 37 86.773 -10.770 7.878 1.00 0.00 H new ATOM 0 HA2 GLY A 37 85.979 -9.345 5.452 1.00 0.00 H new ATOM 0 HA3 GLY A 37 86.411 -11.037 5.605 1.00 0.00 H new ATOM 557 N GLU A 38 83.551 -9.879 6.779 1.00 0.00 N ATOM 558 CA GLU A 38 82.093 -10.164 6.823 1.00 0.00 C ATOM 559 C GLU A 38 81.342 -8.845 6.983 1.00 0.00 C ATOM 560 O GLU A 38 80.128 -8.819 7.043 1.00 0.00 O ATOM 561 CB GLU A 38 81.771 -11.081 8.001 1.00 0.00 C ATOM 562 CG GLU A 38 82.472 -10.563 9.252 1.00 0.00 C ATOM 563 CD GLU A 38 81.839 -11.189 10.497 1.00 0.00 C ATOM 564 OE1 GLU A 38 82.106 -12.352 10.752 1.00 0.00 O ATOM 565 OE2 GLU A 38 81.097 -10.496 11.173 1.00 0.00 O ATOM 0 H GLU A 38 83.853 -9.086 7.345 1.00 0.00 H new ATOM 0 HA GLU A 38 81.790 -10.660 5.901 1.00 0.00 H new ATOM 0 HB2 GLU A 38 80.694 -11.118 8.163 1.00 0.00 H new ATOM 0 HB3 GLU A 38 82.096 -12.098 7.784 1.00 0.00 H new ATOM 0 HG2 GLU A 38 83.534 -10.805 9.212 1.00 0.00 H new ATOM 0 HG3 GLU A 38 82.394 -9.477 9.300 1.00 0.00 H new ATOM 572 N VAL A 39 82.047 -7.736 7.048 1.00 0.00 N ATOM 573 CA VAL A 39 81.353 -6.429 7.197 1.00 0.00 C ATOM 574 C VAL A 39 81.040 -5.853 5.819 1.00 0.00 C ATOM 575 O VAL A 39 81.900 -5.731 4.978 1.00 0.00 O ATOM 576 CB VAL A 39 82.231 -5.460 8.002 1.00 0.00 C ATOM 577 CG1 VAL A 39 82.938 -6.248 9.101 1.00 0.00 C ATOM 578 CG2 VAL A 39 83.276 -4.768 7.102 1.00 0.00 C ATOM 0 H VAL A 39 83.065 -7.687 7.004 1.00 0.00 H new ATOM 0 HA VAL A 39 80.416 -6.575 7.735 1.00 0.00 H new ATOM 0 HB VAL A 39 81.599 -4.683 8.432 1.00 0.00 H new ATOM 0 HG11 VAL A 39 83.567 -5.575 9.684 1.00 0.00 H new ATOM 0 HG12 VAL A 39 82.196 -6.708 9.754 1.00 0.00 H new ATOM 0 HG13 VAL A 39 83.557 -7.025 8.651 1.00 0.00 H new ATOM 0 HG21 VAL A 39 83.881 -4.089 7.703 1.00 0.00 H new ATOM 0 HG22 VAL A 39 83.919 -5.521 6.647 1.00 0.00 H new ATOM 0 HG23 VAL A 39 82.767 -4.205 6.320 1.00 0.00 H new ATOM 588 N HIS A 40 79.825 -5.484 5.586 1.00 0.00 N ATOM 589 CA HIS A 40 79.486 -4.906 4.259 1.00 0.00 C ATOM 590 C HIS A 40 80.196 -3.555 4.110 1.00 0.00 C ATOM 591 O HIS A 40 80.346 -2.818 5.064 1.00 0.00 O ATOM 592 CB HIS A 40 77.969 -4.724 4.151 1.00 0.00 C ATOM 593 CG HIS A 40 77.278 -5.879 4.823 1.00 0.00 C ATOM 594 ND1 HIS A 40 76.904 -5.843 6.157 1.00 0.00 N ATOM 595 CD2 HIS A 40 76.887 -7.110 4.358 1.00 0.00 C ATOM 596 CE1 HIS A 40 76.316 -7.018 6.445 1.00 0.00 C ATOM 597 NE2 HIS A 40 76.279 -7.828 5.384 1.00 0.00 N ATOM 0 H HIS A 40 79.051 -5.554 6.247 1.00 0.00 H new ATOM 0 HA HIS A 40 79.814 -5.576 3.464 1.00 0.00 H new ATOM 0 HB2 HIS A 40 77.670 -3.786 4.618 1.00 0.00 H new ATOM 0 HB3 HIS A 40 77.672 -4.668 3.104 1.00 0.00 H new ATOM 0 HD2 HIS A 40 77.030 -7.467 3.349 1.00 0.00 H new ATOM 0 HE1 HIS A 40 75.921 -7.275 7.417 1.00 0.00 H new ATOM 0 HE2 HIS A 40 75.889 -8.769 5.336 1.00 0.00 H new ATOM 605 N ILE A 41 80.640 -3.227 2.924 1.00 0.00 N ATOM 606 CA ILE A 41 81.343 -1.923 2.716 1.00 0.00 C ATOM 607 C ILE A 41 80.556 -0.812 3.394 1.00 0.00 C ATOM 608 O ILE A 41 81.063 -0.076 4.222 1.00 0.00 O ATOM 609 CB ILE A 41 81.408 -1.619 1.221 1.00 0.00 C ATOM 610 CG1 ILE A 41 82.265 -2.671 0.531 1.00 0.00 C ATOM 611 CG2 ILE A 41 82.019 -0.238 0.988 1.00 0.00 C ATOM 612 CD1 ILE A 41 82.123 -2.548 -0.990 1.00 0.00 C ATOM 0 H ILE A 41 80.547 -3.806 2.089 1.00 0.00 H new ATOM 0 HA ILE A 41 82.347 -1.985 3.135 1.00 0.00 H new ATOM 0 HB ILE A 41 80.398 -1.634 0.811 1.00 0.00 H new ATOM 0 HG12 ILE A 41 83.309 -2.547 0.818 1.00 0.00 H new ATOM 0 HG13 ILE A 41 81.962 -3.667 0.853 1.00 0.00 H new ATOM 0 HG21 ILE A 41 82.059 -0.034 -0.082 1.00 0.00 H new ATOM 0 HG22 ILE A 41 81.407 0.518 1.479 1.00 0.00 H new ATOM 0 HG23 ILE A 41 83.028 -0.212 1.401 1.00 0.00 H new ATOM 0 HD11 ILE A 41 82.740 -3.305 -1.475 1.00 0.00 H new ATOM 0 HD12 ILE A 41 81.080 -2.695 -1.271 1.00 0.00 H new ATOM 0 HD13 ILE A 41 82.448 -1.557 -1.307 1.00 0.00 H new ATOM 624 N GLY A 42 79.317 -0.686 3.035 1.00 0.00 N ATOM 625 CA GLY A 42 78.479 0.372 3.634 1.00 0.00 C ATOM 626 C GLY A 42 78.474 0.195 5.143 1.00 0.00 C ATOM 627 O GLY A 42 78.098 1.078 5.892 1.00 0.00 O ATOM 0 H GLY A 42 78.847 -1.275 2.348 1.00 0.00 H new ATOM 0 HA2 GLY A 42 78.867 1.356 3.370 1.00 0.00 H new ATOM 0 HA3 GLY A 42 77.463 0.315 3.244 1.00 0.00 H new ATOM 631 N GLY A 43 78.905 -0.943 5.590 1.00 0.00 N ATOM 632 CA GLY A 43 78.948 -1.203 7.051 1.00 0.00 C ATOM 633 C GLY A 43 80.156 -0.483 7.653 1.00 0.00 C ATOM 634 O GLY A 43 80.228 -0.252 8.842 1.00 0.00 O ATOM 0 H GLY A 43 79.232 -1.711 5.004 1.00 0.00 H new ATOM 0 HA2 GLY A 43 78.029 -0.854 7.522 1.00 0.00 H new ATOM 0 HA3 GLY A 43 79.016 -2.274 7.240 1.00 0.00 H new ATOM 638 N VAL A 44 81.103 -0.121 6.832 1.00 0.00 N ATOM 639 CA VAL A 44 82.313 0.589 7.340 1.00 0.00 C ATOM 640 C VAL A 44 82.001 2.083 7.464 1.00 0.00 C ATOM 641 O VAL A 44 82.234 2.683 8.494 1.00 0.00 O ATOM 642 CB VAL A 44 83.478 0.351 6.355 1.00 0.00 C ATOM 643 CG1 VAL A 44 84.540 1.451 6.491 1.00 0.00 C ATOM 644 CG2 VAL A 44 84.128 -1.002 6.652 1.00 0.00 C ATOM 0 H VAL A 44 81.091 -0.287 5.826 1.00 0.00 H new ATOM 0 HA VAL A 44 82.598 0.211 8.322 1.00 0.00 H new ATOM 0 HB VAL A 44 83.079 0.366 5.341 1.00 0.00 H new ATOM 0 HG11 VAL A 44 85.351 1.263 5.788 1.00 0.00 H new ATOM 0 HG12 VAL A 44 84.090 2.420 6.275 1.00 0.00 H new ATOM 0 HG13 VAL A 44 84.934 1.453 7.507 1.00 0.00 H new ATOM 0 HG21 VAL A 44 84.951 -1.171 5.957 1.00 0.00 H new ATOM 0 HG22 VAL A 44 84.509 -1.006 7.673 1.00 0.00 H new ATOM 0 HG23 VAL A 44 83.388 -1.794 6.538 1.00 0.00 H new ATOM 654 N MET A 45 81.475 2.696 6.434 1.00 0.00 N ATOM 655 CA MET A 45 81.162 4.151 6.541 1.00 0.00 C ATOM 656 C MET A 45 80.354 4.382 7.819 1.00 0.00 C ATOM 657 O MET A 45 80.550 5.347 8.531 1.00 0.00 O ATOM 658 CB MET A 45 80.349 4.623 5.326 1.00 0.00 C ATOM 659 CG MET A 45 80.780 3.858 4.078 1.00 0.00 C ATOM 660 SD MET A 45 80.053 4.654 2.619 1.00 0.00 S ATOM 661 CE MET A 45 78.429 3.845 2.670 1.00 0.00 C ATOM 0 H MET A 45 81.252 2.261 5.539 1.00 0.00 H new ATOM 0 HA MET A 45 82.092 4.718 6.571 1.00 0.00 H new ATOM 0 HB2 MET A 45 79.285 4.468 5.508 1.00 0.00 H new ATOM 0 HB3 MET A 45 80.494 5.693 5.175 1.00 0.00 H new ATOM 0 HG2 MET A 45 81.867 3.848 3.999 1.00 0.00 H new ATOM 0 HG3 MET A 45 80.455 2.819 4.142 1.00 0.00 H new ATOM 0 HE1 MET A 45 77.649 4.584 2.489 1.00 0.00 H new ATOM 0 HE2 MET A 45 78.383 3.073 1.902 1.00 0.00 H new ATOM 0 HE3 MET A 45 78.279 3.392 3.650 1.00 0.00 H new ATOM 671 N LEU A 46 79.453 3.487 8.115 1.00 0.00 N ATOM 672 CA LEU A 46 78.635 3.632 9.349 1.00 0.00 C ATOM 673 C LEU A 46 79.572 3.721 10.550 1.00 0.00 C ATOM 674 O LEU A 46 79.501 4.644 11.328 1.00 0.00 O ATOM 675 CB LEU A 46 77.707 2.410 9.482 1.00 0.00 C ATOM 676 CG LEU A 46 76.728 2.586 10.684 1.00 0.00 C ATOM 677 CD1 LEU A 46 75.314 2.075 10.318 1.00 0.00 C ATOM 678 CD2 LEU A 46 77.254 1.803 11.902 1.00 0.00 C ATOM 0 H LEU A 46 79.248 2.660 7.554 1.00 0.00 H new ATOM 0 HA LEU A 46 78.026 4.535 9.301 1.00 0.00 H new ATOM 0 HB2 LEU A 46 77.139 2.277 8.561 1.00 0.00 H new ATOM 0 HB3 LEU A 46 78.303 1.508 9.622 1.00 0.00 H new ATOM 0 HG LEU A 46 76.666 3.647 10.925 1.00 0.00 H new ATOM 0 HD11 LEU A 46 74.647 2.207 11.170 1.00 0.00 H new ATOM 0 HD12 LEU A 46 74.932 2.640 9.468 1.00 0.00 H new ATOM 0 HD13 LEU A 46 75.365 1.018 10.058 1.00 0.00 H new ATOM 0 HD21 LEU A 46 76.568 1.928 12.739 1.00 0.00 H new ATOM 0 HD22 LEU A 46 77.329 0.745 11.650 1.00 0.00 H new ATOM 0 HD23 LEU A 46 78.238 2.181 12.180 1.00 0.00 H new ATOM 690 N LYS A 47 80.452 2.777 10.706 1.00 0.00 N ATOM 691 CA LYS A 47 81.386 2.822 11.868 1.00 0.00 C ATOM 692 C LYS A 47 82.361 4.003 11.736 1.00 0.00 C ATOM 693 O LYS A 47 82.512 4.797 12.642 1.00 0.00 O ATOM 694 CB LYS A 47 82.184 1.521 11.922 1.00 0.00 C ATOM 695 CG LYS A 47 81.234 0.327 11.899 1.00 0.00 C ATOM 696 CD LYS A 47 82.049 -0.968 11.822 1.00 0.00 C ATOM 697 CE LYS A 47 81.131 -2.140 11.467 1.00 0.00 C ATOM 698 NZ LYS A 47 80.216 -2.418 12.610 1.00 0.00 N ATOM 0 H LYS A 47 80.568 1.977 10.084 1.00 0.00 H new ATOM 0 HA LYS A 47 80.803 2.947 12.780 1.00 0.00 H new ATOM 0 HB2 LYS A 47 82.868 1.469 11.075 1.00 0.00 H new ATOM 0 HB3 LYS A 47 82.793 1.495 12.826 1.00 0.00 H new ATOM 0 HG2 LYS A 47 80.612 0.326 12.794 1.00 0.00 H new ATOM 0 HG3 LYS A 47 80.562 0.399 11.044 1.00 0.00 H new ATOM 0 HD2 LYS A 47 82.834 -0.870 11.073 1.00 0.00 H new ATOM 0 HD3 LYS A 47 82.541 -1.156 12.776 1.00 0.00 H new ATOM 0 HE2 LYS A 47 80.553 -1.905 10.573 1.00 0.00 H new ATOM 0 HE3 LYS A 47 81.725 -3.025 11.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 79.651 -3.266 12.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 80.776 -2.576 13.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 79.582 -1.606 12.753 1.00 0.00 H new ATOM 712 N LEU A 48 83.039 4.110 10.623 1.00 0.00 N ATOM 713 CA LEU A 48 84.026 5.220 10.435 1.00 0.00 C ATOM 714 C LEU A 48 83.425 6.550 10.915 1.00 0.00 C ATOM 715 O LEU A 48 84.098 7.353 11.532 1.00 0.00 O ATOM 716 CB LEU A 48 84.392 5.295 8.938 1.00 0.00 C ATOM 717 CG LEU A 48 85.229 6.548 8.596 1.00 0.00 C ATOM 718 CD1 LEU A 48 86.590 6.497 9.279 1.00 0.00 C ATOM 719 CD2 LEU A 48 85.452 6.589 7.083 1.00 0.00 C ATOM 0 H LEU A 48 82.952 3.474 9.831 1.00 0.00 H new ATOM 0 HA LEU A 48 84.924 5.029 11.023 1.00 0.00 H new ATOM 0 HB2 LEU A 48 84.950 4.402 8.659 1.00 0.00 H new ATOM 0 HB3 LEU A 48 83.478 5.299 8.344 1.00 0.00 H new ATOM 0 HG LEU A 48 84.692 7.431 8.941 1.00 0.00 H new ATOM 0 HD11 LEU A 48 87.160 7.390 9.022 1.00 0.00 H new ATOM 0 HD12 LEU A 48 86.453 6.452 10.359 1.00 0.00 H new ATOM 0 HD13 LEU A 48 87.132 5.612 8.945 1.00 0.00 H new ATOM 0 HD21 LEU A 48 86.042 7.469 6.826 1.00 0.00 H new ATOM 0 HD22 LEU A 48 85.984 5.691 6.769 1.00 0.00 H new ATOM 0 HD23 LEU A 48 84.489 6.637 6.574 1.00 0.00 H new ATOM 731 N VAL A 49 82.173 6.795 10.640 1.00 0.00 N ATOM 732 CA VAL A 49 81.555 8.081 11.086 1.00 0.00 C ATOM 733 C VAL A 49 81.213 8.007 12.576 1.00 0.00 C ATOM 734 O VAL A 49 81.479 8.925 13.327 1.00 0.00 O ATOM 735 CB VAL A 49 80.277 8.338 10.286 1.00 0.00 C ATOM 736 CG1 VAL A 49 79.551 9.562 10.850 1.00 0.00 C ATOM 737 CG2 VAL A 49 80.635 8.596 8.823 1.00 0.00 C ATOM 0 H VAL A 49 81.553 6.166 10.129 1.00 0.00 H new ATOM 0 HA VAL A 49 82.263 8.893 10.919 1.00 0.00 H new ATOM 0 HB VAL A 49 79.628 7.465 10.358 1.00 0.00 H new ATOM 0 HG11 VAL A 49 78.641 9.741 10.277 1.00 0.00 H new ATOM 0 HG12 VAL A 49 79.293 9.383 11.894 1.00 0.00 H new ATOM 0 HG13 VAL A 49 80.201 10.434 10.781 1.00 0.00 H new ATOM 0 HG21 VAL A 49 79.724 8.779 8.252 1.00 0.00 H new ATOM 0 HG22 VAL A 49 81.287 9.467 8.756 1.00 0.00 H new ATOM 0 HG23 VAL A 49 81.150 7.726 8.415 1.00 0.00 H new ATOM 747 N GLU A 50 80.617 6.927 13.007 1.00 0.00 N ATOM 748 CA GLU A 50 80.247 6.795 14.448 1.00 0.00 C ATOM 749 C GLU A 50 81.411 7.256 15.327 1.00 0.00 C ATOM 750 O GLU A 50 81.222 7.855 16.367 1.00 0.00 O ATOM 751 CB GLU A 50 79.936 5.327 14.757 1.00 0.00 C ATOM 752 CG GLU A 50 78.544 4.968 14.230 1.00 0.00 C ATOM 753 CD GLU A 50 77.482 5.621 15.114 1.00 0.00 C ATOM 754 OE1 GLU A 50 77.300 5.158 16.228 1.00 0.00 O ATOM 755 OE2 GLU A 50 76.868 6.574 14.663 1.00 0.00 O ATOM 0 H GLU A 50 80.370 6.129 12.423 1.00 0.00 H new ATOM 0 HA GLU A 50 79.372 7.412 14.653 1.00 0.00 H new ATOM 0 HB2 GLU A 50 80.686 4.683 14.298 1.00 0.00 H new ATOM 0 HB3 GLU A 50 79.983 5.155 15.832 1.00 0.00 H new ATOM 0 HG2 GLU A 50 78.434 5.308 13.200 1.00 0.00 H new ATOM 0 HG3 GLU A 50 78.413 3.886 14.225 1.00 0.00 H new ATOM 762 N LYS A 51 82.611 6.965 14.920 1.00 0.00 N ATOM 763 CA LYS A 51 83.791 7.364 15.729 1.00 0.00 C ATOM 764 C LYS A 51 84.072 8.864 15.578 1.00 0.00 C ATOM 765 O LYS A 51 84.431 9.531 16.528 1.00 0.00 O ATOM 766 CB LYS A 51 84.992 6.564 15.257 1.00 0.00 C ATOM 767 CG LYS A 51 84.644 5.080 15.340 1.00 0.00 C ATOM 768 CD LYS A 51 85.912 4.237 15.258 1.00 0.00 C ATOM 769 CE LYS A 51 86.744 4.644 14.040 1.00 0.00 C ATOM 770 NZ LYS A 51 87.450 5.926 14.319 1.00 0.00 N ATOM 0 H LYS A 51 82.827 6.465 14.057 1.00 0.00 H new ATOM 0 HA LYS A 51 83.593 7.163 16.782 1.00 0.00 H new ATOM 0 HB2 LYS A 51 85.251 6.836 14.234 1.00 0.00 H new ATOM 0 HB3 LYS A 51 85.862 6.785 15.876 1.00 0.00 H new ATOM 0 HG2 LYS A 51 84.121 4.873 16.274 1.00 0.00 H new ATOM 0 HG3 LYS A 51 83.967 4.812 14.529 1.00 0.00 H new ATOM 0 HD2 LYS A 51 86.500 4.363 16.167 1.00 0.00 H new ATOM 0 HD3 LYS A 51 85.651 3.181 15.192 1.00 0.00 H new ATOM 0 HE2 LYS A 51 87.467 3.863 13.804 1.00 0.00 H new ATOM 0 HE3 LYS A 51 86.099 4.755 13.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 86.979 6.700 13.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 87.427 6.120 15.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 88.438 5.854 14.003 1.00 0.00 H new ATOM 784 N LEU A 52 83.920 9.401 14.397 1.00 0.00 N ATOM 785 CA LEU A 52 84.183 10.840 14.190 1.00 0.00 C ATOM 786 C LEU A 52 83.215 11.655 15.052 1.00 0.00 C ATOM 787 O LEU A 52 83.610 12.306 15.996 1.00 0.00 O ATOM 788 CB LEU A 52 83.978 11.137 12.689 1.00 0.00 C ATOM 789 CG LEU A 52 85.181 11.891 12.098 1.00 0.00 C ATOM 790 CD1 LEU A 52 85.525 13.123 12.962 1.00 0.00 C ATOM 791 CD2 LEU A 52 86.404 10.955 11.998 1.00 0.00 C ATOM 0 H LEU A 52 83.622 8.893 13.564 1.00 0.00 H new ATOM 0 HA LEU A 52 85.199 11.109 14.480 1.00 0.00 H new ATOM 0 HB2 LEU A 52 83.831 10.202 12.148 1.00 0.00 H new ATOM 0 HB3 LEU A 52 83.073 11.729 12.554 1.00 0.00 H new ATOM 0 HG LEU A 52 84.916 12.231 11.097 1.00 0.00 H new ATOM 0 HD11 LEU A 52 86.379 13.644 12.529 1.00 0.00 H new ATOM 0 HD12 LEU A 52 84.668 13.795 12.995 1.00 0.00 H new ATOM 0 HD13 LEU A 52 85.772 12.801 13.973 1.00 0.00 H new ATOM 0 HD21 LEU A 52 87.248 11.502 11.578 1.00 0.00 H new ATOM 0 HD22 LEU A 52 86.666 10.591 12.992 1.00 0.00 H new ATOM 0 HD23 LEU A 52 86.163 10.109 11.354 1.00 0.00 H new ATOM 803 N ASP A 53 81.952 11.604 14.725 1.00 0.00 N ATOM 804 CA ASP A 53 80.917 12.341 15.501 1.00 0.00 C ATOM 805 C ASP A 53 80.970 13.824 15.168 1.00 0.00 C ATOM 806 O ASP A 53 81.538 14.624 15.884 1.00 0.00 O ATOM 807 CB ASP A 53 81.162 12.114 16.985 1.00 0.00 C ATOM 808 CG ASP A 53 79.850 12.228 17.769 1.00 0.00 C ATOM 809 OD1 ASP A 53 79.356 11.204 18.210 1.00 0.00 O ATOM 810 OD2 ASP A 53 79.365 13.338 17.914 1.00 0.00 O ATOM 0 H ASP A 53 81.588 11.071 13.935 1.00 0.00 H new ATOM 0 HA ASP A 53 79.925 11.973 15.239 1.00 0.00 H new ATOM 0 HB2 ASP A 53 81.601 11.129 17.141 1.00 0.00 H new ATOM 0 HB3 ASP A 53 81.880 12.845 17.357 1.00 0.00 H new ATOM 815 N VAL A 54 80.378 14.184 14.080 1.00 0.00 N ATOM 816 CA VAL A 54 80.379 15.607 13.667 1.00 0.00 C ATOM 817 C VAL A 54 79.460 15.779 12.459 1.00 0.00 C ATOM 818 O VAL A 54 79.383 14.927 11.596 1.00 0.00 O ATOM 819 CB VAL A 54 81.813 16.008 13.332 1.00 0.00 C ATOM 820 CG1 VAL A 54 82.438 14.943 12.436 1.00 0.00 C ATOM 821 CG2 VAL A 54 81.832 17.367 12.621 1.00 0.00 C ATOM 0 H VAL A 54 79.887 13.551 13.449 1.00 0.00 H new ATOM 0 HA VAL A 54 80.010 16.248 14.468 1.00 0.00 H new ATOM 0 HB VAL A 54 82.387 16.091 14.255 1.00 0.00 H new ATOM 0 HG11 VAL A 54 83.463 15.226 12.195 1.00 0.00 H new ATOM 0 HG12 VAL A 54 82.439 13.985 12.956 1.00 0.00 H new ATOM 0 HG13 VAL A 54 81.859 14.856 11.516 1.00 0.00 H new ATOM 0 HG21 VAL A 54 82.861 17.641 12.388 1.00 0.00 H new ATOM 0 HG22 VAL A 54 81.255 17.303 11.698 1.00 0.00 H new ATOM 0 HG23 VAL A 54 81.393 18.124 13.271 1.00 0.00 H new ATOM 831 N LYS A 55 78.743 16.867 12.404 1.00 0.00 N ATOM 832 CA LYS A 55 77.808 17.084 11.268 1.00 0.00 C ATOM 833 C LYS A 55 78.575 17.295 9.967 1.00 0.00 C ATOM 834 O LYS A 55 78.123 17.995 9.082 1.00 0.00 O ATOM 835 CB LYS A 55 76.925 18.306 11.547 1.00 0.00 C ATOM 836 CG LYS A 55 75.910 17.997 12.678 1.00 0.00 C ATOM 837 CD LYS A 55 74.585 18.712 12.399 1.00 0.00 C ATOM 838 CE LYS A 55 73.617 18.460 13.554 1.00 0.00 C ATOM 839 NZ LYS A 55 74.016 19.292 14.724 1.00 0.00 N ATOM 0 H LYS A 55 78.765 17.615 13.097 1.00 0.00 H new ATOM 0 HA LYS A 55 77.183 16.197 11.164 1.00 0.00 H new ATOM 0 HB2 LYS A 55 77.548 19.154 11.831 1.00 0.00 H new ATOM 0 HB3 LYS A 55 76.392 18.591 10.640 1.00 0.00 H new ATOM 0 HG2 LYS A 55 75.745 16.922 12.747 1.00 0.00 H new ATOM 0 HG3 LYS A 55 76.313 18.320 13.638 1.00 0.00 H new ATOM 0 HD2 LYS A 55 74.755 19.782 12.280 1.00 0.00 H new ATOM 0 HD3 LYS A 55 74.155 18.352 11.465 1.00 0.00 H new ATOM 0 HE2 LYS A 55 72.599 18.704 13.250 1.00 0.00 H new ATOM 0 HE3 LYS A 55 73.624 17.404 13.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 73.242 19.309 15.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 74.867 18.887 15.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 74.218 20.262 14.408 1.00 0.00 H new ATOM 853 N LYS A 56 79.717 16.682 9.818 1.00 0.00 N ATOM 854 CA LYS A 56 80.467 16.851 8.542 1.00 0.00 C ATOM 855 C LYS A 56 79.844 15.926 7.493 1.00 0.00 C ATOM 856 O LYS A 56 79.429 14.822 7.786 1.00 0.00 O ATOM 857 CB LYS A 56 81.947 16.501 8.753 1.00 0.00 C ATOM 858 CG LYS A 56 82.751 16.601 7.417 1.00 0.00 C ATOM 859 CD LYS A 56 83.831 17.700 7.499 1.00 0.00 C ATOM 860 CE LYS A 56 85.057 17.180 8.259 1.00 0.00 C ATOM 861 NZ LYS A 56 85.644 16.021 7.529 1.00 0.00 N ATOM 0 H LYS A 56 80.158 16.080 10.513 1.00 0.00 H new ATOM 0 HA LYS A 56 80.408 17.886 8.204 1.00 0.00 H new ATOM 0 HB2 LYS A 56 82.380 17.175 9.492 1.00 0.00 H new ATOM 0 HB3 LYS A 56 82.030 15.491 9.155 1.00 0.00 H new ATOM 0 HG2 LYS A 56 83.220 15.642 7.199 1.00 0.00 H new ATOM 0 HG3 LYS A 56 82.070 16.817 6.594 1.00 0.00 H new ATOM 0 HD2 LYS A 56 84.121 18.011 6.495 1.00 0.00 H new ATOM 0 HD3 LYS A 56 83.428 18.579 8.001 1.00 0.00 H new ATOM 0 HE2 LYS A 56 85.798 17.973 8.359 1.00 0.00 H new ATOM 0 HE3 LYS A 56 84.772 16.881 9.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 85.494 15.152 8.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 85.185 15.927 6.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 86.664 16.175 7.397 1.00 0.00 H new ATOM 875 N ASP A 57 79.766 16.380 6.277 1.00 0.00 N ATOM 876 CA ASP A 57 79.160 15.552 5.198 1.00 0.00 C ATOM 877 C ASP A 57 79.941 14.247 5.038 1.00 0.00 C ATOM 878 O ASP A 57 81.100 14.249 4.674 1.00 0.00 O ATOM 879 CB ASP A 57 79.200 16.336 3.885 1.00 0.00 C ATOM 880 CG ASP A 57 78.291 17.562 3.995 1.00 0.00 C ATOM 881 OD1 ASP A 57 77.093 17.375 4.130 1.00 0.00 O ATOM 882 OD2 ASP A 57 78.808 18.665 3.941 1.00 0.00 O ATOM 0 H ASP A 57 80.099 17.297 5.980 1.00 0.00 H new ATOM 0 HA ASP A 57 78.128 15.317 5.458 1.00 0.00 H new ATOM 0 HB2 ASP A 57 80.222 16.646 3.665 1.00 0.00 H new ATOM 0 HB3 ASP A 57 78.875 15.702 3.060 1.00 0.00 H new ATOM 887 N TRP A 58 79.308 13.130 5.309 1.00 0.00 N ATOM 888 CA TRP A 58 79.988 11.809 5.181 1.00 0.00 C ATOM 889 C TRP A 58 79.250 10.942 4.150 1.00 0.00 C ATOM 890 O TRP A 58 79.852 10.275 3.336 1.00 0.00 O ATOM 891 CB TRP A 58 79.925 11.084 6.515 1.00 0.00 C ATOM 892 CG TRP A 58 80.620 11.852 7.591 1.00 0.00 C ATOM 893 CD1 TRP A 58 80.012 12.334 8.697 1.00 0.00 C ATOM 894 CD2 TRP A 58 82.031 12.211 7.711 1.00 0.00 C ATOM 895 NE1 TRP A 58 80.952 12.963 9.486 1.00 0.00 N ATOM 896 CE2 TRP A 58 82.209 12.915 8.923 1.00 0.00 C ATOM 897 CE3 TRP A 58 83.161 12.001 6.900 1.00 0.00 C ATOM 898 CZ2 TRP A 58 83.459 13.388 9.316 1.00 0.00 C ATOM 899 CZ3 TRP A 58 84.421 12.477 7.295 1.00 0.00 C ATOM 900 CH2 TRP A 58 84.567 13.169 8.502 1.00 0.00 C ATOM 0 H TRP A 58 78.337 13.081 5.617 1.00 0.00 H new ATOM 0 HA TRP A 58 81.020 11.973 4.872 1.00 0.00 H new ATOM 0 HB2 TRP A 58 78.884 10.926 6.795 1.00 0.00 H new ATOM 0 HB3 TRP A 58 80.382 10.099 6.417 1.00 0.00 H new ATOM 0 HD1 TRP A 58 78.961 12.242 8.926 1.00 0.00 H new ATOM 0 HE1 TRP A 58 80.742 13.410 10.379 1.00 0.00 H new ATOM 0 HE3 TRP A 58 83.058 11.469 5.966 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 83.568 13.922 10.248 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 85.281 12.308 6.664 1.00 0.00 H new ATOM 0 HH2 TRP A 58 85.538 13.533 8.802 1.00 0.00 H new ATOM 911 N SER A 59 77.947 10.923 4.201 1.00 0.00 N ATOM 912 CA SER A 59 77.173 10.074 3.244 1.00 0.00 C ATOM 913 C SER A 59 77.672 10.302 1.818 1.00 0.00 C ATOM 914 O SER A 59 78.064 9.377 1.134 1.00 0.00 O ATOM 915 CB SER A 59 75.688 10.428 3.322 1.00 0.00 C ATOM 916 OG SER A 59 74.945 9.497 2.547 1.00 0.00 O ATOM 0 H SER A 59 77.383 11.457 4.862 1.00 0.00 H new ATOM 0 HA SER A 59 77.313 9.027 3.511 1.00 0.00 H new ATOM 0 HB2 SER A 59 75.351 10.408 4.358 1.00 0.00 H new ATOM 0 HB3 SER A 59 75.523 11.440 2.953 1.00 0.00 H new ATOM 0 HG SER A 59 74.020 9.468 2.869 1.00 0.00 H new ATOM 922 N ASP A 60 77.665 11.522 1.361 1.00 0.00 N ATOM 923 CA ASP A 60 78.142 11.797 -0.022 1.00 0.00 C ATOM 924 C ASP A 60 79.525 11.167 -0.204 1.00 0.00 C ATOM 925 O ASP A 60 79.860 10.668 -1.260 1.00 0.00 O ATOM 926 CB ASP A 60 78.222 13.312 -0.237 1.00 0.00 C ATOM 927 CG ASP A 60 78.945 13.617 -1.553 1.00 0.00 C ATOM 928 OD1 ASP A 60 80.038 14.155 -1.494 1.00 0.00 O ATOM 929 OD2 ASP A 60 78.392 13.307 -2.595 1.00 0.00 O ATOM 0 H ASP A 60 77.350 12.339 1.884 1.00 0.00 H new ATOM 0 HA ASP A 60 77.452 11.371 -0.750 1.00 0.00 H new ATOM 0 HB2 ASP A 60 77.219 13.738 -0.256 1.00 0.00 H new ATOM 0 HB3 ASP A 60 78.751 13.778 0.594 1.00 0.00 H new ATOM 934 N HIS A 61 80.332 11.199 0.818 1.00 0.00 N ATOM 935 CA HIS A 61 81.691 10.621 0.719 1.00 0.00 C ATOM 936 C HIS A 61 81.625 9.093 0.693 1.00 0.00 C ATOM 937 O HIS A 61 81.028 8.462 1.542 1.00 0.00 O ATOM 938 CB HIS A 61 82.525 11.084 1.920 1.00 0.00 C ATOM 939 CG HIS A 61 82.721 12.579 1.879 1.00 0.00 C ATOM 940 ND1 HIS A 61 83.800 13.194 2.496 1.00 0.00 N ATOM 941 CD2 HIS A 61 81.982 13.595 1.322 1.00 0.00 C ATOM 942 CE1 HIS A 61 83.680 14.520 2.298 1.00 0.00 C ATOM 943 NE2 HIS A 61 82.590 14.818 1.589 1.00 0.00 N ATOM 0 H HIS A 61 80.102 11.606 1.725 1.00 0.00 H new ATOM 0 HA HIS A 61 82.155 10.962 -0.207 1.00 0.00 H new ATOM 0 HB2 HIS A 61 82.027 10.801 2.847 1.00 0.00 H new ATOM 0 HB3 HIS A 61 83.493 10.584 1.913 1.00 0.00 H new ATOM 0 HD1 HIS A 61 84.549 12.726 3.007 1.00 0.00 H new ATOM 0 HD2 HIS A 61 81.068 13.464 0.762 1.00 0.00 H new ATOM 0 HE1 HIS A 61 84.381 15.253 2.668 1.00 0.00 H new ATOM 951 N ALA A 62 82.262 8.506 -0.287 1.00 0.00 N ATOM 952 CA ALA A 62 82.297 7.024 -0.425 1.00 0.00 C ATOM 953 C ALA A 62 83.766 6.609 -0.456 1.00 0.00 C ATOM 954 O ALA A 62 84.628 7.426 -0.712 1.00 0.00 O ATOM 955 CB ALA A 62 81.613 6.628 -1.733 1.00 0.00 C ATOM 0 H ALA A 62 82.771 9.008 -1.014 1.00 0.00 H new ATOM 0 HA ALA A 62 81.780 6.535 0.400 1.00 0.00 H new ATOM 0 HB1 ALA A 62 81.635 5.544 -1.841 1.00 0.00 H new ATOM 0 HB2 ALA A 62 80.578 6.971 -1.721 1.00 0.00 H new ATOM 0 HB3 ALA A 62 82.137 7.087 -2.571 1.00 0.00 H new ATOM 961 N LEU A 63 84.072 5.365 -0.177 1.00 0.00 N ATOM 962 CA LEU A 63 85.509 4.928 -0.168 1.00 0.00 C ATOM 963 C LEU A 63 85.851 4.217 -1.486 1.00 0.00 C ATOM 964 O LEU A 63 85.017 3.617 -2.135 1.00 0.00 O ATOM 965 CB LEU A 63 85.808 4.034 1.078 1.00 0.00 C ATOM 966 CG LEU A 63 84.500 3.519 1.677 1.00 0.00 C ATOM 967 CD1 LEU A 63 83.939 2.505 0.730 1.00 0.00 C ATOM 968 CD2 LEU A 63 84.740 2.860 3.034 1.00 0.00 C ATOM 0 H LEU A 63 83.395 4.635 0.044 1.00 0.00 H new ATOM 0 HA LEU A 63 86.150 5.806 -0.089 1.00 0.00 H new ATOM 0 HB2 LEU A 63 86.441 3.195 0.790 1.00 0.00 H new ATOM 0 HB3 LEU A 63 86.358 4.608 1.824 1.00 0.00 H new ATOM 0 HG LEU A 63 83.812 4.351 1.824 1.00 0.00 H new ATOM 0 HD11 LEU A 63 83.002 2.115 1.128 1.00 0.00 H new ATOM 0 HD12 LEU A 63 83.756 2.973 -0.237 1.00 0.00 H new ATOM 0 HD13 LEU A 63 84.650 1.688 0.609 1.00 0.00 H new ATOM 0 HD21 LEU A 63 83.793 2.503 3.438 1.00 0.00 H new ATOM 0 HD22 LEU A 63 85.424 2.020 2.914 1.00 0.00 H new ATOM 0 HD23 LEU A 63 85.175 3.587 3.720 1.00 0.00 H new ATOM 980 N TRP A 64 87.082 4.350 -1.896 1.00 0.00 N ATOM 981 CA TRP A 64 87.563 3.772 -3.192 1.00 0.00 C ATOM 982 C TRP A 64 88.817 2.914 -2.920 1.00 0.00 C ATOM 983 O TRP A 64 89.542 3.143 -1.970 1.00 0.00 O ATOM 984 CB TRP A 64 87.832 4.998 -4.125 1.00 0.00 C ATOM 985 CG TRP A 64 89.290 5.261 -4.386 1.00 0.00 C ATOM 986 CD1 TRP A 64 90.270 5.344 -3.452 1.00 0.00 C ATOM 987 CD2 TRP A 64 89.927 5.539 -5.666 1.00 0.00 C ATOM 988 NE1 TRP A 64 91.471 5.606 -4.088 1.00 0.00 N ATOM 989 CE2 TRP A 64 91.309 5.743 -5.452 1.00 0.00 C ATOM 990 CE3 TRP A 64 89.441 5.617 -6.984 1.00 0.00 C ATOM 991 CZ2 TRP A 64 92.179 6.019 -6.507 1.00 0.00 C ATOM 992 CZ3 TRP A 64 90.311 5.899 -8.049 1.00 0.00 C ATOM 993 CH2 TRP A 64 91.678 6.100 -7.810 1.00 0.00 C ATOM 0 H TRP A 64 87.800 4.851 -1.372 1.00 0.00 H new ATOM 0 HA TRP A 64 86.845 3.108 -3.673 1.00 0.00 H new ATOM 0 HB2 TRP A 64 87.327 4.835 -5.077 1.00 0.00 H new ATOM 0 HB3 TRP A 64 87.388 5.887 -3.677 1.00 0.00 H new ATOM 0 HD1 TRP A 64 90.135 5.225 -2.387 1.00 0.00 H new ATOM 0 HE1 TRP A 64 92.367 5.688 -3.607 1.00 0.00 H new ATOM 0 HE3 TRP A 64 88.390 5.459 -7.178 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 93.232 6.169 -6.319 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 89.926 5.961 -9.056 1.00 0.00 H new ATOM 0 HH2 TRP A 64 92.344 6.317 -8.632 1.00 0.00 H new ATOM 1004 N TRP A 65 89.059 1.901 -3.723 1.00 0.00 N ATOM 1005 CA TRP A 65 90.256 1.023 -3.496 1.00 0.00 C ATOM 1006 C TRP A 65 91.357 1.436 -4.470 1.00 0.00 C ATOM 1007 O TRP A 65 91.421 0.945 -5.571 1.00 0.00 O ATOM 1008 CB TRP A 65 89.883 -0.444 -3.745 1.00 0.00 C ATOM 1009 CG TRP A 65 90.931 -1.361 -3.175 1.00 0.00 C ATOM 1010 CD1 TRP A 65 92.129 -0.979 -2.658 1.00 0.00 C ATOM 1011 CD2 TRP A 65 90.894 -2.815 -3.068 1.00 0.00 C ATOM 1012 NE1 TRP A 65 92.815 -2.103 -2.236 1.00 0.00 N ATOM 1013 CE2 TRP A 65 92.099 -3.258 -2.473 1.00 0.00 C ATOM 1014 CE3 TRP A 65 89.938 -3.782 -3.428 1.00 0.00 C ATOM 1015 CZ2 TRP A 65 92.346 -4.612 -2.245 1.00 0.00 C ATOM 1016 CZ3 TRP A 65 90.186 -5.144 -3.201 1.00 0.00 C ATOM 1017 CH2 TRP A 65 91.387 -5.559 -2.611 1.00 0.00 C ATOM 0 H TRP A 65 88.481 1.645 -4.524 1.00 0.00 H new ATOM 0 HA TRP A 65 90.601 1.132 -2.468 1.00 0.00 H new ATOM 0 HB2 TRP A 65 88.916 -0.661 -3.291 1.00 0.00 H new ATOM 0 HB3 TRP A 65 89.780 -0.622 -4.815 1.00 0.00 H new ATOM 0 HD1 TRP A 65 92.487 0.038 -2.588 1.00 0.00 H new ATOM 0 HE1 TRP A 65 93.738 -2.081 -1.802 1.00 0.00 H new ATOM 0 HE3 TRP A 65 89.008 -3.474 -3.882 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 93.273 -4.926 -1.788 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 89.446 -5.878 -3.483 1.00 0.00 H new ATOM 0 HH2 TRP A 65 91.571 -6.609 -2.440 1.00 0.00 H new ATOM 1028 N GLU A 66 92.211 2.346 -4.085 1.00 0.00 N ATOM 1029 CA GLU A 66 93.292 2.801 -5.013 1.00 0.00 C ATOM 1030 C GLU A 66 94.108 1.617 -5.520 1.00 0.00 C ATOM 1031 O GLU A 66 94.717 1.692 -6.564 1.00 0.00 O ATOM 1032 CB GLU A 66 94.219 3.773 -4.300 1.00 0.00 C ATOM 1033 CG GLU A 66 94.631 3.183 -2.957 1.00 0.00 C ATOM 1034 CD GLU A 66 95.528 4.171 -2.210 1.00 0.00 C ATOM 1035 OE1 GLU A 66 96.668 4.327 -2.613 1.00 0.00 O ATOM 1036 OE2 GLU A 66 95.058 4.755 -1.247 1.00 0.00 O ATOM 0 H GLU A 66 92.209 2.795 -3.169 1.00 0.00 H new ATOM 0 HA GLU A 66 92.819 3.296 -5.861 1.00 0.00 H new ATOM 0 HB2 GLU A 66 95.101 3.967 -4.911 1.00 0.00 H new ATOM 0 HB3 GLU A 66 93.717 4.729 -4.152 1.00 0.00 H new ATOM 0 HG2 GLU A 66 93.746 2.959 -2.361 1.00 0.00 H new ATOM 0 HG3 GLU A 66 95.159 2.242 -3.110 1.00 0.00 H new ATOM 1043 N LYS A 67 94.131 0.520 -4.823 1.00 0.00 N ATOM 1044 CA LYS A 67 94.911 -0.627 -5.355 1.00 0.00 C ATOM 1045 C LYS A 67 94.181 -1.086 -6.609 1.00 0.00 C ATOM 1046 O LYS A 67 94.653 -1.902 -7.375 1.00 0.00 O ATOM 1047 CB LYS A 67 94.952 -1.784 -4.354 1.00 0.00 C ATOM 1048 CG LYS A 67 95.401 -1.291 -2.977 1.00 0.00 C ATOM 1049 CD LYS A 67 96.789 -0.649 -3.069 1.00 0.00 C ATOM 1050 CE LYS A 67 97.436 -0.597 -1.673 1.00 0.00 C ATOM 1051 NZ LYS A 67 98.290 -1.803 -1.480 1.00 0.00 N ATOM 0 H LYS A 67 93.658 0.368 -3.932 1.00 0.00 H new ATOM 0 HA LYS A 67 95.940 -0.327 -5.553 1.00 0.00 H new ATOM 0 HB2 LYS A 67 93.965 -2.241 -4.278 1.00 0.00 H new ATOM 0 HB3 LYS A 67 95.635 -2.556 -4.710 1.00 0.00 H new ATOM 0 HG2 LYS A 67 94.683 -0.568 -2.590 1.00 0.00 H new ATOM 0 HG3 LYS A 67 95.424 -2.124 -2.275 1.00 0.00 H new ATOM 0 HD2 LYS A 67 97.419 -1.221 -3.750 1.00 0.00 H new ATOM 0 HD3 LYS A 67 96.707 0.358 -3.479 1.00 0.00 H new ATOM 0 HE2 LYS A 67 98.036 0.307 -1.571 1.00 0.00 H new ATOM 0 HE3 LYS A 67 96.665 -0.556 -0.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 98.729 -1.771 -0.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 97.705 -2.659 -1.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 99.033 -1.822 -2.207 1.00 0.00 H new ATOM 1065 N LYS A 68 92.999 -0.558 -6.787 1.00 0.00 N ATOM 1066 CA LYS A 68 92.142 -0.922 -7.946 1.00 0.00 C ATOM 1067 C LYS A 68 91.572 0.352 -8.568 1.00 0.00 C ATOM 1068 O LYS A 68 90.980 0.322 -9.629 1.00 0.00 O ATOM 1069 CB LYS A 68 90.973 -1.802 -7.457 1.00 0.00 C ATOM 1070 CG LYS A 68 91.419 -2.727 -6.316 1.00 0.00 C ATOM 1071 CD LYS A 68 92.248 -3.884 -6.884 1.00 0.00 C ATOM 1072 CE LYS A 68 93.023 -4.583 -5.759 1.00 0.00 C ATOM 1073 NZ LYS A 68 93.258 -6.006 -6.132 1.00 0.00 N ATOM 0 H LYS A 68 92.584 0.129 -6.158 1.00 0.00 H new ATOM 0 HA LYS A 68 92.734 -1.465 -8.683 1.00 0.00 H new ATOM 0 HB2 LYS A 68 90.154 -1.168 -7.117 1.00 0.00 H new ATOM 0 HB3 LYS A 68 90.591 -2.399 -8.285 1.00 0.00 H new ATOM 0 HG2 LYS A 68 92.008 -2.167 -5.590 1.00 0.00 H new ATOM 0 HG3 LYS A 68 90.548 -3.116 -5.788 1.00 0.00 H new ATOM 0 HD2 LYS A 68 91.594 -4.599 -7.383 1.00 0.00 H new ATOM 0 HD3 LYS A 68 92.943 -3.509 -7.635 1.00 0.00 H new ATOM 0 HE2 LYS A 68 93.974 -4.078 -5.589 1.00 0.00 H new ATOM 0 HE3 LYS A 68 92.461 -4.528 -4.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 93.783 -6.482 -5.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 92.345 -6.483 -6.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 93.810 -6.047 -7.012 1.00 0.00 H new ATOM 1087 N ARG A 69 91.709 1.467 -7.898 1.00 0.00 N ATOM 1088 CA ARG A 69 91.137 2.728 -8.436 1.00 0.00 C ATOM 1089 C ARG A 69 89.665 2.458 -8.741 1.00 0.00 C ATOM 1090 O ARG A 69 89.164 2.786 -9.798 1.00 0.00 O ATOM 1091 CB ARG A 69 91.866 3.148 -9.726 1.00 0.00 C ATOM 1092 CG ARG A 69 93.286 3.663 -9.412 1.00 0.00 C ATOM 1093 CD ARG A 69 94.268 2.494 -9.349 1.00 0.00 C ATOM 1094 NE ARG A 69 94.447 1.913 -10.709 1.00 0.00 N ATOM 1095 CZ ARG A 69 95.158 0.829 -10.863 1.00 0.00 C ATOM 1096 NH1 ARG A 69 95.311 0.311 -12.050 1.00 0.00 N ATOM 1097 NH2 ARG A 69 95.717 0.265 -9.827 1.00 0.00 N ATOM 0 H ARG A 69 92.192 1.555 -7.004 1.00 0.00 H new ATOM 0 HA ARG A 69 91.250 3.535 -7.712 1.00 0.00 H new ATOM 0 HB2 ARG A 69 91.925 2.300 -10.408 1.00 0.00 H new ATOM 0 HB3 ARG A 69 91.296 3.926 -10.234 1.00 0.00 H new ATOM 0 HG2 ARG A 69 93.601 4.372 -10.178 1.00 0.00 H new ATOM 0 HG3 ARG A 69 93.285 4.199 -8.463 1.00 0.00 H new ATOM 0 HD2 ARG A 69 95.228 2.834 -8.959 1.00 0.00 H new ATOM 0 HD3 ARG A 69 93.897 1.732 -8.664 1.00 0.00 H new ATOM 0 HE ARG A 69 94.015 2.361 -11.517 1.00 0.00 H new ATOM 0 HH11 ARG A 69 94.875 0.753 -12.859 1.00 0.00 H new ATOM 0 HH12 ARG A 69 95.867 -0.536 -12.169 1.00 0.00 H new ATOM 0 HH21 ARG A 69 95.598 0.671 -8.899 1.00 0.00 H new ATOM 0 HH22 ARG A 69 96.273 -0.582 -9.945 1.00 0.00 H new ATOM 1111 N THR A 70 88.981 1.825 -7.817 1.00 0.00 N ATOM 1112 CA THR A 70 87.544 1.477 -8.026 1.00 0.00 C ATOM 1113 C THR A 70 86.672 2.293 -7.088 1.00 0.00 C ATOM 1114 O THR A 70 87.134 3.175 -6.416 1.00 0.00 O ATOM 1115 CB THR A 70 87.356 -0.015 -7.711 1.00 0.00 C ATOM 1116 OG1 THR A 70 86.137 -0.470 -8.280 1.00 0.00 O ATOM 1117 CG2 THR A 70 87.336 -0.262 -6.191 1.00 0.00 C ATOM 0 H THR A 70 89.364 1.533 -6.918 1.00 0.00 H new ATOM 0 HA THR A 70 87.260 1.692 -9.056 1.00 0.00 H new ATOM 0 HB THR A 70 88.195 -0.564 -8.138 1.00 0.00 H new ATOM 0 HG1 THR A 70 86.018 -1.422 -8.080 1.00 0.00 H new ATOM 0 HG21 THR A 70 87.202 -1.326 -5.997 1.00 0.00 H new ATOM 0 HG22 THR A 70 88.279 0.070 -5.756 1.00 0.00 H new ATOM 0 HG23 THR A 70 86.513 0.295 -5.743 1.00 0.00 H new ATOM 1125 N TRP A 71 85.421 1.950 -7.017 1.00 0.00 N ATOM 1126 CA TRP A 71 84.474 2.634 -6.101 1.00 0.00 C ATOM 1127 C TRP A 71 83.801 1.517 -5.310 1.00 0.00 C ATOM 1128 O TRP A 71 82.987 0.778 -5.805 1.00 0.00 O ATOM 1129 CB TRP A 71 83.451 3.453 -6.910 1.00 0.00 C ATOM 1130 CG TRP A 71 83.318 2.894 -8.294 1.00 0.00 C ATOM 1131 CD1 TRP A 71 82.851 1.662 -8.601 1.00 0.00 C ATOM 1132 CD2 TRP A 71 83.653 3.525 -9.564 1.00 0.00 C ATOM 1133 NE1 TRP A 71 82.873 1.498 -9.961 1.00 0.00 N ATOM 1134 CE2 TRP A 71 83.361 2.616 -10.607 1.00 0.00 C ATOM 1135 CE3 TRP A 71 84.177 4.784 -9.908 1.00 0.00 C ATOM 1136 CZ2 TRP A 71 83.579 2.944 -11.946 1.00 0.00 C ATOM 1137 CZ3 TRP A 71 84.398 5.118 -11.254 1.00 0.00 C ATOM 1138 CH2 TRP A 71 84.099 4.200 -12.271 1.00 0.00 C ATOM 0 H TRP A 71 85.004 1.203 -7.572 1.00 0.00 H new ATOM 0 HA TRP A 71 84.973 3.339 -5.436 1.00 0.00 H new ATOM 0 HB2 TRP A 71 82.483 3.436 -6.409 1.00 0.00 H new ATOM 0 HB3 TRP A 71 83.766 4.495 -6.960 1.00 0.00 H new ATOM 0 HD1 TRP A 71 82.514 0.925 -7.887 1.00 0.00 H new ATOM 0 HE1 TRP A 71 82.566 0.651 -10.439 1.00 0.00 H new ATOM 0 HE3 TRP A 71 84.411 5.498 -9.132 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 83.348 2.233 -12.725 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 84.801 6.088 -11.507 1.00 0.00 H new ATOM 0 HH2 TRP A 71 84.270 4.463 -13.304 1.00 0.00 H new ATOM 1149 N LEU A 72 84.187 1.342 -4.103 1.00 0.00 N ATOM 1150 CA LEU A 72 83.627 0.223 -3.315 1.00 0.00 C ATOM 1151 C LEU A 72 82.124 0.408 -3.126 1.00 0.00 C ATOM 1152 O LEU A 72 81.656 0.873 -2.106 1.00 0.00 O ATOM 1153 CB LEU A 72 84.341 0.175 -1.976 1.00 0.00 C ATOM 1154 CG LEU A 72 85.872 0.165 -2.206 1.00 0.00 C ATOM 1155 CD1 LEU A 72 86.573 0.698 -0.962 1.00 0.00 C ATOM 1156 CD2 LEU A 72 86.387 -1.255 -2.549 1.00 0.00 C ATOM 0 H LEU A 72 84.869 1.923 -3.616 1.00 0.00 H new ATOM 0 HA LEU A 72 83.778 -0.719 -3.842 1.00 0.00 H new ATOM 0 HB2 LEU A 72 84.059 1.037 -1.371 1.00 0.00 H new ATOM 0 HB3 LEU A 72 84.040 -0.715 -1.423 1.00 0.00 H new ATOM 0 HG LEU A 72 86.097 0.807 -3.058 1.00 0.00 H new ATOM 0 HD11 LEU A 72 87.651 0.692 -1.121 1.00 0.00 H new ATOM 0 HD12 LEU A 72 86.241 1.717 -0.766 1.00 0.00 H new ATOM 0 HD13 LEU A 72 86.329 0.066 -0.108 1.00 0.00 H new ATOM 0 HD21 LEU A 72 87.465 -1.223 -2.704 1.00 0.00 H new ATOM 0 HD22 LEU A 72 86.158 -1.933 -1.727 1.00 0.00 H new ATOM 0 HD23 LEU A 72 85.900 -1.609 -3.458 1.00 0.00 H new ATOM 1168 N LEU A 73 81.374 0.012 -4.119 1.00 0.00 N ATOM 1169 CA LEU A 73 79.878 0.106 -4.060 1.00 0.00 C ATOM 1170 C LEU A 73 79.304 -1.311 -4.045 1.00 0.00 C ATOM 1171 O LEU A 73 78.128 -1.521 -4.265 1.00 0.00 O ATOM 1172 CB LEU A 73 79.321 0.898 -5.270 1.00 0.00 C ATOM 1173 CG LEU A 73 79.908 0.401 -6.621 1.00 0.00 C ATOM 1174 CD1 LEU A 73 79.006 -0.665 -7.259 1.00 0.00 C ATOM 1175 CD2 LEU A 73 79.999 1.576 -7.603 1.00 0.00 C ATOM 0 H LEU A 73 81.738 -0.381 -4.987 1.00 0.00 H new ATOM 0 HA LEU A 73 79.585 0.640 -3.156 1.00 0.00 H new ATOM 0 HB2 LEU A 73 78.235 0.806 -5.293 1.00 0.00 H new ATOM 0 HB3 LEU A 73 79.549 1.956 -5.145 1.00 0.00 H new ATOM 0 HG LEU A 73 80.891 -0.024 -6.418 1.00 0.00 H new ATOM 0 HD11 LEU A 73 79.442 -0.993 -8.202 1.00 0.00 H new ATOM 0 HD12 LEU A 73 78.916 -1.517 -6.585 1.00 0.00 H new ATOM 0 HD13 LEU A 73 78.018 -0.243 -7.444 1.00 0.00 H new ATOM 0 HD21 LEU A 73 80.411 1.228 -8.550 1.00 0.00 H new ATOM 0 HD22 LEU A 73 79.004 1.989 -7.770 1.00 0.00 H new ATOM 0 HD23 LEU A 73 80.647 2.348 -7.188 1.00 0.00 H new ATOM 1187 N LYS A 74 80.134 -2.287 -3.777 1.00 0.00 N ATOM 1188 CA LYS A 74 79.652 -3.699 -3.735 1.00 0.00 C ATOM 1189 C LYS A 74 79.068 -3.978 -2.343 1.00 0.00 C ATOM 1190 O LYS A 74 79.543 -4.829 -1.616 1.00 0.00 O ATOM 1191 CB LYS A 74 80.833 -4.653 -4.012 1.00 0.00 C ATOM 1192 CG LYS A 74 80.971 -4.914 -5.521 1.00 0.00 C ATOM 1193 CD LYS A 74 81.228 -3.604 -6.272 1.00 0.00 C ATOM 1194 CE LYS A 74 82.509 -2.932 -5.756 1.00 0.00 C ATOM 1195 NZ LYS A 74 83.510 -3.966 -5.369 1.00 0.00 N ATOM 0 H LYS A 74 81.128 -2.165 -3.585 1.00 0.00 H new ATOM 0 HA LYS A 74 78.885 -3.857 -4.493 1.00 0.00 H new ATOM 0 HB2 LYS A 74 81.756 -4.221 -3.626 1.00 0.00 H new ATOM 0 HB3 LYS A 74 80.678 -5.595 -3.486 1.00 0.00 H new ATOM 0 HG2 LYS A 74 81.790 -5.610 -5.702 1.00 0.00 H new ATOM 0 HG3 LYS A 74 80.063 -5.384 -5.899 1.00 0.00 H new ATOM 0 HD2 LYS A 74 81.319 -3.802 -7.340 1.00 0.00 H new ATOM 0 HD3 LYS A 74 80.380 -2.931 -6.143 1.00 0.00 H new ATOM 0 HE2 LYS A 74 82.924 -2.283 -6.527 1.00 0.00 H new ATOM 0 HE3 LYS A 74 82.277 -2.300 -4.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 84.469 -3.574 -5.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 83.349 -4.253 -4.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 83.412 -4.794 -5.991 1.00 0.00 H new ATOM 1209 N THR A 75 78.048 -3.264 -1.964 1.00 0.00 N ATOM 1210 CA THR A 75 77.442 -3.484 -0.621 1.00 0.00 C ATOM 1211 C THR A 75 76.614 -4.778 -0.640 1.00 0.00 C ATOM 1212 O THR A 75 76.096 -5.210 0.371 1.00 0.00 O ATOM 1213 CB THR A 75 76.543 -2.279 -0.266 1.00 0.00 C ATOM 1214 OG1 THR A 75 77.026 -1.127 -0.942 1.00 0.00 O ATOM 1215 CG2 THR A 75 76.561 -2.018 1.251 1.00 0.00 C ATOM 0 H THR A 75 77.606 -2.536 -2.526 1.00 0.00 H new ATOM 0 HA THR A 75 78.226 -3.578 0.130 1.00 0.00 H new ATOM 0 HB THR A 75 75.520 -2.499 -0.572 1.00 0.00 H new ATOM 0 HG1 THR A 75 76.559 -1.030 -1.798 1.00 0.00 H new ATOM 0 HG21 THR A 75 75.922 -1.166 1.481 1.00 0.00 H new ATOM 0 HG22 THR A 75 76.193 -2.899 1.776 1.00 0.00 H new ATOM 0 HG23 THR A 75 77.581 -1.804 1.571 1.00 0.00 H new ATOM 1223 N HIS A 76 76.473 -5.384 -1.787 1.00 0.00 N ATOM 1224 CA HIS A 76 75.664 -6.635 -1.883 1.00 0.00 C ATOM 1225 C HIS A 76 76.363 -7.791 -1.161 1.00 0.00 C ATOM 1226 O HIS A 76 75.778 -8.456 -0.329 1.00 0.00 O ATOM 1227 CB HIS A 76 75.481 -7.006 -3.357 1.00 0.00 C ATOM 1228 CG HIS A 76 74.847 -5.858 -4.092 1.00 0.00 C ATOM 1229 ND1 HIS A 76 75.402 -4.588 -4.100 1.00 0.00 N ATOM 1230 CD2 HIS A 76 73.708 -5.774 -4.854 1.00 0.00 C ATOM 1231 CE1 HIS A 76 74.603 -3.801 -4.845 1.00 0.00 C ATOM 1232 NE2 HIS A 76 73.556 -4.475 -5.328 1.00 0.00 N ATOM 0 H HIS A 76 76.884 -5.067 -2.665 1.00 0.00 H new ATOM 0 HA HIS A 76 74.696 -6.460 -1.413 1.00 0.00 H new ATOM 0 HB2 HIS A 76 76.445 -7.249 -3.804 1.00 0.00 H new ATOM 0 HB3 HIS A 76 74.857 -7.895 -3.444 1.00 0.00 H new ATOM 0 HD2 HIS A 76 73.032 -6.592 -5.055 1.00 0.00 H new ATOM 0 HE1 HIS A 76 74.786 -2.753 -5.029 1.00 0.00 H new ATOM 0 HE2 HIS A 76 72.806 -4.115 -5.918 1.00 0.00 H new ATOM 1240 N TRP A 77 77.603 -8.049 -1.485 1.00 0.00 N ATOM 1241 CA TRP A 77 78.341 -9.182 -0.833 1.00 0.00 C ATOM 1242 C TRP A 77 79.199 -8.650 0.324 1.00 0.00 C ATOM 1243 O TRP A 77 78.702 -7.956 1.189 1.00 0.00 O ATOM 1244 CB TRP A 77 79.218 -9.877 -1.880 1.00 0.00 C ATOM 1245 CG TRP A 77 78.375 -10.757 -2.741 1.00 0.00 C ATOM 1246 CD1 TRP A 77 77.800 -11.906 -2.331 1.00 0.00 C ATOM 1247 CD2 TRP A 77 78.008 -10.588 -4.140 1.00 0.00 C ATOM 1248 NE1 TRP A 77 77.103 -12.457 -3.386 1.00 0.00 N ATOM 1249 CE2 TRP A 77 77.198 -11.681 -4.525 1.00 0.00 C ATOM 1250 CE3 TRP A 77 78.295 -9.603 -5.102 1.00 0.00 C ATOM 1251 CZ2 TRP A 77 76.690 -11.795 -5.819 1.00 0.00 C ATOM 1252 CZ3 TRP A 77 77.785 -9.714 -6.406 1.00 0.00 C ATOM 1253 CH2 TRP A 77 76.984 -10.808 -6.763 1.00 0.00 C ATOM 0 H TRP A 77 78.142 -7.525 -2.175 1.00 0.00 H new ATOM 0 HA TRP A 77 77.630 -9.902 -0.428 1.00 0.00 H new ATOM 0 HB2 TRP A 77 79.727 -9.133 -2.493 1.00 0.00 H new ATOM 0 HB3 TRP A 77 79.991 -10.467 -1.387 1.00 0.00 H new ATOM 0 HD1 TRP A 77 77.873 -12.326 -1.339 1.00 0.00 H new ATOM 0 HE1 TRP A 77 76.581 -13.331 -3.332 1.00 0.00 H new ATOM 0 HE3 TRP A 77 78.911 -8.757 -4.837 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 76.074 -12.640 -6.089 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 78.011 -8.952 -7.138 1.00 0.00 H new ATOM 0 HH2 TRP A 77 76.595 -10.888 -7.767 1.00 0.00 H new ATOM 1264 N THR A 78 80.476 -8.966 0.375 1.00 0.00 N ATOM 1265 CA THR A 78 81.308 -8.463 1.504 1.00 0.00 C ATOM 1266 C THR A 78 82.761 -8.366 1.042 1.00 0.00 C ATOM 1267 O THR A 78 83.199 -9.099 0.186 1.00 0.00 O ATOM 1268 CB THR A 78 81.170 -9.439 2.705 1.00 0.00 C ATOM 1269 OG1 THR A 78 80.143 -10.377 2.415 1.00 0.00 O ATOM 1270 CG2 THR A 78 80.809 -8.695 4.005 1.00 0.00 C ATOM 0 H THR A 78 80.966 -9.542 -0.309 1.00 0.00 H new ATOM 0 HA THR A 78 80.975 -7.474 1.819 1.00 0.00 H new ATOM 0 HB THR A 78 82.129 -9.937 2.852 1.00 0.00 H new ATOM 0 HG1 THR A 78 80.047 -11.000 3.166 1.00 0.00 H new ATOM 0 HG21 THR A 78 80.721 -9.411 4.822 1.00 0.00 H new ATOM 0 HG22 THR A 78 81.590 -7.972 4.239 1.00 0.00 H new ATOM 0 HG23 THR A 78 79.860 -8.175 3.875 1.00 0.00 H new ATOM 1278 N LEU A 79 83.502 -7.461 1.604 1.00 0.00 N ATOM 1279 CA LEU A 79 84.926 -7.295 1.207 1.00 0.00 C ATOM 1280 C LEU A 79 85.599 -8.648 0.983 1.00 0.00 C ATOM 1281 O LEU A 79 86.220 -8.876 -0.034 1.00 0.00 O ATOM 1282 CB LEU A 79 85.646 -6.473 2.248 1.00 0.00 C ATOM 1283 CG LEU A 79 85.776 -7.180 3.588 1.00 0.00 C ATOM 1284 CD1 LEU A 79 86.546 -6.267 4.541 1.00 0.00 C ATOM 1285 CD2 LEU A 79 84.390 -7.474 4.191 1.00 0.00 C ATOM 0 H LEU A 79 83.181 -6.821 2.330 1.00 0.00 H new ATOM 0 HA LEU A 79 84.973 -6.764 0.256 1.00 0.00 H new ATOM 0 HB2 LEU A 79 86.641 -6.223 1.879 1.00 0.00 H new ATOM 0 HB3 LEU A 79 85.113 -5.533 2.391 1.00 0.00 H new ATOM 0 HG LEU A 79 86.299 -8.125 3.443 1.00 0.00 H new ATOM 0 HD11 LEU A 79 86.650 -6.757 5.509 1.00 0.00 H new ATOM 0 HD12 LEU A 79 87.534 -6.062 4.130 1.00 0.00 H new ATOM 0 HD13 LEU A 79 86.003 -5.330 4.665 1.00 0.00 H new ATOM 0 HD21 LEU A 79 84.510 -7.980 5.149 1.00 0.00 H new ATOM 0 HD22 LEU A 79 83.852 -6.538 4.340 1.00 0.00 H new ATOM 0 HD23 LEU A 79 83.826 -8.113 3.512 1.00 0.00 H new ATOM 1297 N ASP A 80 85.462 -9.549 1.900 1.00 0.00 N ATOM 1298 CA ASP A 80 86.062 -10.899 1.724 1.00 0.00 C ATOM 1299 C ASP A 80 85.736 -11.420 0.331 1.00 0.00 C ATOM 1300 O ASP A 80 86.517 -12.113 -0.291 1.00 0.00 O ATOM 1301 CB ASP A 80 85.427 -11.831 2.739 1.00 0.00 C ATOM 1302 CG ASP A 80 86.279 -13.093 2.899 1.00 0.00 C ATOM 1303 OD1 ASP A 80 87.465 -12.955 3.146 1.00 0.00 O ATOM 1304 OD2 ASP A 80 85.730 -14.175 2.771 1.00 0.00 O ATOM 0 H ASP A 80 84.956 -9.413 2.775 1.00 0.00 H new ATOM 0 HA ASP A 80 87.143 -10.848 1.857 1.00 0.00 H new ATOM 0 HB2 ASP A 80 85.330 -11.324 3.699 1.00 0.00 H new ATOM 0 HB3 ASP A 80 84.421 -12.100 2.418 1.00 0.00 H new ATOM 1309 N LYS A 81 84.575 -11.092 -0.155 1.00 0.00 N ATOM 1310 CA LYS A 81 84.192 -11.576 -1.508 1.00 0.00 C ATOM 1311 C LYS A 81 85.119 -10.895 -2.505 1.00 0.00 C ATOM 1312 O LYS A 81 85.469 -11.445 -3.531 1.00 0.00 O ATOM 1313 CB LYS A 81 82.671 -11.337 -1.764 1.00 0.00 C ATOM 1314 CG LYS A 81 82.384 -10.377 -2.935 1.00 0.00 C ATOM 1315 CD LYS A 81 82.523 -8.936 -2.454 1.00 0.00 C ATOM 1316 CE LYS A 81 82.206 -7.967 -3.593 1.00 0.00 C ATOM 1317 NZ LYS A 81 82.818 -6.640 -3.299 1.00 0.00 N ATOM 0 H LYS A 81 83.880 -10.516 0.320 1.00 0.00 H new ATOM 0 HA LYS A 81 84.318 -12.654 -1.614 1.00 0.00 H new ATOM 0 HB2 LYS A 81 82.190 -12.295 -1.964 1.00 0.00 H new ATOM 0 HB3 LYS A 81 82.217 -10.936 -0.857 1.00 0.00 H new ATOM 0 HG2 LYS A 81 83.078 -10.567 -3.754 1.00 0.00 H new ATOM 0 HG3 LYS A 81 81.379 -10.548 -3.322 1.00 0.00 H new ATOM 0 HD2 LYS A 81 81.848 -8.758 -1.617 1.00 0.00 H new ATOM 0 HD3 LYS A 81 83.536 -8.762 -2.090 1.00 0.00 H new ATOM 0 HE2 LYS A 81 82.592 -8.357 -4.535 1.00 0.00 H new ATOM 0 HE3 LYS A 81 81.127 -7.865 -3.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 82.874 -6.082 -4.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 82.233 -6.135 -2.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 83.774 -6.776 -2.914 1.00 0.00 H new ATOM 1331 N TYR A 82 85.548 -9.713 -2.186 1.00 0.00 N ATOM 1332 CA TYR A 82 86.489 -8.996 -3.079 1.00 0.00 C ATOM 1333 C TYR A 82 87.884 -9.580 -2.826 1.00 0.00 C ATOM 1334 O TYR A 82 88.570 -9.993 -3.740 1.00 0.00 O ATOM 1335 CB TYR A 82 86.453 -7.492 -2.746 1.00 0.00 C ATOM 1336 CG TYR A 82 86.753 -6.641 -3.973 1.00 0.00 C ATOM 1337 CD1 TYR A 82 86.150 -5.382 -4.097 1.00 0.00 C ATOM 1338 CD2 TYR A 82 87.629 -7.093 -4.975 1.00 0.00 C ATOM 1339 CE1 TYR A 82 86.419 -4.581 -5.214 1.00 0.00 C ATOM 1340 CE2 TYR A 82 87.893 -6.289 -6.090 1.00 0.00 C ATOM 1341 CZ TYR A 82 87.289 -5.035 -6.210 1.00 0.00 C ATOM 1342 OH TYR A 82 87.552 -4.244 -7.309 1.00 0.00 O ATOM 0 H TYR A 82 85.286 -9.209 -1.339 1.00 0.00 H new ATOM 0 HA TYR A 82 86.221 -9.115 -4.129 1.00 0.00 H new ATOM 0 HB2 TYR A 82 85.472 -7.229 -2.351 1.00 0.00 H new ATOM 0 HB3 TYR A 82 87.180 -7.274 -1.964 1.00 0.00 H new ATOM 0 HD1 TYR A 82 85.477 -5.029 -3.330 1.00 0.00 H new ATOM 0 HD2 TYR A 82 88.099 -8.061 -4.885 1.00 0.00 H new ATOM 0 HE1 TYR A 82 85.954 -3.611 -5.306 1.00 0.00 H new ATOM 0 HE2 TYR A 82 88.565 -6.639 -6.859 1.00 0.00 H new ATOM 0 HH TYR A 82 88.177 -4.708 -7.904 1.00 0.00 H new ATOM 1352 N GLY A 83 88.299 -9.636 -1.579 1.00 0.00 N ATOM 1353 CA GLY A 83 89.656 -10.213 -1.254 1.00 0.00 C ATOM 1354 C GLY A 83 90.465 -9.173 -0.486 1.00 0.00 C ATOM 1355 O GLY A 83 91.648 -9.318 -0.250 1.00 0.00 O ATOM 0 H GLY A 83 87.764 -9.310 -0.774 1.00 0.00 H new ATOM 0 HA2 GLY A 83 89.547 -11.120 -0.659 1.00 0.00 H new ATOM 0 HA3 GLY A 83 90.176 -10.493 -2.170 1.00 0.00 H new ATOM 1359 N ILE A 84 89.809 -8.134 -0.096 1.00 0.00 N ATOM 1360 CA ILE A 84 90.450 -7.039 0.671 1.00 0.00 C ATOM 1361 C ILE A 84 90.995 -7.592 1.990 1.00 0.00 C ATOM 1362 O ILE A 84 90.599 -8.648 2.442 1.00 0.00 O ATOM 1363 CB ILE A 84 89.342 -6.038 0.950 1.00 0.00 C ATOM 1364 CG1 ILE A 84 88.930 -5.328 -0.341 1.00 0.00 C ATOM 1365 CG2 ILE A 84 89.741 -4.996 1.985 1.00 0.00 C ATOM 1366 CD1 ILE A 84 87.528 -4.735 -0.169 1.00 0.00 C ATOM 0 H ILE A 84 88.817 -7.989 -0.282 1.00 0.00 H new ATOM 0 HA ILE A 84 91.279 -6.585 0.128 1.00 0.00 H new ATOM 0 HB ILE A 84 88.504 -6.606 1.353 1.00 0.00 H new ATOM 0 HG12 ILE A 84 89.644 -4.540 -0.579 1.00 0.00 H new ATOM 0 HG13 ILE A 84 88.940 -6.030 -1.175 1.00 0.00 H new ATOM 0 HG21 ILE A 84 88.912 -4.307 2.146 1.00 0.00 H new ATOM 0 HG22 ILE A 84 89.988 -5.492 2.924 1.00 0.00 H new ATOM 0 HG23 ILE A 84 90.609 -4.442 1.628 1.00 0.00 H new ATOM 0 HD11 ILE A 84 87.232 -4.228 -1.088 1.00 0.00 H new ATOM 0 HD12 ILE A 84 86.819 -5.534 0.049 1.00 0.00 H new ATOM 0 HD13 ILE A 84 87.534 -4.020 0.654 1.00 0.00 H new ATOM 1378 N GLN A 85 91.889 -6.881 2.617 1.00 0.00 N ATOM 1379 CA GLN A 85 92.445 -7.358 3.912 1.00 0.00 C ATOM 1380 C GLN A 85 93.115 -6.184 4.639 1.00 0.00 C ATOM 1381 O GLN A 85 92.834 -5.033 4.373 1.00 0.00 O ATOM 1382 CB GLN A 85 93.475 -8.475 3.646 1.00 0.00 C ATOM 1383 CG GLN A 85 93.486 -9.486 4.815 1.00 0.00 C ATOM 1384 CD GLN A 85 92.454 -10.585 4.562 1.00 0.00 C ATOM 1385 OE1 GLN A 85 92.723 -11.752 4.762 1.00 0.00 O ATOM 1386 NE2 GLN A 85 91.276 -10.250 4.127 1.00 0.00 N ATOM 0 H GLN A 85 92.259 -5.989 2.288 1.00 0.00 H new ATOM 0 HA GLN A 85 91.644 -7.754 4.536 1.00 0.00 H new ATOM 0 HB2 GLN A 85 93.233 -8.988 2.715 1.00 0.00 H new ATOM 0 HB3 GLN A 85 94.467 -8.042 3.522 1.00 0.00 H new ATOM 0 HG2 GLN A 85 94.479 -9.924 4.919 1.00 0.00 H new ATOM 0 HG3 GLN A 85 93.263 -8.975 5.752 1.00 0.00 H new ATOM 0 HE21 GLN A 85 91.054 -9.269 3.960 1.00 0.00 H new ATOM 0 HE22 GLN A 85 90.573 -10.969 3.952 1.00 0.00 H new ATOM 1395 N ALA A 86 93.998 -6.472 5.553 1.00 0.00 N ATOM 1396 CA ALA A 86 94.690 -5.384 6.301 1.00 0.00 C ATOM 1397 C ALA A 86 95.717 -4.709 5.396 1.00 0.00 C ATOM 1398 O ALA A 86 96.069 -3.561 5.582 1.00 0.00 O ATOM 1399 CB ALA A 86 95.418 -5.989 7.497 1.00 0.00 C ATOM 0 H ALA A 86 94.272 -7.419 5.816 1.00 0.00 H new ATOM 0 HA ALA A 86 93.955 -4.651 6.634 1.00 0.00 H new ATOM 0 HB1 ALA A 86 95.927 -5.200 8.050 1.00 0.00 H new ATOM 0 HB2 ALA A 86 94.698 -6.483 8.149 1.00 0.00 H new ATOM 0 HB3 ALA A 86 96.150 -6.717 7.147 1.00 0.00 H new ATOM 1405 N ASP A 87 96.208 -5.419 4.423 1.00 0.00 N ATOM 1406 CA ASP A 87 97.223 -4.832 3.511 1.00 0.00 C ATOM 1407 C ASP A 87 96.520 -3.958 2.478 1.00 0.00 C ATOM 1408 O ASP A 87 97.143 -3.346 1.633 1.00 0.00 O ATOM 1409 CB ASP A 87 97.972 -5.965 2.808 1.00 0.00 C ATOM 1410 CG ASP A 87 96.981 -7.062 2.415 1.00 0.00 C ATOM 1411 OD1 ASP A 87 97.325 -8.224 2.559 1.00 0.00 O ATOM 1412 OD2 ASP A 87 95.894 -6.722 1.977 1.00 0.00 O ATOM 0 H ASP A 87 95.949 -6.384 4.219 1.00 0.00 H new ATOM 0 HA ASP A 87 97.930 -4.224 4.076 1.00 0.00 H new ATOM 0 HB2 ASP A 87 98.481 -5.585 1.922 1.00 0.00 H new ATOM 0 HB3 ASP A 87 98.740 -6.372 3.466 1.00 0.00 H new ATOM 1417 N ALA A 88 95.220 -3.904 2.538 1.00 0.00 N ATOM 1418 CA ALA A 88 94.447 -3.086 1.570 1.00 0.00 C ATOM 1419 C ALA A 88 94.074 -1.756 2.226 1.00 0.00 C ATOM 1420 O ALA A 88 93.313 -1.720 3.165 1.00 0.00 O ATOM 1421 CB ALA A 88 93.185 -3.867 1.230 1.00 0.00 C ATOM 0 H ALA A 88 94.654 -4.400 3.227 1.00 0.00 H new ATOM 0 HA ALA A 88 95.027 -2.882 0.670 1.00 0.00 H new ATOM 0 HB1 ALA A 88 92.586 -3.299 0.518 1.00 0.00 H new ATOM 0 HB2 ALA A 88 93.458 -4.826 0.790 1.00 0.00 H new ATOM 0 HB3 ALA A 88 92.606 -4.036 2.138 1.00 0.00 H new ATOM 1427 N LYS A 89 94.607 -0.660 1.751 1.00 0.00 N ATOM 1428 CA LYS A 89 94.277 0.663 2.370 1.00 0.00 C ATOM 1429 C LYS A 89 93.190 1.365 1.566 1.00 0.00 C ATOM 1430 O LYS A 89 93.376 1.747 0.428 1.00 0.00 O ATOM 1431 CB LYS A 89 95.524 1.556 2.429 1.00 0.00 C ATOM 1432 CG LYS A 89 96.770 0.726 2.755 1.00 0.00 C ATOM 1433 CD LYS A 89 96.712 0.200 4.197 1.00 0.00 C ATOM 1434 CE LYS A 89 97.664 -0.983 4.340 1.00 0.00 C ATOM 1435 NZ LYS A 89 99.024 -0.585 3.880 1.00 0.00 N ATOM 0 H LYS A 89 95.255 -0.622 0.964 1.00 0.00 H new ATOM 0 HA LYS A 89 93.918 0.484 3.384 1.00 0.00 H new ATOM 0 HB2 LYS A 89 95.659 2.064 1.474 1.00 0.00 H new ATOM 0 HB3 LYS A 89 95.388 2.329 3.185 1.00 0.00 H new ATOM 0 HG2 LYS A 89 96.847 -0.111 2.061 1.00 0.00 H new ATOM 0 HG3 LYS A 89 97.664 1.335 2.621 1.00 0.00 H new ATOM 0 HD2 LYS A 89 96.987 0.990 4.896 1.00 0.00 H new ATOM 0 HD3 LYS A 89 95.695 -0.105 4.445 1.00 0.00 H new ATOM 0 HE2 LYS A 89 97.701 -1.310 5.379 1.00 0.00 H new ATOM 0 HE3 LYS A 89 97.303 -1.827 3.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 99.731 -1.228 4.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 99.069 -0.637 2.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 99.223 0.389 4.186 1.00 0.00 H new ATOM 1449 N LEU A 90 92.061 1.551 2.180 1.00 0.00 N ATOM 1450 CA LEU A 90 90.929 2.250 1.511 1.00 0.00 C ATOM 1451 C LEU A 90 91.025 3.738 1.832 1.00 0.00 C ATOM 1452 O LEU A 90 91.884 4.165 2.574 1.00 0.00 O ATOM 1453 CB LEU A 90 89.596 1.682 2.006 1.00 0.00 C ATOM 1454 CG LEU A 90 89.722 0.169 2.165 1.00 0.00 C ATOM 1455 CD1 LEU A 90 88.357 -0.427 2.519 1.00 0.00 C ATOM 1456 CD2 LEU A 90 90.233 -0.453 0.859 1.00 0.00 C ATOM 0 H LEU A 90 91.869 1.244 3.133 1.00 0.00 H new ATOM 0 HA LEU A 90 90.981 2.102 0.432 1.00 0.00 H new ATOM 0 HB2 LEU A 90 89.324 2.138 2.958 1.00 0.00 H new ATOM 0 HB3 LEU A 90 88.801 1.920 1.300 1.00 0.00 H new ATOM 0 HG LEU A 90 90.430 -0.048 2.965 1.00 0.00 H new ATOM 0 HD11 LEU A 90 88.450 -1.507 2.632 1.00 0.00 H new ATOM 0 HD12 LEU A 90 88.002 0.006 3.454 1.00 0.00 H new ATOM 0 HD13 LEU A 90 87.646 -0.205 1.723 1.00 0.00 H new ATOM 0 HD21 LEU A 90 90.320 -1.533 0.980 1.00 0.00 H new ATOM 0 HD22 LEU A 90 89.533 -0.234 0.053 1.00 0.00 H new ATOM 0 HD23 LEU A 90 91.210 -0.035 0.615 1.00 0.00 H new ATOM 1468 N GLN A 91 90.161 4.536 1.275 1.00 0.00 N ATOM 1469 CA GLN A 91 90.200 6.009 1.556 1.00 0.00 C ATOM 1470 C GLN A 91 88.761 6.472 1.629 1.00 0.00 C ATOM 1471 O GLN A 91 87.947 5.952 0.927 1.00 0.00 O ATOM 1472 CB GLN A 91 90.879 6.804 0.415 1.00 0.00 C ATOM 1473 CG GLN A 91 92.118 6.084 -0.149 1.00 0.00 C ATOM 1474 CD GLN A 91 92.377 6.532 -1.584 1.00 0.00 C ATOM 1475 OE1 GLN A 91 93.226 5.984 -2.256 1.00 0.00 O ATOM 1476 NE2 GLN A 91 91.687 7.514 -2.083 1.00 0.00 N ATOM 0 H GLN A 91 89.425 4.238 0.635 1.00 0.00 H new ATOM 0 HA GLN A 91 90.763 6.179 2.474 1.00 0.00 H new ATOM 0 HB2 GLN A 91 90.160 6.966 -0.388 1.00 0.00 H new ATOM 0 HB3 GLN A 91 91.171 7.787 0.785 1.00 0.00 H new ATOM 0 HG2 GLN A 91 92.988 6.301 0.471 1.00 0.00 H new ATOM 0 HG3 GLN A 91 91.966 5.005 -0.118 1.00 0.00 H new ATOM 0 HE21 GLN A 91 90.973 7.975 -1.518 1.00 0.00 H new ATOM 0 HE22 GLN A 91 91.859 7.824 -3.039 1.00 0.00 H new ATOM 1485 N PHE A 92 88.444 7.459 2.423 1.00 0.00 N ATOM 1486 CA PHE A 92 87.027 7.956 2.469 1.00 0.00 C ATOM 1487 C PHE A 92 87.002 9.356 1.857 1.00 0.00 C ATOM 1488 O PHE A 92 87.213 10.355 2.514 1.00 0.00 O ATOM 1489 CB PHE A 92 86.515 7.948 3.922 1.00 0.00 C ATOM 1490 CG PHE A 92 84.997 7.896 3.931 1.00 0.00 C ATOM 1491 CD1 PHE A 92 84.344 6.778 3.401 1.00 0.00 C ATOM 1492 CD2 PHE A 92 84.245 8.956 4.454 1.00 0.00 C ATOM 1493 CE1 PHE A 92 82.948 6.715 3.390 1.00 0.00 C ATOM 1494 CE2 PHE A 92 82.841 8.886 4.444 1.00 0.00 C ATOM 1495 CZ PHE A 92 82.198 7.767 3.912 1.00 0.00 C ATOM 0 H PHE A 92 89.096 7.944 3.040 1.00 0.00 H new ATOM 0 HA PHE A 92 86.363 7.308 1.897 1.00 0.00 H new ATOM 0 HB2 PHE A 92 86.921 7.089 4.456 1.00 0.00 H new ATOM 0 HB3 PHE A 92 86.861 8.840 4.444 1.00 0.00 H new ATOM 0 HD1 PHE A 92 84.922 5.959 2.998 1.00 0.00 H new ATOM 0 HD2 PHE A 92 84.742 9.823 4.863 1.00 0.00 H new ATOM 0 HE1 PHE A 92 82.450 5.850 2.977 1.00 0.00 H new ATOM 0 HE2 PHE A 92 82.258 9.700 4.849 1.00 0.00 H new ATOM 0 HZ PHE A 92 81.119 7.717 3.905 1.00 0.00 H new ATOM 1505 N THR A 93 86.775 9.402 0.566 1.00 0.00 N ATOM 1506 CA THR A 93 86.760 10.700 -0.193 1.00 0.00 C ATOM 1507 C THR A 93 85.313 11.053 -0.580 1.00 0.00 C ATOM 1508 O THR A 93 84.393 10.344 -0.232 1.00 0.00 O ATOM 1509 CB THR A 93 87.616 10.543 -1.474 1.00 0.00 C ATOM 1510 OG1 THR A 93 86.768 10.364 -2.601 1.00 0.00 O ATOM 1511 CG2 THR A 93 88.539 9.326 -1.353 1.00 0.00 C ATOM 0 H THR A 93 86.595 8.578 -0.008 1.00 0.00 H new ATOM 0 HA THR A 93 87.169 11.496 0.429 1.00 0.00 H new ATOM 0 HB THR A 93 88.217 11.444 -1.599 1.00 0.00 H new ATOM 0 HG1 THR A 93 87.314 10.267 -3.409 1.00 0.00 H new ATOM 0 HG21 THR A 93 89.134 9.229 -2.261 1.00 0.00 H new ATOM 0 HG22 THR A 93 89.201 9.455 -0.497 1.00 0.00 H new ATOM 0 HG23 THR A 93 87.939 8.427 -1.215 1.00 0.00 H new ATOM 1642 N SER B 547 56.266 28.001 12.192 1.00 0.00 N ATOM 1643 CA SER B 547 55.746 26.852 12.984 1.00 0.00 C ATOM 1644 C SER B 547 56.810 26.468 14.005 1.00 0.00 C ATOM 1645 O SER B 547 57.910 26.131 13.649 1.00 0.00 O ATOM 1646 CB SER B 547 55.478 25.670 12.045 1.00 0.00 C ATOM 1647 OG SER B 547 54.151 25.764 11.542 1.00 0.00 O ATOM 0 HA SER B 547 54.818 27.119 13.489 1.00 0.00 H new ATOM 0 HB2 SER B 547 56.193 25.674 11.222 1.00 0.00 H new ATOM 0 HB3 SER B 547 55.612 24.729 12.578 1.00 0.00 H new ATOM 0 HG SER B 547 53.975 25.011 10.940 1.00 0.00 H new ATOM 1653 N LEU B 548 56.509 26.534 15.265 1.00 0.00 N ATOM 1654 CA LEU B 548 57.539 26.189 16.277 1.00 0.00 C ATOM 1655 C LEU B 548 58.004 24.747 16.097 1.00 0.00 C ATOM 1656 O LEU B 548 57.211 23.852 15.923 1.00 0.00 O ATOM 1657 CB LEU B 548 56.951 26.386 17.693 1.00 0.00 C ATOM 1658 CG LEU B 548 57.419 27.732 18.276 1.00 0.00 C ATOM 1659 CD1 LEU B 548 56.758 28.888 17.520 1.00 0.00 C ATOM 1660 CD2 LEU B 548 57.046 27.818 19.752 1.00 0.00 C ATOM 0 H LEU B 548 55.601 26.810 15.638 1.00 0.00 H new ATOM 0 HA LEU B 548 58.400 26.844 16.147 1.00 0.00 H new ATOM 0 HB2 LEU B 548 55.862 26.358 17.651 1.00 0.00 H new ATOM 0 HB3 LEU B 548 57.266 25.570 18.343 1.00 0.00 H new ATOM 0 HG LEU B 548 58.502 27.801 18.170 1.00 0.00 H new ATOM 0 HD11 LEU B 548 57.095 29.836 17.939 1.00 0.00 H new ATOM 0 HD12 LEU B 548 57.033 28.838 16.467 1.00 0.00 H new ATOM 0 HD13 LEU B 548 55.675 28.813 17.616 1.00 0.00 H new ATOM 0 HD21 LEU B 548 57.381 28.773 20.157 1.00 0.00 H new ATOM 0 HD22 LEU B 548 55.964 27.737 19.859 1.00 0.00 H new ATOM 0 HD23 LEU B 548 57.526 27.005 20.297 1.00 0.00 H new ATOM 1672 N CYS B 549 59.290 24.517 16.182 1.00 0.00 N ATOM 1673 CA CYS B 549 59.804 23.133 16.053 1.00 0.00 C ATOM 1674 C CYS B 549 59.668 22.515 17.440 1.00 0.00 C ATOM 1675 O CYS B 549 60.410 22.808 18.353 1.00 0.00 O ATOM 1676 CB CYS B 549 61.275 23.222 15.596 1.00 0.00 C ATOM 1677 SG CYS B 549 62.270 21.798 16.145 1.00 0.00 S ATOM 0 H CYS B 549 60.001 25.232 16.335 1.00 0.00 H new ATOM 0 HA CYS B 549 59.267 22.524 15.326 1.00 0.00 H new ATOM 0 HB2 CYS B 549 61.310 23.287 14.508 1.00 0.00 H new ATOM 0 HB3 CYS B 549 61.717 24.140 15.984 1.00 0.00 H new ATOM 0 HG CYS B 549 61.483 20.806 16.440 1.00 0.00 H new ATOM 1682 N SER B 550 58.667 21.697 17.597 1.00 0.00 N ATOM 1683 CA SER B 550 58.386 21.078 18.918 1.00 0.00 C ATOM 1684 C SER B 550 59.649 20.474 19.506 1.00 0.00 C ATOM 1685 O SER B 550 60.358 19.717 18.875 1.00 0.00 O ATOM 1686 CB SER B 550 57.295 20.025 18.764 1.00 0.00 C ATOM 1687 OG SER B 550 57.358 19.115 19.855 1.00 0.00 O ATOM 0 H SER B 550 58.022 21.428 16.854 1.00 0.00 H new ATOM 0 HA SER B 550 58.037 21.847 19.608 1.00 0.00 H new ATOM 0 HB2 SER B 550 56.316 20.503 18.731 1.00 0.00 H new ATOM 0 HB3 SER B 550 57.421 19.490 17.823 1.00 0.00 H new ATOM 0 HG SER B 550 56.656 18.438 19.758 1.00 0.00 H new ATOM 1693 N GLY B 551 59.942 20.847 20.719 1.00 0.00 N ATOM 1694 CA GLY B 551 61.174 20.355 21.399 1.00 0.00 C ATOM 1695 C GLY B 551 62.204 21.465 21.297 1.00 0.00 C ATOM 1696 O GLY B 551 63.099 21.600 22.108 1.00 0.00 O ATOM 0 H GLY B 551 59.372 21.482 21.278 1.00 0.00 H new ATOM 0 HA2 GLY B 551 60.969 20.112 22.442 1.00 0.00 H new ATOM 0 HA3 GLY B 551 61.539 19.444 20.925 1.00 0.00 H new ATOM 1700 N CYS B 552 62.053 22.267 20.287 1.00 0.00 N ATOM 1701 CA CYS B 552 62.959 23.406 20.046 1.00 0.00 C ATOM 1702 C CYS B 552 62.142 24.674 20.318 1.00 0.00 C ATOM 1703 O CYS B 552 62.645 25.681 20.764 1.00 0.00 O ATOM 1704 CB CYS B 552 63.354 23.298 18.578 1.00 0.00 C ATOM 1705 SG CYS B 552 64.856 24.202 18.197 1.00 0.00 S ATOM 0 H CYS B 552 61.309 22.172 19.596 1.00 0.00 H new ATOM 0 HA CYS B 552 63.851 23.422 20.672 1.00 0.00 H new ATOM 0 HB2 CYS B 552 63.491 22.248 18.319 1.00 0.00 H new ATOM 0 HB3 CYS B 552 62.541 23.675 17.958 1.00 0.00 H new ATOM 0 HG CYS B 552 64.912 25.278 18.925 1.00 0.00 H new ATOM 1710 N GLN B 553 60.862 24.584 20.061 1.00 0.00 N ATOM 1711 CA GLN B 553 59.920 25.714 20.284 1.00 0.00 C ATOM 1712 C GLN B 553 60.449 27.015 19.716 1.00 0.00 C ATOM 1713 O GLN B 553 60.551 28.027 20.379 1.00 0.00 O ATOM 1714 CB GLN B 553 59.586 25.858 21.756 1.00 0.00 C ATOM 1715 CG GLN B 553 58.851 24.596 22.208 1.00 0.00 C ATOM 1716 CD GLN B 553 57.469 24.498 21.552 1.00 0.00 C ATOM 1717 OE1 GLN B 553 56.474 24.888 22.130 1.00 0.00 O ATOM 1718 NE2 GLN B 553 57.376 23.984 20.356 1.00 0.00 N ATOM 0 H GLN B 553 60.420 23.742 19.693 1.00 0.00 H new ATOM 0 HA GLN B 553 59.001 25.480 19.746 1.00 0.00 H new ATOM 0 HB2 GLN B 553 60.496 25.997 22.340 1.00 0.00 H new ATOM 0 HB3 GLN B 553 58.965 26.738 21.920 1.00 0.00 H new ATOM 0 HG2 GLN B 553 59.442 23.716 21.953 1.00 0.00 H new ATOM 0 HG3 GLN B 553 58.743 24.603 23.293 1.00 0.00 H new ATOM 0 HE21 GLN B 553 58.214 23.658 19.874 1.00 0.00 H new ATOM 0 HE22 GLN B 553 56.465 23.908 19.903 1.00 0.00 H new ATOM 1727 N LYS B 554 60.722 26.976 18.459 1.00 0.00 N ATOM 1728 CA LYS B 554 61.190 28.178 17.711 1.00 0.00 C ATOM 1729 C LYS B 554 60.542 28.122 16.311 1.00 0.00 C ATOM 1730 O LYS B 554 60.663 27.118 15.637 1.00 0.00 O ATOM 1731 CB LYS B 554 62.710 28.151 17.571 1.00 0.00 C ATOM 1732 CG LYS B 554 63.374 28.365 18.935 1.00 0.00 C ATOM 1733 CD LYS B 554 63.055 29.769 19.478 1.00 0.00 C ATOM 1734 CE LYS B 554 64.166 30.228 20.430 1.00 0.00 C ATOM 1735 NZ LYS B 554 64.247 29.293 21.587 1.00 0.00 N ATOM 0 H LYS B 554 60.641 26.135 17.888 1.00 0.00 H new ATOM 0 HA LYS B 554 60.912 29.091 18.238 1.00 0.00 H new ATOM 0 HB2 LYS B 554 63.026 27.196 17.151 1.00 0.00 H new ATOM 0 HB3 LYS B 554 63.032 28.927 16.877 1.00 0.00 H new ATOM 0 HG2 LYS B 554 63.025 27.609 19.638 1.00 0.00 H new ATOM 0 HG3 LYS B 554 64.453 28.241 18.844 1.00 0.00 H new ATOM 0 HD2 LYS B 554 62.958 30.474 18.652 1.00 0.00 H new ATOM 0 HD3 LYS B 554 62.099 29.757 20.001 1.00 0.00 H new ATOM 0 HE2 LYS B 554 65.121 30.257 19.905 1.00 0.00 H new ATOM 0 HE3 LYS B 554 63.964 31.240 20.780 1.00 0.00 H new ATOM 0 HZ1 LYS B 554 64.850 29.707 22.326 1.00 0.00 H new ATOM 0 HZ2 LYS B 554 63.294 29.130 21.969 1.00 0.00 H new ATOM 0 HZ3 LYS B 554 64.654 28.389 21.275 1.00 0.00 H new ATOM 1749 N PRO B 555 59.839 29.143 15.859 1.00 0.00 N ATOM 1750 CA PRO B 555 59.180 29.082 14.522 1.00 0.00 C ATOM 1751 C PRO B 555 60.051 28.499 13.410 1.00 0.00 C ATOM 1752 O PRO B 555 61.217 28.809 13.267 1.00 0.00 O ATOM 1753 CB PRO B 555 58.857 30.550 14.256 1.00 0.00 C ATOM 1754 CG PRO B 555 58.817 31.259 15.619 1.00 0.00 C ATOM 1755 CD PRO B 555 59.625 30.406 16.618 1.00 0.00 C ATOM 0 HA PRO B 555 58.319 28.414 14.528 1.00 0.00 H new ATOM 0 HB2 PRO B 555 59.611 30.999 13.610 1.00 0.00 H new ATOM 0 HB3 PRO B 555 57.900 30.647 13.743 1.00 0.00 H new ATOM 0 HG2 PRO B 555 59.241 32.260 15.541 1.00 0.00 H new ATOM 0 HG3 PRO B 555 57.788 31.374 15.960 1.00 0.00 H new ATOM 0 HD2 PRO B 555 60.567 30.882 16.889 1.00 0.00 H new ATOM 0 HD3 PRO B 555 59.076 30.236 17.544 1.00 0.00 H new ATOM 1763 N ILE B 556 59.452 27.655 12.621 1.00 0.00 N ATOM 1764 CA ILE B 556 60.159 27.013 11.487 1.00 0.00 C ATOM 1765 C ILE B 556 59.886 27.835 10.227 1.00 0.00 C ATOM 1766 O ILE B 556 58.842 27.720 9.616 1.00 0.00 O ATOM 1767 CB ILE B 556 59.597 25.602 11.327 1.00 0.00 C ATOM 1768 CG1 ILE B 556 59.996 24.743 12.550 1.00 0.00 C ATOM 1769 CG2 ILE B 556 60.152 24.975 10.053 1.00 0.00 C ATOM 1770 CD1 ILE B 556 59.006 23.575 12.749 1.00 0.00 C ATOM 0 H ILE B 556 58.475 27.378 12.720 1.00 0.00 H new ATOM 0 HA ILE B 556 61.234 26.964 11.659 1.00 0.00 H new ATOM 0 HB ILE B 556 58.510 25.649 11.261 1.00 0.00 H new ATOM 0 HG12 ILE B 556 61.004 24.351 12.411 1.00 0.00 H new ATOM 0 HG13 ILE B 556 60.016 25.365 13.445 1.00 0.00 H new ATOM 0 HG21 ILE B 556 59.751 23.968 9.939 1.00 0.00 H new ATOM 0 HG22 ILE B 556 59.863 25.580 9.194 1.00 0.00 H new ATOM 0 HG23 ILE B 556 61.239 24.928 10.114 1.00 0.00 H new ATOM 0 HD11 ILE B 556 59.308 22.986 13.615 1.00 0.00 H new ATOM 0 HD12 ILE B 556 58.004 23.971 12.911 1.00 0.00 H new ATOM 0 HD13 ILE B 556 59.007 22.942 11.861 1.00 0.00 H new ATOM 1782 N THR B 557 60.801 28.692 9.855 1.00 0.00 N ATOM 1783 CA THR B 557 60.584 29.562 8.656 1.00 0.00 C ATOM 1784 C THR B 557 61.302 28.999 7.427 1.00 0.00 C ATOM 1785 O THR B 557 62.448 29.298 7.158 1.00 0.00 O ATOM 1786 CB THR B 557 61.109 30.960 8.978 1.00 0.00 C ATOM 1787 OG1 THR B 557 62.516 30.999 8.782 1.00 0.00 O ATOM 1788 CG2 THR B 557 60.784 31.284 10.438 1.00 0.00 C ATOM 0 H THR B 557 61.693 28.829 10.330 1.00 0.00 H new ATOM 0 HA THR B 557 59.520 29.600 8.424 1.00 0.00 H new ATOM 0 HB THR B 557 60.639 31.693 8.322 1.00 0.00 H new ATOM 0 HG1 THR B 557 62.725 30.744 7.859 1.00 0.00 H new ATOM 0 HG21 THR B 557 61.154 32.280 10.681 1.00 0.00 H new ATOM 0 HG22 THR B 557 59.705 31.252 10.586 1.00 0.00 H new ATOM 0 HG23 THR B 557 61.262 30.551 11.088 1.00 0.00 H new ATOM 1796 N GLY B 558 60.613 28.188 6.680 1.00 0.00 N ATOM 1797 CA GLY B 558 61.198 27.585 5.452 1.00 0.00 C ATOM 1798 C GLY B 558 60.452 26.286 5.174 1.00 0.00 C ATOM 1799 O GLY B 558 59.375 26.280 4.612 1.00 0.00 O ATOM 0 H GLY B 558 59.650 27.912 6.872 1.00 0.00 H new ATOM 0 HA2 GLY B 558 61.104 28.268 4.608 1.00 0.00 H new ATOM 0 HA3 GLY B 558 62.262 27.393 5.590 1.00 0.00 H new ATOM 1803 N ARG B 559 61.009 25.192 5.603 1.00 0.00 N ATOM 1804 CA ARG B 559 60.355 23.867 5.428 1.00 0.00 C ATOM 1805 C ARG B 559 59.985 23.369 6.814 1.00 0.00 C ATOM 1806 O ARG B 559 60.609 23.737 7.790 1.00 0.00 O ATOM 1807 CB ARG B 559 61.347 22.894 4.771 1.00 0.00 C ATOM 1808 CG ARG B 559 61.282 23.037 3.241 1.00 0.00 C ATOM 1809 CD ARG B 559 60.156 22.163 2.671 1.00 0.00 C ATOM 1810 NE ARG B 559 59.752 22.686 1.335 1.00 0.00 N ATOM 1811 CZ ARG B 559 59.029 21.950 0.535 1.00 0.00 C ATOM 1812 NH1 ARG B 559 58.679 22.407 -0.636 1.00 0.00 N ATOM 1813 NH2 ARG B 559 58.654 20.757 0.908 1.00 0.00 N ATOM 0 H ARG B 559 61.911 25.159 6.079 1.00 0.00 H new ATOM 0 HA ARG B 559 59.471 23.941 4.795 1.00 0.00 H new ATOM 0 HB2 ARG B 559 62.358 23.099 5.122 1.00 0.00 H new ATOM 0 HB3 ARG B 559 61.111 21.870 5.060 1.00 0.00 H new ATOM 0 HG2 ARG B 559 61.113 24.080 2.973 1.00 0.00 H new ATOM 0 HG3 ARG B 559 62.236 22.746 2.801 1.00 0.00 H new ATOM 0 HD2 ARG B 559 60.492 21.130 2.583 1.00 0.00 H new ATOM 0 HD3 ARG B 559 59.302 22.164 3.348 1.00 0.00 H new ATOM 0 HE ARG B 559 60.041 23.620 1.045 1.00 0.00 H new ATOM 0 HH11 ARG B 559 58.970 23.340 -0.927 1.00 0.00 H new ATOM 0 HH12 ARG B 559 58.114 21.831 -1.260 1.00 0.00 H new ATOM 0 HH21 ARG B 559 58.926 20.400 1.824 1.00 0.00 H new ATOM 0 HH22 ARG B 559 58.089 20.181 0.283 1.00 0.00 H new ATOM 1827 N CYS B 560 58.980 22.545 6.930 1.00 0.00 N ATOM 1828 CA CYS B 560 58.600 22.050 8.285 1.00 0.00 C ATOM 1829 C CYS B 560 58.129 20.612 8.240 1.00 0.00 C ATOM 1830 O CYS B 560 57.223 20.250 7.514 1.00 0.00 O ATOM 1831 CB CYS B 560 57.494 22.926 8.873 1.00 0.00 C ATOM 1832 SG CYS B 560 56.096 22.988 7.724 1.00 0.00 S ATOM 0 H CYS B 560 58.412 22.197 6.158 1.00 0.00 H new ATOM 0 HA CYS B 560 59.488 22.101 8.915 1.00 0.00 H new ATOM 0 HB2 CYS B 560 57.171 22.526 9.834 1.00 0.00 H new ATOM 0 HB3 CYS B 560 57.872 23.932 9.057 1.00 0.00 H new ATOM 0 HG CYS B 560 55.971 21.838 7.130 1.00 0.00 H new ATOM 1838 N ILE B 561 58.733 19.797 9.053 1.00 0.00 N ATOM 1839 CA ILE B 561 58.337 18.379 9.129 1.00 0.00 C ATOM 1840 C ILE B 561 57.264 18.269 10.183 1.00 0.00 C ATOM 1841 O ILE B 561 57.270 18.970 11.174 1.00 0.00 O ATOM 1842 CB ILE B 561 59.546 17.549 9.540 1.00 0.00 C ATOM 1843 CG1 ILE B 561 60.581 17.696 8.440 1.00 0.00 C ATOM 1844 CG2 ILE B 561 59.172 16.067 9.709 1.00 0.00 C ATOM 1845 CD1 ILE B 561 61.798 16.833 8.749 1.00 0.00 C ATOM 0 H ILE B 561 59.496 20.063 9.676 1.00 0.00 H new ATOM 0 HA ILE B 561 57.969 18.019 8.168 1.00 0.00 H new ATOM 0 HB ILE B 561 59.931 17.898 10.498 1.00 0.00 H new ATOM 0 HG12 ILE B 561 60.150 17.402 7.483 1.00 0.00 H new ATOM 0 HG13 ILE B 561 60.880 18.740 8.348 1.00 0.00 H new ATOM 0 HG21 ILE B 561 60.055 15.500 10.003 1.00 0.00 H new ATOM 0 HG22 ILE B 561 58.406 15.970 10.479 1.00 0.00 H new ATOM 0 HG23 ILE B 561 58.789 15.679 8.765 1.00 0.00 H new ATOM 0 HD11 ILE B 561 62.535 16.945 7.954 1.00 0.00 H new ATOM 0 HD12 ILE B 561 62.236 17.147 9.697 1.00 0.00 H new ATOM 0 HD13 ILE B 561 61.495 15.788 8.818 1.00 0.00 H new ATOM 1857 N THR B 562 56.346 17.390 9.963 1.00 0.00 N ATOM 1858 CA THR B 562 55.229 17.187 10.931 1.00 0.00 C ATOM 1859 C THR B 562 55.227 15.747 11.393 1.00 0.00 C ATOM 1860 O THR B 562 55.578 14.838 10.667 1.00 0.00 O ATOM 1861 CB THR B 562 53.880 17.518 10.294 1.00 0.00 C ATOM 1862 OG1 THR B 562 53.970 18.755 9.602 1.00 0.00 O ATOM 1863 CG2 THR B 562 52.818 17.615 11.394 1.00 0.00 C ATOM 0 H THR B 562 56.313 16.787 9.141 1.00 0.00 H new ATOM 0 HA THR B 562 55.380 17.855 11.779 1.00 0.00 H new ATOM 0 HB THR B 562 53.604 16.735 9.588 1.00 0.00 H new ATOM 0 HG1 THR B 562 53.109 18.957 9.179 1.00 0.00 H new ATOM 0 HG21 THR B 562 51.852 17.851 10.947 1.00 0.00 H new ATOM 0 HG22 THR B 562 52.751 16.663 11.920 1.00 0.00 H new ATOM 0 HG23 THR B 562 53.094 18.400 12.098 1.00 0.00 H new ATOM 1871 N ALA B 563 54.851 15.551 12.615 1.00 0.00 N ATOM 1872 CA ALA B 563 54.823 14.196 13.213 1.00 0.00 C ATOM 1873 C ALA B 563 53.418 13.907 13.723 1.00 0.00 C ATOM 1874 O ALA B 563 52.441 14.062 13.016 1.00 0.00 O ATOM 1875 CB ALA B 563 55.820 14.162 14.360 1.00 0.00 C ATOM 0 H ALA B 563 54.552 16.296 13.245 1.00 0.00 H new ATOM 0 HA ALA B 563 55.090 13.440 12.475 1.00 0.00 H new ATOM 0 HB1 ALA B 563 55.816 13.172 14.816 1.00 0.00 H new ATOM 0 HB2 ALA B 563 56.818 14.383 13.981 1.00 0.00 H new ATOM 0 HB3 ALA B 563 55.542 14.906 15.106 1.00 0.00 H new ATOM 1881 N MET B 564 53.312 13.490 14.947 1.00 0.00 N ATOM 1882 CA MET B 564 51.983 13.187 15.546 1.00 0.00 C ATOM 1883 C MET B 564 51.171 14.476 15.648 1.00 0.00 C ATOM 1884 O MET B 564 50.320 14.614 16.501 1.00 0.00 O ATOM 1885 CB MET B 564 52.208 12.622 16.945 1.00 0.00 C ATOM 1886 CG MET B 564 53.460 11.742 16.947 1.00 0.00 C ATOM 1887 SD MET B 564 53.451 10.679 18.411 1.00 0.00 S ATOM 1888 CE MET B 564 55.189 10.180 18.343 1.00 0.00 C ATOM 0 H MET B 564 54.104 13.342 15.573 1.00 0.00 H new ATOM 0 HA MET B 564 51.444 12.468 14.929 1.00 0.00 H new ATOM 0 HB2 MET B 564 52.321 13.435 17.663 1.00 0.00 H new ATOM 0 HB3 MET B 564 51.341 12.040 17.257 1.00 0.00 H new ATOM 0 HG2 MET B 564 53.491 11.133 16.043 1.00 0.00 H new ATOM 0 HG3 MET B 564 54.355 12.365 16.943 1.00 0.00 H new ATOM 0 HE1 MET B 564 55.407 9.507 19.172 1.00 0.00 H new ATOM 0 HE2 MET B 564 55.384 9.669 17.400 1.00 0.00 H new ATOM 0 HE3 MET B 564 55.824 11.063 18.415 1.00 0.00 H new ATOM 1898 N ALA B 565 51.492 15.404 14.792 1.00 0.00 N ATOM 1899 CA ALA B 565 50.860 16.758 14.736 1.00 0.00 C ATOM 1900 C ALA B 565 51.904 17.743 15.227 1.00 0.00 C ATOM 1901 O ALA B 565 51.746 18.945 15.136 1.00 0.00 O ATOM 1902 CB ALA B 565 49.602 16.875 15.602 1.00 0.00 C ATOM 0 H ALA B 565 52.213 15.270 14.083 1.00 0.00 H new ATOM 0 HA ALA B 565 50.540 16.957 13.713 1.00 0.00 H new ATOM 0 HB1 ALA B 565 49.193 17.882 15.516 1.00 0.00 H new ATOM 0 HB2 ALA B 565 48.859 16.152 15.265 1.00 0.00 H new ATOM 0 HB3 ALA B 565 49.857 16.675 16.643 1.00 0.00 H new ATOM 1908 N LYS B 566 52.991 17.227 15.736 1.00 0.00 N ATOM 1909 CA LYS B 566 54.077 18.104 16.225 1.00 0.00 C ATOM 1910 C LYS B 566 54.914 18.540 15.031 1.00 0.00 C ATOM 1911 O LYS B 566 55.049 17.816 14.071 1.00 0.00 O ATOM 1912 CB LYS B 566 54.953 17.318 17.198 1.00 0.00 C ATOM 1913 CG LYS B 566 54.084 16.708 18.307 1.00 0.00 C ATOM 1914 CD LYS B 566 53.499 17.820 19.223 1.00 0.00 C ATOM 1915 CE LYS B 566 52.020 18.073 18.887 1.00 0.00 C ATOM 1916 NZ LYS B 566 51.176 17.060 19.581 1.00 0.00 N ATOM 0 H LYS B 566 53.168 16.227 15.832 1.00 0.00 H new ATOM 0 HA LYS B 566 53.664 18.976 16.732 1.00 0.00 H new ATOM 0 HB2 LYS B 566 55.486 16.530 16.666 1.00 0.00 H new ATOM 0 HB3 LYS B 566 55.707 17.974 17.634 1.00 0.00 H new ATOM 0 HG2 LYS B 566 53.272 16.131 17.864 1.00 0.00 H new ATOM 0 HG3 LYS B 566 54.679 16.016 18.902 1.00 0.00 H new ATOM 0 HD2 LYS B 566 53.595 17.526 20.268 1.00 0.00 H new ATOM 0 HD3 LYS B 566 54.069 18.740 19.097 1.00 0.00 H new ATOM 0 HE2 LYS B 566 51.732 19.077 19.197 1.00 0.00 H new ATOM 0 HE3 LYS B 566 51.865 18.015 17.810 1.00 0.00 H new ATOM 0 HZ1 LYS B 566 50.175 17.229 19.355 1.00 0.00 H new ATOM 0 HZ2 LYS B 566 51.446 16.107 19.264 1.00 0.00 H new ATOM 0 HZ3 LYS B 566 51.317 17.136 20.609 1.00 0.00 H new ATOM 1930 N LYS B 567 55.482 19.712 15.081 1.00 0.00 N ATOM 1931 CA LYS B 567 56.315 20.193 13.942 1.00 0.00 C ATOM 1932 C LYS B 567 57.770 19.866 14.245 1.00 0.00 C ATOM 1933 O LYS B 567 58.090 19.383 15.313 1.00 0.00 O ATOM 1934 CB LYS B 567 56.119 21.702 13.769 1.00 0.00 C ATOM 1935 CG LYS B 567 54.664 22.088 14.097 1.00 0.00 C ATOM 1936 CD LYS B 567 53.667 21.322 13.203 1.00 0.00 C ATOM 1937 CE LYS B 567 53.828 21.765 11.748 1.00 0.00 C ATOM 1938 NZ LYS B 567 52.633 21.339 10.967 1.00 0.00 N ATOM 0 H LYS B 567 55.405 20.361 15.864 1.00 0.00 H new ATOM 0 HA LYS B 567 56.021 19.704 13.013 1.00 0.00 H new ATOM 0 HB2 LYS B 567 56.803 22.243 14.423 1.00 0.00 H new ATOM 0 HB3 LYS B 567 56.359 21.993 12.746 1.00 0.00 H new ATOM 0 HG2 LYS B 567 54.456 21.873 15.145 1.00 0.00 H new ATOM 0 HG3 LYS B 567 54.530 23.161 13.959 1.00 0.00 H new ATOM 0 HD2 LYS B 567 53.839 20.249 13.287 1.00 0.00 H new ATOM 0 HD3 LYS B 567 52.647 21.508 13.538 1.00 0.00 H new ATOM 0 HE2 LYS B 567 53.943 22.848 11.696 1.00 0.00 H new ATOM 0 HE3 LYS B 567 54.730 21.328 11.321 1.00 0.00 H new ATOM 0 HZ1 LYS B 567 52.387 22.078 10.278 1.00 0.00 H new ATOM 0 HZ2 LYS B 567 52.844 20.453 10.465 1.00 0.00 H new ATOM 0 HZ3 LYS B 567 51.832 21.188 11.613 1.00 0.00 H new ATOM 1952 N PHE B 568 58.660 20.098 13.325 1.00 0.00 N ATOM 1953 CA PHE B 568 60.079 19.760 13.608 1.00 0.00 C ATOM 1954 C PHE B 568 60.988 20.530 12.669 1.00 0.00 C ATOM 1955 O PHE B 568 60.810 20.526 11.467 1.00 0.00 O ATOM 1956 CB PHE B 568 60.290 18.238 13.395 1.00 0.00 C ATOM 1957 CG PHE B 568 60.258 17.507 14.725 1.00 0.00 C ATOM 1958 CD1 PHE B 568 59.185 16.663 15.040 1.00 0.00 C ATOM 1959 CD2 PHE B 568 61.304 17.678 15.639 1.00 0.00 C ATOM 1960 CE1 PHE B 568 59.160 15.990 16.268 1.00 0.00 C ATOM 1961 CE2 PHE B 568 61.279 17.005 16.867 1.00 0.00 C ATOM 1962 CZ PHE B 568 60.207 16.161 17.181 1.00 0.00 C ATOM 0 H PHE B 568 58.472 20.499 12.406 1.00 0.00 H new ATOM 0 HA PHE B 568 60.318 20.027 14.637 1.00 0.00 H new ATOM 0 HB2 PHE B 568 59.514 17.845 12.738 1.00 0.00 H new ATOM 0 HB3 PHE B 568 61.245 18.063 12.900 1.00 0.00 H new ATOM 0 HD1 PHE B 568 58.377 16.531 14.336 1.00 0.00 H new ATOM 0 HD2 PHE B 568 62.131 18.329 15.397 1.00 0.00 H new ATOM 0 HE1 PHE B 568 58.333 15.339 16.510 1.00 0.00 H new ATOM 0 HE2 PHE B 568 62.087 17.137 17.572 1.00 0.00 H new ATOM 0 HZ PHE B 568 60.188 15.642 18.128 1.00 0.00 H new ATOM 1972 N HIS B 569 62.001 21.144 13.203 1.00 0.00 N ATOM 1973 CA HIS B 569 62.961 21.855 12.331 1.00 0.00 C ATOM 1974 C HIS B 569 63.429 20.816 11.310 1.00 0.00 C ATOM 1975 O HIS B 569 64.016 19.826 11.700 1.00 0.00 O ATOM 1976 CB HIS B 569 64.176 22.294 13.161 1.00 0.00 C ATOM 1977 CG HIS B 569 64.086 23.723 13.586 1.00 0.00 C ATOM 1978 ND1 HIS B 569 64.220 24.064 14.910 1.00 0.00 N ATOM 1979 CD2 HIS B 569 63.970 24.900 12.892 1.00 0.00 C ATOM 1980 CE1 HIS B 569 64.202 25.403 14.986 1.00 0.00 C ATOM 1981 NE2 HIS B 569 64.046 25.967 13.782 1.00 0.00 N ATOM 0 H HIS B 569 62.203 21.183 14.202 1.00 0.00 H new ATOM 0 HA HIS B 569 62.511 22.732 11.866 1.00 0.00 H new ATOM 0 HB2 HIS B 569 64.259 21.659 14.043 1.00 0.00 H new ATOM 0 HB3 HIS B 569 65.084 22.148 12.577 1.00 0.00 H new ATOM 0 HD1 HIS B 569 64.316 23.417 15.693 1.00 0.00 H new ATOM 0 HD2 HIS B 569 63.840 24.985 11.823 1.00 0.00 H new ATOM 0 HE1 HIS B 569 64.301 25.959 15.907 1.00 0.00 H new ATOM 1988 N PRO B 570 63.197 20.987 10.039 1.00 0.00 N ATOM 1989 CA PRO B 570 63.664 19.969 9.078 1.00 0.00 C ATOM 1990 C PRO B 570 65.137 19.616 9.349 1.00 0.00 C ATOM 1991 O PRO B 570 65.675 18.673 8.809 1.00 0.00 O ATOM 1992 CB PRO B 570 63.458 20.686 7.737 1.00 0.00 C ATOM 1993 CG PRO B 570 62.424 21.798 7.979 1.00 0.00 C ATOM 1994 CD PRO B 570 62.478 22.154 9.468 1.00 0.00 C ATOM 0 HA PRO B 570 63.142 19.013 9.126 1.00 0.00 H new ATOM 0 HB2 PRO B 570 64.397 21.104 7.375 1.00 0.00 H new ATOM 0 HB3 PRO B 570 63.105 19.989 6.977 1.00 0.00 H new ATOM 0 HG2 PRO B 570 62.649 22.671 7.367 1.00 0.00 H new ATOM 0 HG3 PRO B 570 61.425 21.461 7.700 1.00 0.00 H new ATOM 0 HD2 PRO B 570 63.011 23.088 9.645 1.00 0.00 H new ATOM 0 HD3 PRO B 570 61.482 22.269 9.896 1.00 0.00 H new ATOM 2002 N GLU B 571 65.782 20.379 10.209 1.00 0.00 N ATOM 2003 CA GLU B 571 67.210 20.123 10.547 1.00 0.00 C ATOM 2004 C GLU B 571 67.320 19.321 11.853 1.00 0.00 C ATOM 2005 O GLU B 571 67.976 18.305 11.921 1.00 0.00 O ATOM 2006 CB GLU B 571 67.913 21.470 10.744 1.00 0.00 C ATOM 2007 CG GLU B 571 67.353 22.470 9.743 1.00 0.00 C ATOM 2008 CD GLU B 571 68.221 23.730 9.731 1.00 0.00 C ATOM 2009 OE1 GLU B 571 69.340 23.650 9.254 1.00 0.00 O ATOM 2010 OE2 GLU B 571 67.750 24.754 10.199 1.00 0.00 O ATOM 0 H GLU B 571 65.367 21.176 10.692 1.00 0.00 H new ATOM 0 HA GLU B 571 67.670 19.554 9.739 1.00 0.00 H new ATOM 0 HB2 GLU B 571 67.760 21.830 11.762 1.00 0.00 H new ATOM 0 HB3 GLU B 571 68.988 21.358 10.604 1.00 0.00 H new ATOM 0 HG2 GLU B 571 67.326 22.026 8.748 1.00 0.00 H new ATOM 0 HG3 GLU B 571 66.327 22.726 10.006 1.00 0.00 H new ATOM 2017 N HIS B 572 66.697 19.779 12.900 1.00 0.00 N ATOM 2018 CA HIS B 572 66.806 19.030 14.194 1.00 0.00 C ATOM 2019 C HIS B 572 66.262 17.613 14.016 1.00 0.00 C ATOM 2020 O HIS B 572 66.328 16.801 14.918 1.00 0.00 O ATOM 2021 CB HIS B 572 66.065 19.766 15.336 1.00 0.00 C ATOM 2022 CG HIS B 572 66.859 21.003 15.752 1.00 0.00 C ATOM 2023 ND1 HIS B 572 66.294 22.232 16.187 1.00 0.00 N ATOM 2024 CD2 HIS B 572 68.226 21.208 15.809 1.00 0.00 C ATOM 2025 CE1 HIS B 572 67.321 23.059 16.460 1.00 0.00 C ATOM 2026 NE2 HIS B 572 68.502 22.492 16.249 1.00 0.00 N ATOM 0 H HIS B 572 66.125 20.623 12.924 1.00 0.00 H new ATOM 0 HA HIS B 572 67.858 18.974 14.474 1.00 0.00 H new ATOM 0 HB2 HIS B 572 65.067 20.056 15.007 1.00 0.00 H new ATOM 0 HB3 HIS B 572 65.938 19.099 16.189 1.00 0.00 H new ATOM 0 HD2 HIS B 572 68.972 20.472 15.548 1.00 0.00 H new ATOM 0 HE1 HIS B 572 67.197 24.072 16.812 1.00 0.00 H new ATOM 0 HE2 HIS B 572 69.421 22.914 16.383 1.00 0.00 H new ATOM 2033 N PHE B 573 65.758 17.298 12.847 1.00 0.00 N ATOM 2034 CA PHE B 573 65.244 15.916 12.580 1.00 0.00 C ATOM 2035 C PHE B 573 65.911 15.412 11.291 1.00 0.00 C ATOM 2036 O PHE B 573 65.259 15.071 10.327 1.00 0.00 O ATOM 2037 CB PHE B 573 63.720 15.965 12.412 1.00 0.00 C ATOM 2038 CG PHE B 573 63.106 14.638 12.806 1.00 0.00 C ATOM 2039 CD1 PHE B 573 63.021 13.599 11.873 1.00 0.00 C ATOM 2040 CD2 PHE B 573 62.626 14.451 14.108 1.00 0.00 C ATOM 2041 CE1 PHE B 573 62.454 12.372 12.241 1.00 0.00 C ATOM 2042 CE2 PHE B 573 62.058 13.225 14.476 1.00 0.00 C ATOM 2043 CZ PHE B 573 61.973 12.186 13.542 1.00 0.00 C ATOM 0 H PHE B 573 65.680 17.943 12.061 1.00 0.00 H new ATOM 0 HA PHE B 573 65.476 15.244 13.406 1.00 0.00 H new ATOM 0 HB2 PHE B 573 63.305 16.763 13.028 1.00 0.00 H new ATOM 0 HB3 PHE B 573 63.468 16.197 11.377 1.00 0.00 H new ATOM 0 HD1 PHE B 573 63.392 13.743 10.869 1.00 0.00 H new ATOM 0 HD2 PHE B 573 62.694 15.253 14.829 1.00 0.00 H new ATOM 0 HE1 PHE B 573 62.388 11.570 11.521 1.00 0.00 H new ATOM 0 HE2 PHE B 573 61.686 13.081 15.480 1.00 0.00 H new ATOM 0 HZ PHE B 573 61.536 11.240 13.826 1.00 0.00 H new ATOM 2053 N VAL B 574 67.217 15.403 11.277 1.00 0.00 N ATOM 2054 CA VAL B 574 67.984 14.969 10.067 1.00 0.00 C ATOM 2055 C VAL B 574 68.379 13.481 10.152 1.00 0.00 C ATOM 2056 O VAL B 574 68.123 12.807 11.130 1.00 0.00 O ATOM 2057 CB VAL B 574 69.275 15.780 9.972 1.00 0.00 C ATOM 2058 CG1 VAL B 574 68.959 17.253 9.636 1.00 0.00 C ATOM 2059 CG2 VAL B 574 70.021 15.678 11.308 1.00 0.00 C ATOM 0 H VAL B 574 67.798 15.683 12.067 1.00 0.00 H new ATOM 0 HA VAL B 574 67.345 15.125 9.198 1.00 0.00 H new ATOM 0 HB VAL B 574 69.903 15.382 9.175 1.00 0.00 H new ATOM 0 HG11 VAL B 574 69.888 17.819 9.571 1.00 0.00 H new ATOM 0 HG12 VAL B 574 68.436 17.304 8.681 1.00 0.00 H new ATOM 0 HG13 VAL B 574 68.329 17.678 10.418 1.00 0.00 H new ATOM 0 HG21 VAL B 574 70.945 16.253 11.253 1.00 0.00 H new ATOM 0 HG22 VAL B 574 69.394 16.074 12.106 1.00 0.00 H new ATOM 0 HG23 VAL B 574 70.255 14.634 11.515 1.00 0.00 H new ATOM 2069 N CYS B 575 69.020 12.984 9.117 1.00 0.00 N ATOM 2070 CA CYS B 575 69.473 11.549 9.089 1.00 0.00 C ATOM 2071 C CYS B 575 70.780 11.445 9.852 1.00 0.00 C ATOM 2072 O CYS B 575 71.585 12.355 9.802 1.00 0.00 O ATOM 2073 CB CYS B 575 69.683 11.111 7.618 1.00 0.00 C ATOM 2074 SG CYS B 575 71.302 10.311 7.367 1.00 0.00 S ATOM 0 H CYS B 575 69.252 13.517 8.279 1.00 0.00 H new ATOM 0 HA CYS B 575 68.725 10.902 9.549 1.00 0.00 H new ATOM 0 HB2 CYS B 575 68.890 10.422 7.328 1.00 0.00 H new ATOM 0 HB3 CYS B 575 69.604 11.981 6.966 1.00 0.00 H new ATOM 0 HG CYS B 575 71.989 10.986 6.493 1.00 0.00 H new ATOM 2079 N ALA B 576 71.039 10.352 10.544 1.00 0.00 N ATOM 2080 CA ALA B 576 72.354 10.296 11.254 1.00 0.00 C ATOM 2081 C ALA B 576 73.389 9.549 10.387 1.00 0.00 C ATOM 2082 O ALA B 576 73.823 8.457 10.689 1.00 0.00 O ATOM 2083 CB ALA B 576 72.152 9.534 12.573 1.00 0.00 C ATOM 0 H ALA B 576 70.430 9.540 10.643 1.00 0.00 H new ATOM 0 HA ALA B 576 72.718 11.305 11.445 1.00 0.00 H new ATOM 0 HB1 ALA B 576 73.099 9.480 13.110 1.00 0.00 H new ATOM 0 HB2 ALA B 576 71.417 10.056 13.186 1.00 0.00 H new ATOM 0 HB3 ALA B 576 71.797 8.526 12.360 1.00 0.00 H new ATOM 2089 N PHE B 577 73.868 10.242 9.392 1.00 0.00 N ATOM 2090 CA PHE B 577 74.987 9.791 8.503 1.00 0.00 C ATOM 2091 C PHE B 577 75.571 11.119 8.066 1.00 0.00 C ATOM 2092 O PHE B 577 76.695 11.493 8.336 1.00 0.00 O ATOM 2093 CB PHE B 577 74.490 8.986 7.280 1.00 0.00 C ATOM 2094 CG PHE B 577 75.643 8.283 6.528 1.00 0.00 C ATOM 2095 CD1 PHE B 577 75.343 7.263 5.596 1.00 0.00 C ATOM 2096 CD2 PHE B 577 76.998 8.644 6.719 1.00 0.00 C ATOM 2097 CE1 PHE B 577 76.362 6.631 4.880 1.00 0.00 C ATOM 2098 CE2 PHE B 577 78.008 7.993 5.997 1.00 0.00 C ATOM 2099 CZ PHE B 577 77.688 6.993 5.081 1.00 0.00 C ATOM 0 H PHE B 577 73.506 11.162 9.142 1.00 0.00 H new ATOM 0 HA PHE B 577 75.686 9.119 9.001 1.00 0.00 H new ATOM 0 HB2 PHE B 577 73.767 8.240 7.609 1.00 0.00 H new ATOM 0 HB3 PHE B 577 73.969 9.655 6.596 1.00 0.00 H new ATOM 0 HD1 PHE B 577 74.316 6.970 5.436 1.00 0.00 H new ATOM 0 HD2 PHE B 577 77.254 9.422 7.422 1.00 0.00 H new ATOM 0 HE1 PHE B 577 76.118 5.857 4.167 1.00 0.00 H new ATOM 0 HE2 PHE B 577 79.041 8.268 6.152 1.00 0.00 H new ATOM 0 HZ PHE B 577 78.472 6.499 4.527 1.00 0.00 H new ATOM 2109 N CYS B 578 74.692 11.845 7.422 1.00 0.00 N ATOM 2110 CA CYS B 578 74.950 13.215 6.934 1.00 0.00 C ATOM 2111 C CYS B 578 73.894 14.080 7.622 1.00 0.00 C ATOM 2112 O CYS B 578 72.840 14.346 7.089 1.00 0.00 O ATOM 2113 CB CYS B 578 74.754 13.258 5.418 1.00 0.00 C ATOM 2114 SG CYS B 578 73.092 12.652 5.003 1.00 0.00 S ATOM 0 H CYS B 578 73.752 11.511 7.208 1.00 0.00 H new ATOM 0 HA CYS B 578 75.963 13.555 7.149 1.00 0.00 H new ATOM 0 HB2 CYS B 578 74.883 14.277 5.053 1.00 0.00 H new ATOM 0 HB3 CYS B 578 75.509 12.645 4.926 1.00 0.00 H new ATOM 0 HG CYS B 578 72.222 13.184 5.810 1.00 0.00 H new ATOM 2119 N LEU B 579 74.152 14.444 8.837 1.00 0.00 N ATOM 2120 CA LEU B 579 73.174 15.224 9.646 1.00 0.00 C ATOM 2121 C LEU B 579 72.690 16.506 8.948 1.00 0.00 C ATOM 2122 O LEU B 579 72.169 17.382 9.609 1.00 0.00 O ATOM 2123 CB LEU B 579 73.842 15.590 10.982 1.00 0.00 C ATOM 2124 CG LEU B 579 74.177 14.295 11.789 1.00 0.00 C ATOM 2125 CD1 LEU B 579 75.683 13.999 11.722 1.00 0.00 C ATOM 2126 CD2 LEU B 579 73.768 14.462 13.264 1.00 0.00 C ATOM 0 H LEU B 579 75.023 14.230 9.322 1.00 0.00 H new ATOM 0 HA LEU B 579 72.292 14.601 9.792 1.00 0.00 H new ATOM 0 HB2 LEU B 579 74.753 16.159 10.798 1.00 0.00 H new ATOM 0 HB3 LEU B 579 73.180 16.230 11.565 1.00 0.00 H new ATOM 0 HG LEU B 579 73.621 13.468 11.347 1.00 0.00 H new ATOM 0 HD11 LEU B 579 75.901 13.094 12.289 1.00 0.00 H new ATOM 0 HD12 LEU B 579 75.980 13.857 10.683 1.00 0.00 H new ATOM 0 HD13 LEU B 579 76.238 14.836 12.147 1.00 0.00 H new ATOM 0 HD21 LEU B 579 74.008 13.552 13.813 1.00 0.00 H new ATOM 0 HD22 LEU B 579 74.310 15.302 13.699 1.00 0.00 H new ATOM 0 HD23 LEU B 579 72.696 14.651 13.325 1.00 0.00 H new ATOM 2138 N LYS B 580 72.855 16.680 7.648 1.00 0.00 N ATOM 2139 CA LYS B 580 72.379 17.978 7.058 1.00 0.00 C ATOM 2140 C LYS B 580 70.886 17.941 6.677 1.00 0.00 C ATOM 2141 O LYS B 580 70.200 18.929 6.851 1.00 0.00 O ATOM 2142 CB LYS B 580 73.249 18.324 5.811 1.00 0.00 C ATOM 2143 CG LYS B 580 72.650 17.804 4.478 1.00 0.00 C ATOM 2144 CD LYS B 580 72.728 16.272 4.426 1.00 0.00 C ATOM 2145 CE LYS B 580 71.657 15.728 3.478 1.00 0.00 C ATOM 2146 NZ LYS B 580 71.496 16.656 2.323 1.00 0.00 N ATOM 0 H LYS B 580 73.277 16.014 7.001 1.00 0.00 H new ATOM 0 HA LYS B 580 72.488 18.751 7.818 1.00 0.00 H new ATOM 0 HB2 LYS B 580 73.368 19.406 5.749 1.00 0.00 H new ATOM 0 HB3 LYS B 580 74.245 17.900 5.943 1.00 0.00 H new ATOM 0 HG2 LYS B 580 71.613 18.126 4.386 1.00 0.00 H new ATOM 0 HG3 LYS B 580 73.192 18.232 3.635 1.00 0.00 H new ATOM 0 HD2 LYS B 580 73.717 15.961 4.089 1.00 0.00 H new ATOM 0 HD3 LYS B 580 72.587 15.858 5.424 1.00 0.00 H new ATOM 0 HE2 LYS B 580 71.939 14.736 3.124 1.00 0.00 H new ATOM 0 HE3 LYS B 580 70.710 15.620 4.006 1.00 0.00 H new ATOM 0 HZ1 LYS B 580 71.107 16.135 1.511 1.00 0.00 H new ATOM 0 HZ2 LYS B 580 70.847 17.425 2.584 1.00 0.00 H new ATOM 0 HZ3 LYS B 580 72.421 17.056 2.067 1.00 0.00 H new ATOM 2160 N GLN B 581 70.337 16.849 6.180 1.00 0.00 N ATOM 2161 CA GLN B 581 68.870 16.898 5.855 1.00 0.00 C ATOM 2162 C GLN B 581 68.180 15.535 5.764 1.00 0.00 C ATOM 2163 O GLN B 581 68.680 14.591 5.185 1.00 0.00 O ATOM 2164 CB GLN B 581 68.640 17.682 4.567 1.00 0.00 C ATOM 2165 CG GLN B 581 67.155 18.049 4.445 1.00 0.00 C ATOM 2166 CD GLN B 581 66.818 19.178 5.413 1.00 0.00 C ATOM 2167 OE1 GLN B 581 66.722 20.324 5.020 1.00 0.00 O ATOM 2168 NE2 GLN B 581 66.634 18.902 6.670 1.00 0.00 N ATOM 0 H GLN B 581 70.814 15.967 5.993 1.00 0.00 H new ATOM 0 HA GLN B 581 68.408 17.403 6.704 1.00 0.00 H new ATOM 0 HB2 GLN B 581 69.249 18.586 4.566 1.00 0.00 H new ATOM 0 HB3 GLN B 581 68.950 17.088 3.707 1.00 0.00 H new ATOM 0 HG2 GLN B 581 66.930 18.355 3.423 1.00 0.00 H new ATOM 0 HG3 GLN B 581 66.537 17.177 4.660 1.00 0.00 H new ATOM 0 HE21 GLN B 581 66.715 17.940 6.998 1.00 0.00 H new ATOM 0 HE22 GLN B 581 66.409 19.648 7.328 1.00 0.00 H new ATOM 2177 N LEU B 582 66.980 15.483 6.280 1.00 0.00 N ATOM 2178 CA LEU B 582 66.132 14.257 6.198 1.00 0.00 C ATOM 2179 C LEU B 582 64.686 14.695 5.921 1.00 0.00 C ATOM 2180 O LEU B 582 64.368 15.865 5.979 1.00 0.00 O ATOM 2181 CB LEU B 582 66.204 13.526 7.526 1.00 0.00 C ATOM 2182 CG LEU B 582 65.656 12.095 7.432 1.00 0.00 C ATOM 2183 CD1 LEU B 582 66.463 11.268 6.406 1.00 0.00 C ATOM 2184 CD2 LEU B 582 65.744 11.453 8.827 1.00 0.00 C ATOM 0 H LEU B 582 66.540 16.263 6.769 1.00 0.00 H new ATOM 0 HA LEU B 582 66.477 13.595 5.404 1.00 0.00 H new ATOM 0 HB2 LEU B 582 67.239 13.495 7.866 1.00 0.00 H new ATOM 0 HB3 LEU B 582 65.639 14.081 8.275 1.00 0.00 H new ATOM 0 HG LEU B 582 64.620 12.118 7.095 1.00 0.00 H new ATOM 0 HD11 LEU B 582 66.059 10.257 6.355 1.00 0.00 H new ATOM 0 HD12 LEU B 582 66.393 11.737 5.425 1.00 0.00 H new ATOM 0 HD13 LEU B 582 67.508 11.226 6.714 1.00 0.00 H new ATOM 0 HD21 LEU B 582 65.359 10.434 8.784 1.00 0.00 H new ATOM 0 HD22 LEU B 582 66.784 11.435 9.154 1.00 0.00 H new ATOM 0 HD23 LEU B 582 65.152 12.035 9.533 1.00 0.00 H new ATOM 2196 N ASN B 583 63.811 13.772 5.624 1.00 0.00 N ATOM 2197 CA ASN B 583 62.387 14.142 5.344 1.00 0.00 C ATOM 2198 C ASN B 583 61.477 12.990 5.773 1.00 0.00 C ATOM 2199 O ASN B 583 61.734 11.841 5.481 1.00 0.00 O ATOM 2200 CB ASN B 583 62.210 14.400 3.837 1.00 0.00 C ATOM 2201 CG ASN B 583 62.614 15.831 3.492 1.00 0.00 C ATOM 2202 OD1 ASN B 583 62.846 16.645 4.363 1.00 0.00 O ATOM 2203 ND2 ASN B 583 62.700 16.173 2.240 1.00 0.00 N ATOM 0 H ASN B 583 64.018 12.775 5.562 1.00 0.00 H new ATOM 0 HA ASN B 583 62.126 15.044 5.898 1.00 0.00 H new ATOM 0 HB2 ASN B 583 62.817 13.696 3.267 1.00 0.00 H new ATOM 0 HB3 ASN B 583 61.172 14.229 3.552 1.00 0.00 H new ATOM 0 HD21 ASN B 583 62.963 17.126 1.989 1.00 0.00 H new ATOM 0 HD22 ASN B 583 62.505 15.488 1.510 1.00 0.00 H new ATOM 2210 N LYS B 584 60.409 13.296 6.455 1.00 0.00 N ATOM 2211 CA LYS B 584 59.473 12.235 6.902 1.00 0.00 C ATOM 2212 C LYS B 584 59.080 11.364 5.713 1.00 0.00 C ATOM 2213 O LYS B 584 58.602 10.258 5.865 1.00 0.00 O ATOM 2214 CB LYS B 584 58.220 12.904 7.454 1.00 0.00 C ATOM 2215 CG LYS B 584 57.737 13.978 6.456 1.00 0.00 C ATOM 2216 CD LYS B 584 56.236 14.197 6.622 1.00 0.00 C ATOM 2217 CE LYS B 584 55.916 14.507 8.084 1.00 0.00 C ATOM 2218 NZ LYS B 584 54.546 15.080 8.175 1.00 0.00 N ATOM 0 H LYS B 584 60.145 14.244 6.723 1.00 0.00 H new ATOM 0 HA LYS B 584 59.949 11.617 7.663 1.00 0.00 H new ATOM 0 HB2 LYS B 584 57.438 12.162 7.615 1.00 0.00 H new ATOM 0 HB3 LYS B 584 58.432 13.359 8.422 1.00 0.00 H new ATOM 0 HG2 LYS B 584 58.272 14.913 6.626 1.00 0.00 H new ATOM 0 HG3 LYS B 584 57.958 13.665 5.435 1.00 0.00 H new ATOM 0 HD2 LYS B 584 55.907 15.019 5.986 1.00 0.00 H new ATOM 0 HD3 LYS B 584 55.692 13.308 6.302 1.00 0.00 H new ATOM 0 HE2 LYS B 584 55.984 13.599 8.684 1.00 0.00 H new ATOM 0 HE3 LYS B 584 56.645 15.210 8.487 1.00 0.00 H new ATOM 0 HZ1 LYS B 584 54.192 14.980 9.148 1.00 0.00 H new ATOM 0 HZ2 LYS B 584 54.573 16.088 7.919 1.00 0.00 H new ATOM 0 HZ3 LYS B 584 53.914 14.574 7.522 1.00 0.00 H new ATOM 2232 N GLY B 585 59.263 11.869 4.529 1.00 0.00 N ATOM 2233 CA GLY B 585 58.893 11.096 3.315 1.00 0.00 C ATOM 2234 C GLY B 585 60.071 10.238 2.895 1.00 0.00 C ATOM 2235 O GLY B 585 59.933 9.287 2.151 1.00 0.00 O ATOM 0 H GLY B 585 59.657 12.792 4.348 1.00 0.00 H new ATOM 0 HA2 GLY B 585 58.025 10.469 3.518 1.00 0.00 H new ATOM 0 HA3 GLY B 585 58.615 11.774 2.508 1.00 0.00 H new ATOM 2239 N THR B 586 61.232 10.574 3.374 1.00 0.00 N ATOM 2240 CA THR B 586 62.457 9.798 3.026 1.00 0.00 C ATOM 2241 C THR B 586 63.254 9.538 4.297 1.00 0.00 C ATOM 2242 O THR B 586 64.454 9.351 4.261 1.00 0.00 O ATOM 2243 CB THR B 586 63.305 10.606 2.040 1.00 0.00 C ATOM 2244 OG1 THR B 586 64.167 11.473 2.762 1.00 0.00 O ATOM 2245 CG2 THR B 586 62.384 11.431 1.137 1.00 0.00 C ATOM 0 H THR B 586 61.390 11.363 4.000 1.00 0.00 H new ATOM 0 HA THR B 586 62.180 8.849 2.567 1.00 0.00 H new ATOM 0 HB THR B 586 63.902 9.930 1.428 1.00 0.00 H new ATOM 0 HG1 THR B 586 64.819 10.942 3.265 1.00 0.00 H new ATOM 0 HG21 THR B 586 62.985 12.007 0.434 1.00 0.00 H new ATOM 0 HG22 THR B 586 61.721 10.764 0.586 1.00 0.00 H new ATOM 0 HG23 THR B 586 61.789 12.110 1.748 1.00 0.00 H new ATOM 2253 N PHE B 587 62.597 9.525 5.429 1.00 0.00 N ATOM 2254 CA PHE B 587 63.333 9.275 6.711 1.00 0.00 C ATOM 2255 C PHE B 587 63.362 7.777 7.021 1.00 0.00 C ATOM 2256 O PHE B 587 62.373 7.163 7.367 1.00 0.00 O ATOM 2257 CB PHE B 587 62.690 10.051 7.875 1.00 0.00 C ATOM 2258 CG PHE B 587 61.474 9.327 8.441 1.00 0.00 C ATOM 2259 CD1 PHE B 587 61.385 9.088 9.821 1.00 0.00 C ATOM 2260 CD2 PHE B 587 60.442 8.898 7.594 1.00 0.00 C ATOM 2261 CE1 PHE B 587 60.270 8.425 10.349 1.00 0.00 C ATOM 2262 CE2 PHE B 587 59.328 8.235 8.125 1.00 0.00 C ATOM 2263 CZ PHE B 587 59.242 7.999 9.501 1.00 0.00 C ATOM 0 H PHE B 587 61.593 9.675 5.524 1.00 0.00 H new ATOM 0 HA PHE B 587 64.357 9.630 6.592 1.00 0.00 H new ATOM 0 HB2 PHE B 587 63.427 10.195 8.665 1.00 0.00 H new ATOM 0 HB3 PHE B 587 62.394 11.042 7.531 1.00 0.00 H new ATOM 0 HD1 PHE B 587 62.178 9.416 10.477 1.00 0.00 H new ATOM 0 HD2 PHE B 587 60.506 9.079 6.531 1.00 0.00 H new ATOM 0 HE1 PHE B 587 60.204 8.242 11.411 1.00 0.00 H new ATOM 0 HE2 PHE B 587 58.534 7.906 7.471 1.00 0.00 H new ATOM 0 HZ PHE B 587 58.382 7.488 9.909 1.00 0.00 H new ATOM 2273 N LYS B 588 64.515 7.194 6.892 1.00 0.00 N ATOM 2274 CA LYS B 588 64.692 5.742 7.167 1.00 0.00 C ATOM 2275 C LYS B 588 65.404 5.619 8.521 1.00 0.00 C ATOM 2276 O LYS B 588 65.867 6.597 9.069 1.00 0.00 O ATOM 2277 CB LYS B 588 65.540 5.155 6.012 1.00 0.00 C ATOM 2278 CG LYS B 588 64.962 3.838 5.431 1.00 0.00 C ATOM 2279 CD LYS B 588 63.449 3.891 5.090 1.00 0.00 C ATOM 2280 CE LYS B 588 63.009 5.264 4.560 1.00 0.00 C ATOM 2281 NZ LYS B 588 61.873 5.079 3.612 1.00 0.00 N ATOM 0 H LYS B 588 65.366 7.674 6.600 1.00 0.00 H new ATOM 0 HA LYS B 588 63.750 5.197 7.218 1.00 0.00 H new ATOM 0 HB2 LYS B 588 65.614 5.894 5.214 1.00 0.00 H new ATOM 0 HB3 LYS B 588 66.552 4.971 6.372 1.00 0.00 H new ATOM 0 HG2 LYS B 588 65.516 3.581 4.528 1.00 0.00 H new ATOM 0 HG3 LYS B 588 65.131 3.035 6.148 1.00 0.00 H new ATOM 0 HD2 LYS B 588 63.222 3.129 4.345 1.00 0.00 H new ATOM 0 HD3 LYS B 588 62.871 3.648 5.982 1.00 0.00 H new ATOM 0 HE2 LYS B 588 62.708 5.908 5.387 1.00 0.00 H new ATOM 0 HE3 LYS B 588 63.841 5.758 4.058 1.00 0.00 H new ATOM 0 HZ1 LYS B 588 61.570 6.005 3.249 1.00 0.00 H new ATOM 0 HZ2 LYS B 588 62.177 4.479 2.819 1.00 0.00 H new ATOM 0 HZ3 LYS B 588 61.079 4.624 4.106 1.00 0.00 H new ATOM 2295 N GLU B 589 65.478 4.443 9.083 1.00 0.00 N ATOM 2296 CA GLU B 589 66.143 4.308 10.415 1.00 0.00 C ATOM 2297 C GLU B 589 66.729 2.911 10.588 1.00 0.00 C ATOM 2298 O GLU B 589 66.313 1.946 9.977 1.00 0.00 O ATOM 2299 CB GLU B 589 65.117 4.599 11.527 1.00 0.00 C ATOM 2300 CG GLU B 589 65.558 3.992 12.869 1.00 0.00 C ATOM 2301 CD GLU B 589 64.695 4.568 13.992 1.00 0.00 C ATOM 2302 OE1 GLU B 589 64.000 3.798 14.634 1.00 0.00 O ATOM 2303 OE2 GLU B 589 64.745 5.771 14.193 1.00 0.00 O ATOM 0 H GLU B 589 65.112 3.578 8.685 1.00 0.00 H new ATOM 0 HA GLU B 589 66.961 5.025 10.478 1.00 0.00 H new ATOM 0 HB2 GLU B 589 64.992 5.676 11.637 1.00 0.00 H new ATOM 0 HB3 GLU B 589 64.146 4.193 11.244 1.00 0.00 H new ATOM 0 HG2 GLU B 589 65.460 2.907 12.840 1.00 0.00 H new ATOM 0 HG3 GLU B 589 66.609 4.213 13.053 1.00 0.00 H new ATOM 2310 N GLN B 590 67.687 2.828 11.454 1.00 0.00 N ATOM 2311 CA GLN B 590 68.353 1.547 11.766 1.00 0.00 C ATOM 2312 C GLN B 590 68.920 1.681 13.176 1.00 0.00 C ATOM 2313 O GLN B 590 69.330 2.750 13.581 1.00 0.00 O ATOM 2314 CB GLN B 590 69.490 1.276 10.766 1.00 0.00 C ATOM 2315 CG GLN B 590 69.807 -0.234 10.720 1.00 0.00 C ATOM 2316 CD GLN B 590 68.961 -0.921 9.643 1.00 0.00 C ATOM 2317 OE1 GLN B 590 67.774 -0.683 9.541 1.00 0.00 O ATOM 2318 NE2 GLN B 590 69.531 -1.771 8.830 1.00 0.00 N ATOM 0 H GLN B 590 68.048 3.626 11.977 1.00 0.00 H new ATOM 0 HA GLN B 590 67.650 0.717 11.699 1.00 0.00 H new ATOM 0 HB2 GLN B 590 69.204 1.626 9.774 1.00 0.00 H new ATOM 0 HB3 GLN B 590 70.380 1.834 11.056 1.00 0.00 H new ATOM 0 HG2 GLN B 590 70.866 -0.384 10.511 1.00 0.00 H new ATOM 0 HG3 GLN B 590 69.607 -0.685 11.692 1.00 0.00 H new ATOM 0 HE21 GLN B 590 70.528 -1.970 8.917 1.00 0.00 H new ATOM 0 HE22 GLN B 590 68.979 -2.235 8.109 1.00 0.00 H new ATOM 2327 N ASN B 591 68.950 0.624 13.930 1.00 0.00 N ATOM 2328 CA ASN B 591 69.488 0.706 15.319 1.00 0.00 C ATOM 2329 C ASN B 591 68.917 1.950 16.031 1.00 0.00 C ATOM 2330 O ASN B 591 69.496 2.440 16.975 1.00 0.00 O ATOM 2331 CB ASN B 591 71.040 0.748 15.303 1.00 0.00 C ATOM 2332 CG ASN B 591 71.552 1.223 13.950 1.00 0.00 C ATOM 2333 OD1 ASN B 591 72.195 2.249 13.849 1.00 0.00 O ATOM 2334 ND2 ASN B 591 71.289 0.509 12.902 1.00 0.00 N ATOM 0 H ASN B 591 68.624 -0.300 13.647 1.00 0.00 H new ATOM 0 HA ASN B 591 69.181 -0.184 15.868 1.00 0.00 H new ATOM 0 HB2 ASN B 591 71.399 1.414 16.087 1.00 0.00 H new ATOM 0 HB3 ASN B 591 71.438 -0.243 15.520 1.00 0.00 H new ATOM 0 HD21 ASN B 591 71.622 0.807 11.985 1.00 0.00 H new ATOM 0 HD22 ASN B 591 70.749 -0.351 12.993 1.00 0.00 H new ATOM 2341 N ASP B 592 67.774 2.438 15.586 1.00 0.00 N ATOM 2342 CA ASP B 592 67.117 3.633 16.228 1.00 0.00 C ATOM 2343 C ASP B 592 67.729 4.934 15.706 1.00 0.00 C ATOM 2344 O ASP B 592 67.278 6.016 16.029 1.00 0.00 O ATOM 2345 CB ASP B 592 67.280 3.588 17.753 1.00 0.00 C ATOM 2346 CG ASP B 592 67.154 2.146 18.252 1.00 0.00 C ATOM 2347 OD1 ASP B 592 68.077 1.682 18.901 1.00 0.00 O ATOM 2348 OD2 ASP B 592 66.137 1.532 17.976 1.00 0.00 O ATOM 0 H ASP B 592 67.262 2.052 14.793 1.00 0.00 H new ATOM 0 HA ASP B 592 66.058 3.601 15.973 1.00 0.00 H new ATOM 0 HB2 ASP B 592 68.251 3.995 18.035 1.00 0.00 H new ATOM 0 HB3 ASP B 592 66.522 4.213 18.226 1.00 0.00 H new ATOM 2353 N LYS B 593 68.755 4.843 14.921 1.00 0.00 N ATOM 2354 CA LYS B 593 69.410 6.064 14.394 1.00 0.00 C ATOM 2355 C LYS B 593 68.760 6.464 13.054 1.00 0.00 C ATOM 2356 O LYS B 593 68.811 5.700 12.110 1.00 0.00 O ATOM 2357 CB LYS B 593 70.875 5.737 14.151 1.00 0.00 C ATOM 2358 CG LYS B 593 71.503 5.138 15.419 1.00 0.00 C ATOM 2359 CD LYS B 593 73.019 5.371 15.398 1.00 0.00 C ATOM 2360 CE LYS B 593 73.659 4.798 16.669 1.00 0.00 C ATOM 2361 NZ LYS B 593 73.506 5.770 17.789 1.00 0.00 N ATOM 0 H LYS B 593 69.174 3.964 14.617 1.00 0.00 H new ATOM 0 HA LYS B 593 69.305 6.885 15.103 1.00 0.00 H new ATOM 0 HB2 LYS B 593 70.965 5.033 13.324 1.00 0.00 H new ATOM 0 HB3 LYS B 593 71.413 6.639 13.861 1.00 0.00 H new ATOM 0 HG2 LYS B 593 71.066 5.597 16.306 1.00 0.00 H new ATOM 0 HG3 LYS B 593 71.289 4.071 15.474 1.00 0.00 H new ATOM 0 HD2 LYS B 593 73.455 4.899 14.518 1.00 0.00 H new ATOM 0 HD3 LYS B 593 73.230 6.438 15.325 1.00 0.00 H new ATOM 0 HE2 LYS B 593 73.188 3.850 16.930 1.00 0.00 H new ATOM 0 HE3 LYS B 593 74.715 4.592 16.495 1.00 0.00 H new ATOM 0 HZ1 LYS B 593 73.941 5.379 18.649 1.00 0.00 H new ATOM 0 HZ2 LYS B 593 73.975 6.664 17.539 1.00 0.00 H new ATOM 0 HZ3 LYS B 593 72.495 5.946 17.961 1.00 0.00 H new ATOM 2375 N PRO B 594 68.161 7.636 12.934 1.00 0.00 N ATOM 2376 CA PRO B 594 67.542 8.032 11.637 1.00 0.00 C ATOM 2377 C PRO B 594 68.494 7.823 10.449 1.00 0.00 C ATOM 2378 O PRO B 594 69.682 7.633 10.621 1.00 0.00 O ATOM 2379 CB PRO B 594 67.246 9.517 11.874 1.00 0.00 C ATOM 2380 CG PRO B 594 67.184 9.737 13.386 1.00 0.00 C ATOM 2381 CD PRO B 594 68.041 8.641 14.038 1.00 0.00 C ATOM 0 HA PRO B 594 66.665 7.441 11.375 1.00 0.00 H new ATOM 0 HB2 PRO B 594 68.022 10.139 11.427 1.00 0.00 H new ATOM 0 HB3 PRO B 594 66.303 9.799 11.406 1.00 0.00 H new ATOM 0 HG2 PRO B 594 67.560 10.726 13.647 1.00 0.00 H new ATOM 0 HG3 PRO B 594 66.155 9.683 13.741 1.00 0.00 H new ATOM 0 HD2 PRO B 594 69.014 9.018 14.353 1.00 0.00 H new ATOM 0 HD3 PRO B 594 67.561 8.220 14.922 1.00 0.00 H new ATOM 2389 N TYR B 595 67.979 7.845 9.250 1.00 0.00 N ATOM 2390 CA TYR B 595 68.858 7.633 8.060 1.00 0.00 C ATOM 2391 C TYR B 595 68.077 7.929 6.777 1.00 0.00 C ATOM 2392 O TYR B 595 66.953 7.501 6.622 1.00 0.00 O ATOM 2393 CB TYR B 595 69.283 6.151 7.983 1.00 0.00 C ATOM 2394 CG TYR B 595 70.471 5.844 8.870 1.00 0.00 C ATOM 2395 CD1 TYR B 595 71.696 6.473 8.639 1.00 0.00 C ATOM 2396 CD2 TYR B 595 70.359 4.891 9.894 1.00 0.00 C ATOM 2397 CE1 TYR B 595 72.810 6.154 9.429 1.00 0.00 C ATOM 2398 CE2 TYR B 595 71.471 4.579 10.684 1.00 0.00 C ATOM 2399 CZ TYR B 595 72.695 5.209 10.451 1.00 0.00 C ATOM 2400 OH TYR B 595 73.792 4.896 11.228 1.00 0.00 O ATOM 0 H TYR B 595 66.993 8.000 9.041 1.00 0.00 H new ATOM 0 HA TYR B 595 69.723 8.290 8.156 1.00 0.00 H new ATOM 0 HB2 TYR B 595 68.443 5.520 8.274 1.00 0.00 H new ATOM 0 HB3 TYR B 595 69.529 5.900 6.951 1.00 0.00 H new ATOM 0 HD1 TYR B 595 71.786 7.206 7.851 1.00 0.00 H new ATOM 0 HD2 TYR B 595 69.415 4.398 10.072 1.00 0.00 H new ATOM 0 HE1 TYR B 595 73.757 6.639 9.247 1.00 0.00 H new ATOM 0 HE2 TYR B 595 71.382 3.850 11.475 1.00 0.00 H new ATOM 0 HH TYR B 595 73.540 4.222 11.893 1.00 0.00 H new ATOM 2410 N CYS B 596 68.685 8.567 5.817 1.00 0.00 N ATOM 2411 CA CYS B 596 67.967 8.757 4.532 1.00 0.00 C ATOM 2412 C CYS B 596 67.901 7.370 3.920 1.00 0.00 C ATOM 2413 O CYS B 596 68.735 6.537 4.207 1.00 0.00 O ATOM 2414 CB CYS B 596 68.736 9.696 3.579 1.00 0.00 C ATOM 2415 SG CYS B 596 69.453 11.086 4.490 1.00 0.00 S ATOM 0 H CYS B 596 69.627 8.956 5.865 1.00 0.00 H new ATOM 0 HA CYS B 596 66.988 9.209 4.694 1.00 0.00 H new ATOM 0 HB2 CYS B 596 69.526 9.141 3.072 1.00 0.00 H new ATOM 0 HB3 CYS B 596 68.063 10.069 2.807 1.00 0.00 H new ATOM 0 HG CYS B 596 70.271 10.636 5.394 1.00 0.00 H new ATOM 2420 N GLN B 597 66.959 7.083 3.084 1.00 0.00 N ATOM 2421 CA GLN B 597 66.946 5.726 2.500 1.00 0.00 C ATOM 2422 C GLN B 597 68.295 5.550 1.795 1.00 0.00 C ATOM 2423 O GLN B 597 69.047 4.641 2.078 1.00 0.00 O ATOM 2424 CB GLN B 597 65.737 5.601 1.543 1.00 0.00 C ATOM 2425 CG GLN B 597 65.990 4.599 0.402 1.00 0.00 C ATOM 2426 CD GLN B 597 65.663 3.185 0.874 1.00 0.00 C ATOM 2427 OE1 GLN B 597 65.377 2.311 0.079 1.00 0.00 O ATOM 2428 NE2 GLN B 597 65.696 2.927 2.146 1.00 0.00 N ATOM 0 H GLN B 597 66.213 7.711 2.784 1.00 0.00 H new ATOM 0 HA GLN B 597 66.829 4.939 3.245 1.00 0.00 H new ATOM 0 HB2 GLN B 597 64.860 5.288 2.110 1.00 0.00 H new ATOM 0 HB3 GLN B 597 65.510 6.579 1.119 1.00 0.00 H new ATOM 0 HG2 GLN B 597 65.376 4.855 -0.462 1.00 0.00 H new ATOM 0 HG3 GLN B 597 67.030 4.654 0.082 1.00 0.00 H new ATOM 0 HE21 GLN B 597 65.936 3.663 2.810 1.00 0.00 H new ATOM 0 HE22 GLN B 597 65.481 1.988 2.482 1.00 0.00 H new ATOM 2437 N ASN B 598 68.611 6.440 0.900 1.00 0.00 N ATOM 2438 CA ASN B 598 69.911 6.359 0.185 1.00 0.00 C ATOM 2439 C ASN B 598 71.031 6.162 1.210 1.00 0.00 C ATOM 2440 O ASN B 598 72.047 5.559 0.930 1.00 0.00 O ATOM 2441 CB ASN B 598 70.135 7.661 -0.602 1.00 0.00 C ATOM 2442 CG ASN B 598 68.795 8.213 -1.067 1.00 0.00 C ATOM 2443 OD1 ASN B 598 68.463 9.353 -0.807 1.00 0.00 O ATOM 2444 ND2 ASN B 598 68.008 7.443 -1.749 1.00 0.00 N ATOM 0 H ASN B 598 68.019 7.226 0.631 1.00 0.00 H new ATOM 0 HA ASN B 598 69.908 5.519 -0.510 1.00 0.00 H new ATOM 0 HB2 ASN B 598 70.644 8.394 0.024 1.00 0.00 H new ATOM 0 HB3 ASN B 598 70.780 7.473 -1.460 1.00 0.00 H new ATOM 0 HD21 ASN B 598 67.105 7.793 -2.070 1.00 0.00 H new ATOM 0 HD22 ASN B 598 68.291 6.487 -1.965 1.00 0.00 H new ATOM 2451 N CYS B 599 70.843 6.663 2.400 1.00 0.00 N ATOM 2452 CA CYS B 599 71.880 6.505 3.450 1.00 0.00 C ATOM 2453 C CYS B 599 71.752 5.109 4.060 1.00 0.00 C ATOM 2454 O CYS B 599 72.678 4.339 4.033 1.00 0.00 O ATOM 2455 CB CYS B 599 71.678 7.577 4.533 1.00 0.00 C ATOM 2456 SG CYS B 599 72.590 9.072 4.075 1.00 0.00 S ATOM 0 H CYS B 599 70.010 7.177 2.688 1.00 0.00 H new ATOM 0 HA CYS B 599 72.874 6.624 3.019 1.00 0.00 H new ATOM 0 HB2 CYS B 599 70.618 7.804 4.643 1.00 0.00 H new ATOM 0 HB3 CYS B 599 72.026 7.206 5.497 1.00 0.00 H new ATOM 0 HG CYS B 599 71.797 10.100 4.139 1.00 0.00 H new ATOM 2461 N PHE B 600 70.607 4.791 4.605 1.00 0.00 N ATOM 2462 CA PHE B 600 70.391 3.452 5.230 1.00 0.00 C ATOM 2463 C PHE B 600 70.585 2.343 4.189 1.00 0.00 C ATOM 2464 O PHE B 600 71.404 1.463 4.352 1.00 0.00 O ATOM 2465 CB PHE B 600 68.952 3.421 5.794 1.00 0.00 C ATOM 2466 CG PHE B 600 68.306 2.057 5.626 1.00 0.00 C ATOM 2467 CD1 PHE B 600 68.453 1.077 6.614 1.00 0.00 C ATOM 2468 CD2 PHE B 600 67.558 1.783 4.477 1.00 0.00 C ATOM 2469 CE1 PHE B 600 67.850 -0.176 6.451 1.00 0.00 C ATOM 2470 CE2 PHE B 600 66.956 0.530 4.313 1.00 0.00 C ATOM 2471 CZ PHE B 600 67.101 -0.450 5.301 1.00 0.00 C ATOM 0 H PHE B 600 69.799 5.413 4.644 1.00 0.00 H new ATOM 0 HA PHE B 600 71.112 3.284 6.030 1.00 0.00 H new ATOM 0 HB2 PHE B 600 68.971 3.686 6.851 1.00 0.00 H new ATOM 0 HB3 PHE B 600 68.348 4.174 5.288 1.00 0.00 H new ATOM 0 HD1 PHE B 600 69.031 1.287 7.502 1.00 0.00 H new ATOM 0 HD2 PHE B 600 67.444 2.539 3.715 1.00 0.00 H new ATOM 0 HE1 PHE B 600 67.963 -0.932 7.214 1.00 0.00 H new ATOM 0 HE2 PHE B 600 66.380 0.320 3.424 1.00 0.00 H new ATOM 0 HZ PHE B 600 66.636 -1.417 5.176 1.00 0.00 H new ATOM 2481 N LEU B 601 69.810 2.363 3.141 1.00 0.00 N ATOM 2482 CA LEU B 601 69.921 1.297 2.109 1.00 0.00 C ATOM 2483 C LEU B 601 71.397 1.075 1.765 1.00 0.00 C ATOM 2484 O LEU B 601 71.840 -0.035 1.547 1.00 0.00 O ATOM 2485 CB LEU B 601 69.079 1.721 0.871 1.00 0.00 C ATOM 2486 CG LEU B 601 69.941 2.041 -0.372 1.00 0.00 C ATOM 2487 CD1 LEU B 601 70.602 0.757 -0.938 1.00 0.00 C ATOM 2488 CD2 LEU B 601 69.037 2.674 -1.436 1.00 0.00 C ATOM 0 H LEU B 601 69.103 3.074 2.955 1.00 0.00 H new ATOM 0 HA LEU B 601 69.530 0.348 2.476 1.00 0.00 H new ATOM 0 HB2 LEU B 601 68.380 0.922 0.624 1.00 0.00 H new ATOM 0 HB3 LEU B 601 68.484 2.597 1.128 1.00 0.00 H new ATOM 0 HG LEU B 601 70.738 2.729 -0.090 1.00 0.00 H new ATOM 0 HD11 LEU B 601 71.202 1.012 -1.812 1.00 0.00 H new ATOM 0 HD12 LEU B 601 71.241 0.311 -0.176 1.00 0.00 H new ATOM 0 HD13 LEU B 601 69.828 0.045 -1.225 1.00 0.00 H new ATOM 0 HD21 LEU B 601 69.627 2.908 -2.322 1.00 0.00 H new ATOM 0 HD22 LEU B 601 68.244 1.975 -1.702 1.00 0.00 H new ATOM 0 HD23 LEU B 601 68.597 3.590 -1.041 1.00 0.00 H new ATOM 2500 N LYS B 602 72.149 2.129 1.705 1.00 0.00 N ATOM 2501 CA LYS B 602 73.592 2.005 1.363 1.00 0.00 C ATOM 2502 C LYS B 602 74.339 1.185 2.429 1.00 0.00 C ATOM 2503 O LYS B 602 75.414 0.677 2.180 1.00 0.00 O ATOM 2504 CB LYS B 602 74.197 3.410 1.266 1.00 0.00 C ATOM 2505 CG LYS B 602 75.681 3.338 0.948 1.00 0.00 C ATOM 2506 CD LYS B 602 75.916 2.555 -0.355 1.00 0.00 C ATOM 2507 CE LYS B 602 77.242 2.980 -0.992 1.00 0.00 C ATOM 2508 NZ LYS B 602 77.238 4.453 -1.228 1.00 0.00 N ATOM 0 H LYS B 602 71.827 3.081 1.879 1.00 0.00 H new ATOM 0 HA LYS B 602 73.691 1.487 0.409 1.00 0.00 H new ATOM 0 HB2 LYS B 602 73.682 3.980 0.493 1.00 0.00 H new ATOM 0 HB3 LYS B 602 74.047 3.941 2.206 1.00 0.00 H new ATOM 0 HG2 LYS B 602 76.088 4.345 0.852 1.00 0.00 H new ATOM 0 HG3 LYS B 602 76.212 2.856 1.769 1.00 0.00 H new ATOM 0 HD2 LYS B 602 75.929 1.485 -0.148 1.00 0.00 H new ATOM 0 HD3 LYS B 602 75.096 2.735 -1.050 1.00 0.00 H new ATOM 0 HE2 LYS B 602 78.073 2.709 -0.341 1.00 0.00 H new ATOM 0 HE3 LYS B 602 77.390 2.452 -1.934 1.00 0.00 H new ATOM 0 HZ1 LYS B 602 77.605 4.653 -2.180 1.00 0.00 H new ATOM 0 HZ2 LYS B 602 76.266 4.815 -1.149 1.00 0.00 H new ATOM 0 HZ3 LYS B 602 77.840 4.920 -0.520 1.00 0.00 H new ATOM 2522 N LEU B 603 73.803 1.070 3.620 1.00 0.00 N ATOM 2523 CA LEU B 603 74.521 0.304 4.694 1.00 0.00 C ATOM 2524 C LEU B 603 74.087 -1.167 4.712 1.00 0.00 C ATOM 2525 O LEU B 603 74.903 -2.060 4.602 1.00 0.00 O ATOM 2526 CB LEU B 603 74.220 0.940 6.059 1.00 0.00 C ATOM 2527 CG LEU B 603 74.079 2.455 5.893 1.00 0.00 C ATOM 2528 CD1 LEU B 603 73.934 3.129 7.268 1.00 0.00 C ATOM 2529 CD2 LEU B 603 75.311 3.026 5.158 1.00 0.00 C ATOM 0 H LEU B 603 72.906 1.469 3.896 1.00 0.00 H new ATOM 0 HA LEU B 603 75.590 0.343 4.487 1.00 0.00 H new ATOM 0 HB2 LEU B 603 73.303 0.521 6.473 1.00 0.00 H new ATOM 0 HB3 LEU B 603 75.021 0.713 6.763 1.00 0.00 H new ATOM 0 HG LEU B 603 73.186 2.659 5.302 1.00 0.00 H new ATOM 0 HD11 LEU B 603 73.835 4.206 7.136 1.00 0.00 H new ATOM 0 HD12 LEU B 603 73.048 2.742 7.772 1.00 0.00 H new ATOM 0 HD13 LEU B 603 74.816 2.917 7.872 1.00 0.00 H new ATOM 0 HD21 LEU B 603 75.200 4.104 5.045 1.00 0.00 H new ATOM 0 HD22 LEU B 603 76.211 2.812 5.735 1.00 0.00 H new ATOM 0 HD23 LEU B 603 75.393 2.565 4.174 1.00 0.00 H new ATOM 2541 N PHE B 604 72.816 -1.428 4.872 1.00 0.00 N ATOM 2542 CA PHE B 604 72.338 -2.846 4.921 1.00 0.00 C ATOM 2543 C PHE B 604 71.846 -3.280 3.533 1.00 0.00 C ATOM 2544 O PHE B 604 71.233 -4.317 3.382 1.00 0.00 O ATOM 2545 CB PHE B 604 71.197 -2.954 5.957 1.00 0.00 C ATOM 2546 CG PHE B 604 71.768 -3.277 7.329 1.00 0.00 C ATOM 2547 CD1 PHE B 604 72.431 -2.288 8.076 1.00 0.00 C ATOM 2548 CD2 PHE B 604 71.636 -4.572 7.849 1.00 0.00 C ATOM 2549 CE1 PHE B 604 72.958 -2.600 9.335 1.00 0.00 C ATOM 2550 CE2 PHE B 604 72.164 -4.880 9.109 1.00 0.00 C ATOM 2551 CZ PHE B 604 72.824 -3.895 9.851 1.00 0.00 C ATOM 0 H PHE B 604 72.086 -0.722 4.971 1.00 0.00 H new ATOM 0 HA PHE B 604 73.156 -3.503 5.215 1.00 0.00 H new ATOM 0 HB2 PHE B 604 70.641 -2.017 5.997 1.00 0.00 H new ATOM 0 HB3 PHE B 604 70.493 -3.730 5.655 1.00 0.00 H new ATOM 0 HD1 PHE B 604 72.534 -1.289 7.679 1.00 0.00 H new ATOM 0 HD2 PHE B 604 71.126 -5.333 7.277 1.00 0.00 H new ATOM 0 HE1 PHE B 604 73.469 -1.841 9.909 1.00 0.00 H new ATOM 0 HE2 PHE B 604 72.062 -5.878 9.508 1.00 0.00 H new ATOM 0 HZ PHE B 604 73.231 -4.133 10.823 1.00 0.00 H new ATOM 2561 N CYS B 605 72.125 -2.506 2.518 1.00 0.00 N ATOM 2562 CA CYS B 605 71.687 -2.887 1.142 1.00 0.00 C ATOM 2563 C CYS B 605 72.538 -2.135 0.115 1.00 0.00 C ATOM 2564 O CYS B 605 73.497 -1.499 0.521 1.00 0.00 O ATOM 2565 CB CYS B 605 70.209 -2.529 0.947 1.00 0.00 C ATOM 2566 SG CYS B 605 69.172 -3.789 1.728 1.00 0.00 S ATOM 2567 OXT CYS B 605 72.217 -2.209 -1.060 1.00 0.00 O ATOM 0 H CYS B 605 72.637 -1.626 2.582 1.00 0.00 H new ATOM 0 HA CYS B 605 71.813 -3.961 1.007 1.00 0.00 H new ATOM 0 HB2 CYS B 605 70.001 -1.551 1.382 1.00 0.00 H new ATOM 0 HB3 CYS B 605 69.978 -2.461 -0.116 1.00 0.00 H new ATOM 0 HG CYS B 605 69.880 -4.464 2.584 1.00 0.00 H new