USER MOD reduce.3.24.130724 H: found=0, std=0, add=1008, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1006 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: B 870 GLN : amide:sc= -2.81 K(o=-1.6,f=-2.6!) USER MOD Set 1.2: B 874 THR OG1 : rot 80:sc= 1.25 USER MOD Set 2.1: B 848 ASN : amide:sc= -0.539 K(o=-0.12,f=-11!) USER MOD Set 2.2: B 851 ASN : amide:sc= 0.0515 K(o=-0.12,f=-4.3) USER MOD Set 2.3: B 882 ASN : amide:sc= 0.367 K(o=-0.12,f=-3.3) USER MOD Set 3.1: A 248 THR OG1 : rot 52:sc= 0.0158 USER MOD Set 3.2: A 251 GLN : amide:sc= -1.37 K(o=-1.4,f=-1.9!) USER MOD Set 4.1: A 240 THR OG1 : rot 29:sc= 1.23 USER MOD Set 4.2: A 250 SER OG : rot 76:sc= 0.713 USER MOD Single : A 233 SER OG : rot 9:sc= 0.964 USER MOD Single : A 236 THR OG1 : rot 85:sc= 1.1 USER MOD Single : A 238 CYS SG : rot -88:sc= -0.6 USER MOD Single : A 241 THR OG1 : rot -98:sc= 1.23 USER MOD Single : A 243 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 244 SER OG : rot -150:sc= -0.0863 USER MOD Single : A 246 ASN : amide:sc= -0.414 K(o=-0.41,f=-2.3) USER MOD Single : A 247 LYS NZ :NH3+ 142:sc= -0.0513 (180deg=-1.24) USER MOD Single : A 252 THR OG1 : rot 74:sc= 1.2 USER MOD Single : A 255 THR OG1 : rot 180:sc= 0 USER MOD Single : A 256 THR OG1 : rot -91:sc= 0.448 USER MOD Single : A 259 SER OG : rot 70:sc= 1.07 USER MOD Single : A 262 GLN : amide:sc= -0.152 X(o=-0.15,f=-0.6) USER MOD Single : A 267 SER OG : rot 180:sc= 0 USER MOD Single : A 274 CYS SG : rot 36:sc= -2.64! USER MOD Single : A 280 GLN :FLIP amide:sc= -0.266 F(o=-1.1,f=-0.27) USER MOD Single : A 281 LYS NZ :NH3+ 175:sc= 1.32 (180deg=1.29) USER MOD Single : A 290 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 295 LYS NZ :NH3+ 165:sc=-0.000619 (180deg=-0.0879) USER MOD Single : B 833 TYR OH : rot -7:sc= 0.978 USER MOD Single : B 834 ASN : amide:sc= -2.32 K(o=-2.3,f=-3.2) USER MOD Single : B 838 GLN : amide:sc= -3! C(o=-3!,f=-5.2!) USER MOD Single : B 843 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 844 MET CE :methyl 177:sc= -0.161 (180deg=-0.193) USER MOD Single : B 850 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0957) USER MOD Single : B 852 CYS SG : rot 56:sc= 0.596 USER MOD Single : B 854 SER OG : rot 73:sc= 0.399 USER MOD Single : B 856 MET CE :methyl 139:sc= -0.216 (180deg=-0.676) USER MOD Single : B 857 HIS : no HE2:sc= -0.0193 K(o=-0.019,f=-5.5!) USER MOD Single : B 858 HIS :FLIP no HE2:sc= 0.162 F(o=-0.65,f=0.16) USER MOD Single : B 860 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 861 ASN : amide:sc= -1.96! C(o=-2!,f=-12!) USER MOD Single : B 869 SER OG : rot 78:sc= 0.0322 USER MOD Single : B 875 SER OG : rot 73:sc= 0.134 USER MOD Single : B 879 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 884 LYS NZ :NH3+ -165:sc= 1.22 (180deg=1.08) USER MOD Single : B 885 GLN : amide:sc= 0.311 X(o=0.31,f=0) USER MOD Single : B 887 TYR OH : rot 180:sc= 0 USER MOD Single : B 891 HIS : no HE2:sc= 0.987 K(o=0.99,f=-3.2!) USER MOD Single : B 892 THR OG1 : rot 180:sc= 0.0172 USER MOD Single : B 893 SER OG : rot 180:sc= -1.5! USER MOD ----------------------------------------------------------------- ATOM 335 N ASP A 230 -12.741 2.130 -5.434 1.00 0.00 N ATOM 336 CA ASP A 230 -11.378 2.604 -5.611 1.00 0.00 C ATOM 337 C ASP A 230 -10.464 1.905 -4.617 1.00 0.00 C ATOM 338 O ASP A 230 -9.371 1.456 -4.980 1.00 0.00 O ATOM 339 CB ASP A 230 -11.298 4.128 -5.444 1.00 0.00 C ATOM 340 CG ASP A 230 -10.047 4.727 -6.068 1.00 0.00 C ATOM 341 OD1 ASP A 230 -8.968 4.695 -5.465 1.00 0.00 O ATOM 342 OD2 ASP A 230 -10.141 5.258 -7.212 1.00 0.00 O ATOM 0 HA ASP A 230 -11.052 2.367 -6.624 1.00 0.00 H new ATOM 0 HB2 ASP A 230 -12.178 4.585 -5.897 1.00 0.00 H new ATOM 0 HB3 ASP A 230 -11.322 4.374 -4.382 1.00 0.00 H new ATOM 347 N LEU A 231 -10.947 1.750 -3.380 1.00 0.00 N ATOM 348 CA LEU A 231 -10.203 1.065 -2.326 1.00 0.00 C ATOM 349 C LEU A 231 -9.784 -0.321 -2.737 1.00 0.00 C ATOM 350 O LEU A 231 -8.600 -0.653 -2.659 1.00 0.00 O ATOM 351 CB LEU A 231 -10.986 0.995 -1.009 1.00 0.00 C ATOM 352 CG LEU A 231 -10.635 2.038 0.065 1.00 0.00 C ATOM 353 CD1 LEU A 231 -10.780 3.449 -0.443 1.00 0.00 C ATOM 354 CD2 LEU A 231 -11.498 1.833 1.284 1.00 0.00 C ATOM 0 H LEU A 231 -11.860 2.095 -3.085 1.00 0.00 H new ATOM 0 HA LEU A 231 -9.308 1.665 -2.162 1.00 0.00 H new ATOM 0 HB2 LEU A 231 -12.047 1.089 -1.240 1.00 0.00 H new ATOM 0 HB3 LEU A 231 -10.840 0.004 -0.580 1.00 0.00 H new ATOM 0 HG LEU A 231 -9.587 1.895 0.330 1.00 0.00 H new ATOM 0 HD11 LEU A 231 -10.521 4.150 0.351 1.00 0.00 H new ATOM 0 HD12 LEU A 231 -10.113 3.600 -1.292 1.00 0.00 H new ATOM 0 HD13 LEU A 231 -11.810 3.619 -0.756 1.00 0.00 H new ATOM 0 HD21 LEU A 231 -11.243 2.576 2.040 1.00 0.00 H new ATOM 0 HD22 LEU A 231 -12.547 1.941 1.009 1.00 0.00 H new ATOM 0 HD23 LEU A 231 -11.329 0.834 1.686 1.00 0.00 H new ATOM 366 N VAL A 232 -10.733 -1.125 -3.214 1.00 0.00 N ATOM 367 CA VAL A 232 -10.417 -2.478 -3.596 1.00 0.00 C ATOM 368 C VAL A 232 -9.416 -2.489 -4.741 1.00 0.00 C ATOM 369 O VAL A 232 -8.433 -3.218 -4.681 1.00 0.00 O ATOM 370 CB VAL A 232 -11.675 -3.366 -3.916 1.00 0.00 C ATOM 371 CG1 VAL A 232 -12.439 -2.906 -5.153 1.00 0.00 C ATOM 372 CG2 VAL A 232 -11.292 -4.832 -4.036 1.00 0.00 C ATOM 0 H VAL A 232 -11.709 -0.858 -3.340 1.00 0.00 H new ATOM 0 HA VAL A 232 -9.960 -2.942 -2.722 1.00 0.00 H new ATOM 0 HB VAL A 232 -12.353 -3.245 -3.071 1.00 0.00 H new ATOM 0 HG11 VAL A 232 -13.294 -3.561 -5.317 1.00 0.00 H new ATOM 0 HG12 VAL A 232 -12.788 -1.884 -5.006 1.00 0.00 H new ATOM 0 HG13 VAL A 232 -11.782 -2.944 -6.022 1.00 0.00 H new ATOM 0 HG21 VAL A 232 -12.181 -5.423 -4.257 1.00 0.00 H new ATOM 0 HG22 VAL A 232 -10.566 -4.954 -4.839 1.00 0.00 H new ATOM 0 HG23 VAL A 232 -10.855 -5.172 -3.097 1.00 0.00 H new ATOM 382 N SER A 233 -9.609 -1.617 -5.729 1.00 0.00 N ATOM 383 CA SER A 233 -8.718 -1.574 -6.862 1.00 0.00 C ATOM 384 C SER A 233 -7.272 -1.240 -6.462 1.00 0.00 C ATOM 385 O SER A 233 -6.342 -1.905 -6.905 1.00 0.00 O ATOM 386 CB SER A 233 -9.265 -0.665 -7.985 1.00 0.00 C ATOM 387 OG SER A 233 -9.661 0.615 -7.513 1.00 0.00 O ATOM 0 H SER A 233 -10.371 -0.940 -5.759 1.00 0.00 H new ATOM 0 HA SER A 233 -8.678 -2.581 -7.276 1.00 0.00 H new ATOM 0 HB2 SER A 233 -8.501 -0.544 -8.753 1.00 0.00 H new ATOM 0 HB3 SER A 233 -10.117 -1.153 -8.458 1.00 0.00 H new ATOM 0 HG SER A 233 -9.370 0.725 -6.584 1.00 0.00 H new ATOM 393 N ARG A 234 -7.097 -0.285 -5.540 1.00 0.00 N ATOM 394 CA ARG A 234 -5.748 0.120 -5.142 1.00 0.00 C ATOM 395 C ARG A 234 -5.091 -0.965 -4.343 1.00 0.00 C ATOM 396 O ARG A 234 -3.951 -1.307 -4.605 1.00 0.00 O ATOM 397 CB ARG A 234 -5.731 1.426 -4.342 1.00 0.00 C ATOM 398 CG ARG A 234 -6.506 2.544 -4.971 1.00 0.00 C ATOM 399 CD ARG A 234 -6.070 2.801 -6.393 1.00 0.00 C ATOM 400 NE ARG A 234 -7.095 3.547 -7.098 1.00 0.00 N ATOM 401 CZ ARG A 234 -7.266 3.557 -8.409 1.00 0.00 C ATOM 402 NH1 ARG A 234 -6.377 2.975 -9.208 1.00 0.00 N ATOM 403 NH2 ARG A 234 -8.327 4.162 -8.917 1.00 0.00 N ATOM 0 H ARG A 234 -7.853 0.210 -5.067 1.00 0.00 H new ATOM 0 HA ARG A 234 -5.192 0.294 -6.064 1.00 0.00 H new ATOM 0 HB2 ARG A 234 -6.134 1.235 -3.347 1.00 0.00 H new ATOM 0 HB3 ARG A 234 -4.697 1.745 -4.211 1.00 0.00 H new ATOM 0 HG2 ARG A 234 -7.569 2.303 -4.955 1.00 0.00 H new ATOM 0 HG3 ARG A 234 -6.376 3.452 -4.382 1.00 0.00 H new ATOM 0 HD2 ARG A 234 -5.133 3.358 -6.400 1.00 0.00 H new ATOM 0 HD3 ARG A 234 -5.882 1.855 -6.901 1.00 0.00 H new ATOM 0 HE ARG A 234 -7.735 4.109 -6.537 1.00 0.00 H new ATOM 0 HH11 ARG A 234 -5.557 2.517 -8.810 1.00 0.00 H new ATOM 0 HH12 ARG A 234 -6.515 2.986 -10.219 1.00 0.00 H new ATOM 0 HH21 ARG A 234 -9.001 4.613 -8.299 1.00 0.00 H new ATOM 0 HH22 ARG A 234 -8.471 4.177 -9.927 1.00 0.00 H new ATOM 417 N VAL A 235 -5.830 -1.549 -3.394 1.00 0.00 N ATOM 418 CA VAL A 235 -5.252 -2.595 -2.572 1.00 0.00 C ATOM 419 C VAL A 235 -4.892 -3.800 -3.450 1.00 0.00 C ATOM 420 O VAL A 235 -3.807 -4.352 -3.311 1.00 0.00 O ATOM 421 CB VAL A 235 -6.154 -3.052 -1.384 1.00 0.00 C ATOM 422 CG1 VAL A 235 -5.385 -4.002 -0.472 1.00 0.00 C ATOM 423 CG2 VAL A 235 -6.668 -1.878 -0.573 1.00 0.00 C ATOM 0 H VAL A 235 -6.801 -1.318 -3.186 1.00 0.00 H new ATOM 0 HA VAL A 235 -4.359 -2.165 -2.118 1.00 0.00 H new ATOM 0 HB VAL A 235 -7.014 -3.566 -1.813 1.00 0.00 H new ATOM 0 HG11 VAL A 235 -6.026 -4.313 0.353 1.00 0.00 H new ATOM 0 HG12 VAL A 235 -5.073 -4.879 -1.040 1.00 0.00 H new ATOM 0 HG13 VAL A 235 -4.505 -3.494 -0.076 1.00 0.00 H new ATOM 0 HG21 VAL A 235 -7.291 -2.244 0.243 1.00 0.00 H new ATOM 0 HG22 VAL A 235 -5.825 -1.321 -0.164 1.00 0.00 H new ATOM 0 HG23 VAL A 235 -7.258 -1.223 -1.214 1.00 0.00 H new ATOM 433 N THR A 236 -5.784 -4.155 -4.404 1.00 0.00 N ATOM 434 CA THR A 236 -5.519 -5.272 -5.321 1.00 0.00 C ATOM 435 C THR A 236 -4.201 -5.010 -6.066 1.00 0.00 C ATOM 436 O THR A 236 -3.285 -5.837 -6.031 1.00 0.00 O ATOM 437 CB THR A 236 -6.654 -5.483 -6.387 1.00 0.00 C ATOM 438 OG1 THR A 236 -7.945 -5.509 -5.763 1.00 0.00 O ATOM 439 CG2 THR A 236 -6.470 -6.821 -7.080 1.00 0.00 C ATOM 0 H THR A 236 -6.679 -3.688 -4.553 1.00 0.00 H new ATOM 0 HA THR A 236 -5.468 -6.174 -4.711 1.00 0.00 H new ATOM 0 HB THR A 236 -6.593 -4.657 -7.096 1.00 0.00 H new ATOM 0 HG1 THR A 236 -8.273 -4.592 -5.651 1.00 0.00 H new ATOM 0 HG21 THR A 236 -7.260 -6.960 -7.818 1.00 0.00 H new ATOM 0 HG22 THR A 236 -5.501 -6.842 -7.578 1.00 0.00 H new ATOM 0 HG23 THR A 236 -6.517 -7.622 -6.342 1.00 0.00 H new ATOM 447 N GLU A 237 -4.099 -3.816 -6.668 1.00 0.00 N ATOM 448 CA GLU A 237 -2.924 -3.412 -7.414 1.00 0.00 C ATOM 449 C GLU A 237 -1.665 -3.407 -6.536 1.00 0.00 C ATOM 450 O GLU A 237 -0.607 -3.898 -6.964 1.00 0.00 O ATOM 451 CB GLU A 237 -3.153 -2.054 -8.107 1.00 0.00 C ATOM 452 CG GLU A 237 -4.203 -2.120 -9.222 1.00 0.00 C ATOM 453 CD GLU A 237 -4.531 -0.776 -9.851 1.00 0.00 C ATOM 454 OE1 GLU A 237 -3.656 -0.176 -10.513 1.00 0.00 O ATOM 455 OE2 GLU A 237 -5.687 -0.313 -9.740 1.00 0.00 O ATOM 0 H GLU A 237 -4.836 -3.111 -6.644 1.00 0.00 H new ATOM 0 HA GLU A 237 -2.754 -4.153 -8.195 1.00 0.00 H new ATOM 0 HB2 GLU A 237 -3.466 -1.321 -7.363 1.00 0.00 H new ATOM 0 HB3 GLU A 237 -2.210 -1.702 -8.524 1.00 0.00 H new ATOM 0 HG2 GLU A 237 -3.848 -2.795 -10.000 1.00 0.00 H new ATOM 0 HG3 GLU A 237 -5.118 -2.552 -8.818 1.00 0.00 H new ATOM 462 N CYS A 238 -1.786 -2.923 -5.293 1.00 0.00 N ATOM 463 CA CYS A 238 -0.672 -2.894 -4.380 1.00 0.00 C ATOM 464 C CYS A 238 -0.147 -4.288 -4.104 1.00 0.00 C ATOM 465 O CYS A 238 1.040 -4.501 -4.135 1.00 0.00 O ATOM 466 CB CYS A 238 -1.025 -2.181 -3.076 1.00 0.00 C ATOM 467 SG CYS A 238 -1.246 -0.393 -3.234 1.00 0.00 S ATOM 0 H CYS A 238 -2.654 -2.548 -4.910 1.00 0.00 H new ATOM 0 HA CYS A 238 0.120 -2.324 -4.864 1.00 0.00 H new ATOM 0 HB2 CYS A 238 -1.942 -2.614 -2.677 1.00 0.00 H new ATOM 0 HB3 CYS A 238 -0.238 -2.374 -2.347 1.00 0.00 H new ATOM 0 HG CYS A 238 -0.100 0.201 -3.082 1.00 0.00 H new ATOM 473 N LEU A 239 -1.031 -5.246 -3.897 1.00 0.00 N ATOM 474 CA LEU A 239 -0.593 -6.616 -3.620 1.00 0.00 C ATOM 475 C LEU A 239 0.034 -7.203 -4.899 1.00 0.00 C ATOM 476 O LEU A 239 1.057 -7.881 -4.872 1.00 0.00 O ATOM 477 CB LEU A 239 -1.777 -7.496 -3.164 1.00 0.00 C ATOM 478 CG LEU A 239 -2.784 -6.873 -2.171 1.00 0.00 C ATOM 479 CD1 LEU A 239 -3.803 -7.877 -1.705 1.00 0.00 C ATOM 480 CD2 LEU A 239 -2.115 -6.201 -0.992 1.00 0.00 C ATOM 0 H LEU A 239 -2.042 -5.113 -3.913 1.00 0.00 H new ATOM 0 HA LEU A 239 0.141 -6.599 -2.814 1.00 0.00 H new ATOM 0 HB2 LEU A 239 -2.328 -7.807 -4.052 1.00 0.00 H new ATOM 0 HB3 LEU A 239 -1.370 -8.399 -2.709 1.00 0.00 H new ATOM 0 HG LEU A 239 -3.303 -6.092 -2.727 1.00 0.00 H new ATOM 0 HD11 LEU A 239 -4.492 -7.399 -1.009 1.00 0.00 H new ATOM 0 HD12 LEU A 239 -4.359 -8.256 -2.563 1.00 0.00 H new ATOM 0 HD13 LEU A 239 -3.297 -8.704 -1.206 1.00 0.00 H new ATOM 0 HD21 LEU A 239 -2.875 -5.783 -0.332 1.00 0.00 H new ATOM 0 HD22 LEU A 239 -1.521 -6.933 -0.445 1.00 0.00 H new ATOM 0 HD23 LEU A 239 -1.466 -5.402 -1.349 1.00 0.00 H new ATOM 492 N THR A 240 -0.561 -6.828 -6.002 1.00 0.00 N ATOM 493 CA THR A 240 -0.197 -7.253 -7.350 1.00 0.00 C ATOM 494 C THR A 240 1.188 -6.711 -7.810 1.00 0.00 C ATOM 495 O THR A 240 1.771 -7.186 -8.798 1.00 0.00 O ATOM 496 CB THR A 240 -1.350 -6.849 -8.326 1.00 0.00 C ATOM 497 OG1 THR A 240 -2.471 -7.727 -8.149 1.00 0.00 O ATOM 498 CG2 THR A 240 -0.944 -6.789 -9.791 1.00 0.00 C ATOM 0 H THR A 240 -1.353 -6.186 -5.995 1.00 0.00 H new ATOM 0 HA THR A 240 -0.080 -8.337 -7.355 1.00 0.00 H new ATOM 0 HB THR A 240 -1.624 -5.828 -8.061 1.00 0.00 H new ATOM 0 HG1 THR A 240 -2.487 -8.054 -7.225 1.00 0.00 H new ATOM 0 HG21 THR A 240 -1.804 -6.501 -10.395 1.00 0.00 H new ATOM 0 HG22 THR A 240 -0.149 -6.054 -9.918 1.00 0.00 H new ATOM 0 HG23 THR A 240 -0.587 -7.768 -10.110 1.00 0.00 H new ATOM 506 N THR A 241 1.732 -5.765 -7.084 1.00 0.00 N ATOM 507 CA THR A 241 3.042 -5.225 -7.435 1.00 0.00 C ATOM 508 C THR A 241 4.148 -6.279 -7.270 1.00 0.00 C ATOM 509 O THR A 241 5.212 -6.196 -7.901 1.00 0.00 O ATOM 510 CB THR A 241 3.373 -4.007 -6.587 1.00 0.00 C ATOM 511 OG1 THR A 241 3.406 -4.373 -5.203 1.00 0.00 O ATOM 512 CG2 THR A 241 2.334 -2.937 -6.815 1.00 0.00 C ATOM 0 H THR A 241 1.303 -5.352 -6.256 1.00 0.00 H new ATOM 0 HA THR A 241 2.996 -4.930 -8.483 1.00 0.00 H new ATOM 0 HB THR A 241 4.352 -3.622 -6.873 1.00 0.00 H new ATOM 0 HG1 THR A 241 2.549 -4.147 -4.784 1.00 0.00 H new ATOM 0 HG21 THR A 241 2.571 -2.064 -6.207 1.00 0.00 H new ATOM 0 HG22 THR A 241 2.327 -2.655 -7.868 1.00 0.00 H new ATOM 0 HG23 THR A 241 1.352 -3.318 -6.535 1.00 0.00 H new ATOM 520 N VAL A 242 3.879 -7.288 -6.464 1.00 0.00 N ATOM 521 CA VAL A 242 4.798 -8.373 -6.291 1.00 0.00 C ATOM 522 C VAL A 242 4.735 -9.248 -7.529 1.00 0.00 C ATOM 523 O VAL A 242 3.653 -9.650 -7.936 1.00 0.00 O ATOM 524 CB VAL A 242 4.445 -9.227 -5.059 1.00 0.00 C ATOM 525 CG1 VAL A 242 5.457 -10.334 -4.856 1.00 0.00 C ATOM 526 CG2 VAL A 242 4.347 -8.373 -3.824 1.00 0.00 C ATOM 0 H VAL A 242 3.021 -7.370 -5.919 1.00 0.00 H new ATOM 0 HA VAL A 242 5.797 -7.964 -6.141 1.00 0.00 H new ATOM 0 HB VAL A 242 3.472 -9.684 -5.240 1.00 0.00 H new ATOM 0 HG11 VAL A 242 5.183 -10.921 -3.979 1.00 0.00 H new ATOM 0 HG12 VAL A 242 5.472 -10.979 -5.735 1.00 0.00 H new ATOM 0 HG13 VAL A 242 6.446 -9.900 -4.708 1.00 0.00 H new ATOM 0 HG21 VAL A 242 4.097 -8.999 -2.968 1.00 0.00 H new ATOM 0 HG22 VAL A 242 5.303 -7.880 -3.646 1.00 0.00 H new ATOM 0 HG23 VAL A 242 3.571 -7.621 -3.963 1.00 0.00 H new ATOM 536 N LYS A 243 5.892 -9.538 -8.111 1.00 0.00 N ATOM 537 CA LYS A 243 6.002 -10.338 -9.345 1.00 0.00 C ATOM 538 C LYS A 243 5.248 -11.687 -9.273 1.00 0.00 C ATOM 539 O LYS A 243 4.799 -12.206 -10.283 1.00 0.00 O ATOM 540 CB LYS A 243 7.487 -10.577 -9.767 1.00 0.00 C ATOM 541 CG LYS A 243 8.344 -11.453 -8.818 1.00 0.00 C ATOM 542 CD LYS A 243 8.858 -10.735 -7.561 1.00 0.00 C ATOM 543 CE LYS A 243 9.920 -9.682 -7.895 1.00 0.00 C ATOM 544 NZ LYS A 243 10.533 -9.095 -6.676 1.00 0.00 N ATOM 0 H LYS A 243 6.792 -9.227 -7.745 1.00 0.00 H new ATOM 0 HA LYS A 243 5.516 -9.735 -10.112 1.00 0.00 H new ATOM 0 HB2 LYS A 243 7.491 -11.039 -10.754 1.00 0.00 H new ATOM 0 HB3 LYS A 243 7.973 -9.607 -9.868 1.00 0.00 H new ATOM 0 HG2 LYS A 243 7.752 -12.315 -8.510 1.00 0.00 H new ATOM 0 HG3 LYS A 243 9.199 -11.836 -9.375 1.00 0.00 H new ATOM 0 HD2 LYS A 243 8.022 -10.258 -7.049 1.00 0.00 H new ATOM 0 HD3 LYS A 243 9.278 -11.467 -6.871 1.00 0.00 H new ATOM 0 HE2 LYS A 243 10.699 -10.136 -8.508 1.00 0.00 H new ATOM 0 HE3 LYS A 243 9.468 -8.889 -8.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 243 11.245 -8.388 -6.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 243 9.796 -8.638 -6.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 243 10.988 -9.847 -6.120 1.00 0.00 H new ATOM 558 N SER A 244 5.106 -12.232 -8.087 1.00 0.00 N ATOM 559 CA SER A 244 4.441 -13.500 -7.923 1.00 0.00 C ATOM 560 C SER A 244 2.933 -13.346 -7.638 1.00 0.00 C ATOM 561 O SER A 244 2.178 -14.318 -7.725 1.00 0.00 O ATOM 562 CB SER A 244 5.107 -14.268 -6.791 1.00 0.00 C ATOM 563 OG SER A 244 6.508 -14.384 -7.013 1.00 0.00 O ATOM 0 H SER A 244 5.444 -11.814 -7.220 1.00 0.00 H new ATOM 0 HA SER A 244 4.531 -14.047 -8.862 1.00 0.00 H new ATOM 0 HB2 SER A 244 4.925 -13.759 -5.844 1.00 0.00 H new ATOM 0 HB3 SER A 244 4.664 -15.261 -6.709 1.00 0.00 H new ATOM 0 HG SER A 244 6.836 -15.213 -6.606 1.00 0.00 H new ATOM 569 N VAL A 245 2.490 -12.149 -7.330 1.00 0.00 N ATOM 570 CA VAL A 245 1.108 -11.955 -6.936 1.00 0.00 C ATOM 571 C VAL A 245 0.263 -11.477 -8.119 1.00 0.00 C ATOM 572 O VAL A 245 0.492 -10.405 -8.688 1.00 0.00 O ATOM 573 CB VAL A 245 0.982 -10.998 -5.719 1.00 0.00 C ATOM 574 CG1 VAL A 245 -0.468 -10.829 -5.305 1.00 0.00 C ATOM 575 CG2 VAL A 245 1.785 -11.542 -4.545 1.00 0.00 C ATOM 0 H VAL A 245 3.057 -11.301 -7.343 1.00 0.00 H new ATOM 0 HA VAL A 245 0.719 -12.922 -6.618 1.00 0.00 H new ATOM 0 HB VAL A 245 1.374 -10.024 -6.013 1.00 0.00 H new ATOM 0 HG11 VAL A 245 -0.526 -10.154 -4.451 1.00 0.00 H new ATOM 0 HG12 VAL A 245 -1.037 -10.413 -6.136 1.00 0.00 H new ATOM 0 HG13 VAL A 245 -0.883 -11.799 -5.030 1.00 0.00 H new ATOM 0 HG21 VAL A 245 1.692 -10.865 -3.696 1.00 0.00 H new ATOM 0 HG22 VAL A 245 1.405 -12.526 -4.269 1.00 0.00 H new ATOM 0 HG23 VAL A 245 2.834 -11.625 -4.829 1.00 0.00 H new ATOM 585 N ASN A 246 -0.682 -12.307 -8.492 1.00 0.00 N ATOM 586 CA ASN A 246 -1.579 -12.069 -9.624 1.00 0.00 C ATOM 587 C ASN A 246 -2.882 -11.436 -9.094 1.00 0.00 C ATOM 588 O ASN A 246 -3.015 -11.249 -7.893 1.00 0.00 O ATOM 589 CB ASN A 246 -1.849 -13.425 -10.306 1.00 0.00 C ATOM 590 CG ASN A 246 -2.574 -13.339 -11.636 1.00 0.00 C ATOM 591 OD1 ASN A 246 -2.503 -12.330 -12.333 1.00 0.00 O ATOM 592 ND2 ASN A 246 -3.225 -14.409 -12.015 1.00 0.00 N ATOM 0 H ASN A 246 -0.862 -13.190 -8.013 1.00 0.00 H new ATOM 0 HA ASN A 246 -1.140 -11.387 -10.352 1.00 0.00 H new ATOM 0 HB2 ASN A 246 -0.897 -13.933 -10.460 1.00 0.00 H new ATOM 0 HB3 ASN A 246 -2.436 -14.045 -9.629 1.00 0.00 H new ATOM 0 HD21 ASN A 246 -3.697 -14.425 -12.919 1.00 0.00 H new ATOM 0 HD22 ASN A 246 -3.260 -15.227 -11.407 1.00 0.00 H new ATOM 599 N LYS A 247 -3.846 -11.131 -9.951 1.00 0.00 N ATOM 600 CA LYS A 247 -5.070 -10.468 -9.487 1.00 0.00 C ATOM 601 C LYS A 247 -5.919 -11.370 -8.576 1.00 0.00 C ATOM 602 O LYS A 247 -6.378 -10.939 -7.512 1.00 0.00 O ATOM 603 CB LYS A 247 -5.909 -9.911 -10.643 1.00 0.00 C ATOM 604 CG LYS A 247 -7.181 -9.208 -10.183 1.00 0.00 C ATOM 605 CD LYS A 247 -8.014 -8.725 -11.349 1.00 0.00 C ATOM 606 CE LYS A 247 -9.270 -8.007 -10.876 1.00 0.00 C ATOM 607 NZ LYS A 247 -8.970 -6.843 -10.009 1.00 0.00 N ATOM 0 H LYS A 247 -3.813 -11.324 -10.952 1.00 0.00 H new ATOM 0 HA LYS A 247 -4.737 -9.621 -8.887 1.00 0.00 H new ATOM 0 HB2 LYS A 247 -5.303 -9.211 -11.218 1.00 0.00 H new ATOM 0 HB3 LYS A 247 -6.176 -10.727 -11.315 1.00 0.00 H new ATOM 0 HG2 LYS A 247 -7.772 -9.891 -9.573 1.00 0.00 H new ATOM 0 HG3 LYS A 247 -6.918 -8.361 -9.549 1.00 0.00 H new ATOM 0 HD2 LYS A 247 -7.420 -8.053 -11.968 1.00 0.00 H new ATOM 0 HD3 LYS A 247 -8.292 -9.573 -11.975 1.00 0.00 H new ATOM 0 HE2 LYS A 247 -9.841 -7.672 -11.742 1.00 0.00 H new ATOM 0 HE3 LYS A 247 -9.901 -8.708 -10.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 247 -9.635 -6.072 -10.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 247 -9.067 -7.119 -9.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 247 -7.997 -6.520 -10.186 1.00 0.00 H new ATOM 621 N THR A 248 -6.112 -12.613 -8.983 1.00 0.00 N ATOM 622 CA THR A 248 -6.872 -13.574 -8.192 1.00 0.00 C ATOM 623 C THR A 248 -6.151 -13.850 -6.852 1.00 0.00 C ATOM 624 O THR A 248 -6.770 -14.162 -5.821 1.00 0.00 O ATOM 625 CB THR A 248 -7.105 -14.903 -8.989 1.00 0.00 C ATOM 626 OG1 THR A 248 -7.901 -15.832 -8.229 1.00 0.00 O ATOM 627 CG2 THR A 248 -5.787 -15.559 -9.382 1.00 0.00 C ATOM 0 H THR A 248 -5.752 -12.985 -9.862 1.00 0.00 H new ATOM 0 HA THR A 248 -7.851 -13.145 -7.977 1.00 0.00 H new ATOM 0 HB THR A 248 -7.644 -14.637 -9.899 1.00 0.00 H new ATOM 0 HG1 THR A 248 -8.717 -15.387 -7.919 1.00 0.00 H new ATOM 0 HG21 THR A 248 -5.988 -16.478 -9.933 1.00 0.00 H new ATOM 0 HG22 THR A 248 -5.214 -14.877 -10.010 1.00 0.00 H new ATOM 0 HG23 THR A 248 -5.215 -15.792 -8.484 1.00 0.00 H new ATOM 635 N ASP A 249 -4.866 -13.652 -6.874 1.00 0.00 N ATOM 636 CA ASP A 249 -4.004 -13.878 -5.742 1.00 0.00 C ATOM 637 C ASP A 249 -4.298 -12.759 -4.732 1.00 0.00 C ATOM 638 O ASP A 249 -4.712 -13.012 -3.584 1.00 0.00 O ATOM 639 CB ASP A 249 -2.563 -13.820 -6.261 1.00 0.00 C ATOM 640 CG ASP A 249 -1.573 -14.694 -5.544 1.00 0.00 C ATOM 641 OD1 ASP A 249 -1.703 -15.936 -5.642 1.00 0.00 O ATOM 642 OD2 ASP A 249 -0.587 -14.201 -5.038 1.00 0.00 O ATOM 0 H ASP A 249 -4.371 -13.319 -7.701 1.00 0.00 H new ATOM 0 HA ASP A 249 -4.161 -14.841 -5.255 1.00 0.00 H new ATOM 0 HB2 ASP A 249 -2.565 -14.096 -7.316 1.00 0.00 H new ATOM 0 HB3 ASP A 249 -2.217 -12.788 -6.202 1.00 0.00 H new ATOM 647 N SER A 250 -4.203 -11.523 -5.215 1.00 0.00 N ATOM 648 CA SER A 250 -4.517 -10.336 -4.437 1.00 0.00 C ATOM 649 C SER A 250 -5.950 -10.365 -3.882 1.00 0.00 C ATOM 650 O SER A 250 -6.168 -10.036 -2.715 1.00 0.00 O ATOM 651 CB SER A 250 -4.351 -9.101 -5.309 1.00 0.00 C ATOM 652 OG SER A 250 -3.064 -9.036 -5.858 1.00 0.00 O ATOM 0 H SER A 250 -3.902 -11.319 -6.168 1.00 0.00 H new ATOM 0 HA SER A 250 -3.830 -10.309 -3.591 1.00 0.00 H new ATOM 0 HB2 SER A 250 -5.090 -9.116 -6.110 1.00 0.00 H new ATOM 0 HB3 SER A 250 -4.542 -8.206 -4.716 1.00 0.00 H new ATOM 0 HG SER A 250 -2.989 -9.680 -6.592 1.00 0.00 H new ATOM 658 N GLN A 251 -6.933 -10.781 -4.699 1.00 0.00 N ATOM 659 CA GLN A 251 -8.322 -10.767 -4.237 1.00 0.00 C ATOM 660 C GLN A 251 -8.526 -11.746 -3.079 1.00 0.00 C ATOM 661 O GLN A 251 -9.357 -11.521 -2.201 1.00 0.00 O ATOM 662 CB GLN A 251 -9.331 -11.045 -5.350 1.00 0.00 C ATOM 663 CG GLN A 251 -9.347 -12.471 -5.842 1.00 0.00 C ATOM 664 CD GLN A 251 -10.373 -12.728 -6.922 1.00 0.00 C ATOM 665 OE1 GLN A 251 -10.171 -13.574 -7.784 1.00 0.00 O ATOM 666 NE2 GLN A 251 -11.480 -12.040 -6.871 1.00 0.00 N ATOM 0 H GLN A 251 -6.795 -11.120 -5.651 1.00 0.00 H new ATOM 0 HA GLN A 251 -8.511 -9.752 -3.886 1.00 0.00 H new ATOM 0 HB2 GLN A 251 -10.328 -10.787 -4.992 1.00 0.00 H new ATOM 0 HB3 GLN A 251 -9.115 -10.387 -6.191 1.00 0.00 H new ATOM 0 HG2 GLN A 251 -8.358 -12.726 -6.224 1.00 0.00 H new ATOM 0 HG3 GLN A 251 -9.544 -13.135 -5.000 1.00 0.00 H new ATOM 0 HE21 GLN A 251 -11.614 -11.343 -6.138 1.00 0.00 H new ATOM 0 HE22 GLN A 251 -12.212 -12.199 -7.564 1.00 0.00 H new ATOM 675 N THR A 252 -7.742 -12.818 -3.069 1.00 0.00 N ATOM 676 CA THR A 252 -7.799 -13.777 -1.987 1.00 0.00 C ATOM 677 C THR A 252 -7.321 -13.104 -0.678 1.00 0.00 C ATOM 678 O THR A 252 -7.912 -13.278 0.394 1.00 0.00 O ATOM 679 CB THR A 252 -6.958 -15.031 -2.310 1.00 0.00 C ATOM 680 OG1 THR A 252 -7.377 -15.560 -3.589 1.00 0.00 O ATOM 681 CG2 THR A 252 -7.171 -16.103 -1.253 1.00 0.00 C ATOM 0 H THR A 252 -7.064 -13.039 -3.798 1.00 0.00 H new ATOM 0 HA THR A 252 -8.830 -14.107 -1.859 1.00 0.00 H new ATOM 0 HB THR A 252 -5.905 -14.751 -2.332 1.00 0.00 H new ATOM 0 HG1 THR A 252 -7.038 -14.986 -4.307 1.00 0.00 H new ATOM 0 HG21 THR A 252 -6.570 -16.979 -1.497 1.00 0.00 H new ATOM 0 HG22 THR A 252 -6.871 -15.718 -0.278 1.00 0.00 H new ATOM 0 HG23 THR A 252 -8.224 -16.382 -1.225 1.00 0.00 H new ATOM 689 N LEU A 253 -6.303 -12.281 -0.789 1.00 0.00 N ATOM 690 CA LEU A 253 -5.819 -11.515 0.359 1.00 0.00 C ATOM 691 C LEU A 253 -6.822 -10.426 0.762 1.00 0.00 C ATOM 692 O LEU A 253 -6.917 -10.023 1.931 1.00 0.00 O ATOM 693 CB LEU A 253 -4.436 -10.917 0.101 1.00 0.00 C ATOM 694 CG LEU A 253 -3.237 -11.852 0.292 1.00 0.00 C ATOM 695 CD1 LEU A 253 -3.251 -13.002 -0.676 1.00 0.00 C ATOM 696 CD2 LEU A 253 -1.950 -11.091 0.177 1.00 0.00 C ATOM 0 H LEU A 253 -5.789 -12.119 -1.655 1.00 0.00 H new ATOM 0 HA LEU A 253 -5.723 -12.211 1.192 1.00 0.00 H new ATOM 0 HB2 LEU A 253 -4.414 -10.539 -0.921 1.00 0.00 H new ATOM 0 HB3 LEU A 253 -4.307 -10.059 0.761 1.00 0.00 H new ATOM 0 HG LEU A 253 -3.316 -12.271 1.295 1.00 0.00 H new ATOM 0 HD11 LEU A 253 -2.382 -13.636 -0.501 1.00 0.00 H new ATOM 0 HD12 LEU A 253 -4.160 -13.586 -0.534 1.00 0.00 H new ATOM 0 HD13 LEU A 253 -3.221 -12.619 -1.696 1.00 0.00 H new ATOM 0 HD21 LEU A 253 -1.111 -11.773 0.316 1.00 0.00 H new ATOM 0 HD22 LEU A 253 -1.886 -10.632 -0.810 1.00 0.00 H new ATOM 0 HD23 LEU A 253 -1.917 -10.315 0.941 1.00 0.00 H new ATOM 708 N LEU A 254 -7.588 -9.990 -0.190 1.00 0.00 N ATOM 709 CA LEU A 254 -8.598 -8.996 0.032 1.00 0.00 C ATOM 710 C LEU A 254 -9.829 -9.557 0.713 1.00 0.00 C ATOM 711 O LEU A 254 -10.464 -8.875 1.508 1.00 0.00 O ATOM 712 CB LEU A 254 -8.951 -8.331 -1.254 1.00 0.00 C ATOM 713 CG LEU A 254 -7.932 -7.329 -1.704 1.00 0.00 C ATOM 714 CD1 LEU A 254 -8.160 -6.982 -3.124 1.00 0.00 C ATOM 715 CD2 LEU A 254 -8.046 -6.085 -0.870 1.00 0.00 C ATOM 0 H LEU A 254 -7.531 -10.317 -1.155 1.00 0.00 H new ATOM 0 HA LEU A 254 -8.183 -8.255 0.715 1.00 0.00 H new ATOM 0 HB2 LEU A 254 -9.069 -9.090 -2.027 1.00 0.00 H new ATOM 0 HB3 LEU A 254 -9.915 -7.834 -1.145 1.00 0.00 H new ATOM 0 HG LEU A 254 -6.937 -7.760 -1.590 1.00 0.00 H new ATOM 0 HD11 LEU A 254 -7.416 -6.253 -3.444 1.00 0.00 H new ATOM 0 HD12 LEU A 254 -8.076 -7.880 -3.736 1.00 0.00 H new ATOM 0 HD13 LEU A 254 -9.157 -6.557 -3.239 1.00 0.00 H new ATOM 0 HD21 LEU A 254 -7.304 -5.357 -1.199 1.00 0.00 H new ATOM 0 HD22 LEU A 254 -9.044 -5.662 -0.983 1.00 0.00 H new ATOM 0 HD23 LEU A 254 -7.873 -6.332 0.177 1.00 0.00 H new ATOM 727 N THR A 255 -10.167 -10.789 0.427 1.00 0.00 N ATOM 728 CA THR A 255 -11.295 -11.379 1.089 1.00 0.00 C ATOM 729 C THR A 255 -10.923 -11.723 2.546 1.00 0.00 C ATOM 730 O THR A 255 -11.760 -11.628 3.451 1.00 0.00 O ATOM 731 CB THR A 255 -11.897 -12.608 0.310 1.00 0.00 C ATOM 732 OG1 THR A 255 -13.104 -13.047 0.931 1.00 0.00 O ATOM 733 CG2 THR A 255 -10.936 -13.778 0.243 1.00 0.00 C ATOM 0 H THR A 255 -9.688 -11.389 -0.245 1.00 0.00 H new ATOM 0 HA THR A 255 -12.098 -10.642 1.103 1.00 0.00 H new ATOM 0 HB THR A 255 -12.092 -12.265 -0.706 1.00 0.00 H new ATOM 0 HG1 THR A 255 -13.468 -13.810 0.436 1.00 0.00 H new ATOM 0 HG21 THR A 255 -11.400 -14.599 -0.304 1.00 0.00 H new ATOM 0 HG22 THR A 255 -10.024 -13.471 -0.268 1.00 0.00 H new ATOM 0 HG23 THR A 255 -10.693 -14.107 1.253 1.00 0.00 H new ATOM 741 N THR A 256 -9.648 -12.030 2.787 1.00 0.00 N ATOM 742 CA THR A 256 -9.221 -12.349 4.123 1.00 0.00 C ATOM 743 C THR A 256 -8.996 -11.088 4.991 1.00 0.00 C ATOM 744 O THR A 256 -9.557 -10.992 6.085 1.00 0.00 O ATOM 745 CB THR A 256 -8.003 -13.341 4.163 1.00 0.00 C ATOM 746 OG1 THR A 256 -7.707 -13.727 5.503 1.00 0.00 O ATOM 747 CG2 THR A 256 -6.773 -12.749 3.532 1.00 0.00 C ATOM 0 H THR A 256 -8.914 -12.061 2.079 1.00 0.00 H new ATOM 0 HA THR A 256 -10.051 -12.889 4.579 1.00 0.00 H new ATOM 0 HB THR A 256 -8.295 -14.219 3.587 1.00 0.00 H new ATOM 0 HG1 THR A 256 -7.043 -13.113 5.881 1.00 0.00 H new ATOM 0 HG21 THR A 256 -5.956 -13.469 3.582 1.00 0.00 H new ATOM 0 HG22 THR A 256 -6.980 -12.506 2.490 1.00 0.00 H new ATOM 0 HG23 THR A 256 -6.490 -11.842 4.067 1.00 0.00 H new ATOM 755 N PHE A 257 -8.233 -10.099 4.516 1.00 0.00 N ATOM 756 CA PHE A 257 -7.969 -8.949 5.395 1.00 0.00 C ATOM 757 C PHE A 257 -8.611 -7.660 4.885 1.00 0.00 C ATOM 758 O PHE A 257 -8.954 -6.775 5.677 1.00 0.00 O ATOM 759 CB PHE A 257 -6.456 -8.729 5.550 1.00 0.00 C ATOM 760 CG PHE A 257 -5.684 -9.973 5.875 1.00 0.00 C ATOM 761 CD1 PHE A 257 -6.075 -10.801 6.916 1.00 0.00 C ATOM 762 CD2 PHE A 257 -4.590 -10.334 5.110 1.00 0.00 C ATOM 763 CE1 PHE A 257 -5.389 -11.961 7.189 1.00 0.00 C ATOM 764 CE2 PHE A 257 -3.899 -11.496 5.379 1.00 0.00 C ATOM 765 CZ PHE A 257 -4.299 -12.313 6.419 1.00 0.00 C ATOM 0 H PHE A 257 -7.809 -10.063 3.589 1.00 0.00 H new ATOM 0 HA PHE A 257 -8.416 -9.188 6.360 1.00 0.00 H new ATOM 0 HB2 PHE A 257 -6.065 -8.304 4.626 1.00 0.00 H new ATOM 0 HB3 PHE A 257 -6.286 -7.993 6.336 1.00 0.00 H new ATOM 0 HD1 PHE A 257 -6.929 -10.532 7.520 1.00 0.00 H new ATOM 0 HD2 PHE A 257 -4.274 -9.700 4.295 1.00 0.00 H new ATOM 0 HE1 PHE A 257 -5.703 -12.596 8.005 1.00 0.00 H new ATOM 0 HE2 PHE A 257 -3.045 -11.768 4.777 1.00 0.00 H new ATOM 0 HZ PHE A 257 -3.760 -13.225 6.629 1.00 0.00 H new ATOM 775 N GLY A 258 -8.805 -7.588 3.573 1.00 0.00 N ATOM 776 CA GLY A 258 -9.448 -6.439 2.905 1.00 0.00 C ATOM 777 C GLY A 258 -8.850 -5.063 3.201 1.00 0.00 C ATOM 778 O GLY A 258 -9.499 -4.042 2.946 1.00 0.00 O ATOM 0 H GLY A 258 -8.522 -8.326 2.929 1.00 0.00 H new ATOM 0 HA2 GLY A 258 -9.410 -6.604 1.828 1.00 0.00 H new ATOM 0 HA3 GLY A 258 -10.500 -6.423 3.189 1.00 0.00 H new ATOM 782 N SER A 259 -7.633 -5.034 3.675 1.00 0.00 N ATOM 783 CA SER A 259 -7.000 -3.818 4.117 1.00 0.00 C ATOM 784 C SER A 259 -5.530 -3.888 3.809 1.00 0.00 C ATOM 785 O SER A 259 -4.985 -4.989 3.661 1.00 0.00 O ATOM 786 CB SER A 259 -7.212 -3.658 5.636 1.00 0.00 C ATOM 787 OG SER A 259 -6.529 -2.523 6.156 1.00 0.00 O ATOM 0 H SER A 259 -7.046 -5.863 3.767 1.00 0.00 H new ATOM 0 HA SER A 259 -7.436 -2.962 3.602 1.00 0.00 H new ATOM 0 HB2 SER A 259 -8.278 -3.566 5.845 1.00 0.00 H new ATOM 0 HB3 SER A 259 -6.863 -4.556 6.147 1.00 0.00 H new ATOM 0 HG SER A 259 -6.965 -1.705 5.838 1.00 0.00 H new ATOM 793 N LEU A 260 -4.888 -2.741 3.712 1.00 0.00 N ATOM 794 CA LEU A 260 -3.477 -2.719 3.483 1.00 0.00 C ATOM 795 C LEU A 260 -2.750 -2.801 4.825 1.00 0.00 C ATOM 796 O LEU A 260 -1.739 -3.478 4.930 1.00 0.00 O ATOM 797 CB LEU A 260 -3.068 -1.494 2.642 1.00 0.00 C ATOM 798 CG LEU A 260 -1.650 -1.516 2.017 1.00 0.00 C ATOM 799 CD1 LEU A 260 -1.582 -0.521 0.897 1.00 0.00 C ATOM 800 CD2 LEU A 260 -0.566 -1.184 3.038 1.00 0.00 C ATOM 0 H LEU A 260 -5.327 -1.823 3.789 1.00 0.00 H new ATOM 0 HA LEU A 260 -3.183 -3.587 2.894 1.00 0.00 H new ATOM 0 HB2 LEU A 260 -3.793 -1.378 1.836 1.00 0.00 H new ATOM 0 HB3 LEU A 260 -3.148 -0.608 3.272 1.00 0.00 H new ATOM 0 HG LEU A 260 -1.470 -2.526 1.649 1.00 0.00 H new ATOM 0 HD11 LEU A 260 -0.585 -0.536 0.457 1.00 0.00 H new ATOM 0 HD12 LEU A 260 -2.318 -0.779 0.136 1.00 0.00 H new ATOM 0 HD13 LEU A 260 -1.793 0.476 1.283 1.00 0.00 H new ATOM 0 HD21 LEU A 260 0.410 -1.212 2.554 1.00 0.00 H new ATOM 0 HD22 LEU A 260 -0.742 -0.188 3.444 1.00 0.00 H new ATOM 0 HD23 LEU A 260 -0.591 -1.915 3.846 1.00 0.00 H new ATOM 812 N GLU A 261 -3.292 -2.134 5.860 1.00 0.00 N ATOM 813 CA GLU A 261 -2.739 -2.203 7.209 1.00 0.00 C ATOM 814 C GLU A 261 -2.664 -3.637 7.678 1.00 0.00 C ATOM 815 O GLU A 261 -1.624 -4.103 8.103 1.00 0.00 O ATOM 816 CB GLU A 261 -3.575 -1.370 8.190 1.00 0.00 C ATOM 817 CG GLU A 261 -3.357 -1.753 9.629 1.00 0.00 C ATOM 818 CD GLU A 261 -4.074 -0.884 10.614 1.00 0.00 C ATOM 819 OE1 GLU A 261 -5.309 -0.944 10.697 1.00 0.00 O ATOM 820 OE2 GLU A 261 -3.393 -0.136 11.354 1.00 0.00 O ATOM 0 H GLU A 261 -4.117 -1.540 5.778 1.00 0.00 H new ATOM 0 HA GLU A 261 -1.731 -1.789 7.180 1.00 0.00 H new ATOM 0 HB2 GLU A 261 -3.331 -0.316 8.061 1.00 0.00 H new ATOM 0 HB3 GLU A 261 -4.631 -1.485 7.946 1.00 0.00 H new ATOM 0 HG2 GLU A 261 -3.679 -2.785 9.771 1.00 0.00 H new ATOM 0 HG3 GLU A 261 -2.289 -1.720 9.844 1.00 0.00 H new ATOM 827 N GLN A 262 -3.760 -4.335 7.543 1.00 0.00 N ATOM 828 CA GLN A 262 -3.848 -5.724 7.961 1.00 0.00 C ATOM 829 C GLN A 262 -2.923 -6.609 7.129 1.00 0.00 C ATOM 830 O GLN A 262 -2.508 -7.668 7.569 1.00 0.00 O ATOM 831 CB GLN A 262 -5.293 -6.213 7.898 1.00 0.00 C ATOM 832 CG GLN A 262 -6.247 -5.386 8.755 1.00 0.00 C ATOM 833 CD GLN A 262 -5.871 -5.381 10.226 1.00 0.00 C ATOM 834 OE1 GLN A 262 -5.323 -6.352 10.751 1.00 0.00 O ATOM 835 NE2 GLN A 262 -6.115 -4.287 10.884 1.00 0.00 N ATOM 0 H GLN A 262 -4.621 -3.964 7.141 1.00 0.00 H new ATOM 0 HA GLN A 262 -3.516 -5.790 8.997 1.00 0.00 H new ATOM 0 HB2 GLN A 262 -5.633 -6.190 6.863 1.00 0.00 H new ATOM 0 HB3 GLN A 262 -5.332 -7.253 8.223 1.00 0.00 H new ATOM 0 HG2 GLN A 262 -6.262 -4.360 8.386 1.00 0.00 H new ATOM 0 HG3 GLN A 262 -7.258 -5.779 8.645 1.00 0.00 H new ATOM 0 HE21 GLN A 262 -6.570 -3.502 10.418 1.00 0.00 H new ATOM 0 HE22 GLN A 262 -5.851 -4.213 11.866 1.00 0.00 H new ATOM 844 N LEU A 263 -2.607 -6.151 5.938 1.00 0.00 N ATOM 845 CA LEU A 263 -1.752 -6.872 5.018 1.00 0.00 C ATOM 846 C LEU A 263 -0.283 -6.699 5.431 1.00 0.00 C ATOM 847 O LEU A 263 0.458 -7.659 5.519 1.00 0.00 O ATOM 848 CB LEU A 263 -1.972 -6.325 3.606 1.00 0.00 C ATOM 849 CG LEU A 263 -1.923 -7.320 2.445 1.00 0.00 C ATOM 850 CD1 LEU A 263 -0.521 -7.866 2.218 1.00 0.00 C ATOM 851 CD2 LEU A 263 -2.899 -8.449 2.689 1.00 0.00 C ATOM 0 H LEU A 263 -2.940 -5.257 5.576 1.00 0.00 H new ATOM 0 HA LEU A 263 -1.996 -7.934 5.038 1.00 0.00 H new ATOM 0 HB2 LEU A 263 -2.944 -5.831 3.585 1.00 0.00 H new ATOM 0 HB3 LEU A 263 -1.220 -5.557 3.422 1.00 0.00 H new ATOM 0 HG LEU A 263 -2.210 -6.786 1.539 1.00 0.00 H new ATOM 0 HD11 LEU A 263 -0.535 -8.568 1.384 1.00 0.00 H new ATOM 0 HD12 LEU A 263 0.157 -7.044 1.989 1.00 0.00 H new ATOM 0 HD13 LEU A 263 -0.180 -8.378 3.118 1.00 0.00 H new ATOM 0 HD21 LEU A 263 -2.857 -9.152 1.857 1.00 0.00 H new ATOM 0 HD22 LEU A 263 -2.636 -8.964 3.613 1.00 0.00 H new ATOM 0 HD23 LEU A 263 -3.908 -8.046 2.773 1.00 0.00 H new ATOM 863 N ILE A 264 0.116 -5.467 5.697 1.00 0.00 N ATOM 864 CA ILE A 264 1.489 -5.182 6.107 1.00 0.00 C ATOM 865 C ILE A 264 1.728 -5.680 7.539 1.00 0.00 C ATOM 866 O ILE A 264 2.818 -6.137 7.878 1.00 0.00 O ATOM 867 CB ILE A 264 1.862 -3.646 5.891 1.00 0.00 C ATOM 868 CG1 ILE A 264 3.323 -3.278 6.288 1.00 0.00 C ATOM 869 CG2 ILE A 264 0.877 -2.717 6.585 1.00 0.00 C ATOM 870 CD1 ILE A 264 3.574 -3.090 7.785 1.00 0.00 C ATOM 0 H ILE A 264 -0.487 -4.646 5.638 1.00 0.00 H new ATOM 0 HA ILE A 264 2.174 -5.734 5.463 1.00 0.00 H new ATOM 0 HB ILE A 264 1.790 -3.498 4.813 1.00 0.00 H new ATOM 0 HG12 ILE A 264 3.988 -4.060 5.922 1.00 0.00 H new ATOM 0 HG13 ILE A 264 3.600 -2.358 5.773 1.00 0.00 H new ATOM 0 HG21 ILE A 264 1.169 -1.681 6.411 1.00 0.00 H new ATOM 0 HG22 ILE A 264 -0.123 -2.883 6.185 1.00 0.00 H new ATOM 0 HG23 ILE A 264 0.878 -2.920 7.656 1.00 0.00 H new ATOM 0 HD11 ILE A 264 4.621 -2.837 7.949 1.00 0.00 H new ATOM 0 HD12 ILE A 264 2.943 -2.285 8.162 1.00 0.00 H new ATOM 0 HD13 ILE A 264 3.337 -4.014 8.312 1.00 0.00 H new ATOM 882 N ALA A 265 0.687 -5.644 8.358 1.00 0.00 N ATOM 883 CA ALA A 265 0.767 -6.143 9.726 1.00 0.00 C ATOM 884 C ALA A 265 0.719 -7.670 9.742 1.00 0.00 C ATOM 885 O ALA A 265 0.840 -8.299 10.787 1.00 0.00 O ATOM 886 CB ALA A 265 -0.353 -5.567 10.581 1.00 0.00 C ATOM 0 H ALA A 265 -0.227 -5.273 8.099 1.00 0.00 H new ATOM 0 HA ALA A 265 1.718 -5.820 10.149 1.00 0.00 H new ATOM 0 HB1 ALA A 265 -0.271 -5.954 11.597 1.00 0.00 H new ATOM 0 HB2 ALA A 265 -0.274 -4.480 10.600 1.00 0.00 H new ATOM 0 HB3 ALA A 265 -1.317 -5.854 10.160 1.00 0.00 H new ATOM 892 N ALA A 266 0.548 -8.251 8.589 1.00 0.00 N ATOM 893 CA ALA A 266 0.519 -9.665 8.453 1.00 0.00 C ATOM 894 C ALA A 266 1.927 -10.157 8.179 1.00 0.00 C ATOM 895 O ALA A 266 2.666 -9.561 7.396 1.00 0.00 O ATOM 896 CB ALA A 266 -0.429 -10.060 7.335 1.00 0.00 C ATOM 0 H ALA A 266 0.424 -7.744 7.713 1.00 0.00 H new ATOM 0 HA ALA A 266 0.156 -10.124 9.372 1.00 0.00 H new ATOM 0 HB1 ALA A 266 -0.445 -11.146 7.238 1.00 0.00 H new ATOM 0 HB2 ALA A 266 -1.432 -9.702 7.565 1.00 0.00 H new ATOM 0 HB3 ALA A 266 -0.091 -9.617 6.398 1.00 0.00 H new ATOM 902 N SER A 267 2.316 -11.191 8.850 1.00 0.00 N ATOM 903 CA SER A 267 3.615 -11.744 8.662 1.00 0.00 C ATOM 904 C SER A 267 3.518 -12.895 7.663 1.00 0.00 C ATOM 905 O SER A 267 2.418 -13.203 7.176 1.00 0.00 O ATOM 906 CB SER A 267 4.152 -12.214 10.009 1.00 0.00 C ATOM 907 OG SER A 267 4.158 -11.140 10.944 1.00 0.00 O ATOM 0 H SER A 267 1.744 -11.675 9.542 1.00 0.00 H new ATOM 0 HA SER A 267 4.304 -11.000 8.263 1.00 0.00 H new ATOM 0 HB2 SER A 267 3.537 -13.031 10.388 1.00 0.00 H new ATOM 0 HB3 SER A 267 5.162 -12.605 9.888 1.00 0.00 H new ATOM 0 HG SER A 267 4.504 -11.457 11.804 1.00 0.00 H new ATOM 913 N ARG A 268 4.640 -13.528 7.362 1.00 0.00 N ATOM 914 CA ARG A 268 4.694 -14.656 6.434 1.00 0.00 C ATOM 915 C ARG A 268 3.694 -15.770 6.773 1.00 0.00 C ATOM 916 O ARG A 268 3.137 -16.384 5.876 1.00 0.00 O ATOM 917 CB ARG A 268 6.133 -15.190 6.311 1.00 0.00 C ATOM 918 CG ARG A 268 7.007 -14.323 5.414 1.00 0.00 C ATOM 919 CD ARG A 268 8.508 -14.517 5.636 1.00 0.00 C ATOM 920 NE ARG A 268 8.959 -15.923 5.612 1.00 0.00 N ATOM 921 CZ ARG A 268 10.211 -16.330 5.290 1.00 0.00 C ATOM 922 NH1 ARG A 268 11.128 -15.453 4.891 1.00 0.00 N ATOM 923 NH2 ARG A 268 10.538 -17.617 5.402 1.00 0.00 N ATOM 0 H ARG A 268 5.547 -13.275 7.755 1.00 0.00 H new ATOM 0 HA ARG A 268 4.385 -14.278 5.459 1.00 0.00 H new ATOM 0 HB2 ARG A 268 6.581 -15.247 7.303 1.00 0.00 H new ATOM 0 HB3 ARG A 268 6.107 -16.205 5.915 1.00 0.00 H new ATOM 0 HG2 ARG A 268 6.772 -14.543 4.373 1.00 0.00 H new ATOM 0 HG3 ARG A 268 6.757 -13.276 5.583 1.00 0.00 H new ATOM 0 HD2 ARG A 268 9.049 -13.963 4.869 1.00 0.00 H new ATOM 0 HD3 ARG A 268 8.779 -14.079 6.597 1.00 0.00 H new ATOM 0 HE ARG A 268 8.277 -16.641 5.856 1.00 0.00 H new ATOM 0 HH11 ARG A 268 10.892 -14.463 4.825 1.00 0.00 H new ATOM 0 HH12 ARG A 268 12.067 -15.771 4.651 1.00 0.00 H new ATOM 0 HH21 ARG A 268 9.847 -18.292 5.729 1.00 0.00 H new ATOM 0 HH22 ARG A 268 11.479 -17.927 5.161 1.00 0.00 H new ATOM 937 N GLU A 269 3.443 -16.004 8.053 1.00 0.00 N ATOM 938 CA GLU A 269 2.472 -17.028 8.444 1.00 0.00 C ATOM 939 C GLU A 269 1.034 -16.560 8.208 1.00 0.00 C ATOM 940 O GLU A 269 0.171 -17.358 7.890 1.00 0.00 O ATOM 941 CB GLU A 269 2.632 -17.448 9.906 1.00 0.00 C ATOM 942 CG GLU A 269 2.345 -16.346 10.900 1.00 0.00 C ATOM 943 CD GLU A 269 2.407 -16.825 12.311 1.00 0.00 C ATOM 944 OE1 GLU A 269 3.517 -17.028 12.815 1.00 0.00 O ATOM 945 OE2 GLU A 269 1.340 -16.968 12.960 1.00 0.00 O ATOM 0 H GLU A 269 3.886 -15.512 8.829 1.00 0.00 H new ATOM 0 HA GLU A 269 2.675 -17.892 7.812 1.00 0.00 H new ATOM 0 HB2 GLU A 269 1.965 -18.286 10.107 1.00 0.00 H new ATOM 0 HB3 GLU A 269 3.650 -17.806 10.061 1.00 0.00 H new ATOM 0 HG2 GLU A 269 3.064 -15.538 10.761 1.00 0.00 H new ATOM 0 HG3 GLU A 269 1.357 -15.931 10.703 1.00 0.00 H new ATOM 952 N ASP A 270 0.799 -15.258 8.336 1.00 0.00 N ATOM 953 CA ASP A 270 -0.550 -14.687 8.201 1.00 0.00 C ATOM 954 C ASP A 270 -0.929 -14.637 6.740 1.00 0.00 C ATOM 955 O ASP A 270 -2.070 -14.894 6.353 1.00 0.00 O ATOM 956 CB ASP A 270 -0.623 -13.262 8.774 1.00 0.00 C ATOM 957 CG ASP A 270 -0.286 -13.133 10.241 1.00 0.00 C ATOM 958 OD1 ASP A 270 -1.154 -13.357 11.091 1.00 0.00 O ATOM 959 OD2 ASP A 270 0.859 -12.756 10.560 1.00 0.00 O ATOM 0 H ASP A 270 1.525 -14.570 8.534 1.00 0.00 H new ATOM 0 HA ASP A 270 -1.237 -15.322 8.760 1.00 0.00 H new ATOM 0 HB2 ASP A 270 0.055 -12.625 8.206 1.00 0.00 H new ATOM 0 HB3 ASP A 270 -1.630 -12.876 8.615 1.00 0.00 H new ATOM 964 N LEU A 271 0.041 -14.326 5.924 1.00 0.00 N ATOM 965 CA LEU A 271 -0.159 -14.261 4.493 1.00 0.00 C ATOM 966 C LEU A 271 -0.253 -15.675 3.904 1.00 0.00 C ATOM 967 O LEU A 271 -0.861 -15.888 2.872 1.00 0.00 O ATOM 968 CB LEU A 271 0.962 -13.450 3.852 1.00 0.00 C ATOM 969 CG LEU A 271 1.081 -11.996 4.316 1.00 0.00 C ATOM 970 CD1 LEU A 271 2.336 -11.355 3.754 1.00 0.00 C ATOM 971 CD2 LEU A 271 -0.145 -11.204 3.897 1.00 0.00 C ATOM 0 H LEU A 271 0.991 -14.110 6.226 1.00 0.00 H new ATOM 0 HA LEU A 271 -1.101 -13.757 4.278 1.00 0.00 H new ATOM 0 HB2 LEU A 271 1.908 -13.953 4.050 1.00 0.00 H new ATOM 0 HB3 LEU A 271 0.818 -13.456 2.772 1.00 0.00 H new ATOM 0 HG LEU A 271 1.147 -11.989 5.404 1.00 0.00 H new ATOM 0 HD11 LEU A 271 2.401 -10.322 4.096 1.00 0.00 H new ATOM 0 HD12 LEU A 271 3.211 -11.907 4.097 1.00 0.00 H new ATOM 0 HD13 LEU A 271 2.298 -11.375 2.665 1.00 0.00 H new ATOM 0 HD21 LEU A 271 -0.045 -10.172 4.235 1.00 0.00 H new ATOM 0 HD22 LEU A 271 -0.237 -11.223 2.811 1.00 0.00 H new ATOM 0 HD23 LEU A 271 -1.035 -11.647 4.344 1.00 0.00 H new ATOM 983 N ALA A 272 0.338 -16.641 4.592 1.00 0.00 N ATOM 984 CA ALA A 272 0.233 -18.035 4.177 1.00 0.00 C ATOM 985 C ALA A 272 -1.026 -18.669 4.773 1.00 0.00 C ATOM 986 O ALA A 272 -1.436 -19.769 4.387 1.00 0.00 O ATOM 987 CB ALA A 272 1.472 -18.815 4.597 1.00 0.00 C ATOM 0 H ALA A 272 0.892 -16.489 5.435 1.00 0.00 H new ATOM 0 HA ALA A 272 0.161 -18.069 3.090 1.00 0.00 H new ATOM 0 HB1 ALA A 272 1.374 -19.853 4.278 1.00 0.00 H new ATOM 0 HB2 ALA A 272 2.354 -18.374 4.132 1.00 0.00 H new ATOM 0 HB3 ALA A 272 1.576 -18.777 5.681 1.00 0.00 H new ATOM 993 N LEU A 273 -1.610 -17.976 5.735 1.00 0.00 N ATOM 994 CA LEU A 273 -2.832 -18.375 6.407 1.00 0.00 C ATOM 995 C LEU A 273 -4.027 -18.147 5.501 1.00 0.00 C ATOM 996 O LEU A 273 -5.050 -18.848 5.608 1.00 0.00 O ATOM 997 CB LEU A 273 -2.985 -17.520 7.645 1.00 0.00 C ATOM 998 CG LEU A 273 -4.278 -17.630 8.402 1.00 0.00 C ATOM 999 CD1 LEU A 273 -4.361 -18.931 9.161 1.00 0.00 C ATOM 1000 CD2 LEU A 273 -4.442 -16.430 9.283 1.00 0.00 C ATOM 0 H LEU A 273 -1.234 -17.093 6.080 1.00 0.00 H new ATOM 0 HA LEU A 273 -2.782 -19.433 6.665 1.00 0.00 H new ATOM 0 HB2 LEU A 273 -2.172 -17.767 8.328 1.00 0.00 H new ATOM 0 HB3 LEU A 273 -2.852 -16.478 7.354 1.00 0.00 H new ATOM 0 HG LEU A 273 -5.111 -17.644 7.699 1.00 0.00 H new ATOM 0 HD11 LEU A 273 -5.308 -18.979 9.698 1.00 0.00 H new ATOM 0 HD12 LEU A 273 -4.297 -19.765 8.462 1.00 0.00 H new ATOM 0 HD13 LEU A 273 -3.537 -18.990 9.872 1.00 0.00 H new ATOM 0 HD21 LEU A 273 -5.380 -16.508 9.833 1.00 0.00 H new ATOM 0 HD22 LEU A 273 -3.611 -16.379 9.987 1.00 0.00 H new ATOM 0 HD23 LEU A 273 -4.454 -15.528 8.671 1.00 0.00 H new ATOM 1012 N CYS A 274 -3.902 -17.131 4.657 1.00 0.00 N ATOM 1013 CA CYS A 274 -4.904 -16.775 3.652 1.00 0.00 C ATOM 1014 C CYS A 274 -5.397 -18.045 2.944 1.00 0.00 C ATOM 1015 O CYS A 274 -4.573 -18.870 2.504 1.00 0.00 O ATOM 1016 CB CYS A 274 -4.287 -15.806 2.652 1.00 0.00 C ATOM 1017 SG CYS A 274 -3.627 -14.301 3.409 1.00 0.00 S ATOM 0 H CYS A 274 -3.087 -16.518 4.649 1.00 0.00 H new ATOM 0 HA CYS A 274 -5.757 -16.293 4.130 1.00 0.00 H new ATOM 0 HB2 CYS A 274 -3.486 -16.313 2.115 1.00 0.00 H new ATOM 0 HB3 CYS A 274 -5.041 -15.531 1.914 1.00 0.00 H new ATOM 0 HG CYS A 274 -3.102 -14.590 4.563 1.00 0.00 H new ATOM 1023 N PRO A 275 -6.735 -18.230 2.852 1.00 0.00 N ATOM 1024 CA PRO A 275 -7.332 -19.496 2.408 1.00 0.00 C ATOM 1025 C PRO A 275 -6.826 -19.967 1.055 1.00 0.00 C ATOM 1026 O PRO A 275 -7.071 -19.322 0.024 1.00 0.00 O ATOM 1027 CB PRO A 275 -8.840 -19.192 2.343 1.00 0.00 C ATOM 1028 CG PRO A 275 -8.941 -17.701 2.353 1.00 0.00 C ATOM 1029 CD PRO A 275 -7.761 -17.213 3.135 1.00 0.00 C ATOM 0 HA PRO A 275 -7.073 -20.306 3.089 1.00 0.00 H new ATOM 0 HB2 PRO A 275 -9.287 -19.611 1.442 1.00 0.00 H new ATOM 0 HB3 PRO A 275 -9.366 -19.628 3.192 1.00 0.00 H new ATOM 0 HG2 PRO A 275 -8.929 -17.302 1.339 1.00 0.00 H new ATOM 0 HG3 PRO A 275 -9.875 -17.376 2.812 1.00 0.00 H new ATOM 0 HD2 PRO A 275 -7.446 -16.221 2.813 1.00 0.00 H new ATOM 0 HD3 PRO A 275 -7.982 -17.147 4.200 1.00 0.00 H new ATOM 1037 N GLY A 276 -6.138 -21.118 1.090 1.00 0.00 N ATOM 1038 CA GLY A 276 -5.584 -21.772 -0.087 1.00 0.00 C ATOM 1039 C GLY A 276 -4.924 -20.823 -1.061 1.00 0.00 C ATOM 1040 O GLY A 276 -5.281 -20.805 -2.250 1.00 0.00 O ATOM 0 H GLY A 276 -5.952 -21.623 1.957 1.00 0.00 H new ATOM 0 HA2 GLY A 276 -4.854 -22.515 0.232 1.00 0.00 H new ATOM 0 HA3 GLY A 276 -6.381 -22.309 -0.601 1.00 0.00 H new ATOM 1044 N LEU A 277 -3.991 -20.027 -0.596 1.00 0.00 N ATOM 1045 CA LEU A 277 -3.433 -19.054 -1.483 1.00 0.00 C ATOM 1046 C LEU A 277 -1.964 -19.305 -1.783 1.00 0.00 C ATOM 1047 O LEU A 277 -1.592 -19.429 -2.956 1.00 0.00 O ATOM 1048 CB LEU A 277 -3.649 -17.658 -0.809 1.00 0.00 C ATOM 1049 CG LEU A 277 -3.060 -16.381 -1.454 1.00 0.00 C ATOM 1050 CD1 LEU A 277 -1.545 -16.228 -1.209 1.00 0.00 C ATOM 1051 CD2 LEU A 277 -3.387 -16.328 -2.935 1.00 0.00 C ATOM 0 H LEU A 277 -3.619 -20.035 0.354 1.00 0.00 H new ATOM 0 HA LEU A 277 -3.930 -19.107 -2.452 1.00 0.00 H new ATOM 0 HB2 LEU A 277 -4.725 -17.507 -0.717 1.00 0.00 H new ATOM 0 HB3 LEU A 277 -3.249 -17.723 0.203 1.00 0.00 H new ATOM 0 HG LEU A 277 -3.534 -15.532 -0.962 1.00 0.00 H new ATOM 0 HD11 LEU A 277 -1.190 -15.314 -1.685 1.00 0.00 H new ATOM 0 HD12 LEU A 277 -1.353 -16.177 -0.137 1.00 0.00 H new ATOM 0 HD13 LEU A 277 -1.020 -17.085 -1.631 1.00 0.00 H new ATOM 0 HD21 LEU A 277 -2.964 -15.422 -3.369 1.00 0.00 H new ATOM 0 HD22 LEU A 277 -2.964 -17.201 -3.432 1.00 0.00 H new ATOM 0 HD23 LEU A 277 -4.469 -16.323 -3.069 1.00 0.00 H new ATOM 1063 N GLY A 278 -1.136 -19.438 -0.781 1.00 0.00 N ATOM 1064 CA GLY A 278 0.241 -19.656 -1.089 1.00 0.00 C ATOM 1065 C GLY A 278 1.171 -19.332 0.042 1.00 0.00 C ATOM 1066 O GLY A 278 1.048 -18.266 0.638 1.00 0.00 O ATOM 0 H GLY A 278 -1.379 -19.401 0.209 1.00 0.00 H new ATOM 0 HA2 GLY A 278 0.380 -20.699 -1.374 1.00 0.00 H new ATOM 0 HA3 GLY A 278 0.511 -19.050 -1.954 1.00 0.00 H new ATOM 1070 N PRO A 279 2.120 -20.183 0.377 1.00 0.00 N ATOM 1071 CA PRO A 279 3.121 -19.830 1.366 1.00 0.00 C ATOM 1072 C PRO A 279 4.234 -18.953 0.744 1.00 0.00 C ATOM 1073 O PRO A 279 4.791 -18.053 1.394 1.00 0.00 O ATOM 1074 CB PRO A 279 3.673 -21.184 1.792 1.00 0.00 C ATOM 1075 CG PRO A 279 3.556 -22.009 0.549 1.00 0.00 C ATOM 1076 CD PRO A 279 2.265 -21.584 -0.088 1.00 0.00 C ATOM 0 HA PRO A 279 2.718 -19.247 2.194 1.00 0.00 H new ATOM 0 HB2 PRO A 279 4.707 -21.109 2.129 1.00 0.00 H new ATOM 0 HB3 PRO A 279 3.100 -21.612 2.614 1.00 0.00 H new ATOM 0 HG2 PRO A 279 4.400 -21.836 -0.119 1.00 0.00 H new ATOM 0 HG3 PRO A 279 3.548 -23.074 0.783 1.00 0.00 H new ATOM 0 HD2 PRO A 279 2.309 -21.648 -1.175 1.00 0.00 H new ATOM 0 HD3 PRO A 279 1.430 -22.206 0.234 1.00 0.00 H new ATOM 1084 N GLN A 280 4.510 -19.186 -0.532 1.00 0.00 N ATOM 1085 CA GLN A 280 5.547 -18.474 -1.238 1.00 0.00 C ATOM 1086 C GLN A 280 5.165 -17.087 -1.513 1.00 0.00 C ATOM 1087 O GLN A 280 6.020 -16.205 -1.561 1.00 0.00 O ATOM 1088 CB GLN A 280 5.912 -19.162 -2.511 1.00 0.00 C ATOM 1089 CG GLN A 280 6.770 -20.338 -2.285 1.00 0.00 C ATOM 1090 CD GLN A 280 8.144 -19.994 -1.722 1.00 0.00 C ATOM 1091 OE1 GLN A 280 8.676 -18.846 -2.073 1.00 0.00 O flip ATOM 1092 NE2 GLN A 280 8.729 -20.779 -0.982 1.00 0.00 N flip ATOM 0 H GLN A 280 4.017 -19.875 -1.100 1.00 0.00 H new ATOM 0 HA GLN A 280 6.419 -18.465 -0.584 1.00 0.00 H new ATOM 0 HB2 GLN A 280 5.003 -19.472 -3.027 1.00 0.00 H new ATOM 0 HB3 GLN A 280 6.427 -18.460 -3.166 1.00 0.00 H new ATOM 0 HG2 GLN A 280 6.266 -21.018 -1.599 1.00 0.00 H new ATOM 0 HG3 GLN A 280 6.896 -20.871 -3.227 1.00 0.00 H new ATOM 0 HE21 GLN A 280 8.290 -21.663 -0.727 1.00 0.00 H new ATOM 0 HE22 GLN A 280 9.655 -20.547 -0.622 1.00 0.00 H new ATOM 1101 N LYS A 281 3.886 -16.869 -1.671 1.00 0.00 N ATOM 1102 CA LYS A 281 3.418 -15.557 -1.948 1.00 0.00 C ATOM 1103 C LYS A 281 3.687 -14.673 -0.746 1.00 0.00 C ATOM 1104 O LYS A 281 4.161 -13.554 -0.882 1.00 0.00 O ATOM 1105 CB LYS A 281 1.940 -15.530 -2.330 1.00 0.00 C ATOM 1106 CG LYS A 281 1.573 -16.409 -3.520 1.00 0.00 C ATOM 1107 CD LYS A 281 2.493 -16.169 -4.709 1.00 0.00 C ATOM 1108 CE LYS A 281 2.043 -16.949 -5.923 1.00 0.00 C ATOM 1109 NZ LYS A 281 0.821 -16.387 -6.508 1.00 0.00 N ATOM 0 H LYS A 281 3.162 -17.585 -1.611 1.00 0.00 H new ATOM 0 HA LYS A 281 3.960 -15.178 -2.814 1.00 0.00 H new ATOM 0 HB2 LYS A 281 1.350 -15.844 -1.469 1.00 0.00 H new ATOM 0 HB3 LYS A 281 1.655 -14.502 -2.554 1.00 0.00 H new ATOM 0 HG2 LYS A 281 1.625 -17.457 -3.227 1.00 0.00 H new ATOM 0 HG3 LYS A 281 0.542 -16.211 -3.813 1.00 0.00 H new ATOM 0 HD2 LYS A 281 2.514 -15.105 -4.946 1.00 0.00 H new ATOM 0 HD3 LYS A 281 3.511 -16.457 -4.447 1.00 0.00 H new ATOM 0 HE2 LYS A 281 2.837 -16.949 -6.670 1.00 0.00 H new ATOM 0 HE3 LYS A 281 1.868 -17.988 -5.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 281 0.591 -16.895 -7.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 281 0.036 -16.487 -5.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 281 0.969 -15.380 -6.720 1.00 0.00 H new ATOM 1123 N ALA A 282 3.450 -15.246 0.432 1.00 0.00 N ATOM 1124 CA ALA A 282 3.699 -14.613 1.705 1.00 0.00 C ATOM 1125 C ALA A 282 5.158 -14.200 1.822 1.00 0.00 C ATOM 1126 O ALA A 282 5.469 -13.118 2.315 1.00 0.00 O ATOM 1127 CB ALA A 282 3.368 -15.592 2.803 1.00 0.00 C ATOM 0 H ALA A 282 3.069 -16.188 0.519 1.00 0.00 H new ATOM 0 HA ALA A 282 3.079 -13.721 1.789 1.00 0.00 H new ATOM 0 HB1 ALA A 282 3.551 -15.128 3.772 1.00 0.00 H new ATOM 0 HB2 ALA A 282 2.319 -15.879 2.731 1.00 0.00 H new ATOM 0 HB3 ALA A 282 3.994 -16.478 2.701 1.00 0.00 H new ATOM 1133 N ARG A 283 6.045 -15.075 1.362 1.00 0.00 N ATOM 1134 CA ARG A 283 7.485 -14.813 1.399 1.00 0.00 C ATOM 1135 C ARG A 283 7.792 -13.568 0.554 1.00 0.00 C ATOM 1136 O ARG A 283 8.439 -12.626 1.023 1.00 0.00 O ATOM 1137 CB ARG A 283 8.282 -16.002 0.817 1.00 0.00 C ATOM 1138 CG ARG A 283 7.855 -17.386 1.300 1.00 0.00 C ATOM 1139 CD ARG A 283 7.887 -17.519 2.799 1.00 0.00 C ATOM 1140 NE ARG A 283 7.498 -18.864 3.225 1.00 0.00 N ATOM 1141 CZ ARG A 283 6.633 -19.156 4.202 1.00 0.00 C ATOM 1142 NH1 ARG A 283 5.834 -18.214 4.702 1.00 0.00 N ATOM 1143 NH2 ARG A 283 6.503 -20.408 4.605 1.00 0.00 N ATOM 0 H ARG A 283 5.794 -15.977 0.957 1.00 0.00 H new ATOM 0 HA ARG A 283 7.777 -14.663 2.438 1.00 0.00 H new ATOM 0 HB2 ARG A 283 8.198 -15.975 -0.269 1.00 0.00 H new ATOM 0 HB3 ARG A 283 9.336 -15.862 1.059 1.00 0.00 H new ATOM 0 HG2 ARG A 283 6.846 -17.595 0.943 1.00 0.00 H new ATOM 0 HG3 ARG A 283 8.511 -18.137 0.860 1.00 0.00 H new ATOM 0 HD2 ARG A 283 8.890 -17.296 3.164 1.00 0.00 H new ATOM 0 HD3 ARG A 283 7.215 -16.786 3.245 1.00 0.00 H new ATOM 0 HE ARG A 283 7.925 -19.649 2.733 1.00 0.00 H new ATOM 0 HH11 ARG A 283 5.879 -17.262 4.340 1.00 0.00 H new ATOM 0 HH12 ARG A 283 5.177 -18.445 5.447 1.00 0.00 H new ATOM 0 HH21 ARG A 283 7.060 -21.144 4.171 1.00 0.00 H new ATOM 0 HH22 ARG A 283 5.845 -20.638 5.350 1.00 0.00 H new ATOM 1157 N ARG A 284 7.276 -13.566 -0.674 1.00 0.00 N ATOM 1158 CA ARG A 284 7.519 -12.486 -1.634 1.00 0.00 C ATOM 1159 C ARG A 284 6.922 -11.160 -1.135 1.00 0.00 C ATOM 1160 O ARG A 284 7.547 -10.102 -1.250 1.00 0.00 O ATOM 1161 CB ARG A 284 6.900 -12.823 -2.994 1.00 0.00 C ATOM 1162 CG ARG A 284 7.222 -14.197 -3.563 1.00 0.00 C ATOM 1163 CD ARG A 284 8.706 -14.475 -3.650 1.00 0.00 C ATOM 1164 NE ARG A 284 8.960 -15.747 -4.341 1.00 0.00 N ATOM 1165 CZ ARG A 284 10.166 -16.282 -4.563 1.00 0.00 C ATOM 1166 NH1 ARG A 284 11.251 -15.763 -3.996 1.00 0.00 N ATOM 1167 NH2 ARG A 284 10.275 -17.370 -5.312 1.00 0.00 N ATOM 0 H ARG A 284 6.678 -14.311 -1.033 1.00 0.00 H new ATOM 0 HA ARG A 284 8.599 -12.379 -1.738 1.00 0.00 H new ATOM 0 HB2 ARG A 284 5.817 -12.734 -2.908 1.00 0.00 H new ATOM 0 HB3 ARG A 284 7.225 -12.071 -3.713 1.00 0.00 H new ATOM 0 HG2 ARG A 284 6.752 -14.959 -2.941 1.00 0.00 H new ATOM 0 HG3 ARG A 284 6.784 -14.283 -4.558 1.00 0.00 H new ATOM 0 HD2 ARG A 284 9.202 -13.662 -4.181 1.00 0.00 H new ATOM 0 HD3 ARG A 284 9.133 -14.509 -2.648 1.00 0.00 H new ATOM 0 HE ARG A 284 8.149 -16.265 -4.680 1.00 0.00 H new ATOM 0 HH11 ARG A 284 11.168 -14.950 -3.386 1.00 0.00 H new ATOM 0 HH12 ARG A 284 12.166 -16.178 -4.171 1.00 0.00 H new ATOM 0 HH21 ARG A 284 9.441 -17.796 -5.717 1.00 0.00 H new ATOM 0 HH22 ARG A 284 11.193 -17.781 -5.484 1.00 0.00 H new ATOM 1181 N LEU A 285 5.710 -11.240 -0.604 1.00 0.00 N ATOM 1182 CA LEU A 285 4.996 -10.087 -0.050 1.00 0.00 C ATOM 1183 C LEU A 285 5.756 -9.454 1.085 1.00 0.00 C ATOM 1184 O LEU A 285 6.000 -8.263 1.073 1.00 0.00 O ATOM 1185 CB LEU A 285 3.613 -10.506 0.429 1.00 0.00 C ATOM 1186 CG LEU A 285 2.574 -10.773 -0.650 1.00 0.00 C ATOM 1187 CD1 LEU A 285 1.448 -11.599 -0.077 1.00 0.00 C ATOM 1188 CD2 LEU A 285 2.016 -9.454 -1.169 1.00 0.00 C ATOM 0 H LEU A 285 5.186 -12.113 -0.543 1.00 0.00 H new ATOM 0 HA LEU A 285 4.900 -9.348 -0.845 1.00 0.00 H new ATOM 0 HB2 LEU A 285 3.719 -11.408 1.031 1.00 0.00 H new ATOM 0 HB3 LEU A 285 3.229 -9.727 1.087 1.00 0.00 H new ATOM 0 HG LEU A 285 3.045 -11.315 -1.470 1.00 0.00 H new ATOM 0 HD11 LEU A 285 0.705 -11.789 -0.852 1.00 0.00 H new ATOM 0 HD12 LEU A 285 1.842 -12.547 0.288 1.00 0.00 H new ATOM 0 HD13 LEU A 285 0.983 -11.058 0.747 1.00 0.00 H new ATOM 0 HD21 LEU A 285 1.273 -9.652 -1.941 1.00 0.00 H new ATOM 0 HD22 LEU A 285 1.550 -8.908 -0.349 1.00 0.00 H new ATOM 0 HD23 LEU A 285 2.825 -8.857 -1.589 1.00 0.00 H new ATOM 1200 N PHE A 286 6.163 -10.269 2.043 1.00 0.00 N ATOM 1201 CA PHE A 286 6.885 -9.789 3.216 1.00 0.00 C ATOM 1202 C PHE A 286 8.173 -9.066 2.777 1.00 0.00 C ATOM 1203 O PHE A 286 8.587 -8.065 3.378 1.00 0.00 O ATOM 1204 CB PHE A 286 7.222 -10.981 4.123 1.00 0.00 C ATOM 1205 CG PHE A 286 7.684 -10.598 5.488 1.00 0.00 C ATOM 1206 CD1 PHE A 286 6.757 -10.333 6.470 1.00 0.00 C ATOM 1207 CD2 PHE A 286 9.032 -10.501 5.792 1.00 0.00 C ATOM 1208 CE1 PHE A 286 7.153 -9.975 7.731 1.00 0.00 C ATOM 1209 CE2 PHE A 286 9.441 -10.142 7.057 1.00 0.00 C ATOM 1210 CZ PHE A 286 8.500 -9.877 8.031 1.00 0.00 C ATOM 0 H PHE A 286 6.005 -11.277 2.033 1.00 0.00 H new ATOM 0 HA PHE A 286 6.264 -9.084 3.768 1.00 0.00 H new ATOM 0 HB2 PHE A 286 6.340 -11.615 4.215 1.00 0.00 H new ATOM 0 HB3 PHE A 286 7.996 -11.580 3.644 1.00 0.00 H new ATOM 0 HD1 PHE A 286 5.704 -10.408 6.243 1.00 0.00 H new ATOM 0 HD2 PHE A 286 9.769 -10.709 5.030 1.00 0.00 H new ATOM 0 HE1 PHE A 286 6.414 -9.769 8.491 1.00 0.00 H new ATOM 0 HE2 PHE A 286 10.494 -10.068 7.286 1.00 0.00 H new ATOM 0 HZ PHE A 286 8.814 -9.594 9.025 1.00 0.00 H new ATOM 1220 N ASP A 287 8.762 -9.555 1.685 1.00 0.00 N ATOM 1221 CA ASP A 287 9.977 -8.971 1.141 1.00 0.00 C ATOM 1222 C ASP A 287 9.721 -7.552 0.685 1.00 0.00 C ATOM 1223 O ASP A 287 10.381 -6.632 1.136 1.00 0.00 O ATOM 1224 CB ASP A 287 10.513 -9.785 -0.030 1.00 0.00 C ATOM 1225 CG ASP A 287 11.860 -9.284 -0.514 1.00 0.00 C ATOM 1226 OD1 ASP A 287 12.850 -9.409 0.231 1.00 0.00 O ATOM 1227 OD2 ASP A 287 11.952 -8.753 -1.650 1.00 0.00 O ATOM 0 H ASP A 287 8.411 -10.357 1.162 1.00 0.00 H new ATOM 0 HA ASP A 287 10.723 -8.974 1.936 1.00 0.00 H new ATOM 0 HB2 ASP A 287 10.603 -10.830 0.268 1.00 0.00 H new ATOM 0 HB3 ASP A 287 9.798 -9.748 -0.852 1.00 0.00 H new ATOM 1232 N VAL A 288 8.706 -7.363 -0.155 1.00 0.00 N ATOM 1233 CA VAL A 288 8.411 -6.031 -0.686 1.00 0.00 C ATOM 1234 C VAL A 288 7.951 -5.089 0.415 1.00 0.00 C ATOM 1235 O VAL A 288 8.132 -3.901 0.326 1.00 0.00 O ATOM 1236 CB VAL A 288 7.380 -6.034 -1.858 1.00 0.00 C ATOM 1237 CG1 VAL A 288 7.833 -6.948 -2.981 1.00 0.00 C ATOM 1238 CG2 VAL A 288 5.978 -6.390 -1.395 1.00 0.00 C ATOM 0 H VAL A 288 8.082 -8.101 -0.480 1.00 0.00 H new ATOM 0 HA VAL A 288 9.352 -5.670 -1.101 1.00 0.00 H new ATOM 0 HB VAL A 288 7.336 -5.015 -2.243 1.00 0.00 H new ATOM 0 HG11 VAL A 288 7.096 -6.931 -3.784 1.00 0.00 H new ATOM 0 HG12 VAL A 288 8.794 -6.605 -3.364 1.00 0.00 H new ATOM 0 HG13 VAL A 288 7.934 -7.966 -2.603 1.00 0.00 H new ATOM 0 HG21 VAL A 288 5.299 -6.378 -2.248 1.00 0.00 H new ATOM 0 HG22 VAL A 288 5.984 -7.385 -0.950 1.00 0.00 H new ATOM 0 HG23 VAL A 288 5.644 -5.663 -0.655 1.00 0.00 H new ATOM 1248 N LEU A 289 7.393 -5.642 1.463 1.00 0.00 N ATOM 1249 CA LEU A 289 6.930 -4.851 2.572 1.00 0.00 C ATOM 1250 C LEU A 289 8.096 -4.329 3.423 1.00 0.00 C ATOM 1251 O LEU A 289 8.004 -3.246 4.003 1.00 0.00 O ATOM 1252 CB LEU A 289 5.938 -5.654 3.421 1.00 0.00 C ATOM 1253 CG LEU A 289 4.650 -6.095 2.701 1.00 0.00 C ATOM 1254 CD1 LEU A 289 3.826 -7.013 3.576 1.00 0.00 C ATOM 1255 CD2 LEU A 289 3.822 -4.892 2.274 1.00 0.00 C ATOM 0 H LEU A 289 7.248 -6.646 1.570 1.00 0.00 H new ATOM 0 HA LEU A 289 6.414 -3.979 2.171 1.00 0.00 H new ATOM 0 HB2 LEU A 289 6.445 -6.543 3.797 1.00 0.00 H new ATOM 0 HB3 LEU A 289 5.661 -5.054 4.288 1.00 0.00 H new ATOM 0 HG LEU A 289 4.945 -6.644 1.807 1.00 0.00 H new ATOM 0 HD11 LEU A 289 2.922 -7.309 3.043 1.00 0.00 H new ATOM 0 HD12 LEU A 289 4.409 -7.900 3.823 1.00 0.00 H new ATOM 0 HD13 LEU A 289 3.552 -6.492 4.493 1.00 0.00 H new ATOM 0 HD21 LEU A 289 2.919 -5.233 1.768 1.00 0.00 H new ATOM 0 HD22 LEU A 289 3.548 -4.309 3.153 1.00 0.00 H new ATOM 0 HD23 LEU A 289 4.406 -4.271 1.594 1.00 0.00 H new ATOM 1267 N HIS A 290 9.207 -5.067 3.457 1.00 0.00 N ATOM 1268 CA HIS A 290 10.328 -4.677 4.309 1.00 0.00 C ATOM 1269 C HIS A 290 11.512 -4.128 3.530 1.00 0.00 C ATOM 1270 O HIS A 290 12.413 -3.498 4.105 1.00 0.00 O ATOM 1271 CB HIS A 290 10.752 -5.813 5.251 1.00 0.00 C ATOM 1272 CG HIS A 290 9.812 -6.024 6.411 1.00 0.00 C ATOM 1273 ND1 HIS A 290 10.170 -5.827 7.726 1.00 0.00 N ATOM 1274 CD2 HIS A 290 8.513 -6.421 6.438 1.00 0.00 C ATOM 1275 CE1 HIS A 290 9.117 -6.100 8.493 1.00 0.00 C ATOM 1276 NE2 HIS A 290 8.074 -6.465 7.764 1.00 0.00 N ATOM 0 H HIS A 290 9.353 -5.920 2.917 1.00 0.00 H new ATOM 0 HA HIS A 290 9.961 -3.855 4.923 1.00 0.00 H new ATOM 0 HB2 HIS A 290 10.823 -6.739 4.680 1.00 0.00 H new ATOM 0 HB3 HIS A 290 11.749 -5.599 5.637 1.00 0.00 H new ATOM 0 HD2 HIS A 290 7.915 -6.664 5.572 1.00 0.00 H new ATOM 0 HE1 HIS A 290 9.114 -6.032 9.571 1.00 0.00 H new ATOM 0 HE2 HIS A 290 7.146 -6.724 8.099 1.00 0.00 H new ATOM 1284 N GLU A 291 11.515 -4.342 2.252 1.00 0.00 N ATOM 1285 CA GLU A 291 12.548 -3.852 1.394 1.00 0.00 C ATOM 1286 C GLU A 291 12.364 -2.379 1.128 1.00 0.00 C ATOM 1287 O GLU A 291 11.239 -1.910 0.973 1.00 0.00 O ATOM 1288 CB GLU A 291 12.560 -4.623 0.081 1.00 0.00 C ATOM 1289 CG GLU A 291 13.329 -5.924 0.130 1.00 0.00 C ATOM 1290 CD GLU A 291 14.793 -5.736 0.476 1.00 0.00 C ATOM 1291 OE1 GLU A 291 15.517 -5.017 -0.254 1.00 0.00 O ATOM 1292 OE2 GLU A 291 15.268 -6.336 1.472 1.00 0.00 O ATOM 0 H GLU A 291 10.789 -4.870 1.768 1.00 0.00 H new ATOM 0 HA GLU A 291 13.505 -3.998 1.895 1.00 0.00 H new ATOM 0 HB2 GLU A 291 11.532 -4.833 -0.213 1.00 0.00 H new ATOM 0 HB3 GLU A 291 12.990 -3.989 -0.695 1.00 0.00 H new ATOM 0 HG2 GLU A 291 12.869 -6.583 0.866 1.00 0.00 H new ATOM 0 HG3 GLU A 291 13.251 -6.422 -0.836 1.00 0.00 H new ATOM 1299 N PRO A 292 13.458 -1.619 1.093 1.00 0.00 N ATOM 1300 CA PRO A 292 13.391 -0.220 0.797 1.00 0.00 C ATOM 1301 C PRO A 292 13.084 -0.001 -0.672 1.00 0.00 C ATOM 1302 O PRO A 292 13.350 -0.885 -1.514 1.00 0.00 O ATOM 1303 CB PRO A 292 14.779 0.322 1.139 1.00 0.00 C ATOM 1304 CG PRO A 292 15.681 -0.856 1.154 1.00 0.00 C ATOM 1305 CD PRO A 292 14.829 -2.081 1.328 1.00 0.00 C ATOM 0 HA PRO A 292 12.604 0.281 1.360 1.00 0.00 H new ATOM 0 HB2 PRO A 292 15.105 1.055 0.401 1.00 0.00 H new ATOM 0 HB3 PRO A 292 14.775 0.824 2.107 1.00 0.00 H new ATOM 0 HG2 PRO A 292 16.250 -0.914 0.226 1.00 0.00 H new ATOM 0 HG3 PRO A 292 16.404 -0.774 1.966 1.00 0.00 H new ATOM 0 HD2 PRO A 292 15.110 -2.862 0.621 1.00 0.00 H new ATOM 0 HD3 PRO A 292 14.939 -2.501 2.328 1.00 0.00 H new ATOM 1313 N PHE A 293 12.568 1.159 -0.993 1.00 0.00 N ATOM 1314 CA PHE A 293 12.197 1.462 -2.351 1.00 0.00 C ATOM 1315 C PHE A 293 13.452 1.671 -3.147 1.00 0.00 C ATOM 1316 O PHE A 293 13.568 1.207 -4.264 1.00 0.00 O ATOM 1317 CB PHE A 293 11.350 2.728 -2.434 1.00 0.00 C ATOM 1318 CG PHE A 293 10.228 2.808 -1.432 1.00 0.00 C ATOM 1319 CD1 PHE A 293 9.144 1.969 -1.513 1.00 0.00 C ATOM 1320 CD2 PHE A 293 10.263 3.741 -0.422 1.00 0.00 C ATOM 1321 CE1 PHE A 293 8.115 2.057 -0.605 1.00 0.00 C ATOM 1322 CE2 PHE A 293 9.235 3.847 0.489 1.00 0.00 C ATOM 1323 CZ PHE A 293 8.157 3.000 0.395 1.00 0.00 C ATOM 0 H PHE A 293 12.395 1.912 -0.328 1.00 0.00 H new ATOM 0 HA PHE A 293 11.608 0.633 -2.743 1.00 0.00 H new ATOM 0 HB2 PHE A 293 12.000 3.592 -2.299 1.00 0.00 H new ATOM 0 HB3 PHE A 293 10.928 2.800 -3.436 1.00 0.00 H new ATOM 0 HD1 PHE A 293 9.099 1.231 -2.300 1.00 0.00 H new ATOM 0 HD2 PHE A 293 11.112 4.403 -0.342 1.00 0.00 H new ATOM 0 HE1 PHE A 293 7.273 1.385 -0.677 1.00 0.00 H new ATOM 0 HE2 PHE A 293 9.276 4.590 1.271 1.00 0.00 H new ATOM 0 HZ PHE A 293 7.346 3.075 1.104 1.00 0.00 H new ATOM 1333 N LEU A 294 14.422 2.315 -2.511 1.00 0.00 N ATOM 1334 CA LEU A 294 15.698 2.632 -3.140 1.00 0.00 C ATOM 1335 C LEU A 294 16.618 1.407 -3.140 1.00 0.00 C ATOM 1336 O LEU A 294 17.773 1.506 -3.534 1.00 0.00 O ATOM 1337 CB LEU A 294 16.413 3.751 -2.372 1.00 0.00 C ATOM 1338 CG LEU A 294 15.632 5.030 -2.070 1.00 0.00 C ATOM 1339 CD1 LEU A 294 16.466 5.951 -1.206 1.00 0.00 C ATOM 1340 CD2 LEU A 294 15.235 5.734 -3.341 1.00 0.00 C ATOM 0 H LEU A 294 14.347 2.632 -1.545 1.00 0.00 H new ATOM 0 HA LEU A 294 15.488 2.947 -4.162 1.00 0.00 H new ATOM 0 HB2 LEU A 294 16.756 3.338 -1.423 1.00 0.00 H new ATOM 0 HB3 LEU A 294 17.302 4.029 -2.938 1.00 0.00 H new ATOM 0 HG LEU A 294 14.723 4.757 -1.534 1.00 0.00 H new ATOM 0 HD11 LEU A 294 15.903 6.860 -0.995 1.00 0.00 H new ATOM 0 HD12 LEU A 294 16.710 5.449 -0.269 1.00 0.00 H new ATOM 0 HD13 LEU A 294 17.386 6.208 -1.731 1.00 0.00 H new ATOM 0 HD21 LEU A 294 14.681 6.640 -3.097 1.00 0.00 H new ATOM 0 HD22 LEU A 294 16.129 5.997 -3.906 1.00 0.00 H new ATOM 0 HD23 LEU A 294 14.607 5.075 -3.941 1.00 0.00 H new ATOM 1352 N LYS A 295 16.119 0.273 -2.611 1.00 0.00 N ATOM 1353 CA LYS A 295 16.853 -1.024 -2.519 1.00 0.00 C ATOM 1354 C LYS A 295 17.991 -0.963 -1.466 1.00 0.00 C ATOM 1355 O LYS A 295 18.323 -1.961 -0.829 1.00 0.00 O ATOM 1356 CB LYS A 295 17.434 -1.427 -3.889 1.00 0.00 C ATOM 1357 CG LYS A 295 17.938 -2.865 -3.986 1.00 0.00 C ATOM 1358 CD LYS A 295 18.820 -3.039 -5.210 1.00 0.00 C ATOM 1359 CE LYS A 295 20.218 -2.500 -4.941 1.00 0.00 C ATOM 1360 NZ LYS A 295 20.991 -3.439 -4.113 1.00 0.00 N ATOM 0 H LYS A 295 15.176 0.222 -2.225 1.00 0.00 H new ATOM 0 HA LYS A 295 16.132 -1.778 -2.202 1.00 0.00 H new ATOM 0 HB2 LYS A 295 16.667 -1.276 -4.649 1.00 0.00 H new ATOM 0 HB3 LYS A 295 18.257 -0.754 -4.128 1.00 0.00 H new ATOM 0 HG2 LYS A 295 18.499 -3.121 -3.087 1.00 0.00 H new ATOM 0 HG3 LYS A 295 17.092 -3.550 -4.040 1.00 0.00 H new ATOM 0 HD2 LYS A 295 18.876 -4.094 -5.478 1.00 0.00 H new ATOM 0 HD3 LYS A 295 18.380 -2.517 -6.060 1.00 0.00 H new ATOM 0 HE2 LYS A 295 20.735 -2.331 -5.886 1.00 0.00 H new ATOM 0 HE3 LYS A 295 20.150 -1.536 -4.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 295 21.999 -3.187 -4.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 295 20.659 -3.389 -3.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 295 20.862 -4.406 -4.473 1.00 0.00 H new ATOM 1720 N TYR B 833 16.662 0.513 -7.278 1.00 0.00 N ATOM 1721 CA TYR B 833 15.303 0.532 -6.823 1.00 0.00 C ATOM 1722 C TYR B 833 14.761 -0.861 -6.745 1.00 0.00 C ATOM 1723 O TYR B 833 15.152 -1.724 -7.521 1.00 0.00 O ATOM 1724 CB TYR B 833 14.403 1.394 -7.710 1.00 0.00 C ATOM 1725 CG TYR B 833 14.449 2.881 -7.419 1.00 0.00 C ATOM 1726 CD1 TYR B 833 13.602 3.435 -6.462 1.00 0.00 C ATOM 1727 CD2 TYR B 833 15.308 3.737 -8.098 1.00 0.00 C ATOM 1728 CE1 TYR B 833 13.605 4.776 -6.206 1.00 0.00 C ATOM 1729 CE2 TYR B 833 15.311 5.090 -7.823 1.00 0.00 C ATOM 1730 CZ TYR B 833 14.462 5.598 -6.886 1.00 0.00 C ATOM 1731 OH TYR B 833 14.461 6.945 -6.636 1.00 0.00 O ATOM 0 HA TYR B 833 15.306 0.979 -5.829 1.00 0.00 H new ATOM 0 HB2 TYR B 833 14.684 1.234 -8.751 1.00 0.00 H new ATOM 0 HB3 TYR B 833 13.375 1.050 -7.601 1.00 0.00 H new ATOM 0 HD1 TYR B 833 12.931 2.792 -5.912 1.00 0.00 H new ATOM 0 HD2 TYR B 833 15.978 3.341 -8.846 1.00 0.00 H new ATOM 0 HE1 TYR B 833 12.932 5.187 -5.468 1.00 0.00 H new ATOM 0 HE2 TYR B 833 15.987 5.746 -8.351 1.00 0.00 H new ATOM 0 HH TYR B 833 13.721 7.165 -6.032 1.00 0.00 H new ATOM 1741 N ASN B 834 13.910 -1.090 -5.803 1.00 0.00 N ATOM 1742 CA ASN B 834 13.206 -2.347 -5.695 1.00 0.00 C ATOM 1743 C ASN B 834 11.827 -2.143 -6.278 1.00 0.00 C ATOM 1744 O ASN B 834 11.039 -1.366 -5.727 1.00 0.00 O ATOM 1745 CB ASN B 834 13.080 -2.797 -4.240 1.00 0.00 C ATOM 1746 CG ASN B 834 14.247 -3.580 -3.685 1.00 0.00 C ATOM 1747 OD1 ASN B 834 14.917 -4.333 -4.393 1.00 0.00 O ATOM 1748 ND2 ASN B 834 14.494 -3.410 -2.411 1.00 0.00 N ATOM 0 H ASN B 834 13.674 -0.414 -5.076 1.00 0.00 H new ATOM 0 HA ASN B 834 13.758 -3.120 -6.230 1.00 0.00 H new ATOM 0 HB2 ASN B 834 12.933 -1.914 -3.619 1.00 0.00 H new ATOM 0 HB3 ASN B 834 12.181 -3.407 -4.146 1.00 0.00 H new ATOM 0 HD21 ASN B 834 15.265 -3.911 -1.970 1.00 0.00 H new ATOM 0 HD22 ASN B 834 13.915 -2.777 -1.859 1.00 0.00 H new ATOM 1755 N PRO B 835 11.508 -2.829 -7.392 1.00 0.00 N ATOM 1756 CA PRO B 835 10.242 -2.638 -8.109 1.00 0.00 C ATOM 1757 C PRO B 835 9.020 -2.919 -7.256 1.00 0.00 C ATOM 1758 O PRO B 835 8.105 -2.122 -7.234 1.00 0.00 O ATOM 1759 CB PRO B 835 10.324 -3.607 -9.299 1.00 0.00 C ATOM 1760 CG PRO B 835 11.411 -4.570 -8.950 1.00 0.00 C ATOM 1761 CD PRO B 835 12.364 -3.830 -8.055 1.00 0.00 C ATOM 0 HA PRO B 835 10.121 -1.598 -8.413 1.00 0.00 H new ATOM 0 HB2 PRO B 835 9.376 -4.123 -9.452 1.00 0.00 H new ATOM 0 HB3 PRO B 835 10.551 -3.076 -10.223 1.00 0.00 H new ATOM 0 HG2 PRO B 835 11.005 -5.447 -8.445 1.00 0.00 H new ATOM 0 HG3 PRO B 835 11.918 -4.925 -9.847 1.00 0.00 H new ATOM 0 HD2 PRO B 835 12.835 -4.496 -7.333 1.00 0.00 H new ATOM 0 HD3 PRO B 835 13.165 -3.359 -8.624 1.00 0.00 H new ATOM 1769 N GLY B 836 9.045 -4.022 -6.525 1.00 0.00 N ATOM 1770 CA GLY B 836 7.916 -4.415 -5.690 1.00 0.00 C ATOM 1771 C GLY B 836 7.485 -3.334 -4.704 1.00 0.00 C ATOM 1772 O GLY B 836 6.401 -2.775 -4.838 1.00 0.00 O ATOM 0 H GLY B 836 9.837 -4.664 -6.492 1.00 0.00 H new ATOM 0 HA2 GLY B 836 7.071 -4.669 -6.330 1.00 0.00 H new ATOM 0 HA3 GLY B 836 8.179 -5.316 -5.137 1.00 0.00 H new ATOM 1776 N PRO B 837 8.326 -2.998 -3.711 1.00 0.00 N ATOM 1777 CA PRO B 837 7.975 -2.012 -2.708 1.00 0.00 C ATOM 1778 C PRO B 837 7.732 -0.619 -3.265 1.00 0.00 C ATOM 1779 O PRO B 837 6.840 0.092 -2.774 1.00 0.00 O ATOM 1780 CB PRO B 837 9.154 -2.005 -1.747 1.00 0.00 C ATOM 1781 CG PRO B 837 10.267 -2.606 -2.503 1.00 0.00 C ATOM 1782 CD PRO B 837 9.645 -3.577 -3.457 1.00 0.00 C ATOM 0 HA PRO B 837 7.029 -2.278 -2.237 1.00 0.00 H new ATOM 0 HB2 PRO B 837 9.396 -0.992 -1.427 1.00 0.00 H new ATOM 0 HB3 PRO B 837 8.933 -2.579 -0.847 1.00 0.00 H new ATOM 0 HG2 PRO B 837 10.832 -1.842 -3.037 1.00 0.00 H new ATOM 0 HG3 PRO B 837 10.965 -3.110 -1.834 1.00 0.00 H new ATOM 0 HD2 PRO B 837 10.227 -3.670 -4.374 1.00 0.00 H new ATOM 0 HD3 PRO B 837 9.570 -4.575 -3.024 1.00 0.00 H new ATOM 1790 N GLN B 838 8.497 -0.219 -4.296 1.00 0.00 N ATOM 1791 CA GLN B 838 8.328 1.116 -4.850 1.00 0.00 C ATOM 1792 C GLN B 838 6.955 1.195 -5.461 1.00 0.00 C ATOM 1793 O GLN B 838 6.218 2.125 -5.211 1.00 0.00 O ATOM 1794 CB GLN B 838 9.424 1.480 -5.904 1.00 0.00 C ATOM 1795 CG GLN B 838 9.187 0.923 -7.317 1.00 0.00 C ATOM 1796 CD GLN B 838 10.370 1.066 -8.254 1.00 0.00 C ATOM 1797 OE1 GLN B 838 10.578 0.242 -9.130 1.00 0.00 O ATOM 1798 NE2 GLN B 838 11.104 2.132 -8.136 1.00 0.00 N ATOM 0 H GLN B 838 9.215 -0.788 -4.744 1.00 0.00 H new ATOM 0 HA GLN B 838 8.438 1.843 -4.045 1.00 0.00 H new ATOM 0 HB2 GLN B 838 9.498 2.566 -5.967 1.00 0.00 H new ATOM 0 HB3 GLN B 838 10.386 1.115 -5.544 1.00 0.00 H new ATOM 0 HG2 GLN B 838 8.927 -0.133 -7.239 1.00 0.00 H new ATOM 0 HG3 GLN B 838 8.328 1.432 -7.755 1.00 0.00 H new ATOM 0 HE21 GLN B 838 10.910 2.806 -7.395 1.00 0.00 H new ATOM 0 HE22 GLN B 838 11.874 2.295 -8.784 1.00 0.00 H new ATOM 1807 N ASP B 839 6.578 0.139 -6.148 1.00 0.00 N ATOM 1808 CA ASP B 839 5.354 0.112 -6.879 1.00 0.00 C ATOM 1809 C ASP B 839 4.211 0.052 -5.900 1.00 0.00 C ATOM 1810 O ASP B 839 3.227 0.728 -6.069 1.00 0.00 O ATOM 1811 CB ASP B 839 5.330 -1.092 -7.800 1.00 0.00 C ATOM 1812 CG ASP B 839 4.415 -0.949 -9.005 1.00 0.00 C ATOM 1813 OD1 ASP B 839 4.235 0.184 -9.521 1.00 0.00 O ATOM 1814 OD2 ASP B 839 3.870 -1.971 -9.483 1.00 0.00 O ATOM 0 H ASP B 839 7.121 -0.722 -6.208 1.00 0.00 H new ATOM 0 HA ASP B 839 5.262 1.010 -7.490 1.00 0.00 H new ATOM 0 HB2 ASP B 839 6.344 -1.285 -8.151 1.00 0.00 H new ATOM 0 HB3 ASP B 839 5.020 -1.965 -7.226 1.00 0.00 H new ATOM 1819 N PHE B 840 4.400 -0.730 -4.825 1.00 0.00 N ATOM 1820 CA PHE B 840 3.415 -0.893 -3.741 1.00 0.00 C ATOM 1821 C PHE B 840 3.004 0.497 -3.196 1.00 0.00 C ATOM 1822 O PHE B 840 1.830 0.755 -2.916 1.00 0.00 O ATOM 1823 CB PHE B 840 4.040 -1.736 -2.604 1.00 0.00 C ATOM 1824 CG PHE B 840 3.075 -2.651 -1.886 1.00 0.00 C ATOM 1825 CD1 PHE B 840 2.013 -2.150 -1.148 1.00 0.00 C ATOM 1826 CD2 PHE B 840 3.231 -4.026 -1.969 1.00 0.00 C ATOM 1827 CE1 PHE B 840 1.129 -3.007 -0.509 1.00 0.00 C ATOM 1828 CE2 PHE B 840 2.348 -4.884 -1.330 1.00 0.00 C ATOM 1829 CZ PHE B 840 1.297 -4.373 -0.606 1.00 0.00 C ATOM 0 H PHE B 840 5.251 -1.274 -4.682 1.00 0.00 H new ATOM 0 HA PHE B 840 2.531 -1.401 -4.126 1.00 0.00 H new ATOM 0 HB2 PHE B 840 4.848 -2.338 -3.020 1.00 0.00 H new ATOM 0 HB3 PHE B 840 4.488 -1.061 -1.875 1.00 0.00 H new ATOM 0 HD1 PHE B 840 1.873 -1.082 -1.070 1.00 0.00 H new ATOM 0 HD2 PHE B 840 4.052 -4.435 -2.539 1.00 0.00 H new ATOM 0 HE1 PHE B 840 0.308 -2.604 0.065 1.00 0.00 H new ATOM 0 HE2 PHE B 840 2.486 -5.953 -1.401 1.00 0.00 H new ATOM 0 HZ PHE B 840 0.604 -5.040 -0.114 1.00 0.00 H new ATOM 1839 N LEU B 841 3.991 1.378 -3.078 1.00 0.00 N ATOM 1840 CA LEU B 841 3.780 2.756 -2.643 1.00 0.00 C ATOM 1841 C LEU B 841 3.237 3.625 -3.789 1.00 0.00 C ATOM 1842 O LEU B 841 2.355 4.452 -3.595 1.00 0.00 O ATOM 1843 CB LEU B 841 5.096 3.354 -2.095 1.00 0.00 C ATOM 1844 CG LEU B 841 5.135 4.883 -1.984 1.00 0.00 C ATOM 1845 CD1 LEU B 841 4.114 5.381 -0.979 1.00 0.00 C ATOM 1846 CD2 LEU B 841 6.527 5.375 -1.635 1.00 0.00 C ATOM 0 H LEU B 841 4.965 1.156 -3.282 1.00 0.00 H new ATOM 0 HA LEU B 841 3.037 2.746 -1.846 1.00 0.00 H new ATOM 0 HB2 LEU B 841 5.282 2.931 -1.108 1.00 0.00 H new ATOM 0 HB3 LEU B 841 5.915 3.034 -2.739 1.00 0.00 H new ATOM 0 HG LEU B 841 4.874 5.293 -2.960 1.00 0.00 H new ATOM 0 HD11 LEU B 841 4.162 6.468 -0.919 1.00 0.00 H new ATOM 0 HD12 LEU B 841 3.115 5.079 -1.295 1.00 0.00 H new ATOM 0 HD13 LEU B 841 4.329 4.954 0.001 1.00 0.00 H new ATOM 0 HD21 LEU B 841 6.521 6.463 -1.564 1.00 0.00 H new ATOM 0 HD22 LEU B 841 6.834 4.950 -0.679 1.00 0.00 H new ATOM 0 HD23 LEU B 841 7.227 5.066 -2.411 1.00 0.00 H new ATOM 1858 N LEU B 842 3.748 3.422 -4.966 1.00 0.00 N ATOM 1859 CA LEU B 842 3.339 4.189 -6.131 1.00 0.00 C ATOM 1860 C LEU B 842 1.885 3.964 -6.550 1.00 0.00 C ATOM 1861 O LEU B 842 1.335 4.721 -7.360 1.00 0.00 O ATOM 1862 CB LEU B 842 4.268 3.940 -7.287 1.00 0.00 C ATOM 1863 CG LEU B 842 5.410 4.961 -7.440 1.00 0.00 C ATOM 1864 CD1 LEU B 842 6.470 4.849 -6.356 1.00 0.00 C ATOM 1865 CD2 LEU B 842 6.013 4.881 -8.805 1.00 0.00 C ATOM 0 H LEU B 842 4.463 2.721 -5.158 1.00 0.00 H new ATOM 0 HA LEU B 842 3.403 5.235 -5.831 1.00 0.00 H new ATOM 0 HB2 LEU B 842 4.702 2.946 -7.176 1.00 0.00 H new ATOM 0 HB3 LEU B 842 3.684 3.932 -8.207 1.00 0.00 H new ATOM 0 HG LEU B 842 4.962 5.947 -7.314 1.00 0.00 H new ATOM 0 HD11 LEU B 842 7.244 5.598 -6.525 1.00 0.00 H new ATOM 0 HD12 LEU B 842 6.012 5.015 -5.381 1.00 0.00 H new ATOM 0 HD13 LEU B 842 6.915 3.854 -6.384 1.00 0.00 H new ATOM 0 HD21 LEU B 842 6.818 5.611 -8.891 1.00 0.00 H new ATOM 0 HD22 LEU B 842 6.412 3.880 -8.968 1.00 0.00 H new ATOM 0 HD23 LEU B 842 5.249 5.093 -9.553 1.00 0.00 H new ATOM 1877 N LYS B 843 1.280 2.934 -6.017 1.00 0.00 N ATOM 1878 CA LYS B 843 -0.115 2.613 -6.290 1.00 0.00 C ATOM 1879 C LYS B 843 -1.041 3.210 -5.204 1.00 0.00 C ATOM 1880 O LYS B 843 -2.256 3.012 -5.247 1.00 0.00 O ATOM 1881 CB LYS B 843 -0.280 1.090 -6.327 1.00 0.00 C ATOM 1882 CG LYS B 843 0.628 0.380 -7.327 1.00 0.00 C ATOM 1883 CD LYS B 843 0.162 0.463 -8.763 1.00 0.00 C ATOM 1884 CE LYS B 843 1.102 -0.362 -9.622 1.00 0.00 C ATOM 1885 NZ LYS B 843 0.766 -0.357 -11.053 1.00 0.00 N ATOM 0 H LYS B 843 1.736 2.285 -5.376 1.00 0.00 H new ATOM 0 HA LYS B 843 -0.394 3.044 -7.252 1.00 0.00 H new ATOM 0 HB2 LYS B 843 -0.085 0.692 -5.331 1.00 0.00 H new ATOM 0 HB3 LYS B 843 -1.317 0.855 -6.566 1.00 0.00 H new ATOM 0 HG2 LYS B 843 1.629 0.807 -7.257 1.00 0.00 H new ATOM 0 HG3 LYS B 843 0.709 -0.670 -7.044 1.00 0.00 H new ATOM 0 HD2 LYS B 843 -0.858 0.090 -8.852 1.00 0.00 H new ATOM 0 HD3 LYS B 843 0.153 1.500 -9.099 1.00 0.00 H new ATOM 0 HE2 LYS B 843 2.117 0.015 -9.497 1.00 0.00 H new ATOM 0 HE3 LYS B 843 1.097 -1.391 -9.262 1.00 0.00 H new ATOM 0 HZ1 LYS B 843 1.452 -0.941 -11.573 1.00 0.00 H new ATOM 0 HZ2 LYS B 843 -0.190 -0.744 -11.186 1.00 0.00 H new ATOM 0 HZ3 LYS B 843 0.798 0.618 -11.414 1.00 0.00 H new ATOM 1899 N MET B 844 -0.464 3.955 -4.252 1.00 0.00 N ATOM 1900 CA MET B 844 -1.234 4.529 -3.142 1.00 0.00 C ATOM 1901 C MET B 844 -2.055 5.734 -3.600 1.00 0.00 C ATOM 1902 O MET B 844 -1.644 6.457 -4.510 1.00 0.00 O ATOM 1903 CB MET B 844 -0.309 4.980 -2.000 1.00 0.00 C ATOM 1904 CG MET B 844 0.391 3.896 -1.275 1.00 0.00 C ATOM 1905 SD MET B 844 -0.717 2.909 -0.305 1.00 0.00 S ATOM 1906 CE MET B 844 0.464 2.375 0.877 1.00 0.00 C ATOM 0 H MET B 844 0.532 4.174 -4.229 1.00 0.00 H new ATOM 0 HA MET B 844 -1.903 3.745 -2.787 1.00 0.00 H new ATOM 0 HB2 MET B 844 0.438 5.660 -2.409 1.00 0.00 H new ATOM 0 HB3 MET B 844 -0.899 5.550 -1.282 1.00 0.00 H new ATOM 0 HG2 MET B 844 0.909 3.259 -1.992 1.00 0.00 H new ATOM 0 HG3 MET B 844 1.152 4.329 -0.625 1.00 0.00 H new ATOM 0 HE1 MET B 844 -0.030 1.769 1.636 1.00 0.00 H new ATOM 0 HE2 MET B 844 1.232 1.781 0.381 1.00 0.00 H new ATOM 0 HE3 MET B 844 0.925 3.243 1.349 1.00 0.00 H new ATOM 1916 N PRO B 845 -3.230 5.957 -3.007 1.00 0.00 N ATOM 1917 CA PRO B 845 -4.031 7.144 -3.282 1.00 0.00 C ATOM 1918 C PRO B 845 -3.456 8.364 -2.560 1.00 0.00 C ATOM 1919 O PRO B 845 -2.998 8.269 -1.413 1.00 0.00 O ATOM 1920 CB PRO B 845 -5.399 6.799 -2.698 1.00 0.00 C ATOM 1921 CG PRO B 845 -5.105 5.840 -1.610 1.00 0.00 C ATOM 1922 CD PRO B 845 -3.895 5.058 -2.049 1.00 0.00 C ATOM 0 HA PRO B 845 -4.061 7.391 -4.343 1.00 0.00 H new ATOM 0 HB2 PRO B 845 -5.904 7.687 -2.319 1.00 0.00 H new ATOM 0 HB3 PRO B 845 -6.052 6.358 -3.451 1.00 0.00 H new ATOM 0 HG2 PRO B 845 -4.911 6.363 -0.673 1.00 0.00 H new ATOM 0 HG3 PRO B 845 -5.953 5.178 -1.436 1.00 0.00 H new ATOM 0 HD2 PRO B 845 -3.246 4.818 -1.207 1.00 0.00 H new ATOM 0 HD3 PRO B 845 -4.176 4.113 -2.514 1.00 0.00 H new ATOM 1930 N GLY B 846 -3.448 9.480 -3.230 1.00 0.00 N ATOM 1931 CA GLY B 846 -2.961 10.691 -2.642 1.00 0.00 C ATOM 1932 C GLY B 846 -1.495 10.909 -2.917 1.00 0.00 C ATOM 1933 O GLY B 846 -0.976 12.006 -2.696 1.00 0.00 O ATOM 0 H GLY B 846 -3.776 9.575 -4.191 1.00 0.00 H new ATOM 0 HA2 GLY B 846 -3.531 11.536 -3.029 1.00 0.00 H new ATOM 0 HA3 GLY B 846 -3.126 10.662 -1.565 1.00 0.00 H new ATOM 1937 N VAL B 847 -0.830 9.894 -3.420 1.00 0.00 N ATOM 1938 CA VAL B 847 0.579 9.994 -3.677 1.00 0.00 C ATOM 1939 C VAL B 847 0.804 10.565 -5.087 1.00 0.00 C ATOM 1940 O VAL B 847 0.015 10.328 -6.015 1.00 0.00 O ATOM 1941 CB VAL B 847 1.326 8.613 -3.498 1.00 0.00 C ATOM 1942 CG1 VAL B 847 1.196 7.696 -4.707 1.00 0.00 C ATOM 1943 CG2 VAL B 847 2.782 8.814 -3.101 1.00 0.00 C ATOM 0 H VAL B 847 -1.246 8.993 -3.657 1.00 0.00 H new ATOM 0 HA VAL B 847 1.008 10.671 -2.938 1.00 0.00 H new ATOM 0 HB VAL B 847 0.821 8.101 -2.679 1.00 0.00 H new ATOM 0 HG11 VAL B 847 1.732 6.766 -4.517 1.00 0.00 H new ATOM 0 HG12 VAL B 847 0.143 7.478 -4.887 1.00 0.00 H new ATOM 0 HG13 VAL B 847 1.620 8.187 -5.583 1.00 0.00 H new ATOM 0 HG21 VAL B 847 3.265 7.844 -2.986 1.00 0.00 H new ATOM 0 HG22 VAL B 847 3.295 9.386 -3.875 1.00 0.00 H new ATOM 0 HG23 VAL B 847 2.830 9.357 -2.157 1.00 0.00 H new ATOM 1953 N ASN B 848 1.812 11.369 -5.203 1.00 0.00 N ATOM 1954 CA ASN B 848 2.240 11.948 -6.461 1.00 0.00 C ATOM 1955 C ASN B 848 3.733 11.707 -6.551 1.00 0.00 C ATOM 1956 O ASN B 848 4.301 11.182 -5.592 1.00 0.00 O ATOM 1957 CB ASN B 848 1.854 13.467 -6.546 1.00 0.00 C ATOM 1958 CG ASN B 848 2.413 14.326 -5.432 1.00 0.00 C ATOM 1959 OD1 ASN B 848 3.510 14.140 -4.989 1.00 0.00 O ATOM 1960 ND2 ASN B 848 1.623 15.214 -4.931 1.00 0.00 N ATOM 0 H ASN B 848 2.384 11.657 -4.409 1.00 0.00 H new ATOM 0 HA ASN B 848 1.739 11.486 -7.312 1.00 0.00 H new ATOM 0 HB2 ASN B 848 2.201 13.863 -7.500 1.00 0.00 H new ATOM 0 HB3 ASN B 848 0.767 13.552 -6.542 1.00 0.00 H new ATOM 0 HD21 ASN B 848 1.928 15.778 -4.138 1.00 0.00 H new ATOM 0 HD22 ASN B 848 0.694 15.352 -5.328 1.00 0.00 H new ATOM 1967 N ALA B 849 4.368 12.087 -7.635 1.00 0.00 N ATOM 1968 CA ALA B 849 5.811 11.828 -7.833 1.00 0.00 C ATOM 1969 C ALA B 849 6.653 12.488 -6.749 1.00 0.00 C ATOM 1970 O ALA B 849 7.619 11.906 -6.249 1.00 0.00 O ATOM 1971 CB ALA B 849 6.236 12.311 -9.204 1.00 0.00 C ATOM 0 H ALA B 849 3.922 12.581 -8.408 1.00 0.00 H new ATOM 0 HA ALA B 849 5.976 10.753 -7.764 1.00 0.00 H new ATOM 0 HB1 ALA B 849 7.300 12.118 -9.344 1.00 0.00 H new ATOM 0 HB2 ALA B 849 5.667 11.782 -9.969 1.00 0.00 H new ATOM 0 HB3 ALA B 849 6.048 13.381 -9.287 1.00 0.00 H new ATOM 1977 N LYS B 850 6.217 13.650 -6.344 1.00 0.00 N ATOM 1978 CA LYS B 850 6.888 14.469 -5.340 1.00 0.00 C ATOM 1979 C LYS B 850 6.850 13.732 -4.006 1.00 0.00 C ATOM 1980 O LYS B 850 7.859 13.526 -3.349 1.00 0.00 O ATOM 1981 CB LYS B 850 6.102 15.761 -5.217 1.00 0.00 C ATOM 1982 CG LYS B 850 5.825 16.356 -6.565 1.00 0.00 C ATOM 1983 CD LYS B 850 4.601 17.216 -6.566 1.00 0.00 C ATOM 1984 CE LYS B 850 4.173 17.475 -7.986 1.00 0.00 C ATOM 1985 NZ LYS B 850 5.225 18.152 -8.790 1.00 0.00 N ATOM 0 H LYS B 850 5.363 14.075 -6.706 1.00 0.00 H new ATOM 0 HA LYS B 850 7.923 14.668 -5.617 1.00 0.00 H new ATOM 0 HB2 LYS B 850 5.161 15.570 -4.700 1.00 0.00 H new ATOM 0 HB3 LYS B 850 6.660 16.473 -4.610 1.00 0.00 H new ATOM 0 HG2 LYS B 850 6.683 16.949 -6.881 1.00 0.00 H new ATOM 0 HG3 LYS B 850 5.704 15.556 -7.295 1.00 0.00 H new ATOM 0 HD2 LYS B 850 3.798 16.725 -6.016 1.00 0.00 H new ATOM 0 HD3 LYS B 850 4.805 18.159 -6.058 1.00 0.00 H new ATOM 0 HE2 LYS B 850 3.912 16.529 -8.460 1.00 0.00 H new ATOM 0 HE3 LYS B 850 3.273 18.089 -7.983 1.00 0.00 H new ATOM 0 HZ1 LYS B 850 4.812 18.502 -9.678 1.00 0.00 H new ATOM 0 HZ2 LYS B 850 5.614 18.951 -8.250 1.00 0.00 H new ATOM 0 HZ3 LYS B 850 5.986 17.477 -9.005 1.00 0.00 H new ATOM 1999 N ASN B 851 5.655 13.299 -3.676 1.00 0.00 N ATOM 2000 CA ASN B 851 5.339 12.571 -2.463 1.00 0.00 C ATOM 2001 C ASN B 851 6.003 11.206 -2.437 1.00 0.00 C ATOM 2002 O ASN B 851 6.457 10.757 -1.383 1.00 0.00 O ATOM 2003 CB ASN B 851 3.803 12.484 -2.282 1.00 0.00 C ATOM 2004 CG ASN B 851 3.191 13.722 -1.642 1.00 0.00 C ATOM 2005 OD1 ASN B 851 2.168 13.643 -1.000 1.00 0.00 O ATOM 2006 ND2 ASN B 851 3.788 14.862 -1.829 1.00 0.00 N ATOM 0 H ASN B 851 4.839 13.450 -4.270 1.00 0.00 H new ATOM 0 HA ASN B 851 5.746 13.119 -1.613 1.00 0.00 H new ATOM 0 HB2 ASN B 851 3.340 12.323 -3.255 1.00 0.00 H new ATOM 0 HB3 ASN B 851 3.567 11.614 -1.669 1.00 0.00 H new ATOM 0 HD21 ASN B 851 3.395 15.715 -1.431 1.00 0.00 H new ATOM 0 HD22 ASN B 851 4.649 14.903 -2.374 1.00 0.00 H new ATOM 2013 N CYS B 852 6.092 10.558 -3.603 1.00 0.00 N ATOM 2014 CA CYS B 852 6.806 9.287 -3.726 1.00 0.00 C ATOM 2015 C CYS B 852 8.260 9.513 -3.359 1.00 0.00 C ATOM 2016 O CYS B 852 8.838 8.755 -2.582 1.00 0.00 O ATOM 2017 CB CYS B 852 6.725 8.726 -5.157 1.00 0.00 C ATOM 2018 SG CYS B 852 5.060 8.357 -5.746 1.00 0.00 S ATOM 0 H CYS B 852 5.678 10.894 -4.473 1.00 0.00 H new ATOM 0 HA CYS B 852 6.342 8.562 -3.057 1.00 0.00 H new ATOM 0 HB2 CYS B 852 7.183 9.444 -5.838 1.00 0.00 H new ATOM 0 HB3 CYS B 852 7.321 7.815 -5.207 1.00 0.00 H new ATOM 0 HG CYS B 852 4.320 9.422 -5.651 1.00 0.00 H new ATOM 2024 N ARG B 853 8.826 10.592 -3.896 1.00 0.00 N ATOM 2025 CA ARG B 853 10.188 10.981 -3.606 1.00 0.00 C ATOM 2026 C ARG B 853 10.388 11.240 -2.120 1.00 0.00 C ATOM 2027 O ARG B 853 11.295 10.696 -1.528 1.00 0.00 O ATOM 2028 CB ARG B 853 10.615 12.184 -4.450 1.00 0.00 C ATOM 2029 CG ARG B 853 10.996 11.845 -5.888 1.00 0.00 C ATOM 2030 CD ARG B 853 12.231 10.950 -5.929 1.00 0.00 C ATOM 2031 NE ARG B 853 12.652 10.624 -7.294 1.00 0.00 N ATOM 2032 CZ ARG B 853 13.872 10.166 -7.628 1.00 0.00 C ATOM 2033 NH1 ARG B 853 14.820 10.033 -6.703 1.00 0.00 N ATOM 2034 NH2 ARG B 853 14.139 9.845 -8.884 1.00 0.00 N ATOM 0 H ARG B 853 8.345 11.216 -4.544 1.00 0.00 H new ATOM 0 HA ARG B 853 10.834 10.146 -3.879 1.00 0.00 H new ATOM 0 HB2 ARG B 853 9.801 12.909 -4.464 1.00 0.00 H new ATOM 0 HB3 ARG B 853 11.464 12.668 -3.967 1.00 0.00 H new ATOM 0 HG2 ARG B 853 10.163 11.344 -6.380 1.00 0.00 H new ATOM 0 HG3 ARG B 853 11.189 12.763 -6.443 1.00 0.00 H new ATOM 0 HD2 ARG B 853 13.051 11.446 -5.410 1.00 0.00 H new ATOM 0 HD3 ARG B 853 12.023 10.027 -5.388 1.00 0.00 H new ATOM 0 HE ARG B 853 11.972 10.753 -8.044 1.00 0.00 H new ATOM 0 HH11 ARG B 853 14.624 10.279 -5.733 1.00 0.00 H new ATOM 0 HH12 ARG B 853 15.742 9.685 -6.964 1.00 0.00 H new ATOM 0 HH21 ARG B 853 13.419 9.945 -9.600 1.00 0.00 H new ATOM 0 HH22 ARG B 853 15.064 9.498 -9.136 1.00 0.00 H new ATOM 2048 N SER B 854 9.518 12.022 -1.527 1.00 0.00 N ATOM 2049 CA SER B 854 9.570 12.323 -0.112 1.00 0.00 C ATOM 2050 C SER B 854 9.581 11.035 0.716 1.00 0.00 C ATOM 2051 O SER B 854 10.430 10.847 1.583 1.00 0.00 O ATOM 2052 CB SER B 854 8.362 13.153 0.245 1.00 0.00 C ATOM 2053 OG SER B 854 8.259 14.263 -0.620 1.00 0.00 O ATOM 0 H SER B 854 8.745 12.473 -2.016 1.00 0.00 H new ATOM 0 HA SER B 854 10.485 12.873 0.109 1.00 0.00 H new ATOM 0 HB2 SER B 854 7.460 12.544 0.176 1.00 0.00 H new ATOM 0 HB3 SER B 854 8.438 13.494 1.278 1.00 0.00 H new ATOM 0 HG SER B 854 7.968 13.962 -1.506 1.00 0.00 H new ATOM 2059 N LEU B 855 8.682 10.135 0.399 1.00 0.00 N ATOM 2060 CA LEU B 855 8.586 8.895 1.110 1.00 0.00 C ATOM 2061 C LEU B 855 9.781 7.999 0.927 1.00 0.00 C ATOM 2062 O LEU B 855 10.232 7.410 1.866 1.00 0.00 O ATOM 2063 CB LEU B 855 7.305 8.180 0.794 1.00 0.00 C ATOM 2064 CG LEU B 855 6.106 8.655 1.599 1.00 0.00 C ATOM 2065 CD1 LEU B 855 4.858 8.041 1.068 1.00 0.00 C ATOM 2066 CD2 LEU B 855 6.271 8.296 3.076 1.00 0.00 C ATOM 0 H LEU B 855 8.003 10.245 -0.354 1.00 0.00 H new ATOM 0 HA LEU B 855 8.576 9.158 2.168 1.00 0.00 H new ATOM 0 HB2 LEU B 855 7.087 8.303 -0.267 1.00 0.00 H new ATOM 0 HB3 LEU B 855 7.446 7.113 0.969 1.00 0.00 H new ATOM 0 HG LEU B 855 6.040 9.739 1.509 1.00 0.00 H new ATOM 0 HD11 LEU B 855 4.005 8.388 1.652 1.00 0.00 H new ATOM 0 HD12 LEU B 855 4.726 8.330 0.025 1.00 0.00 H new ATOM 0 HD13 LEU B 855 4.928 6.956 1.138 1.00 0.00 H new ATOM 0 HD21 LEU B 855 5.402 8.645 3.634 1.00 0.00 H new ATOM 0 HD22 LEU B 855 6.359 7.215 3.180 1.00 0.00 H new ATOM 0 HD23 LEU B 855 7.170 8.772 3.468 1.00 0.00 H new ATOM 2078 N MET B 856 10.324 7.939 -0.257 1.00 0.00 N ATOM 2079 CA MET B 856 11.469 7.062 -0.490 1.00 0.00 C ATOM 2080 C MET B 856 12.759 7.686 0.006 1.00 0.00 C ATOM 2081 O MET B 856 13.736 6.994 0.249 1.00 0.00 O ATOM 2082 CB MET B 856 11.598 6.661 -1.963 1.00 0.00 C ATOM 2083 CG MET B 856 11.813 7.835 -2.886 1.00 0.00 C ATOM 2084 SD MET B 856 11.934 7.388 -4.624 1.00 0.00 S ATOM 2085 CE MET B 856 10.324 6.647 -4.903 1.00 0.00 C ATOM 0 H MET B 856 10.010 8.470 -1.070 1.00 0.00 H new ATOM 0 HA MET B 856 11.286 6.154 0.085 1.00 0.00 H new ATOM 0 HB2 MET B 856 12.430 5.966 -2.071 1.00 0.00 H new ATOM 0 HB3 MET B 856 10.697 6.129 -2.268 1.00 0.00 H new ATOM 0 HG2 MET B 856 10.991 8.539 -2.759 1.00 0.00 H new ATOM 0 HG3 MET B 856 12.725 8.354 -2.591 1.00 0.00 H new ATOM 0 HE1 MET B 856 9.940 6.966 -5.872 1.00 0.00 H new ATOM 0 HE2 MET B 856 10.416 5.561 -4.889 1.00 0.00 H new ATOM 0 HE3 MET B 856 9.637 6.963 -4.118 1.00 0.00 H new ATOM 2095 N HIS B 857 12.768 8.979 0.154 1.00 0.00 N ATOM 2096 CA HIS B 857 13.948 9.656 0.611 1.00 0.00 C ATOM 2097 C HIS B 857 13.978 9.821 2.125 1.00 0.00 C ATOM 2098 O HIS B 857 15.050 9.908 2.719 1.00 0.00 O ATOM 2099 CB HIS B 857 14.171 10.975 -0.147 1.00 0.00 C ATOM 2100 CG HIS B 857 14.689 10.771 -1.557 1.00 0.00 C ATOM 2101 ND1 HIS B 857 16.015 10.573 -1.865 1.00 0.00 N ATOM 2102 CD2 HIS B 857 14.030 10.708 -2.740 1.00 0.00 C ATOM 2103 CE1 HIS B 857 16.122 10.401 -3.184 1.00 0.00 C ATOM 2104 NE2 HIS B 857 14.938 10.472 -3.769 1.00 0.00 N ATOM 0 H HIS B 857 11.971 9.587 -0.035 1.00 0.00 H new ATOM 0 HA HIS B 857 14.798 9.016 0.375 1.00 0.00 H new ATOM 0 HB2 HIS B 857 13.232 11.527 -0.188 1.00 0.00 H new ATOM 0 HB3 HIS B 857 14.879 11.591 0.408 1.00 0.00 H new ATOM 0 HD1 HIS B 857 16.786 10.560 -1.198 1.00 0.00 H new ATOM 0 HD2 HIS B 857 12.963 10.823 -2.865 1.00 0.00 H new ATOM 0 HE1 HIS B 857 17.052 10.227 -3.705 1.00 0.00 H new ATOM 2112 N HIS B 858 12.816 9.842 2.754 1.00 0.00 N ATOM 2113 CA HIS B 858 12.749 9.949 4.216 1.00 0.00 C ATOM 2114 C HIS B 858 12.443 8.595 4.868 1.00 0.00 C ATOM 2115 O HIS B 858 12.903 8.304 5.968 1.00 0.00 O ATOM 2116 CB HIS B 858 11.696 10.979 4.669 1.00 0.00 C ATOM 2117 CG HIS B 858 11.982 12.414 4.302 1.00 0.00 C ATOM 2118 ND1 HIS B 858 11.648 13.119 3.192 1.00 0.00 N flip ATOM 2119 CD2 HIS B 858 12.631 13.302 5.126 1.00 0.00 C flip ATOM 2120 CE1 HIS B 858 12.082 14.432 3.333 1.00 0.00 C flip ATOM 2121 NE2 HIS B 858 12.667 14.485 4.519 1.00 0.00 N flip ATOM 0 H HIS B 858 11.910 9.787 2.289 1.00 0.00 H new ATOM 0 HA HIS B 858 13.733 10.287 4.542 1.00 0.00 H new ATOM 0 HB2 HIS B 858 10.734 10.699 4.241 1.00 0.00 H new ATOM 0 HB3 HIS B 858 11.594 10.914 5.752 1.00 0.00 H new ATOM 0 HD1 HIS B 858 11.156 12.744 2.381 1.00 0.00 H new ATOM 0 HD2 HIS B 858 13.041 13.078 6.099 1.00 0.00 H new ATOM 0 HE1 HIS B 858 11.966 15.239 2.624 1.00 0.00 H new ATOM 2129 N VAL B 859 11.686 7.783 4.188 1.00 0.00 N ATOM 2130 CA VAL B 859 11.246 6.493 4.689 1.00 0.00 C ATOM 2131 C VAL B 859 11.904 5.339 3.918 1.00 0.00 C ATOM 2132 O VAL B 859 12.258 5.481 2.748 1.00 0.00 O ATOM 2133 CB VAL B 859 9.671 6.418 4.663 1.00 0.00 C ATOM 2134 CG1 VAL B 859 9.151 5.010 4.614 1.00 0.00 C ATOM 2135 CG2 VAL B 859 9.120 7.070 5.893 1.00 0.00 C ATOM 0 H VAL B 859 11.345 7.994 3.250 1.00 0.00 H new ATOM 0 HA VAL B 859 11.567 6.386 5.725 1.00 0.00 H new ATOM 0 HB VAL B 859 9.351 6.930 3.756 1.00 0.00 H new ATOM 0 HG11 VAL B 859 8.061 5.025 4.598 1.00 0.00 H new ATOM 0 HG12 VAL B 859 9.520 4.517 3.715 1.00 0.00 H new ATOM 0 HG13 VAL B 859 9.493 4.465 5.494 1.00 0.00 H new ATOM 0 HG21 VAL B 859 8.031 7.018 5.876 1.00 0.00 H new ATOM 0 HG22 VAL B 859 9.494 6.553 6.777 1.00 0.00 H new ATOM 0 HG23 VAL B 859 9.433 8.114 5.923 1.00 0.00 H new ATOM 2145 N LYS B 860 12.131 4.236 4.601 1.00 0.00 N ATOM 2146 CA LYS B 860 12.723 3.075 3.995 1.00 0.00 C ATOM 2147 C LYS B 860 11.694 2.325 3.133 1.00 0.00 C ATOM 2148 O LYS B 860 11.907 2.120 1.941 1.00 0.00 O ATOM 2149 CB LYS B 860 13.239 2.127 5.088 1.00 0.00 C ATOM 2150 CG LYS B 860 14.013 0.929 4.553 1.00 0.00 C ATOM 2151 CD LYS B 860 14.270 -0.127 5.618 1.00 0.00 C ATOM 2152 CE LYS B 860 15.051 0.402 6.813 1.00 0.00 C ATOM 2153 NZ LYS B 860 15.231 -0.636 7.846 1.00 0.00 N ATOM 0 H LYS B 860 11.908 4.125 5.590 1.00 0.00 H new ATOM 0 HA LYS B 860 13.547 3.404 3.362 1.00 0.00 H new ATOM 0 HB2 LYS B 860 13.881 2.688 5.768 1.00 0.00 H new ATOM 0 HB3 LYS B 860 12.392 1.768 5.673 1.00 0.00 H new ATOM 0 HG2 LYS B 860 13.457 0.481 3.729 1.00 0.00 H new ATOM 0 HG3 LYS B 860 14.966 1.269 4.147 1.00 0.00 H new ATOM 0 HD2 LYS B 860 13.316 -0.525 5.963 1.00 0.00 H new ATOM 0 HD3 LYS B 860 14.819 -0.957 5.172 1.00 0.00 H new ATOM 0 HE2 LYS B 860 16.026 0.760 6.482 1.00 0.00 H new ATOM 0 HE3 LYS B 860 14.527 1.256 7.242 1.00 0.00 H new ATOM 0 HZ1 LYS B 860 15.767 -0.241 8.645 1.00 0.00 H new ATOM 0 HZ2 LYS B 860 14.300 -0.959 8.179 1.00 0.00 H new ATOM 0 HZ3 LYS B 860 15.753 -1.440 7.443 1.00 0.00 H new ATOM 2167 N ASN B 861 10.563 1.982 3.727 1.00 0.00 N ATOM 2168 CA ASN B 861 9.579 1.119 3.072 1.00 0.00 C ATOM 2169 C ASN B 861 8.149 1.450 3.482 1.00 0.00 C ATOM 2170 O ASN B 861 7.915 2.260 4.382 1.00 0.00 O ATOM 2171 CB ASN B 861 9.910 -0.341 3.428 1.00 0.00 C ATOM 2172 CG ASN B 861 10.006 -0.568 4.935 1.00 0.00 C ATOM 2173 OD1 ASN B 861 9.285 0.017 5.714 1.00 0.00 O ATOM 2174 ND2 ASN B 861 10.942 -1.346 5.348 1.00 0.00 N ATOM 0 H ASN B 861 10.298 2.286 4.664 1.00 0.00 H new ATOM 0 HA ASN B 861 9.637 1.280 1.996 1.00 0.00 H new ATOM 0 HB2 ASN B 861 9.143 -0.995 3.013 1.00 0.00 H new ATOM 0 HB3 ASN B 861 10.854 -0.620 2.961 1.00 0.00 H new ATOM 0 HD21 ASN B 861 11.089 -1.481 6.348 1.00 0.00 H new ATOM 0 HD22 ASN B 861 11.538 -1.829 4.675 1.00 0.00 H new ATOM 2181 N ILE B 862 7.202 0.794 2.834 1.00 0.00 N ATOM 2182 CA ILE B 862 5.782 0.951 3.124 1.00 0.00 C ATOM 2183 C ILE B 862 5.453 0.546 4.577 1.00 0.00 C ATOM 2184 O ILE B 862 4.492 1.038 5.160 1.00 0.00 O ATOM 2185 CB ILE B 862 4.856 0.148 2.156 1.00 0.00 C ATOM 2186 CG1 ILE B 862 5.407 -1.268 1.850 1.00 0.00 C ATOM 2187 CG2 ILE B 862 4.557 0.938 0.883 1.00 0.00 C ATOM 2188 CD1 ILE B 862 6.321 -1.361 0.644 1.00 0.00 C ATOM 0 H ILE B 862 7.396 0.130 2.084 1.00 0.00 H new ATOM 0 HA ILE B 862 5.580 2.012 2.977 1.00 0.00 H new ATOM 0 HB ILE B 862 3.908 -0.000 2.673 1.00 0.00 H new ATOM 0 HG12 ILE B 862 5.950 -1.626 2.725 1.00 0.00 H new ATOM 0 HG13 ILE B 862 4.565 -1.943 1.700 1.00 0.00 H new ATOM 0 HG21 ILE B 862 3.910 0.349 0.233 1.00 0.00 H new ATOM 0 HG22 ILE B 862 4.057 1.871 1.143 1.00 0.00 H new ATOM 0 HG23 ILE B 862 5.490 1.158 0.364 1.00 0.00 H new ATOM 0 HD11 ILE B 862 6.652 -2.392 0.517 1.00 0.00 H new ATOM 0 HD12 ILE B 862 5.781 -1.040 -0.247 1.00 0.00 H new ATOM 0 HD13 ILE B 862 7.188 -0.718 0.794 1.00 0.00 H new ATOM 2200 N ALA B 863 6.258 -0.360 5.146 1.00 0.00 N ATOM 2201 CA ALA B 863 6.082 -0.802 6.533 1.00 0.00 C ATOM 2202 C ALA B 863 6.246 0.364 7.506 1.00 0.00 C ATOM 2203 O ALA B 863 5.391 0.578 8.371 1.00 0.00 O ATOM 2204 CB ALA B 863 7.047 -1.931 6.876 1.00 0.00 C ATOM 0 H ALA B 863 7.041 -0.802 4.664 1.00 0.00 H new ATOM 0 HA ALA B 863 5.066 -1.185 6.632 1.00 0.00 H new ATOM 0 HB1 ALA B 863 6.894 -2.239 7.910 1.00 0.00 H new ATOM 0 HB2 ALA B 863 6.865 -2.778 6.215 1.00 0.00 H new ATOM 0 HB3 ALA B 863 8.073 -1.584 6.748 1.00 0.00 H new ATOM 2210 N GLU B 864 7.327 1.129 7.341 1.00 0.00 N ATOM 2211 CA GLU B 864 7.578 2.308 8.170 1.00 0.00 C ATOM 2212 C GLU B 864 6.459 3.304 7.957 1.00 0.00 C ATOM 2213 O GLU B 864 5.931 3.857 8.904 1.00 0.00 O ATOM 2214 CB GLU B 864 8.909 2.973 7.802 1.00 0.00 C ATOM 2215 CG GLU B 864 10.142 2.087 7.894 1.00 0.00 C ATOM 2216 CD GLU B 864 10.383 1.529 9.269 1.00 0.00 C ATOM 2217 OE1 GLU B 864 10.674 2.311 10.199 1.00 0.00 O ATOM 2218 OE2 GLU B 864 10.314 0.300 9.439 1.00 0.00 O ATOM 0 H GLU B 864 8.044 0.952 6.638 1.00 0.00 H new ATOM 0 HA GLU B 864 7.625 1.993 9.212 1.00 0.00 H new ATOM 0 HB2 GLU B 864 8.834 3.353 6.783 1.00 0.00 H new ATOM 0 HB3 GLU B 864 9.055 3.835 8.454 1.00 0.00 H new ATOM 0 HG2 GLU B 864 10.039 1.262 7.189 1.00 0.00 H new ATOM 0 HG3 GLU B 864 11.016 2.662 7.586 1.00 0.00 H new ATOM 2225 N LEU B 865 6.097 3.479 6.691 1.00 0.00 N ATOM 2226 CA LEU B 865 5.012 4.360 6.260 1.00 0.00 C ATOM 2227 C LEU B 865 3.715 4.069 7.005 1.00 0.00 C ATOM 2228 O LEU B 865 3.109 4.960 7.582 1.00 0.00 O ATOM 2229 CB LEU B 865 4.785 4.172 4.755 1.00 0.00 C ATOM 2230 CG LEU B 865 3.473 4.711 4.180 1.00 0.00 C ATOM 2231 CD1 LEU B 865 3.360 6.199 4.343 1.00 0.00 C ATOM 2232 CD2 LEU B 865 3.311 4.302 2.737 1.00 0.00 C ATOM 0 H LEU B 865 6.559 3.002 5.916 1.00 0.00 H new ATOM 0 HA LEU B 865 5.301 5.387 6.482 1.00 0.00 H new ATOM 0 HB2 LEU B 865 5.609 4.650 4.225 1.00 0.00 H new ATOM 0 HB3 LEU B 865 4.840 3.106 4.534 1.00 0.00 H new ATOM 0 HG LEU B 865 2.658 4.266 4.751 1.00 0.00 H new ATOM 0 HD11 LEU B 865 2.414 6.540 3.922 1.00 0.00 H new ATOM 0 HD12 LEU B 865 3.398 6.453 5.402 1.00 0.00 H new ATOM 0 HD13 LEU B 865 4.185 6.686 3.823 1.00 0.00 H new ATOM 0 HD21 LEU B 865 2.371 4.697 2.350 1.00 0.00 H new ATOM 0 HD22 LEU B 865 4.140 4.699 2.151 1.00 0.00 H new ATOM 0 HD23 LEU B 865 3.304 3.214 2.666 1.00 0.00 H new ATOM 2244 N ALA B 866 3.316 2.825 6.992 1.00 0.00 N ATOM 2245 CA ALA B 866 2.068 2.420 7.603 1.00 0.00 C ATOM 2246 C ALA B 866 2.132 2.506 9.134 1.00 0.00 C ATOM 2247 O ALA B 866 1.107 2.617 9.810 1.00 0.00 O ATOM 2248 CB ALA B 866 1.685 1.021 7.157 1.00 0.00 C ATOM 0 H ALA B 866 3.840 2.064 6.561 1.00 0.00 H new ATOM 0 HA ALA B 866 1.296 3.114 7.270 1.00 0.00 H new ATOM 0 HB1 ALA B 866 0.744 0.734 7.627 1.00 0.00 H new ATOM 0 HB2 ALA B 866 1.570 1.003 6.073 1.00 0.00 H new ATOM 0 HB3 ALA B 866 2.466 0.319 7.450 1.00 0.00 H new ATOM 2254 N ALA B 867 3.338 2.456 9.668 1.00 0.00 N ATOM 2255 CA ALA B 867 3.549 2.549 11.096 1.00 0.00 C ATOM 2256 C ALA B 867 3.687 4.007 11.523 1.00 0.00 C ATOM 2257 O ALA B 867 3.794 4.316 12.720 1.00 0.00 O ATOM 2258 CB ALA B 867 4.778 1.752 11.508 1.00 0.00 C ATOM 0 H ALA B 867 4.195 2.350 9.124 1.00 0.00 H new ATOM 0 HA ALA B 867 2.681 2.125 11.600 1.00 0.00 H new ATOM 0 HB1 ALA B 867 4.920 1.834 12.586 1.00 0.00 H new ATOM 0 HB2 ALA B 867 4.640 0.705 11.239 1.00 0.00 H new ATOM 0 HB3 ALA B 867 5.656 2.145 10.995 1.00 0.00 H new ATOM 2264 N LEU B 868 3.707 4.893 10.551 1.00 0.00 N ATOM 2265 CA LEU B 868 3.802 6.310 10.812 1.00 0.00 C ATOM 2266 C LEU B 868 2.499 6.887 11.253 1.00 0.00 C ATOM 2267 O LEU B 868 1.416 6.329 11.024 1.00 0.00 O ATOM 2268 CB LEU B 868 4.296 7.096 9.601 1.00 0.00 C ATOM 2269 CG LEU B 868 5.746 6.915 9.204 1.00 0.00 C ATOM 2270 CD1 LEU B 868 6.057 7.786 8.011 1.00 0.00 C ATOM 2271 CD2 LEU B 868 6.657 7.257 10.370 1.00 0.00 C ATOM 0 H LEU B 868 3.658 4.651 9.561 1.00 0.00 H new ATOM 0 HA LEU B 868 4.531 6.404 11.616 1.00 0.00 H new ATOM 0 HB2 LEU B 868 3.675 6.826 8.747 1.00 0.00 H new ATOM 0 HB3 LEU B 868 4.128 8.156 9.794 1.00 0.00 H new ATOM 0 HG LEU B 868 5.917 5.873 8.933 1.00 0.00 H new ATOM 0 HD11 LEU B 868 7.101 7.654 7.727 1.00 0.00 H new ATOM 0 HD12 LEU B 868 5.415 7.503 7.177 1.00 0.00 H new ATOM 0 HD13 LEU B 868 5.880 8.831 8.267 1.00 0.00 H new ATOM 0 HD21 LEU B 868 7.697 7.123 10.071 1.00 0.00 H new ATOM 0 HD22 LEU B 868 6.496 8.294 10.666 1.00 0.00 H new ATOM 0 HD23 LEU B 868 6.434 6.601 11.211 1.00 0.00 H new ATOM 2283 N SER B 869 2.604 7.988 11.895 1.00 0.00 N ATOM 2284 CA SER B 869 1.484 8.702 12.305 1.00 0.00 C ATOM 2285 C SER B 869 1.161 9.734 11.239 1.00 0.00 C ATOM 2286 O SER B 869 2.048 10.090 10.438 1.00 0.00 O ATOM 2287 CB SER B 869 1.756 9.332 13.663 1.00 0.00 C ATOM 2288 OG SER B 869 2.165 8.335 14.596 1.00 0.00 O ATOM 0 H SER B 869 3.494 8.417 12.149 1.00 0.00 H new ATOM 0 HA SER B 869 0.618 8.051 12.422 1.00 0.00 H new ATOM 0 HB2 SER B 869 2.531 10.093 13.570 1.00 0.00 H new ATOM 0 HB3 SER B 869 0.859 9.833 14.026 1.00 0.00 H new ATOM 0 HG SER B 869 3.107 8.110 14.443 1.00 0.00 H new ATOM 2294 N GLN B 870 -0.094 10.195 11.212 1.00 0.00 N ATOM 2295 CA GLN B 870 -0.570 11.189 10.244 1.00 0.00 C ATOM 2296 C GLN B 870 0.390 12.360 10.191 1.00 0.00 C ATOM 2297 O GLN B 870 0.793 12.763 9.128 1.00 0.00 O ATOM 2298 CB GLN B 870 -1.976 11.694 10.634 1.00 0.00 C ATOM 2299 CG GLN B 870 -2.570 12.769 9.710 1.00 0.00 C ATOM 2300 CD GLN B 870 -3.107 12.217 8.415 1.00 0.00 C ATOM 2301 OE1 GLN B 870 -4.266 11.857 8.316 1.00 0.00 O ATOM 2302 NE2 GLN B 870 -2.286 12.160 7.421 1.00 0.00 N ATOM 0 H GLN B 870 -0.813 9.887 11.866 1.00 0.00 H new ATOM 0 HA GLN B 870 -0.623 10.717 9.263 1.00 0.00 H new ATOM 0 HB2 GLN B 870 -2.656 10.842 10.657 1.00 0.00 H new ATOM 0 HB3 GLN B 870 -1.932 12.094 11.647 1.00 0.00 H new ATOM 0 HG2 GLN B 870 -3.372 13.286 10.236 1.00 0.00 H new ATOM 0 HG3 GLN B 870 -1.803 13.511 9.489 1.00 0.00 H new ATOM 0 HE21 GLN B 870 -1.321 12.470 7.538 1.00 0.00 H new ATOM 0 HE22 GLN B 870 -2.602 11.805 6.518 1.00 0.00 H new ATOM 2311 N ASP B 871 0.771 12.846 11.350 1.00 0.00 N ATOM 2312 CA ASP B 871 1.700 13.978 11.500 1.00 0.00 C ATOM 2313 C ASP B 871 3.009 13.732 10.762 1.00 0.00 C ATOM 2314 O ASP B 871 3.421 14.534 9.924 1.00 0.00 O ATOM 2315 CB ASP B 871 1.990 14.189 12.985 1.00 0.00 C ATOM 2316 CG ASP B 871 3.064 15.217 13.246 1.00 0.00 C ATOM 2317 OD1 ASP B 871 4.241 14.850 13.327 1.00 0.00 O ATOM 2318 OD2 ASP B 871 2.735 16.404 13.421 1.00 0.00 O ATOM 0 H ASP B 871 0.446 12.469 12.240 1.00 0.00 H new ATOM 0 HA ASP B 871 1.232 14.863 11.069 1.00 0.00 H new ATOM 0 HB2 ASP B 871 1.073 14.497 13.486 1.00 0.00 H new ATOM 0 HB3 ASP B 871 2.291 13.239 13.427 1.00 0.00 H new ATOM 2323 N GLU B 872 3.606 12.592 11.044 1.00 0.00 N ATOM 2324 CA GLU B 872 4.895 12.208 10.498 1.00 0.00 C ATOM 2325 C GLU B 872 4.836 12.147 8.987 1.00 0.00 C ATOM 2326 O GLU B 872 5.605 12.813 8.293 1.00 0.00 O ATOM 2327 CB GLU B 872 5.303 10.855 11.058 1.00 0.00 C ATOM 2328 CG GLU B 872 5.318 10.807 12.568 1.00 0.00 C ATOM 2329 CD GLU B 872 5.752 9.479 13.102 1.00 0.00 C ATOM 2330 OE1 GLU B 872 4.937 8.537 13.110 1.00 0.00 O ATOM 2331 OE2 GLU B 872 6.914 9.358 13.541 1.00 0.00 O ATOM 0 H GLU B 872 3.204 11.894 11.669 1.00 0.00 H new ATOM 0 HA GLU B 872 5.635 12.956 10.783 1.00 0.00 H new ATOM 0 HB2 GLU B 872 4.617 10.095 10.685 1.00 0.00 H new ATOM 0 HB3 GLU B 872 6.295 10.600 10.684 1.00 0.00 H new ATOM 0 HG2 GLU B 872 5.987 11.581 12.945 1.00 0.00 H new ATOM 0 HG3 GLU B 872 4.321 11.036 12.944 1.00 0.00 H new ATOM 2338 N LEU B 873 3.881 11.393 8.481 1.00 0.00 N ATOM 2339 CA LEU B 873 3.722 11.244 7.054 1.00 0.00 C ATOM 2340 C LEU B 873 3.299 12.560 6.380 1.00 0.00 C ATOM 2341 O LEU B 873 3.640 12.811 5.239 1.00 0.00 O ATOM 2342 CB LEU B 873 2.828 10.021 6.703 1.00 0.00 C ATOM 2343 CG LEU B 873 1.450 9.909 7.351 1.00 0.00 C ATOM 2344 CD1 LEU B 873 0.448 10.740 6.614 1.00 0.00 C ATOM 2345 CD2 LEU B 873 0.999 8.461 7.437 1.00 0.00 C ATOM 0 H LEU B 873 3.204 10.874 9.040 1.00 0.00 H new ATOM 0 HA LEU B 873 4.698 11.016 6.626 1.00 0.00 H new ATOM 0 HB2 LEU B 873 2.686 10.015 5.622 1.00 0.00 H new ATOM 0 HB3 LEU B 873 3.386 9.120 6.957 1.00 0.00 H new ATOM 0 HG LEU B 873 1.526 10.293 8.368 1.00 0.00 H new ATOM 0 HD11 LEU B 873 -0.526 10.645 7.093 1.00 0.00 H new ATOM 0 HD12 LEU B 873 0.760 11.784 6.629 1.00 0.00 H new ATOM 0 HD13 LEU B 873 0.380 10.397 5.582 1.00 0.00 H new ATOM 0 HD21 LEU B 873 0.015 8.414 7.903 1.00 0.00 H new ATOM 0 HD22 LEU B 873 0.947 8.036 6.435 1.00 0.00 H new ATOM 0 HD23 LEU B 873 1.711 7.893 8.035 1.00 0.00 H new ATOM 2357 N THR B 874 2.625 13.415 7.122 1.00 0.00 N ATOM 2358 CA THR B 874 2.231 14.715 6.634 1.00 0.00 C ATOM 2359 C THR B 874 3.468 15.589 6.385 1.00 0.00 C ATOM 2360 O THR B 874 3.643 16.119 5.282 1.00 0.00 O ATOM 2361 CB THR B 874 1.243 15.391 7.625 1.00 0.00 C ATOM 2362 OG1 THR B 874 -0.009 14.688 7.622 1.00 0.00 O ATOM 2363 CG2 THR B 874 1.015 16.856 7.338 1.00 0.00 C ATOM 0 H THR B 874 2.336 13.225 8.082 1.00 0.00 H new ATOM 0 HA THR B 874 1.713 14.594 5.683 1.00 0.00 H new ATOM 0 HB THR B 874 1.703 15.337 8.612 1.00 0.00 H new ATOM 0 HG1 THR B 874 0.066 13.883 8.176 1.00 0.00 H new ATOM 0 HG21 THR B 874 0.315 17.265 8.067 1.00 0.00 H new ATOM 0 HG22 THR B 874 1.962 17.391 7.404 1.00 0.00 H new ATOM 0 HG23 THR B 874 0.603 16.970 6.336 1.00 0.00 H new ATOM 2371 N SER B 875 4.344 15.666 7.373 1.00 0.00 N ATOM 2372 CA SER B 875 5.550 16.459 7.277 1.00 0.00 C ATOM 2373 C SER B 875 6.502 15.904 6.207 1.00 0.00 C ATOM 2374 O SER B 875 7.249 16.655 5.575 1.00 0.00 O ATOM 2375 CB SER B 875 6.223 16.522 8.640 1.00 0.00 C ATOM 2376 OG SER B 875 5.320 17.040 9.611 1.00 0.00 O ATOM 0 H SER B 875 4.236 15.179 8.263 1.00 0.00 H new ATOM 0 HA SER B 875 5.284 17.470 6.968 1.00 0.00 H new ATOM 0 HB2 SER B 875 6.555 15.527 8.936 1.00 0.00 H new ATOM 0 HB3 SER B 875 7.111 17.152 8.586 1.00 0.00 H new ATOM 0 HG SER B 875 4.644 16.363 9.823 1.00 0.00 H new ATOM 2382 N ILE B 876 6.473 14.600 6.009 1.00 0.00 N ATOM 2383 CA ILE B 876 7.282 13.978 4.983 1.00 0.00 C ATOM 2384 C ILE B 876 6.736 14.321 3.592 1.00 0.00 C ATOM 2385 O ILE B 876 7.472 14.815 2.739 1.00 0.00 O ATOM 2386 CB ILE B 876 7.387 12.435 5.175 1.00 0.00 C ATOM 2387 CG1 ILE B 876 8.112 12.123 6.493 1.00 0.00 C ATOM 2388 CG2 ILE B 876 8.105 11.784 3.995 1.00 0.00 C ATOM 2389 CD1 ILE B 876 8.219 10.646 6.815 1.00 0.00 C ATOM 0 H ILE B 876 5.897 13.952 6.546 1.00 0.00 H new ATOM 0 HA ILE B 876 8.292 14.379 5.072 1.00 0.00 H new ATOM 0 HB ILE B 876 6.380 12.020 5.219 1.00 0.00 H new ATOM 0 HG12 ILE B 876 9.115 12.547 6.451 1.00 0.00 H new ATOM 0 HG13 ILE B 876 7.589 12.623 7.308 1.00 0.00 H new ATOM 0 HG21 ILE B 876 8.165 10.707 4.154 1.00 0.00 H new ATOM 0 HG22 ILE B 876 7.552 11.985 3.077 1.00 0.00 H new ATOM 0 HG23 ILE B 876 9.111 12.194 3.910 1.00 0.00 H new ATOM 0 HD11 ILE B 876 8.744 10.517 7.761 1.00 0.00 H new ATOM 0 HD12 ILE B 876 7.220 10.217 6.893 1.00 0.00 H new ATOM 0 HD13 ILE B 876 8.770 10.140 6.022 1.00 0.00 H new ATOM 2401 N LEU B 877 5.449 14.095 3.392 1.00 0.00 N ATOM 2402 CA LEU B 877 4.793 14.361 2.107 1.00 0.00 C ATOM 2403 C LEU B 877 4.774 15.842 1.763 1.00 0.00 C ATOM 2404 O LEU B 877 5.018 16.225 0.617 1.00 0.00 O ATOM 2405 CB LEU B 877 3.371 13.770 2.067 1.00 0.00 C ATOM 2406 CG LEU B 877 3.243 12.275 1.681 1.00 0.00 C ATOM 2407 CD1 LEU B 877 4.073 11.380 2.566 1.00 0.00 C ATOM 2408 CD2 LEU B 877 1.794 11.841 1.722 1.00 0.00 C ATOM 0 H LEU B 877 4.825 13.723 4.108 1.00 0.00 H new ATOM 0 HA LEU B 877 5.390 13.861 1.344 1.00 0.00 H new ATOM 0 HB2 LEU B 877 2.919 13.906 3.050 1.00 0.00 H new ATOM 0 HB3 LEU B 877 2.781 14.354 1.361 1.00 0.00 H new ATOM 0 HG LEU B 877 3.625 12.176 0.665 1.00 0.00 H new ATOM 0 HD11 LEU B 877 3.948 10.343 2.254 1.00 0.00 H new ATOM 0 HD12 LEU B 877 5.123 11.660 2.484 1.00 0.00 H new ATOM 0 HD13 LEU B 877 3.748 11.489 3.601 1.00 0.00 H new ATOM 0 HD21 LEU B 877 1.722 10.788 1.448 1.00 0.00 H new ATOM 0 HD22 LEU B 877 1.400 11.982 2.729 1.00 0.00 H new ATOM 0 HD23 LEU B 877 1.215 12.439 1.019 1.00 0.00 H new ATOM 2420 N GLY B 878 4.500 16.670 2.739 1.00 0.00 N ATOM 2421 CA GLY B 878 4.478 18.096 2.508 1.00 0.00 C ATOM 2422 C GLY B 878 3.110 18.577 2.103 1.00 0.00 C ATOM 2423 O GLY B 878 2.941 19.724 1.687 1.00 0.00 O ATOM 0 H GLY B 878 4.290 16.386 3.696 1.00 0.00 H new ATOM 0 HA2 GLY B 878 4.792 18.615 3.413 1.00 0.00 H new ATOM 0 HA3 GLY B 878 5.197 18.349 1.729 1.00 0.00 H new ATOM 2427 N ASN B 879 2.143 17.686 2.174 1.00 0.00 N ATOM 2428 CA ASN B 879 0.779 18.011 1.887 1.00 0.00 C ATOM 2429 C ASN B 879 -0.132 17.248 2.805 1.00 0.00 C ATOM 2430 O ASN B 879 -0.163 16.014 2.772 1.00 0.00 O ATOM 2431 CB ASN B 879 0.429 17.673 0.463 1.00 0.00 C ATOM 2432 CG ASN B 879 0.140 18.887 -0.374 1.00 0.00 C ATOM 2433 OD1 ASN B 879 1.019 19.403 -1.065 1.00 0.00 O ATOM 2434 ND2 ASN B 879 -1.062 19.395 -0.280 1.00 0.00 N ATOM 0 H ASN B 879 2.292 16.711 2.435 1.00 0.00 H new ATOM 0 HA ASN B 879 0.652 19.083 2.037 1.00 0.00 H new ATOM 0 HB2 ASN B 879 1.252 17.117 0.014 1.00 0.00 H new ATOM 0 HB3 ASN B 879 -0.441 17.017 0.454 1.00 0.00 H new ATOM 0 HD21 ASN B 879 -1.297 20.247 -0.789 1.00 0.00 H new ATOM 0 HD22 ASN B 879 -1.764 18.939 0.303 1.00 0.00 H new ATOM 2441 N ALA B 880 -0.868 17.970 3.604 1.00 0.00 N ATOM 2442 CA ALA B 880 -1.774 17.408 4.591 1.00 0.00 C ATOM 2443 C ALA B 880 -2.888 16.574 3.959 1.00 0.00 C ATOM 2444 O ALA B 880 -3.209 15.493 4.459 1.00 0.00 O ATOM 2445 CB ALA B 880 -2.354 18.518 5.435 1.00 0.00 C ATOM 0 H ALA B 880 -0.861 18.990 3.594 1.00 0.00 H new ATOM 0 HA ALA B 880 -1.198 16.729 5.220 1.00 0.00 H new ATOM 0 HB1 ALA B 880 -3.034 18.095 6.175 1.00 0.00 H new ATOM 0 HB2 ALA B 880 -1.548 19.048 5.943 1.00 0.00 H new ATOM 0 HB3 ALA B 880 -2.900 19.213 4.797 1.00 0.00 H new ATOM 2451 N ALA B 881 -3.462 17.070 2.870 1.00 0.00 N ATOM 2452 CA ALA B 881 -4.540 16.375 2.162 1.00 0.00 C ATOM 2453 C ALA B 881 -4.058 15.045 1.624 1.00 0.00 C ATOM 2454 O ALA B 881 -4.677 14.012 1.864 1.00 0.00 O ATOM 2455 CB ALA B 881 -5.065 17.223 1.030 1.00 0.00 C ATOM 0 H ALA B 881 -3.198 17.961 2.451 1.00 0.00 H new ATOM 0 HA ALA B 881 -5.346 16.195 2.873 1.00 0.00 H new ATOM 0 HB1 ALA B 881 -5.865 16.690 0.516 1.00 0.00 H new ATOM 0 HB2 ALA B 881 -5.452 18.161 1.427 1.00 0.00 H new ATOM 0 HB3 ALA B 881 -4.258 17.431 0.327 1.00 0.00 H new ATOM 2461 N ASN B 882 -2.935 15.091 0.914 1.00 0.00 N ATOM 2462 CA ASN B 882 -2.263 13.903 0.349 1.00 0.00 C ATOM 2463 C ASN B 882 -2.037 12.890 1.431 1.00 0.00 C ATOM 2464 O ASN B 882 -2.377 11.713 1.296 1.00 0.00 O ATOM 2465 CB ASN B 882 -0.888 14.290 -0.194 1.00 0.00 C ATOM 2466 CG ASN B 882 -0.901 15.188 -1.408 1.00 0.00 C ATOM 2467 OD1 ASN B 882 -1.852 15.924 -1.659 1.00 0.00 O ATOM 2468 ND2 ASN B 882 0.180 15.179 -2.129 1.00 0.00 N ATOM 0 H ASN B 882 -2.450 15.964 0.706 1.00 0.00 H new ATOM 0 HA ASN B 882 -2.893 13.499 -0.443 1.00 0.00 H new ATOM 0 HB2 ASN B 882 -0.330 14.787 0.599 1.00 0.00 H new ATOM 0 HB3 ASN B 882 -0.345 13.379 -0.443 1.00 0.00 H new ATOM 0 HD21 ASN B 882 0.260 15.798 -2.936 1.00 0.00 H new ATOM 0 HD22 ASN B 882 0.948 14.553 -1.888 1.00 0.00 H new ATOM 2475 N ALA B 883 -1.482 13.383 2.522 1.00 0.00 N ATOM 2476 CA ALA B 883 -1.167 12.597 3.680 1.00 0.00 C ATOM 2477 C ALA B 883 -2.404 11.944 4.236 1.00 0.00 C ATOM 2478 O ALA B 883 -2.376 10.789 4.622 1.00 0.00 O ATOM 2479 CB ALA B 883 -0.540 13.488 4.719 1.00 0.00 C ATOM 0 H ALA B 883 -1.235 14.368 2.621 1.00 0.00 H new ATOM 0 HA ALA B 883 -0.469 11.809 3.398 1.00 0.00 H new ATOM 0 HB1 ALA B 883 -0.297 12.900 5.604 1.00 0.00 H new ATOM 0 HB2 ALA B 883 0.371 13.931 4.316 1.00 0.00 H new ATOM 0 HB3 ALA B 883 -1.239 14.279 4.990 1.00 0.00 H new ATOM 2485 N LYS B 884 -3.475 12.695 4.294 1.00 0.00 N ATOM 2486 CA LYS B 884 -4.737 12.203 4.791 1.00 0.00 C ATOM 2487 C LYS B 884 -5.257 11.060 3.933 1.00 0.00 C ATOM 2488 O LYS B 884 -5.670 10.034 4.464 1.00 0.00 O ATOM 2489 CB LYS B 884 -5.775 13.330 4.842 1.00 0.00 C ATOM 2490 CG LYS B 884 -7.169 12.853 5.196 1.00 0.00 C ATOM 2491 CD LYS B 884 -7.261 12.415 6.660 1.00 0.00 C ATOM 2492 CE LYS B 884 -7.743 10.977 6.813 1.00 0.00 C ATOM 2493 NZ LYS B 884 -9.119 10.774 6.311 1.00 0.00 N ATOM 0 H LYS B 884 -3.497 13.670 3.996 1.00 0.00 H new ATOM 0 HA LYS B 884 -4.570 11.828 5.801 1.00 0.00 H new ATOM 0 HB2 LYS B 884 -5.457 14.073 5.574 1.00 0.00 H new ATOM 0 HB3 LYS B 884 -5.805 13.829 3.873 1.00 0.00 H new ATOM 0 HG2 LYS B 884 -7.886 13.653 5.009 1.00 0.00 H new ATOM 0 HG3 LYS B 884 -7.444 12.020 4.549 1.00 0.00 H new ATOM 0 HD2 LYS B 884 -6.282 12.518 7.128 1.00 0.00 H new ATOM 0 HD3 LYS B 884 -7.940 13.081 7.192 1.00 0.00 H new ATOM 0 HE2 LYS B 884 -7.065 10.313 6.277 1.00 0.00 H new ATOM 0 HE3 LYS B 884 -7.700 10.695 7.865 1.00 0.00 H new ATOM 0 HZ1 LYS B 884 -9.486 9.867 6.662 1.00 0.00 H new ATOM 0 HZ2 LYS B 884 -9.728 11.547 6.646 1.00 0.00 H new ATOM 0 HZ3 LYS B 884 -9.111 10.765 5.271 1.00 0.00 H new ATOM 2507 N GLN B 885 -5.196 11.234 2.620 1.00 0.00 N ATOM 2508 CA GLN B 885 -5.735 10.254 1.683 1.00 0.00 C ATOM 2509 C GLN B 885 -5.003 8.928 1.851 1.00 0.00 C ATOM 2510 O GLN B 885 -5.621 7.865 1.994 1.00 0.00 O ATOM 2511 CB GLN B 885 -5.535 10.716 0.235 1.00 0.00 C ATOM 2512 CG GLN B 885 -6.016 12.123 -0.128 1.00 0.00 C ATOM 2513 CD GLN B 885 -7.410 12.453 0.344 1.00 0.00 C ATOM 2514 OE1 GLN B 885 -8.392 12.177 -0.339 1.00 0.00 O ATOM 2515 NE2 GLN B 885 -7.494 13.130 1.456 1.00 0.00 N ATOM 0 H GLN B 885 -4.776 12.050 2.176 1.00 0.00 H new ATOM 0 HA GLN B 885 -6.799 10.142 1.892 1.00 0.00 H new ATOM 0 HB2 GLN B 885 -4.471 10.654 0.006 1.00 0.00 H new ATOM 0 HB3 GLN B 885 -6.044 10.007 -0.418 1.00 0.00 H new ATOM 0 HG2 GLN B 885 -5.322 12.850 0.295 1.00 0.00 H new ATOM 0 HG3 GLN B 885 -5.977 12.238 -1.211 1.00 0.00 H new ATOM 0 HE21 GLN B 885 -6.651 13.337 1.992 1.00 0.00 H new ATOM 0 HE22 GLN B 885 -8.402 13.452 1.789 1.00 0.00 H new ATOM 2524 N LEU B 886 -3.688 9.033 1.873 1.00 0.00 N ATOM 2525 CA LEU B 886 -2.792 7.904 1.955 1.00 0.00 C ATOM 2526 C LEU B 886 -2.961 7.205 3.318 1.00 0.00 C ATOM 2527 O LEU B 886 -3.192 5.992 3.382 1.00 0.00 O ATOM 2528 CB LEU B 886 -1.353 8.428 1.759 1.00 0.00 C ATOM 2529 CG LEU B 886 -0.359 7.507 1.041 1.00 0.00 C ATOM 2530 CD1 LEU B 886 0.948 8.232 0.782 1.00 0.00 C ATOM 2531 CD2 LEU B 886 -0.099 6.243 1.819 1.00 0.00 C ATOM 0 H LEU B 886 -3.205 9.930 1.833 1.00 0.00 H new ATOM 0 HA LEU B 886 -3.014 7.168 1.183 1.00 0.00 H new ATOM 0 HB2 LEU B 886 -1.408 9.364 1.202 1.00 0.00 H new ATOM 0 HB3 LEU B 886 -0.944 8.665 2.741 1.00 0.00 H new ATOM 0 HG LEU B 886 -0.810 7.227 0.089 1.00 0.00 H new ATOM 0 HD11 LEU B 886 1.641 7.562 0.272 1.00 0.00 H new ATOM 0 HD12 LEU B 886 0.762 9.106 0.158 1.00 0.00 H new ATOM 0 HD13 LEU B 886 1.382 8.549 1.730 1.00 0.00 H new ATOM 0 HD21 LEU B 886 0.610 5.620 1.274 1.00 0.00 H new ATOM 0 HD22 LEU B 886 0.315 6.495 2.795 1.00 0.00 H new ATOM 0 HD23 LEU B 886 -1.034 5.698 1.951 1.00 0.00 H new ATOM 2543 N TYR B 887 -2.882 7.993 4.392 1.00 0.00 N ATOM 2544 CA TYR B 887 -3.042 7.501 5.768 1.00 0.00 C ATOM 2545 C TYR B 887 -4.352 6.749 5.952 1.00 0.00 C ATOM 2546 O TYR B 887 -4.359 5.623 6.477 1.00 0.00 O ATOM 2547 CB TYR B 887 -2.951 8.682 6.768 1.00 0.00 C ATOM 2548 CG TYR B 887 -3.525 8.423 8.158 1.00 0.00 C ATOM 2549 CD1 TYR B 887 -2.794 7.779 9.150 1.00 0.00 C ATOM 2550 CD2 TYR B 887 -4.822 8.836 8.462 1.00 0.00 C ATOM 2551 CE1 TYR B 887 -3.349 7.551 10.401 1.00 0.00 C ATOM 2552 CE2 TYR B 887 -5.372 8.616 9.700 1.00 0.00 C ATOM 2553 CZ TYR B 887 -4.638 7.973 10.665 1.00 0.00 C ATOM 2554 OH TYR B 887 -5.201 7.744 11.901 1.00 0.00 O ATOM 0 H TYR B 887 -2.704 8.996 4.335 1.00 0.00 H new ATOM 0 HA TYR B 887 -2.233 6.798 5.966 1.00 0.00 H new ATOM 0 HB2 TYR B 887 -1.903 8.962 6.875 1.00 0.00 H new ATOM 0 HB3 TYR B 887 -3.468 9.539 6.336 1.00 0.00 H new ATOM 0 HD1 TYR B 887 -1.785 7.453 8.945 1.00 0.00 H new ATOM 0 HD2 TYR B 887 -5.406 9.340 7.707 1.00 0.00 H new ATOM 0 HE1 TYR B 887 -2.776 7.046 11.165 1.00 0.00 H new ATOM 0 HE2 TYR B 887 -6.377 8.947 9.914 1.00 0.00 H new ATOM 0 HH TYR B 887 -6.112 8.106 11.918 1.00 0.00 H new ATOM 2564 N ASP B 888 -5.438 7.367 5.502 1.00 0.00 N ATOM 2565 CA ASP B 888 -6.797 6.822 5.670 1.00 0.00 C ATOM 2566 C ASP B 888 -6.887 5.472 5.027 1.00 0.00 C ATOM 2567 O ASP B 888 -7.318 4.525 5.641 1.00 0.00 O ATOM 2568 CB ASP B 888 -7.825 7.747 5.017 1.00 0.00 C ATOM 2569 CG ASP B 888 -9.255 7.474 5.429 1.00 0.00 C ATOM 2570 OD1 ASP B 888 -9.940 6.661 4.794 1.00 0.00 O ATOM 2571 OD2 ASP B 888 -9.734 8.141 6.379 1.00 0.00 O ATOM 0 H ASP B 888 -5.411 8.260 5.010 1.00 0.00 H new ATOM 0 HA ASP B 888 -7.006 6.741 6.737 1.00 0.00 H new ATOM 0 HB2 ASP B 888 -7.578 8.779 5.265 1.00 0.00 H new ATOM 0 HB3 ASP B 888 -7.746 7.652 3.934 1.00 0.00 H new ATOM 2576 N PHE B 889 -6.380 5.402 3.811 1.00 0.00 N ATOM 2577 CA PHE B 889 -6.406 4.217 2.973 1.00 0.00 C ATOM 2578 C PHE B 889 -5.719 3.039 3.620 1.00 0.00 C ATOM 2579 O PHE B 889 -6.275 1.943 3.672 1.00 0.00 O ATOM 2580 CB PHE B 889 -5.768 4.528 1.625 1.00 0.00 C ATOM 2581 CG PHE B 889 -5.606 3.345 0.716 1.00 0.00 C ATOM 2582 CD1 PHE B 889 -6.640 2.929 -0.100 1.00 0.00 C ATOM 2583 CD2 PHE B 889 -4.405 2.661 0.673 1.00 0.00 C ATOM 2584 CE1 PHE B 889 -6.477 1.853 -0.933 1.00 0.00 C ATOM 2585 CE2 PHE B 889 -4.239 1.588 -0.162 1.00 0.00 C ATOM 2586 CZ PHE B 889 -5.271 1.183 -0.964 1.00 0.00 C ATOM 0 H PHE B 889 -5.923 6.196 3.363 1.00 0.00 H new ATOM 0 HA PHE B 889 -7.450 3.936 2.831 1.00 0.00 H new ATOM 0 HB2 PHE B 889 -6.374 5.278 1.117 1.00 0.00 H new ATOM 0 HB3 PHE B 889 -4.788 4.973 1.797 1.00 0.00 H new ATOM 0 HD1 PHE B 889 -7.583 3.455 -0.081 1.00 0.00 H new ATOM 0 HD2 PHE B 889 -3.588 2.977 1.305 1.00 0.00 H new ATOM 0 HE1 PHE B 889 -7.291 1.530 -1.564 1.00 0.00 H new ATOM 0 HE2 PHE B 889 -3.296 1.063 -0.187 1.00 0.00 H new ATOM 0 HZ PHE B 889 -5.141 0.337 -1.623 1.00 0.00 H new ATOM 2596 N ILE B 890 -4.517 3.265 4.097 1.00 0.00 N ATOM 2597 CA ILE B 890 -3.736 2.223 4.735 1.00 0.00 C ATOM 2598 C ILE B 890 -4.492 1.671 5.912 1.00 0.00 C ATOM 2599 O ILE B 890 -4.621 0.466 6.073 1.00 0.00 O ATOM 2600 CB ILE B 890 -2.384 2.776 5.238 1.00 0.00 C ATOM 2601 CG1 ILE B 890 -1.586 3.344 4.075 1.00 0.00 C ATOM 2602 CG2 ILE B 890 -1.582 1.694 5.965 1.00 0.00 C ATOM 2603 CD1 ILE B 890 -0.290 4.005 4.493 1.00 0.00 C ATOM 0 H ILE B 890 -4.052 4.172 4.056 1.00 0.00 H new ATOM 0 HA ILE B 890 -3.553 1.441 3.998 1.00 0.00 H new ATOM 0 HB ILE B 890 -2.585 3.576 5.950 1.00 0.00 H new ATOM 0 HG12 ILE B 890 -1.364 2.541 3.372 1.00 0.00 H new ATOM 0 HG13 ILE B 890 -2.201 4.072 3.545 1.00 0.00 H new ATOM 0 HG21 ILE B 890 -0.635 2.111 6.308 1.00 0.00 H new ATOM 0 HG22 ILE B 890 -2.151 1.333 6.822 1.00 0.00 H new ATOM 0 HG23 ILE B 890 -1.388 0.866 5.284 1.00 0.00 H new ATOM 0 HD11 ILE B 890 0.225 4.386 3.611 1.00 0.00 H new ATOM 0 HD12 ILE B 890 -0.505 4.830 5.173 1.00 0.00 H new ATOM 0 HD13 ILE B 890 0.345 3.276 4.997 1.00 0.00 H new ATOM 2615 N HIS B 891 -5.088 2.569 6.647 1.00 0.00 N ATOM 2616 CA HIS B 891 -5.712 2.240 7.903 1.00 0.00 C ATOM 2617 C HIS B 891 -7.189 1.940 7.743 1.00 0.00 C ATOM 2618 O HIS B 891 -7.934 1.864 8.731 1.00 0.00 O ATOM 2619 CB HIS B 891 -5.494 3.367 8.913 1.00 0.00 C ATOM 2620 CG HIS B 891 -4.064 3.500 9.301 1.00 0.00 C ATOM 2621 ND1 HIS B 891 -3.140 4.174 8.555 1.00 0.00 N ATOM 2622 CD2 HIS B 891 -3.390 2.957 10.332 1.00 0.00 C ATOM 2623 CE1 HIS B 891 -1.957 4.013 9.127 1.00 0.00 C ATOM 2624 NE2 HIS B 891 -2.048 3.284 10.220 1.00 0.00 N ATOM 0 H HIS B 891 -5.156 3.554 6.392 1.00 0.00 H new ATOM 0 HA HIS B 891 -5.240 1.332 8.278 1.00 0.00 H new ATOM 0 HB2 HIS B 891 -5.843 4.308 8.487 1.00 0.00 H new ATOM 0 HB3 HIS B 891 -6.095 3.178 9.803 1.00 0.00 H new ATOM 0 HD1 HIS B 891 -3.328 4.708 7.706 1.00 0.00 H new ATOM 0 HD2 HIS B 891 -3.826 2.361 11.121 1.00 0.00 H new ATOM 0 HE1 HIS B 891 -1.035 4.427 8.746 1.00 0.00 H new ATOM 2632 N THR B 892 -7.619 1.746 6.527 1.00 0.00 N ATOM 2633 CA THR B 892 -8.983 1.452 6.271 1.00 0.00 C ATOM 2634 C THR B 892 -9.054 0.173 5.418 1.00 0.00 C ATOM 2635 O THR B 892 -8.011 -0.416 5.075 1.00 0.00 O ATOM 2636 CB THR B 892 -9.730 2.664 5.605 1.00 0.00 C ATOM 2637 OG1 THR B 892 -11.157 2.518 5.760 1.00 0.00 O ATOM 2638 CG2 THR B 892 -9.419 2.759 4.119 1.00 0.00 C ATOM 0 H THR B 892 -7.029 1.789 5.696 1.00 0.00 H new ATOM 0 HA THR B 892 -9.503 1.278 7.213 1.00 0.00 H new ATOM 0 HB THR B 892 -9.384 3.570 6.103 1.00 0.00 H new ATOM 0 HG1 THR B 892 -11.611 3.280 5.343 1.00 0.00 H new ATOM 0 HG21 THR B 892 -9.951 3.608 3.689 1.00 0.00 H new ATOM 0 HG22 THR B 892 -8.347 2.895 3.980 1.00 0.00 H new ATOM 0 HG23 THR B 892 -9.736 1.842 3.622 1.00 0.00 H new ATOM 2646 N SER B 893 -10.242 -0.261 5.113 1.00 0.00 N ATOM 2647 CA SER B 893 -10.456 -1.468 4.375 1.00 0.00 C ATOM 2648 C SER B 893 -11.608 -1.226 3.418 1.00 0.00 C ATOM 2649 O SER B 893 -12.536 -0.511 3.755 1.00 0.00 O ATOM 2650 CB SER B 893 -10.853 -2.585 5.351 1.00 0.00 C ATOM 2651 OG SER B 893 -10.054 -2.553 6.515 1.00 0.00 O ATOM 0 H SER B 893 -11.101 0.222 5.375 1.00 0.00 H new ATOM 0 HA SER B 893 -9.554 -1.754 3.834 1.00 0.00 H new ATOM 0 HB2 SER B 893 -11.903 -2.477 5.624 1.00 0.00 H new ATOM 0 HB3 SER B 893 -10.749 -3.553 4.862 1.00 0.00 H new ATOM 0 HG SER B 893 -10.328 -3.273 7.120 1.00 0.00 H new ATOM 2657 N PHE B 894 -11.581 -1.820 2.253 1.00 0.00 N ATOM 2658 CA PHE B 894 -12.698 -1.656 1.324 1.00 0.00 C ATOM 2659 C PHE B 894 -13.923 -2.378 1.908 1.00 0.00 C ATOM 2660 O PHE B 894 -15.054 -1.941 1.779 1.00 0.00 O ATOM 2661 CB PHE B 894 -12.353 -2.194 -0.094 1.00 0.00 C ATOM 2662 CG PHE B 894 -12.417 -3.690 -0.259 1.00 0.00 C ATOM 2663 CD1 PHE B 894 -11.389 -4.495 0.177 1.00 0.00 C ATOM 2664 CD2 PHE B 894 -13.523 -4.286 -0.857 1.00 0.00 C ATOM 2665 CE1 PHE B 894 -11.455 -5.861 0.023 1.00 0.00 C ATOM 2666 CE2 PHE B 894 -13.588 -5.653 -1.012 1.00 0.00 C ATOM 2667 CZ PHE B 894 -12.553 -6.441 -0.569 1.00 0.00 C ATOM 0 H PHE B 894 -10.821 -2.412 1.918 1.00 0.00 H new ATOM 0 HA PHE B 894 -12.914 -0.594 1.205 1.00 0.00 H new ATOM 0 HB2 PHE B 894 -13.036 -1.738 -0.811 1.00 0.00 H new ATOM 0 HB3 PHE B 894 -11.348 -1.861 -0.354 1.00 0.00 H new ATOM 0 HD1 PHE B 894 -10.523 -4.051 0.644 1.00 0.00 H new ATOM 0 HD2 PHE B 894 -14.340 -3.670 -1.203 1.00 0.00 H new ATOM 0 HE1 PHE B 894 -10.641 -6.481 0.369 1.00 0.00 H new ATOM 0 HE2 PHE B 894 -14.450 -6.104 -1.480 1.00 0.00 H new ATOM 0 HZ PHE B 894 -12.601 -7.514 -0.685 1.00 0.00 H new