USER MOD reduce.3.24.130724 H: found=0, std=0, add=1031, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1033 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 515 TYR OH : rot 180:sc= -1.07 USER MOD Set 1.2: A 520 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0394) USER MOD Set 2.1: A 516 SER OG : rot 120:sc= -0.509 USER MOD Set 2.2: A 523 MET CE :methyl 134:sc= -0.243 (180deg=-2.22!) USER MOD Set 3.1: A 497 CYS SG : rot -108:sc= -4.09! USER MOD Set 3.2: A 512 MET CE :methyl -111:sc= -2.04 (180deg=-0.948) USER MOD Set 4.1: A 398 LYS NZ :NH3+ 157:sc= 0.625 (180deg=-0.314) USER MOD Set 4.2: A 472 GLN : amide:sc= 0.336 K(o=0.96,f=-3.3!) USER MOD Set 5.1: A 430 GLN : amide:sc= 0.0177 K(o=0.037,f=-1.1) USER MOD Set 5.2: A 432 TYR OH : rot -1:sc= 0.0193 USER MOD Set 5.3: A 476 THR OG1 : rot 180:sc= 0 USER MOD Set 6.1: A 409 GLN :FLIP amide:sc= 0.56 F(o=0.45,f=1.2) USER MOD Set 6.2: A 424 THR OG1 : rot -69:sc= 0.617 USER MOD Single : A 403 SER OG : rot 180:sc= 0 USER MOD Single : A 426 SER OG : rot 180:sc= 0 USER MOD Single : A 429 CYS SG : rot 26:sc= -2.18 USER MOD Single : A 434 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 438 ASN :FLIP amide:sc= 0 F(o=-0.87,f=0) USER MOD Single : A 440 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 441 THR OG1 : rot -8:sc= 0.498 USER MOD Single : A 443 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 446 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 447 LYS NZ :NH3+ -132:sc= 0.119 (180deg=0.00811) USER MOD Single : A 450 MET CE :methyl 135:sc= -0.324 (180deg=-1.17) USER MOD Single : A 451 GLN : amide:sc= -0.434 X(o=-0.43,f=0) USER MOD Single : A 455 GLN : amide:sc= -0.887 X(o=-0.89,f=-0.5) USER MOD Single : A 456 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 459 THR OG1 : rot -85:sc= 0.845 USER MOD Single : A 460 THR OG1 : rot 94:sc= 0.097 USER MOD Single : A 467 ASN : amide:sc= -0.582 K(o=-0.58,f=-2.2) USER MOD Single : A 468 SER OG : rot -109:sc= -0.724 USER MOD Single : A 470 MET CE :methyl -172:sc= 0 (180deg=-0.133) USER MOD Single : A 474 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 477 ASN : amide:sc= -0.0456 K(o=-0.046,f=-2.4!) USER MOD Single : A 478 LYS NZ :NH3+ -150:sc= 0.301 (180deg=0.0529) USER MOD Single : A 482 SER OG : rot 180:sc= 0 USER MOD Single : A 484 LYS NZ :NH3+ 152:sc= 0.563 (180deg=0.0253) USER MOD Single : A 487 TYR OH : rot 180:sc= 0 USER MOD Single : A 490 MET CE :methyl 163:sc= 0 (180deg=-0.0216) USER MOD Single : A 492 ASN : amide:sc= 0.882 K(o=0.88,f=0) USER MOD Single : A 499 HIS : no HE2:sc= -0.53 K(o=-0.53,f=-1.4) USER MOD Single : A 517 SER OG : rot -53:sc= 1.07 USER MOD Single : A 518 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0917) USER MOD Single : A 519 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0556) USER MOD Single : A 528 TYR OH : rot 180:sc= -1.18 USER MOD Single : A 530 GLN : amide:sc= 0.139 X(o=0.14,f=0.32) USER MOD Single : A 531 SER OG : rot 180:sc= 0 USER MOD Single : A 535 ASN : amide:sc= -0.0673 K(o=-0.067,f=-1.4!) USER MOD Single : A 539 GLN :FLIP amide:sc= -0.103 F(o=-3.3!,f=-0.1) USER MOD ----------------------------------------------------------------- ATOM 250 N LYS A 398 -16.416 8.174 5.981 1.00 60.24 N ATOM 251 CA LYS A 398 -15.552 8.905 5.029 1.00 24.15 C ATOM 252 C LYS A 398 -16.181 9.026 3.614 1.00 12.23 C ATOM 253 O LYS A 398 -16.996 8.192 3.210 1.00 74.42 O ATOM 254 CB LYS A 398 -14.174 8.203 4.936 1.00 61.43 C ATOM 255 CG LYS A 398 -13.405 8.116 6.272 1.00 61.44 C ATOM 256 CD LYS A 398 -11.971 7.556 6.105 1.00 43.32 C ATOM 257 CE LYS A 398 -11.293 7.236 7.451 1.00 52.22 C ATOM 258 NZ LYS A 398 -12.040 6.189 8.202 1.00 42.25 N ATOM 0 HA LYS A 398 -15.436 9.919 5.411 1.00 24.15 H new ATOM 0 HB2 LYS A 398 -14.320 7.194 4.550 1.00 61.43 H new ATOM 0 HB3 LYS A 398 -13.558 8.735 4.211 1.00 61.43 H new ATOM 0 HG2 LYS A 398 -13.353 9.108 6.721 1.00 61.44 H new ATOM 0 HG3 LYS A 398 -13.959 7.482 6.964 1.00 61.44 H new ATOM 0 HD2 LYS A 398 -12.008 6.651 5.498 1.00 43.32 H new ATOM 0 HD3 LYS A 398 -11.364 8.280 5.561 1.00 43.32 H new ATOM 0 HE2 LYS A 398 -10.271 6.900 7.274 1.00 52.22 H new ATOM 0 HE3 LYS A 398 -11.231 8.143 8.053 1.00 52.22 H new ATOM 0 HZ1 LYS A 398 -11.400 5.721 8.875 1.00 42.25 H new ATOM 0 HZ2 LYS A 398 -12.827 6.629 8.721 1.00 42.25 H new ATOM 0 HZ3 LYS A 398 -12.416 5.485 7.535 1.00 42.25 H new ATOM 272 N LEU A 399 -15.778 10.079 2.879 1.00 54.14 N ATOM 273 CA LEU A 399 -16.274 10.375 1.509 1.00 21.33 C ATOM 274 C LEU A 399 -15.281 9.895 0.428 1.00 33.13 C ATOM 275 O LEU A 399 -14.075 9.792 0.671 1.00 34.11 O ATOM 276 CB LEU A 399 -16.552 11.898 1.343 1.00 43.31 C ATOM 277 CG LEU A 399 -17.923 12.416 1.888 1.00 10.21 C ATOM 278 CD1 LEU A 399 -18.108 12.132 3.391 1.00 25.32 C ATOM 279 CD2 LEU A 399 -18.095 13.912 1.575 1.00 2.21 C ATOM 0 H LEU A 399 -15.094 10.757 3.216 1.00 54.14 H new ATOM 0 HA LEU A 399 -17.207 9.828 1.375 1.00 21.33 H new ATOM 0 HB2 LEU A 399 -15.755 12.448 1.844 1.00 43.31 H new ATOM 0 HB3 LEU A 399 -16.491 12.143 0.283 1.00 43.31 H new ATOM 0 HG LEU A 399 -18.707 11.860 1.373 1.00 10.21 H new ATOM 0 HD11 LEU A 399 -19.076 12.512 3.717 1.00 25.32 H new ATOM 0 HD12 LEU A 399 -18.063 11.057 3.566 1.00 25.32 H new ATOM 0 HD13 LEU A 399 -17.316 12.625 3.955 1.00 25.32 H new ATOM 0 HD21 LEU A 399 -19.054 14.257 1.961 1.00 2.21 H new ATOM 0 HD22 LEU A 399 -17.290 14.477 2.046 1.00 2.21 H new ATOM 0 HD23 LEU A 399 -18.062 14.064 0.496 1.00 2.21 H new ATOM 291 N LEU A 400 -15.817 9.648 -0.780 1.00 25.03 N ATOM 292 CA LEU A 400 -15.040 9.150 -1.932 1.00 74.12 C ATOM 293 C LEU A 400 -14.196 10.287 -2.574 1.00 73.13 C ATOM 294 O LEU A 400 -14.720 11.112 -3.325 1.00 32.10 O ATOM 295 CB LEU A 400 -16.008 8.521 -2.981 1.00 72.21 C ATOM 296 CG LEU A 400 -15.351 7.955 -4.279 1.00 12.41 C ATOM 297 CD1 LEU A 400 -14.341 6.842 -3.957 1.00 35.22 C ATOM 298 CD2 LEU A 400 -16.412 7.467 -5.296 1.00 41.31 C ATOM 0 H LEU A 400 -16.806 9.788 -0.987 1.00 25.03 H new ATOM 0 HA LEU A 400 -14.346 8.386 -1.582 1.00 74.12 H new ATOM 0 HB2 LEU A 400 -16.559 7.714 -2.497 1.00 72.21 H new ATOM 0 HB3 LEU A 400 -16.738 9.277 -3.269 1.00 72.21 H new ATOM 0 HG LEU A 400 -14.806 8.776 -4.745 1.00 12.41 H new ATOM 0 HD11 LEU A 400 -13.902 6.470 -4.883 1.00 35.22 H new ATOM 0 HD12 LEU A 400 -13.554 7.239 -3.316 1.00 35.22 H new ATOM 0 HD13 LEU A 400 -14.850 6.026 -3.443 1.00 35.22 H new ATOM 0 HD21 LEU A 400 -15.913 7.081 -6.185 1.00 41.31 H new ATOM 0 HD22 LEU A 400 -17.012 6.677 -4.845 1.00 41.31 H new ATOM 0 HD23 LEU A 400 -17.058 8.299 -5.575 1.00 41.31 H new ATOM 310 N ALA A 401 -12.893 10.334 -2.240 1.00 33.21 N ATOM 311 CA ALA A 401 -11.939 11.302 -2.832 1.00 1.11 C ATOM 312 C ALA A 401 -11.495 10.861 -4.243 1.00 2.11 C ATOM 313 O ALA A 401 -11.470 11.661 -5.188 1.00 22.14 O ATOM 314 CB ALA A 401 -10.715 11.451 -1.919 1.00 73.02 C ATOM 0 H ALA A 401 -12.469 9.707 -1.556 1.00 33.21 H new ATOM 0 HA ALA A 401 -12.444 12.264 -2.924 1.00 1.11 H new ATOM 0 HB1 ALA A 401 -10.017 12.164 -2.359 1.00 73.02 H new ATOM 0 HB2 ALA A 401 -11.033 11.811 -0.941 1.00 73.02 H new ATOM 0 HB3 ALA A 401 -10.224 10.484 -1.808 1.00 73.02 H new ATOM 320 N TRP A 402 -11.167 9.566 -4.368 1.00 45.43 N ATOM 321 CA TRP A 402 -10.586 8.992 -5.598 1.00 12.44 C ATOM 322 C TRP A 402 -11.083 7.552 -5.826 1.00 1.14 C ATOM 323 O TRP A 402 -11.278 6.801 -4.874 1.00 64.25 O ATOM 324 CB TRP A 402 -9.031 9.006 -5.511 1.00 35.20 C ATOM 325 CG TRP A 402 -8.344 8.540 -6.780 1.00 72.42 C ATOM 326 CD1 TRP A 402 -8.173 9.260 -7.926 1.00 43.42 C ATOM 327 CD2 TRP A 402 -7.753 7.246 -7.036 1.00 53.20 C ATOM 328 NE1 TRP A 402 -7.517 8.512 -8.863 1.00 2.13 N ATOM 329 CE2 TRP A 402 -7.247 7.275 -8.346 1.00 2.04 C ATOM 330 CE3 TRP A 402 -7.606 6.074 -6.287 1.00 42.01 C ATOM 331 CZ2 TRP A 402 -6.609 6.182 -8.928 1.00 45.22 C ATOM 332 CZ3 TRP A 402 -6.967 4.990 -6.863 1.00 74.03 C ATOM 333 CH2 TRP A 402 -6.476 5.053 -8.173 1.00 40.14 C ATOM 0 H TRP A 402 -11.296 8.884 -3.620 1.00 45.43 H new ATOM 0 HA TRP A 402 -10.907 9.603 -6.441 1.00 12.44 H new ATOM 0 HB2 TRP A 402 -8.698 10.018 -5.279 1.00 35.20 H new ATOM 0 HB3 TRP A 402 -8.717 8.370 -4.684 1.00 35.20 H new ATOM 0 HD1 TRP A 402 -8.508 10.276 -8.072 1.00 43.42 H new ATOM 0 HE1 TRP A 402 -7.268 8.827 -9.801 1.00 2.13 H new ATOM 0 HE3 TRP A 402 -7.984 6.016 -5.277 1.00 42.01 H new ATOM 0 HZ2 TRP A 402 -6.233 6.226 -9.940 1.00 45.22 H new ATOM 0 HZ3 TRP A 402 -6.845 4.081 -6.293 1.00 74.03 H new ATOM 0 HH2 TRP A 402 -5.982 4.190 -8.595 1.00 40.14 H new ATOM 344 N SER A 403 -11.268 7.177 -7.100 1.00 14.43 N ATOM 345 CA SER A 403 -11.568 5.785 -7.508 1.00 11.41 C ATOM 346 C SER A 403 -10.734 5.422 -8.757 1.00 1.24 C ATOM 347 O SER A 403 -10.511 6.266 -9.635 1.00 40.34 O ATOM 348 CB SER A 403 -13.081 5.597 -7.785 1.00 13.43 C ATOM 349 OG SER A 403 -13.521 6.360 -8.900 1.00 55.42 O ATOM 0 H SER A 403 -11.215 7.828 -7.883 1.00 14.43 H new ATOM 0 HA SER A 403 -11.299 5.115 -6.691 1.00 11.41 H new ATOM 0 HB2 SER A 403 -13.287 4.542 -7.965 1.00 13.43 H new ATOM 0 HB3 SER A 403 -13.649 5.887 -6.901 1.00 13.43 H new ATOM 0 HG SER A 403 -14.479 6.211 -9.041 1.00 55.42 H new ATOM 355 N GLY A 404 -10.278 4.165 -8.823 1.00 14.22 N ATOM 356 CA GLY A 404 -9.424 3.687 -9.917 1.00 41.13 C ATOM 357 C GLY A 404 -9.033 2.229 -9.722 1.00 73.55 C ATOM 358 O GLY A 404 -9.812 1.462 -9.156 1.00 62.32 O ATOM 0 H GLY A 404 -10.489 3.454 -8.123 1.00 14.22 H new ATOM 0 HA2 GLY A 404 -9.948 3.801 -10.866 1.00 41.13 H new ATOM 0 HA3 GLY A 404 -8.525 4.301 -9.974 1.00 41.13 H new ATOM 362 N VAL A 405 -7.834 1.837 -10.182 1.00 50.54 N ATOM 363 CA VAL A 405 -7.333 0.450 -10.039 1.00 74.10 C ATOM 364 C VAL A 405 -5.954 0.430 -9.332 1.00 12.10 C ATOM 365 O VAL A 405 -5.234 1.436 -9.305 1.00 73.42 O ATOM 366 CB VAL A 405 -7.262 -0.285 -11.443 1.00 33.44 C ATOM 367 CG1 VAL A 405 -6.072 0.169 -12.294 1.00 52.33 C ATOM 368 CG2 VAL A 405 -7.297 -1.830 -11.301 1.00 72.42 C ATOM 0 H VAL A 405 -7.185 2.462 -10.660 1.00 50.54 H new ATOM 0 HA VAL A 405 -8.041 -0.096 -9.415 1.00 74.10 H new ATOM 0 HB VAL A 405 -8.163 0.015 -11.978 1.00 33.44 H new ATOM 0 HG11 VAL A 405 -6.077 -0.369 -13.242 1.00 52.33 H new ATOM 0 HG12 VAL A 405 -6.148 1.240 -12.484 1.00 52.33 H new ATOM 0 HG13 VAL A 405 -5.144 -0.041 -11.763 1.00 52.33 H new ATOM 0 HG21 VAL A 405 -7.246 -2.287 -12.289 1.00 72.42 H new ATOM 0 HG22 VAL A 405 -6.447 -2.160 -10.704 1.00 72.42 H new ATOM 0 HG23 VAL A 405 -8.223 -2.129 -10.810 1.00 72.42 H new ATOM 378 N LEU A 406 -5.616 -0.728 -8.763 1.00 23.54 N ATOM 379 CA LEU A 406 -4.341 -0.989 -8.074 1.00 20.13 C ATOM 380 C LEU A 406 -3.783 -2.333 -8.582 1.00 14.02 C ATOM 381 O LEU A 406 -4.460 -3.353 -8.474 1.00 3.23 O ATOM 382 CB LEU A 406 -4.590 -1.056 -6.546 1.00 4.53 C ATOM 383 CG LEU A 406 -3.334 -1.279 -5.650 1.00 13.43 C ATOM 384 CD1 LEU A 406 -2.433 -0.025 -5.597 1.00 32.01 C ATOM 385 CD2 LEU A 406 -3.741 -1.733 -4.237 1.00 40.53 C ATOM 0 H LEU A 406 -6.237 -1.537 -8.766 1.00 23.54 H new ATOM 0 HA LEU A 406 -3.624 -0.193 -8.277 1.00 20.13 H new ATOM 0 HB2 LEU A 406 -5.070 -0.128 -6.237 1.00 4.53 H new ATOM 0 HB3 LEU A 406 -5.297 -1.862 -6.350 1.00 4.53 H new ATOM 0 HG LEU A 406 -2.746 -2.075 -6.106 1.00 13.43 H new ATOM 0 HD11 LEU A 406 -1.570 -0.224 -4.962 1.00 32.01 H new ATOM 0 HD12 LEU A 406 -2.094 0.222 -6.603 1.00 32.01 H new ATOM 0 HD13 LEU A 406 -2.999 0.812 -5.188 1.00 32.01 H new ATOM 0 HD21 LEU A 406 -2.847 -1.882 -3.631 1.00 40.53 H new ATOM 0 HD22 LEU A 406 -4.369 -0.970 -3.776 1.00 40.53 H new ATOM 0 HD23 LEU A 406 -4.296 -2.669 -4.301 1.00 40.53 H new ATOM 397 N GLU A 407 -2.563 -2.329 -9.135 1.00 51.10 N ATOM 398 CA GLU A 407 -1.916 -3.538 -9.704 1.00 3.21 C ATOM 399 C GLU A 407 -0.651 -3.907 -8.902 1.00 1.13 C ATOM 400 O GLU A 407 0.080 -3.022 -8.459 1.00 2.40 O ATOM 401 CB GLU A 407 -1.533 -3.286 -11.186 1.00 15.40 C ATOM 402 CG GLU A 407 -0.948 -4.515 -11.926 1.00 20.04 C ATOM 403 CD GLU A 407 -0.246 -4.138 -13.242 1.00 33.15 C ATOM 404 OE1 GLU A 407 -0.913 -4.057 -14.296 1.00 61.35 O ATOM 405 OE2 GLU A 407 0.973 -3.888 -13.218 1.00 53.22 O ATOM 0 H GLU A 407 -1.988 -1.489 -9.205 1.00 51.10 H new ATOM 0 HA GLU A 407 -2.624 -4.365 -9.646 1.00 3.21 H new ATOM 0 HB2 GLU A 407 -2.419 -2.945 -11.722 1.00 15.40 H new ATOM 0 HB3 GLU A 407 -0.805 -2.476 -11.225 1.00 15.40 H new ATOM 0 HG2 GLU A 407 -0.238 -5.023 -11.273 1.00 20.04 H new ATOM 0 HG3 GLU A 407 -1.750 -5.223 -12.137 1.00 20.04 H new ATOM 412 N TRP A 408 -0.388 -5.215 -8.760 1.00 34.21 N ATOM 413 CA TRP A 408 0.800 -5.741 -8.055 1.00 1.22 C ATOM 414 C TRP A 408 1.298 -7.057 -8.701 1.00 5.40 C ATOM 415 O TRP A 408 0.668 -7.601 -9.619 1.00 5.32 O ATOM 416 CB TRP A 408 0.481 -5.941 -6.547 1.00 24.25 C ATOM 417 CG TRP A 408 -0.621 -6.938 -6.269 1.00 22.14 C ATOM 418 CD1 TRP A 408 -0.479 -8.275 -6.055 1.00 24.43 C ATOM 419 CD2 TRP A 408 -2.027 -6.669 -6.177 1.00 23.32 C ATOM 420 NE1 TRP A 408 -1.695 -8.853 -5.830 1.00 71.32 N ATOM 421 CE2 TRP A 408 -2.660 -7.891 -5.901 1.00 50.14 C ATOM 422 CE3 TRP A 408 -2.805 -5.516 -6.312 1.00 50.05 C ATOM 423 CZ2 TRP A 408 -4.036 -7.993 -5.749 1.00 50.22 C ATOM 424 CZ3 TRP A 408 -4.169 -5.618 -6.155 1.00 5.51 C ATOM 425 CH2 TRP A 408 -4.767 -6.852 -5.878 1.00 5.22 C ATOM 0 H TRP A 408 -0.995 -5.945 -9.132 1.00 34.21 H new ATOM 0 HA TRP A 408 1.605 -5.012 -8.144 1.00 1.22 H new ATOM 0 HB2 TRP A 408 1.387 -6.268 -6.037 1.00 24.25 H new ATOM 0 HB3 TRP A 408 0.202 -4.979 -6.117 1.00 24.25 H new ATOM 0 HD1 TRP A 408 0.463 -8.804 -6.062 1.00 24.43 H new ATOM 0 HE1 TRP A 408 -1.856 -9.842 -5.640 1.00 71.32 H new ATOM 0 HE3 TRP A 408 -2.346 -4.564 -6.535 1.00 50.05 H new ATOM 0 HZ2 TRP A 408 -4.508 -8.941 -5.537 1.00 50.22 H new ATOM 0 HZ3 TRP A 408 -4.784 -4.735 -6.247 1.00 5.51 H new ATOM 0 HH2 TRP A 408 -5.840 -6.901 -5.763 1.00 5.22 H new ATOM 436 N GLN A 409 2.451 -7.540 -8.210 1.00 4.41 N ATOM 437 CA GLN A 409 3.075 -8.808 -8.649 1.00 13.51 C ATOM 438 C GLN A 409 3.137 -9.809 -7.475 1.00 3.15 C ATOM 439 O GLN A 409 3.685 -9.484 -6.412 1.00 13.44 O ATOM 440 CB GLN A 409 4.509 -8.536 -9.191 1.00 45.42 C ATOM 441 CG GLN A 409 4.584 -7.590 -10.410 1.00 53.23 C ATOM 442 CD GLN A 409 3.936 -8.162 -11.677 1.00 11.11 C ATOM 443 OE1 GLN A 409 2.658 -7.904 -11.876 1.00 5.33 O flip ATOM 444 NE2 GLN A 409 4.581 -8.838 -12.472 1.00 22.14 N flip ATOM 0 H GLN A 409 2.986 -7.058 -7.488 1.00 4.41 H new ATOM 0 HA GLN A 409 2.469 -9.239 -9.446 1.00 13.51 H new ATOM 0 HB2 GLN A 409 5.110 -8.113 -8.386 1.00 45.42 H new ATOM 0 HB3 GLN A 409 4.964 -9.489 -9.462 1.00 45.42 H new ATOM 0 HG2 GLN A 409 4.097 -6.648 -10.158 1.00 53.23 H new ATOM 0 HG3 GLN A 409 5.630 -7.363 -10.618 1.00 53.23 H new ATOM 0 HE21 GLN A 409 5.569 -9.025 -12.299 1.00 22.14 H new ATOM 0 HE22 GLN A 409 4.130 -9.213 -13.306 1.00 22.14 H new ATOM 453 N GLU A 410 2.565 -11.008 -7.673 1.00 40.44 N ATOM 454 CA GLU A 410 2.635 -12.115 -6.689 1.00 54.00 C ATOM 455 C GLU A 410 3.964 -12.906 -6.850 1.00 5.24 C ATOM 456 O GLU A 410 4.860 -12.506 -7.601 1.00 42.21 O ATOM 457 CB GLU A 410 1.417 -13.094 -6.831 1.00 44.04 C ATOM 458 CG GLU A 410 0.012 -12.450 -6.756 1.00 65.14 C ATOM 459 CD GLU A 410 -0.440 -11.824 -8.087 1.00 75.30 C ATOM 460 OE1 GLU A 410 -0.927 -12.574 -8.967 1.00 21.11 O ATOM 461 OE2 GLU A 410 -0.286 -10.598 -8.268 1.00 21.21 O ATOM 0 H GLU A 410 2.041 -11.243 -8.516 1.00 40.44 H new ATOM 0 HA GLU A 410 2.599 -11.668 -5.696 1.00 54.00 H new ATOM 0 HB2 GLU A 410 1.505 -13.615 -7.785 1.00 44.04 H new ATOM 0 HB3 GLU A 410 1.491 -13.849 -6.048 1.00 44.04 H new ATOM 0 HG2 GLU A 410 -0.712 -13.207 -6.454 1.00 65.14 H new ATOM 0 HG3 GLU A 410 0.012 -11.682 -5.982 1.00 65.14 H new ATOM 649 N LEU A 423 1.592 -14.135 -12.098 1.00 1.13 N ATOM 650 CA LEU A 423 2.002 -13.414 -10.876 1.00 75.31 C ATOM 651 C LEU A 423 1.756 -11.894 -11.091 1.00 72.10 C ATOM 652 O LEU A 423 2.660 -11.061 -10.992 1.00 32.02 O ATOM 653 CB LEU A 423 3.466 -13.739 -10.438 1.00 51.24 C ATOM 654 CG LEU A 423 4.619 -13.563 -11.480 1.00 33.25 C ATOM 655 CD1 LEU A 423 5.978 -13.482 -10.762 1.00 24.54 C ATOM 656 CD2 LEU A 423 4.628 -14.705 -12.515 1.00 32.41 C ATOM 0 HA LEU A 423 1.391 -13.757 -10.041 1.00 75.31 H new ATOM 0 HB2 LEU A 423 3.700 -13.113 -9.577 1.00 51.24 H new ATOM 0 HB3 LEU A 423 3.486 -14.773 -10.094 1.00 51.24 H new ATOM 0 HG LEU A 423 4.443 -12.631 -12.017 1.00 33.25 H new ATOM 0 HD11 LEU A 423 6.772 -13.360 -11.499 1.00 24.54 H new ATOM 0 HD12 LEU A 423 5.980 -12.630 -10.082 1.00 24.54 H new ATOM 0 HD13 LEU A 423 6.146 -14.399 -10.197 1.00 24.54 H new ATOM 0 HD21 LEU A 423 5.442 -14.549 -13.222 1.00 32.41 H new ATOM 0 HD22 LEU A 423 4.769 -15.658 -12.004 1.00 32.41 H new ATOM 0 HD23 LEU A 423 3.679 -14.717 -13.051 1.00 32.41 H new ATOM 668 N THR A 424 0.481 -11.574 -11.405 1.00 42.23 N ATOM 669 CA THR A 424 0.000 -10.210 -11.752 1.00 24.30 C ATOM 670 C THR A 424 -1.527 -10.115 -11.506 1.00 34.44 C ATOM 671 O THR A 424 -2.310 -10.615 -12.320 1.00 62.10 O ATOM 672 CB THR A 424 0.268 -9.844 -13.268 1.00 14.25 C ATOM 673 OG1 THR A 424 1.661 -9.988 -13.604 1.00 5.12 O ATOM 674 CG2 THR A 424 -0.192 -8.404 -13.616 1.00 24.03 C ATOM 0 H THR A 424 -0.263 -12.271 -11.426 1.00 42.23 H new ATOM 0 HA THR A 424 0.550 -9.513 -11.120 1.00 24.30 H new ATOM 0 HB THR A 424 -0.322 -10.546 -13.857 1.00 14.25 H new ATOM 0 HG1 THR A 424 2.181 -9.295 -13.146 1.00 5.12 H new ATOM 0 HG21 THR A 424 0.013 -8.201 -14.667 1.00 24.03 H new ATOM 0 HG22 THR A 424 -1.262 -8.309 -13.430 1.00 24.03 H new ATOM 0 HG23 THR A 424 0.349 -7.689 -12.996 1.00 24.03 H new ATOM 682 N ARG A 425 -1.944 -9.513 -10.377 1.00 22.23 N ATOM 683 CA ARG A 425 -3.378 -9.212 -10.093 1.00 24.50 C ATOM 684 C ARG A 425 -3.634 -7.691 -10.013 1.00 63.12 C ATOM 685 O ARG A 425 -2.725 -6.895 -9.759 1.00 45.30 O ATOM 686 CB ARG A 425 -3.867 -9.898 -8.781 1.00 33.25 C ATOM 687 CG ARG A 425 -4.039 -11.442 -8.828 1.00 65.15 C ATOM 688 CD ARG A 425 -5.071 -11.928 -9.879 1.00 55.03 C ATOM 689 NE ARG A 425 -4.514 -11.981 -11.240 1.00 10.23 N ATOM 690 CZ ARG A 425 -5.198 -12.011 -12.371 1.00 62.54 C ATOM 691 NH1 ARG A 425 -6.494 -11.943 -12.388 1.00 33.41 N ATOM 692 NH2 ARG A 425 -4.562 -12.084 -13.491 1.00 72.34 N ATOM 0 H ARG A 425 -1.309 -9.219 -9.635 1.00 22.23 H new ATOM 0 HA ARG A 425 -3.949 -9.619 -10.927 1.00 24.50 H new ATOM 0 HB2 ARG A 425 -3.161 -9.658 -7.987 1.00 33.25 H new ATOM 0 HB3 ARG A 425 -4.824 -9.457 -8.501 1.00 33.25 H new ATOM 0 HG2 ARG A 425 -3.073 -11.899 -9.043 1.00 65.15 H new ATOM 0 HG3 ARG A 425 -4.345 -11.794 -7.843 1.00 65.15 H new ATOM 0 HD2 ARG A 425 -5.430 -12.918 -9.599 1.00 55.03 H new ATOM 0 HD3 ARG A 425 -5.934 -11.262 -9.870 1.00 55.03 H new ATOM 0 HE ARG A 425 -3.497 -11.996 -11.319 1.00 10.23 H new ATOM 0 HH11 ARG A 425 -7.012 -11.864 -11.513 1.00 33.41 H new ATOM 0 HH12 ARG A 425 -6.994 -11.969 -13.276 1.00 33.41 H new ATOM 0 HH21 ARG A 425 -3.543 -12.118 -13.497 1.00 72.34 H new ATOM 0 HH22 ARG A 425 -5.079 -12.108 -14.370 1.00 72.34 H new ATOM 706 N SER A 426 -4.904 -7.316 -10.231 1.00 31.43 N ATOM 707 CA SER A 426 -5.380 -5.918 -10.165 1.00 32.12 C ATOM 708 C SER A 426 -6.798 -5.856 -9.549 1.00 73.13 C ATOM 709 O SER A 426 -7.616 -6.765 -9.742 1.00 40.22 O ATOM 710 CB SER A 426 -5.369 -5.273 -11.570 1.00 11.24 C ATOM 711 OG SER A 426 -6.175 -5.998 -12.495 1.00 31.42 O ATOM 0 H SER A 426 -5.642 -7.981 -10.461 1.00 31.43 H new ATOM 0 HA SER A 426 -4.702 -5.354 -9.524 1.00 32.12 H new ATOM 0 HB2 SER A 426 -5.730 -4.247 -11.501 1.00 11.24 H new ATOM 0 HB3 SER A 426 -4.345 -5.227 -11.940 1.00 11.24 H new ATOM 0 HG SER A 426 -6.144 -5.559 -13.370 1.00 31.42 H new ATOM 717 N LEU A 427 -7.072 -4.781 -8.796 1.00 54.15 N ATOM 718 CA LEU A 427 -8.363 -4.569 -8.099 1.00 44.11 C ATOM 719 C LEU A 427 -8.821 -3.099 -8.201 1.00 61.33 C ATOM 720 O LEU A 427 -7.996 -2.195 -8.037 1.00 50.33 O ATOM 721 CB LEU A 427 -8.234 -4.966 -6.602 1.00 22.50 C ATOM 722 CG LEU A 427 -8.479 -6.461 -6.258 1.00 22.53 C ATOM 723 CD1 LEU A 427 -8.101 -6.757 -4.799 1.00 61.14 C ATOM 724 CD2 LEU A 427 -9.949 -6.846 -6.531 1.00 41.24 C ATOM 0 H LEU A 427 -6.404 -4.025 -8.648 1.00 54.15 H new ATOM 0 HA LEU A 427 -9.109 -5.198 -8.584 1.00 44.11 H new ATOM 0 HB2 LEU A 427 -7.234 -4.697 -6.263 1.00 22.50 H new ATOM 0 HB3 LEU A 427 -8.938 -4.364 -6.027 1.00 22.50 H new ATOM 0 HG LEU A 427 -7.840 -7.067 -6.901 1.00 22.53 H new ATOM 0 HD11 LEU A 427 -8.282 -7.810 -4.583 1.00 61.14 H new ATOM 0 HD12 LEU A 427 -7.046 -6.530 -4.643 1.00 61.14 H new ATOM 0 HD13 LEU A 427 -8.707 -6.141 -4.134 1.00 61.14 H new ATOM 0 HD21 LEU A 427 -10.102 -7.897 -6.284 1.00 41.24 H new ATOM 0 HD22 LEU A 427 -10.606 -6.230 -5.918 1.00 41.24 H new ATOM 0 HD23 LEU A 427 -10.178 -6.684 -7.584 1.00 41.24 H new ATOM 736 N PRO A 428 -10.144 -2.832 -8.453 1.00 21.22 N ATOM 737 CA PRO A 428 -10.702 -1.463 -8.373 1.00 43.11 C ATOM 738 C PRO A 428 -10.651 -0.917 -6.917 1.00 62.05 C ATOM 739 O PRO A 428 -11.424 -1.340 -6.052 1.00 15.14 O ATOM 740 CB PRO A 428 -12.157 -1.623 -8.901 1.00 2.02 C ATOM 741 CG PRO A 428 -12.488 -3.070 -8.660 1.00 51.53 C ATOM 742 CD PRO A 428 -11.187 -3.824 -8.848 1.00 53.33 C ATOM 0 HA PRO A 428 -10.137 -0.736 -8.956 1.00 43.11 H new ATOM 0 HB2 PRO A 428 -12.846 -0.965 -8.372 1.00 2.02 H new ATOM 0 HB3 PRO A 428 -12.225 -1.371 -9.959 1.00 2.02 H new ATOM 0 HG2 PRO A 428 -12.885 -3.219 -7.656 1.00 51.53 H new ATOM 0 HG3 PRO A 428 -13.248 -3.420 -9.359 1.00 51.53 H new ATOM 0 HD2 PRO A 428 -11.148 -4.717 -8.224 1.00 53.33 H new ATOM 0 HD3 PRO A 428 -11.059 -4.151 -9.880 1.00 53.33 H new ATOM 750 N CYS A 429 -9.705 0.001 -6.652 1.00 32.11 N ATOM 751 CA CYS A 429 -9.484 0.569 -5.304 1.00 31.21 C ATOM 752 C CYS A 429 -10.034 2.003 -5.234 1.00 64.14 C ATOM 753 O CYS A 429 -9.881 2.789 -6.178 1.00 10.30 O ATOM 754 CB CYS A 429 -7.973 0.573 -4.976 1.00 2.31 C ATOM 755 SG CYS A 429 -6.973 1.601 -6.077 1.00 21.24 S ATOM 0 H CYS A 429 -9.072 0.371 -7.361 1.00 32.11 H new ATOM 0 HA CYS A 429 -10.009 -0.047 -4.574 1.00 31.21 H new ATOM 0 HB2 CYS A 429 -7.837 0.920 -3.952 1.00 2.31 H new ATOM 0 HB3 CYS A 429 -7.602 -0.451 -5.018 1.00 2.31 H new ATOM 0 HG CYS A 429 -7.713 2.543 -6.583 1.00 21.24 H new ATOM 761 N GLN A 430 -10.670 2.336 -4.102 1.00 64.15 N ATOM 762 CA GLN A 430 -11.271 3.663 -3.869 1.00 41.20 C ATOM 763 C GLN A 430 -10.700 4.278 -2.575 1.00 4.42 C ATOM 764 O GLN A 430 -10.809 3.689 -1.502 1.00 1.25 O ATOM 765 CB GLN A 430 -12.817 3.533 -3.765 1.00 74.23 C ATOM 766 CG GLN A 430 -13.509 2.937 -5.011 1.00 74.23 C ATOM 767 CD GLN A 430 -15.044 2.954 -4.944 1.00 54.13 C ATOM 768 OE1 GLN A 430 -15.642 2.899 -3.870 1.00 61.02 O ATOM 769 NE2 GLN A 430 -15.692 2.999 -6.098 1.00 44.14 N ATOM 0 H GLN A 430 -10.784 1.693 -3.318 1.00 64.15 H new ATOM 0 HA GLN A 430 -11.028 4.317 -4.706 1.00 41.20 H new ATOM 0 HB2 GLN A 430 -13.057 2.911 -2.903 1.00 74.23 H new ATOM 0 HB3 GLN A 430 -13.237 4.520 -3.572 1.00 74.23 H new ATOM 0 HG2 GLN A 430 -13.188 3.493 -5.892 1.00 74.23 H new ATOM 0 HG3 GLN A 430 -13.173 1.908 -5.143 1.00 74.23 H new ATOM 0 HE21 GLN A 430 -15.171 3.044 -6.974 1.00 44.14 H new ATOM 0 HE22 GLN A 430 -16.712 2.988 -6.111 1.00 44.14 H new ATOM 778 N VAL A 431 -10.109 5.475 -2.685 1.00 30.11 N ATOM 779 CA VAL A 431 -9.548 6.195 -1.530 1.00 13.44 C ATOM 780 C VAL A 431 -10.635 7.065 -0.862 1.00 43.12 C ATOM 781 O VAL A 431 -11.102 8.062 -1.428 1.00 22.43 O ATOM 782 CB VAL A 431 -8.316 7.072 -1.962 1.00 22.51 C ATOM 783 CG1 VAL A 431 -7.733 7.892 -0.774 1.00 1.00 C ATOM 784 CG2 VAL A 431 -7.232 6.177 -2.605 1.00 11.30 C ATOM 0 H VAL A 431 -10.006 5.971 -3.571 1.00 30.11 H new ATOM 0 HA VAL A 431 -9.198 5.462 -0.803 1.00 13.44 H new ATOM 0 HB VAL A 431 -8.663 7.796 -2.700 1.00 22.51 H new ATOM 0 HG11 VAL A 431 -6.884 8.482 -1.121 1.00 1.00 H new ATOM 0 HG12 VAL A 431 -8.501 8.558 -0.380 1.00 1.00 H new ATOM 0 HG13 VAL A 431 -7.405 7.211 0.012 1.00 1.00 H new ATOM 0 HG21 VAL A 431 -6.382 6.791 -2.902 1.00 11.30 H new ATOM 0 HG22 VAL A 431 -6.904 5.428 -1.884 1.00 11.30 H new ATOM 0 HG23 VAL A 431 -7.644 5.680 -3.483 1.00 11.30 H new ATOM 794 N TYR A 432 -11.050 6.632 0.332 1.00 14.30 N ATOM 795 CA TYR A 432 -11.993 7.361 1.195 1.00 13.05 C ATOM 796 C TYR A 432 -11.232 8.172 2.265 1.00 62.43 C ATOM 797 O TYR A 432 -10.397 7.630 3.004 1.00 20.00 O ATOM 798 CB TYR A 432 -12.993 6.368 1.853 1.00 53.31 C ATOM 799 CG TYR A 432 -14.129 5.908 0.919 1.00 71.50 C ATOM 800 CD1 TYR A 432 -13.887 5.068 -0.165 1.00 64.31 C ATOM 801 CD2 TYR A 432 -15.445 6.335 1.122 1.00 63.13 C ATOM 802 CE1 TYR A 432 -14.912 4.669 -1.004 1.00 31.45 C ATOM 803 CE2 TYR A 432 -16.470 5.941 0.284 1.00 60.51 C ATOM 804 CZ TYR A 432 -16.199 5.110 -0.776 1.00 11.50 C ATOM 805 OH TYR A 432 -17.218 4.723 -1.621 1.00 71.31 O ATOM 0 H TYR A 432 -10.736 5.750 0.736 1.00 14.30 H new ATOM 0 HA TYR A 432 -12.560 8.063 0.583 1.00 13.05 H new ATOM 0 HB2 TYR A 432 -12.444 5.492 2.199 1.00 53.31 H new ATOM 0 HB3 TYR A 432 -13.429 6.839 2.734 1.00 53.31 H new ATOM 0 HD1 TYR A 432 -12.882 4.722 -0.354 1.00 64.31 H new ATOM 0 HD2 TYR A 432 -15.665 6.988 1.953 1.00 63.13 H new ATOM 0 HE1 TYR A 432 -14.705 4.013 -1.837 1.00 31.45 H new ATOM 0 HE2 TYR A 432 -17.479 6.284 0.461 1.00 60.51 H new ATOM 0 HH TYR A 432 -16.855 4.155 -2.333 1.00 71.31 H new ATOM 815 N VAL A 433 -11.535 9.478 2.332 1.00 51.11 N ATOM 816 CA VAL A 433 -10.911 10.429 3.281 1.00 13.33 C ATOM 817 C VAL A 433 -11.978 11.157 4.126 1.00 51.24 C ATOM 818 O VAL A 433 -13.179 11.032 3.882 1.00 64.20 O ATOM 819 CB VAL A 433 -10.051 11.506 2.527 1.00 34.31 C ATOM 820 CG1 VAL A 433 -8.829 10.882 1.824 1.00 4.33 C ATOM 821 CG2 VAL A 433 -10.929 12.314 1.539 1.00 43.14 C ATOM 0 H VAL A 433 -12.228 9.914 1.724 1.00 51.11 H new ATOM 0 HA VAL A 433 -10.266 9.841 3.935 1.00 13.33 H new ATOM 0 HB VAL A 433 -9.660 12.198 3.273 1.00 34.31 H new ATOM 0 HG11 VAL A 433 -8.264 11.663 1.316 1.00 4.33 H new ATOM 0 HG12 VAL A 433 -8.193 10.396 2.564 1.00 4.33 H new ATOM 0 HG13 VAL A 433 -9.166 10.145 1.095 1.00 4.33 H new ATOM 0 HG21 VAL A 433 -10.314 13.054 1.027 1.00 43.14 H new ATOM 0 HG22 VAL A 433 -11.368 11.638 0.806 1.00 43.14 H new ATOM 0 HG23 VAL A 433 -11.724 12.819 2.088 1.00 43.14 H new ATOM 831 N ASN A 434 -11.509 11.966 5.089 1.00 55.22 N ATOM 832 CA ASN A 434 -12.387 12.738 5.996 1.00 32.25 C ATOM 833 C ASN A 434 -13.179 13.848 5.245 1.00 22.14 C ATOM 834 O ASN A 434 -12.866 14.188 4.104 1.00 1.31 O ATOM 835 CB ASN A 434 -11.533 13.351 7.134 1.00 74.45 C ATOM 836 CG ASN A 434 -10.869 12.293 8.023 1.00 42.44 C ATOM 837 OD1 ASN A 434 -11.420 11.216 8.260 1.00 23.43 O ATOM 838 ND2 ASN A 434 -9.683 12.584 8.520 1.00 0.43 N ATOM 0 H ASN A 434 -10.514 12.106 5.264 1.00 55.22 H new ATOM 0 HA ASN A 434 -13.126 12.056 6.415 1.00 32.25 H new ATOM 0 HB2 ASN A 434 -10.762 13.988 6.699 1.00 74.45 H new ATOM 0 HB3 ASN A 434 -12.165 13.991 7.750 1.00 74.45 H new ATOM 0 HD21 ASN A 434 -9.200 11.911 9.115 1.00 0.43 H new ATOM 0 HD22 ASN A 434 -9.248 13.482 8.309 1.00 0.43 H new ATOM 884 N ASN A 438 -7.644 17.881 2.960 1.00 44.10 N ATOM 885 CA ASN A 438 -6.759 18.700 2.069 1.00 25.24 C ATOM 886 C ASN A 438 -6.398 17.907 0.777 1.00 40.33 C ATOM 887 O ASN A 438 -5.976 18.489 -0.233 1.00 51.12 O ATOM 888 CB ASN A 438 -5.441 19.156 2.780 1.00 2.42 C ATOM 889 CG ASN A 438 -4.586 17.989 3.292 1.00 12.52 C ATOM 890 OD1 ASN A 438 -4.784 17.600 4.537 1.00 42.52 O flip ATOM 891 ND2 ASN A 438 -3.744 17.449 2.579 1.00 13.02 N flip ATOM 0 HA ASN A 438 -7.325 19.595 1.812 1.00 25.24 H new ATOM 0 HB2 ASN A 438 -4.850 19.751 2.084 1.00 2.42 H new ATOM 0 HB3 ASN A 438 -5.695 19.805 3.618 1.00 2.42 H new ATOM 0 HD21 ASN A 438 -3.609 17.767 1.619 1.00 13.02 H new ATOM 0 HD22 ASN A 438 -3.180 16.683 2.947 1.00 13.02 H new ATOM 898 N LEU A 439 -6.556 16.570 0.847 1.00 40.40 N ATOM 899 CA LEU A 439 -6.192 15.629 -0.224 1.00 62.43 C ATOM 900 C LEU A 439 -7.214 15.710 -1.399 1.00 3.51 C ATOM 901 O LEU A 439 -8.157 14.919 -1.498 1.00 54.30 O ATOM 902 CB LEU A 439 -6.109 14.194 0.384 1.00 52.22 C ATOM 903 CG LEU A 439 -5.519 13.082 -0.527 1.00 71.31 C ATOM 904 CD1 LEU A 439 -4.063 13.407 -0.929 1.00 2.32 C ATOM 905 CD2 LEU A 439 -5.624 11.697 0.157 1.00 52.22 C ATOM 0 H LEU A 439 -6.948 16.108 1.667 1.00 40.40 H new ATOM 0 HA LEU A 439 -5.219 15.890 -0.641 1.00 62.43 H new ATOM 0 HB2 LEU A 439 -5.508 14.244 1.292 1.00 52.22 H new ATOM 0 HB3 LEU A 439 -7.113 13.892 0.682 1.00 52.22 H new ATOM 0 HG LEU A 439 -6.109 13.045 -1.443 1.00 71.31 H new ATOM 0 HD11 LEU A 439 -3.675 12.612 -1.566 1.00 2.32 H new ATOM 0 HD12 LEU A 439 -4.038 14.352 -1.472 1.00 2.32 H new ATOM 0 HD13 LEU A 439 -3.447 13.487 -0.033 1.00 2.32 H new ATOM 0 HD21 LEU A 439 -5.205 10.934 -0.499 1.00 52.22 H new ATOM 0 HD22 LEU A 439 -5.070 11.712 1.096 1.00 52.22 H new ATOM 0 HD23 LEU A 439 -6.671 11.468 0.357 1.00 52.22 H new ATOM 917 N LYS A 440 -7.008 16.721 -2.263 1.00 35.33 N ATOM 918 CA LYS A 440 -7.919 17.075 -3.385 1.00 74.31 C ATOM 919 C LYS A 440 -7.924 16.038 -4.543 1.00 72.54 C ATOM 920 O LYS A 440 -8.803 16.084 -5.407 1.00 73.12 O ATOM 921 CB LYS A 440 -7.519 18.479 -3.913 1.00 34.34 C ATOM 922 CG LYS A 440 -6.041 18.590 -4.372 1.00 33.11 C ATOM 923 CD LYS A 440 -5.607 20.039 -4.697 1.00 13.44 C ATOM 924 CE LYS A 440 -6.386 20.658 -5.872 1.00 3.10 C ATOM 925 NZ LYS A 440 -5.940 22.041 -6.179 1.00 3.41 N ATOM 0 H LYS A 440 -6.192 17.330 -2.206 1.00 35.33 H new ATOM 0 HA LYS A 440 -8.937 17.076 -2.996 1.00 74.31 H new ATOM 0 HB2 LYS A 440 -8.168 18.738 -4.750 1.00 34.34 H new ATOM 0 HB3 LYS A 440 -7.700 19.215 -3.129 1.00 34.34 H new ATOM 0 HG2 LYS A 440 -5.394 18.191 -3.590 1.00 33.11 H new ATOM 0 HG3 LYS A 440 -5.895 17.968 -5.255 1.00 33.11 H new ATOM 0 HD2 LYS A 440 -5.745 20.660 -3.812 1.00 13.44 H new ATOM 0 HD3 LYS A 440 -4.542 20.049 -4.931 1.00 13.44 H new ATOM 0 HE2 LYS A 440 -6.261 20.034 -6.757 1.00 3.10 H new ATOM 0 HE3 LYS A 440 -7.450 20.666 -5.635 1.00 3.10 H new ATOM 0 HZ1 LYS A 440 -6.493 22.415 -6.976 1.00 3.41 H new ATOM 0 HZ2 LYS A 440 -6.083 22.645 -5.345 1.00 3.41 H new ATOM 0 HZ3 LYS A 440 -4.931 22.032 -6.431 1.00 3.41 H new ATOM 939 N THR A 441 -6.917 15.144 -4.552 1.00 33.00 N ATOM 940 CA THR A 441 -6.764 14.028 -5.533 1.00 0.54 C ATOM 941 C THR A 441 -6.786 14.462 -7.034 1.00 14.13 C ATOM 942 O THR A 441 -7.058 13.648 -7.928 1.00 23.32 O ATOM 943 CB THR A 441 -7.779 12.845 -5.290 1.00 73.23 C ATOM 944 OG1 THR A 441 -9.134 13.269 -5.508 1.00 45.50 O ATOM 945 CG2 THR A 441 -7.641 12.270 -3.872 1.00 74.11 C ATOM 0 H THR A 441 -6.164 15.170 -3.865 1.00 33.00 H new ATOM 0 HA THR A 441 -5.756 13.663 -5.334 1.00 0.54 H new ATOM 0 HB THR A 441 -7.534 12.063 -6.009 1.00 73.23 H new ATOM 0 HG1 THR A 441 -9.156 14.240 -5.641 1.00 45.50 H new ATOM 0 HG21 THR A 441 -8.355 11.457 -3.738 1.00 74.11 H new ATOM 0 HG22 THR A 441 -6.629 11.891 -3.730 1.00 74.11 H new ATOM 0 HG23 THR A 441 -7.842 13.053 -3.141 1.00 74.11 H new ATOM 953 N GLU A 442 -6.416 15.728 -7.297 1.00 34.41 N ATOM 954 CA GLU A 442 -6.407 16.311 -8.666 1.00 63.34 C ATOM 955 C GLU A 442 -5.229 15.761 -9.528 1.00 70.44 C ATOM 956 O GLU A 442 -5.324 15.673 -10.756 1.00 53.42 O ATOM 957 CB GLU A 442 -6.338 17.859 -8.552 1.00 72.12 C ATOM 958 CG GLU A 442 -6.450 18.637 -9.878 1.00 15.22 C ATOM 959 CD GLU A 442 -7.770 18.362 -10.622 1.00 73.33 C ATOM 960 OE1 GLU A 442 -8.835 18.783 -10.124 1.00 61.50 O ATOM 961 OE2 GLU A 442 -7.753 17.717 -11.693 1.00 64.31 O ATOM 0 H GLU A 442 -6.114 16.381 -6.574 1.00 34.41 H new ATOM 0 HA GLU A 442 -7.325 16.020 -9.176 1.00 63.34 H new ATOM 0 HB2 GLU A 442 -7.137 18.191 -7.890 1.00 72.12 H new ATOM 0 HB3 GLU A 442 -5.396 18.127 -8.074 1.00 72.12 H new ATOM 0 HG2 GLU A 442 -6.368 19.705 -9.675 1.00 15.22 H new ATOM 0 HG3 GLU A 442 -5.613 18.370 -10.523 1.00 15.22 H new ATOM 968 N GLN A 443 -4.127 15.376 -8.862 1.00 3.30 N ATOM 969 CA GLN A 443 -2.900 14.852 -9.528 1.00 63.04 C ATOM 970 C GLN A 443 -2.889 13.304 -9.648 1.00 65.45 C ATOM 971 O GLN A 443 -1.955 12.735 -10.228 1.00 63.25 O ATOM 972 CB GLN A 443 -1.652 15.322 -8.740 1.00 31.22 C ATOM 973 CG GLN A 443 -1.423 16.843 -8.766 1.00 74.44 C ATOM 974 CD GLN A 443 -0.307 17.297 -7.822 1.00 44.40 C ATOM 975 OE1 GLN A 443 0.856 17.378 -8.200 1.00 73.31 O ATOM 976 NE2 GLN A 443 -0.658 17.595 -6.586 1.00 62.05 N ATOM 0 H GLN A 443 -4.052 15.415 -7.846 1.00 3.30 H new ATOM 0 HA GLN A 443 -2.888 15.248 -10.544 1.00 63.04 H new ATOM 0 HB2 GLN A 443 -1.748 14.998 -7.704 1.00 31.22 H new ATOM 0 HB3 GLN A 443 -0.771 14.827 -9.148 1.00 31.22 H new ATOM 0 HG2 GLN A 443 -1.179 17.151 -9.783 1.00 74.44 H new ATOM 0 HG3 GLN A 443 -2.349 17.349 -8.494 1.00 74.44 H new ATOM 0 HE21 GLN A 443 -1.634 17.518 -6.300 1.00 62.05 H new ATOM 0 HE22 GLN A 443 0.047 17.903 -5.916 1.00 62.05 H new ATOM 985 N TRP A 444 -3.916 12.632 -9.100 1.00 63.32 N ATOM 986 CA TRP A 444 -3.974 11.145 -9.061 1.00 55.23 C ATOM 987 C TRP A 444 -4.446 10.561 -10.427 1.00 42.22 C ATOM 988 O TRP A 444 -5.424 11.062 -11.001 1.00 21.32 O ATOM 989 CB TRP A 444 -4.911 10.666 -7.922 1.00 74.20 C ATOM 990 CG TRP A 444 -4.456 11.008 -6.517 1.00 5.44 C ATOM 991 CD1 TRP A 444 -3.962 12.204 -6.071 1.00 61.41 C ATOM 992 CD2 TRP A 444 -4.466 10.138 -5.373 1.00 33.30 C ATOM 993 NE1 TRP A 444 -3.728 12.147 -4.727 1.00 43.31 N ATOM 994 CE2 TRP A 444 -4.007 10.887 -4.280 1.00 51.12 C ATOM 995 CE3 TRP A 444 -4.823 8.804 -5.167 1.00 51.34 C ATOM 996 CZ2 TRP A 444 -3.896 10.356 -3.002 1.00 41.13 C ATOM 997 CZ3 TRP A 444 -4.702 8.275 -3.897 1.00 21.12 C ATOM 998 CH2 TRP A 444 -4.244 9.054 -2.827 1.00 2.43 C ATOM 0 H TRP A 444 -4.723 13.089 -8.675 1.00 63.32 H new ATOM 0 HA TRP A 444 -2.966 10.779 -8.866 1.00 55.23 H new ATOM 0 HB2 TRP A 444 -5.899 11.099 -8.081 1.00 74.20 H new ATOM 0 HB3 TRP A 444 -5.021 9.584 -7.996 1.00 74.20 H new ATOM 0 HD1 TRP A 444 -3.783 13.069 -6.693 1.00 61.41 H new ATOM 0 HE1 TRP A 444 -3.398 12.921 -4.150 1.00 43.31 H new ATOM 0 HE3 TRP A 444 -5.186 8.198 -5.984 1.00 51.34 H new ATOM 0 HZ2 TRP A 444 -3.545 10.957 -2.176 1.00 41.13 H new ATOM 0 HZ3 TRP A 444 -4.965 7.242 -3.726 1.00 21.12 H new ATOM 0 HH2 TRP A 444 -4.166 8.612 -1.845 1.00 2.43 H new ATOM 1009 N PRO A 445 -3.760 9.491 -10.964 1.00 11.34 N ATOM 1010 CA PRO A 445 -4.106 8.856 -12.277 1.00 14.20 C ATOM 1011 C PRO A 445 -5.410 8.004 -12.224 1.00 2.32 C ATOM 1012 O PRO A 445 -6.286 8.248 -11.400 1.00 10.12 O ATOM 1013 CB PRO A 445 -2.848 7.966 -12.582 1.00 24.23 C ATOM 1014 CG PRO A 445 -1.811 8.369 -11.571 1.00 44.41 C ATOM 1015 CD PRO A 445 -2.585 8.819 -10.358 1.00 2.24 C ATOM 0 HA PRO A 445 -4.316 9.598 -13.047 1.00 14.20 H new ATOM 0 HB2 PRO A 445 -3.088 6.906 -12.496 1.00 24.23 H new ATOM 0 HB3 PRO A 445 -2.489 8.130 -13.598 1.00 24.23 H new ATOM 0 HG2 PRO A 445 -1.153 7.534 -11.329 1.00 44.41 H new ATOM 0 HG3 PRO A 445 -1.180 9.171 -11.954 1.00 44.41 H new ATOM 0 HD2 PRO A 445 -2.877 7.979 -9.728 1.00 2.24 H new ATOM 0 HD3 PRO A 445 -2.005 9.499 -9.734 1.00 2.24 H new ATOM 1023 N GLN A 446 -5.556 7.033 -13.154 1.00 53.32 N ATOM 1024 CA GLN A 446 -6.645 6.016 -13.096 1.00 75.42 C ATOM 1025 C GLN A 446 -6.098 4.643 -12.636 1.00 75.33 C ATOM 1026 O GLN A 446 -6.855 3.779 -12.189 1.00 53.30 O ATOM 1027 CB GLN A 446 -7.342 5.870 -14.480 1.00 30.51 C ATOM 1028 CG GLN A 446 -6.427 5.374 -15.625 1.00 60.33 C ATOM 1029 CD GLN A 446 -7.181 5.095 -16.928 1.00 0.04 C ATOM 1030 OE1 GLN A 446 -7.343 5.974 -17.771 1.00 30.15 O ATOM 1031 NE2 GLN A 446 -7.636 3.869 -17.102 1.00 64.44 N ATOM 0 H GLN A 446 -4.935 6.928 -13.957 1.00 53.32 H new ATOM 0 HA GLN A 446 -7.379 6.361 -12.368 1.00 75.42 H new ATOM 0 HB2 GLN A 446 -8.178 5.178 -14.378 1.00 30.51 H new ATOM 0 HB3 GLN A 446 -7.761 6.836 -14.763 1.00 30.51 H new ATOM 0 HG2 GLN A 446 -5.656 6.121 -15.813 1.00 60.33 H new ATOM 0 HG3 GLN A 446 -5.919 4.464 -15.306 1.00 60.33 H new ATOM 0 HE21 GLN A 446 -7.485 3.162 -16.383 1.00 64.44 H new ATOM 0 HE22 GLN A 446 -8.139 3.628 -17.956 1.00 64.44 H new ATOM 1040 N LYS A 447 -4.770 4.460 -12.758 1.00 23.00 N ATOM 1041 CA LYS A 447 -4.081 3.187 -12.457 1.00 70.11 C ATOM 1042 C LYS A 447 -2.899 3.437 -11.498 1.00 1.12 C ATOM 1043 O LYS A 447 -2.090 4.348 -11.719 1.00 43.54 O ATOM 1044 CB LYS A 447 -3.628 2.524 -13.808 1.00 54.32 C ATOM 1045 CG LYS A 447 -2.983 1.104 -13.726 1.00 42.44 C ATOM 1046 CD LYS A 447 -1.466 1.114 -13.401 1.00 41.23 C ATOM 1047 CE LYS A 447 -0.853 -0.298 -13.332 1.00 4.42 C ATOM 1048 NZ LYS A 447 -0.887 -0.996 -14.647 1.00 52.01 N ATOM 0 H LYS A 447 -4.138 5.197 -13.071 1.00 23.00 H new ATOM 0 HA LYS A 447 -4.756 2.497 -11.951 1.00 70.11 H new ATOM 0 HB2 LYS A 447 -4.498 2.463 -14.462 1.00 54.32 H new ATOM 0 HB3 LYS A 447 -2.914 3.192 -14.289 1.00 54.32 H new ATOM 0 HG2 LYS A 447 -3.503 0.524 -12.963 1.00 42.44 H new ATOM 0 HG3 LYS A 447 -3.137 0.592 -14.676 1.00 42.44 H new ATOM 0 HD2 LYS A 447 -0.942 1.694 -14.160 1.00 41.23 H new ATOM 0 HD3 LYS A 447 -1.308 1.619 -12.448 1.00 41.23 H new ATOM 0 HE2 LYS A 447 0.179 -0.227 -12.988 1.00 4.42 H new ATOM 0 HE3 LYS A 447 -1.395 -0.891 -12.595 1.00 4.42 H new ATOM 0 HZ1 LYS A 447 -1.261 -1.958 -14.520 1.00 52.01 H new ATOM 0 HZ2 LYS A 447 -1.499 -0.471 -15.303 1.00 52.01 H new ATOM 0 HZ3 LYS A 447 0.075 -1.047 -15.038 1.00 52.01 H new ATOM 1062 N LEU A 448 -2.812 2.615 -10.431 1.00 73.15 N ATOM 1063 CA LEU A 448 -1.698 2.663 -9.447 1.00 21.45 C ATOM 1064 C LEU A 448 -0.860 1.366 -9.478 1.00 32.24 C ATOM 1065 O LEU A 448 -1.363 0.285 -9.795 1.00 14.50 O ATOM 1066 CB LEU A 448 -2.238 2.927 -8.012 1.00 52.52 C ATOM 1067 CG LEU A 448 -2.970 4.288 -7.792 1.00 62.22 C ATOM 1068 CD1 LEU A 448 -3.314 4.508 -6.302 1.00 2.31 C ATOM 1069 CD2 LEU A 448 -2.155 5.467 -8.373 1.00 24.41 C ATOM 0 H LEU A 448 -3.508 1.899 -10.223 1.00 73.15 H new ATOM 0 HA LEU A 448 -1.046 3.490 -9.730 1.00 21.45 H new ATOM 0 HB2 LEU A 448 -2.925 2.122 -7.751 1.00 52.52 H new ATOM 0 HB3 LEU A 448 -1.402 2.871 -7.315 1.00 52.52 H new ATOM 0 HG LEU A 448 -3.913 4.248 -8.338 1.00 62.22 H new ATOM 0 HD11 LEU A 448 -3.823 5.465 -6.183 1.00 2.31 H new ATOM 0 HD12 LEU A 448 -3.965 3.705 -5.957 1.00 2.31 H new ATOM 0 HD13 LEU A 448 -2.397 4.510 -5.713 1.00 2.31 H new ATOM 0 HD21 LEU A 448 -2.693 6.400 -8.203 1.00 24.41 H new ATOM 0 HD22 LEU A 448 -1.183 5.514 -7.882 1.00 24.41 H new ATOM 0 HD23 LEU A 448 -2.014 5.319 -9.444 1.00 24.41 H new ATOM 1081 N ILE A 449 0.440 1.510 -9.160 1.00 4.43 N ATOM 1082 CA ILE A 449 1.417 0.396 -9.112 1.00 64.21 C ATOM 1083 C ILE A 449 1.760 0.099 -7.634 1.00 2.55 C ATOM 1084 O ILE A 449 1.944 1.030 -6.851 1.00 11.21 O ATOM 1085 CB ILE A 449 2.754 0.733 -9.910 1.00 11.41 C ATOM 1086 CG1 ILE A 449 2.485 1.023 -11.437 1.00 32.54 C ATOM 1087 CG2 ILE A 449 3.805 -0.407 -9.758 1.00 34.00 C ATOM 1088 CD1 ILE A 449 1.814 2.354 -11.761 1.00 2.54 C ATOM 0 H ILE A 449 0.851 2.414 -8.925 1.00 4.43 H new ATOM 0 HA ILE A 449 0.964 -0.473 -9.589 1.00 64.21 H new ATOM 0 HB ILE A 449 3.156 1.644 -9.467 1.00 11.41 H new ATOM 0 HG12 ILE A 449 3.437 0.981 -11.967 1.00 32.54 H new ATOM 0 HG13 ILE A 449 1.864 0.220 -11.834 1.00 32.54 H new ATOM 0 HG21 ILE A 449 4.706 -0.148 -10.314 1.00 34.00 H new ATOM 0 HG22 ILE A 449 4.053 -0.535 -8.704 1.00 34.00 H new ATOM 0 HG23 ILE A 449 3.392 -1.337 -10.149 1.00 34.00 H new ATOM 0 HD11 ILE A 449 1.681 2.441 -12.839 1.00 2.54 H new ATOM 0 HD12 ILE A 449 0.842 2.400 -11.270 1.00 2.54 H new ATOM 0 HD13 ILE A 449 2.439 3.173 -11.405 1.00 2.54 H new ATOM 1100 N MET A 450 1.858 -1.192 -7.264 1.00 20.51 N ATOM 1101 CA MET A 450 2.154 -1.604 -5.877 1.00 54.33 C ATOM 1102 C MET A 450 3.221 -2.728 -5.840 1.00 24.33 C ATOM 1103 O MET A 450 3.040 -3.789 -6.444 1.00 40.11 O ATOM 1104 CB MET A 450 0.845 -2.059 -5.169 1.00 62.42 C ATOM 1105 CG MET A 450 1.019 -2.340 -3.677 1.00 62.12 C ATOM 1106 SD MET A 450 -0.529 -2.658 -2.802 1.00 22.54 S ATOM 1107 CE MET A 450 -0.986 -4.281 -3.402 1.00 45.11 C ATOM 0 H MET A 450 1.736 -1.972 -7.910 1.00 20.51 H new ATOM 0 HA MET A 450 2.564 -0.747 -5.343 1.00 54.33 H new ATOM 0 HB2 MET A 450 0.086 -1.288 -5.298 1.00 62.42 H new ATOM 0 HB3 MET A 450 0.472 -2.959 -5.658 1.00 62.42 H new ATOM 0 HG2 MET A 450 1.677 -3.200 -3.554 1.00 62.12 H new ATOM 0 HG3 MET A 450 1.518 -1.489 -3.214 1.00 62.12 H new ATOM 0 HE1 MET A 450 -1.305 -4.902 -2.565 1.00 45.11 H new ATOM 0 HE2 MET A 450 -1.804 -4.188 -4.117 1.00 45.11 H new ATOM 0 HE3 MET A 450 -0.128 -4.743 -3.891 1.00 45.11 H new ATOM 1117 N GLN A 451 4.338 -2.477 -5.130 1.00 12.44 N ATOM 1118 CA GLN A 451 5.397 -3.486 -4.901 1.00 24.42 C ATOM 1119 C GLN A 451 5.168 -4.204 -3.551 1.00 43.43 C ATOM 1120 O GLN A 451 5.266 -3.579 -2.484 1.00 13.13 O ATOM 1121 CB GLN A 451 6.804 -2.823 -4.913 1.00 41.40 C ATOM 1122 CG GLN A 451 7.973 -3.830 -4.780 1.00 62.32 C ATOM 1123 CD GLN A 451 9.351 -3.169 -4.707 1.00 43.03 C ATOM 1124 OE1 GLN A 451 10.005 -2.943 -5.715 1.00 63.31 O ATOM 1125 NE2 GLN A 451 9.802 -2.853 -3.512 1.00 22.33 N ATOM 0 H GLN A 451 4.534 -1.573 -4.699 1.00 12.44 H new ATOM 0 HA GLN A 451 5.350 -4.217 -5.708 1.00 24.42 H new ATOM 0 HB2 GLN A 451 6.923 -2.263 -5.841 1.00 41.40 H new ATOM 0 HB3 GLN A 451 6.863 -2.103 -4.097 1.00 41.40 H new ATOM 0 HG2 GLN A 451 7.821 -4.433 -3.884 1.00 62.32 H new ATOM 0 HG3 GLN A 451 7.952 -4.512 -5.630 1.00 62.32 H new ATOM 0 HE21 GLN A 451 9.238 -3.051 -2.685 1.00 22.33 H new ATOM 0 HE22 GLN A 451 10.715 -2.410 -3.412 1.00 22.33 H new ATOM 1134 N LEU A 452 4.855 -5.512 -3.606 1.00 2.31 N ATOM 1135 CA LEU A 452 4.689 -6.347 -2.399 1.00 2.45 C ATOM 1136 C LEU A 452 6.054 -6.657 -1.738 1.00 63.30 C ATOM 1137 O LEU A 452 6.895 -7.351 -2.319 1.00 51.22 O ATOM 1138 CB LEU A 452 3.961 -7.666 -2.745 1.00 0.14 C ATOM 1139 CG LEU A 452 2.489 -7.531 -3.234 1.00 31.44 C ATOM 1140 CD1 LEU A 452 1.923 -8.915 -3.609 1.00 32.51 C ATOM 1141 CD2 LEU A 452 1.605 -6.826 -2.172 1.00 53.42 C ATOM 0 H LEU A 452 4.711 -6.018 -4.480 1.00 2.31 H new ATOM 0 HA LEU A 452 4.084 -5.783 -1.689 1.00 2.45 H new ATOM 0 HB2 LEU A 452 4.533 -8.180 -3.517 1.00 0.14 H new ATOM 0 HB3 LEU A 452 3.971 -8.305 -1.862 1.00 0.14 H new ATOM 0 HG LEU A 452 2.479 -6.905 -4.126 1.00 31.44 H new ATOM 0 HD11 LEU A 452 0.893 -8.807 -3.949 1.00 32.51 H new ATOM 0 HD12 LEU A 452 2.525 -9.350 -4.407 1.00 32.51 H new ATOM 0 HD13 LEU A 452 1.950 -9.568 -2.737 1.00 32.51 H new ATOM 0 HD21 LEU A 452 0.583 -6.747 -2.543 1.00 53.42 H new ATOM 0 HD22 LEU A 452 1.612 -7.407 -1.249 1.00 53.42 H new ATOM 0 HD23 LEU A 452 1.998 -5.828 -1.976 1.00 53.42 H new ATOM 1153 N ILE A 453 6.256 -6.118 -0.529 1.00 44.25 N ATOM 1154 CA ILE A 453 7.458 -6.360 0.298 1.00 43.30 C ATOM 1155 C ILE A 453 7.027 -6.815 1.719 1.00 63.13 C ATOM 1156 O ILE A 453 5.973 -6.391 2.205 1.00 20.22 O ATOM 1157 CB ILE A 453 8.392 -5.082 0.387 1.00 3.10 C ATOM 1158 CG1 ILE A 453 7.594 -3.808 0.824 1.00 11.23 C ATOM 1159 CG2 ILE A 453 9.139 -4.843 -0.948 1.00 73.32 C ATOM 1160 CD1 ILE A 453 8.453 -2.566 1.052 1.00 23.03 C ATOM 0 H ILE A 453 5.583 -5.492 -0.086 1.00 44.25 H new ATOM 0 HA ILE A 453 8.041 -7.147 -0.181 1.00 43.30 H new ATOM 0 HB ILE A 453 9.136 -5.278 1.159 1.00 3.10 H new ATOM 0 HG12 ILE A 453 6.849 -3.583 0.061 1.00 11.23 H new ATOM 0 HG13 ILE A 453 7.052 -4.032 1.743 1.00 11.23 H new ATOM 0 HG21 ILE A 453 9.772 -3.960 -0.858 1.00 73.32 H new ATOM 0 HG22 ILE A 453 9.757 -5.711 -1.179 1.00 73.32 H new ATOM 0 HG23 ILE A 453 8.415 -4.690 -1.748 1.00 73.32 H new ATOM 0 HD11 ILE A 453 7.817 -1.733 1.351 1.00 23.03 H new ATOM 0 HD12 ILE A 453 9.182 -2.767 1.838 1.00 23.03 H new ATOM 0 HD13 ILE A 453 8.975 -2.310 0.130 1.00 23.03 H new ATOM 1172 N PRO A 454 7.824 -7.705 2.399 1.00 22.02 N ATOM 1173 CA PRO A 454 7.487 -8.204 3.759 1.00 2.34 C ATOM 1174 C PRO A 454 7.415 -7.070 4.820 1.00 32.45 C ATOM 1175 O PRO A 454 8.325 -6.233 4.926 1.00 65.30 O ATOM 1176 CB PRO A 454 8.627 -9.215 4.069 1.00 73.31 C ATOM 1177 CG PRO A 454 9.750 -8.810 3.163 1.00 1.34 C ATOM 1178 CD PRO A 454 9.093 -8.307 1.899 1.00 61.44 C ATOM 0 HA PRO A 454 6.495 -8.654 3.794 1.00 2.34 H new ATOM 0 HB2 PRO A 454 8.926 -9.166 5.116 1.00 73.31 H new ATOM 0 HB3 PRO A 454 8.311 -10.240 3.875 1.00 73.31 H new ATOM 0 HG2 PRO A 454 10.363 -8.034 3.622 1.00 1.34 H new ATOM 0 HG3 PRO A 454 10.408 -9.653 2.954 1.00 1.34 H new ATOM 0 HD2 PRO A 454 9.714 -7.572 1.386 1.00 61.44 H new ATOM 0 HD3 PRO A 454 8.906 -9.115 1.192 1.00 61.44 H new ATOM 1186 N GLN A 455 6.321 -7.079 5.606 1.00 51.12 N ATOM 1187 CA GLN A 455 6.055 -6.092 6.676 1.00 34.54 C ATOM 1188 C GLN A 455 7.133 -6.160 7.804 1.00 21.44 C ATOM 1189 O GLN A 455 7.293 -5.217 8.592 1.00 15.51 O ATOM 1190 CB GLN A 455 4.623 -6.332 7.236 1.00 5.10 C ATOM 1191 CG GLN A 455 4.047 -5.178 8.079 1.00 52.40 C ATOM 1192 CD GLN A 455 2.643 -5.454 8.640 1.00 31.42 C ATOM 1193 OE1 GLN A 455 2.279 -6.592 8.929 1.00 71.53 O ATOM 1194 NE2 GLN A 455 1.843 -4.413 8.801 1.00 43.15 N ATOM 0 H GLN A 455 5.586 -7.781 5.516 1.00 51.12 H new ATOM 0 HA GLN A 455 6.113 -5.087 6.259 1.00 34.54 H new ATOM 0 HB2 GLN A 455 3.950 -6.521 6.400 1.00 5.10 H new ATOM 0 HB3 GLN A 455 4.635 -7.235 7.846 1.00 5.10 H new ATOM 0 HG2 GLN A 455 4.725 -4.974 8.908 1.00 52.40 H new ATOM 0 HG3 GLN A 455 4.012 -4.277 7.467 1.00 52.40 H new ATOM 0 HE21 GLN A 455 2.167 -3.478 8.554 1.00 43.15 H new ATOM 0 HE22 GLN A 455 0.902 -4.545 9.172 1.00 43.15 H new ATOM 1203 N GLN A 456 7.861 -7.295 7.843 1.00 21.15 N ATOM 1204 CA GLN A 456 9.044 -7.511 8.712 1.00 21.24 C ATOM 1205 C GLN A 456 10.104 -6.373 8.577 1.00 43.41 C ATOM 1206 O GLN A 456 10.563 -5.815 9.575 1.00 14.34 O ATOM 1207 CB GLN A 456 9.694 -8.873 8.330 1.00 1.50 C ATOM 1208 CG GLN A 456 10.985 -9.230 9.102 1.00 32.51 C ATOM 1209 CD GLN A 456 11.690 -10.492 8.586 1.00 55.31 C ATOM 1210 OE1 GLN A 456 11.058 -11.422 8.088 1.00 43.01 O ATOM 1211 NE2 GLN A 456 13.006 -10.531 8.688 1.00 51.12 N ATOM 0 H GLN A 456 7.642 -8.104 7.262 1.00 21.15 H new ATOM 0 HA GLN A 456 8.706 -7.511 9.748 1.00 21.24 H new ATOM 0 HB2 GLN A 456 8.962 -9.664 8.493 1.00 1.50 H new ATOM 0 HB3 GLN A 456 9.919 -8.863 7.264 1.00 1.50 H new ATOM 0 HG2 GLN A 456 11.676 -8.389 9.042 1.00 32.51 H new ATOM 0 HG3 GLN A 456 10.740 -9.367 10.155 1.00 32.51 H new ATOM 0 HE21 GLN A 456 13.509 -9.747 9.105 1.00 51.12 H new ATOM 0 HE22 GLN A 456 13.520 -11.345 8.350 1.00 51.12 H new ATOM 1220 N LEU A 457 10.456 -6.027 7.320 1.00 21.54 N ATOM 1221 CA LEU A 457 11.530 -5.040 7.008 1.00 0.34 C ATOM 1222 C LEU A 457 11.094 -3.580 7.295 1.00 41.22 C ATOM 1223 O LEU A 457 11.938 -2.691 7.459 1.00 30.23 O ATOM 1224 CB LEU A 457 11.961 -5.189 5.522 1.00 63.22 C ATOM 1225 CG LEU A 457 12.478 -6.601 5.104 1.00 42.24 C ATOM 1226 CD1 LEU A 457 12.864 -6.637 3.610 1.00 55.21 C ATOM 1227 CD2 LEU A 457 13.650 -7.062 6.002 1.00 64.13 C ATOM 0 H LEU A 457 10.010 -6.419 6.491 1.00 21.54 H new ATOM 0 HA LEU A 457 12.374 -5.255 7.663 1.00 0.34 H new ATOM 0 HB2 LEU A 457 11.112 -4.932 4.889 1.00 63.22 H new ATOM 0 HB3 LEU A 457 12.745 -4.460 5.316 1.00 63.22 H new ATOM 0 HG LEU A 457 11.660 -7.307 5.249 1.00 42.24 H new ATOM 0 HD11 LEU A 457 13.220 -7.634 3.350 1.00 55.21 H new ATOM 0 HD12 LEU A 457 11.992 -6.394 3.003 1.00 55.21 H new ATOM 0 HD13 LEU A 457 13.653 -5.909 3.420 1.00 55.21 H new ATOM 0 HD21 LEU A 457 13.986 -8.049 5.684 1.00 64.13 H new ATOM 0 HD22 LEU A 457 14.474 -6.353 5.917 1.00 64.13 H new ATOM 0 HD23 LEU A 457 13.317 -7.109 7.039 1.00 64.13 H new ATOM 1239 N LEU A 458 9.770 -3.351 7.361 1.00 42.42 N ATOM 1240 CA LEU A 458 9.180 -2.004 7.584 1.00 74.22 C ATOM 1241 C LEU A 458 9.405 -1.477 9.018 1.00 52.12 C ATOM 1242 O LEU A 458 9.282 -0.271 9.264 1.00 13.40 O ATOM 1243 CB LEU A 458 7.671 -2.036 7.271 1.00 24.45 C ATOM 1244 CG LEU A 458 7.286 -2.467 5.825 1.00 33.43 C ATOM 1245 CD1 LEU A 458 5.759 -2.432 5.644 1.00 64.13 C ATOM 1246 CD2 LEU A 458 8.007 -1.604 4.759 1.00 52.21 C ATOM 0 H LEU A 458 9.073 -4.089 7.262 1.00 42.42 H new ATOM 0 HA LEU A 458 9.692 -1.318 6.909 1.00 74.22 H new ATOM 0 HB2 LEU A 458 7.188 -2.716 7.973 1.00 24.45 H new ATOM 0 HB3 LEU A 458 7.260 -1.043 7.455 1.00 24.45 H new ATOM 0 HG LEU A 458 7.622 -3.493 5.678 1.00 33.43 H new ATOM 0 HD11 LEU A 458 5.506 -2.736 4.628 1.00 64.13 H new ATOM 0 HD12 LEU A 458 5.293 -3.115 6.354 1.00 64.13 H new ATOM 0 HD13 LEU A 458 5.395 -1.420 5.821 1.00 64.13 H new ATOM 0 HD21 LEU A 458 7.713 -1.935 3.763 1.00 52.21 H new ATOM 0 HD22 LEU A 458 7.731 -0.558 4.890 1.00 52.21 H new ATOM 0 HD23 LEU A 458 9.086 -1.711 4.873 1.00 52.21 H new ATOM 1258 N THR A 459 9.711 -2.391 9.958 1.00 2.12 N ATOM 1259 CA THR A 459 10.025 -2.043 11.371 1.00 3.24 C ATOM 1260 C THR A 459 11.315 -1.186 11.475 1.00 23.13 C ATOM 1261 O THR A 459 11.518 -0.462 12.459 1.00 51.24 O ATOM 1262 CB THR A 459 10.182 -3.329 12.246 1.00 54.43 C ATOM 1263 OG1 THR A 459 11.290 -4.118 11.769 1.00 42.10 O ATOM 1264 CG2 THR A 459 8.895 -4.186 12.235 1.00 14.44 C ATOM 0 H THR A 459 9.749 -3.392 9.767 1.00 2.12 H new ATOM 0 HA THR A 459 9.187 -1.456 11.746 1.00 3.24 H new ATOM 0 HB THR A 459 10.369 -3.010 13.271 1.00 54.43 H new ATOM 0 HG1 THR A 459 10.990 -4.692 11.034 1.00 42.10 H new ATOM 0 HG21 THR A 459 9.042 -5.071 12.854 1.00 14.44 H new ATOM 0 HG22 THR A 459 8.065 -3.601 12.630 1.00 14.44 H new ATOM 0 HG23 THR A 459 8.670 -4.491 11.213 1.00 14.44 H new ATOM 1272 N THR A 460 12.183 -1.292 10.443 1.00 44.21 N ATOM 1273 CA THR A 460 13.356 -0.399 10.256 1.00 44.55 C ATOM 1274 C THR A 460 12.906 1.074 10.088 1.00 20.04 C ATOM 1275 O THR A 460 13.516 1.999 10.631 1.00 31.10 O ATOM 1276 CB THR A 460 14.190 -0.824 8.992 1.00 62.43 C ATOM 1277 OG1 THR A 460 14.532 -2.220 9.073 1.00 43.22 O ATOM 1278 CG2 THR A 460 15.482 0.005 8.829 1.00 33.20 C ATOM 0 H THR A 460 12.092 -1.999 9.714 1.00 44.21 H new ATOM 0 HA THR A 460 13.978 -0.489 11.146 1.00 44.55 H new ATOM 0 HB THR A 460 13.562 -0.636 8.121 1.00 62.43 H new ATOM 0 HG1 THR A 460 13.857 -2.750 8.599 1.00 43.22 H new ATOM 0 HG21 THR A 460 16.019 -0.329 7.942 1.00 33.20 H new ATOM 0 HG22 THR A 460 15.227 1.059 8.723 1.00 33.20 H new ATOM 0 HG23 THR A 460 16.113 -0.129 9.707 1.00 33.20 H new ATOM 1286 N LEU A 461 11.799 1.263 9.344 1.00 65.45 N ATOM 1287 CA LEU A 461 11.272 2.597 8.972 1.00 24.44 C ATOM 1288 C LEU A 461 10.200 3.090 9.980 1.00 52.11 C ATOM 1289 O LEU A 461 9.304 3.845 9.599 1.00 65.14 O ATOM 1290 CB LEU A 461 10.651 2.533 7.542 1.00 61.42 C ATOM 1291 CG LEU A 461 11.496 1.822 6.436 1.00 21.35 C ATOM 1292 CD1 LEU A 461 10.779 1.862 5.071 1.00 54.00 C ATOM 1293 CD2 LEU A 461 12.922 2.403 6.344 1.00 72.15 C ATOM 0 H LEU A 461 11.239 0.492 8.980 1.00 65.45 H new ATOM 0 HA LEU A 461 12.102 3.303 8.990 1.00 24.44 H new ATOM 0 HB2 LEU A 461 9.689 2.026 7.612 1.00 61.42 H new ATOM 0 HB3 LEU A 461 10.451 3.553 7.213 1.00 61.42 H new ATOM 0 HG LEU A 461 11.595 0.776 6.725 1.00 21.35 H new ATOM 0 HD11 LEU A 461 11.392 1.359 4.323 1.00 54.00 H new ATOM 0 HD12 LEU A 461 9.817 1.356 5.151 1.00 54.00 H new ATOM 0 HD13 LEU A 461 10.621 2.899 4.773 1.00 54.00 H new ATOM 0 HD21 LEU A 461 13.477 1.882 5.564 1.00 72.15 H new ATOM 0 HD22 LEU A 461 12.867 3.465 6.104 1.00 72.15 H new ATOM 0 HD23 LEU A 461 13.430 2.273 7.299 1.00 72.15 H new ATOM 1305 N GLY A 462 10.330 2.687 11.260 1.00 52.11 N ATOM 1306 CA GLY A 462 9.364 3.046 12.321 1.00 72.33 C ATOM 1307 C GLY A 462 8.952 4.540 12.354 1.00 5.13 C ATOM 1308 O GLY A 462 7.760 4.834 12.198 1.00 52.30 O ATOM 0 H GLY A 462 11.102 2.107 11.587 1.00 52.11 H new ATOM 0 HA2 GLY A 462 8.467 2.440 12.195 1.00 72.33 H new ATOM 0 HA3 GLY A 462 9.794 2.782 13.287 1.00 72.33 H new ATOM 1312 N PRO A 463 9.915 5.514 12.527 1.00 61.15 N ATOM 1313 CA PRO A 463 9.620 6.983 12.455 1.00 24.31 C ATOM 1314 C PRO A 463 8.934 7.438 11.131 1.00 63.33 C ATOM 1315 O PRO A 463 8.112 8.361 11.140 1.00 41.12 O ATOM 1316 CB PRO A 463 11.020 7.638 12.610 1.00 34.11 C ATOM 1317 CG PRO A 463 11.820 6.617 13.362 1.00 62.10 C ATOM 1318 CD PRO A 463 11.348 5.271 12.854 1.00 40.42 C ATOM 0 HA PRO A 463 8.901 7.273 13.221 1.00 24.31 H new ATOM 0 HB2 PRO A 463 11.466 7.859 11.640 1.00 34.11 H new ATOM 0 HB3 PRO A 463 10.961 8.580 13.156 1.00 34.11 H new ATOM 0 HG2 PRO A 463 12.888 6.749 13.186 1.00 62.10 H new ATOM 0 HG3 PRO A 463 11.660 6.708 14.436 1.00 62.10 H new ATOM 0 HD2 PRO A 463 11.912 4.951 11.978 1.00 40.42 H new ATOM 0 HD3 PRO A 463 11.462 4.493 13.609 1.00 40.42 H new ATOM 1326 N LEU A 464 9.281 6.783 10.003 1.00 15.44 N ATOM 1327 CA LEU A 464 8.694 7.083 8.665 1.00 64.41 C ATOM 1328 C LEU A 464 7.196 6.677 8.574 1.00 0.22 C ATOM 1329 O LEU A 464 6.421 7.287 7.824 1.00 24.41 O ATOM 1330 CB LEU A 464 9.530 6.398 7.555 1.00 54.14 C ATOM 1331 CG LEU A 464 10.960 6.992 7.332 1.00 74.35 C ATOM 1332 CD1 LEU A 464 11.798 6.116 6.375 1.00 61.23 C ATOM 1333 CD2 LEU A 464 10.873 8.461 6.830 1.00 43.30 C ATOM 0 H LEU A 464 9.972 6.033 9.986 1.00 15.44 H new ATOM 0 HA LEU A 464 8.730 8.163 8.519 1.00 64.41 H new ATOM 0 HB2 LEU A 464 9.628 5.340 7.798 1.00 54.14 H new ATOM 0 HB3 LEU A 464 8.978 6.460 6.617 1.00 54.14 H new ATOM 0 HG LEU A 464 11.474 6.994 8.293 1.00 74.35 H new ATOM 0 HD11 LEU A 464 12.785 6.561 6.245 1.00 61.23 H new ATOM 0 HD12 LEU A 464 11.903 5.116 6.796 1.00 61.23 H new ATOM 0 HD13 LEU A 464 11.298 6.052 5.408 1.00 61.23 H new ATOM 0 HD21 LEU A 464 11.878 8.855 6.681 1.00 43.30 H new ATOM 0 HD22 LEU A 464 10.328 8.491 5.886 1.00 43.30 H new ATOM 0 HD23 LEU A 464 10.351 9.068 7.570 1.00 43.30 H new ATOM 1345 N PHE A 465 6.803 5.646 9.344 1.00 41.33 N ATOM 1346 CA PHE A 465 5.384 5.226 9.487 1.00 45.41 C ATOM 1347 C PHE A 465 4.641 6.069 10.551 1.00 74.02 C ATOM 1348 O PHE A 465 3.406 6.106 10.558 1.00 21.14 O ATOM 1349 CB PHE A 465 5.290 3.714 9.828 1.00 53.21 C ATOM 1350 CG PHE A 465 5.548 2.792 8.637 1.00 60.34 C ATOM 1351 CD1 PHE A 465 6.797 2.731 8.028 1.00 2.31 C ATOM 1352 CD2 PHE A 465 4.530 1.993 8.116 1.00 31.54 C ATOM 1353 CE1 PHE A 465 7.017 1.913 6.944 1.00 25.42 C ATOM 1354 CE2 PHE A 465 4.753 1.173 7.036 1.00 74.23 C ATOM 1355 CZ PHE A 465 5.996 1.138 6.448 1.00 55.41 C ATOM 0 H PHE A 465 7.453 5.077 9.886 1.00 41.33 H new ATOM 0 HA PHE A 465 4.895 5.399 8.528 1.00 45.41 H new ATOM 0 HB2 PHE A 465 6.008 3.484 10.615 1.00 53.21 H new ATOM 0 HB3 PHE A 465 4.299 3.503 10.230 1.00 53.21 H new ATOM 0 HD1 PHE A 465 7.606 3.335 8.412 1.00 2.31 H new ATOM 0 HD2 PHE A 465 3.550 2.019 8.569 1.00 31.54 H new ATOM 0 HE1 PHE A 465 7.993 1.880 6.482 1.00 25.42 H new ATOM 0 HE2 PHE A 465 3.954 0.557 6.650 1.00 74.23 H new ATOM 0 HZ PHE A 465 6.170 0.500 5.594 1.00 55.41 H new ATOM 1365 N ARG A 466 5.390 6.722 11.463 1.00 14.31 N ATOM 1366 CA ARG A 466 4.796 7.652 12.451 1.00 64.55 C ATOM 1367 C ARG A 466 4.454 9.014 11.781 1.00 44.44 C ATOM 1368 O ARG A 466 3.395 9.599 12.046 1.00 71.31 O ATOM 1369 CB ARG A 466 5.740 7.856 13.672 1.00 34.13 C ATOM 1370 CG ARG A 466 6.160 6.554 14.402 1.00 1.11 C ATOM 1371 CD ARG A 466 4.970 5.710 14.910 1.00 62.44 C ATOM 1372 NE ARG A 466 4.136 6.433 15.887 1.00 62.32 N ATOM 1373 CZ ARG A 466 3.292 5.874 16.735 1.00 64.42 C ATOM 1374 NH1 ARG A 466 3.156 4.585 16.816 1.00 43.13 N ATOM 1375 NH2 ARG A 466 2.591 6.626 17.518 1.00 63.31 N ATOM 0 H ARG A 466 6.403 6.625 11.538 1.00 14.31 H new ATOM 0 HA ARG A 466 3.871 7.208 12.819 1.00 64.55 H new ATOM 0 HB2 ARG A 466 6.639 8.371 13.334 1.00 34.13 H new ATOM 0 HB3 ARG A 466 5.246 8.513 14.388 1.00 34.13 H new ATOM 0 HG2 ARG A 466 6.761 5.947 13.725 1.00 1.11 H new ATOM 0 HG3 ARG A 466 6.797 6.813 15.248 1.00 1.11 H new ATOM 0 HD2 ARG A 466 4.353 5.412 14.062 1.00 62.44 H new ATOM 0 HD3 ARG A 466 5.347 4.795 15.367 1.00 62.44 H new ATOM 0 HE ARG A 466 4.218 7.449 15.910 1.00 62.32 H new ATOM 0 HH11 ARG A 466 3.710 3.975 16.214 1.00 43.13 H new ATOM 0 HH12 ARG A 466 2.496 4.183 17.481 1.00 43.13 H new ATOM 0 HH21 ARG A 466 2.693 7.640 17.477 1.00 63.31 H new ATOM 0 HH22 ARG A 466 1.936 6.205 18.177 1.00 63.31 H new ATOM 1389 N ASN A 467 5.355 9.492 10.895 1.00 4.32 N ATOM 1390 CA ASN A 467 5.179 10.765 10.153 1.00 52.42 C ATOM 1391 C ASN A 467 4.367 10.523 8.848 1.00 1.20 C ATOM 1392 O ASN A 467 4.935 10.420 7.754 1.00 1.42 O ATOM 1393 CB ASN A 467 6.574 11.390 9.851 1.00 33.40 C ATOM 1394 CG ASN A 467 6.515 12.773 9.187 1.00 62.12 C ATOM 1395 OD1 ASN A 467 5.606 13.556 9.437 1.00 74.41 O ATOM 1396 ND2 ASN A 467 7.480 13.079 8.337 1.00 53.03 N ATOM 0 H ASN A 467 6.225 9.008 10.672 1.00 4.32 H new ATOM 0 HA ASN A 467 4.614 11.468 10.765 1.00 52.42 H new ATOM 0 HB2 ASN A 467 7.133 11.471 10.783 1.00 33.40 H new ATOM 0 HB3 ASN A 467 7.131 10.712 9.204 1.00 33.40 H new ATOM 0 HD21 ASN A 467 7.480 13.986 7.871 1.00 53.03 H new ATOM 0 HD22 ASN A 467 8.224 12.408 8.148 1.00 53.03 H new ATOM 1403 N SER A 468 3.031 10.409 8.994 1.00 5.20 N ATOM 1404 CA SER A 468 2.115 10.045 7.879 1.00 22.32 C ATOM 1405 C SER A 468 0.632 10.299 8.251 1.00 2.12 C ATOM 1406 O SER A 468 0.332 10.865 9.308 1.00 44.51 O ATOM 1407 CB SER A 468 2.308 8.547 7.513 1.00 0.33 C ATOM 1408 OG SER A 468 1.983 7.710 8.609 1.00 52.13 O ATOM 0 H SER A 468 2.553 10.565 9.881 1.00 5.20 H new ATOM 0 HA SER A 468 2.361 10.675 7.024 1.00 22.32 H new ATOM 0 HB2 SER A 468 1.680 8.294 6.659 1.00 0.33 H new ATOM 0 HB3 SER A 468 3.341 8.373 7.212 1.00 0.33 H new ATOM 0 HG SER A 468 2.803 7.315 8.973 1.00 52.13 H new ATOM 1414 N ARG A 469 -0.289 9.892 7.346 1.00 71.24 N ATOM 1415 CA ARG A 469 -1.752 9.835 7.628 1.00 62.54 C ATOM 1416 C ARG A 469 -2.386 8.531 7.087 1.00 42.32 C ATOM 1417 O ARG A 469 -2.026 8.064 6.005 1.00 41.33 O ATOM 1418 CB ARG A 469 -2.494 11.058 7.022 1.00 43.11 C ATOM 1419 CG ARG A 469 -2.287 11.278 5.498 1.00 51.31 C ATOM 1420 CD ARG A 469 -3.217 12.376 4.925 1.00 11.41 C ATOM 1421 NE ARG A 469 -3.142 13.635 5.699 1.00 15.04 N ATOM 1422 CZ ARG A 469 -4.155 14.447 5.943 1.00 71.23 C ATOM 1423 NH1 ARG A 469 -5.334 14.231 5.446 1.00 63.11 N ATOM 1424 NH2 ARG A 469 -3.972 15.482 6.691 1.00 15.24 N ATOM 0 H ARG A 469 -0.045 9.594 6.402 1.00 71.24 H new ATOM 0 HA ARG A 469 -1.862 9.855 8.712 1.00 62.54 H new ATOM 0 HB2 ARG A 469 -3.561 10.945 7.213 1.00 43.11 H new ATOM 0 HB3 ARG A 469 -2.169 11.955 7.548 1.00 43.11 H new ATOM 0 HG2 ARG A 469 -1.249 11.552 5.312 1.00 51.31 H new ATOM 0 HG3 ARG A 469 -2.469 10.341 4.971 1.00 51.31 H new ATOM 0 HD2 ARG A 469 -2.947 12.573 3.888 1.00 11.41 H new ATOM 0 HD3 ARG A 469 -4.245 12.014 4.923 1.00 11.41 H new ATOM 0 HE ARG A 469 -2.231 13.898 6.076 1.00 15.04 H new ATOM 0 HH11 ARG A 469 -5.496 13.418 4.851 1.00 63.11 H new ATOM 0 HH12 ARG A 469 -6.099 14.874 5.650 1.00 63.11 H new ATOM 0 HH21 ARG A 469 -3.051 15.668 7.088 1.00 15.24 H new ATOM 0 HH22 ARG A 469 -4.748 16.115 6.885 1.00 15.24 H new ATOM 1438 N MET A 470 -3.345 7.966 7.844 1.00 45.34 N ATOM 1439 CA MET A 470 -4.137 6.791 7.401 1.00 35.55 C ATOM 1440 C MET A 470 -5.349 7.219 6.544 1.00 73.22 C ATOM 1441 O MET A 470 -6.223 7.966 6.996 1.00 44.31 O ATOM 1442 CB MET A 470 -4.625 5.948 8.623 1.00 51.11 C ATOM 1443 CG MET A 470 -3.609 4.919 9.099 1.00 53.34 C ATOM 1444 SD MET A 470 -4.044 4.166 10.685 1.00 43.44 S ATOM 1445 CE MET A 470 -2.642 3.078 10.960 1.00 64.23 C ATOM 0 H MET A 470 -3.595 8.304 8.773 1.00 45.34 H new ATOM 0 HA MET A 470 -3.480 6.174 6.788 1.00 35.55 H new ATOM 0 HB2 MET A 470 -4.861 6.621 9.447 1.00 51.11 H new ATOM 0 HB3 MET A 470 -5.549 5.436 8.355 1.00 51.11 H new ATOM 0 HG2 MET A 470 -3.515 4.136 8.346 1.00 53.34 H new ATOM 0 HG3 MET A 470 -2.633 5.396 9.186 1.00 53.34 H new ATOM 0 HE1 MET A 470 -2.837 2.445 11.826 1.00 64.23 H new ATOM 0 HE2 MET A 470 -2.489 2.453 10.080 1.00 64.23 H new ATOM 0 HE3 MET A 470 -1.748 3.675 11.141 1.00 64.23 H new ATOM 1455 N VAL A 471 -5.368 6.731 5.299 1.00 13.12 N ATOM 1456 CA VAL A 471 -6.547 6.830 4.395 1.00 53.34 C ATOM 1457 C VAL A 471 -7.124 5.416 4.145 1.00 11.04 C ATOM 1458 O VAL A 471 -6.385 4.424 4.125 1.00 25.34 O ATOM 1459 CB VAL A 471 -6.218 7.560 3.032 1.00 12.43 C ATOM 1460 CG1 VAL A 471 -5.740 9.013 3.278 1.00 32.41 C ATOM 1461 CG2 VAL A 471 -5.194 6.774 2.175 1.00 52.33 C ATOM 0 H VAL A 471 -4.571 6.253 4.878 1.00 13.12 H new ATOM 0 HA VAL A 471 -7.295 7.448 4.892 1.00 53.34 H new ATOM 0 HB VAL A 471 -7.146 7.598 2.462 1.00 12.43 H new ATOM 0 HG11 VAL A 471 -5.521 9.491 2.323 1.00 32.41 H new ATOM 0 HG12 VAL A 471 -6.522 9.571 3.792 1.00 32.41 H new ATOM 0 HG13 VAL A 471 -4.840 9.001 3.892 1.00 32.41 H new ATOM 0 HG21 VAL A 471 -5.001 7.317 1.250 1.00 52.33 H new ATOM 0 HG22 VAL A 471 -4.263 6.663 2.731 1.00 52.33 H new ATOM 0 HG23 VAL A 471 -5.596 5.788 1.941 1.00 52.33 H new ATOM 1471 N GLN A 472 -8.448 5.331 3.969 1.00 62.10 N ATOM 1472 CA GLN A 472 -9.175 4.046 3.941 1.00 43.22 C ATOM 1473 C GLN A 472 -9.469 3.593 2.488 1.00 45.35 C ATOM 1474 O GLN A 472 -10.286 4.196 1.796 1.00 13.22 O ATOM 1475 CB GLN A 472 -10.476 4.210 4.775 1.00 54.02 C ATOM 1476 CG GLN A 472 -11.391 2.972 4.855 1.00 71.12 C ATOM 1477 CD GLN A 472 -12.551 3.139 5.853 1.00 30.30 C ATOM 1478 OE1 GLN A 472 -12.999 4.249 6.142 1.00 1.32 O ATOM 1479 NE2 GLN A 472 -13.082 2.038 6.349 1.00 21.50 N ATOM 0 H GLN A 472 -9.049 6.146 3.842 1.00 62.10 H new ATOM 0 HA GLN A 472 -8.560 3.260 4.380 1.00 43.22 H new ATOM 0 HB2 GLN A 472 -10.199 4.498 5.789 1.00 54.02 H new ATOM 0 HB3 GLN A 472 -11.051 5.035 4.355 1.00 54.02 H new ATOM 0 HG2 GLN A 472 -11.799 2.765 3.865 1.00 71.12 H new ATOM 0 HG3 GLN A 472 -10.795 2.106 5.142 1.00 71.12 H new ATOM 0 HE21 GLN A 472 -12.697 1.128 6.097 1.00 21.50 H new ATOM 0 HE22 GLN A 472 -13.878 2.097 6.984 1.00 21.50 H new ATOM 1488 N PHE A 473 -8.792 2.516 2.040 1.00 12.51 N ATOM 1489 CA PHE A 473 -8.990 1.942 0.693 1.00 53.22 C ATOM 1490 C PHE A 473 -10.162 0.934 0.710 1.00 44.30 C ATOM 1491 O PHE A 473 -10.060 -0.163 1.276 1.00 33.21 O ATOM 1492 CB PHE A 473 -7.695 1.233 0.188 1.00 61.23 C ATOM 1493 CG PHE A 473 -6.576 2.167 -0.269 1.00 34.32 C ATOM 1494 CD1 PHE A 473 -5.845 2.923 0.649 1.00 34.42 C ATOM 1495 CD2 PHE A 473 -6.243 2.277 -1.623 1.00 63.34 C ATOM 1496 CE1 PHE A 473 -4.825 3.756 0.227 1.00 2.12 C ATOM 1497 CE2 PHE A 473 -5.222 3.110 -2.041 1.00 42.35 C ATOM 1498 CZ PHE A 473 -4.513 3.851 -1.117 1.00 33.04 C ATOM 0 H PHE A 473 -8.096 2.022 2.598 1.00 12.51 H new ATOM 0 HA PHE A 473 -9.224 2.759 0.011 1.00 53.22 H new ATOM 0 HB2 PHE A 473 -7.313 0.598 0.987 1.00 61.23 H new ATOM 0 HB3 PHE A 473 -7.959 0.577 -0.641 1.00 61.23 H new ATOM 0 HD1 PHE A 473 -6.079 2.857 1.701 1.00 34.42 H new ATOM 0 HD2 PHE A 473 -6.792 1.702 -2.354 1.00 63.34 H new ATOM 0 HE1 PHE A 473 -4.270 4.335 0.950 1.00 2.12 H new ATOM 0 HE2 PHE A 473 -4.979 3.181 -3.091 1.00 42.35 H new ATOM 0 HZ PHE A 473 -3.716 4.503 -1.443 1.00 33.04 H new ATOM 1508 N HIS A 474 -11.275 1.346 0.093 1.00 45.12 N ATOM 1509 CA HIS A 474 -12.437 0.489 -0.172 1.00 25.03 C ATOM 1510 C HIS A 474 -12.285 -0.162 -1.564 1.00 52.00 C ATOM 1511 O HIS A 474 -12.402 0.515 -2.591 1.00 0.14 O ATOM 1512 CB HIS A 474 -13.735 1.335 -0.095 1.00 12.12 C ATOM 1513 CG HIS A 474 -15.003 0.558 -0.359 1.00 13.33 C ATOM 1514 ND1 HIS A 474 -15.564 -0.232 0.610 1.00 4.31 N ATOM 1515 CD2 HIS A 474 -15.763 0.475 -1.488 1.00 62.44 C ATOM 1516 CE1 HIS A 474 -16.633 -0.772 0.067 1.00 2.22 C ATOM 1517 NE2 HIS A 474 -16.799 -0.375 -1.201 1.00 75.21 N ATOM 0 H HIS A 474 -11.396 2.302 -0.242 1.00 45.12 H new ATOM 0 HA HIS A 474 -12.496 -0.301 0.577 1.00 25.03 H new ATOM 0 HB2 HIS A 474 -13.800 1.788 0.894 1.00 12.12 H new ATOM 0 HB3 HIS A 474 -13.666 2.150 -0.815 1.00 12.12 H new ATOM 0 HD2 HIS A 474 -15.584 0.980 -2.425 1.00 62.44 H new ATOM 0 HE1 HIS A 474 -17.296 -1.452 0.581 1.00 2.22 H new ATOM 0 HE2 HIS A 474 -17.551 -0.652 -1.832 1.00 75.21 H new ATOM 1525 N PHE A 475 -11.976 -1.460 -1.589 1.00 14.14 N ATOM 1526 CA PHE A 475 -11.922 -2.240 -2.836 1.00 51.25 C ATOM 1527 C PHE A 475 -13.356 -2.612 -3.279 1.00 23.45 C ATOM 1528 O PHE A 475 -14.064 -3.340 -2.572 1.00 32.14 O ATOM 1529 CB PHE A 475 -11.021 -3.487 -2.652 1.00 34.13 C ATOM 1530 CG PHE A 475 -9.539 -3.123 -2.528 1.00 13.32 C ATOM 1531 CD1 PHE A 475 -8.990 -2.707 -1.315 1.00 42.43 C ATOM 1532 CD2 PHE A 475 -8.697 -3.177 -3.635 1.00 10.44 C ATOM 1533 CE1 PHE A 475 -7.655 -2.361 -1.222 1.00 31.20 C ATOM 1534 CE2 PHE A 475 -7.362 -2.833 -3.540 1.00 61.10 C ATOM 1535 CZ PHE A 475 -6.842 -2.427 -2.331 1.00 5.21 C ATOM 0 H PHE A 475 -11.757 -2.001 -0.753 1.00 14.14 H new ATOM 0 HA PHE A 475 -11.476 -1.639 -3.628 1.00 51.25 H new ATOM 0 HB2 PHE A 475 -11.335 -4.030 -1.761 1.00 34.13 H new ATOM 0 HB3 PHE A 475 -11.158 -4.159 -3.499 1.00 34.13 H new ATOM 0 HD1 PHE A 475 -9.616 -2.655 -0.437 1.00 42.43 H new ATOM 0 HD2 PHE A 475 -9.095 -3.494 -4.588 1.00 10.44 H new ATOM 0 HE1 PHE A 475 -7.248 -2.038 -0.275 1.00 31.20 H new ATOM 0 HE2 PHE A 475 -6.727 -2.882 -4.412 1.00 61.10 H new ATOM 0 HZ PHE A 475 -5.798 -2.161 -2.253 1.00 5.21 H new ATOM 1545 N THR A 476 -13.769 -2.060 -4.439 1.00 64.14 N ATOM 1546 CA THR A 476 -15.142 -2.177 -4.975 1.00 64.21 C ATOM 1547 C THR A 476 -15.537 -3.659 -5.199 1.00 62.33 C ATOM 1548 O THR A 476 -14.837 -4.381 -5.919 1.00 31.25 O ATOM 1549 CB THR A 476 -15.283 -1.386 -6.320 1.00 25.40 C ATOM 1550 OG1 THR A 476 -14.710 -0.075 -6.178 1.00 3.34 O ATOM 1551 CG2 THR A 476 -16.755 -1.243 -6.754 1.00 11.04 C ATOM 0 H THR A 476 -13.150 -1.513 -5.038 1.00 64.14 H new ATOM 0 HA THR A 476 -15.817 -1.747 -4.235 1.00 64.21 H new ATOM 0 HB THR A 476 -14.754 -1.953 -7.086 1.00 25.40 H new ATOM 0 HG1 THR A 476 -14.800 0.414 -7.022 1.00 3.34 H new ATOM 0 HG21 THR A 476 -16.806 -0.688 -7.691 1.00 11.04 H new ATOM 0 HG22 THR A 476 -17.191 -2.232 -6.894 1.00 11.04 H new ATOM 0 HG23 THR A 476 -17.311 -0.707 -5.985 1.00 11.04 H new ATOM 1559 N ASN A 477 -16.672 -4.062 -4.573 1.00 50.22 N ATOM 1560 CA ASN A 477 -17.146 -5.469 -4.462 1.00 52.32 C ATOM 1561 C ASN A 477 -16.227 -6.302 -3.523 1.00 22.34 C ATOM 1562 O ASN A 477 -15.017 -6.404 -3.731 1.00 4.12 O ATOM 1563 CB ASN A 477 -17.315 -6.180 -5.843 1.00 25.43 C ATOM 1564 CG ASN A 477 -18.355 -5.535 -6.758 1.00 33.35 C ATOM 1565 OD1 ASN A 477 -18.606 -4.336 -6.698 1.00 61.41 O ATOM 1566 ND2 ASN A 477 -18.960 -6.322 -7.632 1.00 61.41 N ATOM 0 H ASN A 477 -17.301 -3.400 -4.118 1.00 50.22 H new ATOM 0 HA ASN A 477 -18.141 -5.412 -4.021 1.00 52.32 H new ATOM 0 HB2 ASN A 477 -16.353 -6.188 -6.355 1.00 25.43 H new ATOM 0 HB3 ASN A 477 -17.594 -7.220 -5.672 1.00 25.43 H new ATOM 0 HD21 ASN A 477 -19.651 -5.934 -8.274 1.00 61.41 H new ATOM 0 HD22 ASN A 477 -18.735 -7.316 -7.664 1.00 61.41 H new ATOM 1573 N LYS A 478 -16.835 -6.925 -2.507 1.00 62.55 N ATOM 1574 CA LYS A 478 -16.118 -7.759 -1.498 1.00 60.10 C ATOM 1575 C LYS A 478 -16.084 -9.259 -1.913 1.00 22.51 C ATOM 1576 O LYS A 478 -15.932 -10.151 -1.066 1.00 72.41 O ATOM 1577 CB LYS A 478 -16.754 -7.538 -0.078 1.00 2.53 C ATOM 1578 CG LYS A 478 -18.298 -7.339 -0.041 1.00 73.34 C ATOM 1579 CD LYS A 478 -19.117 -8.585 -0.457 1.00 61.34 C ATOM 1580 CE LYS A 478 -20.622 -8.287 -0.607 1.00 21.24 C ATOM 1581 NZ LYS A 478 -21.377 -9.463 -1.117 1.00 22.40 N ATOM 0 H LYS A 478 -17.841 -6.873 -2.349 1.00 62.55 H new ATOM 0 HA LYS A 478 -15.077 -7.440 -1.451 1.00 60.10 H new ATOM 0 HB2 LYS A 478 -16.504 -8.395 0.547 1.00 2.53 H new ATOM 0 HB3 LYS A 478 -16.285 -6.665 0.376 1.00 2.53 H new ATOM 0 HG2 LYS A 478 -18.590 -7.049 0.968 1.00 73.34 H new ATOM 0 HG3 LYS A 478 -18.561 -6.511 -0.699 1.00 73.34 H new ATOM 0 HD2 LYS A 478 -18.731 -8.969 -1.401 1.00 61.34 H new ATOM 0 HD3 LYS A 478 -18.979 -9.370 0.287 1.00 61.34 H new ATOM 0 HE2 LYS A 478 -21.029 -7.986 0.358 1.00 21.24 H new ATOM 0 HE3 LYS A 478 -20.759 -7.446 -1.287 1.00 21.24 H new ATOM 0 HZ1 LYS A 478 -22.197 -9.137 -1.667 1.00 22.40 H new ATOM 0 HZ2 LYS A 478 -20.758 -10.036 -1.725 1.00 22.40 H new ATOM 0 HZ3 LYS A 478 -21.705 -10.039 -0.316 1.00 22.40 H new ATOM 1595 N ASP A 479 -16.164 -9.511 -3.236 1.00 61.24 N ATOM 1596 CA ASP A 479 -16.362 -10.865 -3.806 1.00 11.11 C ATOM 1597 C ASP A 479 -15.219 -11.327 -4.761 1.00 41.35 C ATOM 1598 O ASP A 479 -15.217 -12.494 -5.168 1.00 51.35 O ATOM 1599 CB ASP A 479 -17.714 -10.899 -4.568 1.00 45.23 C ATOM 1600 CG ASP A 479 -18.893 -10.381 -3.730 1.00 22.13 C ATOM 1601 OD1 ASP A 479 -19.473 -11.160 -2.940 1.00 61.10 O ATOM 1602 OD2 ASP A 479 -19.237 -9.182 -3.848 1.00 54.44 O ATOM 0 H ASP A 479 -16.093 -8.780 -3.944 1.00 61.24 H new ATOM 0 HA ASP A 479 -16.357 -11.560 -2.967 1.00 11.11 H new ATOM 0 HB2 ASP A 479 -17.629 -10.299 -5.474 1.00 45.23 H new ATOM 0 HB3 ASP A 479 -17.921 -11.922 -4.882 1.00 45.23 H new ATOM 1607 N LEU A 480 -14.264 -10.440 -5.127 1.00 74.34 N ATOM 1608 CA LEU A 480 -13.239 -10.779 -6.161 1.00 43.31 C ATOM 1609 C LEU A 480 -12.249 -11.878 -5.688 1.00 42.13 C ATOM 1610 O LEU A 480 -11.896 -11.945 -4.509 1.00 35.24 O ATOM 1611 CB LEU A 480 -12.432 -9.537 -6.647 1.00 73.12 C ATOM 1612 CG LEU A 480 -13.208 -8.428 -7.441 1.00 41.33 C ATOM 1613 CD1 LEU A 480 -14.081 -9.013 -8.568 1.00 41.22 C ATOM 1614 CD2 LEU A 480 -14.018 -7.521 -6.505 1.00 13.01 C ATOM 0 H LEU A 480 -14.176 -9.502 -4.736 1.00 74.34 H new ATOM 0 HA LEU A 480 -13.815 -11.167 -7.001 1.00 43.31 H new ATOM 0 HB2 LEU A 480 -11.979 -9.069 -5.773 1.00 73.12 H new ATOM 0 HB3 LEU A 480 -11.617 -9.892 -7.277 1.00 73.12 H new ATOM 0 HG LEU A 480 -12.455 -7.806 -7.924 1.00 41.33 H new ATOM 0 HD11 LEU A 480 -14.596 -8.204 -9.086 1.00 41.22 H new ATOM 0 HD12 LEU A 480 -13.450 -9.552 -9.274 1.00 41.22 H new ATOM 0 HD13 LEU A 480 -14.815 -9.697 -8.142 1.00 41.22 H new ATOM 0 HD21 LEU A 480 -14.541 -6.766 -7.092 1.00 13.01 H new ATOM 0 HD22 LEU A 480 -14.744 -8.121 -5.956 1.00 13.01 H new ATOM 0 HD23 LEU A 480 -13.345 -7.031 -5.801 1.00 13.01 H new ATOM 1626 N GLU A 481 -11.805 -12.718 -6.643 1.00 0.20 N ATOM 1627 CA GLU A 481 -10.837 -13.818 -6.390 1.00 62.35 C ATOM 1628 C GLU A 481 -9.423 -13.253 -6.091 1.00 20.11 C ATOM 1629 O GLU A 481 -8.699 -13.765 -5.232 1.00 60.34 O ATOM 1630 CB GLU A 481 -10.813 -14.777 -7.615 1.00 1.30 C ATOM 1631 CG GLU A 481 -10.015 -16.084 -7.414 1.00 23.22 C ATOM 1632 CD GLU A 481 -10.535 -16.940 -6.242 1.00 14.41 C ATOM 1633 OE1 GLU A 481 -11.684 -17.438 -6.313 1.00 54.20 O ATOM 1634 OE2 GLU A 481 -9.812 -17.112 -5.236 1.00 15.31 O ATOM 0 H GLU A 481 -12.105 -12.658 -7.616 1.00 0.20 H new ATOM 0 HA GLU A 481 -11.154 -14.379 -5.511 1.00 62.35 H new ATOM 0 HB2 GLU A 481 -11.840 -15.034 -7.875 1.00 1.30 H new ATOM 0 HB3 GLU A 481 -10.393 -14.242 -8.467 1.00 1.30 H new ATOM 0 HG2 GLU A 481 -10.056 -16.672 -8.331 1.00 23.22 H new ATOM 0 HG3 GLU A 481 -8.967 -15.839 -7.239 1.00 23.22 H new ATOM 1641 N SER A 482 -9.060 -12.171 -6.812 1.00 21.41 N ATOM 1642 CA SER A 482 -7.815 -11.390 -6.562 1.00 12.53 C ATOM 1643 C SER A 482 -7.825 -10.730 -5.165 1.00 41.54 C ATOM 1644 O SER A 482 -6.772 -10.528 -4.554 1.00 35.34 O ATOM 1645 CB SER A 482 -7.645 -10.299 -7.646 1.00 71.12 C ATOM 1646 OG SER A 482 -8.826 -9.534 -7.804 1.00 54.11 O ATOM 0 H SER A 482 -9.617 -11.809 -7.586 1.00 21.41 H new ATOM 0 HA SER A 482 -6.977 -12.086 -6.603 1.00 12.53 H new ATOM 0 HB2 SER A 482 -6.818 -9.642 -7.375 1.00 71.12 H new ATOM 0 HB3 SER A 482 -7.383 -10.766 -8.595 1.00 71.12 H new ATOM 0 HG SER A 482 -8.685 -8.853 -8.494 1.00 54.11 H new ATOM 1652 N LEU A 483 -9.033 -10.379 -4.693 1.00 72.43 N ATOM 1653 CA LEU A 483 -9.247 -9.789 -3.356 1.00 50.23 C ATOM 1654 C LEU A 483 -9.055 -10.842 -2.246 1.00 3.43 C ATOM 1655 O LEU A 483 -8.463 -10.550 -1.210 1.00 63.34 O ATOM 1656 CB LEU A 483 -10.652 -9.147 -3.293 1.00 2.43 C ATOM 1657 CG LEU A 483 -11.021 -8.420 -1.968 1.00 2.34 C ATOM 1658 CD1 LEU A 483 -10.048 -7.262 -1.638 1.00 31.54 C ATOM 1659 CD2 LEU A 483 -12.484 -7.945 -2.004 1.00 43.14 C ATOM 0 H LEU A 483 -9.893 -10.496 -5.228 1.00 72.43 H new ATOM 0 HA LEU A 483 -8.502 -9.012 -3.187 1.00 50.23 H new ATOM 0 HB2 LEU A 483 -10.738 -8.431 -4.111 1.00 2.43 H new ATOM 0 HB3 LEU A 483 -11.392 -9.927 -3.473 1.00 2.43 H new ATOM 0 HG LEU A 483 -10.917 -9.142 -1.158 1.00 2.34 H new ATOM 0 HD11 LEU A 483 -10.350 -6.788 -0.704 1.00 31.54 H new ATOM 0 HD12 LEU A 483 -9.036 -7.655 -1.535 1.00 31.54 H new ATOM 0 HD13 LEU A 483 -10.071 -6.527 -2.442 1.00 31.54 H new ATOM 0 HD21 LEU A 483 -12.725 -7.439 -1.069 1.00 43.14 H new ATOM 0 HD22 LEU A 483 -12.622 -7.255 -2.837 1.00 43.14 H new ATOM 0 HD23 LEU A 483 -13.142 -8.804 -2.132 1.00 43.14 H new ATOM 1671 N LYS A 484 -9.564 -12.066 -2.485 1.00 74.32 N ATOM 1672 CA LYS A 484 -9.329 -13.238 -1.599 1.00 53.23 C ATOM 1673 C LYS A 484 -7.815 -13.530 -1.466 1.00 32.10 C ATOM 1674 O LYS A 484 -7.308 -13.792 -0.367 1.00 33.01 O ATOM 1675 CB LYS A 484 -10.058 -14.480 -2.170 1.00 72.34 C ATOM 1676 CG LYS A 484 -11.593 -14.341 -2.277 1.00 31.31 C ATOM 1677 CD LYS A 484 -12.236 -15.482 -3.095 1.00 51.43 C ATOM 1678 CE LYS A 484 -12.000 -16.875 -2.485 1.00 23.45 C ATOM 1679 NZ LYS A 484 -12.340 -17.955 -3.443 1.00 43.23 N ATOM 0 H LYS A 484 -10.149 -12.277 -3.294 1.00 74.32 H new ATOM 0 HA LYS A 484 -9.723 -13.009 -0.609 1.00 53.23 H new ATOM 0 HB2 LYS A 484 -9.657 -14.695 -3.161 1.00 72.34 H new ATOM 0 HB3 LYS A 484 -9.829 -15.339 -1.540 1.00 72.34 H new ATOM 0 HG2 LYS A 484 -12.024 -14.329 -1.276 1.00 31.31 H new ATOM 0 HG3 LYS A 484 -11.836 -13.385 -2.740 1.00 31.31 H new ATOM 0 HD2 LYS A 484 -13.309 -15.304 -3.173 1.00 51.43 H new ATOM 0 HD3 LYS A 484 -11.835 -15.464 -4.108 1.00 51.43 H new ATOM 0 HE2 LYS A 484 -10.956 -16.969 -2.185 1.00 23.45 H new ATOM 0 HE3 LYS A 484 -12.602 -16.985 -1.583 1.00 23.45 H new ATOM 0 HZ1 LYS A 484 -11.766 -18.797 -3.235 1.00 43.23 H new ATOM 0 HZ2 LYS A 484 -13.349 -18.193 -3.354 1.00 43.23 H new ATOM 0 HZ3 LYS A 484 -12.144 -17.633 -4.412 1.00 43.23 H new ATOM 1693 N GLY A 485 -7.117 -13.469 -2.616 1.00 21.21 N ATOM 1694 CA GLY A 485 -5.658 -13.581 -2.665 1.00 3.44 C ATOM 1695 C GLY A 485 -4.933 -12.456 -1.910 1.00 34.13 C ATOM 1696 O GLY A 485 -3.940 -12.707 -1.239 1.00 74.31 O ATOM 0 H GLY A 485 -7.552 -13.341 -3.530 1.00 21.21 H new ATOM 0 HA2 GLY A 485 -5.361 -14.541 -2.244 1.00 3.44 H new ATOM 0 HA3 GLY A 485 -5.336 -13.576 -3.706 1.00 3.44 H new ATOM 1700 N LEU A 486 -5.462 -11.217 -2.008 1.00 45.04 N ATOM 1701 CA LEU A 486 -4.882 -10.025 -1.329 1.00 34.13 C ATOM 1702 C LEU A 486 -5.046 -10.119 0.215 1.00 22.22 C ATOM 1703 O LEU A 486 -4.158 -9.699 0.970 1.00 60.43 O ATOM 1704 CB LEU A 486 -5.536 -8.725 -1.876 1.00 73.11 C ATOM 1705 CG LEU A 486 -4.908 -7.373 -1.395 1.00 12.03 C ATOM 1706 CD1 LEU A 486 -3.421 -7.258 -1.812 1.00 41.01 C ATOM 1707 CD2 LEU A 486 -5.733 -6.161 -1.896 1.00 1.41 C ATOM 0 H LEU A 486 -6.298 -11.010 -2.555 1.00 45.04 H new ATOM 0 HA LEU A 486 -3.814 -9.996 -1.545 1.00 34.13 H new ATOM 0 HB2 LEU A 486 -5.493 -8.753 -2.965 1.00 73.11 H new ATOM 0 HB3 LEU A 486 -6.590 -8.730 -1.598 1.00 73.11 H new ATOM 0 HG LEU A 486 -4.940 -7.365 -0.306 1.00 12.03 H new ATOM 0 HD11 LEU A 486 -3.017 -6.308 -1.462 1.00 41.01 H new ATOM 0 HD12 LEU A 486 -2.855 -8.078 -1.370 1.00 41.01 H new ATOM 0 HD13 LEU A 486 -3.343 -7.307 -2.898 1.00 41.01 H new ATOM 0 HD21 LEU A 486 -5.272 -5.237 -1.546 1.00 1.41 H new ATOM 0 HD22 LEU A 486 -5.758 -6.164 -2.986 1.00 1.41 H new ATOM 0 HD23 LEU A 486 -6.750 -6.228 -1.509 1.00 1.41 H new ATOM 1719 N TYR A 487 -6.187 -10.692 0.663 1.00 41.35 N ATOM 1720 CA TYR A 487 -6.435 -11.017 2.092 1.00 11.51 C ATOM 1721 C TYR A 487 -5.356 -11.996 2.635 1.00 0.01 C ATOM 1722 O TYR A 487 -4.876 -11.843 3.765 1.00 11.41 O ATOM 1723 CB TYR A 487 -7.859 -11.631 2.279 1.00 54.20 C ATOM 1724 CG TYR A 487 -9.047 -10.652 2.133 1.00 32.33 C ATOM 1725 CD1 TYR A 487 -9.044 -9.419 2.785 1.00 62.54 C ATOM 1726 CD2 TYR A 487 -10.186 -10.971 1.373 1.00 32.41 C ATOM 1727 CE1 TYR A 487 -10.115 -8.546 2.687 1.00 74.34 C ATOM 1728 CE2 TYR A 487 -11.257 -10.103 1.280 1.00 33.53 C ATOM 1729 CZ TYR A 487 -11.217 -8.891 1.934 1.00 44.12 C ATOM 1730 OH TYR A 487 -12.282 -8.020 1.841 1.00 64.43 O ATOM 0 H TYR A 487 -6.961 -10.943 0.048 1.00 41.35 H new ATOM 0 HA TYR A 487 -6.376 -10.089 2.660 1.00 11.51 H new ATOM 0 HB2 TYR A 487 -7.985 -12.434 1.552 1.00 54.20 H new ATOM 0 HB3 TYR A 487 -7.909 -12.086 3.268 1.00 54.20 H new ATOM 0 HD1 TYR A 487 -8.187 -9.139 3.380 1.00 62.54 H new ATOM 0 HD2 TYR A 487 -10.225 -11.915 0.850 1.00 32.41 H new ATOM 0 HE1 TYR A 487 -10.087 -7.596 3.200 1.00 74.34 H new ATOM 0 HE2 TYR A 487 -12.124 -10.374 0.696 1.00 33.53 H new ATOM 0 HH TYR A 487 -12.977 -8.413 1.272 1.00 64.43 H new ATOM 1740 N ARG A 488 -4.971 -12.983 1.796 1.00 33.40 N ATOM 1741 CA ARG A 488 -3.905 -13.960 2.131 1.00 0.15 C ATOM 1742 C ARG A 488 -2.509 -13.291 2.184 1.00 34.52 C ATOM 1743 O ARG A 488 -1.787 -13.458 3.161 1.00 65.14 O ATOM 1744 CB ARG A 488 -3.878 -15.130 1.108 1.00 52.04 C ATOM 1745 CG ARG A 488 -5.167 -15.971 1.049 1.00 40.44 C ATOM 1746 CD ARG A 488 -5.035 -17.199 0.125 1.00 55.43 C ATOM 1747 NE ARG A 488 -3.959 -18.114 0.563 1.00 70.31 N ATOM 1748 CZ ARG A 488 -3.870 -19.398 0.273 1.00 34.32 C ATOM 1749 NH1 ARG A 488 -4.743 -19.985 -0.479 1.00 63.13 N ATOM 1750 NH2 ARG A 488 -2.880 -20.080 0.745 1.00 72.12 N ATOM 0 H ARG A 488 -5.385 -13.126 0.875 1.00 33.40 H new ATOM 0 HA ARG A 488 -4.138 -14.353 3.121 1.00 0.15 H new ATOM 0 HB2 ARG A 488 -3.682 -14.722 0.116 1.00 52.04 H new ATOM 0 HB3 ARG A 488 -3.044 -15.787 1.352 1.00 52.04 H new ATOM 0 HG2 ARG A 488 -5.425 -16.304 2.054 1.00 40.44 H new ATOM 0 HG3 ARG A 488 -5.988 -15.345 0.700 1.00 40.44 H new ATOM 0 HD2 ARG A 488 -5.982 -17.738 0.103 1.00 55.43 H new ATOM 0 HD3 ARG A 488 -4.834 -16.866 -0.893 1.00 55.43 H new ATOM 0 HE ARG A 488 -3.219 -17.717 1.142 1.00 70.31 H new ATOM 0 HH11 ARG A 488 -5.524 -19.454 -0.864 1.00 63.13 H new ATOM 0 HH12 ARG A 488 -4.650 -20.979 -0.687 1.00 63.13 H new ATOM 0 HH21 ARG A 488 -2.181 -19.625 1.333 1.00 72.12 H new ATOM 0 HH22 ARG A 488 -2.797 -21.074 0.530 1.00 72.12 H new ATOM 1764 N ILE A 489 -2.159 -12.523 1.127 1.00 34.21 N ATOM 1765 CA ILE A 489 -0.819 -11.880 0.976 1.00 12.14 C ATOM 1766 C ILE A 489 -0.470 -11.013 2.208 1.00 42.43 C ATOM 1767 O ILE A 489 0.548 -11.230 2.875 1.00 44.23 O ATOM 1768 CB ILE A 489 -0.788 -10.985 -0.331 1.00 40.24 C ATOM 1769 CG1 ILE A 489 -0.908 -11.865 -1.624 1.00 74.15 C ATOM 1770 CG2 ILE A 489 0.468 -10.074 -0.386 1.00 33.32 C ATOM 1771 CD1 ILE A 489 -1.149 -11.085 -2.917 1.00 24.24 C ATOM 0 H ILE A 489 -2.792 -12.327 0.351 1.00 34.21 H new ATOM 0 HA ILE A 489 -0.076 -12.673 0.893 1.00 12.14 H new ATOM 0 HB ILE A 489 -1.657 -10.328 -0.289 1.00 40.24 H new ATOM 0 HG12 ILE A 489 0.006 -12.448 -1.734 1.00 74.15 H new ATOM 0 HG13 ILE A 489 -1.724 -12.574 -1.488 1.00 74.15 H new ATOM 0 HG21 ILE A 489 0.446 -9.479 -1.299 1.00 33.32 H new ATOM 0 HG22 ILE A 489 0.475 -9.411 0.479 1.00 33.32 H new ATOM 0 HG23 ILE A 489 1.366 -10.692 -0.377 1.00 33.32 H new ATOM 0 HD11 ILE A 489 -1.217 -11.780 -3.754 1.00 24.24 H new ATOM 0 HD12 ILE A 489 -2.079 -10.523 -2.835 1.00 24.24 H new ATOM 0 HD13 ILE A 489 -0.322 -10.395 -3.085 1.00 24.24 H new ATOM 1783 N MET A 490 -1.373 -10.084 2.529 1.00 23.22 N ATOM 1784 CA MET A 490 -1.214 -9.171 3.675 1.00 74.23 C ATOM 1785 C MET A 490 -1.352 -9.939 5.021 1.00 41.21 C ATOM 1786 O MET A 490 -0.732 -9.571 6.028 1.00 2.42 O ATOM 1787 CB MET A 490 -2.263 -8.046 3.572 1.00 44.22 C ATOM 1788 CG MET A 490 -2.168 -7.184 2.298 1.00 73.31 C ATOM 1789 SD MET A 490 -0.628 -6.245 2.211 1.00 4.02 S ATOM 1790 CE MET A 490 -0.897 -5.208 0.771 1.00 32.04 C ATOM 0 H MET A 490 -2.236 -9.939 2.005 1.00 23.22 H new ATOM 0 HA MET A 490 -0.215 -8.735 3.651 1.00 74.23 H new ATOM 0 HB2 MET A 490 -3.257 -8.491 3.619 1.00 44.22 H new ATOM 0 HB3 MET A 490 -2.164 -7.396 4.441 1.00 44.22 H new ATOM 0 HG2 MET A 490 -2.248 -7.827 1.421 1.00 73.31 H new ATOM 0 HG3 MET A 490 -3.012 -6.495 2.266 1.00 73.31 H new ATOM 0 HE1 MET A 490 -0.182 -4.385 0.776 1.00 32.04 H new ATOM 0 HE2 MET A 490 -0.762 -5.800 -0.134 1.00 32.04 H new ATOM 0 HE3 MET A 490 -1.911 -4.808 0.795 1.00 32.04 H new ATOM 1800 N GLY A 491 -2.164 -11.022 5.006 1.00 32.20 N ATOM 1801 CA GLY A 491 -2.359 -11.904 6.172 1.00 72.21 C ATOM 1802 C GLY A 491 -1.150 -12.799 6.506 1.00 63.24 C ATOM 1803 O GLY A 491 -1.083 -13.371 7.600 1.00 62.34 O ATOM 0 H GLY A 491 -2.700 -11.305 4.185 1.00 32.20 H new ATOM 0 HA2 GLY A 491 -2.591 -11.289 7.042 1.00 72.21 H new ATOM 0 HA3 GLY A 491 -3.226 -12.539 5.990 1.00 72.21 H new ATOM 1807 N ASN A 492 -0.204 -12.942 5.554 1.00 34.44 N ATOM 1808 CA ASN A 492 1.093 -13.649 5.777 1.00 41.41 C ATOM 1809 C ASN A 492 2.205 -12.681 6.266 1.00 21.54 C ATOM 1810 O ASN A 492 3.381 -13.064 6.334 1.00 10.11 O ATOM 1811 CB ASN A 492 1.539 -14.391 4.480 1.00 35.32 C ATOM 1812 CG ASN A 492 0.878 -15.761 4.324 1.00 64.44 C ATOM 1813 OD1 ASN A 492 1.397 -16.769 4.799 1.00 61.33 O ATOM 1814 ND2 ASN A 492 -0.256 -15.821 3.662 1.00 11.23 N ATOM 0 H ASN A 492 -0.309 -12.575 4.608 1.00 34.44 H new ATOM 0 HA ASN A 492 0.935 -14.384 6.566 1.00 41.41 H new ATOM 0 HB2 ASN A 492 1.298 -13.775 3.613 1.00 35.32 H new ATOM 0 HB3 ASN A 492 2.622 -14.514 4.492 1.00 35.32 H new ATOM 0 HD21 ASN A 492 -0.725 -16.718 3.533 1.00 11.23 H new ATOM 0 HD22 ASN A 492 -0.667 -14.971 3.277 1.00 11.23 H new ATOM 1821 N GLY A 493 1.818 -11.444 6.631 1.00 75.32 N ATOM 1822 CA GLY A 493 2.773 -10.439 7.116 1.00 41.55 C ATOM 1823 C GLY A 493 3.546 -9.752 5.985 1.00 24.01 C ATOM 1824 O GLY A 493 4.759 -9.529 6.091 1.00 70.24 O ATOM 0 H GLY A 493 0.851 -11.120 6.598 1.00 75.32 H new ATOM 0 HA2 GLY A 493 2.237 -9.685 7.692 1.00 41.55 H new ATOM 0 HA3 GLY A 493 3.480 -10.916 7.795 1.00 41.55 H new ATOM 1828 N PHE A 494 2.834 -9.443 4.892 1.00 3.04 N ATOM 1829 CA PHE A 494 3.352 -8.605 3.789 1.00 30.23 C ATOM 1830 C PHE A 494 2.637 -7.241 3.765 1.00 33.45 C ATOM 1831 O PHE A 494 1.684 -6.996 4.519 1.00 52.41 O ATOM 1832 CB PHE A 494 3.192 -9.320 2.413 1.00 63.03 C ATOM 1833 CG PHE A 494 4.103 -10.532 2.211 1.00 44.21 C ATOM 1834 CD1 PHE A 494 3.714 -11.809 2.621 1.00 0.32 C ATOM 1835 CD2 PHE A 494 5.351 -10.393 1.599 1.00 30.35 C ATOM 1836 CE1 PHE A 494 4.540 -12.901 2.430 1.00 53.32 C ATOM 1837 CE2 PHE A 494 6.177 -11.486 1.409 1.00 62.31 C ATOM 1838 CZ PHE A 494 5.771 -12.741 1.826 1.00 15.02 C ATOM 0 H PHE A 494 1.878 -9.766 4.743 1.00 3.04 H new ATOM 0 HA PHE A 494 4.415 -8.443 3.966 1.00 30.23 H new ATOM 0 HB2 PHE A 494 2.156 -9.640 2.304 1.00 63.03 H new ATOM 0 HB3 PHE A 494 3.389 -8.599 1.620 1.00 63.03 H new ATOM 0 HD1 PHE A 494 2.753 -11.946 3.095 1.00 0.32 H new ATOM 0 HD2 PHE A 494 5.676 -9.417 1.269 1.00 30.35 H new ATOM 0 HE1 PHE A 494 4.222 -13.881 2.754 1.00 53.32 H new ATOM 0 HE2 PHE A 494 7.139 -11.360 0.935 1.00 62.31 H new ATOM 0 HZ PHE A 494 6.416 -13.595 1.679 1.00 15.02 H new ATOM 1848 N ALA A 495 3.123 -6.371 2.881 1.00 30.01 N ATOM 1849 CA ALA A 495 2.642 -4.992 2.725 1.00 12.24 C ATOM 1850 C ALA A 495 2.862 -4.521 1.270 1.00 61.31 C ATOM 1851 O ALA A 495 3.523 -5.207 0.480 1.00 41.11 O ATOM 1852 CB ALA A 495 3.372 -4.097 3.718 1.00 20.15 C ATOM 0 H ALA A 495 3.879 -6.607 2.238 1.00 30.01 H new ATOM 0 HA ALA A 495 1.573 -4.940 2.932 1.00 12.24 H new ATOM 0 HB1 ALA A 495 3.021 -3.071 3.609 1.00 20.15 H new ATOM 0 HB2 ALA A 495 3.174 -4.442 4.733 1.00 20.15 H new ATOM 0 HB3 ALA A 495 4.444 -4.136 3.524 1.00 20.15 H new ATOM 1858 N GLY A 496 2.326 -3.338 0.924 1.00 42.32 N ATOM 1859 CA GLY A 496 2.317 -2.869 -0.470 1.00 62.43 C ATOM 1860 C GLY A 496 2.782 -1.422 -0.662 1.00 63.30 C ATOM 1861 O GLY A 496 2.044 -0.485 -0.375 1.00 24.35 O ATOM 0 H GLY A 496 1.896 -2.693 1.587 1.00 42.32 H new ATOM 0 HA2 GLY A 496 2.956 -3.523 -1.063 1.00 62.43 H new ATOM 0 HA3 GLY A 496 1.306 -2.967 -0.865 1.00 62.43 H new ATOM 1865 N CYS A 497 4.012 -1.240 -1.172 1.00 14.42 N ATOM 1866 CA CYS A 497 4.546 0.091 -1.555 1.00 74.10 C ATOM 1867 C CYS A 497 3.864 0.614 -2.843 1.00 31.13 C ATOM 1868 O CYS A 497 4.237 0.230 -3.954 1.00 3.31 O ATOM 1869 CB CYS A 497 6.086 0.020 -1.735 1.00 70.33 C ATOM 1870 SG CYS A 497 7.013 0.105 -0.196 1.00 45.14 S ATOM 0 H CYS A 497 4.667 -2.005 -1.332 1.00 14.42 H new ATOM 0 HA CYS A 497 4.323 0.794 -0.753 1.00 74.10 H new ATOM 0 HB2 CYS A 497 6.338 -0.909 -2.247 1.00 70.33 H new ATOM 0 HB3 CYS A 497 6.403 0.837 -2.383 1.00 70.33 H new ATOM 0 HG CYS A 497 7.606 1.259 -0.110 1.00 45.14 H new ATOM 1876 N VAL A 498 2.843 1.471 -2.673 1.00 35.04 N ATOM 1877 CA VAL A 498 2.089 2.065 -3.795 1.00 53.55 C ATOM 1878 C VAL A 498 2.811 3.328 -4.334 1.00 63.31 C ATOM 1879 O VAL A 498 2.826 4.377 -3.679 1.00 1.15 O ATOM 1880 CB VAL A 498 0.616 2.417 -3.364 1.00 14.12 C ATOM 1881 CG1 VAL A 498 -0.212 2.997 -4.545 1.00 71.13 C ATOM 1882 CG2 VAL A 498 -0.085 1.182 -2.735 1.00 11.32 C ATOM 0 H VAL A 498 2.516 1.773 -1.755 1.00 35.04 H new ATOM 0 HA VAL A 498 2.042 1.325 -4.594 1.00 53.55 H new ATOM 0 HB VAL A 498 0.675 3.197 -2.605 1.00 14.12 H new ATOM 0 HG11 VAL A 498 -1.222 3.226 -4.204 1.00 71.13 H new ATOM 0 HG12 VAL A 498 0.263 3.908 -4.910 1.00 71.13 H new ATOM 0 HG13 VAL A 498 -0.259 2.265 -5.351 1.00 71.13 H new ATOM 0 HG21 VAL A 498 -1.101 1.449 -2.445 1.00 11.32 H new ATOM 0 HG22 VAL A 498 -0.117 0.371 -3.463 1.00 11.32 H new ATOM 0 HG23 VAL A 498 0.470 0.858 -1.855 1.00 11.32 H new ATOM 1892 N HIS A 499 3.421 3.198 -5.525 1.00 1.20 N ATOM 1893 CA HIS A 499 4.193 4.286 -6.172 1.00 43.35 C ATOM 1894 C HIS A 499 3.397 4.945 -7.337 1.00 71.31 C ATOM 1895 O HIS A 499 2.729 4.266 -8.130 1.00 62.33 O ATOM 1896 CB HIS A 499 5.551 3.750 -6.694 1.00 54.05 C ATOM 1897 CG HIS A 499 6.481 3.248 -5.611 1.00 42.14 C ATOM 1898 ND1 HIS A 499 7.343 4.095 -4.953 1.00 30.34 N ATOM 1899 CD2 HIS A 499 6.650 1.995 -5.121 1.00 33.31 C ATOM 1900 CE1 HIS A 499 8.005 3.348 -4.092 1.00 22.23 C ATOM 1901 NE2 HIS A 499 7.627 2.066 -4.159 1.00 53.43 N ATOM 0 H HIS A 499 3.396 2.337 -6.071 1.00 1.20 H new ATOM 0 HA HIS A 499 4.375 5.051 -5.417 1.00 43.35 H new ATOM 0 HB2 HIS A 499 5.362 2.940 -7.398 1.00 54.05 H new ATOM 0 HB3 HIS A 499 6.053 4.543 -7.248 1.00 54.05 H new ATOM 0 HD1 HIS A 499 7.448 5.099 -5.102 1.00 30.34 H new ATOM 0 HD2 HIS A 499 6.116 1.108 -5.429 1.00 33.31 H new ATOM 0 HE1 HIS A 499 8.759 3.724 -3.416 1.00 22.23 H new ATOM 1909 N PHE A 500 3.502 6.281 -7.411 1.00 12.21 N ATOM 1910 CA PHE A 500 2.890 7.132 -8.462 1.00 31.23 C ATOM 1911 C PHE A 500 3.967 7.553 -9.505 1.00 44.35 C ATOM 1912 O PHE A 500 5.163 7.527 -9.188 1.00 64.25 O ATOM 1913 CB PHE A 500 2.268 8.395 -7.786 1.00 2.23 C ATOM 1914 CG PHE A 500 1.055 8.098 -6.891 1.00 50.22 C ATOM 1915 CD1 PHE A 500 1.197 7.400 -5.687 1.00 13.21 C ATOM 1916 CD2 PHE A 500 -0.229 8.508 -7.260 1.00 75.11 C ATOM 1917 CE1 PHE A 500 0.103 7.119 -4.889 1.00 62.01 C ATOM 1918 CE2 PHE A 500 -1.321 8.231 -6.458 1.00 73.41 C ATOM 1919 CZ PHE A 500 -1.157 7.533 -5.275 1.00 43.11 C ATOM 0 H PHE A 500 4.029 6.822 -6.725 1.00 12.21 H new ATOM 0 HA PHE A 500 2.111 6.574 -8.982 1.00 31.23 H new ATOM 0 HB2 PHE A 500 3.035 8.888 -7.188 1.00 2.23 H new ATOM 0 HB3 PHE A 500 1.969 9.099 -8.563 1.00 2.23 H new ATOM 0 HD1 PHE A 500 2.178 7.075 -5.375 1.00 13.21 H new ATOM 0 HD2 PHE A 500 -0.370 9.049 -8.184 1.00 75.11 H new ATOM 0 HE1 PHE A 500 0.234 6.576 -3.965 1.00 62.01 H new ATOM 0 HE2 PHE A 500 -2.305 8.561 -6.756 1.00 73.41 H new ATOM 0 HZ PHE A 500 -2.013 7.312 -4.654 1.00 43.11 H new ATOM 1929 N PRO A 501 3.576 7.953 -10.766 1.00 75.45 N ATOM 1930 CA PRO A 501 4.545 8.424 -11.814 1.00 32.35 C ATOM 1931 C PRO A 501 5.034 9.898 -11.604 1.00 24.32 C ATOM 1932 O PRO A 501 5.126 10.671 -12.566 1.00 0.42 O ATOM 1933 CB PRO A 501 3.710 8.265 -13.113 1.00 71.12 C ATOM 1934 CG PRO A 501 2.300 8.547 -12.678 1.00 61.01 C ATOM 1935 CD PRO A 501 2.175 7.946 -11.291 1.00 70.32 C ATOM 0 HA PRO A 501 5.478 7.861 -11.808 1.00 32.35 H new ATOM 0 HB2 PRO A 501 4.036 8.962 -13.885 1.00 71.12 H new ATOM 0 HB3 PRO A 501 3.806 7.262 -13.529 1.00 71.12 H new ATOM 0 HG2 PRO A 501 2.102 9.619 -12.660 1.00 61.01 H new ATOM 0 HG3 PRO A 501 1.581 8.101 -13.365 1.00 61.01 H new ATOM 0 HD2 PRO A 501 1.509 8.534 -10.660 1.00 70.32 H new ATOM 0 HD3 PRO A 501 1.768 6.936 -11.329 1.00 70.32 H new ATOM 2024 N VAL A 508 1.981 13.456 -2.930 1.00 61.12 N ATOM 2025 CA VAL A 508 1.439 12.160 -3.372 1.00 22.25 C ATOM 2026 C VAL A 508 2.317 11.521 -4.488 1.00 1.24 C ATOM 2027 O VAL A 508 2.168 11.808 -5.679 1.00 1.50 O ATOM 2028 CB VAL A 508 -0.044 12.292 -3.855 1.00 31.30 C ATOM 2029 CG1 VAL A 508 -0.574 10.939 -4.366 1.00 73.42 C ATOM 2030 CG2 VAL A 508 -0.948 12.847 -2.731 1.00 41.21 C ATOM 0 HA VAL A 508 1.458 11.498 -2.506 1.00 22.25 H new ATOM 0 HB VAL A 508 -0.066 13.001 -4.682 1.00 31.30 H new ATOM 0 HG11 VAL A 508 -1.606 11.054 -4.697 1.00 73.42 H new ATOM 0 HG12 VAL A 508 0.039 10.600 -5.201 1.00 73.42 H new ATOM 0 HG13 VAL A 508 -0.530 10.204 -3.562 1.00 73.42 H new ATOM 0 HG21 VAL A 508 -1.972 12.928 -3.095 1.00 41.21 H new ATOM 0 HG22 VAL A 508 -0.919 12.173 -1.875 1.00 41.21 H new ATOM 0 HG23 VAL A 508 -0.591 13.832 -2.430 1.00 41.21 H new ATOM 2040 N ARG A 509 3.258 10.673 -4.063 1.00 15.12 N ATOM 2041 CA ARG A 509 4.162 9.933 -4.969 1.00 61.11 C ATOM 2042 C ARG A 509 4.463 8.520 -4.413 1.00 73.24 C ATOM 2043 O ARG A 509 4.825 7.605 -5.164 1.00 54.21 O ATOM 2044 CB ARG A 509 5.466 10.741 -5.193 1.00 64.12 C ATOM 2045 CG ARG A 509 6.425 10.099 -6.220 1.00 11.22 C ATOM 2046 CD ARG A 509 7.683 10.937 -6.470 1.00 2.31 C ATOM 2047 NE ARG A 509 8.586 10.281 -7.436 1.00 20.23 N ATOM 2048 CZ ARG A 509 9.729 9.686 -7.151 1.00 61.31 C ATOM 2049 NH1 ARG A 509 10.208 9.655 -5.942 1.00 61.11 N ATOM 2050 NH2 ARG A 509 10.390 9.118 -8.102 1.00 60.13 N ATOM 0 H ARG A 509 3.421 10.475 -3.076 1.00 15.12 H new ATOM 0 HA ARG A 509 3.668 9.806 -5.932 1.00 61.11 H new ATOM 0 HB2 ARG A 509 5.208 11.745 -5.529 1.00 64.12 H new ATOM 0 HB3 ARG A 509 5.986 10.847 -4.241 1.00 64.12 H new ATOM 0 HG2 ARG A 509 6.718 9.110 -5.867 1.00 11.22 H new ATOM 0 HG3 ARG A 509 5.897 9.957 -7.163 1.00 11.22 H new ATOM 0 HD2 ARG A 509 7.398 11.920 -6.846 1.00 2.31 H new ATOM 0 HD3 ARG A 509 8.209 11.096 -5.529 1.00 2.31 H new ATOM 0 HE ARG A 509 8.300 10.288 -8.415 1.00 20.23 H new ATOM 0 HH11 ARG A 509 9.697 10.099 -5.179 1.00 61.11 H new ATOM 0 HH12 ARG A 509 11.095 9.186 -5.757 1.00 61.11 H new ATOM 0 HH21 ARG A 509 10.027 9.134 -9.055 1.00 60.13 H new ATOM 0 HH22 ARG A 509 11.275 8.653 -7.901 1.00 60.13 H new ATOM 2064 N VAL A 510 4.306 8.353 -3.092 1.00 11.22 N ATOM 2065 CA VAL A 510 4.451 7.050 -2.428 1.00 74.12 C ATOM 2066 C VAL A 510 3.586 6.988 -1.143 1.00 42.25 C ATOM 2067 O VAL A 510 3.498 7.965 -0.384 1.00 4.52 O ATOM 2068 CB VAL A 510 5.963 6.737 -2.095 1.00 11.32 C ATOM 2069 CG1 VAL A 510 6.563 7.770 -1.105 1.00 72.41 C ATOM 2070 CG2 VAL A 510 6.139 5.277 -1.591 1.00 74.42 C ATOM 0 H VAL A 510 4.075 9.116 -2.455 1.00 11.22 H new ATOM 0 HA VAL A 510 4.097 6.286 -3.120 1.00 74.12 H new ATOM 0 HB VAL A 510 6.528 6.830 -3.023 1.00 11.32 H new ATOM 0 HG11 VAL A 510 7.604 7.518 -0.903 1.00 72.41 H new ATOM 0 HG12 VAL A 510 6.509 8.767 -1.542 1.00 72.41 H new ATOM 0 HG13 VAL A 510 5.998 7.752 -0.173 1.00 72.41 H new ATOM 0 HG21 VAL A 510 7.190 5.093 -1.370 1.00 74.42 H new ATOM 0 HG22 VAL A 510 5.547 5.130 -0.687 1.00 74.42 H new ATOM 0 HG23 VAL A 510 5.803 4.583 -2.361 1.00 74.42 H new ATOM 2080 N LEU A 511 2.921 5.842 -0.949 1.00 25.24 N ATOM 2081 CA LEU A 511 2.197 5.515 0.291 1.00 11.32 C ATOM 2082 C LEU A 511 2.321 4.006 0.572 1.00 40.30 C ATOM 2083 O LEU A 511 2.715 3.232 -0.311 1.00 20.25 O ATOM 2084 CB LEU A 511 0.710 5.992 0.203 1.00 3.32 C ATOM 2085 CG LEU A 511 -0.238 5.292 -0.847 1.00 22.31 C ATOM 2086 CD1 LEU A 511 -0.921 4.026 -0.271 1.00 2.43 C ATOM 2087 CD2 LEU A 511 -1.298 6.272 -1.410 1.00 52.25 C ATOM 0 H LEU A 511 2.869 5.107 -1.654 1.00 25.24 H new ATOM 0 HA LEU A 511 2.642 6.047 1.132 1.00 11.32 H new ATOM 0 HB2 LEU A 511 0.262 5.869 1.189 1.00 3.32 H new ATOM 0 HB3 LEU A 511 0.715 7.060 -0.014 1.00 3.32 H new ATOM 0 HG LEU A 511 0.403 4.976 -1.670 1.00 22.31 H new ATOM 0 HD11 LEU A 511 -1.563 3.581 -1.031 1.00 2.43 H new ATOM 0 HD12 LEU A 511 -0.159 3.306 0.028 1.00 2.43 H new ATOM 0 HD13 LEU A 511 -1.522 4.300 0.596 1.00 2.43 H new ATOM 0 HD21 LEU A 511 -1.930 5.751 -2.129 1.00 52.25 H new ATOM 0 HD22 LEU A 511 -1.913 6.651 -0.594 1.00 52.25 H new ATOM 0 HD23 LEU A 511 -0.798 7.105 -1.904 1.00 52.25 H new ATOM 2099 N MET A 512 1.983 3.579 1.799 1.00 51.12 N ATOM 2100 CA MET A 512 2.108 2.163 2.203 1.00 64.33 C ATOM 2101 C MET A 512 0.722 1.553 2.489 1.00 72.04 C ATOM 2102 O MET A 512 0.068 1.911 3.470 1.00 33.32 O ATOM 2103 CB MET A 512 3.065 2.027 3.436 1.00 75.31 C ATOM 2104 CG MET A 512 4.198 1.027 3.210 1.00 70.14 C ATOM 2105 SD MET A 512 3.580 -0.590 2.712 1.00 41.02 S ATOM 2106 CE MET A 512 5.092 -1.387 2.197 1.00 41.42 C ATOM 0 H MET A 512 1.621 4.191 2.530 1.00 51.12 H new ATOM 0 HA MET A 512 2.548 1.602 1.378 1.00 64.33 H new ATOM 0 HB2 MET A 512 3.491 3.003 3.667 1.00 75.31 H new ATOM 0 HB3 MET A 512 2.485 1.719 4.306 1.00 75.31 H new ATOM 0 HG2 MET A 512 4.872 1.410 2.443 1.00 70.14 H new ATOM 0 HG3 MET A 512 4.781 0.926 4.126 1.00 70.14 H new ATOM 0 HE1 MET A 512 5.079 -1.529 1.116 1.00 41.42 H new ATOM 0 HE2 MET A 512 5.943 -0.764 2.471 1.00 41.42 H new ATOM 0 HE3 MET A 512 5.178 -2.356 2.689 1.00 41.42 H new ATOM 2116 N LEU A 513 0.290 0.626 1.617 1.00 63.40 N ATOM 2117 CA LEU A 513 -0.968 -0.115 1.788 1.00 62.04 C ATOM 2118 C LEU A 513 -0.766 -1.278 2.784 1.00 53.14 C ATOM 2119 O LEU A 513 0.145 -2.104 2.633 1.00 64.15 O ATOM 2120 CB LEU A 513 -1.490 -0.686 0.443 1.00 70.33 C ATOM 2121 CG LEU A 513 -2.895 -1.377 0.532 1.00 30.40 C ATOM 2122 CD1 LEU A 513 -4.001 -0.344 0.818 1.00 53.22 C ATOM 2123 CD2 LEU A 513 -3.215 -2.208 -0.724 1.00 13.22 C ATOM 0 H LEU A 513 0.804 0.370 0.774 1.00 63.40 H new ATOM 0 HA LEU A 513 -1.708 0.587 2.173 1.00 62.04 H new ATOM 0 HB2 LEU A 513 -1.543 0.124 -0.285 1.00 70.33 H new ATOM 0 HB3 LEU A 513 -0.767 -1.409 0.064 1.00 70.33 H new ATOM 0 HG LEU A 513 -2.858 -2.074 1.369 1.00 30.40 H new ATOM 0 HD11 LEU A 513 -4.965 -0.849 0.875 1.00 53.22 H new ATOM 0 HD12 LEU A 513 -3.797 0.155 1.765 1.00 53.22 H new ATOM 0 HD13 LEU A 513 -4.025 0.394 0.017 1.00 53.22 H new ATOM 0 HD21 LEU A 513 -4.198 -2.667 -0.616 1.00 13.22 H new ATOM 0 HD22 LEU A 513 -3.212 -1.559 -1.600 1.00 13.22 H new ATOM 0 HD23 LEU A 513 -2.462 -2.987 -0.847 1.00 13.22 H new ATOM 2135 N LEU A 514 -1.650 -1.329 3.778 1.00 71.11 N ATOM 2136 CA LEU A 514 -1.621 -2.288 4.889 1.00 53.24 C ATOM 2137 C LEU A 514 -3.046 -2.801 5.136 1.00 70.12 C ATOM 2138 O LEU A 514 -3.996 -2.021 5.132 1.00 13.33 O ATOM 2139 CB LEU A 514 -1.081 -1.581 6.166 1.00 3.42 C ATOM 2140 CG LEU A 514 0.425 -1.170 6.141 1.00 23.21 C ATOM 2141 CD1 LEU A 514 0.790 -0.322 7.369 1.00 74.14 C ATOM 2142 CD2 LEU A 514 1.338 -2.407 6.039 1.00 20.50 C ATOM 0 H LEU A 514 -2.436 -0.682 3.837 1.00 71.11 H new ATOM 0 HA LEU A 514 -0.969 -3.127 4.645 1.00 53.24 H new ATOM 0 HB2 LEU A 514 -1.678 -0.686 6.340 1.00 3.42 H new ATOM 0 HB3 LEU A 514 -1.242 -2.242 7.018 1.00 3.42 H new ATOM 0 HG LEU A 514 0.585 -0.560 5.252 1.00 23.21 H new ATOM 0 HD11 LEU A 514 1.845 -0.051 7.324 1.00 74.14 H new ATOM 0 HD12 LEU A 514 0.183 0.583 7.379 1.00 74.14 H new ATOM 0 HD13 LEU A 514 0.602 -0.896 8.276 1.00 74.14 H new ATOM 0 HD21 LEU A 514 2.381 -2.089 6.024 1.00 20.50 H new ATOM 0 HD22 LEU A 514 1.169 -3.056 6.898 1.00 20.50 H new ATOM 0 HD23 LEU A 514 1.111 -2.952 5.123 1.00 20.50 H new ATOM 2154 N TYR A 515 -3.200 -4.107 5.348 1.00 64.21 N ATOM 2155 CA TYR A 515 -4.491 -4.693 5.740 1.00 73.44 C ATOM 2156 C TYR A 515 -4.603 -4.708 7.279 1.00 73.24 C ATOM 2157 O TYR A 515 -3.762 -5.292 7.966 1.00 33.33 O ATOM 2158 CB TYR A 515 -4.636 -6.108 5.141 1.00 21.44 C ATOM 2159 CG TYR A 515 -5.947 -6.843 5.457 1.00 70.43 C ATOM 2160 CD1 TYR A 515 -7.176 -6.170 5.479 1.00 51.15 C ATOM 2161 CD2 TYR A 515 -5.951 -8.217 5.720 1.00 12.54 C ATOM 2162 CE1 TYR A 515 -8.353 -6.843 5.752 1.00 51.14 C ATOM 2163 CE2 TYR A 515 -7.121 -8.889 5.994 1.00 21.23 C ATOM 2164 CZ TYR A 515 -8.318 -8.202 6.013 1.00 52.45 C ATOM 2165 OH TYR A 515 -9.481 -8.886 6.283 1.00 33.13 O ATOM 0 H TYR A 515 -2.445 -4.787 5.255 1.00 64.21 H new ATOM 0 HA TYR A 515 -5.307 -4.087 5.347 1.00 73.44 H new ATOM 0 HB2 TYR A 515 -4.536 -6.034 4.058 1.00 21.44 H new ATOM 0 HB3 TYR A 515 -3.806 -6.718 5.497 1.00 21.44 H new ATOM 0 HD1 TYR A 515 -7.204 -5.109 5.280 1.00 51.15 H new ATOM 0 HD2 TYR A 515 -5.018 -8.761 5.708 1.00 12.54 H new ATOM 0 HE1 TYR A 515 -9.293 -6.312 5.761 1.00 51.14 H new ATOM 0 HE2 TYR A 515 -7.102 -9.950 6.193 1.00 21.23 H new ATOM 0 HH TYR A 515 -9.275 -9.831 6.442 1.00 33.13 H new ATOM 2175 N SER A 516 -5.657 -4.047 7.787 1.00 40.53 N ATOM 2176 CA SER A 516 -5.941 -3.923 9.232 1.00 13.11 C ATOM 2177 C SER A 516 -6.243 -5.283 9.897 1.00 73.44 C ATOM 2178 O SER A 516 -5.912 -5.477 11.072 1.00 23.30 O ATOM 2179 CB SER A 516 -7.143 -2.988 9.438 1.00 3.54 C ATOM 2180 OG SER A 516 -7.502 -2.877 10.807 1.00 74.21 O ATOM 0 H SER A 516 -6.346 -3.577 7.200 1.00 40.53 H new ATOM 0 HA SER A 516 -5.046 -3.517 9.703 1.00 13.11 H new ATOM 0 HB2 SER A 516 -6.905 -2.000 9.044 1.00 3.54 H new ATOM 0 HB3 SER A 516 -7.994 -3.361 8.869 1.00 3.54 H new ATOM 0 HG SER A 516 -7.428 -1.942 11.090 1.00 74.21 H new ATOM 2186 N SER A 517 -6.893 -6.181 9.114 1.00 14.34 N ATOM 2187 CA SER A 517 -7.390 -7.520 9.540 1.00 43.43 C ATOM 2188 C SER A 517 -8.536 -7.421 10.589 1.00 75.53 C ATOM 2189 O SER A 517 -9.672 -7.831 10.309 1.00 31.31 O ATOM 2190 CB SER A 517 -6.255 -8.486 10.006 1.00 20.44 C ATOM 2191 OG SER A 517 -5.668 -8.106 11.242 1.00 74.43 O ATOM 0 H SER A 517 -7.094 -5.988 8.133 1.00 14.34 H new ATOM 0 HA SER A 517 -7.814 -7.969 8.642 1.00 43.43 H new ATOM 0 HB2 SER A 517 -6.660 -9.494 10.098 1.00 20.44 H new ATOM 0 HB3 SER A 517 -5.481 -8.523 9.240 1.00 20.44 H new ATOM 0 HG SER A 517 -5.378 -7.171 11.193 1.00 74.43 H new ATOM 2197 N LYS A 518 -8.227 -6.860 11.779 1.00 1.42 N ATOM 2198 CA LYS A 518 -9.202 -6.621 12.873 1.00 64.33 C ATOM 2199 C LYS A 518 -10.394 -5.737 12.387 1.00 72.32 C ATOM 2200 O LYS A 518 -11.558 -6.132 12.511 1.00 21.11 O ATOM 2201 CB LYS A 518 -8.441 -5.969 14.083 1.00 34.43 C ATOM 2202 CG LYS A 518 -9.132 -6.050 15.478 1.00 11.53 C ATOM 2203 CD LYS A 518 -10.363 -5.119 15.635 1.00 24.44 C ATOM 2204 CE LYS A 518 -10.946 -5.137 17.057 1.00 74.25 C ATOM 2205 NZ LYS A 518 -9.995 -4.591 18.063 1.00 33.00 N ATOM 0 H LYS A 518 -7.282 -6.556 12.012 1.00 1.42 H new ATOM 0 HA LYS A 518 -9.638 -7.567 13.194 1.00 64.33 H new ATOM 0 HB2 LYS A 518 -7.462 -6.441 14.162 1.00 34.43 H new ATOM 0 HB3 LYS A 518 -8.270 -4.918 13.850 1.00 34.43 H new ATOM 0 HG2 LYS A 518 -9.444 -7.079 15.657 1.00 11.53 H new ATOM 0 HG3 LYS A 518 -8.402 -5.800 16.247 1.00 11.53 H new ATOM 0 HD2 LYS A 518 -10.077 -4.099 15.378 1.00 24.44 H new ATOM 0 HD3 LYS A 518 -11.135 -5.422 14.927 1.00 24.44 H new ATOM 0 HE2 LYS A 518 -11.867 -4.555 17.077 1.00 74.25 H new ATOM 0 HE3 LYS A 518 -11.209 -6.160 17.327 1.00 74.25 H new ATOM 0 HZ1 LYS A 518 -10.485 -4.465 18.972 1.00 33.00 H new ATOM 0 HZ2 LYS A 518 -9.202 -5.253 18.186 1.00 33.00 H new ATOM 0 HZ3 LYS A 518 -9.632 -3.673 17.735 1.00 33.00 H new ATOM 2219 N LYS A 519 -10.089 -4.548 11.826 1.00 23.43 N ATOM 2220 CA LYS A 519 -11.131 -3.607 11.317 1.00 75.33 C ATOM 2221 C LYS A 519 -11.692 -4.013 9.928 1.00 31.10 C ATOM 2222 O LYS A 519 -12.687 -3.429 9.488 1.00 12.33 O ATOM 2223 CB LYS A 519 -10.575 -2.160 11.227 1.00 13.34 C ATOM 2224 CG LYS A 519 -10.184 -1.516 12.580 1.00 40.13 C ATOM 2225 CD LYS A 519 -9.553 -0.111 12.391 1.00 33.54 C ATOM 2226 CE LYS A 519 -9.282 0.615 13.725 1.00 70.24 C ATOM 2227 NZ LYS A 519 -10.545 0.957 14.437 1.00 55.43 N ATOM 0 H LYS A 519 -9.134 -4.210 11.710 1.00 23.43 H new ATOM 0 HA LYS A 519 -11.948 -3.654 12.037 1.00 75.33 H new ATOM 0 HB2 LYS A 519 -9.699 -2.165 10.579 1.00 13.34 H new ATOM 0 HB3 LYS A 519 -11.323 -1.530 10.746 1.00 13.34 H new ATOM 0 HG2 LYS A 519 -11.068 -1.435 13.212 1.00 40.13 H new ATOM 0 HG3 LYS A 519 -9.478 -2.164 13.100 1.00 40.13 H new ATOM 0 HD2 LYS A 519 -8.617 -0.211 11.842 1.00 33.54 H new ATOM 0 HD3 LYS A 519 -10.218 0.500 11.780 1.00 33.54 H new ATOM 0 HE2 LYS A 519 -8.665 -0.017 14.364 1.00 70.24 H new ATOM 0 HE3 LYS A 519 -8.715 1.526 13.534 1.00 70.24 H new ATOM 0 HZ1 LYS A 519 -10.329 1.560 15.257 1.00 55.43 H new ATOM 0 HZ2 LYS A 519 -11.181 1.466 13.791 1.00 55.43 H new ATOM 0 HZ3 LYS A 519 -11.008 0.084 14.762 1.00 55.43 H new ATOM 2241 N LYS A 520 -11.021 -4.978 9.243 1.00 62.45 N ATOM 2242 CA LYS A 520 -11.359 -5.414 7.848 1.00 41.43 C ATOM 2243 C LYS A 520 -11.034 -4.333 6.768 1.00 40.14 C ATOM 2244 O LYS A 520 -11.268 -4.566 5.578 1.00 41.20 O ATOM 2245 CB LYS A 520 -12.859 -5.900 7.729 1.00 23.10 C ATOM 2246 CG LYS A 520 -13.070 -7.431 7.787 1.00 22.12 C ATOM 2247 CD LYS A 520 -12.569 -8.142 6.507 1.00 63.41 C ATOM 2248 CE LYS A 520 -12.840 -9.656 6.524 1.00 13.23 C ATOM 2249 NZ LYS A 520 -12.161 -10.334 7.660 1.00 23.44 N ATOM 0 H LYS A 520 -10.227 -5.481 9.639 1.00 62.45 H new ATOM 0 HA LYS A 520 -10.710 -6.265 7.642 1.00 41.43 H new ATOM 0 HB2 LYS A 520 -13.436 -5.441 8.532 1.00 23.10 H new ATOM 0 HB3 LYS A 520 -13.269 -5.530 6.789 1.00 23.10 H new ATOM 0 HG2 LYS A 520 -12.546 -7.835 8.653 1.00 22.12 H new ATOM 0 HG3 LYS A 520 -14.130 -7.644 7.927 1.00 22.12 H new ATOM 0 HD2 LYS A 520 -13.055 -7.700 5.637 1.00 63.41 H new ATOM 0 HD3 LYS A 520 -11.498 -7.970 6.396 1.00 63.41 H new ATOM 0 HE2 LYS A 520 -13.914 -9.831 6.588 1.00 13.23 H new ATOM 0 HE3 LYS A 520 -12.501 -10.095 5.586 1.00 13.23 H new ATOM 0 HZ1 LYS A 520 -12.286 -11.363 7.575 1.00 23.44 H new ATOM 0 HZ2 LYS A 520 -11.146 -10.106 7.644 1.00 23.44 H new ATOM 0 HZ3 LYS A 520 -12.575 -10.008 8.557 1.00 23.44 H new ATOM 2263 N ILE A 521 -10.483 -3.171 7.182 1.00 40.30 N ATOM 2264 CA ILE A 521 -10.165 -2.055 6.254 1.00 72.40 C ATOM 2265 C ILE A 521 -8.743 -2.214 5.674 1.00 72.12 C ATOM 2266 O ILE A 521 -7.920 -2.965 6.210 1.00 1.31 O ATOM 2267 CB ILE A 521 -10.301 -0.640 6.961 1.00 53.23 C ATOM 2268 CG1 ILE A 521 -9.097 -0.343 7.920 1.00 62.10 C ATOM 2269 CG2 ILE A 521 -11.643 -0.546 7.730 1.00 24.24 C ATOM 2270 CD1 ILE A 521 -9.104 1.033 8.568 1.00 51.31 C ATOM 0 H ILE A 521 -10.247 -2.978 8.155 1.00 40.30 H new ATOM 0 HA ILE A 521 -10.891 -2.098 5.442 1.00 72.40 H new ATOM 0 HB ILE A 521 -10.286 0.118 6.178 1.00 53.23 H new ATOM 0 HG12 ILE A 521 -9.087 -1.097 8.707 1.00 62.10 H new ATOM 0 HG13 ILE A 521 -8.170 -0.457 7.358 1.00 62.10 H new ATOM 0 HG21 ILE A 521 -11.720 0.430 8.209 1.00 24.24 H new ATOM 0 HG22 ILE A 521 -12.471 -0.675 7.033 1.00 24.24 H new ATOM 0 HG23 ILE A 521 -11.683 -1.327 8.490 1.00 24.24 H new ATOM 0 HD11 ILE A 521 -8.230 1.137 9.211 1.00 51.31 H new ATOM 0 HD12 ILE A 521 -9.078 1.800 7.794 1.00 51.31 H new ATOM 0 HD13 ILE A 521 -10.009 1.150 9.164 1.00 51.31 H new ATOM 2282 N PHE A 522 -8.460 -1.513 4.569 1.00 0.04 N ATOM 2283 CA PHE A 522 -7.098 -1.410 4.012 1.00 52.00 C ATOM 2284 C PHE A 522 -6.521 -0.003 4.298 1.00 22.21 C ATOM 2285 O PHE A 522 -6.793 0.961 3.583 1.00 42.31 O ATOM 2286 CB PHE A 522 -7.105 -1.749 2.503 1.00 55.21 C ATOM 2287 CG PHE A 522 -7.380 -3.228 2.209 1.00 40.35 C ATOM 2288 CD1 PHE A 522 -8.684 -3.726 2.155 1.00 32.33 C ATOM 2289 CD2 PHE A 522 -6.327 -4.122 1.989 1.00 24.41 C ATOM 2290 CE1 PHE A 522 -8.927 -5.064 1.887 1.00 51.31 C ATOM 2291 CE2 PHE A 522 -6.572 -5.458 1.720 1.00 63.32 C ATOM 2292 CZ PHE A 522 -7.869 -5.928 1.669 1.00 53.44 C ATOM 0 H PHE A 522 -9.163 -1.002 4.035 1.00 0.04 H new ATOM 0 HA PHE A 522 -6.447 -2.138 4.497 1.00 52.00 H new ATOM 0 HB2 PHE A 522 -7.861 -1.141 2.006 1.00 55.21 H new ATOM 0 HB3 PHE A 522 -6.142 -1.474 2.073 1.00 55.21 H new ATOM 0 HD1 PHE A 522 -9.516 -3.058 2.325 1.00 32.33 H new ATOM 0 HD2 PHE A 522 -5.308 -3.765 2.030 1.00 24.41 H new ATOM 0 HE1 PHE A 522 -9.942 -5.432 1.848 1.00 51.31 H new ATOM 0 HE2 PHE A 522 -5.747 -6.134 1.550 1.00 63.32 H new ATOM 0 HZ PHE A 522 -8.058 -6.970 1.459 1.00 53.44 H new ATOM 2302 N MET A 523 -5.745 0.087 5.388 1.00 13.34 N ATOM 2303 CA MET A 523 -5.115 1.350 5.856 1.00 13.21 C ATOM 2304 C MET A 523 -3.894 1.744 4.974 1.00 54.23 C ATOM 2305 O MET A 523 -2.979 0.952 4.771 1.00 12.42 O ATOM 2306 CB MET A 523 -4.719 1.244 7.372 1.00 31.04 C ATOM 2307 CG MET A 523 -4.170 -0.114 7.830 1.00 52.33 C ATOM 2308 SD MET A 523 -3.798 -0.167 9.601 1.00 43.22 S ATOM 2309 CE MET A 523 -5.402 0.199 10.333 1.00 41.24 C ATOM 0 H MET A 523 -5.530 -0.715 5.980 1.00 13.34 H new ATOM 0 HA MET A 523 -5.851 2.148 5.755 1.00 13.21 H new ATOM 0 HB2 MET A 523 -3.971 2.007 7.586 1.00 31.04 H new ATOM 0 HB3 MET A 523 -5.596 1.481 7.974 1.00 31.04 H new ATOM 0 HG2 MET A 523 -4.896 -0.892 7.594 1.00 52.33 H new ATOM 0 HG3 MET A 523 -3.265 -0.342 7.267 1.00 52.33 H new ATOM 0 HE1 MET A 523 -5.600 -0.501 11.145 1.00 41.24 H new ATOM 0 HE2 MET A 523 -5.400 1.217 10.724 1.00 41.24 H new ATOM 0 HE3 MET A 523 -6.179 0.103 9.574 1.00 41.24 H new ATOM 2319 N GLY A 524 -3.897 3.003 4.503 1.00 74.44 N ATOM 2320 CA GLY A 524 -2.912 3.513 3.535 1.00 43.13 C ATOM 2321 C GLY A 524 -2.169 4.736 4.066 1.00 12.53 C ATOM 2322 O GLY A 524 -2.690 5.854 4.039 1.00 20.23 O ATOM 0 H GLY A 524 -4.587 3.699 4.785 1.00 74.44 H new ATOM 0 HA2 GLY A 524 -2.195 2.727 3.299 1.00 43.13 H new ATOM 0 HA3 GLY A 524 -3.418 3.772 2.605 1.00 43.13 H new ATOM 2326 N LEU A 525 -0.949 4.514 4.566 1.00 5.24 N ATOM 2327 CA LEU A 525 -0.123 5.567 5.185 1.00 54.15 C ATOM 2328 C LEU A 525 0.588 6.434 4.127 1.00 50.54 C ATOM 2329 O LEU A 525 1.539 5.982 3.490 1.00 45.11 O ATOM 2330 CB LEU A 525 0.898 4.898 6.137 1.00 33.24 C ATOM 2331 CG LEU A 525 0.261 4.237 7.403 1.00 71.30 C ATOM 2332 CD1 LEU A 525 1.195 3.207 8.036 1.00 40.12 C ATOM 2333 CD2 LEU A 525 -0.142 5.309 8.437 1.00 71.44 C ATOM 0 H LEU A 525 -0.501 3.598 4.555 1.00 5.24 H new ATOM 0 HA LEU A 525 -0.768 6.239 5.750 1.00 54.15 H new ATOM 0 HB2 LEU A 525 1.449 4.138 5.583 1.00 33.24 H new ATOM 0 HB3 LEU A 525 1.622 5.647 6.458 1.00 33.24 H new ATOM 0 HG LEU A 525 -0.637 3.712 7.077 1.00 71.30 H new ATOM 0 HD11 LEU A 525 0.715 2.771 8.912 1.00 40.12 H new ATOM 0 HD12 LEU A 525 1.413 2.421 7.313 1.00 40.12 H new ATOM 0 HD13 LEU A 525 2.124 3.693 8.335 1.00 40.12 H new ATOM 0 HD21 LEU A 525 -0.583 4.826 9.309 1.00 71.44 H new ATOM 0 HD22 LEU A 525 0.741 5.871 8.741 1.00 71.44 H new ATOM 0 HD23 LEU A 525 -0.869 5.988 7.992 1.00 71.44 H new ATOM 2345 N ILE A 526 0.114 7.682 3.958 1.00 4.05 N ATOM 2346 CA ILE A 526 0.749 8.681 3.072 1.00 34.54 C ATOM 2347 C ILE A 526 1.717 9.559 3.908 1.00 1.00 C ATOM 2348 O ILE A 526 1.246 10.404 4.688 1.00 40.14 O ATOM 2349 CB ILE A 526 -0.319 9.606 2.359 1.00 62.10 C ATOM 2350 CG1 ILE A 526 -1.432 8.747 1.672 1.00 73.41 C ATOM 2351 CG2 ILE A 526 0.365 10.559 1.334 1.00 72.35 C ATOM 2352 CD1 ILE A 526 -2.543 9.545 1.003 1.00 44.23 C ATOM 0 H ILE A 526 -0.720 8.029 4.431 1.00 4.05 H new ATOM 0 HA ILE A 526 1.292 8.144 2.294 1.00 34.54 H new ATOM 0 HB ILE A 526 -0.794 10.222 3.122 1.00 62.10 H new ATOM 0 HG12 ILE A 526 -0.965 8.106 0.924 1.00 73.41 H new ATOM 0 HG13 ILE A 526 -1.877 8.091 2.420 1.00 73.41 H new ATOM 0 HG21 ILE A 526 -0.391 11.184 0.858 1.00 72.35 H new ATOM 0 HG22 ILE A 526 1.086 11.192 1.851 1.00 72.35 H new ATOM 0 HG23 ILE A 526 0.879 9.969 0.575 1.00 72.35 H new ATOM 0 HD11 ILE A 526 -3.264 8.861 0.556 1.00 44.23 H new ATOM 0 HD12 ILE A 526 -3.044 10.166 1.746 1.00 44.23 H new ATOM 0 HD13 ILE A 526 -2.117 10.181 0.227 1.00 44.23 H new ATOM 2364 N PRO A 527 3.077 9.346 3.809 1.00 53.13 N ATOM 2365 CA PRO A 527 4.072 10.117 4.603 1.00 71.53 C ATOM 2366 C PRO A 527 4.058 11.639 4.328 1.00 52.42 C ATOM 2367 O PRO A 527 3.688 12.088 3.245 1.00 21.31 O ATOM 2368 CB PRO A 527 5.443 9.484 4.206 1.00 63.12 C ATOM 2369 CG PRO A 527 5.089 8.138 3.645 1.00 23.34 C ATOM 2370 CD PRO A 527 3.751 8.328 2.957 1.00 73.34 C ATOM 0 HA PRO A 527 3.851 10.050 5.668 1.00 71.53 H new ATOM 0 HB2 PRO A 527 5.964 10.096 3.470 1.00 63.12 H new ATOM 0 HB3 PRO A 527 6.103 9.393 5.069 1.00 63.12 H new ATOM 0 HG2 PRO A 527 5.847 7.794 2.942 1.00 23.34 H new ATOM 0 HG3 PRO A 527 5.022 7.389 4.434 1.00 23.34 H new ATOM 0 HD2 PRO A 527 3.871 8.676 1.931 1.00 73.34 H new ATOM 0 HD3 PRO A 527 3.184 7.398 2.914 1.00 73.34 H new ATOM 2378 N TYR A 528 4.472 12.419 5.344 1.00 70.33 N ATOM 2379 CA TYR A 528 4.700 13.883 5.213 1.00 62.12 C ATOM 2380 C TYR A 528 6.186 14.173 4.890 1.00 0.01 C ATOM 2381 O TYR A 528 6.716 15.256 5.170 1.00 62.52 O ATOM 2382 CB TYR A 528 4.270 14.585 6.528 1.00 73.22 C ATOM 2383 CG TYR A 528 2.804 14.356 6.923 1.00 22.41 C ATOM 2384 CD1 TYR A 528 1.814 14.174 5.951 1.00 12.40 C ATOM 2385 CD2 TYR A 528 2.407 14.352 8.260 1.00 34.32 C ATOM 2386 CE1 TYR A 528 0.488 14.007 6.300 1.00 40.31 C ATOM 2387 CE2 TYR A 528 1.084 14.178 8.613 1.00 25.02 C ATOM 2388 CZ TYR A 528 0.128 14.006 7.631 1.00 4.31 C ATOM 2389 OH TYR A 528 -1.195 13.849 7.985 1.00 23.04 O ATOM 0 H TYR A 528 4.659 12.059 6.280 1.00 70.33 H new ATOM 0 HA TYR A 528 4.101 14.273 4.390 1.00 62.12 H new ATOM 0 HB2 TYR A 528 4.910 14.235 7.338 1.00 73.22 H new ATOM 0 HB3 TYR A 528 4.442 15.656 6.426 1.00 73.22 H new ATOM 0 HD1 TYR A 528 2.092 14.164 4.907 1.00 12.40 H new ATOM 0 HD2 TYR A 528 3.148 14.488 9.033 1.00 34.32 H new ATOM 0 HE1 TYR A 528 -0.263 13.878 5.534 1.00 40.31 H new ATOM 0 HE2 TYR A 528 0.797 14.176 9.654 1.00 25.02 H new ATOM 0 HH TYR A 528 -1.277 13.870 8.961 1.00 23.04 H new ATOM 2399 N ASP A 529 6.820 13.194 4.248 1.00 5.04 N ATOM 2400 CA ASP A 529 8.273 13.157 4.020 1.00 33.22 C ATOM 2401 C ASP A 529 8.606 12.815 2.535 1.00 23.41 C ATOM 2402 O ASP A 529 9.180 13.648 1.822 1.00 2.11 O ATOM 2403 CB ASP A 529 8.880 12.125 5.009 1.00 52.14 C ATOM 2404 CG ASP A 529 10.363 11.833 4.748 1.00 62.14 C ATOM 2405 OD1 ASP A 529 11.230 12.619 5.178 1.00 24.34 O ATOM 2406 OD2 ASP A 529 10.655 10.834 4.078 1.00 51.24 O ATOM 0 H ASP A 529 6.333 12.385 3.862 1.00 5.04 H new ATOM 0 HA ASP A 529 8.711 14.138 4.203 1.00 33.22 H new ATOM 0 HB2 ASP A 529 8.764 12.496 6.027 1.00 52.14 H new ATOM 0 HB3 ASP A 529 8.317 11.194 4.943 1.00 52.14 H new ATOM 2411 N GLN A 530 8.245 11.575 2.109 1.00 52.44 N ATOM 2412 CA GLN A 530 8.519 11.024 0.746 1.00 71.42 C ATOM 2413 C GLN A 530 10.019 10.717 0.491 1.00 10.20 C ATOM 2414 O GLN A 530 10.373 9.563 0.334 1.00 71.11 O ATOM 2415 CB GLN A 530 7.951 11.923 -0.400 1.00 71.14 C ATOM 2416 CG GLN A 530 6.463 11.720 -0.735 1.00 55.10 C ATOM 2417 CD GLN A 530 5.514 11.872 0.454 1.00 41.33 C ATOM 2418 OE1 GLN A 530 5.113 12.977 0.805 1.00 53.11 O ATOM 2419 NE2 GLN A 530 5.095 10.764 1.038 1.00 12.12 N ATOM 0 H GLN A 530 7.748 10.917 2.709 1.00 52.44 H new ATOM 0 HA GLN A 530 7.984 10.074 0.728 1.00 71.42 H new ATOM 0 HB2 GLN A 530 8.103 12.967 -0.126 1.00 71.14 H new ATOM 0 HB3 GLN A 530 8.535 11.741 -1.302 1.00 71.14 H new ATOM 0 HG2 GLN A 530 6.177 12.437 -1.505 1.00 55.10 H new ATOM 0 HG3 GLN A 530 6.333 10.725 -1.161 1.00 55.10 H new ATOM 0 HE21 GLN A 530 5.446 9.859 0.725 1.00 12.12 H new ATOM 0 HE22 GLN A 530 4.421 10.814 1.802 1.00 12.12 H new ATOM 2428 N SER A 531 10.877 11.755 0.422 1.00 15.23 N ATOM 2429 CA SER A 531 12.310 11.614 0.016 1.00 43.13 C ATOM 2430 C SER A 531 13.097 10.605 0.893 1.00 75.34 C ATOM 2431 O SER A 531 13.803 9.736 0.368 1.00 5.23 O ATOM 2432 CB SER A 531 13.010 12.994 0.038 1.00 52.11 C ATOM 2433 OG SER A 531 12.355 13.928 -0.813 1.00 62.30 O ATOM 0 H SER A 531 10.608 12.714 0.643 1.00 15.23 H new ATOM 0 HA SER A 531 12.308 11.214 -0.998 1.00 43.13 H new ATOM 0 HB2 SER A 531 13.025 13.379 1.058 1.00 52.11 H new ATOM 0 HB3 SER A 531 14.048 12.881 -0.275 1.00 52.11 H new ATOM 0 HG SER A 531 12.821 14.789 -0.774 1.00 62.30 H new ATOM 2439 N GLY A 532 12.938 10.716 2.226 1.00 41.52 N ATOM 2440 CA GLY A 532 13.587 9.799 3.180 1.00 22.33 C ATOM 2441 C GLY A 532 12.909 8.423 3.253 1.00 71.22 C ATOM 2442 O GLY A 532 13.556 7.420 3.578 1.00 71.11 O ATOM 0 H GLY A 532 12.364 11.435 2.667 1.00 41.52 H new ATOM 0 HA2 GLY A 532 14.631 9.668 2.895 1.00 22.33 H new ATOM 0 HA3 GLY A 532 13.582 10.253 4.171 1.00 22.33 H new ATOM 2446 N PHE A 533 11.589 8.384 2.959 1.00 15.23 N ATOM 2447 CA PHE A 533 10.807 7.132 2.931 1.00 54.24 C ATOM 2448 C PHE A 533 11.257 6.244 1.751 1.00 60.23 C ATOM 2449 O PHE A 533 11.538 5.075 1.936 1.00 5.21 O ATOM 2450 CB PHE A 533 9.280 7.414 2.858 1.00 74.41 C ATOM 2451 CG PHE A 533 8.416 6.143 2.930 1.00 34.41 C ATOM 2452 CD1 PHE A 533 8.224 5.480 4.144 1.00 74.34 C ATOM 2453 CD2 PHE A 533 7.821 5.597 1.788 1.00 42.11 C ATOM 2454 CE1 PHE A 533 7.469 4.322 4.215 1.00 53.31 C ATOM 2455 CE2 PHE A 533 7.062 4.436 1.862 1.00 43.03 C ATOM 2456 CZ PHE A 533 6.891 3.798 3.075 1.00 71.32 C ATOM 0 H PHE A 533 11.041 9.215 2.736 1.00 15.23 H new ATOM 0 HA PHE A 533 10.996 6.598 3.862 1.00 54.24 H new ATOM 0 HB2 PHE A 533 9.002 8.079 3.676 1.00 74.41 H new ATOM 0 HB3 PHE A 533 9.060 7.941 1.930 1.00 74.41 H new ATOM 0 HD1 PHE A 533 8.672 5.877 5.043 1.00 74.34 H new ATOM 0 HD2 PHE A 533 7.954 6.086 0.834 1.00 42.11 H new ATOM 0 HE1 PHE A 533 7.331 3.827 5.165 1.00 53.31 H new ATOM 0 HE2 PHE A 533 6.605 4.032 0.971 1.00 43.03 H new ATOM 0 HZ PHE A 533 6.307 2.891 3.132 1.00 71.32 H new ATOM 2466 N VAL A 534 11.338 6.847 0.554 1.00 32.33 N ATOM 2467 CA VAL A 534 11.802 6.183 -0.687 1.00 2.41 C ATOM 2468 C VAL A 534 13.293 5.777 -0.570 1.00 22.14 C ATOM 2469 O VAL A 534 13.697 4.752 -1.110 1.00 24.44 O ATOM 2470 CB VAL A 534 11.586 7.117 -1.942 1.00 3.31 C ATOM 2471 CG1 VAL A 534 12.158 6.500 -3.243 1.00 11.23 C ATOM 2472 CG2 VAL A 534 10.089 7.466 -2.125 1.00 34.02 C ATOM 0 H VAL A 534 11.080 7.824 0.413 1.00 32.33 H new ATOM 0 HA VAL A 534 11.207 5.280 -0.824 1.00 2.41 H new ATOM 0 HB VAL A 534 12.140 8.035 -1.746 1.00 3.31 H new ATOM 0 HG11 VAL A 534 11.984 7.181 -4.076 1.00 11.23 H new ATOM 0 HG12 VAL A 534 13.229 6.335 -3.127 1.00 11.23 H new ATOM 0 HG13 VAL A 534 11.664 5.549 -3.443 1.00 11.23 H new ATOM 0 HG21 VAL A 534 9.969 8.110 -2.996 1.00 34.02 H new ATOM 0 HG22 VAL A 534 9.517 6.550 -2.270 1.00 34.02 H new ATOM 0 HG23 VAL A 534 9.725 7.984 -1.238 1.00 34.02 H new ATOM 2482 N ASN A 535 14.095 6.595 0.145 1.00 71.01 N ATOM 2483 CA ASN A 535 15.482 6.251 0.527 1.00 51.50 C ATOM 2484 C ASN A 535 15.498 4.950 1.380 1.00 60.32 C ATOM 2485 O ASN A 535 16.310 4.045 1.145 1.00 33.32 O ATOM 2486 CB ASN A 535 16.084 7.451 1.310 1.00 24.12 C ATOM 2487 CG ASN A 535 17.590 7.369 1.591 1.00 15.25 C ATOM 2488 OD1 ASN A 535 18.170 6.302 1.770 1.00 11.30 O ATOM 2489 ND2 ASN A 535 18.235 8.515 1.634 1.00 61.21 N ATOM 0 H ASN A 535 13.799 7.514 0.474 1.00 71.01 H new ATOM 0 HA ASN A 535 16.086 6.063 -0.361 1.00 51.50 H new ATOM 0 HB2 ASN A 535 15.886 8.364 0.749 1.00 24.12 H new ATOM 0 HB3 ASN A 535 15.559 7.541 2.261 1.00 24.12 H new ATOM 0 HD21 ASN A 535 19.238 8.529 1.819 1.00 61.21 H new ATOM 0 HD22 ASN A 535 17.732 9.389 1.482 1.00 61.21 H new ATOM 2496 N GLY A 536 14.569 4.871 2.353 1.00 60.23 N ATOM 2497 CA GLY A 536 14.388 3.668 3.177 1.00 64.52 C ATOM 2498 C GLY A 536 13.913 2.446 2.377 1.00 42.23 C ATOM 2499 O GLY A 536 14.387 1.329 2.595 1.00 53.51 O ATOM 0 H GLY A 536 13.931 5.632 2.585 1.00 60.23 H new ATOM 0 HA2 GLY A 536 15.331 3.427 3.668 1.00 64.52 H new ATOM 0 HA3 GLY A 536 13.665 3.881 3.964 1.00 64.52 H new ATOM 2503 N ILE A 537 12.990 2.678 1.429 1.00 64.21 N ATOM 2504 CA ILE A 537 12.439 1.635 0.533 1.00 32.41 C ATOM 2505 C ILE A 537 13.507 1.156 -0.480 1.00 13.34 C ATOM 2506 O ILE A 537 13.537 -0.018 -0.835 1.00 42.22 O ATOM 2507 CB ILE A 537 11.143 2.161 -0.211 1.00 65.33 C ATOM 2508 CG1 ILE A 537 10.023 2.533 0.813 1.00 63.12 C ATOM 2509 CG2 ILE A 537 10.593 1.154 -1.254 1.00 51.12 C ATOM 2510 CD1 ILE A 537 9.547 1.385 1.691 1.00 1.42 C ATOM 0 H ILE A 537 12.598 3.604 1.257 1.00 64.21 H new ATOM 0 HA ILE A 537 12.152 0.779 1.144 1.00 32.41 H new ATOM 0 HB ILE A 537 11.448 3.055 -0.755 1.00 65.33 H new ATOM 0 HG12 ILE A 537 10.390 3.334 1.455 1.00 63.12 H new ATOM 0 HG13 ILE A 537 9.168 2.930 0.265 1.00 63.12 H new ATOM 0 HG21 ILE A 537 9.705 1.571 -1.730 1.00 51.12 H new ATOM 0 HG22 ILE A 537 11.354 0.962 -2.011 1.00 51.12 H new ATOM 0 HG23 ILE A 537 10.333 0.220 -0.756 1.00 51.12 H new ATOM 0 HD11 ILE A 537 8.770 1.742 2.367 1.00 1.42 H new ATOM 0 HD12 ILE A 537 9.144 0.590 1.064 1.00 1.42 H new ATOM 0 HD13 ILE A 537 10.385 1.000 2.272 1.00 1.42 H new ATOM 2522 N ARG A 538 14.416 2.071 -0.877 1.00 22.51 N ATOM 2523 CA ARG A 538 15.519 1.780 -1.829 1.00 2.10 C ATOM 2524 C ARG A 538 16.514 0.740 -1.239 1.00 53.04 C ATOM 2525 O ARG A 538 17.132 -0.040 -1.975 1.00 13.42 O ATOM 2526 CB ARG A 538 16.237 3.102 -2.223 1.00 34.34 C ATOM 2527 CG ARG A 538 17.324 2.956 -3.316 1.00 54.11 C ATOM 2528 CD ARG A 538 17.895 4.312 -3.776 1.00 23.21 C ATOM 2529 NE ARG A 538 18.968 4.152 -4.780 1.00 23.02 N ATOM 2530 CZ ARG A 538 19.347 5.066 -5.654 1.00 43.44 C ATOM 2531 NH1 ARG A 538 18.778 6.234 -5.717 1.00 24.11 N ATOM 2532 NH2 ARG A 538 20.313 4.793 -6.469 1.00 31.15 N ATOM 0 H ARG A 538 14.409 3.036 -0.548 1.00 22.51 H new ATOM 0 HA ARG A 538 15.097 1.336 -2.731 1.00 2.10 H new ATOM 0 HB2 ARG A 538 15.489 3.815 -2.569 1.00 34.34 H new ATOM 0 HB3 ARG A 538 16.695 3.529 -1.331 1.00 34.34 H new ATOM 0 HG2 ARG A 538 18.135 2.336 -2.935 1.00 54.11 H new ATOM 0 HG3 ARG A 538 16.901 2.435 -4.175 1.00 54.11 H new ATOM 0 HD2 ARG A 538 17.093 4.919 -4.197 1.00 23.21 H new ATOM 0 HD3 ARG A 538 18.284 4.852 -2.913 1.00 23.21 H new ATOM 0 HE ARG A 538 19.458 3.258 -4.799 1.00 23.02 H new ATOM 0 HH11 ARG A 538 18.016 6.465 -5.080 1.00 24.11 H new ATOM 0 HH12 ARG A 538 19.094 6.919 -6.404 1.00 24.11 H new ATOM 0 HH21 ARG A 538 20.770 3.882 -6.431 1.00 31.15 H new ATOM 0 HH22 ARG A 538 20.618 5.488 -7.150 1.00 31.15 H new ATOM 2546 N GLN A 539 16.627 0.727 0.103 1.00 44.11 N ATOM 2547 CA GLN A 539 17.392 -0.301 0.851 1.00 62.31 C ATOM 2548 C GLN A 539 16.671 -1.680 0.813 1.00 61.43 C ATOM 2549 O GLN A 539 17.313 -2.733 0.754 1.00 33.02 O ATOM 2550 CB GLN A 539 17.603 0.171 2.316 1.00 43.20 C ATOM 2551 CG GLN A 539 18.283 1.553 2.436 1.00 11.41 C ATOM 2552 CD GLN A 539 18.510 2.000 3.881 1.00 75.02 C ATOM 2553 OE1 GLN A 539 17.536 2.667 4.465 1.00 21.20 O flip ATOM 2554 NE2 GLN A 539 19.555 1.740 4.469 1.00 23.04 N flip ATOM 0 H GLN A 539 16.192 1.427 0.703 1.00 44.11 H new ATOM 0 HA GLN A 539 18.363 -0.429 0.373 1.00 62.31 H new ATOM 0 HB2 GLN A 539 16.636 0.208 2.818 1.00 43.20 H new ATOM 0 HB3 GLN A 539 18.208 -0.568 2.842 1.00 43.20 H new ATOM 0 HG2 GLN A 539 19.242 1.523 1.919 1.00 11.41 H new ATOM 0 HG3 GLN A 539 17.669 2.296 1.927 1.00 11.41 H new ATOM 0 HE21 GLN A 539 20.293 1.222 3.992 1.00 23.04 H new ATOM 0 HE22 GLN A 539 19.686 2.042 5.434 1.00 23.04 H new ATOM 2563 N VAL A 540 15.325 -1.637 0.809 1.00 0.11 N ATOM 2564 CA VAL A 540 14.448 -2.838 0.812 1.00 14.30 C ATOM 2565 C VAL A 540 14.348 -3.487 -0.603 1.00 73.20 C ATOM 2566 O VAL A 540 14.056 -4.684 -0.727 1.00 34.44 O ATOM 2567 CB VAL A 540 13.009 -2.454 1.343 1.00 61.22 C ATOM 2568 CG1 VAL A 540 12.069 -3.680 1.450 1.00 40.20 C ATOM 2569 CG2 VAL A 540 13.104 -1.708 2.697 1.00 10.51 C ATOM 0 H VAL A 540 14.804 -0.760 0.804 1.00 0.11 H new ATOM 0 HA VAL A 540 14.895 -3.576 1.479 1.00 14.30 H new ATOM 0 HB VAL A 540 12.567 -1.783 0.606 1.00 61.22 H new ATOM 0 HG11 VAL A 540 11.095 -3.360 1.819 1.00 40.20 H new ATOM 0 HG12 VAL A 540 11.953 -4.136 0.467 1.00 40.20 H new ATOM 0 HG13 VAL A 540 12.497 -4.408 2.139 1.00 40.20 H new ATOM 0 HG21 VAL A 540 12.102 -1.454 3.043 1.00 10.51 H new ATOM 0 HG22 VAL A 540 13.590 -2.349 3.432 1.00 10.51 H new ATOM 0 HG23 VAL A 540 13.686 -0.796 2.570 1.00 10.51 H new