USER MOD reduce.3.24.130724 H: found=0, std=0, add=1031, rem=0, adj=28 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= -0.469 USER MOD Set 1.2: A 520 LYS NZ :NH3+ 180:sc= 0.304 (180deg=0) USER MOD Set 2.1: A 516 SER OG : rot 100:sc= 0.0149 USER MOD Set 2.2: A 523 MET CE :methyl -112:sc= -0.294 (180deg=-2.45!) USER MOD Set 3.1: A 497 CYS SG : rot -92:sc= 1.03 USER MOD Set 3.2: A 499 HIS : no HD1:sc= 1.93 K(o=3,f=-11!) USER MOD Set 4.1: A 430 GLN : amide:sc=-0.00676 K(o=-0.56,f=-1.2) USER MOD Set 4.2: A 432 TYR OH : rot -14:sc= 0.0322 USER MOD Set 4.3: A 474 HIS : no HD1:sc= -0.589 X(o=-0.56,f=-0.76) USER MOD Set 5.1: A 409 GLN :FLIP amide:sc= 0.739 F(o=-0.82!,f=1.6) USER MOD Set 5.2: A 424 THR OG1 : rot -38:sc= 0.843 USER MOD Single : A 398 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 403 SER OG : rot 22:sc= 0.0605 USER MOD Single : A 426 SER OG : rot 180:sc= 0 USER MOD Single : A 429 CYS SG : rot 33:sc= -2.23! USER MOD Single : A 434 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 438 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 440 LYS NZ :NH3+ 172:sc=-0.00255 (180deg=-0.066) USER MOD Single : A 441 THR OG1 : rot -120:sc= -0.0258 USER MOD Single : A 443 GLN :FLIP amide:sc= -0.149 F(o=-1.5,f=-0.15) USER MOD Single : A 446 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 447 LYS NZ :NH3+ -142:sc= 0.275 (180deg=-0.398) USER MOD Single : A 450 MET CE :methyl 156:sc= -0.295 (180deg=-1.37) USER MOD Single : A 451 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 455 GLN : amide:sc= -0.122 X(o=-0.12,f=-0.42) USER MOD Single : A 456 GLN : amide:sc= -0.29 K(o=-0.29,f=-3.9!) USER MOD Single : A 459 THR OG1 : rot -89:sc= 1.04 USER MOD Single : A 460 THR OG1 : rot -77:sc= 1.06 USER MOD Single : A 467 ASN : amide:sc= -0.245 X(o=-0.24,f=-0.0019) USER MOD Single : A 468 SER OG : rot -64:sc=-0.00141 USER MOD Single : A 470 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 472 GLN : amide:sc= -1.01 K(o=-1,f=-2!) USER MOD Single : A 476 THR OG1 : rot 180:sc= 0.103 USER MOD Single : A 477 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 478 LYS NZ :NH3+ 175:sc= 0.907 (180deg=0.888) USER MOD Single : A 482 SER OG : rot 180:sc= -0.192 USER MOD Single : A 484 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.012) USER MOD Single : A 487 TYR OH : rot 165:sc= 0 USER MOD Single : A 490 MET CE :methyl 151:sc= -0.149 (180deg=-0.662) USER MOD Single : A 492 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 512 MET CE :methyl -136:sc= -2.96! (180deg=-3.97!) USER MOD Single : A 517 SER OG : rot 180:sc= 0 USER MOD Single : A 518 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 519 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 528 TYR OH : rot 150:sc= -0.475 USER MOD Single : A 530 GLN : amide:sc= -1.65 K(o=-1.6,f=-8.6!) USER MOD Single : A 531 SER OG : rot 180:sc= 0 USER MOD Single : A 535 ASN : amide:sc= 0 X(o=0,f=-0.085) USER MOD Single : A 539 GLN : amide:sc= -0.268 K(o=-0.27,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 250 N LYS A 398 -16.692 9.557 6.039 1.00 71.34 N ATOM 251 CA LYS A 398 -15.611 10.022 5.103 1.00 30.20 C ATOM 252 C LYS A 398 -16.052 10.154 3.625 1.00 15.34 C ATOM 253 O LYS A 398 -16.711 9.271 3.077 1.00 2.32 O ATOM 254 CB LYS A 398 -14.383 9.072 5.182 1.00 22.14 C ATOM 255 CG LYS A 398 -13.753 9.001 6.579 1.00 0.40 C ATOM 256 CD LYS A 398 -12.555 8.035 6.674 1.00 0.40 C ATOM 257 CE LYS A 398 -11.991 7.964 8.106 1.00 42.05 C ATOM 258 NZ LYS A 398 -10.821 7.057 8.210 1.00 74.11 N ATOM 0 HA LYS A 398 -15.354 11.026 5.441 1.00 30.20 H new ATOM 0 HB2 LYS A 398 -14.688 8.071 4.878 1.00 22.14 H new ATOM 0 HB3 LYS A 398 -13.629 9.405 4.469 1.00 22.14 H new ATOM 0 HG2 LYS A 398 -13.427 9.999 6.871 1.00 0.40 H new ATOM 0 HG3 LYS A 398 -14.514 8.692 7.295 1.00 0.40 H new ATOM 0 HD2 LYS A 398 -12.864 7.040 6.355 1.00 0.40 H new ATOM 0 HD3 LYS A 398 -11.771 8.360 5.990 1.00 0.40 H new ATOM 0 HE2 LYS A 398 -11.702 8.964 8.429 1.00 42.05 H new ATOM 0 HE3 LYS A 398 -12.773 7.623 8.785 1.00 42.05 H new ATOM 0 HZ1 LYS A 398 -10.478 7.044 9.192 1.00 74.11 H new ATOM 0 HZ2 LYS A 398 -11.101 6.096 7.928 1.00 74.11 H new ATOM 0 HZ3 LYS A 398 -10.063 7.395 7.583 1.00 74.11 H new ATOM 272 N LEU A 399 -15.666 11.278 2.993 1.00 21.34 N ATOM 273 CA LEU A 399 -15.955 11.541 1.568 1.00 23.31 C ATOM 274 C LEU A 399 -14.964 10.796 0.653 1.00 1.34 C ATOM 275 O LEU A 399 -13.794 10.589 1.011 1.00 63.12 O ATOM 276 CB LEU A 399 -15.950 13.075 1.273 1.00 74.34 C ATOM 277 CG LEU A 399 -17.306 13.820 1.514 1.00 75.25 C ATOM 278 CD1 LEU A 399 -17.895 13.529 2.908 1.00 63.05 C ATOM 279 CD2 LEU A 399 -17.145 15.334 1.284 1.00 23.00 C ATOM 0 H LEU A 399 -15.147 12.027 3.452 1.00 21.34 H new ATOM 0 HA LEU A 399 -16.954 11.161 1.352 1.00 23.31 H new ATOM 0 HB2 LEU A 399 -15.185 13.543 1.893 1.00 74.34 H new ATOM 0 HB3 LEU A 399 -15.654 13.225 0.235 1.00 74.34 H new ATOM 0 HG LEU A 399 -18.019 13.434 0.785 1.00 75.25 H new ATOM 0 HD11 LEU A 399 -18.835 14.069 3.026 1.00 63.05 H new ATOM 0 HD12 LEU A 399 -18.076 12.459 3.010 1.00 63.05 H new ATOM 0 HD13 LEU A 399 -17.192 13.853 3.675 1.00 63.05 H new ATOM 0 HD21 LEU A 399 -18.099 15.832 1.457 1.00 23.00 H new ATOM 0 HD22 LEU A 399 -16.399 15.729 1.974 1.00 23.00 H new ATOM 0 HD23 LEU A 399 -16.822 15.514 0.258 1.00 23.00 H new ATOM 291 N LEU A 400 -15.461 10.396 -0.523 1.00 24.34 N ATOM 292 CA LEU A 400 -14.677 9.679 -1.533 1.00 65.21 C ATOM 293 C LEU A 400 -13.747 10.654 -2.282 1.00 42.15 C ATOM 294 O LEU A 400 -14.215 11.563 -2.974 1.00 53.02 O ATOM 295 CB LEU A 400 -15.621 8.951 -2.530 1.00 70.21 C ATOM 296 CG LEU A 400 -14.916 8.148 -3.670 1.00 40.24 C ATOM 297 CD1 LEU A 400 -13.966 7.081 -3.092 1.00 2.11 C ATOM 298 CD2 LEU A 400 -15.948 7.528 -4.644 1.00 34.04 C ATOM 0 H LEU A 400 -16.428 10.563 -0.802 1.00 24.34 H new ATOM 0 HA LEU A 400 -14.061 8.932 -1.032 1.00 65.21 H new ATOM 0 HB2 LEU A 400 -16.255 8.266 -1.967 1.00 70.21 H new ATOM 0 HB3 LEU A 400 -16.278 9.692 -2.986 1.00 70.21 H new ATOM 0 HG LEU A 400 -14.310 8.848 -4.245 1.00 40.24 H new ATOM 0 HD11 LEU A 400 -13.489 6.538 -3.908 1.00 2.11 H new ATOM 0 HD12 LEU A 400 -13.202 7.565 -2.483 1.00 2.11 H new ATOM 0 HD13 LEU A 400 -14.534 6.384 -2.475 1.00 2.11 H new ATOM 0 HD21 LEU A 400 -15.425 6.976 -5.425 1.00 34.04 H new ATOM 0 HD22 LEU A 400 -16.603 6.850 -4.097 1.00 34.04 H new ATOM 0 HD23 LEU A 400 -16.543 8.321 -5.096 1.00 34.04 H new ATOM 310 N ALA A 401 -12.432 10.464 -2.115 1.00 44.23 N ATOM 311 CA ALA A 401 -11.411 11.232 -2.846 1.00 74.34 C ATOM 312 C ALA A 401 -11.231 10.686 -4.280 1.00 75.03 C ATOM 313 O ALA A 401 -11.447 11.397 -5.265 1.00 65.24 O ATOM 314 CB ALA A 401 -10.077 11.191 -2.081 1.00 34.53 C ATOM 0 H ALA A 401 -12.044 9.775 -1.471 1.00 44.23 H new ATOM 0 HA ALA A 401 -11.744 12.267 -2.921 1.00 74.34 H new ATOM 0 HB1 ALA A 401 -9.326 11.761 -2.628 1.00 34.53 H new ATOM 0 HB2 ALA A 401 -10.212 11.625 -1.090 1.00 34.53 H new ATOM 0 HB3 ALA A 401 -9.746 10.157 -1.982 1.00 34.53 H new ATOM 320 N TRP A 402 -10.884 9.392 -4.383 1.00 41.51 N ATOM 321 CA TRP A 402 -10.391 8.783 -5.640 1.00 24.43 C ATOM 322 C TRP A 402 -11.073 7.427 -5.910 1.00 53.30 C ATOM 323 O TRP A 402 -11.421 6.707 -4.985 1.00 33.42 O ATOM 324 CB TRP A 402 -8.852 8.614 -5.528 1.00 65.21 C ATOM 325 CG TRP A 402 -8.145 8.185 -6.796 1.00 32.24 C ATOM 326 CD1 TRP A 402 -7.798 8.978 -7.859 1.00 72.02 C ATOM 327 CD2 TRP A 402 -7.683 6.867 -7.121 1.00 3.41 C ATOM 328 NE1 TRP A 402 -7.142 8.233 -8.806 1.00 62.42 N ATOM 329 CE2 TRP A 402 -7.060 6.936 -8.377 1.00 1.24 C ATOM 330 CE3 TRP A 402 -7.735 5.640 -6.461 1.00 24.14 C ATOM 331 CZ2 TRP A 402 -6.500 5.822 -8.992 1.00 72.01 C ATOM 332 CZ3 TRP A 402 -7.179 4.536 -7.069 1.00 14.40 C ATOM 333 CH2 TRP A 402 -6.560 4.635 -8.323 1.00 42.52 C ATOM 0 H TRP A 402 -10.935 8.737 -3.603 1.00 41.51 H new ATOM 0 HA TRP A 402 -10.635 9.433 -6.480 1.00 24.43 H new ATOM 0 HB2 TRP A 402 -8.424 9.560 -5.198 1.00 65.21 H new ATOM 0 HB3 TRP A 402 -8.641 7.880 -4.750 1.00 65.21 H new ATOM 0 HD1 TRP A 402 -8.010 10.034 -7.939 1.00 72.02 H new ATOM 0 HE1 TRP A 402 -6.774 8.589 -9.688 1.00 62.42 H new ATOM 0 HE3 TRP A 402 -8.203 5.557 -5.491 1.00 24.14 H new ATOM 0 HZ2 TRP A 402 -6.035 5.894 -9.964 1.00 72.01 H new ATOM 0 HZ3 TRP A 402 -7.221 3.578 -6.571 1.00 14.40 H new ATOM 0 HH2 TRP A 402 -6.122 3.754 -8.768 1.00 42.52 H new ATOM 344 N SER A 403 -11.245 7.094 -7.196 1.00 74.22 N ATOM 345 CA SER A 403 -11.777 5.790 -7.646 1.00 60.44 C ATOM 346 C SER A 403 -11.033 5.365 -8.930 1.00 63.21 C ATOM 347 O SER A 403 -10.972 6.122 -9.903 1.00 3.43 O ATOM 348 CB SER A 403 -13.311 5.858 -7.875 1.00 51.15 C ATOM 349 OG SER A 403 -13.663 6.827 -8.853 1.00 30.02 O ATOM 0 H SER A 403 -11.018 7.725 -7.965 1.00 74.22 H new ATOM 0 HA SER A 403 -11.609 5.043 -6.871 1.00 60.44 H new ATOM 0 HB2 SER A 403 -13.674 4.879 -8.188 1.00 51.15 H new ATOM 0 HB3 SER A 403 -13.807 6.096 -6.934 1.00 51.15 H new ATOM 0 HG SER A 403 -12.892 7.003 -9.432 1.00 30.02 H new ATOM 355 N GLY A 404 -10.456 4.161 -8.907 1.00 75.33 N ATOM 356 CA GLY A 404 -9.563 3.676 -9.964 1.00 14.31 C ATOM 357 C GLY A 404 -9.240 2.200 -9.777 1.00 11.45 C ATOM 358 O GLY A 404 -10.113 1.434 -9.360 1.00 45.02 O ATOM 0 H GLY A 404 -10.596 3.491 -8.151 1.00 75.33 H new ATOM 0 HA2 GLY A 404 -10.030 3.828 -10.937 1.00 14.31 H new ATOM 0 HA3 GLY A 404 -8.640 4.256 -9.959 1.00 14.31 H new ATOM 362 N VAL A 405 -8.007 1.779 -10.112 1.00 13.32 N ATOM 363 CA VAL A 405 -7.574 0.371 -9.961 1.00 21.42 C ATOM 364 C VAL A 405 -6.264 0.272 -9.136 1.00 33.02 C ATOM 365 O VAL A 405 -5.418 1.161 -9.188 1.00 0.40 O ATOM 366 CB VAL A 405 -7.415 -0.335 -11.369 1.00 45.25 C ATOM 367 CG1 VAL A 405 -6.162 0.106 -12.124 1.00 54.45 C ATOM 368 CG2 VAL A 405 -7.503 -1.878 -11.261 1.00 52.44 C ATOM 0 H VAL A 405 -7.287 2.394 -10.491 1.00 13.32 H new ATOM 0 HA VAL A 405 -8.354 -0.156 -9.412 1.00 21.42 H new ATOM 0 HB VAL A 405 -8.264 -0.000 -11.965 1.00 45.25 H new ATOM 0 HG11 VAL A 405 -6.112 -0.414 -13.081 1.00 54.45 H new ATOM 0 HG12 VAL A 405 -6.201 1.181 -12.297 1.00 54.45 H new ATOM 0 HG13 VAL A 405 -5.278 -0.134 -11.533 1.00 54.45 H new ATOM 0 HG21 VAL A 405 -7.389 -2.319 -12.251 1.00 52.44 H new ATOM 0 HG22 VAL A 405 -6.711 -2.243 -10.607 1.00 52.44 H new ATOM 0 HG23 VAL A 405 -8.472 -2.159 -10.848 1.00 52.44 H new ATOM 378 N LEU A 406 -6.147 -0.801 -8.341 1.00 15.11 N ATOM 379 CA LEU A 406 -4.924 -1.154 -7.592 1.00 2.20 C ATOM 380 C LEU A 406 -4.350 -2.464 -8.168 1.00 2.40 C ATOM 381 O LEU A 406 -5.005 -3.503 -8.093 1.00 22.33 O ATOM 382 CB LEU A 406 -5.261 -1.337 -6.086 1.00 72.30 C ATOM 383 CG LEU A 406 -4.074 -1.767 -5.165 1.00 43.42 C ATOM 384 CD1 LEU A 406 -2.989 -0.666 -5.074 1.00 71.01 C ATOM 385 CD2 LEU A 406 -4.580 -2.190 -3.771 1.00 13.41 C ATOM 0 H LEU A 406 -6.910 -1.462 -8.195 1.00 15.11 H new ATOM 0 HA LEU A 406 -4.187 -0.356 -7.689 1.00 2.20 H new ATOM 0 HB2 LEU A 406 -5.666 -0.398 -5.708 1.00 72.30 H new ATOM 0 HB3 LEU A 406 -6.051 -2.083 -5.999 1.00 72.30 H new ATOM 0 HG LEU A 406 -3.601 -2.637 -5.621 1.00 43.42 H new ATOM 0 HD11 LEU A 406 -2.181 -1.004 -4.425 1.00 71.01 H new ATOM 0 HD12 LEU A 406 -2.593 -0.462 -6.069 1.00 71.01 H new ATOM 0 HD13 LEU A 406 -3.427 0.244 -4.664 1.00 71.01 H new ATOM 0 HD21 LEU A 406 -3.734 -2.484 -3.151 1.00 13.41 H new ATOM 0 HD22 LEU A 406 -5.099 -1.354 -3.303 1.00 13.41 H new ATOM 0 HD23 LEU A 406 -5.265 -3.032 -3.873 1.00 13.41 H new ATOM 397 N GLU A 407 -3.135 -2.406 -8.730 1.00 4.50 N ATOM 398 CA GLU A 407 -2.490 -3.557 -9.406 1.00 50.43 C ATOM 399 C GLU A 407 -1.144 -3.908 -8.732 1.00 12.34 C ATOM 400 O GLU A 407 -0.406 -3.013 -8.322 1.00 71.44 O ATOM 401 CB GLU A 407 -2.283 -3.222 -10.905 1.00 13.44 C ATOM 402 CG GLU A 407 -1.705 -4.374 -11.754 1.00 20.24 C ATOM 403 CD GLU A 407 -1.525 -3.991 -13.229 1.00 73.12 C ATOM 404 OE1 GLU A 407 -0.519 -3.338 -13.566 1.00 24.40 O ATOM 405 OE2 GLU A 407 -2.402 -4.308 -14.061 1.00 1.40 O ATOM 0 H GLU A 407 -2.564 -1.561 -8.733 1.00 4.50 H new ATOM 0 HA GLU A 407 -3.138 -4.429 -9.320 1.00 50.43 H new ATOM 0 HB2 GLU A 407 -3.240 -2.921 -11.331 1.00 13.44 H new ATOM 0 HB3 GLU A 407 -1.616 -2.363 -10.982 1.00 13.44 H new ATOM 0 HG2 GLU A 407 -0.742 -4.676 -11.341 1.00 20.24 H new ATOM 0 HG3 GLU A 407 -2.366 -5.238 -11.685 1.00 20.24 H new ATOM 412 N TRP A 408 -0.829 -5.219 -8.643 1.00 63.04 N ATOM 413 CA TRP A 408 0.396 -5.717 -7.974 1.00 22.23 C ATOM 414 C TRP A 408 0.918 -7.026 -8.614 1.00 42.04 C ATOM 415 O TRP A 408 0.298 -7.592 -9.525 1.00 72.53 O ATOM 416 CB TRP A 408 0.118 -5.930 -6.459 1.00 34.34 C ATOM 417 CG TRP A 408 -0.896 -7.017 -6.148 1.00 21.34 C ATOM 418 CD1 TRP A 408 -0.641 -8.349 -5.962 1.00 32.43 C ATOM 419 CD2 TRP A 408 -2.312 -6.864 -5.998 1.00 32.34 C ATOM 420 NE1 TRP A 408 -1.797 -9.019 -5.679 1.00 44.03 N ATOM 421 CE2 TRP A 408 -2.835 -8.133 -5.698 1.00 3.55 C ATOM 422 CE3 TRP A 408 -3.186 -5.776 -6.076 1.00 11.25 C ATOM 423 CZ2 TRP A 408 -4.183 -8.346 -5.484 1.00 11.24 C ATOM 424 CZ3 TRP A 408 -4.530 -5.992 -5.865 1.00 35.51 C ATOM 425 CH2 TRP A 408 -5.013 -7.273 -5.568 1.00 54.00 C ATOM 0 H TRP A 408 -1.413 -5.960 -9.031 1.00 63.04 H new ATOM 0 HA TRP A 408 1.174 -4.964 -8.101 1.00 22.23 H new ATOM 0 HB2 TRP A 408 1.057 -6.174 -5.962 1.00 34.34 H new ATOM 0 HB3 TRP A 408 -0.234 -4.991 -6.032 1.00 34.34 H new ATOM 0 HD1 TRP A 408 0.336 -8.805 -6.029 1.00 32.43 H new ATOM 0 HE1 TRP A 408 -1.872 -10.018 -5.485 1.00 44.03 H new ATOM 0 HE3 TRP A 408 -2.815 -4.786 -6.297 1.00 11.25 H new ATOM 0 HZ2 TRP A 408 -4.564 -9.331 -5.258 1.00 11.24 H new ATOM 0 HZ3 TRP A 408 -5.220 -5.164 -5.929 1.00 35.51 H new ATOM 0 HH2 TRP A 408 -6.071 -7.411 -5.402 1.00 54.00 H new ATOM 436 N GLN A 409 2.071 -7.494 -8.097 1.00 74.35 N ATOM 437 CA GLN A 409 2.691 -8.785 -8.472 1.00 52.02 C ATOM 438 C GLN A 409 2.722 -9.737 -7.254 1.00 64.13 C ATOM 439 O GLN A 409 3.190 -9.352 -6.172 1.00 61.12 O ATOM 440 CB GLN A 409 4.130 -8.546 -9.020 1.00 23.11 C ATOM 441 CG GLN A 409 4.212 -7.606 -10.255 1.00 11.34 C ATOM 442 CD GLN A 409 3.859 -8.236 -11.622 1.00 43.45 C ATOM 443 OE1 GLN A 409 3.029 -9.262 -11.666 1.00 33.13 O flip ATOM 444 NE2 GLN A 409 4.361 -7.804 -12.650 1.00 72.42 N flip ATOM 0 H GLN A 409 2.607 -6.981 -7.397 1.00 74.35 H new ATOM 0 HA GLN A 409 2.094 -9.251 -9.256 1.00 52.02 H new ATOM 0 HB2 GLN A 409 4.742 -8.127 -8.221 1.00 23.11 H new ATOM 0 HB3 GLN A 409 4.567 -9.509 -9.285 1.00 23.11 H new ATOM 0 HG2 GLN A 409 3.545 -6.761 -10.086 1.00 11.34 H new ATOM 0 HG3 GLN A 409 5.224 -7.207 -10.314 1.00 11.34 H new ATOM 0 HE21 GLN A 409 5.002 -7.011 -12.611 1.00 72.42 H new ATOM 0 HE22 GLN A 409 4.139 -8.236 -13.547 1.00 72.42 H new ATOM 453 N GLU A 410 2.233 -10.981 -7.436 1.00 32.44 N ATOM 454 CA GLU A 410 2.115 -11.976 -6.344 1.00 32.44 C ATOM 455 C GLU A 410 3.369 -12.874 -6.235 1.00 35.41 C ATOM 456 O GLU A 410 4.208 -12.921 -7.141 1.00 12.34 O ATOM 457 CB GLU A 410 0.857 -12.868 -6.550 1.00 41.40 C ATOM 458 CG GLU A 410 -0.465 -12.093 -6.681 1.00 73.20 C ATOM 459 CD GLU A 410 -1.713 -12.991 -6.564 1.00 44.31 C ATOM 460 OE1 GLU A 410 -1.922 -13.855 -7.453 1.00 2.23 O ATOM 461 OE2 GLU A 410 -2.482 -12.843 -5.581 1.00 31.52 O ATOM 0 H GLU A 410 1.909 -11.326 -8.340 1.00 32.44 H new ATOM 0 HA GLU A 410 2.020 -11.414 -5.415 1.00 32.44 H new ATOM 0 HB2 GLU A 410 0.999 -13.472 -7.446 1.00 41.40 H new ATOM 0 HB3 GLU A 410 0.776 -13.558 -5.710 1.00 41.40 H new ATOM 0 HG2 GLU A 410 -0.505 -11.324 -5.909 1.00 73.20 H new ATOM 0 HG3 GLU A 410 -0.484 -11.580 -7.643 1.00 73.20 H new ATOM 649 N LEU A 423 2.354 -13.429 -12.222 1.00 4.54 N ATOM 650 CA LEU A 423 1.202 -13.255 -11.309 1.00 32.24 C ATOM 651 C LEU A 423 0.822 -11.775 -11.116 1.00 1.23 C ATOM 652 O LEU A 423 1.344 -11.090 -10.245 1.00 51.55 O ATOM 653 CB LEU A 423 1.400 -13.984 -9.962 1.00 54.24 C ATOM 654 CG LEU A 423 1.209 -15.536 -10.011 1.00 22.02 C ATOM 655 CD1 LEU A 423 2.437 -16.262 -10.596 1.00 73.33 C ATOM 656 CD2 LEU A 423 0.807 -16.073 -8.632 1.00 34.23 C ATOM 0 HA LEU A 423 0.353 -13.733 -11.799 1.00 32.24 H new ATOM 0 HB2 LEU A 423 2.403 -13.769 -9.595 1.00 54.24 H new ATOM 0 HB3 LEU A 423 0.699 -13.570 -9.237 1.00 54.24 H new ATOM 0 HG LEU A 423 0.390 -15.749 -10.698 1.00 22.02 H new ATOM 0 HD11 LEU A 423 2.253 -17.336 -10.608 1.00 73.33 H new ATOM 0 HD12 LEU A 423 2.616 -15.913 -11.613 1.00 73.33 H new ATOM 0 HD13 LEU A 423 3.312 -16.050 -9.981 1.00 73.33 H new ATOM 0 HD21 LEU A 423 0.679 -17.154 -8.686 1.00 34.23 H new ATOM 0 HD22 LEU A 423 1.586 -15.836 -7.908 1.00 34.23 H new ATOM 0 HD23 LEU A 423 -0.130 -15.611 -8.321 1.00 34.23 H new ATOM 668 N THR A 424 -0.112 -11.311 -11.946 1.00 51.31 N ATOM 669 CA THR A 424 -0.524 -9.891 -12.007 1.00 65.23 C ATOM 670 C THR A 424 -2.024 -9.775 -11.684 1.00 52.53 C ATOM 671 O THR A 424 -2.871 -10.225 -12.466 1.00 34.13 O ATOM 672 CB THR A 424 -0.240 -9.267 -13.422 1.00 23.23 C ATOM 673 OG1 THR A 424 1.134 -9.491 -13.800 1.00 55.10 O ATOM 674 CG2 THR A 424 -0.527 -7.751 -13.461 1.00 12.31 C ATOM 0 H THR A 424 -0.614 -11.907 -12.604 1.00 51.31 H new ATOM 0 HA THR A 424 0.061 -9.339 -11.271 1.00 65.23 H new ATOM 0 HB THR A 424 -0.912 -9.760 -14.124 1.00 23.23 H new ATOM 0 HG1 THR A 424 1.710 -9.392 -13.013 1.00 55.10 H new ATOM 0 HG21 THR A 424 -0.316 -7.366 -14.459 1.00 12.31 H new ATOM 0 HG22 THR A 424 -1.574 -7.573 -13.217 1.00 12.31 H new ATOM 0 HG23 THR A 424 0.106 -7.242 -12.734 1.00 12.31 H new ATOM 682 N ARG A 425 -2.348 -9.195 -10.520 1.00 13.23 N ATOM 683 CA ARG A 425 -3.745 -9.014 -10.063 1.00 32.12 C ATOM 684 C ARG A 425 -4.096 -7.525 -9.942 1.00 44.54 C ATOM 685 O ARG A 425 -3.223 -6.696 -9.698 1.00 62.31 O ATOM 686 CB ARG A 425 -3.948 -9.709 -8.700 1.00 41.42 C ATOM 687 CG ARG A 425 -3.725 -11.229 -8.700 1.00 3.15 C ATOM 688 CD ARG A 425 -4.728 -11.987 -9.581 1.00 41.03 C ATOM 689 NE ARG A 425 -4.569 -13.445 -9.472 1.00 72.14 N ATOM 690 CZ ARG A 425 -5.398 -14.336 -9.967 1.00 40.24 C ATOM 691 NH1 ARG A 425 -6.464 -13.982 -10.625 1.00 4.51 N ATOM 692 NH2 ARG A 425 -5.161 -15.587 -9.794 1.00 61.12 N ATOM 0 H ARG A 425 -1.654 -8.836 -9.864 1.00 13.23 H new ATOM 0 HA ARG A 425 -4.406 -9.465 -10.803 1.00 32.12 H new ATOM 0 HB2 ARG A 425 -3.269 -9.258 -7.976 1.00 41.42 H new ATOM 0 HB3 ARG A 425 -4.962 -9.507 -8.355 1.00 41.42 H new ATOM 0 HG2 ARG A 425 -2.714 -11.441 -9.047 1.00 3.15 H new ATOM 0 HG3 ARG A 425 -3.796 -11.600 -7.678 1.00 3.15 H new ATOM 0 HD2 ARG A 425 -5.743 -11.711 -9.294 1.00 41.03 H new ATOM 0 HD3 ARG A 425 -4.597 -11.685 -10.620 1.00 41.03 H new ATOM 0 HE ARG A 425 -3.750 -13.792 -8.972 1.00 72.14 H new ATOM 0 HH11 ARG A 425 -6.671 -12.993 -10.766 1.00 4.51 H new ATOM 0 HH12 ARG A 425 -7.092 -14.693 -10.999 1.00 4.51 H new ATOM 0 HH21 ARG A 425 -4.334 -15.882 -9.275 1.00 61.12 H new ATOM 0 HH22 ARG A 425 -5.800 -16.285 -10.175 1.00 61.12 H new ATOM 706 N SER A 426 -5.395 -7.210 -10.074 1.00 11.51 N ATOM 707 CA SER A 426 -5.897 -5.819 -10.015 1.00 61.54 C ATOM 708 C SER A 426 -7.322 -5.766 -9.428 1.00 22.03 C ATOM 709 O SER A 426 -8.072 -6.743 -9.525 1.00 71.25 O ATOM 710 CB SER A 426 -5.868 -5.168 -11.415 1.00 22.40 C ATOM 711 OG SER A 426 -6.795 -5.777 -12.302 1.00 44.11 O ATOM 0 H SER A 426 -6.126 -7.905 -10.224 1.00 11.51 H new ATOM 0 HA SER A 426 -5.237 -5.255 -9.356 1.00 61.54 H new ATOM 0 HB2 SER A 426 -6.095 -4.106 -11.326 1.00 22.40 H new ATOM 0 HB3 SER A 426 -4.863 -5.246 -11.831 1.00 22.40 H new ATOM 0 HG SER A 426 -6.749 -5.337 -13.176 1.00 44.11 H new ATOM 717 N LEU A 427 -7.684 -4.614 -8.823 1.00 64.12 N ATOM 718 CA LEU A 427 -8.995 -4.413 -8.135 1.00 33.35 C ATOM 719 C LEU A 427 -9.554 -2.989 -8.361 1.00 61.21 C ATOM 720 O LEU A 427 -8.796 -2.030 -8.275 1.00 43.32 O ATOM 721 CB LEU A 427 -8.827 -4.615 -6.608 1.00 40.44 C ATOM 722 CG LEU A 427 -8.498 -6.049 -6.125 1.00 70.43 C ATOM 723 CD1 LEU A 427 -8.130 -6.036 -4.633 1.00 12.50 C ATOM 724 CD2 LEU A 427 -9.666 -7.018 -6.420 1.00 3.35 C ATOM 0 H LEU A 427 -7.081 -3.792 -8.793 1.00 64.12 H new ATOM 0 HA LEU A 427 -9.688 -5.141 -8.556 1.00 33.35 H new ATOM 0 HB2 LEU A 427 -8.035 -3.950 -6.263 1.00 40.44 H new ATOM 0 HB3 LEU A 427 -9.747 -4.295 -6.120 1.00 40.44 H new ATOM 0 HG LEU A 427 -7.634 -6.414 -6.680 1.00 70.43 H new ATOM 0 HD11 LEU A 427 -7.901 -7.050 -4.306 1.00 12.50 H new ATOM 0 HD12 LEU A 427 -7.259 -5.399 -4.479 1.00 12.50 H new ATOM 0 HD13 LEU A 427 -8.969 -5.649 -4.055 1.00 12.50 H new ATOM 0 HD21 LEU A 427 -9.407 -8.017 -6.070 1.00 3.35 H new ATOM 0 HD22 LEU A 427 -10.563 -6.674 -5.905 1.00 3.35 H new ATOM 0 HD23 LEU A 427 -9.853 -7.047 -7.493 1.00 3.35 H new ATOM 736 N PRO A 428 -10.895 -2.821 -8.608 1.00 50.24 N ATOM 737 CA PRO A 428 -11.531 -1.476 -8.635 1.00 3.10 C ATOM 738 C PRO A 428 -11.560 -0.848 -7.207 1.00 25.53 C ATOM 739 O PRO A 428 -12.428 -1.169 -6.397 1.00 12.33 O ATOM 740 CB PRO A 428 -12.956 -1.766 -9.192 1.00 22.12 C ATOM 741 CG PRO A 428 -13.225 -3.201 -8.818 1.00 63.51 C ATOM 742 CD PRO A 428 -11.878 -3.905 -8.886 1.00 70.30 C ATOM 0 HA PRO A 428 -10.995 -0.748 -9.244 1.00 3.10 H new ATOM 0 HB2 PRO A 428 -13.697 -1.097 -8.754 1.00 22.12 H new ATOM 0 HB3 PRO A 428 -12.996 -1.623 -10.272 1.00 22.12 H new ATOM 0 HG2 PRO A 428 -13.653 -3.271 -7.818 1.00 63.51 H new ATOM 0 HG3 PRO A 428 -13.940 -3.657 -9.503 1.00 63.51 H new ATOM 0 HD2 PRO A 428 -11.808 -4.706 -8.151 1.00 70.30 H new ATOM 0 HD3 PRO A 428 -11.711 -4.355 -9.865 1.00 70.30 H new ATOM 750 N CYS A 429 -10.582 0.036 -6.913 1.00 23.32 N ATOM 751 CA CYS A 429 -10.338 0.559 -5.545 1.00 52.12 C ATOM 752 C CYS A 429 -10.832 2.010 -5.367 1.00 43.00 C ATOM 753 O CYS A 429 -10.711 2.840 -6.267 1.00 52.12 O ATOM 754 CB CYS A 429 -8.827 0.480 -5.221 1.00 33.24 C ATOM 755 SG CYS A 429 -7.769 1.392 -6.362 1.00 1.34 S ATOM 0 H CYS A 429 -9.940 0.408 -7.613 1.00 23.32 H new ATOM 0 HA CYS A 429 -10.908 -0.063 -4.854 1.00 52.12 H new ATOM 0 HB2 CYS A 429 -8.664 0.860 -4.212 1.00 33.24 H new ATOM 0 HB3 CYS A 429 -8.523 -0.567 -5.221 1.00 33.24 H new ATOM 0 HG CYS A 429 -8.395 2.451 -6.782 1.00 1.34 H new ATOM 761 N GLN A 430 -11.395 2.287 -4.178 1.00 24.05 N ATOM 762 CA GLN A 430 -11.897 3.617 -3.771 1.00 42.34 C ATOM 763 C GLN A 430 -11.115 4.135 -2.536 1.00 52.11 C ATOM 764 O GLN A 430 -11.100 3.485 -1.494 1.00 52.20 O ATOM 765 CB GLN A 430 -13.407 3.505 -3.434 1.00 42.23 C ATOM 766 CG GLN A 430 -14.309 3.129 -4.626 1.00 34.32 C ATOM 767 CD GLN A 430 -15.793 3.010 -4.253 1.00 64.05 C ATOM 768 OE1 GLN A 430 -16.150 2.657 -3.131 1.00 53.02 O ATOM 769 NE2 GLN A 430 -16.672 3.304 -5.191 1.00 61.55 N ATOM 0 H GLN A 430 -11.518 1.578 -3.455 1.00 24.05 H new ATOM 0 HA GLN A 430 -11.753 4.323 -4.589 1.00 42.34 H new ATOM 0 HB2 GLN A 430 -13.536 2.759 -2.650 1.00 42.23 H new ATOM 0 HB3 GLN A 430 -13.746 4.458 -3.026 1.00 42.23 H new ATOM 0 HG2 GLN A 430 -14.198 3.880 -5.408 1.00 34.32 H new ATOM 0 HG3 GLN A 430 -13.970 2.181 -5.044 1.00 34.32 H new ATOM 0 HE21 GLN A 430 -16.353 3.595 -6.115 1.00 61.55 H new ATOM 0 HE22 GLN A 430 -17.670 3.241 -4.992 1.00 61.55 H new ATOM 778 N VAL A 431 -10.481 5.314 -2.658 1.00 42.24 N ATOM 779 CA VAL A 431 -9.761 5.969 -1.538 1.00 32.42 C ATOM 780 C VAL A 431 -10.673 7.019 -0.848 1.00 33.11 C ATOM 781 O VAL A 431 -11.041 8.026 -1.460 1.00 22.15 O ATOM 782 CB VAL A 431 -8.432 6.666 -2.026 1.00 41.42 C ATOM 783 CG1 VAL A 431 -7.655 7.307 -0.838 1.00 43.33 C ATOM 784 CG2 VAL A 431 -7.541 5.671 -2.814 1.00 51.31 C ATOM 0 H VAL A 431 -10.450 5.843 -3.530 1.00 42.24 H new ATOM 0 HA VAL A 431 -9.495 5.189 -0.824 1.00 32.42 H new ATOM 0 HB VAL A 431 -8.710 7.473 -2.704 1.00 41.42 H new ATOM 0 HG11 VAL A 431 -6.745 7.778 -1.210 1.00 43.33 H new ATOM 0 HG12 VAL A 431 -8.281 8.058 -0.356 1.00 43.33 H new ATOM 0 HG13 VAL A 431 -7.394 6.534 -0.115 1.00 43.33 H new ATOM 0 HG21 VAL A 431 -6.631 6.176 -3.139 1.00 51.31 H new ATOM 0 HG22 VAL A 431 -7.279 4.830 -2.172 1.00 51.31 H new ATOM 0 HG23 VAL A 431 -8.085 5.307 -3.685 1.00 51.31 H new ATOM 794 N TYR A 432 -11.055 6.747 0.409 1.00 5.42 N ATOM 795 CA TYR A 432 -11.799 7.698 1.274 1.00 42.30 C ATOM 796 C TYR A 432 -10.839 8.465 2.208 1.00 72.32 C ATOM 797 O TYR A 432 -9.823 7.923 2.645 1.00 34.31 O ATOM 798 CB TYR A 432 -12.855 6.932 2.103 1.00 55.50 C ATOM 799 CG TYR A 432 -14.022 6.393 1.261 1.00 24.11 C ATOM 800 CD1 TYR A 432 -13.905 5.213 0.518 1.00 50.13 C ATOM 801 CD2 TYR A 432 -15.231 7.084 1.193 1.00 50.21 C ATOM 802 CE1 TYR A 432 -14.954 4.744 -0.251 1.00 64.45 C ATOM 803 CE2 TYR A 432 -16.281 6.621 0.423 1.00 52.20 C ATOM 804 CZ TYR A 432 -16.139 5.452 -0.298 1.00 73.14 C ATOM 805 OH TYR A 432 -17.184 5.002 -1.079 1.00 0.22 O ATOM 0 H TYR A 432 -10.859 5.856 0.865 1.00 5.42 H new ATOM 0 HA TYR A 432 -12.300 8.426 0.637 1.00 42.30 H new ATOM 0 HB2 TYR A 432 -12.371 6.100 2.613 1.00 55.50 H new ATOM 0 HB3 TYR A 432 -13.249 7.593 2.875 1.00 55.50 H new ATOM 0 HD1 TYR A 432 -12.979 4.659 0.546 1.00 50.13 H new ATOM 0 HD2 TYR A 432 -15.349 8.000 1.753 1.00 50.21 H new ATOM 0 HE1 TYR A 432 -14.847 3.828 -0.813 1.00 64.45 H new ATOM 0 HE2 TYR A 432 -17.209 7.172 0.385 1.00 52.20 H new ATOM 0 HH TYR A 432 -16.858 4.315 -1.698 1.00 0.22 H new ATOM 815 N VAL A 433 -11.180 9.733 2.527 1.00 12.31 N ATOM 816 CA VAL A 433 -10.284 10.643 3.289 1.00 63.41 C ATOM 817 C VAL A 433 -10.986 11.315 4.510 1.00 43.51 C ATOM 818 O VAL A 433 -10.921 10.785 5.626 1.00 51.34 O ATOM 819 CB VAL A 433 -9.617 11.715 2.324 1.00 61.33 C ATOM 820 CG1 VAL A 433 -8.438 11.102 1.543 1.00 31.03 C ATOM 821 CG2 VAL A 433 -10.651 12.329 1.334 1.00 74.23 C ATOM 0 H VAL A 433 -12.072 10.155 2.269 1.00 12.31 H new ATOM 0 HA VAL A 433 -9.492 10.025 3.711 1.00 63.41 H new ATOM 0 HB VAL A 433 -9.240 12.518 2.957 1.00 61.33 H new ATOM 0 HG11 VAL A 433 -8.001 11.858 0.891 1.00 31.03 H new ATOM 0 HG12 VAL A 433 -7.683 10.747 2.244 1.00 31.03 H new ATOM 0 HG13 VAL A 433 -8.795 10.267 0.941 1.00 31.03 H new ATOM 0 HG21 VAL A 433 -10.153 13.057 0.693 1.00 74.23 H new ATOM 0 HG22 VAL A 433 -11.081 11.538 0.719 1.00 74.23 H new ATOM 0 HG23 VAL A 433 -11.444 12.823 1.896 1.00 74.23 H new ATOM 831 N ASN A 434 -11.647 12.467 4.299 1.00 54.42 N ATOM 832 CA ASN A 434 -12.228 13.293 5.384 1.00 55.14 C ATOM 833 C ASN A 434 -13.359 14.200 4.803 1.00 75.21 C ATOM 834 O ASN A 434 -13.756 14.038 3.644 1.00 12.31 O ATOM 835 CB ASN A 434 -11.064 14.127 6.033 1.00 34.44 C ATOM 836 CG ASN A 434 -11.416 14.861 7.330 1.00 65.30 C ATOM 837 OD1 ASN A 434 -12.271 14.425 8.095 1.00 11.14 O ATOM 838 ND2 ASN A 434 -10.769 15.984 7.584 1.00 0.01 N ATOM 0 H ASN A 434 -11.796 12.857 3.368 1.00 54.42 H new ATOM 0 HA ASN A 434 -12.684 12.674 6.156 1.00 55.14 H new ATOM 0 HB2 ASN A 434 -10.228 13.456 6.232 1.00 34.44 H new ATOM 0 HB3 ASN A 434 -10.717 14.860 5.305 1.00 34.44 H new ATOM 0 HD21 ASN A 434 -10.976 16.511 8.433 1.00 0.01 H new ATOM 0 HD22 ASN A 434 -10.063 16.324 6.932 1.00 0.01 H new ATOM 884 N ASN A 438 -6.821 18.687 1.854 1.00 73.20 N ATOM 885 CA ASN A 438 -6.313 19.352 0.617 1.00 71.41 C ATOM 886 C ASN A 438 -5.764 18.322 -0.400 1.00 33.43 C ATOM 887 O ASN A 438 -5.026 18.680 -1.330 1.00 73.53 O ATOM 888 CB ASN A 438 -5.218 20.379 0.997 1.00 21.11 C ATOM 889 CG ASN A 438 -5.749 21.487 1.904 1.00 50.44 C ATOM 890 OD1 ASN A 438 -5.682 21.399 3.126 1.00 45.31 O ATOM 891 ND2 ASN A 438 -6.292 22.532 1.318 1.00 75.23 N ATOM 0 HA ASN A 438 -7.145 19.868 0.137 1.00 71.41 H new ATOM 0 HB2 ASN A 438 -4.399 19.864 1.499 1.00 21.11 H new ATOM 0 HB3 ASN A 438 -4.808 20.822 0.089 1.00 21.11 H new ATOM 0 HD21 ASN A 438 -6.670 23.294 1.882 1.00 75.23 H new ATOM 0 HD22 ASN A 438 -6.335 22.581 0.300 1.00 75.23 H new ATOM 898 N LEU A 439 -6.148 17.043 -0.228 1.00 50.52 N ATOM 899 CA LEU A 439 -5.689 15.941 -1.097 1.00 44.30 C ATOM 900 C LEU A 439 -6.453 15.950 -2.446 1.00 13.23 C ATOM 901 O LEU A 439 -7.530 15.356 -2.581 1.00 21.52 O ATOM 902 CB LEU A 439 -5.846 14.576 -0.367 1.00 1.20 C ATOM 903 CG LEU A 439 -5.237 13.335 -1.090 1.00 0.22 C ATOM 904 CD1 LEU A 439 -3.714 13.490 -1.286 1.00 1.11 C ATOM 905 CD2 LEU A 439 -5.587 12.030 -0.339 1.00 52.31 C ATOM 0 H LEU A 439 -6.782 16.745 0.513 1.00 50.52 H new ATOM 0 HA LEU A 439 -4.631 16.087 -1.316 1.00 44.30 H new ATOM 0 HB2 LEU A 439 -5.386 14.659 0.618 1.00 1.20 H new ATOM 0 HB3 LEU A 439 -6.909 14.393 -0.208 1.00 1.20 H new ATOM 0 HG LEU A 439 -5.684 13.273 -2.082 1.00 0.22 H new ATOM 0 HD11 LEU A 439 -3.321 12.609 -1.792 1.00 1.11 H new ATOM 0 HD12 LEU A 439 -3.513 14.375 -1.890 1.00 1.11 H new ATOM 0 HD13 LEU A 439 -3.231 13.596 -0.315 1.00 1.11 H new ATOM 0 HD21 LEU A 439 -5.151 11.180 -0.864 1.00 52.31 H new ATOM 0 HD22 LEU A 439 -5.188 12.075 0.674 1.00 52.31 H new ATOM 0 HD23 LEU A 439 -6.670 11.913 -0.297 1.00 52.31 H new ATOM 917 N LYS A 440 -5.888 16.676 -3.430 1.00 35.12 N ATOM 918 CA LYS A 440 -6.466 16.788 -4.781 1.00 3.13 C ATOM 919 C LYS A 440 -6.076 15.570 -5.641 1.00 51.11 C ATOM 920 O LYS A 440 -5.056 15.576 -6.350 1.00 42.54 O ATOM 921 CB LYS A 440 -6.024 18.115 -5.441 1.00 62.11 C ATOM 922 CG LYS A 440 -6.421 19.371 -4.634 1.00 41.31 C ATOM 923 CD LYS A 440 -5.993 20.688 -5.310 1.00 23.01 C ATOM 924 CE LYS A 440 -6.648 20.895 -6.694 1.00 22.42 C ATOM 925 NZ LYS A 440 -8.135 20.877 -6.621 1.00 31.31 N ATOM 0 H LYS A 440 -5.021 17.199 -3.310 1.00 35.12 H new ATOM 0 HA LYS A 440 -7.553 16.798 -4.702 1.00 3.13 H new ATOM 0 HB2 LYS A 440 -4.942 18.104 -5.570 1.00 62.11 H new ATOM 0 HB3 LYS A 440 -6.463 18.180 -6.437 1.00 62.11 H new ATOM 0 HG2 LYS A 440 -7.502 19.377 -4.493 1.00 41.31 H new ATOM 0 HG3 LYS A 440 -5.970 19.316 -3.643 1.00 41.31 H new ATOM 0 HD2 LYS A 440 -6.254 21.525 -4.662 1.00 23.01 H new ATOM 0 HD3 LYS A 440 -4.909 20.697 -5.422 1.00 23.01 H new ATOM 0 HE2 LYS A 440 -6.318 21.846 -7.112 1.00 22.42 H new ATOM 0 HE3 LYS A 440 -6.310 20.114 -7.375 1.00 22.42 H new ATOM 0 HZ1 LYS A 440 -8.531 21.153 -7.542 1.00 31.31 H new ATOM 0 HZ2 LYS A 440 -8.459 19.919 -6.378 1.00 31.31 H new ATOM 0 HZ3 LYS A 440 -8.455 21.546 -5.892 1.00 31.31 H new ATOM 939 N THR A 441 -6.902 14.521 -5.541 1.00 12.13 N ATOM 940 CA THR A 441 -6.725 13.250 -6.273 1.00 3.51 C ATOM 941 C THR A 441 -7.073 13.363 -7.775 1.00 1.23 C ATOM 942 O THR A 441 -6.937 12.392 -8.518 1.00 62.53 O ATOM 943 CB THR A 441 -7.583 12.130 -5.626 1.00 31.44 C ATOM 944 OG1 THR A 441 -8.964 12.518 -5.653 1.00 0.20 O ATOM 945 CG2 THR A 441 -7.161 11.847 -4.174 1.00 70.10 C ATOM 0 H THR A 441 -7.727 14.527 -4.941 1.00 12.13 H new ATOM 0 HA THR A 441 -5.666 13.000 -6.203 1.00 3.51 H new ATOM 0 HB THR A 441 -7.430 11.216 -6.201 1.00 31.44 H new ATOM 0 HG1 THR A 441 -9.311 12.557 -4.737 1.00 0.20 H new ATOM 0 HG21 THR A 441 -7.788 11.057 -3.760 1.00 70.10 H new ATOM 0 HG22 THR A 441 -6.118 11.531 -4.153 1.00 70.10 H new ATOM 0 HG23 THR A 441 -7.278 12.752 -3.578 1.00 70.10 H new ATOM 953 N GLU A 442 -7.534 14.552 -8.193 1.00 43.13 N ATOM 954 CA GLU A 442 -7.627 14.959 -9.615 1.00 14.23 C ATOM 955 C GLU A 442 -6.276 14.766 -10.367 1.00 44.51 C ATOM 956 O GLU A 442 -6.243 14.414 -11.550 1.00 60.33 O ATOM 957 CB GLU A 442 -8.069 16.448 -9.659 1.00 52.30 C ATOM 958 CG GLU A 442 -8.034 17.118 -11.047 1.00 50.20 C ATOM 959 CD GLU A 442 -8.510 18.579 -11.021 1.00 15.24 C ATOM 960 OE1 GLU A 442 -7.862 19.410 -10.346 1.00 32.53 O ATOM 961 OE2 GLU A 442 -9.548 18.900 -11.646 1.00 54.15 O ATOM 0 H GLU A 442 -7.859 15.272 -7.548 1.00 43.13 H new ATOM 0 HA GLU A 442 -8.356 14.327 -10.122 1.00 14.23 H new ATOM 0 HB2 GLU A 442 -9.084 16.518 -9.268 1.00 52.30 H new ATOM 0 HB3 GLU A 442 -7.429 17.017 -8.985 1.00 52.30 H new ATOM 0 HG2 GLU A 442 -7.017 17.080 -11.437 1.00 50.20 H new ATOM 0 HG3 GLU A 442 -8.661 16.550 -11.735 1.00 50.20 H new ATOM 968 N GLN A 443 -5.170 14.973 -9.632 1.00 14.03 N ATOM 969 CA GLN A 443 -3.789 14.901 -10.169 1.00 20.23 C ATOM 970 C GLN A 443 -3.231 13.446 -10.157 1.00 61.05 C ATOM 971 O GLN A 443 -2.106 13.203 -10.609 1.00 71.10 O ATOM 972 CB GLN A 443 -2.894 15.844 -9.319 1.00 54.21 C ATOM 973 CG GLN A 443 -3.463 17.275 -9.173 1.00 30.41 C ATOM 974 CD GLN A 443 -2.645 18.161 -8.239 1.00 5.43 C ATOM 975 OE1 GLN A 443 -2.928 18.094 -6.952 1.00 55.42 O flip ATOM 976 NE2 GLN A 443 -1.752 18.883 -8.663 1.00 62.24 N flip ATOM 0 H GLN A 443 -5.204 15.198 -8.638 1.00 14.03 H new ATOM 0 HA GLN A 443 -3.793 15.217 -11.212 1.00 20.23 H new ATOM 0 HB2 GLN A 443 -2.764 15.411 -8.327 1.00 54.21 H new ATOM 0 HB3 GLN A 443 -1.905 15.900 -9.774 1.00 54.21 H new ATOM 0 HG2 GLN A 443 -3.508 17.742 -10.157 1.00 30.41 H new ATOM 0 HG3 GLN A 443 -4.486 17.215 -8.801 1.00 30.41 H new ATOM 0 HE21 GLN A 443 -1.554 18.916 -9.663 1.00 62.24 H new ATOM 0 HE22 GLN A 443 -1.206 19.452 -8.016 1.00 62.24 H new ATOM 985 N TRP A 444 -4.019 12.491 -9.614 1.00 34.32 N ATOM 986 CA TRP A 444 -3.647 11.051 -9.549 1.00 62.51 C ATOM 987 C TRP A 444 -4.007 10.328 -10.885 1.00 32.31 C ATOM 988 O TRP A 444 -4.901 10.786 -11.613 1.00 73.24 O ATOM 989 CB TRP A 444 -4.374 10.357 -8.352 1.00 25.44 C ATOM 990 CG TRP A 444 -3.936 10.798 -6.965 1.00 3.42 C ATOM 991 CD1 TRP A 444 -3.318 11.967 -6.605 1.00 12.34 C ATOM 992 CD2 TRP A 444 -4.121 10.063 -5.743 1.00 74.14 C ATOM 993 NE1 TRP A 444 -3.102 11.996 -5.251 1.00 51.33 N ATOM 994 CE2 TRP A 444 -3.586 10.841 -4.698 1.00 62.33 C ATOM 995 CE3 TRP A 444 -4.683 8.817 -5.436 1.00 74.42 C ATOM 996 CZ2 TRP A 444 -3.597 10.417 -3.372 1.00 0.14 C ATOM 997 CZ3 TRP A 444 -4.699 8.398 -4.117 1.00 3.30 C ATOM 998 CH2 TRP A 444 -4.160 9.199 -3.095 1.00 63.44 C ATOM 0 H TRP A 444 -4.932 12.692 -9.207 1.00 34.32 H new ATOM 0 HA TRP A 444 -2.570 10.982 -9.397 1.00 62.51 H new ATOM 0 HB2 TRP A 444 -5.445 10.537 -8.448 1.00 25.44 H new ATOM 0 HB3 TRP A 444 -4.223 9.281 -8.435 1.00 25.44 H new ATOM 0 HD1 TRP A 444 -3.040 12.754 -7.291 1.00 12.34 H new ATOM 0 HE1 TRP A 444 -2.653 12.755 -4.739 1.00 51.33 H new ATOM 0 HE3 TRP A 444 -5.097 8.194 -6.215 1.00 74.42 H new ATOM 0 HZ2 TRP A 444 -3.176 11.028 -2.588 1.00 0.14 H new ATOM 0 HZ3 TRP A 444 -5.132 7.440 -3.869 1.00 3.30 H new ATOM 0 HH2 TRP A 444 -4.190 8.848 -2.074 1.00 63.44 H new ATOM 1009 N PRO A 445 -3.313 9.183 -11.231 1.00 33.44 N ATOM 1010 CA PRO A 445 -3.620 8.383 -12.455 1.00 4.44 C ATOM 1011 C PRO A 445 -4.944 7.573 -12.340 1.00 72.31 C ATOM 1012 O PRO A 445 -5.729 7.767 -11.408 1.00 72.02 O ATOM 1013 CB PRO A 445 -2.384 7.424 -12.587 1.00 14.13 C ATOM 1014 CG PRO A 445 -1.378 7.910 -11.576 1.00 4.13 C ATOM 1015 CD PRO A 445 -2.174 8.584 -10.485 1.00 74.00 C ATOM 0 HA PRO A 445 -3.773 9.023 -13.324 1.00 4.44 H new ATOM 0 HB2 PRO A 445 -2.668 6.390 -12.390 1.00 14.13 H new ATOM 0 HB3 PRO A 445 -1.971 7.455 -13.595 1.00 14.13 H new ATOM 0 HG2 PRO A 445 -0.794 7.080 -11.177 1.00 4.13 H new ATOM 0 HG3 PRO A 445 -0.673 8.606 -12.031 1.00 4.13 H new ATOM 0 HD2 PRO A 445 -2.513 7.872 -9.733 1.00 74.00 H new ATOM 0 HD3 PRO A 445 -1.587 9.342 -9.965 1.00 74.00 H new ATOM 1023 N GLN A 446 -5.186 6.675 -13.319 1.00 73.21 N ATOM 1024 CA GLN A 446 -6.282 5.682 -13.249 1.00 41.45 C ATOM 1025 C GLN A 446 -5.834 4.441 -12.439 1.00 73.32 C ATOM 1026 O GLN A 446 -6.651 3.778 -11.801 1.00 54.44 O ATOM 1027 CB GLN A 446 -6.737 5.238 -14.676 1.00 60.51 C ATOM 1028 CG GLN A 446 -5.695 4.418 -15.478 1.00 71.40 C ATOM 1029 CD GLN A 446 -6.249 3.856 -16.788 1.00 71.21 C ATOM 1030 OE1 GLN A 446 -6.159 4.476 -17.837 1.00 33.24 O ATOM 1031 NE2 GLN A 446 -6.832 2.675 -16.737 1.00 22.30 N ATOM 0 H GLN A 446 -4.633 6.617 -14.174 1.00 73.21 H new ATOM 0 HA GLN A 446 -7.126 6.157 -12.749 1.00 41.45 H new ATOM 0 HB2 GLN A 446 -7.647 4.645 -14.581 1.00 60.51 H new ATOM 0 HB3 GLN A 446 -6.995 6.128 -15.250 1.00 60.51 H new ATOM 0 HG2 GLN A 446 -4.835 5.051 -15.697 1.00 71.40 H new ATOM 0 HG3 GLN A 446 -5.336 3.595 -14.860 1.00 71.40 H new ATOM 0 HE21 GLN A 446 -6.896 2.176 -15.850 1.00 22.30 H new ATOM 0 HE22 GLN A 446 -7.220 2.261 -17.585 1.00 22.30 H new ATOM 1040 N LYS A 447 -4.516 4.135 -12.488 1.00 42.12 N ATOM 1041 CA LYS A 447 -3.937 2.925 -11.870 1.00 51.45 C ATOM 1042 C LYS A 447 -2.921 3.278 -10.772 1.00 11.15 C ATOM 1043 O LYS A 447 -2.182 4.263 -10.886 1.00 3.52 O ATOM 1044 CB LYS A 447 -3.244 2.036 -12.945 1.00 1.14 C ATOM 1045 CG LYS A 447 -2.702 0.690 -12.392 1.00 31.15 C ATOM 1046 CD LYS A 447 -1.981 -0.173 -13.450 1.00 33.42 C ATOM 1047 CE LYS A 447 -2.917 -0.664 -14.559 1.00 74.15 C ATOM 1048 NZ LYS A 447 -2.225 -1.579 -15.499 1.00 12.15 N ATOM 0 H LYS A 447 -3.827 4.722 -12.958 1.00 42.12 H new ATOM 0 HA LYS A 447 -4.760 2.374 -11.415 1.00 51.45 H new ATOM 0 HB2 LYS A 447 -3.955 1.829 -13.745 1.00 1.14 H new ATOM 0 HB3 LYS A 447 -2.419 2.594 -13.388 1.00 1.14 H new ATOM 0 HG2 LYS A 447 -2.013 0.896 -11.573 1.00 31.15 H new ATOM 0 HG3 LYS A 447 -3.531 0.119 -11.975 1.00 31.15 H new ATOM 0 HD2 LYS A 447 -1.172 0.407 -13.895 1.00 33.42 H new ATOM 0 HD3 LYS A 447 -1.524 -1.033 -12.960 1.00 33.42 H new ATOM 0 HE2 LYS A 447 -3.770 -1.177 -14.114 1.00 74.15 H new ATOM 0 HE3 LYS A 447 -3.310 0.192 -15.108 1.00 74.15 H new ATOM 0 HZ1 LYS A 447 -2.557 -1.398 -16.468 1.00 12.15 H new ATOM 0 HZ2 LYS A 447 -1.199 -1.417 -15.449 1.00 12.15 H new ATOM 0 HZ3 LYS A 447 -2.433 -2.565 -15.240 1.00 12.15 H new ATOM 1062 N LEU A 448 -2.902 2.448 -9.718 1.00 60.33 N ATOM 1063 CA LEU A 448 -1.883 2.498 -8.644 1.00 32.33 C ATOM 1064 C LEU A 448 -1.089 1.171 -8.605 1.00 42.20 C ATOM 1065 O LEU A 448 -1.637 0.121 -8.259 1.00 24.13 O ATOM 1066 CB LEU A 448 -2.543 2.779 -7.265 1.00 13.43 C ATOM 1067 CG LEU A 448 -3.260 4.157 -7.117 1.00 64.14 C ATOM 1068 CD1 LEU A 448 -3.774 4.377 -5.674 1.00 52.45 C ATOM 1069 CD2 LEU A 448 -2.360 5.321 -7.586 1.00 64.44 C ATOM 0 H LEU A 448 -3.597 1.715 -9.581 1.00 60.33 H new ATOM 0 HA LEU A 448 -1.194 3.315 -8.859 1.00 32.33 H new ATOM 0 HB2 LEU A 448 -3.269 1.991 -7.065 1.00 13.43 H new ATOM 0 HB3 LEU A 448 -1.774 2.707 -6.495 1.00 13.43 H new ATOM 0 HG LEU A 448 -4.131 4.141 -7.772 1.00 64.14 H new ATOM 0 HD11 LEU A 448 -4.268 5.346 -5.607 1.00 52.45 H new ATOM 0 HD12 LEU A 448 -4.483 3.590 -5.416 1.00 52.45 H new ATOM 0 HD13 LEU A 448 -2.934 4.350 -4.980 1.00 52.45 H new ATOM 0 HD21 LEU A 448 -2.894 6.264 -7.468 1.00 64.44 H new ATOM 0 HD22 LEU A 448 -1.450 5.342 -6.987 1.00 64.44 H new ATOM 0 HD23 LEU A 448 -2.100 5.180 -8.635 1.00 64.44 H new ATOM 1081 N ILE A 449 0.202 1.237 -8.978 1.00 15.15 N ATOM 1082 CA ILE A 449 1.106 0.066 -9.014 1.00 23.11 C ATOM 1083 C ILE A 449 1.719 -0.153 -7.606 1.00 3.33 C ATOM 1084 O ILE A 449 2.258 0.782 -7.003 1.00 34.31 O ATOM 1085 CB ILE A 449 2.255 0.217 -10.105 1.00 12.43 C ATOM 1086 CG1 ILE A 449 1.672 0.274 -11.573 1.00 74.33 C ATOM 1087 CG2 ILE A 449 3.309 -0.926 -9.982 1.00 73.53 C ATOM 1088 CD1 ILE A 449 0.923 1.550 -11.953 1.00 33.43 C ATOM 0 H ILE A 449 0.652 2.106 -9.265 1.00 15.15 H new ATOM 0 HA ILE A 449 0.515 -0.804 -9.302 1.00 23.11 H new ATOM 0 HB ILE A 449 2.753 1.166 -9.908 1.00 12.43 H new ATOM 0 HG12 ILE A 449 2.496 0.139 -12.274 1.00 74.33 H new ATOM 0 HG13 ILE A 449 0.997 -0.572 -11.707 1.00 74.33 H new ATOM 0 HG21 ILE A 449 4.080 -0.793 -10.741 1.00 73.53 H new ATOM 0 HG22 ILE A 449 3.765 -0.895 -8.993 1.00 73.53 H new ATOM 0 HG23 ILE A 449 2.820 -1.889 -10.126 1.00 73.53 H new ATOM 0 HD11 ILE A 449 0.570 1.472 -12.981 1.00 33.43 H new ATOM 0 HD12 ILE A 449 0.071 1.684 -11.286 1.00 33.43 H new ATOM 0 HD13 ILE A 449 1.592 2.405 -11.863 1.00 33.43 H new ATOM 1100 N MET A 450 1.645 -1.397 -7.107 1.00 72.52 N ATOM 1101 CA MET A 450 2.009 -1.738 -5.723 1.00 64.42 C ATOM 1102 C MET A 450 3.105 -2.834 -5.665 1.00 22.41 C ATOM 1103 O MET A 450 2.911 -3.955 -6.154 1.00 61.20 O ATOM 1104 CB MET A 450 0.730 -2.187 -4.972 1.00 43.01 C ATOM 1105 CG MET A 450 0.953 -2.500 -3.495 1.00 62.24 C ATOM 1106 SD MET A 450 -0.579 -2.729 -2.569 1.00 23.03 S ATOM 1107 CE MET A 450 -1.264 -4.191 -3.336 1.00 54.41 C ATOM 0 H MET A 450 1.330 -2.198 -7.655 1.00 72.52 H new ATOM 0 HA MET A 450 2.431 -0.857 -5.240 1.00 64.42 H new ATOM 0 HB2 MET A 450 -0.022 -1.403 -5.057 1.00 43.01 H new ATOM 0 HB3 MET A 450 0.325 -3.072 -5.463 1.00 43.01 H new ATOM 0 HG2 MET A 450 1.558 -3.403 -3.410 1.00 62.24 H new ATOM 0 HG3 MET A 450 1.524 -1.690 -3.042 1.00 62.24 H new ATOM 0 HE1 MET A 450 -1.939 -4.686 -2.638 1.00 54.41 H new ATOM 0 HE2 MET A 450 -1.814 -3.907 -4.233 1.00 54.41 H new ATOM 0 HE3 MET A 450 -0.457 -4.872 -3.606 1.00 54.41 H new ATOM 1117 N GLN A 451 4.264 -2.482 -5.076 1.00 40.31 N ATOM 1118 CA GLN A 451 5.369 -3.431 -4.811 1.00 20.43 C ATOM 1119 C GLN A 451 5.164 -4.116 -3.435 1.00 31.20 C ATOM 1120 O GLN A 451 5.273 -3.465 -2.386 1.00 10.32 O ATOM 1121 CB GLN A 451 6.734 -2.679 -4.855 1.00 44.05 C ATOM 1122 CG GLN A 451 7.978 -3.580 -4.643 1.00 64.01 C ATOM 1123 CD GLN A 451 9.311 -2.824 -4.762 1.00 20.14 C ATOM 1124 OE1 GLN A 451 9.884 -2.715 -5.840 1.00 75.01 O ATOM 1125 NE2 GLN A 451 9.821 -2.303 -3.659 1.00 13.45 N ATOM 0 H GLN A 451 4.463 -1.530 -4.769 1.00 40.31 H new ATOM 0 HA GLN A 451 5.372 -4.203 -5.581 1.00 20.43 H new ATOM 0 HB2 GLN A 451 6.826 -2.177 -5.818 1.00 44.05 H new ATOM 0 HB3 GLN A 451 6.730 -1.902 -4.090 1.00 44.05 H new ATOM 0 HG2 GLN A 451 7.918 -4.042 -3.658 1.00 64.01 H new ATOM 0 HG3 GLN A 451 7.961 -4.387 -5.375 1.00 64.01 H new ATOM 0 HE21 GLN A 451 9.328 -2.405 -2.772 1.00 13.45 H new ATOM 0 HE22 GLN A 451 10.707 -1.799 -3.695 1.00 13.45 H new ATOM 1134 N LEU A 452 4.855 -5.428 -3.448 1.00 45.23 N ATOM 1135 CA LEU A 452 4.621 -6.206 -2.213 1.00 20.11 C ATOM 1136 C LEU A 452 5.948 -6.673 -1.585 1.00 1.11 C ATOM 1137 O LEU A 452 6.589 -7.613 -2.065 1.00 14.12 O ATOM 1138 CB LEU A 452 3.703 -7.414 -2.505 1.00 4.51 C ATOM 1139 CG LEU A 452 2.233 -7.060 -2.879 1.00 32.35 C ATOM 1140 CD1 LEU A 452 1.468 -8.315 -3.298 1.00 55.52 C ATOM 1141 CD2 LEU A 452 1.513 -6.341 -1.712 1.00 32.31 C ATOM 0 H LEU A 452 4.761 -5.974 -4.304 1.00 45.23 H new ATOM 0 HA LEU A 452 4.125 -5.554 -1.494 1.00 20.11 H new ATOM 0 HB2 LEU A 452 4.139 -7.991 -3.321 1.00 4.51 H new ATOM 0 HB3 LEU A 452 3.691 -8.061 -1.628 1.00 4.51 H new ATOM 0 HG LEU A 452 2.259 -6.373 -3.725 1.00 32.35 H new ATOM 0 HD11 LEU A 452 0.443 -8.047 -3.555 1.00 55.52 H new ATOM 0 HD12 LEU A 452 1.954 -8.765 -4.164 1.00 55.52 H new ATOM 0 HD13 LEU A 452 1.461 -9.029 -2.474 1.00 55.52 H new ATOM 0 HD21 LEU A 452 0.489 -6.107 -2.005 1.00 32.31 H new ATOM 0 HD22 LEU A 452 1.501 -6.990 -0.837 1.00 32.31 H new ATOM 0 HD23 LEU A 452 2.041 -5.418 -1.472 1.00 32.31 H new ATOM 1153 N ILE A 453 6.326 -6.012 -0.493 1.00 22.41 N ATOM 1154 CA ILE A 453 7.561 -6.291 0.260 1.00 63.31 C ATOM 1155 C ILE A 453 7.202 -6.894 1.644 1.00 43.35 C ATOM 1156 O ILE A 453 6.132 -6.589 2.194 1.00 53.23 O ATOM 1157 CB ILE A 453 8.433 -4.983 0.433 1.00 34.35 C ATOM 1158 CG1 ILE A 453 7.627 -3.861 1.166 1.00 43.00 C ATOM 1159 CG2 ILE A 453 8.971 -4.489 -0.938 1.00 75.45 C ATOM 1160 CD1 ILE A 453 8.384 -2.560 1.389 1.00 10.34 C ATOM 0 H ILE A 453 5.776 -5.251 -0.094 1.00 22.41 H new ATOM 0 HA ILE A 453 8.156 -7.011 -0.302 1.00 63.31 H new ATOM 0 HB ILE A 453 9.292 -5.231 1.057 1.00 34.35 H new ATOM 0 HG12 ILE A 453 6.728 -3.645 0.589 1.00 43.00 H new ATOM 0 HG13 ILE A 453 7.300 -4.243 2.133 1.00 43.00 H new ATOM 0 HG21 ILE A 453 9.567 -3.588 -0.792 1.00 75.45 H new ATOM 0 HG22 ILE A 453 9.590 -5.265 -1.387 1.00 75.45 H new ATOM 0 HG23 ILE A 453 8.133 -4.266 -1.599 1.00 75.45 H new ATOM 0 HD11 ILE A 453 7.739 -1.848 1.904 1.00 10.34 H new ATOM 0 HD12 ILE A 453 9.269 -2.753 1.996 1.00 10.34 H new ATOM 0 HD13 ILE A 453 8.687 -2.146 0.427 1.00 10.34 H new ATOM 1172 N PRO A 454 8.073 -7.786 2.220 1.00 4.12 N ATOM 1173 CA PRO A 454 7.821 -8.408 3.547 1.00 40.40 C ATOM 1174 C PRO A 454 7.782 -7.355 4.690 1.00 52.44 C ATOM 1175 O PRO A 454 8.668 -6.496 4.799 1.00 25.04 O ATOM 1176 CB PRO A 454 8.996 -9.412 3.703 1.00 23.32 C ATOM 1177 CG PRO A 454 10.070 -8.871 2.812 1.00 40.21 C ATOM 1178 CD PRO A 454 9.354 -8.260 1.628 1.00 24.52 C ATOM 0 HA PRO A 454 6.847 -8.894 3.608 1.00 40.40 H new ATOM 0 HB2 PRO A 454 9.332 -9.473 4.738 1.00 23.32 H new ATOM 0 HB3 PRO A 454 8.701 -10.418 3.404 1.00 23.32 H new ATOM 0 HG2 PRO A 454 10.671 -8.126 3.333 1.00 40.21 H new ATOM 0 HG3 PRO A 454 10.749 -9.662 2.493 1.00 40.21 H new ATOM 0 HD2 PRO A 454 9.924 -7.440 1.190 1.00 24.52 H new ATOM 0 HD3 PRO A 454 9.187 -8.990 0.836 1.00 24.52 H new ATOM 1186 N GLN A 455 6.740 -7.451 5.536 1.00 54.32 N ATOM 1187 CA GLN A 455 6.438 -6.463 6.600 1.00 4.13 C ATOM 1188 C GLN A 455 7.542 -6.409 7.700 1.00 11.24 C ATOM 1189 O GLN A 455 7.659 -5.414 8.428 1.00 3.12 O ATOM 1190 CB GLN A 455 5.053 -6.799 7.220 1.00 33.22 C ATOM 1191 CG GLN A 455 4.477 -5.707 8.145 1.00 25.45 C ATOM 1192 CD GLN A 455 3.135 -6.078 8.787 1.00 22.31 C ATOM 1193 OE1 GLN A 455 2.845 -7.245 9.036 1.00 41.53 O ATOM 1194 NE2 GLN A 455 2.305 -5.087 9.058 1.00 34.23 N ATOM 0 H GLN A 455 6.074 -8.223 5.504 1.00 54.32 H new ATOM 0 HA GLN A 455 6.414 -5.472 6.148 1.00 4.13 H new ATOM 0 HB2 GLN A 455 4.344 -6.983 6.413 1.00 33.22 H new ATOM 0 HB3 GLN A 455 5.139 -7.727 7.786 1.00 33.22 H new ATOM 0 HG2 GLN A 455 5.199 -5.495 8.934 1.00 25.45 H new ATOM 0 HG3 GLN A 455 4.352 -4.788 7.572 1.00 25.45 H new ATOM 0 HE21 GLN A 455 2.570 -4.126 8.841 1.00 34.23 H new ATOM 0 HE22 GLN A 455 1.399 -5.283 9.484 1.00 34.23 H new ATOM 1203 N GLN A 456 8.357 -7.480 7.792 1.00 51.22 N ATOM 1204 CA GLN A 456 9.521 -7.548 8.710 1.00 14.15 C ATOM 1205 C GLN A 456 10.581 -6.450 8.392 1.00 52.13 C ATOM 1206 O GLN A 456 11.265 -5.965 9.293 1.00 60.10 O ATOM 1207 CB GLN A 456 10.166 -8.963 8.647 1.00 45.13 C ATOM 1208 CG GLN A 456 11.332 -9.225 9.643 1.00 13.50 C ATOM 1209 CD GLN A 456 10.926 -9.270 11.136 1.00 44.11 C ATOM 1210 OE1 GLN A 456 10.006 -8.590 11.586 1.00 24.21 O ATOM 1211 NE2 GLN A 456 11.605 -10.093 11.915 1.00 61.42 N ATOM 0 H GLN A 456 8.230 -8.324 7.233 1.00 51.22 H new ATOM 0 HA GLN A 456 9.158 -7.362 9.721 1.00 14.15 H new ATOM 0 HB2 GLN A 456 9.387 -9.704 8.827 1.00 45.13 H new ATOM 0 HB3 GLN A 456 10.535 -9.128 7.635 1.00 45.13 H new ATOM 0 HG2 GLN A 456 11.805 -10.172 9.383 1.00 13.50 H new ATOM 0 HG3 GLN A 456 12.083 -8.447 9.511 1.00 13.50 H new ATOM 0 HE21 GLN A 456 12.366 -10.651 11.527 1.00 61.42 H new ATOM 0 HE22 GLN A 456 11.368 -10.171 12.904 1.00 61.42 H new ATOM 1220 N LEU A 457 10.698 -6.066 7.103 1.00 31.14 N ATOM 1221 CA LEU A 457 11.614 -4.977 6.659 1.00 71.45 C ATOM 1222 C LEU A 457 11.096 -3.581 7.088 1.00 35.34 C ATOM 1223 O LEU A 457 11.884 -2.666 7.310 1.00 70.15 O ATOM 1224 CB LEU A 457 11.802 -5.018 5.117 1.00 73.44 C ATOM 1225 CG LEU A 457 12.398 -6.337 4.531 1.00 72.02 C ATOM 1226 CD1 LEU A 457 12.605 -6.226 3.001 1.00 73.14 C ATOM 1227 CD2 LEU A 457 13.703 -6.739 5.257 1.00 21.32 C ATOM 0 H LEU A 457 10.169 -6.493 6.343 1.00 31.14 H new ATOM 0 HA LEU A 457 12.576 -5.144 7.144 1.00 71.45 H new ATOM 0 HB2 LEU A 457 10.834 -4.842 4.649 1.00 73.44 H new ATOM 0 HB3 LEU A 457 12.451 -4.191 4.829 1.00 73.44 H new ATOM 0 HG LEU A 457 11.675 -7.134 4.705 1.00 72.02 H new ATOM 0 HD11 LEU A 457 13.021 -7.159 2.621 1.00 73.14 H new ATOM 0 HD12 LEU A 457 11.648 -6.032 2.517 1.00 73.14 H new ATOM 0 HD13 LEU A 457 13.292 -5.408 2.785 1.00 73.14 H new ATOM 0 HD21 LEU A 457 14.091 -7.661 4.824 1.00 21.32 H new ATOM 0 HD22 LEU A 457 14.442 -5.946 5.143 1.00 21.32 H new ATOM 0 HD23 LEU A 457 13.497 -6.894 6.316 1.00 21.32 H new ATOM 1239 N LEU A 458 9.761 -3.448 7.209 1.00 72.03 N ATOM 1240 CA LEU A 458 9.093 -2.166 7.586 1.00 14.21 C ATOM 1241 C LEU A 458 9.377 -1.717 9.035 1.00 1.14 C ATOM 1242 O LEU A 458 9.153 -0.550 9.372 1.00 32.31 O ATOM 1243 CB LEU A 458 7.572 -2.267 7.385 1.00 25.23 C ATOM 1244 CG LEU A 458 7.088 -2.506 5.932 1.00 73.21 C ATOM 1245 CD1 LEU A 458 5.554 -2.468 5.880 1.00 2.42 C ATOM 1246 CD2 LEU A 458 7.722 -1.487 4.951 1.00 53.13 C ATOM 0 H LEU A 458 9.109 -4.216 7.051 1.00 72.03 H new ATOM 0 HA LEU A 458 9.519 -1.412 6.924 1.00 14.21 H new ATOM 0 HB2 LEU A 458 7.197 -3.078 8.009 1.00 25.23 H new ATOM 0 HB3 LEU A 458 7.116 -1.347 7.751 1.00 25.23 H new ATOM 0 HG LEU A 458 7.417 -3.495 5.612 1.00 73.21 H new ATOM 0 HD11 LEU A 458 5.220 -2.637 4.856 1.00 2.42 H new ATOM 0 HD12 LEU A 458 5.149 -3.246 6.527 1.00 2.42 H new ATOM 0 HD13 LEU A 458 5.202 -1.494 6.220 1.00 2.42 H new ATOM 0 HD21 LEU A 458 7.362 -1.682 3.941 1.00 53.13 H new ATOM 0 HD22 LEU A 458 7.443 -0.476 5.247 1.00 53.13 H new ATOM 0 HD23 LEU A 458 8.807 -1.586 4.975 1.00 53.13 H new ATOM 1258 N THR A 459 9.827 -2.652 9.886 1.00 44.03 N ATOM 1259 CA THR A 459 10.204 -2.359 11.294 1.00 45.31 C ATOM 1260 C THR A 459 11.347 -1.309 11.380 1.00 51.12 C ATOM 1261 O THR A 459 11.460 -0.577 12.373 1.00 44.40 O ATOM 1262 CB THR A 459 10.645 -3.662 12.031 1.00 15.51 C ATOM 1263 OG1 THR A 459 11.827 -4.201 11.406 1.00 75.34 O ATOM 1264 CG2 THR A 459 9.525 -4.728 12.028 1.00 43.23 C ATOM 0 H THR A 459 9.943 -3.632 9.627 1.00 44.03 H new ATOM 0 HA THR A 459 9.320 -1.946 11.779 1.00 45.31 H new ATOM 0 HB THR A 459 10.859 -3.401 13.068 1.00 15.51 H new ATOM 0 HG1 THR A 459 11.566 -4.807 10.681 1.00 75.34 H new ATOM 0 HG21 THR A 459 9.870 -5.620 12.550 1.00 43.23 H new ATOM 0 HG22 THR A 459 8.644 -4.331 12.532 1.00 43.23 H new ATOM 0 HG23 THR A 459 9.270 -4.985 11.000 1.00 43.23 H new ATOM 1272 N THR A 460 12.172 -1.241 10.311 1.00 24.34 N ATOM 1273 CA THR A 460 13.247 -0.227 10.165 1.00 45.52 C ATOM 1274 C THR A 460 12.656 1.188 9.931 1.00 12.20 C ATOM 1275 O THR A 460 13.233 2.190 10.364 1.00 2.25 O ATOM 1276 CB THR A 460 14.221 -0.574 8.983 1.00 13.22 C ATOM 1277 OG1 THR A 460 13.547 -0.430 7.712 1.00 24.14 O ATOM 1278 CG2 THR A 460 14.784 -2.006 9.109 1.00 41.41 C ATOM 0 H THR A 460 12.113 -1.887 9.524 1.00 24.34 H new ATOM 0 HA THR A 460 13.809 -0.237 11.099 1.00 45.52 H new ATOM 0 HB THR A 460 15.054 0.127 9.035 1.00 13.22 H new ATOM 0 HG1 THR A 460 12.966 -1.204 7.560 1.00 24.14 H new ATOM 0 HG21 THR A 460 15.453 -2.209 8.273 1.00 41.41 H new ATOM 0 HG22 THR A 460 15.334 -2.100 10.045 1.00 41.41 H new ATOM 0 HG23 THR A 460 13.962 -2.722 9.098 1.00 41.41 H new ATOM 1286 N LEU A 461 11.483 1.244 9.256 1.00 14.53 N ATOM 1287 CA LEU A 461 10.776 2.513 8.937 1.00 2.22 C ATOM 1288 C LEU A 461 9.678 2.826 9.983 1.00 73.04 C ATOM 1289 O LEU A 461 8.777 3.618 9.701 1.00 50.13 O ATOM 1290 CB LEU A 461 10.120 2.446 7.522 1.00 62.32 C ATOM 1291 CG LEU A 461 11.011 1.931 6.345 1.00 53.34 C ATOM 1292 CD1 LEU A 461 10.255 2.007 4.998 1.00 34.34 C ATOM 1293 CD2 LEU A 461 12.361 2.673 6.284 1.00 71.34 C ATOM 0 H LEU A 461 10.999 0.413 8.917 1.00 14.53 H new ATOM 0 HA LEU A 461 11.523 3.306 8.956 1.00 2.22 H new ATOM 0 HB2 LEU A 461 9.242 1.804 7.587 1.00 62.32 H new ATOM 0 HB3 LEU A 461 9.766 3.445 7.266 1.00 62.32 H new ATOM 0 HG LEU A 461 11.234 0.882 6.538 1.00 53.34 H new ATOM 0 HD11 LEU A 461 10.899 1.642 4.198 1.00 34.34 H new ATOM 0 HD12 LEU A 461 9.357 1.391 5.050 1.00 34.34 H new ATOM 0 HD13 LEU A 461 9.975 3.041 4.796 1.00 34.34 H new ATOM 0 HD21 LEU A 461 12.951 2.287 5.453 1.00 71.34 H new ATOM 0 HD22 LEU A 461 12.184 3.739 6.139 1.00 71.34 H new ATOM 0 HD23 LEU A 461 12.903 2.519 7.217 1.00 71.34 H new ATOM 1305 N GLY A 462 9.779 2.215 11.183 1.00 2.33 N ATOM 1306 CA GLY A 462 8.812 2.415 12.287 1.00 43.13 C ATOM 1307 C GLY A 462 8.377 3.884 12.526 1.00 14.21 C ATOM 1308 O GLY A 462 7.177 4.167 12.501 1.00 42.45 O ATOM 0 H GLY A 462 10.533 1.569 11.415 1.00 2.33 H new ATOM 0 HA2 GLY A 462 7.923 1.818 12.082 1.00 43.13 H new ATOM 0 HA3 GLY A 462 9.250 2.028 13.207 1.00 43.13 H new ATOM 1312 N PRO A 463 9.338 4.851 12.740 1.00 3.12 N ATOM 1313 CA PRO A 463 9.023 6.308 12.832 1.00 25.11 C ATOM 1314 C PRO A 463 8.298 6.892 11.587 1.00 1.04 C ATOM 1315 O PRO A 463 7.435 7.752 11.731 1.00 51.23 O ATOM 1316 CB PRO A 463 10.410 6.975 13.024 1.00 13.30 C ATOM 1317 CG PRO A 463 11.266 5.893 13.611 1.00 11.01 C ATOM 1318 CD PRO A 463 10.791 4.609 12.962 1.00 23.22 C ATOM 0 HA PRO A 463 8.321 6.495 13.644 1.00 25.11 H new ATOM 0 HB2 PRO A 463 10.814 7.331 12.076 1.00 13.30 H new ATOM 0 HB3 PRO A 463 10.348 7.837 13.688 1.00 13.30 H new ATOM 0 HG2 PRO A 463 12.321 6.071 13.404 1.00 11.01 H new ATOM 0 HG3 PRO A 463 11.157 5.850 14.695 1.00 11.01 H new ATOM 0 HD2 PRO A 463 11.314 4.415 12.025 1.00 23.22 H new ATOM 0 HD3 PRO A 463 10.961 3.746 13.606 1.00 23.22 H new ATOM 1326 N LEU A 464 8.656 6.406 10.374 1.00 74.32 N ATOM 1327 CA LEU A 464 8.041 6.867 9.096 1.00 22.42 C ATOM 1328 C LEU A 464 6.533 6.506 9.002 1.00 13.32 C ATOM 1329 O LEU A 464 5.755 7.218 8.358 1.00 3.01 O ATOM 1330 CB LEU A 464 8.824 6.311 7.874 1.00 74.04 C ATOM 1331 CG LEU A 464 10.295 6.828 7.729 1.00 23.43 C ATOM 1332 CD1 LEU A 464 11.012 6.168 6.535 1.00 11.14 C ATOM 1333 CD2 LEU A 464 10.336 8.376 7.627 1.00 34.05 C ATOM 0 H LEU A 464 9.372 5.690 10.249 1.00 74.32 H new ATOM 0 HA LEU A 464 8.107 7.955 9.084 1.00 22.42 H new ATOM 0 HB2 LEU A 464 8.844 5.223 7.941 1.00 74.04 H new ATOM 0 HB3 LEU A 464 8.276 6.565 6.966 1.00 74.04 H new ATOM 0 HG LEU A 464 10.835 6.540 8.631 1.00 23.43 H new ATOM 0 HD11 LEU A 464 12.030 6.551 6.465 1.00 11.14 H new ATOM 0 HD12 LEU A 464 11.039 5.088 6.679 1.00 11.14 H new ATOM 0 HD13 LEU A 464 10.474 6.398 5.615 1.00 11.14 H new ATOM 0 HD21 LEU A 464 11.370 8.707 7.527 1.00 34.05 H new ATOM 0 HD22 LEU A 464 9.766 8.698 6.756 1.00 34.05 H new ATOM 0 HD23 LEU A 464 9.901 8.812 8.527 1.00 34.05 H new ATOM 1345 N PHE A 465 6.131 5.403 9.662 1.00 62.12 N ATOM 1346 CA PHE A 465 4.706 5.007 9.788 1.00 44.42 C ATOM 1347 C PHE A 465 3.980 5.852 10.847 1.00 11.42 C ATOM 1348 O PHE A 465 2.804 6.186 10.688 1.00 33.10 O ATOM 1349 CB PHE A 465 4.586 3.502 10.122 1.00 61.10 C ATOM 1350 CG PHE A 465 5.000 2.616 8.962 1.00 63.21 C ATOM 1351 CD1 PHE A 465 4.132 2.425 7.898 1.00 41.22 C ATOM 1352 CD2 PHE A 465 6.250 2.009 8.905 1.00 13.21 C ATOM 1353 CE1 PHE A 465 4.486 1.656 6.824 1.00 34.25 C ATOM 1354 CE2 PHE A 465 6.607 1.241 7.819 1.00 13.21 C ATOM 1355 CZ PHE A 465 5.720 1.067 6.781 1.00 73.41 C ATOM 0 H PHE A 465 6.777 4.761 10.122 1.00 62.12 H new ATOM 0 HA PHE A 465 4.225 5.191 8.827 1.00 44.42 H new ATOM 0 HB2 PHE A 465 5.207 3.275 10.989 1.00 61.10 H new ATOM 0 HB3 PHE A 465 3.556 3.275 10.399 1.00 61.10 H new ATOM 0 HD1 PHE A 465 3.158 2.892 7.918 1.00 41.22 H new ATOM 0 HD2 PHE A 465 6.947 2.141 9.719 1.00 13.21 H new ATOM 0 HE1 PHE A 465 3.791 1.514 6.010 1.00 34.25 H new ATOM 0 HE2 PHE A 465 7.581 0.776 7.782 1.00 13.21 H new ATOM 0 HZ PHE A 465 5.999 0.464 5.930 1.00 73.41 H new ATOM 1365 N ARG A 466 4.701 6.201 11.923 1.00 75.03 N ATOM 1366 CA ARG A 466 4.158 7.053 13.007 1.00 43.52 C ATOM 1367 C ARG A 466 4.298 8.564 12.661 1.00 53.15 C ATOM 1368 O ARG A 466 3.928 9.430 13.457 1.00 3.32 O ATOM 1369 CB ARG A 466 4.864 6.702 14.349 1.00 4.34 C ATOM 1370 CG ARG A 466 4.911 5.178 14.643 1.00 13.10 C ATOM 1371 CD ARG A 466 5.359 4.826 16.070 1.00 62.12 C ATOM 1372 NE ARG A 466 6.706 5.326 16.400 1.00 71.21 N ATOM 1373 CZ ARG A 466 7.384 5.015 17.487 1.00 23.12 C ATOM 1374 NH1 ARG A 466 6.929 4.144 18.337 1.00 71.44 N ATOM 1375 NH2 ARG A 466 8.524 5.574 17.712 1.00 51.12 N ATOM 0 H ARG A 466 5.667 5.908 12.072 1.00 75.03 H new ATOM 0 HA ARG A 466 3.092 6.853 13.114 1.00 43.52 H new ATOM 0 HB2 ARG A 466 5.882 7.092 14.328 1.00 4.34 H new ATOM 0 HB3 ARG A 466 4.347 7.206 15.165 1.00 4.34 H new ATOM 0 HG2 ARG A 466 3.921 4.755 14.470 1.00 13.10 H new ATOM 0 HG3 ARG A 466 5.589 4.703 13.934 1.00 13.10 H new ATOM 0 HD2 ARG A 466 4.642 5.238 16.780 1.00 62.12 H new ATOM 0 HD3 ARG A 466 5.341 3.743 16.192 1.00 62.12 H new ATOM 0 HE ARG A 466 7.148 5.962 15.736 1.00 71.21 H new ATOM 0 HH11 ARG A 466 6.032 3.688 18.169 1.00 71.44 H new ATOM 0 HH12 ARG A 466 7.468 3.917 19.172 1.00 71.44 H new ATOM 0 HH21 ARG A 466 8.898 6.254 17.050 1.00 51.12 H new ATOM 0 HH22 ARG A 466 9.052 5.336 18.552 1.00 51.12 H new ATOM 1389 N ASN A 467 4.830 8.864 11.457 1.00 33.43 N ATOM 1390 CA ASN A 467 4.955 10.237 10.933 1.00 34.52 C ATOM 1391 C ASN A 467 4.412 10.272 9.476 1.00 61.31 C ATOM 1392 O ASN A 467 5.158 10.478 8.504 1.00 60.50 O ATOM 1393 CB ASN A 467 6.442 10.699 11.025 1.00 22.32 C ATOM 1394 CG ASN A 467 6.613 12.207 10.874 1.00 24.42 C ATOM 1395 OD1 ASN A 467 6.592 12.949 11.847 1.00 72.52 O ATOM 1396 ND2 ASN A 467 6.796 12.675 9.662 1.00 24.11 N ATOM 0 H ASN A 467 5.187 8.153 10.818 1.00 33.43 H new ATOM 0 HA ASN A 467 4.364 10.934 11.528 1.00 34.52 H new ATOM 0 HB2 ASN A 467 6.854 10.387 11.985 1.00 22.32 H new ATOM 0 HB3 ASN A 467 7.021 10.195 10.251 1.00 22.32 H new ATOM 0 HD21 ASN A 467 6.925 13.676 9.516 1.00 24.11 H new ATOM 0 HD22 ASN A 467 6.810 12.038 8.866 1.00 24.11 H new ATOM 1403 N SER A 468 3.095 10.024 9.348 1.00 75.32 N ATOM 1404 CA SER A 468 2.379 9.969 8.045 1.00 22.41 C ATOM 1405 C SER A 468 0.863 10.151 8.264 1.00 0.14 C ATOM 1406 O SER A 468 0.368 9.969 9.382 1.00 1.42 O ATOM 1407 CB SER A 468 2.650 8.615 7.334 1.00 31.53 C ATOM 1408 OG SER A 468 2.196 7.518 8.110 1.00 34.50 O ATOM 0 H SER A 468 2.487 9.854 10.149 1.00 75.32 H new ATOM 0 HA SER A 468 2.748 10.777 7.414 1.00 22.41 H new ATOM 0 HB2 SER A 468 2.152 8.606 6.364 1.00 31.53 H new ATOM 0 HB3 SER A 468 3.718 8.510 7.145 1.00 31.53 H new ATOM 0 HG SER A 468 2.704 7.477 8.947 1.00 34.50 H new ATOM 1414 N ARG A 469 0.121 10.518 7.200 1.00 44.32 N ATOM 1415 CA ARG A 469 -1.353 10.677 7.286 1.00 15.31 C ATOM 1416 C ARG A 469 -2.076 9.337 7.001 1.00 72.33 C ATOM 1417 O ARG A 469 -1.625 8.539 6.171 1.00 33.11 O ATOM 1418 CB ARG A 469 -1.862 11.777 6.310 1.00 23.44 C ATOM 1419 CG ARG A 469 -1.716 11.436 4.811 1.00 24.13 C ATOM 1420 CD ARG A 469 -2.404 12.456 3.890 1.00 32.15 C ATOM 1421 NE ARG A 469 -3.857 12.535 4.146 1.00 53.30 N ATOM 1422 CZ ARG A 469 -4.552 13.645 4.274 1.00 4.23 C ATOM 1423 NH1 ARG A 469 -3.978 14.807 4.217 1.00 2.13 N ATOM 1424 NH2 ARG A 469 -5.825 13.576 4.485 1.00 50.21 N ATOM 0 H ARG A 469 0.510 10.709 6.277 1.00 44.32 H new ATOM 0 HA ARG A 469 -1.586 10.988 8.304 1.00 15.31 H new ATOM 0 HB2 ARG A 469 -2.913 11.972 6.522 1.00 23.44 H new ATOM 0 HB3 ARG A 469 -1.319 12.700 6.512 1.00 23.44 H new ATOM 0 HG2 ARG A 469 -0.657 11.384 4.558 1.00 24.13 H new ATOM 0 HG3 ARG A 469 -2.137 10.448 4.627 1.00 24.13 H new ATOM 0 HD2 ARG A 469 -1.955 13.438 4.037 1.00 32.15 H new ATOM 0 HD3 ARG A 469 -2.233 12.179 2.850 1.00 32.15 H new ATOM 0 HE ARG A 469 -4.364 11.654 4.231 1.00 53.30 H new ATOM 0 HH11 ARG A 469 -2.971 14.872 4.071 1.00 2.13 H new ATOM 0 HH12 ARG A 469 -4.534 15.656 4.318 1.00 2.13 H new ATOM 0 HH21 ARG A 469 -6.282 12.667 4.551 1.00 50.21 H new ATOM 0 HH22 ARG A 469 -6.372 14.431 4.586 1.00 50.21 H new ATOM 1438 N MET A 470 -3.205 9.110 7.692 1.00 1.13 N ATOM 1439 CA MET A 470 -4.064 7.925 7.478 1.00 61.51 C ATOM 1440 C MET A 470 -5.218 8.247 6.513 1.00 51.53 C ATOM 1441 O MET A 470 -6.040 9.131 6.767 1.00 43.03 O ATOM 1442 CB MET A 470 -4.617 7.386 8.832 1.00 21.21 C ATOM 1443 CG MET A 470 -3.671 6.410 9.524 1.00 35.54 C ATOM 1444 SD MET A 470 -4.185 5.968 11.200 1.00 63.42 S ATOM 1445 CE MET A 470 -2.922 4.770 11.646 1.00 13.45 C ATOM 0 H MET A 470 -3.551 9.740 8.415 1.00 1.13 H new ATOM 0 HA MET A 470 -3.450 7.146 7.026 1.00 61.51 H new ATOM 0 HB2 MET A 470 -4.811 8.227 9.498 1.00 21.21 H new ATOM 0 HB3 MET A 470 -5.572 6.892 8.655 1.00 21.21 H new ATOM 0 HG2 MET A 470 -3.597 5.503 8.925 1.00 35.54 H new ATOM 0 HG3 MET A 470 -2.674 6.849 9.563 1.00 35.54 H new ATOM 0 HE1 MET A 470 -3.106 4.406 12.657 1.00 13.45 H new ATOM 0 HE2 MET A 470 -2.952 3.933 10.948 1.00 13.45 H new ATOM 0 HE3 MET A 470 -1.941 5.243 11.604 1.00 13.45 H new ATOM 1455 N VAL A 471 -5.237 7.517 5.402 1.00 21.21 N ATOM 1456 CA VAL A 471 -6.358 7.483 4.436 1.00 63.05 C ATOM 1457 C VAL A 471 -6.868 6.027 4.330 1.00 15.04 C ATOM 1458 O VAL A 471 -6.126 5.084 4.625 1.00 23.31 O ATOM 1459 CB VAL A 471 -5.951 8.043 3.008 1.00 30.13 C ATOM 1460 CG1 VAL A 471 -5.403 9.490 3.114 1.00 53.34 C ATOM 1461 CG2 VAL A 471 -4.940 7.122 2.272 1.00 2.13 C ATOM 0 H VAL A 471 -4.460 6.914 5.131 1.00 21.21 H new ATOM 0 HA VAL A 471 -7.149 8.138 4.801 1.00 63.05 H new ATOM 0 HB VAL A 471 -6.860 8.059 2.407 1.00 30.13 H new ATOM 0 HG11 VAL A 471 -5.132 9.850 2.122 1.00 53.34 H new ATOM 0 HG12 VAL A 471 -6.169 10.139 3.538 1.00 53.34 H new ATOM 0 HG13 VAL A 471 -4.523 9.500 3.757 1.00 53.34 H new ATOM 0 HG21 VAL A 471 -4.696 7.552 1.301 1.00 2.13 H new ATOM 0 HG22 VAL A 471 -4.031 7.031 2.867 1.00 2.13 H new ATOM 0 HG23 VAL A 471 -5.382 6.136 2.131 1.00 2.13 H new ATOM 1471 N GLN A 472 -8.130 5.840 3.939 1.00 11.53 N ATOM 1472 CA GLN A 472 -8.750 4.497 3.858 1.00 24.03 C ATOM 1473 C GLN A 472 -8.833 4.019 2.394 1.00 73.12 C ATOM 1474 O GLN A 472 -9.301 4.752 1.529 1.00 34.42 O ATOM 1475 CB GLN A 472 -10.160 4.522 4.531 1.00 22.43 C ATOM 1476 CG GLN A 472 -10.892 3.140 4.614 1.00 12.42 C ATOM 1477 CD GLN A 472 -11.943 2.886 3.514 1.00 55.50 C ATOM 1478 OE1 GLN A 472 -11.868 3.418 2.415 1.00 34.42 O ATOM 1479 NE2 GLN A 472 -12.922 2.045 3.802 1.00 64.35 N ATOM 0 H GLN A 472 -8.754 6.601 3.670 1.00 11.53 H new ATOM 0 HA GLN A 472 -8.125 3.785 4.397 1.00 24.03 H new ATOM 0 HB2 GLN A 472 -10.054 4.919 5.541 1.00 22.43 H new ATOM 0 HB3 GLN A 472 -10.794 5.217 3.980 1.00 22.43 H new ATOM 0 HG2 GLN A 472 -10.145 2.348 4.570 1.00 12.42 H new ATOM 0 HG3 GLN A 472 -11.380 3.063 5.585 1.00 12.42 H new ATOM 0 HE21 GLN A 472 -12.967 1.612 4.724 1.00 64.35 H new ATOM 0 HE22 GLN A 472 -13.632 1.830 3.102 1.00 64.35 H new ATOM 1488 N PHE A 473 -8.350 2.792 2.124 1.00 71.33 N ATOM 1489 CA PHE A 473 -8.586 2.101 0.839 1.00 71.12 C ATOM 1490 C PHE A 473 -9.714 1.053 0.997 1.00 44.30 C ATOM 1491 O PHE A 473 -9.538 0.007 1.641 1.00 52.14 O ATOM 1492 CB PHE A 473 -7.287 1.418 0.315 1.00 51.02 C ATOM 1493 CG PHE A 473 -6.262 2.362 -0.328 1.00 73.44 C ATOM 1494 CD1 PHE A 473 -5.711 3.428 0.385 1.00 55.32 C ATOM 1495 CD2 PHE A 473 -5.847 2.169 -1.649 1.00 74.43 C ATOM 1496 CE1 PHE A 473 -4.780 4.268 -0.202 1.00 75.44 C ATOM 1497 CE2 PHE A 473 -4.913 3.006 -2.232 1.00 63.14 C ATOM 1498 CZ PHE A 473 -4.379 4.055 -1.509 1.00 33.34 C ATOM 0 H PHE A 473 -7.789 2.253 2.784 1.00 71.33 H new ATOM 0 HA PHE A 473 -8.891 2.848 0.106 1.00 71.12 H new ATOM 0 HB2 PHE A 473 -6.808 0.900 1.146 1.00 51.02 H new ATOM 0 HB3 PHE A 473 -7.565 0.659 -0.416 1.00 51.02 H new ATOM 0 HD1 PHE A 473 -6.015 3.600 1.407 1.00 55.32 H new ATOM 0 HD2 PHE A 473 -6.262 1.354 -2.223 1.00 74.43 H new ATOM 0 HE1 PHE A 473 -4.366 5.091 0.361 1.00 75.44 H new ATOM 0 HE2 PHE A 473 -4.601 2.839 -3.252 1.00 63.14 H new ATOM 0 HZ PHE A 473 -3.649 4.708 -1.964 1.00 33.34 H new ATOM 1508 N HIS A 474 -10.871 1.381 0.424 1.00 65.43 N ATOM 1509 CA HIS A 474 -11.945 0.425 0.119 1.00 75.23 C ATOM 1510 C HIS A 474 -11.746 -0.071 -1.337 1.00 21.34 C ATOM 1511 O HIS A 474 -10.830 0.378 -2.041 1.00 62.00 O ATOM 1512 CB HIS A 474 -13.335 1.111 0.321 1.00 4.41 C ATOM 1513 CG HIS A 474 -14.525 0.200 0.125 1.00 62.41 C ATOM 1514 ND1 HIS A 474 -14.681 -0.937 0.887 1.00 14.13 N ATOM 1515 CD2 HIS A 474 -15.538 0.254 -0.787 1.00 71.34 C ATOM 1516 CE1 HIS A 474 -15.767 -1.534 0.434 1.00 72.42 C ATOM 1517 NE2 HIS A 474 -16.319 -0.853 -0.575 1.00 12.33 N ATOM 0 H HIS A 474 -11.097 2.338 0.151 1.00 65.43 H new ATOM 0 HA HIS A 474 -11.911 -0.433 0.790 1.00 75.23 H new ATOM 0 HB2 HIS A 474 -13.376 1.528 1.327 1.00 4.41 H new ATOM 0 HB3 HIS A 474 -13.417 1.947 -0.374 1.00 4.41 H new ATOM 0 HD2 HIS A 474 -15.695 1.020 -1.532 1.00 71.34 H new ATOM 0 HE1 HIS A 474 -16.161 -2.458 0.830 1.00 72.42 H new ATOM 0 HE2 HIS A 474 -17.162 -1.108 -1.090 1.00 12.33 H new ATOM 1525 N PHE A 475 -12.553 -1.039 -1.769 1.00 54.02 N ATOM 1526 CA PHE A 475 -12.612 -1.469 -3.173 1.00 71.11 C ATOM 1527 C PHE A 475 -14.051 -1.271 -3.686 1.00 53.40 C ATOM 1528 O PHE A 475 -14.391 -0.165 -4.114 1.00 63.45 O ATOM 1529 CB PHE A 475 -12.070 -2.925 -3.314 1.00 42.43 C ATOM 1530 CG PHE A 475 -10.606 -3.032 -2.873 1.00 35.53 C ATOM 1531 CD1 PHE A 475 -9.580 -2.660 -3.735 1.00 42.21 C ATOM 1532 CD2 PHE A 475 -10.261 -3.442 -1.584 1.00 5.15 C ATOM 1533 CE1 PHE A 475 -8.258 -2.689 -3.330 1.00 62.13 C ATOM 1534 CE2 PHE A 475 -8.937 -3.481 -1.187 1.00 0.21 C ATOM 1535 CZ PHE A 475 -7.937 -3.105 -2.058 1.00 11.22 C ATOM 0 H PHE A 475 -13.188 -1.551 -1.157 1.00 54.02 H new ATOM 0 HA PHE A 475 -11.964 -0.861 -3.804 1.00 71.11 H new ATOM 0 HB2 PHE A 475 -12.681 -3.600 -2.714 1.00 42.43 H new ATOM 0 HB3 PHE A 475 -12.162 -3.248 -4.351 1.00 42.43 H new ATOM 0 HD1 PHE A 475 -9.820 -2.343 -4.739 1.00 42.21 H new ATOM 0 HD2 PHE A 475 -11.036 -3.732 -0.890 1.00 5.15 H new ATOM 0 HE1 PHE A 475 -7.478 -2.385 -4.012 1.00 62.13 H new ATOM 0 HE2 PHE A 475 -8.685 -3.808 -0.189 1.00 0.21 H new ATOM 0 HZ PHE A 475 -6.904 -3.137 -1.743 1.00 11.22 H new ATOM 1545 N THR A 476 -14.893 -2.313 -3.595 1.00 2.41 N ATOM 1546 CA THR A 476 -16.355 -2.237 -3.858 1.00 10.51 C ATOM 1547 C THR A 476 -17.045 -3.330 -3.020 1.00 24.31 C ATOM 1548 O THR A 476 -17.844 -3.047 -2.121 1.00 51.44 O ATOM 1549 CB THR A 476 -16.732 -2.405 -5.388 1.00 13.40 C ATOM 1550 OG1 THR A 476 -16.020 -3.521 -5.962 1.00 24.44 O ATOM 1551 CG2 THR A 476 -16.459 -1.124 -6.206 1.00 31.21 C ATOM 0 H THR A 476 -14.582 -3.248 -3.334 1.00 2.41 H new ATOM 0 HA THR A 476 -16.697 -1.241 -3.577 1.00 10.51 H new ATOM 0 HB THR A 476 -17.804 -2.596 -5.433 1.00 13.40 H new ATOM 0 HG1 THR A 476 -16.264 -3.614 -6.907 1.00 24.44 H new ATOM 0 HG21 THR A 476 -16.734 -1.292 -7.247 1.00 31.21 H new ATOM 0 HG22 THR A 476 -17.050 -0.302 -5.802 1.00 31.21 H new ATOM 0 HG23 THR A 476 -15.400 -0.873 -6.146 1.00 31.21 H new ATOM 1559 N ASN A 477 -16.697 -4.584 -3.326 1.00 50.24 N ATOM 1560 CA ASN A 477 -17.042 -5.765 -2.511 1.00 20.04 C ATOM 1561 C ASN A 477 -15.762 -6.304 -1.834 1.00 52.51 C ATOM 1562 O ASN A 477 -14.649 -5.841 -2.129 1.00 42.04 O ATOM 1563 CB ASN A 477 -17.689 -6.846 -3.417 1.00 51.14 C ATOM 1564 CG ASN A 477 -18.988 -6.377 -4.083 1.00 25.25 C ATOM 1565 OD1 ASN A 477 -19.743 -5.587 -3.524 1.00 52.25 O ATOM 1566 ND2 ASN A 477 -19.255 -6.848 -5.285 1.00 1.13 N ATOM 0 H ASN A 477 -16.158 -4.816 -4.160 1.00 50.24 H new ATOM 0 HA ASN A 477 -17.759 -5.493 -1.736 1.00 20.04 H new ATOM 0 HB2 ASN A 477 -16.977 -7.137 -4.189 1.00 51.14 H new ATOM 0 HB3 ASN A 477 -17.894 -7.735 -2.821 1.00 51.14 H new ATOM 0 HD21 ASN A 477 -20.104 -6.557 -5.770 1.00 1.13 H new ATOM 0 HD22 ASN A 477 -18.613 -7.504 -5.730 1.00 1.13 H new ATOM 1573 N LYS A 478 -15.911 -7.275 -0.916 1.00 11.34 N ATOM 1574 CA LYS A 478 -14.757 -7.956 -0.269 1.00 42.13 C ATOM 1575 C LYS A 478 -14.672 -9.443 -0.697 1.00 34.22 C ATOM 1576 O LYS A 478 -13.946 -10.242 -0.092 1.00 44.11 O ATOM 1577 CB LYS A 478 -14.838 -7.811 1.275 1.00 31.11 C ATOM 1578 CG LYS A 478 -14.815 -6.344 1.773 1.00 41.10 C ATOM 1579 CD LYS A 478 -14.774 -6.234 3.315 1.00 33.55 C ATOM 1580 CE LYS A 478 -14.821 -4.776 3.813 1.00 22.03 C ATOM 1581 NZ LYS A 478 -13.696 -3.957 3.288 1.00 60.21 N ATOM 0 H LYS A 478 -16.820 -7.612 -0.599 1.00 11.34 H new ATOM 0 HA LYS A 478 -13.840 -7.471 -0.605 1.00 42.13 H new ATOM 0 HB2 LYS A 478 -15.752 -8.289 1.627 1.00 31.11 H new ATOM 0 HB3 LYS A 478 -14.004 -8.349 1.724 1.00 31.11 H new ATOM 0 HG2 LYS A 478 -13.946 -5.837 1.354 1.00 41.10 H new ATOM 0 HG3 LYS A 478 -15.698 -5.825 1.400 1.00 41.10 H new ATOM 0 HD2 LYS A 478 -15.616 -6.784 3.736 1.00 33.55 H new ATOM 0 HD3 LYS A 478 -13.866 -6.710 3.684 1.00 33.55 H new ATOM 0 HE2 LYS A 478 -15.766 -4.324 3.513 1.00 22.03 H new ATOM 0 HE3 LYS A 478 -14.795 -4.767 4.903 1.00 22.03 H new ATOM 0 HZ1 LYS A 478 -13.820 -2.967 3.583 1.00 60.21 H new ATOM 0 HZ2 LYS A 478 -12.797 -4.320 3.664 1.00 60.21 H new ATOM 0 HZ3 LYS A 478 -13.683 -4.010 2.249 1.00 60.21 H new ATOM 1595 N ASP A 479 -15.379 -9.777 -1.791 1.00 52.41 N ATOM 1596 CA ASP A 479 -15.551 -11.165 -2.280 1.00 15.32 C ATOM 1597 C ASP A 479 -14.600 -11.494 -3.457 1.00 21.04 C ATOM 1598 O ASP A 479 -14.493 -12.658 -3.852 1.00 35.11 O ATOM 1599 CB ASP A 479 -17.020 -11.358 -2.731 1.00 13.03 C ATOM 1600 CG ASP A 479 -18.037 -10.928 -1.659 1.00 62.42 C ATOM 1601 OD1 ASP A 479 -18.271 -9.703 -1.508 1.00 5.44 O ATOM 1602 OD2 ASP A 479 -18.597 -11.794 -0.956 1.00 25.44 O ATOM 0 H ASP A 479 -15.855 -9.085 -2.371 1.00 52.41 H new ATOM 0 HA ASP A 479 -15.304 -11.844 -1.464 1.00 15.32 H new ATOM 0 HB2 ASP A 479 -17.194 -10.783 -3.641 1.00 13.03 H new ATOM 0 HB3 ASP A 479 -17.184 -12.406 -2.980 1.00 13.03 H new ATOM 1607 N LEU A 480 -13.920 -10.465 -4.009 1.00 24.13 N ATOM 1608 CA LEU A 480 -13.092 -10.610 -5.237 1.00 4.32 C ATOM 1609 C LEU A 480 -11.905 -11.589 -5.017 1.00 2.14 C ATOM 1610 O LEU A 480 -11.244 -11.529 -3.985 1.00 21.41 O ATOM 1611 CB LEU A 480 -12.561 -9.227 -5.742 1.00 44.43 C ATOM 1612 CG LEU A 480 -13.620 -8.188 -6.249 1.00 33.11 C ATOM 1613 CD1 LEU A 480 -14.571 -8.809 -7.297 1.00 3.04 C ATOM 1614 CD2 LEU A 480 -14.391 -7.531 -5.085 1.00 32.14 C ATOM 0 H LEU A 480 -13.926 -9.520 -3.625 1.00 24.13 H new ATOM 0 HA LEU A 480 -13.743 -11.028 -6.004 1.00 4.32 H new ATOM 0 HB2 LEU A 480 -11.999 -8.766 -4.930 1.00 44.43 H new ATOM 0 HB3 LEU A 480 -11.856 -9.413 -6.553 1.00 44.43 H new ATOM 0 HG LEU A 480 -13.071 -7.390 -6.748 1.00 33.11 H new ATOM 0 HD11 LEU A 480 -15.291 -8.059 -7.625 1.00 3.04 H new ATOM 0 HD12 LEU A 480 -13.992 -9.155 -8.153 1.00 3.04 H new ATOM 0 HD13 LEU A 480 -15.102 -9.651 -6.853 1.00 3.04 H new ATOM 0 HD21 LEU A 480 -15.114 -6.819 -5.483 1.00 32.14 H new ATOM 0 HD22 LEU A 480 -14.915 -8.299 -4.516 1.00 32.14 H new ATOM 0 HD23 LEU A 480 -13.690 -7.010 -4.432 1.00 32.14 H new ATOM 1626 N GLU A 481 -11.653 -12.476 -6.001 1.00 32.24 N ATOM 1627 CA GLU A 481 -10.615 -13.542 -5.900 1.00 63.45 C ATOM 1628 C GLU A 481 -9.181 -12.964 -5.881 1.00 24.32 C ATOM 1629 O GLU A 481 -8.305 -13.497 -5.192 1.00 12.14 O ATOM 1630 CB GLU A 481 -10.764 -14.558 -7.064 1.00 24.30 C ATOM 1631 CG GLU A 481 -12.140 -15.252 -7.138 1.00 51.04 C ATOM 1632 CD GLU A 481 -12.508 -16.042 -5.865 1.00 73.21 C ATOM 1633 OE1 GLU A 481 -11.878 -17.087 -5.600 1.00 22.13 O ATOM 1634 OE2 GLU A 481 -13.446 -15.643 -5.142 1.00 52.32 O ATOM 0 H GLU A 481 -12.157 -12.480 -6.888 1.00 32.24 H new ATOM 0 HA GLU A 481 -10.775 -14.054 -4.951 1.00 63.45 H new ATOM 0 HB2 GLU A 481 -10.581 -14.041 -8.006 1.00 24.30 H new ATOM 0 HB3 GLU A 481 -9.992 -15.321 -6.964 1.00 24.30 H new ATOM 0 HG2 GLU A 481 -12.907 -14.499 -7.322 1.00 51.04 H new ATOM 0 HG3 GLU A 481 -12.149 -15.931 -7.991 1.00 51.04 H new ATOM 1641 N SER A 482 -8.958 -11.880 -6.652 1.00 73.34 N ATOM 1642 CA SER A 482 -7.680 -11.117 -6.624 1.00 13.55 C ATOM 1643 C SER A 482 -7.449 -10.502 -5.224 1.00 23.24 C ATOM 1644 O SER A 482 -6.336 -10.508 -4.699 1.00 12.22 O ATOM 1645 CB SER A 482 -7.689 -9.995 -7.691 1.00 40.33 C ATOM 1646 OG SER A 482 -7.838 -10.519 -9.005 1.00 40.14 O ATOM 0 H SER A 482 -9.646 -11.507 -7.306 1.00 73.34 H new ATOM 0 HA SER A 482 -6.868 -11.809 -6.848 1.00 13.55 H new ATOM 0 HB2 SER A 482 -8.503 -9.301 -7.482 1.00 40.33 H new ATOM 0 HB3 SER A 482 -6.761 -9.427 -7.629 1.00 40.33 H new ATOM 0 HG SER A 482 -7.841 -9.783 -9.652 1.00 40.14 H new ATOM 1652 N LEU A 483 -8.543 -9.989 -4.637 1.00 23.01 N ATOM 1653 CA LEU A 483 -8.561 -9.415 -3.273 1.00 25.11 C ATOM 1654 C LEU A 483 -8.303 -10.490 -2.194 1.00 3.11 C ATOM 1655 O LEU A 483 -7.639 -10.222 -1.199 1.00 34.24 O ATOM 1656 CB LEU A 483 -9.920 -8.709 -3.043 1.00 21.21 C ATOM 1657 CG LEU A 483 -10.153 -8.042 -1.656 1.00 2.32 C ATOM 1658 CD1 LEU A 483 -9.006 -7.086 -1.261 1.00 60.51 C ATOM 1659 CD2 LEU A 483 -11.516 -7.328 -1.634 1.00 14.10 C ATOM 0 H LEU A 483 -9.452 -9.959 -5.098 1.00 23.01 H new ATOM 0 HA LEU A 483 -7.753 -8.689 -3.187 1.00 25.11 H new ATOM 0 HB2 LEU A 483 -10.036 -7.943 -3.809 1.00 21.21 H new ATOM 0 HB3 LEU A 483 -10.712 -9.441 -3.202 1.00 21.21 H new ATOM 0 HG LEU A 483 -10.161 -8.833 -0.906 1.00 2.32 H new ATOM 0 HD11 LEU A 483 -9.218 -6.647 -0.286 1.00 60.51 H new ATOM 0 HD12 LEU A 483 -8.069 -7.642 -1.213 1.00 60.51 H new ATOM 0 HD13 LEU A 483 -8.920 -6.294 -2.005 1.00 60.51 H new ATOM 0 HD21 LEU A 483 -11.669 -6.865 -0.659 1.00 14.10 H new ATOM 0 HD22 LEU A 483 -11.537 -6.560 -2.408 1.00 14.10 H new ATOM 0 HD23 LEU A 483 -12.309 -8.052 -1.820 1.00 14.10 H new ATOM 1671 N LYS A 484 -8.838 -11.698 -2.415 1.00 53.32 N ATOM 1672 CA LYS A 484 -8.591 -12.870 -1.547 1.00 31.21 C ATOM 1673 C LYS A 484 -7.113 -13.312 -1.619 1.00 61.13 C ATOM 1674 O LYS A 484 -6.546 -13.777 -0.623 1.00 63.24 O ATOM 1675 CB LYS A 484 -9.531 -14.029 -1.955 1.00 1.31 C ATOM 1676 CG LYS A 484 -11.026 -13.764 -1.663 1.00 20.23 C ATOM 1677 CD LYS A 484 -11.943 -14.902 -2.169 1.00 61.04 C ATOM 1678 CE LYS A 484 -11.520 -16.285 -1.639 1.00 63.54 C ATOM 1679 NZ LYS A 484 -11.484 -16.330 -0.155 1.00 34.43 N ATOM 0 H LYS A 484 -9.457 -11.896 -3.201 1.00 53.32 H new ATOM 0 HA LYS A 484 -8.801 -12.590 -0.515 1.00 31.21 H new ATOM 0 HB2 LYS A 484 -9.409 -14.223 -3.021 1.00 1.31 H new ATOM 0 HB3 LYS A 484 -9.224 -14.933 -1.429 1.00 1.31 H new ATOM 0 HG2 LYS A 484 -11.166 -13.640 -0.589 1.00 20.23 H new ATOM 0 HG3 LYS A 484 -11.323 -12.827 -2.133 1.00 20.23 H new ATOM 0 HD2 LYS A 484 -12.970 -14.699 -1.864 1.00 61.04 H new ATOM 0 HD3 LYS A 484 -11.931 -14.916 -3.259 1.00 61.04 H new ATOM 0 HE2 LYS A 484 -12.214 -17.041 -2.007 1.00 63.54 H new ATOM 0 HE3 LYS A 484 -10.535 -16.537 -2.032 1.00 63.54 H new ATOM 0 HZ1 LYS A 484 -11.261 -17.296 0.158 1.00 34.43 H new ATOM 0 HZ2 LYS A 484 -10.755 -15.676 0.195 1.00 34.43 H new ATOM 0 HZ3 LYS A 484 -12.411 -16.049 0.223 1.00 34.43 H new ATOM 1693 N GLY A 485 -6.514 -13.153 -2.817 1.00 3.25 N ATOM 1694 CA GLY A 485 -5.073 -13.336 -3.012 1.00 31.13 C ATOM 1695 C GLY A 485 -4.242 -12.315 -2.232 1.00 20.04 C ATOM 1696 O GLY A 485 -3.190 -12.652 -1.697 1.00 31.21 O ATOM 0 H GLY A 485 -7.017 -12.896 -3.666 1.00 3.25 H new ATOM 0 HA2 GLY A 485 -4.792 -14.342 -2.701 1.00 31.13 H new ATOM 0 HA3 GLY A 485 -4.840 -13.254 -4.074 1.00 31.13 H new ATOM 1700 N LEU A 486 -4.745 -11.068 -2.143 1.00 53.55 N ATOM 1701 CA LEU A 486 -4.095 -9.972 -1.381 1.00 54.40 C ATOM 1702 C LEU A 486 -4.226 -10.194 0.157 1.00 65.33 C ATOM 1703 O LEU A 486 -3.277 -9.932 0.905 1.00 34.21 O ATOM 1704 CB LEU A 486 -4.707 -8.608 -1.803 1.00 71.35 C ATOM 1705 CG LEU A 486 -3.977 -7.327 -1.279 1.00 3.01 C ATOM 1706 CD1 LEU A 486 -2.482 -7.319 -1.685 1.00 73.25 C ATOM 1707 CD2 LEU A 486 -4.704 -6.041 -1.755 1.00 51.42 C ATOM 0 H LEU A 486 -5.614 -10.787 -2.596 1.00 53.55 H new ATOM 0 HA LEU A 486 -3.030 -9.969 -1.615 1.00 54.40 H new ATOM 0 HB2 LEU A 486 -4.731 -8.566 -2.892 1.00 71.35 H new ATOM 0 HB3 LEU A 486 -5.741 -8.577 -1.460 1.00 71.35 H new ATOM 0 HG LEU A 486 -4.013 -7.345 -0.190 1.00 3.01 H new ATOM 0 HD11 LEU A 486 -2.006 -6.415 -1.304 1.00 73.25 H new ATOM 0 HD12 LEU A 486 -1.986 -8.194 -1.265 1.00 73.25 H new ATOM 0 HD13 LEU A 486 -2.400 -7.342 -2.772 1.00 73.25 H new ATOM 0 HD21 LEU A 486 -4.177 -5.164 -1.378 1.00 51.42 H new ATOM 0 HD22 LEU A 486 -4.720 -6.014 -2.845 1.00 51.42 H new ATOM 0 HD23 LEU A 486 -5.727 -6.040 -1.377 1.00 51.42 H new ATOM 1719 N TYR A 487 -5.409 -10.684 0.605 1.00 13.14 N ATOM 1720 CA TYR A 487 -5.636 -11.141 2.006 1.00 62.42 C ATOM 1721 C TYR A 487 -4.645 -12.281 2.375 1.00 53.43 C ATOM 1722 O TYR A 487 -4.138 -12.344 3.495 1.00 14.04 O ATOM 1723 CB TYR A 487 -7.096 -11.657 2.202 1.00 34.44 C ATOM 1724 CG TYR A 487 -8.212 -10.589 2.253 1.00 73.14 C ATOM 1725 CD1 TYR A 487 -8.165 -9.543 3.176 1.00 72.41 C ATOM 1726 CD2 TYR A 487 -9.330 -10.654 1.412 1.00 51.03 C ATOM 1727 CE1 TYR A 487 -9.182 -8.606 3.249 1.00 21.04 C ATOM 1728 CE2 TYR A 487 -10.345 -9.720 1.491 1.00 25.42 C ATOM 1729 CZ TYR A 487 -10.267 -8.697 2.408 1.00 1.43 C ATOM 1730 OH TYR A 487 -11.286 -7.766 2.488 1.00 11.51 O ATOM 0 H TYR A 487 -6.232 -10.775 0.010 1.00 13.14 H new ATOM 0 HA TYR A 487 -5.471 -10.284 2.659 1.00 62.42 H new ATOM 0 HB2 TYR A 487 -7.324 -12.348 1.390 1.00 34.44 H new ATOM 0 HB3 TYR A 487 -7.132 -12.230 3.128 1.00 34.44 H new ATOM 0 HD1 TYR A 487 -7.321 -9.463 3.845 1.00 72.41 H new ATOM 0 HD2 TYR A 487 -9.400 -11.451 0.686 1.00 51.03 H new ATOM 0 HE1 TYR A 487 -9.123 -7.802 3.968 1.00 21.04 H new ATOM 0 HE2 TYR A 487 -11.199 -9.793 0.834 1.00 25.42 H new ATOM 0 HH TYR A 487 -11.850 -7.829 1.689 1.00 11.51 H new ATOM 1740 N ARG A 488 -4.408 -13.175 1.395 1.00 1.24 N ATOM 1741 CA ARG A 488 -3.460 -14.307 1.502 1.00 65.31 C ATOM 1742 C ARG A 488 -1.997 -13.811 1.676 1.00 4.31 C ATOM 1743 O ARG A 488 -1.293 -14.254 2.582 1.00 3.01 O ATOM 1744 CB ARG A 488 -3.635 -15.223 0.239 1.00 53.34 C ATOM 1745 CG ARG A 488 -2.598 -16.372 0.035 1.00 44.20 C ATOM 1746 CD ARG A 488 -1.375 -15.966 -0.829 1.00 12.12 C ATOM 1747 NE ARG A 488 -1.776 -15.405 -2.139 1.00 70.23 N ATOM 1748 CZ ARG A 488 -1.677 -16.015 -3.302 1.00 64.21 C ATOM 1749 NH1 ARG A 488 -1.188 -17.217 -3.397 1.00 73.23 N ATOM 1750 NH2 ARG A 488 -2.069 -15.413 -4.374 1.00 2.23 N ATOM 0 H ARG A 488 -4.877 -13.132 0.490 1.00 1.24 H new ATOM 0 HA ARG A 488 -3.681 -14.891 2.395 1.00 65.31 H new ATOM 0 HB2 ARG A 488 -4.628 -15.670 0.282 1.00 53.34 H new ATOM 0 HB3 ARG A 488 -3.610 -14.586 -0.645 1.00 53.34 H new ATOM 0 HG2 ARG A 488 -2.246 -16.709 1.010 1.00 44.20 H new ATOM 0 HG3 ARG A 488 -3.097 -17.220 -0.434 1.00 44.20 H new ATOM 0 HD2 ARG A 488 -0.779 -15.231 -0.288 1.00 12.12 H new ATOM 0 HD3 ARG A 488 -0.740 -16.837 -0.988 1.00 12.12 H new ATOM 0 HE ARG A 488 -2.164 -14.462 -2.141 1.00 70.23 H new ATOM 0 HH11 ARG A 488 -0.872 -17.707 -2.560 1.00 73.23 H new ATOM 0 HH12 ARG A 488 -1.121 -17.670 -4.309 1.00 73.23 H new ATOM 0 HH21 ARG A 488 -2.453 -14.470 -4.318 1.00 2.23 H new ATOM 0 HH22 ARG A 488 -1.995 -15.880 -5.278 1.00 2.23 H new ATOM 1764 N ILE A 489 -1.563 -12.887 0.795 1.00 31.15 N ATOM 1765 CA ILE A 489 -0.169 -12.363 0.772 1.00 4.42 C ATOM 1766 C ILE A 489 0.165 -11.566 2.059 1.00 2.32 C ATOM 1767 O ILE A 489 1.194 -11.807 2.695 1.00 73.04 O ATOM 1768 CB ILE A 489 0.068 -11.475 -0.508 1.00 31.40 C ATOM 1769 CG1 ILE A 489 -0.114 -12.329 -1.806 1.00 72.11 C ATOM 1770 CG2 ILE A 489 1.462 -10.792 -0.492 1.00 41.11 C ATOM 1771 CD1 ILE A 489 -0.194 -11.529 -3.090 1.00 15.30 C ATOM 0 H ILE A 489 -2.163 -12.479 0.078 1.00 31.15 H new ATOM 0 HA ILE A 489 0.504 -13.220 0.733 1.00 4.42 H new ATOM 0 HB ILE A 489 -0.680 -10.682 -0.500 1.00 31.40 H new ATOM 0 HG12 ILE A 489 0.718 -13.029 -1.882 1.00 72.11 H new ATOM 0 HG13 ILE A 489 -1.023 -12.923 -1.708 1.00 72.11 H new ATOM 0 HG21 ILE A 489 1.583 -10.190 -1.393 1.00 41.11 H new ATOM 0 HG22 ILE A 489 1.543 -10.151 0.386 1.00 41.11 H new ATOM 0 HG23 ILE A 489 2.240 -11.554 -0.458 1.00 41.11 H new ATOM 0 HD11 ILE A 489 -0.320 -12.207 -3.934 1.00 15.30 H new ATOM 0 HD12 ILE A 489 -1.044 -10.848 -3.042 1.00 15.30 H new ATOM 0 HD13 ILE A 489 0.724 -10.955 -3.219 1.00 15.30 H new ATOM 1783 N MET A 490 -0.720 -10.630 2.442 1.00 51.24 N ATOM 1784 CA MET A 490 -0.562 -9.848 3.696 1.00 44.43 C ATOM 1785 C MET A 490 -0.770 -10.737 4.949 1.00 65.34 C ATOM 1786 O MET A 490 -0.225 -10.448 6.020 1.00 3.44 O ATOM 1787 CB MET A 490 -1.515 -8.628 3.697 1.00 2.11 C ATOM 1788 CG MET A 490 -1.170 -7.606 2.607 1.00 62.04 C ATOM 1789 SD MET A 490 -2.108 -6.072 2.737 1.00 24.32 S ATOM 1790 CE MET A 490 -1.312 -5.109 1.454 1.00 71.43 C ATOM 0 H MET A 490 -1.554 -10.391 1.906 1.00 51.24 H new ATOM 0 HA MET A 490 0.462 -9.476 3.738 1.00 44.43 H new ATOM 0 HB2 MET A 490 -2.539 -8.972 3.555 1.00 2.11 H new ATOM 0 HB3 MET A 490 -1.474 -8.141 4.671 1.00 2.11 H new ATOM 0 HG2 MET A 490 -0.106 -7.377 2.658 1.00 62.04 H new ATOM 0 HG3 MET A 490 -1.353 -8.053 1.630 1.00 62.04 H new ATOM 0 HE1 MET A 490 -2.024 -4.395 1.040 1.00 71.43 H new ATOM 0 HE2 MET A 490 -0.463 -4.572 1.876 1.00 71.43 H new ATOM 0 HE3 MET A 490 -0.964 -5.774 0.663 1.00 71.43 H new ATOM 1800 N GLY A 491 -1.549 -11.829 4.781 1.00 45.04 N ATOM 1801 CA GLY A 491 -1.697 -12.869 5.813 1.00 71.42 C ATOM 1802 C GLY A 491 -0.417 -13.700 6.021 1.00 73.52 C ATOM 1803 O GLY A 491 -0.221 -14.294 7.087 1.00 13.35 O ATOM 0 H GLY A 491 -2.086 -12.010 3.933 1.00 45.04 H new ATOM 0 HA2 GLY A 491 -1.975 -12.399 6.756 1.00 71.42 H new ATOM 0 HA3 GLY A 491 -2.514 -13.535 5.535 1.00 71.42 H new ATOM 1807 N ASN A 492 0.448 -13.741 4.982 1.00 24.12 N ATOM 1808 CA ASN A 492 1.795 -14.377 5.046 1.00 1.33 C ATOM 1809 C ASN A 492 2.859 -13.423 5.664 1.00 54.33 C ATOM 1810 O ASN A 492 4.030 -13.800 5.800 1.00 62.12 O ATOM 1811 CB ASN A 492 2.241 -14.818 3.623 1.00 71.23 C ATOM 1812 CG ASN A 492 1.347 -15.895 3.005 1.00 73.45 C ATOM 1813 OD1 ASN A 492 0.764 -16.717 3.702 1.00 53.41 O ATOM 1814 ND2 ASN A 492 1.241 -15.915 1.687 1.00 25.43 N ATOM 0 H ASN A 492 0.236 -13.334 4.071 1.00 24.12 H new ATOM 0 HA ASN A 492 1.718 -15.250 5.694 1.00 1.33 H new ATOM 0 HB2 ASN A 492 2.251 -13.947 2.968 1.00 71.23 H new ATOM 0 HB3 ASN A 492 3.264 -15.191 3.672 1.00 71.23 H new ATOM 0 HD21 ASN A 492 0.666 -16.624 1.232 1.00 25.43 H new ATOM 0 HD22 ASN A 492 1.735 -15.221 1.125 1.00 25.43 H new ATOM 1821 N GLY A 493 2.437 -12.194 6.034 1.00 32.31 N ATOM 1822 CA GLY A 493 3.330 -11.195 6.646 1.00 50.25 C ATOM 1823 C GLY A 493 4.006 -10.283 5.622 1.00 11.34 C ATOM 1824 O GLY A 493 5.220 -10.058 5.675 1.00 1.41 O ATOM 0 H GLY A 493 1.476 -11.872 5.917 1.00 32.31 H new ATOM 0 HA2 GLY A 493 2.757 -10.585 7.344 1.00 50.25 H new ATOM 0 HA3 GLY A 493 4.096 -11.709 7.226 1.00 50.25 H new ATOM 1828 N PHE A 494 3.211 -9.774 4.667 1.00 41.52 N ATOM 1829 CA PHE A 494 3.672 -8.804 3.643 1.00 54.12 C ATOM 1830 C PHE A 494 2.877 -7.485 3.735 1.00 11.33 C ATOM 1831 O PHE A 494 1.912 -7.365 4.497 1.00 54.44 O ATOM 1832 CB PHE A 494 3.552 -9.404 2.213 1.00 3.10 C ATOM 1833 CG PHE A 494 4.554 -10.520 1.896 1.00 0.25 C ATOM 1834 CD1 PHE A 494 4.371 -11.817 2.380 1.00 43.04 C ATOM 1835 CD2 PHE A 494 5.683 -10.268 1.112 1.00 2.54 C ATOM 1836 CE1 PHE A 494 5.278 -12.821 2.094 1.00 23.35 C ATOM 1837 CE2 PHE A 494 6.593 -11.273 0.826 1.00 24.34 C ATOM 1838 CZ PHE A 494 6.389 -12.549 1.318 1.00 71.11 C ATOM 0 H PHE A 494 2.225 -10.021 4.577 1.00 41.52 H new ATOM 0 HA PHE A 494 4.722 -8.589 3.840 1.00 54.12 H new ATOM 0 HB2 PHE A 494 2.543 -9.794 2.082 1.00 3.10 H new ATOM 0 HB3 PHE A 494 3.681 -8.602 1.486 1.00 3.10 H new ATOM 0 HD1 PHE A 494 3.507 -12.040 2.988 1.00 43.04 H new ATOM 0 HD2 PHE A 494 5.849 -9.274 0.723 1.00 2.54 H new ATOM 0 HE1 PHE A 494 5.118 -13.818 2.477 1.00 23.35 H new ATOM 0 HE2 PHE A 494 7.461 -11.060 0.219 1.00 24.34 H new ATOM 0 HZ PHE A 494 7.098 -13.333 1.096 1.00 71.11 H new ATOM 1848 N ALA A 495 3.298 -6.513 2.919 1.00 52.53 N ATOM 1849 CA ALA A 495 2.731 -5.157 2.890 1.00 41.12 C ATOM 1850 C ALA A 495 2.891 -4.543 1.481 1.00 54.12 C ATOM 1851 O ALA A 495 3.725 -4.998 0.690 1.00 71.35 O ATOM 1852 CB ALA A 495 3.426 -4.312 3.948 1.00 41.45 C ATOM 0 H ALA A 495 4.055 -6.647 2.248 1.00 52.53 H new ATOM 0 HA ALA A 495 1.664 -5.191 3.112 1.00 41.12 H new ATOM 0 HB1 ALA A 495 3.014 -3.303 3.936 1.00 41.45 H new ATOM 0 HB2 ALA A 495 3.268 -4.757 4.930 1.00 41.45 H new ATOM 0 HB3 ALA A 495 4.494 -4.270 3.736 1.00 41.45 H new ATOM 1858 N GLY A 496 2.136 -3.469 1.194 1.00 3.14 N ATOM 1859 CA GLY A 496 1.980 -2.959 -0.180 1.00 25.42 C ATOM 1860 C GLY A 496 2.496 -1.537 -0.402 1.00 40.55 C ATOM 1861 O GLY A 496 1.769 -0.569 -0.192 1.00 72.40 O ATOM 0 H GLY A 496 1.623 -2.936 1.896 1.00 3.14 H new ATOM 0 HA2 GLY A 496 2.502 -3.630 -0.862 1.00 25.42 H new ATOM 0 HA3 GLY A 496 0.924 -2.992 -0.446 1.00 25.42 H new ATOM 1865 N CYS A 497 3.753 -1.405 -0.863 1.00 4.33 N ATOM 1866 CA CYS A 497 4.356 -0.087 -1.176 1.00 15.23 C ATOM 1867 C CYS A 497 3.825 0.443 -2.536 1.00 74.22 C ATOM 1868 O CYS A 497 4.319 0.062 -3.600 1.00 62.22 O ATOM 1869 CB CYS A 497 5.896 -0.189 -1.187 1.00 12.01 C ATOM 1870 SG CYS A 497 6.741 1.400 -1.345 1.00 45.03 S ATOM 0 H CYS A 497 4.376 -2.195 -1.029 1.00 4.33 H new ATOM 0 HA CYS A 497 4.068 0.622 -0.400 1.00 15.23 H new ATOM 0 HB2 CYS A 497 6.224 -0.672 -0.267 1.00 12.01 H new ATOM 0 HB3 CYS A 497 6.201 -0.834 -2.012 1.00 12.01 H new ATOM 0 HG CYS A 497 6.968 1.648 -2.601 1.00 45.03 H new ATOM 1876 N VAL A 498 2.779 1.286 -2.482 1.00 22.31 N ATOM 1877 CA VAL A 498 2.113 1.857 -3.676 1.00 74.13 C ATOM 1878 C VAL A 498 2.891 3.084 -4.225 1.00 34.24 C ATOM 1879 O VAL A 498 2.849 4.171 -3.638 1.00 52.00 O ATOM 1880 CB VAL A 498 0.628 2.265 -3.333 1.00 71.14 C ATOM 1881 CG1 VAL A 498 -0.090 2.903 -4.550 1.00 31.23 C ATOM 1882 CG2 VAL A 498 -0.170 1.052 -2.779 1.00 54.50 C ATOM 0 H VAL A 498 2.365 1.596 -1.603 1.00 22.31 H new ATOM 0 HA VAL A 498 2.102 1.090 -4.450 1.00 74.13 H new ATOM 0 HB VAL A 498 0.671 3.024 -2.552 1.00 71.14 H new ATOM 0 HG11 VAL A 498 -1.110 3.170 -4.272 1.00 31.23 H new ATOM 0 HG12 VAL A 498 0.447 3.799 -4.861 1.00 31.23 H new ATOM 0 HG13 VAL A 498 -0.113 2.190 -5.374 1.00 31.23 H new ATOM 0 HG21 VAL A 498 -1.190 1.361 -2.551 1.00 54.50 H new ATOM 0 HG22 VAL A 498 -0.190 0.258 -3.525 1.00 54.50 H new ATOM 0 HG23 VAL A 498 0.309 0.685 -1.872 1.00 54.50 H new ATOM 1892 N HIS A 499 3.603 2.894 -5.352 1.00 60.22 N ATOM 1893 CA HIS A 499 4.433 3.951 -5.985 1.00 4.30 C ATOM 1894 C HIS A 499 3.648 4.735 -7.071 1.00 44.34 C ATOM 1895 O HIS A 499 2.966 4.150 -7.920 1.00 4.53 O ATOM 1896 CB HIS A 499 5.718 3.341 -6.610 1.00 43.01 C ATOM 1897 CG HIS A 499 6.689 2.767 -5.604 1.00 73.11 C ATOM 1898 ND1 HIS A 499 7.736 3.513 -5.110 1.00 32.33 N ATOM 1899 CD2 HIS A 499 6.731 1.533 -5.042 1.00 44.34 C ATOM 1900 CE1 HIS A 499 8.380 2.726 -4.270 1.00 4.00 C ATOM 1901 NE2 HIS A 499 7.811 1.515 -4.196 1.00 2.04 N ATOM 0 H HIS A 499 3.623 2.006 -5.853 1.00 60.22 H new ATOM 0 HA HIS A 499 4.710 4.650 -5.196 1.00 4.30 H new ATOM 0 HB2 HIS A 499 5.430 2.555 -7.308 1.00 43.01 H new ATOM 0 HB3 HIS A 499 6.227 4.111 -7.189 1.00 43.01 H new ATOM 0 HD2 HIS A 499 6.045 0.719 -5.226 1.00 44.34 H new ATOM 0 HE1 HIS A 499 9.256 3.021 -3.712 1.00 4.00 H new ATOM 0 HE2 HIS A 499 8.121 0.731 -3.622 1.00 2.04 H new ATOM 1909 N PHE A 500 3.769 6.073 -7.014 1.00 23.54 N ATOM 1910 CA PHE A 500 3.247 7.013 -8.035 1.00 30.24 C ATOM 1911 C PHE A 500 4.426 7.528 -8.907 1.00 42.11 C ATOM 1912 O PHE A 500 5.519 7.769 -8.371 1.00 62.33 O ATOM 1913 CB PHE A 500 2.559 8.241 -7.356 1.00 43.34 C ATOM 1914 CG PHE A 500 1.339 7.928 -6.481 1.00 21.40 C ATOM 1915 CD1 PHE A 500 1.460 7.166 -5.315 1.00 13.00 C ATOM 1916 CD2 PHE A 500 0.072 8.417 -6.813 1.00 63.54 C ATOM 1917 CE1 PHE A 500 0.363 6.902 -4.519 1.00 22.13 C ATOM 1918 CE2 PHE A 500 -1.021 8.151 -6.015 1.00 22.42 C ATOM 1919 CZ PHE A 500 -0.879 7.393 -4.869 1.00 30.32 C ATOM 0 H PHE A 500 4.241 6.546 -6.243 1.00 23.54 H new ATOM 0 HA PHE A 500 2.516 6.486 -8.648 1.00 30.24 H new ATOM 0 HB2 PHE A 500 3.300 8.754 -6.742 1.00 43.34 H new ATOM 0 HB3 PHE A 500 2.253 8.938 -8.136 1.00 43.34 H new ATOM 0 HD1 PHE A 500 2.427 6.778 -5.032 1.00 13.00 H new ATOM 0 HD2 PHE A 500 -0.053 9.011 -7.706 1.00 63.54 H new ATOM 0 HE1 PHE A 500 0.477 6.311 -3.622 1.00 22.13 H new ATOM 0 HE2 PHE A 500 -1.992 8.537 -6.287 1.00 22.42 H new ATOM 0 HZ PHE A 500 -1.738 7.185 -4.248 1.00 30.32 H new ATOM 1929 N PRO A 501 4.238 7.703 -10.259 1.00 64.02 N ATOM 1930 CA PRO A 501 5.236 8.405 -11.118 1.00 54.23 C ATOM 1931 C PRO A 501 5.422 9.883 -10.677 1.00 63.34 C ATOM 1932 O PRO A 501 6.537 10.309 -10.355 1.00 4.15 O ATOM 1933 CB PRO A 501 4.635 8.294 -12.553 1.00 41.22 C ATOM 1934 CG PRO A 501 3.655 7.154 -12.468 1.00 43.54 C ATOM 1935 CD PRO A 501 3.085 7.214 -11.064 1.00 50.43 C ATOM 0 HA PRO A 501 6.232 7.968 -11.053 1.00 54.23 H new ATOM 0 HB2 PRO A 501 4.141 9.220 -12.849 1.00 41.22 H new ATOM 0 HB3 PRO A 501 5.410 8.096 -13.293 1.00 41.22 H new ATOM 0 HG2 PRO A 501 2.868 7.256 -13.216 1.00 43.54 H new ATOM 0 HG3 PRO A 501 4.147 6.199 -12.651 1.00 43.54 H new ATOM 0 HD2 PRO A 501 2.233 7.891 -11.002 1.00 50.43 H new ATOM 0 HD3 PRO A 501 2.741 6.237 -10.725 1.00 50.43 H new ATOM 2024 N VAL A 508 2.348 13.747 -2.140 1.00 44.14 N ATOM 2025 CA VAL A 508 2.171 12.329 -2.524 1.00 62.42 C ATOM 2026 C VAL A 508 3.135 11.949 -3.668 1.00 15.23 C ATOM 2027 O VAL A 508 3.152 12.588 -4.719 1.00 22.11 O ATOM 2028 CB VAL A 508 0.690 12.024 -2.990 1.00 54.45 C ATOM 2029 CG1 VAL A 508 0.480 10.511 -3.275 1.00 1.31 C ATOM 2030 CG2 VAL A 508 -0.347 12.539 -1.968 1.00 31.41 C ATOM 0 HA VAL A 508 2.390 11.735 -1.637 1.00 62.42 H new ATOM 0 HB VAL A 508 0.534 12.565 -3.924 1.00 54.45 H new ATOM 0 HG11 VAL A 508 -0.549 10.340 -3.593 1.00 1.31 H new ATOM 0 HG12 VAL A 508 1.161 10.191 -4.064 1.00 1.31 H new ATOM 0 HG13 VAL A 508 0.680 9.939 -2.369 1.00 1.31 H new ATOM 0 HG21 VAL A 508 -1.352 12.311 -2.323 1.00 31.41 H new ATOM 0 HG22 VAL A 508 -0.183 12.053 -1.006 1.00 31.41 H new ATOM 0 HG23 VAL A 508 -0.239 13.617 -1.852 1.00 31.41 H new ATOM 2040 N ARG A 509 3.922 10.901 -3.443 1.00 35.52 N ATOM 2041 CA ARG A 509 4.803 10.290 -4.463 1.00 5.54 C ATOM 2042 C ARG A 509 4.815 8.752 -4.259 1.00 10.10 C ATOM 2043 O ARG A 509 5.002 7.981 -5.201 1.00 14.20 O ATOM 2044 CB ARG A 509 6.233 10.938 -4.382 1.00 63.24 C ATOM 2045 CG ARG A 509 7.282 10.424 -5.412 1.00 73.13 C ATOM 2046 CD ARG A 509 8.046 9.163 -4.947 1.00 64.03 C ATOM 2047 NE ARG A 509 8.712 8.467 -6.061 1.00 74.31 N ATOM 2048 CZ ARG A 509 8.660 7.171 -6.290 1.00 21.33 C ATOM 2049 NH1 ARG A 509 7.996 6.367 -5.512 1.00 21.14 N ATOM 2050 NH2 ARG A 509 9.267 6.691 -7.314 1.00 32.40 N ATOM 0 H ARG A 509 3.975 10.437 -2.536 1.00 35.52 H new ATOM 0 HA ARG A 509 4.431 10.482 -5.470 1.00 5.54 H new ATOM 0 HB2 ARG A 509 6.128 12.015 -4.509 1.00 63.24 H new ATOM 0 HB3 ARG A 509 6.628 10.772 -3.380 1.00 63.24 H new ATOM 0 HG2 ARG A 509 6.777 10.205 -6.353 1.00 73.13 H new ATOM 0 HG3 ARG A 509 8.000 11.219 -5.613 1.00 73.13 H new ATOM 0 HD2 ARG A 509 8.790 9.446 -4.203 1.00 64.03 H new ATOM 0 HD3 ARG A 509 7.351 8.480 -4.459 1.00 64.03 H new ATOM 0 HE ARG A 509 9.258 9.035 -6.708 1.00 74.31 H new ATOM 0 HH11 ARG A 509 7.499 6.736 -4.701 1.00 21.14 H new ATOM 0 HH12 ARG A 509 7.972 5.367 -5.713 1.00 21.14 H new ATOM 0 HH21 ARG A 509 9.782 7.311 -7.939 1.00 32.40 H new ATOM 0 HH22 ARG A 509 9.235 5.689 -7.503 1.00 32.40 H new ATOM 2064 N VAL A 510 4.636 8.334 -3.000 1.00 12.32 N ATOM 2065 CA VAL A 510 4.484 6.924 -2.603 1.00 22.54 C ATOM 2066 C VAL A 510 3.704 6.851 -1.266 1.00 75.11 C ATOM 2067 O VAL A 510 3.731 7.798 -0.468 1.00 73.11 O ATOM 2068 CB VAL A 510 5.893 6.217 -2.469 1.00 52.52 C ATOM 2069 CG1 VAL A 510 6.764 6.899 -1.391 1.00 71.13 C ATOM 2070 CG2 VAL A 510 5.763 4.689 -2.210 1.00 40.40 C ATOM 0 H VAL A 510 4.591 8.978 -2.210 1.00 12.32 H new ATOM 0 HA VAL A 510 3.925 6.396 -3.376 1.00 22.54 H new ATOM 0 HB VAL A 510 6.398 6.333 -3.428 1.00 52.52 H new ATOM 0 HG11 VAL A 510 7.725 6.389 -1.324 1.00 71.13 H new ATOM 0 HG12 VAL A 510 6.925 7.943 -1.660 1.00 71.13 H new ATOM 0 HG13 VAL A 510 6.257 6.847 -0.427 1.00 71.13 H new ATOM 0 HG21 VAL A 510 6.756 4.248 -2.125 1.00 40.40 H new ATOM 0 HG22 VAL A 510 5.212 4.522 -1.284 1.00 40.40 H new ATOM 0 HG23 VAL A 510 5.229 4.224 -3.039 1.00 40.40 H new ATOM 2080 N LEU A 511 2.982 5.746 -1.053 1.00 0.10 N ATOM 2081 CA LEU A 511 2.310 5.447 0.225 1.00 21.25 C ATOM 2082 C LEU A 511 2.426 3.945 0.540 1.00 33.30 C ATOM 2083 O LEU A 511 2.804 3.150 -0.329 1.00 4.04 O ATOM 2084 CB LEU A 511 0.828 5.947 0.193 1.00 4.23 C ATOM 2085 CG LEU A 511 -0.176 5.264 -0.817 1.00 30.44 C ATOM 2086 CD1 LEU A 511 -0.810 3.969 -0.250 1.00 31.10 C ATOM 2087 CD2 LEU A 511 -1.279 6.249 -1.273 1.00 52.31 C ATOM 0 H LEU A 511 2.844 5.027 -1.763 1.00 0.10 H new ATOM 0 HA LEU A 511 2.804 5.985 1.034 1.00 21.25 H new ATOM 0 HB2 LEU A 511 0.418 5.833 1.196 1.00 4.23 H new ATOM 0 HB3 LEU A 511 0.843 7.015 -0.026 1.00 4.23 H new ATOM 0 HG LEU A 511 0.418 4.979 -1.685 1.00 30.44 H new ATOM 0 HD11 LEU A 511 -1.491 3.544 -0.988 1.00 31.10 H new ATOM 0 HD12 LEU A 511 -0.024 3.248 -0.023 1.00 31.10 H new ATOM 0 HD13 LEU A 511 -1.362 4.202 0.661 1.00 31.10 H new ATOM 0 HD21 LEU A 511 -1.952 5.746 -1.967 1.00 52.31 H new ATOM 0 HD22 LEU A 511 -1.843 6.591 -0.405 1.00 52.31 H new ATOM 0 HD23 LEU A 511 -0.820 7.105 -1.768 1.00 52.31 H new ATOM 2099 N MET A 512 2.118 3.552 1.785 1.00 73.21 N ATOM 2100 CA MET A 512 2.165 2.134 2.206 1.00 15.54 C ATOM 2101 C MET A 512 0.747 1.598 2.481 1.00 41.51 C ATOM 2102 O MET A 512 -0.085 2.302 3.040 1.00 65.20 O ATOM 2103 CB MET A 512 3.084 1.969 3.460 1.00 64.20 C ATOM 2104 CG MET A 512 4.174 0.913 3.273 1.00 30.02 C ATOM 2105 SD MET A 512 3.497 -0.677 2.776 1.00 33.30 S ATOM 2106 CE MET A 512 4.995 -1.544 2.354 1.00 34.41 C ATOM 0 H MET A 512 1.832 4.195 2.524 1.00 73.21 H new ATOM 0 HA MET A 512 2.590 1.545 1.393 1.00 15.54 H new ATOM 0 HB2 MET A 512 3.551 2.927 3.689 1.00 64.20 H new ATOM 0 HB3 MET A 512 2.470 1.700 4.320 1.00 64.20 H new ATOM 0 HG2 MET A 512 4.884 1.255 2.520 1.00 30.02 H new ATOM 0 HG3 MET A 512 4.728 0.796 4.204 1.00 30.02 H new ATOM 0 HE1 MET A 512 4.851 -2.086 1.420 1.00 34.41 H new ATOM 0 HE2 MET A 512 5.809 -0.828 2.236 1.00 34.41 H new ATOM 0 HE3 MET A 512 5.244 -2.248 3.148 1.00 34.41 H new ATOM 2116 N LEU A 513 0.499 0.340 2.103 1.00 44.12 N ATOM 2117 CA LEU A 513 -0.815 -0.306 2.264 1.00 41.13 C ATOM 2118 C LEU A 513 -0.712 -1.446 3.300 1.00 0.42 C ATOM 2119 O LEU A 513 0.053 -2.401 3.116 1.00 53.25 O ATOM 2120 CB LEU A 513 -1.334 -0.844 0.906 1.00 21.10 C ATOM 2121 CG LEU A 513 -2.850 -1.196 0.883 1.00 51.22 C ATOM 2122 CD1 LEU A 513 -3.709 0.077 1.075 1.00 63.02 C ATOM 2123 CD2 LEU A 513 -3.238 -1.969 -0.397 1.00 72.31 C ATOM 0 H LEU A 513 1.202 -0.263 1.676 1.00 44.12 H new ATOM 0 HA LEU A 513 -1.529 0.435 2.624 1.00 41.13 H new ATOM 0 HB2 LEU A 513 -1.136 -0.099 0.136 1.00 21.10 H new ATOM 0 HB3 LEU A 513 -0.764 -1.735 0.642 1.00 21.10 H new ATOM 0 HG LEU A 513 -3.054 -1.862 1.721 1.00 51.22 H new ATOM 0 HD11 LEU A 513 -4.765 -0.191 1.056 1.00 63.02 H new ATOM 0 HD12 LEU A 513 -3.469 0.537 2.033 1.00 63.02 H new ATOM 0 HD13 LEU A 513 -3.499 0.782 0.271 1.00 63.02 H new ATOM 0 HD21 LEU A 513 -4.304 -2.196 -0.376 1.00 72.31 H new ATOM 0 HD22 LEU A 513 -3.015 -1.359 -1.272 1.00 72.31 H new ATOM 0 HD23 LEU A 513 -2.670 -2.898 -0.447 1.00 72.31 H new ATOM 2135 N LEU A 514 -1.493 -1.329 4.381 1.00 2.34 N ATOM 2136 CA LEU A 514 -1.437 -2.223 5.553 1.00 12.22 C ATOM 2137 C LEU A 514 -2.855 -2.638 5.970 1.00 13.13 C ATOM 2138 O LEU A 514 -3.635 -1.819 6.455 1.00 32.41 O ATOM 2139 CB LEU A 514 -0.715 -1.494 6.718 1.00 64.05 C ATOM 2140 CG LEU A 514 0.821 -1.296 6.517 1.00 13.20 C ATOM 2141 CD1 LEU A 514 1.410 -0.356 7.573 1.00 75.21 C ATOM 2142 CD2 LEU A 514 1.557 -2.655 6.503 1.00 71.21 C ATOM 0 H LEU A 514 -2.197 -0.597 4.471 1.00 2.34 H new ATOM 0 HA LEU A 514 -0.881 -3.125 5.298 1.00 12.22 H new ATOM 0 HB2 LEU A 514 -1.177 -0.517 6.858 1.00 64.05 H new ATOM 0 HB3 LEU A 514 -0.877 -2.058 7.636 1.00 64.05 H new ATOM 0 HG LEU A 514 0.968 -0.825 5.545 1.00 13.20 H new ATOM 0 HD11 LEU A 514 2.480 -0.242 7.402 1.00 75.21 H new ATOM 0 HD12 LEU A 514 0.925 0.618 7.504 1.00 75.21 H new ATOM 0 HD13 LEU A 514 1.244 -0.774 8.566 1.00 75.21 H new ATOM 0 HD21 LEU A 514 2.625 -2.489 6.362 1.00 71.21 H new ATOM 0 HD22 LEU A 514 1.392 -3.168 7.450 1.00 71.21 H new ATOM 0 HD23 LEU A 514 1.174 -3.268 5.687 1.00 71.21 H new ATOM 2154 N TYR A 515 -3.171 -3.915 5.759 1.00 22.31 N ATOM 2155 CA TYR A 515 -4.486 -4.490 6.071 1.00 52.40 C ATOM 2156 C TYR A 515 -4.811 -4.460 7.599 1.00 22.03 C ATOM 2157 O TYR A 515 -4.057 -4.989 8.423 1.00 41.41 O ATOM 2158 CB TYR A 515 -4.531 -5.940 5.520 1.00 2.44 C ATOM 2159 CG TYR A 515 -5.751 -6.755 5.958 1.00 12.52 C ATOM 2160 CD1 TYR A 515 -7.046 -6.254 5.798 1.00 0.11 C ATOM 2161 CD2 TYR A 515 -5.600 -8.017 6.545 1.00 62.12 C ATOM 2162 CE1 TYR A 515 -8.140 -6.987 6.222 1.00 64.44 C ATOM 2163 CE2 TYR A 515 -6.687 -8.749 6.958 1.00 24.02 C ATOM 2164 CZ TYR A 515 -7.952 -8.234 6.800 1.00 40.32 C ATOM 2165 OH TYR A 515 -9.025 -8.964 7.243 1.00 32.42 O ATOM 0 H TYR A 515 -2.517 -4.590 5.363 1.00 22.31 H new ATOM 0 HA TYR A 515 -5.253 -3.880 5.593 1.00 52.40 H new ATOM 0 HB2 TYR A 515 -4.510 -5.901 4.431 1.00 2.44 H new ATOM 0 HB3 TYR A 515 -3.629 -6.463 5.838 1.00 2.44 H new ATOM 0 HD1 TYR A 515 -7.194 -5.287 5.340 1.00 0.11 H new ATOM 0 HD2 TYR A 515 -4.608 -8.424 6.676 1.00 62.12 H new ATOM 0 HE1 TYR A 515 -9.137 -6.590 6.103 1.00 64.44 H new ATOM 0 HE2 TYR A 515 -6.549 -9.723 7.404 1.00 24.02 H new ATOM 0 HH TYR A 515 -8.711 -9.813 7.619 1.00 32.42 H new ATOM 2175 N SER A 516 -5.950 -3.824 7.944 1.00 64.01 N ATOM 2176 CA SER A 516 -6.535 -3.872 9.301 1.00 62.22 C ATOM 2177 C SER A 516 -7.362 -5.162 9.473 1.00 73.50 C ATOM 2178 O SER A 516 -8.454 -5.285 8.903 1.00 73.04 O ATOM 2179 CB SER A 516 -7.438 -2.640 9.557 1.00 2.33 C ATOM 2180 OG SER A 516 -8.029 -2.677 10.856 1.00 52.15 O ATOM 0 H SER A 516 -6.491 -3.261 7.288 1.00 64.01 H new ATOM 0 HA SER A 516 -5.719 -3.862 10.024 1.00 62.22 H new ATOM 0 HB2 SER A 516 -6.849 -1.729 9.452 1.00 2.33 H new ATOM 0 HB3 SER A 516 -8.223 -2.601 8.802 1.00 2.33 H new ATOM 0 HG SER A 516 -7.524 -2.095 11.462 1.00 52.15 H new ATOM 2186 N SER A 517 -6.824 -6.112 10.263 1.00 4.53 N ATOM 2187 CA SER A 517 -7.474 -7.418 10.563 1.00 2.42 C ATOM 2188 C SER A 517 -8.897 -7.266 11.163 1.00 53.53 C ATOM 2189 O SER A 517 -9.768 -8.115 10.938 1.00 10.23 O ATOM 2190 CB SER A 517 -6.590 -8.225 11.543 1.00 74.44 C ATOM 2191 OG SER A 517 -6.429 -7.541 12.783 1.00 63.24 O ATOM 0 H SER A 517 -5.918 -6.000 10.718 1.00 4.53 H new ATOM 0 HA SER A 517 -7.579 -7.943 9.614 1.00 2.42 H new ATOM 0 HB2 SER A 517 -7.040 -9.202 11.721 1.00 74.44 H new ATOM 0 HB3 SER A 517 -5.613 -8.401 11.093 1.00 74.44 H new ATOM 0 HG SER A 517 -5.867 -8.077 13.381 1.00 63.24 H new ATOM 2197 N LYS A 518 -9.116 -6.173 11.916 1.00 62.23 N ATOM 2198 CA LYS A 518 -10.389 -5.912 12.620 1.00 22.22 C ATOM 2199 C LYS A 518 -11.429 -5.237 11.694 1.00 1.42 C ATOM 2200 O LYS A 518 -12.539 -5.746 11.524 1.00 62.01 O ATOM 2201 CB LYS A 518 -10.126 -5.040 13.881 1.00 15.41 C ATOM 2202 CG LYS A 518 -9.113 -5.649 14.878 1.00 2.22 C ATOM 2203 CD LYS A 518 -9.511 -7.068 15.358 1.00 54.14 C ATOM 2204 CE LYS A 518 -8.434 -7.715 16.243 1.00 21.35 C ATOM 2205 NZ LYS A 518 -8.783 -9.111 16.605 1.00 10.22 N ATOM 0 H LYS A 518 -8.416 -5.444 12.055 1.00 62.23 H new ATOM 0 HA LYS A 518 -10.808 -6.870 12.928 1.00 22.22 H new ATOM 0 HB2 LYS A 518 -9.762 -4.063 13.563 1.00 15.41 H new ATOM 0 HB3 LYS A 518 -11.072 -4.875 14.398 1.00 15.41 H new ATOM 0 HG2 LYS A 518 -8.131 -5.693 14.407 1.00 2.22 H new ATOM 0 HG3 LYS A 518 -9.023 -4.991 15.743 1.00 2.22 H new ATOM 0 HD2 LYS A 518 -10.447 -7.011 15.914 1.00 54.14 H new ATOM 0 HD3 LYS A 518 -9.694 -7.703 14.491 1.00 54.14 H new ATOM 0 HE2 LYS A 518 -7.478 -7.704 15.719 1.00 21.35 H new ATOM 0 HE3 LYS A 518 -8.307 -7.125 17.151 1.00 21.35 H new ATOM 0 HZ1 LYS A 518 -8.032 -9.513 17.202 1.00 10.22 H new ATOM 0 HZ2 LYS A 518 -9.682 -9.120 17.127 1.00 10.22 H new ATOM 0 HZ3 LYS A 518 -8.879 -9.680 15.740 1.00 10.22 H new ATOM 2219 N LYS A 519 -11.044 -4.104 11.078 1.00 20.53 N ATOM 2220 CA LYS A 519 -11.967 -3.276 10.251 1.00 12.45 C ATOM 2221 C LYS A 519 -12.264 -3.887 8.859 1.00 20.51 C ATOM 2222 O LYS A 519 -13.229 -3.462 8.210 1.00 32.45 O ATOM 2223 CB LYS A 519 -11.417 -1.821 10.087 1.00 71.32 C ATOM 2224 CG LYS A 519 -11.816 -0.829 11.200 1.00 30.30 C ATOM 2225 CD LYS A 519 -11.361 -1.269 12.604 1.00 20.24 C ATOM 2226 CE LYS A 519 -11.797 -0.276 13.689 1.00 14.31 C ATOM 2227 NZ LYS A 519 -11.445 -0.751 15.046 1.00 41.23 N ATOM 0 H LYS A 519 -10.096 -3.732 11.133 1.00 20.53 H new ATOM 0 HA LYS A 519 -12.911 -3.252 10.795 1.00 12.45 H new ATOM 0 HB2 LYS A 519 -10.329 -1.866 10.038 1.00 71.32 H new ATOM 0 HB3 LYS A 519 -11.763 -1.426 9.132 1.00 71.32 H new ATOM 0 HG2 LYS A 519 -11.387 0.148 10.977 1.00 30.30 H new ATOM 0 HG3 LYS A 519 -12.899 -0.709 11.198 1.00 30.30 H new ATOM 0 HD2 LYS A 519 -11.774 -2.253 12.827 1.00 20.24 H new ATOM 0 HD3 LYS A 519 -10.276 -1.368 12.619 1.00 20.24 H new ATOM 0 HE2 LYS A 519 -11.324 0.689 13.508 1.00 14.31 H new ATOM 0 HE3 LYS A 519 -12.874 -0.120 13.627 1.00 14.31 H new ATOM 0 HZ1 LYS A 519 -11.757 -0.052 15.750 1.00 41.23 H new ATOM 0 HZ2 LYS A 519 -11.916 -1.660 15.229 1.00 41.23 H new ATOM 0 HZ3 LYS A 519 -10.415 -0.875 15.114 1.00 41.23 H new ATOM 2241 N LYS A 520 -11.419 -4.849 8.409 1.00 31.01 N ATOM 2242 CA LYS A 520 -11.476 -5.433 7.034 1.00 52.42 C ATOM 2243 C LYS A 520 -11.133 -4.391 5.929 1.00 30.14 C ATOM 2244 O LYS A 520 -11.341 -4.647 4.735 1.00 61.23 O ATOM 2245 CB LYS A 520 -12.853 -6.139 6.761 1.00 15.23 C ATOM 2246 CG LYS A 520 -12.948 -7.595 7.264 1.00 32.15 C ATOM 2247 CD LYS A 520 -12.041 -8.545 6.453 1.00 22.15 C ATOM 2248 CE LYS A 520 -12.068 -9.987 6.978 1.00 44.51 C ATOM 2249 NZ LYS A 520 -11.123 -10.849 6.229 1.00 62.54 N ATOM 0 H LYS A 520 -10.677 -5.245 8.985 1.00 31.01 H new ATOM 0 HA LYS A 520 -10.701 -6.198 6.988 1.00 52.42 H new ATOM 0 HB2 LYS A 520 -13.644 -5.555 7.232 1.00 15.23 H new ATOM 0 HB3 LYS A 520 -13.044 -6.128 5.688 1.00 15.23 H new ATOM 0 HG2 LYS A 520 -12.666 -7.635 8.316 1.00 32.15 H new ATOM 0 HG3 LYS A 520 -13.981 -7.935 7.198 1.00 32.15 H new ATOM 0 HD2 LYS A 520 -12.356 -8.537 5.409 1.00 22.15 H new ATOM 0 HD3 LYS A 520 -11.017 -8.173 6.480 1.00 22.15 H new ATOM 0 HE2 LYS A 520 -11.811 -9.996 8.037 1.00 44.51 H new ATOM 0 HE3 LYS A 520 -13.077 -10.389 6.892 1.00 44.51 H new ATOM 0 HZ1 LYS A 520 -11.163 -11.817 6.606 1.00 62.54 H new ATOM 0 HZ2 LYS A 520 -11.385 -10.858 5.222 1.00 62.54 H new ATOM 0 HZ3 LYS A 520 -10.157 -10.477 6.332 1.00 62.54 H new ATOM 2263 N ILE A 521 -10.589 -3.228 6.339 1.00 15.05 N ATOM 2264 CA ILE A 521 -10.129 -2.172 5.414 1.00 3.55 C ATOM 2265 C ILE A 521 -8.609 -2.304 5.181 1.00 51.41 C ATOM 2266 O ILE A 521 -7.898 -2.917 5.985 1.00 21.11 O ATOM 2267 CB ILE A 521 -10.458 -0.719 5.957 1.00 2.15 C ATOM 2268 CG1 ILE A 521 -9.584 -0.364 7.212 1.00 35.04 C ATOM 2269 CG2 ILE A 521 -11.972 -0.577 6.276 1.00 74.43 C ATOM 2270 CD1 ILE A 521 -9.822 1.019 7.810 1.00 23.11 C ATOM 0 H ILE A 521 -10.456 -2.994 7.323 1.00 15.05 H new ATOM 0 HA ILE A 521 -10.665 -2.305 4.474 1.00 3.55 H new ATOM 0 HB ILE A 521 -10.208 -0.007 5.170 1.00 2.15 H new ATOM 0 HG12 ILE A 521 -9.769 -1.111 7.984 1.00 35.04 H new ATOM 0 HG13 ILE A 521 -8.533 -0.445 6.935 1.00 35.04 H new ATOM 0 HG21 ILE A 521 -12.173 0.428 6.647 1.00 74.43 H new ATOM 0 HG22 ILE A 521 -12.553 -0.753 5.370 1.00 74.43 H new ATOM 0 HG23 ILE A 521 -12.254 -1.307 7.035 1.00 74.43 H new ATOM 0 HD11 ILE A 521 -9.168 1.161 8.670 1.00 23.11 H new ATOM 0 HD12 ILE A 521 -9.607 1.781 7.061 1.00 23.11 H new ATOM 0 HD13 ILE A 521 -10.862 1.105 8.126 1.00 23.11 H new ATOM 2282 N PHE A 522 -8.119 -1.731 4.082 1.00 53.53 N ATOM 2283 CA PHE A 522 -6.676 -1.631 3.803 1.00 41.41 C ATOM 2284 C PHE A 522 -6.209 -0.191 4.075 1.00 60.40 C ATOM 2285 O PHE A 522 -6.584 0.738 3.363 1.00 63.31 O ATOM 2286 CB PHE A 522 -6.382 -2.076 2.350 1.00 61.04 C ATOM 2287 CG PHE A 522 -6.503 -3.587 2.138 1.00 71.22 C ATOM 2288 CD1 PHE A 522 -7.750 -4.207 2.097 1.00 11.41 C ATOM 2289 CD2 PHE A 522 -5.365 -4.387 2.005 1.00 44.32 C ATOM 2290 CE1 PHE A 522 -7.857 -5.569 1.922 1.00 3.24 C ATOM 2291 CE2 PHE A 522 -5.477 -5.751 1.831 1.00 25.22 C ATOM 2292 CZ PHE A 522 -6.722 -6.342 1.787 1.00 54.01 C ATOM 0 H PHE A 522 -8.707 -1.321 3.356 1.00 53.53 H new ATOM 0 HA PHE A 522 -6.118 -2.298 4.460 1.00 41.41 H new ATOM 0 HB2 PHE A 522 -7.070 -1.566 1.676 1.00 61.04 H new ATOM 0 HB3 PHE A 522 -5.375 -1.758 2.078 1.00 61.04 H new ATOM 0 HD1 PHE A 522 -8.645 -3.612 2.204 1.00 11.41 H new ATOM 0 HD2 PHE A 522 -4.386 -3.932 2.039 1.00 44.32 H new ATOM 0 HE1 PHE A 522 -8.832 -6.033 1.890 1.00 3.24 H new ATOM 0 HE2 PHE A 522 -4.589 -6.357 1.729 1.00 25.22 H new ATOM 0 HZ PHE A 522 -6.809 -7.409 1.647 1.00 54.01 H new ATOM 2302 N MET A 523 -5.429 -0.012 5.149 1.00 4.33 N ATOM 2303 CA MET A 523 -4.969 1.336 5.584 1.00 73.23 C ATOM 2304 C MET A 523 -3.829 1.882 4.685 1.00 24.22 C ATOM 2305 O MET A 523 -2.813 1.224 4.482 1.00 0.02 O ATOM 2306 CB MET A 523 -4.519 1.313 7.074 1.00 53.33 C ATOM 2307 CG MET A 523 -5.605 0.819 8.044 1.00 22.14 C ATOM 2308 SD MET A 523 -5.263 1.254 9.763 1.00 23.43 S ATOM 2309 CE MET A 523 -6.832 0.872 10.549 1.00 23.10 C ATOM 0 H MET A 523 -5.098 -0.775 5.739 1.00 4.33 H new ATOM 0 HA MET A 523 -5.819 2.011 5.482 1.00 73.23 H new ATOM 0 HB2 MET A 523 -3.642 0.673 7.169 1.00 53.33 H new ATOM 0 HB3 MET A 523 -4.213 2.317 7.367 1.00 53.33 H new ATOM 0 HG2 MET A 523 -6.566 1.242 7.752 1.00 22.14 H new ATOM 0 HG3 MET A 523 -5.695 -0.264 7.960 1.00 22.14 H new ATOM 0 HE1 MET A 523 -7.306 1.795 10.882 1.00 23.10 H new ATOM 0 HE2 MET A 523 -7.483 0.367 9.835 1.00 23.10 H new ATOM 0 HE3 MET A 523 -6.660 0.222 11.407 1.00 23.10 H new ATOM 2319 N GLY A 524 -4.020 3.108 4.176 1.00 55.22 N ATOM 2320 CA GLY A 524 -3.051 3.787 3.307 1.00 1.23 C ATOM 2321 C GLY A 524 -2.335 4.924 4.043 1.00 14.33 C ATOM 2322 O GLY A 524 -2.973 5.875 4.492 1.00 22.14 O ATOM 0 H GLY A 524 -4.858 3.659 4.358 1.00 55.22 H new ATOM 0 HA2 GLY A 524 -2.317 3.066 2.947 1.00 1.23 H new ATOM 0 HA3 GLY A 524 -3.563 4.185 2.431 1.00 1.23 H new ATOM 2326 N LEU A 525 -1.013 4.822 4.188 1.00 30.10 N ATOM 2327 CA LEU A 525 -0.192 5.804 4.925 1.00 2.11 C ATOM 2328 C LEU A 525 0.665 6.633 3.956 1.00 43.44 C ATOM 2329 O LEU A 525 1.625 6.116 3.385 1.00 24.13 O ATOM 2330 CB LEU A 525 0.690 5.038 5.945 1.00 10.41 C ATOM 2331 CG LEU A 525 -0.106 4.404 7.132 1.00 72.32 C ATOM 2332 CD1 LEU A 525 0.684 3.287 7.824 1.00 64.35 C ATOM 2333 CD2 LEU A 525 -0.529 5.492 8.143 1.00 72.22 C ATOM 0 H LEU A 525 -0.471 4.052 3.797 1.00 30.10 H new ATOM 0 HA LEU A 525 -0.836 6.503 5.458 1.00 2.11 H new ATOM 0 HB2 LEU A 525 1.229 4.249 5.421 1.00 10.41 H new ATOM 0 HB3 LEU A 525 1.437 5.722 6.348 1.00 10.41 H new ATOM 0 HG LEU A 525 -1.004 3.947 6.717 1.00 72.32 H new ATOM 0 HD11 LEU A 525 0.092 2.876 8.642 1.00 64.35 H new ATOM 0 HD12 LEU A 525 0.906 2.499 7.105 1.00 64.35 H new ATOM 0 HD13 LEU A 525 1.616 3.691 8.218 1.00 64.35 H new ATOM 0 HD21 LEU A 525 -1.082 5.032 8.962 1.00 72.22 H new ATOM 0 HD22 LEU A 525 0.358 5.987 8.537 1.00 72.22 H new ATOM 0 HD23 LEU A 525 -1.163 6.225 7.644 1.00 72.22 H new ATOM 2345 N ILE A 526 0.297 7.919 3.775 1.00 51.23 N ATOM 2346 CA ILE A 526 1.024 8.851 2.887 1.00 42.32 C ATOM 2347 C ILE A 526 2.003 9.714 3.728 1.00 65.01 C ATOM 2348 O ILE A 526 1.566 10.618 4.457 1.00 40.14 O ATOM 2349 CB ILE A 526 0.049 9.797 2.087 1.00 61.33 C ATOM 2350 CG1 ILE A 526 -1.081 8.980 1.373 1.00 53.03 C ATOM 2351 CG2 ILE A 526 0.841 10.670 1.075 1.00 13.33 C ATOM 2352 CD1 ILE A 526 -2.123 9.825 0.648 1.00 62.45 C ATOM 0 H ILE A 526 -0.509 8.339 4.238 1.00 51.23 H new ATOM 0 HA ILE A 526 1.572 8.250 2.161 1.00 42.32 H new ATOM 0 HB ILE A 526 -0.435 10.463 2.801 1.00 61.33 H new ATOM 0 HG12 ILE A 526 -0.620 8.302 0.655 1.00 53.03 H new ATOM 0 HG13 ILE A 526 -1.587 8.363 2.115 1.00 53.03 H new ATOM 0 HG21 ILE A 526 0.150 11.316 0.533 1.00 13.33 H new ATOM 0 HG22 ILE A 526 1.565 11.283 1.612 1.00 13.33 H new ATOM 0 HG23 ILE A 526 1.364 10.025 0.369 1.00 13.33 H new ATOM 0 HD11 ILE A 526 -2.863 9.172 0.185 1.00 62.45 H new ATOM 0 HD12 ILE A 526 -2.617 10.485 1.361 1.00 62.45 H new ATOM 0 HD13 ILE A 526 -1.635 10.423 -0.122 1.00 62.45 H new ATOM 2364 N PRO A 527 3.338 9.431 3.675 1.00 3.50 N ATOM 2365 CA PRO A 527 4.346 10.223 4.404 1.00 60.41 C ATOM 2366 C PRO A 527 4.765 11.491 3.616 1.00 41.15 C ATOM 2367 O PRO A 527 5.282 11.401 2.505 1.00 52.45 O ATOM 2368 CB PRO A 527 5.509 9.212 4.564 1.00 23.24 C ATOM 2369 CG PRO A 527 5.430 8.346 3.331 1.00 53.13 C ATOM 2370 CD PRO A 527 3.972 8.325 2.901 1.00 51.24 C ATOM 0 HA PRO A 527 3.989 10.617 5.356 1.00 60.41 H new ATOM 0 HB2 PRO A 527 6.471 9.721 4.631 1.00 23.24 H new ATOM 0 HB3 PRO A 527 5.398 8.620 5.472 1.00 23.24 H new ATOM 0 HG2 PRO A 527 6.061 8.745 2.537 1.00 53.13 H new ATOM 0 HG3 PRO A 527 5.785 7.338 3.544 1.00 53.13 H new ATOM 0 HD2 PRO A 527 3.873 8.484 1.827 1.00 51.24 H new ATOM 0 HD3 PRO A 527 3.506 7.366 3.125 1.00 51.24 H new ATOM 2378 N TYR A 528 4.523 12.679 4.206 1.00 52.03 N ATOM 2379 CA TYR A 528 4.942 13.977 3.616 1.00 45.44 C ATOM 2380 C TYR A 528 6.482 14.041 3.461 1.00 32.12 C ATOM 2381 O TYR A 528 7.006 14.759 2.607 1.00 24.21 O ATOM 2382 CB TYR A 528 4.426 15.144 4.484 1.00 23.02 C ATOM 2383 CG TYR A 528 2.896 15.196 4.606 1.00 60.21 C ATOM 2384 CD1 TYR A 528 2.224 14.502 5.619 1.00 50.44 C ATOM 2385 CD2 TYR A 528 2.123 15.935 3.701 1.00 31.23 C ATOM 2386 CE1 TYR A 528 0.847 14.546 5.727 1.00 62.21 C ATOM 2387 CE2 TYR A 528 0.747 15.984 3.812 1.00 51.20 C ATOM 2388 CZ TYR A 528 0.113 15.290 4.824 1.00 2.53 C ATOM 2389 OH TYR A 528 -1.258 15.351 4.943 1.00 75.20 O ATOM 0 H TYR A 528 4.036 12.771 5.098 1.00 52.03 H new ATOM 0 HA TYR A 528 4.505 14.065 2.621 1.00 45.44 H new ATOM 0 HB2 TYR A 528 4.858 15.062 5.481 1.00 23.02 H new ATOM 0 HB3 TYR A 528 4.780 16.084 4.060 1.00 23.02 H new ATOM 0 HD1 TYR A 528 2.793 13.921 6.330 1.00 50.44 H new ATOM 0 HD2 TYR A 528 2.611 16.475 2.903 1.00 31.23 H new ATOM 0 HE1 TYR A 528 0.347 14.001 6.514 1.00 62.21 H new ATOM 0 HE2 TYR A 528 0.168 16.564 3.109 1.00 51.20 H new ATOM 0 HH TYR A 528 -1.578 16.213 4.603 1.00 75.20 H new ATOM 2399 N ASP A 529 7.186 13.257 4.300 1.00 23.53 N ATOM 2400 CA ASP A 529 8.629 12.974 4.157 1.00 22.43 C ATOM 2401 C ASP A 529 8.844 11.933 3.021 1.00 54.32 C ATOM 2402 O ASP A 529 9.260 10.793 3.266 1.00 2.40 O ATOM 2403 CB ASP A 529 9.196 12.438 5.501 1.00 62.24 C ATOM 2404 CG ASP A 529 8.907 13.362 6.688 1.00 62.43 C ATOM 2405 OD1 ASP A 529 7.744 13.403 7.141 1.00 50.43 O ATOM 2406 OD2 ASP A 529 9.826 14.065 7.161 1.00 45.42 O ATOM 0 H ASP A 529 6.764 12.796 5.106 1.00 23.53 H new ATOM 0 HA ASP A 529 9.157 13.892 3.899 1.00 22.43 H new ATOM 0 HB2 ASP A 529 8.770 11.455 5.702 1.00 62.24 H new ATOM 0 HB3 ASP A 529 10.274 12.305 5.406 1.00 62.24 H new ATOM 2411 N GLN A 530 8.519 12.345 1.782 1.00 4.32 N ATOM 2412 CA GLN A 530 8.554 11.467 0.594 1.00 12.50 C ATOM 2413 C GLN A 530 9.989 11.009 0.254 1.00 21.23 C ATOM 2414 O GLN A 530 10.218 9.825 0.013 1.00 53.15 O ATOM 2415 CB GLN A 530 7.891 12.183 -0.623 1.00 61.30 C ATOM 2416 CG GLN A 530 6.343 12.278 -0.550 1.00 40.23 C ATOM 2417 CD GLN A 530 5.659 10.902 -0.629 1.00 33.51 C ATOM 2418 OE1 GLN A 530 6.177 9.983 -1.241 1.00 11.30 O ATOM 2419 NE2 GLN A 530 4.483 10.752 -0.059 1.00 22.51 N ATOM 0 H GLN A 530 8.224 13.299 1.574 1.00 4.32 H new ATOM 0 HA GLN A 530 7.983 10.568 0.827 1.00 12.50 H new ATOM 0 HB2 GLN A 530 8.301 13.190 -0.703 1.00 61.30 H new ATOM 0 HB3 GLN A 530 8.167 11.653 -1.535 1.00 61.30 H new ATOM 0 HG2 GLN A 530 6.057 12.769 0.380 1.00 40.23 H new ATOM 0 HG3 GLN A 530 5.983 12.906 -1.365 1.00 40.23 H new ATOM 0 HE21 GLN A 530 4.060 11.528 0.450 1.00 22.51 H new ATOM 0 HE22 GLN A 530 3.994 9.859 -0.126 1.00 22.51 H new ATOM 2428 N SER A 531 10.948 11.954 0.267 1.00 14.23 N ATOM 2429 CA SER A 531 12.383 11.653 0.001 1.00 2.32 C ATOM 2430 C SER A 531 12.971 10.700 1.074 1.00 64.24 C ATOM 2431 O SER A 531 13.745 9.796 0.748 1.00 75.24 O ATOM 2432 CB SER A 531 13.212 12.961 -0.055 1.00 75.30 C ATOM 2433 OG SER A 531 12.746 13.826 -1.081 1.00 73.50 O ATOM 0 H SER A 531 10.762 12.938 0.459 1.00 14.23 H new ATOM 0 HA SER A 531 12.440 11.153 -0.966 1.00 2.32 H new ATOM 0 HB2 SER A 531 13.155 13.471 0.907 1.00 75.30 H new ATOM 0 HB3 SER A 531 14.261 12.722 -0.227 1.00 75.30 H new ATOM 0 HG SER A 531 13.287 14.643 -1.091 1.00 73.50 H new ATOM 2439 N GLY A 532 12.566 10.913 2.345 1.00 62.23 N ATOM 2440 CA GLY A 532 13.012 10.084 3.479 1.00 74.23 C ATOM 2441 C GLY A 532 12.437 8.660 3.458 1.00 63.24 C ATOM 2442 O GLY A 532 13.127 7.696 3.827 1.00 34.13 O ATOM 0 H GLY A 532 11.925 11.661 2.610 1.00 62.23 H new ATOM 0 HA2 GLY A 532 14.101 10.028 3.472 1.00 74.23 H new ATOM 0 HA3 GLY A 532 12.723 10.571 4.411 1.00 74.23 H new ATOM 2446 N PHE A 533 11.169 8.528 3.018 1.00 30.23 N ATOM 2447 CA PHE A 533 10.482 7.221 2.927 1.00 71.41 C ATOM 2448 C PHE A 533 11.053 6.380 1.767 1.00 63.12 C ATOM 2449 O PHE A 533 11.384 5.214 1.961 1.00 51.24 O ATOM 2450 CB PHE A 533 8.956 7.405 2.763 1.00 55.10 C ATOM 2451 CG PHE A 533 8.149 6.097 2.853 1.00 25.31 C ATOM 2452 CD1 PHE A 533 7.868 5.512 4.093 1.00 54.33 C ATOM 2453 CD2 PHE A 533 7.662 5.462 1.708 1.00 74.13 C ATOM 2454 CE1 PHE A 533 7.135 4.343 4.177 1.00 64.12 C ATOM 2455 CE2 PHE A 533 6.931 4.292 1.794 1.00 23.20 C ATOM 2456 CZ PHE A 533 6.668 3.733 3.029 1.00 15.35 C ATOM 0 H PHE A 533 10.596 9.316 2.718 1.00 30.23 H new ATOM 0 HA PHE A 533 10.661 6.686 3.860 1.00 71.41 H new ATOM 0 HB2 PHE A 533 8.600 8.092 3.531 1.00 55.10 H new ATOM 0 HB3 PHE A 533 8.760 7.874 1.799 1.00 55.10 H new ATOM 0 HD1 PHE A 533 8.229 5.980 4.997 1.00 54.33 H new ATOM 0 HD2 PHE A 533 7.860 5.893 0.738 1.00 74.13 H new ATOM 0 HE1 PHE A 533 6.927 3.906 5.142 1.00 64.12 H new ATOM 0 HE2 PHE A 533 6.566 3.816 0.896 1.00 23.20 H new ATOM 0 HZ PHE A 533 6.097 2.819 3.097 1.00 15.35 H new ATOM 2466 N VAL A 534 11.171 6.999 0.569 1.00 74.12 N ATOM 2467 CA VAL A 534 11.748 6.343 -0.638 1.00 40.13 C ATOM 2468 C VAL A 534 13.227 5.945 -0.406 1.00 2.32 C ATOM 2469 O VAL A 534 13.672 4.940 -0.936 1.00 2.15 O ATOM 2470 CB VAL A 534 11.632 7.260 -1.924 1.00 43.23 C ATOM 2471 CG1 VAL A 534 12.311 6.624 -3.175 1.00 33.32 C ATOM 2472 CG2 VAL A 534 10.156 7.597 -2.233 1.00 51.23 C ATOM 0 H VAL A 534 10.872 7.961 0.408 1.00 74.12 H new ATOM 0 HA VAL A 534 11.163 5.440 -0.813 1.00 40.13 H new ATOM 0 HB VAL A 534 12.167 8.182 -1.696 1.00 43.23 H new ATOM 0 HG11 VAL A 534 12.202 7.294 -4.028 1.00 33.32 H new ATOM 0 HG12 VAL A 534 13.370 6.464 -2.972 1.00 33.32 H new ATOM 0 HG13 VAL A 534 11.836 5.669 -3.401 1.00 33.32 H new ATOM 0 HG21 VAL A 534 10.105 8.228 -3.121 1.00 51.23 H new ATOM 0 HG22 VAL A 534 9.602 6.675 -2.410 1.00 51.23 H new ATOM 0 HG23 VAL A 534 9.719 8.126 -1.386 1.00 51.23 H new ATOM 2482 N ASN A 535 13.964 6.740 0.400 1.00 71.30 N ATOM 2483 CA ASN A 535 15.342 6.418 0.823 1.00 41.12 C ATOM 2484 C ASN A 535 15.385 5.071 1.601 1.00 15.22 C ATOM 2485 O ASN A 535 16.227 4.206 1.322 1.00 23.33 O ATOM 2486 CB ASN A 535 15.876 7.576 1.699 1.00 51.10 C ATOM 2487 CG ASN A 535 17.279 7.353 2.250 1.00 55.34 C ATOM 2488 OD1 ASN A 535 18.141 6.757 1.608 1.00 4.21 O ATOM 2489 ND2 ASN A 535 17.516 7.826 3.450 1.00 3.11 N ATOM 0 H ASN A 535 13.619 7.623 0.775 1.00 71.30 H new ATOM 0 HA ASN A 535 15.974 6.304 -0.057 1.00 41.12 H new ATOM 0 HB2 ASN A 535 15.872 8.493 1.110 1.00 51.10 H new ATOM 0 HB3 ASN A 535 15.191 7.730 2.533 1.00 51.10 H new ATOM 0 HD21 ASN A 535 18.436 7.703 3.874 1.00 3.11 H new ATOM 0 HD22 ASN A 535 16.781 8.317 3.959 1.00 3.11 H new ATOM 2496 N GLY A 536 14.450 4.917 2.563 1.00 35.24 N ATOM 2497 CA GLY A 536 14.300 3.668 3.323 1.00 63.31 C ATOM 2498 C GLY A 536 13.864 2.484 2.447 1.00 42.55 C ATOM 2499 O GLY A 536 14.429 1.388 2.546 1.00 72.33 O ATOM 0 H GLY A 536 13.789 5.647 2.828 1.00 35.24 H new ATOM 0 HA2 GLY A 536 15.247 3.427 3.806 1.00 63.31 H new ATOM 0 HA3 GLY A 536 13.567 3.817 4.115 1.00 63.31 H new ATOM 2503 N ILE A 537 12.868 2.733 1.573 1.00 72.12 N ATOM 2504 CA ILE A 537 12.365 1.749 0.581 1.00 63.52 C ATOM 2505 C ILE A 537 13.478 1.325 -0.401 1.00 3.43 C ATOM 2506 O ILE A 537 13.562 0.158 -0.767 1.00 20.33 O ATOM 2507 CB ILE A 537 11.123 2.324 -0.212 1.00 60.32 C ATOM 2508 CG1 ILE A 537 9.929 2.584 0.754 1.00 10.22 C ATOM 2509 CG2 ILE A 537 10.675 1.406 -1.384 1.00 51.34 C ATOM 2510 CD1 ILE A 537 9.365 1.340 1.424 1.00 42.11 C ATOM 0 H ILE A 537 12.383 3.629 1.532 1.00 72.12 H new ATOM 0 HA ILE A 537 12.042 0.866 1.133 1.00 63.52 H new ATOM 0 HB ILE A 537 11.446 3.267 -0.653 1.00 60.32 H new ATOM 0 HG12 ILE A 537 10.251 3.281 1.527 1.00 10.22 H new ATOM 0 HG13 ILE A 537 9.130 3.073 0.197 1.00 10.22 H new ATOM 0 HG21 ILE A 537 9.819 1.853 -1.890 1.00 51.34 H new ATOM 0 HG22 ILE A 537 11.496 1.292 -2.092 1.00 51.34 H new ATOM 0 HG23 ILE A 537 10.395 0.428 -0.993 1.00 51.34 H new ATOM 0 HD11 ILE A 537 8.539 1.621 2.077 1.00 42.11 H new ATOM 0 HD12 ILE A 537 9.006 0.647 0.662 1.00 42.11 H new ATOM 0 HD13 ILE A 537 10.145 0.859 2.013 1.00 42.11 H new ATOM 2522 N ARG A 538 14.358 2.278 -0.752 1.00 1.11 N ATOM 2523 CA ARG A 538 15.458 2.075 -1.722 1.00 23.42 C ATOM 2524 C ARG A 538 16.455 0.996 -1.234 1.00 30.32 C ATOM 2525 O ARG A 538 17.063 0.282 -2.038 1.00 13.20 O ATOM 2526 CB ARG A 538 16.181 3.421 -1.981 1.00 54.31 C ATOM 2527 CG ARG A 538 17.162 3.406 -3.169 1.00 3.21 C ATOM 2528 CD ARG A 538 17.796 4.781 -3.434 1.00 24.53 C ATOM 2529 NE ARG A 538 18.608 4.796 -4.664 1.00 72.41 N ATOM 2530 CZ ARG A 538 19.479 5.727 -4.989 1.00 42.34 C ATOM 2531 NH1 ARG A 538 19.783 6.687 -4.167 1.00 51.12 N ATOM 2532 NH2 ARG A 538 20.068 5.676 -6.137 1.00 54.14 N ATOM 0 H ARG A 538 14.329 3.223 -0.368 1.00 1.11 H new ATOM 0 HA ARG A 538 15.030 1.715 -2.658 1.00 23.42 H new ATOM 0 HB2 ARG A 538 15.431 4.193 -2.156 1.00 54.31 H new ATOM 0 HB3 ARG A 538 16.726 3.704 -1.081 1.00 54.31 H new ATOM 0 HG2 ARG A 538 17.950 2.679 -2.974 1.00 3.21 H new ATOM 0 HG3 ARG A 538 16.636 3.074 -4.064 1.00 3.21 H new ATOM 0 HD2 ARG A 538 17.010 5.532 -3.511 1.00 24.53 H new ATOM 0 HD3 ARG A 538 18.421 5.060 -2.586 1.00 24.53 H new ATOM 0 HE ARG A 538 18.485 4.022 -5.316 1.00 72.41 H new ATOM 0 HH11 ARG A 538 19.343 6.730 -3.248 1.00 51.12 H new ATOM 0 HH12 ARG A 538 20.461 7.398 -4.441 1.00 51.12 H new ATOM 0 HH21 ARG A 538 19.857 4.917 -6.785 1.00 54.14 H new ATOM 0 HH22 ARG A 538 20.744 6.394 -6.396 1.00 54.14 H new ATOM 2546 N GLN A 539 16.583 0.889 0.093 1.00 72.41 N ATOM 2547 CA GLN A 539 17.425 -0.124 0.759 1.00 15.12 C ATOM 2548 C GLN A 539 16.740 -1.516 0.787 1.00 31.24 C ATOM 2549 O GLN A 539 17.419 -2.548 0.770 1.00 33.51 O ATOM 2550 CB GLN A 539 17.735 0.356 2.207 1.00 11.14 C ATOM 2551 CG GLN A 539 18.437 1.741 2.304 1.00 75.14 C ATOM 2552 CD GLN A 539 19.883 1.785 1.758 1.00 11.55 C ATOM 2553 OE1 GLN A 539 20.265 1.054 0.849 1.00 33.31 O ATOM 2554 NE2 GLN A 539 20.705 2.660 2.308 1.00 42.41 N ATOM 0 H GLN A 539 16.102 1.507 0.746 1.00 72.41 H new ATOM 0 HA GLN A 539 18.350 -0.235 0.193 1.00 15.12 H new ATOM 0 HB2 GLN A 539 16.801 0.399 2.767 1.00 11.14 H new ATOM 0 HB3 GLN A 539 18.365 -0.389 2.694 1.00 11.14 H new ATOM 0 HG2 GLN A 539 17.838 2.473 1.762 1.00 75.14 H new ATOM 0 HG3 GLN A 539 18.450 2.051 3.349 1.00 75.14 H new ATOM 0 HE21 GLN A 539 20.378 3.263 3.063 1.00 42.41 H new ATOM 0 HE22 GLN A 539 21.667 2.733 1.978 1.00 42.41 H new ATOM 2563 N VAL A 540 15.391 -1.524 0.831 1.00 55.03 N ATOM 2564 CA VAL A 540 14.578 -2.764 0.999 1.00 1.45 C ATOM 2565 C VAL A 540 13.657 -3.077 -0.223 1.00 63.31 C ATOM 2566 O VAL A 540 12.647 -3.786 -0.087 1.00 71.21 O ATOM 2567 CB VAL A 540 13.723 -2.688 2.320 1.00 72.45 C ATOM 2568 CG1 VAL A 540 14.632 -2.708 3.578 1.00 53.00 C ATOM 2569 CG2 VAL A 540 12.788 -1.455 2.327 1.00 11.02 C ATOM 0 H VAL A 540 14.828 -0.677 0.752 1.00 55.03 H new ATOM 0 HA VAL A 540 15.290 -3.587 1.067 1.00 1.45 H new ATOM 0 HB VAL A 540 13.091 -3.575 2.348 1.00 72.45 H new ATOM 0 HG11 VAL A 540 14.014 -2.654 4.474 1.00 53.00 H new ATOM 0 HG12 VAL A 540 15.213 -3.630 3.592 1.00 53.00 H new ATOM 0 HG13 VAL A 540 15.308 -1.854 3.552 1.00 53.00 H new ATOM 0 HG21 VAL A 540 12.215 -1.438 3.254 1.00 11.02 H new ATOM 0 HG22 VAL A 540 13.384 -0.546 2.252 1.00 11.02 H new ATOM 0 HG23 VAL A 540 12.105 -1.512 1.480 1.00 11.02 H new