USER MOD reduce.3.24.130724 H: found=0, std=0, add=1031, rem=0, adj=31 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 451 GLN :FLIP amide:sc= -0.327 F(o=-3.1,f=-2.4) USER MOD Set 1.2: A 497 CYS SG : rot -120:sc= -2.34! USER MOD Set 1.3: A 499 HIS : no HE2:sc= 0.277 K(o=-2.4,f=-10!) USER MOD Set 2.1: A 440 LYS NZ :NH3+ -132:sc= 0.765 (180deg=0) USER MOD Set 2.2: A 443 GLN : amide:sc= 0.659 K(o=1.4,f=-4.9) USER MOD Set 3.1: A 430 GLN : amide:sc= 0.368 K(o=0.79,f=-0.36) USER MOD Set 3.2: A 432 TYR OH : rot -12:sc= 0.513 USER MOD Set 3.3: A 474 HIS : no HD1:sc= -0.0954 X(o=0.79,f=0.99) USER MOD Set 4.1: A 409 GLN : amide:sc= 0.442 X(o=0.91,f=0.68) USER MOD Set 4.2: A 424 THR OG1 : rot 180:sc= 0.465 USER MOD Single : A 398 LYS NZ :NH3+ -171:sc= -0.658 (180deg=-0.801) USER MOD Single : A 403 SER OG : rot 180:sc= 0 USER MOD Single : A 426 SER OG : rot 180:sc= 0 USER MOD Single : A 429 CYS SG : rot 60:sc= -1.62! USER MOD Single : A 434 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 438 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 441 THR OG1 : rot 161:sc= 0.885 USER MOD Single : A 446 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 447 LYS NZ :NH3+ -119:sc= 0 (180deg=-0.909!) USER MOD Single : A 450 MET CE :methyl 149:sc= -0.0912 (180deg=-0.825) USER MOD Single : A 455 GLN : amide:sc= -0.425 X(o=-0.43,f=-0.21) USER MOD Single : A 456 GLN : amide:sc= 0.0396 X(o=0.04,f=0) USER MOD Single : A 459 THR OG1 : rot -72:sc= 0.664 USER MOD Single : A 460 THR OG1 : rot 97:sc= 0.0783 USER MOD Single : A 467 ASN : amide:sc= 0.0939 K(o=0.094,f=-0.82) USER MOD Single : A 468 SER OG : rot -111:sc= 0.411 USER MOD Single : A 470 MET CE :methyl -119:sc= -0.0902 (180deg=-0.101) USER MOD Single : A 472 GLN : amide:sc= -0.0655 K(o=-0.066,f=-2.3!) USER MOD Single : A 476 THR OG1 : rot 180:sc= 0 USER MOD Single : A 477 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 478 LYS NZ :NH3+ -149:sc= -0.958 (180deg=-2.77!) USER MOD Single : A 482 SER OG : rot 180:sc= -0.464 USER MOD Single : A 484 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 487 TYR OH : rot 180:sc= 0 USER MOD Single : A 490 MET CE :methyl -179:sc= -0.0621 (180deg=-0.0628) USER MOD Single : A 492 ASN : amide:sc= 0.656 K(o=0.66,f=0) USER MOD Single : A 512 MET CE :methyl 172:sc= -0.887 (180deg=-1.31) USER MOD Single : A 515 TYR OH : rot 81:sc= 0.00809 USER MOD Single : A 516 SER OG : rot 170:sc= 0.299 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 520 LYS NZ :NH3+ -170:sc= -0.505 (180deg=-0.628) USER MOD Single : A 523 MET CE :methyl 144:sc= -0.0647 (180deg=-2.09!) USER MOD Single : A 528 TYR OH : rot 180:sc= -0.597 USER MOD Single : A 530 GLN :FLIP amide:sc= -0.466 F(o=-1.8,f=-0.47) USER MOD Single : A 531 SER OG : rot 180:sc= 0 USER MOD Single : A 535 ASN : amide:sc=-0.00271 K(o=-0.0027,f=-0.8) USER MOD Single : A 539 GLN : amide:sc= -0.125 K(o=-0.13,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 250 N LYS A 398 -17.729 8.649 5.215 1.00 41.32 N ATOM 251 CA LYS A 398 -16.612 9.497 4.717 1.00 74.24 C ATOM 252 C LYS A 398 -16.890 10.173 3.337 1.00 54.23 C ATOM 253 O LYS A 398 -18.037 10.246 2.873 1.00 10.41 O ATOM 254 CB LYS A 398 -15.295 8.678 4.710 1.00 45.45 C ATOM 255 CG LYS A 398 -14.775 8.336 6.120 1.00 13.54 C ATOM 256 CD LYS A 398 -13.506 7.470 6.074 1.00 32.23 C ATOM 257 CE LYS A 398 -12.854 7.290 7.457 1.00 43.33 C ATOM 258 NZ LYS A 398 -11.699 6.355 7.413 1.00 35.22 N ATOM 0 HA LYS A 398 -16.512 10.331 5.411 1.00 74.24 H new ATOM 0 HB2 LYS A 398 -15.455 7.753 4.156 1.00 45.45 H new ATOM 0 HB3 LYS A 398 -14.529 9.241 4.176 1.00 45.45 H new ATOM 0 HG2 LYS A 398 -14.565 9.258 6.662 1.00 13.54 H new ATOM 0 HG3 LYS A 398 -15.552 7.810 6.675 1.00 13.54 H new ATOM 0 HD2 LYS A 398 -13.755 6.491 5.665 1.00 32.23 H new ATOM 0 HD3 LYS A 398 -12.786 7.926 5.395 1.00 32.23 H new ATOM 0 HE2 LYS A 398 -12.522 8.259 7.830 1.00 43.33 H new ATOM 0 HE3 LYS A 398 -13.597 6.915 8.161 1.00 43.33 H new ATOM 0 HZ1 LYS A 398 -11.386 6.144 8.382 1.00 35.22 H new ATOM 0 HZ2 LYS A 398 -11.984 5.473 6.941 1.00 35.22 H new ATOM 0 HZ3 LYS A 398 -10.918 6.793 6.885 1.00 35.22 H new ATOM 272 N LEU A 399 -15.835 10.733 2.721 1.00 62.10 N ATOM 273 CA LEU A 399 -15.913 11.349 1.379 1.00 50.30 C ATOM 274 C LEU A 399 -14.964 10.616 0.415 1.00 32.41 C ATOM 275 O LEU A 399 -13.778 10.427 0.731 1.00 63.40 O ATOM 276 CB LEU A 399 -15.560 12.850 1.465 1.00 20.32 C ATOM 277 CG LEU A 399 -15.758 13.683 0.165 1.00 1.45 C ATOM 278 CD1 LEU A 399 -17.216 13.606 -0.340 1.00 4.53 C ATOM 279 CD2 LEU A 399 -15.325 15.144 0.392 1.00 62.42 C ATOM 0 H LEU A 399 -14.904 10.773 3.136 1.00 62.10 H new ATOM 0 HA LEU A 399 -16.930 11.260 0.998 1.00 50.30 H new ATOM 0 HB2 LEU A 399 -16.164 13.298 2.254 1.00 20.32 H new ATOM 0 HB3 LEU A 399 -14.518 12.939 1.772 1.00 20.32 H new ATOM 0 HG LEU A 399 -15.124 13.253 -0.611 1.00 1.45 H new ATOM 0 HD11 LEU A 399 -17.318 14.199 -1.249 1.00 4.53 H new ATOM 0 HD12 LEU A 399 -17.473 12.568 -0.553 1.00 4.53 H new ATOM 0 HD13 LEU A 399 -17.887 13.996 0.425 1.00 4.53 H new ATOM 0 HD21 LEU A 399 -15.470 15.713 -0.526 1.00 62.42 H new ATOM 0 HD22 LEU A 399 -15.926 15.582 1.189 1.00 62.42 H new ATOM 0 HD23 LEU A 399 -14.273 15.172 0.674 1.00 62.42 H new ATOM 291 N LEU A 400 -15.496 10.188 -0.745 1.00 53.03 N ATOM 292 CA LEU A 400 -14.712 9.503 -1.781 1.00 11.34 C ATOM 293 C LEU A 400 -13.743 10.497 -2.469 1.00 73.43 C ATOM 294 O LEU A 400 -14.156 11.335 -3.281 1.00 1.21 O ATOM 295 CB LEU A 400 -15.659 8.829 -2.813 1.00 15.02 C ATOM 296 CG LEU A 400 -14.965 8.012 -3.946 1.00 1.52 C ATOM 297 CD1 LEU A 400 -14.002 6.960 -3.363 1.00 11.31 C ATOM 298 CD2 LEU A 400 -16.010 7.353 -4.879 1.00 62.50 C ATOM 0 H LEU A 400 -16.480 10.309 -0.987 1.00 53.03 H new ATOM 0 HA LEU A 400 -14.112 8.722 -1.314 1.00 11.34 H new ATOM 0 HB2 LEU A 400 -16.336 8.165 -2.276 1.00 15.02 H new ATOM 0 HB3 LEU A 400 -16.272 9.604 -3.274 1.00 15.02 H new ATOM 0 HG LEU A 400 -14.376 8.708 -4.544 1.00 1.52 H new ATOM 0 HD11 LEU A 400 -13.533 6.406 -4.176 1.00 11.31 H new ATOM 0 HD12 LEU A 400 -13.233 7.458 -2.772 1.00 11.31 H new ATOM 0 HD13 LEU A 400 -14.558 6.271 -2.727 1.00 11.31 H new ATOM 0 HD21 LEU A 400 -15.498 6.790 -5.659 1.00 62.50 H new ATOM 0 HD22 LEU A 400 -16.641 6.679 -4.300 1.00 62.50 H new ATOM 0 HD23 LEU A 400 -16.628 8.126 -5.336 1.00 62.50 H new ATOM 310 N ALA A 401 -12.463 10.425 -2.080 1.00 32.10 N ATOM 311 CA ALA A 401 -11.384 11.240 -2.663 1.00 63.34 C ATOM 312 C ALA A 401 -11.043 10.777 -4.095 1.00 41.13 C ATOM 313 O ALA A 401 -11.084 11.563 -5.048 1.00 73.11 O ATOM 314 CB ALA A 401 -10.139 11.153 -1.764 1.00 34.15 C ATOM 0 H ALA A 401 -12.143 9.794 -1.345 1.00 32.10 H new ATOM 0 HA ALA A 401 -11.722 12.274 -2.723 1.00 63.34 H new ATOM 0 HB1 ALA A 401 -9.338 11.755 -2.193 1.00 34.15 H new ATOM 0 HB2 ALA A 401 -10.382 11.527 -0.769 1.00 34.15 H new ATOM 0 HB3 ALA A 401 -9.814 10.115 -1.692 1.00 34.15 H new ATOM 320 N TRP A 402 -10.744 9.480 -4.240 1.00 64.04 N ATOM 321 CA TRP A 402 -10.207 8.909 -5.496 1.00 73.35 C ATOM 322 C TRP A 402 -10.822 7.526 -5.785 1.00 61.41 C ATOM 323 O TRP A 402 -11.182 6.792 -4.866 1.00 21.14 O ATOM 324 CB TRP A 402 -8.661 8.810 -5.384 1.00 31.01 C ATOM 325 CG TRP A 402 -7.942 8.397 -6.656 1.00 61.32 C ATOM 326 CD1 TRP A 402 -7.605 9.200 -7.714 1.00 4.25 C ATOM 327 CD2 TRP A 402 -7.460 7.083 -6.987 1.00 32.22 C ATOM 328 NE1 TRP A 402 -6.948 8.469 -8.666 1.00 14.24 N ATOM 329 CE2 TRP A 402 -6.845 7.170 -8.246 1.00 23.32 C ATOM 330 CE3 TRP A 402 -7.487 5.847 -6.334 1.00 23.11 C ATOM 331 CZ2 TRP A 402 -6.271 6.069 -8.875 1.00 72.41 C ATOM 332 CZ3 TRP A 402 -6.917 4.754 -6.954 1.00 15.22 C ATOM 333 CH2 TRP A 402 -6.309 4.872 -8.212 1.00 62.02 C ATOM 0 H TRP A 402 -10.865 8.793 -3.496 1.00 64.04 H new ATOM 0 HA TRP A 402 -10.472 9.562 -6.328 1.00 73.35 H new ATOM 0 HB2 TRP A 402 -8.274 9.778 -5.066 1.00 31.01 H new ATOM 0 HB3 TRP A 402 -8.415 8.095 -4.599 1.00 31.01 H new ATOM 0 HD1 TRP A 402 -7.826 10.255 -7.786 1.00 4.25 H new ATOM 0 HE1 TRP A 402 -6.591 8.834 -9.549 1.00 14.24 H new ATOM 0 HE3 TRP A 402 -7.946 5.749 -5.361 1.00 23.11 H new ATOM 0 HZ2 TRP A 402 -5.813 6.156 -9.849 1.00 72.41 H new ATOM 0 HZ3 TRP A 402 -6.940 3.793 -6.463 1.00 15.22 H new ATOM 0 HH2 TRP A 402 -5.862 4.001 -8.667 1.00 62.02 H new ATOM 344 N SER A 403 -10.914 7.181 -7.071 1.00 52.32 N ATOM 345 CA SER A 403 -11.415 5.874 -7.539 1.00 12.50 C ATOM 346 C SER A 403 -10.676 5.480 -8.834 1.00 41.43 C ATOM 347 O SER A 403 -10.557 6.290 -9.760 1.00 20.42 O ATOM 348 CB SER A 403 -12.946 5.915 -7.765 1.00 60.20 C ATOM 349 OG SER A 403 -13.314 6.910 -8.713 1.00 11.44 O ATOM 0 H SER A 403 -10.641 7.804 -7.831 1.00 52.32 H new ATOM 0 HA SER A 403 -11.220 5.123 -6.774 1.00 12.50 H new ATOM 0 HB2 SER A 403 -13.289 4.940 -8.110 1.00 60.20 H new ATOM 0 HB3 SER A 403 -13.448 6.112 -6.818 1.00 60.20 H new ATOM 0 HG SER A 403 -14.287 6.905 -8.831 1.00 11.44 H new ATOM 355 N GLY A 404 -10.167 4.244 -8.877 1.00 72.34 N ATOM 356 CA GLY A 404 -9.373 3.763 -10.011 1.00 1.55 C ATOM 357 C GLY A 404 -8.959 2.299 -9.861 1.00 22.14 C ATOM 358 O GLY A 404 -9.702 1.498 -9.281 1.00 35.13 O ATOM 0 H GLY A 404 -10.292 3.556 -8.135 1.00 72.34 H new ATOM 0 HA2 GLY A 404 -9.949 3.882 -10.929 1.00 1.55 H new ATOM 0 HA3 GLY A 404 -8.480 4.380 -10.113 1.00 1.55 H new ATOM 362 N VAL A 405 -7.783 1.948 -10.403 1.00 72.33 N ATOM 363 CA VAL A 405 -7.254 0.568 -10.386 1.00 63.23 C ATOM 364 C VAL A 405 -5.983 0.475 -9.495 1.00 33.21 C ATOM 365 O VAL A 405 -5.111 1.333 -9.575 1.00 72.02 O ATOM 366 CB VAL A 405 -6.895 0.083 -11.844 1.00 72.33 C ATOM 367 CG1 VAL A 405 -6.516 -1.420 -11.862 1.00 13.11 C ATOM 368 CG2 VAL A 405 -8.037 0.390 -12.848 1.00 1.31 C ATOM 0 H VAL A 405 -7.166 2.614 -10.869 1.00 72.33 H new ATOM 0 HA VAL A 405 -8.033 -0.074 -9.975 1.00 63.23 H new ATOM 0 HB VAL A 405 -6.020 0.648 -12.167 1.00 72.33 H new ATOM 0 HG11 VAL A 405 -6.274 -1.722 -12.881 1.00 13.11 H new ATOM 0 HG12 VAL A 405 -5.651 -1.585 -11.220 1.00 13.11 H new ATOM 0 HG13 VAL A 405 -7.356 -2.011 -11.498 1.00 13.11 H new ATOM 0 HG21 VAL A 405 -7.752 0.041 -13.841 1.00 1.31 H new ATOM 0 HG22 VAL A 405 -8.947 -0.120 -12.531 1.00 1.31 H new ATOM 0 HG23 VAL A 405 -8.215 1.465 -12.878 1.00 1.31 H new ATOM 378 N LEU A 406 -5.898 -0.553 -8.632 1.00 73.34 N ATOM 379 CA LEU A 406 -4.646 -0.914 -7.931 1.00 60.41 C ATOM 380 C LEU A 406 -4.027 -2.149 -8.620 1.00 25.24 C ATOM 381 O LEU A 406 -4.606 -3.234 -8.574 1.00 43.53 O ATOM 382 CB LEU A 406 -4.905 -1.236 -6.433 1.00 54.41 C ATOM 383 CG LEU A 406 -3.618 -1.528 -5.592 1.00 52.40 C ATOM 384 CD1 LEU A 406 -2.789 -0.243 -5.360 1.00 75.11 C ATOM 385 CD2 LEU A 406 -3.955 -2.237 -4.268 1.00 11.33 C ATOM 0 H LEU A 406 -6.688 -1.155 -8.400 1.00 73.34 H new ATOM 0 HA LEU A 406 -3.965 -0.064 -7.980 1.00 60.41 H new ATOM 0 HB2 LEU A 406 -5.434 -0.397 -5.982 1.00 54.41 H new ATOM 0 HB3 LEU A 406 -5.566 -2.100 -6.371 1.00 54.41 H new ATOM 0 HG LEU A 406 -2.998 -2.211 -6.172 1.00 52.40 H new ATOM 0 HD11 LEU A 406 -1.903 -0.483 -4.773 1.00 75.11 H new ATOM 0 HD12 LEU A 406 -2.486 0.173 -6.321 1.00 75.11 H new ATOM 0 HD13 LEU A 406 -3.393 0.488 -4.823 1.00 75.11 H new ATOM 0 HD21 LEU A 406 -3.037 -2.423 -3.711 1.00 11.33 H new ATOM 0 HD22 LEU A 406 -4.617 -1.606 -3.675 1.00 11.33 H new ATOM 0 HD23 LEU A 406 -4.450 -3.185 -4.479 1.00 11.33 H new ATOM 397 N GLU A 407 -2.862 -1.975 -9.253 1.00 12.33 N ATOM 398 CA GLU A 407 -2.151 -3.051 -9.978 1.00 1.31 C ATOM 399 C GLU A 407 -0.824 -3.395 -9.274 1.00 42.34 C ATOM 400 O GLU A 407 -0.091 -2.493 -8.866 1.00 45.44 O ATOM 401 CB GLU A 407 -1.876 -2.587 -11.431 1.00 64.14 C ATOM 402 CG GLU A 407 -1.089 -3.584 -12.309 1.00 50.23 C ATOM 403 CD GLU A 407 -0.702 -2.996 -13.676 1.00 43.35 C ATOM 404 OE1 GLU A 407 0.356 -2.327 -13.769 1.00 32.20 O ATOM 405 OE2 GLU A 407 -1.454 -3.177 -14.660 1.00 0.13 O ATOM 0 H GLU A 407 -2.376 -1.079 -9.281 1.00 12.33 H new ATOM 0 HA GLU A 407 -2.773 -3.946 -9.988 1.00 1.31 H new ATOM 0 HB2 GLU A 407 -2.831 -2.379 -11.914 1.00 64.14 H new ATOM 0 HB3 GLU A 407 -1.325 -1.647 -11.396 1.00 64.14 H new ATOM 0 HG2 GLU A 407 -0.186 -3.891 -11.782 1.00 50.23 H new ATOM 0 HG3 GLU A 407 -1.690 -4.481 -12.461 1.00 50.23 H new ATOM 412 N TRP A 408 -0.520 -4.698 -9.146 1.00 44.24 N ATOM 413 CA TRP A 408 0.765 -5.174 -8.608 1.00 63.21 C ATOM 414 C TRP A 408 1.203 -6.475 -9.311 1.00 41.40 C ATOM 415 O TRP A 408 0.483 -7.028 -10.158 1.00 2.32 O ATOM 416 CB TRP A 408 0.669 -5.371 -7.070 1.00 51.31 C ATOM 417 CG TRP A 408 -0.229 -6.504 -6.611 1.00 73.43 C ATOM 418 CD1 TRP A 408 0.157 -7.779 -6.330 1.00 1.00 C ATOM 419 CD2 TRP A 408 -1.642 -6.456 -6.377 1.00 33.23 C ATOM 420 NE1 TRP A 408 -0.910 -8.518 -5.905 1.00 3.14 N ATOM 421 CE2 TRP A 408 -2.028 -7.731 -5.926 1.00 44.51 C ATOM 422 CE3 TRP A 408 -2.618 -5.456 -6.496 1.00 65.43 C ATOM 423 CZ2 TRP A 408 -3.342 -8.037 -5.597 1.00 65.14 C ATOM 424 CZ3 TRP A 408 -3.921 -5.764 -6.170 1.00 73.44 C ATOM 425 CH2 TRP A 408 -4.269 -7.046 -5.722 1.00 61.44 C ATOM 0 H TRP A 408 -1.157 -5.449 -9.412 1.00 44.24 H new ATOM 0 HA TRP A 408 1.525 -4.418 -8.805 1.00 63.21 H new ATOM 0 HB2 TRP A 408 1.672 -5.545 -6.680 1.00 51.31 H new ATOM 0 HB3 TRP A 408 0.310 -4.443 -6.624 1.00 51.31 H new ATOM 0 HD1 TRP A 408 1.165 -8.153 -6.429 1.00 1.00 H new ATOM 0 HE1 TRP A 408 -0.878 -9.497 -5.619 1.00 3.14 H new ATOM 0 HE3 TRP A 408 -2.354 -4.465 -6.836 1.00 65.43 H new ATOM 0 HZ2 TRP A 408 -3.619 -9.023 -5.255 1.00 65.14 H new ATOM 0 HZ3 TRP A 408 -4.685 -5.007 -6.261 1.00 73.44 H new ATOM 0 HH2 TRP A 408 -5.298 -7.254 -5.469 1.00 61.44 H new ATOM 436 N GLN A 409 2.397 -6.950 -8.947 1.00 70.52 N ATOM 437 CA GLN A 409 2.934 -8.239 -9.413 1.00 62.13 C ATOM 438 C GLN A 409 2.859 -9.277 -8.280 1.00 22.41 C ATOM 439 O GLN A 409 3.413 -9.062 -7.195 1.00 74.43 O ATOM 440 CB GLN A 409 4.402 -8.062 -9.896 1.00 13.44 C ATOM 441 CG GLN A 409 4.565 -7.179 -11.151 1.00 32.42 C ATOM 442 CD GLN A 409 3.933 -7.788 -12.408 1.00 12.11 C ATOM 443 OE1 GLN A 409 4.573 -8.523 -13.146 1.00 73.23 O ATOM 444 NE2 GLN A 409 2.671 -7.497 -12.655 1.00 71.01 N ATOM 0 H GLN A 409 3.025 -6.451 -8.317 1.00 70.52 H new ATOM 0 HA GLN A 409 2.335 -8.594 -10.252 1.00 62.13 H new ATOM 0 HB2 GLN A 409 4.987 -7.629 -9.085 1.00 13.44 H new ATOM 0 HB3 GLN A 409 4.823 -9.046 -10.103 1.00 13.44 H new ATOM 0 HG2 GLN A 409 4.114 -6.205 -10.962 1.00 32.42 H new ATOM 0 HG3 GLN A 409 5.626 -7.010 -11.332 1.00 32.42 H new ATOM 0 HE21 GLN A 409 2.157 -6.881 -12.025 1.00 71.01 H new ATOM 0 HE22 GLN A 409 2.209 -7.888 -13.476 1.00 71.01 H new ATOM 453 N GLU A 410 2.151 -10.391 -8.540 1.00 45.31 N ATOM 454 CA GLU A 410 2.114 -11.557 -7.628 1.00 12.10 C ATOM 455 C GLU A 410 3.470 -12.315 -7.690 1.00 12.44 C ATOM 456 O GLU A 410 4.334 -11.995 -8.516 1.00 72.41 O ATOM 457 CB GLU A 410 0.891 -12.492 -7.975 1.00 32.42 C ATOM 458 CG GLU A 410 -0.102 -12.745 -6.806 1.00 4.30 C ATOM 459 CD GLU A 410 0.469 -13.637 -5.681 1.00 32.42 C ATOM 460 OE1 GLU A 410 1.262 -13.142 -4.844 1.00 31.14 O ATOM 461 OE2 GLU A 410 0.135 -14.842 -5.637 1.00 34.35 O ATOM 0 H GLU A 410 1.590 -10.512 -9.383 1.00 45.31 H new ATOM 0 HA GLU A 410 1.971 -11.215 -6.603 1.00 12.10 H new ATOM 0 HB2 GLU A 410 0.342 -12.052 -8.808 1.00 32.42 H new ATOM 0 HB3 GLU A 410 1.275 -13.453 -8.319 1.00 32.42 H new ATOM 0 HG2 GLU A 410 -0.399 -11.786 -6.381 1.00 4.30 H new ATOM 0 HG3 GLU A 410 -1.004 -13.211 -7.203 1.00 4.30 H new ATOM 649 N LEU A 423 2.194 -13.274 -13.545 1.00 62.21 N ATOM 650 CA LEU A 423 1.144 -13.014 -12.541 1.00 70.23 C ATOM 651 C LEU A 423 0.986 -11.495 -12.262 1.00 11.14 C ATOM 652 O LEU A 423 1.666 -10.923 -11.407 1.00 64.14 O ATOM 653 CB LEU A 423 1.443 -13.814 -11.247 1.00 45.52 C ATOM 654 CG LEU A 423 1.653 -15.359 -11.424 1.00 42.11 C ATOM 655 CD1 LEU A 423 1.719 -16.069 -10.058 1.00 42.02 C ATOM 656 CD2 LEU A 423 0.569 -15.990 -12.331 1.00 54.11 C ATOM 0 HA LEU A 423 0.188 -13.355 -12.939 1.00 70.23 H new ATOM 0 HB2 LEU A 423 2.338 -13.397 -10.785 1.00 45.52 H new ATOM 0 HB3 LEU A 423 0.621 -13.657 -10.549 1.00 45.52 H new ATOM 0 HG LEU A 423 2.611 -15.500 -11.924 1.00 42.11 H new ATOM 0 HD11 LEU A 423 1.865 -17.138 -10.210 1.00 42.02 H new ATOM 0 HD12 LEU A 423 2.551 -15.668 -9.479 1.00 42.02 H new ATOM 0 HD13 LEU A 423 0.788 -15.904 -9.517 1.00 42.02 H new ATOM 0 HD21 LEU A 423 0.752 -17.060 -12.427 1.00 54.11 H new ATOM 0 HD22 LEU A 423 -0.414 -15.828 -11.889 1.00 54.11 H new ATOM 0 HD23 LEU A 423 0.604 -15.526 -13.317 1.00 54.11 H new ATOM 668 N THR A 424 0.107 -10.853 -13.055 1.00 74.35 N ATOM 669 CA THR A 424 -0.262 -9.422 -12.913 1.00 4.13 C ATOM 670 C THR A 424 -1.688 -9.316 -12.343 1.00 12.14 C ATOM 671 O THR A 424 -2.656 -9.690 -13.010 1.00 32.23 O ATOM 672 CB THR A 424 -0.195 -8.673 -14.294 1.00 41.24 C ATOM 673 OG1 THR A 424 1.115 -8.833 -14.865 1.00 4.00 O ATOM 674 CG2 THR A 424 -0.507 -7.160 -14.161 1.00 63.12 C ATOM 0 H THR A 424 -0.376 -11.316 -13.825 1.00 74.35 H new ATOM 0 HA THR A 424 0.451 -8.952 -12.236 1.00 4.13 H new ATOM 0 HB THR A 424 -0.954 -9.115 -14.939 1.00 41.24 H new ATOM 0 HG1 THR A 424 1.156 -8.367 -15.726 1.00 4.00 H new ATOM 0 HG21 THR A 424 -0.448 -6.689 -15.142 1.00 63.12 H new ATOM 0 HG22 THR A 424 -1.510 -7.030 -13.756 1.00 63.12 H new ATOM 0 HG23 THR A 424 0.218 -6.697 -13.491 1.00 63.12 H new ATOM 682 N ARG A 425 -1.806 -8.839 -11.098 1.00 15.34 N ATOM 683 CA ARG A 425 -3.107 -8.689 -10.409 1.00 43.20 C ATOM 684 C ARG A 425 -3.581 -7.221 -10.437 1.00 44.22 C ATOM 685 O ARG A 425 -2.757 -6.300 -10.472 1.00 41.45 O ATOM 686 CB ARG A 425 -2.982 -9.184 -8.948 1.00 4.13 C ATOM 687 CG ARG A 425 -2.506 -10.646 -8.751 1.00 50.51 C ATOM 688 CD ARG A 425 -3.473 -11.707 -9.327 1.00 34.01 C ATOM 689 NE ARG A 425 -3.386 -11.835 -10.795 1.00 52.20 N ATOM 690 CZ ARG A 425 -4.343 -12.273 -11.587 1.00 73.41 C ATOM 691 NH1 ARG A 425 -5.513 -12.576 -11.127 1.00 13.41 N ATOM 692 NH2 ARG A 425 -4.119 -12.376 -12.851 1.00 74.33 N ATOM 0 H ARG A 425 -1.008 -8.545 -10.535 1.00 15.34 H new ATOM 0 HA ARG A 425 -3.849 -9.292 -10.932 1.00 43.20 H new ATOM 0 HB2 ARG A 425 -2.289 -8.526 -8.423 1.00 4.13 H new ATOM 0 HB3 ARG A 425 -3.953 -9.074 -8.466 1.00 4.13 H new ATOM 0 HG2 ARG A 425 -1.530 -10.766 -9.221 1.00 50.51 H new ATOM 0 HG3 ARG A 425 -2.371 -10.833 -7.686 1.00 50.51 H new ATOM 0 HD2 ARG A 425 -3.256 -12.673 -8.871 1.00 34.01 H new ATOM 0 HD3 ARG A 425 -4.495 -11.446 -9.051 1.00 34.01 H new ATOM 0 HE ARG A 425 -2.508 -11.560 -11.235 1.00 52.20 H new ATOM 0 HH11 ARG A 425 -5.711 -12.478 -10.131 1.00 13.41 H new ATOM 0 HH12 ARG A 425 -6.238 -12.913 -11.760 1.00 13.41 H new ATOM 0 HH21 ARG A 425 -3.207 -12.120 -13.230 1.00 74.33 H new ATOM 0 HH22 ARG A 425 -4.853 -12.714 -13.473 1.00 74.33 H new ATOM 706 N SER A 426 -4.911 -7.014 -10.388 1.00 43.52 N ATOM 707 CA SER A 426 -5.519 -5.661 -10.460 1.00 73.44 C ATOM 708 C SER A 426 -6.917 -5.631 -9.796 1.00 63.24 C ATOM 709 O SER A 426 -7.699 -6.582 -9.922 1.00 40.32 O ATOM 710 CB SER A 426 -5.605 -5.164 -11.927 1.00 74.44 C ATOM 711 OG SER A 426 -6.463 -5.971 -12.724 1.00 41.32 O ATOM 0 H SER A 426 -5.592 -7.768 -10.298 1.00 43.52 H new ATOM 0 HA SER A 426 -4.869 -4.984 -9.906 1.00 73.44 H new ATOM 0 HB2 SER A 426 -5.965 -4.135 -11.939 1.00 74.44 H new ATOM 0 HB3 SER A 426 -4.607 -5.158 -12.365 1.00 74.44 H new ATOM 0 HG SER A 426 -6.487 -5.619 -13.638 1.00 41.32 H new ATOM 717 N LEU A 427 -7.228 -4.514 -9.099 1.00 2.05 N ATOM 718 CA LEU A 427 -8.471 -4.356 -8.295 1.00 34.53 C ATOM 719 C LEU A 427 -9.151 -2.983 -8.530 1.00 22.51 C ATOM 720 O LEU A 427 -8.461 -1.998 -8.782 1.00 42.44 O ATOM 721 CB LEU A 427 -8.144 -4.496 -6.780 1.00 74.12 C ATOM 722 CG LEU A 427 -7.734 -5.909 -6.287 1.00 73.33 C ATOM 723 CD1 LEU A 427 -7.410 -5.895 -4.781 1.00 52.31 C ATOM 724 CD2 LEU A 427 -8.824 -6.948 -6.624 1.00 20.34 C ATOM 0 H LEU A 427 -6.625 -3.692 -9.076 1.00 2.05 H new ATOM 0 HA LEU A 427 -9.159 -5.139 -8.615 1.00 34.53 H new ATOM 0 HB2 LEU A 427 -7.337 -3.804 -6.540 1.00 74.12 H new ATOM 0 HB3 LEU A 427 -9.018 -4.177 -6.212 1.00 74.12 H new ATOM 0 HG LEU A 427 -6.826 -6.203 -6.814 1.00 73.33 H new ATOM 0 HD11 LEU A 427 -7.126 -6.897 -4.461 1.00 52.31 H new ATOM 0 HD12 LEU A 427 -6.586 -5.206 -4.592 1.00 52.31 H new ATOM 0 HD13 LEU A 427 -8.289 -5.571 -4.223 1.00 52.31 H new ATOM 0 HD21 LEU A 427 -8.513 -7.930 -6.268 1.00 20.34 H new ATOM 0 HD22 LEU A 427 -9.758 -6.666 -6.139 1.00 20.34 H new ATOM 0 HD23 LEU A 427 -8.972 -6.983 -7.703 1.00 20.34 H new ATOM 736 N PRO A 428 -10.521 -2.897 -8.459 1.00 3.43 N ATOM 737 CA PRO A 428 -11.236 -1.595 -8.384 1.00 63.42 C ATOM 738 C PRO A 428 -11.112 -0.967 -6.961 1.00 43.11 C ATOM 739 O PRO A 428 -11.816 -1.356 -6.025 1.00 23.41 O ATOM 740 CB PRO A 428 -12.700 -1.979 -8.742 1.00 45.11 C ATOM 741 CG PRO A 428 -12.835 -3.401 -8.269 1.00 61.02 C ATOM 742 CD PRO A 428 -11.475 -4.044 -8.489 1.00 64.54 C ATOM 0 HA PRO A 428 -10.833 -0.834 -9.052 1.00 63.42 H new ATOM 0 HB2 PRO A 428 -13.416 -1.324 -8.245 1.00 45.11 H new ATOM 0 HB3 PRO A 428 -12.883 -1.897 -9.813 1.00 45.11 H new ATOM 0 HG2 PRO A 428 -13.119 -3.438 -7.217 1.00 61.02 H new ATOM 0 HG3 PRO A 428 -13.610 -3.926 -8.827 1.00 61.02 H new ATOM 0 HD2 PRO A 428 -11.248 -4.772 -7.710 1.00 64.54 H new ATOM 0 HD3 PRO A 428 -11.433 -4.572 -9.441 1.00 64.54 H new ATOM 750 N CYS A 429 -10.184 -0.006 -6.808 1.00 54.30 N ATOM 751 CA CYS A 429 -9.840 0.589 -5.486 1.00 30.42 C ATOM 752 C CYS A 429 -10.426 2.012 -5.318 1.00 31.24 C ATOM 753 O CYS A 429 -10.453 2.804 -6.259 1.00 42.32 O ATOM 754 CB CYS A 429 -8.302 0.631 -5.320 1.00 25.20 C ATOM 755 SG CYS A 429 -7.435 1.519 -6.633 1.00 45.41 S ATOM 0 H CYS A 429 -9.650 0.384 -7.585 1.00 54.30 H new ATOM 0 HA CYS A 429 -10.282 -0.040 -4.714 1.00 30.42 H new ATOM 0 HB2 CYS A 429 -8.064 1.098 -4.364 1.00 25.20 H new ATOM 0 HB3 CYS A 429 -7.925 -0.391 -5.279 1.00 25.20 H new ATOM 0 HG CYS A 429 -7.849 2.751 -6.670 1.00 45.41 H new ATOM 761 N GLN A 430 -10.891 2.307 -4.093 1.00 35.45 N ATOM 762 CA GLN A 430 -11.490 3.609 -3.709 1.00 51.11 C ATOM 763 C GLN A 430 -10.813 4.161 -2.428 1.00 45.13 C ATOM 764 O GLN A 430 -10.784 3.493 -1.397 1.00 71.04 O ATOM 765 CB GLN A 430 -13.023 3.446 -3.464 1.00 24.34 C ATOM 766 CG GLN A 430 -13.891 3.287 -4.731 1.00 55.12 C ATOM 767 CD GLN A 430 -15.393 3.145 -4.419 1.00 5.11 C ATOM 768 OE1 GLN A 430 -15.780 2.572 -3.404 1.00 21.52 O ATOM 769 NE2 GLN A 430 -16.247 3.687 -5.268 1.00 14.22 N ATOM 0 H GLN A 430 -10.864 1.639 -3.323 1.00 35.45 H new ATOM 0 HA GLN A 430 -11.330 4.314 -4.525 1.00 51.11 H new ATOM 0 HB2 GLN A 430 -13.180 2.575 -2.827 1.00 24.34 H new ATOM 0 HB3 GLN A 430 -13.378 4.315 -2.910 1.00 24.34 H new ATOM 0 HG2 GLN A 430 -13.740 4.151 -5.378 1.00 55.12 H new ATOM 0 HG3 GLN A 430 -13.557 2.410 -5.286 1.00 55.12 H new ATOM 0 HE21 GLN A 430 -15.904 4.158 -6.105 1.00 14.22 H new ATOM 0 HE22 GLN A 430 -17.249 3.634 -5.087 1.00 14.22 H new ATOM 778 N VAL A 431 -10.271 5.384 -2.519 1.00 42.32 N ATOM 779 CA VAL A 431 -9.695 6.110 -1.368 1.00 44.21 C ATOM 780 C VAL A 431 -10.774 7.013 -0.712 1.00 72.01 C ATOM 781 O VAL A 431 -11.210 8.000 -1.307 1.00 41.12 O ATOM 782 CB VAL A 431 -8.456 6.985 -1.815 1.00 13.34 C ATOM 783 CG1 VAL A 431 -7.822 7.746 -0.619 1.00 55.33 C ATOM 784 CG2 VAL A 431 -7.398 6.116 -2.539 1.00 71.13 C ATOM 0 H VAL A 431 -10.218 5.903 -3.395 1.00 42.32 H new ATOM 0 HA VAL A 431 -9.351 5.376 -0.639 1.00 44.21 H new ATOM 0 HB VAL A 431 -8.825 7.733 -2.517 1.00 13.34 H new ATOM 0 HG11 VAL A 431 -6.974 8.335 -0.970 1.00 55.33 H new ATOM 0 HG12 VAL A 431 -8.565 8.409 -0.175 1.00 55.33 H new ATOM 0 HG13 VAL A 431 -7.481 7.030 0.129 1.00 55.33 H new ATOM 0 HG21 VAL A 431 -6.556 6.741 -2.837 1.00 71.13 H new ATOM 0 HG22 VAL A 431 -7.049 5.332 -1.867 1.00 71.13 H new ATOM 0 HG23 VAL A 431 -7.844 5.662 -3.424 1.00 71.13 H new ATOM 794 N TYR A 432 -11.224 6.636 0.496 1.00 63.12 N ATOM 795 CA TYR A 432 -12.124 7.468 1.335 1.00 34.20 C ATOM 796 C TYR A 432 -11.317 8.219 2.413 1.00 71.22 C ATOM 797 O TYR A 432 -10.663 7.598 3.258 1.00 12.42 O ATOM 798 CB TYR A 432 -13.218 6.589 2.006 1.00 22.52 C ATOM 799 CG TYR A 432 -14.269 6.053 1.025 1.00 64.02 C ATOM 800 CD1 TYR A 432 -14.027 4.911 0.261 1.00 45.50 C ATOM 801 CD2 TYR A 432 -15.500 6.702 0.854 1.00 1.50 C ATOM 802 CE1 TYR A 432 -14.967 4.436 -0.630 1.00 63.41 C ATOM 803 CE2 TYR A 432 -16.437 6.229 -0.042 1.00 2.34 C ATOM 804 CZ TYR A 432 -16.170 5.095 -0.780 1.00 12.41 C ATOM 805 OH TYR A 432 -17.097 4.636 -1.692 1.00 53.15 O ATOM 0 H TYR A 432 -10.977 5.744 0.926 1.00 63.12 H new ATOM 0 HA TYR A 432 -12.611 8.198 0.688 1.00 34.20 H new ATOM 0 HB2 TYR A 432 -12.739 5.747 2.506 1.00 22.52 H new ATOM 0 HB3 TYR A 432 -13.719 7.174 2.777 1.00 22.52 H new ATOM 0 HD1 TYR A 432 -13.087 4.390 0.369 1.00 45.50 H new ATOM 0 HD2 TYR A 432 -15.719 7.587 1.433 1.00 1.50 H new ATOM 0 HE1 TYR A 432 -14.761 3.548 -1.210 1.00 63.41 H new ATOM 0 HE2 TYR A 432 -17.377 6.746 -0.165 1.00 2.34 H new ATOM 0 HH TYR A 432 -16.679 3.969 -2.276 1.00 53.15 H new ATOM 815 N VAL A 433 -11.362 9.561 2.379 1.00 53.12 N ATOM 816 CA VAL A 433 -10.682 10.408 3.381 1.00 22.12 C ATOM 817 C VAL A 433 -11.687 10.946 4.451 1.00 62.30 C ATOM 818 O VAL A 433 -11.853 10.318 5.507 1.00 14.44 O ATOM 819 CB VAL A 433 -9.836 11.563 2.687 1.00 14.12 C ATOM 820 CG1 VAL A 433 -8.543 10.999 2.067 1.00 13.23 C ATOM 821 CG2 VAL A 433 -10.636 12.336 1.600 1.00 72.34 C ATOM 0 H VAL A 433 -11.865 10.088 1.665 1.00 53.12 H new ATOM 0 HA VAL A 433 -9.967 9.786 3.919 1.00 22.12 H new ATOM 0 HB VAL A 433 -9.590 12.271 3.478 1.00 14.12 H new ATOM 0 HG11 VAL A 433 -7.982 11.807 1.598 1.00 13.23 H new ATOM 0 HG12 VAL A 433 -7.936 10.540 2.847 1.00 13.23 H new ATOM 0 HG13 VAL A 433 -8.796 10.250 1.316 1.00 13.23 H new ATOM 0 HG21 VAL A 433 -10.004 13.110 1.165 1.00 72.34 H new ATOM 0 HG22 VAL A 433 -10.952 11.644 0.819 1.00 72.34 H new ATOM 0 HG23 VAL A 433 -11.514 12.797 2.053 1.00 72.34 H new ATOM 831 N ASN A 434 -12.368 12.070 4.153 1.00 42.14 N ATOM 832 CA ASN A 434 -13.316 12.753 5.047 1.00 34.04 C ATOM 833 C ASN A 434 -13.858 14.017 4.327 1.00 24.41 C ATOM 834 O ASN A 434 -13.226 14.525 3.388 1.00 15.51 O ATOM 835 CB ASN A 434 -12.629 13.168 6.381 1.00 54.53 C ATOM 836 CG ASN A 434 -13.586 13.778 7.406 1.00 65.10 C ATOM 837 OD1 ASN A 434 -14.755 13.397 7.497 1.00 0.40 O ATOM 838 ND2 ASN A 434 -13.117 14.745 8.156 1.00 53.52 N ATOM 0 H ASN A 434 -12.268 12.540 3.254 1.00 42.14 H new ATOM 0 HA ASN A 434 -14.132 12.070 5.285 1.00 34.04 H new ATOM 0 HB2 ASN A 434 -12.151 12.292 6.820 1.00 54.53 H new ATOM 0 HB3 ASN A 434 -11.839 13.887 6.163 1.00 54.53 H new ATOM 0 HD21 ASN A 434 -13.724 15.203 8.836 1.00 53.52 H new ATOM 0 HD22 ASN A 434 -12.145 15.040 8.059 1.00 53.52 H new ATOM 884 N ASN A 438 -8.150 18.098 2.563 1.00 73.15 N ATOM 885 CA ASN A 438 -7.399 18.754 1.471 1.00 32.12 C ATOM 886 C ASN A 438 -6.429 17.748 0.797 1.00 53.23 C ATOM 887 O ASN A 438 -5.302 17.539 1.265 1.00 51.40 O ATOM 888 CB ASN A 438 -6.646 19.999 2.029 1.00 23.02 C ATOM 889 CG ASN A 438 -5.955 20.849 0.956 1.00 73.12 C ATOM 890 OD1 ASN A 438 -6.405 20.931 -0.183 1.00 31.22 O ATOM 891 ND2 ASN A 438 -4.864 21.502 1.313 1.00 31.22 N ATOM 0 HA ASN A 438 -8.095 19.094 0.704 1.00 32.12 H new ATOM 0 HB2 ASN A 438 -7.354 20.625 2.572 1.00 23.02 H new ATOM 0 HB3 ASN A 438 -5.899 19.665 2.749 1.00 23.02 H new ATOM 0 HD21 ASN A 438 -4.377 22.090 0.636 1.00 31.22 H new ATOM 0 HD22 ASN A 438 -4.508 21.419 2.265 1.00 31.22 H new ATOM 898 N LEU A 439 -6.890 17.120 -0.302 1.00 25.22 N ATOM 899 CA LEU A 439 -6.122 16.085 -1.035 1.00 63.44 C ATOM 900 C LEU A 439 -6.300 16.270 -2.569 1.00 5.51 C ATOM 901 O LEU A 439 -7.432 16.335 -3.061 1.00 64.30 O ATOM 902 CB LEU A 439 -6.612 14.678 -0.578 1.00 12.30 C ATOM 903 CG LEU A 439 -5.686 13.473 -0.920 1.00 63.31 C ATOM 904 CD1 LEU A 439 -4.315 13.602 -0.218 1.00 23.12 C ATOM 905 CD2 LEU A 439 -6.368 12.132 -0.562 1.00 44.34 C ATOM 0 H LEU A 439 -7.805 17.313 -0.710 1.00 25.22 H new ATOM 0 HA LEU A 439 -5.059 16.181 -0.812 1.00 63.44 H new ATOM 0 HB2 LEU A 439 -6.756 14.701 0.502 1.00 12.30 H new ATOM 0 HB3 LEU A 439 -7.589 14.495 -1.026 1.00 12.30 H new ATOM 0 HG LEU A 439 -5.510 13.485 -1.996 1.00 63.31 H new ATOM 0 HD11 LEU A 439 -3.692 12.746 -0.477 1.00 23.12 H new ATOM 0 HD12 LEU A 439 -3.825 14.519 -0.543 1.00 23.12 H new ATOM 0 HD13 LEU A 439 -4.461 13.632 0.862 1.00 23.12 H new ATOM 0 HD21 LEU A 439 -5.701 11.307 -0.811 1.00 44.34 H new ATOM 0 HD22 LEU A 439 -6.590 12.110 0.505 1.00 44.34 H new ATOM 0 HD23 LEU A 439 -7.294 12.033 -1.128 1.00 44.34 H new ATOM 917 N LYS A 440 -5.180 16.343 -3.325 1.00 21.03 N ATOM 918 CA LYS A 440 -5.198 16.690 -4.775 1.00 13.11 C ATOM 919 C LYS A 440 -5.400 15.452 -5.688 1.00 12.22 C ATOM 920 O LYS A 440 -4.583 15.172 -6.573 1.00 52.13 O ATOM 921 CB LYS A 440 -3.888 17.422 -5.168 1.00 53.11 C ATOM 922 CG LYS A 440 -3.574 18.698 -4.356 1.00 73.10 C ATOM 923 CD LYS A 440 -2.511 19.576 -5.051 1.00 71.24 C ATOM 924 CE LYS A 440 -3.019 20.155 -6.383 1.00 14.24 C ATOM 925 NZ LYS A 440 -2.002 20.999 -7.053 1.00 33.53 N ATOM 0 H LYS A 440 -4.245 16.166 -2.957 1.00 21.03 H new ATOM 0 HA LYS A 440 -6.053 17.348 -4.929 1.00 13.11 H new ATOM 0 HB2 LYS A 440 -3.056 16.727 -5.057 1.00 53.11 H new ATOM 0 HB3 LYS A 440 -3.943 17.688 -6.224 1.00 53.11 H new ATOM 0 HG2 LYS A 440 -4.488 19.275 -4.219 1.00 73.10 H new ATOM 0 HG3 LYS A 440 -3.221 18.419 -3.363 1.00 73.10 H new ATOM 0 HD2 LYS A 440 -2.225 20.392 -4.387 1.00 71.24 H new ATOM 0 HD3 LYS A 440 -1.614 18.983 -5.232 1.00 71.24 H new ATOM 0 HE2 LYS A 440 -3.305 19.339 -7.046 1.00 14.24 H new ATOM 0 HE3 LYS A 440 -3.916 20.747 -6.201 1.00 14.24 H new ATOM 0 HZ1 LYS A 440 -2.437 21.896 -7.351 1.00 33.53 H new ATOM 0 HZ2 LYS A 440 -1.223 21.194 -6.392 1.00 33.53 H new ATOM 0 HZ3 LYS A 440 -1.632 20.500 -7.887 1.00 33.53 H new ATOM 939 N THR A 441 -6.529 14.758 -5.512 1.00 74.11 N ATOM 940 CA THR A 441 -6.843 13.504 -6.251 1.00 24.42 C ATOM 941 C THR A 441 -7.182 13.735 -7.746 1.00 5.42 C ATOM 942 O THR A 441 -7.257 12.775 -8.524 1.00 60.13 O ATOM 943 CB THR A 441 -8.001 12.746 -5.548 1.00 42.50 C ATOM 944 OG1 THR A 441 -9.157 13.597 -5.450 1.00 43.21 O ATOM 945 CG2 THR A 441 -7.585 12.287 -4.140 1.00 54.25 C ATOM 0 H THR A 441 -7.258 15.039 -4.857 1.00 74.11 H new ATOM 0 HA THR A 441 -5.936 12.899 -6.233 1.00 24.42 H new ATOM 0 HB THR A 441 -8.241 11.866 -6.145 1.00 42.50 H new ATOM 0 HG1 THR A 441 -9.954 13.049 -5.290 1.00 43.21 H new ATOM 0 HG21 THR A 441 -8.414 11.759 -3.670 1.00 54.25 H new ATOM 0 HG22 THR A 441 -6.725 11.621 -4.214 1.00 54.25 H new ATOM 0 HG23 THR A 441 -7.320 13.156 -3.538 1.00 54.25 H new ATOM 953 N GLU A 442 -7.393 15.006 -8.129 1.00 73.24 N ATOM 954 CA GLU A 442 -7.482 15.428 -9.546 1.00 43.55 C ATOM 955 C GLU A 442 -6.143 15.158 -10.288 1.00 52.33 C ATOM 956 O GLU A 442 -6.122 14.653 -11.415 1.00 42.40 O ATOM 957 CB GLU A 442 -7.828 16.945 -9.617 1.00 35.44 C ATOM 958 CG GLU A 442 -8.063 17.503 -11.040 1.00 51.51 C ATOM 959 CD GLU A 442 -9.253 16.845 -11.766 1.00 24.04 C ATOM 960 OE1 GLU A 442 -10.417 17.145 -11.411 1.00 71.12 O ATOM 961 OE2 GLU A 442 -9.033 16.010 -12.677 1.00 62.14 O ATOM 0 H GLU A 442 -7.507 15.774 -7.467 1.00 73.24 H new ATOM 0 HA GLU A 442 -8.267 14.849 -10.033 1.00 43.55 H new ATOM 0 HB2 GLU A 442 -8.723 17.125 -9.022 1.00 35.44 H new ATOM 0 HB3 GLU A 442 -7.018 17.508 -9.153 1.00 35.44 H new ATOM 0 HG2 GLU A 442 -8.234 18.578 -10.977 1.00 51.51 H new ATOM 0 HG3 GLU A 442 -7.160 17.358 -11.633 1.00 51.51 H new ATOM 968 N GLN A 443 -5.035 15.478 -9.595 1.00 44.04 N ATOM 969 CA GLN A 443 -3.656 15.430 -10.140 1.00 33.21 C ATOM 970 C GLN A 443 -3.071 13.984 -10.143 1.00 43.13 C ATOM 971 O GLN A 443 -2.032 13.722 -10.763 1.00 20.11 O ATOM 972 CB GLN A 443 -2.783 16.417 -9.307 1.00 63.53 C ATOM 973 CG GLN A 443 -1.395 16.747 -9.904 1.00 71.21 C ATOM 974 CD GLN A 443 -0.807 18.068 -9.382 1.00 72.53 C ATOM 975 OE1 GLN A 443 -1.531 19.016 -9.093 1.00 15.22 O ATOM 976 NE2 GLN A 443 0.494 18.137 -9.234 1.00 33.24 N ATOM 0 H GLN A 443 -5.068 15.783 -8.622 1.00 44.04 H new ATOM 0 HA GLN A 443 -3.662 15.734 -11.187 1.00 33.21 H new ATOM 0 HB2 GLN A 443 -3.336 17.348 -9.183 1.00 63.53 H new ATOM 0 HB3 GLN A 443 -2.640 15.996 -8.312 1.00 63.53 H new ATOM 0 HG2 GLN A 443 -0.706 15.935 -9.674 1.00 71.21 H new ATOM 0 HG3 GLN A 443 -1.477 16.798 -10.990 1.00 71.21 H new ATOM 0 HE21 GLN A 443 1.078 17.338 -9.480 1.00 33.24 H new ATOM 0 HE22 GLN A 443 0.922 18.990 -8.873 1.00 33.24 H new ATOM 985 N TRP A 444 -3.771 13.055 -9.464 1.00 51.54 N ATOM 986 CA TRP A 444 -3.396 11.621 -9.403 1.00 4.22 C ATOM 987 C TRP A 444 -3.743 10.893 -10.737 1.00 62.33 C ATOM 988 O TRP A 444 -4.685 11.297 -11.439 1.00 72.52 O ATOM 989 CB TRP A 444 -4.132 10.918 -8.221 1.00 13.50 C ATOM 990 CG TRP A 444 -3.767 11.409 -6.837 1.00 62.23 C ATOM 991 CD1 TRP A 444 -3.062 12.535 -6.499 1.00 24.53 C ATOM 992 CD2 TRP A 444 -4.104 10.769 -5.599 1.00 70.53 C ATOM 993 NE1 TRP A 444 -2.973 12.641 -5.140 1.00 13.35 N ATOM 994 CE2 TRP A 444 -3.595 11.568 -4.568 1.00 13.34 C ATOM 995 CE3 TRP A 444 -4.801 9.598 -5.264 1.00 73.34 C ATOM 996 CZ2 TRP A 444 -3.751 11.239 -3.230 1.00 53.11 C ATOM 997 CZ3 TRP A 444 -4.948 9.266 -3.930 1.00 33.34 C ATOM 998 CH2 TRP A 444 -4.426 10.089 -2.926 1.00 50.34 C ATOM 0 H TRP A 444 -4.617 13.275 -8.939 1.00 51.54 H new ATOM 0 HA TRP A 444 -2.319 11.565 -9.245 1.00 4.22 H new ATOM 0 HB2 TRP A 444 -5.206 11.043 -8.360 1.00 13.50 H new ATOM 0 HB3 TRP A 444 -3.926 9.849 -8.273 1.00 13.50 H new ATOM 0 HD1 TRP A 444 -2.639 13.236 -7.204 1.00 24.53 H new ATOM 0 HE1 TRP A 444 -2.516 13.399 -4.634 1.00 13.35 H new ATOM 0 HE3 TRP A 444 -5.216 8.966 -6.036 1.00 73.34 H new ATOM 0 HZ2 TRP A 444 -3.351 11.872 -2.451 1.00 53.11 H new ATOM 0 HZ3 TRP A 444 -5.472 8.361 -3.660 1.00 33.34 H new ATOM 0 HH2 TRP A 444 -4.559 9.811 -1.891 1.00 50.34 H new ATOM 1009 N PRO A 445 -2.984 9.807 -11.110 1.00 63.51 N ATOM 1010 CA PRO A 445 -3.306 8.956 -12.300 1.00 14.25 C ATOM 1011 C PRO A 445 -4.613 8.122 -12.121 1.00 51.42 C ATOM 1012 O PRO A 445 -5.293 8.224 -11.095 1.00 71.01 O ATOM 1013 CB PRO A 445 -2.058 8.038 -12.413 1.00 41.24 C ATOM 1014 CG PRO A 445 -1.516 7.970 -11.019 1.00 14.21 C ATOM 1015 CD PRO A 445 -1.750 9.338 -10.422 1.00 12.13 C ATOM 0 HA PRO A 445 -3.499 9.551 -13.193 1.00 14.25 H new ATOM 0 HB2 PRO A 445 -2.325 7.048 -12.784 1.00 41.24 H new ATOM 0 HB3 PRO A 445 -1.323 8.450 -13.105 1.00 41.24 H new ATOM 0 HG2 PRO A 445 -2.022 7.198 -10.439 1.00 14.21 H new ATOM 0 HG3 PRO A 445 -0.455 7.721 -11.023 1.00 14.21 H new ATOM 0 HD2 PRO A 445 -1.887 9.287 -9.342 1.00 12.13 H new ATOM 0 HD3 PRO A 445 -0.909 10.006 -10.606 1.00 12.13 H new ATOM 1023 N GLN A 446 -4.958 7.299 -13.136 1.00 52.33 N ATOM 1024 CA GLN A 446 -6.148 6.407 -13.072 1.00 0.32 C ATOM 1025 C GLN A 446 -5.818 5.083 -12.339 1.00 12.43 C ATOM 1026 O GLN A 446 -6.716 4.393 -11.849 1.00 33.40 O ATOM 1027 CB GLN A 446 -6.694 6.092 -14.499 1.00 33.25 C ATOM 1028 CG GLN A 446 -5.857 5.078 -15.323 1.00 63.32 C ATOM 1029 CD GLN A 446 -6.498 4.674 -16.653 1.00 51.43 C ATOM 1030 OE1 GLN A 446 -7.714 4.693 -16.811 1.00 65.00 O ATOM 1031 NE2 GLN A 446 -5.690 4.251 -17.600 1.00 51.25 N ATOM 0 H GLN A 446 -4.434 7.230 -14.009 1.00 52.33 H new ATOM 0 HA GLN A 446 -6.916 6.938 -12.510 1.00 0.32 H new ATOM 0 HB2 GLN A 446 -7.709 5.707 -14.404 1.00 33.25 H new ATOM 0 HB3 GLN A 446 -6.758 7.025 -15.059 1.00 33.25 H new ATOM 0 HG2 GLN A 446 -4.876 5.509 -15.521 1.00 63.32 H new ATOM 0 HG3 GLN A 446 -5.696 4.183 -14.722 1.00 63.32 H new ATOM 0 HE21 GLN A 446 -4.682 4.245 -17.445 1.00 51.25 H new ATOM 0 HE22 GLN A 446 -6.071 3.929 -18.490 1.00 51.25 H new ATOM 1040 N LYS A 447 -4.519 4.736 -12.291 1.00 23.25 N ATOM 1041 CA LYS A 447 -4.037 3.452 -11.758 1.00 23.45 C ATOM 1042 C LYS A 447 -2.741 3.649 -10.937 1.00 5.01 C ATOM 1043 O LYS A 447 -1.790 4.299 -11.390 1.00 54.34 O ATOM 1044 CB LYS A 447 -3.835 2.441 -12.936 1.00 32.43 C ATOM 1045 CG LYS A 447 -3.307 1.023 -12.536 1.00 41.43 C ATOM 1046 CD LYS A 447 -1.784 0.836 -12.749 1.00 51.23 C ATOM 1047 CE LYS A 447 -1.386 0.865 -14.234 1.00 4.32 C ATOM 1048 NZ LYS A 447 0.055 0.576 -14.426 1.00 54.02 N ATOM 0 H LYS A 447 -3.771 5.344 -12.624 1.00 23.25 H new ATOM 0 HA LYS A 447 -4.782 3.039 -11.078 1.00 23.45 H new ATOM 0 HB2 LYS A 447 -4.787 2.321 -13.453 1.00 32.43 H new ATOM 0 HB3 LYS A 447 -3.138 2.879 -13.650 1.00 32.43 H new ATOM 0 HG2 LYS A 447 -3.542 0.841 -11.487 1.00 41.43 H new ATOM 0 HG3 LYS A 447 -3.840 0.271 -13.117 1.00 41.43 H new ATOM 0 HD2 LYS A 447 -1.247 1.622 -12.218 1.00 51.23 H new ATOM 0 HD3 LYS A 447 -1.474 -0.113 -12.312 1.00 51.23 H new ATOM 0 HE2 LYS A 447 -1.979 0.134 -14.783 1.00 4.32 H new ATOM 0 HE3 LYS A 447 -1.619 1.844 -14.653 1.00 4.32 H new ATOM 0 HZ1 LYS A 447 0.516 1.392 -14.877 1.00 54.02 H new ATOM 0 HZ2 LYS A 447 0.499 0.395 -13.503 1.00 54.02 H new ATOM 0 HZ3 LYS A 447 0.163 -0.262 -15.033 1.00 54.02 H new ATOM 1062 N LEU A 448 -2.731 3.075 -9.720 1.00 61.20 N ATOM 1063 CA LEU A 448 -1.578 3.094 -8.800 1.00 1.45 C ATOM 1064 C LEU A 448 -0.837 1.735 -8.809 1.00 41.30 C ATOM 1065 O LEU A 448 -1.469 0.673 -8.867 1.00 34.41 O ATOM 1066 CB LEU A 448 -2.068 3.433 -7.368 1.00 4.20 C ATOM 1067 CG LEU A 448 -2.802 4.803 -7.199 1.00 54.24 C ATOM 1068 CD1 LEU A 448 -3.243 5.034 -5.735 1.00 30.04 C ATOM 1069 CD2 LEU A 448 -1.939 5.971 -7.724 1.00 22.12 C ATOM 0 H LEU A 448 -3.537 2.577 -9.342 1.00 61.20 H new ATOM 0 HA LEU A 448 -0.875 3.857 -9.134 1.00 1.45 H new ATOM 0 HB2 LEU A 448 -2.740 2.641 -7.039 1.00 4.20 H new ATOM 0 HB3 LEU A 448 -1.208 3.420 -6.699 1.00 4.20 H new ATOM 0 HG LEU A 448 -3.707 4.767 -7.806 1.00 54.24 H new ATOM 0 HD11 LEU A 448 -3.750 5.996 -5.655 1.00 30.04 H new ATOM 0 HD12 LEU A 448 -3.923 4.239 -5.430 1.00 30.04 H new ATOM 0 HD13 LEU A 448 -2.367 5.030 -5.086 1.00 30.04 H new ATOM 0 HD21 LEU A 448 -2.478 6.909 -7.592 1.00 22.12 H new ATOM 0 HD22 LEU A 448 -1.002 6.009 -7.169 1.00 22.12 H new ATOM 0 HD23 LEU A 448 -1.727 5.820 -8.783 1.00 22.12 H new ATOM 1081 N ILE A 449 0.506 1.789 -8.756 1.00 71.33 N ATOM 1082 CA ILE A 449 1.376 0.590 -8.761 1.00 72.23 C ATOM 1083 C ILE A 449 1.790 0.255 -7.312 1.00 24.31 C ATOM 1084 O ILE A 449 2.329 1.113 -6.612 1.00 33.11 O ATOM 1085 CB ILE A 449 2.670 0.797 -9.666 1.00 52.32 C ATOM 1086 CG1 ILE A 449 2.304 0.934 -11.193 1.00 51.12 C ATOM 1087 CG2 ILE A 449 3.702 -0.349 -9.452 1.00 73.20 C ATOM 1088 CD1 ILE A 449 1.569 2.207 -11.596 1.00 31.55 C ATOM 0 H ILE A 449 1.024 2.666 -8.708 1.00 71.33 H new ATOM 0 HA ILE A 449 0.811 -0.238 -9.189 1.00 72.23 H new ATOM 0 HB ILE A 449 3.129 1.734 -9.350 1.00 52.32 H new ATOM 0 HG12 ILE A 449 3.225 0.871 -11.773 1.00 51.12 H new ATOM 0 HG13 ILE A 449 1.690 0.079 -11.476 1.00 51.12 H new ATOM 0 HG21 ILE A 449 4.573 -0.177 -10.084 1.00 73.20 H new ATOM 0 HG22 ILE A 449 4.011 -0.370 -8.407 1.00 73.20 H new ATOM 0 HG23 ILE A 449 3.246 -1.303 -9.715 1.00 73.20 H new ATOM 0 HD11 ILE A 449 1.371 2.189 -12.668 1.00 31.55 H new ATOM 0 HD12 ILE A 449 0.626 2.270 -11.054 1.00 31.55 H new ATOM 0 HD13 ILE A 449 2.184 3.074 -11.355 1.00 31.55 H new ATOM 1100 N MET A 450 1.537 -0.989 -6.868 1.00 14.41 N ATOM 1101 CA MET A 450 1.840 -1.435 -5.486 1.00 32.32 C ATOM 1102 C MET A 450 2.972 -2.492 -5.469 1.00 72.55 C ATOM 1103 O MET A 450 3.080 -3.320 -6.377 1.00 72.42 O ATOM 1104 CB MET A 450 0.538 -1.965 -4.823 1.00 3.31 C ATOM 1105 CG MET A 450 0.673 -2.320 -3.332 1.00 74.35 C ATOM 1106 SD MET A 450 1.078 -4.055 -3.053 1.00 53.44 S ATOM 1107 CE MET A 450 -0.497 -4.835 -3.399 1.00 61.43 C ATOM 0 H MET A 450 1.119 -1.715 -7.450 1.00 14.41 H new ATOM 0 HA MET A 450 2.205 -0.587 -4.906 1.00 32.32 H new ATOM 0 HB2 MET A 450 -0.242 -1.212 -4.934 1.00 3.31 H new ATOM 0 HB3 MET A 450 0.205 -2.851 -5.364 1.00 3.31 H new ATOM 0 HG2 MET A 450 1.446 -1.696 -2.884 1.00 74.35 H new ATOM 0 HG3 MET A 450 -0.261 -2.084 -2.822 1.00 74.35 H new ATOM 0 HE1 MET A 450 -0.328 -5.832 -3.806 1.00 61.43 H new ATOM 0 HE2 MET A 450 -1.075 -4.912 -2.478 1.00 61.43 H new ATOM 0 HE3 MET A 450 -1.048 -4.236 -4.124 1.00 61.43 H new ATOM 1117 N GLN A 451 3.825 -2.439 -4.431 1.00 42.32 N ATOM 1118 CA GLN A 451 5.012 -3.316 -4.289 1.00 13.10 C ATOM 1119 C GLN A 451 4.864 -4.259 -3.065 1.00 40.23 C ATOM 1120 O GLN A 451 4.891 -3.799 -1.917 1.00 31.12 O ATOM 1121 CB GLN A 451 6.261 -2.402 -4.142 1.00 63.24 C ATOM 1122 CG GLN A 451 7.618 -3.122 -3.985 1.00 4.02 C ATOM 1123 CD GLN A 451 8.786 -2.158 -3.719 1.00 23.42 C ATOM 1124 OE1 GLN A 451 9.791 -2.614 -2.998 1.00 52.32 O flip ATOM 1125 NE2 GLN A 451 8.786 -1.011 -4.158 1.00 23.05 N flip ATOM 0 H GLN A 451 3.713 -1.783 -3.658 1.00 42.32 H new ATOM 0 HA GLN A 451 5.115 -3.954 -5.167 1.00 13.10 H new ATOM 0 HB2 GLN A 451 6.316 -1.754 -5.017 1.00 63.24 H new ATOM 0 HB3 GLN A 451 6.113 -1.757 -3.276 1.00 63.24 H new ATOM 0 HG2 GLN A 451 7.551 -3.836 -3.165 1.00 4.02 H new ATOM 0 HG3 GLN A 451 7.826 -3.694 -4.889 1.00 4.02 H new ATOM 0 HE21 GLN A 451 7.998 -0.678 -4.714 1.00 23.05 H new ATOM 0 HE22 GLN A 451 9.574 -0.392 -3.967 1.00 23.05 H new ATOM 1134 N LEU A 452 4.706 -5.581 -3.317 1.00 33.14 N ATOM 1135 CA LEU A 452 4.600 -6.599 -2.242 1.00 71.24 C ATOM 1136 C LEU A 452 5.975 -6.885 -1.596 1.00 0.53 C ATOM 1137 O LEU A 452 6.844 -7.521 -2.204 1.00 52.24 O ATOM 1138 CB LEU A 452 3.980 -7.918 -2.785 1.00 51.43 C ATOM 1139 CG LEU A 452 2.460 -7.866 -3.129 1.00 71.33 C ATOM 1140 CD1 LEU A 452 1.977 -9.237 -3.649 1.00 75.30 C ATOM 1141 CD2 LEU A 452 1.627 -7.402 -1.905 1.00 23.02 C ATOM 0 H LEU A 452 4.649 -5.969 -4.259 1.00 33.14 H new ATOM 0 HA LEU A 452 3.942 -6.192 -1.474 1.00 71.24 H new ATOM 0 HB2 LEU A 452 4.526 -8.211 -3.682 1.00 51.43 H new ATOM 0 HB3 LEU A 452 4.139 -8.703 -2.045 1.00 51.43 H new ATOM 0 HG LEU A 452 2.313 -7.133 -3.922 1.00 71.33 H new ATOM 0 HD11 LEU A 452 0.914 -9.183 -3.884 1.00 75.30 H new ATOM 0 HD12 LEU A 452 2.534 -9.502 -4.547 1.00 75.30 H new ATOM 0 HD13 LEU A 452 2.141 -9.995 -2.883 1.00 75.30 H new ATOM 0 HD21 LEU A 452 0.571 -7.375 -2.173 1.00 23.02 H new ATOM 0 HD22 LEU A 452 1.774 -8.099 -1.080 1.00 23.02 H new ATOM 0 HD23 LEU A 452 1.950 -6.406 -1.601 1.00 23.02 H new ATOM 1153 N ILE A 453 6.153 -6.404 -0.359 1.00 24.02 N ATOM 1154 CA ILE A 453 7.397 -6.564 0.429 1.00 2.14 C ATOM 1155 C ILE A 453 7.074 -6.934 1.905 1.00 3.44 C ATOM 1156 O ILE A 453 6.065 -6.475 2.450 1.00 43.21 O ATOM 1157 CB ILE A 453 8.293 -5.260 0.370 1.00 60.13 C ATOM 1158 CG1 ILE A 453 7.432 -3.970 0.571 1.00 45.02 C ATOM 1159 CG2 ILE A 453 9.112 -5.204 -0.944 1.00 40.24 C ATOM 1160 CD1 ILE A 453 8.229 -2.676 0.611 1.00 1.50 C ATOM 0 H ILE A 453 5.429 -5.883 0.137 1.00 24.02 H new ATOM 0 HA ILE A 453 7.964 -7.381 -0.018 1.00 2.14 H new ATOM 0 HB ILE A 453 9.004 -5.305 1.195 1.00 60.13 H new ATOM 0 HG12 ILE A 453 6.702 -3.907 -0.236 1.00 45.02 H new ATOM 0 HG13 ILE A 453 6.871 -4.065 1.501 1.00 45.02 H new ATOM 0 HG21 ILE A 453 9.718 -4.298 -0.957 1.00 40.24 H new ATOM 0 HG22 ILE A 453 9.763 -6.076 -1.005 1.00 40.24 H new ATOM 0 HG23 ILE A 453 8.433 -5.198 -1.796 1.00 40.24 H new ATOM 0 HD11 ILE A 453 7.550 -1.835 0.753 1.00 1.50 H new ATOM 0 HD12 ILE A 453 8.940 -2.712 1.436 1.00 1.50 H new ATOM 0 HD13 ILE A 453 8.769 -2.552 -0.328 1.00 1.50 H new ATOM 1172 N PRO A 454 7.929 -7.786 2.565 1.00 4.12 N ATOM 1173 CA PRO A 454 7.692 -8.264 3.960 1.00 61.21 C ATOM 1174 C PRO A 454 7.659 -7.113 5.007 1.00 33.42 C ATOM 1175 O PRO A 454 8.588 -6.298 5.089 1.00 74.23 O ATOM 1176 CB PRO A 454 8.882 -9.232 4.211 1.00 13.13 C ATOM 1177 CG PRO A 454 9.937 -8.776 3.245 1.00 74.40 C ATOM 1178 CD PRO A 454 9.194 -8.350 2.010 1.00 44.11 C ATOM 0 HA PRO A 454 6.716 -8.736 4.068 1.00 61.21 H new ATOM 0 HB2 PRO A 454 9.233 -9.173 5.241 1.00 13.13 H new ATOM 0 HB3 PRO A 454 8.597 -10.269 4.030 1.00 13.13 H new ATOM 0 HG2 PRO A 454 10.517 -7.951 3.658 1.00 74.40 H new ATOM 0 HG3 PRO A 454 10.639 -9.579 3.023 1.00 74.40 H new ATOM 0 HD2 PRO A 454 9.751 -7.608 1.438 1.00 44.11 H new ATOM 0 HD3 PRO A 454 9.004 -9.190 1.342 1.00 44.11 H new ATOM 1186 N GLN A 455 6.586 -7.091 5.821 1.00 31.14 N ATOM 1187 CA GLN A 455 6.314 -6.015 6.805 1.00 71.22 C ATOM 1188 C GLN A 455 7.344 -5.998 7.979 1.00 33.13 C ATOM 1189 O GLN A 455 7.486 -4.984 8.678 1.00 30.04 O ATOM 1190 CB GLN A 455 4.849 -6.157 7.308 1.00 23.44 C ATOM 1191 CG GLN A 455 4.317 -4.940 8.093 1.00 33.14 C ATOM 1192 CD GLN A 455 2.827 -5.016 8.458 1.00 61.24 C ATOM 1193 OE1 GLN A 455 2.264 -6.091 8.640 1.00 54.05 O ATOM 1194 NE2 GLN A 455 2.182 -3.868 8.583 1.00 43.24 N ATOM 0 H GLN A 455 5.876 -7.823 5.817 1.00 31.14 H new ATOM 0 HA GLN A 455 6.433 -5.050 6.312 1.00 71.22 H new ATOM 0 HB2 GLN A 455 4.200 -6.331 6.450 1.00 23.44 H new ATOM 0 HB3 GLN A 455 4.781 -7.040 7.943 1.00 23.44 H new ATOM 0 HG2 GLN A 455 4.897 -4.834 9.010 1.00 33.14 H new ATOM 0 HG3 GLN A 455 4.487 -4.040 7.502 1.00 33.14 H new ATOM 0 HE21 GLN A 455 2.673 -2.988 8.426 1.00 43.24 H new ATOM 0 HE22 GLN A 455 1.194 -3.863 8.836 1.00 43.24 H new ATOM 1203 N GLN A 456 8.074 -7.121 8.155 1.00 41.11 N ATOM 1204 CA GLN A 456 9.181 -7.254 9.143 1.00 31.02 C ATOM 1205 C GLN A 456 10.276 -6.170 8.944 1.00 60.34 C ATOM 1206 O GLN A 456 10.705 -5.526 9.903 1.00 74.23 O ATOM 1207 CB GLN A 456 9.817 -8.669 9.017 1.00 21.53 C ATOM 1208 CG GLN A 456 10.984 -8.971 9.985 1.00 54.42 C ATOM 1209 CD GLN A 456 10.573 -8.972 11.461 1.00 31.40 C ATOM 1210 OE1 GLN A 456 10.172 -9.992 12.004 1.00 72.51 O ATOM 1211 NE2 GLN A 456 10.667 -7.830 12.116 1.00 71.51 N ATOM 0 H GLN A 456 7.915 -7.971 7.614 1.00 41.11 H new ATOM 0 HA GLN A 456 8.759 -7.115 10.138 1.00 31.02 H new ATOM 0 HB2 GLN A 456 9.036 -9.413 9.176 1.00 21.53 H new ATOM 0 HB3 GLN A 456 10.175 -8.796 7.995 1.00 21.53 H new ATOM 0 HG2 GLN A 456 11.410 -9.942 9.735 1.00 54.42 H new ATOM 0 HG3 GLN A 456 11.770 -8.230 9.836 1.00 54.42 H new ATOM 0 HE21 GLN A 456 11.005 -6.994 11.638 1.00 71.51 H new ATOM 0 HE22 GLN A 456 10.402 -7.783 13.100 1.00 71.51 H new ATOM 1220 N LEU A 457 10.699 -5.982 7.684 1.00 41.53 N ATOM 1221 CA LEU A 457 11.755 -5.006 7.306 1.00 41.41 C ATOM 1222 C LEU A 457 11.259 -3.548 7.452 1.00 21.44 C ATOM 1223 O LEU A 457 12.030 -2.632 7.741 1.00 42.40 O ATOM 1224 CB LEU A 457 12.197 -5.269 5.840 1.00 41.43 C ATOM 1225 CG LEU A 457 12.670 -6.724 5.525 1.00 23.43 C ATOM 1226 CD1 LEU A 457 13.011 -6.889 4.032 1.00 42.43 C ATOM 1227 CD2 LEU A 457 13.858 -7.137 6.428 1.00 24.10 C ATOM 0 H LEU A 457 10.322 -6.500 6.890 1.00 41.53 H new ATOM 0 HA LEU A 457 12.601 -5.138 7.980 1.00 41.41 H new ATOM 0 HB2 LEU A 457 11.364 -5.027 5.180 1.00 41.43 H new ATOM 0 HB3 LEU A 457 13.008 -4.582 5.596 1.00 41.43 H new ATOM 0 HG LEU A 457 11.842 -7.397 5.748 1.00 23.43 H new ATOM 0 HD11 LEU A 457 13.337 -7.912 3.844 1.00 42.43 H new ATOM 0 HD12 LEU A 457 12.128 -6.673 3.431 1.00 42.43 H new ATOM 0 HD13 LEU A 457 13.810 -6.198 3.763 1.00 42.43 H new ATOM 0 HD21 LEU A 457 14.164 -8.154 6.184 1.00 24.10 H new ATOM 0 HD22 LEU A 457 14.694 -6.457 6.263 1.00 24.10 H new ATOM 0 HD23 LEU A 457 13.554 -7.090 7.474 1.00 24.10 H new ATOM 1239 N LEU A 458 9.950 -3.376 7.253 1.00 4.32 N ATOM 1240 CA LEU A 458 9.274 -2.065 7.197 1.00 41.52 C ATOM 1241 C LEU A 458 9.039 -1.431 8.585 1.00 41.02 C ATOM 1242 O LEU A 458 8.820 -0.225 8.678 1.00 22.32 O ATOM 1243 CB LEU A 458 7.963 -2.253 6.417 1.00 12.14 C ATOM 1244 CG LEU A 458 8.194 -2.782 4.966 1.00 5.30 C ATOM 1245 CD1 LEU A 458 6.903 -3.280 4.319 1.00 61.32 C ATOM 1246 CD2 LEU A 458 8.884 -1.707 4.100 1.00 14.01 C ATOM 0 H LEU A 458 9.310 -4.159 7.123 1.00 4.32 H new ATOM 0 HA LEU A 458 9.923 -1.353 6.687 1.00 41.52 H new ATOM 0 HB2 LEU A 458 7.322 -2.951 6.956 1.00 12.14 H new ATOM 0 HB3 LEU A 458 7.432 -1.302 6.372 1.00 12.14 H new ATOM 0 HG LEU A 458 8.858 -3.644 5.033 1.00 5.30 H new ATOM 0 HD11 LEU A 458 7.115 -3.638 3.311 1.00 61.32 H new ATOM 0 HD12 LEU A 458 6.489 -4.094 4.913 1.00 61.32 H new ATOM 0 HD13 LEU A 458 6.182 -2.464 4.270 1.00 61.32 H new ATOM 0 HD21 LEU A 458 9.037 -2.094 3.093 1.00 14.01 H new ATOM 0 HD22 LEU A 458 8.256 -0.817 4.056 1.00 14.01 H new ATOM 0 HD23 LEU A 458 9.848 -1.449 4.539 1.00 14.01 H new ATOM 1258 N THR A 459 9.083 -2.244 9.661 1.00 4.10 N ATOM 1259 CA THR A 459 9.006 -1.733 11.064 1.00 52.31 C ATOM 1260 C THR A 459 10.235 -0.849 11.422 1.00 63.33 C ATOM 1261 O THR A 459 10.200 -0.074 12.384 1.00 3.43 O ATOM 1262 CB THR A 459 8.883 -2.901 12.101 1.00 73.22 C ATOM 1263 OG1 THR A 459 10.057 -3.733 12.056 1.00 21.43 O ATOM 1264 CG2 THR A 459 7.634 -3.763 11.842 1.00 41.51 C ATOM 0 H THR A 459 9.171 -3.258 9.595 1.00 4.10 H new ATOM 0 HA THR A 459 8.106 -1.121 11.119 1.00 52.31 H new ATOM 0 HB THR A 459 8.788 -2.451 13.089 1.00 73.22 H new ATOM 0 HG1 THR A 459 10.057 -4.255 11.226 1.00 21.43 H new ATOM 0 HG21 THR A 459 7.584 -4.562 12.582 1.00 41.51 H new ATOM 0 HG22 THR A 459 6.741 -3.142 11.918 1.00 41.51 H new ATOM 0 HG23 THR A 459 7.691 -4.196 10.843 1.00 41.51 H new ATOM 1272 N THR A 460 11.318 -0.988 10.630 1.00 33.24 N ATOM 1273 CA THR A 460 12.514 -0.112 10.698 1.00 62.34 C ATOM 1274 C THR A 460 12.172 1.350 10.294 1.00 14.41 C ATOM 1275 O THR A 460 12.785 2.302 10.790 1.00 72.13 O ATOM 1276 CB THR A 460 13.655 -0.670 9.771 1.00 71.22 C ATOM 1277 OG1 THR A 460 13.918 -2.041 10.111 1.00 31.15 O ATOM 1278 CG2 THR A 460 14.968 0.132 9.877 1.00 31.30 C ATOM 0 H THR A 460 11.391 -1.716 9.919 1.00 33.24 H new ATOM 0 HA THR A 460 12.861 -0.106 11.731 1.00 62.34 H new ATOM 0 HB THR A 460 13.301 -0.579 8.744 1.00 71.22 H new ATOM 0 HG1 THR A 460 13.427 -2.629 9.500 1.00 31.15 H new ATOM 0 HG21 THR A 460 15.715 -0.303 9.213 1.00 31.30 H new ATOM 0 HG22 THR A 460 14.786 1.167 9.589 1.00 31.30 H new ATOM 0 HG23 THR A 460 15.332 0.100 10.904 1.00 31.30 H new ATOM 1286 N LEU A 461 11.157 1.517 9.419 1.00 64.25 N ATOM 1287 CA LEU A 461 10.706 2.842 8.910 1.00 40.20 C ATOM 1288 C LEU A 461 9.724 3.544 9.898 1.00 12.14 C ATOM 1289 O LEU A 461 8.783 4.217 9.463 1.00 74.25 O ATOM 1290 CB LEU A 461 10.013 2.667 7.517 1.00 55.22 C ATOM 1291 CG LEU A 461 10.765 1.793 6.451 1.00 2.20 C ATOM 1292 CD1 LEU A 461 10.027 1.796 5.093 1.00 52.41 C ATOM 1293 CD2 LEU A 461 12.241 2.219 6.289 1.00 44.22 C ATOM 0 H LEU A 461 10.621 0.736 9.041 1.00 64.25 H new ATOM 0 HA LEU A 461 11.588 3.474 8.812 1.00 40.20 H new ATOM 0 HB2 LEU A 461 9.029 2.228 7.681 1.00 55.22 H new ATOM 0 HB3 LEU A 461 9.854 3.658 7.091 1.00 55.22 H new ATOM 0 HG LEU A 461 10.766 0.769 6.825 1.00 2.20 H new ATOM 0 HD11 LEU A 461 10.576 1.181 4.379 1.00 52.41 H new ATOM 0 HD12 LEU A 461 9.023 1.392 5.224 1.00 52.41 H new ATOM 0 HD13 LEU A 461 9.961 2.817 4.717 1.00 52.41 H new ATOM 0 HD21 LEU A 461 12.722 1.588 5.542 1.00 44.22 H new ATOM 0 HD22 LEU A 461 12.286 3.260 5.968 1.00 44.22 H new ATOM 0 HD23 LEU A 461 12.758 2.111 7.243 1.00 44.22 H new ATOM 1305 N GLY A 462 9.992 3.419 11.215 1.00 21.03 N ATOM 1306 CA GLY A 462 9.152 4.003 12.279 1.00 12.33 C ATOM 1307 C GLY A 462 8.785 5.493 12.084 1.00 31.43 C ATOM 1308 O GLY A 462 7.595 5.810 11.997 1.00 3.33 O ATOM 0 H GLY A 462 10.800 2.908 11.570 1.00 21.03 H new ATOM 0 HA2 GLY A 462 8.231 3.425 12.351 1.00 12.33 H new ATOM 0 HA3 GLY A 462 9.672 3.895 13.231 1.00 12.33 H new ATOM 1312 N PRO A 463 9.787 6.434 11.994 1.00 51.44 N ATOM 1313 CA PRO A 463 9.525 7.892 11.768 1.00 53.03 C ATOM 1314 C PRO A 463 8.736 8.192 10.462 1.00 11.11 C ATOM 1315 O PRO A 463 8.016 9.193 10.383 1.00 11.35 O ATOM 1316 CB PRO A 463 10.953 8.513 11.729 1.00 1.54 C ATOM 1317 CG PRO A 463 11.865 7.356 11.439 1.00 50.21 C ATOM 1318 CD PRO A 463 11.242 6.176 12.142 1.00 11.20 C ATOM 0 HA PRO A 463 8.887 8.308 12.548 1.00 53.03 H new ATOM 0 HB2 PRO A 463 11.030 9.280 10.959 1.00 1.54 H new ATOM 0 HB3 PRO A 463 11.204 8.987 12.678 1.00 1.54 H new ATOM 0 HG2 PRO A 463 11.946 7.178 10.367 1.00 50.21 H new ATOM 0 HG3 PRO A 463 12.873 7.547 11.808 1.00 50.21 H new ATOM 0 HD2 PRO A 463 11.534 5.232 11.683 1.00 11.20 H new ATOM 0 HD3 PRO A 463 11.539 6.126 13.189 1.00 11.20 H new ATOM 1326 N LEU A 464 8.875 7.304 9.456 1.00 34.55 N ATOM 1327 CA LEU A 464 8.165 7.421 8.163 1.00 31.23 C ATOM 1328 C LEU A 464 6.652 7.089 8.310 1.00 54.21 C ATOM 1329 O LEU A 464 5.805 7.733 7.688 1.00 34.01 O ATOM 1330 CB LEU A 464 8.860 6.523 7.106 1.00 21.23 C ATOM 1331 CG LEU A 464 10.354 6.896 6.802 1.00 23.45 C ATOM 1332 CD1 LEU A 464 11.027 5.861 5.879 1.00 22.21 C ATOM 1333 CD2 LEU A 464 10.466 8.327 6.218 1.00 51.43 C ATOM 0 H LEU A 464 9.482 6.486 9.516 1.00 34.55 H new ATOM 0 HA LEU A 464 8.218 8.455 7.822 1.00 31.23 H new ATOM 0 HB2 LEU A 464 8.821 5.489 7.447 1.00 21.23 H new ATOM 0 HB3 LEU A 464 8.292 6.574 6.177 1.00 21.23 H new ATOM 0 HG LEU A 464 10.891 6.879 7.750 1.00 23.45 H new ATOM 0 HD11 LEU A 464 12.060 6.156 5.693 1.00 22.21 H new ATOM 0 HD12 LEU A 464 11.010 4.882 6.357 1.00 22.21 H new ATOM 0 HD13 LEU A 464 10.488 5.812 4.933 1.00 22.21 H new ATOM 0 HD21 LEU A 464 11.512 8.557 6.017 1.00 51.43 H new ATOM 0 HD22 LEU A 464 9.897 8.387 5.290 1.00 51.43 H new ATOM 0 HD23 LEU A 464 10.067 9.045 6.935 1.00 51.43 H new ATOM 1345 N PHE A 465 6.324 6.093 9.159 1.00 60.45 N ATOM 1346 CA PHE A 465 4.916 5.764 9.517 1.00 33.40 C ATOM 1347 C PHE A 465 4.301 6.795 10.507 1.00 13.31 C ATOM 1348 O PHE A 465 3.074 6.869 10.645 1.00 55.43 O ATOM 1349 CB PHE A 465 4.824 4.330 10.113 1.00 52.44 C ATOM 1350 CG PHE A 465 4.986 3.208 9.082 1.00 11.10 C ATOM 1351 CD1 PHE A 465 3.917 2.853 8.268 1.00 74.44 C ATOM 1352 CD2 PHE A 465 6.185 2.514 8.923 1.00 65.04 C ATOM 1353 CE1 PHE A 465 4.033 1.848 7.336 1.00 50.42 C ATOM 1354 CE2 PHE A 465 6.298 1.504 7.981 1.00 23.21 C ATOM 1355 CZ PHE A 465 5.221 1.174 7.192 1.00 12.21 C ATOM 0 H PHE A 465 7.014 5.496 9.615 1.00 60.45 H new ATOM 0 HA PHE A 465 4.335 5.809 8.596 1.00 33.40 H new ATOM 0 HB2 PHE A 465 5.591 4.217 10.879 1.00 52.44 H new ATOM 0 HB3 PHE A 465 3.860 4.216 10.608 1.00 52.44 H new ATOM 0 HD1 PHE A 465 2.978 3.376 8.369 1.00 74.44 H new ATOM 0 HD2 PHE A 465 7.034 2.766 9.540 1.00 65.04 H new ATOM 0 HE1 PHE A 465 3.188 1.588 6.716 1.00 50.42 H new ATOM 0 HE2 PHE A 465 7.233 0.975 7.866 1.00 23.21 H new ATOM 0 HZ PHE A 465 5.309 0.385 6.460 1.00 12.21 H new ATOM 1365 N ARG A 466 5.154 7.569 11.207 1.00 22.33 N ATOM 1366 CA ARG A 466 4.699 8.627 12.141 1.00 10.52 C ATOM 1367 C ARG A 466 4.313 9.922 11.389 1.00 3.50 C ATOM 1368 O ARG A 466 3.249 10.500 11.644 1.00 52.13 O ATOM 1369 CB ARG A 466 5.797 8.931 13.196 1.00 65.53 C ATOM 1370 CG ARG A 466 6.148 7.749 14.127 1.00 71.13 C ATOM 1371 CD ARG A 466 4.942 7.240 14.937 1.00 34.02 C ATOM 1372 NE ARG A 466 4.381 8.281 15.823 1.00 34.53 N ATOM 1373 CZ ARG A 466 3.606 8.065 16.866 1.00 70.32 C ATOM 1374 NH1 ARG A 466 3.272 6.864 17.227 1.00 34.21 N ATOM 1375 NH2 ARG A 466 3.168 9.067 17.550 1.00 64.15 N ATOM 0 H ARG A 466 6.168 7.483 11.145 1.00 22.33 H new ATOM 0 HA ARG A 466 3.809 8.255 12.649 1.00 10.52 H new ATOM 0 HB2 ARG A 466 6.702 9.247 12.677 1.00 65.53 H new ATOM 0 HB3 ARG A 466 5.470 9.772 13.808 1.00 65.53 H new ATOM 0 HG2 ARG A 466 6.549 6.930 13.529 1.00 71.13 H new ATOM 0 HG3 ARG A 466 6.936 8.057 14.814 1.00 71.13 H new ATOM 0 HD2 ARG A 466 4.168 6.893 14.252 1.00 34.02 H new ATOM 0 HD3 ARG A 466 5.246 6.382 15.536 1.00 34.02 H new ATOM 0 HE ARG A 466 4.614 9.251 15.608 1.00 34.53 H new ATOM 0 HH11 ARG A 466 3.611 6.060 16.699 1.00 34.21 H new ATOM 0 HH12 ARG A 466 2.670 6.724 18.039 1.00 34.21 H new ATOM 0 HH21 ARG A 466 3.422 10.018 17.282 1.00 64.15 H new ATOM 0 HH22 ARG A 466 2.567 8.909 18.359 1.00 64.15 H new ATOM 1389 N ASN A 467 5.188 10.382 10.471 1.00 3.01 N ATOM 1390 CA ASN A 467 4.948 11.612 9.684 1.00 64.32 C ATOM 1391 C ASN A 467 4.133 11.274 8.410 1.00 73.33 C ATOM 1392 O ASN A 467 4.671 11.213 7.296 1.00 4.11 O ATOM 1393 CB ASN A 467 6.293 12.314 9.337 1.00 62.14 C ATOM 1394 CG ASN A 467 6.113 13.743 8.798 1.00 4.21 C ATOM 1395 OD1 ASN A 467 5.184 14.446 9.177 1.00 24.12 O ATOM 1396 ND2 ASN A 467 6.994 14.187 7.924 1.00 43.13 N ATOM 0 H ASN A 467 6.071 9.919 10.255 1.00 3.01 H new ATOM 0 HA ASN A 467 4.364 12.310 10.283 1.00 64.32 H new ATOM 0 HB2 ASN A 467 6.919 12.346 10.229 1.00 62.14 H new ATOM 0 HB3 ASN A 467 6.825 11.718 8.596 1.00 62.14 H new ATOM 0 HD21 ASN A 467 6.910 15.132 7.550 1.00 43.13 H new ATOM 0 HD22 ASN A 467 7.760 13.585 7.622 1.00 43.13 H new ATOM 1403 N SER A 468 2.823 11.035 8.600 1.00 23.53 N ATOM 1404 CA SER A 468 1.934 10.533 7.534 1.00 50.23 C ATOM 1405 C SER A 468 0.461 10.954 7.757 1.00 54.31 C ATOM 1406 O SER A 468 0.084 11.396 8.848 1.00 35.14 O ATOM 1407 CB SER A 468 2.020 8.981 7.466 1.00 1.01 C ATOM 1408 OG SER A 468 1.488 8.370 8.632 1.00 61.43 O ATOM 0 H SER A 468 2.351 11.183 9.492 1.00 23.53 H new ATOM 0 HA SER A 468 2.270 10.973 6.595 1.00 50.23 H new ATOM 0 HB2 SER A 468 1.478 8.625 6.590 1.00 1.01 H new ATOM 0 HB3 SER A 468 3.060 8.680 7.341 1.00 1.01 H new ATOM 0 HG SER A 468 2.213 7.950 9.141 1.00 61.43 H new ATOM 1414 N ARG A 469 -0.367 10.823 6.697 1.00 24.25 N ATOM 1415 CA ARG A 469 -1.846 10.922 6.805 1.00 43.22 C ATOM 1416 C ARG A 469 -2.482 9.543 6.516 1.00 1.24 C ATOM 1417 O ARG A 469 -2.210 8.922 5.480 1.00 50.31 O ATOM 1418 CB ARG A 469 -2.431 12.018 5.865 1.00 3.12 C ATOM 1419 CG ARG A 469 -2.091 11.882 4.362 1.00 22.22 C ATOM 1420 CD ARG A 469 -2.822 12.924 3.484 1.00 33.33 C ATOM 1421 NE ARG A 469 -2.447 14.305 3.831 1.00 21.44 N ATOM 1422 CZ ARG A 469 -3.083 15.395 3.467 1.00 23.23 C ATOM 1423 NH1 ARG A 469 -4.188 15.347 2.785 1.00 45.13 N ATOM 1424 NH2 ARG A 469 -2.607 16.537 3.827 1.00 3.53 N ATOM 0 H ARG A 469 -0.036 10.647 5.748 1.00 24.25 H new ATOM 0 HA ARG A 469 -2.092 11.223 7.823 1.00 43.22 H new ATOM 0 HB2 ARG A 469 -3.516 12.018 5.972 1.00 3.12 H new ATOM 0 HB3 ARG A 469 -2.077 12.990 6.210 1.00 3.12 H new ATOM 0 HG2 ARG A 469 -1.015 11.991 4.227 1.00 22.22 H new ATOM 0 HG3 ARG A 469 -2.355 10.880 4.024 1.00 22.22 H new ATOM 0 HD2 ARG A 469 -2.590 12.739 2.435 1.00 33.33 H new ATOM 0 HD3 ARG A 469 -3.899 12.802 3.599 1.00 33.33 H new ATOM 0 HE ARG A 469 -1.615 14.427 4.408 1.00 21.44 H new ATOM 0 HH11 ARG A 469 -4.584 14.446 2.518 1.00 45.13 H new ATOM 0 HH12 ARG A 469 -4.660 16.211 2.517 1.00 45.13 H new ATOM 0 HH21 ARG A 469 -1.753 16.581 4.383 1.00 3.53 H new ATOM 0 HH22 ARG A 469 -3.084 17.397 3.556 1.00 3.53 H new ATOM 1438 N MET A 470 -3.308 9.061 7.455 1.00 10.31 N ATOM 1439 CA MET A 470 -3.956 7.741 7.351 1.00 13.42 C ATOM 1440 C MET A 470 -5.302 7.851 6.586 1.00 23.23 C ATOM 1441 O MET A 470 -6.256 8.475 7.066 1.00 52.54 O ATOM 1442 CB MET A 470 -4.185 7.155 8.770 1.00 12.25 C ATOM 1443 CG MET A 470 -4.641 5.696 8.790 1.00 31.23 C ATOM 1444 SD MET A 470 -4.857 5.071 10.472 1.00 72.21 S ATOM 1445 CE MET A 470 -5.180 3.339 10.161 1.00 41.54 C ATOM 0 H MET A 470 -3.547 9.571 8.306 1.00 10.31 H new ATOM 0 HA MET A 470 -3.302 7.072 6.792 1.00 13.42 H new ATOM 0 HB2 MET A 470 -3.258 7.240 9.338 1.00 12.25 H new ATOM 0 HB3 MET A 470 -4.931 7.762 9.284 1.00 12.25 H new ATOM 0 HG2 MET A 470 -5.581 5.604 8.246 1.00 31.23 H new ATOM 0 HG3 MET A 470 -3.909 5.081 8.267 1.00 31.23 H new ATOM 0 HE1 MET A 470 -6.169 3.080 10.539 1.00 41.54 H new ATOM 0 HE2 MET A 470 -5.140 3.148 9.089 1.00 41.54 H new ATOM 0 HE3 MET A 470 -4.428 2.732 10.666 1.00 41.54 H new ATOM 1455 N VAL A 471 -5.358 7.238 5.391 1.00 23.40 N ATOM 1456 CA VAL A 471 -6.567 7.200 4.536 1.00 60.01 C ATOM 1457 C VAL A 471 -7.162 5.766 4.506 1.00 51.32 C ATOM 1458 O VAL A 471 -6.485 4.790 4.858 1.00 75.54 O ATOM 1459 CB VAL A 471 -6.250 7.722 3.073 1.00 12.14 C ATOM 1460 CG1 VAL A 471 -5.613 9.138 3.122 1.00 2.44 C ATOM 1461 CG2 VAL A 471 -5.353 6.736 2.280 1.00 62.31 C ATOM 0 H VAL A 471 -4.561 6.749 4.984 1.00 23.40 H new ATOM 0 HA VAL A 471 -7.312 7.869 4.966 1.00 60.01 H new ATOM 0 HB VAL A 471 -7.199 7.786 2.540 1.00 12.14 H new ATOM 0 HG11 VAL A 471 -5.403 9.478 2.108 1.00 2.44 H new ATOM 0 HG12 VAL A 471 -6.304 9.831 3.601 1.00 2.44 H new ATOM 0 HG13 VAL A 471 -4.684 9.100 3.691 1.00 2.44 H new ATOM 0 HG21 VAL A 471 -5.163 7.137 1.284 1.00 62.31 H new ATOM 0 HG22 VAL A 471 -4.407 6.603 2.804 1.00 62.31 H new ATOM 0 HG23 VAL A 471 -5.858 5.774 2.194 1.00 62.31 H new ATOM 1471 N GLN A 472 -8.435 5.656 4.104 1.00 33.23 N ATOM 1472 CA GLN A 472 -9.176 4.370 4.083 1.00 1.54 C ATOM 1473 C GLN A 472 -9.243 3.826 2.633 1.00 71.22 C ATOM 1474 O GLN A 472 -9.645 4.546 1.721 1.00 1.23 O ATOM 1475 CB GLN A 472 -10.602 4.609 4.691 1.00 12.22 C ATOM 1476 CG GLN A 472 -11.366 3.344 5.169 1.00 13.34 C ATOM 1477 CD GLN A 472 -11.918 2.445 4.052 1.00 61.52 C ATOM 1478 OE1 GLN A 472 -12.263 2.912 2.970 1.00 65.23 O ATOM 1479 NE2 GLN A 472 -12.022 1.152 4.314 1.00 10.13 N ATOM 0 H GLN A 472 -8.988 6.451 3.783 1.00 33.23 H new ATOM 0 HA GLN A 472 -8.665 3.618 4.684 1.00 1.54 H new ATOM 0 HB2 GLN A 472 -10.504 5.290 5.537 1.00 12.22 H new ATOM 0 HB3 GLN A 472 -11.212 5.116 3.943 1.00 12.22 H new ATOM 0 HG2 GLN A 472 -10.697 2.751 5.792 1.00 13.34 H new ATOM 0 HG3 GLN A 472 -12.196 3.659 5.802 1.00 13.34 H new ATOM 0 HE21 GLN A 472 -11.728 0.790 5.221 1.00 10.13 H new ATOM 0 HE22 GLN A 472 -12.396 0.517 3.609 1.00 10.13 H new ATOM 1488 N PHE A 473 -8.828 2.561 2.424 1.00 30.34 N ATOM 1489 CA PHE A 473 -8.963 1.872 1.114 1.00 74.40 C ATOM 1490 C PHE A 473 -10.138 0.863 1.137 1.00 4.04 C ATOM 1491 O PHE A 473 -10.075 -0.176 1.807 1.00 14.44 O ATOM 1492 CB PHE A 473 -7.638 1.149 0.721 1.00 11.23 C ATOM 1493 CG PHE A 473 -6.581 2.052 0.083 1.00 0.33 C ATOM 1494 CD1 PHE A 473 -5.783 2.890 0.859 1.00 63.31 C ATOM 1495 CD2 PHE A 473 -6.390 2.057 -1.304 1.00 71.54 C ATOM 1496 CE1 PHE A 473 -4.828 3.701 0.271 1.00 3.45 C ATOM 1497 CE2 PHE A 473 -5.435 2.868 -1.888 1.00 52.31 C ATOM 1498 CZ PHE A 473 -4.656 3.691 -1.100 1.00 1.30 C ATOM 0 H PHE A 473 -8.393 1.988 3.147 1.00 30.34 H new ATOM 0 HA PHE A 473 -9.175 2.632 0.362 1.00 74.40 H new ATOM 0 HB2 PHE A 473 -7.213 0.689 1.613 1.00 11.23 H new ATOM 0 HB3 PHE A 473 -7.873 0.342 0.027 1.00 11.23 H new ATOM 0 HD1 PHE A 473 -5.911 2.907 1.931 1.00 63.31 H new ATOM 0 HD2 PHE A 473 -6.998 1.418 -1.927 1.00 71.54 H new ATOM 0 HE1 PHE A 473 -4.215 4.344 0.886 1.00 3.45 H new ATOM 0 HE2 PHE A 473 -5.299 2.858 -2.959 1.00 52.31 H new ATOM 0 HZ PHE A 473 -3.912 4.327 -1.555 1.00 1.30 H new ATOM 1508 N HIS A 474 -11.213 1.201 0.406 1.00 1.04 N ATOM 1509 CA HIS A 474 -12.327 0.285 0.103 1.00 4.42 C ATOM 1510 C HIS A 474 -12.180 -0.251 -1.331 1.00 70.24 C ATOM 1511 O HIS A 474 -12.135 0.523 -2.288 1.00 74.53 O ATOM 1512 CB HIS A 474 -13.689 1.014 0.245 1.00 42.43 C ATOM 1513 CG HIS A 474 -14.889 0.142 -0.068 1.00 34.41 C ATOM 1514 ND1 HIS A 474 -15.311 -0.821 0.815 1.00 13.43 N ATOM 1515 CD2 HIS A 474 -15.684 0.101 -1.173 1.00 34.23 C ATOM 1516 CE1 HIS A 474 -16.336 -1.417 0.242 1.00 33.23 C ATOM 1517 NE2 HIS A 474 -16.599 -0.894 -0.963 1.00 35.21 N ATOM 0 H HIS A 474 -11.335 2.130 0.003 1.00 1.04 H new ATOM 0 HA HIS A 474 -12.298 -0.543 0.811 1.00 4.42 H new ATOM 0 HB2 HIS A 474 -13.783 1.392 1.263 1.00 42.43 H new ATOM 0 HB3 HIS A 474 -13.698 1.879 -0.418 1.00 42.43 H new ATOM 0 HD2 HIS A 474 -15.607 0.732 -2.046 1.00 34.23 H new ATOM 0 HE1 HIS A 474 -16.895 -2.226 0.688 1.00 33.23 H new ATOM 0 HE2 HIS A 474 -17.340 -1.183 -1.602 1.00 35.21 H new ATOM 1525 N PHE A 475 -12.096 -1.571 -1.476 1.00 10.30 N ATOM 1526 CA PHE A 475 -12.113 -2.225 -2.796 1.00 35.23 C ATOM 1527 C PHE A 475 -13.568 -2.578 -3.175 1.00 23.55 C ATOM 1528 O PHE A 475 -14.200 -3.408 -2.510 1.00 62.43 O ATOM 1529 CB PHE A 475 -11.190 -3.465 -2.795 1.00 2.34 C ATOM 1530 CG PHE A 475 -9.722 -3.097 -2.569 1.00 25.13 C ATOM 1531 CD1 PHE A 475 -8.903 -2.738 -3.638 1.00 70.11 C ATOM 1532 CD2 PHE A 475 -9.166 -3.084 -1.291 1.00 25.23 C ATOM 1533 CE1 PHE A 475 -7.582 -2.386 -3.438 1.00 44.41 C ATOM 1534 CE2 PHE A 475 -7.842 -2.732 -1.097 1.00 2.14 C ATOM 1535 CZ PHE A 475 -7.052 -2.385 -2.166 1.00 3.55 C ATOM 0 H PHE A 475 -12.015 -2.219 -0.693 1.00 10.30 H new ATOM 0 HA PHE A 475 -11.725 -1.543 -3.553 1.00 35.23 H new ATOM 0 HB2 PHE A 475 -11.513 -4.155 -2.016 1.00 2.34 H new ATOM 0 HB3 PHE A 475 -11.289 -3.989 -3.746 1.00 2.34 H new ATOM 0 HD1 PHE A 475 -9.308 -2.735 -4.639 1.00 70.11 H new ATOM 0 HD2 PHE A 475 -9.776 -3.352 -0.441 1.00 25.23 H new ATOM 0 HE1 PHE A 475 -6.964 -2.111 -4.280 1.00 44.41 H new ATOM 0 HE2 PHE A 475 -7.427 -2.730 -0.100 1.00 2.14 H new ATOM 0 HZ PHE A 475 -6.019 -2.112 -2.010 1.00 3.55 H new ATOM 1545 N THR A 476 -14.085 -1.903 -4.230 1.00 3.52 N ATOM 1546 CA THR A 476 -15.500 -1.998 -4.670 1.00 12.20 C ATOM 1547 C THR A 476 -15.926 -3.466 -4.931 1.00 2.02 C ATOM 1548 O THR A 476 -15.181 -4.218 -5.564 1.00 74.42 O ATOM 1549 CB THR A 476 -15.737 -1.148 -5.970 1.00 12.32 C ATOM 1550 OG1 THR A 476 -15.224 0.185 -5.783 1.00 71.43 O ATOM 1551 CG2 THR A 476 -17.235 -1.064 -6.340 1.00 0.24 C ATOM 0 H THR A 476 -13.527 -1.272 -4.805 1.00 3.52 H new ATOM 0 HA THR A 476 -16.111 -1.602 -3.859 1.00 12.20 H new ATOM 0 HB THR A 476 -15.212 -1.646 -6.785 1.00 12.32 H new ATOM 0 HG1 THR A 476 -15.373 0.710 -6.597 1.00 71.43 H new ATOM 0 HG21 THR A 476 -17.353 -0.467 -7.245 1.00 0.24 H new ATOM 0 HG22 THR A 476 -17.624 -2.067 -6.514 1.00 0.24 H new ATOM 0 HG23 THR A 476 -17.786 -0.598 -5.523 1.00 0.24 H new ATOM 1559 N ASN A 477 -17.126 -3.835 -4.406 1.00 31.01 N ATOM 1560 CA ASN A 477 -17.715 -5.207 -4.435 1.00 61.11 C ATOM 1561 C ASN A 477 -17.156 -6.123 -3.305 1.00 45.43 C ATOM 1562 O ASN A 477 -17.902 -6.946 -2.765 1.00 3.50 O ATOM 1563 CB ASN A 477 -17.588 -5.913 -5.819 1.00 44.21 C ATOM 1564 CG ASN A 477 -18.229 -5.128 -6.971 1.00 51.23 C ATOM 1565 OD1 ASN A 477 -19.174 -4.365 -6.781 1.00 33.13 O ATOM 1566 ND2 ASN A 477 -17.726 -5.315 -8.176 1.00 32.52 N ATOM 0 H ASN A 477 -17.732 -3.164 -3.934 1.00 31.01 H new ATOM 0 HA ASN A 477 -18.778 -5.052 -4.252 1.00 61.11 H new ATOM 0 HB2 ASN A 477 -16.533 -6.071 -6.041 1.00 44.21 H new ATOM 0 HB3 ASN A 477 -18.052 -6.898 -5.759 1.00 44.21 H new ATOM 0 HD21 ASN A 477 -18.121 -4.821 -8.976 1.00 32.52 H new ATOM 0 HD22 ASN A 477 -16.942 -5.953 -8.308 1.00 32.52 H new ATOM 1573 N LYS A 478 -15.836 -5.994 -2.994 1.00 14.24 N ATOM 1574 CA LYS A 478 -15.115 -6.747 -1.914 1.00 64.43 C ATOM 1575 C LYS A 478 -14.814 -8.234 -2.282 1.00 2.34 C ATOM 1576 O LYS A 478 -13.805 -8.800 -1.845 1.00 30.22 O ATOM 1577 CB LYS A 478 -15.857 -6.673 -0.541 1.00 21.13 C ATOM 1578 CG LYS A 478 -15.062 -7.248 0.662 1.00 31.44 C ATOM 1579 CD LYS A 478 -15.912 -7.436 1.948 1.00 61.32 C ATOM 1580 CE LYS A 478 -16.819 -8.693 1.921 1.00 32.34 C ATOM 1581 NZ LYS A 478 -17.870 -8.642 0.869 1.00 53.13 N ATOM 0 H LYS A 478 -15.225 -5.350 -3.496 1.00 14.24 H new ATOM 0 HA LYS A 478 -14.155 -6.239 -1.818 1.00 64.43 H new ATOM 0 HB2 LYS A 478 -16.101 -5.632 -0.332 1.00 21.13 H new ATOM 0 HB3 LYS A 478 -16.801 -7.211 -0.625 1.00 21.13 H new ATOM 0 HG2 LYS A 478 -14.636 -8.210 0.377 1.00 31.44 H new ATOM 0 HG3 LYS A 478 -14.227 -6.583 0.884 1.00 31.44 H new ATOM 0 HD2 LYS A 478 -15.244 -7.500 2.807 1.00 61.32 H new ATOM 0 HD3 LYS A 478 -16.535 -6.553 2.093 1.00 61.32 H new ATOM 0 HE2 LYS A 478 -16.199 -9.576 1.762 1.00 32.34 H new ATOM 0 HE3 LYS A 478 -17.295 -8.809 2.895 1.00 32.34 H new ATOM 0 HZ1 LYS A 478 -18.710 -9.164 1.191 1.00 53.13 H new ATOM 0 HZ2 LYS A 478 -18.128 -7.652 0.684 1.00 53.13 H new ATOM 0 HZ3 LYS A 478 -17.508 -9.074 -0.005 1.00 53.13 H new ATOM 1595 N ASP A 479 -15.679 -8.876 -3.074 1.00 52.30 N ATOM 1596 CA ASP A 479 -15.531 -10.296 -3.442 1.00 13.51 C ATOM 1597 C ASP A 479 -14.796 -10.451 -4.799 1.00 65.15 C ATOM 1598 O ASP A 479 -15.342 -10.969 -5.777 1.00 33.51 O ATOM 1599 CB ASP A 479 -16.930 -10.955 -3.441 1.00 60.25 C ATOM 1600 CG ASP A 479 -17.614 -10.869 -2.056 1.00 71.31 C ATOM 1601 OD1 ASP A 479 -18.218 -9.816 -1.742 1.00 44.53 O ATOM 1602 OD2 ASP A 479 -17.533 -11.837 -1.272 1.00 73.20 O ATOM 0 H ASP A 479 -16.502 -8.430 -3.480 1.00 52.30 H new ATOM 0 HA ASP A 479 -14.908 -10.809 -2.709 1.00 13.51 H new ATOM 0 HB2 ASP A 479 -17.560 -10.469 -4.186 1.00 60.25 H new ATOM 0 HB3 ASP A 479 -16.838 -12.001 -3.735 1.00 60.25 H new ATOM 1607 N LEU A 480 -13.538 -9.970 -4.842 1.00 43.32 N ATOM 1608 CA LEU A 480 -12.645 -10.113 -6.020 1.00 42.24 C ATOM 1609 C LEU A 480 -11.573 -11.194 -5.743 1.00 4.31 C ATOM 1610 O LEU A 480 -11.097 -11.310 -4.615 1.00 23.40 O ATOM 1611 CB LEU A 480 -11.949 -8.768 -6.389 1.00 44.13 C ATOM 1612 CG LEU A 480 -12.861 -7.531 -6.698 1.00 23.44 C ATOM 1613 CD1 LEU A 480 -14.027 -7.886 -7.645 1.00 12.01 C ATOM 1614 CD2 LEU A 480 -13.355 -6.846 -5.407 1.00 62.23 C ATOM 0 H LEU A 480 -13.108 -9.471 -4.064 1.00 43.32 H new ATOM 0 HA LEU A 480 -13.264 -10.413 -6.866 1.00 42.24 H new ATOM 0 HB2 LEU A 480 -11.286 -8.498 -5.567 1.00 44.13 H new ATOM 0 HB3 LEU A 480 -11.319 -8.945 -7.261 1.00 44.13 H new ATOM 0 HG LEU A 480 -12.240 -6.808 -7.227 1.00 23.44 H new ATOM 0 HD11 LEU A 480 -14.630 -6.997 -7.829 1.00 12.01 H new ATOM 0 HD12 LEU A 480 -13.629 -8.256 -8.590 1.00 12.01 H new ATOM 0 HD13 LEU A 480 -14.647 -8.656 -7.186 1.00 12.01 H new ATOM 0 HD21 LEU A 480 -13.984 -5.994 -5.665 1.00 62.23 H new ATOM 0 HD22 LEU A 480 -13.932 -7.557 -4.816 1.00 62.23 H new ATOM 0 HD23 LEU A 480 -12.499 -6.503 -4.827 1.00 62.23 H new ATOM 1626 N GLU A 481 -11.175 -11.949 -6.783 1.00 45.42 N ATOM 1627 CA GLU A 481 -10.217 -13.079 -6.646 1.00 72.31 C ATOM 1628 C GLU A 481 -8.779 -12.588 -6.301 1.00 13.24 C ATOM 1629 O GLU A 481 -8.138 -13.134 -5.397 1.00 72.22 O ATOM 1630 CB GLU A 481 -10.200 -13.921 -7.947 1.00 60.12 C ATOM 1631 CG GLU A 481 -9.315 -15.187 -7.891 1.00 45.31 C ATOM 1632 CD GLU A 481 -9.192 -15.891 -9.254 1.00 44.32 C ATOM 1633 OE1 GLU A 481 -8.342 -15.469 -10.066 1.00 21.11 O ATOM 1634 OE2 GLU A 481 -9.948 -16.853 -9.522 1.00 73.14 O ATOM 0 H GLU A 481 -11.501 -11.801 -7.738 1.00 45.42 H new ATOM 0 HA GLU A 481 -10.556 -13.700 -5.816 1.00 72.31 H new ATOM 0 HB2 GLU A 481 -11.221 -14.220 -8.183 1.00 60.12 H new ATOM 0 HB3 GLU A 481 -9.855 -13.290 -8.766 1.00 60.12 H new ATOM 0 HG2 GLU A 481 -8.321 -14.914 -7.537 1.00 45.31 H new ATOM 0 HG3 GLU A 481 -9.732 -15.884 -7.164 1.00 45.31 H new ATOM 1641 N SER A 482 -8.284 -11.555 -7.029 1.00 13.44 N ATOM 1642 CA SER A 482 -6.966 -10.910 -6.728 1.00 12.24 C ATOM 1643 C SER A 482 -6.929 -10.319 -5.296 1.00 65.44 C ATOM 1644 O SER A 482 -5.869 -10.261 -4.667 1.00 73.24 O ATOM 1645 CB SER A 482 -6.642 -9.789 -7.748 1.00 42.15 C ATOM 1646 OG SER A 482 -6.532 -10.289 -9.070 1.00 71.41 O ATOM 0 H SER A 482 -8.771 -11.147 -7.827 1.00 13.44 H new ATOM 0 HA SER A 482 -6.213 -11.695 -6.804 1.00 12.24 H new ATOM 0 HB2 SER A 482 -7.423 -9.029 -7.712 1.00 42.15 H new ATOM 0 HB3 SER A 482 -5.709 -9.301 -7.466 1.00 42.15 H new ATOM 0 HG SER A 482 -6.329 -9.552 -9.683 1.00 71.41 H new ATOM 1652 N LEU A 483 -8.106 -9.890 -4.803 1.00 21.11 N ATOM 1653 CA LEU A 483 -8.267 -9.329 -3.442 1.00 4.44 C ATOM 1654 C LEU A 483 -8.242 -10.432 -2.362 1.00 71.21 C ATOM 1655 O LEU A 483 -7.693 -10.226 -1.285 1.00 34.50 O ATOM 1656 CB LEU A 483 -9.583 -8.521 -3.353 1.00 1.21 C ATOM 1657 CG LEU A 483 -9.887 -7.816 -1.995 1.00 12.43 C ATOM 1658 CD1 LEU A 483 -8.757 -6.848 -1.568 1.00 22.11 C ATOM 1659 CD2 LEU A 483 -11.244 -7.096 -2.058 1.00 23.11 C ATOM 0 H LEU A 483 -8.975 -9.921 -5.336 1.00 21.11 H new ATOM 0 HA LEU A 483 -7.423 -8.665 -3.254 1.00 4.44 H new ATOM 0 HB2 LEU A 483 -9.568 -7.761 -4.134 1.00 1.21 H new ATOM 0 HB3 LEU A 483 -10.410 -9.194 -3.579 1.00 1.21 H new ATOM 0 HG LEU A 483 -9.938 -8.590 -1.229 1.00 12.43 H new ATOM 0 HD11 LEU A 483 -9.017 -6.383 -0.617 1.00 22.11 H new ATOM 0 HD12 LEU A 483 -7.825 -7.403 -1.458 1.00 22.11 H new ATOM 0 HD13 LEU A 483 -8.633 -6.076 -2.328 1.00 22.11 H new ATOM 0 HD21 LEU A 483 -11.442 -6.609 -1.103 1.00 23.11 H new ATOM 0 HD22 LEU A 483 -11.222 -6.347 -2.850 1.00 23.11 H new ATOM 0 HD23 LEU A 483 -12.031 -7.821 -2.266 1.00 23.11 H new ATOM 1671 N LYS A 484 -8.857 -11.592 -2.658 1.00 23.15 N ATOM 1672 CA LYS A 484 -8.847 -12.767 -1.746 1.00 34.12 C ATOM 1673 C LYS A 484 -7.438 -13.384 -1.648 1.00 33.54 C ATOM 1674 O LYS A 484 -7.036 -13.887 -0.587 1.00 73.25 O ATOM 1675 CB LYS A 484 -9.895 -13.815 -2.197 1.00 33.42 C ATOM 1676 CG LYS A 484 -11.358 -13.320 -2.082 1.00 30.23 C ATOM 1677 CD LYS A 484 -12.383 -14.357 -2.590 1.00 41.14 C ATOM 1678 CE LYS A 484 -13.839 -13.864 -2.485 1.00 41.33 C ATOM 1679 NZ LYS A 484 -14.795 -14.874 -3.003 1.00 42.31 N ATOM 0 H LYS A 484 -9.372 -11.748 -3.525 1.00 23.15 H new ATOM 0 HA LYS A 484 -9.121 -12.426 -0.748 1.00 34.12 H new ATOM 0 HB2 LYS A 484 -9.695 -14.094 -3.232 1.00 33.42 H new ATOM 0 HB3 LYS A 484 -9.777 -14.716 -1.595 1.00 33.42 H new ATOM 0 HG2 LYS A 484 -11.575 -13.081 -1.041 1.00 30.23 H new ATOM 0 HG3 LYS A 484 -11.470 -12.397 -2.651 1.00 30.23 H new ATOM 0 HD2 LYS A 484 -12.161 -14.600 -3.629 1.00 41.14 H new ATOM 0 HD3 LYS A 484 -12.275 -15.278 -2.017 1.00 41.14 H new ATOM 0 HE2 LYS A 484 -14.074 -13.639 -1.445 1.00 41.33 H new ATOM 0 HE3 LYS A 484 -13.951 -12.935 -3.045 1.00 41.33 H new ATOM 0 HZ1 LYS A 484 -15.765 -14.510 -2.917 1.00 42.31 H new ATOM 0 HZ2 LYS A 484 -14.586 -15.069 -4.003 1.00 42.31 H new ATOM 0 HZ3 LYS A 484 -14.705 -15.752 -2.452 1.00 42.31 H new ATOM 1693 N GLY A 485 -6.697 -13.327 -2.767 1.00 65.53 N ATOM 1694 CA GLY A 485 -5.260 -13.612 -2.770 1.00 25.12 C ATOM 1695 C GLY A 485 -4.472 -12.614 -1.913 1.00 71.32 C ATOM 1696 O GLY A 485 -3.631 -13.015 -1.116 1.00 33.32 O ATOM 0 H GLY A 485 -7.075 -13.085 -3.683 1.00 65.53 H new ATOM 0 HA2 GLY A 485 -5.090 -14.622 -2.397 1.00 25.12 H new ATOM 0 HA3 GLY A 485 -4.887 -13.583 -3.794 1.00 25.12 H new ATOM 1700 N LEU A 486 -4.802 -11.310 -2.053 1.00 53.41 N ATOM 1701 CA LEU A 486 -4.155 -10.204 -1.294 1.00 31.13 C ATOM 1702 C LEU A 486 -4.442 -10.304 0.233 1.00 33.33 C ATOM 1703 O LEU A 486 -3.590 -9.949 1.050 1.00 52.31 O ATOM 1704 CB LEU A 486 -4.626 -8.828 -1.857 1.00 64.31 C ATOM 1705 CG LEU A 486 -3.893 -7.558 -1.307 1.00 24.45 C ATOM 1706 CD1 LEU A 486 -2.370 -7.628 -1.568 1.00 21.32 C ATOM 1707 CD2 LEU A 486 -4.506 -6.260 -1.895 1.00 64.03 C ATOM 0 H LEU A 486 -5.526 -10.989 -2.696 1.00 53.41 H new ATOM 0 HA LEU A 486 -3.076 -10.292 -1.423 1.00 31.13 H new ATOM 0 HB2 LEU A 486 -4.510 -8.846 -2.941 1.00 64.31 H new ATOM 0 HB3 LEU A 486 -5.691 -8.722 -1.652 1.00 64.31 H new ATOM 0 HG LEU A 486 -4.039 -7.535 -0.227 1.00 24.45 H new ATOM 0 HD11 LEU A 486 -1.892 -6.731 -1.174 1.00 21.32 H new ATOM 0 HD12 LEU A 486 -1.956 -8.507 -1.074 1.00 21.32 H new ATOM 0 HD13 LEU A 486 -2.187 -7.695 -2.640 1.00 21.32 H new ATOM 0 HD21 LEU A 486 -3.977 -5.395 -1.496 1.00 64.03 H new ATOM 0 HD22 LEU A 486 -4.412 -6.273 -2.981 1.00 64.03 H new ATOM 0 HD23 LEU A 486 -5.560 -6.199 -1.622 1.00 64.03 H new ATOM 1719 N TYR A 487 -5.642 -10.807 0.602 1.00 62.25 N ATOM 1720 CA TYR A 487 -6.009 -11.103 2.017 1.00 3.51 C ATOM 1721 C TYR A 487 -5.036 -12.144 2.643 1.00 61.14 C ATOM 1722 O TYR A 487 -4.584 -11.983 3.785 1.00 72.23 O ATOM 1723 CB TYR A 487 -7.485 -11.616 2.124 1.00 42.12 C ATOM 1724 CG TYR A 487 -8.589 -10.548 1.936 1.00 42.15 C ATOM 1725 CD1 TYR A 487 -8.527 -9.332 2.606 1.00 73.13 C ATOM 1726 CD2 TYR A 487 -9.702 -10.767 1.112 1.00 75.20 C ATOM 1727 CE1 TYR A 487 -9.521 -8.382 2.465 1.00 32.41 C ATOM 1728 CE2 TYR A 487 -10.696 -9.817 0.973 1.00 13.04 C ATOM 1729 CZ TYR A 487 -10.599 -8.625 1.649 1.00 14.31 C ATOM 1730 OH TYR A 487 -11.583 -7.668 1.509 1.00 72.51 O ATOM 0 H TYR A 487 -6.384 -11.020 -0.065 1.00 62.25 H new ATOM 0 HA TYR A 487 -5.926 -10.171 2.576 1.00 3.51 H new ATOM 0 HB2 TYR A 487 -7.632 -12.397 1.378 1.00 42.12 H new ATOM 0 HB3 TYR A 487 -7.618 -12.079 3.102 1.00 42.12 H new ATOM 0 HD1 TYR A 487 -7.685 -9.125 3.250 1.00 73.13 H new ATOM 0 HD2 TYR A 487 -9.784 -11.700 0.574 1.00 75.20 H new ATOM 0 HE1 TYR A 487 -9.450 -7.445 2.998 1.00 32.41 H new ATOM 0 HE2 TYR A 487 -11.546 -10.011 0.335 1.00 13.04 H new ATOM 0 HH TYR A 487 -12.274 -7.996 0.896 1.00 72.51 H new ATOM 1740 N ARG A 488 -4.724 -13.204 1.869 1.00 44.51 N ATOM 1741 CA ARG A 488 -3.753 -14.252 2.273 1.00 64.10 C ATOM 1742 C ARG A 488 -2.310 -13.686 2.348 1.00 5.15 C ATOM 1743 O ARG A 488 -1.602 -13.924 3.324 1.00 54.41 O ATOM 1744 CB ARG A 488 -3.811 -15.442 1.277 1.00 32.44 C ATOM 1745 CG ARG A 488 -2.821 -16.592 1.589 1.00 44.50 C ATOM 1746 CD ARG A 488 -2.879 -17.736 0.559 1.00 32.43 C ATOM 1747 NE ARG A 488 -1.871 -18.778 0.834 1.00 5.20 N ATOM 1748 CZ ARG A 488 -1.502 -19.733 0.004 1.00 10.44 C ATOM 1749 NH1 ARG A 488 -2.047 -19.873 -1.167 1.00 63.34 N ATOM 1750 NH2 ARG A 488 -0.581 -20.562 0.358 1.00 42.30 N ATOM 0 H ARG A 488 -5.134 -13.361 0.949 1.00 44.51 H new ATOM 0 HA ARG A 488 -4.027 -14.602 3.268 1.00 64.10 H new ATOM 0 HB2 ARG A 488 -4.824 -15.844 1.270 1.00 32.44 H new ATOM 0 HB3 ARG A 488 -3.609 -15.069 0.273 1.00 32.44 H new ATOM 0 HG2 ARG A 488 -1.808 -16.192 1.622 1.00 44.50 H new ATOM 0 HG3 ARG A 488 -3.038 -16.992 2.580 1.00 44.50 H new ATOM 0 HD2 ARG A 488 -3.874 -18.182 0.568 1.00 32.43 H new ATOM 0 HD3 ARG A 488 -2.720 -17.332 -0.441 1.00 32.43 H new ATOM 0 HE ARG A 488 -1.419 -18.757 1.748 1.00 5.20 H new ATOM 0 HH11 ARG A 488 -2.783 -19.233 -1.467 1.00 63.34 H new ATOM 0 HH12 ARG A 488 -1.739 -20.623 -1.786 1.00 63.34 H new ATOM 0 HH21 ARG A 488 -0.143 -20.476 1.275 1.00 42.30 H new ATOM 0 HH22 ARG A 488 -0.290 -21.304 -0.279 1.00 42.30 H new ATOM 1764 N ILE A 489 -1.908 -12.925 1.312 1.00 2.04 N ATOM 1765 CA ILE A 489 -0.558 -12.299 1.204 1.00 64.24 C ATOM 1766 C ILE A 489 -0.236 -11.427 2.445 1.00 30.12 C ATOM 1767 O ILE A 489 0.788 -11.614 3.110 1.00 52.23 O ATOM 1768 CB ILE A 489 -0.482 -11.426 -0.112 1.00 0.51 C ATOM 1769 CG1 ILE A 489 -0.549 -12.331 -1.390 1.00 43.45 C ATOM 1770 CG2 ILE A 489 0.763 -10.508 -0.140 1.00 3.15 C ATOM 1771 CD1 ILE A 489 -0.789 -11.578 -2.696 1.00 41.52 C ATOM 0 H ILE A 489 -2.510 -12.720 0.515 1.00 2.04 H new ATOM 0 HA ILE A 489 0.185 -13.095 1.158 1.00 64.24 H new ATOM 0 HB ILE A 489 -1.354 -10.771 -0.111 1.00 0.51 H new ATOM 0 HG12 ILE A 489 0.385 -12.887 -1.474 1.00 43.45 H new ATOM 0 HG13 ILE A 489 -1.345 -13.064 -1.258 1.00 43.45 H new ATOM 0 HG21 ILE A 489 0.768 -9.930 -1.064 1.00 3.15 H new ATOM 0 HG22 ILE A 489 0.734 -9.829 0.712 1.00 3.15 H new ATOM 0 HG23 ILE A 489 1.665 -11.117 -0.088 1.00 3.15 H new ATOM 0 HD11 ILE A 489 -0.820 -12.286 -3.524 1.00 41.52 H new ATOM 0 HD12 ILE A 489 -1.738 -11.044 -2.639 1.00 41.52 H new ATOM 0 HD13 ILE A 489 0.019 -10.865 -2.859 1.00 41.52 H new ATOM 1783 N MET A 490 -1.152 -10.507 2.760 1.00 60.34 N ATOM 1784 CA MET A 490 -1.050 -9.629 3.943 1.00 15.24 C ATOM 1785 C MET A 490 -1.138 -10.447 5.263 1.00 5.21 C ATOM 1786 O MET A 490 -0.542 -10.067 6.274 1.00 34.41 O ATOM 1787 CB MET A 490 -2.163 -8.562 3.873 1.00 44.44 C ATOM 1788 CG MET A 490 -2.035 -7.584 2.690 1.00 72.14 C ATOM 1789 SD MET A 490 -0.649 -6.441 2.880 1.00 41.00 S ATOM 1790 CE MET A 490 -1.007 -5.213 1.618 1.00 23.11 C ATOM 0 H MET A 490 -1.991 -10.345 2.203 1.00 60.34 H new ATOM 0 HA MET A 490 -0.078 -9.136 3.940 1.00 15.24 H new ATOM 0 HB2 MET A 490 -3.128 -9.065 3.810 1.00 44.44 H new ATOM 0 HB3 MET A 490 -2.161 -7.992 4.802 1.00 44.44 H new ATOM 0 HG2 MET A 490 -1.910 -8.150 1.767 1.00 72.14 H new ATOM 0 HG3 MET A 490 -2.960 -7.015 2.592 1.00 72.14 H new ATOM 0 HE1 MET A 490 -0.222 -4.457 1.613 1.00 23.11 H new ATOM 0 HE2 MET A 490 -1.052 -5.697 0.642 1.00 23.11 H new ATOM 0 HE3 MET A 490 -1.965 -4.739 1.833 1.00 23.11 H new ATOM 1800 N GLY A 491 -1.872 -11.584 5.217 1.00 11.31 N ATOM 1801 CA GLY A 491 -1.946 -12.536 6.339 1.00 1.01 C ATOM 1802 C GLY A 491 -0.625 -13.289 6.609 1.00 55.14 C ATOM 1803 O GLY A 491 -0.389 -13.752 7.724 1.00 50.01 O ATOM 0 H GLY A 491 -2.424 -11.861 4.405 1.00 11.31 H new ATOM 0 HA2 GLY A 491 -2.237 -11.997 7.241 1.00 1.01 H new ATOM 0 HA3 GLY A 491 -2.732 -13.263 6.135 1.00 1.01 H new ATOM 1807 N ASN A 492 0.235 -13.420 5.573 1.00 22.25 N ATOM 1808 CA ASN A 492 1.608 -13.991 5.713 1.00 35.32 C ATOM 1809 C ASN A 492 2.649 -12.922 6.159 1.00 52.53 C ATOM 1810 O ASN A 492 3.858 -13.192 6.170 1.00 74.50 O ATOM 1811 CB ASN A 492 2.060 -14.665 4.385 1.00 33.42 C ATOM 1812 CG ASN A 492 1.369 -16.011 4.133 1.00 53.45 C ATOM 1813 OD1 ASN A 492 1.831 -17.053 4.587 1.00 43.30 O ATOM 1814 ND2 ASN A 492 0.273 -16.015 3.403 1.00 73.10 N ATOM 0 H ASN A 492 0.006 -13.137 4.620 1.00 22.25 H new ATOM 0 HA ASN A 492 1.561 -14.746 6.498 1.00 35.32 H new ATOM 0 HB2 ASN A 492 1.850 -13.993 3.553 1.00 33.42 H new ATOM 0 HB3 ASN A 492 3.139 -14.815 4.409 1.00 33.42 H new ATOM 0 HD21 ASN A 492 -0.206 -16.894 3.207 1.00 73.10 H new ATOM 0 HD22 ASN A 492 -0.097 -15.139 3.034 1.00 73.10 H new ATOM 1821 N GLY A 493 2.168 -11.720 6.528 1.00 2.21 N ATOM 1822 CA GLY A 493 3.026 -10.651 7.056 1.00 40.01 C ATOM 1823 C GLY A 493 3.716 -9.826 5.972 1.00 22.31 C ATOM 1824 O GLY A 493 4.932 -9.623 6.009 1.00 23.13 O ATOM 0 H GLY A 493 1.182 -11.467 6.468 1.00 2.21 H new ATOM 0 HA2 GLY A 493 2.424 -9.988 7.677 1.00 40.01 H new ATOM 0 HA3 GLY A 493 3.785 -11.092 7.703 1.00 40.01 H new ATOM 1828 N PHE A 494 2.935 -9.360 4.988 1.00 14.32 N ATOM 1829 CA PHE A 494 3.422 -8.449 3.924 1.00 34.05 C ATOM 1830 C PHE A 494 2.742 -7.068 4.015 1.00 3.31 C ATOM 1831 O PHE A 494 1.825 -6.853 4.810 1.00 54.24 O ATOM 1832 CB PHE A 494 3.195 -9.072 2.513 1.00 34.03 C ATOM 1833 CG PHE A 494 4.128 -10.236 2.176 1.00 12.44 C ATOM 1834 CD1 PHE A 494 3.853 -11.530 2.612 1.00 20.42 C ATOM 1835 CD2 PHE A 494 5.280 -10.030 1.417 1.00 31.42 C ATOM 1836 CE1 PHE A 494 4.697 -12.578 2.304 1.00 41.14 C ATOM 1837 CE2 PHE A 494 6.126 -11.077 1.112 1.00 4.22 C ATOM 1838 CZ PHE A 494 5.834 -12.352 1.555 1.00 0.43 C ATOM 0 H PHE A 494 1.947 -9.599 4.900 1.00 14.32 H new ATOM 0 HA PHE A 494 4.493 -8.311 4.074 1.00 34.05 H new ATOM 0 HB2 PHE A 494 2.164 -9.418 2.444 1.00 34.03 H new ATOM 0 HB3 PHE A 494 3.321 -8.293 1.761 1.00 34.03 H new ATOM 0 HD1 PHE A 494 2.966 -11.716 3.200 1.00 20.42 H new ATOM 0 HD2 PHE A 494 5.513 -9.037 1.063 1.00 31.42 H new ATOM 0 HE1 PHE A 494 4.468 -13.575 2.649 1.00 41.14 H new ATOM 0 HE2 PHE A 494 7.016 -10.899 0.527 1.00 4.22 H new ATOM 0 HZ PHE A 494 6.495 -13.172 1.315 1.00 0.43 H new ATOM 1848 N ALA A 495 3.234 -6.147 3.184 1.00 65.50 N ATOM 1849 CA ALA A 495 2.715 -4.779 3.043 1.00 33.11 C ATOM 1850 C ALA A 495 2.853 -4.329 1.575 1.00 33.11 C ATOM 1851 O ALA A 495 3.562 -4.972 0.780 1.00 2.42 O ATOM 1852 CB ALA A 495 3.467 -3.835 3.982 1.00 15.25 C ATOM 0 H ALA A 495 4.028 -6.335 2.571 1.00 65.50 H new ATOM 0 HA ALA A 495 1.660 -4.755 3.317 1.00 33.11 H new ATOM 0 HB1 ALA A 495 3.076 -2.824 3.871 1.00 15.25 H new ATOM 0 HB2 ALA A 495 3.334 -4.164 5.012 1.00 15.25 H new ATOM 0 HB3 ALA A 495 4.528 -3.843 3.733 1.00 15.25 H new ATOM 1858 N GLY A 496 2.203 -3.214 1.226 1.00 52.10 N ATOM 1859 CA GLY A 496 2.133 -2.752 -0.164 1.00 24.23 C ATOM 1860 C GLY A 496 2.633 -1.322 -0.357 1.00 70.44 C ATOM 1861 O GLY A 496 1.913 -0.371 -0.071 1.00 31.35 O ATOM 0 H GLY A 496 1.716 -2.612 1.890 1.00 52.10 H new ATOM 0 HA2 GLY A 496 2.721 -3.422 -0.791 1.00 24.23 H new ATOM 0 HA3 GLY A 496 1.101 -2.817 -0.509 1.00 24.23 H new ATOM 1865 N CYS A 497 3.863 -1.168 -0.872 1.00 5.43 N ATOM 1866 CA CYS A 497 4.444 0.164 -1.160 1.00 41.31 C ATOM 1867 C CYS A 497 3.877 0.718 -2.486 1.00 71.03 C ATOM 1868 O CYS A 497 4.355 0.384 -3.576 1.00 14.11 O ATOM 1869 CB CYS A 497 5.986 0.104 -1.211 1.00 33.13 C ATOM 1870 SG CYS A 497 6.763 1.713 -1.451 1.00 63.14 S ATOM 0 H CYS A 497 4.480 -1.948 -1.100 1.00 5.43 H new ATOM 0 HA CYS A 497 4.166 0.838 -0.350 1.00 41.31 H new ATOM 0 HB2 CYS A 497 6.355 -0.334 -0.284 1.00 33.13 H new ATOM 0 HB3 CYS A 497 6.289 -0.561 -2.020 1.00 33.13 H new ATOM 0 HG CYS A 497 7.463 1.698 -2.546 1.00 63.14 H new ATOM 1876 N VAL A 498 2.820 1.532 -2.372 1.00 55.35 N ATOM 1877 CA VAL A 498 2.111 2.115 -3.523 1.00 23.31 C ATOM 1878 C VAL A 498 2.852 3.368 -4.062 1.00 61.22 C ATOM 1879 O VAL A 498 2.769 4.449 -3.477 1.00 2.02 O ATOM 1880 CB VAL A 498 0.629 2.474 -3.135 1.00 43.21 C ATOM 1881 CG1 VAL A 498 -0.140 3.113 -4.313 1.00 64.45 C ATOM 1882 CG2 VAL A 498 -0.129 1.235 -2.591 1.00 32.12 C ATOM 0 H VAL A 498 2.428 1.808 -1.472 1.00 55.35 H new ATOM 0 HA VAL A 498 2.091 1.369 -4.318 1.00 23.31 H new ATOM 0 HB VAL A 498 0.683 3.216 -2.339 1.00 43.21 H new ATOM 0 HG11 VAL A 498 -1.158 3.344 -4.000 1.00 64.45 H new ATOM 0 HG12 VAL A 498 0.362 4.030 -4.621 1.00 64.45 H new ATOM 0 HG13 VAL A 498 -0.167 2.416 -5.150 1.00 64.45 H new ATOM 0 HG21 VAL A 498 -1.150 1.517 -2.332 1.00 32.12 H new ATOM 0 HG22 VAL A 498 -0.150 0.457 -3.354 1.00 32.12 H new ATOM 0 HG23 VAL A 498 0.379 0.858 -1.703 1.00 32.12 H new ATOM 1892 N HIS A 499 3.599 3.186 -5.165 1.00 72.33 N ATOM 1893 CA HIS A 499 4.307 4.283 -5.865 1.00 32.54 C ATOM 1894 C HIS A 499 3.407 4.933 -6.956 1.00 31.31 C ATOM 1895 O HIS A 499 2.736 4.233 -7.731 1.00 71.10 O ATOM 1896 CB HIS A 499 5.617 3.761 -6.513 1.00 72.10 C ATOM 1897 CG HIS A 499 6.605 3.163 -5.535 1.00 32.01 C ATOM 1898 ND1 HIS A 499 7.512 3.945 -4.854 1.00 72.51 N ATOM 1899 CD2 HIS A 499 6.795 1.868 -5.179 1.00 20.43 C ATOM 1900 CE1 HIS A 499 8.224 3.121 -4.112 1.00 71.54 C ATOM 1901 NE2 HIS A 499 7.829 1.852 -4.277 1.00 20.23 N ATOM 0 H HIS A 499 3.732 2.273 -5.601 1.00 72.33 H new ATOM 0 HA HIS A 499 4.551 5.042 -5.122 1.00 32.54 H new ATOM 0 HB2 HIS A 499 5.363 3.009 -7.260 1.00 72.10 H new ATOM 0 HB3 HIS A 499 6.100 4.584 -7.040 1.00 72.10 H new ATOM 0 HD1 HIS A 499 7.612 4.958 -4.912 1.00 72.51 H new ATOM 0 HD2 HIS A 499 6.239 1.014 -5.537 1.00 20.43 H new ATOM 0 HE1 HIS A 499 9.024 3.430 -3.455 1.00 71.54 H new ATOM 1909 N PHE A 500 3.427 6.274 -7.017 1.00 12.40 N ATOM 1910 CA PHE A 500 2.667 7.078 -8.006 1.00 40.42 C ATOM 1911 C PHE A 500 3.610 7.495 -9.171 1.00 34.40 C ATOM 1912 O PHE A 500 4.743 7.929 -8.909 1.00 13.51 O ATOM 1913 CB PHE A 500 2.073 8.365 -7.348 1.00 63.21 C ATOM 1914 CG PHE A 500 0.990 8.157 -6.277 1.00 31.01 C ATOM 1915 CD1 PHE A 500 1.150 7.240 -5.231 1.00 12.33 C ATOM 1916 CD2 PHE A 500 -0.181 8.917 -6.298 1.00 21.33 C ATOM 1917 CE1 PHE A 500 0.182 7.091 -4.259 1.00 3.21 C ATOM 1918 CE2 PHE A 500 -1.147 8.758 -5.326 1.00 34.14 C ATOM 1919 CZ PHE A 500 -0.967 7.848 -4.308 1.00 61.41 C ATOM 0 H PHE A 500 3.977 6.845 -6.375 1.00 12.40 H new ATOM 0 HA PHE A 500 1.847 6.467 -8.382 1.00 40.42 H new ATOM 0 HB2 PHE A 500 2.892 8.926 -6.899 1.00 63.21 H new ATOM 0 HB3 PHE A 500 1.655 8.989 -8.138 1.00 63.21 H new ATOM 0 HD1 PHE A 500 2.046 6.639 -5.184 1.00 12.33 H new ATOM 0 HD2 PHE A 500 -0.333 9.640 -7.086 1.00 21.33 H new ATOM 0 HE1 PHE A 500 0.326 6.380 -3.459 1.00 3.21 H new ATOM 0 HE2 PHE A 500 -2.049 9.350 -5.364 1.00 34.14 H new ATOM 0 HZ PHE A 500 -1.726 7.728 -3.549 1.00 61.41 H new ATOM 1929 N PRO A 501 3.175 7.347 -10.468 1.00 1.44 N ATOM 1930 CA PRO A 501 3.939 7.865 -11.644 1.00 62.21 C ATOM 1931 C PRO A 501 4.291 9.381 -11.534 1.00 14.42 C ATOM 1932 O PRO A 501 5.470 9.761 -11.486 1.00 23.14 O ATOM 1933 CB PRO A 501 2.978 7.594 -12.834 1.00 74.35 C ATOM 1934 CG PRO A 501 2.140 6.435 -12.383 1.00 34.12 C ATOM 1935 CD PRO A 501 1.950 6.620 -10.892 1.00 21.41 C ATOM 0 HA PRO A 501 4.911 7.381 -11.742 1.00 62.21 H new ATOM 0 HB2 PRO A 501 2.363 8.467 -13.054 1.00 74.35 H new ATOM 0 HB3 PRO A 501 3.530 7.355 -13.743 1.00 74.35 H new ATOM 0 HG2 PRO A 501 1.181 6.421 -12.901 1.00 34.12 H new ATOM 0 HG3 PRO A 501 2.633 5.488 -12.600 1.00 34.12 H new ATOM 0 HD2 PRO A 501 1.049 7.192 -10.671 1.00 21.41 H new ATOM 0 HD3 PRO A 501 1.854 5.663 -10.379 1.00 21.41 H new ATOM 2024 N VAL A 508 2.089 13.583 -1.968 1.00 54.44 N ATOM 2025 CA VAL A 508 1.512 12.209 -1.965 1.00 14.43 C ATOM 2026 C VAL A 508 1.965 11.455 -3.251 1.00 2.22 C ATOM 2027 O VAL A 508 1.191 11.291 -4.200 1.00 35.00 O ATOM 2028 CB VAL A 508 -0.079 12.194 -1.886 1.00 73.50 C ATOM 2029 CG1 VAL A 508 -0.628 10.740 -1.848 1.00 65.33 C ATOM 2030 CG2 VAL A 508 -0.625 13.012 -0.689 1.00 25.14 C ATOM 0 HA VAL A 508 1.882 11.714 -1.067 1.00 14.43 H new ATOM 0 HB VAL A 508 -0.436 12.678 -2.795 1.00 73.50 H new ATOM 0 HG11 VAL A 508 -1.716 10.763 -1.794 1.00 65.33 H new ATOM 0 HG12 VAL A 508 -0.321 10.211 -2.750 1.00 65.33 H new ATOM 0 HG13 VAL A 508 -0.232 10.224 -0.973 1.00 65.33 H new ATOM 0 HG21 VAL A 508 -1.714 12.967 -0.684 1.00 25.14 H new ATOM 0 HG22 VAL A 508 -0.241 12.595 0.242 1.00 25.14 H new ATOM 0 HG23 VAL A 508 -0.305 14.050 -0.781 1.00 25.14 H new ATOM 2040 N ARG A 509 3.246 11.055 -3.312 1.00 33.13 N ATOM 2041 CA ARG A 509 3.781 10.256 -4.459 1.00 13.40 C ATOM 2042 C ARG A 509 4.069 8.792 -4.045 1.00 51.12 C ATOM 2043 O ARG A 509 4.380 7.948 -4.883 1.00 45.21 O ATOM 2044 CB ARG A 509 5.047 10.923 -5.075 1.00 13.34 C ATOM 2045 CG ARG A 509 5.467 10.338 -6.446 1.00 14.12 C ATOM 2046 CD ARG A 509 6.746 10.957 -7.021 1.00 13.44 C ATOM 2047 NE ARG A 509 7.016 10.442 -8.379 1.00 60.11 N ATOM 2048 CZ ARG A 509 8.201 10.301 -8.935 1.00 63.03 C ATOM 2049 NH1 ARG A 509 9.298 10.562 -8.289 1.00 12.12 N ATOM 2050 NH2 ARG A 509 8.277 9.877 -10.148 1.00 2.54 N ATOM 0 H ARG A 509 3.937 11.264 -2.592 1.00 33.13 H new ATOM 0 HA ARG A 509 3.009 10.236 -5.228 1.00 13.40 H new ATOM 0 HB2 ARG A 509 4.862 11.991 -5.189 1.00 13.34 H new ATOM 0 HB3 ARG A 509 5.877 10.816 -4.377 1.00 13.34 H new ATOM 0 HG2 ARG A 509 5.611 9.263 -6.342 1.00 14.12 H new ATOM 0 HG3 ARG A 509 4.653 10.484 -7.157 1.00 14.12 H new ATOM 0 HD2 ARG A 509 6.648 12.042 -7.052 1.00 13.44 H new ATOM 0 HD3 ARG A 509 7.589 10.732 -6.368 1.00 13.44 H new ATOM 0 HE ARG A 509 6.208 10.170 -8.939 1.00 60.11 H new ATOM 0 HH11 ARG A 509 9.256 10.886 -7.323 1.00 12.12 H new ATOM 0 HH12 ARG A 509 10.201 10.443 -8.748 1.00 12.12 H new ATOM 0 HH21 ARG A 509 7.426 9.655 -10.665 1.00 2.54 H new ATOM 0 HH22 ARG A 509 9.188 9.763 -10.592 1.00 2.54 H new ATOM 2064 N VAL A 510 3.944 8.490 -2.752 1.00 74.03 N ATOM 2065 CA VAL A 510 4.076 7.111 -2.242 1.00 13.42 C ATOM 2066 C VAL A 510 3.316 6.957 -0.904 1.00 5.32 C ATOM 2067 O VAL A 510 3.202 7.920 -0.137 1.00 54.42 O ATOM 2068 CB VAL A 510 5.593 6.680 -2.109 1.00 24.41 C ATOM 2069 CG1 VAL A 510 6.360 7.547 -1.084 1.00 1.15 C ATOM 2070 CG2 VAL A 510 5.734 5.162 -1.819 1.00 31.32 C ATOM 0 H VAL A 510 3.750 9.183 -2.029 1.00 74.03 H new ATOM 0 HA VAL A 510 3.622 6.436 -2.967 1.00 13.42 H new ATOM 0 HB VAL A 510 6.062 6.863 -3.076 1.00 24.41 H new ATOM 0 HG11 VAL A 510 7.396 7.213 -1.028 1.00 1.15 H new ATOM 0 HG12 VAL A 510 6.332 8.591 -1.397 1.00 1.15 H new ATOM 0 HG13 VAL A 510 5.894 7.449 -0.104 1.00 1.15 H new ATOM 0 HG21 VAL A 510 6.790 4.904 -1.734 1.00 31.32 H new ATOM 0 HG22 VAL A 510 5.226 4.921 -0.885 1.00 31.32 H new ATOM 0 HG23 VAL A 510 5.286 4.593 -2.633 1.00 31.32 H new ATOM 2080 N LEU A 511 2.763 5.752 -0.660 1.00 24.12 N ATOM 2081 CA LEU A 511 2.051 5.413 0.594 1.00 61.34 C ATOM 2082 C LEU A 511 2.189 3.919 0.920 1.00 45.04 C ATOM 2083 O LEU A 511 2.631 3.125 0.081 1.00 31.00 O ATOM 2084 CB LEU A 511 0.552 5.862 0.521 1.00 45.43 C ATOM 2085 CG LEU A 511 -0.394 5.175 -0.539 1.00 62.31 C ATOM 2086 CD1 LEU A 511 -1.018 3.859 -0.017 1.00 30.11 C ATOM 2087 CD2 LEU A 511 -1.508 6.137 -1.015 1.00 2.31 C ATOM 0 H LEU A 511 2.796 4.982 -1.328 1.00 24.12 H new ATOM 0 HA LEU A 511 2.515 5.963 1.412 1.00 61.34 H new ATOM 0 HB2 LEU A 511 0.112 5.707 1.506 1.00 45.43 H new ATOM 0 HB3 LEU A 511 0.537 6.935 0.331 1.00 45.43 H new ATOM 0 HG LEU A 511 0.241 4.925 -1.389 1.00 62.31 H new ATOM 0 HD11 LEU A 511 -1.659 3.430 -0.787 1.00 30.11 H new ATOM 0 HD12 LEU A 511 -0.225 3.153 0.230 1.00 30.11 H new ATOM 0 HD13 LEU A 511 -1.610 4.066 0.875 1.00 30.11 H new ATOM 0 HD21 LEU A 511 -2.140 5.630 -1.744 1.00 2.31 H new ATOM 0 HD22 LEU A 511 -2.113 6.444 -0.162 1.00 2.31 H new ATOM 0 HD23 LEU A 511 -1.057 7.016 -1.475 1.00 2.31 H new ATOM 2099 N MET A 512 1.822 3.537 2.154 1.00 24.53 N ATOM 2100 CA MET A 512 1.785 2.125 2.571 1.00 22.41 C ATOM 2101 C MET A 512 0.346 1.618 2.674 1.00 42.01 C ATOM 2102 O MET A 512 -0.414 2.041 3.552 1.00 55.21 O ATOM 2103 CB MET A 512 2.540 1.896 3.918 1.00 23.14 C ATOM 2104 CG MET A 512 3.906 1.258 3.724 1.00 65.14 C ATOM 2105 SD MET A 512 3.801 -0.276 2.787 1.00 45.33 S ATOM 2106 CE MET A 512 5.529 -0.593 2.487 1.00 2.44 C ATOM 0 H MET A 512 1.545 4.192 2.885 1.00 24.53 H new ATOM 0 HA MET A 512 2.300 1.552 1.800 1.00 22.41 H new ATOM 0 HB2 MET A 512 2.659 2.851 4.430 1.00 23.14 H new ATOM 0 HB3 MET A 512 1.935 1.261 4.565 1.00 23.14 H new ATOM 0 HG2 MET A 512 4.563 1.956 3.205 1.00 65.14 H new ATOM 0 HG3 MET A 512 4.356 1.060 4.697 1.00 65.14 H new ATOM 0 HE1 MET A 512 5.646 -1.581 2.041 1.00 2.44 H new ATOM 0 HE2 MET A 512 5.925 0.162 1.807 1.00 2.44 H new ATOM 0 HE3 MET A 512 6.075 -0.554 3.430 1.00 2.44 H new ATOM 2116 N LEU A 513 -0.002 0.694 1.782 1.00 13.42 N ATOM 2117 CA LEU A 513 -1.223 -0.088 1.902 1.00 71.11 C ATOM 2118 C LEU A 513 -0.956 -1.233 2.898 1.00 44.21 C ATOM 2119 O LEU A 513 -0.143 -2.123 2.636 1.00 23.04 O ATOM 2120 CB LEU A 513 -1.656 -0.669 0.534 1.00 51.21 C ATOM 2121 CG LEU A 513 -2.966 -1.524 0.561 1.00 14.23 C ATOM 2122 CD1 LEU A 513 -4.192 -0.651 0.899 1.00 5.13 C ATOM 2123 CD2 LEU A 513 -3.173 -2.297 -0.756 1.00 74.22 C ATOM 0 H LEU A 513 0.555 0.469 0.958 1.00 13.42 H new ATOM 0 HA LEU A 513 -2.031 0.553 2.255 1.00 71.11 H new ATOM 0 HB2 LEU A 513 -1.793 0.155 -0.166 1.00 51.21 H new ATOM 0 HB3 LEU A 513 -0.846 -1.286 0.146 1.00 51.21 H new ATOM 0 HG LEU A 513 -2.855 -2.265 1.353 1.00 14.23 H new ATOM 0 HD11 LEU A 513 -5.088 -1.271 0.911 1.00 5.13 H new ATOM 0 HD12 LEU A 513 -4.054 -0.194 1.879 1.00 5.13 H new ATOM 0 HD13 LEU A 513 -4.301 0.130 0.146 1.00 5.13 H new ATOM 0 HD21 LEU A 513 -4.093 -2.878 -0.696 1.00 74.22 H new ATOM 0 HD22 LEU A 513 -3.242 -1.592 -1.585 1.00 74.22 H new ATOM 0 HD23 LEU A 513 -2.330 -2.968 -0.920 1.00 74.22 H new ATOM 2135 N LEU A 514 -1.625 -1.173 4.046 1.00 5.31 N ATOM 2136 CA LEU A 514 -1.532 -2.190 5.099 1.00 23.40 C ATOM 2137 C LEU A 514 -2.896 -2.877 5.255 1.00 40.13 C ATOM 2138 O LEU A 514 -3.893 -2.435 4.672 1.00 43.32 O ATOM 2139 CB LEU A 514 -1.075 -1.527 6.433 1.00 12.24 C ATOM 2140 CG LEU A 514 0.294 -0.769 6.384 1.00 23.14 C ATOM 2141 CD1 LEU A 514 0.653 -0.155 7.746 1.00 70.51 C ATOM 2142 CD2 LEU A 514 1.431 -1.684 5.888 1.00 5.24 C ATOM 0 H LEU A 514 -2.257 -0.407 4.278 1.00 5.31 H new ATOM 0 HA LEU A 514 -0.792 -2.944 4.830 1.00 23.40 H new ATOM 0 HB2 LEU A 514 -1.846 -0.825 6.751 1.00 12.24 H new ATOM 0 HB3 LEU A 514 -1.013 -2.300 7.199 1.00 12.24 H new ATOM 0 HG LEU A 514 0.178 0.045 5.669 1.00 23.14 H new ATOM 0 HD11 LEU A 514 1.610 0.362 7.671 1.00 70.51 H new ATOM 0 HD12 LEU A 514 -0.121 0.554 8.041 1.00 70.51 H new ATOM 0 HD13 LEU A 514 0.725 -0.945 8.494 1.00 70.51 H new ATOM 0 HD21 LEU A 514 2.366 -1.124 5.867 1.00 5.24 H new ATOM 0 HD22 LEU A 514 1.533 -2.535 6.561 1.00 5.24 H new ATOM 0 HD23 LEU A 514 1.199 -2.041 4.884 1.00 5.24 H new ATOM 2154 N TYR A 515 -2.946 -3.953 6.039 1.00 12.52 N ATOM 2155 CA TYR A 515 -4.193 -4.702 6.282 1.00 23.21 C ATOM 2156 C TYR A 515 -4.325 -5.107 7.764 1.00 23.23 C ATOM 2157 O TYR A 515 -3.382 -5.627 8.366 1.00 54.22 O ATOM 2158 CB TYR A 515 -4.232 -5.951 5.368 1.00 14.21 C ATOM 2159 CG TYR A 515 -5.470 -6.838 5.556 1.00 72.21 C ATOM 2160 CD1 TYR A 515 -6.746 -6.332 5.326 1.00 32.43 C ATOM 2161 CD2 TYR A 515 -5.362 -8.174 5.967 1.00 52.31 C ATOM 2162 CE1 TYR A 515 -7.867 -7.116 5.504 1.00 61.30 C ATOM 2163 CE2 TYR A 515 -6.482 -8.962 6.143 1.00 23.51 C ATOM 2164 CZ TYR A 515 -7.733 -8.428 5.913 1.00 70.32 C ATOM 2165 OH TYR A 515 -8.856 -9.213 6.091 1.00 5.41 O ATOM 0 H TYR A 515 -2.133 -4.334 6.524 1.00 12.52 H new ATOM 0 HA TYR A 515 -5.038 -4.056 6.045 1.00 23.21 H new ATOM 0 HB2 TYR A 515 -4.188 -5.626 4.328 1.00 14.21 H new ATOM 0 HB3 TYR A 515 -3.340 -6.550 5.554 1.00 14.21 H new ATOM 0 HD1 TYR A 515 -6.860 -5.308 5.003 1.00 32.43 H new ATOM 0 HD2 TYR A 515 -4.384 -8.595 6.149 1.00 52.31 H new ATOM 0 HE1 TYR A 515 -8.849 -6.704 5.324 1.00 61.30 H new ATOM 0 HE2 TYR A 515 -6.379 -9.990 6.459 1.00 23.51 H new ATOM 0 HH TYR A 515 -9.157 -9.555 5.223 1.00 5.41 H new ATOM 2175 N SER A 516 -5.516 -4.861 8.327 1.00 22.03 N ATOM 2176 CA SER A 516 -5.905 -5.329 9.667 1.00 73.44 C ATOM 2177 C SER A 516 -6.601 -6.697 9.547 1.00 22.30 C ATOM 2178 O SER A 516 -7.701 -6.781 9.002 1.00 10.11 O ATOM 2179 CB SER A 516 -6.858 -4.310 10.335 1.00 20.04 C ATOM 2180 OG SER A 516 -7.222 -4.711 11.654 1.00 73.51 O ATOM 0 H SER A 516 -6.247 -4.324 7.859 1.00 22.03 H new ATOM 0 HA SER A 516 -5.012 -5.427 10.285 1.00 73.44 H new ATOM 0 HB2 SER A 516 -6.377 -3.333 10.372 1.00 20.04 H new ATOM 0 HB3 SER A 516 -7.756 -4.200 9.728 1.00 20.04 H new ATOM 0 HG SER A 516 -7.689 -3.975 12.103 1.00 73.51 H new ATOM 2186 N SER A 517 -5.944 -7.764 10.030 1.00 64.33 N ATOM 2187 CA SER A 517 -6.531 -9.133 10.069 1.00 12.44 C ATOM 2188 C SER A 517 -7.695 -9.215 11.088 1.00 71.24 C ATOM 2189 O SER A 517 -8.626 -10.015 10.928 1.00 52.30 O ATOM 2190 CB SER A 517 -5.438 -10.171 10.421 1.00 0.11 C ATOM 2191 OG SER A 517 -4.827 -9.873 11.672 1.00 40.52 O ATOM 0 H SER A 517 -4.997 -7.713 10.405 1.00 64.33 H new ATOM 0 HA SER A 517 -6.932 -9.358 9.081 1.00 12.44 H new ATOM 0 HB2 SER A 517 -5.878 -11.168 10.457 1.00 0.11 H new ATOM 0 HB3 SER A 517 -4.680 -10.185 9.638 1.00 0.11 H new ATOM 0 HG SER A 517 -4.142 -10.545 11.870 1.00 40.52 H new ATOM 2197 N LYS A 518 -7.614 -8.371 12.128 1.00 30.42 N ATOM 2198 CA LYS A 518 -8.634 -8.258 13.184 1.00 61.20 C ATOM 2199 C LYS A 518 -9.933 -7.592 12.658 1.00 10.21 C ATOM 2200 O LYS A 518 -11.023 -8.159 12.769 1.00 61.10 O ATOM 2201 CB LYS A 518 -8.053 -7.440 14.368 1.00 21.01 C ATOM 2202 CG LYS A 518 -9.007 -7.270 15.573 1.00 65.33 C ATOM 2203 CD LYS A 518 -8.419 -6.350 16.667 1.00 5.12 C ATOM 2204 CE LYS A 518 -9.346 -6.205 17.886 1.00 3.04 C ATOM 2205 NZ LYS A 518 -8.776 -5.289 18.907 1.00 33.12 N ATOM 0 H LYS A 518 -6.826 -7.738 12.262 1.00 30.42 H new ATOM 0 HA LYS A 518 -8.896 -9.262 13.519 1.00 61.20 H new ATOM 0 HB2 LYS A 518 -7.140 -7.925 14.712 1.00 21.01 H new ATOM 0 HB3 LYS A 518 -7.771 -6.452 14.004 1.00 21.01 H new ATOM 0 HG2 LYS A 518 -9.955 -6.858 15.227 1.00 65.33 H new ATOM 0 HG3 LYS A 518 -9.223 -8.248 16.003 1.00 65.33 H new ATOM 0 HD2 LYS A 518 -7.458 -6.749 16.992 1.00 5.12 H new ATOM 0 HD3 LYS A 518 -8.228 -5.364 16.242 1.00 5.12 H new ATOM 0 HE2 LYS A 518 -10.316 -5.829 17.562 1.00 3.04 H new ATOM 0 HE3 LYS A 518 -9.516 -7.185 18.332 1.00 3.04 H new ATOM 0 HZ1 LYS A 518 -9.430 -5.217 19.713 1.00 33.12 H new ATOM 0 HZ2 LYS A 518 -7.862 -5.661 19.235 1.00 33.12 H new ATOM 0 HZ3 LYS A 518 -8.637 -4.347 18.489 1.00 33.12 H new ATOM 2219 N LYS A 519 -9.795 -6.379 12.084 1.00 63.11 N ATOM 2220 CA LYS A 519 -10.950 -5.543 11.654 1.00 72.13 C ATOM 2221 C LYS A 519 -11.285 -5.690 10.146 1.00 55.40 C ATOM 2222 O LYS A 519 -12.233 -5.065 9.671 1.00 25.43 O ATOM 2223 CB LYS A 519 -10.685 -4.058 12.029 1.00 45.30 C ATOM 2224 CG LYS A 519 -10.470 -3.830 13.547 1.00 15.35 C ATOM 2225 CD LYS A 519 -10.302 -2.343 13.945 1.00 51.23 C ATOM 2226 CE LYS A 519 -11.553 -1.482 13.658 1.00 73.32 C ATOM 2227 NZ LYS A 519 -11.427 -0.112 14.220 1.00 63.22 N ATOM 0 H LYS A 519 -8.888 -5.948 11.904 1.00 63.11 H new ATOM 0 HA LYS A 519 -11.830 -5.904 12.186 1.00 72.13 H new ATOM 0 HB2 LYS A 519 -9.805 -3.707 11.489 1.00 45.30 H new ATOM 0 HB3 LYS A 519 -11.527 -3.452 11.695 1.00 45.30 H new ATOM 0 HG2 LYS A 519 -11.318 -4.247 14.090 1.00 15.35 H new ATOM 0 HG3 LYS A 519 -9.586 -4.382 13.865 1.00 15.35 H new ATOM 0 HD2 LYS A 519 -10.066 -2.284 15.008 1.00 51.23 H new ATOM 0 HD3 LYS A 519 -9.452 -1.925 13.406 1.00 51.23 H new ATOM 0 HE2 LYS A 519 -11.711 -1.419 12.581 1.00 73.32 H new ATOM 0 HE3 LYS A 519 -12.432 -1.968 14.081 1.00 73.32 H new ATOM 0 HZ1 LYS A 519 -12.287 0.432 14.005 1.00 63.22 H new ATOM 0 HZ2 LYS A 519 -11.302 -0.170 15.251 1.00 63.22 H new ATOM 0 HZ3 LYS A 519 -10.603 0.362 13.798 1.00 63.22 H new ATOM 2241 N LYS A 520 -10.500 -6.518 9.420 1.00 52.23 N ATOM 2242 CA LYS A 520 -10.713 -6.855 7.977 1.00 73.51 C ATOM 2243 C LYS A 520 -10.708 -5.608 7.036 1.00 22.43 C ATOM 2244 O LYS A 520 -11.273 -5.651 5.935 1.00 44.30 O ATOM 2245 CB LYS A 520 -11.998 -7.737 7.767 1.00 25.04 C ATOM 2246 CG LYS A 520 -11.893 -9.196 8.305 1.00 60.14 C ATOM 2247 CD LYS A 520 -12.051 -9.330 9.847 1.00 3.10 C ATOM 2248 CE LYS A 520 -13.523 -9.444 10.322 1.00 72.12 C ATOM 2249 NZ LYS A 520 -14.396 -8.331 9.857 1.00 21.02 N ATOM 0 H LYS A 520 -9.685 -6.983 9.819 1.00 52.23 H new ATOM 0 HA LYS A 520 -9.848 -7.450 7.683 1.00 73.51 H new ATOM 0 HB2 LYS A 520 -12.840 -7.246 8.254 1.00 25.04 H new ATOM 0 HB3 LYS A 520 -12.224 -7.774 6.701 1.00 25.04 H new ATOM 0 HG2 LYS A 520 -12.657 -9.804 7.820 1.00 60.14 H new ATOM 0 HG3 LYS A 520 -10.926 -9.608 8.015 1.00 60.14 H new ATOM 0 HD2 LYS A 520 -11.502 -10.210 10.183 1.00 3.10 H new ATOM 0 HD3 LYS A 520 -11.591 -8.465 10.326 1.00 3.10 H new ATOM 0 HE2 LYS A 520 -13.936 -10.389 9.968 1.00 72.12 H new ATOM 0 HE3 LYS A 520 -13.541 -9.476 11.411 1.00 72.12 H new ATOM 0 HZ1 LYS A 520 -15.312 -8.381 10.346 1.00 21.02 H new ATOM 0 HZ2 LYS A 520 -13.940 -7.421 10.068 1.00 21.02 H new ATOM 0 HZ3 LYS A 520 -14.546 -8.413 8.831 1.00 21.02 H new ATOM 2263 N ILE A 521 -10.012 -4.521 7.442 1.00 51.15 N ATOM 2264 CA ILE A 521 -9.949 -3.257 6.648 1.00 23.40 C ATOM 2265 C ILE A 521 -8.536 -3.019 6.059 1.00 62.12 C ATOM 2266 O ILE A 521 -7.530 -3.430 6.644 1.00 34.43 O ATOM 2267 CB ILE A 521 -10.380 -1.992 7.498 1.00 3.00 C ATOM 2268 CG1 ILE A 521 -9.350 -1.660 8.630 1.00 71.33 C ATOM 2269 CG2 ILE A 521 -11.793 -2.190 8.096 1.00 11.44 C ATOM 2270 CD1 ILE A 521 -9.642 -0.374 9.392 1.00 15.31 C ATOM 0 H ILE A 521 -9.484 -4.487 8.314 1.00 51.15 H new ATOM 0 HA ILE A 521 -10.659 -3.383 5.831 1.00 23.40 H new ATOM 0 HB ILE A 521 -10.400 -1.142 6.817 1.00 3.00 H new ATOM 0 HG12 ILE A 521 -9.327 -2.489 9.337 1.00 71.33 H new ATOM 0 HG13 ILE A 521 -8.356 -1.589 8.189 1.00 71.33 H new ATOM 0 HG21 ILE A 521 -12.069 -1.309 8.676 1.00 11.44 H new ATOM 0 HG22 ILE A 521 -12.512 -2.334 7.290 1.00 11.44 H new ATOM 0 HG23 ILE A 521 -11.794 -3.066 8.744 1.00 11.44 H new ATOM 0 HD11 ILE A 521 -8.879 -0.223 10.156 1.00 15.31 H new ATOM 0 HD12 ILE A 521 -9.635 0.468 8.700 1.00 15.31 H new ATOM 0 HD13 ILE A 521 -10.621 -0.446 9.866 1.00 15.31 H new ATOM 2282 N PHE A 522 -8.480 -2.346 4.895 1.00 74.24 N ATOM 2283 CA PHE A 522 -7.209 -1.886 4.287 1.00 32.30 C ATOM 2284 C PHE A 522 -6.927 -0.407 4.644 1.00 11.34 C ATOM 2285 O PHE A 522 -7.770 0.477 4.457 1.00 23.54 O ATOM 2286 CB PHE A 522 -7.207 -2.087 2.745 1.00 32.04 C ATOM 2287 CG PHE A 522 -6.897 -3.516 2.311 1.00 41.33 C ATOM 2288 CD1 PHE A 522 -5.574 -3.943 2.159 1.00 72.14 C ATOM 2289 CD2 PHE A 522 -7.910 -4.428 2.046 1.00 33.50 C ATOM 2290 CE1 PHE A 522 -5.281 -5.230 1.758 1.00 33.33 C ATOM 2291 CE2 PHE A 522 -7.614 -5.712 1.645 1.00 21.21 C ATOM 2292 CZ PHE A 522 -6.302 -6.116 1.498 1.00 24.33 C ATOM 0 H PHE A 522 -9.307 -2.105 4.349 1.00 74.24 H new ATOM 0 HA PHE A 522 -6.409 -2.499 4.703 1.00 32.30 H new ATOM 0 HB2 PHE A 522 -8.181 -1.800 2.349 1.00 32.04 H new ATOM 0 HB3 PHE A 522 -6.472 -1.415 2.301 1.00 32.04 H new ATOM 0 HD1 PHE A 522 -4.768 -3.253 2.359 1.00 72.14 H new ATOM 0 HD2 PHE A 522 -8.941 -4.127 2.156 1.00 33.50 H new ATOM 0 HE1 PHE A 522 -4.253 -5.542 1.648 1.00 33.33 H new ATOM 0 HE2 PHE A 522 -8.415 -6.408 1.444 1.00 21.21 H new ATOM 0 HZ PHE A 522 -6.078 -7.123 1.180 1.00 24.33 H new ATOM 2302 N MET A 523 -5.723 -0.180 5.174 1.00 52.45 N ATOM 2303 CA MET A 523 -5.227 1.143 5.617 1.00 22.55 C ATOM 2304 C MET A 523 -4.248 1.741 4.574 1.00 42.13 C ATOM 2305 O MET A 523 -3.621 1.002 3.825 1.00 55.33 O ATOM 2306 CB MET A 523 -4.521 0.965 6.994 1.00 74.22 C ATOM 2307 CG MET A 523 -5.399 0.288 8.061 1.00 2.13 C ATOM 2308 SD MET A 523 -4.528 0.008 9.619 1.00 25.32 S ATOM 2309 CE MET A 523 -5.853 -0.607 10.664 1.00 71.42 C ATOM 0 H MET A 523 -5.041 -0.925 5.314 1.00 52.45 H new ATOM 0 HA MET A 523 -6.062 1.836 5.715 1.00 22.55 H new ATOM 0 HB2 MET A 523 -3.616 0.374 6.854 1.00 74.22 H new ATOM 0 HB3 MET A 523 -4.209 1.943 7.361 1.00 74.22 H new ATOM 0 HG2 MET A 523 -6.276 0.907 8.248 1.00 2.13 H new ATOM 0 HG3 MET A 523 -5.759 -0.666 7.676 1.00 2.13 H new ATOM 0 HE1 MET A 523 -5.461 -1.370 11.337 1.00 71.42 H new ATOM 0 HE2 MET A 523 -6.266 0.215 11.249 1.00 71.42 H new ATOM 0 HE3 MET A 523 -6.636 -1.039 10.042 1.00 71.42 H new ATOM 2319 N GLY A 524 -4.128 3.085 4.533 1.00 0.41 N ATOM 2320 CA GLY A 524 -3.165 3.764 3.640 1.00 5.53 C ATOM 2321 C GLY A 524 -2.411 4.905 4.332 1.00 41.32 C ATOM 2322 O GLY A 524 -2.882 6.039 4.370 1.00 43.41 O ATOM 0 H GLY A 524 -4.684 3.720 5.106 1.00 0.41 H new ATOM 0 HA2 GLY A 524 -2.446 3.034 3.267 1.00 5.53 H new ATOM 0 HA3 GLY A 524 -3.696 4.159 2.774 1.00 5.53 H new ATOM 2326 N LEU A 525 -1.218 4.605 4.863 1.00 22.14 N ATOM 2327 CA LEU A 525 -0.360 5.602 5.551 1.00 60.15 C ATOM 2328 C LEU A 525 0.534 6.340 4.533 1.00 0.21 C ATOM 2329 O LEU A 525 1.492 5.766 4.021 1.00 43.24 O ATOM 2330 CB LEU A 525 0.481 4.877 6.645 1.00 0.04 C ATOM 2331 CG LEU A 525 -0.332 4.450 7.913 1.00 51.44 C ATOM 2332 CD1 LEU A 525 0.449 3.464 8.802 1.00 21.11 C ATOM 2333 CD2 LEU A 525 -0.747 5.702 8.720 1.00 21.30 C ATOM 0 H LEU A 525 -0.814 3.669 4.832 1.00 22.14 H new ATOM 0 HA LEU A 525 -0.980 6.357 6.034 1.00 60.15 H new ATOM 0 HB2 LEU A 525 0.937 3.990 6.206 1.00 0.04 H new ATOM 0 HB3 LEU A 525 1.294 5.534 6.955 1.00 0.04 H new ATOM 0 HG LEU A 525 -1.226 3.928 7.572 1.00 51.44 H new ATOM 0 HD11 LEU A 525 -0.156 3.197 9.668 1.00 21.11 H new ATOM 0 HD12 LEU A 525 0.681 2.565 8.231 1.00 21.11 H new ATOM 0 HD13 LEU A 525 1.375 3.931 9.136 1.00 21.11 H new ATOM 0 HD21 LEU A 525 -1.312 5.396 9.601 1.00 21.30 H new ATOM 0 HD22 LEU A 525 0.145 6.246 9.032 1.00 21.30 H new ATOM 0 HD23 LEU A 525 -1.366 6.347 8.097 1.00 21.30 H new ATOM 2345 N ILE A 526 0.209 7.619 4.260 1.00 62.13 N ATOM 2346 CA ILE A 526 0.902 8.443 3.242 1.00 71.12 C ATOM 2347 C ILE A 526 2.028 9.297 3.887 1.00 21.34 C ATOM 2348 O ILE A 526 1.734 10.363 4.450 1.00 33.42 O ATOM 2349 CB ILE A 526 -0.106 9.404 2.503 1.00 30.35 C ATOM 2350 CG1 ILE A 526 -1.323 8.616 1.910 1.00 11.21 C ATOM 2351 CG2 ILE A 526 0.633 10.226 1.418 1.00 64.34 C ATOM 2352 CD1 ILE A 526 -2.394 9.474 1.244 1.00 5.02 C ATOM 0 H ILE A 526 -0.543 8.114 4.739 1.00 62.13 H new ATOM 0 HA ILE A 526 1.338 7.754 2.519 1.00 71.12 H new ATOM 0 HB ILE A 526 -0.513 10.102 3.235 1.00 30.35 H new ATOM 0 HG12 ILE A 526 -0.949 7.899 1.179 1.00 11.21 H new ATOM 0 HG13 ILE A 526 -1.788 8.041 2.711 1.00 11.21 H new ATOM 0 HG21 ILE A 526 -0.075 10.885 0.916 1.00 64.34 H new ATOM 0 HG22 ILE A 526 1.417 10.823 1.885 1.00 64.34 H new ATOM 0 HG23 ILE A 526 1.078 9.549 0.689 1.00 64.34 H new ATOM 0 HD11 ILE A 526 -3.191 8.833 0.867 1.00 5.02 H new ATOM 0 HD12 ILE A 526 -2.804 10.174 1.972 1.00 5.02 H new ATOM 0 HD13 ILE A 526 -1.953 10.029 0.416 1.00 5.02 H new ATOM 2364 N PRO A 527 3.326 8.873 3.800 1.00 12.53 N ATOM 2365 CA PRO A 527 4.437 9.587 4.456 1.00 51.25 C ATOM 2366 C PRO A 527 4.902 10.804 3.622 1.00 34.22 C ATOM 2367 O PRO A 527 5.394 10.640 2.509 1.00 41.33 O ATOM 2368 CB PRO A 527 5.526 8.492 4.563 1.00 15.11 C ATOM 2369 CG PRO A 527 5.296 7.606 3.372 1.00 21.12 C ATOM 2370 CD PRO A 527 3.824 7.710 3.019 1.00 13.32 C ATOM 0 HA PRO A 527 4.172 10.015 5.423 1.00 51.25 H new ATOM 0 HB2 PRO A 527 6.526 8.925 4.547 1.00 15.11 H new ATOM 0 HB3 PRO A 527 5.436 7.934 5.495 1.00 15.11 H new ATOM 0 HG2 PRO A 527 5.917 7.919 2.533 1.00 21.12 H new ATOM 0 HG3 PRO A 527 5.566 6.575 3.601 1.00 21.12 H new ATOM 0 HD2 PRO A 527 3.684 7.863 1.949 1.00 13.32 H new ATOM 0 HD3 PRO A 527 3.289 6.798 3.283 1.00 13.32 H new ATOM 2378 N TYR A 528 4.751 12.022 4.179 1.00 31.11 N ATOM 2379 CA TYR A 528 5.079 13.295 3.465 1.00 11.44 C ATOM 2380 C TYR A 528 6.563 13.358 3.024 1.00 34.22 C ATOM 2381 O TYR A 528 6.934 14.118 2.119 1.00 4.34 O ATOM 2382 CB TYR A 528 4.739 14.510 4.361 1.00 53.01 C ATOM 2383 CG TYR A 528 3.282 14.539 4.847 1.00 25.21 C ATOM 2384 CD1 TYR A 528 2.234 14.824 3.964 1.00 24.21 C ATOM 2385 CD2 TYR A 528 2.958 14.299 6.185 1.00 61.22 C ATOM 2386 CE1 TYR A 528 0.924 14.875 4.403 1.00 14.32 C ATOM 2387 CE2 TYR A 528 1.651 14.343 6.622 1.00 72.22 C ATOM 2388 CZ TYR A 528 0.642 14.634 5.731 1.00 43.40 C ATOM 2389 OH TYR A 528 -0.656 14.707 6.173 1.00 22.30 O ATOM 0 H TYR A 528 4.402 12.162 5.127 1.00 31.11 H new ATOM 0 HA TYR A 528 4.471 13.324 2.561 1.00 11.44 H new ATOM 0 HB2 TYR A 528 5.400 14.506 5.227 1.00 53.01 H new ATOM 0 HB3 TYR A 528 4.945 15.426 3.807 1.00 53.01 H new ATOM 0 HD1 TYR A 528 2.452 15.007 2.922 1.00 24.21 H new ATOM 0 HD2 TYR A 528 3.745 14.075 6.889 1.00 61.22 H new ATOM 0 HE1 TYR A 528 0.127 15.102 3.710 1.00 14.32 H new ATOM 0 HE2 TYR A 528 1.419 14.150 7.659 1.00 72.22 H new ATOM 0 HH TYR A 528 -0.686 14.510 7.132 1.00 22.30 H new ATOM 2399 N ASP A 529 7.398 12.547 3.689 1.00 53.25 N ATOM 2400 CA ASP A 529 8.799 12.328 3.300 1.00 25.41 C ATOM 2401 C ASP A 529 8.863 11.282 2.150 1.00 14.31 C ATOM 2402 O ASP A 529 9.256 10.136 2.371 1.00 41.04 O ATOM 2403 CB ASP A 529 9.628 11.852 4.535 1.00 22.53 C ATOM 2404 CG ASP A 529 9.184 12.515 5.846 1.00 4.14 C ATOM 2405 OD1 ASP A 529 9.605 13.660 6.124 1.00 53.01 O ATOM 2406 OD2 ASP A 529 8.399 11.898 6.594 1.00 44.50 O ATOM 0 H ASP A 529 7.119 12.021 4.517 1.00 53.25 H new ATOM 0 HA ASP A 529 9.229 13.264 2.943 1.00 25.41 H new ATOM 0 HB2 ASP A 529 9.537 10.770 4.632 1.00 22.53 H new ATOM 0 HB3 ASP A 529 10.682 12.069 4.363 1.00 22.53 H new ATOM 2411 N GLN A 530 8.420 11.677 0.935 1.00 51.22 N ATOM 2412 CA GLN A 530 8.465 10.806 -0.277 1.00 53.11 C ATOM 2413 C GLN A 530 9.889 10.256 -0.539 1.00 43.10 C ATOM 2414 O GLN A 530 10.082 9.045 -0.602 1.00 1.21 O ATOM 2415 CB GLN A 530 7.961 11.590 -1.529 1.00 32.22 C ATOM 2416 CG GLN A 530 6.458 11.483 -1.850 1.00 3.30 C ATOM 2417 CD GLN A 530 5.526 11.704 -0.663 1.00 33.24 C ATOM 2418 OE1 GLN A 530 4.964 10.640 -0.110 1.00 60.21 O flip ATOM 2419 NE2 GLN A 530 5.254 12.827 -0.297 1.00 63.13 N flip ATOM 0 H GLN A 530 8.023 12.600 0.760 1.00 51.22 H new ATOM 0 HA GLN A 530 7.807 9.957 -0.092 1.00 53.11 H new ATOM 0 HB2 GLN A 530 8.206 12.643 -1.393 1.00 32.22 H new ATOM 0 HB3 GLN A 530 8.521 11.242 -2.397 1.00 32.22 H new ATOM 0 HG2 GLN A 530 6.215 12.211 -2.624 1.00 3.30 H new ATOM 0 HG3 GLN A 530 6.261 10.496 -2.268 1.00 3.30 H new ATOM 0 HE21 GLN A 530 5.701 13.630 -0.740 1.00 63.13 H new ATOM 0 HE22 GLN A 530 4.578 12.969 0.454 1.00 63.13 H new ATOM 2428 N SER A 531 10.869 11.170 -0.661 1.00 24.04 N ATOM 2429 CA SER A 531 12.287 10.823 -0.942 1.00 32.14 C ATOM 2430 C SER A 531 12.871 9.876 0.135 1.00 34.02 C ATOM 2431 O SER A 531 13.453 8.839 -0.194 1.00 62.22 O ATOM 2432 CB SER A 531 13.136 12.113 -1.025 1.00 50.33 C ATOM 2433 OG SER A 531 12.627 13.007 -2.004 1.00 71.20 O ATOM 0 H SER A 531 10.707 12.173 -0.569 1.00 24.04 H new ATOM 0 HA SER A 531 12.319 10.299 -1.897 1.00 32.14 H new ATOM 0 HB2 SER A 531 13.149 12.605 -0.052 1.00 50.33 H new ATOM 0 HB3 SER A 531 14.168 11.856 -1.266 1.00 50.33 H new ATOM 0 HG SER A 531 13.183 13.813 -2.032 1.00 71.20 H new ATOM 2439 N GLY A 532 12.658 10.231 1.418 1.00 14.13 N ATOM 2440 CA GLY A 532 13.145 9.436 2.559 1.00 24.05 C ATOM 2441 C GLY A 532 12.491 8.056 2.680 1.00 55.33 C ATOM 2442 O GLY A 532 13.145 7.083 3.078 1.00 33.05 O ATOM 0 H GLY A 532 12.147 11.071 1.689 1.00 14.13 H new ATOM 0 HA2 GLY A 532 14.224 9.309 2.466 1.00 24.05 H new ATOM 0 HA3 GLY A 532 12.968 9.993 3.479 1.00 24.05 H new ATOM 2446 N PHE A 533 11.197 7.973 2.325 1.00 53.41 N ATOM 2447 CA PHE A 533 10.442 6.707 2.368 1.00 41.31 C ATOM 2448 C PHE A 533 10.912 5.746 1.263 1.00 24.24 C ATOM 2449 O PHE A 533 11.217 4.595 1.543 1.00 74.20 O ATOM 2450 CB PHE A 533 8.920 6.957 2.262 1.00 41.52 C ATOM 2451 CG PHE A 533 8.078 5.691 2.450 1.00 53.50 C ATOM 2452 CD1 PHE A 533 7.932 5.119 3.713 1.00 53.42 C ATOM 2453 CD2 PHE A 533 7.441 5.076 1.373 1.00 23.32 C ATOM 2454 CE1 PHE A 533 7.177 3.978 3.890 1.00 62.14 C ATOM 2455 CE2 PHE A 533 6.687 3.933 1.553 1.00 32.13 C ATOM 2456 CZ PHE A 533 6.559 3.389 2.810 1.00 14.01 C ATOM 0 H PHE A 533 10.649 8.771 2.004 1.00 53.41 H new ATOM 0 HA PHE A 533 10.639 6.240 3.333 1.00 41.31 H new ATOM 0 HB2 PHE A 533 8.628 7.693 3.011 1.00 41.52 H new ATOM 0 HB3 PHE A 533 8.698 7.390 1.287 1.00 41.52 H new ATOM 0 HD1 PHE A 533 8.416 5.575 4.564 1.00 53.42 H new ATOM 0 HD2 PHE A 533 7.539 5.499 0.384 1.00 23.32 H new ATOM 0 HE1 PHE A 533 7.071 3.547 4.875 1.00 62.14 H new ATOM 0 HE2 PHE A 533 6.199 3.468 0.709 1.00 32.13 H new ATOM 0 HZ PHE A 533 5.970 2.495 2.950 1.00 14.01 H new ATOM 2466 N VAL A 534 10.985 6.249 0.019 1.00 2.12 N ATOM 2467 CA VAL A 534 11.449 5.472 -1.152 1.00 64.05 C ATOM 2468 C VAL A 534 12.939 5.035 -0.988 1.00 1.01 C ATOM 2469 O VAL A 534 13.327 3.990 -1.497 1.00 54.23 O ATOM 2470 CB VAL A 534 11.227 6.283 -2.493 1.00 51.31 C ATOM 2471 CG1 VAL A 534 11.734 5.506 -3.732 1.00 75.34 C ATOM 2472 CG2 VAL A 534 9.730 6.662 -2.678 1.00 1.31 C ATOM 0 H VAL A 534 10.724 7.209 -0.208 1.00 2.12 H new ATOM 0 HA VAL A 534 10.849 4.564 -1.211 1.00 64.05 H new ATOM 0 HB VAL A 534 11.814 7.197 -2.407 1.00 51.31 H new ATOM 0 HG11 VAL A 534 11.562 6.100 -4.630 1.00 75.34 H new ATOM 0 HG12 VAL A 534 12.801 5.309 -3.627 1.00 75.34 H new ATOM 0 HG13 VAL A 534 11.197 4.561 -3.814 1.00 75.34 H new ATOM 0 HG21 VAL A 534 9.608 7.218 -3.607 1.00 1.31 H new ATOM 0 HG22 VAL A 534 9.127 5.755 -2.716 1.00 1.31 H new ATOM 0 HG23 VAL A 534 9.405 7.279 -1.840 1.00 1.31 H new ATOM 2482 N ASN A 535 13.749 5.825 -0.236 1.00 12.05 N ATOM 2483 CA ASN A 535 15.135 5.420 0.159 1.00 23.12 C ATOM 2484 C ASN A 535 15.114 4.209 1.130 1.00 75.42 C ATOM 2485 O ASN A 535 15.966 3.316 1.038 1.00 55.03 O ATOM 2486 CB ASN A 535 15.909 6.599 0.819 1.00 63.33 C ATOM 2487 CG ASN A 535 16.336 7.695 -0.161 1.00 71.40 C ATOM 2488 OD1 ASN A 535 16.573 7.444 -1.342 1.00 43.25 O ATOM 2489 ND2 ASN A 535 16.458 8.917 0.328 1.00 73.52 N ATOM 0 H ASN A 535 13.473 6.744 0.111 1.00 12.05 H new ATOM 0 HA ASN A 535 15.651 5.131 -0.757 1.00 23.12 H new ATOM 0 HB2 ASN A 535 15.282 7.043 1.593 1.00 63.33 H new ATOM 0 HB3 ASN A 535 16.796 6.205 1.315 1.00 63.33 H new ATOM 0 HD21 ASN A 535 16.755 9.682 -0.278 1.00 73.52 H new ATOM 0 HD22 ASN A 535 16.255 9.095 1.311 1.00 73.52 H new ATOM 2496 N GLY A 536 14.140 4.202 2.060 1.00 4.25 N ATOM 2497 CA GLY A 536 13.938 3.069 2.977 1.00 0.34 C ATOM 2498 C GLY A 536 13.426 1.809 2.263 1.00 74.30 C ATOM 2499 O GLY A 536 13.889 0.701 2.532 1.00 63.31 O ATOM 0 H GLY A 536 13.482 4.969 2.194 1.00 4.25 H new ATOM 0 HA2 GLY A 536 14.879 2.840 3.477 1.00 0.34 H new ATOM 0 HA3 GLY A 536 13.227 3.357 3.751 1.00 0.34 H new ATOM 2503 N ILE A 537 12.479 2.004 1.329 1.00 70.32 N ATOM 2504 CA ILE A 537 11.915 0.932 0.478 1.00 75.13 C ATOM 2505 C ILE A 537 12.994 0.350 -0.465 1.00 14.34 C ATOM 2506 O ILE A 537 13.022 -0.843 -0.710 1.00 61.34 O ATOM 2507 CB ILE A 537 10.694 1.485 -0.353 1.00 44.10 C ATOM 2508 CG1 ILE A 537 9.577 2.014 0.595 1.00 54.21 C ATOM 2509 CG2 ILE A 537 10.116 0.438 -1.333 1.00 64.52 C ATOM 2510 CD1 ILE A 537 8.982 0.971 1.525 1.00 34.22 C ATOM 0 H ILE A 537 12.076 2.921 1.138 1.00 70.32 H new ATOM 0 HA ILE A 537 11.565 0.128 1.125 1.00 75.13 H new ATOM 0 HB ILE A 537 11.074 2.311 -0.955 1.00 44.10 H new ATOM 0 HG12 ILE A 537 9.986 2.826 1.197 1.00 54.21 H new ATOM 0 HG13 ILE A 537 8.777 2.438 -0.011 1.00 54.21 H new ATOM 0 HG21 ILE A 537 9.278 0.873 -1.878 1.00 64.52 H new ATOM 0 HG22 ILE A 537 10.889 0.134 -2.038 1.00 64.52 H new ATOM 0 HG23 ILE A 537 9.772 -0.433 -0.774 1.00 64.52 H new ATOM 0 HD11 ILE A 537 8.214 1.433 2.146 1.00 34.22 H new ATOM 0 HD12 ILE A 537 8.538 0.169 0.936 1.00 34.22 H new ATOM 0 HD13 ILE A 537 9.766 0.562 2.162 1.00 34.22 H new ATOM 2522 N ARG A 538 13.890 1.228 -0.937 1.00 62.12 N ATOM 2523 CA ARG A 538 15.055 0.888 -1.794 1.00 75.05 C ATOM 2524 C ARG A 538 15.998 -0.149 -1.117 1.00 51.14 C ATOM 2525 O ARG A 538 16.580 -1.011 -1.787 1.00 74.43 O ATOM 2526 CB ARG A 538 15.786 2.216 -2.111 1.00 53.54 C ATOM 2527 CG ARG A 538 17.078 2.136 -2.941 1.00 60.53 C ATOM 2528 CD ARG A 538 17.665 3.542 -3.209 1.00 75.44 C ATOM 2529 NE ARG A 538 19.049 3.500 -3.713 1.00 50.33 N ATOM 2530 CZ ARG A 538 19.942 4.462 -3.563 1.00 23.54 C ATOM 2531 NH1 ARG A 538 19.655 5.563 -2.926 1.00 10.52 N ATOM 2532 NH2 ARG A 538 21.132 4.305 -4.036 1.00 13.32 N ATOM 0 H ARG A 538 13.830 2.225 -0.732 1.00 62.12 H new ATOM 0 HA ARG A 538 14.720 0.409 -2.714 1.00 75.05 H new ATOM 0 HB2 ARG A 538 15.088 2.867 -2.638 1.00 53.54 H new ATOM 0 HB3 ARG A 538 16.024 2.703 -1.165 1.00 53.54 H new ATOM 0 HG2 ARG A 538 17.813 1.527 -2.415 1.00 60.53 H new ATOM 0 HG3 ARG A 538 16.873 1.639 -3.889 1.00 60.53 H new ATOM 0 HD2 ARG A 538 17.036 4.061 -3.932 1.00 75.44 H new ATOM 0 HD3 ARG A 538 17.637 4.123 -2.287 1.00 75.44 H new ATOM 0 HE ARG A 538 19.340 2.663 -4.217 1.00 50.33 H new ATOM 0 HH11 ARG A 538 18.724 5.696 -2.531 1.00 10.52 H new ATOM 0 HH12 ARG A 538 20.361 6.292 -2.823 1.00 10.52 H new ATOM 0 HH21 ARG A 538 21.378 3.443 -4.522 1.00 13.32 H new ATOM 0 HH22 ARG A 538 21.827 5.043 -3.924 1.00 13.32 H new ATOM 2546 N GLN A 539 16.115 -0.058 0.222 1.00 53.45 N ATOM 2547 CA GLN A 539 16.848 -1.053 1.045 1.00 40.14 C ATOM 2548 C GLN A 539 16.070 -2.401 1.122 1.00 12.42 C ATOM 2549 O GLN A 539 16.662 -3.480 1.062 1.00 12.00 O ATOM 2550 CB GLN A 539 17.083 -0.482 2.472 1.00 31.53 C ATOM 2551 CG GLN A 539 17.855 0.867 2.532 1.00 13.43 C ATOM 2552 CD GLN A 539 19.350 0.786 2.165 1.00 50.25 C ATOM 2553 OE1 GLN A 539 19.785 -0.046 1.383 1.00 63.41 O ATOM 2554 NE2 GLN A 539 20.153 1.676 2.711 1.00 64.01 N ATOM 0 H GLN A 539 15.708 0.702 0.766 1.00 53.45 H new ATOM 0 HA GLN A 539 17.810 -1.250 0.573 1.00 40.14 H new ATOM 0 HB2 GLN A 539 16.115 -0.349 2.956 1.00 31.53 H new ATOM 0 HB3 GLN A 539 17.632 -1.222 3.055 1.00 31.53 H new ATOM 0 HG2 GLN A 539 17.370 1.575 1.859 1.00 13.43 H new ATOM 0 HG3 GLN A 539 17.766 1.273 3.540 1.00 13.43 H new ATOM 0 HE21 GLN A 539 19.781 2.367 3.363 1.00 64.01 H new ATOM 0 HE22 GLN A 539 21.147 1.674 2.482 1.00 64.01 H new ATOM 2563 N VAL A 540 14.734 -2.298 1.237 1.00 10.34 N ATOM 2564 CA VAL A 540 13.808 -3.456 1.321 1.00 33.44 C ATOM 2565 C VAL A 540 13.647 -4.168 -0.062 1.00 32.45 C ATOM 2566 O VAL A 540 13.324 -5.361 -0.122 1.00 21.42 O ATOM 2567 CB VAL A 540 12.408 -2.979 1.882 1.00 3.03 C ATOM 2568 CG1 VAL A 540 11.417 -4.149 2.078 1.00 31.14 C ATOM 2569 CG2 VAL A 540 12.590 -2.191 3.205 1.00 15.05 C ATOM 0 H VAL A 540 14.254 -1.399 1.275 1.00 10.34 H new ATOM 0 HA VAL A 540 14.234 -4.188 2.007 1.00 33.44 H new ATOM 0 HB VAL A 540 11.974 -2.318 1.131 1.00 3.03 H new ATOM 0 HG11 VAL A 540 10.473 -3.765 2.465 1.00 31.14 H new ATOM 0 HG12 VAL A 540 11.244 -4.643 1.122 1.00 31.14 H new ATOM 0 HG13 VAL A 540 11.835 -4.865 2.786 1.00 31.14 H new ATOM 0 HG21 VAL A 540 11.616 -1.871 3.575 1.00 15.05 H new ATOM 0 HG22 VAL A 540 13.068 -2.831 3.947 1.00 15.05 H new ATOM 0 HG23 VAL A 540 13.214 -1.316 3.024 1.00 15.05 H new