USER MOD reduce.3.24.130724 H: found=0, std=0, add=1031, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1033 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 516 SER OG : rot -170:sc= 0 USER MOD Set 1.2: A 523 MET CE :methyl 180:sc= -0.126 (180deg=-0.126) USER MOD Set 2.1: A 497 CYS SG : rot -112:sc= 0.58 USER MOD Set 2.2: A 499 HIS : no HE2:sc= 1.02 K(o=1.6,f=-6.5!) USER MOD Set 3.1: A 398 LYS NZ :NH3+ -164:sc= 0.625 (180deg=0) USER MOD Set 3.2: A 472 GLN : amide:sc= -0.496 K(o=0.13,f=-5.3!) USER MOD Set 4.1: A 430 GLN : amide:sc= -0.0507 K(o=-0.084,f=-1.9) USER MOD Set 4.2: A 432 TYR OH : rot 3:sc= 0.00508 USER MOD Set 4.3: A 474 HIS : no HD1:sc= -0.0384 K(o=-0.084,f=-0.8) USER MOD Set 5.1: A 409 GLN :FLIP amide:sc= 0.384 F(o=-1.8!,f=0.8) USER MOD Set 5.2: A 424 THR OG1 : rot -11:sc= 0.411 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 33:sc= -3.7! USER MOD Single : A 434 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 438 ASN : amide:sc= -0.082 K(o=-0.082,f=-0.67) USER MOD Single : A 440 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 441 THR OG1 : rot -11:sc= 1.27 USER MOD Single : A 443 GLN : amide:sc=-0.00511 K(o=-0.0051,f=-0.77) USER MOD Single : A 446 GLN :FLIP amide:sc= -0.0143 F(o=-0.87,f=-0.014) USER MOD Single : A 447 LYS NZ :NH3+ -175:sc= -0.84 (180deg=-0.942) USER MOD Single : A 450 MET CE :methyl -130:sc= 0 (180deg=-0.874) USER MOD Single : A 451 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 455 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 456 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 459 THR OG1 : rot -89:sc= 0.809 USER MOD Single : A 460 THR OG1 : rot 180:sc= 0 USER MOD Single : A 467 ASN : amide:sc= -0.777 X(o=-0.78,f=-0.98) USER MOD Single : A 468 SER OG : rot -160:sc= 0 USER MOD Single : A 470 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 476 THR OG1 : rot 65:sc= 0.00834 USER MOD Single : A 477 ASN : amide:sc= -0.175 K(o=-0.17,f=-4!) USER MOD Single : A 478 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 482 SER OG : rot 180:sc= -0.234 USER MOD Single : A 484 LYS NZ :NH3+ 162:sc= -1.87! (180deg=-1.98!) USER MOD Single : A 487 TYR OH : rot 15:sc= -0.0663 USER MOD Single : A 490 MET CE :methyl -126:sc= 0 (180deg=-0.335) USER MOD Single : A 492 ASN : amide:sc=-0.00355 K(o=-0.0035,f=-1.1) USER MOD Single : A 512 MET CE :methyl 147:sc= -2.9! (180deg=-3.73!) USER MOD Single : A 515 TYR OH : rot 63:sc= 0.0738 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+ 168:sc= -0.0201 (180deg=-0.192) USER MOD Single : A 528 TYR OH : rot 180:sc=-0.00263 USER MOD Single : A 530 GLN : amide:sc= 2.08 K(o=2.1,f=-9!) USER MOD Single : A 531 SER OG : rot 180:sc= 0 USER MOD Single : A 535 ASN : amide:sc= -0.0274 K(o=-0.027,f=-1.9!) USER MOD Single : A 539 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 250 N LYS A 398 -16.265 7.724 6.366 1.00 45.33 N ATOM 251 CA LYS A 398 -15.354 8.392 5.386 1.00 45.02 C ATOM 252 C LYS A 398 -15.925 8.666 3.965 1.00 13.50 C ATOM 253 O LYS A 398 -16.697 7.880 3.409 1.00 42.52 O ATOM 254 CB LYS A 398 -14.053 7.550 5.275 1.00 63.42 C ATOM 255 CG LYS A 398 -13.232 7.506 6.582 1.00 14.32 C ATOM 256 CD LYS A 398 -11.981 6.609 6.473 1.00 62.33 C ATOM 257 CE LYS A 398 -11.213 6.500 7.806 1.00 55.31 C ATOM 258 NZ LYS A 398 -10.110 5.503 7.745 1.00 60.13 N ATOM 0 HA LYS A 398 -15.184 9.390 5.791 1.00 45.02 H new ATOM 0 HB2 LYS A 398 -14.313 6.532 4.984 1.00 63.42 H new ATOM 0 HB3 LYS A 398 -13.432 7.960 4.479 1.00 63.42 H new ATOM 0 HG2 LYS A 398 -12.926 8.518 6.847 1.00 14.32 H new ATOM 0 HG3 LYS A 398 -13.865 7.142 7.391 1.00 14.32 H new ATOM 0 HD2 LYS A 398 -12.280 5.613 6.147 1.00 62.33 H new ATOM 0 HD3 LYS A 398 -11.317 7.009 5.707 1.00 62.33 H new ATOM 0 HE2 LYS A 398 -10.803 7.476 8.067 1.00 55.31 H new ATOM 0 HE3 LYS A 398 -11.906 6.223 8.600 1.00 55.31 H new ATOM 0 HZ1 LYS A 398 -9.803 5.265 8.710 1.00 60.13 H new ATOM 0 HZ2 LYS A 398 -10.446 4.643 7.267 1.00 60.13 H new ATOM 0 HZ3 LYS A 398 -9.309 5.903 7.216 1.00 60.13 H new ATOM 272 N LEU A 399 -15.479 9.802 3.394 1.00 14.44 N ATOM 273 CA LEU A 399 -15.939 10.322 2.089 1.00 12.42 C ATOM 274 C LEU A 399 -15.016 9.825 0.944 1.00 60.34 C ATOM 275 O LEU A 399 -13.800 9.700 1.132 1.00 50.31 O ATOM 276 CB LEU A 399 -15.944 11.878 2.140 1.00 21.32 C ATOM 277 CG LEU A 399 -16.806 12.595 1.056 1.00 65.21 C ATOM 278 CD1 LEU A 399 -18.315 12.316 1.271 1.00 40.43 C ATOM 279 CD2 LEU A 399 -16.513 14.111 1.034 1.00 22.54 C ATOM 0 H LEU A 399 -14.776 10.396 3.834 1.00 14.44 H new ATOM 0 HA LEU A 399 -16.946 9.956 1.890 1.00 12.42 H new ATOM 0 HB2 LEU A 399 -16.300 12.188 3.122 1.00 21.32 H new ATOM 0 HB3 LEU A 399 -14.916 12.228 2.048 1.00 21.32 H new ATOM 0 HG LEU A 399 -16.531 12.189 0.083 1.00 65.21 H new ATOM 0 HD11 LEU A 399 -18.893 12.828 0.501 1.00 40.43 H new ATOM 0 HD12 LEU A 399 -18.499 11.243 1.210 1.00 40.43 H new ATOM 0 HD13 LEU A 399 -18.616 12.680 2.253 1.00 40.43 H new ATOM 0 HD21 LEU A 399 -17.126 14.589 0.270 1.00 22.54 H new ATOM 0 HD22 LEU A 399 -16.746 14.541 2.008 1.00 22.54 H new ATOM 0 HD23 LEU A 399 -15.459 14.275 0.808 1.00 22.54 H new ATOM 291 N LEU A 400 -15.599 9.550 -0.240 1.00 21.55 N ATOM 292 CA LEU A 400 -14.841 9.106 -1.434 1.00 43.03 C ATOM 293 C LEU A 400 -14.094 10.297 -2.090 1.00 33.45 C ATOM 294 O LEU A 400 -14.718 11.286 -2.484 1.00 52.03 O ATOM 295 CB LEU A 400 -15.806 8.432 -2.452 1.00 44.13 C ATOM 296 CG LEU A 400 -15.176 7.947 -3.797 1.00 30.11 C ATOM 297 CD1 LEU A 400 -14.022 6.954 -3.559 1.00 44.34 C ATOM 298 CD2 LEU A 400 -16.254 7.343 -4.733 1.00 50.31 C ATOM 0 H LEU A 400 -16.604 9.628 -0.398 1.00 21.55 H new ATOM 0 HA LEU A 400 -14.094 8.377 -1.122 1.00 43.03 H new ATOM 0 HB2 LEU A 400 -16.271 7.575 -1.965 1.00 44.13 H new ATOM 0 HB3 LEU A 400 -16.604 9.138 -2.684 1.00 44.13 H new ATOM 0 HG LEU A 400 -14.754 8.821 -4.294 1.00 30.11 H new ATOM 0 HD11 LEU A 400 -13.609 6.639 -4.518 1.00 44.34 H new ATOM 0 HD12 LEU A 400 -13.243 7.437 -2.969 1.00 44.34 H new ATOM 0 HD13 LEU A 400 -14.397 6.083 -3.022 1.00 44.34 H new ATOM 0 HD21 LEU A 400 -15.787 7.014 -5.661 1.00 50.31 H new ATOM 0 HD22 LEU A 400 -16.726 6.492 -4.243 1.00 50.31 H new ATOM 0 HD23 LEU A 400 -17.008 8.098 -4.954 1.00 50.31 H new ATOM 310 N ALA A 401 -12.757 10.183 -2.203 1.00 21.22 N ATOM 311 CA ALA A 401 -11.891 11.234 -2.797 1.00 33.04 C ATOM 312 C ALA A 401 -11.327 10.815 -4.171 1.00 55.22 C ATOM 313 O ALA A 401 -11.174 11.645 -5.076 1.00 72.11 O ATOM 314 CB ALA A 401 -10.742 11.553 -1.832 1.00 63.12 C ATOM 0 H ALA A 401 -12.241 9.362 -1.887 1.00 21.22 H new ATOM 0 HA ALA A 401 -12.503 12.122 -2.957 1.00 33.04 H new ATOM 0 HB1 ALA A 401 -10.106 12.324 -2.266 1.00 63.12 H new ATOM 0 HB2 ALA A 401 -11.150 11.909 -0.886 1.00 63.12 H new ATOM 0 HB3 ALA A 401 -10.153 10.653 -1.657 1.00 63.12 H new ATOM 320 N TRP A 402 -11.016 9.516 -4.314 1.00 54.22 N ATOM 321 CA TRP A 402 -10.360 8.969 -5.527 1.00 25.51 C ATOM 322 C TRP A 402 -10.899 7.564 -5.858 1.00 45.21 C ATOM 323 O TRP A 402 -11.180 6.771 -4.963 1.00 1.23 O ATOM 324 CB TRP A 402 -8.815 8.918 -5.325 1.00 42.41 C ATOM 325 CG TRP A 402 -8.027 8.428 -6.536 1.00 72.14 C ATOM 326 CD1 TRP A 402 -7.600 9.178 -7.601 1.00 44.53 C ATOM 327 CD2 TRP A 402 -7.578 7.078 -6.803 1.00 13.34 C ATOM 328 NE1 TRP A 402 -6.920 8.389 -8.496 1.00 3.51 N ATOM 329 CE2 TRP A 402 -6.897 7.102 -8.031 1.00 52.43 C ATOM 330 CE3 TRP A 402 -7.689 5.857 -6.125 1.00 52.14 C ATOM 331 CZ2 TRP A 402 -6.329 5.961 -8.593 1.00 12.04 C ATOM 332 CZ3 TRP A 402 -7.125 4.727 -6.687 1.00 71.20 C ATOM 333 CH2 TRP A 402 -6.454 4.787 -7.911 1.00 71.44 C ATOM 0 H TRP A 402 -11.208 8.814 -3.600 1.00 54.22 H new ATOM 0 HA TRP A 402 -10.588 9.628 -6.365 1.00 25.51 H new ATOM 0 HB2 TRP A 402 -8.464 9.916 -5.060 1.00 42.41 H new ATOM 0 HB3 TRP A 402 -8.595 8.268 -4.478 1.00 42.41 H new ATOM 0 HD1 TRP A 402 -7.773 10.237 -7.719 1.00 44.53 H new ATOM 0 HE1 TRP A 402 -6.499 8.711 -9.368 1.00 3.51 H new ATOM 0 HE3 TRP A 402 -8.207 5.800 -5.179 1.00 52.14 H new ATOM 0 HZ2 TRP A 402 -5.807 6.005 -9.537 1.00 12.04 H new ATOM 0 HZ3 TRP A 402 -7.204 3.782 -6.171 1.00 71.20 H new ATOM 0 HH2 TRP A 402 -6.026 3.886 -8.325 1.00 71.44 H new ATOM 344 N SER A 403 -11.010 7.270 -7.160 1.00 43.42 N ATOM 345 CA SER A 403 -11.369 5.933 -7.677 1.00 14.34 C ATOM 346 C SER A 403 -10.448 5.580 -8.863 1.00 32.11 C ATOM 347 O SER A 403 -10.024 6.471 -9.609 1.00 42.00 O ATOM 348 CB SER A 403 -12.850 5.898 -8.114 1.00 21.45 C ATOM 349 OG SER A 403 -13.121 6.835 -9.146 1.00 22.32 O ATOM 0 H SER A 403 -10.852 7.958 -7.896 1.00 43.42 H new ATOM 0 HA SER A 403 -11.235 5.196 -6.885 1.00 14.34 H new ATOM 0 HB2 SER A 403 -13.103 4.895 -8.459 1.00 21.45 H new ATOM 0 HB3 SER A 403 -13.487 6.110 -7.255 1.00 21.45 H new ATOM 0 HG SER A 403 -14.067 6.782 -9.396 1.00 22.32 H new ATOM 355 N GLY A 404 -10.129 4.287 -9.020 1.00 43.24 N ATOM 356 CA GLY A 404 -9.223 3.830 -10.079 1.00 51.32 C ATOM 357 C GLY A 404 -8.856 2.358 -9.945 1.00 54.45 C ATOM 358 O GLY A 404 -9.676 1.553 -9.491 1.00 12.50 O ATOM 0 H GLY A 404 -10.487 3.540 -8.425 1.00 43.24 H new ATOM 0 HA2 GLY A 404 -9.692 3.996 -11.049 1.00 51.32 H new ATOM 0 HA3 GLY A 404 -8.313 4.430 -10.057 1.00 51.32 H new ATOM 362 N VAL A 405 -7.632 1.992 -10.361 1.00 62.23 N ATOM 363 CA VAL A 405 -7.141 0.598 -10.293 1.00 13.21 C ATOM 364 C VAL A 405 -5.824 0.511 -9.477 1.00 0.24 C ATOM 365 O VAL A 405 -5.017 1.445 -9.470 1.00 35.22 O ATOM 366 CB VAL A 405 -6.936 -0.010 -11.741 1.00 24.43 C ATOM 367 CG1 VAL A 405 -5.715 0.583 -12.460 1.00 50.42 C ATOM 368 CG2 VAL A 405 -6.888 -1.563 -11.715 1.00 42.11 C ATOM 0 H VAL A 405 -6.955 2.647 -10.752 1.00 62.23 H new ATOM 0 HA VAL A 405 -7.901 0.007 -9.782 1.00 13.21 H new ATOM 0 HB VAL A 405 -7.811 0.278 -12.323 1.00 24.43 H new ATOM 0 HG11 VAL A 405 -5.620 0.132 -13.448 1.00 50.42 H new ATOM 0 HG12 VAL A 405 -5.842 1.661 -12.564 1.00 50.42 H new ATOM 0 HG13 VAL A 405 -4.816 0.377 -11.880 1.00 50.42 H new ATOM 0 HG21 VAL A 405 -6.746 -1.940 -12.728 1.00 42.11 H new ATOM 0 HG22 VAL A 405 -6.060 -1.891 -11.087 1.00 42.11 H new ATOM 0 HG23 VAL A 405 -7.824 -1.949 -11.312 1.00 42.11 H new ATOM 378 N LEU A 406 -5.644 -0.607 -8.763 1.00 41.31 N ATOM 379 CA LEU A 406 -4.392 -0.955 -8.066 1.00 22.21 C ATOM 380 C LEU A 406 -3.853 -2.260 -8.678 1.00 44.51 C ATOM 381 O LEU A 406 -4.578 -3.253 -8.741 1.00 41.45 O ATOM 382 CB LEU A 406 -4.660 -1.149 -6.548 1.00 63.43 C ATOM 383 CG LEU A 406 -3.402 -1.416 -5.663 1.00 1.41 C ATOM 384 CD1 LEU A 406 -2.486 -0.174 -5.603 1.00 23.31 C ATOM 385 CD2 LEU A 406 -3.801 -1.895 -4.248 1.00 1.24 C ATOM 0 H LEU A 406 -6.375 -1.310 -8.649 1.00 41.31 H new ATOM 0 HA LEU A 406 -3.662 -0.154 -8.182 1.00 22.21 H new ATOM 0 HB2 LEU A 406 -5.164 -0.259 -6.171 1.00 63.43 H new ATOM 0 HB3 LEU A 406 -5.351 -1.983 -6.424 1.00 63.43 H new ATOM 0 HG LEU A 406 -2.833 -2.220 -6.131 1.00 1.41 H new ATOM 0 HD11 LEU A 406 -1.619 -0.391 -4.979 1.00 23.31 H new ATOM 0 HD12 LEU A 406 -2.154 0.082 -6.609 1.00 23.31 H new ATOM 0 HD13 LEU A 406 -3.038 0.665 -5.178 1.00 23.31 H new ATOM 0 HD21 LEU A 406 -2.902 -2.072 -3.657 1.00 1.24 H new ATOM 0 HD22 LEU A 406 -4.409 -1.131 -3.763 1.00 1.24 H new ATOM 0 HD23 LEU A 406 -4.373 -2.820 -4.325 1.00 1.24 H new ATOM 397 N GLU A 407 -2.591 -2.258 -9.126 1.00 3.32 N ATOM 398 CA GLU A 407 -1.989 -3.412 -9.831 1.00 14.41 C ATOM 399 C GLU A 407 -0.607 -3.754 -9.255 1.00 24.15 C ATOM 400 O GLU A 407 0.207 -2.862 -9.015 1.00 33.22 O ATOM 401 CB GLU A 407 -1.873 -3.092 -11.339 1.00 61.04 C ATOM 402 CG GLU A 407 -1.250 -4.208 -12.205 1.00 42.32 C ATOM 403 CD GLU A 407 -1.047 -3.776 -13.664 1.00 15.42 C ATOM 404 OE1 GLU A 407 -0.105 -2.991 -13.928 1.00 40.43 O ATOM 405 OE2 GLU A 407 -1.842 -4.168 -14.542 1.00 71.11 O ATOM 0 H GLU A 407 -1.958 -1.466 -9.015 1.00 3.32 H new ATOM 0 HA GLU A 407 -2.634 -4.279 -9.690 1.00 14.41 H new ATOM 0 HB2 GLU A 407 -2.868 -2.869 -11.724 1.00 61.04 H new ATOM 0 HB3 GLU A 407 -1.276 -2.188 -11.457 1.00 61.04 H new ATOM 0 HG2 GLU A 407 -0.290 -4.501 -11.779 1.00 42.32 H new ATOM 0 HG3 GLU A 407 -1.893 -5.088 -12.176 1.00 42.32 H new ATOM 412 N TRP A 408 -0.348 -5.056 -9.071 1.00 44.34 N ATOM 413 CA TRP A 408 0.910 -5.562 -8.503 1.00 52.04 C ATOM 414 C TRP A 408 1.295 -6.931 -9.107 1.00 31.30 C ATOM 415 O TRP A 408 0.533 -7.545 -9.866 1.00 63.13 O ATOM 416 CB TRP A 408 0.776 -5.668 -6.959 1.00 1.40 C ATOM 417 CG TRP A 408 -0.246 -6.684 -6.486 1.00 22.24 C ATOM 418 CD1 TRP A 408 -0.003 -7.975 -6.126 1.00 14.04 C ATOM 419 CD2 TRP A 408 -1.662 -6.496 -6.342 1.00 64.53 C ATOM 420 NE1 TRP A 408 -1.160 -8.591 -5.742 1.00 52.04 N ATOM 421 CE2 TRP A 408 -2.194 -7.705 -5.869 1.00 32.42 C ATOM 422 CE3 TRP A 408 -2.529 -5.417 -6.561 1.00 50.01 C ATOM 423 CZ2 TRP A 408 -3.547 -7.872 -5.611 1.00 62.13 C ATOM 424 CZ3 TRP A 408 -3.875 -5.587 -6.311 1.00 21.34 C ATOM 425 CH2 TRP A 408 -4.367 -6.808 -5.841 1.00 1.43 C ATOM 0 H TRP A 408 -1.010 -5.793 -9.314 1.00 44.34 H new ATOM 0 HA TRP A 408 1.706 -4.861 -8.752 1.00 52.04 H new ATOM 0 HB2 TRP A 408 1.748 -5.927 -6.539 1.00 1.40 H new ATOM 0 HB3 TRP A 408 0.507 -4.689 -6.562 1.00 1.40 H new ATOM 0 HD1 TRP A 408 0.969 -8.446 -6.142 1.00 14.04 H new ATOM 0 HE1 TRP A 408 -1.240 -9.554 -5.414 1.00 52.04 H new ATOM 0 HE3 TRP A 408 -2.151 -4.471 -6.919 1.00 50.01 H new ATOM 0 HZ2 TRP A 408 -3.936 -8.810 -5.242 1.00 62.13 H new ATOM 0 HZ3 TRP A 408 -4.557 -4.767 -6.480 1.00 21.34 H new ATOM 0 HH2 TRP A 408 -5.426 -6.911 -5.655 1.00 1.43 H new ATOM 436 N GLN A 409 2.492 -7.396 -8.731 1.00 0.35 N ATOM 437 CA GLN A 409 2.981 -8.758 -9.026 1.00 2.23 C ATOM 438 C GLN A 409 3.068 -9.560 -7.715 1.00 54.33 C ATOM 439 O GLN A 409 3.651 -9.080 -6.732 1.00 71.25 O ATOM 440 CB GLN A 409 4.376 -8.709 -9.722 1.00 12.20 C ATOM 441 CG GLN A 409 4.384 -8.113 -11.159 1.00 72.32 C ATOM 442 CD GLN A 409 3.952 -9.077 -12.290 1.00 74.34 C ATOM 443 OE1 GLN A 409 3.076 -10.027 -12.024 1.00 44.34 O flip ATOM 444 NE2 GLN A 409 4.418 -8.961 -13.419 1.00 72.14 N flip ATOM 0 H GLN A 409 3.161 -6.833 -8.206 1.00 0.35 H new ATOM 0 HA GLN A 409 2.283 -9.245 -9.707 1.00 2.23 H new ATOM 0 HB2 GLN A 409 5.053 -8.123 -9.100 1.00 12.20 H new ATOM 0 HB3 GLN A 409 4.778 -9.721 -9.765 1.00 12.20 H new ATOM 0 HG2 GLN A 409 3.725 -7.245 -11.176 1.00 72.32 H new ATOM 0 HG3 GLN A 409 5.390 -7.754 -11.378 1.00 72.32 H new ATOM 0 HE21 GLN A 409 5.095 -8.224 -13.618 1.00 72.14 H new ATOM 0 HE22 GLN A 409 4.129 -9.601 -14.158 1.00 72.14 H new ATOM 453 N GLU A 410 2.482 -10.768 -7.700 1.00 33.11 N ATOM 454 CA GLU A 410 2.562 -11.683 -6.545 1.00 70.24 C ATOM 455 C GLU A 410 3.980 -12.289 -6.385 1.00 52.32 C ATOM 456 O GLU A 410 4.831 -12.168 -7.276 1.00 44.13 O ATOM 457 CB GLU A 410 1.512 -12.817 -6.676 1.00 51.51 C ATOM 458 CG GLU A 410 0.042 -12.372 -6.550 1.00 71.12 C ATOM 459 CD GLU A 410 -0.940 -13.564 -6.499 1.00 71.02 C ATOM 460 OE1 GLU A 410 -1.139 -14.136 -5.407 1.00 51.00 O ATOM 461 OE2 GLU A 410 -1.504 -13.946 -7.549 1.00 45.04 O ATOM 0 H GLU A 410 1.942 -11.138 -8.482 1.00 33.11 H new ATOM 0 HA GLU A 410 2.348 -11.096 -5.652 1.00 70.24 H new ATOM 0 HB2 GLU A 410 1.646 -13.303 -7.642 1.00 51.51 H new ATOM 0 HB3 GLU A 410 1.714 -13.567 -5.911 1.00 51.51 H new ATOM 0 HG2 GLU A 410 -0.075 -11.771 -5.648 1.00 71.12 H new ATOM 0 HG3 GLU A 410 -0.213 -11.732 -7.395 1.00 71.12 H new ATOM 649 N LEU A 423 2.274 -13.617 -11.946 1.00 10.02 N ATOM 650 CA LEU A 423 0.972 -13.428 -11.279 1.00 3.04 C ATOM 651 C LEU A 423 0.574 -11.935 -11.170 1.00 70.21 C ATOM 652 O LEU A 423 0.642 -11.317 -10.100 1.00 40.14 O ATOM 653 CB LEU A 423 0.938 -14.168 -9.923 1.00 51.54 C ATOM 654 CG LEU A 423 1.264 -15.692 -9.969 1.00 42.31 C ATOM 655 CD1 LEU A 423 1.199 -16.305 -8.558 1.00 40.12 C ATOM 656 CD2 LEU A 423 0.340 -16.444 -10.956 1.00 51.41 C ATOM 0 HA LEU A 423 0.206 -13.881 -11.908 1.00 3.04 H new ATOM 0 HB2 LEU A 423 1.646 -13.685 -9.250 1.00 51.54 H new ATOM 0 HB3 LEU A 423 -0.053 -14.041 -9.487 1.00 51.54 H new ATOM 0 HG LEU A 423 2.283 -15.804 -10.339 1.00 42.31 H new ATOM 0 HD11 LEU A 423 1.430 -17.369 -8.613 1.00 40.12 H new ATOM 0 HD12 LEU A 423 1.924 -15.809 -7.912 1.00 40.12 H new ATOM 0 HD13 LEU A 423 0.198 -16.171 -8.149 1.00 40.12 H new ATOM 0 HD21 LEU A 423 0.598 -17.503 -10.960 1.00 51.41 H new ATOM 0 HD22 LEU A 423 -0.698 -16.324 -10.646 1.00 51.41 H new ATOM 0 HD23 LEU A 423 0.469 -16.035 -11.958 1.00 51.41 H new ATOM 668 N THR A 424 0.205 -11.362 -12.332 1.00 71.40 N ATOM 669 CA THR A 424 -0.230 -9.949 -12.454 1.00 32.34 C ATOM 670 C THR A 424 -1.689 -9.791 -11.981 1.00 65.31 C ATOM 671 O THR A 424 -2.629 -10.186 -12.682 1.00 60.41 O ATOM 672 CB THR A 424 -0.089 -9.426 -13.931 1.00 2.43 C ATOM 673 OG1 THR A 424 1.258 -9.625 -14.392 1.00 2.42 O ATOM 674 CG2 THR A 424 -0.451 -7.928 -14.058 1.00 54.24 C ATOM 0 H THR A 424 0.199 -11.865 -13.219 1.00 71.40 H new ATOM 0 HA THR A 424 0.422 -9.350 -11.818 1.00 32.34 H new ATOM 0 HB THR A 424 -0.789 -9.994 -14.543 1.00 2.43 H new ATOM 0 HG1 THR A 424 1.828 -9.881 -13.637 1.00 2.42 H new ATOM 0 HG21 THR A 424 -0.338 -7.613 -15.095 1.00 54.24 H new ATOM 0 HG22 THR A 424 -1.483 -7.775 -13.742 1.00 54.24 H new ATOM 0 HG23 THR A 424 0.213 -7.338 -13.426 1.00 54.24 H new ATOM 682 N ARG A 425 -1.871 -9.267 -10.758 1.00 52.15 N ATOM 683 CA ARG A 425 -3.208 -9.020 -10.184 1.00 43.15 C ATOM 684 C ARG A 425 -3.573 -7.523 -10.256 1.00 22.20 C ATOM 685 O ARG A 425 -2.701 -6.656 -10.170 1.00 34.13 O ATOM 686 CB ARG A 425 -3.266 -9.499 -8.714 1.00 11.42 C ATOM 687 CG ARG A 425 -2.913 -10.980 -8.457 1.00 70.52 C ATOM 688 CD ARG A 425 -3.864 -11.985 -9.147 1.00 54.01 C ATOM 689 NE ARG A 425 -3.532 -12.206 -10.572 1.00 33.54 N ATOM 690 CZ ARG A 425 -2.902 -13.258 -11.055 1.00 63.33 C ATOM 691 NH1 ARG A 425 -2.435 -14.182 -10.275 1.00 75.33 N ATOM 692 NH2 ARG A 425 -2.707 -13.359 -12.329 1.00 72.01 N ATOM 0 H ARG A 425 -1.103 -9.003 -10.141 1.00 52.15 H new ATOM 0 HA ARG A 425 -3.931 -9.585 -10.773 1.00 43.15 H new ATOM 0 HB2 ARG A 425 -2.588 -8.880 -8.127 1.00 11.42 H new ATOM 0 HB3 ARG A 425 -4.272 -9.318 -8.336 1.00 11.42 H new ATOM 0 HG2 ARG A 425 -1.895 -11.165 -8.801 1.00 70.52 H new ATOM 0 HG3 ARG A 425 -2.925 -11.164 -7.383 1.00 70.52 H new ATOM 0 HD2 ARG A 425 -3.824 -12.937 -8.618 1.00 54.01 H new ATOM 0 HD3 ARG A 425 -4.888 -11.620 -9.070 1.00 54.01 H new ATOM 0 HE ARG A 425 -3.814 -11.484 -11.235 1.00 33.54 H new ATOM 0 HH11 ARG A 425 -2.552 -14.104 -9.265 1.00 75.33 H new ATOM 0 HH12 ARG A 425 -1.951 -14.987 -10.672 1.00 75.33 H new ATOM 0 HH21 ARG A 425 -3.040 -12.626 -12.956 1.00 72.01 H new ATOM 0 HH22 ARG A 425 -2.220 -14.171 -12.708 1.00 72.01 H new ATOM 706 N SER A 426 -4.881 -7.243 -10.376 1.00 24.13 N ATOM 707 CA SER A 426 -5.416 -5.867 -10.453 1.00 75.43 C ATOM 708 C SER A 426 -6.837 -5.813 -9.852 1.00 43.41 C ATOM 709 O SER A 426 -7.613 -6.767 -9.988 1.00 52.02 O ATOM 710 CB SER A 426 -5.426 -5.358 -11.917 1.00 1.43 C ATOM 711 OG SER A 426 -6.341 -6.087 -12.725 1.00 52.10 O ATOM 0 H SER A 426 -5.601 -7.963 -10.423 1.00 24.13 H new ATOM 0 HA SER A 426 -4.765 -5.213 -9.873 1.00 75.43 H new ATOM 0 HB2 SER A 426 -5.691 -4.301 -11.932 1.00 1.43 H new ATOM 0 HB3 SER A 426 -4.424 -5.442 -12.337 1.00 1.43 H new ATOM 0 HG SER A 426 -6.321 -5.737 -13.640 1.00 52.10 H new ATOM 717 N LEU A 427 -7.168 -4.691 -9.189 1.00 55.21 N ATOM 718 CA LEU A 427 -8.453 -4.511 -8.459 1.00 61.24 C ATOM 719 C LEU A 427 -8.975 -3.053 -8.569 1.00 51.14 C ATOM 720 O LEU A 427 -8.176 -2.117 -8.556 1.00 22.25 O ATOM 721 CB LEU A 427 -8.267 -4.899 -6.959 1.00 53.25 C ATOM 722 CG LEU A 427 -8.341 -6.424 -6.633 1.00 2.32 C ATOM 723 CD1 LEU A 427 -7.834 -6.727 -5.215 1.00 31.21 C ATOM 724 CD2 LEU A 427 -9.781 -6.950 -6.815 1.00 21.02 C ATOM 0 H LEU A 427 -6.556 -3.877 -9.139 1.00 55.21 H new ATOM 0 HA LEU A 427 -9.195 -5.165 -8.918 1.00 61.24 H new ATOM 0 HB2 LEU A 427 -7.301 -4.522 -6.624 1.00 53.25 H new ATOM 0 HB3 LEU A 427 -9.030 -4.385 -6.374 1.00 53.25 H new ATOM 0 HG LEU A 427 -7.687 -6.941 -7.335 1.00 2.32 H new ATOM 0 HD11 LEU A 427 -7.901 -7.798 -5.026 1.00 31.21 H new ATOM 0 HD12 LEU A 427 -6.796 -6.407 -5.124 1.00 31.21 H new ATOM 0 HD13 LEU A 427 -8.444 -6.191 -4.488 1.00 31.21 H new ATOM 0 HD21 LEU A 427 -9.812 -8.015 -6.583 1.00 21.02 H new ATOM 0 HD22 LEU A 427 -10.452 -6.413 -6.144 1.00 21.02 H new ATOM 0 HD23 LEU A 427 -10.098 -6.794 -7.846 1.00 21.02 H new ATOM 736 N PRO A 428 -10.330 -2.843 -8.671 1.00 45.12 N ATOM 737 CA PRO A 428 -10.938 -1.482 -8.651 1.00 64.55 C ATOM 738 C PRO A 428 -10.853 -0.832 -7.242 1.00 14.24 C ATOM 739 O PRO A 428 -11.709 -1.062 -6.389 1.00 12.04 O ATOM 740 CB PRO A 428 -12.408 -1.745 -9.088 1.00 73.05 C ATOM 741 CG PRO A 428 -12.678 -3.159 -8.653 1.00 4.02 C ATOM 742 CD PRO A 428 -11.369 -3.902 -8.838 1.00 20.43 C ATOM 0 HA PRO A 428 -10.425 -0.775 -9.303 1.00 64.55 H new ATOM 0 HB2 PRO A 428 -13.095 -1.045 -8.613 1.00 73.05 H new ATOM 0 HB3 PRO A 428 -12.529 -1.630 -10.165 1.00 73.05 H new ATOM 0 HG2 PRO A 428 -13.004 -3.193 -7.614 1.00 4.02 H new ATOM 0 HG3 PRO A 428 -13.471 -3.608 -9.251 1.00 4.02 H new ATOM 0 HD2 PRO A 428 -11.252 -4.696 -8.101 1.00 20.43 H new ATOM 0 HD3 PRO A 428 -11.310 -4.369 -9.821 1.00 20.43 H new ATOM 750 N CYS A 429 -9.823 0.003 -7.017 1.00 22.11 N ATOM 751 CA CYS A 429 -9.506 0.546 -5.674 1.00 24.53 C ATOM 752 C CYS A 429 -9.964 2.010 -5.540 1.00 73.10 C ATOM 753 O CYS A 429 -9.900 2.796 -6.491 1.00 65.43 O ATOM 754 CB CYS A 429 -7.992 0.448 -5.404 1.00 41.04 C ATOM 755 SG CYS A 429 -6.975 1.400 -6.551 1.00 44.22 S ATOM 0 H CYS A 429 -9.189 0.321 -7.750 1.00 22.11 H new ATOM 0 HA CYS A 429 -10.045 -0.050 -4.938 1.00 24.53 H new ATOM 0 HB2 CYS A 429 -7.792 0.790 -4.388 1.00 41.04 H new ATOM 0 HB3 CYS A 429 -7.692 -0.599 -5.453 1.00 41.04 H new ATOM 0 HG CYS A 429 -7.616 2.471 -6.913 1.00 44.22 H new ATOM 761 N GLN A 430 -10.443 2.351 -4.335 1.00 33.22 N ATOM 762 CA GLN A 430 -11.019 3.671 -4.009 1.00 22.43 C ATOM 763 C GLN A 430 -10.348 4.242 -2.740 1.00 21.51 C ATOM 764 O GLN A 430 -10.354 3.589 -1.694 1.00 41.01 O ATOM 765 CB GLN A 430 -12.548 3.524 -3.758 1.00 62.13 C ATOM 766 CG GLN A 430 -13.378 3.007 -4.953 1.00 62.53 C ATOM 767 CD GLN A 430 -14.856 2.755 -4.601 1.00 63.33 C ATOM 768 OE1 GLN A 430 -15.191 2.390 -3.478 1.00 73.15 O ATOM 769 NE2 GLN A 430 -15.749 2.953 -5.554 1.00 53.12 N ATOM 0 H GLN A 430 -10.443 1.708 -3.543 1.00 33.22 H new ATOM 0 HA GLN A 430 -10.846 4.349 -4.844 1.00 22.43 H new ATOM 0 HB2 GLN A 430 -12.696 2.846 -2.917 1.00 62.13 H new ATOM 0 HB3 GLN A 430 -12.943 4.495 -3.458 1.00 62.13 H new ATOM 0 HG2 GLN A 430 -13.323 3.731 -5.766 1.00 62.53 H new ATOM 0 HG3 GLN A 430 -12.936 2.081 -5.321 1.00 62.53 H new ATOM 0 HE21 GLN A 430 -15.448 3.256 -6.480 1.00 53.12 H new ATOM 0 HE22 GLN A 430 -16.740 2.803 -5.364 1.00 53.12 H new ATOM 778 N VAL A 431 -9.778 5.460 -2.822 1.00 2.32 N ATOM 779 CA VAL A 431 -9.207 6.141 -1.639 1.00 32.43 C ATOM 780 C VAL A 431 -10.297 6.962 -0.911 1.00 52.32 C ATOM 781 O VAL A 431 -10.778 7.987 -1.413 1.00 33.51 O ATOM 782 CB VAL A 431 -7.985 7.060 -2.022 1.00 73.35 C ATOM 783 CG1 VAL A 431 -7.434 7.836 -0.791 1.00 41.43 C ATOM 784 CG2 VAL A 431 -6.869 6.219 -2.685 1.00 51.42 C ATOM 0 H VAL A 431 -9.700 5.992 -3.689 1.00 2.32 H new ATOM 0 HA VAL A 431 -8.835 5.370 -0.964 1.00 32.43 H new ATOM 0 HB VAL A 431 -8.340 7.802 -2.737 1.00 73.35 H new ATOM 0 HG11 VAL A 431 -6.593 8.457 -1.099 1.00 41.43 H new ATOM 0 HG12 VAL A 431 -8.220 8.468 -0.378 1.00 41.43 H new ATOM 0 HG13 VAL A 431 -7.103 7.127 -0.032 1.00 41.43 H new ATOM 0 HG21 VAL A 431 -6.031 6.866 -2.944 1.00 51.42 H new ATOM 0 HG22 VAL A 431 -6.532 5.450 -1.990 1.00 51.42 H new ATOM 0 HG23 VAL A 431 -7.257 5.748 -3.588 1.00 51.42 H new ATOM 794 N TYR A 432 -10.698 6.463 0.268 1.00 63.33 N ATOM 795 CA TYR A 432 -11.614 7.152 1.192 1.00 40.40 C ATOM 796 C TYR A 432 -10.831 7.968 2.246 1.00 20.15 C ATOM 797 O TYR A 432 -10.005 7.430 2.997 1.00 12.11 O ATOM 798 CB TYR A 432 -12.567 6.129 1.872 1.00 24.12 C ATOM 799 CG TYR A 432 -13.721 5.677 0.963 1.00 14.52 C ATOM 800 CD1 TYR A 432 -13.506 4.791 -0.093 1.00 4.21 C ATOM 801 CD2 TYR A 432 -15.020 6.165 1.146 1.00 65.41 C ATOM 802 CE1 TYR A 432 -14.542 4.409 -0.924 1.00 53.01 C ATOM 803 CE2 TYR A 432 -16.055 5.787 0.311 1.00 3.22 C ATOM 804 CZ TYR A 432 -15.811 4.908 -0.720 1.00 45.45 C ATOM 805 OH TYR A 432 -16.839 4.534 -1.559 1.00 4.31 O ATOM 0 H TYR A 432 -10.390 5.554 0.613 1.00 63.33 H new ATOM 0 HA TYR A 432 -12.218 7.853 0.616 1.00 40.40 H new ATOM 0 HB2 TYR A 432 -11.992 5.255 2.179 1.00 24.12 H new ATOM 0 HB3 TYR A 432 -12.980 6.573 2.778 1.00 24.12 H new ATOM 0 HD1 TYR A 432 -12.515 4.398 -0.264 1.00 4.21 H new ATOM 0 HD2 TYR A 432 -15.218 6.851 1.956 1.00 65.41 H new ATOM 0 HE1 TYR A 432 -14.357 3.719 -1.734 1.00 53.01 H new ATOM 0 HE2 TYR A 432 -17.049 6.179 0.467 1.00 3.22 H new ATOM 0 HH TYR A 432 -16.508 3.881 -2.211 1.00 4.31 H new ATOM 815 N VAL A 433 -11.106 9.275 2.262 1.00 75.23 N ATOM 816 CA VAL A 433 -10.556 10.240 3.235 1.00 33.54 C ATOM 817 C VAL A 433 -11.610 10.621 4.289 1.00 23.24 C ATOM 818 O VAL A 433 -12.741 10.149 4.254 1.00 71.34 O ATOM 819 CB VAL A 433 -10.087 11.549 2.507 1.00 12.11 C ATOM 820 CG1 VAL A 433 -8.817 11.326 1.668 1.00 1.01 C ATOM 821 CG2 VAL A 433 -11.243 12.141 1.655 1.00 50.42 C ATOM 0 H VAL A 433 -11.733 9.709 1.584 1.00 75.23 H new ATOM 0 HA VAL A 433 -9.708 9.761 3.724 1.00 33.54 H new ATOM 0 HB VAL A 433 -9.822 12.277 3.274 1.00 12.11 H new ATOM 0 HG11 VAL A 433 -8.532 12.260 1.184 1.00 1.01 H new ATOM 0 HG12 VAL A 433 -8.007 10.991 2.316 1.00 1.01 H new ATOM 0 HG13 VAL A 433 -9.011 10.568 0.909 1.00 1.01 H new ATOM 0 HG21 VAL A 433 -10.900 13.048 1.157 1.00 50.42 H new ATOM 0 HG22 VAL A 433 -11.554 11.412 0.907 1.00 50.42 H new ATOM 0 HG23 VAL A 433 -12.087 12.379 2.302 1.00 50.42 H new ATOM 831 N ASN A 434 -11.232 11.524 5.201 1.00 13.21 N ATOM 832 CA ASN A 434 -12.163 12.091 6.199 1.00 5.41 C ATOM 833 C ASN A 434 -13.156 13.092 5.534 1.00 14.24 C ATOM 834 O ASN A 434 -13.011 13.446 4.356 1.00 61.34 O ATOM 835 CB ASN A 434 -11.356 12.800 7.316 1.00 13.11 C ATOM 836 CG ASN A 434 -10.352 11.876 8.006 1.00 43.21 C ATOM 837 OD1 ASN A 434 -9.201 11.755 7.588 1.00 55.31 O ATOM 838 ND2 ASN A 434 -10.782 11.200 9.058 1.00 3.42 N ATOM 0 H ASN A 434 -10.280 11.884 5.273 1.00 13.21 H new ATOM 0 HA ASN A 434 -12.746 11.278 6.632 1.00 5.41 H new ATOM 0 HB2 ASN A 434 -10.825 13.650 6.889 1.00 13.11 H new ATOM 0 HB3 ASN A 434 -12.047 13.197 8.060 1.00 13.11 H new ATOM 0 HD21 ASN A 434 -10.154 10.559 9.544 1.00 3.42 H new ATOM 0 HD22 ASN A 434 -11.741 11.319 9.384 1.00 3.42 H new ATOM 884 N ASN A 438 -8.341 18.173 3.466 1.00 71.34 N ATOM 885 CA ASN A 438 -7.527 19.226 2.760 1.00 1.20 C ATOM 886 C ASN A 438 -6.785 18.629 1.513 1.00 30.25 C ATOM 887 O ASN A 438 -5.851 19.234 0.977 1.00 15.12 O ATOM 888 CB ASN A 438 -6.493 19.885 3.740 1.00 34.24 C ATOM 889 CG ASN A 438 -5.898 21.206 3.237 1.00 1.41 C ATOM 890 OD1 ASN A 438 -6.552 21.969 2.534 1.00 13.42 O ATOM 891 ND2 ASN A 438 -4.655 21.485 3.585 1.00 21.51 N ATOM 0 HA ASN A 438 -8.217 19.995 2.412 1.00 1.20 H new ATOM 0 HB2 ASN A 438 -6.981 20.062 4.699 1.00 34.24 H new ATOM 0 HB3 ASN A 438 -5.681 19.180 3.920 1.00 34.24 H new ATOM 0 HD21 ASN A 438 -4.219 22.351 3.268 1.00 21.51 H new ATOM 0 HD22 ASN A 438 -4.131 20.835 4.171 1.00 21.51 H new ATOM 898 N LEU A 439 -7.224 17.454 1.042 1.00 63.21 N ATOM 899 CA LEU A 439 -6.581 16.723 -0.081 1.00 20.24 C ATOM 900 C LEU A 439 -7.402 16.900 -1.373 1.00 54.30 C ATOM 901 O LEU A 439 -8.562 16.474 -1.457 1.00 2.24 O ATOM 902 CB LEU A 439 -6.463 15.227 0.304 1.00 11.22 C ATOM 903 CG LEU A 439 -5.791 14.258 -0.703 1.00 25.24 C ATOM 904 CD1 LEU A 439 -4.304 14.613 -0.940 1.00 12.32 C ATOM 905 CD2 LEU A 439 -5.972 12.800 -0.213 1.00 13.00 C ATOM 0 H LEU A 439 -8.038 16.974 1.425 1.00 63.21 H new ATOM 0 HA LEU A 439 -5.585 17.125 -0.267 1.00 20.24 H new ATOM 0 HB2 LEU A 439 -5.910 15.168 1.241 1.00 11.22 H new ATOM 0 HB3 LEU A 439 -7.468 14.855 0.503 1.00 11.22 H new ATOM 0 HG LEU A 439 -6.281 14.362 -1.671 1.00 25.24 H new ATOM 0 HD11 LEU A 439 -3.871 13.910 -1.652 1.00 12.32 H new ATOM 0 HD12 LEU A 439 -4.231 15.625 -1.339 1.00 12.32 H new ATOM 0 HD13 LEU A 439 -3.761 14.555 0.003 1.00 12.32 H new ATOM 0 HD21 LEU A 439 -5.500 12.117 -0.920 1.00 13.00 H new ATOM 0 HD22 LEU A 439 -5.508 12.685 0.767 1.00 13.00 H new ATOM 0 HD23 LEU A 439 -7.035 12.570 -0.141 1.00 13.00 H new ATOM 917 N LYS A 440 -6.781 17.555 -2.361 1.00 3.31 N ATOM 918 CA LYS A 440 -7.383 17.815 -3.689 1.00 11.42 C ATOM 919 C LYS A 440 -7.655 16.531 -4.508 1.00 23.01 C ATOM 920 O LYS A 440 -8.576 16.516 -5.309 1.00 23.31 O ATOM 921 CB LYS A 440 -6.444 18.734 -4.517 1.00 20.11 C ATOM 922 CG LYS A 440 -5.003 18.184 -4.676 1.00 60.11 C ATOM 923 CD LYS A 440 -4.150 18.958 -5.702 1.00 34.34 C ATOM 924 CE LYS A 440 -3.979 20.450 -5.364 1.00 60.05 C ATOM 925 NZ LYS A 440 -3.063 21.136 -6.315 1.00 72.30 N ATOM 0 H LYS A 440 -5.836 17.927 -2.267 1.00 3.31 H new ATOM 0 HA LYS A 440 -8.345 18.291 -3.498 1.00 11.42 H new ATOM 0 HB2 LYS A 440 -6.877 18.882 -5.506 1.00 20.11 H new ATOM 0 HB3 LYS A 440 -6.398 19.713 -4.040 1.00 20.11 H new ATOM 0 HG2 LYS A 440 -4.504 18.213 -3.707 1.00 60.11 H new ATOM 0 HG3 LYS A 440 -5.055 17.138 -4.976 1.00 60.11 H new ATOM 0 HD2 LYS A 440 -3.166 18.494 -5.767 1.00 34.34 H new ATOM 0 HD3 LYS A 440 -4.610 18.868 -6.686 1.00 34.34 H new ATOM 0 HE2 LYS A 440 -4.953 20.940 -5.382 1.00 60.05 H new ATOM 0 HE3 LYS A 440 -3.590 20.550 -4.351 1.00 60.05 H new ATOM 0 HZ1 LYS A 440 -2.976 22.138 -6.051 1.00 72.30 H new ATOM 0 HZ2 LYS A 440 -2.126 20.686 -6.280 1.00 72.30 H new ATOM 0 HZ3 LYS A 440 -3.446 21.064 -7.279 1.00 72.30 H new ATOM 939 N THR A 441 -6.850 15.468 -4.274 1.00 50.53 N ATOM 940 CA THR A 441 -6.658 14.342 -5.228 1.00 64.53 C ATOM 941 C THR A 441 -6.363 14.874 -6.665 1.00 21.14 C ATOM 942 O THR A 441 -5.208 15.206 -6.939 1.00 30.51 O ATOM 943 CB THR A 441 -7.798 13.248 -5.197 1.00 45.14 C ATOM 944 OG1 THR A 441 -9.083 13.813 -5.522 1.00 74.23 O ATOM 945 CG2 THR A 441 -7.871 12.555 -3.821 1.00 23.11 C ATOM 0 H THR A 441 -6.311 15.364 -3.414 1.00 50.53 H new ATOM 0 HA THR A 441 -5.777 13.802 -4.881 1.00 64.53 H new ATOM 0 HB THR A 441 -7.543 12.506 -5.953 1.00 45.14 H new ATOM 0 HG1 THR A 441 -9.019 14.791 -5.525 1.00 74.23 H new ATOM 0 HG21 THR A 441 -8.665 11.808 -3.832 1.00 23.11 H new ATOM 0 HG22 THR A 441 -6.919 12.070 -3.607 1.00 23.11 H new ATOM 0 HG23 THR A 441 -8.081 13.297 -3.051 1.00 23.11 H new ATOM 953 N GLU A 442 -7.409 14.994 -7.530 1.00 52.42 N ATOM 954 CA GLU A 442 -7.359 15.704 -8.847 1.00 30.55 C ATOM 955 C GLU A 442 -6.217 15.203 -9.790 1.00 60.53 C ATOM 956 O GLU A 442 -6.451 14.424 -10.718 1.00 75.35 O ATOM 957 CB GLU A 442 -7.242 17.242 -8.603 1.00 44.54 C ATOM 958 CG GLU A 442 -7.378 18.124 -9.864 1.00 53.13 C ATOM 959 CD GLU A 442 -7.016 19.597 -9.601 1.00 24.10 C ATOM 960 OE1 GLU A 442 -5.811 19.915 -9.591 1.00 0.10 O ATOM 961 OE2 GLU A 442 -7.922 20.438 -9.400 1.00 33.54 O ATOM 0 H GLU A 442 -8.326 14.595 -7.331 1.00 52.42 H new ATOM 0 HA GLU A 442 -8.289 15.475 -9.368 1.00 30.55 H new ATOM 0 HB2 GLU A 442 -8.009 17.539 -7.888 1.00 44.54 H new ATOM 0 HB3 GLU A 442 -6.277 17.447 -8.139 1.00 44.54 H new ATOM 0 HG2 GLU A 442 -6.733 17.730 -10.649 1.00 53.13 H new ATOM 0 HG3 GLU A 442 -8.402 18.066 -10.234 1.00 53.13 H new ATOM 968 N GLN A 443 -4.978 15.669 -9.515 1.00 21.13 N ATOM 969 CA GLN A 443 -3.753 15.285 -10.247 1.00 34.11 C ATOM 970 C GLN A 443 -3.397 13.779 -10.098 1.00 22.33 C ATOM 971 O GLN A 443 -2.608 13.253 -10.895 1.00 23.03 O ATOM 972 CB GLN A 443 -2.567 16.156 -9.751 1.00 0.13 C ATOM 973 CG GLN A 443 -2.294 16.067 -8.230 1.00 25.34 C ATOM 974 CD GLN A 443 -1.110 16.915 -7.775 1.00 72.14 C ATOM 975 OE1 GLN A 443 -1.259 18.078 -7.402 1.00 31.11 O ATOM 976 NE2 GLN A 443 0.076 16.354 -7.821 1.00 51.15 N ATOM 0 H GLN A 443 -4.800 16.335 -8.763 1.00 21.13 H new ATOM 0 HA GLN A 443 -3.944 15.457 -11.306 1.00 34.11 H new ATOM 0 HB2 GLN A 443 -1.666 15.858 -10.287 1.00 0.13 H new ATOM 0 HB3 GLN A 443 -2.763 17.196 -10.011 1.00 0.13 H new ATOM 0 HG2 GLN A 443 -3.186 16.383 -7.689 1.00 25.34 H new ATOM 0 HG3 GLN A 443 -2.110 15.027 -7.962 1.00 25.34 H new ATOM 0 HE21 GLN A 443 0.171 15.388 -8.134 1.00 51.15 H new ATOM 0 HE22 GLN A 443 0.902 16.884 -7.543 1.00 51.15 H new ATOM 985 N TRP A 444 -3.958 13.116 -9.064 1.00 4.45 N ATOM 986 CA TRP A 444 -3.758 11.666 -8.805 1.00 2.15 C ATOM 987 C TRP A 444 -4.129 10.805 -10.051 1.00 61.24 C ATOM 988 O TRP A 444 -5.288 10.836 -10.493 1.00 53.54 O ATOM 989 CB TRP A 444 -4.611 11.209 -7.590 1.00 73.04 C ATOM 990 CG TRP A 444 -4.127 11.661 -6.229 1.00 52.42 C ATOM 991 CD1 TRP A 444 -3.431 12.797 -5.912 1.00 3.21 C ATOM 992 CD2 TRP A 444 -4.331 10.965 -4.992 1.00 34.34 C ATOM 993 NE1 TRP A 444 -3.220 12.856 -4.557 1.00 35.20 N ATOM 994 CE2 TRP A 444 -3.753 11.737 -3.974 1.00 61.33 C ATOM 995 CE3 TRP A 444 -4.957 9.762 -4.654 1.00 50.54 C ATOM 996 CZ2 TRP A 444 -3.783 11.349 -2.640 1.00 33.22 C ATOM 997 CZ3 TRP A 444 -4.976 9.373 -3.330 1.00 44.01 C ATOM 998 CH2 TRP A 444 -4.395 10.166 -2.335 1.00 72.12 C ATOM 0 H TRP A 444 -4.565 13.569 -8.381 1.00 4.45 H new ATOM 0 HA TRP A 444 -2.701 11.518 -8.586 1.00 2.15 H new ATOM 0 HB2 TRP A 444 -5.629 11.572 -7.730 1.00 73.04 H new ATOM 0 HB3 TRP A 444 -4.657 10.120 -7.593 1.00 73.04 H new ATOM 0 HD1 TRP A 444 -3.097 13.538 -6.624 1.00 3.21 H new ATOM 0 HE1 TRP A 444 -2.743 13.611 -4.064 1.00 35.20 H new ATOM 0 HE3 TRP A 444 -5.417 9.148 -5.414 1.00 50.54 H new ATOM 0 HZ2 TRP A 444 -3.338 11.962 -1.870 1.00 33.22 H new ATOM 0 HZ3 TRP A 444 -5.448 8.440 -3.058 1.00 44.01 H new ATOM 0 HH2 TRP A 444 -4.431 9.837 -1.307 1.00 72.12 H new ATOM 1009 N PRO A 445 -3.142 10.051 -10.646 1.00 60.42 N ATOM 1010 CA PRO A 445 -3.383 9.146 -11.814 1.00 51.02 C ATOM 1011 C PRO A 445 -4.512 8.114 -11.567 1.00 60.33 C ATOM 1012 O PRO A 445 -4.673 7.640 -10.448 1.00 52.31 O ATOM 1013 CB PRO A 445 -2.014 8.425 -12.005 1.00 32.24 C ATOM 1014 CG PRO A 445 -1.254 8.685 -10.736 1.00 61.01 C ATOM 1015 CD PRO A 445 -1.710 10.035 -10.255 1.00 63.34 C ATOM 0 HA PRO A 445 -3.715 9.706 -12.688 1.00 51.02 H new ATOM 0 HB2 PRO A 445 -2.151 7.356 -12.170 1.00 32.24 H new ATOM 0 HB3 PRO A 445 -1.480 8.816 -12.871 1.00 32.24 H new ATOM 0 HG2 PRO A 445 -1.459 7.915 -9.992 1.00 61.01 H new ATOM 0 HG3 PRO A 445 -0.179 8.676 -10.915 1.00 61.01 H new ATOM 0 HD2 PRO A 445 -1.583 10.146 -9.178 1.00 63.34 H new ATOM 0 HD3 PRO A 445 -1.152 10.843 -10.727 1.00 63.34 H new ATOM 1023 N GLN A 446 -5.262 7.765 -12.634 1.00 11.23 N ATOM 1024 CA GLN A 446 -6.345 6.747 -12.573 1.00 44.34 C ATOM 1025 C GLN A 446 -5.803 5.322 -12.273 1.00 73.30 C ATOM 1026 O GLN A 446 -6.533 4.457 -11.786 1.00 33.21 O ATOM 1027 CB GLN A 446 -7.141 6.718 -13.909 1.00 64.14 C ATOM 1028 CG GLN A 446 -6.295 6.374 -15.167 1.00 52.53 C ATOM 1029 CD GLN A 446 -7.110 5.973 -16.404 1.00 32.13 C ATOM 1030 OE1 GLN A 446 -8.189 5.238 -16.204 1.00 1.24 O flip ATOM 1031 NE2 GLN A 446 -6.733 6.259 -17.536 1.00 1.43 N flip ATOM 0 H GLN A 446 -5.139 8.176 -13.560 1.00 11.23 H new ATOM 0 HA GLN A 446 -7.001 7.039 -11.753 1.00 44.34 H new ATOM 0 HB2 GLN A 446 -7.946 5.989 -13.820 1.00 64.14 H new ATOM 0 HB3 GLN A 446 -7.608 7.692 -14.058 1.00 64.14 H new ATOM 0 HG2 GLN A 446 -5.679 7.237 -15.420 1.00 52.53 H new ATOM 0 HG3 GLN A 446 -5.615 5.559 -14.918 1.00 52.53 H new ATOM 0 HE21 GLN A 446 -5.897 6.828 -17.666 1.00 1.43 H new ATOM 0 HE22 GLN A 446 -7.256 5.928 -18.347 1.00 1.43 H new ATOM 1040 N LYS A 447 -4.518 5.095 -12.590 1.00 41.23 N ATOM 1041 CA LYS A 447 -3.868 3.778 -12.480 1.00 75.23 C ATOM 1042 C LYS A 447 -2.679 3.841 -11.493 1.00 73.51 C ATOM 1043 O LYS A 447 -1.751 4.638 -11.669 1.00 23.30 O ATOM 1044 CB LYS A 447 -3.447 3.309 -13.911 1.00 71.22 C ATOM 1045 CG LYS A 447 -2.782 1.907 -14.023 1.00 2.41 C ATOM 1046 CD LYS A 447 -1.239 1.934 -13.898 1.00 4.25 C ATOM 1047 CE LYS A 447 -0.615 0.532 -13.999 1.00 72.04 C ATOM 1048 NZ LYS A 447 -1.082 -0.365 -12.912 1.00 62.54 N ATOM 0 H LYS A 447 -3.895 5.826 -12.933 1.00 41.23 H new ATOM 0 HA LYS A 447 -4.560 3.041 -12.072 1.00 75.23 H new ATOM 0 HB2 LYS A 447 -4.334 3.316 -14.545 1.00 71.22 H new ATOM 0 HB3 LYS A 447 -2.756 4.046 -14.320 1.00 71.22 H new ATOM 0 HG2 LYS A 447 -3.189 1.260 -13.246 1.00 2.41 H new ATOM 0 HG3 LYS A 447 -3.052 1.463 -14.981 1.00 2.41 H new ATOM 0 HD2 LYS A 447 -0.825 2.569 -14.681 1.00 4.25 H new ATOM 0 HD3 LYS A 447 -0.963 2.383 -12.944 1.00 4.25 H new ATOM 0 HE2 LYS A 447 -0.866 0.092 -14.964 1.00 72.04 H new ATOM 0 HE3 LYS A 447 0.471 0.615 -13.959 1.00 72.04 H new ATOM 0 HZ1 LYS A 447 -0.574 -1.271 -12.967 1.00 62.54 H new ATOM 0 HZ2 LYS A 447 -0.896 0.080 -11.991 1.00 62.54 H new ATOM 0 HZ3 LYS A 447 -2.103 -0.534 -13.016 1.00 62.54 H new ATOM 1062 N LEU A 448 -2.729 2.985 -10.451 1.00 41.12 N ATOM 1063 CA LEU A 448 -1.670 2.877 -9.419 1.00 23.53 C ATOM 1064 C LEU A 448 -0.915 1.532 -9.514 1.00 61.34 C ATOM 1065 O LEU A 448 -1.467 0.500 -9.926 1.00 45.21 O ATOM 1066 CB LEU A 448 -2.270 3.064 -7.992 1.00 40.41 C ATOM 1067 CG LEU A 448 -2.833 4.482 -7.662 1.00 14.40 C ATOM 1068 CD1 LEU A 448 -3.294 4.579 -6.187 1.00 70.13 C ATOM 1069 CD2 LEU A 448 -1.815 5.590 -8.013 1.00 12.42 C ATOM 0 H LEU A 448 -3.508 2.345 -10.299 1.00 41.12 H new ATOM 0 HA LEU A 448 -0.951 3.675 -9.605 1.00 23.53 H new ATOM 0 HB2 LEU A 448 -3.072 2.338 -7.859 1.00 40.41 H new ATOM 0 HB3 LEU A 448 -1.498 2.823 -7.261 1.00 40.41 H new ATOM 0 HG LEU A 448 -3.712 4.639 -8.288 1.00 14.40 H new ATOM 0 HD11 LEU A 448 -3.680 5.579 -5.992 1.00 70.13 H new ATOM 0 HD12 LEU A 448 -4.078 3.845 -6.002 1.00 70.13 H new ATOM 0 HD13 LEU A 448 -2.449 4.381 -5.528 1.00 70.13 H new ATOM 0 HD21 LEU A 448 -2.240 6.564 -7.771 1.00 12.42 H new ATOM 0 HD22 LEU A 448 -0.901 5.439 -7.439 1.00 12.42 H new ATOM 0 HD23 LEU A 448 -1.585 5.549 -9.078 1.00 12.42 H new ATOM 1081 N ILE A 449 0.378 1.578 -9.144 1.00 43.12 N ATOM 1082 CA ILE A 449 1.283 0.408 -9.095 1.00 10.22 C ATOM 1083 C ILE A 449 1.622 0.115 -7.615 1.00 62.41 C ATOM 1084 O ILE A 449 1.819 1.047 -6.833 1.00 4.50 O ATOM 1085 CB ILE A 449 2.631 0.643 -9.912 1.00 21.35 C ATOM 1086 CG1 ILE A 449 2.365 0.974 -11.428 1.00 71.32 C ATOM 1087 CG2 ILE A 449 3.580 -0.584 -9.795 1.00 65.11 C ATOM 1088 CD1 ILE A 449 1.821 2.364 -11.718 1.00 10.44 C ATOM 0 H ILE A 449 0.835 2.446 -8.864 1.00 43.12 H new ATOM 0 HA ILE A 449 0.772 -0.436 -9.559 1.00 10.22 H new ATOM 0 HB ILE A 449 3.115 1.511 -9.464 1.00 21.35 H new ATOM 0 HG12 ILE A 449 3.298 0.848 -11.977 1.00 71.32 H new ATOM 0 HG13 ILE A 449 1.662 0.240 -11.822 1.00 71.32 H new ATOM 0 HG21 ILE A 449 4.491 -0.395 -10.362 1.00 65.11 H new ATOM 0 HG22 ILE A 449 3.833 -0.750 -8.748 1.00 65.11 H new ATOM 0 HG23 ILE A 449 3.082 -1.468 -10.193 1.00 65.11 H new ATOM 0 HD11 ILE A 449 1.676 2.481 -12.792 1.00 10.44 H new ATOM 0 HD12 ILE A 449 0.867 2.495 -11.207 1.00 10.44 H new ATOM 0 HD13 ILE A 449 2.529 3.113 -11.363 1.00 10.44 H new ATOM 1100 N MET A 450 1.703 -1.172 -7.238 1.00 22.32 N ATOM 1101 CA MET A 450 1.995 -1.588 -5.850 1.00 4.03 C ATOM 1102 C MET A 450 3.163 -2.601 -5.808 1.00 65.13 C ATOM 1103 O MET A 450 3.316 -3.430 -6.713 1.00 33.35 O ATOM 1104 CB MET A 450 0.722 -2.185 -5.192 1.00 72.30 C ATOM 1105 CG MET A 450 0.838 -2.367 -3.680 1.00 41.24 C ATOM 1106 SD MET A 450 -0.676 -2.960 -2.902 1.00 22.24 S ATOM 1107 CE MET A 450 -0.667 -4.696 -3.330 1.00 21.21 C ATOM 0 H MET A 450 1.569 -1.952 -7.881 1.00 22.32 H new ATOM 0 HA MET A 450 2.300 -0.708 -5.284 1.00 4.03 H new ATOM 0 HB2 MET A 450 -0.126 -1.534 -5.406 1.00 72.30 H new ATOM 0 HB3 MET A 450 0.506 -3.151 -5.649 1.00 72.30 H new ATOM 0 HG2 MET A 450 1.644 -3.070 -3.469 1.00 41.24 H new ATOM 0 HG3 MET A 450 1.119 -1.415 -3.229 1.00 41.24 H new ATOM 0 HE1 MET A 450 -1.634 -4.972 -3.749 1.00 21.21 H new ATOM 0 HE2 MET A 450 0.115 -4.885 -4.066 1.00 21.21 H new ATOM 0 HE3 MET A 450 -0.476 -5.290 -2.436 1.00 21.21 H new ATOM 1117 N GLN A 451 3.979 -2.520 -4.743 1.00 73.41 N ATOM 1118 CA GLN A 451 5.164 -3.379 -4.541 1.00 40.32 C ATOM 1119 C GLN A 451 4.999 -4.246 -3.267 1.00 72.34 C ATOM 1120 O GLN A 451 4.980 -3.714 -2.148 1.00 24.32 O ATOM 1121 CB GLN A 451 6.425 -2.480 -4.435 1.00 5.13 C ATOM 1122 CG GLN A 451 7.748 -3.236 -4.213 1.00 74.31 C ATOM 1123 CD GLN A 451 8.955 -2.306 -4.090 1.00 30.13 C ATOM 1124 OE1 GLN A 451 9.609 -1.983 -5.071 1.00 21.11 O ATOM 1125 NE2 GLN A 451 9.255 -1.857 -2.886 1.00 70.20 N ATOM 0 H GLN A 451 3.835 -1.849 -3.988 1.00 73.41 H new ATOM 0 HA GLN A 451 5.272 -4.055 -5.389 1.00 40.32 H new ATOM 0 HB2 GLN A 451 6.510 -1.890 -5.348 1.00 5.13 H new ATOM 0 HB3 GLN A 451 6.284 -1.777 -3.614 1.00 5.13 H new ATOM 0 HG2 GLN A 451 7.668 -3.839 -3.309 1.00 74.31 H new ATOM 0 HG3 GLN A 451 7.910 -3.925 -5.042 1.00 74.31 H new ATOM 0 HE21 GLN A 451 8.695 -2.140 -2.082 1.00 70.20 H new ATOM 0 HE22 GLN A 451 10.047 -1.227 -2.759 1.00 70.20 H new ATOM 1134 N LEU A 452 4.864 -5.578 -3.446 1.00 35.25 N ATOM 1135 CA LEU A 452 4.799 -6.537 -2.322 1.00 60.24 C ATOM 1136 C LEU A 452 6.207 -6.787 -1.726 1.00 64.31 C ATOM 1137 O LEU A 452 7.083 -7.381 -2.368 1.00 65.24 O ATOM 1138 CB LEU A 452 4.154 -7.875 -2.768 1.00 53.53 C ATOM 1139 CG LEU A 452 2.641 -7.814 -3.148 1.00 71.41 C ATOM 1140 CD1 LEU A 452 2.147 -9.190 -3.634 1.00 1.52 C ATOM 1141 CD2 LEU A 452 1.779 -7.299 -1.962 1.00 62.34 C ATOM 0 H LEU A 452 4.798 -6.016 -4.365 1.00 35.25 H new ATOM 0 HA LEU A 452 4.171 -6.098 -1.547 1.00 60.24 H new ATOM 0 HB2 LEU A 452 4.709 -8.254 -3.626 1.00 53.53 H new ATOM 0 HB3 LEU A 452 4.277 -8.600 -1.964 1.00 53.53 H new ATOM 0 HG LEU A 452 2.530 -7.103 -3.966 1.00 71.41 H new ATOM 0 HD11 LEU A 452 1.090 -9.126 -3.894 1.00 1.52 H new ATOM 0 HD12 LEU A 452 2.719 -9.493 -4.511 1.00 1.52 H new ATOM 0 HD13 LEU A 452 2.282 -9.926 -2.841 1.00 1.52 H new ATOM 0 HD21 LEU A 452 0.731 -7.269 -2.260 1.00 62.34 H new ATOM 0 HD22 LEU A 452 1.895 -7.969 -1.110 1.00 62.34 H new ATOM 0 HD23 LEU A 452 2.106 -6.297 -1.683 1.00 62.34 H new ATOM 1153 N ILE A 453 6.404 -6.295 -0.500 1.00 2.10 N ATOM 1154 CA ILE A 453 7.645 -6.459 0.287 1.00 43.53 C ATOM 1155 C ILE A 453 7.285 -7.019 1.687 1.00 54.40 C ATOM 1156 O ILE A 453 6.180 -6.770 2.168 1.00 73.34 O ATOM 1157 CB ILE A 453 8.419 -5.087 0.442 1.00 51.15 C ATOM 1158 CG1 ILE A 453 7.471 -3.966 0.995 1.00 4.32 C ATOM 1159 CG2 ILE A 453 9.090 -4.667 -0.889 1.00 31.42 C ATOM 1160 CD1 ILE A 453 8.144 -2.628 1.262 1.00 1.34 C ATOM 0 H ILE A 453 5.691 -5.757 -0.008 1.00 2.10 H new ATOM 0 HA ILE A 453 8.300 -7.152 -0.240 1.00 43.53 H new ATOM 0 HB ILE A 453 9.216 -5.231 1.172 1.00 51.15 H new ATOM 0 HG12 ILE A 453 6.661 -3.812 0.282 1.00 4.32 H new ATOM 0 HG13 ILE A 453 7.018 -4.319 1.921 1.00 4.32 H new ATOM 0 HG21 ILE A 453 9.613 -3.721 -0.750 1.00 31.42 H new ATOM 0 HG22 ILE A 453 9.801 -5.434 -1.196 1.00 31.42 H new ATOM 0 HG23 ILE A 453 8.328 -4.550 -1.660 1.00 31.42 H new ATOM 0 HD11 ILE A 453 7.408 -1.920 1.641 1.00 1.34 H new ATOM 0 HD12 ILE A 453 8.935 -2.759 2.000 1.00 1.34 H new ATOM 0 HD13 ILE A 453 8.572 -2.245 0.336 1.00 1.34 H new ATOM 1172 N PRO A 454 8.187 -7.792 2.362 1.00 72.51 N ATOM 1173 CA PRO A 454 7.899 -8.340 3.713 1.00 64.24 C ATOM 1174 C PRO A 454 7.718 -7.215 4.776 1.00 41.02 C ATOM 1175 O PRO A 454 8.611 -6.381 4.984 1.00 32.42 O ATOM 1176 CB PRO A 454 9.130 -9.241 4.010 1.00 64.41 C ATOM 1177 CG PRO A 454 10.216 -8.684 3.144 1.00 70.24 C ATOM 1178 CD PRO A 454 9.534 -8.206 1.879 1.00 32.40 C ATOM 0 HA PRO A 454 6.960 -8.892 3.752 1.00 64.24 H new ATOM 0 HB2 PRO A 454 9.404 -9.204 5.064 1.00 64.41 H new ATOM 0 HB3 PRO A 454 8.926 -10.284 3.770 1.00 64.41 H new ATOM 0 HG2 PRO A 454 10.732 -7.864 3.643 1.00 70.24 H new ATOM 0 HG3 PRO A 454 10.966 -9.443 2.921 1.00 70.24 H new ATOM 0 HD2 PRO A 454 10.071 -7.376 1.420 1.00 32.40 H new ATOM 0 HD3 PRO A 454 9.470 -8.997 1.131 1.00 32.40 H new ATOM 1186 N GLN A 455 6.538 -7.215 5.434 1.00 64.02 N ATOM 1187 CA GLN A 455 6.171 -6.241 6.497 1.00 31.30 C ATOM 1188 C GLN A 455 7.136 -6.324 7.719 1.00 72.52 C ATOM 1189 O GLN A 455 7.219 -5.392 8.531 1.00 61.43 O ATOM 1190 CB GLN A 455 4.700 -6.492 6.935 1.00 60.14 C ATOM 1191 CG GLN A 455 4.114 -5.454 7.914 1.00 52.22 C ATOM 1192 CD GLN A 455 2.703 -5.793 8.416 1.00 23.33 C ATOM 1193 OE1 GLN A 455 2.323 -6.959 8.522 1.00 3.14 O ATOM 1194 NE2 GLN A 455 1.926 -4.778 8.750 1.00 14.14 N ATOM 0 H GLN A 455 5.803 -7.896 5.243 1.00 64.02 H new ATOM 0 HA GLN A 455 6.264 -5.234 6.091 1.00 31.30 H new ATOM 0 HB2 GLN A 455 4.073 -6.520 6.044 1.00 60.14 H new ATOM 0 HB3 GLN A 455 4.640 -7.477 7.398 1.00 60.14 H new ATOM 0 HG2 GLN A 455 4.781 -5.362 8.771 1.00 52.22 H new ATOM 0 HG3 GLN A 455 4.090 -4.481 7.423 1.00 52.22 H new ATOM 0 HE21 GLN A 455 2.266 -3.821 8.652 1.00 14.14 H new ATOM 0 HE22 GLN A 455 0.986 -4.951 9.106 1.00 14.14 H new ATOM 1203 N GLN A 456 7.862 -7.455 7.820 1.00 42.35 N ATOM 1204 CA GLN A 456 8.932 -7.671 8.822 1.00 40.21 C ATOM 1205 C GLN A 456 10.002 -6.536 8.795 1.00 22.02 C ATOM 1206 O GLN A 456 10.463 -6.080 9.842 1.00 41.40 O ATOM 1207 CB GLN A 456 9.620 -9.040 8.559 1.00 61.14 C ATOM 1208 CG GLN A 456 10.675 -9.447 9.613 1.00 13.51 C ATOM 1209 CD GLN A 456 11.471 -10.710 9.258 1.00 61.02 C ATOM 1210 OE1 GLN A 456 10.984 -11.603 8.573 1.00 61.33 O ATOM 1211 NE2 GLN A 456 12.697 -10.804 9.738 1.00 35.05 N ATOM 0 H GLN A 456 7.723 -8.255 7.203 1.00 42.35 H new ATOM 0 HA GLN A 456 8.468 -7.663 9.808 1.00 40.21 H new ATOM 0 HB2 GLN A 456 8.853 -9.814 8.515 1.00 61.14 H new ATOM 0 HB3 GLN A 456 10.098 -9.009 7.580 1.00 61.14 H new ATOM 0 HG2 GLN A 456 11.372 -8.620 9.750 1.00 13.51 H new ATOM 0 HG3 GLN A 456 10.174 -9.604 10.568 1.00 13.51 H new ATOM 0 HE21 GLN A 456 13.082 -10.049 10.306 1.00 35.05 H new ATOM 0 HE22 GLN A 456 13.260 -11.632 9.541 1.00 35.05 H new ATOM 1220 N LEU A 457 10.369 -6.080 7.577 1.00 21.24 N ATOM 1221 CA LEU A 457 11.409 -5.036 7.369 1.00 2.54 C ATOM 1222 C LEU A 457 10.893 -3.616 7.711 1.00 5.42 C ATOM 1223 O LEU A 457 11.689 -2.707 7.976 1.00 22.22 O ATOM 1224 CB LEU A 457 11.919 -5.075 5.907 1.00 0.45 C ATOM 1225 CG LEU A 457 12.466 -6.451 5.415 1.00 34.30 C ATOM 1226 CD1 LEU A 457 12.953 -6.355 3.960 1.00 53.00 C ATOM 1227 CD2 LEU A 457 13.575 -6.992 6.350 1.00 43.22 C ATOM 0 H LEU A 457 9.956 -6.422 6.709 1.00 21.24 H new ATOM 0 HA LEU A 457 12.230 -5.258 8.051 1.00 2.54 H new ATOM 0 HB2 LEU A 457 11.104 -4.773 5.250 1.00 0.45 H new ATOM 0 HB3 LEU A 457 12.708 -4.331 5.798 1.00 0.45 H new ATOM 0 HG LEU A 457 11.645 -7.167 5.448 1.00 34.30 H new ATOM 0 HD11 LEU A 457 13.330 -7.326 3.638 1.00 53.00 H new ATOM 0 HD12 LEU A 457 12.124 -6.056 3.318 1.00 53.00 H new ATOM 0 HD13 LEU A 457 13.750 -5.615 3.891 1.00 53.00 H new ATOM 0 HD21 LEU A 457 13.931 -7.952 5.975 1.00 43.22 H new ATOM 0 HD22 LEU A 457 14.403 -6.284 6.380 1.00 43.22 H new ATOM 0 HD23 LEU A 457 13.173 -7.122 7.355 1.00 43.22 H new ATOM 1239 N LEU A 458 9.558 -3.443 7.699 1.00 10.52 N ATOM 1240 CA LEU A 458 8.908 -2.136 7.991 1.00 62.12 C ATOM 1241 C LEU A 458 9.086 -1.681 9.456 1.00 33.33 C ATOM 1242 O LEU A 458 8.884 -0.503 9.768 1.00 12.40 O ATOM 1243 CB LEU A 458 7.405 -2.176 7.661 1.00 23.22 C ATOM 1244 CG LEU A 458 7.030 -2.452 6.180 1.00 13.42 C ATOM 1245 CD1 LEU A 458 5.536 -2.173 5.960 1.00 31.33 C ATOM 1246 CD2 LEU A 458 7.912 -1.643 5.202 1.00 63.25 C ATOM 0 H LEU A 458 8.899 -4.193 7.490 1.00 10.52 H new ATOM 0 HA LEU A 458 9.413 -1.412 7.351 1.00 62.12 H new ATOM 0 HB2 LEU A 458 6.940 -2.943 8.280 1.00 23.22 H new ATOM 0 HB3 LEU A 458 6.966 -1.222 7.952 1.00 23.22 H new ATOM 0 HG LEU A 458 7.221 -3.504 5.968 1.00 13.42 H new ATOM 0 HD11 LEU A 458 5.279 -2.368 4.919 1.00 31.33 H new ATOM 0 HD12 LEU A 458 4.946 -2.821 6.607 1.00 31.33 H new ATOM 0 HD13 LEU A 458 5.322 -1.131 6.197 1.00 31.33 H new ATOM 0 HD21 LEU A 458 7.617 -1.865 4.177 1.00 63.25 H new ATOM 0 HD22 LEU A 458 7.784 -0.578 5.393 1.00 63.25 H new ATOM 0 HD23 LEU A 458 8.958 -1.915 5.345 1.00 63.25 H new ATOM 1258 N THR A 459 9.425 -2.628 10.342 1.00 33.41 N ATOM 1259 CA THR A 459 9.722 -2.334 11.765 1.00 41.24 C ATOM 1260 C THR A 459 10.931 -1.365 11.900 1.00 44.05 C ATOM 1261 O THR A 459 11.003 -0.570 12.842 1.00 14.44 O ATOM 1262 CB THR A 459 10.000 -3.652 12.555 1.00 34.43 C ATOM 1263 OG1 THR A 459 11.154 -4.314 12.008 1.00 4.24 O ATOM 1264 CG2 THR A 459 8.785 -4.612 12.504 1.00 13.20 C ATOM 0 H THR A 459 9.503 -3.616 10.102 1.00 33.41 H new ATOM 0 HA THR A 459 8.845 -1.847 12.191 1.00 41.24 H new ATOM 0 HB THR A 459 10.181 -3.385 13.596 1.00 34.43 H new ATOM 0 HG1 THR A 459 10.875 -4.917 11.288 1.00 4.24 H new ATOM 0 HG21 THR A 459 9.014 -5.519 13.064 1.00 13.20 H new ATOM 0 HG22 THR A 459 7.916 -4.123 12.945 1.00 13.20 H new ATOM 0 HG23 THR A 459 8.569 -4.871 11.467 1.00 13.20 H new ATOM 1272 N THR A 460 11.860 -1.433 10.916 1.00 22.21 N ATOM 1273 CA THR A 460 12.980 -0.464 10.765 1.00 22.24 C ATOM 1274 C THR A 460 12.454 0.954 10.406 1.00 63.34 C ATOM 1275 O THR A 460 12.998 1.969 10.859 1.00 51.04 O ATOM 1276 CB THR A 460 13.987 -0.945 9.652 1.00 13.23 C ATOM 1277 OG1 THR A 460 14.494 -2.247 9.986 1.00 50.15 O ATOM 1278 CG2 THR A 460 15.181 0.016 9.453 1.00 43.43 C ATOM 0 H THR A 460 11.856 -2.161 10.202 1.00 22.21 H new ATOM 0 HA THR A 460 13.498 -0.414 11.723 1.00 22.24 H new ATOM 0 HB THR A 460 13.426 -0.969 8.718 1.00 13.23 H new ATOM 0 HG1 THR A 460 15.118 -2.543 9.291 1.00 50.15 H new ATOM 0 HG21 THR A 460 15.836 -0.374 8.673 1.00 43.43 H new ATOM 0 HG22 THR A 460 14.812 0.999 9.160 1.00 43.43 H new ATOM 0 HG23 THR A 460 15.739 0.101 10.386 1.00 43.43 H new ATOM 1286 N LEU A 461 11.365 1.002 9.607 1.00 43.43 N ATOM 1287 CA LEU A 461 10.773 2.271 9.100 1.00 10.43 C ATOM 1288 C LEU A 461 9.682 2.832 10.052 1.00 53.24 C ATOM 1289 O LEU A 461 8.828 3.613 9.623 1.00 41.34 O ATOM 1290 CB LEU A 461 10.164 2.056 7.681 1.00 1.01 C ATOM 1291 CG LEU A 461 11.061 1.324 6.623 1.00 3.13 C ATOM 1292 CD1 LEU A 461 10.365 1.270 5.244 1.00 73.42 C ATOM 1293 CD2 LEU A 461 12.473 1.950 6.514 1.00 4.13 C ATOM 0 H LEU A 461 10.869 0.168 9.293 1.00 43.43 H new ATOM 0 HA LEU A 461 11.581 3.001 9.050 1.00 10.43 H new ATOM 0 HB2 LEU A 461 9.240 1.489 7.792 1.00 1.01 H new ATOM 0 HB3 LEU A 461 9.893 3.032 7.278 1.00 1.01 H new ATOM 0 HG LEU A 461 11.196 0.301 6.975 1.00 3.13 H new ATOM 0 HD11 LEU A 461 11.010 0.757 4.531 1.00 73.42 H new ATOM 0 HD12 LEU A 461 9.422 0.731 5.333 1.00 73.42 H new ATOM 0 HD13 LEU A 461 10.171 2.284 4.894 1.00 73.42 H new ATOM 0 HD21 LEU A 461 13.055 1.408 5.769 1.00 4.13 H new ATOM 0 HD22 LEU A 461 12.386 2.995 6.216 1.00 4.13 H new ATOM 0 HD23 LEU A 461 12.974 1.889 7.480 1.00 4.13 H new ATOM 1305 N GLY A 462 9.736 2.441 11.343 1.00 62.41 N ATOM 1306 CA GLY A 462 8.820 2.956 12.383 1.00 43.33 C ATOM 1307 C GLY A 462 8.674 4.499 12.406 1.00 33.34 C ATOM 1308 O GLY A 462 7.543 4.999 12.372 1.00 1.34 O ATOM 0 H GLY A 462 10.413 1.762 11.693 1.00 62.41 H new ATOM 0 HA2 GLY A 462 7.835 2.513 12.233 1.00 43.33 H new ATOM 0 HA3 GLY A 462 9.175 2.623 13.358 1.00 43.33 H new ATOM 1312 N PRO A 463 9.805 5.289 12.470 1.00 34.45 N ATOM 1313 CA PRO A 463 9.776 6.781 12.330 1.00 64.33 C ATOM 1314 C PRO A 463 9.164 7.285 10.984 1.00 14.43 C ATOM 1315 O PRO A 463 8.592 8.376 10.932 1.00 0.42 O ATOM 1316 CB PRO A 463 11.277 7.183 12.458 1.00 70.41 C ATOM 1317 CG PRO A 463 12.039 5.918 12.187 1.00 24.02 C ATOM 1318 CD PRO A 463 11.186 4.815 12.759 1.00 54.52 C ATOM 0 HA PRO A 463 9.130 7.235 13.081 1.00 64.33 H new ATOM 0 HB2 PRO A 463 11.540 7.963 11.744 1.00 70.41 H new ATOM 0 HB3 PRO A 463 11.499 7.573 13.452 1.00 70.41 H new ATOM 0 HG2 PRO A 463 12.201 5.777 11.118 1.00 24.02 H new ATOM 0 HG3 PRO A 463 13.022 5.941 12.658 1.00 24.02 H new ATOM 0 HD2 PRO A 463 11.393 3.856 12.285 1.00 54.52 H new ATOM 0 HD3 PRO A 463 11.355 4.685 13.828 1.00 54.52 H new ATOM 1326 N LEU A 464 9.294 6.485 9.901 1.00 3.45 N ATOM 1327 CA LEU A 464 8.713 6.817 8.568 1.00 54.44 C ATOM 1328 C LEU A 464 7.171 6.623 8.517 1.00 32.41 C ATOM 1329 O LEU A 464 6.508 7.164 7.629 1.00 74.35 O ATOM 1330 CB LEU A 464 9.417 6.007 7.443 1.00 23.01 C ATOM 1331 CG LEU A 464 10.909 6.392 7.171 1.00 32.24 C ATOM 1332 CD1 LEU A 464 11.539 5.487 6.094 1.00 74.14 C ATOM 1333 CD2 LEU A 464 11.040 7.887 6.786 1.00 55.43 C ATOM 0 H LEU A 464 9.798 5.599 9.919 1.00 3.45 H new ATOM 0 HA LEU A 464 8.896 7.878 8.400 1.00 54.44 H new ATOM 0 HB2 LEU A 464 9.374 4.948 7.699 1.00 23.01 H new ATOM 0 HB3 LEU A 464 8.853 6.135 6.519 1.00 23.01 H new ATOM 0 HG LEU A 464 11.461 6.234 8.098 1.00 32.24 H new ATOM 0 HD11 LEU A 464 12.575 5.783 5.931 1.00 74.14 H new ATOM 0 HD12 LEU A 464 11.506 4.449 6.426 1.00 74.14 H new ATOM 0 HD13 LEU A 464 10.982 5.588 5.163 1.00 74.14 H new ATOM 0 HD21 LEU A 464 12.088 8.125 6.603 1.00 55.43 H new ATOM 0 HD22 LEU A 464 10.460 8.082 5.884 1.00 55.43 H new ATOM 0 HD23 LEU A 464 10.664 8.507 7.600 1.00 55.43 H new ATOM 1345 N PHE A 465 6.609 5.843 9.471 1.00 10.41 N ATOM 1346 CA PHE A 465 5.131 5.738 9.661 1.00 33.32 C ATOM 1347 C PHE A 465 4.575 6.885 10.534 1.00 2.51 C ATOM 1348 O PHE A 465 3.356 7.010 10.715 1.00 3.01 O ATOM 1349 CB PHE A 465 4.750 4.372 10.274 1.00 1.22 C ATOM 1350 CG PHE A 465 5.035 3.203 9.346 1.00 33.22 C ATOM 1351 CD1 PHE A 465 4.336 3.085 8.148 1.00 5.13 C ATOM 1352 CD2 PHE A 465 5.995 2.241 9.645 1.00 62.53 C ATOM 1353 CE1 PHE A 465 4.583 2.047 7.287 1.00 11.15 C ATOM 1354 CE2 PHE A 465 6.240 1.200 8.775 1.00 13.02 C ATOM 1355 CZ PHE A 465 5.530 1.106 7.596 1.00 73.42 C ATOM 0 H PHE A 465 7.151 5.276 10.123 1.00 10.41 H new ATOM 0 HA PHE A 465 4.678 5.823 8.673 1.00 33.32 H new ATOM 0 HB2 PHE A 465 5.300 4.232 11.205 1.00 1.22 H new ATOM 0 HB3 PHE A 465 3.690 4.377 10.528 1.00 1.22 H new ATOM 0 HD1 PHE A 465 3.588 3.822 7.893 1.00 5.13 H new ATOM 0 HD2 PHE A 465 6.553 2.311 10.567 1.00 62.53 H new ATOM 0 HE1 PHE A 465 4.030 1.971 6.363 1.00 11.15 H new ATOM 0 HE2 PHE A 465 6.987 0.459 9.016 1.00 13.02 H new ATOM 0 HZ PHE A 465 5.721 0.289 6.915 1.00 73.42 H new ATOM 1365 N ARG A 466 5.477 7.707 11.094 1.00 62.43 N ATOM 1366 CA ARG A 466 5.099 8.931 11.825 1.00 44.45 C ATOM 1367 C ARG A 466 5.101 10.120 10.834 1.00 2.14 C ATOM 1368 O ARG A 466 5.869 10.116 9.858 1.00 0.43 O ATOM 1369 CB ARG A 466 6.062 9.177 13.022 1.00 12.51 C ATOM 1370 CG ARG A 466 6.386 7.914 13.870 1.00 10.32 C ATOM 1371 CD ARG A 466 5.139 7.125 14.326 1.00 13.14 C ATOM 1372 NE ARG A 466 4.238 7.920 15.178 1.00 32.42 N ATOM 1373 CZ ARG A 466 4.150 7.835 16.488 1.00 14.01 C ATOM 1374 NH1 ARG A 466 4.905 7.026 17.168 1.00 74.43 N ATOM 1375 NH2 ARG A 466 3.297 8.572 17.111 1.00 13.22 N ATOM 0 H ARG A 466 6.483 7.545 11.054 1.00 62.43 H new ATOM 0 HA ARG A 466 4.099 8.821 12.243 1.00 44.45 H new ATOM 0 HB2 ARG A 466 6.996 9.590 12.640 1.00 12.51 H new ATOM 0 HB3 ARG A 466 5.623 9.932 13.674 1.00 12.51 H new ATOM 0 HG2 ARG A 466 7.028 7.253 13.288 1.00 10.32 H new ATOM 0 HG3 ARG A 466 6.954 8.216 14.750 1.00 10.32 H new ATOM 0 HD2 ARG A 466 4.592 6.781 13.448 1.00 13.14 H new ATOM 0 HD3 ARG A 466 5.457 6.236 14.872 1.00 13.14 H new ATOM 0 HE ARG A 466 3.630 8.594 14.713 1.00 32.42 H new ATOM 0 HH11 ARG A 466 5.586 6.438 16.687 1.00 74.43 H new ATOM 0 HH12 ARG A 466 4.817 6.979 18.183 1.00 74.43 H new ATOM 0 HH21 ARG A 466 2.699 9.213 16.589 1.00 13.22 H new ATOM 0 HH22 ARG A 466 3.219 8.515 18.126 1.00 13.22 H new ATOM 1389 N ASN A 467 4.222 11.116 11.089 1.00 73.45 N ATOM 1390 CA ASN A 467 3.917 12.224 10.137 1.00 31.13 C ATOM 1391 C ASN A 467 3.336 11.651 8.800 1.00 14.03 C ATOM 1392 O ASN A 467 3.562 12.183 7.708 1.00 13.24 O ATOM 1393 CB ASN A 467 5.178 13.130 9.908 1.00 11.02 C ATOM 1394 CG ASN A 467 4.885 14.449 9.180 1.00 64.23 C ATOM 1395 OD1 ASN A 467 3.807 15.020 9.306 1.00 41.45 O ATOM 1396 ND2 ASN A 467 5.835 14.942 8.414 1.00 31.32 N ATOM 0 H ASN A 467 3.699 11.180 11.962 1.00 73.45 H new ATOM 0 HA ASN A 467 3.150 12.864 10.573 1.00 31.13 H new ATOM 0 HB2 ASN A 467 5.630 13.355 10.874 1.00 11.02 H new ATOM 0 HB3 ASN A 467 5.915 12.568 9.334 1.00 11.02 H new ATOM 0 HD21 ASN A 467 5.682 15.816 7.911 1.00 31.32 H new ATOM 0 HD22 ASN A 467 6.724 14.450 8.324 1.00 31.32 H new ATOM 1403 N SER A 468 2.561 10.552 8.919 1.00 71.45 N ATOM 1404 CA SER A 468 1.911 9.869 7.771 1.00 54.41 C ATOM 1405 C SER A 468 0.378 10.061 7.812 1.00 4.21 C ATOM 1406 O SER A 468 -0.283 9.709 8.799 1.00 54.03 O ATOM 1407 CB SER A 468 2.259 8.360 7.765 1.00 45.25 C ATOM 1408 OG SER A 468 3.650 8.149 7.588 1.00 50.45 O ATOM 0 H SER A 468 2.365 10.109 9.817 1.00 71.45 H new ATOM 0 HA SER A 468 2.291 10.319 6.854 1.00 54.41 H new ATOM 0 HB2 SER A 468 1.938 7.908 8.703 1.00 45.25 H new ATOM 0 HB3 SER A 468 1.710 7.862 6.966 1.00 45.25 H new ATOM 0 HG SER A 468 3.805 7.233 7.275 1.00 50.45 H new ATOM 1414 N ARG A 469 -0.158 10.629 6.724 1.00 60.44 N ATOM 1415 CA ARG A 469 -1.597 10.920 6.558 1.00 24.52 C ATOM 1416 C ARG A 469 -2.423 9.617 6.406 1.00 25.33 C ATOM 1417 O ARG A 469 -2.164 8.814 5.502 1.00 52.24 O ATOM 1418 CB ARG A 469 -1.779 11.823 5.308 1.00 23.00 C ATOM 1419 CG ARG A 469 -3.188 12.426 5.142 1.00 73.32 C ATOM 1420 CD ARG A 469 -3.302 13.332 3.897 1.00 41.23 C ATOM 1421 NE ARG A 469 -4.558 14.096 3.867 1.00 64.13 N ATOM 1422 CZ ARG A 469 -5.731 13.642 3.491 1.00 52.22 C ATOM 1423 NH1 ARG A 469 -5.907 12.408 3.143 1.00 61.32 N ATOM 1424 NH2 ARG A 469 -6.730 14.444 3.472 1.00 53.54 N ATOM 0 H ARG A 469 0.402 10.906 5.918 1.00 60.44 H new ATOM 0 HA ARG A 469 -1.962 11.433 7.448 1.00 24.52 H new ATOM 0 HB2 ARG A 469 -1.055 12.636 5.357 1.00 23.00 H new ATOM 0 HB3 ARG A 469 -1.543 11.239 4.419 1.00 23.00 H new ATOM 0 HG2 ARG A 469 -3.918 11.620 5.068 1.00 73.32 H new ATOM 0 HG3 ARG A 469 -3.439 13.004 6.032 1.00 73.32 H new ATOM 0 HD2 ARG A 469 -2.460 14.024 3.877 1.00 41.23 H new ATOM 0 HD3 ARG A 469 -3.232 12.719 2.998 1.00 41.23 H new ATOM 0 HE ARG A 469 -4.514 15.070 4.166 1.00 64.13 H new ATOM 0 HH11 ARG A 469 -5.122 11.757 3.156 1.00 61.32 H new ATOM 0 HH12 ARG A 469 -6.831 12.086 2.856 1.00 61.32 H new ATOM 0 HH21 ARG A 469 -6.607 15.419 3.746 1.00 53.54 H new ATOM 0 HH22 ARG A 469 -7.648 14.108 3.182 1.00 53.54 H new ATOM 1438 N MET A 470 -3.428 9.424 7.279 1.00 61.43 N ATOM 1439 CA MET A 470 -4.261 8.206 7.270 1.00 73.24 C ATOM 1440 C MET A 470 -5.418 8.320 6.258 1.00 4.15 C ATOM 1441 O MET A 470 -6.320 9.160 6.380 1.00 13.11 O ATOM 1442 CB MET A 470 -4.785 7.895 8.699 1.00 51.44 C ATOM 1443 CG MET A 470 -3.710 7.287 9.592 1.00 42.42 C ATOM 1444 SD MET A 470 -4.178 7.195 11.335 1.00 22.11 S ATOM 1445 CE MET A 470 -2.711 6.453 12.062 1.00 22.10 C ATOM 0 H MET A 470 -3.684 10.097 8.001 1.00 61.43 H new ATOM 0 HA MET A 470 -3.637 7.372 6.949 1.00 73.24 H new ATOM 0 HB2 MET A 470 -5.156 8.813 9.155 1.00 51.44 H new ATOM 0 HB3 MET A 470 -5.629 7.209 8.632 1.00 51.44 H new ATOM 0 HG2 MET A 470 -3.478 6.284 9.234 1.00 42.42 H new ATOM 0 HG3 MET A 470 -2.798 7.877 9.501 1.00 42.42 H new ATOM 0 HE1 MET A 470 -2.857 6.336 13.136 1.00 22.10 H new ATOM 0 HE2 MET A 470 -2.536 5.476 11.611 1.00 22.10 H new ATOM 0 HE3 MET A 470 -1.850 7.096 11.881 1.00 22.10 H new ATOM 1455 N VAL A 471 -5.330 7.461 5.248 1.00 45.42 N ATOM 1456 CA VAL A 471 -6.368 7.242 4.214 1.00 63.01 C ATOM 1457 C VAL A 471 -6.765 5.748 4.207 1.00 2.34 C ATOM 1458 O VAL A 471 -6.203 4.952 4.971 1.00 71.44 O ATOM 1459 CB VAL A 471 -5.885 7.702 2.779 1.00 42.01 C ATOM 1460 CG1 VAL A 471 -5.589 9.222 2.743 1.00 13.11 C ATOM 1461 CG2 VAL A 471 -4.658 6.886 2.289 1.00 75.23 C ATOM 0 H VAL A 471 -4.509 6.871 5.111 1.00 45.42 H new ATOM 0 HA VAL A 471 -7.236 7.854 4.461 1.00 63.01 H new ATOM 0 HB VAL A 471 -6.705 7.502 2.090 1.00 42.01 H new ATOM 0 HG11 VAL A 471 -5.260 9.505 1.743 1.00 13.11 H new ATOM 0 HG12 VAL A 471 -6.493 9.775 2.997 1.00 13.11 H new ATOM 0 HG13 VAL A 471 -4.805 9.457 3.463 1.00 13.11 H new ATOM 0 HG21 VAL A 471 -4.360 7.235 1.300 1.00 75.23 H new ATOM 0 HG22 VAL A 471 -3.830 7.020 2.986 1.00 75.23 H new ATOM 0 HG23 VAL A 471 -4.921 5.829 2.237 1.00 75.23 H new ATOM 1471 N GLN A 472 -7.736 5.359 3.368 1.00 32.52 N ATOM 1472 CA GLN A 472 -8.229 3.959 3.333 1.00 41.31 C ATOM 1473 C GLN A 472 -8.542 3.508 1.890 1.00 14.15 C ATOM 1474 O GLN A 472 -8.980 4.306 1.073 1.00 31.12 O ATOM 1475 CB GLN A 472 -9.480 3.839 4.240 1.00 21.12 C ATOM 1476 CG GLN A 472 -9.950 2.396 4.502 1.00 64.43 C ATOM 1477 CD GLN A 472 -11.138 2.309 5.458 1.00 61.43 C ATOM 1478 OE1 GLN A 472 -11.323 3.157 6.331 1.00 32.51 O ATOM 1479 NE2 GLN A 472 -11.932 1.268 5.328 1.00 75.32 N ATOM 0 H GLN A 472 -8.198 5.983 2.706 1.00 32.52 H new ATOM 0 HA GLN A 472 -7.448 3.298 3.709 1.00 41.31 H new ATOM 0 HB2 GLN A 472 -9.265 4.316 5.196 1.00 21.12 H new ATOM 0 HB3 GLN A 472 -10.298 4.396 3.783 1.00 21.12 H new ATOM 0 HG2 GLN A 472 -10.222 1.932 3.554 1.00 64.43 H new ATOM 0 HG3 GLN A 472 -9.120 1.820 4.912 1.00 64.43 H new ATOM 0 HE21 GLN A 472 -11.756 0.580 4.596 1.00 75.32 H new ATOM 0 HE22 GLN A 472 -12.724 1.149 5.960 1.00 75.32 H new ATOM 1488 N PHE A 473 -8.298 2.220 1.584 1.00 61.51 N ATOM 1489 CA PHE A 473 -8.543 1.633 0.243 1.00 23.11 C ATOM 1490 C PHE A 473 -9.697 0.610 0.288 1.00 50.13 C ATOM 1491 O PHE A 473 -9.567 -0.479 0.863 1.00 51.41 O ATOM 1492 CB PHE A 473 -7.249 0.972 -0.306 1.00 71.34 C ATOM 1493 CG PHE A 473 -6.184 1.971 -0.767 1.00 15.54 C ATOM 1494 CD1 PHE A 473 -5.519 2.793 0.148 1.00 32.43 C ATOM 1495 CD2 PHE A 473 -5.858 2.096 -2.121 1.00 62.01 C ATOM 1496 CE1 PHE A 473 -4.566 3.697 -0.276 1.00 60.43 C ATOM 1497 CE2 PHE A 473 -4.903 3.002 -2.542 1.00 53.12 C ATOM 1498 CZ PHE A 473 -4.260 3.802 -1.620 1.00 74.31 C ATOM 0 H PHE A 473 -7.925 1.551 2.258 1.00 61.51 H new ATOM 0 HA PHE A 473 -8.834 2.439 -0.431 1.00 23.11 H new ATOM 0 HB2 PHE A 473 -6.823 0.334 0.469 1.00 71.34 H new ATOM 0 HB3 PHE A 473 -7.511 0.325 -1.143 1.00 71.34 H new ATOM 0 HD1 PHE A 473 -5.754 2.720 1.200 1.00 32.43 H new ATOM 0 HD2 PHE A 473 -6.360 1.475 -2.849 1.00 62.01 H new ATOM 0 HE1 PHE A 473 -4.059 4.323 0.443 1.00 60.43 H new ATOM 0 HE2 PHE A 473 -4.660 3.084 -3.591 1.00 53.12 H new ATOM 0 HZ PHE A 473 -3.516 4.512 -1.949 1.00 74.31 H new ATOM 1508 N HIS A 474 -10.828 0.993 -0.321 1.00 2.22 N ATOM 1509 CA HIS A 474 -11.995 0.116 -0.530 1.00 33.51 C ATOM 1510 C HIS A 474 -11.988 -0.391 -1.985 1.00 72.14 C ATOM 1511 O HIS A 474 -11.950 0.407 -2.921 1.00 20.04 O ATOM 1512 CB HIS A 474 -13.290 0.899 -0.230 1.00 30.31 C ATOM 1513 CG HIS A 474 -14.552 0.063 -0.241 1.00 22.20 C ATOM 1514 ND1 HIS A 474 -14.789 -0.860 0.749 1.00 33.32 N ATOM 1515 CD2 HIS A 474 -15.614 0.076 -1.090 1.00 13.21 C ATOM 1516 CE1 HIS A 474 -15.973 -1.380 0.490 1.00 35.31 C ATOM 1517 NE2 HIS A 474 -16.511 -0.844 -0.611 1.00 3.12 N ATOM 0 H HIS A 474 -10.963 1.935 -0.689 1.00 2.22 H new ATOM 0 HA HIS A 474 -11.947 -0.740 0.143 1.00 33.51 H new ATOM 0 HB2 HIS A 474 -13.193 1.374 0.746 1.00 30.31 H new ATOM 0 HB3 HIS A 474 -13.393 1.698 -0.964 1.00 30.31 H new ATOM 0 HD2 HIS A 474 -15.729 0.691 -1.970 1.00 13.21 H new ATOM 0 HE1 HIS A 474 -16.448 -2.142 1.091 1.00 35.31 H new ATOM 0 HE2 HIS A 474 -17.417 -1.076 -1.018 1.00 3.12 H new ATOM 1525 N PHE A 475 -12.044 -1.714 -2.178 1.00 13.52 N ATOM 1526 CA PHE A 475 -11.951 -2.335 -3.522 1.00 1.31 C ATOM 1527 C PHE A 475 -13.354 -2.568 -4.140 1.00 75.24 C ATOM 1528 O PHE A 475 -13.576 -3.543 -4.872 1.00 30.43 O ATOM 1529 CB PHE A 475 -11.113 -3.634 -3.421 1.00 12.31 C ATOM 1530 CG PHE A 475 -9.664 -3.374 -2.997 1.00 43.32 C ATOM 1531 CD1 PHE A 475 -8.681 -3.091 -3.944 1.00 5.34 C ATOM 1532 CD2 PHE A 475 -9.286 -3.393 -1.652 1.00 12.44 C ATOM 1533 CE1 PHE A 475 -7.374 -2.843 -3.568 1.00 51.02 C ATOM 1534 CE2 PHE A 475 -7.976 -3.144 -1.279 1.00 53.14 C ATOM 1535 CZ PHE A 475 -7.020 -2.868 -2.235 1.00 21.11 C ATOM 0 H PHE A 475 -12.154 -2.387 -1.419 1.00 13.52 H new ATOM 0 HA PHE A 475 -11.442 -1.655 -4.205 1.00 1.31 H new ATOM 0 HB2 PHE A 475 -11.581 -4.308 -2.704 1.00 12.31 H new ATOM 0 HB3 PHE A 475 -11.119 -4.141 -4.386 1.00 12.31 H new ATOM 0 HD1 PHE A 475 -8.945 -3.065 -4.991 1.00 5.34 H new ATOM 0 HD2 PHE A 475 -10.025 -3.605 -0.894 1.00 12.44 H new ATOM 0 HE1 PHE A 475 -6.628 -2.629 -4.320 1.00 51.02 H new ATOM 0 HE2 PHE A 475 -7.701 -3.166 -0.235 1.00 53.14 H new ATOM 0 HZ PHE A 475 -5.999 -2.672 -1.941 1.00 21.11 H new ATOM 1545 N THR A 476 -14.251 -1.576 -3.898 1.00 71.54 N ATOM 1546 CA THR A 476 -15.676 -1.555 -4.315 1.00 40.45 C ATOM 1547 C THR A 476 -16.509 -2.660 -3.606 1.00 73.22 C ATOM 1548 O THR A 476 -17.443 -2.365 -2.846 1.00 10.44 O ATOM 1549 CB THR A 476 -15.865 -1.629 -5.868 1.00 64.22 C ATOM 1550 OG1 THR A 476 -14.987 -0.689 -6.521 1.00 22.11 O ATOM 1551 CG2 THR A 476 -17.317 -1.317 -6.261 1.00 52.11 C ATOM 0 H THR A 476 -13.988 -0.734 -3.385 1.00 71.54 H new ATOM 0 HA THR A 476 -16.057 -0.585 -3.995 1.00 40.45 H new ATOM 0 HB THR A 476 -15.622 -2.643 -6.186 1.00 64.22 H new ATOM 0 HG1 THR A 476 -14.055 -0.947 -6.362 1.00 22.11 H new ATOM 0 HG21 THR A 476 -17.421 -1.375 -7.344 1.00 52.11 H new ATOM 0 HG22 THR A 476 -17.984 -2.041 -5.793 1.00 52.11 H new ATOM 0 HG23 THR A 476 -17.577 -0.313 -5.925 1.00 52.11 H new ATOM 1559 N ASN A 477 -16.183 -3.929 -3.891 1.00 41.33 N ATOM 1560 CA ASN A 477 -16.734 -5.106 -3.179 1.00 45.23 C ATOM 1561 C ASN A 477 -15.643 -5.722 -2.265 1.00 14.12 C ATOM 1562 O ASN A 477 -14.515 -5.222 -2.195 1.00 74.42 O ATOM 1563 CB ASN A 477 -17.265 -6.159 -4.202 1.00 4.11 C ATOM 1564 CG ASN A 477 -18.400 -5.650 -5.102 1.00 43.43 C ATOM 1565 OD1 ASN A 477 -18.485 -4.472 -5.434 1.00 53.11 O ATOM 1566 ND2 ASN A 477 -19.282 -6.537 -5.516 1.00 63.21 N ATOM 0 H ASN A 477 -15.523 -4.176 -4.629 1.00 41.33 H new ATOM 0 HA ASN A 477 -17.571 -4.790 -2.557 1.00 45.23 H new ATOM 0 HB2 ASN A 477 -16.437 -6.486 -4.831 1.00 4.11 H new ATOM 0 HB3 ASN A 477 -17.615 -7.035 -3.655 1.00 4.11 H new ATOM 0 HD21 ASN A 477 -20.050 -6.248 -6.122 1.00 63.21 H new ATOM 0 HD22 ASN A 477 -19.197 -7.513 -5.231 1.00 63.21 H new ATOM 1573 N LYS A 478 -15.991 -6.812 -1.569 1.00 30.11 N ATOM 1574 CA LYS A 478 -15.059 -7.544 -0.677 1.00 75.45 C ATOM 1575 C LYS A 478 -14.861 -9.007 -1.168 1.00 20.04 C ATOM 1576 O LYS A 478 -13.852 -9.651 -0.854 1.00 24.41 O ATOM 1577 CB LYS A 478 -15.609 -7.486 0.777 1.00 52.42 C ATOM 1578 CG LYS A 478 -14.672 -8.070 1.863 1.00 63.22 C ATOM 1579 CD LYS A 478 -15.137 -7.743 3.304 1.00 11.33 C ATOM 1580 CE LYS A 478 -16.540 -8.286 3.630 1.00 0.42 C ATOM 1581 NZ LYS A 478 -16.991 -7.887 4.986 1.00 64.51 N ATOM 0 H LYS A 478 -16.926 -7.218 -1.603 1.00 30.11 H new ATOM 0 HA LYS A 478 -14.076 -7.073 -0.697 1.00 75.45 H new ATOM 0 HB2 LYS A 478 -15.823 -6.447 1.026 1.00 52.42 H new ATOM 0 HB3 LYS A 478 -16.557 -8.023 0.811 1.00 52.42 H new ATOM 0 HG2 LYS A 478 -14.615 -9.152 1.742 1.00 63.22 H new ATOM 0 HG3 LYS A 478 -13.665 -7.679 1.715 1.00 63.22 H new ATOM 0 HD2 LYS A 478 -14.421 -8.159 4.012 1.00 11.33 H new ATOM 0 HD3 LYS A 478 -15.132 -6.662 3.443 1.00 11.33 H new ATOM 0 HE2 LYS A 478 -17.251 -7.920 2.889 1.00 0.42 H new ATOM 0 HE3 LYS A 478 -16.534 -9.373 3.556 1.00 0.42 H new ATOM 0 HZ1 LYS A 478 -17.940 -8.274 5.164 1.00 64.51 H new ATOM 0 HZ2 LYS A 478 -16.327 -8.258 5.696 1.00 64.51 H new ATOM 0 HZ3 LYS A 478 -17.022 -6.849 5.050 1.00 64.51 H new ATOM 1595 N ASP A 479 -15.818 -9.508 -1.982 1.00 53.22 N ATOM 1596 CA ASP A 479 -15.824 -10.910 -2.466 1.00 2.13 C ATOM 1597 C ASP A 479 -15.074 -11.127 -3.804 1.00 1.31 C ATOM 1598 O ASP A 479 -15.326 -12.124 -4.491 1.00 13.41 O ATOM 1599 CB ASP A 479 -17.284 -11.422 -2.573 1.00 51.10 C ATOM 1600 CG ASP A 479 -17.909 -11.683 -1.198 1.00 0.44 C ATOM 1601 OD1 ASP A 479 -17.562 -12.712 -0.574 1.00 53.41 O ATOM 1602 OD2 ASP A 479 -18.733 -10.867 -0.730 1.00 14.21 O ATOM 0 H ASP A 479 -16.605 -8.955 -2.321 1.00 53.22 H new ATOM 0 HA ASP A 479 -15.271 -11.489 -1.726 1.00 2.13 H new ATOM 0 HB2 ASP A 479 -17.886 -10.689 -3.110 1.00 51.10 H new ATOM 0 HB3 ASP A 479 -17.303 -12.341 -3.159 1.00 51.10 H new ATOM 1607 N LEU A 480 -14.123 -10.241 -4.155 1.00 32.03 N ATOM 1608 CA LEU A 480 -13.255 -10.470 -5.335 1.00 71.40 C ATOM 1609 C LEU A 480 -12.251 -11.615 -5.028 1.00 24.11 C ATOM 1610 O LEU A 480 -11.687 -11.673 -3.927 1.00 40.34 O ATOM 1611 CB LEU A 480 -12.499 -9.188 -5.791 1.00 51.44 C ATOM 1612 CG LEU A 480 -13.362 -7.947 -6.204 1.00 43.32 C ATOM 1613 CD1 LEU A 480 -14.550 -8.338 -7.103 1.00 20.43 C ATOM 1614 CD2 LEU A 480 -13.810 -7.127 -4.982 1.00 70.00 C ATOM 0 H LEU A 480 -13.935 -9.374 -3.652 1.00 32.03 H new ATOM 0 HA LEU A 480 -13.902 -10.755 -6.164 1.00 71.40 H new ATOM 0 HB2 LEU A 480 -11.837 -8.882 -4.981 1.00 51.44 H new ATOM 0 HB3 LEU A 480 -11.866 -9.454 -6.638 1.00 51.44 H new ATOM 0 HG LEU A 480 -12.718 -7.302 -6.801 1.00 43.32 H new ATOM 0 HD11 LEU A 480 -15.119 -7.445 -7.363 1.00 20.43 H new ATOM 0 HD12 LEU A 480 -14.178 -8.809 -8.013 1.00 20.43 H new ATOM 0 HD13 LEU A 480 -15.195 -9.036 -6.570 1.00 20.43 H new ATOM 0 HD21 LEU A 480 -14.406 -6.276 -5.313 1.00 70.00 H new ATOM 0 HD22 LEU A 480 -14.409 -7.755 -4.322 1.00 70.00 H new ATOM 0 HD23 LEU A 480 -12.933 -6.768 -4.443 1.00 70.00 H new ATOM 1626 N GLU A 481 -12.053 -12.521 -5.999 1.00 1.43 N ATOM 1627 CA GLU A 481 -11.216 -13.735 -5.819 1.00 33.50 C ATOM 1628 C GLU A 481 -9.709 -13.371 -5.682 1.00 3.31 C ATOM 1629 O GLU A 481 -8.992 -13.946 -4.854 1.00 41.31 O ATOM 1630 CB GLU A 481 -11.453 -14.713 -7.003 1.00 31.25 C ATOM 1631 CG GLU A 481 -12.918 -15.195 -7.152 1.00 14.21 C ATOM 1632 CD GLU A 481 -13.131 -16.174 -8.326 1.00 12.44 C ATOM 1633 OE1 GLU A 481 -12.770 -17.365 -8.194 1.00 50.03 O ATOM 1634 OE2 GLU A 481 -13.649 -15.759 -9.387 1.00 30.31 O ATOM 0 H GLU A 481 -12.463 -12.440 -6.929 1.00 1.43 H new ATOM 0 HA GLU A 481 -11.510 -14.227 -4.892 1.00 33.50 H new ATOM 0 HB2 GLU A 481 -11.148 -14.224 -7.928 1.00 31.25 H new ATOM 0 HB3 GLU A 481 -10.809 -15.583 -6.875 1.00 31.25 H new ATOM 0 HG2 GLU A 481 -13.228 -15.679 -6.226 1.00 14.21 H new ATOM 0 HG3 GLU A 481 -13.564 -14.328 -7.291 1.00 14.21 H new ATOM 1641 N SER A 482 -9.250 -12.392 -6.490 1.00 43.34 N ATOM 1642 CA SER A 482 -7.869 -11.831 -6.401 1.00 34.22 C ATOM 1643 C SER A 482 -7.654 -11.072 -5.070 1.00 73.15 C ATOM 1644 O SER A 482 -6.542 -11.034 -4.535 1.00 42.21 O ATOM 1645 CB SER A 482 -7.599 -10.866 -7.579 1.00 33.50 C ATOM 1646 OG SER A 482 -8.520 -9.790 -7.576 1.00 10.34 O ATOM 0 H SER A 482 -9.817 -11.964 -7.222 1.00 43.34 H new ATOM 0 HA SER A 482 -7.175 -12.670 -6.445 1.00 34.22 H new ATOM 0 HB2 SER A 482 -6.582 -10.479 -7.511 1.00 33.50 H new ATOM 0 HB3 SER A 482 -7.671 -11.408 -8.522 1.00 33.50 H new ATOM 0 HG SER A 482 -8.328 -9.193 -8.329 1.00 10.34 H new ATOM 1652 N LEU A 483 -8.738 -10.450 -4.572 1.00 22.25 N ATOM 1653 CA LEU A 483 -8.738 -9.714 -3.291 1.00 13.34 C ATOM 1654 C LEU A 483 -8.607 -10.674 -2.089 1.00 71.41 C ATOM 1655 O LEU A 483 -7.931 -10.354 -1.122 1.00 60.24 O ATOM 1656 CB LEU A 483 -10.015 -8.848 -3.182 1.00 43.11 C ATOM 1657 CG LEU A 483 -10.171 -7.970 -1.906 1.00 63.13 C ATOM 1658 CD1 LEU A 483 -8.963 -7.029 -1.697 1.00 4.21 C ATOM 1659 CD2 LEU A 483 -11.500 -7.182 -1.939 1.00 65.42 C ATOM 0 H LEU A 483 -9.641 -10.443 -5.046 1.00 22.25 H new ATOM 0 HA LEU A 483 -7.869 -9.057 -3.270 1.00 13.34 H new ATOM 0 HB2 LEU A 483 -10.053 -8.191 -4.051 1.00 43.11 H new ATOM 0 HB3 LEU A 483 -10.879 -9.510 -3.245 1.00 43.11 H new ATOM 0 HG LEU A 483 -10.198 -8.643 -1.049 1.00 63.13 H new ATOM 0 HD11 LEU A 483 -9.116 -6.436 -0.795 1.00 4.21 H new ATOM 0 HD12 LEU A 483 -8.054 -7.621 -1.592 1.00 4.21 H new ATOM 0 HD13 LEU A 483 -8.866 -6.365 -2.556 1.00 4.21 H new ATOM 0 HD21 LEU A 483 -11.586 -6.576 -1.037 1.00 65.42 H new ATOM 0 HD22 LEU A 483 -11.517 -6.533 -2.815 1.00 65.42 H new ATOM 0 HD23 LEU A 483 -12.336 -7.880 -1.988 1.00 65.42 H new ATOM 1671 N LYS A 484 -9.258 -11.854 -2.164 1.00 44.31 N ATOM 1672 CA LYS A 484 -9.078 -12.940 -1.163 1.00 23.11 C ATOM 1673 C LYS A 484 -7.633 -13.500 -1.194 1.00 64.22 C ATOM 1674 O LYS A 484 -7.100 -13.931 -0.163 1.00 74.44 O ATOM 1675 CB LYS A 484 -10.119 -14.067 -1.384 1.00 22.31 C ATOM 1676 CG LYS A 484 -11.554 -13.706 -0.930 1.00 12.02 C ATOM 1677 CD LYS A 484 -12.566 -14.849 -1.194 1.00 11.12 C ATOM 1678 CE LYS A 484 -13.898 -14.660 -0.438 1.00 73.14 C ATOM 1679 NZ LYS A 484 -14.563 -13.364 -0.736 1.00 62.35 N ATOM 0 H LYS A 484 -9.916 -12.084 -2.908 1.00 44.31 H new ATOM 0 HA LYS A 484 -9.244 -12.515 -0.173 1.00 23.11 H new ATOM 0 HB2 LYS A 484 -10.139 -14.324 -2.443 1.00 22.31 H new ATOM 0 HB3 LYS A 484 -9.793 -14.957 -0.846 1.00 22.31 H new ATOM 0 HG2 LYS A 484 -11.546 -13.471 0.134 1.00 12.02 H new ATOM 0 HG3 LYS A 484 -11.882 -12.807 -1.453 1.00 12.02 H new ATOM 0 HD2 LYS A 484 -12.767 -14.909 -2.264 1.00 11.12 H new ATOM 0 HD3 LYS A 484 -12.119 -15.798 -0.900 1.00 11.12 H new ATOM 0 HE2 LYS A 484 -14.574 -15.475 -0.697 1.00 73.14 H new ATOM 0 HE3 LYS A 484 -13.712 -14.728 0.634 1.00 73.14 H new ATOM 0 HZ1 LYS A 484 -15.564 -13.415 -0.458 1.00 62.35 H new ATOM 0 HZ2 LYS A 484 -14.095 -12.603 -0.204 1.00 62.35 H new ATOM 0 HZ3 LYS A 484 -14.496 -13.166 -1.755 1.00 62.35 H new ATOM 1693 N GLY A 485 -7.016 -13.479 -2.391 1.00 72.42 N ATOM 1694 CA GLY A 485 -5.580 -13.748 -2.535 1.00 71.42 C ATOM 1695 C GLY A 485 -4.720 -12.694 -1.818 1.00 41.24 C ATOM 1696 O GLY A 485 -3.773 -13.035 -1.115 1.00 75.32 O ATOM 0 H GLY A 485 -7.493 -13.278 -3.270 1.00 72.42 H new ATOM 0 HA2 GLY A 485 -5.354 -14.735 -2.132 1.00 71.42 H new ATOM 0 HA3 GLY A 485 -5.320 -13.769 -3.593 1.00 71.42 H new ATOM 1700 N LEU A 486 -5.102 -11.408 -1.968 1.00 62.45 N ATOM 1701 CA LEU A 486 -4.416 -10.257 -1.322 1.00 2.24 C ATOM 1702 C LEU A 486 -4.590 -10.286 0.228 1.00 1.44 C ATOM 1703 O LEU A 486 -3.681 -9.907 0.973 1.00 74.44 O ATOM 1704 CB LEU A 486 -4.961 -8.926 -1.919 1.00 24.21 C ATOM 1705 CG LEU A 486 -4.206 -7.618 -1.512 1.00 22.32 C ATOM 1706 CD1 LEU A 486 -2.724 -7.663 -1.953 1.00 75.41 C ATOM 1707 CD2 LEU A 486 -4.927 -6.360 -2.065 1.00 62.11 C ATOM 0 H LEU A 486 -5.898 -11.132 -2.543 1.00 62.45 H new ATOM 0 HA LEU A 486 -3.348 -10.329 -1.526 1.00 2.24 H new ATOM 0 HB2 LEU A 486 -4.942 -9.007 -3.006 1.00 24.21 H new ATOM 0 HB3 LEU A 486 -6.005 -8.823 -1.625 1.00 24.21 H new ATOM 0 HG LEU A 486 -4.219 -7.552 -0.424 1.00 22.32 H new ATOM 0 HD11 LEU A 486 -2.228 -6.739 -1.655 1.00 75.41 H new ATOM 0 HD12 LEU A 486 -2.229 -8.510 -1.479 1.00 75.41 H new ATOM 0 HD13 LEU A 486 -2.670 -7.771 -3.036 1.00 75.41 H new ATOM 0 HD21 LEU A 486 -4.380 -5.466 -1.766 1.00 62.11 H new ATOM 0 HD22 LEU A 486 -4.969 -6.413 -3.153 1.00 62.11 H new ATOM 0 HD23 LEU A 486 -5.940 -6.316 -1.665 1.00 62.11 H new ATOM 1719 N TYR A 487 -5.771 -10.765 0.688 1.00 31.02 N ATOM 1720 CA TYR A 487 -6.059 -11.036 2.125 1.00 63.12 C ATOM 1721 C TYR A 487 -5.031 -12.043 2.714 1.00 31.53 C ATOM 1722 O TYR A 487 -4.572 -11.887 3.849 1.00 53.20 O ATOM 1723 CB TYR A 487 -7.517 -11.588 2.310 1.00 42.14 C ATOM 1724 CG TYR A 487 -8.627 -10.523 2.451 1.00 64.23 C ATOM 1725 CD1 TYR A 487 -8.737 -9.780 3.619 1.00 14.04 C ATOM 1726 CD2 TYR A 487 -9.567 -10.277 1.446 1.00 30.11 C ATOM 1727 CE1 TYR A 487 -9.726 -8.832 3.785 1.00 43.22 C ATOM 1728 CE2 TYR A 487 -10.562 -9.329 1.608 1.00 14.23 C ATOM 1729 CZ TYR A 487 -10.635 -8.609 2.781 1.00 34.11 C ATOM 1730 OH TYR A 487 -11.623 -7.666 2.953 1.00 34.04 O ATOM 0 H TYR A 487 -6.557 -10.977 0.073 1.00 31.02 H new ATOM 0 HA TYR A 487 -5.973 -10.093 2.664 1.00 63.12 H new ATOM 0 HB2 TYR A 487 -7.756 -12.223 1.457 1.00 42.14 H new ATOM 0 HB3 TYR A 487 -7.535 -12.223 3.195 1.00 42.14 H new ATOM 0 HD1 TYR A 487 -8.030 -9.948 4.418 1.00 14.04 H new ATOM 0 HD2 TYR A 487 -9.516 -10.838 0.525 1.00 30.11 H new ATOM 0 HE1 TYR A 487 -9.785 -8.267 4.703 1.00 43.22 H new ATOM 0 HE2 TYR A 487 -11.278 -9.154 0.819 1.00 14.23 H new ATOM 0 HH TYR A 487 -11.399 -7.093 3.715 1.00 34.04 H new ATOM 1740 N ARG A 488 -4.681 -13.071 1.914 1.00 64.33 N ATOM 1741 CA ARG A 488 -3.685 -14.095 2.299 1.00 0.20 C ATOM 1742 C ARG A 488 -2.239 -13.548 2.269 1.00 73.33 C ATOM 1743 O ARG A 488 -1.501 -13.740 3.227 1.00 73.00 O ATOM 1744 CB ARG A 488 -3.810 -15.348 1.389 1.00 33.14 C ATOM 1745 CG ARG A 488 -5.014 -16.258 1.715 1.00 70.03 C ATOM 1746 CD ARG A 488 -4.922 -16.858 3.138 1.00 41.13 C ATOM 1747 NE ARG A 488 -5.906 -17.928 3.377 1.00 71.20 N ATOM 1748 CZ ARG A 488 -5.658 -19.223 3.291 1.00 75.00 C ATOM 1749 NH1 ARG A 488 -4.504 -19.665 2.881 1.00 42.03 N ATOM 1750 NH2 ARG A 488 -6.578 -20.072 3.605 1.00 64.23 N ATOM 0 H ARG A 488 -5.079 -13.215 0.986 1.00 64.33 H new ATOM 0 HA ARG A 488 -3.901 -14.380 3.329 1.00 0.20 H new ATOM 0 HB2 ARG A 488 -3.887 -15.022 0.352 1.00 33.14 H new ATOM 0 HB3 ARG A 488 -2.895 -15.934 1.471 1.00 33.14 H new ATOM 0 HG2 ARG A 488 -5.936 -15.685 1.623 1.00 70.03 H new ATOM 0 HG3 ARG A 488 -5.066 -17.065 0.984 1.00 70.03 H new ATOM 0 HD2 ARG A 488 -3.918 -17.253 3.295 1.00 41.13 H new ATOM 0 HD3 ARG A 488 -5.071 -16.065 3.871 1.00 41.13 H new ATOM 0 HE ARG A 488 -6.854 -17.647 3.629 1.00 71.20 H new ATOM 0 HH11 ARG A 488 -3.770 -19.007 2.619 1.00 42.03 H new ATOM 0 HH12 ARG A 488 -4.334 -20.669 2.822 1.00 42.03 H new ATOM 0 HH21 ARG A 488 -7.491 -19.742 3.918 1.00 64.23 H new ATOM 0 HH22 ARG A 488 -6.392 -21.073 3.540 1.00 64.23 H new ATOM 1764 N ILE A 489 -1.853 -12.865 1.171 1.00 65.10 N ATOM 1765 CA ILE A 489 -0.468 -12.344 0.995 1.00 72.42 C ATOM 1766 C ILE A 489 -0.081 -11.383 2.146 1.00 61.54 C ATOM 1767 O ILE A 489 0.923 -11.584 2.837 1.00 22.05 O ATOM 1768 CB ILE A 489 -0.305 -11.585 -0.379 1.00 31.11 C ATOM 1769 CG1 ILE A 489 -0.655 -12.512 -1.588 1.00 61.22 C ATOM 1770 CG2 ILE A 489 1.127 -10.998 -0.536 1.00 11.00 C ATOM 1771 CD1 ILE A 489 -0.728 -11.799 -2.933 1.00 40.22 C ATOM 0 H ILE A 489 -2.476 -12.658 0.390 1.00 65.10 H new ATOM 0 HA ILE A 489 0.195 -13.209 1.006 1.00 72.42 H new ATOM 0 HB ILE A 489 -1.012 -10.755 -0.375 1.00 31.11 H new ATOM 0 HG12 ILE A 489 0.092 -13.303 -1.651 1.00 61.22 H new ATOM 0 HG13 ILE A 489 -1.613 -12.994 -1.394 1.00 61.22 H new ATOM 0 HG21 ILE A 489 1.206 -10.482 -1.493 1.00 11.00 H new ATOM 0 HG22 ILE A 489 1.323 -10.294 0.273 1.00 11.00 H new ATOM 0 HG23 ILE A 489 1.858 -11.806 -0.499 1.00 11.00 H new ATOM 0 HD11 ILE A 489 -0.976 -12.519 -3.713 1.00 40.22 H new ATOM 0 HD12 ILE A 489 -1.496 -11.027 -2.894 1.00 40.22 H new ATOM 0 HD13 ILE A 489 0.236 -11.341 -3.155 1.00 40.22 H new ATOM 1783 N MET A 490 -0.930 -10.373 2.362 1.00 50.14 N ATOM 1784 CA MET A 490 -0.691 -9.328 3.375 1.00 40.52 C ATOM 1785 C MET A 490 -0.976 -9.858 4.801 1.00 71.00 C ATOM 1786 O MET A 490 -0.400 -9.371 5.781 1.00 41.44 O ATOM 1787 CB MET A 490 -1.535 -8.075 3.032 1.00 23.33 C ATOM 1788 CG MET A 490 -1.331 -7.576 1.589 1.00 60.04 C ATOM 1789 SD MET A 490 -2.215 -6.044 1.224 1.00 2.20 S ATOM 1790 CE MET A 490 -1.214 -4.844 2.094 1.00 31.35 C ATOM 0 H MET A 490 -1.800 -10.253 1.844 1.00 50.14 H new ATOM 0 HA MET A 490 0.361 -9.042 3.360 1.00 40.52 H new ATOM 0 HB2 MET A 490 -2.590 -8.304 3.184 1.00 23.33 H new ATOM 0 HB3 MET A 490 -1.280 -7.273 3.725 1.00 23.33 H new ATOM 0 HG2 MET A 490 -0.266 -7.422 1.413 1.00 60.04 H new ATOM 0 HG3 MET A 490 -1.660 -8.350 0.896 1.00 60.04 H new ATOM 0 HE1 MET A 490 -1.845 -4.265 2.769 1.00 31.35 H new ATOM 0 HE2 MET A 490 -0.445 -5.360 2.669 1.00 31.35 H new ATOM 0 HE3 MET A 490 -0.741 -4.175 1.375 1.00 31.35 H new ATOM 1800 N GLY A 491 -1.845 -10.891 4.890 1.00 61.53 N ATOM 1801 CA GLY A 491 -2.109 -11.602 6.150 1.00 10.10 C ATOM 1802 C GLY A 491 -0.914 -12.447 6.635 1.00 55.33 C ATOM 1803 O GLY A 491 -0.711 -12.611 7.843 1.00 63.31 O ATOM 0 H GLY A 491 -2.375 -11.248 4.095 1.00 61.53 H new ATOM 0 HA2 GLY A 491 -2.369 -10.877 6.921 1.00 10.10 H new ATOM 0 HA3 GLY A 491 -2.975 -12.251 6.018 1.00 10.10 H new ATOM 1807 N ASN A 492 -0.125 -12.992 5.678 1.00 44.02 N ATOM 1808 CA ASN A 492 1.125 -13.752 5.972 1.00 21.41 C ATOM 1809 C ASN A 492 2.239 -12.832 6.530 1.00 21.35 C ATOM 1810 O ASN A 492 3.175 -13.301 7.189 1.00 41.14 O ATOM 1811 CB ASN A 492 1.625 -14.496 4.694 1.00 11.11 C ATOM 1812 CG ASN A 492 0.796 -15.731 4.329 1.00 31.24 C ATOM 1813 OD1 ASN A 492 -0.380 -15.844 4.660 1.00 71.52 O ATOM 1814 ND2 ASN A 492 1.405 -16.668 3.624 1.00 53.12 N ATOM 0 H ASN A 492 -0.332 -12.920 4.682 1.00 44.02 H new ATOM 0 HA ASN A 492 0.888 -14.487 6.741 1.00 21.41 H new ATOM 0 HB2 ASN A 492 1.613 -13.802 3.854 1.00 11.11 H new ATOM 0 HB3 ASN A 492 2.662 -14.798 4.844 1.00 11.11 H new ATOM 0 HD21 ASN A 492 0.897 -17.507 3.344 1.00 53.12 H new ATOM 0 HD22 ASN A 492 2.383 -16.553 3.360 1.00 53.12 H new ATOM 1821 N GLY A 493 2.120 -11.522 6.262 1.00 72.41 N ATOM 1822 CA GLY A 493 3.089 -10.526 6.730 1.00 12.44 C ATOM 1823 C GLY A 493 3.802 -9.827 5.583 1.00 73.31 C ATOM 1824 O GLY A 493 5.036 -9.747 5.553 1.00 35.53 O ATOM 0 H GLY A 493 1.353 -11.128 5.718 1.00 72.41 H new ATOM 0 HA2 GLY A 493 2.576 -9.784 7.342 1.00 12.44 H new ATOM 0 HA3 GLY A 493 3.826 -11.012 7.370 1.00 12.44 H new ATOM 1828 N PHE A 494 3.010 -9.333 4.617 1.00 3.11 N ATOM 1829 CA PHE A 494 3.508 -8.517 3.488 1.00 33.14 C ATOM 1830 C PHE A 494 2.769 -7.167 3.442 1.00 24.44 C ATOM 1831 O PHE A 494 1.623 -7.044 3.876 1.00 34.34 O ATOM 1832 CB PHE A 494 3.363 -9.270 2.136 1.00 50.22 C ATOM 1833 CG PHE A 494 4.356 -10.421 1.961 1.00 33.25 C ATOM 1834 CD1 PHE A 494 4.095 -11.687 2.487 1.00 33.53 C ATOM 1835 CD2 PHE A 494 5.560 -10.228 1.282 1.00 72.21 C ATOM 1836 CE1 PHE A 494 5.004 -12.717 2.340 1.00 4.45 C ATOM 1837 CE2 PHE A 494 6.467 -11.261 1.132 1.00 43.42 C ATOM 1838 CZ PHE A 494 6.189 -12.504 1.665 1.00 12.23 C ATOM 0 H PHE A 494 2.002 -9.487 4.594 1.00 3.11 H new ATOM 0 HA PHE A 494 4.570 -8.331 3.647 1.00 33.14 H new ATOM 0 HB2 PHE A 494 2.349 -9.662 2.056 1.00 50.22 H new ATOM 0 HB3 PHE A 494 3.496 -8.560 1.319 1.00 50.22 H new ATOM 0 HD1 PHE A 494 3.170 -11.864 3.016 1.00 33.53 H new ATOM 0 HD2 PHE A 494 5.787 -9.257 0.867 1.00 72.21 H new ATOM 0 HE1 PHE A 494 4.787 -13.691 2.754 1.00 4.45 H new ATOM 0 HE2 PHE A 494 7.391 -11.096 0.599 1.00 43.42 H new ATOM 0 HZ PHE A 494 6.899 -13.310 1.554 1.00 12.23 H new ATOM 1848 N ALA A 495 3.461 -6.163 2.913 1.00 52.21 N ATOM 1849 CA ALA A 495 2.963 -4.790 2.775 1.00 54.32 C ATOM 1850 C ALA A 495 2.857 -4.406 1.294 1.00 44.24 C ATOM 1851 O ALA A 495 3.531 -4.995 0.433 1.00 14.20 O ATOM 1852 CB ALA A 495 3.910 -3.845 3.495 1.00 4.52 C ATOM 0 H ALA A 495 4.410 -6.280 2.557 1.00 52.21 H new ATOM 0 HA ALA A 495 1.969 -4.719 3.217 1.00 54.32 H new ATOM 0 HB1 ALA A 495 3.547 -2.822 3.397 1.00 4.52 H new ATOM 0 HB2 ALA A 495 3.959 -4.113 4.550 1.00 4.52 H new ATOM 0 HB3 ALA A 495 4.904 -3.921 3.055 1.00 4.52 H new ATOM 1858 N GLY A 496 2.031 -3.396 1.014 1.00 4.33 N ATOM 1859 CA GLY A 496 1.826 -2.898 -0.340 1.00 14.11 C ATOM 1860 C GLY A 496 2.351 -1.478 -0.525 1.00 51.10 C ATOM 1861 O GLY A 496 1.611 -0.515 -0.330 1.00 13.54 O ATOM 0 H GLY A 496 1.487 -2.903 1.722 1.00 4.33 H new ATOM 0 HA2 GLY A 496 2.324 -3.561 -1.047 1.00 14.11 H new ATOM 0 HA3 GLY A 496 0.762 -2.922 -0.576 1.00 14.11 H new ATOM 1865 N CYS A 497 3.634 -1.334 -0.896 1.00 41.55 N ATOM 1866 CA CYS A 497 4.233 -0.009 -1.182 1.00 33.03 C ATOM 1867 C CYS A 497 3.693 0.541 -2.525 1.00 42.23 C ATOM 1868 O CYS A 497 4.193 0.190 -3.600 1.00 12.40 O ATOM 1869 CB CYS A 497 5.779 -0.102 -1.205 1.00 71.12 C ATOM 1870 SG CYS A 497 6.610 1.490 -1.406 1.00 40.12 S ATOM 0 H CYS A 497 4.280 -2.115 -1.006 1.00 41.55 H new ATOM 0 HA CYS A 497 3.950 0.682 -0.387 1.00 33.03 H new ATOM 0 HB2 CYS A 497 6.119 -0.563 -0.277 1.00 71.12 H new ATOM 0 HB3 CYS A 497 6.081 -0.763 -2.018 1.00 71.12 H new ATOM 0 HG CYS A 497 7.194 1.531 -2.567 1.00 40.12 H new ATOM 1876 N VAL A 498 2.633 1.368 -2.448 1.00 23.15 N ATOM 1877 CA VAL A 498 1.940 1.908 -3.635 1.00 41.03 C ATOM 1878 C VAL A 498 2.687 3.137 -4.205 1.00 11.24 C ATOM 1879 O VAL A 498 2.642 4.226 -3.626 1.00 41.55 O ATOM 1880 CB VAL A 498 0.447 2.292 -3.300 1.00 42.11 C ATOM 1881 CG1 VAL A 498 -0.304 2.823 -4.550 1.00 51.23 C ATOM 1882 CG2 VAL A 498 -0.314 1.100 -2.661 1.00 11.04 C ATOM 0 H VAL A 498 2.233 1.681 -1.563 1.00 23.15 H new ATOM 0 HA VAL A 498 1.933 1.123 -4.391 1.00 41.03 H new ATOM 0 HB VAL A 498 0.481 3.100 -2.569 1.00 42.11 H new ATOM 0 HG11 VAL A 498 -1.329 3.077 -4.278 1.00 51.23 H new ATOM 0 HG12 VAL A 498 0.202 3.712 -4.928 1.00 51.23 H new ATOM 0 HG13 VAL A 498 -0.313 2.054 -5.323 1.00 51.23 H new ATOM 0 HG21 VAL A 498 -1.339 1.398 -2.442 1.00 11.04 H new ATOM 0 HG22 VAL A 498 -0.321 0.259 -3.354 1.00 11.04 H new ATOM 0 HG23 VAL A 498 0.183 0.805 -1.737 1.00 11.04 H new ATOM 1892 N HIS A 499 3.390 2.936 -5.331 1.00 24.45 N ATOM 1893 CA HIS A 499 4.105 4.015 -6.047 1.00 33.15 C ATOM 1894 C HIS A 499 3.220 4.605 -7.178 1.00 23.11 C ATOM 1895 O HIS A 499 2.760 3.880 -8.073 1.00 21.45 O ATOM 1896 CB HIS A 499 5.443 3.495 -6.636 1.00 5.44 C ATOM 1897 CG HIS A 499 6.457 3.051 -5.602 1.00 34.32 C ATOM 1898 ND1 HIS A 499 7.425 3.911 -5.129 1.00 45.30 N ATOM 1899 CD2 HIS A 499 6.624 1.840 -5.010 1.00 11.22 C ATOM 1900 CE1 HIS A 499 8.149 3.212 -4.274 1.00 3.23 C ATOM 1901 NE2 HIS A 499 7.704 1.953 -4.170 1.00 5.05 N ATOM 0 H HIS A 499 3.481 2.022 -5.774 1.00 24.45 H new ATOM 0 HA HIS A 499 4.325 4.804 -5.328 1.00 33.15 H new ATOM 0 HB2 HIS A 499 5.231 2.658 -7.301 1.00 5.44 H new ATOM 0 HB3 HIS A 499 5.886 4.282 -7.246 1.00 5.44 H new ATOM 0 HD1 HIS A 499 7.556 4.889 -5.387 1.00 45.30 H new ATOM 0 HD2 HIS A 499 6.022 0.957 -5.170 1.00 11.22 H new ATOM 0 HE1 HIS A 499 8.993 3.606 -3.728 1.00 3.23 H new ATOM 1909 N PHE A 500 2.986 5.923 -7.108 1.00 12.50 N ATOM 1910 CA PHE A 500 2.284 6.694 -8.158 1.00 2.43 C ATOM 1911 C PHE A 500 3.224 6.933 -9.376 1.00 52.32 C ATOM 1912 O PHE A 500 4.421 7.180 -9.180 1.00 22.21 O ATOM 1913 CB PHE A 500 1.805 8.067 -7.590 1.00 40.22 C ATOM 1914 CG PHE A 500 0.682 8.001 -6.542 1.00 44.45 C ATOM 1915 CD1 PHE A 500 0.792 7.194 -5.404 1.00 44.22 C ATOM 1916 CD2 PHE A 500 -0.479 8.765 -6.687 1.00 34.40 C ATOM 1917 CE1 PHE A 500 -0.217 7.149 -4.459 1.00 43.51 C ATOM 1918 CE2 PHE A 500 -1.488 8.716 -5.741 1.00 33.42 C ATOM 1919 CZ PHE A 500 -1.357 7.908 -4.628 1.00 72.14 C ATOM 0 H PHE A 500 3.279 6.494 -6.316 1.00 12.50 H new ATOM 0 HA PHE A 500 1.418 6.119 -8.485 1.00 2.43 H new ATOM 0 HB2 PHE A 500 2.662 8.574 -7.146 1.00 40.22 H new ATOM 0 HB3 PHE A 500 1.465 8.684 -8.421 1.00 40.22 H new ATOM 0 HD1 PHE A 500 1.680 6.596 -5.261 1.00 44.22 H new ATOM 0 HD2 PHE A 500 -0.591 9.404 -7.551 1.00 34.40 H new ATOM 0 HE1 PHE A 500 -0.113 6.519 -3.588 1.00 43.51 H new ATOM 0 HE2 PHE A 500 -2.380 9.311 -5.873 1.00 33.42 H new ATOM 0 HZ PHE A 500 -2.146 7.870 -3.891 1.00 72.14 H new ATOM 1929 N PRO A 501 2.706 6.812 -10.648 1.00 12.12 N ATOM 1930 CA PRO A 501 3.443 7.229 -11.885 1.00 52.34 C ATOM 1931 C PRO A 501 4.127 8.629 -11.783 1.00 74.52 C ATOM 1932 O PRO A 501 5.291 8.805 -12.170 1.00 22.13 O ATOM 1933 CB PRO A 501 2.316 7.247 -12.949 1.00 74.53 C ATOM 1934 CG PRO A 501 1.359 6.181 -12.502 1.00 44.12 C ATOM 1935 CD PRO A 501 1.393 6.187 -10.983 1.00 44.13 C ATOM 0 HA PRO A 501 4.274 6.558 -12.102 1.00 52.34 H new ATOM 0 HB2 PRO A 501 1.830 8.222 -12.996 1.00 74.53 H new ATOM 0 HB3 PRO A 501 2.707 7.037 -13.945 1.00 74.53 H new ATOM 0 HG2 PRO A 501 0.353 6.383 -12.869 1.00 44.12 H new ATOM 0 HG3 PRO A 501 1.652 5.207 -12.894 1.00 44.12 H new ATOM 0 HD2 PRO A 501 0.563 6.759 -10.568 1.00 44.13 H new ATOM 0 HD3 PRO A 501 1.318 5.177 -10.579 1.00 44.13 H new ATOM 2024 N VAL A 508 2.275 13.877 -2.637 1.00 75.11 N ATOM 2025 CA VAL A 508 1.784 12.471 -2.696 1.00 71.33 C ATOM 2026 C VAL A 508 2.234 11.757 -4.001 1.00 33.43 C ATOM 2027 O VAL A 508 1.811 12.121 -5.104 1.00 12.31 O ATOM 2028 CB VAL A 508 0.216 12.360 -2.584 1.00 52.14 C ATOM 2029 CG1 VAL A 508 -0.226 10.868 -2.511 1.00 51.15 C ATOM 2030 CG2 VAL A 508 -0.337 13.168 -1.382 1.00 10.13 C ATOM 0 HA VAL A 508 2.230 11.980 -1.831 1.00 71.33 H new ATOM 0 HB VAL A 508 -0.210 12.800 -3.486 1.00 52.14 H new ATOM 0 HG11 VAL A 508 -1.312 10.814 -2.434 1.00 51.15 H new ATOM 0 HG12 VAL A 508 0.101 10.347 -3.411 1.00 51.15 H new ATOM 0 HG13 VAL A 508 0.224 10.398 -1.637 1.00 51.15 H new ATOM 0 HG21 VAL A 508 -1.421 13.064 -1.342 1.00 10.13 H new ATOM 0 HG22 VAL A 508 0.098 12.789 -0.457 1.00 10.13 H new ATOM 0 HG23 VAL A 508 -0.077 14.220 -1.500 1.00 10.13 H new ATOM 2040 N ARG A 509 3.090 10.741 -3.836 1.00 23.00 N ATOM 2041 CA ARG A 509 3.650 9.940 -4.946 1.00 45.33 C ATOM 2042 C ARG A 509 4.038 8.511 -4.494 1.00 31.51 C ATOM 2043 O ARG A 509 4.456 7.681 -5.310 1.00 71.15 O ATOM 2044 CB ARG A 509 4.846 10.696 -5.589 1.00 52.21 C ATOM 2045 CG ARG A 509 5.994 11.143 -4.642 1.00 70.32 C ATOM 2046 CD ARG A 509 7.028 10.052 -4.321 1.00 34.21 C ATOM 2047 NE ARG A 509 8.118 10.566 -3.468 1.00 73.12 N ATOM 2048 CZ ARG A 509 9.359 10.784 -3.855 1.00 52.03 C ATOM 2049 NH1 ARG A 509 9.761 10.462 -5.046 1.00 61.14 N ATOM 2050 NH2 ARG A 509 10.202 11.299 -3.028 1.00 32.22 N ATOM 0 H ARG A 509 3.421 10.444 -2.918 1.00 23.00 H new ATOM 0 HA ARG A 509 2.877 9.813 -5.704 1.00 45.33 H new ATOM 0 HB2 ARG A 509 5.274 10.057 -6.361 1.00 52.21 H new ATOM 0 HB3 ARG A 509 4.456 11.582 -6.089 1.00 52.21 H new ATOM 0 HG2 ARG A 509 6.509 11.990 -5.094 1.00 70.32 H new ATOM 0 HG3 ARG A 509 5.558 11.497 -3.708 1.00 70.32 H new ATOM 0 HD2 ARG A 509 6.535 9.220 -3.819 1.00 34.21 H new ATOM 0 HD3 ARG A 509 7.446 9.662 -5.249 1.00 34.21 H new ATOM 0 HE ARG A 509 7.891 10.770 -2.495 1.00 73.12 H new ATOM 0 HH11 ARG A 509 9.112 10.031 -5.704 1.00 61.14 H new ATOM 0 HH12 ARG A 509 10.726 10.640 -5.324 1.00 61.14 H new ATOM 0 HH21 ARG A 509 9.907 11.535 -2.080 1.00 32.22 H new ATOM 0 HH22 ARG A 509 11.164 11.470 -3.321 1.00 32.22 H new ATOM 2064 N VAL A 510 3.934 8.259 -3.184 1.00 73.22 N ATOM 2065 CA VAL A 510 4.115 6.923 -2.588 1.00 2.34 C ATOM 2066 C VAL A 510 3.353 6.847 -1.241 1.00 12.43 C ATOM 2067 O VAL A 510 3.237 7.851 -0.527 1.00 32.21 O ATOM 2068 CB VAL A 510 5.642 6.569 -2.384 1.00 53.33 C ATOM 2069 CG1 VAL A 510 6.323 7.517 -1.364 1.00 22.41 C ATOM 2070 CG2 VAL A 510 5.842 5.075 -2.007 1.00 55.43 C ATOM 0 H VAL A 510 3.720 8.982 -2.497 1.00 73.22 H new ATOM 0 HA VAL A 510 3.706 6.186 -3.279 1.00 2.34 H new ATOM 0 HB VAL A 510 6.136 6.726 -3.343 1.00 53.33 H new ATOM 0 HG11 VAL A 510 7.371 7.239 -1.253 1.00 22.41 H new ATOM 0 HG12 VAL A 510 6.256 8.545 -1.721 1.00 22.41 H new ATOM 0 HG13 VAL A 510 5.822 7.434 -0.400 1.00 22.41 H new ATOM 0 HG21 VAL A 510 6.905 4.872 -1.876 1.00 55.43 H new ATOM 0 HG22 VAL A 510 5.314 4.860 -1.078 1.00 55.43 H new ATOM 0 HG23 VAL A 510 5.448 4.443 -2.803 1.00 55.43 H new ATOM 2080 N LEU A 511 2.801 5.667 -0.923 1.00 54.54 N ATOM 2081 CA LEU A 511 2.150 5.413 0.376 1.00 54.03 C ATOM 2082 C LEU A 511 2.239 3.923 0.755 1.00 14.13 C ATOM 2083 O LEU A 511 2.589 3.076 -0.075 1.00 74.32 O ATOM 2084 CB LEU A 511 0.679 5.942 0.365 1.00 22.30 C ATOM 2085 CG LEU A 511 -0.330 5.303 -0.662 1.00 75.31 C ATOM 2086 CD1 LEU A 511 -0.919 3.963 -0.162 1.00 33.32 C ATOM 2087 CD2 LEU A 511 -1.462 6.289 -1.037 1.00 0.11 C ATOM 0 H LEU A 511 2.792 4.865 -1.553 1.00 54.54 H new ATOM 0 HA LEU A 511 2.683 5.964 1.150 1.00 54.03 H new ATOM 0 HB2 LEU A 511 0.268 5.806 1.365 1.00 22.30 H new ATOM 0 HB3 LEU A 511 0.712 7.015 0.177 1.00 22.30 H new ATOM 0 HG LEU A 511 0.248 5.087 -1.560 1.00 75.31 H new ATOM 0 HD11 LEU A 511 -1.608 3.567 -0.908 1.00 33.32 H new ATOM 0 HD12 LEU A 511 -0.112 3.249 0.002 1.00 33.32 H new ATOM 0 HD13 LEU A 511 -1.453 4.127 0.774 1.00 33.32 H new ATOM 0 HD21 LEU A 511 -2.138 5.813 -1.747 1.00 0.11 H new ATOM 0 HD22 LEU A 511 -2.015 6.567 -0.140 1.00 0.11 H new ATOM 0 HD23 LEU A 511 -1.031 7.183 -1.489 1.00 0.11 H new ATOM 2099 N MET A 512 1.922 3.613 2.020 1.00 54.54 N ATOM 2100 CA MET A 512 1.858 2.223 2.514 1.00 24.32 C ATOM 2101 C MET A 512 0.414 1.719 2.633 1.00 55.13 C ATOM 2102 O MET A 512 -0.363 2.210 3.449 1.00 4.31 O ATOM 2103 CB MET A 512 2.594 2.077 3.879 1.00 62.41 C ATOM 2104 CG MET A 512 4.012 1.556 3.725 1.00 61.12 C ATOM 2105 SD MET A 512 4.036 0.004 2.811 1.00 75.41 S ATOM 2106 CE MET A 512 5.787 -0.218 2.596 1.00 34.03 C ATOM 0 H MET A 512 1.703 4.312 2.730 1.00 54.54 H new ATOM 0 HA MET A 512 2.366 1.603 1.775 1.00 24.32 H new ATOM 0 HB2 MET A 512 2.619 3.045 4.380 1.00 62.41 H new ATOM 0 HB3 MET A 512 2.030 1.400 4.521 1.00 62.41 H new ATOM 0 HG2 MET A 512 4.621 2.297 3.206 1.00 61.12 H new ATOM 0 HG3 MET A 512 4.458 1.409 4.709 1.00 61.12 H new ATOM 0 HE1 MET A 512 6.023 -1.282 2.609 1.00 34.03 H new ATOM 0 HE2 MET A 512 6.094 0.211 1.642 1.00 34.03 H new ATOM 0 HE3 MET A 512 6.319 0.281 3.406 1.00 34.03 H new ATOM 2116 N LEU A 513 0.091 0.716 1.818 1.00 1.32 N ATOM 2117 CA LEU A 513 -1.127 -0.078 1.977 1.00 12.33 C ATOM 2118 C LEU A 513 -0.848 -1.151 3.051 1.00 63.42 C ATOM 2119 O LEU A 513 0.019 -2.012 2.860 1.00 61.31 O ATOM 2120 CB LEU A 513 -1.526 -0.752 0.636 1.00 73.10 C ATOM 2121 CG LEU A 513 -2.892 -1.514 0.642 1.00 43.25 C ATOM 2122 CD1 LEU A 513 -4.066 -0.530 0.743 1.00 43.13 C ATOM 2123 CD2 LEU A 513 -3.047 -2.444 -0.583 1.00 74.14 C ATOM 0 H LEU A 513 0.668 0.430 1.027 1.00 1.32 H new ATOM 0 HA LEU A 513 -1.955 0.563 2.279 1.00 12.33 H new ATOM 0 HB2 LEU A 513 -1.561 0.014 -0.138 1.00 73.10 H new ATOM 0 HB3 LEU A 513 -0.740 -1.453 0.355 1.00 73.10 H new ATOM 0 HG LEU A 513 -2.902 -2.151 1.526 1.00 43.25 H new ATOM 0 HD11 LEU A 513 -5.005 -1.083 0.745 1.00 43.13 H new ATOM 0 HD12 LEU A 513 -3.981 0.045 1.665 1.00 43.13 H new ATOM 0 HD13 LEU A 513 -4.047 0.148 -0.110 1.00 43.13 H new ATOM 0 HD21 LEU A 513 -4.011 -2.951 -0.535 1.00 74.14 H new ATOM 0 HD22 LEU A 513 -2.993 -1.853 -1.497 1.00 74.14 H new ATOM 0 HD23 LEU A 513 -2.247 -3.184 -0.582 1.00 74.14 H new ATOM 2135 N LEU A 514 -1.555 -1.077 4.190 1.00 42.42 N ATOM 2136 CA LEU A 514 -1.358 -2.002 5.327 1.00 4.21 C ATOM 2137 C LEU A 514 -2.704 -2.604 5.759 1.00 52.11 C ATOM 2138 O LEU A 514 -3.556 -1.912 6.316 1.00 24.02 O ATOM 2139 CB LEU A 514 -0.681 -1.264 6.516 1.00 25.22 C ATOM 2140 CG LEU A 514 0.765 -0.743 6.252 1.00 34.42 C ATOM 2141 CD1 LEU A 514 1.293 0.070 7.449 1.00 20.34 C ATOM 2142 CD2 LEU A 514 1.731 -1.899 5.899 1.00 71.11 C ATOM 0 H LEU A 514 -2.279 -0.377 4.352 1.00 42.42 H new ATOM 0 HA LEU A 514 -0.702 -2.812 5.010 1.00 4.21 H new ATOM 0 HB2 LEU A 514 -1.307 -0.417 6.798 1.00 25.22 H new ATOM 0 HB3 LEU A 514 -0.654 -1.939 7.371 1.00 25.22 H new ATOM 0 HG LEU A 514 0.717 -0.078 5.389 1.00 34.42 H new ATOM 0 HD11 LEU A 514 2.303 0.419 7.234 1.00 20.34 H new ATOM 0 HD12 LEU A 514 0.642 0.927 7.622 1.00 20.34 H new ATOM 0 HD13 LEU A 514 1.308 -0.560 8.338 1.00 20.34 H new ATOM 0 HD21 LEU A 514 2.729 -1.498 5.722 1.00 71.11 H new ATOM 0 HD22 LEU A 514 1.767 -2.609 6.726 1.00 71.11 H new ATOM 0 HD23 LEU A 514 1.379 -2.406 5.001 1.00 71.11 H new ATOM 2154 N TYR A 515 -2.886 -3.892 5.475 1.00 12.34 N ATOM 2155 CA TYR A 515 -4.110 -4.631 5.822 1.00 12.21 C ATOM 2156 C TYR A 515 -4.287 -4.768 7.365 1.00 44.45 C ATOM 2157 O TYR A 515 -3.534 -5.488 8.028 1.00 63.44 O ATOM 2158 CB TYR A 515 -4.085 -6.024 5.127 1.00 34.20 C ATOM 2159 CG TYR A 515 -5.179 -7.002 5.589 1.00 61.21 C ATOM 2160 CD1 TYR A 515 -6.514 -6.597 5.694 1.00 1.24 C ATOM 2161 CD2 TYR A 515 -4.863 -8.320 5.947 1.00 33.41 C ATOM 2162 CE1 TYR A 515 -7.482 -7.468 6.145 1.00 45.20 C ATOM 2163 CE2 TYR A 515 -5.834 -9.192 6.389 1.00 42.12 C ATOM 2164 CZ TYR A 515 -7.138 -8.761 6.491 1.00 72.42 C ATOM 2165 OH TYR A 515 -8.107 -9.630 6.940 1.00 20.41 O ATOM 0 H TYR A 515 -2.188 -4.460 4.995 1.00 12.34 H new ATOM 0 HA TYR A 515 -4.971 -4.068 5.462 1.00 12.21 H new ATOM 0 HB2 TYR A 515 -4.180 -5.878 4.051 1.00 34.20 H new ATOM 0 HB3 TYR A 515 -3.112 -6.483 5.301 1.00 34.20 H new ATOM 0 HD1 TYR A 515 -6.789 -5.590 5.418 1.00 1.24 H new ATOM 0 HD2 TYR A 515 -3.840 -8.658 5.875 1.00 33.41 H new ATOM 0 HE1 TYR A 515 -8.508 -7.141 6.228 1.00 45.20 H new ATOM 0 HE2 TYR A 515 -5.574 -10.206 6.654 1.00 42.12 H new ATOM 0 HH TYR A 515 -8.765 -9.782 6.230 1.00 20.41 H new ATOM 2175 N SER A 516 -5.292 -4.056 7.915 1.00 52.23 N ATOM 2176 CA SER A 516 -5.744 -4.236 9.309 1.00 43.52 C ATOM 2177 C SER A 516 -6.706 -5.436 9.402 1.00 34.13 C ATOM 2178 O SER A 516 -7.881 -5.322 9.045 1.00 31.12 O ATOM 2179 CB SER A 516 -6.433 -2.955 9.845 1.00 34.43 C ATOM 2180 OG SER A 516 -5.502 -1.897 9.999 1.00 21.25 O ATOM 0 H SER A 516 -5.812 -3.341 7.406 1.00 52.23 H new ATOM 0 HA SER A 516 -4.868 -4.431 9.927 1.00 43.52 H new ATOM 0 HB2 SER A 516 -7.223 -2.650 9.159 1.00 34.43 H new ATOM 0 HB3 SER A 516 -6.907 -3.168 10.803 1.00 34.43 H new ATOM 0 HG SER A 516 -5.925 -1.157 10.483 1.00 21.25 H new ATOM 2186 N SER A 517 -6.179 -6.586 9.857 1.00 22.42 N ATOM 2187 CA SER A 517 -6.959 -7.841 10.033 1.00 75.04 C ATOM 2188 C SER A 517 -8.071 -7.692 11.102 1.00 11.32 C ATOM 2189 O SER A 517 -9.115 -8.351 11.029 1.00 15.40 O ATOM 2190 CB SER A 517 -6.000 -8.995 10.415 1.00 64.41 C ATOM 2191 OG SER A 517 -5.304 -8.706 11.622 1.00 41.34 O ATOM 0 H SER A 517 -5.197 -6.680 10.116 1.00 22.42 H new ATOM 0 HA SER A 517 -7.452 -8.066 9.087 1.00 75.04 H new ATOM 0 HB2 SER A 517 -6.566 -9.919 10.531 1.00 64.41 H new ATOM 0 HB3 SER A 517 -5.284 -9.159 9.609 1.00 64.41 H new ATOM 0 HG SER A 517 -4.707 -9.451 11.842 1.00 41.34 H new ATOM 2197 N LYS A 518 -7.812 -6.816 12.089 1.00 43.04 N ATOM 2198 CA LYS A 518 -8.750 -6.508 13.198 1.00 52.34 C ATOM 2199 C LYS A 518 -10.047 -5.815 12.696 1.00 23.41 C ATOM 2200 O LYS A 518 -11.112 -5.945 13.308 1.00 31.35 O ATOM 2201 CB LYS A 518 -8.022 -5.609 14.229 1.00 2.10 C ATOM 2202 CG LYS A 518 -6.739 -6.242 14.815 1.00 34.43 C ATOM 2203 CD LYS A 518 -5.934 -5.281 15.718 1.00 54.35 C ATOM 2204 CE LYS A 518 -6.689 -4.854 16.991 1.00 42.52 C ATOM 2205 NZ LYS A 518 -5.846 -4.006 17.876 1.00 54.02 N ATOM 0 H LYS A 518 -6.938 -6.293 12.145 1.00 43.04 H new ATOM 0 HA LYS A 518 -9.056 -7.446 13.662 1.00 52.34 H new ATOM 0 HB2 LYS A 518 -7.764 -4.663 13.753 1.00 2.10 H new ATOM 0 HB3 LYS A 518 -8.708 -5.379 15.045 1.00 2.10 H new ATOM 0 HG2 LYS A 518 -7.010 -7.127 15.391 1.00 34.43 H new ATOM 0 HG3 LYS A 518 -6.102 -6.577 13.996 1.00 34.43 H new ATOM 0 HD2 LYS A 518 -4.999 -5.762 16.004 1.00 54.35 H new ATOM 0 HD3 LYS A 518 -5.672 -4.391 15.145 1.00 54.35 H new ATOM 0 HE2 LYS A 518 -7.589 -4.306 16.713 1.00 42.52 H new ATOM 0 HE3 LYS A 518 -7.011 -5.741 17.537 1.00 42.52 H new ATOM 0 HZ1 LYS A 518 -6.389 -3.739 18.722 1.00 54.02 H new ATOM 0 HZ2 LYS A 518 -4.999 -4.538 18.162 1.00 54.02 H new ATOM 0 HZ3 LYS A 518 -5.559 -3.148 17.364 1.00 54.02 H new ATOM 2219 N LYS A 519 -9.935 -5.066 11.584 1.00 11.32 N ATOM 2220 CA LYS A 519 -11.069 -4.341 10.950 1.00 53.33 C ATOM 2221 C LYS A 519 -11.449 -4.937 9.565 1.00 22.33 C ATOM 2222 O LYS A 519 -12.464 -4.540 8.981 1.00 34.01 O ATOM 2223 CB LYS A 519 -10.694 -2.843 10.802 1.00 13.13 C ATOM 2224 CG LYS A 519 -10.543 -2.066 12.132 1.00 33.51 C ATOM 2225 CD LYS A 519 -11.885 -1.906 12.891 1.00 65.40 C ATOM 2226 CE LYS A 519 -11.750 -1.049 14.161 1.00 73.25 C ATOM 2227 NZ LYS A 519 -13.062 -0.808 14.818 1.00 74.23 N ATOM 0 H LYS A 519 -9.051 -4.941 11.091 1.00 11.32 H new ATOM 0 HA LYS A 519 -11.942 -4.450 11.594 1.00 53.33 H new ATOM 0 HB2 LYS A 519 -9.756 -2.773 10.250 1.00 13.13 H new ATOM 0 HB3 LYS A 519 -11.457 -2.352 10.198 1.00 13.13 H new ATOM 0 HG2 LYS A 519 -9.829 -2.585 12.771 1.00 33.51 H new ATOM 0 HG3 LYS A 519 -10.128 -1.079 11.926 1.00 33.51 H new ATOM 0 HD2 LYS A 519 -12.621 -1.452 12.228 1.00 65.40 H new ATOM 0 HD3 LYS A 519 -12.265 -2.891 13.161 1.00 65.40 H new ATOM 0 HE2 LYS A 519 -11.080 -1.546 14.863 1.00 73.25 H new ATOM 0 HE3 LYS A 519 -11.293 -0.093 13.905 1.00 73.25 H new ATOM 0 HZ1 LYS A 519 -12.923 -0.227 15.669 1.00 74.23 H new ATOM 0 HZ2 LYS A 519 -13.694 -0.311 14.159 1.00 74.23 H new ATOM 0 HZ3 LYS A 519 -13.488 -1.718 15.086 1.00 74.23 H new ATOM 2241 N LYS A 520 -10.607 -5.873 9.054 1.00 71.42 N ATOM 2242 CA LYS A 520 -10.749 -6.510 7.706 1.00 61.13 C ATOM 2243 C LYS A 520 -10.611 -5.505 6.525 1.00 34.32 C ATOM 2244 O LYS A 520 -10.908 -5.847 5.370 1.00 11.11 O ATOM 2245 CB LYS A 520 -12.079 -7.320 7.592 1.00 52.21 C ATOM 2246 CG LYS A 520 -12.179 -8.528 8.548 1.00 75.15 C ATOM 2247 CD LYS A 520 -11.061 -9.570 8.310 1.00 12.14 C ATOM 2248 CE LYS A 520 -11.249 -10.842 9.152 1.00 2.31 C ATOM 2249 NZ LYS A 520 -12.500 -11.564 8.791 1.00 71.41 N ATOM 0 H LYS A 520 -9.797 -6.215 9.570 1.00 71.42 H new ATOM 0 HA LYS A 520 -9.911 -7.202 7.620 1.00 61.13 H new ATOM 0 HB2 LYS A 520 -12.916 -6.649 7.787 1.00 52.21 H new ATOM 0 HB3 LYS A 520 -12.187 -7.675 6.567 1.00 52.21 H new ATOM 0 HG2 LYS A 520 -12.129 -8.176 9.578 1.00 75.15 H new ATOM 0 HG3 LYS A 520 -13.150 -9.007 8.422 1.00 75.15 H new ATOM 0 HD2 LYS A 520 -11.038 -9.838 7.254 1.00 12.14 H new ATOM 0 HD3 LYS A 520 -10.096 -9.122 8.546 1.00 12.14 H new ATOM 0 HE2 LYS A 520 -10.394 -11.502 9.009 1.00 2.31 H new ATOM 0 HE3 LYS A 520 -11.274 -10.578 10.209 1.00 2.31 H new ATOM 0 HZ1 LYS A 520 -12.493 -12.509 9.226 1.00 71.41 H new ATOM 0 HZ2 LYS A 520 -13.322 -11.029 9.137 1.00 71.41 H new ATOM 0 HZ3 LYS A 520 -12.560 -11.659 7.757 1.00 71.41 H new ATOM 2263 N ILE A 521 -10.105 -4.288 6.808 1.00 75.12 N ATOM 2264 CA ILE A 521 -9.947 -3.218 5.793 1.00 60.32 C ATOM 2265 C ILE A 521 -8.453 -2.961 5.496 1.00 50.55 C ATOM 2266 O ILE A 521 -7.587 -3.177 6.352 1.00 75.41 O ATOM 2267 CB ILE A 521 -10.652 -1.878 6.243 1.00 51.54 C ATOM 2268 CG1 ILE A 521 -10.008 -1.316 7.556 1.00 35.02 C ATOM 2269 CG2 ILE A 521 -12.181 -2.088 6.398 1.00 72.04 C ATOM 2270 CD1 ILE A 521 -10.701 -0.100 8.161 1.00 23.33 C ATOM 0 H ILE A 521 -9.795 -4.016 7.741 1.00 75.12 H new ATOM 0 HA ILE A 521 -10.434 -3.562 4.881 1.00 60.32 H new ATOM 0 HB ILE A 521 -10.499 -1.132 5.463 1.00 51.54 H new ATOM 0 HG12 ILE A 521 -9.993 -2.111 8.301 1.00 35.02 H new ATOM 0 HG13 ILE A 521 -8.971 -1.054 7.348 1.00 35.02 H new ATOM 0 HG21 ILE A 521 -12.647 -1.153 6.708 1.00 72.04 H new ATOM 0 HG22 ILE A 521 -12.603 -2.405 5.444 1.00 72.04 H new ATOM 0 HG23 ILE A 521 -12.369 -2.854 7.150 1.00 72.04 H new ATOM 0 HD11 ILE A 521 -10.175 0.207 9.065 1.00 23.33 H new ATOM 0 HD12 ILE A 521 -10.693 0.719 7.441 1.00 23.33 H new ATOM 0 HD13 ILE A 521 -11.731 -0.355 8.410 1.00 23.33 H new ATOM 2282 N PHE A 522 -8.168 -2.503 4.273 1.00 44.13 N ATOM 2283 CA PHE A 522 -6.801 -2.183 3.825 1.00 3.43 C ATOM 2284 C PHE A 522 -6.519 -0.678 4.047 1.00 12.42 C ATOM 2285 O PHE A 522 -7.075 0.175 3.353 1.00 4.45 O ATOM 2286 CB PHE A 522 -6.639 -2.588 2.333 1.00 22.42 C ATOM 2287 CG PHE A 522 -6.745 -4.099 2.083 1.00 71.01 C ATOM 2288 CD1 PHE A 522 -7.987 -4.742 2.058 1.00 40.31 C ATOM 2289 CD2 PHE A 522 -5.604 -4.878 1.883 1.00 23.04 C ATOM 2290 CE1 PHE A 522 -8.079 -6.104 1.841 1.00 34.21 C ATOM 2291 CE2 PHE A 522 -5.700 -6.242 1.667 1.00 61.11 C ATOM 2292 CZ PHE A 522 -6.936 -6.854 1.646 1.00 1.31 C ATOM 0 H PHE A 522 -8.879 -2.342 3.560 1.00 44.13 H new ATOM 0 HA PHE A 522 -6.072 -2.746 4.408 1.00 3.43 H new ATOM 0 HB2 PHE A 522 -7.401 -2.078 1.744 1.00 22.42 H new ATOM 0 HB3 PHE A 522 -5.671 -2.237 1.975 1.00 22.42 H new ATOM 0 HD1 PHE A 522 -8.888 -4.166 2.211 1.00 40.31 H new ATOM 0 HD2 PHE A 522 -4.631 -4.409 1.897 1.00 23.04 H new ATOM 0 HE1 PHE A 522 -9.047 -6.583 1.824 1.00 34.21 H new ATOM 0 HE2 PHE A 522 -4.806 -6.828 1.515 1.00 61.11 H new ATOM 0 HZ PHE A 522 -7.010 -7.918 1.477 1.00 1.31 H new ATOM 2302 N MET A 523 -5.676 -0.370 5.049 1.00 14.51 N ATOM 2303 CA MET A 523 -5.315 1.029 5.418 1.00 4.13 C ATOM 2304 C MET A 523 -4.314 1.654 4.415 1.00 74.10 C ATOM 2305 O MET A 523 -3.690 0.954 3.624 1.00 51.23 O ATOM 2306 CB MET A 523 -4.686 1.063 6.840 1.00 53.12 C ATOM 2307 CG MET A 523 -5.592 0.557 7.969 1.00 42.40 C ATOM 2308 SD MET A 523 -7.004 1.638 8.290 1.00 52.55 S ATOM 2309 CE MET A 523 -7.629 0.947 9.829 1.00 40.41 C ATOM 0 H MET A 523 -5.222 -1.075 5.630 1.00 14.51 H new ATOM 0 HA MET A 523 -6.235 1.613 5.396 1.00 4.13 H new ATOM 0 HB2 MET A 523 -3.775 0.464 6.831 1.00 53.12 H new ATOM 0 HB3 MET A 523 -4.391 2.088 7.065 1.00 53.12 H new ATOM 0 HG2 MET A 523 -5.956 -0.439 7.715 1.00 42.40 H new ATOM 0 HG3 MET A 523 -5.004 0.459 8.881 1.00 42.40 H new ATOM 0 HE1 MET A 523 -8.503 1.512 10.153 1.00 40.41 H new ATOM 0 HE2 MET A 523 -7.907 -0.095 9.673 1.00 40.41 H new ATOM 0 HE3 MET A 523 -6.855 1.005 10.595 1.00 40.41 H new ATOM 2319 N GLY A 524 -4.166 2.983 4.484 1.00 32.24 N ATOM 2320 CA GLY A 524 -3.180 3.727 3.690 1.00 41.31 C ATOM 2321 C GLY A 524 -2.461 4.793 4.530 1.00 44.42 C ATOM 2322 O GLY A 524 -3.102 5.512 5.303 1.00 31.42 O ATOM 0 H GLY A 524 -4.729 3.575 5.095 1.00 32.24 H new ATOM 0 HA2 GLY A 524 -2.447 3.034 3.278 1.00 41.31 H new ATOM 0 HA3 GLY A 524 -3.678 4.204 2.846 1.00 41.31 H new ATOM 2326 N LEU A 525 -1.126 4.893 4.393 1.00 33.30 N ATOM 2327 CA LEU A 525 -0.290 5.880 5.126 1.00 4.33 C ATOM 2328 C LEU A 525 0.579 6.685 4.144 1.00 1.52 C ATOM 2329 O LEU A 525 1.506 6.135 3.555 1.00 42.10 O ATOM 2330 CB LEU A 525 0.600 5.148 6.176 1.00 41.13 C ATOM 2331 CG LEU A 525 -0.145 4.647 7.457 1.00 45.23 C ATOM 2332 CD1 LEU A 525 0.749 3.735 8.313 1.00 33.52 C ATOM 2333 CD2 LEU A 525 -0.661 5.841 8.295 1.00 62.43 C ATOM 0 H LEU A 525 -0.588 4.291 3.769 1.00 33.30 H new ATOM 0 HA LEU A 525 -0.945 6.577 5.649 1.00 4.33 H new ATOM 0 HB2 LEU A 525 1.072 4.292 5.693 1.00 41.13 H new ATOM 0 HB3 LEU A 525 1.400 5.822 6.482 1.00 41.13 H new ATOM 0 HG LEU A 525 -1.001 4.058 7.127 1.00 45.23 H new ATOM 0 HD11 LEU A 525 0.197 3.407 9.194 1.00 33.52 H new ATOM 0 HD12 LEU A 525 1.048 2.865 7.728 1.00 33.52 H new ATOM 0 HD13 LEU A 525 1.637 4.285 8.625 1.00 33.52 H new ATOM 0 HD21 LEU A 525 -1.176 5.468 9.181 1.00 62.43 H new ATOM 0 HD22 LEU A 525 0.181 6.463 8.599 1.00 62.43 H new ATOM 0 HD23 LEU A 525 -1.352 6.434 7.696 1.00 62.43 H new ATOM 2345 N ILE A 526 0.264 7.985 3.965 1.00 62.32 N ATOM 2346 CA ILE A 526 1.017 8.896 3.072 1.00 13.43 C ATOM 2347 C ILE A 526 2.039 9.735 3.895 1.00 41.40 C ATOM 2348 O ILE A 526 1.667 10.768 4.468 1.00 22.12 O ATOM 2349 CB ILE A 526 0.052 9.877 2.290 1.00 10.01 C ATOM 2350 CG1 ILE A 526 -1.124 9.097 1.615 1.00 3.20 C ATOM 2351 CG2 ILE A 526 0.850 10.709 1.249 1.00 34.45 C ATOM 2352 CD1 ILE A 526 -2.170 9.978 0.940 1.00 11.43 C ATOM 0 H ILE A 526 -0.521 8.435 4.436 1.00 62.32 H new ATOM 0 HA ILE A 526 1.543 8.277 2.346 1.00 13.43 H new ATOM 0 HB ILE A 526 -0.388 10.567 3.010 1.00 10.01 H new ATOM 0 HG12 ILE A 526 -0.710 8.414 0.873 1.00 3.20 H new ATOM 0 HG13 ILE A 526 -1.617 8.485 2.371 1.00 3.20 H new ATOM 0 HG21 ILE A 526 0.171 11.378 0.720 1.00 34.45 H new ATOM 0 HG22 ILE A 526 1.613 11.296 1.760 1.00 34.45 H new ATOM 0 HG23 ILE A 526 1.327 10.038 0.535 1.00 34.45 H new ATOM 0 HD11 ILE A 526 -2.945 9.351 0.500 1.00 11.43 H new ATOM 0 HD12 ILE A 526 -2.617 10.643 1.679 1.00 11.43 H new ATOM 0 HD13 ILE A 526 -1.696 10.571 0.158 1.00 11.43 H new ATOM 2364 N PRO A 527 3.340 9.312 3.984 1.00 24.14 N ATOM 2365 CA PRO A 527 4.355 10.045 4.782 1.00 35.32 C ATOM 2366 C PRO A 527 4.773 11.373 4.106 1.00 42.20 C ATOM 2367 O PRO A 527 5.253 11.369 2.979 1.00 34.35 O ATOM 2368 CB PRO A 527 5.530 9.035 4.865 1.00 63.41 C ATOM 2369 CG PRO A 527 5.410 8.219 3.613 1.00 24.43 C ATOM 2370 CD PRO A 527 3.926 8.115 3.316 1.00 44.51 C ATOM 0 HA PRO A 527 3.989 10.350 5.762 1.00 35.32 H new ATOM 0 HB2 PRO A 527 6.491 9.547 4.915 1.00 63.41 H new ATOM 0 HB3 PRO A 527 5.455 8.410 5.755 1.00 63.41 H new ATOM 0 HG2 PRO A 527 5.940 8.693 2.787 1.00 24.43 H new ATOM 0 HG3 PRO A 527 5.850 7.231 3.749 1.00 24.43 H new ATOM 0 HD2 PRO A 527 3.732 8.122 2.243 1.00 44.51 H new ATOM 0 HD3 PRO A 527 3.504 7.191 3.711 1.00 44.51 H new ATOM 2378 N TYR A 528 4.573 12.511 4.793 1.00 34.23 N ATOM 2379 CA TYR A 528 4.992 13.849 4.280 1.00 74.01 C ATOM 2380 C TYR A 528 6.519 13.904 4.026 1.00 43.22 C ATOM 2381 O TYR A 528 7.000 14.687 3.200 1.00 15.13 O ATOM 2382 CB TYR A 528 4.530 14.969 5.249 1.00 54.53 C ATOM 2383 CG TYR A 528 3.008 15.203 5.232 1.00 2.13 C ATOM 2384 CD1 TYR A 528 2.123 14.252 5.745 1.00 33.32 C ATOM 2385 CD2 TYR A 528 2.457 16.367 4.682 1.00 33.21 C ATOM 2386 CE1 TYR A 528 0.758 14.448 5.710 1.00 40.22 C ATOM 2387 CE2 TYR A 528 1.091 16.568 4.648 1.00 32.35 C ATOM 2388 CZ TYR A 528 0.245 15.606 5.163 1.00 22.53 C ATOM 2389 OH TYR A 528 -1.119 15.809 5.130 1.00 52.35 O ATOM 0 H TYR A 528 4.124 12.542 5.708 1.00 34.23 H new ATOM 0 HA TYR A 528 4.505 14.015 3.319 1.00 74.01 H new ATOM 0 HB2 TYR A 528 4.839 14.713 6.262 1.00 54.53 H new ATOM 0 HB3 TYR A 528 5.036 15.898 4.986 1.00 54.53 H new ATOM 0 HD1 TYR A 528 2.516 13.344 6.178 1.00 33.32 H new ATOM 0 HD2 TYR A 528 3.113 17.123 4.276 1.00 33.21 H new ATOM 0 HE1 TYR A 528 0.093 13.697 6.110 1.00 40.22 H new ATOM 0 HE2 TYR A 528 0.686 17.474 4.221 1.00 32.35 H new ATOM 0 HH TYR A 528 -1.311 16.675 4.713 1.00 52.35 H new ATOM 2399 N ASP A 529 7.261 13.036 4.730 1.00 41.40 N ATOM 2400 CA ASP A 529 8.676 12.741 4.442 1.00 11.12 C ATOM 2401 C ASP A 529 8.779 11.732 3.257 1.00 30.04 C ATOM 2402 O ASP A 529 9.330 10.632 3.390 1.00 14.34 O ATOM 2403 CB ASP A 529 9.346 12.192 5.728 1.00 63.10 C ATOM 2404 CG ASP A 529 9.207 13.164 6.911 1.00 74.13 C ATOM 2405 OD1 ASP A 529 8.174 13.118 7.620 1.00 51.22 O ATOM 2406 OD2 ASP A 529 10.108 14.007 7.112 1.00 2.44 O ATOM 0 H ASP A 529 6.893 12.513 5.524 1.00 41.40 H new ATOM 0 HA ASP A 529 9.200 13.649 4.142 1.00 11.12 H new ATOM 0 HB2 ASP A 529 8.896 11.235 5.991 1.00 63.10 H new ATOM 0 HB3 ASP A 529 10.402 12.005 5.535 1.00 63.10 H new ATOM 2411 N GLN A 530 8.243 12.147 2.088 1.00 62.34 N ATOM 2412 CA GLN A 530 8.148 11.312 0.862 1.00 54.23 C ATOM 2413 C GLN A 530 9.532 10.859 0.344 1.00 60.43 C ATOM 2414 O GLN A 530 9.709 9.693 -0.013 1.00 52.25 O ATOM 2415 CB GLN A 530 7.388 12.096 -0.252 1.00 72.34 C ATOM 2416 CG GLN A 530 5.857 12.188 -0.071 1.00 71.13 C ATOM 2417 CD GLN A 530 5.137 10.876 -0.416 1.00 71.32 C ATOM 2418 OE1 GLN A 530 4.765 10.648 -1.549 1.00 12.25 O ATOM 2419 NE2 GLN A 530 4.945 9.998 0.544 1.00 52.25 N ATOM 0 H GLN A 530 7.858 13.083 1.964 1.00 62.34 H new ATOM 0 HA GLN A 530 7.596 10.410 1.125 1.00 54.23 H new ATOM 0 HB2 GLN A 530 7.792 13.107 -0.301 1.00 72.34 H new ATOM 0 HB3 GLN A 530 7.595 11.623 -1.212 1.00 72.34 H new ATOM 0 HG2 GLN A 530 5.633 12.459 0.961 1.00 71.13 H new ATOM 0 HG3 GLN A 530 5.468 12.987 -0.702 1.00 71.13 H new ATOM 0 HE21 GLN A 530 5.262 10.201 1.492 1.00 52.25 H new ATOM 0 HE22 GLN A 530 4.479 9.114 0.341 1.00 52.25 H new ATOM 2428 N SER A 531 10.498 11.794 0.297 1.00 72.51 N ATOM 2429 CA SER A 531 11.878 11.501 -0.171 1.00 4.40 C ATOM 2430 C SER A 531 12.591 10.505 0.769 1.00 32.43 C ATOM 2431 O SER A 531 13.086 9.473 0.315 1.00 51.44 O ATOM 2432 CB SER A 531 12.698 12.803 -0.302 1.00 60.54 C ATOM 2433 OG SER A 531 12.125 13.675 -1.263 1.00 55.52 O ATOM 0 H SER A 531 10.354 12.764 0.577 1.00 72.51 H new ATOM 0 HA SER A 531 11.803 11.038 -1.155 1.00 4.40 H new ATOM 0 HB2 SER A 531 12.747 13.304 0.665 1.00 60.54 H new ATOM 0 HB3 SER A 531 13.722 12.564 -0.589 1.00 60.54 H new ATOM 0 HG SER A 531 12.663 14.492 -1.325 1.00 55.52 H new ATOM 2439 N GLY A 532 12.591 10.812 2.085 1.00 40.14 N ATOM 2440 CA GLY A 532 13.214 9.944 3.107 1.00 10.11 C ATOM 2441 C GLY A 532 12.589 8.540 3.187 1.00 12.21 C ATOM 2442 O GLY A 532 13.273 7.560 3.516 1.00 23.11 O ATOM 0 H GLY A 532 12.165 11.657 2.465 1.00 40.14 H new ATOM 0 HA2 GLY A 532 14.278 9.847 2.890 1.00 10.11 H new ATOM 0 HA3 GLY A 532 13.130 10.426 4.081 1.00 10.11 H new ATOM 2446 N PHE A 533 11.280 8.455 2.872 1.00 60.45 N ATOM 2447 CA PHE A 533 10.542 7.176 2.833 1.00 72.22 C ATOM 2448 C PHE A 533 11.009 6.294 1.652 1.00 73.40 C ATOM 2449 O PHE A 533 11.348 5.133 1.853 1.00 52.05 O ATOM 2450 CB PHE A 533 9.019 7.428 2.744 1.00 31.20 C ATOM 2451 CG PHE A 533 8.174 6.149 2.758 1.00 4.43 C ATOM 2452 CD1 PHE A 533 8.036 5.402 3.929 1.00 31.43 C ATOM 2453 CD2 PHE A 533 7.522 5.697 1.607 1.00 61.55 C ATOM 2454 CE1 PHE A 533 7.274 4.249 3.948 1.00 45.13 C ATOM 2455 CE2 PHE A 533 6.762 4.542 1.630 1.00 15.53 C ATOM 2456 CZ PHE A 533 6.640 3.822 2.798 1.00 42.43 C ATOM 0 H PHE A 533 10.708 9.266 2.639 1.00 60.45 H new ATOM 0 HA PHE A 533 10.756 6.642 3.759 1.00 72.22 H new ATOM 0 HB2 PHE A 533 8.716 8.060 3.579 1.00 31.20 H new ATOM 0 HB3 PHE A 533 8.806 7.982 1.830 1.00 31.20 H new ATOM 0 HD1 PHE A 533 8.531 5.729 4.832 1.00 31.43 H new ATOM 0 HD2 PHE A 533 7.613 6.257 0.688 1.00 61.55 H new ATOM 0 HE1 PHE A 533 7.174 3.682 4.862 1.00 45.13 H new ATOM 0 HE2 PHE A 533 6.264 4.205 0.733 1.00 15.53 H new ATOM 0 HZ PHE A 533 6.046 2.920 2.814 1.00 42.43 H new ATOM 2466 N VAL A 534 11.028 6.871 0.428 1.00 45.30 N ATOM 2467 CA VAL A 534 11.477 6.160 -0.803 1.00 21.00 C ATOM 2468 C VAL A 534 12.949 5.689 -0.681 1.00 1.15 C ATOM 2469 O VAL A 534 13.295 4.609 -1.152 1.00 71.24 O ATOM 2470 CB VAL A 534 11.297 7.066 -2.090 1.00 70.33 C ATOM 2471 CG1 VAL A 534 11.921 6.427 -3.363 1.00 73.30 C ATOM 2472 CG2 VAL A 534 9.805 7.386 -2.333 1.00 11.11 C ATOM 0 H VAL A 534 10.736 7.834 0.261 1.00 45.30 H new ATOM 0 HA VAL A 534 10.845 5.279 -0.912 1.00 21.00 H new ATOM 0 HB VAL A 534 11.836 7.993 -1.895 1.00 70.33 H new ATOM 0 HG11 VAL A 534 11.769 7.090 -4.215 1.00 73.30 H new ATOM 0 HG12 VAL A 534 12.989 6.275 -3.208 1.00 73.30 H new ATOM 0 HG13 VAL A 534 11.443 5.467 -3.560 1.00 73.30 H new ATOM 0 HG21 VAL A 534 9.707 8.009 -3.222 1.00 11.11 H new ATOM 0 HG22 VAL A 534 9.253 6.458 -2.478 1.00 11.11 H new ATOM 0 HG23 VAL A 534 9.402 7.917 -1.471 1.00 11.11 H new ATOM 2482 N ASN A 535 13.792 6.508 -0.025 1.00 30.34 N ATOM 2483 CA ASN A 535 15.206 6.160 0.274 1.00 32.32 C ATOM 2484 C ASN A 535 15.307 4.927 1.214 1.00 52.42 C ATOM 2485 O ASN A 535 16.222 4.105 1.069 1.00 50.23 O ATOM 2486 CB ASN A 535 15.939 7.392 0.879 1.00 74.30 C ATOM 2487 CG ASN A 535 16.137 8.534 -0.130 1.00 34.41 C ATOM 2488 OD1 ASN A 535 15.395 8.671 -1.094 1.00 32.34 O ATOM 2489 ND2 ASN A 535 17.137 9.369 0.088 1.00 52.12 N ATOM 0 H ASN A 535 13.519 7.430 0.315 1.00 30.34 H new ATOM 0 HA ASN A 535 15.695 5.886 -0.661 1.00 32.32 H new ATOM 0 HB2 ASN A 535 15.369 7.763 1.731 1.00 74.30 H new ATOM 0 HB3 ASN A 535 16.912 7.078 1.258 1.00 74.30 H new ATOM 0 HD21 ASN A 535 17.302 10.145 -0.553 1.00 52.12 H new ATOM 0 HD22 ASN A 535 17.744 9.238 0.897 1.00 52.12 H new ATOM 2496 N GLY A 536 14.352 4.802 2.157 1.00 2.22 N ATOM 2497 CA GLY A 536 14.232 3.599 3.001 1.00 12.02 C ATOM 2498 C GLY A 536 13.736 2.372 2.212 1.00 73.43 C ATOM 2499 O GLY A 536 14.317 1.287 2.305 1.00 65.20 O ATOM 0 H GLY A 536 13.654 5.519 2.352 1.00 2.22 H new ATOM 0 HA2 GLY A 536 15.201 3.373 3.446 1.00 12.02 H new ATOM 0 HA3 GLY A 536 13.544 3.802 3.822 1.00 12.02 H new ATOM 2503 N ILE A 537 12.677 2.577 1.401 1.00 70.25 N ATOM 2504 CA ILE A 537 12.070 1.532 0.533 1.00 32.20 C ATOM 2505 C ILE A 537 13.086 0.983 -0.495 1.00 4.51 C ATOM 2506 O ILE A 537 13.108 -0.210 -0.778 1.00 2.33 O ATOM 2507 CB ILE A 537 10.798 2.106 -0.213 1.00 33.14 C ATOM 2508 CG1 ILE A 537 9.704 2.526 0.814 1.00 44.43 C ATOM 2509 CG2 ILE A 537 10.208 1.113 -1.250 1.00 13.42 C ATOM 2510 CD1 ILE A 537 9.163 1.389 1.664 1.00 3.52 C ATOM 0 H ILE A 537 12.210 3.481 1.326 1.00 70.25 H new ATOM 0 HA ILE A 537 11.766 0.706 1.176 1.00 32.20 H new ATOM 0 HB ILE A 537 11.131 2.984 -0.767 1.00 33.14 H new ATOM 0 HG12 ILE A 537 10.117 3.290 1.473 1.00 44.43 H new ATOM 0 HG13 ILE A 537 8.875 2.985 0.275 1.00 44.43 H new ATOM 0 HG21 ILE A 537 9.338 1.562 -1.729 1.00 13.42 H new ATOM 0 HG22 ILE A 537 10.961 0.885 -2.005 1.00 13.42 H new ATOM 0 HG23 ILE A 537 9.910 0.194 -0.745 1.00 13.42 H new ATOM 0 HD11 ILE A 537 8.408 1.774 2.349 1.00 3.52 H new ATOM 0 HD12 ILE A 537 8.716 0.633 1.018 1.00 3.52 H new ATOM 0 HD13 ILE A 537 9.977 0.943 2.235 1.00 3.52 H new ATOM 2522 N ARG A 538 13.960 1.874 -0.977 1.00 32.01 N ATOM 2523 CA ARG A 538 14.994 1.581 -1.996 1.00 14.41 C ATOM 2524 C ARG A 538 15.972 0.468 -1.509 1.00 42.04 C ATOM 2525 O ARG A 538 16.530 -0.286 -2.309 1.00 13.52 O ATOM 2526 CB ARG A 538 15.743 2.910 -2.310 1.00 20.41 C ATOM 2527 CG ARG A 538 16.536 2.939 -3.633 1.00 73.43 C ATOM 2528 CD ARG A 538 17.147 4.332 -3.913 1.00 61.34 C ATOM 2529 NE ARG A 538 17.802 4.417 -5.231 1.00 63.55 N ATOM 2530 CZ ARG A 538 18.452 5.468 -5.694 1.00 0.21 C ATOM 2531 NH1 ARG A 538 18.586 6.552 -4.991 1.00 21.05 N ATOM 2532 NH2 ARG A 538 18.956 5.427 -6.881 1.00 23.41 N ATOM 0 H ARG A 538 13.974 2.845 -0.666 1.00 32.01 H new ATOM 0 HA ARG A 538 14.528 1.197 -2.904 1.00 14.41 H new ATOM 0 HB2 ARG A 538 15.014 3.720 -2.328 1.00 20.41 H new ATOM 0 HB3 ARG A 538 16.432 3.119 -1.491 1.00 20.41 H new ATOM 0 HG2 ARG A 538 17.332 2.195 -3.595 1.00 73.43 H new ATOM 0 HG3 ARG A 538 15.878 2.660 -4.456 1.00 73.43 H new ATOM 0 HD2 ARG A 538 16.362 5.086 -3.854 1.00 61.34 H new ATOM 0 HD3 ARG A 538 17.874 4.567 -3.136 1.00 61.34 H new ATOM 0 HE ARG A 538 17.748 3.596 -5.834 1.00 63.55 H new ATOM 0 HH11 ARG A 538 18.183 6.606 -4.055 1.00 21.05 H new ATOM 0 HH12 ARG A 538 19.094 7.349 -5.375 1.00 21.05 H new ATOM 0 HH21 ARG A 538 18.850 4.588 -7.451 1.00 23.41 H new ATOM 0 HH22 ARG A 538 19.460 6.234 -7.249 1.00 23.41 H new ATOM 2546 N GLN A 539 16.140 0.385 -0.176 1.00 65.41 N ATOM 2547 CA GLN A 539 16.950 -0.657 0.508 1.00 10.12 C ATOM 2548 C GLN A 539 16.141 -1.978 0.690 1.00 25.12 C ATOM 2549 O GLN A 539 16.697 -3.078 0.634 1.00 60.40 O ATOM 2550 CB GLN A 539 17.397 -0.104 1.890 1.00 72.03 C ATOM 2551 CG GLN A 539 18.152 1.245 1.808 1.00 44.25 C ATOM 2552 CD GLN A 539 18.340 1.950 3.157 1.00 62.53 C ATOM 2553 OE1 GLN A 539 18.441 1.318 4.203 1.00 0.10 O ATOM 2554 NE2 GLN A 539 18.388 3.270 3.141 1.00 1.15 N ATOM 0 H GLN A 539 15.713 1.047 0.472 1.00 65.41 H new ATOM 0 HA GLN A 539 17.821 -0.892 -0.104 1.00 10.12 H new ATOM 0 HB2 GLN A 539 16.518 0.020 2.523 1.00 72.03 H new ATOM 0 HB3 GLN A 539 18.038 -0.840 2.375 1.00 72.03 H new ATOM 0 HG2 GLN A 539 19.132 1.072 1.363 1.00 44.25 H new ATOM 0 HG3 GLN A 539 17.609 1.911 1.137 1.00 44.25 H new ATOM 0 HE21 GLN A 539 18.302 3.773 2.258 1.00 1.15 H new ATOM 0 HE22 GLN A 539 18.512 3.786 4.012 1.00 1.15 H new ATOM 2563 N VAL A 540 14.821 -1.831 0.909 1.00 14.34 N ATOM 2564 CA VAL A 540 13.879 -2.960 1.143 1.00 63.35 C ATOM 2565 C VAL A 540 13.584 -3.752 -0.170 1.00 53.45 C ATOM 2566 O VAL A 540 13.325 -4.960 -0.127 1.00 50.15 O ATOM 2567 CB VAL A 540 12.533 -2.419 1.772 1.00 42.15 C ATOM 2568 CG1 VAL A 540 11.541 -3.558 2.099 1.00 74.13 C ATOM 2569 CG2 VAL A 540 12.811 -1.560 3.034 1.00 12.54 C ATOM 0 H VAL A 540 14.366 -0.918 0.930 1.00 14.34 H new ATOM 0 HA VAL A 540 14.353 -3.650 1.841 1.00 63.35 H new ATOM 0 HB VAL A 540 12.065 -1.787 1.017 1.00 42.15 H new ATOM 0 HG11 VAL A 540 10.632 -3.137 2.529 1.00 74.13 H new ATOM 0 HG12 VAL A 540 11.294 -4.099 1.185 1.00 74.13 H new ATOM 0 HG13 VAL A 540 11.997 -4.243 2.814 1.00 74.13 H new ATOM 0 HG21 VAL A 540 11.867 -1.201 3.445 1.00 12.54 H new ATOM 0 HG22 VAL A 540 13.325 -2.166 3.780 1.00 12.54 H new ATOM 0 HG23 VAL A 540 13.436 -0.709 2.764 1.00 12.54 H new